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/nfs/dbraw/zinc/98/90/72/374989072.db2.gz SNFIPVKXBCOABQ-ZJUUUORDSA-N 1 0 330.410 -1.120 20 0 EAADRO Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000237805029 415264185 /nfs/dbraw/zinc/26/41/85/415264185.db2.gz SNFIPVKXBCOABQ-UWVGGRQHSA-N 1 0 330.410 -1.120 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@@H]1C[NH3+])c(=O)n2C ZINC000237818703 414926505 /nfs/dbraw/zinc/92/65/05/414926505.db2.gz LJJOTVMUCKCKED-SNVBAGLBSA-N 1 0 334.380 -1.227 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@H]1C[NH3+])c(=O)n2C ZINC000237818732 265293332 /nfs/dbraw/zinc/29/33/32/265293332.db2.gz LJJOTVMUCKCKED-JTQLQIEISA-N 1 0 334.380 -1.227 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)NC1(C[NH3+])CCCC1)c(=O)n2C ZINC000237818912 265055530 /nfs/dbraw/zinc/05/55/30/265055530.db2.gz GHWSERDBZZBYSX-UHFFFAOYSA-N 1 0 334.380 -1.179 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CCC([NH3+])CC1)c(=O)n2C ZINC000237818956 668991103 /nfs/dbraw/zinc/99/11/03/668991103.db2.gz NGZSLBJVQCFFJZ-UHFFFAOYSA-N 1 0 334.380 -1.180 20 0 EAADRO 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/nfs/dbraw/zinc/69/33/74/545693374.db2.gz IVFQPXALULCASG-SNVBAGLBSA-N 1 0 334.380 -1.308 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CCC[NH2+]C1)c(=O)n2C ZINC000237819464 265071353 /nfs/dbraw/zinc/07/13/53/265071353.db2.gz GKRHSKDJSYGAOA-JTQLQIEISA-N 1 0 334.380 -1.451 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c(=O)n2C ZINC000237819572 264940489 /nfs/dbraw/zinc/94/04/89/264940489.db2.gz MEKCXVFKXPDNQN-NXEZZACHSA-N 1 0 334.380 -1.323 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])c(=O)n2C ZINC000237819594 414925595 /nfs/dbraw/zinc/92/55/95/414925595.db2.gz MEKCXVFKXPDNQN-VHSXEESVSA-N 1 0 334.380 -1.323 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@@](C)(C[NH3+])C1CC1)c(=O)n2C ZINC000237819621 265028975 /nfs/dbraw/zinc/02/89/75/265028975.db2.gz BANAQUAFIZAFHI-HNNXBMFYSA-N 1 0 334.380 -1.323 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])c(=O)n2C ZINC000237819702 414925556 /nfs/dbraw/zinc/92/55/56/414925556.db2.gz MEKCXVFKXPDNQN-ZJUUUORDSA-N 1 0 334.380 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/nfs/dbraw/zinc/85/03/15/414850315.db2.gz WEOJOBMOVPDABI-QWHCGFSZSA-N 1 0 338.408 -1.149 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[N@@H+]1C[C@H](C)O ZINC000247010405 265159325 /nfs/dbraw/zinc/15/93/25/265159325.db2.gz WEOJOBMOVPDABI-STQMWFEESA-N 1 0 338.408 -1.149 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000247942533 265070292 /nfs/dbraw/zinc/07/02/92/265070292.db2.gz DDGKLQPWJBTZRI-CVEARBPZSA-N 1 0 340.468 -1.082 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000247942538 265170995 /nfs/dbraw/zinc/17/09/95/265170995.db2.gz DDGKLQPWJBTZRI-HZPDHXFCSA-N 1 0 340.468 -1.082 20 0 EAADRO Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000248613022 414855140 /nfs/dbraw/zinc/85/51/40/414855140.db2.gz LIOJWDOYLDGGDO-GARJFASQSA-N 1 0 327.410 -1.106 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N1C[C@@H]3CC[C@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000248633770 414855076 /nfs/dbraw/zinc/85/50/76/414855076.db2.gz PSRZWONBMFPHFE-DCAQKATOSA-N 1 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CNS(=O)(=O)NCC(=O)N1CCN(CCC(=O)OC)[C@H](C)C1 ZINC000331348180 265338582 /nfs/dbraw/zinc/33/85/82/265338582.db2.gz XBCAPBRHSNMWPX-SNVBAGLBSA-N 1 0 336.414 -1.864 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCO1 ZINC000331380908 415067791 /nfs/dbraw/zinc/06/77/91/415067791.db2.gz ISSLRWFDINVLAU-GVXVVHGQSA-N 1 0 338.408 -1.299 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCO1 ZINC000331380916 415069222 /nfs/dbraw/zinc/06/92/22/415069222.db2.gz ISSLRWFDINVLAU-LOWVWBTDSA-N 1 0 338.408 -1.299 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCO1 ZINC000331380918 374737011 /nfs/dbraw/zinc/73/70/11/374737011.db2.gz ISSLRWFDINVLAU-MDZLAQPJSA-N 1 0 338.408 -1.299 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H]1CO ZINC000331398206 415070607 /nfs/dbraw/zinc/07/06/07/415070607.db2.gz MEFHLZAJKAKMLK-CABNGKKXSA-N 1 0 335.408 -1.098 20 0 EAADRO 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CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331425694 415071187 /nfs/dbraw/zinc/07/11/87/415071187.db2.gz BUNRTPKSQOSZNK-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331425707 265055517 /nfs/dbraw/zinc/05/55/17/265055517.db2.gz BUNRTPKSQOSZNK-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331425708 415071216 /nfs/dbraw/zinc/07/12/16/415071216.db2.gz BUNRTPKSQOSZNK-RYUDHWBXSA-N 1 0 346.453 -1.215 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331425709 415070231 /nfs/dbraw/zinc/07/02/31/415070231.db2.gz BUNRTPKSQOSZNK-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCO1 ZINC000331441406 374736648 /nfs/dbraw/zinc/73/66/48/374736648.db2.gz XQLAPAIWRKVCQT-DRZSPHRISA-N 1 0 338.408 -1.441 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCO1 ZINC000331441411 265228209 /nfs/dbraw/zinc/22/82/09/265228209.db2.gz XQLAPAIWRKVCQT-RTXFEEFZSA-N 1 0 338.408 -1.441 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCO1 ZINC000331441413 415069043 /nfs/dbraw/zinc/06/90/43/415069043.db2.gz XQLAPAIWRKVCQT-UHTWSYAYSA-N 1 0 338.408 -1.441 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000331458605 264691909 /nfs/dbraw/zinc/69/19/09/264691909.db2.gz HVMYGBZMURYPKH-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000331458609 415068037 /nfs/dbraw/zinc/06/80/37/415068037.db2.gz HVMYGBZMURYPKH-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000331458613 265276972 /nfs/dbraw/zinc/27/69/72/265276972.db2.gz HVMYGBZMURYPKH-RYUDHWBXSA-N 1 0 346.453 -1.215 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000331458618 374735867 /nfs/dbraw/zinc/73/58/67/374735867.db2.gz HVMYGBZMURYPKH-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CNC(=O)NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000331471353 265114908 /nfs/dbraw/zinc/11/49/08/265114908.db2.gz CROFJWXETXHHKZ-UHFFFAOYSA-N 1 0 332.368 -1.059 20 0 EAADRO COCC[N@@H+]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000331505713 265169102 /nfs/dbraw/zinc/16/91/02/265169102.db2.gz SPSMGJBLIDNFSB-UHFFFAOYSA-N 1 0 345.425 -1.289 20 0 EAADRO O=C(CN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC000331509547 374738443 /nfs/dbraw/zinc/73/84/43/374738443.db2.gz MCQDCKGBSDEFQT-AWEZNQCLSA-N 1 0 339.440 -1.076 20 0 EAADRO O=C(CN1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC000331509548 264745469 /nfs/dbraw/zinc/74/54/69/264745469.db2.gz MCQDCKGBSDEFQT-CQSZACIVSA-N 1 0 339.440 -1.076 20 0 EAADRO CN1CCO[C@H](C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000331518628 265262265 /nfs/dbraw/zinc/26/22/65/265262265.db2.gz SBUMCAKGRCZFOY-OLZOCXBDSA-N 1 0 349.453 -1.078 20 0 EAADRO CN1CCO[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000331518630 265329766 /nfs/dbraw/zinc/32/97/66/265329766.db2.gz SBUMCAKGRCZFOY-QWHCGFSZSA-N 1 0 349.453 -1.078 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)C[C@H]1N1CCOCC1 ZINC000331541636 265188894 /nfs/dbraw/zinc/18/88/94/265188894.db2.gz FCNWVMOLZDXUHB-HZSPNIEDSA-N 1 0 341.408 -1.303 20 0 EAADRO C[C@@H]1CC2(CN1C(=O)C(=O)NCCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331556884 265290491 /nfs/dbraw/zinc/29/04/91/265290491.db2.gz GCNVSCZQOXYTBC-LLVKDONJSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]1CC2(CN1C(=O)C(=O)NCCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331556917 374738553 /nfs/dbraw/zinc/73/85/53/374738553.db2.gz GCNVSCZQOXYTBC-NSHDSACASA-N 1 0 346.453 -1.358 20 0 EAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2=O)cn1 ZINC000331573408 415067870 /nfs/dbraw/zinc/06/78/70/415067870.db2.gz QHEFKJOYUJMSSF-GFCCVEGCSA-N 1 0 348.407 -1.148 20 0 EAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2=O)cn1 ZINC000331573414 415069713 /nfs/dbraw/zinc/06/97/13/415069713.db2.gz QHEFKJOYUJMSSF-LBPRGKRZSA-N 1 0 348.407 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C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C[NH2+]1 ZINC000331613266 265230061 /nfs/dbraw/zinc/23/00/61/265230061.db2.gz WJQDVYKVAZUVDA-NQBHXWOUSA-N 1 0 348.407 -1.150 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C[NH2+]1 ZINC000331613267 374738853 /nfs/dbraw/zinc/73/88/53/374738853.db2.gz WJQDVYKVAZUVDA-NTZNESFSSA-N 1 0 348.407 -1.150 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C[NH2+]1 ZINC000331613269 415074038 /nfs/dbraw/zinc/07/40/38/415074038.db2.gz WJQDVYKVAZUVDA-WZRBSPASSA-N 1 0 348.407 -1.150 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C[C@H]1[NH3+] ZINC000331616805 415073631 /nfs/dbraw/zinc/07/36/31/415073631.db2.gz DIOASIQSTGKUAR-CMPLNLGQSA-N 1 0 334.380 -1.599 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C[C@@H]1[NH3+] ZINC000331616808 265020986 /nfs/dbraw/zinc/02/09/86/265020986.db2.gz DIOASIQSTGKUAR-JQWIXIFHSA-N 1 0 334.380 -1.599 20 0 EAADRO 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C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000339638372 374585904 /nfs/dbraw/zinc/58/59/04/374585904.db2.gz PYBPHYZNWPCLKS-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000339638512 414929397 /nfs/dbraw/zinc/92/93/97/414929397.db2.gz BUFKKCRTAPIMOG-CYBMUJFWSA-N 1 0 327.429 -1.092 20 0 EAADRO C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000339638513 414929750 /nfs/dbraw/zinc/92/97/50/414929750.db2.gz BUFKKCRTAPIMOG-ZDUSSCGKSA-N 1 0 327.429 -1.092 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000339640268 265261279 /nfs/dbraw/zinc/26/12/79/265261279.db2.gz YLUSPVABBSRPSL-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CCCC1 ZINC000339647319 265261287 /nfs/dbraw/zinc/26/12/87/265261287.db2.gz HYNTYDLCYUGXNY-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CCCC1 ZINC000339647320 374584731 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Cn1cc(S(=O)(=O)NCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000351219417 415065457 /nfs/dbraw/zinc/06/54/57/415065457.db2.gz VCHNKVUMBRPRRR-WCQGTBRESA-N 1 0 327.410 -1.106 20 0 EAADRO Cn1cc(S(=O)(=O)NCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000351219419 265208672 /nfs/dbraw/zinc/20/86/72/265208672.db2.gz VCHNKVUMBRPRRR-ZMLRMANQSA-N 1 0 327.410 -1.106 20 0 EAADRO C[N@H+](C[C@H](O)CN1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000351293733 374733906 /nfs/dbraw/zinc/73/39/06/374733906.db2.gz XKZLZFWNIXCUFB-INIZCTEOSA-N 1 0 340.468 -1.082 20 0 EAADRO C[N@H+](C[C@@H](O)CN1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000351293741 415065969 /nfs/dbraw/zinc/06/59/69/415065969.db2.gz XKZLZFWNIXCUFB-MRXNPFEDSA-N 1 0 340.468 -1.082 20 0 EAADRO C[N@H+](C[C@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1)C1CC1 ZINC000351387410 265136037 /nfs/dbraw/zinc/13/60/37/265136037.db2.gz QGPFLNJZGDNIFF-INIZCTEOSA-N 1 0 340.468 -1.082 20 0 EAADRO COCCNC(=O)CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351390075 265078108 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EAADRO CC[C@](C)([NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC000351473163 264697257 /nfs/dbraw/zinc/69/72/57/264697257.db2.gz SVEAOLYOSPNTRN-RISCZKNCSA-N 1 0 349.453 -1.108 20 0 EAADRO CC[C@@](C)([NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC000351473164 265359593 /nfs/dbraw/zinc/35/95/93/265359593.db2.gz SVEAOLYOSPNTRN-SMDDNHRTSA-N 1 0 349.453 -1.108 20 0 EAADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C(=O)CO)CC2)CC1=O ZINC000351484292 265236235 /nfs/dbraw/zinc/23/62/35/265236235.db2.gz LKENHQREJOZDHE-GFCCVEGCSA-N 1 0 326.397 -1.940 20 0 EAADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C(=O)CO)CC2)CC1=O ZINC000351484293 415063826 /nfs/dbraw/zinc/06/38/26/415063826.db2.gz LKENHQREJOZDHE-LBPRGKRZSA-N 1 0 326.397 -1.940 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000351495082 415065663 /nfs/dbraw/zinc/06/56/63/415065663.db2.gz PBSURUUTZASHRH-KKUMJFAQSA-N 1 0 337.468 -1.112 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000351495083 415066007 /nfs/dbraw/zinc/06/60/07/415066007.db2.gz PBSURUUTZASHRH-RRFJBIMHSA-N 1 0 337.468 -1.112 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000351495084 374733314 /nfs/dbraw/zinc/73/33/14/374733314.db2.gz PBSURUUTZASHRH-SOUVJXGZSA-N 1 0 337.468 -1.112 20 0 EAADRO Cn1nnnc1SCCC(=O)N[C@@H](CO)CN1CCOCC1 ZINC000351506538 265354494 /nfs/dbraw/zinc/35/44/94/265354494.db2.gz UMTOXRSLIFEPEE-SNVBAGLBSA-N 1 0 330.414 -1.498 20 0 EAADRO COC(=O)[C@H](NC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000351511713 265169754 /nfs/dbraw/zinc/16/97/54/265169754.db2.gz CHKDIIFOAKOHLF-ZYHUDNBSSA-N 1 0 335.426 -1.076 20 0 EAADRO Cc1nc(CN2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)no1 ZINC000351517550 265239725 /nfs/dbraw/zinc/23/97/25/265239725.db2.gz KGNXWDFUISYNOT-GFCCVEGCSA-N 1 0 336.396 -1.110 20 0 EAADRO Cc1nc(CN2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)no1 ZINC000351517566 265172225 /nfs/dbraw/zinc/17/22/25/265172225.db2.gz KGNXWDFUISYNOT-LBPRGKRZSA-N 1 0 336.396 -1.110 20 0 EAADRO O=C(CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1)NC1CC1 ZINC000351519662 265374314 /nfs/dbraw/zinc/37/43/14/265374314.db2.gz FQCFUUAFAVHAIU-CYBMUJFWSA-N 1 0 337.424 -1.723 20 0 EAADRO O=C(CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1)NC1CC1 ZINC000351519663 415064833 /nfs/dbraw/zinc/06/48/33/415064833.db2.gz FQCFUUAFAVHAIU-ZDUSSCGKSA-N 1 0 337.424 -1.723 20 0 EAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000351520594 265258069 /nfs/dbraw/zinc/25/80/69/265258069.db2.gz HGVJFMOVZFWCCI-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000351520595 264890437 /nfs/dbraw/zinc/89/04/37/264890437.db2.gz HGVJFMOVZFWCCI-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000351520596 374733186 /nfs/dbraw/zinc/73/31/86/374733186.db2.gz HGVJFMOVZFWCCI-QWHCGFSZSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000351520597 265324216 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CCN(CC)S(=O)(=O)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351524059 265253292 /nfs/dbraw/zinc/25/32/92/265253292.db2.gz PTRQELNLCCRNPT-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)N(C)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351524871 265290762 /nfs/dbraw/zinc/29/07/62/265290762.db2.gz SLOHYSUASDKZIC-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)N(C)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351524872 374733801 /nfs/dbraw/zinc/73/38/01/374733801.db2.gz SLOHYSUASDKZIC-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351525140 265122836 /nfs/dbraw/zinc/12/28/36/265122836.db2.gz TZBZMRASGUIBKW-IJLUTSLNSA-N 1 0 346.453 -1.311 20 0 EAADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351525141 265272703 /nfs/dbraw/zinc/27/27/03/265272703.db2.gz TZBZMRASGUIBKW-QJPTWQEYSA-N 1 0 346.453 -1.311 20 0 EAADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351525142 415066236 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-1.312 20 0 EAADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000418861622 265086577 /nfs/dbraw/zinc/08/65/77/265086577.db2.gz GVLWDRCZRMHVPM-ZDUSSCGKSA-N 1 0 334.376 -1.312 20 0 EAADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000418862279 265169519 /nfs/dbraw/zinc/16/95/19/265169519.db2.gz HRZWXXRBSXUDEG-UHFFFAOYSA-N 1 0 336.392 -1.379 20 0 EAADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000418862417 374830602 /nfs/dbraw/zinc/83/06/02/374830602.db2.gz FZYDZDWRKDXAJN-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000418862419 265052258 /nfs/dbraw/zinc/05/22/58/265052258.db2.gz FZYDZDWRKDXAJN-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO [NH3+]C[C@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)C1CCCCC1 ZINC000418864712 374830663 /nfs/dbraw/zinc/83/06/63/374830663.db2.gz IOTYQXQBEIIOGB-ZDUSSCGKSA-N 1 0 340.424 -1.015 20 0 EAADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000418865952 265018923 /nfs/dbraw/zinc/01/89/23/265018923.db2.gz NAUKIXGOARWRJN-KBPBESRZSA-N 1 0 348.403 -1.368 20 0 EAADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000418869987 415160459 /nfs/dbraw/zinc/16/04/59/415160459.db2.gz PHVBMQAGSAQLJU-UHFFFAOYSA-N 1 0 348.403 -1.051 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000418871937 374829087 /nfs/dbraw/zinc/82/90/87/374829087.db2.gz RCQUCTRVXVVXOY-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000418871945 265195287 /nfs/dbraw/zinc/19/52/87/265195287.db2.gz RCQUCTRVXVVXOY-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)[C@H]1C[NH3+] ZINC000418873014 265206322 /nfs/dbraw/zinc/20/63/22/265206322.db2.gz SOOLDPOIGZSTQF-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)[C@@H]1C[NH3+] ZINC000418873019 415159477 /nfs/dbraw/zinc/15/94/77/415159477.db2.gz SOOLDPOIGZSTQF-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)[C@@H]1C[NH3+] ZINC000418873022 374829301 /nfs/dbraw/zinc/82/93/01/374829301.db2.gz SOOLDPOIGZSTQF-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418881466 265039222 /nfs/dbraw/zinc/03/92/22/265039222.db2.gz HPZAIVGWUTYXIC-NEPJUHHUSA-N 1 0 348.469 -1.064 20 0 EAADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418881467 265031569 /nfs/dbraw/zinc/03/15/69/265031569.db2.gz HPZAIVGWUTYXIC-NWDGAFQWSA-N 1 0 348.469 -1.064 20 0 EAADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418881468 265236369 /nfs/dbraw/zinc/23/63/69/265236369.db2.gz HPZAIVGWUTYXIC-RYUDHWBXSA-N 1 0 348.469 -1.064 20 0 EAADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418881469 265199060 /nfs/dbraw/zinc/19/90/60/265199060.db2.gz HPZAIVGWUTYXIC-VXGBXAGGSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888696 265376565 /nfs/dbraw/zinc/37/65/65/265376565.db2.gz UDMZZVSYBCZNCM-GRYCIOLGSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888701 265429935 /nfs/dbraw/zinc/42/99/35/265429935.db2.gz UDMZZVSYBCZNCM-IJLUTSLNSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888704 265045571 /nfs/dbraw/zinc/04/55/71/265045571.db2.gz UDMZZVSYBCZNCM-QJPTWQEYSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888708 415162339 /nfs/dbraw/zinc/16/23/39/415162339.db2.gz UDMZZVSYBCZNCM-SDDRHHMPSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888710 415163214 /nfs/dbraw/zinc/16/32/14/415163214.db2.gz UDMZZVSYBCZNCM-SRVKXCTJSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888713 265393290 /nfs/dbraw/zinc/39/32/90/265393290.db2.gz UDMZZVSYBCZNCM-TUAOUCFPSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888714 265230939 /nfs/dbraw/zinc/23/09/39/265230939.db2.gz UDMZZVSYBCZNCM-UTUOFQBUSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000418888716 265194892 /nfs/dbraw/zinc/19/48/92/265194892.db2.gz UDMZZVSYBCZNCM-WOPDTQHZSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418892214 265196358 /nfs/dbraw/zinc/19/63/58/265196358.db2.gz YLLFPVKOOQNHSP-GRYCIOLGSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418892215 415162657 /nfs/dbraw/zinc/16/26/57/415162657.db2.gz YLLFPVKOOQNHSP-IJLUTSLNSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418892218 374829677 /nfs/dbraw/zinc/82/96/77/374829677.db2.gz YLLFPVKOOQNHSP-SDDRHHMPSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418892220 415160927 /nfs/dbraw/zinc/16/09/27/415160927.db2.gz YLLFPVKOOQNHSP-SRVKXCTJSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418892222 415161231 /nfs/dbraw/zinc/16/12/31/415161231.db2.gz YLLFPVKOOQNHSP-TUAOUCFPSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418892224 265047886 /nfs/dbraw/zinc/04/78/86/265047886.db2.gz YLLFPVKOOQNHSP-UTUOFQBUSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418892227 415161063 /nfs/dbraw/zinc/16/10/63/415161063.db2.gz YLLFPVKOOQNHSP-WOPDTQHZSA-N 1 0 346.453 -1.359 20 0 EAADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418931293 264687968 /nfs/dbraw/zinc/68/79/68/264687968.db2.gz DAOQHFSOTRORSK-GFCCVEGCSA-N 1 0 348.469 -1.078 20 0 EAADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418931294 264749016 /nfs/dbraw/zinc/74/90/16/264749016.db2.gz DAOQHFSOTRORSK-LBPRGKRZSA-N 1 0 348.469 -1.078 20 0 EAADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418931646 415162112 /nfs/dbraw/zinc/16/21/12/415162112.db2.gz DUWHLFZSNBWSDZ-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO O=C(NCCS(=O)(=O)NCC1CCC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418932676 264592839 /nfs/dbraw/zinc/59/28/39/264592839.db2.gz GYYXVVXOJSHVHM-GFCCVEGCSA-N 1 0 346.453 -1.310 20 0 EAADRO O=C(NCCS(=O)(=O)NCC1CCC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418932677 264744492 /nfs/dbraw/zinc/74/44/92/264744492.db2.gz GYYXVVXOJSHVHM-LBPRGKRZSA-N 1 0 346.453 -1.310 20 0 EAADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418934217 415160845 /nfs/dbraw/zinc/16/08/45/415160845.db2.gz JFGYSOXHWCSDIY-LBPRGKRZSA-N 1 0 346.453 -1.228 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418935150 415159164 /nfs/dbraw/zinc/15/91/64/415159164.db2.gz KMXQOZPKXQWSFJ-LLVKDONJSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418935152 265063344 /nfs/dbraw/zinc/06/33/44/265063344.db2.gz KMXQOZPKXQWSFJ-NSHDSACASA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CC[NH2+]1 ZINC000418937100 374832369 /nfs/dbraw/zinc/83/23/69/374832369.db2.gz NNNUFKSRTSUYSB-LLVKDONJSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CC[NH2+]1 ZINC000418937102 265087376 /nfs/dbraw/zinc/08/73/76/265087376.db2.gz NNNUFKSRTSUYSB-NSHDSACASA-N 1 0 346.453 -1.358 20 0 EAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000418937839 265042287 /nfs/dbraw/zinc/04/22/87/265042287.db2.gz OIKJLGOYWDRLOB-GFCCVEGCSA-N 1 0 346.453 -1.228 20 0 EAADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000418937840 415162722 /nfs/dbraw/zinc/16/27/22/415162722.db2.gz OIKJLGOYWDRLOB-LBPRGKRZSA-N 1 0 346.453 -1.228 20 0 EAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418938721 264667314 /nfs/dbraw/zinc/66/73/14/264667314.db2.gz PXSDWWXIMQUESU-LLVKDONJSA-N 1 0 348.469 -1.206 20 0 EAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418938722 374832669 /nfs/dbraw/zinc/83/26/69/374832669.db2.gz PXSDWWXIMQUESU-NSHDSACASA-N 1 0 348.469 -1.206 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@H]1[NH3+] ZINC000418941767 265360973 /nfs/dbraw/zinc/36/09/73/265360973.db2.gz WFOODLFTSKKEFH-CMPLNLGQSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@@H]1[NH3+] ZINC000418941769 265203540 /nfs/dbraw/zinc/20/35/40/265203540.db2.gz WFOODLFTSKKEFH-JQWIXIFHSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@@H]1[NH3+] ZINC000418941770 265213210 /nfs/dbraw/zinc/21/32/10/265213210.db2.gz WFOODLFTSKKEFH-PWSUYJOCSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@H]1[NH3+] ZINC000418941771 265076463 /nfs/dbraw/zinc/07/64/63/265076463.db2.gz WFOODLFTSKKEFH-ZYHUDNBSSA-N 1 0 346.453 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/nfs/dbraw/zinc/83/27/46/374832746.db2.gz RKOUFVFRJIDCHD-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418947672 415162002 /nfs/dbraw/zinc/16/20/02/415162002.db2.gz SSTCNMRAKPGEFO-LLVKDONJSA-N 1 0 334.442 -1.324 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418947675 264947493 /nfs/dbraw/zinc/94/74/93/264947493.db2.gz SSTCNMRAKPGEFO-NSHDSACASA-N 1 0 334.442 -1.324 20 0 EAADRO CN(C(=O)C(=O)NCCn1c(=O)[nH]c2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000418977130 415160320 /nfs/dbraw/zinc/16/03/20/415160320.db2.gz VMURTEOYRQJBOL-STQMWFEESA-N 1 0 347.375 -1.351 20 0 EAADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000418978155 265218594 /nfs/dbraw/zinc/21/85/94/265218594.db2.gz LHEJPCXANKMWOG-RWMBFGLXSA-N 1 0 340.424 -1.016 20 0 EAADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000418978159 265002291 /nfs/dbraw/zinc/00/22/91/265002291.db2.gz LHEJPCXANKMWOG-UPJWGTAASA-N 1 0 340.424 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Cc1ccc(NCCCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)nc1 ZINC000419096557 415418594 /nfs/dbraw/zinc/41/85/94/415418594.db2.gz MFNYFSCMAFOPRY-STQMWFEESA-N 1 0 335.408 -0.901 20 0 EAADRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)nc1 ZINC000419110255 415419526 /nfs/dbraw/zinc/41/95/26/415419526.db2.gz ZGNJMGUPCIWAOU-CYBMUJFWSA-N 1 0 335.408 -0.587 20 0 EAADRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)nc1 ZINC000419110260 415422672 /nfs/dbraw/zinc/42/26/72/415422672.db2.gz ZGNJMGUPCIWAOU-ZDUSSCGKSA-N 1 0 335.408 -0.587 20 0 EAADRO CC(C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCOCC1 ZINC000419116813 265217357 /nfs/dbraw/zinc/21/73/57/265217357.db2.gz LNFAMNGFHBPNGV-ZDUSSCGKSA-N 1 0 330.429 -1.761 20 0 EAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCOCC1 ZINC000419116958 374832407 /nfs/dbraw/zinc/83/24/07/374832407.db2.gz LWQMDZMSGVPGGS-KBPBESRZSA-N 1 0 342.440 -1.355 20 0 EAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N1CCOCC1 ZINC000419116960 265093380 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1 0 340.424 -1.003 20 0 EAADRO CC(C)(C)N1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O ZINC000419189453 415159274 /nfs/dbraw/zinc/15/92/74/415159274.db2.gz KJHIXIOGMOMHBK-VXGBXAGGSA-N 1 0 340.424 -1.003 20 0 EAADRO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000419189686 264951108 /nfs/dbraw/zinc/95/11/08/264951108.db2.gz QCYRQSRIOOMDOM-AGIUHOORSA-N 1 0 337.424 -1.867 20 0 EAADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000419189692 265003837 /nfs/dbraw/zinc/00/38/37/265003837.db2.gz QCYRQSRIOOMDOM-FRRDWIJNSA-N 1 0 337.424 -1.867 20 0 EAADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000419189694 265294631 /nfs/dbraw/zinc/29/46/31/265294631.db2.gz QCYRQSRIOOMDOM-JHJVBQTASA-N 1 0 337.424 -1.867 20 0 EAADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000419189696 415159904 /nfs/dbraw/zinc/15/99/04/415159904.db2.gz QCYRQSRIOOMDOM-UPJWGTAASA-N 1 0 337.424 -1.867 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000419193673 265062237 /nfs/dbraw/zinc/06/22/37/265062237.db2.gz UXXGUPRJDMGARP-IJLUTSLNSA-N 1 0 326.397 -1.536 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000419193674 265349486 /nfs/dbraw/zinc/34/94/86/265349486.db2.gz UXXGUPRJDMGARP-QJPTWQEYSA-N 1 0 326.397 -1.536 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000419193675 374831503 /nfs/dbraw/zinc/83/15/03/374831503.db2.gz UXXGUPRJDMGARP-TUAOUCFPSA-N 1 0 326.397 -1.536 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000419193676 415163486 /nfs/dbraw/zinc/16/34/86/415163486.db2.gz UXXGUPRJDMGARP-UTUOFQBUSA-N 1 0 326.397 -1.536 20 0 EAADRO CC(C)(C)N1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000419195508 415161265 /nfs/dbraw/zinc/16/12/65/415161265.db2.gz RUGGFUGEDJAXKE-GFCCVEGCSA-N 1 0 339.440 -1.477 20 0 EAADRO CC(C)(C)N1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000419195509 265067670 /nfs/dbraw/zinc/06/76/70/265067670.db2.gz RUGGFUGEDJAXKE-LBPRGKRZSA-N 1 0 339.440 -1.477 20 0 EAADRO CN(C(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419201846 265113265 /nfs/dbraw/zinc/11/32/65/265113265.db2.gz YGOUJCSVDNZHFC-DCAQKATOSA-N 1 0 326.397 -1.707 20 0 EAADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419201847 415159920 /nfs/dbraw/zinc/15/99/20/415159920.db2.gz YGOUJCSVDNZHFC-VWYCJHECSA-N 1 0 326.397 -1.707 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419202670 265317896 /nfs/dbraw/zinc/31/78/96/265317896.db2.gz ZAZBYPYTKNQBTP-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419202671 265047122 /nfs/dbraw/zinc/04/71/22/265047122.db2.gz ZAZBYPYTKNQBTP-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO COC(=O)c1cccc(CCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000419206703 415162466 /nfs/dbraw/zinc/16/24/66/415162466.db2.gz LEINKKPELWOTNL-KBPBESRZSA-N 1 0 349.387 -1.077 20 0 EAADRO C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419213042 265120454 /nfs/dbraw/zinc/12/04/54/265120454.db2.gz IBGHNJAMXJUJRK-CIUDSAMLSA-N 1 0 327.303 -1.139 20 0 EAADRO C[C@H](COCC(F)(F)F)NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419213043 265012765 /nfs/dbraw/zinc/01/27/65/265012765.db2.gz IBGHNJAMXJUJRK-VGMNWLOBSA-N 1 0 327.303 -1.139 20 0 EAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000419226677 265039170 /nfs/dbraw/zinc/03/91/70/265039170.db2.gz RGWFBHDRTVGKIY-AXFHLTTASA-N 1 0 326.397 -1.047 20 0 EAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000419226683 265120138 /nfs/dbraw/zinc/12/01/38/265120138.db2.gz RGWFBHDRTVGKIY-DCAQKATOSA-N 1 0 326.397 -1.047 20 0 EAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000419226685 415160504 /nfs/dbraw/zinc/16/05/04/415160504.db2.gz RGWFBHDRTVGKIY-GARJFASQSA-N 1 0 326.397 -1.047 20 0 EAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000419226768 265068436 /nfs/dbraw/zinc/06/84/36/265068436.db2.gz RGWFBHDRTVGKIY-HBNTYKKESA-N 1 0 326.397 -1.047 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419243750 265148029 /nfs/dbraw/zinc/14/80/29/265148029.db2.gz JOCIXJFRFCRIJF-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000419243751 415159654 /nfs/dbraw/zinc/15/96/54/415159654.db2.gz JOCIXJFRFCRIJF-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419243752 415160306 /nfs/dbraw/zinc/16/03/06/415160306.db2.gz JOCIXJFRFCRIJF-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000419243753 415163374 /nfs/dbraw/zinc/16/33/74/415163374.db2.gz JOCIXJFRFCRIJF-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO C[NH2+]CCNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419260689 415160229 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EAADRO CN(C(=O)C(=O)NCC(=O)N1CCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000419516135 265079273 /nfs/dbraw/zinc/07/92/73/265079273.db2.gz KDYZRCLSEIKCLR-KBPBESRZSA-N 1 0 346.387 -1.517 20 0 EAADRO [NH3+]CCN(CCO)C(=O)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000419521736 374833401 /nfs/dbraw/zinc/83/34/01/374833401.db2.gz SCQMLGBQQSOGSV-UHFFFAOYSA-N 1 0 334.376 -1.529 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCc3ccccc32)CCO1 ZINC000419523442 265150881 /nfs/dbraw/zinc/15/08/81/265150881.db2.gz WDZIBMXUECRASK-CYBMUJFWSA-N 1 0 346.387 -1.122 20 0 EAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCc3ccccc32)CCO1 ZINC000419523444 265202310 /nfs/dbraw/zinc/20/23/10/265202310.db2.gz WDZIBMXUECRASK-ZDUSSCGKSA-N 1 0 346.387 -1.122 20 0 EAADRO COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2 ZINC000419540811 415165880 /nfs/dbraw/zinc/16/58/80/415165880.db2.gz CNBJQAVFMLARBI-GFCCVEGCSA-N 1 0 337.376 -1.106 20 0 EAADRO COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2 ZINC000419540812 265324187 /nfs/dbraw/zinc/32/41/87/265324187.db2.gz CNBJQAVFMLARBI-LBPRGKRZSA-N 1 0 337.376 -1.106 20 0 EAADRO COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC000419541758 265123689 /nfs/dbraw/zinc/12/36/89/265123689.db2.gz DNFHTQNZDRPMCR-UBHSHLNASA-N 1 0 349.387 -1.094 20 0 EAADRO COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC000419541759 265268468 /nfs/dbraw/zinc/26/84/68/265268468.db2.gz DNFHTQNZDRPMCR-XBFCOCLRSA-N 1 0 349.387 -1.094 20 0 EAADRO [NH3+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545366 374832069 /nfs/dbraw/zinc/83/20/69/374832069.db2.gz MOSDLCMJBICZLN-GFCCVEGCSA-N 1 0 334.376 -1.143 20 0 EAADRO CN(C(=O)C(=O)NCCc1ccc2c(c1)OCCO2)[C@H]1C[NH2+]C[C@@H]1O ZINC000419570159 264888349 /nfs/dbraw/zinc/88/83/49/264888349.db2.gz CONRFJSADUYBGB-STQMWFEESA-N 1 0 349.387 -1.092 20 0 EAADRO CCOC[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419574084 265188297 /nfs/dbraw/zinc/18/82/97/265188297.db2.gz RWKURGYCHWOXRN-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CN(C(=O)C(=O)NC[C@H]1COc2ccccc2O1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419602178 415164365 /nfs/dbraw/zinc/16/43/65/415164365.db2.gz XZXIJDKOIOFQEP-SRVKXCTJSA-N 1 0 335.360 -1.266 20 0 EAADRO CN(C(=O)C(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419602180 265332461 /nfs/dbraw/zinc/33/24/61/265332461.db2.gz XZXIJDKOIOFQEP-WOPDTQHZSA-N 1 0 335.360 -1.266 20 0 EAADRO CCOC(=O)C[C@@H](C)CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419604040 265109978 /nfs/dbraw/zinc/10/99/78/265109978.db2.gz ZHRQJZWCZVLPHN-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CCOC(=O)C[C@H](C)CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419604041 264829969 /nfs/dbraw/zinc/82/99/69/264829969.db2.gz ZHRQJZWCZVLPHN-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000419621518 374832115 /nfs/dbraw/zinc/83/21/15/374832115.db2.gz AKLUJVQXEOXMQJ-LLVKDONJSA-N 1 0 336.396 -1.144 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000419621524 415166519 /nfs/dbraw/zinc/16/65/19/415166519.db2.gz AKLUJVQXEOXMQJ-NSHDSACASA-N 1 0 336.396 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H](C)[NH2+]1 ZINC000419622669 374833526 /nfs/dbraw/zinc/83/35/26/374833526.db2.gz DMYVKBWWTDIRNP-FVCCEPFGSA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H](C)[NH2+]1 ZINC000419622671 415166512 /nfs/dbraw/zinc/16/65/12/415166512.db2.gz DMYVKBWWTDIRNP-NDBYEHHHSA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H](C)[NH2+]1 ZINC000419622672 265253207 /nfs/dbraw/zinc/25/32/07/265253207.db2.gz DMYVKBWWTDIRNP-QNWHQSFQSA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H](C)[NH2+]1 ZINC000419622674 415166492 /nfs/dbraw/zinc/16/64/92/415166492.db2.gz DMYVKBWWTDIRNP-RNJOBUHISA-N 1 0 340.424 -1.053 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000419635182 265349132 /nfs/dbraw/zinc/34/91/32/265349132.db2.gz RHTKFXIYQQFXHG-NEPJUHHUSA-N 1 0 340.424 -1.051 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000419635193 264912422 /nfs/dbraw/zinc/91/24/22/264912422.db2.gz RHTKFXIYQQFXHG-NWDGAFQWSA-N 1 0 340.424 -1.051 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000419635199 415165169 /nfs/dbraw/zinc/16/51/69/415165169.db2.gz RHTKFXIYQQFXHG-RYUDHWBXSA-N 1 0 340.424 -1.051 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000419635201 415164392 /nfs/dbraw/zinc/16/43/92/415164392.db2.gz RHTKFXIYQQFXHG-VXGBXAGGSA-N 1 0 340.424 -1.051 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1C[NH3+] ZINC000419635253 415167010 /nfs/dbraw/zinc/16/70/10/415167010.db2.gz BUIQUXVCARZWRZ-GHMZBOCLSA-N 1 0 336.396 -1.301 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C[C@@H]1C[NH3+] ZINC000419635258 265014686 /nfs/dbraw/zinc/01/46/86/265014686.db2.gz BUIQUXVCARZWRZ-MNOVXSKESA-N 1 0 336.396 -1.301 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C[C@@H]1C[NH3+] ZINC000419635259 415165871 /nfs/dbraw/zinc/16/58/71/415165871.db2.gz BUIQUXVCARZWRZ-QWRGUYRKSA-N 1 0 336.396 -1.301 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1C[NH3+] ZINC000419635262 265344728 /nfs/dbraw/zinc/34/47/28/265344728.db2.gz BUIQUXVCARZWRZ-WDEREUQCSA-N 1 0 336.396 -1.301 20 0 EAADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419635840 415166444 /nfs/dbraw/zinc/16/64/44/415166444.db2.gz CZKTZBDNRWDSCI-PHIMTYICSA-N 1 0 334.380 -1.391 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)[C@H](C)C[NH2+]1 ZINC000419636357 264784231 /nfs/dbraw/zinc/78/42/31/264784231.db2.gz RXASTTALQOBREO-FVCCEPFGSA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)[C@@H](C)C[NH2+]1 ZINC000419636359 265213980 /nfs/dbraw/zinc/21/39/80/265213980.db2.gz RXASTTALQOBREO-MROQNXINSA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](C)C[NH2+]1 ZINC000419636361 415166253 /nfs/dbraw/zinc/16/62/53/415166253.db2.gz RXASTTALQOBREO-NDBYEHHHSA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H](C)C[NH2+]1 ZINC000419636363 374832286 /nfs/dbraw/zinc/83/22/86/374832286.db2.gz RXASTTALQOBREO-VOAKCMCISA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@]1(CNC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CCC[NH2+]C1 ZINC000419637768 374832832 /nfs/dbraw/zinc/83/28/32/374832832.db2.gz GBAMPGZAJXVHEY-HNNXBMFYSA-N 1 0 336.396 -1.238 20 0 EAADRO C[C@@]1(CNC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CCC[NH2+]C1 ZINC000419637770 415164240 /nfs/dbraw/zinc/16/42/40/415164240.db2.gz GBAMPGZAJXVHEY-OAHLLOKOSA-N 1 0 336.396 -1.238 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000419637822 374832694 /nfs/dbraw/zinc/83/26/94/374832694.db2.gz GGGKQXBXUOYNCN-CMPLNLGQSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000419637826 415166021 /nfs/dbraw/zinc/16/60/21/415166021.db2.gz GGGKQXBXUOYNCN-JQWIXIFHSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000419637829 415166418 /nfs/dbraw/zinc/16/64/18/415166418.db2.gz GGGKQXBXUOYNCN-PWSUYJOCSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000419637832 415163843 /nfs/dbraw/zinc/16/38/43/415163843.db2.gz GGGKQXBXUOYNCN-ZYHUDNBSSA-N 1 0 336.396 -1.016 20 0 EAADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C1CCCC1 ZINC000419647607 415166410 /nfs/dbraw/zinc/16/64/10/415166410.db2.gz OHKYBUJIHDGZAR-GFCCVEGCSA-N 1 0 336.396 -1.111 20 0 EAADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C1CCCC1 ZINC000419647609 415166487 /nfs/dbraw/zinc/16/64/87/415166487.db2.gz OHKYBUJIHDGZAR-LBPRGKRZSA-N 1 0 336.396 -1.111 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)[C@@H]1C[NH3+] ZINC000419649118 415166463 /nfs/dbraw/zinc/16/64/63/415166463.db2.gz PRLMKJXZFXTFTR-CMPLNLGQSA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)[C@H]1C[NH3+] ZINC000419649121 415165800 /nfs/dbraw/zinc/16/58/00/415165800.db2.gz PRLMKJXZFXTFTR-JQWIXIFHSA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)[C@H]1C[NH3+] ZINC000419649124 265211666 /nfs/dbraw/zinc/21/16/66/265211666.db2.gz PRLMKJXZFXTFTR-PWSUYJOCSA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)[C@@H]1C[NH3+] ZINC000419649127 265244808 /nfs/dbraw/zinc/24/48/08/265244808.db2.gz PRLMKJXZFXTFTR-ZYHUDNBSSA-N 1 0 336.396 -1.159 20 0 EAADRO CCCN(C(=O)C(=O)NCCNC(=O)c1ccn[nH]1)[C@@H]1CC[NH2+]C1 ZINC000419655434 265344156 /nfs/dbraw/zinc/34/41/56/265344156.db2.gz WGPBJLQDOCBRQY-LLVKDONJSA-N 1 0 336.396 -1.144 20 0 EAADRO CCCN(C(=O)C(=O)NCCNC(=O)c1ccn[nH]1)[C@H]1CC[NH2+]C1 ZINC000419655436 264995619 /nfs/dbraw/zinc/99/56/19/264995619.db2.gz WGPBJLQDOCBRQY-NSHDSACASA-N 1 0 336.396 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348.469 -1.030 20 0 EAADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1=O ZINC000419722863 264907798 /nfs/dbraw/zinc/90/77/98/264907798.db2.gz BXDWQTVWFPKNSS-GFCCVEGCSA-N 1 0 348.407 -1.054 20 0 EAADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1=O ZINC000419722869 415166370 /nfs/dbraw/zinc/16/63/70/415166370.db2.gz BXDWQTVWFPKNSS-LBPRGKRZSA-N 1 0 348.407 -1.054 20 0 EAADRO COC(=O)c1ccc(CCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000419723520 415166509 /nfs/dbraw/zinc/16/65/09/415166509.db2.gz ODQROQOONAKYHG-KBPBESRZSA-N 1 0 349.387 -1.077 20 0 EAADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419728291 374832981 /nfs/dbraw/zinc/83/29/81/374832981.db2.gz MSFHFDCFBJAODH-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419728292 265271537 /nfs/dbraw/zinc/27/15/37/265271537.db2.gz MSFHFDCFBJAODH-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419730820 374833033 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XKRSECWLYLQCTH-SDDRHHMPSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCN1S(C)(=O)=O ZINC000420023245 264695686 /nfs/dbraw/zinc/69/56/86/264695686.db2.gz XKRSECWLYLQCTH-SRVKXCTJSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCN1S(C)(=O)=O ZINC000420023247 264986254 /nfs/dbraw/zinc/98/62/54/264986254.db2.gz XKRSECWLYLQCTH-TUAOUCFPSA-N 1 0 346.453 -1.278 20 0 EAADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000420023471 265112079 /nfs/dbraw/zinc/11/20/79/265112079.db2.gz XQVYPHSRYMEZIJ-CYBMUJFWSA-N 1 0 339.440 -1.491 20 0 EAADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000420023472 415171868 /nfs/dbraw/zinc/17/18/68/415171868.db2.gz XQVYPHSRYMEZIJ-ZDUSSCGKSA-N 1 0 339.440 -1.491 20 0 EAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420026135 265242585 /nfs/dbraw/zinc/24/25/85/265242585.db2.gz ZSJBKYRMDFWPDT-LBPRGKRZSA-N 1 0 327.429 -1.538 20 0 EAADRO 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MSRMSVCNCBZRRQ-ZDUSSCGKSA-N 1 0 339.440 -1.491 20 0 EAADRO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CCO1 ZINC000420038577 265341948 /nfs/dbraw/zinc/34/19/48/265341948.db2.gz NBBUTBDXHKEVQC-BJDJZHNGSA-N 1 0 329.397 -1.176 20 0 EAADRO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CCO1 ZINC000420038581 265275764 /nfs/dbraw/zinc/27/57/64/265275764.db2.gz NBBUTBDXHKEVQC-USZNOCQGSA-N 1 0 329.397 -1.176 20 0 EAADRO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CCO1 ZINC000420038583 415170139 /nfs/dbraw/zinc/17/01/39/415170139.db2.gz NBBUTBDXHKEVQC-YFKTTZPYSA-N 1 0 329.397 -1.176 20 0 EAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420041308 415170307 /nfs/dbraw/zinc/17/03/07/415170307.db2.gz BYUZRWWZUYSRFE-LLVKDONJSA-N 1 0 339.440 -1.349 20 0 EAADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420041310 415168201 /nfs/dbraw/zinc/16/82/01/415168201.db2.gz BYUZRWWZUYSRFE-NSHDSACASA-N 1 0 339.440 -1.349 20 0 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CCN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1=O ZINC000420042416 265346620 /nfs/dbraw/zinc/34/66/20/265346620.db2.gz QPASGIQLVJSZBQ-QWRGUYRKSA-N 1 0 326.397 -1.094 20 0 EAADRO CCN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1=O ZINC000420042417 374835333 /nfs/dbraw/zinc/83/53/33/374835333.db2.gz QPASGIQLVJSZBQ-WDEREUQCSA-N 1 0 326.397 -1.094 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000420043179 265344018 /nfs/dbraw/zinc/34/40/18/265344018.db2.gz OFPPWSTUSKPMCJ-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000420043180 265138417 /nfs/dbraw/zinc/13/84/17/265138417.db2.gz OFPPWSTUSKPMCJ-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000420043181 374835984 /nfs/dbraw/zinc/83/59/84/374835984.db2.gz OFPPWSTUSKPMCJ-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000420043182 415170692 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415178679 /nfs/dbraw/zinc/17/86/79/415178679.db2.gz OKAPQAIUZOXMEE-ZDUSSCGKSA-N 1 0 339.440 -1.395 20 0 EAADRO O=C(CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000423020113 415179446 /nfs/dbraw/zinc/17/94/46/415179446.db2.gz YUMHAUZWKOEEDD-UHFFFAOYSA-N 1 0 337.424 -1.815 20 0 EAADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423020254 374855706 /nfs/dbraw/zinc/85/57/06/374855706.db2.gz ZKUJFKNLRINZEI-ZDUSSCGKSA-N 1 0 339.440 -1.525 20 0 EAADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423026459 265324090 /nfs/dbraw/zinc/32/40/90/265324090.db2.gz BHCXVZMXOJOSGB-GFCCVEGCSA-N 1 0 348.469 -1.078 20 0 EAADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423026464 265030194 /nfs/dbraw/zinc/03/01/94/265030194.db2.gz BHCXVZMXOJOSGB-LBPRGKRZSA-N 1 0 348.469 -1.078 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000423027118 265182556 /nfs/dbraw/zinc/18/25/56/265182556.db2.gz CXJQERHHLYHDNL-NEPJUHHUSA-N 1 0 346.453 -1.467 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000423027126 264953549 /nfs/dbraw/zinc/95/35/49/264953549.db2.gz CXJQERHHLYHDNL-NWDGAFQWSA-N 1 0 346.453 -1.467 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000423027128 265111193 /nfs/dbraw/zinc/11/11/93/265111193.db2.gz CXJQERHHLYHDNL-RYUDHWBXSA-N 1 0 346.453 -1.467 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000423027304 265136958 /nfs/dbraw/zinc/13/69/58/265136958.db2.gz CXJQERHHLYHDNL-VXGBXAGGSA-N 1 0 346.453 -1.467 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC[NH2+]1 ZINC000423029146 374857226 /nfs/dbraw/zinc/85/72/26/374857226.db2.gz RTDINAXGIZHMDI-GFCCVEGCSA-N 1 0 337.424 -1.771 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC[NH2+]1 ZINC000423029147 374857350 /nfs/dbraw/zinc/85/73/50/374857350.db2.gz RTDINAXGIZHMDI-LBPRGKRZSA-N 1 0 337.424 -1.771 20 0 EAADRO 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[NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CCO1 ZINC000423036005 265162041 /nfs/dbraw/zinc/16/20/41/265162041.db2.gz KGNAVBDXPKSMRE-SNVBAGLBSA-N 1 0 338.330 -1.121 20 0 EAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423036434 415179329 /nfs/dbraw/zinc/17/93/29/415179329.db2.gz UAMXWNCTSBQWCI-UHFFFAOYSA-N 1 0 339.440 -1.569 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423053266 265039256 /nfs/dbraw/zinc/03/92/56/265039256.db2.gz AFTGDNVWAIBCMH-GFCCVEGCSA-N 1 0 346.453 -1.309 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423053267 415179362 /nfs/dbraw/zinc/17/93/62/415179362.db2.gz AFTGDNVWAIBCMH-LBPRGKRZSA-N 1 0 346.453 -1.309 20 0 EAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423054374 374857014 /nfs/dbraw/zinc/85/70/14/374857014.db2.gz UQRPEQLYGALSKR-GFCCVEGCSA-N 1 0 337.424 -1.771 20 0 EAADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423054375 415172955 /nfs/dbraw/zinc/17/29/55/415172955.db2.gz UQRPEQLYGALSKR-LBPRGKRZSA-N 1 0 337.424 -1.771 20 0 EAADRO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423056509 265198546 /nfs/dbraw/zinc/19/85/46/265198546.db2.gz GBHIROGIAZEHKC-CYBMUJFWSA-N 1 0 328.413 -1.647 20 0 EAADRO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423056510 415181313 /nfs/dbraw/zinc/18/13/13/415181313.db2.gz GBHIROGIAZEHKC-ZDUSSCGKSA-N 1 0 328.413 -1.647 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423057105 415181560 /nfs/dbraw/zinc/18/15/60/415181560.db2.gz GZDNYCHLYOJJDL-GHMZBOCLSA-N 1 0 332.426 -1.714 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000423057106 374856052 /nfs/dbraw/zinc/85/60/52/374856052.db2.gz GZDNYCHLYOJJDL-MNOVXSKESA-N 1 0 332.426 -1.714 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423057107 415177293 /nfs/dbraw/zinc/17/72/93/415177293.db2.gz GZDNYCHLYOJJDL-QWRGUYRKSA-N 1 0 332.426 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ZINC000423059305 264863696 /nfs/dbraw/zinc/86/36/96/264863696.db2.gz LOCBWWUTQJFEMQ-UHFFFAOYSA-N 1 0 348.469 -1.076 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000423060210 415178161 /nfs/dbraw/zinc/17/81/61/415178161.db2.gz HQBQGMAWUCGYQX-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000423060211 265243675 /nfs/dbraw/zinc/24/36/75/265243675.db2.gz HQBQGMAWUCGYQX-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000423060212 265358274 /nfs/dbraw/zinc/35/82/74/265358274.db2.gz HQBQGMAWUCGYQX-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000423060213 415180810 /nfs/dbraw/zinc/18/08/10/415180810.db2.gz HQBQGMAWUCGYQX-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423060296 374857055 /nfs/dbraw/zinc/85/70/55/374857055.db2.gz OCCUIMVBXRMCAE-LLVKDONJSA-N 1 0 332.426 -1.570 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423060297 265292377 /nfs/dbraw/zinc/29/23/77/265292377.db2.gz OCCUIMVBXRMCAE-NSHDSACASA-N 1 0 332.426 -1.570 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423060445 415179704 /nfs/dbraw/zinc/17/97/04/415179704.db2.gz OKFJDQSDZXJHIR-NEPJUHHUSA-N 1 0 346.453 -1.324 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423060446 374856111 /nfs/dbraw/zinc/85/61/11/374856111.db2.gz OKFJDQSDZXJHIR-NWDGAFQWSA-N 1 0 346.453 -1.324 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423060447 265264757 /nfs/dbraw/zinc/26/47/57/265264757.db2.gz OKFJDQSDZXJHIR-RYUDHWBXSA-N 1 0 346.453 -1.324 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423060448 265224181 /nfs/dbraw/zinc/22/41/81/265224181.db2.gz OKFJDQSDZXJHIR-VXGBXAGGSA-N 1 0 346.453 -1.324 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423062608 265159120 /nfs/dbraw/zinc/15/91/20/265159120.db2.gz UNWVQEIXQLOJSM-NSHDSACASA-N 1 0 332.426 -1.699 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423068465 265224042 /nfs/dbraw/zinc/22/40/42/265224042.db2.gz JXFBUVHLWJMOHG-CHWSQXEVSA-N 1 0 339.440 -1.395 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423068466 415180899 /nfs/dbraw/zinc/18/08/99/415180899.db2.gz JXFBUVHLWJMOHG-OLZOCXBDSA-N 1 0 339.440 -1.395 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423068467 415179991 /nfs/dbraw/zinc/17/99/91/415179991.db2.gz JXFBUVHLWJMOHG-QWHCGFSZSA-N 1 0 339.440 -1.395 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423068468 265098413 /nfs/dbraw/zinc/09/84/13/265098413.db2.gz JXFBUVHLWJMOHG-STQMWFEESA-N 1 0 339.440 -1.395 20 0 EAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)C1 ZINC000423070589 415179312 /nfs/dbraw/zinc/17/93/12/415179312.db2.gz GICKKPJINNUDKZ-GFCCVEGCSA-N 1 0 348.407 -1.046 20 0 EAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)C1 ZINC000423070590 265245416 /nfs/dbraw/zinc/24/54/16/265245416.db2.gz GICKKPJINNUDKZ-LBPRGKRZSA-N 1 0 348.407 -1.046 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423070726 374856562 /nfs/dbraw/zinc/85/65/62/374856562.db2.gz NOCCCSHDFUPYMC-RYUDHWBXSA-N 1 0 326.397 -1.488 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423070731 415180237 /nfs/dbraw/zinc/18/02/37/415180237.db2.gz NOCCCSHDFUPYMC-TXEJJXNPSA-N 1 0 326.397 -1.488 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423070733 415178884 /nfs/dbraw/zinc/17/88/84/415178884.db2.gz NOCCCSHDFUPYMC-VXGBXAGGSA-N 1 0 326.397 -1.488 20 0 EAADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000423071429 264805047 /nfs/dbraw/zinc/80/50/47/264805047.db2.gz HUOHWVLKAXRMAV-UHFFFAOYSA-N 1 0 334.380 -1.434 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423071966 415179578 /nfs/dbraw/zinc/17/95/78/415179578.db2.gz IIBJGZBTXRWNAR-CYBMUJFWSA-N 1 0 339.440 -1.523 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423071967 265368863 /nfs/dbraw/zinc/36/88/63/265368863.db2.gz IIBJGZBTXRWNAR-ZDUSSCGKSA-N 1 0 339.440 -1.523 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423072870 265306766 /nfs/dbraw/zinc/30/67/66/265306766.db2.gz QGGYVVLTQFAHMN-GFCCVEGCSA-N 1 0 327.429 -1.538 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423072871 265006317 /nfs/dbraw/zinc/00/63/17/265006317.db2.gz QGGYVVLTQFAHMN-LBPRGKRZSA-N 1 0 327.429 -1.538 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423073206 415180187 /nfs/dbraw/zinc/18/01/87/415180187.db2.gz QYEBFWYFROWBSJ-CYBMUJFWSA-N 1 0 339.440 -1.523 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423073207 265374516 /nfs/dbraw/zinc/37/45/16/265374516.db2.gz QYEBFWYFROWBSJ-ZDUSSCGKSA-N 1 0 339.440 -1.523 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423073745 265254973 /nfs/dbraw/zinc/25/49/73/265254973.db2.gz SDYDAGBZZXECEB-CYBMUJFWSA-N 1 0 341.456 -1.277 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423073746 265152013 /nfs/dbraw/zinc/15/20/13/265152013.db2.gz SDYDAGBZZXECEB-ZDUSSCGKSA-N 1 0 341.456 -1.277 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423074348 265023443 /nfs/dbraw/zinc/02/34/43/265023443.db2.gz URNHMWOSXUGWED-UHFFFAOYSA-N 1 0 326.397 -1.486 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423074786 265113076 /nfs/dbraw/zinc/11/30/76/265113076.db2.gz VGJFHPDPQSDNCF-CHWSQXEVSA-N 1 0 340.424 -1.111 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423074787 265349982 /nfs/dbraw/zinc/34/99/82/265349982.db2.gz VGJFHPDPQSDNCF-OLZOCXBDSA-N 1 0 340.424 -1.111 20 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332.426 -1.653 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423539293 265034722 /nfs/dbraw/zinc/03/47/22/265034722.db2.gz OSEOHFBCRYORME-WDEREUQCSA-N 1 0 332.426 -1.653 20 0 EAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)C1 ZINC000423539987 415177524 /nfs/dbraw/zinc/17/75/24/415177524.db2.gz PSKPBSQHEHNXMG-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)C1 ZINC000423539988 265144613 /nfs/dbraw/zinc/14/46/13/265144613.db2.gz PSKPBSQHEHNXMG-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C1 ZINC000423539990 264995045 /nfs/dbraw/zinc/99/50/45/264995045.db2.gz PSKPBSQHEHNXMG-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C1 ZINC000423539991 415178749 /nfs/dbraw/zinc/17/87/49/415178749.db2.gz PSKPBSQHEHNXMG-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423540433 415180633 /nfs/dbraw/zinc/18/06/33/415180633.db2.gz QHMIEOXVTZCZTJ-NEPJUHHUSA-N 1 0 346.453 -1.265 20 0 EAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423540434 415180012 /nfs/dbraw/zinc/18/00/12/415180012.db2.gz QHMIEOXVTZCZTJ-NWDGAFQWSA-N 1 0 346.453 -1.265 20 0 EAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423540435 415178594 /nfs/dbraw/zinc/17/85/94/415178594.db2.gz QHMIEOXVTZCZTJ-RYUDHWBXSA-N 1 0 346.453 -1.265 20 0 EAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423540436 265374861 /nfs/dbraw/zinc/37/48/61/265374861.db2.gz QHMIEOXVTZCZTJ-VXGBXAGGSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423540530 265023089 /nfs/dbraw/zinc/02/30/89/265023089.db2.gz QPIHHNVZNMGJNN-CHWSQXEVSA-N 1 0 342.440 -1.524 20 0 EAADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423540534 374859728 /nfs/dbraw/zinc/85/97/28/374859728.db2.gz QPIHHNVZNMGJNN-OLZOCXBDSA-N 1 0 342.440 -1.524 20 0 EAADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423540535 374859388 /nfs/dbraw/zinc/85/93/88/374859388.db2.gz QPIHHNVZNMGJNN-QWHCGFSZSA-N 1 0 342.440 -1.524 20 0 EAADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423540536 265294855 /nfs/dbraw/zinc/29/48/55/265294855.db2.gz QPIHHNVZNMGJNN-STQMWFEESA-N 1 0 342.440 -1.524 20 0 EAADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000423541595 265193733 /nfs/dbraw/zinc/19/37/33/265193733.db2.gz SIDCGNRAQZJUKI-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000423541596 415180693 /nfs/dbraw/zinc/18/06/93/415180693.db2.gz SIDCGNRAQZJUKI-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000423541978 265079664 /nfs/dbraw/zinc/07/96/64/265079664.db2.gz FWTFMDOACVXDBW-GFCCVEGCSA-N 1 0 348.407 -1.046 20 0 EAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000423541979 265044284 /nfs/dbraw/zinc/04/42/84/265044284.db2.gz FWTFMDOACVXDBW-LBPRGKRZSA-N 1 0 348.407 -1.046 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000423542305 265167752 /nfs/dbraw/zinc/16/77/52/265167752.db2.gz TVBHHHPLEPSJKG-CHWSQXEVSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000423542308 415178812 /nfs/dbraw/zinc/17/88/12/415178812.db2.gz TVBHHHPLEPSJKG-OLZOCXBDSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000423542311 265396258 /nfs/dbraw/zinc/39/62/58/265396258.db2.gz TVBHHHPLEPSJKG-QWHCGFSZSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000423542314 265155605 /nfs/dbraw/zinc/15/56/05/265155605.db2.gz TVBHHHPLEPSJKG-STQMWFEESA-N 1 0 340.424 -1.111 20 0 EAADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000423543502 414866576 /nfs/dbraw/zinc/86/65/76/414866576.db2.gz HKPCFNKZKJBTGZ-UHFFFAOYSA-N 1 0 336.396 -1.188 20 0 EAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(CCOC)C(=O)C2)C1 ZINC000423544230 265312475 /nfs/dbraw/zinc/31/24/75/265312475.db2.gz WHFXJCBMGRFBNS-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCN(CCOC)C(=O)C2)C1 ZINC000423544231 265045532 /nfs/dbraw/zinc/04/55/32/265045532.db2.gz WHFXJCBMGRFBNS-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)ncn1 ZINC000423544384 265192546 /nfs/dbraw/zinc/19/25/46/265192546.db2.gz ITKHUXUDBXOPSQ-GFCCVEGCSA-N 1 0 348.407 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC[NH2+]1 ZINC000423546066 415442034 /nfs/dbraw/zinc/44/20/34/415442034.db2.gz YLLUBGQNUBGUAO-SECBINFHSA-N 1 0 339.425 -1.411 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC[NH2+]1 ZINC000423546067 415449021 /nfs/dbraw/zinc/44/90/21/415449021.db2.gz YLLUBGQNUBGUAO-VIFPVBQESA-N 1 0 339.425 -1.411 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1=O ZINC000423546139 415180209 /nfs/dbraw/zinc/18/02/09/415180209.db2.gz YTWCBQQTNXGLMJ-GFCCVEGCSA-N 1 0 326.397 -1.357 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000423546845 264802383 /nfs/dbraw/zinc/80/23/83/264802383.db2.gz AKUDDFIRTROEGB-CHWSQXEVSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000423546847 265274278 /nfs/dbraw/zinc/27/42/78/265274278.db2.gz AKUDDFIRTROEGB-OLZOCXBDSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000423546849 374858620 /nfs/dbraw/zinc/85/86/20/374858620.db2.gz AKUDDFIRTROEGB-QWHCGFSZSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000423546851 265066411 /nfs/dbraw/zinc/06/64/11/265066411.db2.gz AKUDDFIRTROEGB-STQMWFEESA-N 1 0 340.424 -1.111 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC000423547401 264788802 /nfs/dbraw/zinc/78/88/02/264788802.db2.gz AYHBOQNCWOOIKR-QWRGUYRKSA-N 1 0 332.426 -1.572 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC000423547404 415178791 /nfs/dbraw/zinc/17/87/91/415178791.db2.gz AYHBOQNCWOOIKR-WDEREUQCSA-N 1 0 332.426 -1.572 20 0 EAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC000423547552 415181033 /nfs/dbraw/zinc/18/10/33/415181033.db2.gz BHOBLFJPIYCLTL-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC000423547557 265169370 /nfs/dbraw/zinc/16/93/70/265169370.db2.gz BHOBLFJPIYCLTL-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000423548158 415179847 /nfs/dbraw/zinc/17/98/47/415179847.db2.gz CAXPPIKVRSANIR-DCAQKATOSA-N 1 0 332.426 -1.716 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423548159 374859591 /nfs/dbraw/zinc/85/95/91/374859591.db2.gz CAXPPIKVRSANIR-GARJFASQSA-N 1 0 332.426 -1.716 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423548160 415180289 /nfs/dbraw/zinc/18/02/89/415180289.db2.gz CAXPPIKVRSANIR-OUAUKWLOSA-N 1 0 332.426 -1.716 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000423548161 265213097 /nfs/dbraw/zinc/21/30/97/265213097.db2.gz CAXPPIKVRSANIR-VWYCJHECSA-N 1 0 332.426 -1.716 20 0 EAADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC000423550006 265209618 /nfs/dbraw/zinc/20/96/18/265209618.db2.gz NORQYJJGGDTZTP-LLVKDONJSA-N 1 0 334.380 -1.307 20 0 EAADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC000423550007 264812257 /nfs/dbraw/zinc/81/22/57/264812257.db2.gz NORQYJJGGDTZTP-NSHDSACASA-N 1 0 334.380 -1.307 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000423553669 415179561 /nfs/dbraw/zinc/17/95/61/415179561.db2.gz IKLJZKJBZBXSQX-LLVKDONJSA-N 1 0 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327.381 -1.029 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C[C@@H](C)O1 ZINC000423624418 415181596 /nfs/dbraw/zinc/18/15/96/415181596.db2.gz BNMTWTASYBYUSV-WHOHXGKFSA-N 1 0 327.381 -1.029 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C[C@@H](C)O1 ZINC000423624419 265053327 /nfs/dbraw/zinc/05/33/27/265053327.db2.gz BNMTWTASYBYUSV-WISYIIOYSA-N 1 0 327.381 -1.029 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423625264 374858309 /nfs/dbraw/zinc/85/83/09/374858309.db2.gz QXTYHKWRTFXCDV-GFCCVEGCSA-N 1 0 326.397 -1.486 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423625266 265208504 /nfs/dbraw/zinc/20/85/04/265208504.db2.gz CQLNBHGXXNIGTL-NEPJUHHUSA-N 1 0 346.453 -1.324 20 0 EAADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423625267 265003530 /nfs/dbraw/zinc/00/35/30/265003530.db2.gz QXTYHKWRTFXCDV-LBPRGKRZSA-N 1 0 326.397 -1.486 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423625268 265383994 /nfs/dbraw/zinc/38/39/94/265383994.db2.gz CQLNBHGXXNIGTL-NWDGAFQWSA-N 1 0 346.453 -1.324 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423625271 374858915 /nfs/dbraw/zinc/85/89/15/374858915.db2.gz CQLNBHGXXNIGTL-RYUDHWBXSA-N 1 0 346.453 -1.324 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423625272 265372910 /nfs/dbraw/zinc/37/29/10/265372910.db2.gz CQLNBHGXXNIGTL-VXGBXAGGSA-N 1 0 346.453 -1.324 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1=O ZINC000423626061 265367836 /nfs/dbraw/zinc/36/78/36/265367836.db2.gz FFGQVMRGXACQOW-NEPJUHHUSA-N 1 0 326.397 -1.501 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1=O ZINC000423626063 415176902 /nfs/dbraw/zinc/17/69/02/415176902.db2.gz FFGQVMRGXACQOW-NWDGAFQWSA-N 1 0 326.397 -1.501 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1=O ZINC000423626066 415181192 /nfs/dbraw/zinc/18/11/92/415181192.db2.gz FFGQVMRGXACQOW-RYUDHWBXSA-N 1 0 326.397 -1.501 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1=O ZINC000423626068 264929153 /nfs/dbraw/zinc/92/91/53/264929153.db2.gz FFGQVMRGXACQOW-VXGBXAGGSA-N 1 0 326.397 -1.501 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1S(C)(=O)=O ZINC000423626845 265322882 /nfs/dbraw/zinc/32/28/82/265322882.db2.gz SWZJDPYHXTXKBJ-NWDGAFQWSA-N 1 0 346.453 -1.182 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1S(C)(=O)=O ZINC000423626848 415180249 /nfs/dbraw/zinc/18/02/49/415180249.db2.gz SWZJDPYHXTXKBJ-RYUDHWBXSA-N 1 0 346.453 -1.182 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C[NH2+]1 ZINC000423626962 415178638 /nfs/dbraw/zinc/17/86/38/415178638.db2.gz HQKPZPWLKBBHPP-GHMZBOCLSA-N 1 0 332.426 -1.701 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C[NH2+]1 ZINC000423626966 264822050 /nfs/dbraw/zinc/82/20/50/264822050.db2.gz HQKPZPWLKBBHPP-MNOVXSKESA-N 1 0 332.426 -1.701 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C[NH2+]1 ZINC000423626970 374857914 /nfs/dbraw/zinc/85/79/14/374857914.db2.gz HQKPZPWLKBBHPP-QWRGUYRKSA-N 1 0 332.426 -1.701 20 0 EAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423626971 265024301 /nfs/dbraw/zinc/02/43/01/265024301.db2.gz HQKPZPWLKBBHPP-WDEREUQCSA-N 1 0 332.426 -1.701 20 0 EAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CCO1 ZINC000423627694 415181099 /nfs/dbraw/zinc/18/10/99/415181099.db2.gz ITRGBPPZOIJVEF-GRYCIOLGSA-N 1 0 327.381 -1.014 20 0 EAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CCO1 ZINC000423627695 415180479 /nfs/dbraw/zinc/18/04/79/415180479.db2.gz ITRGBPPZOIJVEF-IJLUTSLNSA-N 1 0 327.381 -1.014 20 0 EAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CCO1 ZINC000423627696 415181172 /nfs/dbraw/zinc/18/11/72/415181172.db2.gz ITRGBPPZOIJVEF-QJPTWQEYSA-N 1 0 327.381 -1.014 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC12COC2 ZINC000423627761 415180529 /nfs/dbraw/zinc/18/05/29/415180529.db2.gz VAQXMAUPZRKPPF-LLVKDONJSA-N 1 0 325.365 -1.544 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC12COC2 ZINC000423627763 415177364 /nfs/dbraw/zinc/17/73/64/415177364.db2.gz VAQXMAUPZRKPPF-NSHDSACASA-N 1 0 325.365 -1.544 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1=O ZINC000423629917 374858367 /nfs/dbraw/zinc/85/83/67/374858367.db2.gz XWNADDXQSPFTER-GFCCVEGCSA-N 1 0 326.397 -1.357 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1=O ZINC000423629919 415178569 /nfs/dbraw/zinc/17/85/69/415178569.db2.gz XWNADDXQSPFTER-LBPRGKRZSA-N 1 0 326.397 -1.357 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423636415 265013364 /nfs/dbraw/zinc/01/33/64/265013364.db2.gz SMECXZJMPHJYET-NEPJUHHUSA-N 1 0 326.397 -1.488 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423636416 415180958 /nfs/dbraw/zinc/18/09/58/415180958.db2.gz SMECXZJMPHJYET-NWDGAFQWSA-N 1 0 326.397 -1.488 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423636417 265067637 /nfs/dbraw/zinc/06/76/37/265067637.db2.gz SMECXZJMPHJYET-RYUDHWBXSA-N 1 0 326.397 -1.488 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423636418 374858261 /nfs/dbraw/zinc/85/82/61/374858261.db2.gz SMECXZJMPHJYET-VXGBXAGGSA-N 1 0 326.397 -1.488 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC12COC2 ZINC000423637901 265092959 /nfs/dbraw/zinc/09/29/59/265092959.db2.gz HXTYTGHOEZHPAV-NEPJUHHUSA-N 1 0 339.392 -1.026 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC12COC2 ZINC000423637902 415178983 /nfs/dbraw/zinc/17/89/83/415178983.db2.gz HXTYTGHOEZHPAV-NWDGAFQWSA-N 1 0 339.392 -1.026 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC12COC2 ZINC000423637905 374857882 /nfs/dbraw/zinc/85/78/82/374857882.db2.gz HXTYTGHOEZHPAV-RYUDHWBXSA-N 1 0 339.392 -1.026 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC12COC2 ZINC000423637906 415177271 /nfs/dbraw/zinc/17/72/71/415177271.db2.gz HXTYTGHOEZHPAV-VXGBXAGGSA-N 1 0 339.392 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)[C@@H](C)C[NH2+]1 ZINC000423638551 374858954 /nfs/dbraw/zinc/85/89/54/374858954.db2.gz UYQGWVHSYSUCHF-NEPJUHHUSA-N 1 0 339.440 -1.397 20 0 EAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000423638554 265027317 /nfs/dbraw/zinc/02/73/17/265027317.db2.gz UYQGWVHSYSUCHF-NWDGAFQWSA-N 1 0 339.440 -1.397 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)[C@@H](C)C[NH2+]1 ZINC000423638560 415177616 /nfs/dbraw/zinc/17/76/16/415177616.db2.gz UYQGWVHSYSUCHF-RYUDHWBXSA-N 1 0 339.440 -1.397 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)[C@H](C)C[NH2+]1 ZINC000423638565 265041611 /nfs/dbraw/zinc/04/16/11/265041611.db2.gz UYQGWVHSYSUCHF-VXGBXAGGSA-N 1 0 339.440 -1.397 20 0 EAADRO NC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000423640120 374858922 /nfs/dbraw/zinc/85/89/22/374858922.db2.gz VMZHMADWLUGMAR-PHIMTYICSA-N 1 0 337.380 -2.505 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423640697 415177890 /nfs/dbraw/zinc/17/78/90/415177890.db2.gz WFWGOYPECOSVJD-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423640701 415177459 /nfs/dbraw/zinc/17/74/59/415177459.db2.gz WFWGOYPECOSVJD-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423640707 265012743 /nfs/dbraw/zinc/01/27/43/265012743.db2.gz WFWGOYPECOSVJD-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423640711 415179018 /nfs/dbraw/zinc/17/90/18/415179018.db2.gz WFWGOYPECOSVJD-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1CC[NH2+]C1 ZINC000423641590 265164901 /nfs/dbraw/zinc/16/49/01/265164901.db2.gz HOUBJWFORWEKML-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(CCOC)C(=O)C1)[C@H]1CC[NH2+]C1 ZINC000423641591 265048018 /nfs/dbraw/zinc/04/80/18/265048018.db2.gz HOUBJWFORWEKML-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000423642122 265342522 /nfs/dbraw/zinc/34/25/22/265342522.db2.gz KHPLLLCLKPLZDA-LBPRGKRZSA-N 1 0 337.424 -1.771 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423642496 374858838 /nfs/dbraw/zinc/85/88/38/374858838.db2.gz XCOKWLKBOXWJHI-HZSPNIEDSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)[C@H](C)C[NH2+]1 ZINC000423642501 264867265 /nfs/dbraw/zinc/86/72/65/264867265.db2.gz XCOKWLKBOXWJHI-MCIONIFRSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)[C@H](C)C[NH2+]1 ZINC000423642504 265217464 /nfs/dbraw/zinc/21/74/64/265217464.db2.gz XCOKWLKBOXWJHI-MGPQQGTHSA-N 1 0 342.440 -1.653 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC12COC2 ZINC000423645131 374861915 /nfs/dbraw/zinc/86/19/15/374861915.db2.gz KHZYOJOMZPHTNE-NEPJUHHUSA-N 1 0 339.392 -1.026 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC12COC2 ZINC000423645133 415179679 /nfs/dbraw/zinc/17/96/79/415179679.db2.gz KHZYOJOMZPHTNE-NWDGAFQWSA-N 1 0 339.392 -1.026 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC12COC2 ZINC000423645136 415176974 /nfs/dbraw/zinc/17/69/74/415176974.db2.gz KHZYOJOMZPHTNE-RYUDHWBXSA-N 1 0 339.392 -1.026 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC12COC2 ZINC000423645138 265132665 /nfs/dbraw/zinc/13/26/65/265132665.db2.gz KHZYOJOMZPHTNE-VXGBXAGGSA-N 1 0 339.392 -1.026 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423645482 415177820 /nfs/dbraw/zinc/17/78/20/415177820.db2.gz YRLJOKUZKPFIKC-CHWSQXEVSA-N 1 0 339.440 -1.525 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423645483 265043269 /nfs/dbraw/zinc/04/32/69/265043269.db2.gz YRLJOKUZKPFIKC-OLZOCXBDSA-N 1 0 339.440 -1.525 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423645484 265211515 /nfs/dbraw/zinc/21/15/15/265211515.db2.gz YRLJOKUZKPFIKC-QWHCGFSZSA-N 1 0 339.440 -1.525 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423645485 374861813 /nfs/dbraw/zinc/86/18/13/374861813.db2.gz YRLJOKUZKPFIKC-STQMWFEESA-N 1 0 339.440 -1.525 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC12COC2 ZINC000423645490 415179814 /nfs/dbraw/zinc/17/98/14/415179814.db2.gz YSSGTTVYVASDHP-NEPJUHHUSA-N 1 0 339.392 -1.168 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC12COC2 ZINC000423645491 265128881 /nfs/dbraw/zinc/12/88/81/265128881.db2.gz YSSGTTVYVASDHP-NWDGAFQWSA-N 1 0 339.392 -1.168 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC12COC2 ZINC000423645492 265098316 /nfs/dbraw/zinc/09/83/16/265098316.db2.gz YSSGTTVYVASDHP-RYUDHWBXSA-N 1 0 339.392 -1.168 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC12COC2 ZINC000423645493 265098191 /nfs/dbraw/zinc/09/81/91/265098191.db2.gz YSSGTTVYVASDHP-VXGBXAGGSA-N 1 0 339.392 -1.168 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CCN1S(C)(=O)=O ZINC000423646728 265227211 /nfs/dbraw/zinc/22/72/11/265227211.db2.gz MGWRUKIRZCTGKM-QWRGUYRKSA-N 1 0 332.426 -1.572 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1S(C)(=O)=O ZINC000423646729 265197817 /nfs/dbraw/zinc/19/78/17/265197817.db2.gz MGWRUKIRZCTGKM-WDEREUQCSA-N 1 0 332.426 -1.572 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423648763 374861212 /nfs/dbraw/zinc/86/12/12/374861212.db2.gz IYKWCVVLHCMGOR-CHWSQXEVSA-N 1 0 339.440 -1.538 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423648765 374861986 /nfs/dbraw/zinc/86/19/86/374861986.db2.gz IYKWCVVLHCMGOR-OLZOCXBDSA-N 1 0 339.440 -1.538 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423648767 265084167 /nfs/dbraw/zinc/08/41/67/265084167.db2.gz IYKWCVVLHCMGOR-QWHCGFSZSA-N 1 0 339.440 -1.538 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423648769 415180985 /nfs/dbraw/zinc/18/09/85/415180985.db2.gz IYKWCVVLHCMGOR-STQMWFEESA-N 1 0 339.440 -1.538 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000423650145 374861119 /nfs/dbraw/zinc/86/11/19/374861119.db2.gz KHPLLLCLKPLZDA-GFCCVEGCSA-N 1 0 337.424 -1.771 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)[C@@H]1CC[NH2+]C1 ZINC000423654742 374861300 /nfs/dbraw/zinc/86/13/00/374861300.db2.gz TXPJVUIQOXDJIL-LLVKDONJSA-N 1 0 339.396 -2.257 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)[C@H]1CC[NH2+]C1 ZINC000423654746 265274183 /nfs/dbraw/zinc/27/41/83/265274183.db2.gz TXPJVUIQOXDJIL-NSHDSACASA-N 1 0 339.396 -2.257 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000423655163 265157075 /nfs/dbraw/zinc/15/70/75/265157075.db2.gz RSPRIZBDEKWUDM-GRYCIOLGSA-N 1 0 346.453 -1.265 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000423655165 265313740 /nfs/dbraw/zinc/31/37/40/265313740.db2.gz RSPRIZBDEKWUDM-IJLUTSLNSA-N 1 0 346.453 -1.265 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000423655166 415180218 /nfs/dbraw/zinc/18/02/18/415180218.db2.gz RSPRIZBDEKWUDM-QJPTWQEYSA-N 1 0 346.453 -1.265 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000423655167 415178457 /nfs/dbraw/zinc/17/84/57/415178457.db2.gz RSPRIZBDEKWUDM-SDDRHHMPSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)[C@H](C)C[NH2+]1 ZINC000423655313 415177128 /nfs/dbraw/zinc/17/71/28/415177128.db2.gz RWQKVXCAFJJNJP-NXEZZACHSA-N 1 0 325.369 -2.649 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)[C@@H](C)C[NH2+]1 ZINC000423655314 265206908 /nfs/dbraw/zinc/20/69/08/265206908.db2.gz RWQKVXCAFJJNJP-UWVGGRQHSA-N 1 0 325.369 -2.649 20 0 EAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000423655315 415177792 /nfs/dbraw/zinc/17/77/92/415177792.db2.gz RWQKVXCAFJJNJP-VHSXEESVSA-N 1 0 325.369 -2.649 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)[C@@H](C)C[NH2+]1 ZINC000423655316 264689799 /nfs/dbraw/zinc/68/97/99/264689799.db2.gz RWQKVXCAFJJNJP-ZJUUUORDSA-N 1 0 325.369 -2.649 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423655997 374860801 /nfs/dbraw/zinc/86/08/01/374860801.db2.gz TUYXSUAIAHLZDM-SRVKXCTJSA-N 1 0 346.453 -1.313 20 0 EAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000423655998 265030201 /nfs/dbraw/zinc/03/02/01/265030201.db2.gz TUYXSUAIAHLZDM-TUAOUCFPSA-N 1 0 346.453 -1.313 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000423655999 415180670 /nfs/dbraw/zinc/18/06/70/415180670.db2.gz TUYXSUAIAHLZDM-UTUOFQBUSA-N 1 0 346.453 -1.313 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423656000 415181416 /nfs/dbraw/zinc/18/14/16/415181416.db2.gz TUYXSUAIAHLZDM-WOPDTQHZSA-N 1 0 346.453 -1.313 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000423657152 415179158 /nfs/dbraw/zinc/17/91/58/415179158.db2.gz VNJNXWOWZVLLDI-DDHJBXDOSA-N 1 0 327.381 -1.016 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000423657153 415181279 /nfs/dbraw/zinc/18/12/79/415181279.db2.gz VNJNXWOWZVLLDI-IRCOFANPSA-N 1 0 327.381 -1.016 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C[C@@H](C)O1 ZINC000423657154 265144842 /nfs/dbraw/zinc/14/48/42/265144842.db2.gz VNJNXWOWZVLLDI-NNYUYHANSA-N 1 0 327.381 -1.016 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)COC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659050 265148745 /nfs/dbraw/zinc/14/87/45/265148745.db2.gz HKGAYYFLGIISNC-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)COC)CC1)[C@H]1CC[NH2+]C1 ZINC000423659051 415178480 /nfs/dbraw/zinc/17/84/80/415178480.db2.gz HKGAYYFLGIISNC-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[NH2+]C1 ZINC000423662560 265332873 /nfs/dbraw/zinc/33/28/73/265332873.db2.gz MYMVHYKKWGUAIP-GFCCVEGCSA-N 1 0 346.453 -1.309 20 0 EAADRO CCCN(C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[C@H]1CC[NH2+]C1 ZINC000423662561 265356085 /nfs/dbraw/zinc/35/60/85/265356085.db2.gz MYMVHYKKWGUAIP-LBPRGKRZSA-N 1 0 346.453 -1.309 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000423662669 374861495 /nfs/dbraw/zinc/86/14/95/374861495.db2.gz FGCVVVXKQAAGAR-QWRGUYRKSA-N 1 0 348.425 -2.729 20 0 EAADRO CN(C(=O)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423662691 265372259 /nfs/dbraw/zinc/37/22/59/265372259.db2.gz FKFVXLBURBUFKL-AUTRQRHGSA-N 1 0 339.314 -1.307 20 0 EAADRO CN(C(=O)C(=O)N1CCC[C@](O)(C(F)(F)F)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423662692 265311942 /nfs/dbraw/zinc/31/19/42/265311942.db2.gz FKFVXLBURBUFKL-HOTUBEGUSA-N 1 0 339.314 -1.307 20 0 EAADRO COC(=O)[C@]1(C)CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@H]1C ZINC000423663094 265093738 /nfs/dbraw/zinc/09/37/38/265093738.db2.gz FTFINDCSXOZDOU-DZHLUBAWSA-N 1 0 327.381 -1.565 20 0 EAADRO CN(C(=O)C(=O)N1CCO[C@H](COCC2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423664143 265271637 /nfs/dbraw/zinc/27/16/37/265271637.db2.gz FFPHOWBLCGAUTI-IHRRRGAJSA-N 1 0 341.408 -1.569 20 0 EAADRO CN(C(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423664146 264975506 /nfs/dbraw/zinc/97/55/06/264975506.db2.gz FFPHOWBLCGAUTI-RDBSUJKOSA-N 1 0 341.408 -1.569 20 0 EAADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000423664246 265271974 /nfs/dbraw/zinc/27/19/74/265271974.db2.gz HWOSLVXUZHMFTJ-SRVKXCTJSA-N 1 0 327.381 -1.421 20 0 EAADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000423664248 265023882 /nfs/dbraw/zinc/02/38/82/265023882.db2.gz HWOSLVXUZHMFTJ-WOPDTQHZSA-N 1 0 327.381 -1.421 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423665250 265012921 /nfs/dbraw/zinc/01/29/21/265012921.db2.gz JGYJEAZZGZMZSW-CYBMUJFWSA-N 1 0 339.440 -1.394 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423665252 415179253 /nfs/dbraw/zinc/17/92/53/415179253.db2.gz JGYJEAZZGZMZSW-ZDUSSCGKSA-N 1 0 339.440 -1.394 20 0 EAADRO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000423665603 265115150 /nfs/dbraw/zinc/11/51/50/265115150.db2.gz JZUZXMCYRHQUHU-AGIUHOORSA-N 1 0 340.424 -1.458 20 0 EAADRO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000423665606 264677647 /nfs/dbraw/zinc/67/76/47/264677647.db2.gz JZUZXMCYRHQUHU-AVGNSLFASA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCO1 ZINC000423666845 415178699 /nfs/dbraw/zinc/17/86/99/415178699.db2.gz MPLQXCJYIUVMKM-AWEZNQCLSA-N 1 0 348.403 -1.053 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCO1 ZINC000423666846 415181352 /nfs/dbraw/zinc/18/13/52/415181352.db2.gz MPLQXCJYIUVMKM-CQSZACIVSA-N 1 0 348.403 -1.053 20 0 EAADRO CN(C(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423667363 415179648 /nfs/dbraw/zinc/17/96/48/415179648.db2.gz NRMCWQMJLSBPCU-RDBSUJKOSA-N 1 0 334.376 -1.148 20 0 EAADRO CCCN(C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1)[C@@H]1CC[NH2+]C1 ZINC000423667600 415181010 /nfs/dbraw/zinc/18/10/10/415181010.db2.gz URKLKADLELBHCB-NEPJUHHUSA-N 1 0 327.381 -1.013 20 0 EAADRO CCCN(C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1)[C@H]1CC[NH2+]C1 ZINC000423667601 415181585 /nfs/dbraw/zinc/18/15/85/415181585.db2.gz URKLKADLELBHCB-NWDGAFQWSA-N 1 0 327.381 -1.013 20 0 EAADRO CCCN(C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1)[C@H]1CC[NH2+]C1 ZINC000423667602 265101382 /nfs/dbraw/zinc/10/13/82/265101382.db2.gz URKLKADLELBHCB-RYUDHWBXSA-N 1 0 327.381 -1.013 20 0 EAADRO CCCN(C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1)[C@@H]1CC[NH2+]C1 ZINC000423667603 265081332 /nfs/dbraw/zinc/08/13/32/265081332.db2.gz URKLKADLELBHCB-VXGBXAGGSA-N 1 0 327.381 -1.013 20 0 EAADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423667661 265016538 /nfs/dbraw/zinc/01/65/38/265016538.db2.gz KQOUROPMBICMMP-CYBMUJFWSA-N 1 0 339.440 -1.395 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423675078 415182569 /nfs/dbraw/zinc/18/25/69/415182569.db2.gz HNRIFQLZZXOULS-HZSPNIEDSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000423675081 265243038 /nfs/dbraw/zinc/24/30/38/265243038.db2.gz HNRIFQLZZXOULS-MCIONIFRSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000423675082 415183551 /nfs/dbraw/zinc/18/35/51/415183551.db2.gz HNRIFQLZZXOULS-MGPQQGTHSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423675083 265390242 /nfs/dbraw/zinc/39/02/42/265390242.db2.gz HNRIFQLZZXOULS-MJBXVCDLSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)C[C@H](C)[NH2+]1 ZINC000423675386 415182423 /nfs/dbraw/zinc/18/24/23/415182423.db2.gz HVBHZMFLFFHSIK-AOOOYVTPSA-N 1 0 325.369 -2.649 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)C[C@@H](C)[NH2+]1 ZINC000423675390 265026713 /nfs/dbraw/zinc/02/67/13/265026713.db2.gz HVBHZMFLFFHSIK-NXEZZACHSA-N 1 0 325.369 -2.649 20 0 EAADRO CN(C(=O)C(=O)N1CCN(c2ccccc2O)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423675856 415184620 /nfs/dbraw/zinc/18/46/20/415184620.db2.gz IQRUMXXCQLYOIZ-ZFWWWQNUSA-N 1 0 348.403 -1.168 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CC[NH2+]1 ZINC000423677320 265218139 /nfs/dbraw/zinc/21/81/39/265218139.db2.gz JVQHXCYBFNBVGL-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC[NH2+]1 ZINC000423677322 265157581 /nfs/dbraw/zinc/15/75/81/265157581.db2.gz JVQHXCYBFNBVGL-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CC[NH2+]1 ZINC000423677324 265394289 /nfs/dbraw/zinc/39/42/89/265394289.db2.gz JVQHXCYBFNBVGL-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC[NH2+]1 ZINC000423677326 374861594 /nfs/dbraw/zinc/86/15/94/374861594.db2.gz JVQHXCYBFNBVGL-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC000423679497 265077148 /nfs/dbraw/zinc/07/71/48/265077148.db2.gz LRFSUOWFUOEHAW-QWRGUYRKSA-N 1 0 328.369 -2.905 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423680289 415184264 /nfs/dbraw/zinc/18/42/64/415184264.db2.gz RUNWWDWIATZGBC-LLVKDONJSA-N 1 0 332.426 -1.570 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000423680292 415183306 /nfs/dbraw/zinc/18/33/06/415183306.db2.gz RUNWWDWIATZGBC-NSHDSACASA-N 1 0 332.426 -1.570 20 0 EAADRO CCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1=O ZINC000423680716 265389119 /nfs/dbraw/zinc/38/91/19/265389119.db2.gz USWLRYBWZHJCEH-NEPJUHHUSA-N 1 0 326.397 -1.358 20 0 EAADRO CCN1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1=O ZINC000423680717 415182777 /nfs/dbraw/zinc/18/27/77/415182777.db2.gz USWLRYBWZHJCEH-NWDGAFQWSA-N 1 0 326.397 -1.358 20 0 EAADRO CCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1=O ZINC000423680718 415185089 /nfs/dbraw/zinc/18/50/89/415185089.db2.gz USWLRYBWZHJCEH-RYUDHWBXSA-N 1 0 326.397 -1.358 20 0 EAADRO CCN1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1=O ZINC000423680721 415186047 /nfs/dbraw/zinc/18/60/47/415186047.db2.gz USWLRYBWZHJCEH-VXGBXAGGSA-N 1 0 326.397 -1.358 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423681240 415184323 /nfs/dbraw/zinc/18/43/23/415184323.db2.gz OCXDITPOYYULGI-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423681242 264870032 /nfs/dbraw/zinc/87/00/32/264870032.db2.gz OCXDITPOYYULGI-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423681244 265344147 /nfs/dbraw/zinc/34/41/47/265344147.db2.gz OCXDITPOYYULGI-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423681247 415185251 /nfs/dbraw/zinc/18/52/51/415185251.db2.gz OCXDITPOYYULGI-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C(=O)C(=O)N1CC[C@H](Oc2ccncc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423681983 415185628 /nfs/dbraw/zinc/18/56/28/415185628.db2.gz NRMCWQMJLSBPCU-IHRRRGAJSA-N 1 0 334.376 -1.148 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)O1 ZINC000423682541 265352668 /nfs/dbraw/zinc/35/26/68/265352668.db2.gz OHKVBNXXHBUOMI-VPOLOUISSA-N 1 0 329.353 -2.434 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCN1S(C)(=O)=O ZINC000423685530 265256071 /nfs/dbraw/zinc/25/60/71/265256071.db2.gz SBWVDFYZWFSHGP-DCAQKATOSA-N 1 0 348.425 -2.730 20 0 EAADRO CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@H](C)S1(=O)=O ZINC000423686544 265159447 /nfs/dbraw/zinc/15/94/47/265159447.db2.gz UGSLOXFUAFWNDR-BJDJZHNGSA-N 1 0 347.437 -1.798 20 0 EAADRO CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)S1(=O)=O ZINC000423686552 415185845 /nfs/dbraw/zinc/18/58/45/415185845.db2.gz UGSLOXFUAFWNDR-RHYQMDGZSA-N 1 0 347.437 -1.798 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@H](C)S1(=O)=O ZINC000423686554 265123832 /nfs/dbraw/zinc/12/38/32/265123832.db2.gz UGSLOXFUAFWNDR-USZNOCQGSA-N 1 0 347.437 -1.798 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)S1(=O)=O ZINC000423686556 415182220 /nfs/dbraw/zinc/18/22/20/415182220.db2.gz UGSLOXFUAFWNDR-WYUUTHIRSA-N 1 0 347.437 -1.798 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC12COC2 ZINC000423687397 415184821 /nfs/dbraw/zinc/18/48/21/415184821.db2.gz VRHVRBLUTHOTBR-NEPJUHHUSA-N 1 0 339.392 -1.155 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC12COC2 ZINC000423687398 415184183 /nfs/dbraw/zinc/18/41/83/415184183.db2.gz VRHVRBLUTHOTBR-NWDGAFQWSA-N 1 0 339.392 -1.155 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC12COC2 ZINC000423687399 265280996 /nfs/dbraw/zinc/28/09/96/265280996.db2.gz VRHVRBLUTHOTBR-RYUDHWBXSA-N 1 0 339.392 -1.155 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC12COC2 ZINC000423687400 415186081 /nfs/dbraw/zinc/18/60/81/415186081.db2.gz VRHVRBLUTHOTBR-VXGBXAGGSA-N 1 0 339.392 -1.155 20 0 EAADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423687602 374860643 /nfs/dbraw/zinc/86/06/43/374860643.db2.gz VUGBNCPFDTZSPF-NEPJUHHUSA-N 1 0 346.453 -1.182 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423687605 415184896 /nfs/dbraw/zinc/18/48/96/415184896.db2.gz VUGBNCPFDTZSPF-NWDGAFQWSA-N 1 0 346.453 -1.182 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423687610 415183939 /nfs/dbraw/zinc/18/39/39/415183939.db2.gz VUGBNCPFDTZSPF-RYUDHWBXSA-N 1 0 346.453 -1.182 20 0 EAADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423687612 265311502 /nfs/dbraw/zinc/31/15/02/265311502.db2.gz VUGBNCPFDTZSPF-VXGBXAGGSA-N 1 0 346.453 -1.182 20 0 EAADRO COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423687956 265048694 /nfs/dbraw/zinc/04/86/94/265048694.db2.gz WSVNFDITNIXKMD-IAQYHMDHSA-N 1 0 327.381 -1.155 20 0 EAADRO COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423687957 265154729 /nfs/dbraw/zinc/15/47/29/265154729.db2.gz WSVNFDITNIXKMD-NHYWBVRUSA-N 1 0 327.381 -1.155 20 0 EAADRO COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423687958 374860939 /nfs/dbraw/zinc/86/09/39/374860939.db2.gz WSVNFDITNIXKMD-XHDPSFHLSA-N 1 0 327.381 -1.155 20 0 EAADRO COC(=O)[C@]12CN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C[C@H]1COCC2 ZINC000423693984 669086660 /nfs/dbraw/zinc/08/66/60/669086660.db2.gz FHOBMOCSOKZUOB-JRPNMDOOSA-N 1 0 327.381 -1.170 20 0 EAADRO COC(=O)[C@]12CN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C[C@H]1COCC2 ZINC000423693986 669086751 /nfs/dbraw/zinc/08/67/51/669086751.db2.gz FHOBMOCSOKZUOB-ZIBATOQPSA-N 1 0 327.381 -1.170 20 0 EAADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000423701169 265085068 /nfs/dbraw/zinc/08/50/68/265085068.db2.gz WBMIPKCITRPVNU-GHMZBOCLSA-N 1 0 339.396 -2.129 20 0 EAADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000423701170 265310530 /nfs/dbraw/zinc/31/05/30/265310530.db2.gz WBMIPKCITRPVNU-MNOVXSKESA-N 1 0 339.396 -2.129 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000423701171 265173965 /nfs/dbraw/zinc/17/39/65/265173965.db2.gz WBMIPKCITRPVNU-QWRGUYRKSA-N 1 0 339.396 -2.129 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000423701172 264934534 /nfs/dbraw/zinc/93/45/34/264934534.db2.gz WBMIPKCITRPVNU-WDEREUQCSA-N 1 0 339.396 -2.129 20 0 EAADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC12COC2 ZINC000423704154 265129914 /nfs/dbraw/zinc/12/99/14/265129914.db2.gz LWTBBLFJLKUVIK-GHMZBOCLSA-N 1 0 327.381 -1.170 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC12COC2 ZINC000423704155 265120269 /nfs/dbraw/zinc/12/02/69/265120269.db2.gz LWTBBLFJLKUVIK-MNOVXSKESA-N 1 0 327.381 -1.170 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC12COC2 ZINC000423704156 265350252 /nfs/dbraw/zinc/35/02/52/265350252.db2.gz LWTBBLFJLKUVIK-QWRGUYRKSA-N 1 0 327.381 -1.170 20 0 EAADRO COc1cc(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)ncn1 ZINC000423707100 265069090 /nfs/dbraw/zinc/06/90/90/265069090.db2.gz RWBOXNPGXJQODZ-LLVKDONJSA-N 1 0 336.396 -1.061 20 0 EAADRO COc1cc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)ncn1 ZINC000423707103 265166082 /nfs/dbraw/zinc/16/60/82/265166082.db2.gz RWBOXNPGXJQODZ-NSHDSACASA-N 1 0 336.396 -1.061 20 0 EAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423707384 265159050 /nfs/dbraw/zinc/15/90/50/265159050.db2.gz DKZZUVLDGWQSFT-NEPJUHHUSA-N 1 0 344.437 -1.699 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)C[C@H]1C[NH3+] ZINC000423709897 415185437 /nfs/dbraw/zinc/18/54/37/415185437.db2.gz ORGFPTHABPTCSB-GHMZBOCLSA-N 1 0 339.396 -2.414 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)C[C@@H]1C[NH3+] ZINC000423709898 265194582 /nfs/dbraw/zinc/19/45/82/265194582.db2.gz ORGFPTHABPTCSB-MNOVXSKESA-N 1 0 339.396 -2.414 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)C[C@@H]1C[NH3+] ZINC000423709899 415185052 /nfs/dbraw/zinc/18/50/52/415185052.db2.gz ORGFPTHABPTCSB-QWRGUYRKSA-N 1 0 339.396 -2.414 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)C[C@H]1C[NH3+] ZINC000423709900 374861318 /nfs/dbraw/zinc/86/13/18/374861318.db2.gz ORGFPTHABPTCSB-WDEREUQCSA-N 1 0 339.396 -2.414 20 0 EAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423711296 265182501 /nfs/dbraw/zinc/18/25/01/265182501.db2.gz MMLRPLBSQCOMMF-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423711297 415186219 /nfs/dbraw/zinc/18/62/19/415186219.db2.gz MMLRPLBSQCOMMF-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO COc1ccnc(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)n1 ZINC000423712320 265109901 /nfs/dbraw/zinc/10/99/01/265109901.db2.gz CYTKZNWRWHXPAA-LLVKDONJSA-N 1 0 336.396 -1.061 20 0 EAADRO COc1ccnc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)n1 ZINC000423712322 265049508 /nfs/dbraw/zinc/04/95/08/265049508.db2.gz CYTKZNWRWHXPAA-NSHDSACASA-N 1 0 336.396 -1.061 20 0 EAADRO CC1(C)CN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)CC[NH2+]1 ZINC000423713177 374860780 /nfs/dbraw/zinc/86/07/80/374860780.db2.gz PMYIZTUPMVWBBH-UHFFFAOYSA-N 1 0 325.369 -2.647 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423714568 415182298 /nfs/dbraw/zinc/18/22/98/415182298.db2.gz XVLHQPHTQQENEB-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423714571 265118441 /nfs/dbraw/zinc/11/84/41/265118441.db2.gz XVLHQPHTQQENEB-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423715379 264898561 /nfs/dbraw/zinc/89/85/61/264898561.db2.gz HJKDUOWIOMUAHK-LLVKDONJSA-N 1 0 328.413 -1.112 20 0 EAADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423715381 265101552 /nfs/dbraw/zinc/10/15/52/265101552.db2.gz HJKDUOWIOMUAHK-NSHDSACASA-N 1 0 328.413 -1.112 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)[C@@H]1C[NH3+] ZINC000423717913 415182395 /nfs/dbraw/zinc/18/23/95/415182395.db2.gz BIFBDMAXHAGJGM-GHMZBOCLSA-N 1 0 339.396 -2.272 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)[C@H]1C[NH3+] ZINC000423717914 265057212 /nfs/dbraw/zinc/05/72/12/265057212.db2.gz BIFBDMAXHAGJGM-MNOVXSKESA-N 1 0 339.396 -2.272 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)[C@H]1C[NH3+] ZINC000423717915 415185268 /nfs/dbraw/zinc/18/52/68/415185268.db2.gz BIFBDMAXHAGJGM-QWRGUYRKSA-N 1 0 339.396 -2.272 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)[C@@H]1C[NH3+] ZINC000423717916 265253424 /nfs/dbraw/zinc/25/34/24/265253424.db2.gz BIFBDMAXHAGJGM-WDEREUQCSA-N 1 0 339.396 -2.272 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423721791 265172126 /nfs/dbraw/zinc/17/21/26/265172126.db2.gz FGIWVQKWYCTYBE-CHWSQXEVSA-N 1 0 340.424 -1.111 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423721793 374861178 /nfs/dbraw/zinc/86/11/78/374861178.db2.gz FGIWVQKWYCTYBE-OLZOCXBDSA-N 1 0 340.424 -1.111 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423721794 374861660 /nfs/dbraw/zinc/86/16/60/374861660.db2.gz FGIWVQKWYCTYBE-QWHCGFSZSA-N 1 0 340.424 -1.111 20 0 EAADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423723060 265275274 /nfs/dbraw/zinc/27/52/74/265275274.db2.gz QBBVNHNUUVGIPY-NEPJUHHUSA-N 1 0 328.413 -1.112 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423723065 415184924 /nfs/dbraw/zinc/18/49/24/415184924.db2.gz QBBVNHNUUVGIPY-NWDGAFQWSA-N 1 0 328.413 -1.112 20 0 EAADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423723066 374861393 /nfs/dbraw/zinc/86/13/93/374861393.db2.gz QBBVNHNUUVGIPY-RYUDHWBXSA-N 1 0 328.413 -1.112 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423723068 415184119 /nfs/dbraw/zinc/18/41/19/415184119.db2.gz QBBVNHNUUVGIPY-VXGBXAGGSA-N 1 0 328.413 -1.112 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000423727631 374861467 /nfs/dbraw/zinc/86/14/67/374861467.db2.gz VMBYDWGMIJGATP-LLVKDONJSA-N 1 0 339.396 -2.257 20 0 EAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423728174 415183764 /nfs/dbraw/zinc/18/37/64/415183764.db2.gz VXRZESCNRZGLSO-CYBMUJFWSA-N 1 0 341.456 -1.195 20 0 EAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423728175 415183413 /nfs/dbraw/zinc/18/34/13/415183413.db2.gz VXRZESCNRZGLSO-ZDUSSCGKSA-N 1 0 341.456 -1.195 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@@H]1C[NH3+] ZINC000423730247 265106530 /nfs/dbraw/zinc/10/65/30/265106530.db2.gz LATPKGMZJZUIAF-CHWSQXEVSA-N 1 0 340.424 -1.111 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@H]1C[NH3+] ZINC000423730250 374861358 /nfs/dbraw/zinc/86/13/58/374861358.db2.gz LATPKGMZJZUIAF-OLZOCXBDSA-N 1 0 340.424 -1.111 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@@H]1C[NH3+] ZINC000423730253 415184539 /nfs/dbraw/zinc/18/45/39/415184539.db2.gz LATPKGMZJZUIAF-QWHCGFSZSA-N 1 0 340.424 -1.111 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@H]1C[NH3+] ZINC000423730257 415182516 /nfs/dbraw/zinc/18/25/16/415182516.db2.gz LATPKGMZJZUIAF-STQMWFEESA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1=O ZINC000423730594 265164261 /nfs/dbraw/zinc/16/42/61/265164261.db2.gz LKQNLZNKDRJGKB-CHWSQXEVSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1=O ZINC000423730595 415184412 /nfs/dbraw/zinc/18/44/12/415184412.db2.gz LKQNLZNKDRJGKB-OLZOCXBDSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1=O ZINC000423730596 265095057 /nfs/dbraw/zinc/09/50/57/265095057.db2.gz LKQNLZNKDRJGKB-QWHCGFSZSA-N 1 0 340.424 -1.111 20 0 EAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1=O ZINC000423730598 415185105 /nfs/dbraw/zinc/18/51/05/415185105.db2.gz LKQNLZNKDRJGKB-STQMWFEESA-N 1 0 340.424 -1.111 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000423731107 415183969 /nfs/dbraw/zinc/18/39/69/415183969.db2.gz YOHGCBAHYVFLLY-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000423731111 415185233 /nfs/dbraw/zinc/18/52/33/415185233.db2.gz YOHGCBAHYVFLLY-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000423731114 265084427 /nfs/dbraw/zinc/08/44/27/265084427.db2.gz YOHGCBAHYVFLLY-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000423731117 265391062 /nfs/dbraw/zinc/39/10/62/265391062.db2.gz YOHGCBAHYVFLLY-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCOC)C(=O)C1 ZINC000423731587 265335578 /nfs/dbraw/zinc/33/55/78/265335578.db2.gz YYIXOXGDASUGDB-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCOC)C(=O)C1 ZINC000423731588 265271337 /nfs/dbraw/zinc/27/13/37/265271337.db2.gz YYIXOXGDASUGDB-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423731625 415184361 /nfs/dbraw/zinc/18/43/61/415184361.db2.gz ZCHLMFCTSUKSGI-CHWSQXEVSA-N 1 0 341.456 -1.149 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423731626 265275858 /nfs/dbraw/zinc/27/58/58/265275858.db2.gz ZCHLMFCTSUKSGI-OLZOCXBDSA-N 1 0 341.456 -1.149 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423731627 415185341 /nfs/dbraw/zinc/18/53/41/415185341.db2.gz ZCHLMFCTSUKSGI-QWHCGFSZSA-N 1 0 341.456 -1.149 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423731628 265071284 /nfs/dbraw/zinc/07/12/84/265071284.db2.gz ZCHLMFCTSUKSGI-STQMWFEESA-N 1 0 341.456 -1.149 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CCO1 ZINC000423731780 415183189 /nfs/dbraw/zinc/18/31/89/415183189.db2.gz MDVCESKUHKCQRL-SRVKXCTJSA-N 1 0 327.381 -1.027 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CCO1 ZINC000423731781 265226149 /nfs/dbraw/zinc/22/61/49/265226149.db2.gz MDVCESKUHKCQRL-TUAOUCFPSA-N 1 0 327.381 -1.027 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CCO1 ZINC000423731782 265040698 /nfs/dbraw/zinc/04/06/98/265040698.db2.gz MDVCESKUHKCQRL-UTUOFQBUSA-N 1 0 327.381 -1.027 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CCO1 ZINC000423731783 265180902 /nfs/dbraw/zinc/18/09/02/265180902.db2.gz MDVCESKUHKCQRL-WOPDTQHZSA-N 1 0 327.381 -1.027 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000423732229 415183823 /nfs/dbraw/zinc/18/38/23/415183823.db2.gz ZZFOGQBFKDRHPO-NEPJUHHUSA-N 1 0 326.397 -1.440 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)O1 ZINC000423733891 265371718 /nfs/dbraw/zinc/37/17/18/265371718.db2.gz QKDYIZZSNIVJPJ-WISYIIOYSA-N 1 0 325.365 -1.404 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC12COC2 ZINC000423735490 265209715 /nfs/dbraw/zinc/20/97/15/265209715.db2.gz DSVAOJMOJKAXPK-GRYCIOLGSA-N 1 0 339.392 -1.170 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC12COC2 ZINC000423735492 415184735 /nfs/dbraw/zinc/18/47/35/415184735.db2.gz DSVAOJMOJKAXPK-SDDRHHMPSA-N 1 0 339.392 -1.170 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC12COC2 ZINC000423735496 415184510 /nfs/dbraw/zinc/18/45/10/415184510.db2.gz DSVAOJMOJKAXPK-SRVKXCTJSA-N 1 0 339.392 -1.170 20 0 EAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC12COC2 ZINC000423735501 415184384 /nfs/dbraw/zinc/18/43/84/415184384.db2.gz DSVAOJMOJKAXPK-WOPDTQHZSA-N 1 0 339.392 -1.170 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000423736515 415184575 /nfs/dbraw/zinc/18/45/75/415184575.db2.gz FQBHLONHQOBTSB-NEPJUHHUSA-N 1 0 327.381 -1.013 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000423736519 265304972 /nfs/dbraw/zinc/30/49/72/265304972.db2.gz FQBHLONHQOBTSB-NWDGAFQWSA-N 1 0 327.381 -1.013 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000423736522 415185717 /nfs/dbraw/zinc/18/57/17/415185717.db2.gz FQBHLONHQOBTSB-RYUDHWBXSA-N 1 0 327.381 -1.013 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000423736525 415185068 /nfs/dbraw/zinc/18/50/68/415185068.db2.gz FQBHLONHQOBTSB-VXGBXAGGSA-N 1 0 327.381 -1.013 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000423739566 415182868 /nfs/dbraw/zinc/18/28/68/415182868.db2.gz ILIZFSQGBFQTMU-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423740489 415186298 /nfs/dbraw/zinc/18/62/98/415186298.db2.gz JCODWZNTUIPNBE-GFCCVEGCSA-N 1 0 346.453 -1.309 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000423740490 374861016 /nfs/dbraw/zinc/86/10/16/374861016.db2.gz JCODWZNTUIPNBE-LBPRGKRZSA-N 1 0 346.453 -1.309 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1C[NH3+] ZINC000423740830 264882900 /nfs/dbraw/zinc/88/29/00/264882900.db2.gz SIRJZWZXYQVXCX-NEPJUHHUSA-N 1 0 346.453 -1.324 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1C[NH3+] ZINC000423740831 265361799 /nfs/dbraw/zinc/36/17/99/265361799.db2.gz SIRJZWZXYQVXCX-NWDGAFQWSA-N 1 0 346.453 -1.324 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1C[NH3+] ZINC000423740832 265326136 /nfs/dbraw/zinc/32/61/36/265326136.db2.gz SIRJZWZXYQVXCX-RYUDHWBXSA-N 1 0 346.453 -1.324 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1C[NH3+] ZINC000423741129 265228388 /nfs/dbraw/zinc/22/83/88/265228388.db2.gz SIRJZWZXYQVXCX-VXGBXAGGSA-N 1 0 346.453 -1.324 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000423744739 415184483 /nfs/dbraw/zinc/18/44/83/415184483.db2.gz NBAAAFJRLYONQM-KBPBESRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000423744741 415186333 /nfs/dbraw/zinc/18/63/33/415186333.db2.gz NBAAAFJRLYONQM-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000423744744 265333365 /nfs/dbraw/zinc/33/33/65/265333365.db2.gz NBAAAFJRLYONQM-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000423744746 265247550 /nfs/dbraw/zinc/24/75/50/265247550.db2.gz NBAAAFJRLYONQM-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000423745436 265159433 /nfs/dbraw/zinc/15/94/33/265159433.db2.gz NVSSQFRCKLAMDI-FRRDWIJNSA-N 1 0 340.424 -1.112 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423745439 265002145 /nfs/dbraw/zinc/00/21/45/265002145.db2.gz NVSSQFRCKLAMDI-JHJVBQTASA-N 1 0 340.424 -1.112 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423745441 415183531 /nfs/dbraw/zinc/18/35/31/415183531.db2.gz NVSSQFRCKLAMDI-RWMBFGLXSA-N 1 0 340.424 -1.112 20 0 EAADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000423745443 265396243 /nfs/dbraw/zinc/39/62/43/265396243.db2.gz NVSSQFRCKLAMDI-YNEHKIRRSA-N 1 0 340.424 -1.112 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CCO1 ZINC000423748556 265064727 /nfs/dbraw/zinc/06/47/27/265064727.db2.gz ZNLMPJVZLPSGPI-SRVKXCTJSA-N 1 0 326.397 -1.454 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CCO1 ZINC000423748557 265298366 /nfs/dbraw/zinc/29/83/66/265298366.db2.gz ZNLMPJVZLPSGPI-TUAOUCFPSA-N 1 0 326.397 -1.454 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CCO1 ZINC000423748558 265343771 /nfs/dbraw/zinc/34/37/71/265343771.db2.gz ZNLMPJVZLPSGPI-UTUOFQBUSA-N 1 0 326.397 -1.454 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CCO1 ZINC000423748559 265274080 /nfs/dbraw/zinc/27/40/80/265274080.db2.gz ZNLMPJVZLPSGPI-WOPDTQHZSA-N 1 0 326.397 -1.454 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)COC)CC1 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EAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000428970850 265231996 /nfs/dbraw/zinc/23/19/96/265231996.db2.gz ZQUZADRWSRAYOK-LLVKDONJSA-N 1 0 332.426 -1.665 20 0 EAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000428970851 265110638 /nfs/dbraw/zinc/11/06/38/265110638.db2.gz ZQUZADRWSRAYOK-NSHDSACASA-N 1 0 332.426 -1.665 20 0 EAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC000428978552 265037928 /nfs/dbraw/zinc/03/79/28/265037928.db2.gz KKFRDFRQXKCKLK-CYBMUJFWSA-N 1 0 340.424 -1.061 20 0 EAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC000428978554 415193473 /nfs/dbraw/zinc/19/34/73/415193473.db2.gz KKFRDFRQXKCKLK-ZDUSSCGKSA-N 1 0 340.424 -1.061 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1=O ZINC000428979476 415195320 /nfs/dbraw/zinc/19/53/20/415195320.db2.gz MGNSDYYVRWRXLK-LLVKDONJSA-N 1 0 337.380 -2.140 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1=O ZINC000428979477 265245818 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374892304 /nfs/dbraw/zinc/89/23/04/374892304.db2.gz KRUMDVNYRZGIGM-SNVBAGLBSA-N 1 0 334.380 -1.308 20 0 EAADRO Cn1c2ncn(CCC(=O)NCC[C@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000429109202 265327295 /nfs/dbraw/zinc/32/72/95/265327295.db2.gz KBHDTPWHHQVNHL-LLVKDONJSA-N 1 0 348.407 -1.060 20 0 EAADRO Cn1c2ncn(CCC(=O)NCC[C@@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000429109203 415195227 /nfs/dbraw/zinc/19/52/27/415195227.db2.gz KBHDTPWHHQVNHL-NSHDSACASA-N 1 0 348.407 -1.060 20 0 EAADRO Cn1c2ncn(CC(=O)NCC[C@@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000429111795 265363775 /nfs/dbraw/zinc/36/37/75/265363775.db2.gz FZAKSOHNVTTWEH-JTQLQIEISA-N 1 0 334.380 -1.451 20 0 EAADRO Cn1c2ncn(CC(=O)NCC[C@H]3CC[NH2+]C3)c2c(=O)n(C)c1=O ZINC000429111796 415192204 /nfs/dbraw/zinc/19/22/04/415192204.db2.gz FZAKSOHNVTTWEH-SNVBAGLBSA-N 1 0 334.380 -1.451 20 0 EAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429117281 265317427 /nfs/dbraw/zinc/31/74/27/265317427.db2.gz UHVLTTUFRRILTK-GFCCVEGCSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429117282 265125506 /nfs/dbraw/zinc/12/55/06/265125506.db2.gz UHVLTTUFRRILTK-LBPRGKRZSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)[C@@H]([NH3+])CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000429132205 414852296 /nfs/dbraw/zinc/85/22/96/414852296.db2.gz DOOQXUIIFUUCGY-JTQLQIEISA-N 1 0 336.396 -1.077 20 0 EAADRO CC(C)[C@H]([NH3+])CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000429132213 414853025 /nfs/dbraw/zinc/85/30/25/414853025.db2.gz DOOQXUIIFUUCGY-SNVBAGLBSA-N 1 0 336.396 -1.077 20 0 EAADRO CC(C)[C@H]([NH3+])CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000429133197 374895599 /nfs/dbraw/zinc/89/55/99/374895599.db2.gz GMNXSXIUOCDIGK-SECBINFHSA-N 1 0 331.398 -1.509 20 0 EAADRO CC(C)[C@@H]([NH3+])CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000429133198 264683095 /nfs/dbraw/zinc/68/30/95/264683095.db2.gz GMNXSXIUOCDIGK-VIFPVBQESA-N 1 0 331.398 -1.509 20 0 EAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c[nH]1 ZINC000429134482 265047001 /nfs/dbraw/zinc/04/70/01/265047001.db2.gz KFWFNHGIPWTYKB-PSASIEDQSA-N 1 0 343.409 -1.365 20 0 EAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c[nH]1 ZINC000429134484 415194178 /nfs/dbraw/zinc/19/41/78/415194178.db2.gz KFWFNHGIPWTYKB-SCZZXKLOSA-N 1 0 343.409 -1.365 20 0 EAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c[nH]1 ZINC000429134486 265336177 /nfs/dbraw/zinc/33/61/77/265336177.db2.gz KFWFNHGIPWTYKB-WCBMZHEXSA-N 1 0 343.409 -1.365 20 0 EAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@H]2C[NH3+])c[nH]1 ZINC000429134487 265012808 /nfs/dbraw/zinc/01/28/08/265012808.db2.gz KFWFNHGIPWTYKB-WPRPVWTQSA-N 1 0 343.409 -1.365 20 0 EAADRO CCCN(CC(N)=O)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000429134590 265363573 /nfs/dbraw/zinc/36/35/73/265363573.db2.gz KWUWRXNWAKQANZ-UHFFFAOYSA-N 1 0 327.429 -1.584 20 0 EAADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000429139496 265021708 /nfs/dbraw/zinc/02/17/08/265021708.db2.gz HJCYZFTWGCJHGT-GFCCVEGCSA-N 1 0 339.462 -1.569 20 0 EAADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000429139498 374893912 /nfs/dbraw/zinc/89/39/12/374893912.db2.gz HJCYZFTWGCJHGT-LBPRGKRZSA-N 1 0 339.462 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1[NH3+] ZINC000429155789 374894688 /nfs/dbraw/zinc/89/46/88/374894688.db2.gz OQDXGAILPCURGF-NXEZZACHSA-N 1 0 334.380 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000429155790 265252902 /nfs/dbraw/zinc/25/29/02/265252902.db2.gz OQDXGAILPCURGF-UWVGGRQHSA-N 1 0 334.380 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1[NH3+] ZINC000429155791 374895692 /nfs/dbraw/zinc/89/56/92/374895692.db2.gz OQDXGAILPCURGF-VHSXEESVSA-N 1 0 334.380 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000429155792 374895471 /nfs/dbraw/zinc/89/54/71/374895471.db2.gz OQDXGAILPCURGF-ZJUUUORDSA-N 1 0 334.380 -1.371 20 0 EAADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000429167713 415193492 /nfs/dbraw/zinc/19/34/92/415193492.db2.gz MBGHYSHMTMLXPC-BDAKNGLRSA-N 1 0 344.393 -1.100 20 0 EAADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000429167714 265166512 /nfs/dbraw/zinc/16/65/12/265166512.db2.gz MBGHYSHMTMLXPC-DTWKUNHWSA-N 1 0 344.393 -1.100 20 0 EAADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])o1 ZINC000429167715 265358133 /nfs/dbraw/zinc/35/81/33/265358133.db2.gz MBGHYSHMTMLXPC-IUCAKERBSA-N 1 0 344.393 -1.100 20 0 EAADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000429167716 264834787 /nfs/dbraw/zinc/83/47/87/264834787.db2.gz MBGHYSHMTMLXPC-RKDXNWHRSA-N 1 0 344.393 -1.100 20 0 EAADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000429168716 374895883 /nfs/dbraw/zinc/89/58/83/374895883.db2.gz FISNUTSXJCZRQX-GFCCVEGCSA-N 1 0 337.446 -1.815 20 0 EAADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000429168717 265134249 /nfs/dbraw/zinc/13/42/49/265134249.db2.gz 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C[C@](C[NH3+])(NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CC1 ZINC000429230757 265376747 /nfs/dbraw/zinc/37/67/47/265376747.db2.gz MNBWMAZGGGXVHB-CYBMUJFWSA-N 1 0 343.409 -1.365 20 0 EAADRO C[C@@](C[NH3+])(NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CC1 ZINC000429230758 265227812 /nfs/dbraw/zinc/22/78/12/265227812.db2.gz MNBWMAZGGGXVHB-ZDUSSCGKSA-N 1 0 343.409 -1.365 20 0 EAADRO C[NH2+]C[C@@H](C)CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000429231028 374896029 /nfs/dbraw/zinc/89/60/29/374896029.db2.gz YZOQXWUPKYTUBK-LLVKDONJSA-N 1 0 336.458 -1.208 20 0 EAADRO C[NH2+]C[C@H](C)CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000429231030 265132579 /nfs/dbraw/zinc/13/25/79/265132579.db2.gz YZOQXWUPKYTUBK-NSHDSACASA-N 1 0 336.458 -1.208 20 0 EAADRO C[NH2+]C[C@H](C)CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000429236196 374894087 /nfs/dbraw/zinc/89/40/87/374894087.db2.gz SXBDKCXVEFMJBA-JTQLQIEISA-N 1 0 336.396 -1.205 20 0 EAADRO C[NH2+]C[C@@H](C)CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000429236200 415195267 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C[NH+](C)CCn1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000438694204 545715333 /nfs/dbraw/zinc/71/53/33/545715333.db2.gz IPLSSNIVBDSYQC-UHFFFAOYSA-N 1 0 344.441 -0.446 20 0 EAADRO CCS(=O)(=O)NCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438699438 415426490 /nfs/dbraw/zinc/42/64/90/415426490.db2.gz VRFAMLOONXZJSF-UHFFFAOYSA-N 1 0 332.430 -0.495 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)NCCCNS(C)(=O)=O)n1 ZINC000438703430 545715920 /nfs/dbraw/zinc/71/59/20/545715920.db2.gz NWZLSPRJZOUWGS-UHFFFAOYSA-N 1 0 332.430 -0.495 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)NCCCN2C(=O)CNC2=O)n1 ZINC000438716133 545716238 /nfs/dbraw/zinc/71/62/38/545716238.db2.gz YPQKMHFQWXCICN-UHFFFAOYSA-N 1 0 337.384 -0.492 20 0 EAADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)S(N)(=O)=O ZINC000438726222 265222686 /nfs/dbraw/zinc/22/26/86/265222686.db2.gz SAKMTPGVUWMJHO-NEPJUHHUSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)S(N)(=O)=O ZINC000438726228 265095345 /nfs/dbraw/zinc/09/53/45/265095345.db2.gz 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QWPUXEQNYCEFID-UHFFFAOYSA-N 1 0 339.440 -1.665 20 0 EAADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000517934048 545653223 /nfs/dbraw/zinc/65/32/23/545653223.db2.gz QWWFSUMRACONSA-CMPLNLGQSA-N 1 0 332.426 -2.191 20 0 EAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000517938701 265275459 /nfs/dbraw/zinc/27/54/59/265275459.db2.gz BWZSXUZGKPLNKX-JQWIXIFHSA-N 1 0 326.397 -1.312 20 0 EAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000517938702 545653133 /nfs/dbraw/zinc/65/31/33/545653133.db2.gz BWZSXUZGKPLNKX-PWSUYJOCSA-N 1 0 326.397 -1.312 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000517952880 265321017 /nfs/dbraw/zinc/32/10/17/265321017.db2.gz XITQXEFEGYXWCG-NSHDSACASA-N 1 0 349.457 -1.901 20 0 EAADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CCCS1(=O)=O ZINC000518040162 545652462 /nfs/dbraw/zinc/65/24/62/545652462.db2.gz BBBRWJGCQFAJCA-CYBMUJFWSA-N 1 0 347.485 -1.043 20 0 EAADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CCCS1(=O)=O ZINC000518040163 545652888 /nfs/dbraw/zinc/65/28/88/545652888.db2.gz BBBRWJGCQFAJCA-ZDUSSCGKSA-N 1 0 347.485 -1.043 20 0 EAADRO O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518167919 374331458 /nfs/dbraw/zinc/33/14/58/374331458.db2.gz PCIPXOFEWHJLLJ-UHFFFAOYSA-N 1 0 337.380 -1.601 20 0 EAADRO NC(=O)CC[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000518168961 265047926 /nfs/dbraw/zinc/04/79/26/265047926.db2.gz NFLMSAHTUMERAI-UHFFFAOYSA-N 1 0 341.437 -1.002 20 0 EAADRO CC[NH2+]CCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000518187564 545652682 /nfs/dbraw/zinc/65/26/82/545652682.db2.gz AMWRSJFOKKQZNE-UHFFFAOYSA-N 1 0 331.398 -1.492 20 0 EAADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000518219051 545652107 /nfs/dbraw/zinc/65/21/07/545652107.db2.gz VKKOLORIMPSIIV-NSHDSACASA-N 1 0 340.405 -1.441 20 0 EAADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)C[C@@H](C)O1 ZINC000518375251 265239381 /nfs/dbraw/zinc/23/93/81/265239381.db2.gz NNNKTQAIESDUQY-KLHDSHLOSA-N 1 0 331.457 -1.261 20 0 EAADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)C[C@@H](C)O1 ZINC000518375252 265297932 /nfs/dbraw/zinc/29/79/32/265297932.db2.gz NNNKTQAIESDUQY-LVQVYYBASA-N 1 0 331.457 -1.261 20 0 EAADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)C[C@H](C)O1 ZINC000518375253 415275817 /nfs/dbraw/zinc/27/58/17/415275817.db2.gz NNNKTQAIESDUQY-QKPAOTATSA-N 1 0 331.457 -1.261 20 0 EAADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)C[C@H](C)O1 ZINC000518375254 415275294 /nfs/dbraw/zinc/27/52/94/415275294.db2.gz NNNKTQAIESDUQY-XUWVNRHRSA-N 1 0 331.457 -1.261 20 0 EAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000518398365 265106507 /nfs/dbraw/zinc/10/65/07/265106507.db2.gz QCRJOWZRUIYFOI-PHIMTYICSA-N 1 0 338.455 -2.040 20 0 EAADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000518452034 414843227 /nfs/dbraw/zinc/84/32/27/414843227.db2.gz ZUKLYVYBWGLYRQ-NEPJUHHUSA-N 1 0 327.381 -1.419 20 0 EAADRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000518452035 414844440 /nfs/dbraw/zinc/84/44/40/414844440.db2.gz ZUKLYVYBWGLYRQ-NWDGAFQWSA-N 1 0 327.381 -1.419 20 0 EAADRO CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000518452036 264984700 /nfs/dbraw/zinc/98/47/00/264984700.db2.gz ZUKLYVYBWGLYRQ-RYUDHWBXSA-N 1 0 327.381 -1.419 20 0 EAADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000518452037 414841554 /nfs/dbraw/zinc/84/15/54/414841554.db2.gz ZUKLYVYBWGLYRQ-VXGBXAGGSA-N 1 0 327.381 -1.419 20 0 EAADRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000518502233 374335982 /nfs/dbraw/zinc/33/59/82/374335982.db2.gz YOYQAUHJAVEFOI-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO O=S(=O)(N1CCOCC1)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000518535792 414843970 /nfs/dbraw/zinc/84/39/70/414843970.db2.gz OGWZBVJDCNMJKO-UHFFFAOYSA-N 1 0 347.485 -1.914 20 0 EAADRO C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C)CC1 ZINC000518757493 265160792 /nfs/dbraw/zinc/16/07/92/265160792.db2.gz BZPJGXUGBQVKIJ-ZDUSSCGKSA-N 1 0 336.502 -1.098 20 0 EAADRO O=C(CN1CC[C@@H](CO)[C@@H](O)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000518877931 415058762 /nfs/dbraw/zinc/05/87/62/415058762.db2.gz CZOOVCPJBPFIHW-KBPBESRZSA-N 1 0 325.409 -1.258 20 0 EAADRO O=C(CN1CC[C@@H](CO)[C@H](O)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000518877933 374720258 /nfs/dbraw/zinc/72/02/58/374720258.db2.gz CZOOVCPJBPFIHW-UONOGXRCSA-N 1 0 325.409 -1.258 20 0 EAADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000518979252 265229916 /nfs/dbraw/zinc/22/99/16/265229916.db2.gz DTLZJCHAYGTGGT-HWPZZCPQSA-N 1 0 335.408 -1.077 20 0 EAADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000518979253 415057158 /nfs/dbraw/zinc/05/71/58/415057158.db2.gz DTLZJCHAYGTGGT-MGPLVRAMSA-N 1 0 335.408 -1.077 20 0 EAADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000518979254 415057080 /nfs/dbraw/zinc/05/70/80/415057080.db2.gz DTLZJCHAYGTGGT-QFYYESIMSA-N 1 0 335.408 -1.077 20 0 EAADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000518979255 415059665 /nfs/dbraw/zinc/05/96/65/415059665.db2.gz DTLZJCHAYGTGGT-QLJPJBMISA-N 1 0 335.408 -1.077 20 0 EAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCSCC3)CCN2C1=O ZINC000519001997 415062522 /nfs/dbraw/zinc/06/25/22/415062522.db2.gz POGGDQQNWQMJII-GHMZBOCLSA-N 1 0 326.422 -1.231 20 0 EAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCSCC3)CCN2C1=O ZINC000519001998 265131232 /nfs/dbraw/zinc/13/12/32/265131232.db2.gz POGGDQQNWQMJII-MNOVXSKESA-N 1 0 326.422 -1.231 20 0 EAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NC3CCSCC3)CCN2C1=O ZINC000519001999 415061005 /nfs/dbraw/zinc/06/10/05/415061005.db2.gz POGGDQQNWQMJII-QWRGUYRKSA-N 1 0 326.422 -1.231 20 0 EAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CCSCC3)CCN2C1=O ZINC000519002000 374724457 /nfs/dbraw/zinc/72/44/57/374724457.db2.gz POGGDQQNWQMJII-WDEREUQCSA-N 1 0 326.422 -1.231 20 0 EAADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000519156781 265256585 /nfs/dbraw/zinc/25/65/85/265256585.db2.gz NUOPIVBAMHACOI-CHWSQXEVSA-N 1 0 346.453 -1.294 20 0 EAADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000519156782 265402322 /nfs/dbraw/zinc/40/23/22/265402322.db2.gz NUOPIVBAMHACOI-OLZOCXBDSA-N 1 0 346.453 -1.294 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000519156783 415061947 /nfs/dbraw/zinc/06/19/47/415061947.db2.gz NUOPIVBAMHACOI-QWHCGFSZSA-N 1 0 346.453 -1.294 20 0 EAADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000519156784 374727266 /nfs/dbraw/zinc/72/72/66/374727266.db2.gz NUOPIVBAMHACOI-STQMWFEESA-N 1 0 346.453 -1.294 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000519168444 265103455 /nfs/dbraw/zinc/10/34/55/265103455.db2.gz CZIVUBJKIOYIQL-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000519168445 265023803 /nfs/dbraw/zinc/02/38/03/265023803.db2.gz CZIVUBJKIOYIQL-MNOVXSKESA-N 1 0 332.426 -1.605 20 0 EAADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000519213477 265341104 /nfs/dbraw/zinc/34/11/04/265341104.db2.gz IHSAXLUMMKNJBK-LLVKDONJSA-N 1 0 348.407 -1.014 20 0 EAADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000519213478 415062721 /nfs/dbraw/zinc/06/27/21/415062721.db2.gz IHSAXLUMMKNJBK-NSHDSACASA-N 1 0 348.407 -1.014 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C3CC3)CC2)CC1 ZINC000519276061 265371381 /nfs/dbraw/zinc/37/13/81/265371381.db2.gz MDBHKEGRKZVMDS-UHFFFAOYSA-N 1 0 337.468 -1.001 20 0 EAADRO CNS(=O)(=O)c1csc(C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000519398352 374727827 /nfs/dbraw/zinc/72/78/27/374727827.db2.gz SUEYBQXCUAKDBK-UHFFFAOYSA-N 1 0 346.434 -1.182 20 0 EAADRO CCC1(CC)NC(=O)N(CC(=O)NCC(=O)N2CC[NH2+]CC2)C1=O ZINC000519542602 415062807 /nfs/dbraw/zinc/06/28/07/415062807.db2.gz VXSWRSYFNMPOPW-UHFFFAOYSA-N 1 0 339.396 -1.355 20 0 EAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000519548004 374727342 /nfs/dbraw/zinc/72/73/42/374727342.db2.gz KOLBQYRGXXRGDE-JTQLQIEISA-N 1 0 326.444 -1.850 20 0 EAADRO CNS(=O)(=O)NCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000519581050 265238258 /nfs/dbraw/zinc/23/82/58/265238258.db2.gz HCPWJXAFIAVMRF-UHFFFAOYSA-N 1 0 342.425 -1.174 20 0 EAADRO CNC(=O)COc1cccc(CC(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000519597257 265017687 /nfs/dbraw/zinc/01/76/87/265017687.db2.gz RYQXTQYZTNRVOD-UHFFFAOYSA-N 1 0 348.403 -1.098 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3C[NH2+]C[C@@H]31)c(=O)n2C ZINC000519598971 264984707 /nfs/dbraw/zinc/98/47/07/264984707.db2.gz GZFFVAKZQCKGNW-ZJUUUORDSA-N 1 0 332.364 -1.746 20 0 EAADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000519599224 264967138 /nfs/dbraw/zinc/96/71/38/264967138.db2.gz IPAKXMYZHRYPRJ-GFCCVEGCSA-N 1 0 337.442 -1.175 20 0 EAADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000519599247 265260091 /nfs/dbraw/zinc/26/00/91/265260091.db2.gz IPAKXMYZHRYPRJ-LBPRGKRZSA-N 1 0 337.442 -1.175 20 0 EAADRO Cc1nccn1CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519604227 265230489 /nfs/dbraw/zinc/23/04/89/265230489.db2.gz CYTWUERYWIXYBH-OLZOCXBDSA-N 1 0 348.407 -1.532 20 0 EAADRO Cc1nccn1CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519604231 265058701 /nfs/dbraw/zinc/05/87/01/265058701.db2.gz CYTWUERYWIXYBH-STQMWFEESA-N 1 0 348.407 -1.532 20 0 EAADRO C[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000519610656 265164999 /nfs/dbraw/zinc/16/49/99/265164999.db2.gz KJALVXYHHWHCFL-LBPRGKRZSA-N 1 0 333.458 -1.769 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000519614346 265206848 /nfs/dbraw/zinc/20/68/48/265206848.db2.gz QKGVTVIZHBYIQZ-LLVKDONJSA-N 1 0 334.442 -1.248 20 0 EAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000519640853 265142737 /nfs/dbraw/zinc/14/27/37/265142737.db2.gz BWWOEUNPSSZMGE-FOGDFJRCSA-N 1 0 327.410 -1.093 20 0 EAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000519640872 265159348 /nfs/dbraw/zinc/15/93/48/265159348.db2.gz BWWOEUNPSSZMGE-UMNHJUIQSA-N 1 0 327.410 -1.093 20 0 EAADRO [NH3+]Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)co1 ZINC000519640929 265326679 /nfs/dbraw/zinc/32/66/79/265326679.db2.gz DCTSYASHYBULIU-UHFFFAOYSA-N 1 0 328.394 -1.202 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000519643270 265200967 /nfs/dbraw/zinc/20/09/67/265200967.db2.gz OJRJRPOCRACOEJ-BETUJISGSA-N 1 0 338.408 -1.344 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519644258 265395174 /nfs/dbraw/zinc/39/51/74/265395174.db2.gz FKUXBOFDGVOEND-AXFHLTTASA-N 1 0 327.385 -1.909 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519644296 265127651 /nfs/dbraw/zinc/12/76/51/265127651.db2.gz FKUXBOFDGVOEND-GARJFASQSA-N 1 0 327.385 -1.909 20 0 EAADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000519649745 265282655 /nfs/dbraw/zinc/28/26/55/265282655.db2.gz IPYKUBBMVAHFML-UHFFFAOYSA-N 1 0 346.453 -1.322 20 0 EAADRO COCCNC(=O)CN1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000519650073 415063161 /nfs/dbraw/zinc/06/31/61/415063161.db2.gz LSHGQGKINKDUHT-UHFFFAOYSA-N 1 0 342.440 -1.338 20 0 EAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CO1 ZINC000519650727 415062066 /nfs/dbraw/zinc/06/20/66/415062066.db2.gz JXGHUNRQRSWQQA-AGIUHOORSA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CO1 ZINC000519650735 265153560 /nfs/dbraw/zinc/15/35/60/265153560.db2.gz JXGHUNRQRSWQQA-FRRDWIJNSA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CO1 ZINC000519650737 415062469 /nfs/dbraw/zinc/06/24/69/415062469.db2.gz JXGHUNRQRSWQQA-JHJVBQTASA-N 1 0 338.408 -1.297 20 0 EAADRO Cc1nc2n(n1)C[C@H](NC(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)CC2 ZINC000519650939 265359182 /nfs/dbraw/zinc/35/91/82/265359182.db2.gz PEOGPZCWUMCATB-IJLUTSLNSA-N 1 0 333.396 -1.145 20 0 EAADRO 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CN(CC[NH3+])C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000563116719 415381858 /nfs/dbraw/zinc/38/18/58/415381858.db2.gz MIZGEYCZWMCOOP-UHFFFAOYSA-N 1 0 334.380 -0.592 20 0 EAADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000563116964 374544199 /nfs/dbraw/zinc/54/41/99/374544199.db2.gz QRXZKODNPGHEPA-JTQLQIEISA-N 1 0 331.398 -1.807 20 0 EAADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000563116971 374542920 /nfs/dbraw/zinc/54/29/20/374542920.db2.gz QRXZKODNPGHEPA-SNVBAGLBSA-N 1 0 331.398 -1.807 20 0 EAADRO COCC[NH2+]CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000563134878 374545158 /nfs/dbraw/zinc/54/51/58/374545158.db2.gz HWTFOAFMCOOPRK-UHFFFAOYSA-N 1 0 337.423 -1.152 20 0 EAADRO C[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000563141155 374546530 /nfs/dbraw/zinc/54/65/30/374546530.db2.gz CFGHWGRDKREDJJ-SECBINFHSA-N 1 0 328.394 -1.212 20 0 EAADRO C[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000563141156 374546652 /nfs/dbraw/zinc/54/66/52/374546652.db2.gz CFGHWGRDKREDJJ-VIFPVBQESA-N 1 0 328.394 -1.212 20 0 EAADRO O=C(CNC(=O)C(=O)NCCOCC1CCC1)N1CC[NH2+]CC1 ZINC000563142276 374546429 /nfs/dbraw/zinc/54/64/29/374546429.db2.gz KMCMBLXLSVVFIH-UHFFFAOYSA-N 1 0 326.397 -1.533 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000563144248 374545650 /nfs/dbraw/zinc/54/56/50/374545650.db2.gz PWDUTDPXYAVRTG-UHFFFAOYSA-N 1 0 329.401 -1.836 20 0 EAADRO O=C(Cn1nnnc1-c1ccsc1)NCC(=O)N1CC[NH2+]CC1 ZINC000563146762 374545617 /nfs/dbraw/zinc/54/56/17/374545617.db2.gz RQVPOTOMJTWQOL-UHFFFAOYSA-N 1 0 335.393 -1.050 20 0 EAADRO O=C(CNS(=O)(=O)c1ccccc1)NCCN1CC[NH2+]CC1 ZINC000563146852 374546711 /nfs/dbraw/zinc/54/67/11/374546711.db2.gz KGFHKGZZZKRFTM-UHFFFAOYSA-N 1 0 326.422 -1.014 20 0 EAADRO Cn1c(N)c(C(=O)CN2CC[C@@]3(C2)CCC[NH2+]C3)c(=O)n(C)c1=O ZINC000563150222 374545336 /nfs/dbraw/zinc/54/53/36/374545336.db2.gz HHKTUCFYNWPREF-INIZCTEOSA-N 1 0 335.408 -1.076 20 0 EAADRO Cn1c(N)c(C(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)c(=O)n(C)c1=O ZINC000563150229 374545074 /nfs/dbraw/zinc/54/50/74/374545074.db2.gz HHKTUCFYNWPREF-MRXNPFEDSA-N 1 0 335.408 -1.076 20 0 EAADRO C[NH2+]CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000563161374 374558325 /nfs/dbraw/zinc/55/83/25/374558325.db2.gz VYQJWNGHWMLJFU-UHFFFAOYSA-N 1 0 325.457 -1.097 20 0 EAADRO CCNC(=O)CN1CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000563161923 374559341 /nfs/dbraw/zinc/55/93/41/374559341.db2.gz BUTNVMZJVVDWKR-HNNXBMFYSA-N 1 0 341.456 -1.244 20 0 EAADRO Cn1c(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc2c1n(C)c(=O)n(C)c2=O ZINC000563163362 374560450 /nfs/dbraw/zinc/56/04/50/374560450.db2.gz UMWKIYJQAFGJHL-JTQLQIEISA-N 1 0 348.407 -1.791 20 0 EAADRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCN2C)cc2c1n(C)c(=O)n(C)c2=O ZINC000563163367 374560352 /nfs/dbraw/zinc/56/03/52/374560352.db2.gz UMWKIYJQAFGJHL-SNVBAGLBSA-N 1 0 348.407 -1.791 20 0 EAADRO CN1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@H](C[NH3+])C1 ZINC000563211028 374574329 /nfs/dbraw/zinc/57/43/29/374574329.db2.gz JSCJMLQYSQEOIJ-GFCCVEGCSA-N 1 0 337.409 -1.074 20 0 EAADRO CN1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C[NH3+])C1 ZINC000563211032 374574259 /nfs/dbraw/zinc/57/42/59/374574259.db2.gz JSCJMLQYSQEOIJ-LBPRGKRZSA-N 1 0 337.409 -1.074 20 0 EAADRO CN1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@H](C[NH3+])C1 ZINC000563212442 374574710 /nfs/dbraw/zinc/57/47/10/374574710.db2.gz XNKHRTSUSGFJRD-LBPRGKRZSA-N 1 0 337.409 -1.074 20 0 EAADRO CC(CO)(CO)NC(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000563239725 374578300 /nfs/dbraw/zinc/57/83/00/374578300.db2.gz VXMDGQIWEVISKC-UHFFFAOYSA-N 1 0 331.413 -1.090 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000563246932 374580156 /nfs/dbraw/zinc/58/01/56/374580156.db2.gz SQKCQQDLVSCTBI-LLVKDONJSA-N 1 0 344.437 -1.428 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000563246935 374580306 /nfs/dbraw/zinc/58/03/06/374580306.db2.gz SQKCQQDLVSCTBI-NSHDSACASA-N 1 0 344.437 -1.428 20 0 EAADRO C[NH+](C)CCOCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000563252301 415441809 /nfs/dbraw/zinc/44/18/09/415441809.db2.gz CVKDZZMGVHRVGE-UHFFFAOYSA-N 1 0 339.400 -1.402 20 0 EAADRO CN1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1=O ZINC000563301537 374582909 /nfs/dbraw/zinc/58/29/09/374582909.db2.gz CGHFKKIOUHNBRU-UHFFFAOYSA-N 1 0 333.392 -1.022 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563301942 374583674 /nfs/dbraw/zinc/58/36/74/374583674.db2.gz HYSWHAFVVAEPHH-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000563301945 374582446 /nfs/dbraw/zinc/58/24/46/374582446.db2.gz HYSWHAFVVAEPHH-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000563301946 374582339 /nfs/dbraw/zinc/58/23/39/374582339.db2.gz HYSWHAFVVAEPHH-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563301947 374583095 /nfs/dbraw/zinc/58/30/95/374583095.db2.gz HYSWHAFVVAEPHH-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000563303576 374585363 /nfs/dbraw/zinc/58/53/63/374585363.db2.gz QKKDQZQJJILKND-UHFFFAOYSA-N 1 0 340.424 -1.109 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCCC1=O ZINC000563351451 374590348 /nfs/dbraw/zinc/59/03/48/374590348.db2.gz ZVMXYHVZLQFZFF-UHFFFAOYSA-N 1 0 328.413 -1.238 20 0 EAADRO NC(=O)[C@@]1([NH2+]CCOc2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000563357910 374590046 /nfs/dbraw/zinc/59/00/46/374590046.db2.gz YJMQXLYCWRJNFX-CYBMUJFWSA-N 1 0 329.378 -1.053 20 0 EAADRO NC(=O)[C@]1([NH2+]CCOc2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000563357911 374591125 /nfs/dbraw/zinc/59/11/25/374591125.db2.gz YJMQXLYCWRJNFX-ZDUSSCGKSA-N 1 0 329.378 -1.053 20 0 EAADRO C[C@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)NCC[NH+](C)C ZINC000563403665 374593246 /nfs/dbraw/zinc/59/32/46/374593246.db2.gz MONIAMOJYHXNHU-BLLLJJGKSA-N 1 0 338.408 -1.218 20 0 EAADRO C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)NCC[NH+](C)C ZINC000563403666 374593102 /nfs/dbraw/zinc/59/31/02/374593102.db2.gz MONIAMOJYHXNHU-LRDDRELGSA-N 1 0 338.408 -1.218 20 0 EAADRO C[C@@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)NCC[NH+](C)C ZINC000563403667 374591998 /nfs/dbraw/zinc/59/19/98/374591998.db2.gz MONIAMOJYHXNHU-MLGOLLRUSA-N 1 0 338.408 -1.218 20 0 EAADRO C[C@@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)NCC[NH+](C)C ZINC000563403668 374593358 /nfs/dbraw/zinc/59/33/58/374593358.db2.gz MONIAMOJYHXNHU-WBMJQRKESA-N 1 0 338.408 -1.218 20 0 EAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)CCN2C1=O ZINC000563438834 374593298 /nfs/dbraw/zinc/59/32/98/374593298.db2.gz DRGFIRYMQTXARI-GHMZBOCLSA-N 1 0 330.348 -1.734 20 0 EAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)CCN2C1=O ZINC000563438840 374592910 /nfs/dbraw/zinc/59/29/10/374592910.db2.gz DRGFIRYMQTXARI-MNOVXSKESA-N 1 0 330.348 -1.734 20 0 EAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Cn3nc4ccccn4c3=O)CCN2C1=O ZINC000563438844 374593165 /nfs/dbraw/zinc/59/31/65/374593165.db2.gz DRGFIRYMQTXARI-QWRGUYRKSA-N 1 0 330.348 -1.734 20 0 EAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Cn3nc4ccccn4c3=O)CCN2C1=O ZINC000563438846 374593761 /nfs/dbraw/zinc/59/37/61/374593761.db2.gz DRGFIRYMQTXARI-WDEREUQCSA-N 1 0 330.348 -1.734 20 0 EAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)CCN2C1=O ZINC000563439446 374593145 /nfs/dbraw/zinc/59/31/45/374593145.db2.gz GIBJCQJIZFQNPJ-AXFHLTTASA-N 1 0 332.351 -1.277 20 0 EAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)CCN2C1=O ZINC000563439452 374593976 /nfs/dbraw/zinc/59/39/76/374593976.db2.gz GIBJCQJIZFQNPJ-GMTAPVOTSA-N 1 0 332.351 -1.277 20 0 EAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)CCN2C1=O ZINC000563439454 374593668 /nfs/dbraw/zinc/59/36/68/374593668.db2.gz GIBJCQJIZFQNPJ-HBNTYKKESA-N 1 0 332.351 -1.277 20 0 EAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)CCN2C1=O ZINC000563439455 374592075 /nfs/dbraw/zinc/59/20/75/374592075.db2.gz GIBJCQJIZFQNPJ-MXWKQRLJSA-N 1 0 332.351 -1.277 20 0 EAADRO CC1(C)CN(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000563441436 374594046 /nfs/dbraw/zinc/59/40/46/374594046.db2.gz LKMHLGCLRGNIMH-GHMZBOCLSA-N 1 0 332.426 -1.414 20 0 EAADRO CC1(C)CN(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000563441446 374594009 /nfs/dbraw/zinc/59/40/09/374594009.db2.gz LKMHLGCLRGNIMH-MNOVXSKESA-N 1 0 332.426 -1.414 20 0 EAADRO CC1(C)CN(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCO1 ZINC000563441447 374592193 /nfs/dbraw/zinc/59/21/93/374592193.db2.gz LKMHLGCLRGNIMH-QWRGUYRKSA-N 1 0 332.426 -1.414 20 0 EAADRO CC1(C)CN(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCO1 ZINC000563441448 374592476 /nfs/dbraw/zinc/59/24/76/374592476.db2.gz LKMHLGCLRGNIMH-WDEREUQCSA-N 1 0 332.426 -1.414 20 0 EAADRO NC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563442371 374592410 /nfs/dbraw/zinc/59/24/10/374592410.db2.gz PZPOIFBLEDCGPI-CMPLNLGQSA-N 1 0 338.389 -1.282 20 0 EAADRO NC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563442372 374591959 /nfs/dbraw/zinc/59/19/59/374591959.db2.gz PZPOIFBLEDCGPI-JQWIXIFHSA-N 1 0 338.389 -1.282 20 0 EAADRO NC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000563442373 374593383 /nfs/dbraw/zinc/59/33/83/374593383.db2.gz PZPOIFBLEDCGPI-PWSUYJOCSA-N 1 0 338.389 -1.282 20 0 EAADRO NC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000563442374 374592293 /nfs/dbraw/zinc/59/22/93/374592293.db2.gz PZPOIFBLEDCGPI-ZYHUDNBSSA-N 1 0 338.389 -1.282 20 0 EAADRO CC[NH2+][C@H](C)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000563446562 374592595 /nfs/dbraw/zinc/59/25/95/374592595.db2.gz UTWIJRCBFMMCFJ-SNVBAGLBSA-N 1 0 328.460 -1.604 20 0 EAADRO C[NH2+]C[C@H](C)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000563446751 374593588 /nfs/dbraw/zinc/59/35/88/374593588.db2.gz WDTOMZMITCGACC-JTQLQIEISA-N 1 0 328.460 -1.747 20 0 EAADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000563446752 374592229 /nfs/dbraw/zinc/59/22/29/374592229.db2.gz WDTOMZMITCGACC-SNVBAGLBSA-N 1 0 328.460 -1.747 20 0 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/nfs/dbraw/zinc/06/96/80/375069680.db2.gz TVXLDXYUTDWHBA-VXGBXAGGSA-N 1 0 331.376 -1.223 20 0 EAADRO O=C(CCN1CCCS1(=O)=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000567194391 375070410 /nfs/dbraw/zinc/07/04/10/375070410.db2.gz WCUQNDAQQDVEIA-AWEZNQCLSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C(CCN1CCCS1(=O)=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000567194392 375069919 /nfs/dbraw/zinc/06/99/19/375069919.db2.gz WCUQNDAQQDVEIA-CQSZACIVSA-N 1 0 331.438 -1.015 20 0 EAADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000567222942 375069839 /nfs/dbraw/zinc/06/98/39/375069839.db2.gz CRNZVSKKACNVAL-JHJVBQTASA-N 1 0 337.424 -1.643 20 0 EAADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000567222943 375070155 /nfs/dbraw/zinc/07/01/55/375070155.db2.gz CRNZVSKKACNVAL-UPJWGTAASA-N 1 0 337.424 -1.643 20 0 EAADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000567222944 375069665 /nfs/dbraw/zinc/06/96/65/375069665.db2.gz CRNZVSKKACNVAL-XQQFMLRXSA-N 1 0 337.424 -1.643 20 0 EAADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000567222945 375069540 /nfs/dbraw/zinc/06/95/40/375069540.db2.gz CRNZVSKKACNVAL-YNEHKIRRSA-N 1 0 337.424 -1.643 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000567235270 375070343 /nfs/dbraw/zinc/07/03/43/375070343.db2.gz BUNGGMKZTDGZQA-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000567235271 375070056 /nfs/dbraw/zinc/07/00/56/375070056.db2.gz BUNGGMKZTDGZQA-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO O=C(CNC(=O)C(=O)N1CCN(CC(F)F)CC1)N1CC[NH2+]CC1 ZINC000567251071 375070571 /nfs/dbraw/zinc/07/05/71/375070571.db2.gz PRBKZZBKSIWVFD-UHFFFAOYSA-N 1 0 347.366 -2.056 20 0 EAADRO COCC[NH2+]CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000567349317 375069716 /nfs/dbraw/zinc/06/97/16/375069716.db2.gz GYBLJOJXDLERKL-UHFFFAOYSA-N 1 0 340.380 -1.958 20 0 EAADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000567349812 375072170 /nfs/dbraw/zinc/07/21/70/375072170.db2.gz ADJIJOKEPHLGFJ-CHWSQXEVSA-N 1 0 328.413 -1.778 20 0 EAADRO COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000567362752 375072089 /nfs/dbraw/zinc/07/20/89/375072089.db2.gz ZUSDIHWIXZIXRA-ZDUSSCGKSA-N 1 0 327.429 -1.172 20 0 EAADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000567367963 375072097 /nfs/dbraw/zinc/07/20/97/375072097.db2.gz HGPRAQWLEOSRDA-JTQLQIEISA-N 1 0 326.444 -1.898 20 0 EAADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000567367964 375072200 /nfs/dbraw/zinc/07/22/00/375072200.db2.gz HGPRAQWLEOSRDA-SNVBAGLBSA-N 1 0 326.444 -1.898 20 0 EAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000567384044 375071486 /nfs/dbraw/zinc/07/14/86/375071486.db2.gz PDIBWWPZNSMKJB-CHWSQXEVSA-N 1 0 337.424 -1.723 20 0 EAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000567384045 375072495 /nfs/dbraw/zinc/07/24/95/375072495.db2.gz PDIBWWPZNSMKJB-OLZOCXBDSA-N 1 0 337.424 -1.723 20 0 EAADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000567384046 375072341 /nfs/dbraw/zinc/07/23/41/375072341.db2.gz PDIBWWPZNSMKJB-QWHCGFSZSA-N 1 0 337.424 -1.723 20 0 EAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000567384047 375072568 /nfs/dbraw/zinc/07/25/68/375072568.db2.gz PDIBWWPZNSMKJB-STQMWFEESA-N 1 0 337.424 -1.723 20 0 EAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)CCN2C1=O ZINC000567407980 375071842 /nfs/dbraw/zinc/07/18/42/375071842.db2.gz RJMPLJDVKCWUIB-KBPBESRZSA-N 1 0 341.375 -1.025 20 0 EAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)CCN2C1=O ZINC000567407981 375071978 /nfs/dbraw/zinc/07/19/78/375071978.db2.gz RJMPLJDVKCWUIB-KGLIPLIRSA-N 1 0 341.375 -1.025 20 0 EAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)CCN2C1=O ZINC000567407982 375072713 /nfs/dbraw/zinc/07/27/13/375072713.db2.gz RJMPLJDVKCWUIB-UONOGXRCSA-N 1 0 341.375 -1.025 20 0 EAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)CCN2C1=O ZINC000567407983 375072396 /nfs/dbraw/zinc/07/23/96/375072396.db2.gz RJMPLJDVKCWUIB-ZIAGYGMSSA-N 1 0 341.375 -1.025 20 0 EAADRO Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[NH2+]CCO3)cnc2n(C)c1=O ZINC000567469972 375071889 /nfs/dbraw/zinc/07/18/89/375071889.db2.gz DUPJKQGSIVSSHT-JTQLQIEISA-N 1 0 333.348 -1.650 20 0 EAADRO Cn1c(=O)c2cc(C(=O)NC[C@H]3C[NH2+]CCO3)cnc2n(C)c1=O ZINC000567469973 375072411 /nfs/dbraw/zinc/07/24/11/375072411.db2.gz DUPJKQGSIVSSHT-SNVBAGLBSA-N 1 0 333.348 -1.650 20 0 EAADRO Cn1c2ncn(CC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2c(=O)n(C)c1=O ZINC000567470014 375072230 /nfs/dbraw/zinc/07/22/30/375072230.db2.gz HSKVABLQBLNQAK-ZJUUUORDSA-N 1 0 332.364 -1.746 20 0 EAADRO COCCOCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567470515 375072223 /nfs/dbraw/zinc/07/22/23/375072223.db2.gz CXROCEHLPZGJOY-GFCCVEGCSA-N 1 0 337.442 -1.234 20 0 EAADRO COCCOCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567470516 375072482 /nfs/dbraw/zinc/07/24/82/375072482.db2.gz CXROCEHLPZGJOY-LBPRGKRZSA-N 1 0 337.442 -1.234 20 0 EAADRO O=C(N1CC(S(=O)(=O)N2CCNCC2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000567500979 375072235 /nfs/dbraw/zinc/07/22/35/375072235.db2.gz ZBLAGYNKARUGHW-IUODEOHRSA-N 1 0 342.465 -1.178 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1C(=O)c1cnn(C)c1 ZINC000567522438 375072404 /nfs/dbraw/zinc/07/24/04/375072404.db2.gz QLFIUZCUPAIWRL-AAEUAGOBSA-N 1 0 348.407 -1.429 20 0 EAADRO C[NH+](C)[C@H]1CN(C(=O)CSCC(=O)N2CCOCC2)C[C@@H]1O ZINC000567547502 375072158 /nfs/dbraw/zinc/07/21/58/375072158.db2.gz WHDFKRPWCALEJI-RYUDHWBXSA-N 1 0 331.438 -1.288 20 0 EAADRO C[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)Cn1ccnc1 ZINC000567557604 375072656 /nfs/dbraw/zinc/07/26/56/375072656.db2.gz HGQNXIUIPOMNSL-JTQLQIEISA-N 1 0 341.393 -1.105 20 0 EAADRO C[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)Cn1ccnc1 ZINC000567557605 375071554 /nfs/dbraw/zinc/07/15/54/375071554.db2.gz HGQNXIUIPOMNSL-SNVBAGLBSA-N 1 0 341.393 -1.105 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000567566317 375072753 /nfs/dbraw/zinc/07/27/53/375072753.db2.gz VNJZUTOLDRTDNZ-UHFFFAOYSA-N 1 0 341.456 -1.323 20 0 EAADRO [NH3+]C1CCC(OCC(=O)NCC(=O)NCCN2CCOCC2)CC1 ZINC000567611144 375072130 /nfs/dbraw/zinc/07/21/30/375072130.db2.gz LGTQSGYBZXMFPK-UHFFFAOYSA-N 1 0 342.440 -1.163 20 0 EAADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)O1 ZINC000567611831 375072641 /nfs/dbraw/zinc/07/26/41/375072641.db2.gz OLGCUNTWTZOBKU-PWSUYJOCSA-N 1 0 332.426 -2.062 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)[C@H](C[NH3+])C1 ZINC000567650931 375072359 /nfs/dbraw/zinc/07/23/59/375072359.db2.gz CINUACWAADANHU-CYBMUJFWSA-N 1 0 347.423 -1.774 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)[C@@H](C[NH3+])C1 ZINC000567650932 375072600 /nfs/dbraw/zinc/07/26/00/375072600.db2.gz CINUACWAADANHU-ZDUSSCGKSA-N 1 0 347.423 -1.774 20 0 EAADRO COC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000567651569 375071810 /nfs/dbraw/zinc/07/18/10/375071810.db2.gz HHNGUQBUINRDEP-NWDGAFQWSA-N 1 0 326.397 -1.501 20 0 EAADRO COC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000567651570 375072329 /nfs/dbraw/zinc/07/23/29/375072329.db2.gz HHNGUQBUINRDEP-RYUDHWBXSA-N 1 0 326.397 -1.501 20 0 EAADRO CCOCCO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000567651616 375071707 /nfs/dbraw/zinc/07/17/07/375071707.db2.gz TYXFMUBESVYTQR-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO CCOCCO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000567651617 375071996 /nfs/dbraw/zinc/07/19/96/375071996.db2.gz TYXFMUBESVYTQR-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO O=C(CCn1nc2ccccn2c1=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567667696 375071675 /nfs/dbraw/zinc/07/16/75/375071675.db2.gz KQAQDJMSPUALIG-UHFFFAOYSA-N 1 0 332.364 -1.566 20 0 EAADRO CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000567674737 375074802 /nfs/dbraw/zinc/07/48/02/375074802.db2.gz AEYVFUZVAOJZCQ-NEPJUHHUSA-N 1 0 335.426 -1.387 20 0 EAADRO CO[C@H](C[NH3+])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000567674738 375074397 /nfs/dbraw/zinc/07/43/97/375074397.db2.gz AEYVFUZVAOJZCQ-NWDGAFQWSA-N 1 0 335.426 -1.387 20 0 EAADRO CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000567674739 375074584 /nfs/dbraw/zinc/07/45/84/375074584.db2.gz AEYVFUZVAOJZCQ-RYUDHWBXSA-N 1 0 335.426 -1.387 20 0 EAADRO CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000567674740 375073611 /nfs/dbraw/zinc/07/36/11/375073611.db2.gz AEYVFUZVAOJZCQ-VXGBXAGGSA-N 1 0 335.426 -1.387 20 0 EAADRO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000567716519 375074538 /nfs/dbraw/zinc/07/45/38/375074538.db2.gz VXBCNBFHTNTJIV-CYZMBNFOSA-N 1 0 340.424 -1.290 20 0 EAADRO CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000567716520 375074969 /nfs/dbraw/zinc/07/49/69/375074969.db2.gz VXBCNBFHTNTJIV-KGYLQXTDSA-N 1 0 340.424 -1.290 20 0 EAADRO CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000567716521 375073495 /nfs/dbraw/zinc/07/34/95/375073495.db2.gz 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344.441 -1.893 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000568392197 375082335 /nfs/dbraw/zinc/08/23/35/375082335.db2.gz LBDLSFUHSLYLCT-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000568392198 375082442 /nfs/dbraw/zinc/08/24/42/375082442.db2.gz LBDLSFUHSLYLCT-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCCC[NH2+]C2CC2)c[nH]1 ZINC000568397204 375083029 /nfs/dbraw/zinc/08/30/29/375083029.db2.gz JZZUHGIETYCVMF-UHFFFAOYSA-N 1 0 343.409 -1.350 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000568403697 375082214 /nfs/dbraw/zinc/08/22/14/375082214.db2.gz LDFKHPDDUZJQOT-QJPTWQEYSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000568403698 375082304 /nfs/dbraw/zinc/08/23/04/375082304.db2.gz LDFKHPDDUZJQOT-SDDRHHMPSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000568403699 375083317 /nfs/dbraw/zinc/08/33/17/375083317.db2.gz LDFKHPDDUZJQOT-SRVKXCTJSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000568403700 375081941 /nfs/dbraw/zinc/08/19/41/375081941.db2.gz LDFKHPDDUZJQOT-TUAOUCFPSA-N 1 0 346.453 -1.278 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCS1 ZINC000568492792 375082595 /nfs/dbraw/zinc/08/25/95/375082595.db2.gz LIBYCPGVNWBRGC-LLVKDONJSA-N 1 0 328.438 -1.112 20 0 EAADRO CC[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCS1 ZINC000568492793 375083001 /nfs/dbraw/zinc/08/30/01/375083001.db2.gz LIBYCPGVNWBRGC-NSHDSACASA-N 1 0 328.438 -1.112 20 0 EAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000568499683 375082670 /nfs/dbraw/zinc/08/26/70/375082670.db2.gz SJUMMDRVEBBBJM-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000568499684 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EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000568520215 375082657 /nfs/dbraw/zinc/08/26/57/375082657.db2.gz XQWNXKGFLMXQDO-UHFFFAOYSA-N 1 0 336.458 -1.360 20 0 EAADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000568534452 375082583 /nfs/dbraw/zinc/08/25/83/375082583.db2.gz IPTOTQWZBNHANX-LLVKDONJSA-N 1 0 340.471 -1.508 20 0 EAADRO C[NH2+][C@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000568534453 374293485 /nfs/dbraw/zinc/29/34/85/374293485.db2.gz IPTOTQWZBNHANX-NSHDSACASA-N 1 0 340.471 -1.508 20 0 EAADRO O=C(NCCS(=O)(=O)c1ccc(F)cc1)C(=O)NC1C[NH2+]C1 ZINC000568609998 375083248 /nfs/dbraw/zinc/08/32/48/375083248.db2.gz DSLYIOISHPYEPF-UHFFFAOYSA-N 1 0 329.353 -1.196 20 0 EAADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000568609999 375082545 /nfs/dbraw/zinc/08/25/45/375082545.db2.gz DTSOHIGUTHRDNF-KBPBESRZSA-N 1 0 342.440 -1.474 20 0 EAADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000568610000 375082085 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CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614514160 375002592 /nfs/dbraw/zinc/00/25/92/375002592.db2.gz ZEOAZLGEPKNUOA-QWHCGFSZSA-N 1 0 330.454 -1.084 20 0 EAADRO CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614514161 375002757 /nfs/dbraw/zinc/00/27/57/375002757.db2.gz ZEOAZLGEPKNUOA-STQMWFEESA-N 1 0 330.454 -1.084 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614520545 375004009 /nfs/dbraw/zinc/00/40/09/375004009.db2.gz FYDOJVJCPLZLRJ-CYBMUJFWSA-N 1 0 348.469 -1.047 20 0 EAADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614521286 375003907 /nfs/dbraw/zinc/00/39/07/375003907.db2.gz NYHRGRCMOMVNLQ-DTZQCDIJSA-N 1 0 340.420 -1.030 20 0 EAADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000614660428 375007702 /nfs/dbraw/zinc/00/77/02/375007702.db2.gz KBTUKCVMUKNJGV-CHWSQXEVSA-N 1 0 348.469 -1.135 20 0 EAADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000614660429 375007454 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O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cnn(C[C@@H](O)CO)c1 ZINC000614661228 375007986 /nfs/dbraw/zinc/00/79/86/375007986.db2.gz OLZUKNUOSSVMCD-ZIAGYGMSSA-N 1 0 326.397 -1.187 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nc4n(n3)CCCN4)CC2)C1=O ZINC000614817950 375009647 /nfs/dbraw/zinc/00/96/47/375009647.db2.gz QAXCRGDTDUUJJY-GFCCVEGCSA-N 1 0 347.423 -1.224 20 0 EAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3nc4n(n3)CCCN4)CC2)C1=O ZINC000614817953 375010216 /nfs/dbraw/zinc/01/02/16/375010216.db2.gz QAXCRGDTDUUJJY-LBPRGKRZSA-N 1 0 347.423 -1.224 20 0 EAADRO C[NH+](C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1N ZINC000614842765 375009765 /nfs/dbraw/zinc/00/97/65/375009765.db2.gz SJFYZLVZGJXLKV-JTQLQIEISA-N 1 0 330.410 -1.414 20 0 EAADRO C[NH+](C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1N ZINC000614842766 375010013 /nfs/dbraw/zinc/01/00/13/375010013.db2.gz SJFYZLVZGJXLKV-SNVBAGLBSA-N 1 0 330.410 -1.414 20 0 EAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614845303 375009441 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1 0 340.424 -1.144 20 0 EAADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627473698 375214201 /nfs/dbraw/zinc/21/42/01/375214201.db2.gz SZVFJDKPNPOIFA-GFCCVEGCSA-N 1 0 326.397 -1.582 20 0 EAADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627473699 375213732 /nfs/dbraw/zinc/21/37/32/375213732.db2.gz SZVFJDKPNPOIFA-LBPRGKRZSA-N 1 0 326.397 -1.582 20 0 EAADRO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473833 375212263 /nfs/dbraw/zinc/21/22/63/375212263.db2.gz XTTXQNQSJMXWFC-GFCCVEGCSA-N 1 0 339.396 -1.500 20 0 EAADRO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473834 375212566 /nfs/dbraw/zinc/21/25/66/375212566.db2.gz XTTXQNQSJMXWFC-LBPRGKRZSA-N 1 0 339.396 -1.500 20 0 EAADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473919 375214315 /nfs/dbraw/zinc/21/43/15/375214315.db2.gz ZVKWCKMJMBJLAH-CHWSQXEVSA-N 1 0 328.413 -1.730 20 0 EAADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473920 375213861 /nfs/dbraw/zinc/21/38/61/375213861.db2.gz ZVKWCKMJMBJLAH-OLZOCXBDSA-N 1 0 328.413 -1.730 20 0 EAADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473921 375213670 /nfs/dbraw/zinc/21/36/70/375213670.db2.gz ZVKWCKMJMBJLAH-QWHCGFSZSA-N 1 0 328.413 -1.730 20 0 EAADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473922 375213979 /nfs/dbraw/zinc/21/39/79/375213979.db2.gz ZVKWCKMJMBJLAH-STQMWFEESA-N 1 0 328.413 -1.730 20 0 EAADRO CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627473937 375214364 /nfs/dbraw/zinc/21/43/64/375214364.db2.gz AEUXDJUSGOINMM-CYBMUJFWSA-N 1 0 328.413 -1.728 20 0 EAADRO CCOCCN1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627473938 375212148 /nfs/dbraw/zinc/21/21/48/375212148.db2.gz AEUXDJUSGOINMM-ZDUSSCGKSA-N 1 0 328.413 -1.728 20 0 EAADRO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000627474019 375213194 /nfs/dbraw/zinc/21/31/94/375213194.db2.gz BWJLHQJUVDCJPC-CYBMUJFWSA-N 1 0 348.407 -1.462 20 0 EAADRO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)n1 ZINC000627474020 375213587 /nfs/dbraw/zinc/21/35/87/375213587.db2.gz BWJLHQJUVDCJPC-ZDUSSCGKSA-N 1 0 348.407 -1.462 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1=O ZINC000627474156 375213566 /nfs/dbraw/zinc/21/35/66/375213566.db2.gz HKZBDGOEXKBFIO-GFCCVEGCSA-N 1 0 342.396 -2.202 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1=O ZINC000627474157 375214031 /nfs/dbraw/zinc/21/40/31/375214031.db2.gz HKZBDGOEXKBFIO-LBPRGKRZSA-N 1 0 342.396 -2.202 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627474240 375213942 /nfs/dbraw/zinc/21/39/42/375213942.db2.gz JGGCRAYHYDXNCW-GHMZBOCLSA-N 1 0 348.425 -2.369 20 0 EAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627474241 375214072 /nfs/dbraw/zinc/21/40/72/375214072.db2.gz JGGCRAYHYDXNCW-MNOVXSKESA-N 1 0 348.425 -2.369 20 0 EAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627474242 375212059 /nfs/dbraw/zinc/21/20/59/375212059.db2.gz JGGCRAYHYDXNCW-QWRGUYRKSA-N 1 0 348.425 -2.369 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627474243 375213921 /nfs/dbraw/zinc/21/39/21/375213921.db2.gz JGGCRAYHYDXNCW-WDEREUQCSA-N 1 0 348.425 -2.369 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000627474337 375212431 /nfs/dbraw/zinc/21/24/31/375212431.db2.gz LVTXANCJAJXLEP-GFCCVEGCSA-N 1 0 334.380 -1.770 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000627474338 375212103 /nfs/dbraw/zinc/21/21/03/375212103.db2.gz LVTXANCJAJXLEP-LBPRGKRZSA-N 1 0 334.380 -1.770 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474387 374602660 /nfs/dbraw/zinc/60/26/60/374602660.db2.gz NHIVCVNQSBVJBM-LLVKDONJSA-N 1 0 328.369 -2.592 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474388 374602852 /nfs/dbraw/zinc/60/28/52/374602852.db2.gz NHIVCVNQSBVJBM-NSHDSACASA-N 1 0 328.369 -2.592 20 0 EAADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627474393 375213327 /nfs/dbraw/zinc/21/33/27/375213327.db2.gz NMUVUGIUWVYTOV-NEPJUHHUSA-N 1 0 339.396 -1.847 20 0 EAADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627474394 375212306 /nfs/dbraw/zinc/21/23/06/375212306.db2.gz NMUVUGIUWVYTOV-NWDGAFQWSA-N 1 0 339.396 -1.847 20 0 EAADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627474395 375213137 /nfs/dbraw/zinc/21/31/37/375213137.db2.gz NMUVUGIUWVYTOV-RYUDHWBXSA-N 1 0 339.396 -1.847 20 0 EAADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627474396 375214050 /nfs/dbraw/zinc/21/40/50/375214050.db2.gz NMUVUGIUWVYTOV-VXGBXAGGSA-N 1 0 339.396 -1.847 20 0 EAADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474530 375212387 /nfs/dbraw/zinc/21/23/87/375212387.db2.gz QNLMXDGKUICOCT-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474531 375212635 /nfs/dbraw/zinc/21/26/35/375212635.db2.gz QNLMXDGKUICOCT-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000627474536 375212867 /nfs/dbraw/zinc/21/28/67/375212867.db2.gz QSZAQUYRVINNCQ-KBPBESRZSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000627474537 375212453 /nfs/dbraw/zinc/21/24/53/375212453.db2.gz QSZAQUYRVINNCQ-KGLIPLIRSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000627474538 375212078 /nfs/dbraw/zinc/21/20/78/375212078.db2.gz QSZAQUYRVINNCQ-UONOGXRCSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000627474539 375212810 /nfs/dbraw/zinc/21/28/10/375212810.db2.gz QSZAQUYRVINNCQ-ZIAGYGMSSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N(CCCO)Cc1ccccn1 ZINC000627474688 375213428 /nfs/dbraw/zinc/21/34/28/375213428.db2.gz VMIRCNDPECLKRY-AWEZNQCLSA-N 1 0 336.392 -1.103 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N(CCCO)Cc1ccccn1 ZINC000627474689 375214222 /nfs/dbraw/zinc/21/42/22/375214222.db2.gz VMIRCNDPECLKRY-CQSZACIVSA-N 1 0 336.392 -1.103 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000627474719 375212970 /nfs/dbraw/zinc/21/29/70/375212970.db2.gz WLCORCPJAQABLV-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000627474720 375212658 /nfs/dbraw/zinc/21/26/58/375212658.db2.gz WLCORCPJAQABLV-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000627474721 375214179 /nfs/dbraw/zinc/21/41/79/375214179.db2.gz WLCORCPJAQABLV-QWHCGFSZSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000627474722 375213303 /nfs/dbraw/zinc/21/33/03/375213303.db2.gz WLCORCPJAQABLV-STQMWFEESA-N 1 0 338.408 -1.296 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474762 375212997 /nfs/dbraw/zinc/21/29/97/375212997.db2.gz WXKGFVRSJDJZOH-GFCCVEGCSA-N 1 0 341.412 -2.629 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474763 375212978 /nfs/dbraw/zinc/21/29/78/375212978.db2.gz WXKGFVRSJDJZOH-LBPRGKRZSA-N 1 0 341.412 -2.629 20 0 EAADRO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627474884 375213059 /nfs/dbraw/zinc/21/30/59/375213059.db2.gz ZTXRTFOQPMTOFE-GHMZBOCLSA-N 1 0 328.413 -1.147 20 0 EAADRO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627474885 375212174 /nfs/dbraw/zinc/21/21/74/375212174.db2.gz ZTXRTFOQPMTOFE-MNOVXSKESA-N 1 0 328.413 -1.147 20 0 EAADRO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627474886 375213823 /nfs/dbraw/zinc/21/38/23/375213823.db2.gz ZTXRTFOQPMTOFE-QWRGUYRKSA-N 1 0 328.413 -1.147 20 0 EAADRO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627474887 375213475 /nfs/dbraw/zinc/21/34/75/375213475.db2.gz ZTXRTFOQPMTOFE-WDEREUQCSA-N 1 0 328.413 -1.147 20 0 EAADRO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cn1 ZINC000627474942 375216245 /nfs/dbraw/zinc/21/62/45/375216245.db2.gz BOOOARCJECQBRP-GFCCVEGCSA-N 1 0 336.396 -1.827 20 0 EAADRO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)cn1 ZINC000627474943 375215229 /nfs/dbraw/zinc/21/52/29/375215229.db2.gz BOOOARCJECQBRP-LBPRGKRZSA-N 1 0 336.396 -1.827 20 0 EAADRO CCCN1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1=O ZINC000627474992 375216475 /nfs/dbraw/zinc/21/64/75/375216475.db2.gz CTDZPZXCNKXFJH-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CCCN1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1=O ZINC000627474993 375215274 /nfs/dbraw/zinc/21/52/74/375215274.db2.gz CTDZPZXCNKXFJH-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO COCCO[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475017 375215262 /nfs/dbraw/zinc/21/52/62/375215262.db2.gz DDAXTFVDSBBIRI-CHWSQXEVSA-N 1 0 329.397 -1.255 20 0 EAADRO COCCO[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475018 375216187 /nfs/dbraw/zinc/21/61/87/375216187.db2.gz DDAXTFVDSBBIRI-OLZOCXBDSA-N 1 0 329.397 -1.255 20 0 EAADRO COCCO[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475019 375216264 /nfs/dbraw/zinc/21/62/64/375216264.db2.gz DDAXTFVDSBBIRI-QWHCGFSZSA-N 1 0 329.397 -1.255 20 0 EAADRO COCCO[C@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475020 375216370 /nfs/dbraw/zinc/21/63/70/375216370.db2.gz DDAXTFVDSBBIRI-STQMWFEESA-N 1 0 329.397 -1.255 20 0 EAADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475137 375215133 /nfs/dbraw/zinc/21/51/33/375215133.db2.gz GEXBFVQRUPFLJL-NEPJUHHUSA-N 1 0 341.412 -1.695 20 0 EAADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475138 375216389 /nfs/dbraw/zinc/21/63/89/375216389.db2.gz GEXBFVQRUPFLJL-NWDGAFQWSA-N 1 0 341.412 -1.695 20 0 EAADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475139 375216299 /nfs/dbraw/zinc/21/62/99/375216299.db2.gz GEXBFVQRUPFLJL-RYUDHWBXSA-N 1 0 341.412 -1.695 20 0 EAADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475140 375216048 /nfs/dbraw/zinc/21/60/48/375216048.db2.gz GEXBFVQRUPFLJL-VXGBXAGGSA-N 1 0 341.412 -1.695 20 0 EAADRO CC(C)OC[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC000627475163 375215944 /nfs/dbraw/zinc/21/59/44/375215944.db2.gz GPMLHUGGZZYGGT-CHWSQXEVSA-N 1 0 329.397 -1.257 20 0 EAADRO CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC000627475164 375216318 /nfs/dbraw/zinc/21/63/18/375216318.db2.gz GPMLHUGGZZYGGT-OLZOCXBDSA-N 1 0 329.397 -1.257 20 0 EAADRO CC(C)OC[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC000627475165 375215459 /nfs/dbraw/zinc/21/54/59/375215459.db2.gz GPMLHUGGZZYGGT-QWHCGFSZSA-N 1 0 329.397 -1.257 20 0 EAADRO CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC000627475166 375216150 /nfs/dbraw/zinc/21/61/50/375216150.db2.gz GPMLHUGGZZYGGT-STQMWFEESA-N 1 0 329.397 -1.257 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000627475282 375216212 /nfs/dbraw/zinc/21/62/12/375216212.db2.gz JTAMOGKMUSABHZ-HNNXBMFYSA-N 1 0 347.419 -1.170 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000627475283 375215549 /nfs/dbraw/zinc/21/55/49/375215549.db2.gz JTAMOGKMUSABHZ-OAHLLOKOSA-N 1 0 347.419 -1.170 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000627475330 375216086 /nfs/dbraw/zinc/21/60/86/375216086.db2.gz KLXCJTSKOUOXDN-GFCCVEGCSA-N 1 0 348.407 -1.323 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000627475331 375216017 /nfs/dbraw/zinc/21/60/17/375216017.db2.gz KLXCJTSKOUOXDN-LBPRGKRZSA-N 1 0 348.407 -1.323 20 0 EAADRO COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627475357 375215763 /nfs/dbraw/zinc/21/57/63/375215763.db2.gz LGQNBGKGCVOQLN-CYBMUJFWSA-N 1 0 342.440 -1.340 20 0 EAADRO COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627475358 375215306 /nfs/dbraw/zinc/21/53/06/375215306.db2.gz LGQNBGKGCVOQLN-ZDUSSCGKSA-N 1 0 342.440 -1.340 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000627475425 375215692 /nfs/dbraw/zinc/21/56/92/375215692.db2.gz MFAVRONKHLQPFO-CHWSQXEVSA-N 1 0 326.397 -1.976 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000627475426 375216120 /nfs/dbraw/zinc/21/61/20/375216120.db2.gz MFAVRONKHLQPFO-OLZOCXBDSA-N 1 0 326.397 -1.976 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000627475427 375215625 /nfs/dbraw/zinc/21/56/25/375215625.db2.gz MFAVRONKHLQPFO-QWHCGFSZSA-N 1 0 326.397 -1.976 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000627475428 375215416 /nfs/dbraw/zinc/21/54/16/375215416.db2.gz MFAVRONKHLQPFO-STQMWFEESA-N 1 0 326.397 -1.976 20 0 EAADRO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475495 375216166 /nfs/dbraw/zinc/21/61/66/375216166.db2.gz NUURKHGWMIFNBH-AAEUAGOBSA-N 1 0 337.380 -1.575 20 0 EAADRO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475496 375215471 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CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000629790491 374938757 /nfs/dbraw/zinc/93/87/57/374938757.db2.gz UNPACPCHPVVFOT-UHFFFAOYSA-N 1 0 348.407 -1.364 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000629791233 374938438 /nfs/dbraw/zinc/93/84/38/374938438.db2.gz TZCOKXLMVMXLLL-UHFFFAOYSA-N 1 0 336.396 -1.441 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000629792171 374938363 /nfs/dbraw/zinc/93/83/63/374938363.db2.gz XRIZQKKSFWHFSJ-UHFFFAOYSA-N 1 0 339.396 -2.257 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000629793181 374938973 /nfs/dbraw/zinc/93/89/73/374938973.db2.gz ATQICIJTITTYQK-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000629793182 374938153 /nfs/dbraw/zinc/93/81/53/374938153.db2.gz ATQICIJTITTYQK-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000629793183 374938990 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C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000629796792 374940932 /nfs/dbraw/zinc/94/09/32/374940932.db2.gz KUSSXGIHTDULIS-ZDUSSCGKSA-N 1 0 328.413 -1.776 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000629797073 374940119 /nfs/dbraw/zinc/94/01/19/374940119.db2.gz AGKBRBCJBUHNDS-LLVKDONJSA-N 1 0 327.303 -1.054 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000629797084 374940617 /nfs/dbraw/zinc/94/06/17/374940617.db2.gz AGKBRBCJBUHNDS-NSHDSACASA-N 1 0 327.303 -1.054 20 0 EAADRO CC(C)OCCN1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629797494 374939157 /nfs/dbraw/zinc/93/91/57/374939157.db2.gz CWWGXHQAYVWJKP-UHFFFAOYSA-N 1 0 344.456 -1.011 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000629797787 374939267 /nfs/dbraw/zinc/93/92/67/374939267.db2.gz QHQMFASWTXCGIH-CYBMUJFWSA-N 1 0 344.412 -1.956 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000629797790 374938909 /nfs/dbraw/zinc/93/89/09/374938909.db2.gz 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C[C@@H]1CN(CCN(C)C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629798600 374938299 /nfs/dbraw/zinc/93/82/99/374938299.db2.gz UUYROJBHYSQNPS-OKILXGFUSA-N 1 0 344.456 -1.012 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000629798654 374938930 /nfs/dbraw/zinc/93/89/30/374938930.db2.gz VAWVOJAGHYJQHK-UHFFFAOYSA-N 1 0 328.413 -1.240 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000629798739 374938876 /nfs/dbraw/zinc/93/88/76/374938876.db2.gz VRQUQQWMVUHHFM-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000629798741 374938899 /nfs/dbraw/zinc/93/88/99/374938899.db2.gz VRQUQQWMVUHHFM-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000629798851 374938412 /nfs/dbraw/zinc/93/84/12/374938412.db2.gz LTKRAVRUOARPFK-UHFFFAOYSA-N 1 0 342.440 -1.257 20 0 EAADRO CC(C)CN1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1=O ZINC000629799101 374938467 /nfs/dbraw/zinc/93/84/67/374938467.db2.gz FGTAERGVUCMERN-UHFFFAOYSA-N 1 0 328.413 -1.253 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000629799694 374938818 /nfs/dbraw/zinc/93/88/18/374938818.db2.gz KGMYHJDGHAGDQB-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000629799695 374938250 /nfs/dbraw/zinc/93/82/50/374938250.db2.gz KGMYHJDGHAGDQB-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000629799722 374939352 /nfs/dbraw/zinc/93/93/52/374939352.db2.gz KRHOTWJABSGPBO-UHFFFAOYSA-N 1 0 343.428 -2.172 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000629799878 374938277 /nfs/dbraw/zinc/93/82/77/374938277.db2.gz VXCJHFFKNRLDRO-UHFFFAOYSA-N 1 0 336.396 -1.764 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000629800397 374938637 /nfs/dbraw/zinc/93/86/37/374938637.db2.gz RPYCPUCGOJCCJZ-UHFFFAOYSA-N 1 0 327.429 -1.584 20 0 EAADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629800483 374938495 /nfs/dbraw/zinc/93/84/95/374938495.db2.gz VAFHBSSUVTXISI-GFCCVEGCSA-N 1 0 328.413 -1.111 20 0 EAADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629800484 374939278 /nfs/dbraw/zinc/93/92/78/374939278.db2.gz VAFHBSSUVTXISI-LBPRGKRZSA-N 1 0 328.413 -1.111 20 0 EAADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629800965 374939167 /nfs/dbraw/zinc/93/91/67/374939167.db2.gz FPFKRCIRGNSCEY-HNNXBMFYSA-N 1 0 328.413 -1.335 20 0 EAADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629800966 374938501 /nfs/dbraw/zinc/93/85/01/374938501.db2.gz FPFKRCIRGNSCEY-OAHLLOKOSA-N 1 0 328.413 -1.335 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000629801396 374938269 /nfs/dbraw/zinc/93/82/69/374938269.db2.gz LMCWQKSMRFAFRV-GFCCVEGCSA-N 1 0 341.412 -1.517 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000629801397 374938240 /nfs/dbraw/zinc/93/82/40/374938240.db2.gz LMCWQKSMRFAFRV-LBPRGKRZSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000629801427 374938131 /nfs/dbraw/zinc/93/81/31/374938131.db2.gz MHWHHHYAPDYVTO-GFCCVEGCSA-N 1 0 328.413 -1.205 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000629801428 374938144 /nfs/dbraw/zinc/93/81/44/374938144.db2.gz MHWHHHYAPDYVTO-LBPRGKRZSA-N 1 0 328.413 -1.205 20 0 EAADRO CCN1CCCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)CC1=O ZINC000629801451 374938890 /nfs/dbraw/zinc/93/88/90/374938890.db2.gz GEWSHIQCBAFIPN-UHFFFAOYSA-N 1 0 328.413 -1.238 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1=O ZINC000629801538 374938354 /nfs/dbraw/zinc/93/83/54/374938354.db2.gz HGJBWHHQVPUNJZ-UHFFFAOYSA-N 1 0 344.412 -1.873 20 0 EAADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629801605 374939237 /nfs/dbraw/zinc/93/92/37/374939237.db2.gz NCCLVBKOAMYMGD-CYBMUJFWSA-N 1 0 330.429 -1.401 20 0 EAADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629801606 374939033 /nfs/dbraw/zinc/93/90/33/374939033.db2.gz NCCLVBKOAMYMGD-ZDUSSCGKSA-N 1 0 330.429 -1.401 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000629801889 374938754 /nfs/dbraw/zinc/93/87/54/374938754.db2.gz DCEVMEHZUANODJ-CHWSQXEVSA-N 1 0 331.413 -1.321 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000629801890 374938771 /nfs/dbraw/zinc/93/87/71/374938771.db2.gz DCEVMEHZUANODJ-OLZOCXBDSA-N 1 0 331.413 -1.321 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000629801891 374938164 /nfs/dbraw/zinc/93/81/64/374938164.db2.gz DCEVMEHZUANODJ-QWHCGFSZSA-N 1 0 331.413 -1.321 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000629801892 374939345 /nfs/dbraw/zinc/93/93/45/374939345.db2.gz DCEVMEHZUANODJ-STQMWFEESA-N 1 0 331.413 -1.321 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000629801915 374938711 /nfs/dbraw/zinc/93/87/11/374938711.db2.gz DJBZKEBGQMMGGM-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000629802101 374939250 /nfs/dbraw/zinc/93/92/50/374939250.db2.gz KTRSRVZVBACSGU-GFCCVEGCSA-N 1 0 346.453 -1.180 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000629802102 374938213 /nfs/dbraw/zinc/93/82/13/374938213.db2.gz KTRSRVZVBACSGU-LBPRGKRZSA-N 1 0 346.453 -1.180 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 ZINC000629802221 374940921 /nfs/dbraw/zinc/94/09/21/374940921.db2.gz SIWSERGPOHIHBM-CHWSQXEVSA-N 1 0 331.413 -1.057 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H](C)O[C@H](COC)C1 ZINC000629802224 374940568 /nfs/dbraw/zinc/94/05/68/374940568.db2.gz SIWSERGPOHIHBM-OLZOCXBDSA-N 1 0 331.413 -1.057 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@H](COC)O[C@@H](C)C1 ZINC000629802226 374940753 /nfs/dbraw/zinc/94/07/53/374940753.db2.gz SIWSERGPOHIHBM-QWHCGFSZSA-N 1 0 331.413 -1.057 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 ZINC000629802227 374940542 /nfs/dbraw/zinc/94/05/42/374940542.db2.gz SIWSERGPOHIHBM-STQMWFEESA-N 1 0 331.413 -1.057 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH2+]C)CCO1 ZINC000629802664 374940384 /nfs/dbraw/zinc/94/03/84/374940384.db2.gz OBPUAHUDAURLKX-LLVKDONJSA-N 1 0 330.385 -2.346 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH2+]C)CCO1 ZINC000629802665 374941047 /nfs/dbraw/zinc/94/10/47/374941047.db2.gz OBPUAHUDAURLKX-NSHDSACASA-N 1 0 330.385 -2.346 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CCO1 ZINC000629803019 374940913 /nfs/dbraw/zinc/94/09/13/374940913.db2.gz BCIHFQJQIRHOMU-GFCCVEGCSA-N 1 0 341.412 -1.660 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CCO1 ZINC000629803020 374941036 /nfs/dbraw/zinc/94/10/36/374941036.db2.gz BCIHFQJQIRHOMU-LBPRGKRZSA-N 1 0 341.412 -1.660 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CCO1 ZINC000629803034 374941109 /nfs/dbraw/zinc/94/11/09/374941109.db2.gz BJRWNWSKSFJFAW-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CCO1 ZINC000629803035 374941177 /nfs/dbraw/zinc/94/11/77/374941177.db2.gz BJRWNWSKSFJFAW-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CCO1 ZINC000629803036 374941172 /nfs/dbraw/zinc/94/11/72/374941172.db2.gz BJRWNWSKSFJFAW-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CCO1 ZINC000629803037 374941055 /nfs/dbraw/zinc/94/10/55/374941055.db2.gz BJRWNWSKSFJFAW-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000629803078 374940667 /nfs/dbraw/zinc/94/06/67/374940667.db2.gz QDDGPDSIIPVXRF-UHFFFAOYSA-N 1 0 331.417 -1.590 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629803182 374941066 /nfs/dbraw/zinc/94/10/66/374941066.db2.gz RHLSSJCECXQAFI-KNXALSJPSA-N 1 0 338.408 -1.582 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629803183 374940498 /nfs/dbraw/zinc/94/04/98/374940498.db2.gz RHLSSJCECXQAFI-LYRGGWFBSA-N 1 0 338.408 -1.582 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000629803191 374940657 /nfs/dbraw/zinc/94/06/57/374940657.db2.gz RLMNRWDAYHJIPI-CHWSQXEVSA-N 1 0 329.397 -1.174 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000629803193 374940761 /nfs/dbraw/zinc/94/07/61/374940761.db2.gz RLMNRWDAYHJIPI-OLZOCXBDSA-N 1 0 329.397 -1.174 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000629803194 374940836 /nfs/dbraw/zinc/94/08/36/374940836.db2.gz RLMNRWDAYHJIPI-QWHCGFSZSA-N 1 0 329.397 -1.174 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000629803196 374940967 /nfs/dbraw/zinc/94/09/67/374940967.db2.gz RLMNRWDAYHJIPI-STQMWFEESA-N 1 0 329.397 -1.174 20 0 EAADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629803247 374940691 /nfs/dbraw/zinc/94/06/91/374940691.db2.gz BRTWXGPMFHDNHV-NEPJUHHUSA-N 1 0 328.413 -1.079 20 0 EAADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629803250 374940978 /nfs/dbraw/zinc/94/09/78/374940978.db2.gz BRTWXGPMFHDNHV-NWDGAFQWSA-N 1 0 328.413 -1.079 20 0 EAADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629803251 374941021 /nfs/dbraw/zinc/94/10/21/374941021.db2.gz BRTWXGPMFHDNHV-RYUDHWBXSA-N 1 0 328.413 -1.079 20 0 EAADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629803253 374940647 /nfs/dbraw/zinc/94/06/47/374940647.db2.gz BRTWXGPMFHDNHV-VXGBXAGGSA-N 1 0 328.413 -1.079 20 0 EAADRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2nccnn2)CC1 ZINC000629803791 374940357 /nfs/dbraw/zinc/94/03/57/374940357.db2.gz HUSLTCANCRJATF-OLZOCXBDSA-N 1 0 345.407 -1.127 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)[C@H](C[NH3+])C1 ZINC000629803925 374940343 /nfs/dbraw/zinc/94/03/43/374940343.db2.gz ARAXWJTUDYLRIX-GRYCIOLGSA-N 1 0 326.397 -1.325 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)[C@H](C[NH3+])C1 ZINC000629803930 374940573 /nfs/dbraw/zinc/94/05/73/374940573.db2.gz ARAXWJTUDYLRIX-WOPDTQHZSA-N 1 0 326.397 -1.325 20 0 EAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000629804153 374940239 /nfs/dbraw/zinc/94/02/39/374940239.db2.gz IUWHYFPLOAYREJ-GFCCVEGCSA-N 1 0 333.396 -1.269 20 0 EAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000629804154 374940849 /nfs/dbraw/zinc/94/08/49/374940849.db2.gz IUWHYFPLOAYREJ-LBPRGKRZSA-N 1 0 333.396 -1.269 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCO1 ZINC000629804210 374940167 /nfs/dbraw/zinc/94/01/67/374940167.db2.gz KBQVTGITRYRGDH-LLVKDONJSA-N 1 0 327.385 -2.035 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCO1 ZINC000629804211 374941204 /nfs/dbraw/zinc/94/12/04/374941204.db2.gz KBQVTGITRYRGDH-NSHDSACASA-N 1 0 327.385 -2.035 20 0 EAADRO CCCN1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1=O ZINC000629804289 374942251 /nfs/dbraw/zinc/94/22/51/374942251.db2.gz XAKNCRCMAVFOOL-UHFFFAOYSA-N 1 0 328.413 -1.109 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(CCOCCOC)CC1 ZINC000629804304 374942684 /nfs/dbraw/zinc/94/26/84/374942684.db2.gz DSRPVTOVBGAYNP-UHFFFAOYSA-N 1 0 330.429 -1.399 20 0 EAADRO O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000629804552 374942204 /nfs/dbraw/zinc/94/22/04/374942204.db2.gz KTXHJTBNBRCFMB-INIZCTEOSA-N 1 0 345.407 -1.268 20 0 EAADRO O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000629804553 374942068 /nfs/dbraw/zinc/94/20/68/374942068.db2.gz KTXHJTBNBRCFMB-MRXNPFEDSA-N 1 0 345.407 -1.268 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCO1 ZINC000629804588 374942131 /nfs/dbraw/zinc/94/21/31/374942131.db2.gz LMCIPBQMJBQAER-LOWDOPEQSA-N 1 0 338.408 -1.325 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCO1 ZINC000629804589 374942766 /nfs/dbraw/zinc/94/27/66/374942766.db2.gz LMCIPBQMJBQAER-QNWHQSFQSA-N 1 0 338.408 -1.325 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCO1 ZINC000629804590 374942608 /nfs/dbraw/zinc/94/26/08/374942608.db2.gz LMCIPBQMJBQAER-RNJOBUHISA-N 1 0 338.408 -1.325 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCO1 ZINC000629804591 374942163 /nfs/dbraw/zinc/94/21/63/374942163.db2.gz LMCIPBQMJBQAER-UMSGYPCISA-N 1 0 338.408 -1.325 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CCO1 ZINC000629804599 374942888 /nfs/dbraw/zinc/94/28/88/374942888.db2.gz LQLMDKIMFWNUAP-GHMZBOCLSA-N 1 0 327.385 -2.037 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CCO1 ZINC000629804600 374942661 /nfs/dbraw/zinc/94/26/61/374942661.db2.gz LQLMDKIMFWNUAP-MNOVXSKESA-N 1 0 327.385 -2.037 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCO1 ZINC000629804601 374941903 /nfs/dbraw/zinc/94/19/03/374941903.db2.gz LQLMDKIMFWNUAP-QWRGUYRKSA-N 1 0 327.385 -2.037 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCO1 ZINC000629804602 374941895 /nfs/dbraw/zinc/94/18/95/374941895.db2.gz 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ZINC000629805023 374941980 /nfs/dbraw/zinc/94/19/80/374941980.db2.gz IPMOIIDSPFRGOE-LOIXOFCESA-N 1 0 339.396 -1.908 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC000629805024 374942002 /nfs/dbraw/zinc/94/20/02/374942002.db2.gz IPMOIIDSPFRGOE-VTWZXRTESA-N 1 0 339.396 -1.908 20 0 EAADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000629805219 374942926 /nfs/dbraw/zinc/94/29/26/374942926.db2.gz LEXONWJUACKKHG-UHFFFAOYSA-N 1 0 331.380 -1.530 20 0 EAADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2nccnn2)CC1 ZINC000629805566 374942748 /nfs/dbraw/zinc/94/27/48/374942748.db2.gz AOQIQMCMPWUANT-CHWSQXEVSA-N 1 0 345.407 -1.269 20 0 EAADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2nccnn2)CC1 ZINC000629805569 374942562 /nfs/dbraw/zinc/94/25/62/374942562.db2.gz AOQIQMCMPWUANT-OLZOCXBDSA-N 1 0 345.407 -1.269 20 0 EAADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2nccnn2)CC1 ZINC000629805571 374942776 /nfs/dbraw/zinc/94/27/76/374942776.db2.gz 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CCCN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000629805748 374942015 /nfs/dbraw/zinc/94/20/15/374942015.db2.gz RSAMQCPBDYMBIU-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO CCCN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000629805749 374941840 /nfs/dbraw/zinc/94/18/40/374941840.db2.gz RSAMQCPBDYMBIU-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO CCCN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000629805750 374941857 /nfs/dbraw/zinc/94/18/57/374941857.db2.gz RSAMQCPBDYMBIU-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCO1 ZINC000629805758 374942499 /nfs/dbraw/zinc/94/24/99/374942499.db2.gz RZCGGHDYYDVLON-LLVKDONJSA-N 1 0 343.428 -1.414 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCO1 ZINC000629805759 374941879 /nfs/dbraw/zinc/94/18/79/374941879.db2.gz RZCGGHDYYDVLON-NSHDSACASA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000629805765 374942642 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341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CCO1 ZINC000629805802 374942796 /nfs/dbraw/zinc/94/27/96/374942796.db2.gz SMZNXRGFZDDVSA-IJLUTSLNSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CCO1 ZINC000629805803 374942305 /nfs/dbraw/zinc/94/23/05/374942305.db2.gz SMZNXRGFZDDVSA-QJPTWQEYSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CCO1 ZINC000629805804 374942491 /nfs/dbraw/zinc/94/24/91/374942491.db2.gz SMZNXRGFZDDVSA-SDDRHHMPSA-N 1 0 341.412 -1.662 20 0 EAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCO1 ZINC000629806061 374941917 /nfs/dbraw/zinc/94/19/17/374941917.db2.gz UCPQOFBKDWBWGN-NEPJUHHUSA-N 1 0 349.395 -1.905 20 0 EAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCO1 ZINC000629806062 374942022 /nfs/dbraw/zinc/94/20/22/374942022.db2.gz UCPQOFBKDWBWGN-NWDGAFQWSA-N 1 0 349.395 -1.905 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCO1 ZINC000629806063 374942619 /nfs/dbraw/zinc/94/26/19/374942619.db2.gz UCPQOFBKDWBWGN-RYUDHWBXSA-N 1 0 349.395 -1.905 20 0 EAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCO1 ZINC000629806064 374941931 /nfs/dbraw/zinc/94/19/31/374941931.db2.gz UCPQOFBKDWBWGN-VXGBXAGGSA-N 1 0 349.395 -1.905 20 0 EAADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000629806070 374942143 /nfs/dbraw/zinc/94/21/43/374942143.db2.gz UFJQEPMEQKIODH-UHFFFAOYSA-N 1 0 335.412 -1.037 20 0 EAADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000629806088 374942218 /nfs/dbraw/zinc/94/22/18/374942218.db2.gz UNUSGNYATGJSSS-UHFFFAOYSA-N 1 0 333.396 -1.283 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000629806179 374943556 /nfs/dbraw/zinc/94/35/56/374943556.db2.gz SBTYQIUHUGWFFG-UHFFFAOYSA-N 1 0 339.400 -2.103 20 0 EAADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629806271 374943791 /nfs/dbraw/zinc/94/37/91/374943791.db2.gz TWXNYKYOSXBXFP-GFCCVEGCSA-N 1 0 343.428 -1.366 20 0 EAADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629806276 374943498 /nfs/dbraw/zinc/94/34/98/374943498.db2.gz TWXNYKYOSXBXFP-LBPRGKRZSA-N 1 0 343.428 -1.366 20 0 EAADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000629806418 374943806 /nfs/dbraw/zinc/94/38/06/374943806.db2.gz WOFWDKDNBXQFSZ-UHFFFAOYSA-N 1 0 347.423 -1.022 20 0 EAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3nccnn3)CC1)C2 ZINC000629806453 374943533 /nfs/dbraw/zinc/94/35/33/374943533.db2.gz KZXMRGQJFOJNQY-BLLLJJGKSA-N 1 0 345.407 -1.140 20 0 EAADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCN(c2nccnn2)CC1 ZINC000629806516 374943844 /nfs/dbraw/zinc/94/38/44/374943844.db2.gz XMPYOGHACGYEJJ-CHWSQXEVSA-N 1 0 345.407 -1.269 20 0 EAADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCN(c2nccnn2)CC1 ZINC000629806518 374943549 /nfs/dbraw/zinc/94/35/49/374943549.db2.gz XMPYOGHACGYEJJ-OLZOCXBDSA-N 1 0 345.407 -1.269 20 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ZINC000629806607 374944229 /nfs/dbraw/zinc/94/42/29/374944229.db2.gz VESFYTHGQIXLDU-GRYCIOLGSA-N 1 0 342.396 -2.089 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C[C@H]1C[NH3+] ZINC000629806609 374944060 /nfs/dbraw/zinc/94/40/60/374944060.db2.gz VESFYTHGQIXLDU-IJLUTSLNSA-N 1 0 342.396 -2.089 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@@]1(C)C[NH3+] ZINC000629806627 374943544 /nfs/dbraw/zinc/94/35/44/374943544.db2.gz LOMKBQCQENNMKP-MLGOLLRUSA-N 1 0 347.423 -1.037 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CCO1 ZINC000629806752 374944404 /nfs/dbraw/zinc/94/44/04/374944404.db2.gz XZXBANVQHGDLSX-GHMZBOCLSA-N 1 0 327.385 -2.037 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CCO1 ZINC000629806754 374943758 /nfs/dbraw/zinc/94/37/58/374943758.db2.gz XZXBANVQHGDLSX-MNOVXSKESA-N 1 0 327.385 -2.037 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CCO1 ZINC000629806755 374944038 /nfs/dbraw/zinc/94/40/38/374944038.db2.gz 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[NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC[C@H]1F ZINC000629807901 374943748 /nfs/dbraw/zinc/94/37/48/374943748.db2.gz WKLGCUPPXCHUHY-GHMZBOCLSA-N 1 0 337.359 -1.582 20 0 EAADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629808156 374943525 /nfs/dbraw/zinc/94/35/25/374943525.db2.gz GQGAWJLGCOFUAE-HNNXBMFYSA-N 1 0 333.396 -1.283 20 0 EAADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629808157 374944077 /nfs/dbraw/zinc/94/40/77/374944077.db2.gz GQGAWJLGCOFUAE-OAHLLOKOSA-N 1 0 333.396 -1.283 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000629808214 374943596 /nfs/dbraw/zinc/94/35/96/374943596.db2.gz XRMXBSSHMMLYCD-GMTAPVOTSA-N 1 0 345.375 -1.960 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000629808215 374943817 /nfs/dbraw/zinc/94/38/17/374943817.db2.gz XRMXBSSHMMLYCD-HBNTYKKESA-N 1 0 345.375 -1.960 20 0 EAADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC000629808427 374943631 /nfs/dbraw/zinc/94/36/31/374943631.db2.gz HPGNQSFAPLPKKI-CYBMUJFWSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000629808428 374944326 /nfs/dbraw/zinc/94/43/26/374944326.db2.gz HPGNQSFAPLPKKI-ZDUSSCGKSA-N 1 0 340.424 -1.063 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000629808447 374944030 /nfs/dbraw/zinc/94/40/30/374944030.db2.gz HVZRITDPSLZZHJ-ABAIWWIYSA-N 1 0 341.412 -1.660 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000629808448 374943618 /nfs/dbraw/zinc/94/36/18/374943618.db2.gz HVZRITDPSLZZHJ-IAQYHMDHSA-N 1 0 341.412 -1.660 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000629808449 374943738 /nfs/dbraw/zinc/94/37/38/374943738.db2.gz HVZRITDPSLZZHJ-NHYWBVRUSA-N 1 0 341.412 -1.660 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000629808450 374943797 /nfs/dbraw/zinc/94/37/97/374943797.db2.gz HVZRITDPSLZZHJ-XHDPSFHLSA-N 1 0 341.412 -1.660 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CCO1 ZINC000629808697 374944212 /nfs/dbraw/zinc/94/42/12/374944212.db2.gz IXYLXPLGFVOQNH-GRYCIOLGSA-N 1 0 341.412 -1.648 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CCO1 ZINC000629808698 374944129 /nfs/dbraw/zinc/94/41/29/374944129.db2.gz IXYLXPLGFVOQNH-IJLUTSLNSA-N 1 0 341.412 -1.648 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CCO1 ZINC000629808699 374943962 /nfs/dbraw/zinc/94/39/62/374943962.db2.gz IXYLXPLGFVOQNH-SDDRHHMPSA-N 1 0 341.412 -1.648 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CCO1 ZINC000629808700 374943585 /nfs/dbraw/zinc/94/35/85/374943585.db2.gz IXYLXPLGFVOQNH-TUAOUCFPSA-N 1 0 341.412 -1.648 20 0 EAADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629808715 374944109 /nfs/dbraw/zinc/94/41/09/374944109.db2.gz JGDBQKMFRAHNBG-CYBMUJFWSA-N 1 0 347.423 -1.022 20 0 EAADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629808716 374943729 /nfs/dbraw/zinc/94/37/29/374943729.db2.gz JGDBQKMFRAHNBG-ZDUSSCGKSA-N 1 0 347.423 -1.022 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629808727 374943609 /nfs/dbraw/zinc/94/36/09/374943609.db2.gz JHSHGVNHWXVNTR-GRYCIOLGSA-N 1 0 339.396 -2.179 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629808728 374944358 /nfs/dbraw/zinc/94/43/58/374944358.db2.gz JHSHGVNHWXVNTR-TUAOUCFPSA-N 1 0 339.396 -2.179 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)[C@@H]1C[NH3+] ZINC000629808734 374944181 /nfs/dbraw/zinc/94/41/81/374944181.db2.gz JJJVUXGFNIJQQJ-GRYCIOLGSA-N 1 0 326.397 -1.325 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)[C@@H]1C[NH3+] ZINC000629808735 374943891 /nfs/dbraw/zinc/94/38/91/374943891.db2.gz JJJVUXGFNIJQQJ-IJLUTSLNSA-N 1 0 326.397 -1.325 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)[C@H]1C[NH3+] ZINC000629808736 374943923 /nfs/dbraw/zinc/94/39/23/374943923.db2.gz JJJVUXGFNIJQQJ-UTUOFQBUSA-N 1 0 326.397 -1.325 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)[C@H]1C[NH3+] ZINC000629808737 374944386 /nfs/dbraw/zinc/94/43/86/374944386.db2.gz JJJVUXGFNIJQQJ-WOPDTQHZSA-N 1 0 326.397 -1.325 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@H]1C[NH3+] ZINC000629808968 374941002 /nfs/dbraw/zinc/94/10/02/374941002.db2.gz LUGSPZGQJVOKIE-CHWSQXEVSA-N 1 0 347.423 -1.037 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@@H]1C[NH3+] ZINC000629808969 374940771 /nfs/dbraw/zinc/94/07/71/374940771.db2.gz LUGSPZGQJVOKIE-OLZOCXBDSA-N 1 0 347.423 -1.037 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@H]1C[NH3+] ZINC000629808970 374940467 /nfs/dbraw/zinc/94/04/67/374940467.db2.gz LUGSPZGQJVOKIE-QWHCGFSZSA-N 1 0 347.423 -1.037 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@@H]1C[NH3+] ZINC000629808971 374940475 /nfs/dbraw/zinc/94/04/75/374940475.db2.gz LUGSPZGQJVOKIE-STQMWFEESA-N 1 0 347.423 -1.037 20 0 EAADRO COCC(C)(C)N1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629809280 374943539 /nfs/dbraw/zinc/94/35/39/374943539.db2.gz PEYABCBHPWLHCX-UHFFFAOYSA-N 1 0 344.456 -1.011 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@H](C)[NH2+]1 ZINC000629809287 374943503 /nfs/dbraw/zinc/94/35/03/374943503.db2.gz PILCSUINVKWDEH-RYUDHWBXSA-N 1 0 333.396 -1.271 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@H](C)[NH2+]1 ZINC000629809288 374943862 /nfs/dbraw/zinc/94/38/62/374943862.db2.gz PILCSUINVKWDEH-TXEJJXNPSA-N 1 0 333.396 -1.271 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@@H](C)[NH2+]1 ZINC000629809289 374944152 /nfs/dbraw/zinc/94/41/52/374944152.db2.gz PILCSUINVKWDEH-VXGBXAGGSA-N 1 0 333.396 -1.271 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C[C@@H]1C[NH3+] ZINC000629809290 374943710 /nfs/dbraw/zinc/94/37/10/374943710.db2.gz PISPHTUFJBQSDQ-GRYCIOLGSA-N 1 0 326.397 -1.468 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C[C@H]1C[NH3+] ZINC000629809291 374944364 /nfs/dbraw/zinc/94/43/64/374944364.db2.gz PISPHTUFJBQSDQ-IJLUTSLNSA-N 1 0 326.397 -1.468 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C[C@H]1C[NH3+] ZINC000629809292 374943682 /nfs/dbraw/zinc/94/36/82/374943682.db2.gz PISPHTUFJBQSDQ-UTUOFQBUSA-N 1 0 326.397 -1.468 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C[C@@H]1C[NH3+] ZINC000629809293 374943518 /nfs/dbraw/zinc/94/35/18/374943518.db2.gz PISPHTUFJBQSDQ-WOPDTQHZSA-N 1 0 326.397 -1.468 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCO1 ZINC000629809298 374943483 /nfs/dbraw/zinc/94/34/83/374943483.db2.gz POARKDAYEFZERE-LLVKDONJSA-N 1 0 335.368 -2.294 20 0 EAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCO1 ZINC000629809299 374944275 /nfs/dbraw/zinc/94/42/75/374944275.db2.gz POARKDAYEFZERE-NSHDSACASA-N 1 0 335.368 -2.294 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000629809316 374943563 /nfs/dbraw/zinc/94/35/63/374943563.db2.gz QBLUOSJLFXMTIH-GRYCIOLGSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000629809317 374943679 /nfs/dbraw/zinc/94/36/79/374943679.db2.gz QBLUOSJLFXMTIH-IJLUTSLNSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CCO1 ZINC000629809318 374943646 /nfs/dbraw/zinc/94/36/46/374943646.db2.gz QBLUOSJLFXMTIH-QJPTWQEYSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CCO1 ZINC000629809319 374945559 /nfs/dbraw/zinc/94/55/59/374945559.db2.gz QBLUOSJLFXMTIH-SDDRHHMPSA-N 1 0 341.412 -1.662 20 0 EAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC[NH2+]1 ZINC000629809532 374945035 /nfs/dbraw/zinc/94/50/35/374945035.db2.gz RHIHMEHZVXIPHH-CYBMUJFWSA-N 1 0 347.423 -1.023 20 0 EAADRO CN(CCO)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629809644 374945213 /nfs/dbraw/zinc/94/52/13/374945213.db2.gz ICIPIDHKMZFOSG-UHFFFAOYSA-N 1 0 327.385 -2.394 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCO1 ZINC000629809690 374945485 /nfs/dbraw/zinc/94/54/85/374945485.db2.gz SQBZCJOGXSYWAM-GHMZBOCLSA-N 1 0 343.384 -2.671 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCO1 ZINC000629809691 374945964 /nfs/dbraw/zinc/94/59/64/374945964.db2.gz SQBZCJOGXSYWAM-MNOVXSKESA-N 1 0 343.384 -2.671 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000629809692 374945009 /nfs/dbraw/zinc/94/50/09/374945009.db2.gz SQBZCJOGXSYWAM-QWRGUYRKSA-N 1 0 343.384 -2.671 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000629809693 374945788 /nfs/dbraw/zinc/94/57/88/374945788.db2.gz SQBZCJOGXSYWAM-WDEREUQCSA-N 1 0 343.384 -2.671 20 0 EAADRO O=C(C(=O)N1CCN(c2nccnn2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629809730 374945751 /nfs/dbraw/zinc/94/57/51/374945751.db2.gz STRRLMPVRSXZFW-TXEJJXNPSA-N 1 0 331.380 -1.802 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH2+]C)CCO1 ZINC000629809757 374945101 /nfs/dbraw/zinc/94/51/01/374945101.db2.gz SYLQCJIUSKHELC-LLVKDONJSA-N 1 0 329.401 -1.789 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)CCC[NH2+]C)CCO1 ZINC000629809758 374945256 /nfs/dbraw/zinc/94/52/56/374945256.db2.gz SYLQCJIUSKHELC-NSHDSACASA-N 1 0 329.401 -1.789 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000629809781 374945663 /nfs/dbraw/zinc/94/56/63/374945663.db2.gz UBFWSIBNAAJEDY-GFCCVEGCSA-N 1 0 336.396 -1.077 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000629809782 374945777 /nfs/dbraw/zinc/94/57/77/374945777.db2.gz UBFWSIBNAAJEDY-LBPRGKRZSA-N 1 0 336.396 -1.077 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629809937 374945552 /nfs/dbraw/zinc/94/55/52/374945552.db2.gz VAGBCHFZUQJPEQ-QJPTWQEYSA-N 1 0 326.397 -1.183 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629809938 374945893 /nfs/dbraw/zinc/94/58/93/374945893.db2.gz VAGBCHFZUQJPEQ-SDDRHHMPSA-N 1 0 326.397 -1.183 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629809939 374945767 /nfs/dbraw/zinc/94/57/67/374945767.db2.gz VAGBCHFZUQJPEQ-SRVKXCTJSA-N 1 0 326.397 -1.183 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629809940 374945250 /nfs/dbraw/zinc/94/52/50/374945250.db2.gz VAGBCHFZUQJPEQ-TUAOUCFPSA-N 1 0 326.397 -1.183 20 0 EAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629810110 374945278 /nfs/dbraw/zinc/94/52/78/374945278.db2.gz WKKHDKXYYVUEIH-NWDGAFQWSA-N 1 0 326.397 -1.454 20 0 EAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629810111 374945724 /nfs/dbraw/zinc/94/57/24/374945724.db2.gz WKKHDKXYYVUEIH-VXGBXAGGSA-N 1 0 326.397 -1.454 20 0 EAADRO C[C@@H](O)CN(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629810397 374944988 /nfs/dbraw/zinc/94/49/88/374944988.db2.gz SJVOOLRCIPPJPG-GFCCVEGCSA-N 1 0 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/nfs/dbraw/zinc/88/80/40/374888040.db2.gz WZTINMUNKGKLMP-WDEREUQCSA-N 1 0 334.367 -1.030 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCCO1 ZINC000643503097 374888013 /nfs/dbraw/zinc/88/80/13/374888013.db2.gz JEIUZMHXVXMTMJ-AGIUHOORSA-N 1 0 338.408 -1.168 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CCCO1 ZINC000643503098 374887043 /nfs/dbraw/zinc/88/70/43/374887043.db2.gz JEIUZMHXVXMTMJ-FRRDWIJNSA-N 1 0 338.408 -1.168 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCCO1 ZINC000643503099 374887902 /nfs/dbraw/zinc/88/79/02/374887902.db2.gz JEIUZMHXVXMTMJ-JHJVBQTASA-N 1 0 338.408 -1.168 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCCO1 ZINC000643503100 374888223 /nfs/dbraw/zinc/88/82/23/374888223.db2.gz JEIUZMHXVXMTMJ-UPJWGTAASA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCO1 ZINC000643503127 374888302 /nfs/dbraw/zinc/88/83/02/374888302.db2.gz OMXPFRJDUSCJDR-CYDGBPFRSA-N 1 0 338.408 -1.169 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCO1 ZINC000643503128 374886852 /nfs/dbraw/zinc/88/68/52/374886852.db2.gz OMXPFRJDUSCJDR-LOWDOPEQSA-N 1 0 338.408 -1.169 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCO1 ZINC000643503129 374888216 /nfs/dbraw/zinc/88/82/16/374888216.db2.gz OMXPFRJDUSCJDR-RNJOBUHISA-N 1 0 338.408 -1.169 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CCO1 ZINC000643503130 374887383 /nfs/dbraw/zinc/88/73/83/374887383.db2.gz OMXPFRJDUSCJDR-RVMXOQNASA-N 1 0 338.408 -1.169 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643511144 374890756 /nfs/dbraw/zinc/89/07/56/374890756.db2.gz BYAMKAZDXZKDQH-CHWSQXEVSA-N 1 0 330.429 -1.402 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643511145 374889745 /nfs/dbraw/zinc/88/97/45/374889745.db2.gz BYAMKAZDXZKDQH-OLZOCXBDSA-N 1 0 330.429 -1.402 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643511146 374888963 /nfs/dbraw/zinc/88/89/63/374888963.db2.gz BYAMKAZDXZKDQH-QWHCGFSZSA-N 1 0 330.429 -1.402 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643511147 374890280 /nfs/dbraw/zinc/89/02/80/374890280.db2.gz BYAMKAZDXZKDQH-STQMWFEESA-N 1 0 330.429 -1.402 20 0 EAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCO1 ZINC000643518217 374900991 /nfs/dbraw/zinc/90/09/91/374900991.db2.gz FRBUYZMVOWFMDK-UONOGXRCSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCO1 ZINC000643518218 374900876 /nfs/dbraw/zinc/90/08/76/374900876.db2.gz FRBUYZMVOWFMDK-ZIAGYGMSSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(C)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000643518320 374900663 /nfs/dbraw/zinc/90/06/63/374900663.db2.gz VAJABEUOHVOLQP-NEPJUHHUSA-N 1 0 326.397 -1.360 20 0 EAADRO CC(C)N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000643518323 374900495 /nfs/dbraw/zinc/90/04/95/374900495.db2.gz VAJABEUOHVOLQP-NWDGAFQWSA-N 1 0 326.397 -1.360 20 0 EAADRO CC(C)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000643518324 374900898 /nfs/dbraw/zinc/90/08/98/374900898.db2.gz VAJABEUOHVOLQP-RYUDHWBXSA-N 1 0 326.397 -1.360 20 0 EAADRO CC(C)N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000643518325 374900038 /nfs/dbraw/zinc/90/00/38/374900038.db2.gz VAJABEUOHVOLQP-VXGBXAGGSA-N 1 0 326.397 -1.360 20 0 EAADRO CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000643535146 374904028 /nfs/dbraw/zinc/90/40/28/374904028.db2.gz JNKWESRBLNNYMD-CHWSQXEVSA-N 1 0 340.424 -1.112 20 0 EAADRO CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000643535147 374904957 /nfs/dbraw/zinc/90/49/57/374904957.db2.gz JNKWESRBLNNYMD-OLZOCXBDSA-N 1 0 340.424 -1.112 20 0 EAADRO CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000643535148 374905103 /nfs/dbraw/zinc/90/51/03/374905103.db2.gz JNKWESRBLNNYMD-QWHCGFSZSA-N 1 0 340.424 -1.112 20 0 EAADRO CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000643535149 374904860 /nfs/dbraw/zinc/90/48/60/374904860.db2.gz JNKWESRBLNNYMD-STQMWFEESA-N 1 0 340.424 -1.112 20 0 EAADRO COCCN(C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[C@H]1CCOC1 ZINC000643541669 374237514 /nfs/dbraw/zinc/23/75/14/374237514.db2.gz XILAUFKMMWRHBF-AGIUHOORSA-N 1 0 329.397 -1.175 20 0 EAADRO COCCN(C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[C@H]1CCOC1 ZINC000643541670 374236929 /nfs/dbraw/zinc/23/69/29/374236929.db2.gz XILAUFKMMWRHBF-AVGNSLFASA-N 1 0 329.397 -1.175 20 0 EAADRO COCCN(C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[C@@H]1CCOC1 ZINC000643541671 374236885 /nfs/dbraw/zinc/23/68/85/374236885.db2.gz XILAUFKMMWRHBF-UPJWGTAASA-N 1 0 329.397 -1.175 20 0 EAADRO COCCN(C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[C@@H]1CCOC1 ZINC000643541672 374237272 /nfs/dbraw/zinc/23/72/72/374237272.db2.gz XILAUFKMMWRHBF-XQQFMLRXSA-N 1 0 329.397 -1.175 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCO1 ZINC000643544293 374239594 /nfs/dbraw/zinc/23/95/94/374239594.db2.gz YXIXMJBJPVTVTO-NEPJUHHUSA-N 1 0 326.397 -1.584 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCO1 ZINC000643544294 374238787 /nfs/dbraw/zinc/23/87/87/374238787.db2.gz YXIXMJBJPVTVTO-VXGBXAGGSA-N 1 0 326.397 -1.584 20 0 EAADRO CCN1CCCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000643547028 374238772 /nfs/dbraw/zinc/23/87/72/374238772.db2.gz YQHCSCWAHOPFOK-NEPJUHHUSA-N 1 0 326.397 -1.358 20 0 EAADRO CCN1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000643547029 374239538 /nfs/dbraw/zinc/23/95/38/374239538.db2.gz YQHCSCWAHOPFOK-NWDGAFQWSA-N 1 0 326.397 -1.358 20 0 EAADRO CCN1CCCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000643547030 374239803 /nfs/dbraw/zinc/23/98/03/374239803.db2.gz YQHCSCWAHOPFOK-RYUDHWBXSA-N 1 0 326.397 -1.358 20 0 EAADRO CCN1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000643547031 374238963 /nfs/dbraw/zinc/23/89/63/374238963.db2.gz YQHCSCWAHOPFOK-VXGBXAGGSA-N 1 0 326.397 -1.358 20 0 EAADRO O=C(C(=O)N1CC(=O)N(CC(F)(F)F)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643552810 374241735 /nfs/dbraw/zinc/24/17/35/374241735.db2.gz MUJRADANCGFQKR-DTORHVGOSA-N 1 0 334.298 -1.145 20 0 EAADRO CCOCCOCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000643576859 374245379 /nfs/dbraw/zinc/24/53/79/374245379.db2.gz DXFXNCUBODITSO-CYBMUJFWSA-N 1 0 330.429 -1.401 20 0 EAADRO CCOCCOCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000643576860 374246209 /nfs/dbraw/zinc/24/62/09/374246209.db2.gz DXFXNCUBODITSO-ZDUSSCGKSA-N 1 0 330.429 -1.401 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000643576889 374245928 /nfs/dbraw/zinc/24/59/28/374245928.db2.gz IRVRPHPRVGFOTH-CYBMUJFWSA-N 1 0 341.456 -1.997 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000643576890 374246243 /nfs/dbraw/zinc/24/62/43/374246243.db2.gz IRVRPHPRVGFOTH-ZDUSSCGKSA-N 1 0 341.456 -1.997 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@@H](C[NH3+])C1 ZINC000643576992 374247762 /nfs/dbraw/zinc/24/77/62/374247762.db2.gz XUGUIMFVWQZCNY-IHRRRGAJSA-N 1 0 340.424 -1.506 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@H](C[NH3+])C1 ZINC000643576993 374248184 /nfs/dbraw/zinc/24/81/84/374248184.db2.gz XUGUIMFVWQZCNY-MCIONIFRSA-N 1 0 340.424 -1.506 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@@H](C[NH3+])C1 ZINC000643576994 374247538 /nfs/dbraw/zinc/24/75/38/374247538.db2.gz XUGUIMFVWQZCNY-MJBXVCDLSA-N 1 0 340.424 -1.506 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@H](C[NH3+])C1 ZINC000643576995 374248228 /nfs/dbraw/zinc/24/82/28/374248228.db2.gz XUGUIMFVWQZCNY-RDBSUJKOSA-N 1 0 340.424 -1.506 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CCO1 ZINC000643577415 374247296 /nfs/dbraw/zinc/24/72/96/374247296.db2.gz DWLAGXUQFWNGFP-CRWXNKLISA-N 1 0 342.440 -1.526 20 0 EAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CCO1 ZINC000643577416 374246964 /nfs/dbraw/zinc/24/69/64/374246964.db2.gz DWLAGXUQFWNGFP-RFQIPJPRSA-N 1 0 342.440 -1.526 20 0 EAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CCO1 ZINC000643577417 374248529 /nfs/dbraw/zinc/24/85/29/374248529.db2.gz DWLAGXUQFWNGFP-RQJABVFESA-N 1 0 342.440 -1.526 20 0 EAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CCO1 ZINC000643577418 374247215 /nfs/dbraw/zinc/24/72/15/374247215.db2.gz DWLAGXUQFWNGFP-XJFOESAGSA-N 1 0 342.440 -1.526 20 0 EAADRO COCCO[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643577629 374247914 /nfs/dbraw/zinc/24/79/14/374247914.db2.gz MHNAYXIZOONQJD-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO COCCO[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643577631 374248439 /nfs/dbraw/zinc/24/84/39/374248439.db2.gz MHNAYXIZOONQJD-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643577632 374247494 /nfs/dbraw/zinc/24/74/94/374247494.db2.gz MHNAYXIZOONQJD-UONOGXRCSA-N 1 0 342.440 -1.258 20 0 EAADRO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643577633 374247270 /nfs/dbraw/zinc/24/72/70/374247270.db2.gz MHNAYXIZOONQJD-ZIAGYGMSSA-N 1 0 342.440 -1.258 20 0 EAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCO1 ZINC000643577673 374248302 /nfs/dbraw/zinc/24/83/02/374248302.db2.gz OXABIJFAWLHKOC-CHWSQXEVSA-N 1 0 342.440 -1.524 20 0 EAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCO1 ZINC000643577674 374248050 /nfs/dbraw/zinc/24/80/50/374248050.db2.gz OXABIJFAWLHKOC-OLZOCXBDSA-N 1 0 342.440 -1.524 20 0 EAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCO1 ZINC000643577675 374247599 /nfs/dbraw/zinc/24/75/99/374247599.db2.gz OXABIJFAWLHKOC-QWHCGFSZSA-N 1 0 342.440 -1.524 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCO1 ZINC000643577676 374247973 /nfs/dbraw/zinc/24/79/73/374247973.db2.gz OXABIJFAWLHKOC-STQMWFEESA-N 1 0 342.440 -1.524 20 0 EAADRO O=C(C(=O)N1CCN(CC(F)(F)F)C(=O)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643592242 374248372 /nfs/dbraw/zinc/24/83/72/374248372.db2.gz NKMPFHMOAZDEHM-AOOOYVTPSA-N 1 0 348.325 -1.103 20 0 EAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)CC[NH2+]1 ZINC000643592384 374247099 /nfs/dbraw/zinc/24/70/99/374247099.db2.gz BKJBFDQPVUMQAA-UONOGXRCSA-N 1 0 326.441 -1.032 20 0 EAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)CC[NH2+]1 ZINC000643592489 374247795 /nfs/dbraw/zinc/24/77/95/374247795.db2.gz RAYNTXBEMNYPMK-LLVKDONJSA-N 1 0 339.396 -2.401 20 0 EAADRO Cn1cc(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2=O)cn1 ZINC000643593980 374247696 /nfs/dbraw/zinc/24/76/96/374247696.db2.gz PZCRFZLBDYJWIA-YPMHNXCESA-N 1 0 346.391 -1.584 20 0 EAADRO CS(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000643623883 374271336 /nfs/dbraw/zinc/27/13/36/374271336.db2.gz 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-1.616 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC([NH+](C)C)C1)c(=O)n2C ZINC000646108868 415233031 /nfs/dbraw/zinc/23/30/31/415233031.db2.gz LJHODHZJBWVHNM-UHFFFAOYSA-N 1 0 334.380 -1.358 20 0 EAADRO NS(=O)(=O)CCN1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000646115488 415232033 /nfs/dbraw/zinc/23/20/33/415232033.db2.gz CVLBULSJFYLGFP-LLVKDONJSA-N 1 0 336.483 -1.486 20 0 EAADRO NS(=O)(=O)CCN1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000646115489 415232290 /nfs/dbraw/zinc/23/22/90/415232290.db2.gz CVLBULSJFYLGFP-NSHDSACASA-N 1 0 336.483 -1.486 20 0 EAADRO COCCCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646119950 415233141 /nfs/dbraw/zinc/23/31/41/415233141.db2.gz SODSOEWKFJJJKP-CYBMUJFWSA-N 1 0 348.469 -1.552 20 0 EAADRO COCCCS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646119953 415233262 /nfs/dbraw/zinc/23/32/62/415233262.db2.gz SODSOEWKFJJJKP-ZDUSSCGKSA-N 1 0 348.469 -1.552 20 0 EAADRO CN(CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000646120347 415232525 /nfs/dbraw/zinc/23/25/25/415232525.db2.gz ZECRYYHXMCUWEI-KBPBESRZSA-N 1 0 344.481 -1.389 20 0 EAADRO CN(CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000646120348 415232886 /nfs/dbraw/zinc/23/28/86/415232886.db2.gz ZECRYYHXMCUWEI-KGLIPLIRSA-N 1 0 344.481 -1.389 20 0 EAADRO CN(CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000646120349 415233995 /nfs/dbraw/zinc/23/39/95/415233995.db2.gz ZECRYYHXMCUWEI-UONOGXRCSA-N 1 0 344.481 -1.389 20 0 EAADRO CN(CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000646120350 415231608 /nfs/dbraw/zinc/23/16/08/415231608.db2.gz ZECRYYHXMCUWEI-ZIAGYGMSSA-N 1 0 344.481 -1.389 20 0 EAADRO Cn1ncc2c1ncn(CC(=O)NC[C@@H]1C[N@@H+]3CCN1CCC3)c2=O ZINC000646121874 415230172 /nfs/dbraw/zinc/23/01/72/415230172.db2.gz WVUQDUYMJKFVKU-GFCCVEGCSA-N 1 0 345.407 -1.364 20 0 EAADRO Cn1ncc2c1ncn(CC(=O)NC[C@H]1C[N@@H+]3CCN1CCC3)c2=O ZINC000646121875 415232809 /nfs/dbraw/zinc/23/28/09/415232809.db2.gz WVUQDUYMJKFVKU-LBPRGKRZSA-N 1 0 345.407 -1.364 20 0 EAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)COCC[NH3+])CC1 ZINC000646140704 415231949 /nfs/dbraw/zinc/23/19/49/415231949.db2.gz JZTISGCOUOVXAP-UHFFFAOYSA-N 1 0 337.442 -1.139 20 0 EAADRO CCN1C(=O)[C@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000646181623 415231381 /nfs/dbraw/zinc/23/13/81/415231381.db2.gz ZSNUDBZKZZSLGK-GHMZBOCLSA-N 1 0 337.380 -1.651 20 0 EAADRO CCN1C(=O)[C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000646181624 415232858 /nfs/dbraw/zinc/23/28/58/415232858.db2.gz ZSNUDBZKZZSLGK-MNOVXSKESA-N 1 0 337.380 -1.651 20 0 EAADRO CCN1C(=O)[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000646181625 415230371 /nfs/dbraw/zinc/23/03/71/415230371.db2.gz ZSNUDBZKZZSLGK-QWRGUYRKSA-N 1 0 337.380 -1.651 20 0 EAADRO CCN1C(=O)[C@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000646181626 415233487 /nfs/dbraw/zinc/23/34/87/415233487.db2.gz ZSNUDBZKZZSLGK-WDEREUQCSA-N 1 0 337.380 -1.651 20 0 EAADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000646186833 415230107 /nfs/dbraw/zinc/23/01/07/415230107.db2.gz LVXNKEUNFFFLAL-NEPJUHHUSA-N 1 0 335.474 -1.011 20 0 EAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000646186834 415230053 /nfs/dbraw/zinc/23/00/53/415230053.db2.gz LVXNKEUNFFFLAL-NWDGAFQWSA-N 1 0 335.474 -1.011 20 0 EAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000646186835 415232082 /nfs/dbraw/zinc/23/20/82/415232082.db2.gz LVXNKEUNFFFLAL-RYUDHWBXSA-N 1 0 335.474 -1.011 20 0 EAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000646186836 415233449 /nfs/dbraw/zinc/23/34/49/415233449.db2.gz LVXNKEUNFFFLAL-VXGBXAGGSA-N 1 0 335.474 -1.011 20 0 EAADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)COCC[NH3+] ZINC000646194992 415232772 /nfs/dbraw/zinc/23/27/72/415232772.db2.gz QQTPMBVVOYNTPI-UHFFFAOYSA-N 1 0 345.421 -1.109 20 0 EAADRO CO[C@H](C[NH3+])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000646195005 415233618 /nfs/dbraw/zinc/23/36/18/415233618.db2.gz SRGOQXYARAWONB-GFCCVEGCSA-N 1 0 345.421 -1.111 20 0 EAADRO CO[C@@H](C[NH3+])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000646195006 415232742 /nfs/dbraw/zinc/23/27/42/415232742.db2.gz SRGOQXYARAWONB-LBPRGKRZSA-N 1 0 345.421 -1.111 20 0 EAADRO CN(CCN1CCCS1(=O)=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000646195933 415230510 /nfs/dbraw/zinc/23/05/10/415230510.db2.gz OPEZXHVXYYFUFY-UHFFFAOYSA-N 1 0 347.485 -1.041 20 0 EAADRO CN(CCN1CCCS1(=O)=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000646196026 415230247 /nfs/dbraw/zinc/23/02/47/415230247.db2.gz SNXJHWOBLVMQNM-UHFFFAOYSA-N 1 0 347.441 -1.905 20 0 EAADRO CN(CCN1CCCS1(=O)=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000646196600 415233953 /nfs/dbraw/zinc/23/39/53/415233953.db2.gz OGSOENDLYSJMOD-UHFFFAOYSA-N 1 0 333.458 -1.432 20 0 EAADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000646208612 415233553 /nfs/dbraw/zinc/23/35/53/415233553.db2.gz CLMUMCVMFYMNLB-JTQLQIEISA-N 1 0 348.425 -1.408 20 0 EAADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000646208613 415231215 /nfs/dbraw/zinc/23/12/15/415231215.db2.gz CLMUMCVMFYMNLB-SNVBAGLBSA-N 1 0 348.425 -1.408 20 0 EAADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646210833 415233458 /nfs/dbraw/zinc/23/34/58/415233458.db2.gz IPEXQIRWSIPYRC-GXSJLCMTSA-N 1 0 348.425 -1.003 20 0 EAADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000646210834 415230815 /nfs/dbraw/zinc/23/08/15/415230815.db2.gz IPEXQIRWSIPYRC-ONGXEEELSA-N 1 0 348.425 -1.003 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](CO)C[NH+](C)C)c(=O)n2C ZINC000646210852 415232272 /nfs/dbraw/zinc/23/22/72/415232272.db2.gz JOIPAYIQGQBSBH-SECBINFHSA-N 1 0 338.368 -2.528 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@H](CO)C[NH+](C)C)c(=O)n2C ZINC000646210853 415231360 /nfs/dbraw/zinc/23/13/60/415231360.db2.gz JOIPAYIQGQBSBH-VIFPVBQESA-N 1 0 338.368 -2.528 20 0 EAADRO CN(CC(=O)N[C@@H](CO)C[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000646210916 415231336 /nfs/dbraw/zinc/23/13/36/415231336.db2.gz LRSLUPDWPUKAGH-LLVKDONJSA-N 1 0 330.410 -1.259 20 0 EAADRO CN(CC(=O)N[C@H](CO)C[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000646210917 415231299 /nfs/dbraw/zinc/23/12/99/415231299.db2.gz LRSLUPDWPUKAGH-NSHDSACASA-N 1 0 330.410 -1.259 20 0 EAADRO COCCCS(=O)(=O)NCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646221706 415234092 /nfs/dbraw/zinc/23/40/92/415234092.db2.gz LSOUOXLHWSWIRI-GFCCVEGCSA-N 1 0 337.442 -1.485 20 0 EAADRO COCCCS(=O)(=O)NCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000646221707 415232095 /nfs/dbraw/zinc/23/20/95/415232095.db2.gz LSOUOXLHWSWIRI-LBPRGKRZSA-N 1 0 337.442 -1.485 20 0 EAADRO Cn1ncc2c1ncn(CC(=O)N[C@@H](CO)C[NH+]1CCCC1)c2=O ZINC000646223967 415233633 /nfs/dbraw/zinc/23/36/33/415233633.db2.gz NAHCRQMPQHNRNP-LLVKDONJSA-N 1 0 334.380 -1.297 20 0 EAADRO Cn1ncc2c1ncn(CC(=O)N[C@H](CO)C[NH+]1CCCC1)c2=O ZINC000646223968 415233297 /nfs/dbraw/zinc/23/32/97/415233297.db2.gz NAHCRQMPQHNRNP-NSHDSACASA-N 1 0 334.380 -1.297 20 0 EAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C(C)(C)C(N)=O)CC1=O ZINC000646239404 415230057 /nfs/dbraw/zinc/23/00/57/415230057.db2.gz ZSJPORPZBXVXBM-LLVKDONJSA-N 1 0 328.413 -1.207 20 0 EAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C(C)(C)C(N)=O)CC1=O ZINC000646239409 415231763 /nfs/dbraw/zinc/23/17/63/415231763.db2.gz ZSJPORPZBXVXBM-NSHDSACASA-N 1 0 328.413 -1.207 20 0 EAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)COCC[NH3+])CC2)cn1C ZINC000646252494 415233200 /nfs/dbraw/zinc/23/32/00/415233200.db2.gz ZTJCRTMAOVEKHN-UHFFFAOYSA-N 1 0 345.425 -1.463 20 0 EAADRO NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646254613 415230864 /nfs/dbraw/zinc/23/08/64/415230864.db2.gz PFCNQMWGFWZDBO-KBPBESRZSA-N 1 0 348.403 -1.306 20 0 EAADRO NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646254614 415231118 /nfs/dbraw/zinc/23/11/18/415231118.db2.gz PFCNQMWGFWZDBO-KGLIPLIRSA-N 1 0 348.403 -1.306 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646289935 415231747 /nfs/dbraw/zinc/23/17/47/415231747.db2.gz FJERRTKOUOWLCQ-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646289936 415231056 /nfs/dbraw/zinc/23/10/56/415231056.db2.gz FJERRTKOUOWLCQ-MNOVXSKESA-N 1 0 332.426 -1.605 20 0 EAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646289937 415232494 /nfs/dbraw/zinc/23/24/94/415232494.db2.gz FJERRTKOUOWLCQ-QWRGUYRKSA-N 1 0 332.426 -1.605 20 0 EAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646289938 415233837 /nfs/dbraw/zinc/23/38/37/415233837.db2.gz FJERRTKOUOWLCQ-WDEREUQCSA-N 1 0 332.426 -1.605 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)O1 ZINC000646292283 415231243 /nfs/dbraw/zinc/23/12/43/415231243.db2.gz XPUBAXBKTWLTOR-AGIUHOORSA-N 1 0 340.424 -1.003 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)O1 ZINC000646292285 415232553 /nfs/dbraw/zinc/23/25/53/415232553.db2.gz XPUBAXBKTWLTOR-AVGNSLFASA-N 1 0 340.424 -1.003 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)O1 ZINC000646292286 415232009 /nfs/dbraw/zinc/23/20/09/415232009.db2.gz XPUBAXBKTWLTOR-UPJWGTAASA-N 1 0 340.424 -1.003 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)O1 ZINC000646292287 415233681 /nfs/dbraw/zinc/23/36/81/415233681.db2.gz XPUBAXBKTWLTOR-XQQFMLRXSA-N 1 0 340.424 -1.003 20 0 EAADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000646340277 415240027 /nfs/dbraw/zinc/24/00/27/415240027.db2.gz DRIROSXZCLUCDV-CMPLNLGQSA-N 1 0 327.410 -1.091 20 0 EAADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000646340279 415238584 /nfs/dbraw/zinc/23/85/84/415238584.db2.gz DRIROSXZCLUCDV-JQWIXIFHSA-N 1 0 327.410 -1.091 20 0 EAADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000646340281 415236931 /nfs/dbraw/zinc/23/69/31/415236931.db2.gz DRIROSXZCLUCDV-PWSUYJOCSA-N 1 0 327.410 -1.091 20 0 EAADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000646340283 415237763 /nfs/dbraw/zinc/23/77/63/415237763.db2.gz 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CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CCO1 ZINC000652725099 414956252 /nfs/dbraw/zinc/95/62/52/414956252.db2.gz XKQWEGKDWWUTQU-LBPRGKRZSA-N 1 0 326.397 -1.534 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(CCOC)CC2)C[C@H]1C[NH3+] ZINC000652726162 414956156 /nfs/dbraw/zinc/95/61/56/414956156.db2.gz JEEKYQKYXQFNEU-ZIAGYGMSSA-N 1 0 342.440 -1.401 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)=O)CC2)C[C@H]1C[NH3+] ZINC000652726352 414956175 /nfs/dbraw/zinc/95/61/75/414956175.db2.gz UMFXMGYVNWCKCP-ZIAGYGMSSA-N 1 0 340.424 -1.111 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652728371 414958640 /nfs/dbraw/zinc/95/86/40/414958640.db2.gz HSHXMHCAUTZICN-GMTAPVOTSA-N 1 0 328.369 -2.479 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652728372 414958583 /nfs/dbraw/zinc/95/85/83/414958583.db2.gz HSHXMHCAUTZICN-MXWKQRLJSA-N 1 0 328.369 -2.479 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000652729058 414961626 /nfs/dbraw/zinc/96/16/26/414961626.db2.gz OPTIFIPDRVLXCM-ZIAGYGMSSA-N 1 0 342.440 -1.401 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652729146 414960636 /nfs/dbraw/zinc/96/06/36/414960636.db2.gz UENQWVWGSWLKJJ-IJLUTSLNSA-N 1 0 349.453 -1.300 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652729147 414960397 /nfs/dbraw/zinc/96/03/97/414960397.db2.gz UENQWVWGSWLKJJ-QJPTWQEYSA-N 1 0 349.453 -1.300 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000652729148 414963207 /nfs/dbraw/zinc/96/32/07/414963207.db2.gz UFFBUNVGVPDQDC-GMTAPVOTSA-N 1 0 348.425 -2.302 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000652729149 414961857 /nfs/dbraw/zinc/96/18/57/414961857.db2.gz UFFBUNVGVPDQDC-OUAUKWLOSA-N 1 0 348.425 -2.302 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729438 414961981 /nfs/dbraw/zinc/96/19/81/414961981.db2.gz GDDIIOHTJXWVLN-IACUBPJLSA-N 1 0 340.424 -1.112 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729439 414960630 /nfs/dbraw/zinc/96/06/30/414960630.db2.gz GDDIIOHTJXWVLN-MRVWCRGKSA-N 1 0 340.424 -1.112 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(C)C)C(=O)C2)C[C@H]1C[NH3+] ZINC000652729441 414962476 /nfs/dbraw/zinc/96/24/76/414962476.db2.gz GNCBAOCMEXXVOX-CHWSQXEVSA-N 1 0 340.424 -1.112 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C[C@H]1C[NH3+] ZINC000652729443 414961054 /nfs/dbraw/zinc/96/10/54/414961054.db2.gz GUCMBFLLUUFUQU-HZSPNIEDSA-N 1 0 340.424 -1.648 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C[C@H]1C[NH3+] ZINC000652729444 414962558 /nfs/dbraw/zinc/96/25/58/414962558.db2.gz GUCMBFLLUUFUQU-MGPQQGTHSA-N 1 0 340.424 -1.648 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC(O)(COC)CC2)C[C@H]1C[NH3+] ZINC000652729482 414961404 /nfs/dbraw/zinc/96/14/04/414961404.db2.gz HNXSHTMWJDCSAM-CHWSQXEVSA-N 1 0 343.424 -1.192 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652729493 414960737 /nfs/dbraw/zinc/96/07/37/414960737.db2.gz IBEOFCXGGGUESG-IJLUTSLNSA-N 1 0 326.397 -1.502 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652729494 414961903 /nfs/dbraw/zinc/96/19/03/414961903.db2.gz IBEOFCXGGGUESG-QJPTWQEYSA-N 1 0 326.397 -1.502 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCn3nc(C)nc3C2)C[C@H]1C[NH3+] ZINC000652729537 414960180 /nfs/dbraw/zinc/96/01/80/414960180.db2.gz JOMBAUVEDZRNJO-VXGBXAGGSA-N 1 0 336.396 -1.249 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(CC)C(=O)C2)C[C@H]1C[NH3+] ZINC000652729591 414961021 /nfs/dbraw/zinc/96/10/21/414961021.db2.gz LDHMHWIEZCAQBZ-VXGBXAGGSA-N 1 0 326.397 -1.501 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C[C@H]1C[NH3+] ZINC000652729675 414961587 /nfs/dbraw/zinc/96/15/87/414961587.db2.gz PGCXDJREDKQSBM-DGCLKSJQSA-N 1 0 338.408 -1.358 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](COC)C2)C[C@H]1C[NH3+] ZINC000652729842 414964352 /nfs/dbraw/zinc/96/43/52/414964352.db2.gz XVAYYSNLHMGVRF-FRRDWIJNSA-N 1 0 329.397 -1.318 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](COC)C2)C[C@H]1C[NH3+] ZINC000652729843 414965780 /nfs/dbraw/zinc/96/57/80/414965780.db2.gz XVAYYSNLHMGVRF-JHJVBQTASA-N 1 0 329.397 -1.318 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652730004 414966198 /nfs/dbraw/zinc/96/61/98/414966198.db2.gz DQAKRTLUKGMIFA-HFAKWTLXSA-N 1 0 326.397 -1.468 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652730005 414966930 /nfs/dbraw/zinc/96/69/30/414966930.db2.gz DQAKRTLUKGMIFA-UEKVPHQBSA-N 1 0 326.397 -1.468 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N(CC)Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000652730077 414968312 /nfs/dbraw/zinc/96/83/12/414968312.db2.gz HNCJOVJNONLBKO-DGCLKSJQSA-N 1 0 338.412 -1.014 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)C[C@H]1C[NH3+] ZINC000652730142 414969906 /nfs/dbraw/zinc/96/99/06/414969906.db2.gz JEPULFMMKVIFKP-JHJVBQTASA-N 1 0 340.424 -1.077 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)C[C@H]1C[NH3+] ZINC000652730144 414970799 /nfs/dbraw/zinc/97/07/99/414970799.db2.gz JEPULFMMKVIFKP-YNEHKIRRSA-N 1 0 340.424 -1.077 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)NC)C2)C[C@H]1C[NH3+] ZINC000652730195 414970779 /nfs/dbraw/zinc/97/07/79/414970779.db2.gz LUXZDFXKMXKHFA-HSMVNMDESA-N 1 0 340.424 -1.207 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)NC)C2)C[C@H]1C[NH3+] ZINC000652730196 414968740 /nfs/dbraw/zinc/96/87/40/414968740.db2.gz LUXZDFXKMXKHFA-XHBSWPGZSA-N 1 0 340.424 -1.207 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H](C)O)C[C@H]1C[NH3+] ZINC000652730481 414969883 /nfs/dbraw/zinc/96/98/83/414969883.db2.gz CILDAMLWHOIMPD-AAVRWANBSA-N 1 0 343.424 -1.193 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2C[C@H](C)O)C[C@H]1C[NH3+] ZINC000652730482 414970673 /nfs/dbraw/zinc/97/06/73/414970673.db2.gz CILDAMLWHOIMPD-REWJHTLYSA-N 1 0 343.424 -1.193 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2C[C@H](C)O)C[C@H]1C[NH3+] ZINC000652730483 414969861 /nfs/dbraw/zinc/96/98/61/414969861.db2.gz CILDAMLWHOIMPD-RFQIPJPRSA-N 1 0 343.424 -1.193 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H](C)O)C[C@H]1C[NH3+] ZINC000652730484 414968079 /nfs/dbraw/zinc/96/80/79/414968079.db2.gz CILDAMLWHOIMPD-YIYPIFLZSA-N 1 0 343.424 -1.193 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)C[C@H]1C[NH3+] ZINC000652730538 414970669 /nfs/dbraw/zinc/97/06/69/414970669.db2.gz FUHOOJIFGLTVGG-FDYHWXHSSA-N 1 0 329.397 -1.583 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@H](CO)C2)C[C@H]1C[NH3+] ZINC000652730539 414969610 /nfs/dbraw/zinc/96/96/10/414969610.db2.gz FUHOOJIFGLTVGG-FVCCEPFGSA-N 1 0 329.397 -1.583 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)C[C@H]1C[NH3+] ZINC000652730540 414968205 /nfs/dbraw/zinc/96/82/05/414968205.db2.gz FUHOOJIFGLTVGG-QNWHQSFQSA-N 1 0 329.397 -1.583 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730541 414970665 /nfs/dbraw/zinc/97/06/65/414970665.db2.gz FUHOOJIFGLTVGG-UMSGYPCISA-N 1 0 329.397 -1.583 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)CCNC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652730551 414968841 /nfs/dbraw/zinc/96/88/41/414968841.db2.gz GHTGCHJWWCSKOV-VXGBXAGGSA-N 1 0 343.428 -1.462 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCCN(CC)C(=O)C2)C[C@H]1C[NH3+] ZINC000652730649 414969996 /nfs/dbraw/zinc/96/99/96/414969996.db2.gz KIJQEPCJAHECPR-CHWSQXEVSA-N 1 0 340.424 -1.111 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N(CC)CCOCCO)C[C@H]1C[NH3+] ZINC000652730660 414967928 /nfs/dbraw/zinc/96/79/28/414967928.db2.gz KTZHTMOCKOXMKG-CHWSQXEVSA-N 1 0 331.413 -1.334 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)C[C@H]1C[NH3+] ZINC000652730794 414970044 /nfs/dbraw/zinc/97/00/44/414970044.db2.gz PRMHDXUJJVYERG-IJLUTSLNSA-N 1 0 342.396 -2.218 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)C[C@H]1C[NH3+] ZINC000652730795 414969854 /nfs/dbraw/zinc/96/98/54/414969854.db2.gz PRMHDXUJJVYERG-UTUOFQBUSA-N 1 0 342.396 -2.218 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@](CO)(COC)C2)C[C@H]1C[NH3+] ZINC000652731150 414972596 /nfs/dbraw/zinc/97/25/96/414972596.db2.gz CEWUHYZOBKZMPQ-IOASZLSFSA-N 1 0 343.424 -1.334 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@](CO)(COC)C2)C[C@H]1C[NH3+] ZINC000652731151 414972763 /nfs/dbraw/zinc/97/27/63/414972763.db2.gz CEWUHYZOBKZMPQ-XJKCOSOUSA-N 1 0 343.424 -1.334 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000652731226 414972995 /nfs/dbraw/zinc/97/29/95/414972995.db2.gz DRXXFMMPTQAQGV-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)O)C2)C[C@H]1C[NH3+] ZINC000652731268 414972510 /nfs/dbraw/zinc/97/25/10/414972510.db2.gz GHOGNPAEGJLPRF-FDYHWXHSSA-N 1 0 329.397 -1.583 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)O)C2)C[C@H]1C[NH3+] ZINC000652731269 414971302 /nfs/dbraw/zinc/97/13/02/414971302.db2.gz GHOGNPAEGJLPRF-FVCCEPFGSA-N 1 0 329.397 -1.583 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@H](C)O)C2)C[C@H]1C[NH3+] ZINC000652731270 414973214 /nfs/dbraw/zinc/97/32/14/414973214.db2.gz GHOGNPAEGJLPRF-QNWHQSFQSA-N 1 0 329.397 -1.583 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)O)C2)C[C@H]1C[NH3+] ZINC000652731271 414972350 /nfs/dbraw/zinc/97/23/50/414972350.db2.gz GHOGNPAEGJLPRF-UMSGYPCISA-N 1 0 329.397 -1.583 20 0 EAADRO C[C@@H](CO)C1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000652731294 414971213 /nfs/dbraw/zinc/97/12/13/414971213.db2.gz GSXAGYZMNUKERC-GXTWGEPZSA-N 1 0 326.441 -1.045 20 0 EAADRO C[C@@H](CO)C1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000652731295 414972390 /nfs/dbraw/zinc/97/23/90/414972390.db2.gz GSXAGYZMNUKERC-JSGCOSHPSA-N 1 0 326.441 -1.045 20 0 EAADRO C[C@H](CO)C1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000652731296 414971994 /nfs/dbraw/zinc/97/19/94/414971994.db2.gz GSXAGYZMNUKERC-OCCSQVGLSA-N 1 0 326.441 -1.045 20 0 EAADRO C[C@H](CO)C1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000652731297 414974023 /nfs/dbraw/zinc/97/40/23/414974023.db2.gz GSXAGYZMNUKERC-TZMCWYRMSA-N 1 0 326.441 -1.045 20 0 EAADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000652731408 414973136 /nfs/dbraw/zinc/97/31/36/414973136.db2.gz JMWSKMBYEBEKKP-CYBMUJFWSA-N 1 0 328.413 -1.647 20 0 EAADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000652731409 414972651 /nfs/dbraw/zinc/97/26/51/414972651.db2.gz JMWSKMBYEBEKKP-ZDUSSCGKSA-N 1 0 328.413 -1.647 20 0 EAADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000652731473 545676571 /nfs/dbraw/zinc/67/65/71/545676571.db2.gz LNRNJHRLXWQQCB-AWEZNQCLSA-N 1 0 342.440 -1.257 20 0 EAADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000652731515 545677307 /nfs/dbraw/zinc/67/73/07/545677307.db2.gz MKLLCUNLEAEOIL-AWEZNQCLSA-N 1 0 342.440 -1.399 20 0 EAADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000652731516 545676533 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414982870 /nfs/dbraw/zinc/98/28/70/414982870.db2.gz VBYHIHUAOVWPQU-DGCLKSJQSA-N 1 0 337.380 -1.494 20 0 EAADRO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000652737797 414983996 /nfs/dbraw/zinc/98/39/96/414983996.db2.gz VBYHIHUAOVWPQU-WCQYABFASA-N 1 0 337.380 -1.494 20 0 EAADRO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000652737798 414985408 /nfs/dbraw/zinc/98/54/08/414985408.db2.gz VBYHIHUAOVWPQU-YPMHNXCESA-N 1 0 337.380 -1.494 20 0 EAADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000652766864 415022246 /nfs/dbraw/zinc/02/22/46/415022246.db2.gz JNQRPSQPIPNWGP-NEPJUHHUSA-N 1 0 346.453 -1.453 20 0 EAADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000652766865 415022230 /nfs/dbraw/zinc/02/22/30/415022230.db2.gz JNQRPSQPIPNWGP-NWDGAFQWSA-N 1 0 346.453 -1.453 20 0 EAADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000652766866 415022525 /nfs/dbraw/zinc/02/25/25/415022525.db2.gz JNQRPSQPIPNWGP-RYUDHWBXSA-N 1 0 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CC(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656073137 545704414 /nfs/dbraw/zinc/70/44/14/545704414.db2.gz FODMZBISIYPHJX-KWCYVHTRSA-N 1 0 338.408 -1.657 20 0 EAADRO Cc1nc2n(n1)CCN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000656073853 545705025 /nfs/dbraw/zinc/70/50/25/545705025.db2.gz HRQCWKIPWGTCQR-NWDGAFQWSA-N 1 0 334.380 -1.794 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C2CC2)C(=O)C1 ZINC000656074744 545705259 /nfs/dbraw/zinc/70/52/59/545705259.db2.gz WKDNZUXGKXOKAP-QWHCGFSZSA-N 1 0 336.392 -1.903 20 0 EAADRO CC(C)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000656074786 545704963 /nfs/dbraw/zinc/70/49/63/545704963.db2.gz XFQJPFDYIMGGLW-QWHCGFSZSA-N 1 0 338.408 -1.657 20 0 EAADRO O=C(C(=O)N1CCO[C@]2(CCOC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076359 545704986 /nfs/dbraw/zinc/70/49/86/545704986.db2.gz CXWRYLWLIFFWLH-WOSRLPQWSA-N 1 0 339.392 -1.718 20 0 EAADRO O=C(C(=O)N1CCO[C@@]2(CCOC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076360 545705147 /nfs/dbraw/zinc/70/51/47/545705147.db2.gz CXWRYLWLIFFWLH-ZENOOKHLSA-N 1 0 339.392 -1.718 20 0 EAADRO COC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656077516 545704849 /nfs/dbraw/zinc/70/48/49/545704849.db2.gz RWCFRWSCLDPYOS-XQQFMLRXSA-N 1 0 327.381 -1.862 20 0 EAADRO COC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656077517 545705225 /nfs/dbraw/zinc/70/52/25/545705225.db2.gz RWCFRWSCLDPYOS-YNEHKIRRSA-N 1 0 327.381 -1.862 20 0 EAADRO Cc1cn2c(n1)CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CC2 ZINC000656078446 545705607 /nfs/dbraw/zinc/70/56/07/545705607.db2.gz CUVOJAFIARZDSA-QWHCGFSZSA-N 1 0 333.392 -1.189 20 0 EAADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656079042 545705587 /nfs/dbraw/zinc/70/55/87/545705587.db2.gz IWRBNVLZBUZAFS-AEJSXWLSSA-N 1 0 339.314 -1.355 20 0 EAADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656079043 545704687 /nfs/dbraw/zinc/70/46/87/545704687.db2.gz IWRBNVLZBUZAFS-IVZWLZJFSA-N 1 0 339.314 -1.355 20 0 EAADRO COCCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCOC1 ZINC000656079056 545705679 /nfs/dbraw/zinc/70/56/79/545705679.db2.gz JGRLJCKZVGXSHZ-HZSPNIEDSA-N 1 0 341.408 -1.472 20 0 EAADRO COCCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCOC1 ZINC000656079057 545705184 /nfs/dbraw/zinc/70/51/84/545705184.db2.gz JGRLJCKZVGXSHZ-MELADBBJSA-N 1 0 341.408 -1.472 20 0 EAADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079078 545704439 /nfs/dbraw/zinc/70/44/39/545704439.db2.gz KFHCAKYDCVBGGT-HWWQOWPSSA-N 1 0 338.408 -1.752 20 0 EAADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079079 545704866 /nfs/dbraw/zinc/70/48/66/545704866.db2.gz KFHCAKYDCVBGGT-OZVIIMIRSA-N 1 0 338.408 -1.752 20 0 EAADRO COC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656079343 545704944 /nfs/dbraw/zinc/70/49/44/545704944.db2.gz NDASLIIYDFJZGV-FQUUOJAGSA-N 1 0 341.408 -1.474 20 0 EAADRO COC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656079345 545705736 /nfs/dbraw/zinc/70/57/36/545705736.db2.gz NDASLIIYDFJZGV-IGQOVBAYSA-N 1 0 341.408 -1.474 20 0 EAADRO COC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000656079347 545704734 /nfs/dbraw/zinc/70/47/34/545704734.db2.gz NDASLIIYDFJZGV-RQJABVFESA-N 1 0 341.408 -1.474 20 0 EAADRO COC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000656079349 545704704 /nfs/dbraw/zinc/70/47/04/545704704.db2.gz NDASLIIYDFJZGV-XJFOESAGSA-N 1 0 341.408 -1.474 20 0 EAADRO COCCCOCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656080210 415298768 /nfs/dbraw/zinc/29/87/68/415298768.db2.gz YCXJCSQDFPCCIU-UONOGXRCSA-N 1 0 343.424 -1.225 20 0 EAADRO C[C@@H](O)CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H](C)CO ZINC000656080233 415297916 /nfs/dbraw/zinc/29/79/16/415297916.db2.gz YRRLUILHRBOZEU-FVCCEPFGSA-N 1 0 329.397 -2.146 20 0 EAADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656080234 415296729 /nfs/dbraw/zinc/29/67/29/415296729.db2.gz YRRLUILHRBOZEU-MROQNXINSA-N 1 0 329.397 -2.146 20 0 EAADRO C[C@@H](O)CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H](C)CO ZINC000656080235 415296869 /nfs/dbraw/zinc/29/68/69/415296869.db2.gz YRRLUILHRBOZEU-QNWHQSFQSA-N 1 0 329.397 -2.146 20 0 EAADRO C[C@H](O)CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H](C)CO ZINC000656080236 415298791 /nfs/dbraw/zinc/29/87/91/415298791.db2.gz YRRLUILHRBOZEU-ZDEQEGDKSA-N 1 0 329.397 -2.146 20 0 EAADRO CCN(CCOCCO)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656080904 545705167 /nfs/dbraw/zinc/70/51/67/545705167.db2.gz KLWCLIXROVUOLW-QWHCGFSZSA-N 1 0 329.397 -1.879 20 0 EAADRO CCOCCOCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081408 545705547 /nfs/dbraw/zinc/70/55/47/545705547.db2.gz UMZSCKBBINRMIR-UONOGXRCSA-N 1 0 343.424 -1.225 20 0 EAADRO COCCCN(CCO)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081488 545705644 /nfs/dbraw/zinc/70/56/44/545705644.db2.gz VFBUCWUKWKJMLT-QWHCGFSZSA-N 1 0 329.397 -1.879 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656081757 545704558 /nfs/dbraw/zinc/70/45/58/545704558.db2.gz JJTHJNWOPDKHPI-QJPTWQEYSA-N 1 0 340.380 -2.763 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656081758 545704329 /nfs/dbraw/zinc/70/43/29/545704329.db2.gz JJTHJNWOPDKHPI-TUAOUCFPSA-N 1 0 340.380 -2.763 20 0 EAADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081861 545705197 /nfs/dbraw/zinc/70/51/97/545705197.db2.gz AESCOHZMCIYXTA-NWDGAFQWSA-N 1 0 341.412 -2.007 20 0 EAADRO CCN1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000656082188 545705527 /nfs/dbraw/zinc/70/55/27/545705527.db2.gz DODHIDKBZGPIHO-QWHCGFSZSA-N 1 0 338.408 -1.655 20 0 EAADRO O=C(C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656083219 415297938 /nfs/dbraw/zinc/29/79/38/415297938.db2.gz CXYLRHOSMBKJEX-UMSGYPCISA-N 1 0 336.392 -1.999 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H](CCCO)C1 ZINC000656083917 415296084 /nfs/dbraw/zinc/29/60/84/415296084.db2.gz PJDZHAQGHWVURR-HZSPNIEDSA-N 1 0 325.409 -1.115 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H](CCCO)C1 ZINC000656083919 415295960 /nfs/dbraw/zinc/29/59/60/415295960.db2.gz PJDZHAQGHWVURR-MELADBBJSA-N 1 0 325.409 -1.115 20 0 EAADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084144 415297666 /nfs/dbraw/zinc/29/76/66/415297666.db2.gz VNHLJLHAHKLHRF-FQUUOJAGSA-N 1 0 325.409 -1.117 20 0 EAADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084145 415298954 /nfs/dbraw/zinc/29/89/54/415298954.db2.gz VNHLJLHAHKLHRF-IGQOVBAYSA-N 1 0 325.409 -1.117 20 0 EAADRO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084146 415296705 /nfs/dbraw/zinc/29/67/05/415296705.db2.gz VNHLJLHAHKLHRF-RQJABVFESA-N 1 0 325.409 -1.117 20 0 EAADRO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084147 415298936 /nfs/dbraw/zinc/29/89/36/415298936.db2.gz VNHLJLHAHKLHRF-XJFOESAGSA-N 1 0 325.409 -1.117 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](CO)O1 ZINC000656084164 415297139 /nfs/dbraw/zinc/29/71/39/415297139.db2.gz VYIIUTWQWSXOPX-RVMXOQNASA-N 1 0 327.381 -2.128 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](CO)O1 ZINC000656084165 415298184 /nfs/dbraw/zinc/29/81/84/415298184.db2.gz VYIIUTWQWSXOPX-WUHRBBMRSA-N 1 0 327.381 -2.128 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](CO)O1 ZINC000656084166 415298750 /nfs/dbraw/zinc/29/87/50/415298750.db2.gz VYIIUTWQWSXOPX-XQHKEYJVSA-N 1 0 327.381 -2.128 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](CO)O1 ZINC000656084167 415297317 /nfs/dbraw/zinc/29/73/17/415297317.db2.gz VYIIUTWQWSXOPX-YVECIDJPSA-N 1 0 327.381 -2.128 20 0 EAADRO O=C(C(=O)N1CCSC[C@H]1CCO)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084250 415298718 /nfs/dbraw/zinc/29/87/18/415298718.db2.gz WVOJCVVNIPAGTK-FRRDWIJNSA-N 1 0 343.449 -1.410 20 0 EAADRO O=C(C(=O)N1CCSC[C@@H]1CCO)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084251 415297495 /nfs/dbraw/zinc/29/74/95/415297495.db2.gz WVOJCVVNIPAGTK-RWMBFGLXSA-N 1 0 343.449 -1.410 20 0 EAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084755 415298064 /nfs/dbraw/zinc/29/80/64/415298064.db2.gz MRZZQDBWHPDOGO-IGQOVBAYSA-N 1 0 341.408 -1.738 20 0 EAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084756 415296920 /nfs/dbraw/zinc/29/69/20/415296920.db2.gz MRZZQDBWHPDOGO-XDQVBPFNSA-N 1 0 341.408 -1.738 20 0 EAADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084757 415298805 /nfs/dbraw/zinc/29/88/05/415298805.db2.gz MRZZQDBWHPDOGO-XJFOESAGSA-N 1 0 341.408 -1.738 20 0 EAADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084758 415296585 /nfs/dbraw/zinc/29/65/85/415296585.db2.gz MRZZQDBWHPDOGO-ZOBORPQBSA-N 1 0 341.408 -1.738 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCc2cc[nH]c(=O)c2C1 ZINC000656084835 415299060 /nfs/dbraw/zinc/29/90/60/415299060.db2.gz PBSHGHGSGNOGKY-QWHCGFSZSA-N 1 0 346.387 -1.051 20 0 EAADRO CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](CO)O1 ZINC000656085322 415297211 /nfs/dbraw/zinc/29/72/11/415297211.db2.gz ACDLHBXOXZVKHR-XQQFMLRXSA-N 1 0 341.408 -1.738 20 0 EAADRO CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](CO)O1 ZINC000656085323 415299020 /nfs/dbraw/zinc/29/90/20/415299020.db2.gz ACDLHBXOXZVKHR-YNEHKIRRSA-N 1 0 341.408 -1.738 20 0 EAADRO C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656085483 415298237 /nfs/dbraw/zinc/29/82/37/415298237.db2.gz FQWBMYGBEGCFTF-RVMXOQNASA-N 1 0 327.381 -2.128 20 0 EAADRO C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656085484 415297779 /nfs/dbraw/zinc/29/77/79/415297779.db2.gz FQWBMYGBEGCFTF-WUHRBBMRSA-N 1 0 327.381 -2.128 20 0 EAADRO C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656085485 415298881 /nfs/dbraw/zinc/29/88/81/415298881.db2.gz FQWBMYGBEGCFTF-XQHKEYJVSA-N 1 0 327.381 -2.128 20 0 EAADRO C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656085486 415298390 /nfs/dbraw/zinc/29/83/90/415298390.db2.gz FQWBMYGBEGCFTF-YVECIDJPSA-N 1 0 327.381 -2.128 20 0 EAADRO O=C(C(=O)N1CCC[C@@H](n2ccnn2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085942 415297702 /nfs/dbraw/zinc/29/77/02/415297702.db2.gz OLIFBFFUCXGERF-HZSPNIEDSA-N 1 0 348.407 -1.281 20 0 EAADRO O=C(C(=O)N1CCC[C@H](n2ccnn2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085943 415298039 /nfs/dbraw/zinc/29/80/39/415298039.db2.gz OLIFBFFUCXGERF-MELADBBJSA-N 1 0 348.407 -1.281 20 0 EAADRO C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085961 415298284 /nfs/dbraw/zinc/29/82/84/415298284.db2.gz PAGDOLDXNNNSHR-RFQIPJPRSA-N 1 0 325.409 -1.117 20 0 EAADRO C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085962 415296016 /nfs/dbraw/zinc/29/60/16/415296016.db2.gz PAGDOLDXNNNSHR-XDQVBPFNSA-N 1 0 325.409 -1.117 20 0 EAADRO C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085963 415298261 /nfs/dbraw/zinc/29/82/61/415298261.db2.gz PAGDOLDXNNNSHR-YIYPIFLZSA-N 1 0 325.409 -1.117 20 0 EAADRO C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085964 415296190 /nfs/dbraw/zinc/29/61/90/415296190.db2.gz PAGDOLDXNNNSHR-ZOBORPQBSA-N 1 0 325.409 -1.117 20 0 EAADRO C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656086408 415298581 /nfs/dbraw/zinc/29/85/81/415298581.db2.gz XUIBYWJLGQHHQN-RFQIPJPRSA-N 1 0 325.409 -1.259 20 0 EAADRO C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656086409 415298087 /nfs/dbraw/zinc/29/80/87/415298087.db2.gz XUIBYWJLGQHHQN-XDQVBPFNSA-N 1 0 325.409 -1.259 20 0 EAADRO C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656086410 415296326 /nfs/dbraw/zinc/29/63/26/415296326.db2.gz XUIBYWJLGQHHQN-YIYPIFLZSA-N 1 0 325.409 -1.259 20 0 EAADRO C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656086411 415297823 /nfs/dbraw/zinc/29/78/23/415297823.db2.gz XUIBYWJLGQHHQN-ZOBORPQBSA-N 1 0 325.409 -1.259 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000656086801 415297164 /nfs/dbraw/zinc/29/71/64/415297164.db2.gz KFYHQVCEZZASPD-OLZOCXBDSA-N 1 0 347.423 -1.374 20 0 EAADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656087545 415297456 /nfs/dbraw/zinc/29/74/56/415297456.db2.gz FBRPCFGSTQFCLK-MELADBBJSA-N 1 0 340.424 -2.211 20 0 EAADRO COCC1(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000656087694 415296947 /nfs/dbraw/zinc/29/69/47/415296947.db2.gz XKGPKXXOFYTACK-UHFFFAOYSA-N 1 0 340.424 -1.238 20 0 EAADRO CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1O ZINC000656088454 415298734 /nfs/dbraw/zinc/29/87/34/415298734.db2.gz KSYRBGNTGJPDMD-XQQFMLRXSA-N 1 0 325.409 -1.117 20 0 EAADRO CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1O ZINC000656088455 415299111 /nfs/dbraw/zinc/29/91/11/415299111.db2.gz KSYRBGNTGJPDMD-YNEHKIRRSA-N 1 0 325.409 -1.117 20 0 EAADRO COCCOCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656088481 415297280 /nfs/dbraw/zinc/29/72/80/415297280.db2.gz LVBBWWJDCGSGOO-QWHCGFSZSA-N 1 0 329.397 -1.615 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CCO)CC1 ZINC000656088627 415297241 /nfs/dbraw/zinc/29/72/41/415297241.db2.gz MUWKOIRWRPJFEG-UONOGXRCSA-N 1 0 325.409 -1.115 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H](n2cccn2)C1 ZINC000656088917 415297618 /nfs/dbraw/zinc/29/76/18/415297618.db2.gz OUFVTQRTMSQSNM-HZSPNIEDSA-N 1 0 333.392 -1.066 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H](n2cccn2)C1 ZINC000656088919 415298535 /nfs/dbraw/zinc/29/85/35/415298535.db2.gz OUFVTQRTMSQSNM-MELADBBJSA-N 1 0 333.392 -1.066 20 0 EAADRO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656089455 415297431 /nfs/dbraw/zinc/29/74/31/415297431.db2.gz RMVCOQLCMKMZJT-NWDGAFQWSA-N 1 0 340.424 -1.363 20 0 EAADRO C[C@@H](O)CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC1 ZINC000656094767 415297091 /nfs/dbraw/zinc/29/70/91/415297091.db2.gz XBPKFVNYCFJNHY-GFCCVEGCSA-N 1 0 340.424 -1.409 20 0 EAADRO C[C@H](O)CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC1 ZINC000656094769 415297758 /nfs/dbraw/zinc/29/77/58/415297758.db2.gz XBPKFVNYCFJNHY-LBPRGKRZSA-N 1 0 340.424 -1.409 20 0 EAADRO COC1(CO)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000656102037 415296768 /nfs/dbraw/zinc/29/67/68/415296768.db2.gz BQBKRMVVYOSRQS-GFCCVEGCSA-N 1 0 328.413 -1.912 20 0 EAADRO COC1(CO)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000656102038 415296286 /nfs/dbraw/zinc/29/62/86/415296286.db2.gz BQBKRMVVYOSRQS-LBPRGKRZSA-N 1 0 328.413 -1.912 20 0 EAADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656102053 415298598 /nfs/dbraw/zinc/29/85/98/415298598.db2.gz BYPJFILNRYGQTE-UHFFFAOYSA-N 1 0 337.428 -1.093 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)[C@@H](C)C[NH2+]1 ZINC000656102902 415297004 /nfs/dbraw/zinc/29/70/04/415297004.db2.gz PZSWASIDOXVVOY-NEPJUHHUSA-N 1 0 335.412 -1.328 20 0 EAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656102903 415298373 /nfs/dbraw/zinc/29/83/73/415298373.db2.gz PZSWASIDOXVVOY-NWDGAFQWSA-N 1 0 335.412 -1.328 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)[C@@H](C)C[NH2+]1 ZINC000656102904 415298901 /nfs/dbraw/zinc/29/89/01/415298901.db2.gz PZSWASIDOXVVOY-RYUDHWBXSA-N 1 0 335.412 -1.328 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)[C@H](C)C[NH2+]1 ZINC000656102905 415296306 /nfs/dbraw/zinc/29/63/06/415296306.db2.gz PZSWASIDOXVVOY-VXGBXAGGSA-N 1 0 335.412 -1.328 20 0 EAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656103020 415296480 /nfs/dbraw/zinc/29/64/80/415296480.db2.gz SRAKOGIBNJJNCS-GFCCVEGCSA-N 1 0 335.412 -1.326 20 0 EAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656103021 415298911 /nfs/dbraw/zinc/29/89/11/415298911.db2.gz SRAKOGIBNJJNCS-LBPRGKRZSA-N 1 0 335.412 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000656103622 415296683 /nfs/dbraw/zinc/29/66/83/415296683.db2.gz AUKQTSQZUPPFMA-OLZOCXBDSA-N 1 0 347.423 -1.183 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H](C)[NH2+]1 ZINC000656103915 415299074 /nfs/dbraw/zinc/29/90/74/415299074.db2.gz CTJRZSWKODEWEA-RYUDHWBXSA-N 1 0 335.412 -1.328 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H](C)[NH2+]1 ZINC000656103916 415296624 /nfs/dbraw/zinc/29/66/24/415296624.db2.gz CTJRZSWKODEWEA-TXEJJXNPSA-N 1 0 335.412 -1.328 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@H](C)[NH2+]1 ZINC000656103918 415297599 /nfs/dbraw/zinc/29/75/99/415297599.db2.gz CTJRZSWKODEWEA-VXGBXAGGSA-N 1 0 335.412 -1.328 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H]1C[NH3+] ZINC000656104015 415296662 /nfs/dbraw/zinc/29/66/62/415296662.db2.gz FULHDMYIIWUTNJ-CHWSQXEVSA-N 1 0 349.439 -1.093 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@H]1C[NH3+] ZINC000656104016 415297534 /nfs/dbraw/zinc/29/75/34/415297534.db2.gz FULHDMYIIWUTNJ-OLZOCXBDSA-N 1 0 349.439 -1.093 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H]1C[NH3+] ZINC000656104017 415298700 /nfs/dbraw/zinc/29/87/00/415298700.db2.gz FULHDMYIIWUTNJ-QWHCGFSZSA-N 1 0 349.439 -1.093 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@H]1C[NH3+] ZINC000656104018 415299123 /nfs/dbraw/zinc/29/91/23/415299123.db2.gz FULHDMYIIWUTNJ-STQMWFEESA-N 1 0 349.439 -1.093 20 0 EAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656104135 415298896 /nfs/dbraw/zinc/29/88/96/415298896.db2.gz IIYHNMWBKOKGOC-GFCCVEGCSA-N 1 0 335.412 -1.326 20 0 EAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656104136 415296692 /nfs/dbraw/zinc/29/66/92/415296692.db2.gz IIYHNMWBKOKGOC-LBPRGKRZSA-N 1 0 335.412 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000656104155 415299091 /nfs/dbraw/zinc/29/90/91/415299091.db2.gz IRFWBAUVUXDSJF-BETUJISGSA-N 1 0 347.423 -1.183 20 0 EAADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC1 ZINC000656104184 415297656 /nfs/dbraw/zinc/29/76/56/415297656.db2.gz JOQJFVVXPSCVLR-UHFFFAOYSA-N 1 0 349.439 -1.078 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000656104242 415298480 /nfs/dbraw/zinc/29/84/80/415298480.db2.gz LODRAXPMJKMTPO-CHWSQXEVSA-N 1 0 347.423 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000656104243 415296499 /nfs/dbraw/zinc/29/64/99/415296499.db2.gz LODRAXPMJKMTPO-OLZOCXBDSA-N 1 0 347.423 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000656104244 415297902 /nfs/dbraw/zinc/29/79/02/415297902.db2.gz LODRAXPMJKMTPO-QWHCGFSZSA-N 1 0 347.423 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000656104245 415298176 /nfs/dbraw/zinc/29/81/76/415298176.db2.gz LODRAXPMJKMTPO-STQMWFEESA-N 1 0 347.423 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000656104492 415297519 /nfs/dbraw/zinc/29/75/19/415297519.db2.gz PCWSBELPMLDIJD-INIZCTEOSA-N 1 0 347.423 -1.324 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000656104493 415298005 /nfs/dbraw/zinc/29/80/05/415298005.db2.gz PCWSBELPMLDIJD-MRXNPFEDSA-N 1 0 347.423 -1.324 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC(CO)(OC)CC2)C[C@H]1C[NH3+] ZINC000656104566 415297690 /nfs/dbraw/zinc/29/76/90/415297690.db2.gz QPPBNVAZEGARNA-CHWSQXEVSA-N 1 0 343.424 -1.192 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000656104569 415304177 /nfs/dbraw/zinc/30/41/77/415304177.db2.gz QZLRIFQLJSDUJL-CHWSQXEVSA-N 1 0 347.423 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000656104570 415302732 /nfs/dbraw/zinc/30/27/32/415302732.db2.gz QZLRIFQLJSDUJL-OLZOCXBDSA-N 1 0 347.423 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000656104571 415303054 /nfs/dbraw/zinc/30/30/54/415303054.db2.gz QZLRIFQLJSDUJL-QWHCGFSZSA-N 1 0 347.423 -1.326 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000656104572 415301513 /nfs/dbraw/zinc/30/15/13/415301513.db2.gz QZLRIFQLJSDUJL-STQMWFEESA-N 1 0 347.423 -1.326 20 0 EAADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656104636 415300108 /nfs/dbraw/zinc/30/01/08/415300108.db2.gz SSTFNOPRZJHUAQ-CYBMUJFWSA-N 1 0 349.439 -1.078 20 0 EAADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656104637 415300541 /nfs/dbraw/zinc/30/05/41/415300541.db2.gz SSTFNOPRZJHUAQ-ZDUSSCGKSA-N 1 0 349.439 -1.078 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656104885 415300842 /nfs/dbraw/zinc/30/08/42/415300842.db2.gz WFHNXIOEOUULNZ-TXEJJXNPSA-N 1 0 333.396 -1.859 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@]1(C)C[NH3+] ZINC000656104910 415303309 /nfs/dbraw/zinc/30/33/09/415303309.db2.gz WGHJKTJIRKGUAR-MLGOLLRUSA-N 1 0 349.439 -1.093 20 0 EAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC[NH2+]1 ZINC000656105166 415296156 /nfs/dbraw/zinc/29/61/56/415296156.db2.gz YQNUNSMNCHGFKD-CYBMUJFWSA-N 1 0 349.439 -1.080 20 0 EAADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000656125565 415304082 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/nfs/dbraw/zinc/31/97/72/415319772.db2.gz VFCUYBRIMXOBPJ-GHMZBOCLSA-N 1 0 334.442 -1.278 20 0 EAADRO CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H]1CC[N@H+](CC)C1 ZINC000658469096 415318252 /nfs/dbraw/zinc/31/82/52/415318252.db2.gz VFCUYBRIMXOBPJ-MNOVXSKESA-N 1 0 334.442 -1.278 20 0 EAADRO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H]1CC[N@H+](CC)C1 ZINC000658469097 415318281 /nfs/dbraw/zinc/31/82/81/415318281.db2.gz VFCUYBRIMXOBPJ-QWRGUYRKSA-N 1 0 334.442 -1.278 20 0 EAADRO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H]1CC[N@H+](CC)C1 ZINC000658469098 415317823 /nfs/dbraw/zinc/31/78/23/415317823.db2.gz VFCUYBRIMXOBPJ-WDEREUQCSA-N 1 0 334.442 -1.278 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000658478393 415318877 /nfs/dbraw/zinc/31/88/77/415318877.db2.gz WPVFDXQOZBWSSZ-LLVKDONJSA-N 1 0 325.413 -1.087 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000658478396 415233356 /nfs/dbraw/zinc/23/33/56/415233356.db2.gz WPVFDXQOZBWSSZ-NSHDSACASA-N 1 0 325.413 -1.087 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000658523079 415245524 /nfs/dbraw/zinc/24/55/24/415245524.db2.gz FASCCFJQEYQUJF-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000658523080 415243559 /nfs/dbraw/zinc/24/35/59/415243559.db2.gz FASCCFJQEYQUJF-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000658523081 415242028 /nfs/dbraw/zinc/24/20/28/415242028.db2.gz FASCCFJQEYQUJF-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000658523082 415244663 /nfs/dbraw/zinc/24/46/63/415244663.db2.gz FASCCFJQEYQUJF-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658523533 415318992 /nfs/dbraw/zinc/31/89/92/415318992.db2.gz WUEOAJVZQRMROK-AAEUAGOBSA-N 1 0 338.408 -1.609 20 0 EAADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658523534 415320055 /nfs/dbraw/zinc/32/00/55/415320055.db2.gz WUEOAJVZQRMROK-DGCLKSJQSA-N 1 0 338.408 -1.609 20 0 EAADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658523536 415319303 /nfs/dbraw/zinc/31/93/03/415319303.db2.gz WUEOAJVZQRMROK-WCQYABFASA-N 1 0 338.408 -1.609 20 0 EAADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658523538 415318448 /nfs/dbraw/zinc/31/84/48/415318448.db2.gz WUEOAJVZQRMROK-YPMHNXCESA-N 1 0 338.408 -1.609 20 0 EAADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658523593 415317975 /nfs/dbraw/zinc/31/79/75/415317975.db2.gz XKNMLFDGAGAJDS-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658523594 415320310 /nfs/dbraw/zinc/32/03/10/415320310.db2.gz XKNMLFDGAGAJDS-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658523596 415241081 /nfs/dbraw/zinc/24/10/81/415241081.db2.gz XKNMLFDGAGAJDS-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658523603 415242934 /nfs/dbraw/zinc/24/29/34/415242934.db2.gz XKNMLFDGAGAJDS-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000658529738 415247974 /nfs/dbraw/zinc/24/79/74/415247974.db2.gz KQWJFBSPDOCVJF-UHFFFAOYSA-N 1 0 326.441 -1.079 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658542086 415248229 /nfs/dbraw/zinc/24/82/29/415248229.db2.gz PYLKMUWGFNSQPW-CYBMUJFWSA-N 1 0 331.413 -1.103 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658542087 415248948 /nfs/dbraw/zinc/24/89/48/415248948.db2.gz PYLKMUWGFNSQPW-ZDUSSCGKSA-N 1 0 331.413 -1.103 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000658571817 415321291 /nfs/dbraw/zinc/32/12/91/415321291.db2.gz XLXVIUOTVMHLNS-GHMZBOCLSA-N 1 0 346.453 -1.135 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000658571818 415320894 /nfs/dbraw/zinc/32/08/94/415320894.db2.gz XLXVIUOTVMHLNS-MNOVXSKESA-N 1 0 346.453 -1.135 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000658571819 415322951 /nfs/dbraw/zinc/32/29/51/415322951.db2.gz XLXVIUOTVMHLNS-QWRGUYRKSA-N 1 0 346.453 -1.135 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000658571820 415321608 /nfs/dbraw/zinc/32/16/08/415321608.db2.gz XLXVIUOTVMHLNS-WDEREUQCSA-N 1 0 346.453 -1.135 20 0 EAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC000658583704 415322975 /nfs/dbraw/zinc/32/29/75/415322975.db2.gz JZEBWRNESYEYCX-CYBMUJFWSA-N 1 0 326.397 -1.630 20 0 EAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC000658583705 415322749 /nfs/dbraw/zinc/32/27/49/415322749.db2.gz JZEBWRNESYEYCX-ZDUSSCGKSA-N 1 0 326.397 -1.630 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000658599958 415322424 /nfs/dbraw/zinc/32/24/24/415322424.db2.gz IDVNLZNZTZYMKN-UHFFFAOYSA-N 1 0 348.407 -1.385 20 0 EAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658605750 415258780 /nfs/dbraw/zinc/25/87/80/415258780.db2.gz FMGJWHOHSZETLL-AWEZNQCLSA-N 1 0 342.440 -1.842 20 0 EAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658605751 415260355 /nfs/dbraw/zinc/26/03/55/415260355.db2.gz FMGJWHOHSZETLL-CQSZACIVSA-N 1 0 342.440 -1.842 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000658646012 415322668 /nfs/dbraw/zinc/32/26/68/415322668.db2.gz TUJOPCBXPFXRNX-UHFFFAOYSA-N 1 0 339.440 -1.586 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658687526 415320925 /nfs/dbraw/zinc/32/09/25/415320925.db2.gz DCDGFDZCNNDFEF-NEPJUHHUSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658687528 415322053 /nfs/dbraw/zinc/32/20/53/415322053.db2.gz DCDGFDZCNNDFEF-NWDGAFQWSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658687530 415322847 /nfs/dbraw/zinc/32/28/47/415322847.db2.gz DCDGFDZCNNDFEF-RYUDHWBXSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658687531 415322269 /nfs/dbraw/zinc/32/22/69/415322269.db2.gz DCDGFDZCNNDFEF-VXGBXAGGSA-N 1 0 340.424 -1.051 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1=O ZINC000658702053 415321457 /nfs/dbraw/zinc/32/14/57/415321457.db2.gz UYFOOIBITDFYJW-UHFFFAOYSA-N 1 0 340.424 -1.286 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000658737062 415325205 /nfs/dbraw/zinc/32/52/05/415325205.db2.gz MQISZPDYLXNQNA-GJZGRUSLSA-N 1 0 349.435 -1.026 20 0 EAADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658771498 415323841 /nfs/dbraw/zinc/32/38/41/415323841.db2.gz BOZFHGRGHDTECJ-UHFFFAOYSA-N 1 0 346.453 -1.500 20 0 EAADRO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658773542 415287728 /nfs/dbraw/zinc/28/77/28/415287728.db2.gz GCDKQQJMPAULII-AAEUAGOBSA-N 1 0 338.408 -1.309 20 0 EAADRO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658773543 415287673 /nfs/dbraw/zinc/28/76/73/415287673.db2.gz GCDKQQJMPAULII-DGCLKSJQSA-N 1 0 338.408 -1.309 20 0 EAADRO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658773544 415287382 /nfs/dbraw/zinc/28/73/82/415287382.db2.gz GCDKQQJMPAULII-WCQYABFASA-N 1 0 338.408 -1.309 20 0 EAADRO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658773545 415285716 /nfs/dbraw/zinc/28/57/16/415285716.db2.gz GCDKQQJMPAULII-YPMHNXCESA-N 1 0 338.408 -1.309 20 0 EAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1=O ZINC000658775545 415326352 /nfs/dbraw/zinc/32/63/52/415326352.db2.gz ASJWPFWNPHFDDR-UHFFFAOYSA-N 1 0 338.408 -1.532 20 0 EAADRO CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000658776208 415287427 /nfs/dbraw/zinc/28/74/27/415287427.db2.gz SWMLWMPPLTXRLP-UHFFFAOYSA-N 1 0 336.396 -1.400 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000658778858 415326589 /nfs/dbraw/zinc/32/65/89/415326589.db2.gz MHKARLLDBMWPGV-CYBMUJFWSA-N 1 0 338.408 -1.655 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000658778859 415326612 /nfs/dbraw/zinc/32/66/12/415326612.db2.gz MHKARLLDBMWPGV-ZDUSSCGKSA-N 1 0 338.408 -1.655 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1=O ZINC000658780582 415285358 /nfs/dbraw/zinc/28/53/58/415285358.db2.gz ZCTPTSJLNMIDEY-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1=O ZINC000658780583 415286311 /nfs/dbraw/zinc/28/63/11/415286311.db2.gz ZCTPTSJLNMIDEY-ZDUSSCGKSA-N 1 0 340.424 -1.144 20 0 EAADRO O=C(NCCO[C@H]1CC1(F)F)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000658784562 415324382 /nfs/dbraw/zinc/32/43/82/415324382.db2.gz FBNWSHKVGFAPAO-AXFHLTTASA-N 1 0 333.335 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CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659564739 415025223 /nfs/dbraw/zinc/02/52/23/415025223.db2.gz KCXORRCOOHYPLX-YNEHKIRRSA-N 1 0 346.453 -1.513 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659566043 415026198 /nfs/dbraw/zinc/02/61/98/415026198.db2.gz XGOHINYSUFINSB-FRRDWIJNSA-N 1 0 346.453 -1.513 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659566044 415024474 /nfs/dbraw/zinc/02/44/74/415024474.db2.gz XGOHINYSUFINSB-JHJVBQTASA-N 1 0 346.453 -1.513 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659566045 415025144 /nfs/dbraw/zinc/02/51/44/415025144.db2.gz XGOHINYSUFINSB-RWMBFGLXSA-N 1 0 346.453 -1.513 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659566046 415025574 /nfs/dbraw/zinc/02/55/74/415025574.db2.gz XGOHINYSUFINSB-YNEHKIRRSA-N 1 0 346.453 -1.513 20 0 EAADRO [NH3+]C1(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCC1 ZINC000659571389 415328472 /nfs/dbraw/zinc/32/84/72/415328472.db2.gz WRISOYQNZBOASX-UHFFFAOYSA-N 1 0 336.400 -1.202 20 0 EAADRO [NH3+]C1(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CCCC1 ZINC000659575546 415330100 /nfs/dbraw/zinc/33/01/00/415330100.db2.gz PPIGWRYVECRULX-UHFFFAOYSA-N 1 0 345.469 -1.113 20 0 EAADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659609537 415328910 /nfs/dbraw/zinc/32/89/10/415328910.db2.gz BQDBEDRFCRSXPK-UHFFFAOYSA-N 1 0 331.442 -1.128 20 0 EAADRO O=C(NCC12CC(C1)C[NH2+]2)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000659610842 415327741 /nfs/dbraw/zinc/32/77/41/415327741.db2.gz JUXRMOVOBSKNDA-UHFFFAOYSA-N 1 0 343.453 -1.633 20 0 EAADRO CNS(=O)(=O)NC1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659613453 415330347 /nfs/dbraw/zinc/33/03/47/415330347.db2.gz GYYOUCRZQIEIPN-UHFFFAOYSA-N 1 0 331.442 -1.034 20 0 EAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659617248 415330189 /nfs/dbraw/zinc/33/01/89/415330189.db2.gz RLSJDGQEFBLUHE-UHFFFAOYSA-N 1 0 335.408 -1.129 20 0 EAADRO COCCNC(=O)CN1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659618416 415329808 /nfs/dbraw/zinc/32/98/08/415329808.db2.gz MLBQOQPEFGRCHB-UHFFFAOYSA-N 1 0 339.440 -1.172 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000659619270 415328221 /nfs/dbraw/zinc/32/82/21/415328221.db2.gz MXWZYWLGOCNZAQ-CYBMUJFWSA-N 1 0 347.485 -1.011 20 0 EAADRO O=C(Cn1cnnn1)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659620720 415328326 /nfs/dbraw/zinc/32/83/26/415328326.db2.gz OBWVUUWHYGXLOL-UHFFFAOYSA-N 1 0 334.384 -1.721 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000659624524 415329505 /nfs/dbraw/zinc/32/95/05/415329505.db2.gz ONSPMKJAOYVDSW-GFCCVEGCSA-N 1 0 338.416 -1.100 20 0 EAADRO COCCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000659631086 415333136 /nfs/dbraw/zinc/33/31/36/415333136.db2.gz QHWHZWBNZNWZQQ-UHFFFAOYSA-N 1 0 338.368 -1.359 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000659637386 415331347 /nfs/dbraw/zinc/33/13/47/415331347.db2.gz FFDJMQSUHIJUSS-GFCCVEGCSA-N 1 0 341.412 -1.693 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000659637391 415333063 /nfs/dbraw/zinc/33/30/63/415333063.db2.gz FFDJMQSUHIJUSS-LBPRGKRZSA-N 1 0 341.412 -1.693 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000659638726 415331556 /nfs/dbraw/zinc/33/15/56/415331556.db2.gz UWLFKDDREVEMNR-CYBMUJFWSA-N 1 0 327.429 -1.220 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000659638727 415332827 /nfs/dbraw/zinc/33/28/27/415332827.db2.gz UWLFKDDREVEMNR-ZDUSSCGKSA-N 1 0 327.429 -1.220 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000659639531 415332048 /nfs/dbraw/zinc/33/20/48/415332048.db2.gz QBRHBHWASOSPHB-GFCCVEGCSA-N 1 0 349.457 -1.502 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000659639535 415332324 /nfs/dbraw/zinc/33/23/24/415332324.db2.gz QBRHBHWASOSPHB-LBPRGKRZSA-N 1 0 349.457 -1.502 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000659640068 415085846 /nfs/dbraw/zinc/08/58/46/415085846.db2.gz TVXLZTDQFDACDQ-CYBMUJFWSA-N 1 0 327.429 -1.220 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000659640069 415088030 /nfs/dbraw/zinc/08/80/30/415088030.db2.gz TVXLZTDQFDACDQ-ZDUSSCGKSA-N 1 0 327.429 -1.220 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000659642209 415332233 /nfs/dbraw/zinc/33/22/33/415332233.db2.gz WGMKHAQLPALOGO-JTQLQIEISA-N 1 0 339.400 -1.734 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000659642211 415331157 /nfs/dbraw/zinc/33/11/57/415331157.db2.gz WGMKHAQLPALOGO-SNVBAGLBSA-N 1 0 339.400 -1.734 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000659644964 415332034 /nfs/dbraw/zinc/33/20/34/415332034.db2.gz IMESGZAKJFOPGG-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000659644966 415331130 /nfs/dbraw/zinc/33/11/30/415331130.db2.gz IMESGZAKJFOPGG-NSHDSACASA-N 1 0 339.396 -1.403 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000659670286 415331071 /nfs/dbraw/zinc/33/10/71/415331071.db2.gz CHUDOGNXNBZLCW-LLVKDONJSA-N 1 0 338.412 -1.389 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000659670289 415331970 /nfs/dbraw/zinc/33/19/70/415331970.db2.gz CHUDOGNXNBZLCW-NSHDSACASA-N 1 0 338.412 -1.389 20 0 EAADRO CN(CCC[NH3+])C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000659674400 415332059 /nfs/dbraw/zinc/33/20/59/415332059.db2.gz HEOKGKJKFUQAAC-UHFFFAOYSA-N 1 0 349.457 -2.513 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000659675186 415331010 /nfs/dbraw/zinc/33/10/10/415331010.db2.gz LOCLRLVCHBEOTB-LLVKDONJSA-N 1 0 349.457 -2.596 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000659675191 415332026 /nfs/dbraw/zinc/33/20/26/415332026.db2.gz LOCLRLVCHBEOTB-NSHDSACASA-N 1 0 349.457 -2.596 20 0 EAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659675250 415331988 /nfs/dbraw/zinc/33/19/88/415331988.db2.gz MSRKGXYPOCHLBD-NSHDSACASA-N 1 0 347.441 -2.842 20 0 EAADRO CCN(CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])S(C)(=O)=O ZINC000659675301 415332336 /nfs/dbraw/zinc/33/23/36/415332336.db2.gz NIRDTNQWZMEGND-UHFFFAOYSA-N 1 0 336.458 -1.030 20 0 EAADRO CCN(CCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)S(C)(=O)=O ZINC000659675653 415332123 /nfs/dbraw/zinc/33/21/23/415332123.db2.gz SEEXZLQLQAPVJB-UHFFFAOYSA-N 1 0 346.453 -1.276 20 0 EAADRO CCN(CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)S(C)(=O)=O ZINC000659676384 415331677 /nfs/dbraw/zinc/33/16/77/415331677.db2.gz XTWJENPCSMNGGX-UHFFFAOYSA-N 1 0 346.453 -1.358 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000659682420 415332941 /nfs/dbraw/zinc/33/29/41/415332941.db2.gz ZLLQDCULKXKEAG-CYBMUJFWSA-N 1 0 342.440 -1.292 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000659682422 415332461 /nfs/dbraw/zinc/33/24/61/415332461.db2.gz ZLLQDCULKXKEAG-ZDUSSCGKSA-N 1 0 342.440 -1.292 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000659687533 415334007 /nfs/dbraw/zinc/33/40/07/415334007.db2.gz LQKJKNRWNGAGQW-LLVKDONJSA-N 1 0 342.421 -1.195 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000659687534 415334815 /nfs/dbraw/zinc/33/48/15/415334815.db2.gz LQKJKNRWNGAGQW-NSHDSACASA-N 1 0 342.421 -1.195 20 0 EAADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CN1CCOCC1 ZINC000659692796 415135189 /nfs/dbraw/zinc/13/51/89/415135189.db2.gz XOUNLWOWIKHOHR-JHJVBQTASA-N 1 0 330.404 -1.031 20 0 EAADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CN1CCOCC1 ZINC000659692797 415133965 /nfs/dbraw/zinc/13/39/65/415133965.db2.gz XOUNLWOWIKHOHR-YNEHKIRRSA-N 1 0 330.404 -1.031 20 0 EAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000659693407 415139933 /nfs/dbraw/zinc/13/99/33/415139933.db2.gz KBTRXTRDKQVKLY-LLVKDONJSA-N 1 0 336.396 -1.163 20 0 EAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000659693408 415141243 /nfs/dbraw/zinc/14/12/43/415141243.db2.gz KBTRXTRDKQVKLY-NSHDSACASA-N 1 0 336.396 -1.163 20 0 EAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2=O)cn1 ZINC000659694146 415335199 /nfs/dbraw/zinc/33/51/99/415335199.db2.gz QMVFUBRYVRSRTM-YWFMTQBDSA-N 1 0 346.391 -1.490 20 0 EAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2=O)cn1 ZINC000659694154 415336701 /nfs/dbraw/zinc/33/67/01/415336701.db2.gz QMVFUBRYVRSRTM-YZKWQOGNSA-N 1 0 346.391 -1.490 20 0 EAADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659694446 415335974 /nfs/dbraw/zinc/33/59/74/415335974.db2.gz KNLMNJCXJCTOCD-UHFFFAOYSA-N 1 0 331.376 -1.204 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000659696184 415336596 /nfs/dbraw/zinc/33/65/96/415336596.db2.gz APAAEPQPRSTUSU-GFCCVEGCSA-N 1 0 335.408 -1.077 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000659696185 415335404 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CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)c1 ZINC000659699577 415336745 /nfs/dbraw/zinc/33/67/45/415336745.db2.gz YDBDSHLYLJGGLH-SNVBAGLBSA-N 1 0 342.421 -1.065 20 0 EAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659703378 415334687 /nfs/dbraw/zinc/33/46/87/415334687.db2.gz AJWPKJSJIJUXNS-UHFFFAOYSA-N 1 0 336.458 -1.030 20 0 EAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659703459 415336339 /nfs/dbraw/zinc/33/63/39/415336339.db2.gz CMEOOYRAKGLRIM-UHFFFAOYSA-N 1 0 346.453 -1.358 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000659704859 415335884 /nfs/dbraw/zinc/33/58/84/415335884.db2.gz OVWWPPZDDCNPCG-GHMZBOCLSA-N 1 0 336.396 -1.244 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000659704861 415335428 /nfs/dbraw/zinc/33/54/28/415335428.db2.gz OVWWPPZDDCNPCG-MNOVXSKESA-N 1 0 336.396 -1.244 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000659704863 415336942 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CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659729894 415337570 /nfs/dbraw/zinc/33/75/70/415337570.db2.gz PUCMFQZEMOUZQW-XWDDTNKTSA-N 1 0 331.394 -2.136 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659729895 415338055 /nfs/dbraw/zinc/33/80/55/415338055.db2.gz PUCMFQZEMOUZQW-YZOMMJAFSA-N 1 0 331.394 -2.136 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000659729917 415338861 /nfs/dbraw/zinc/33/88/61/415338861.db2.gz QGMQCMNWSXNIOT-FIQHERPVSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000659729918 415339137 /nfs/dbraw/zinc/33/91/37/415339137.db2.gz QGMQCMNWSXNIOT-NOOOWODRSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000659729919 415337618 /nfs/dbraw/zinc/33/76/18/415337618.db2.gz QGMQCMNWSXNIOT-WHOHXGKFSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659729920 415339756 /nfs/dbraw/zinc/33/97/56/415339756.db2.gz QGMQCMNWSXNIOT-WISYIIOYSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000659730257 415339248 /nfs/dbraw/zinc/33/92/48/415339248.db2.gz QWNFIIIWZYHKGU-GRYCIOLGSA-N 1 0 349.453 -1.254 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000659730258 415337903 /nfs/dbraw/zinc/33/79/03/415337903.db2.gz QWNFIIIWZYHKGU-IJLUTSLNSA-N 1 0 349.453 -1.254 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000659730259 415339477 /nfs/dbraw/zinc/33/94/77/415339477.db2.gz QWNFIIIWZYHKGU-QJPTWQEYSA-N 1 0 349.453 -1.254 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000659730260 415337986 /nfs/dbraw/zinc/33/79/86/415337986.db2.gz QWNFIIIWZYHKGU-SDDRHHMPSA-N 1 0 349.453 -1.254 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000659730325 415338233 /nfs/dbraw/zinc/33/82/33/415338233.db2.gz SLVWSPKFHJENEM-CHWFTXMASA-N 1 0 333.410 -1.877 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659730339 415338930 /nfs/dbraw/zinc/33/89/30/415338930.db2.gz SVTGVTJBAZHTRE-KXNHARMFSA-N 1 0 345.421 -1.733 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659730340 415338287 /nfs/dbraw/zinc/33/82/87/415338287.db2.gz SVTGVTJBAZHTRE-NOOOWODRSA-N 1 0 345.421 -1.733 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659730341 415337522 /nfs/dbraw/zinc/33/75/22/415337522.db2.gz SVTGVTJBAZHTRE-RHYQMDGZSA-N 1 0 345.421 -1.733 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659730342 415338869 /nfs/dbraw/zinc/33/88/69/415338869.db2.gz SVTGVTJBAZHTRE-WRWGMCAJSA-N 1 0 345.421 -1.733 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659730808 415338452 /nfs/dbraw/zinc/33/84/52/415338452.db2.gz VNXBEQQDHBHNKP-CABQIACGSA-N 1 0 331.394 -2.217 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659730809 415338622 /nfs/dbraw/zinc/33/86/22/415338622.db2.gz VNXBEQQDHBHNKP-LIVJGEBJSA-N 1 0 331.394 -2.217 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659730932 415156738 /nfs/dbraw/zinc/15/67/38/415156738.db2.gz VNXBEQQDHBHNKP-XWDDTNKTSA-N 1 0 331.394 -2.217 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659730933 415157651 /nfs/dbraw/zinc/15/76/51/415157651.db2.gz VNXBEQQDHBHNKP-YZOMMJAFSA-N 1 0 331.394 -2.217 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000659730945 415339257 /nfs/dbraw/zinc/33/92/57/415339257.db2.gz VWIDNTJTXDXBAF-NXEZZACHSA-N 1 0 335.426 -1.642 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000659730946 415156111 /nfs/dbraw/zinc/15/61/11/415156111.db2.gz VWIDNTJTXDXBAF-UWVGGRQHSA-N 1 0 335.426 -1.642 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000659730947 415158089 /nfs/dbraw/zinc/15/80/89/415158089.db2.gz VWIDNTJTXDXBAF-VHSXEESVSA-N 1 0 335.426 -1.642 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000659730948 415155707 /nfs/dbraw/zinc/15/57/07/415155707.db2.gz VWIDNTJTXDXBAF-ZJUUUORDSA-N 1 0 335.426 -1.642 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000659731005 415338967 /nfs/dbraw/zinc/33/89/67/415338967.db2.gz WOFCVEAZWCMEER-FIQHERPVSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000659731007 415339347 /nfs/dbraw/zinc/33/93/47/415339347.db2.gz WOFCVEAZWCMEER-NNYUYHANSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000659731008 415338492 /nfs/dbraw/zinc/33/84/92/415338492.db2.gz WOFCVEAZWCMEER-NOOOWODRSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000659731009 415339197 /nfs/dbraw/zinc/33/91/97/415339197.db2.gz WOFCVEAZWCMEER-WRWGMCAJSA-N 1 0 347.437 -1.500 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731163 415338194 /nfs/dbraw/zinc/33/81/94/415338194.db2.gz ZWVFKSDHXJFYFF-NXEZZACHSA-N 1 0 333.410 -1.698 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731164 415157473 /nfs/dbraw/zinc/15/74/73/415157473.db2.gz ZWVFKSDHXJFYFF-UWVGGRQHSA-N 1 0 333.410 -1.698 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731165 415158130 /nfs/dbraw/zinc/15/81/30/415158130.db2.gz ZWVFKSDHXJFYFF-VHSXEESVSA-N 1 0 333.410 -1.698 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731166 415156657 /nfs/dbraw/zinc/15/66/57/415156657.db2.gz ZWVFKSDHXJFYFF-ZJUUUORDSA-N 1 0 333.410 -1.698 20 0 EAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659731267 415337789 /nfs/dbraw/zinc/33/77/89/415337789.db2.gz CPIMOFITJJUENK-NSHDSACASA-N 1 0 337.380 -2.586 20 0 EAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659731367 415337507 /nfs/dbraw/zinc/33/75/07/415337507.db2.gz UGVOZCVJCMHNPC-JTQLQIEISA-N 1 0 336.356 -3.178 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659731883 415339063 /nfs/dbraw/zinc/33/90/63/415339063.db2.gz ARFGBXZMQJSUIG-LLVKDONJSA-N 1 0 346.453 -1.086 20 0 EAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659731885 415338181 /nfs/dbraw/zinc/33/81/81/415338181.db2.gz ARFGBXZMQJSUIG-NSHDSACASA-N 1 0 346.453 -1.086 20 0 EAADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659731971 415339073 /nfs/dbraw/zinc/33/90/73/415339073.db2.gz HRSNUKMJYLGSEP-UHFFFAOYSA-N 1 0 339.440 -1.218 20 0 EAADRO Cn1cc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2=O)cn1 ZINC000659732186 415339555 /nfs/dbraw/zinc/33/95/55/415339555.db2.gz GTRSJLKULBNZMQ-UHFFFAOYSA-N 1 0 348.407 -1.017 20 0 EAADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732437 415337693 /nfs/dbraw/zinc/33/76/93/415337693.db2.gz NGTZGRVQRUATOE-UHFFFAOYSA-N 1 0 332.426 -1.522 20 0 EAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659732622 415338528 /nfs/dbraw/zinc/33/85/28/415338528.db2.gz MXAOCNOXVILWOV-GFCCVEGCSA-N 1 0 326.397 -1.262 20 0 EAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659732624 415339409 /nfs/dbraw/zinc/33/94/09/415339409.db2.gz MXAOCNOXVILWOV-LBPRGKRZSA-N 1 0 326.397 -1.262 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733992 415156667 /nfs/dbraw/zinc/15/66/67/415156667.db2.gz HYTZIBWPHDMAEY-UHFFFAOYSA-N 1 0 335.412 -1.149 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659734574 415337820 /nfs/dbraw/zinc/33/78/20/415337820.db2.gz NLWPDBAWVZHHRY-UHFFFAOYSA-N 1 0 339.440 -1.346 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734899 415156330 /nfs/dbraw/zinc/15/63/30/415156330.db2.gz UPCGQMRHFRCAHT-LLVKDONJSA-N 1 0 346.453 -1.086 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734900 415155807 /nfs/dbraw/zinc/15/58/07/415155807.db2.gz UPCGQMRHFRCAHT-NSHDSACASA-N 1 0 346.453 -1.086 20 0 EAADRO COCC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735190 415338746 /nfs/dbraw/zinc/33/87/46/415338746.db2.gz PVIMZKJADKDLIX-UHFFFAOYSA-N 1 0 326.397 -1.309 20 0 EAADRO COc1ccnc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1F ZINC000659735554 415337933 /nfs/dbraw/zinc/33/79/33/415337933.db2.gz IUBQKDJFZKECEP-JTQLQIEISA-N 1 0 339.371 -1.053 20 0 EAADRO COc1ccnc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1F ZINC000659735555 415337400 /nfs/dbraw/zinc/33/74/00/415337400.db2.gz IUBQKDJFZKECEP-SNVBAGLBSA-N 1 0 339.371 -1.053 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659736371 415338912 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EAADRO CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659742374 415342117 /nfs/dbraw/zinc/34/21/17/415342117.db2.gz GFDOPZRXBSAHJI-CVZZAPKMSA-N 1 0 329.422 -1.110 20 0 EAADRO CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659742376 415343438 /nfs/dbraw/zinc/34/34/38/415343438.db2.gz GFDOPZRXBSAHJI-IQLKVPPVSA-N 1 0 329.422 -1.110 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742625 415342767 /nfs/dbraw/zinc/34/27/67/415342767.db2.gz UYKBVSUXSRECNV-CVZZAPKMSA-N 1 0 344.437 -1.605 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742627 415343945 /nfs/dbraw/zinc/34/39/45/415343945.db2.gz UYKBVSUXSRECNV-IQLKVPPVSA-N 1 0 344.437 -1.605 20 0 EAADRO Cn1ccnc1CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742633 415342685 /nfs/dbraw/zinc/34/26/85/415342685.db2.gz VAJFTWBLSUEYNT-UHFFFAOYSA-N 1 0 346.435 -1.068 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742748 415341554 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EAADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659744074 415343743 /nfs/dbraw/zinc/34/37/43/415343743.db2.gz QPHOLXOWTMPSOF-YZKWQOGNSA-N 1 0 335.408 -1.083 20 0 EAADRO COCCN1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000659744222 415343561 /nfs/dbraw/zinc/34/35/61/415343561.db2.gz SBTKXMUUTFXCKV-UHFFFAOYSA-N 1 0 338.408 -1.438 20 0 EAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659744262 415343055 /nfs/dbraw/zinc/34/30/55/415343055.db2.gz TYRLNKAWPMIJHJ-CVZZAPKMSA-N 1 0 344.437 -1.605 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659744263 415343570 /nfs/dbraw/zinc/34/35/70/415343570.db2.gz TYRLNKAWPMIJHJ-IQLKVPPVSA-N 1 0 344.437 -1.605 20 0 EAADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ncccn2)CC1 ZINC000659744596 415342618 /nfs/dbraw/zinc/34/26/18/415342618.db2.gz YAJUOBMVCOGAQL-UHFFFAOYSA-N 1 0 330.392 -1.007 20 0 EAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CCO1 ZINC000659744935 415342203 /nfs/dbraw/zinc/34/22/03/415342203.db2.gz UJQITGGGNLSMRM-CHWSQXEVSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CCO1 ZINC000659744936 415343895 /nfs/dbraw/zinc/34/38/95/415343895.db2.gz UJQITGGGNLSMRM-QWHCGFSZSA-N 1 0 328.413 -1.161 20 0 EAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659745450 415343577 /nfs/dbraw/zinc/34/35/77/415343577.db2.gz RWBOGXCZAKUDPH-CVZZAPKMSA-N 1 0 344.437 -1.605 20 0 EAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659745451 415341793 /nfs/dbraw/zinc/34/17/93/415341793.db2.gz RWBOGXCZAKUDPH-IQLKVPPVSA-N 1 0 344.437 -1.605 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000659746020 415343662 /nfs/dbraw/zinc/34/36/62/415343662.db2.gz GQDKTXHIUCHFSL-LLVKDONJSA-N 1 0 334.442 -1.420 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(C3CC3)CC2)n1 ZINC000659747394 415343914 /nfs/dbraw/zinc/34/39/14/415343914.db2.gz DHYKJKRLYMZIDW-UHFFFAOYSA-N 1 0 334.380 -1.436 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCOC[C@@H]2C2CC2)n1 ZINC000659747775 415343105 /nfs/dbraw/zinc/34/31/05/415343105.db2.gz JOWBGMKCSYTSKJ-LLVKDONJSA-N 1 0 335.364 -1.106 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCOC[C@H]2C2CC2)n1 ZINC000659747781 415341768 /nfs/dbraw/zinc/34/17/68/415341768.db2.gz JOWBGMKCSYTSKJ-NSHDSACASA-N 1 0 335.364 -1.106 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(C3CCC3)CC2)n1 ZINC000659747861 415341410 /nfs/dbraw/zinc/34/14/10/415341410.db2.gz KXPBLVRAKZGYOP-UHFFFAOYSA-N 1 0 348.407 -1.046 20 0 EAADRO CCN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000659748047 415157677 /nfs/dbraw/zinc/15/76/77/415157677.db2.gz MZXZVYWZQMNTFG-UHFFFAOYSA-N 1 0 336.352 -2.052 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(CC3CC3)CC2)n1 ZINC000659748267 415343689 /nfs/dbraw/zinc/34/36/89/415343689.db2.gz RLFMQBDGPDMWAC-UHFFFAOYSA-N 1 0 348.407 -1.189 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)n1 ZINC000659748422 415342578 /nfs/dbraw/zinc/34/25/78/415342578.db2.gz VTLDWCLNACMTCV-KOLCDFICSA-N 1 0 335.364 -1.106 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)n1 ZINC000659748651 415342130 /nfs/dbraw/zinc/34/21/30/415342130.db2.gz ZPCQEWIWTWZJTK-UHFFFAOYSA-N 1 0 348.363 -1.910 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC(=O)N1C ZINC000659748707 415344139 /nfs/dbraw/zinc/34/41/39/415344139.db2.gz LMTZMNPGQYBHSX-MRVPVSSYSA-N 1 0 336.352 -2.054 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC(=O)N1C ZINC000659748708 415342706 /nfs/dbraw/zinc/34/27/06/415342706.db2.gz LMTZMNPGQYBHSX-QMMMGPOBSA-N 1 0 336.352 -2.054 20 0 EAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659748951 415342452 /nfs/dbraw/zinc/34/24/52/415342452.db2.gz CKTRRKQRQRPHRY-CYBMUJFWSA-N 1 0 341.456 -1.277 20 0 EAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659748952 415342081 /nfs/dbraw/zinc/34/20/81/415342081.db2.gz CKTRRKQRQRPHRY-ZDUSSCGKSA-N 1 0 341.456 -1.277 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000659748995 415344166 /nfs/dbraw/zinc/34/41/66/415344166.db2.gz CZGZICLDMZTZOL-LLVKDONJSA-N 1 0 336.396 -1.847 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000659748996 415343184 /nfs/dbraw/zinc/34/31/84/415343184.db2.gz CZGZICLDMZTZOL-NSHDSACASA-N 1 0 336.396 -1.847 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)n1 ZINC000659749560 415341377 /nfs/dbraw/zinc/34/13/77/415341377.db2.gz ZBNKLCDUBOQCBJ-LLVKDONJSA-N 1 0 335.364 -1.106 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@H](C3CC3)C2)n1 ZINC000659749561 415342786 /nfs/dbraw/zinc/34/27/86/415342786.db2.gz ZBNKLCDUBOQCBJ-NSHDSACASA-N 1 0 335.364 -1.106 20 0 EAADRO C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749566 415343749 /nfs/dbraw/zinc/34/37/49/415343749.db2.gz ZEQYVACZEDIPKC-NXEZZACHSA-N 1 0 337.380 -1.124 20 0 EAADRO C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749570 415343523 /nfs/dbraw/zinc/34/35/23/415343523.db2.gz ZEQYVACZEDIPKC-UWVGGRQHSA-N 1 0 337.380 -1.124 20 0 EAADRO C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749574 415341746 /nfs/dbraw/zinc/34/17/46/415341746.db2.gz ZEQYVACZEDIPKC-VHSXEESVSA-N 1 0 337.380 -1.124 20 0 EAADRO C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749578 415342160 /nfs/dbraw/zinc/34/21/60/415342160.db2.gz ZEQYVACZEDIPKC-ZJUUUORDSA-N 1 0 337.380 -1.124 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000659749977 415341635 /nfs/dbraw/zinc/34/16/35/415341635.db2.gz LEKNXOCCCMEHHQ-CYBMUJFWSA-N 1 0 339.440 -1.523 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000659749978 415341584 /nfs/dbraw/zinc/34/15/84/415341584.db2.gz LEKNXOCCCMEHHQ-ZDUSSCGKSA-N 1 0 339.440 -1.523 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000659750877 415157096 /nfs/dbraw/zinc/15/70/96/415157096.db2.gz QUPZUZNIAUUSGV-JTQLQIEISA-N 1 0 338.372 -2.932 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000659750894 415160794 /nfs/dbraw/zinc/16/07/94/415160794.db2.gz QUPZUZNIAUUSGV-SNVBAGLBSA-N 1 0 338.372 -2.932 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000659751264 415344132 /nfs/dbraw/zinc/34/41/32/415344132.db2.gz SSNDCCIPVZMYOL-LLVKDONJSA-N 1 0 336.396 -1.142 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000659751266 415342777 /nfs/dbraw/zinc/34/27/77/415342777.db2.gz SSNDCCIPVZMYOL-NSHDSACASA-N 1 0 336.396 -1.142 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000659751354 415341627 /nfs/dbraw/zinc/34/16/27/415341627.db2.gz UFBLISHMLDFDPC-JTQLQIEISA-N 1 0 339.396 -2.340 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000659751355 415342872 /nfs/dbraw/zinc/34/28/72/415342872.db2.gz UFBLISHMLDFDPC-SNVBAGLBSA-N 1 0 339.396 -2.340 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000659751366 415341854 /nfs/dbraw/zinc/34/18/54/415341854.db2.gz GWFGPWOCKQMXHQ-NEPJUHHUSA-N 1 0 339.440 -1.478 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000659751367 415343145 /nfs/dbraw/zinc/34/31/45/415343145.db2.gz GWFGPWOCKQMXHQ-NWDGAFQWSA-N 1 0 339.440 -1.478 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000659751368 415341562 /nfs/dbraw/zinc/34/15/62/415341562.db2.gz GWFGPWOCKQMXHQ-RYUDHWBXSA-N 1 0 339.440 -1.478 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000659751369 415342884 /nfs/dbraw/zinc/34/28/84/415342884.db2.gz GWFGPWOCKQMXHQ-VXGBXAGGSA-N 1 0 339.440 -1.478 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000659751538 415342417 /nfs/dbraw/zinc/34/24/17/415342417.db2.gz VHJZMGKDMQTHQM-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000659751539 415343219 /nfs/dbraw/zinc/34/32/19/415343219.db2.gz VHJZMGKDMQTHQM-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000659751540 415342066 /nfs/dbraw/zinc/34/20/66/415342066.db2.gz VHJZMGKDMQTHQM-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000659751541 415163153 /nfs/dbraw/zinc/16/31/53/415163153.db2.gz VHJZMGKDMQTHQM-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000659751546 415160813 /nfs/dbraw/zinc/16/08/13/415160813.db2.gz VLANGHOEFCLHQU-LLVKDONJSA-N 1 0 325.413 -1.867 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000659751547 415161654 /nfs/dbraw/zinc/16/16/54/415161654.db2.gz VLANGHOEFCLHQU-NSHDSACASA-N 1 0 325.413 -1.867 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000659751550 415342476 /nfs/dbraw/zinc/34/24/76/415342476.db2.gz VLOXDSPUJCXTQE-LLVKDONJSA-N 1 0 348.407 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415344081 /nfs/dbraw/zinc/34/40/81/415344081.db2.gz YUYYDWSKGTYOFD-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000659752316 415160803 /nfs/dbraw/zinc/16/08/03/415160803.db2.gz YUYYDWSKGTYOFD-VXGBXAGGSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000659752608 415343379 /nfs/dbraw/zinc/34/33/79/415343379.db2.gz KFLZUELFFDIYKB-LLVKDONJSA-N 1 0 336.396 -1.142 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000659752609 415343111 /nfs/dbraw/zinc/34/31/11/415343111.db2.gz KFLZUELFFDIYKB-NSHDSACASA-N 1 0 336.396 -1.142 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000659753635 415343271 /nfs/dbraw/zinc/34/32/71/415343271.db2.gz QVFYFIQPBIJQJX-GFCCVEGCSA-N 1 0 327.429 -1.667 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000659753638 415342942 /nfs/dbraw/zinc/34/29/42/415342942.db2.gz QVFYFIQPBIJQJX-LBPRGKRZSA-N 1 0 327.429 -1.667 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(COC)COC)CC1 ZINC000659753986 415159097 /nfs/dbraw/zinc/15/90/97/415159097.db2.gz CDVYJUDCEXUTKG-GFCCVEGCSA-N 1 0 330.429 -1.484 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(COC)COC)CC1 ZINC000659753997 415159588 /nfs/dbraw/zinc/15/95/88/415159588.db2.gz CDVYJUDCEXUTKG-LBPRGKRZSA-N 1 0 330.429 -1.484 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000659754311 415161114 /nfs/dbraw/zinc/16/11/14/415161114.db2.gz DSFNRCCJYRVANA-AVGNSLFASA-N 1 0 331.413 -1.417 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000659754312 415163313 /nfs/dbraw/zinc/16/33/13/415163313.db2.gz DSFNRCCJYRVANA-RWMBFGLXSA-N 1 0 331.413 -1.417 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000659754313 415161252 /nfs/dbraw/zinc/16/12/52/415161252.db2.gz DSFNRCCJYRVANA-XQQFMLRXSA-N 1 0 331.413 -1.417 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000659754314 415158987 /nfs/dbraw/zinc/15/89/87/415158987.db2.gz DSFNRCCJYRVANA-YNEHKIRRSA-N 1 0 331.413 -1.417 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000659755744 415342462 /nfs/dbraw/zinc/34/24/62/415342462.db2.gz ZODUHMLFHJDABG-LLVKDONJSA-N 1 0 348.407 -1.447 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000659755746 415343135 /nfs/dbraw/zinc/34/31/35/415343135.db2.gz ZODUHMLFHJDABG-NSHDSACASA-N 1 0 348.407 -1.447 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659756366 415344122 /nfs/dbraw/zinc/34/41/22/415344122.db2.gz QWKWOVGPPZMTRD-CHWSQXEVSA-N 1 0 341.456 -1.231 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659756374 415341448 /nfs/dbraw/zinc/34/14/48/415341448.db2.gz QWKWOVGPPZMTRD-OLZOCXBDSA-N 1 0 341.456 -1.231 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659756377 415343258 /nfs/dbraw/zinc/34/32/58/415343258.db2.gz QWKWOVGPPZMTRD-QWHCGFSZSA-N 1 0 341.456 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ZINC000659758071 415161126 /nfs/dbraw/zinc/16/11/26/415161126.db2.gz XOSIFJUWHUFVGD-MRVPVSSYSA-N 1 0 327.414 -1.507 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000659758075 415160342 /nfs/dbraw/zinc/16/03/42/415160342.db2.gz XOSIFJUWHUFVGD-QMMMGPOBSA-N 1 0 327.414 -1.507 20 0 EAADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000660028684 415342644 /nfs/dbraw/zinc/34/26/44/415342644.db2.gz UIAJHMWFPXNLFB-JTQLQIEISA-N 1 0 330.410 -1.153 20 0 EAADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000660028686 415342356 /nfs/dbraw/zinc/34/23/56/415342356.db2.gz UIAJHMWFPXNLFB-SNVBAGLBSA-N 1 0 330.410 -1.153 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC(=O)N1C ZINC000660049517 415255043 /nfs/dbraw/zinc/25/50/43/415255043.db2.gz BQPBTMQZJNAQPY-GFCCVEGCSA-N 1 0 340.424 -1.409 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC(=O)N1C ZINC000660049518 415255980 /nfs/dbraw/zinc/25/59/80/415255980.db2.gz BQPBTMQZJNAQPY-LBPRGKRZSA-N 1 0 340.424 -1.409 20 0 EAADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[NH2+]1 ZINC000660187953 415345360 /nfs/dbraw/zinc/34/53/60/415345360.db2.gz KTCRRQRSBTUENZ-JTQLQIEISA-N 1 0 330.410 -1.298 20 0 EAADRO CCN1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC1=O ZINC000660192861 415345394 /nfs/dbraw/zinc/34/53/94/415345394.db2.gz LKMOKCOMSQWTEG-UHFFFAOYSA-N 1 0 340.424 -1.408 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000660550518 415345108 /nfs/dbraw/zinc/34/51/08/415345108.db2.gz CBLITXWAEMPNKG-UHFFFAOYSA-N 1 0 347.485 -1.233 20 0 EAADRO O=C(NCCN1C(=O)CNC1=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000660655188 414921795 /nfs/dbraw/zinc/92/17/95/414921795.db2.gz LQLWSGSSRCNSNQ-LLVKDONJSA-N 1 0 325.369 -1.346 20 0 EAADRO O=C(NCCN1C(=O)CNC1=O)N1CCN([C@H]2CCOC2)CC1 ZINC000660655189 414920365 /nfs/dbraw/zinc/92/03/65/414920365.db2.gz LQLWSGSSRCNSNQ-NSHDSACASA-N 1 0 325.369 -1.346 20 0 EAADRO C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660844791 415345557 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ZINC000661162038 415344543 /nfs/dbraw/zinc/34/45/43/415344543.db2.gz QBKPGJMTANXICO-QWHCGFSZSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CCO1 ZINC000661162039 415345929 /nfs/dbraw/zinc/34/59/29/415345929.db2.gz QBKPGJMTANXICO-STQMWFEESA-N 1 0 340.424 -1.051 20 0 EAADRO C[NH+]1CCC(CNC(=O)N[C@H]2CCNC2=O)(N2CCOCC2)CC1 ZINC000661314016 415348476 /nfs/dbraw/zinc/34/84/76/415348476.db2.gz ZBPKRTLUMPAMRL-ZDUSSCGKSA-N 1 0 339.440 -1.029 20 0 EAADRO Cn1c2ncn(CC[N@H+](C)C[C@@H]3COCCO3)c2c(=O)n(C)c1=O ZINC000661608130 415348821 /nfs/dbraw/zinc/34/88/21/415348821.db2.gz IAIKGBJEQIHKIA-LLVKDONJSA-N 1 0 337.380 -1.219 20 0 EAADRO Cn1c2ncn(CC[N@H+](C)C[C@H]3COCCO3)c2c(=O)n(C)c1=O ZINC000661608133 415349111 /nfs/dbraw/zinc/34/91/11/415349111.db2.gz IAIKGBJEQIHKIA-NSHDSACASA-N 1 0 337.380 -1.219 20 0 EAADRO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC(=O)N(C)CC1)c(=O)n2C ZINC000661809915 415349806 /nfs/dbraw/zinc/34/98/06/415349806.db2.gz PQAWETHDDSFLCP-UHFFFAOYSA-N 1 0 348.407 -1.012 20 0 EAADRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@H]21 ZINC000661882724 415349406 /nfs/dbraw/zinc/34/94/06/415349406.db2.gz YTZXTKMBBRBSNL-XQQFMLRXSA-N 1 0 332.422 -1.021 20 0 EAADRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC(=O)N3CCN(C)CC3)C[C@H]21 ZINC000661883949 415349431 /nfs/dbraw/zinc/34/94/31/415349431.db2.gz RSVAFWDOBUUTSS-MJBXVCDLSA-N 1 0 345.465 -1.106 20 0 EAADRO O=C(NCCN1CCNC(=O)C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661981541 415348714 /nfs/dbraw/zinc/34/87/14/415348714.db2.gz KKTRZZKKXJZPDB-AWEZNQCLSA-N 1 0 339.440 -1.029 20 0 EAADRO O=C(NCCN1CCNC(=O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661981542 415347999 /nfs/dbraw/zinc/34/79/99/415347999.db2.gz KKTRZZKKXJZPDB-CQSZACIVSA-N 1 0 339.440 -1.029 20 0 EAADRO O=C(C(=O)N1CCN(C[C@H]2C[NH2+]CCO2)CC1)N1CCOCC1 ZINC000662249738 415349025 /nfs/dbraw/zinc/34/90/25/415349025.db2.gz ZACNEDLEXQAYQN-CYBMUJFWSA-N 1 0 326.397 -2.022 20 0 EAADRO O=C(C(=O)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1)N1CCOCC1 ZINC000662249739 415349582 /nfs/dbraw/zinc/34/95/82/415349582.db2.gz ZACNEDLEXQAYQN-ZDUSSCGKSA-N 1 0 326.397 -2.022 20 0 EAADRO O=S(=O)(N1CCOCC1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662251682 415349848 /nfs/dbraw/zinc/34/98/48/415349848.db2.gz HUOGZZYWOOKIFB-CYBMUJFWSA-N 1 0 334.442 -1.831 20 0 EAADRO O=S(=O)(N1CCOCC1)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662251683 415347774 /nfs/dbraw/zinc/34/77/74/415347774.db2.gz HUOGZZYWOOKIFB-ZDUSSCGKSA-N 1 0 334.442 -1.831 20 0 EAADRO CN1CCN(S(=O)(=O)N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000662253851 415348199 /nfs/dbraw/zinc/34/81/99/415348199.db2.gz WRXKSWDCCYZFPS-AWEZNQCLSA-N 1 0 347.485 -1.915 20 0 EAADRO CN1CCN(S(=O)(=O)N2CCN(C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000662253852 415348107 /nfs/dbraw/zinc/34/81/07/415348107.db2.gz WRXKSWDCCYZFPS-CQSZACIVSA-N 1 0 347.485 -1.915 20 0 EAADRO O=C(CN1CCOCC1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261455 415347564 /nfs/dbraw/zinc/34/75/64/415347564.db2.gz XOEHIROBFDLMNT-HNNXBMFYSA-N 1 0 338.452 -1.016 20 0 EAADRO O=C(CN1CCOCC1)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261460 415348593 /nfs/dbraw/zinc/34/85/93/415348593.db2.gz XOEHIROBFDLMNT-OAHLLOKOSA-N 1 0 338.452 -1.016 20 0 EAADRO Cn1c(N)c(C(=O)CN(CC[NH3+])C[C@@H](O)CO)c(=O)n(C)c1=O ZINC000662287745 415349571 /nfs/dbraw/zinc/34/95/71/415349571.db2.gz HYTXSMSFWKSCKG-MRVPVSSYSA-N 1 0 329.357 -3.537 20 0 EAADRO Cn1c(N)c(C(=O)CN(CC[NH3+])C[C@H](O)CO)c(=O)n(C)c1=O ZINC000662287746 415349012 /nfs/dbraw/zinc/34/90/12/415349012.db2.gz HYTXSMSFWKSCKG-QMMMGPOBSA-N 1 0 329.357 -3.537 20 0 EAADRO [NH3+]CCN(CC(=O)N1CCN(c2cnccn2)CC1)C[C@@H](O)CO ZINC000662287777 415349868 /nfs/dbraw/zinc/34/98/68/415349868.db2.gz IXLYZAIHUDJRDZ-CYBMUJFWSA-N 1 0 338.412 -2.261 20 0 EAADRO [NH3+]CCN(CC(=O)N1CCN(c2cnccn2)CC1)C[C@H](O)CO ZINC000662287778 415348256 /nfs/dbraw/zinc/34/82/56/415348256.db2.gz IXLYZAIHUDJRDZ-ZDUSSCGKSA-N 1 0 338.412 -2.261 20 0 EAADRO [NH3+]CCN(CC(=O)NCCN1CCc2ccccc21)C[C@H](O)CO ZINC000662288268 415348370 /nfs/dbraw/zinc/34/83/70/415348370.db2.gz NHZSCKSZTKGWHT-HNNXBMFYSA-N 1 0 336.436 -1.221 20 0 EAADRO [NH3+]CCN(CC(=O)NCCN1CCc2ccccc21)C[C@@H](O)CO ZINC000662288269 415348179 /nfs/dbraw/zinc/34/81/79/415348179.db2.gz NHZSCKSZTKGWHT-OAHLLOKOSA-N 1 0 336.436 -1.221 20 0 EAADRO Cn1c2ncn(CCN(CC[NH3+])C[C@H](O)CO)c2c(=O)n(C)c1=O ZINC000662288330 415348291 /nfs/dbraw/zinc/34/82/91/415348291.db2.gz PCLWQRIUHSDZRH-JTQLQIEISA-N 1 0 340.384 -2.952 20 0 EAADRO Cn1c2ncn(CCN(CC[NH3+])C[C@@H](O)CO)c2c(=O)n(C)c1=O ZINC000662288331 415347688 /nfs/dbraw/zinc/34/76/88/415347688.db2.gz PCLWQRIUHSDZRH-SNVBAGLBSA-N 1 0 340.384 -2.952 20 0 EAADRO [NH3+]CCN(CC(=O)NCc1ccc2c(c1)OCO2)C[C@@H](O)CO ZINC000662288359 415349267 /nfs/dbraw/zinc/34/92/67/415349267.db2.gz GFCKHMHCMHMHNS-GFCCVEGCSA-N 1 0 325.365 -1.355 20 0 EAADRO [NH3+]CCN(CC(=O)NCc1ccc2c(c1)OCO2)C[C@H](O)CO ZINC000662288360 415349719 /nfs/dbraw/zinc/34/97/19/415349719.db2.gz GFCKHMHCMHMHNS-LBPRGKRZSA-N 1 0 325.365 -1.355 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662288639 415349047 /nfs/dbraw/zinc/34/90/47/415349047.db2.gz SDDMUORLYDOUOS-CYBMUJFWSA-N 1 0 345.444 -3.167 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662288640 415348345 /nfs/dbraw/zinc/34/83/45/415348345.db2.gz SDDMUORLYDOUOS-ZDUSSCGKSA-N 1 0 345.444 -3.167 20 0 EAADRO [NH3+]CCN(CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@@H](O)CO ZINC000662288767 415347619 /nfs/dbraw/zinc/34/76/19/415347619.db2.gz NPXOYICMSAYPQJ-CHWSQXEVSA-N 1 0 339.392 -1.444 20 0 EAADRO [NH3+]CCN(CC(=O)NC[C@H]1COc2ccccc2O1)C[C@@H](O)CO ZINC000662288768 415350381 /nfs/dbraw/zinc/35/03/81/415350381.db2.gz NPXOYICMSAYPQJ-OLZOCXBDSA-N 1 0 339.392 -1.444 20 0 EAADRO [NH3+]CCN(CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@H](O)CO ZINC000662288769 415347553 /nfs/dbraw/zinc/34/75/53/415347553.db2.gz NPXOYICMSAYPQJ-QWHCGFSZSA-N 1 0 339.392 -1.444 20 0 EAADRO [NH3+]CCN(CC(=O)NC[C@H]1COc2ccccc2O1)C[C@H](O)CO ZINC000662288770 415350029 /nfs/dbraw/zinc/35/00/29/415350029.db2.gz NPXOYICMSAYPQJ-STQMWFEESA-N 1 0 339.392 -1.444 20 0 EAADRO CS(=O)(=O)c1ccc(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662288839 415348659 /nfs/dbraw/zinc/34/86/59/415348659.db2.gz LRUPJIQSYVXFFS-GFCCVEGCSA-N 1 0 345.421 -1.358 20 0 EAADRO CS(=O)(=O)c1ccc(NC(=O)CN(CC[NH3+])C[C@H](O)CO)cc1 ZINC000662288840 415349766 /nfs/dbraw/zinc/34/97/66/415349766.db2.gz LRUPJIQSYVXFFS-LBPRGKRZSA-N 1 0 345.421 -1.358 20 0 EAADRO CN(C)C(=O)c1cccc(NC(=O)CN(CC[NH3+])C[C@H](O)CO)c1 ZINC000662288853 415348515 /nfs/dbraw/zinc/34/85/15/415348515.db2.gz MEDDHOVSFYRMJY-AWEZNQCLSA-N 1 0 338.408 -1.059 20 0 EAADRO CN(C)C(=O)c1cccc(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c1 ZINC000662288854 415347599 /nfs/dbraw/zinc/34/75/99/415347599.db2.gz MEDDHOVSFYRMJY-CQSZACIVSA-N 1 0 338.408 -1.059 20 0 EAADRO [NH3+]CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@@H](O)CO ZINC000662288855 415348444 /nfs/dbraw/zinc/34/84/44/415348444.db2.gz MHYYYFFFJCGOBQ-CYBMUJFWSA-N 1 0 328.413 -2.319 20 0 EAADRO [NH3+]CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@H](O)CO ZINC000662288856 415347680 /nfs/dbraw/zinc/34/76/80/415347680.db2.gz MHYYYFFFJCGOBQ-ZDUSSCGKSA-N 1 0 328.413 -2.319 20 0 EAADRO CN(C)C(=O)c1ccc(NC(=O)CN(CC[NH3+])C[C@H](O)CO)cc1 ZINC000662289030 415347726 /nfs/dbraw/zinc/34/77/26/415347726.db2.gz PQUJHAFQBUFIHN-AWEZNQCLSA-N 1 0 338.408 -1.059 20 0 EAADRO CN(C)C(=O)c1ccc(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662289031 415347717 /nfs/dbraw/zinc/34/77/17/415347717.db2.gz PQUJHAFQBUFIHN-CQSZACIVSA-N 1 0 338.408 -1.059 20 0 EAADRO NS(=O)(=O)c1ccc(OCCN(CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662289091 415349839 /nfs/dbraw/zinc/34/98/39/415349839.db2.gz NJQQMAMDXZJLJL-LLVKDONJSA-N 1 0 333.410 -1.673 20 0 EAADRO NS(=O)(=O)c1ccc(OCCN(CC[NH3+])C[C@H](O)CO)cc1 ZINC000662289092 415350207 /nfs/dbraw/zinc/35/02/07/415350207.db2.gz NJQQMAMDXZJLJL-NSHDSACASA-N 1 0 333.410 -1.673 20 0 EAADRO CCNC(=O)c1cccc(NC(=O)CN(CC[NH3+])C[C@H](O)CO)c1 ZINC000662289648 415348431 /nfs/dbraw/zinc/34/84/31/415348431.db2.gz UTWVNYBBJUUIEI-AWEZNQCLSA-N 1 0 338.408 -1.011 20 0 EAADRO CCNC(=O)c1cccc(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289649 415350257 /nfs/dbraw/zinc/35/02/57/415350257.db2.gz UTWVNYBBJUUIEI-CQSZACIVSA-N 1 0 338.408 -1.011 20 0 EAADRO CNC(=O)[C@H](NC(=O)CN(CC[NH3+])C[C@H](O)CO)c1ccccc1 ZINC000662289883 415349197 /nfs/dbraw/zinc/34/91/97/415349197.db2.gz YMFHQUPCJHMVGK-DZGCQCFKSA-N 1 0 338.408 -1.796 20 0 EAADRO CNC(=O)[C@@H](NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c1ccccc1 ZINC000662289884 415348548 /nfs/dbraw/zinc/34/85/48/415348548.db2.gz YMFHQUPCJHMVGK-HIFRSBDPSA-N 1 0 338.408 -1.796 20 0 EAADRO CNC(=O)[C@H](NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c1ccccc1 ZINC000662289885 415349553 /nfs/dbraw/zinc/34/95/53/415349553.db2.gz YMFHQUPCJHMVGK-UKRRQHHQSA-N 1 0 338.408 -1.796 20 0 EAADRO CNC(=O)[C@@H](NC(=O)CN(CC[NH3+])C[C@H](O)CO)c1ccccc1 ZINC000662289886 415349239 /nfs/dbraw/zinc/34/92/39/415349239.db2.gz YMFHQUPCJHMVGK-ZFWWWQNUSA-N 1 0 338.408 -1.796 20 0 EAADRO C[C@@H](NC(=O)CN(CC[NH3+])C[C@@H](O)CO)C(=O)N1CCCCC1 ZINC000662289889 415349528 /nfs/dbraw/zinc/34/95/28/415349528.db2.gz YNSLMGGLERNAAU-CHWSQXEVSA-N 1 0 330.429 -1.883 20 0 EAADRO C[C@@H](NC(=O)CN(CC[NH3+])C[C@H](O)CO)C(=O)N1CCCCC1 ZINC000662289890 415351792 /nfs/dbraw/zinc/35/17/92/415351792.db2.gz YNSLMGGLERNAAU-OLZOCXBDSA-N 1 0 330.429 -1.883 20 0 EAADRO C[C@H](NC(=O)CN(CC[NH3+])C[C@@H](O)CO)C(=O)N1CCCCC1 ZINC000662289891 415353542 /nfs/dbraw/zinc/35/35/42/415353542.db2.gz YNSLMGGLERNAAU-QWHCGFSZSA-N 1 0 330.429 -1.883 20 0 EAADRO C[C@H](NC(=O)CN(CC[NH3+])C[C@H](O)CO)C(=O)N1CCCCC1 ZINC000662289892 415353234 /nfs/dbraw/zinc/35/32/34/415353234.db2.gz YNSLMGGLERNAAU-STQMWFEESA-N 1 0 330.429 -1.883 20 0 EAADRO CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)CC(C)(C)[NH3+] ZINC000662293173 415351685 /nfs/dbraw/zinc/35/16/85/415351685.db2.gz PPJXZFFLUNLJIS-CYBMUJFWSA-N 1 0 346.497 -1.013 20 0 EAADRO CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)CC(C)(C)[NH3+] ZINC000662293174 415352203 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20 0 EAADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662690052 414836432 /nfs/dbraw/zinc/83/64/32/414836432.db2.gz YWHZBVAMZOHVHK-RYUDHWBXSA-N 1 0 334.442 -1.956 20 0 EAADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662690053 414837382 /nfs/dbraw/zinc/83/73/82/414837382.db2.gz YWHZBVAMZOHVHK-VXGBXAGGSA-N 1 0 334.442 -1.956 20 0 EAADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]21 ZINC000662697098 415352788 /nfs/dbraw/zinc/35/27/88/415352788.db2.gz BJUMRVZLHGWNFD-HNRZYHPDSA-N 1 0 330.406 -1.507 20 0 EAADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000662699036 415351556 /nfs/dbraw/zinc/35/15/56/415351556.db2.gz WFKZTWCRVYHVNI-QCNOEVLYSA-N 1 0 345.421 -1.875 20 0 EAADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C[C@H]21 ZINC000662699040 415353479 /nfs/dbraw/zinc/35/34/79/415353479.db2.gz WFKZTWCRVYHVNI-YFKTTZPYSA-N 1 0 345.421 -1.875 20 0 EAADRO O=C(CCNC(=O)C1(O)C[NH2+]C1)N1CCN(c2ccccn2)CC1 ZINC000662703792 415352442 /nfs/dbraw/zinc/35/24/42/415352442.db2.gz NKEFASDLSGEOQT-UHFFFAOYSA-N 1 0 333.392 -1.429 20 0 EAADRO O=C(CCNC(=O)C1(O)C[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000662706282 415352226 /nfs/dbraw/zinc/35/22/26/415352226.db2.gz BNMUBFGHQJRBJA-UHFFFAOYSA-N 1 0 334.380 -2.034 20 0 EAADRO O=C(CNC(=O)C1(O)C[NH2+]C1)N1CCN(Cc2ccccc2)CC1 ZINC000662708882 415352285 /nfs/dbraw/zinc/35/22/85/415352285.db2.gz QHLPGFOHXMTLEO-UHFFFAOYSA-N 1 0 332.404 -1.219 20 0 EAADRO O=C(N1CCN(Cc2nnnn2-c2ccccc2)CC1)C1(O)C[NH2+]C1 ZINC000662714484 415353550 /nfs/dbraw/zinc/35/35/50/415353550.db2.gz GWFVLJXEUFHVOD-UHFFFAOYSA-N 1 0 343.391 -1.359 20 0 EAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662714988 415352697 /nfs/dbraw/zinc/35/26/97/415352697.db2.gz OCNUPDNTYWUFSA-JBLZRFIASA-N 1 0 327.410 -1.045 20 0 EAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662714989 415352080 /nfs/dbraw/zinc/35/20/80/415352080.db2.gz OCNUPDNTYWUFSA-TTXORMCVSA-N 1 0 327.410 -1.045 20 0 EAADRO Cc1nc(S(=O)(=O)NCC(=O)NCC23CC(C2)C[NH2+]3)cn1C ZINC000662717856 415353518 /nfs/dbraw/zinc/35/35/18/415353518.db2.gz SGTMVZTWHFFWNA-UHFFFAOYSA-N 1 0 327.410 -1.125 20 0 EAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662719049 415353073 /nfs/dbraw/zinc/35/30/73/415353073.db2.gz VVBRZJQCLCVXGS-GFCCVEGCSA-N 1 0 328.413 -1.994 20 0 EAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662719050 415352887 /nfs/dbraw/zinc/35/28/87/415352887.db2.gz VVBRZJQCLCVXGS-LBPRGKRZSA-N 1 0 328.413 -1.994 20 0 EAADRO Cn1c2ncn(CCC(=O)NCC34CC(C3)C[NH2+]4)c2c(=O)n(C)c1=O ZINC000662722624 415352594 /nfs/dbraw/zinc/35/25/94/415352594.db2.gz GWBUAPZXSVUUOK-UHFFFAOYSA-N 1 0 346.391 -1.308 20 0 EAADRO Cn1c2ncn(CC(=O)NCC34CC(C3)C[NH2+]4)c2c(=O)n(C)c1=O ZINC000662724714 415352704 /nfs/dbraw/zinc/35/27/04/415352704.db2.gz RWFGFFPORDNFJH-UHFFFAOYSA-N 1 0 332.364 -1.698 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000662724892 415352166 /nfs/dbraw/zinc/35/21/66/415352166.db2.gz SQEASWNGVZEMPV-SNVBAGLBSA-N 1 0 336.396 -1.077 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000662724978 415351780 /nfs/dbraw/zinc/35/17/80/415351780.db2.gz VJVLFPQUUWRPDR-SNVBAGLBSA-N 1 0 336.396 -1.077 20 0 EAADRO Cn1cnc2c1c(=O)n(CC(=O)NCC13CC(C1)C[NH2+]3)c(=O)n2C ZINC000662725263 415353414 /nfs/dbraw/zinc/35/34/14/415353414.db2.gz WRYUFGKUVGKWFA-UHFFFAOYSA-N 1 0 332.364 -1.698 20 0 EAADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000662735099 415356605 /nfs/dbraw/zinc/35/66/05/415356605.db2.gz AQOQGMWWAZDWNJ-IHRRRGAJSA-N 1 0 340.424 -1.601 20 0 EAADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000662735101 415357160 /nfs/dbraw/zinc/35/71/60/415357160.db2.gz AQOQGMWWAZDWNJ-MCIONIFRSA-N 1 0 340.424 -1.601 20 0 EAADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000662735103 415356997 /nfs/dbraw/zinc/35/69/97/415356997.db2.gz AQOQGMWWAZDWNJ-MJBXVCDLSA-N 1 0 340.424 -1.601 20 0 EAADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000662735105 415356778 /nfs/dbraw/zinc/35/67/78/415356778.db2.gz AQOQGMWWAZDWNJ-RDBSUJKOSA-N 1 0 340.424 -1.601 20 0 EAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662749388 415356361 /nfs/dbraw/zinc/35/63/61/415356361.db2.gz KTKHSIDCCFQVPV-FBIMIBRVSA-N 1 0 333.389 -1.015 20 0 EAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662749389 415355791 /nfs/dbraw/zinc/35/57/91/415355791.db2.gz KTKHSIDCCFQVPV-JMJZKYOTSA-N 1 0 333.389 -1.015 20 0 EAADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cn1C ZINC000662750127 415354032 /nfs/dbraw/zinc/35/40/32/415354032.db2.gz RSBFBHZKUGCKLA-NXEZZACHSA-N 1 0 333.389 -1.095 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1 ZINC000662777685 415356723 /nfs/dbraw/zinc/35/67/23/415356723.db2.gz WKEWKTCCXYWWRV-QJPTWQEYSA-N 1 0 332.426 -1.509 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1 ZINC000662777691 415355415 /nfs/dbraw/zinc/35/54/15/415355415.db2.gz WKEWKTCCXYWWRV-SDDRHHMPSA-N 1 0 332.426 -1.509 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1 ZINC000662777692 415354396 /nfs/dbraw/zinc/35/43/96/415354396.db2.gz WKEWKTCCXYWWRV-SRVKXCTJSA-N 1 0 332.426 -1.509 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1 ZINC000662777694 415357223 /nfs/dbraw/zinc/35/72/23/415357223.db2.gz WKEWKTCCXYWWRV-TUAOUCFPSA-N 1 0 332.426 -1.509 20 0 EAADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000662777710 415353916 /nfs/dbraw/zinc/35/39/16/415353916.db2.gz CFYJGMXHIPAXGV-CHWSQXEVSA-N 1 0 345.469 -1.592 20 0 EAADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000662777712 415356990 /nfs/dbraw/zinc/35/69/90/415356990.db2.gz CFYJGMXHIPAXGV-OLZOCXBDSA-N 1 0 345.469 -1.592 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000662777714 415355534 /nfs/dbraw/zinc/35/55/34/415355534.db2.gz CFYJGMXHIPAXGV-QWHCGFSZSA-N 1 0 345.469 -1.592 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000662777716 415356549 /nfs/dbraw/zinc/35/65/49/415356549.db2.gz CFYJGMXHIPAXGV-STQMWFEESA-N 1 0 345.469 -1.592 20 0 EAADRO COC[C@@]1(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCC[NH2+]1 ZINC000662779139 415353903 /nfs/dbraw/zinc/35/39/03/415353903.db2.gz KYYIPWBLCGBNQH-AAEUAGOBSA-N 1 0 334.442 -1.213 20 0 EAADRO COC[C@]1(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCC[NH2+]1 ZINC000662779156 415356004 /nfs/dbraw/zinc/35/60/04/415356004.db2.gz KYYIPWBLCGBNQH-DGCLKSJQSA-N 1 0 334.442 -1.213 20 0 EAADRO COC[C@]1(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCC[NH2+]1 ZINC000662779160 415355927 /nfs/dbraw/zinc/35/59/27/415355927.db2.gz KYYIPWBLCGBNQH-WCQYABFASA-N 1 0 334.442 -1.213 20 0 EAADRO COC[C@@]1(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCC[NH2+]1 ZINC000662779164 415355521 /nfs/dbraw/zinc/35/55/21/415355521.db2.gz KYYIPWBLCGBNQH-YPMHNXCESA-N 1 0 334.442 -1.213 20 0 EAADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000662780774 415356138 /nfs/dbraw/zinc/35/61/38/415356138.db2.gz SCZCRJVBRZLSOJ-CHWSQXEVSA-N 1 0 345.469 -1.592 20 0 EAADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000662780775 415354658 /nfs/dbraw/zinc/35/46/58/415354658.db2.gz SCZCRJVBRZLSOJ-OLZOCXBDSA-N 1 0 345.469 -1.592 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000662780776 415355966 /nfs/dbraw/zinc/35/59/66/415355966.db2.gz SCZCRJVBRZLSOJ-QWHCGFSZSA-N 1 0 345.469 -1.592 20 0 EAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000662780777 415354591 /nfs/dbraw/zinc/35/45/91/415354591.db2.gz SCZCRJVBRZLSOJ-STQMWFEESA-N 1 0 345.469 -1.592 20 0 EAADRO O=C(N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C1(O)C[NH2+]C1 ZINC000662791664 415355117 /nfs/dbraw/zinc/35/51/17/415355117.db2.gz KYFDIDVQGLEISC-UHFFFAOYSA-N 1 0 348.407 -1.704 20 0 EAADRO O=C(N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1(O)C[NH2+]C1 ZINC000662791865 414836590 /nfs/dbraw/zinc/83/65/90/414836590.db2.gz NIIWQTGSNDBNFG-LLVKDONJSA-N 1 0 333.410 -2.026 20 0 EAADRO O=C(N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1(O)C[NH2+]C1 ZINC000662791866 414837459 /nfs/dbraw/zinc/83/74/59/414837459.db2.gz NIIWQTGSNDBNFG-NSHDSACASA-N 1 0 333.410 -2.026 20 0 EAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(O)C[NH2+]C3)CC2)cn1C ZINC000662800632 415354486 /nfs/dbraw/zinc/35/44/86/415354486.db2.gz UJHJJUUZBZIACX-UHFFFAOYSA-N 1 0 343.409 -2.104 20 0 EAADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)C1(O)C[NH2+]C1 ZINC000662811064 415355710 /nfs/dbraw/zinc/35/57/10/415355710.db2.gz GKGKZFUHAZBPGM-UHFFFAOYSA-N 1 0 335.332 -1.306 20 0 EAADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000662816038 415356941 /nfs/dbraw/zinc/35/69/41/415356941.db2.gz KSGWPZWAKJLQCH-NEPJUHHUSA-N 1 0 332.426 -2.204 20 0 EAADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000662816039 415355366 /nfs/dbraw/zinc/35/53/66/415355366.db2.gz KSGWPZWAKJLQCH-NWDGAFQWSA-N 1 0 332.426 -2.204 20 0 EAADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000662816040 415354012 /nfs/dbraw/zinc/35/40/12/415354012.db2.gz KSGWPZWAKJLQCH-RYUDHWBXSA-N 1 0 332.426 -2.204 20 0 EAADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000662816042 415355017 /nfs/dbraw/zinc/35/50/17/415355017.db2.gz KSGWPZWAKJLQCH-VXGBXAGGSA-N 1 0 332.426 -2.204 20 0 EAADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000662816111 415354140 /nfs/dbraw/zinc/35/41/40/415354140.db2.gz MQLOTFIRILYQBQ-GFCCVEGCSA-N 1 0 330.454 -1.180 20 0 EAADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000662816114 415354950 /nfs/dbraw/zinc/35/49/50/415354950.db2.gz MQLOTFIRILYQBQ-LBPRGKRZSA-N 1 0 330.454 -1.180 20 0 EAADRO CCO[C@@H]1CN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000662829673 415357245 /nfs/dbraw/zinc/35/72/45/415357245.db2.gz PBTLEQVKJXLIOG-IJLUTSLNSA-N 1 0 334.442 -1.276 20 0 EAADRO CCO[C@@H]1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000662829677 415357178 /nfs/dbraw/zinc/35/71/78/415357178.db2.gz PBTLEQVKJXLIOG-QJPTWQEYSA-N 1 0 334.442 -1.276 20 0 EAADRO CN(CC(C)(C)[NH3+])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000662845180 414836408 /nfs/dbraw/zinc/83/64/08/414836408.db2.gz MKSSPFOBLQNWQX-UHFFFAOYSA-N 1 0 331.398 -1.412 20 0 EAADRO O=C(N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662849076 415356805 /nfs/dbraw/zinc/35/68/05/415356805.db2.gz AHMHQOXWYOWNKU-BETUJISGSA-N 1 0 329.356 -1.036 20 0 EAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC2([NH3+])CCCC2)c[nH]1 ZINC000662863895 415355198 /nfs/dbraw/zinc/35/51/98/415355198.db2.gz ZMKFXVMIAHFHOJ-UHFFFAOYSA-N 1 0 343.409 -1.220 20 0 EAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000662878990 415354322 /nfs/dbraw/zinc/35/43/22/415354322.db2.gz CVYBDWHGVVEGFE-PWSUYJOCSA-N 1 0 334.442 -1.422 20 0 EAADRO 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ZINC000754868102 583254432 /nfs/dbraw/zinc/25/44/32/583254432.db2.gz UAEXHNDNHRVTGF-CYBMUJFWSA-N 1 0 346.424 -1.007 20 0 EAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C(C)(CO)CO)C1 ZINC000754868103 583254340 /nfs/dbraw/zinc/25/43/40/583254340.db2.gz UAEXHNDNHRVTGF-ZDUSSCGKSA-N 1 0 346.424 -1.007 20 0 EAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](COC)C(N)=O)CC1=O ZINC000760075330 583260816 /nfs/dbraw/zinc/26/08/16/583260816.db2.gz GHSKEGPPIYGATP-JHJVBQTASA-N 1 0 340.424 -1.064 20 0 EAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](COC)C(N)=O)CC1=O ZINC000760075331 583260789 /nfs/dbraw/zinc/26/07/89/583260789.db2.gz GHSKEGPPIYGATP-UPJWGTAASA-N 1 0 340.424 -1.064 20 0 EAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](COC)C(N)=O)CC1=O ZINC000760075333 583260826 /nfs/dbraw/zinc/26/08/26/583260826.db2.gz GHSKEGPPIYGATP-XQQFMLRXSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](COC)C(N)=O)CC1=O ZINC000760075335 583260847 /nfs/dbraw/zinc/26/08/47/583260847.db2.gz GHSKEGPPIYGATP-YNEHKIRRSA-N 1 0 340.424 -1.064 20 0 EAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000760114174 583261331 /nfs/dbraw/zinc/26/13/31/583261331.db2.gz NUZMSSUNZZGJGN-IJLUTSLNSA-N 1 0 337.380 -1.205 20 0 EAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000760114181 583261269 /nfs/dbraw/zinc/26/12/69/583261269.db2.gz NUZMSSUNZZGJGN-QJPTWQEYSA-N 1 0 337.380 -1.205 20 0 EAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000760114184 583261313 /nfs/dbraw/zinc/26/13/13/583261313.db2.gz NUZMSSUNZZGJGN-TUAOUCFPSA-N 1 0 337.380 -1.205 20 0 EAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000760114189 583261183 /nfs/dbraw/zinc/26/11/83/583261183.db2.gz NUZMSSUNZZGJGN-UTUOFQBUSA-N 1 0 337.380 -1.205 20 0 EAADRO C[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000761071580 583262317 /nfs/dbraw/zinc/26/23/17/583262317.db2.gz QBVCNEJUVGQYEG-AWEZNQCLSA-N 1 0 325.457 -1.145 20 0 EAADRO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000761071581 583262269 /nfs/dbraw/zinc/26/22/69/583262269.db2.gz QBVCNEJUVGQYEG-CQSZACIVSA-N 1 0 325.457 -1.145 20 0 EAADRO COC(=O)CC(C)(C)[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000761204469 583262736 /nfs/dbraw/zinc/26/27/36/583262736.db2.gz ZOKXXMZRAFPMCA-UHFFFAOYSA-N 1 0 326.353 -1.220 20 0 EAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000762721487 583263809 /nfs/dbraw/zinc/26/38/09/583263809.db2.gz NKDZOUGEIFVFRV-AWEZNQCLSA-N 1 0 340.405 -1.333 20 0 EAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000762721488 583263833 /nfs/dbraw/zinc/26/38/33/583263833.db2.gz NKDZOUGEIFVFRV-CQSZACIVSA-N 1 0 340.405 -1.333 20 0 EAADRO C[NH+](C)C1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000763259426 583264368 /nfs/dbraw/zinc/26/43/68/583264368.db2.gz KAFAKOUZIIQGBZ-JTQLQIEISA-N 1 0 342.421 -1.076 20 0 EAADRO C[NH+](C)C1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000763259427 583264326 /nfs/dbraw/zinc/26/43/26/583264326.db2.gz KAFAKOUZIIQGBZ-SNVBAGLBSA-N 1 0 342.421 -1.076 20 0 EAADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764076180 583265001 /nfs/dbraw/zinc/26/50/01/583265001.db2.gz IUEIGMLGCBKIBZ-CYBMUJFWSA-N 1 0 346.453 -1.846 20 0 EAADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764076181 583265024 /nfs/dbraw/zinc/26/50/24/583265024.db2.gz IUEIGMLGCBKIBZ-ZDUSSCGKSA-N 1 0 346.453 -1.846 20 0 EAADRO CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764283056 583265513 /nfs/dbraw/zinc/26/55/13/583265513.db2.gz MQCANVDVOKNTEL-CYBMUJFWSA-N 1 0 338.408 -1.390 20 0 EAADRO CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764283059 583265603 /nfs/dbraw/zinc/26/56/03/583265603.db2.gz MQCANVDVOKNTEL-ZDUSSCGKSA-N 1 0 338.408 -1.390 20 0 EAADRO C[S@](=O)CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764342371 583265826 /nfs/dbraw/zinc/26/58/26/583265826.db2.gz YMTNSAXRDPXWPS-FPTDNZKUSA-N 1 0 328.482 -1.101 20 0 EAADRO C[S@@](=O)CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764342416 583265672 /nfs/dbraw/zinc/26/56/72/583265672.db2.gz YMTNSAXRDPXWPS-JLCFBVMHSA-N 1 0 328.482 -1.101 20 0 EAADRO C[S@](=O)CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764342419 583265796 /nfs/dbraw/zinc/26/57/96/583265796.db2.gz YMTNSAXRDPXWPS-PEBXRYMYSA-N 1 0 328.482 -1.101 20 0 EAADRO C[S@@](=O)CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764342421 583265566 /nfs/dbraw/zinc/26/55/66/583265566.db2.gz YMTNSAXRDPXWPS-RCDICMHDSA-N 1 0 328.482 -1.101 20 0 EAADRO CN1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000765282863 583266764 /nfs/dbraw/zinc/26/67/64/583266764.db2.gz JGZYRTMZXQIDSX-CYBMUJFWSA-N 1 0 325.413 -1.166 20 0 EAADRO CN1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000765282880 583266595 /nfs/dbraw/zinc/26/65/95/583266595.db2.gz JGZYRTMZXQIDSX-ZDUSSCGKSA-N 1 0 325.413 -1.166 20 0 EAADRO C[NH+]1CCN(CCCNC(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000765465944 583266671 /nfs/dbraw/zinc/26/66/71/583266671.db2.gz MTQTWXAAVJFPLB-UHFFFAOYSA-N 1 0 325.413 -1.289 20 0 EAADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000765485335 583267451 /nfs/dbraw/zinc/26/74/51/583267451.db2.gz STYBQXVCULHJBS-GFCCVEGCSA-N 1 0 325.413 -1.291 20 0 EAADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000765485342 583267415 /nfs/dbraw/zinc/26/74/15/583267415.db2.gz STYBQXVCULHJBS-LBPRGKRZSA-N 1 0 325.413 -1.291 20 0 EAADRO C[C@H](CNC(=O)C1=NN(CCO)C(=O)CC1)C[NH+]1CCN(C)CC1 ZINC000765490888 583267338 /nfs/dbraw/zinc/26/73/38/583267338.db2.gz FAJFBFRWUBWWIV-CYBMUJFWSA-N 1 0 339.440 -1.043 20 0 EAADRO C[C@@H](CNC(=O)C1=NN(CCO)C(=O)CC1)C[NH+]1CCN(C)CC1 ZINC000765490889 583267035 /nfs/dbraw/zinc/26/70/35/583267035.db2.gz FAJFBFRWUBWWIV-ZDUSSCGKSA-N 1 0 339.440 -1.043 20 0 EAADRO C[C@H](CNC(=O)C1=NN(CCO)C(=O)CC1)N1CC[NH+](C)CC1 ZINC000765491501 583267480 /nfs/dbraw/zinc/26/74/80/583267480.db2.gz JZPNUXQIIYZLGX-GFCCVEGCSA-N 1 0 325.413 -1.291 20 0 EAADRO C[C@@H](CNC(=O)C1=NN(CCO)C(=O)CC1)N1CC[NH+](C)CC1 ZINC000765491502 583267284 /nfs/dbraw/zinc/26/72/84/583267284.db2.gz JZPNUXQIIYZLGX-LBPRGKRZSA-N 1 0 325.413 -1.291 20 0 EAADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766841134 583268542 /nfs/dbraw/zinc/26/85/42/583268542.db2.gz OMUHLRXKSRELMD-GFCCVEGCSA-N 1 0 337.442 -1.028 20 0 EAADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766841143 583268313 /nfs/dbraw/zinc/26/83/13/583268313.db2.gz OMUHLRXKSRELMD-LBPRGKRZSA-N 1 0 337.442 -1.028 20 0 EAADRO CC[N@H+](CCO)CCNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000768909026 583271255 /nfs/dbraw/zinc/27/12/55/583271255.db2.gz FNTBUDBRQDGEGI-UHFFFAOYSA-N 1 0 337.442 -1.026 20 0 EAADRO O=C1OCCN1CCN1CC[N@H+](CCN2CCOC2=O)CC(O)C1 ZINC000769921285 583272506 /nfs/dbraw/zinc/27/25/06/583272506.db2.gz VQQFFCQPVJZHCV-UHFFFAOYSA-N 1 0 342.396 -1.131 20 0 EAADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000770173182 583272997 /nfs/dbraw/zinc/27/29/97/583272997.db2.gz NFJBBGUJVKKBOB-GFCCVEGCSA-N 1 0 337.424 -1.160 20 0 EAADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000770173183 583273011 /nfs/dbraw/zinc/27/30/11/583273011.db2.gz NFJBBGUJVKKBOB-LBPRGKRZSA-N 1 0 337.424 -1.160 20 0 EAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000770519759 583273511 /nfs/dbraw/zinc/27/35/11/583273511.db2.gz DPKLQGTWUIHZIT-GRYCIOLGSA-N 1 0 332.426 -1.078 20 0 EAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000770519762 583273730 /nfs/dbraw/zinc/27/37/30/583273730.db2.gz DPKLQGTWUIHZIT-IJLUTSLNSA-N 1 0 332.426 -1.078 20 0 EAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000770519764 583273797 /nfs/dbraw/zinc/27/37/97/583273797.db2.gz DPKLQGTWUIHZIT-QJPTWQEYSA-N 1 0 332.426 -1.078 20 0 EAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000770519766 583273869 /nfs/dbraw/zinc/27/38/69/583273869.db2.gz DPKLQGTWUIHZIT-SDDRHHMPSA-N 1 0 332.426 -1.078 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000771798056 583274624 /nfs/dbraw/zinc/27/46/24/583274624.db2.gz CWNZPVIFVVSRHW-AWEZNQCLSA-N 1 0 326.441 -1.031 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000771798058 583274732 /nfs/dbraw/zinc/27/47/32/583274732.db2.gz CWNZPVIFVVSRHW-CQSZACIVSA-N 1 0 326.441 -1.031 20 0 EAADRO Cn1cc(/C=C/C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(=O)n(C)c1=O ZINC000773527777 583276870 /nfs/dbraw/zinc/27/68/70/583276870.db2.gz GADBOSDQMSASCY-ISZGNANSSA-N 1 0 347.419 -1.397 20 0 EAADRO Cn1cc(/C=C/C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(=O)n(C)c1=O ZINC000773527779 583276814 /nfs/dbraw/zinc/27/68/14/583276814.db2.gz GADBOSDQMSASCY-NNTXTVRGSA-N 1 0 347.419 -1.397 20 0 EAADRO Cn1cc(/C=C\C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(=O)n(C)c1=O ZINC000773527780 583276651 /nfs/dbraw/zinc/27/66/51/583276651.db2.gz GADBOSDQMSASCY-WSNITJDQSA-N 1 0 347.419 -1.397 20 0 EAADRO Cn1cc(/C=C\C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(=O)n(C)c1=O ZINC000773527781 583276904 /nfs/dbraw/zinc/27/69/04/583276904.db2.gz GADBOSDQMSASCY-ZRUQZJFASA-N 1 0 347.419 -1.397 20 0 EAADRO COC(=O)N1CC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000774476137 583277867 /nfs/dbraw/zinc/27/78/67/583277867.db2.gz INRIUNQJXSCTMG-UHFFFAOYSA-N 1 0 338.368 -1.050 20 0 EAADRO Cn1c2ncn(CC[NH2+]C3(C(N)=O)CCCC3)c2c(=O)n(C)c1=O ZINC000777619472 583280832 /nfs/dbraw/zinc/28/08/32/583280832.db2.gz LINIGBLXGAGIHC-UHFFFAOYSA-N 1 0 334.380 -1.179 20 0 EAADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000780866799 583284918 /nfs/dbraw/zinc/28/49/18/583284918.db2.gz LXVKOGHZFXBZHM-JTQLQIEISA-N 1 0 330.410 -1.153 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000780866808 583284748 /nfs/dbraw/zinc/28/47/48/583284748.db2.gz LXVKOGHZFXBZHM-SNVBAGLBSA-N 1 0 330.410 -1.153 20 0 EAADRO Cn1cnn(CC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1=O ZINC000781264325 583285337 /nfs/dbraw/zinc/28/53/37/583285337.db2.gz OOMXAZPRUFLXHV-UHFFFAOYSA-N 1 0 337.380 -1.132 20 0 EAADRO O=C(NCCN1CCNC(=O)C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000781405267 583285655 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CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000781906028 583286215 /nfs/dbraw/zinc/28/62/15/583286215.db2.gz WQOHRXFMCGBWCU-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000781906029 583286284 /nfs/dbraw/zinc/28/62/84/583286284.db2.gz WQOHRXFMCGBWCU-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000781906031 583286311 /nfs/dbraw/zinc/28/63/11/583286311.db2.gz WQOHRXFMCGBWCU-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]1CCCCC1 ZINC000781962589 583286304 /nfs/dbraw/zinc/28/63/04/583286304.db2.gz OLFJXNXBAVLMBW-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO C[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCCCC1 ZINC000781962592 583286219 /nfs/dbraw/zinc/28/62/19/583286219.db2.gz OLFJXNXBAVLMBW-MNOVXSKESA-N 1 0 334.442 -1.230 20 0 EAADRO C[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCCCC1 ZINC000781962594 583286269 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CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[S@@](C)=O)C1 ZINC000785398706 583289762 /nfs/dbraw/zinc/28/97/62/583289762.db2.gz OBQNNJRCYHLOMD-AMXDTQDGSA-N 1 0 333.454 -1.046 20 0 EAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[S@](C)=O)C1 ZINC000785398712 583289899 /nfs/dbraw/zinc/28/98/99/583289899.db2.gz OBQNNJRCYHLOMD-IPQOISQHSA-N 1 0 333.454 -1.046 20 0 EAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[S@@](C)=O)C1 ZINC000785398714 583289863 /nfs/dbraw/zinc/28/98/63/583289863.db2.gz OBQNNJRCYHLOMD-VERVWZFWSA-N 1 0 333.454 -1.046 20 0 EAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[S@](C)=O)C1 ZINC000785398716 583290346 /nfs/dbraw/zinc/29/03/46/583290346.db2.gz OBQNNJRCYHLOMD-YTEVENLXSA-N 1 0 333.454 -1.046 20 0 EAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000785398860 583290397 /nfs/dbraw/zinc/29/03/97/583290397.db2.gz PFEJBPLAVIFFGP-GFCCVEGCSA-N 1 0 349.453 -1.380 20 0 EAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000785398868 583290433 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CC(=O)OCCCS(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000787920864 583293303 /nfs/dbraw/zinc/29/33/03/583293303.db2.gz YBDHVLSUNOMLIE-UHFFFAOYSA-N 1 0 335.426 -1.025 20 0 EAADRO NC(=O)C1=NO[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000788027067 583199696 /nfs/dbraw/zinc/19/96/96/583199696.db2.gz RWVSZWQSKZZJLU-NEPJUHHUSA-N 1 0 339.396 -1.020 20 0 EAADRO NC(=O)C1=NO[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000788027073 583199523 /nfs/dbraw/zinc/19/95/23/583199523.db2.gz RWVSZWQSKZZJLU-NWDGAFQWSA-N 1 0 339.396 -1.020 20 0 EAADRO NC(=O)C1=NO[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000788027074 583199687 /nfs/dbraw/zinc/19/96/87/583199687.db2.gz RWVSZWQSKZZJLU-RYUDHWBXSA-N 1 0 339.396 -1.020 20 0 EAADRO NC(=O)C1=NO[C@@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000788027075 583199464 /nfs/dbraw/zinc/19/94/64/583199464.db2.gz RWVSZWQSKZZJLU-VXGBXAGGSA-N 1 0 339.396 -1.020 20 0 EAADRO CS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000788392179 583294611 /nfs/dbraw/zinc/29/46/11/583294611.db2.gz QPFKXVAERIPACK-UHFFFAOYSA-N 1 0 340.405 -1.109 20 0 EAADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)C[C@H](C)O1 ZINC000788396224 583294467 /nfs/dbraw/zinc/29/44/67/583294467.db2.gz KQPSYHSGGVYFTP-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)C[C@H](C)O1 ZINC000788396229 583294421 /nfs/dbraw/zinc/29/44/21/583294421.db2.gz KQPSYHSGGVYFTP-TXEJJXNPSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)C[C@@H](C)O1 ZINC000788396234 583294440 /nfs/dbraw/zinc/29/44/40/583294440.db2.gz KQPSYHSGGVYFTP-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C ZINC000788911913 583294973 /nfs/dbraw/zinc/29/49/73/583294973.db2.gz ANRWXUVGIRTCTL-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000788911914 583294919 /nfs/dbraw/zinc/29/49/19/583294919.db2.gz ANRWXUVGIRTCTL-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000789914439 583295570 /nfs/dbraw/zinc/29/55/70/583295570.db2.gz NXUHPFFVOOPEKV-CHWSQXEVSA-N 1 0 329.397 -1.255 20 0 EAADRO COCCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000789914442 583295342 /nfs/dbraw/zinc/29/53/42/583295342.db2.gz NXUHPFFVOOPEKV-OLZOCXBDSA-N 1 0 329.397 -1.255 20 0 EAADRO COCCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000789914444 583295385 /nfs/dbraw/zinc/29/53/85/583295385.db2.gz NXUHPFFVOOPEKV-QWHCGFSZSA-N 1 0 329.397 -1.255 20 0 EAADRO COCCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000789914446 583295443 /nfs/dbraw/zinc/29/54/43/583295443.db2.gz NXUHPFFVOOPEKV-STQMWFEESA-N 1 0 329.397 -1.255 20 0 EAADRO COC[C@@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(N)=O ZINC000790045162 583295934 /nfs/dbraw/zinc/29/59/34/583295934.db2.gz YGCMAXFSUXBBSA-LLVKDONJSA-N 1 0 347.441 -1.160 20 0 EAADRO COC[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(N)=O ZINC000790045163 583296098 /nfs/dbraw/zinc/29/60/98/583296098.db2.gz YGCMAXFSUXBBSA-NSHDSACASA-N 1 0 347.441 -1.160 20 0 EAADRO C[NH+](C)CCCOC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000791969996 583297902 /nfs/dbraw/zinc/29/79/02/583297902.db2.gz HDVMDQKSWGFCIZ-UHFFFAOYSA-N 1 0 332.382 -1.113 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC000793699660 583299979 /nfs/dbraw/zinc/29/99/79/583299979.db2.gz AJCZLUHIWFITEJ-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC000793699662 583300121 /nfs/dbraw/zinc/30/01/21/583300121.db2.gz AJCZLUHIWFITEJ-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000793699664 583300247 /nfs/dbraw/zinc/30/02/47/583300247.db2.gz AJCZLUHIWFITEJ-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000793699667 583300217 /nfs/dbraw/zinc/30/02/17/583300217.db2.gz AJCZLUHIWFITEJ-STQMWFEESA-N 1 0 340.424 -1.050 20 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DRZODLZDFQOOPL-HNNXBMFYSA-N 1 0 326.397 -1.128 20 0 EAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC000819525419 583328903 /nfs/dbraw/zinc/32/89/03/583328903.db2.gz DRZODLZDFQOOPL-OAHLLOKOSA-N 1 0 326.397 -1.128 20 0 EAADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1=NN(CCO)C(=O)CC1 ZINC000819749416 583329484 /nfs/dbraw/zinc/32/94/84/583329484.db2.gz QWTGGZUFSYYOOP-GFCCVEGCSA-N 1 0 326.397 -1.080 20 0 EAADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1=NN(CCO)C(=O)CC1 ZINC000819749419 583329212 /nfs/dbraw/zinc/32/92/12/583329212.db2.gz QWTGGZUFSYYOOP-LBPRGKRZSA-N 1 0 326.397 -1.080 20 0 EAADRO C[NH+](C)C[C@@H](CO)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000819822772 583330036 /nfs/dbraw/zinc/33/00/36/583330036.db2.gz CRKYQQKLUMKOAJ-JTQLQIEISA-N 1 0 332.401 -1.334 20 0 EAADRO C[NH+](C)C[C@H](CO)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000819822781 583329678 /nfs/dbraw/zinc/32/96/78/583329678.db2.gz CRKYQQKLUMKOAJ-SNVBAGLBSA-N 1 0 332.401 -1.334 20 0 EAADRO CCN1CCN(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C(=O)C1=O 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347.437 -1.086 20 0 EAADRO CCN1C[C@H](C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)OC1=O ZINC000846824701 583399331 /nfs/dbraw/zinc/39/93/31/583399331.db2.gz CMRCDFKUQHJRCF-RWMBFGLXSA-N 1 0 347.437 -1.086 20 0 EAADRO CCN1C[C@H](C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)OC1=O ZINC000846824704 583399283 /nfs/dbraw/zinc/39/92/83/583399283.db2.gz CMRCDFKUQHJRCF-XQQFMLRXSA-N 1 0 347.437 -1.086 20 0 EAADRO CCN1C[C@H](C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)OC1=O ZINC000846824707 583399425 /nfs/dbraw/zinc/39/94/25/583399425.db2.gz CMRCDFKUQHJRCF-YNEHKIRRSA-N 1 0 347.437 -1.086 20 0 EAADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+]C(CO)CO)C2=O ZINC000846940919 583399431 /nfs/dbraw/zinc/39/94/31/583399431.db2.gz QIIXMZBKXMIBAA-UHFFFAOYSA-N 1 0 328.369 -1.539 20 0 EAADRO O=C(CC[NH2+]C(CO)CO)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846940965 583399257 /nfs/dbraw/zinc/39/92/57/583399257.db2.gz QYVCVLNWPDSYGU-UHFFFAOYSA-N 1 0 328.369 -1.395 20 0 EAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cn(C)c(=O)[nH]1 ZINC000847103999 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EAADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192292 583445402 /nfs/dbraw/zinc/44/54/02/583445402.db2.gz GFJHZOPQDFAMTN-XHDPSFHLSA-N 1 0 325.413 -1.216 20 0 EAADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192666 583445363 /nfs/dbraw/zinc/44/53/63/583445363.db2.gz ZGIUOGZNATZTPA-SMDDNHRTSA-N 1 0 331.438 -1.053 20 0 EAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000872193213 583445442 /nfs/dbraw/zinc/44/54/42/583445442.db2.gz RUSQKWPHEPTAJV-KPWVOAKYSA-N 1 0 331.442 -1.067 20 0 EAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000872193214 583445491 /nfs/dbraw/zinc/44/54/91/583445491.db2.gz RUSQKWPHEPTAJV-RKFFSXRUSA-N 1 0 331.442 -1.067 20 0 EAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000872193215 583445300 /nfs/dbraw/zinc/44/53/00/583445300.db2.gz RUSQKWPHEPTAJV-SAHAZLINSA-N 1 0 331.442 -1.067 20 0 EAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000872193216 583445495 /nfs/dbraw/zinc/44/54/95/583445495.db2.gz RUSQKWPHEPTAJV-XFNZEKPQSA-N 1 0 331.442 -1.067 20 0 EAADRO CN(C(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1)C1CC[NH2+]CC1 ZINC000872193671 583445488 /nfs/dbraw/zinc/44/54/88/583445488.db2.gz AZTLJJYNHCHOBO-JOCHJYFZSA-N 1 0 331.442 -1.067 20 0 EAADRO CN(C(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1)C1CC[NH2+]CC1 ZINC000872193672 583445284 /nfs/dbraw/zinc/44/52/84/583445284.db2.gz AZTLJJYNHCHOBO-QFIPXVFZSA-N 1 0 331.442 -1.067 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000872193819 583445423 /nfs/dbraw/zinc/44/54/23/583445423.db2.gz CFHVNPXYYFLWIW-NFULHVNHSA-N 1 0 329.426 -1.600 20 0 EAADRO C[S@@](=N)(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000872193823 583445445 /nfs/dbraw/zinc/44/54/45/583445445.db2.gz CFHVNPXYYFLWIW-UTSGRSJNSA-N 1 0 329.426 -1.600 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000872193871 583445437 /nfs/dbraw/zinc/44/54/37/583445437.db2.gz CKTAHNPCSVFNFW-AQXOFRPNSA-N 1 0 343.453 -1.067 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000872193872 583445269 /nfs/dbraw/zinc/44/52/69/583445269.db2.gz CKTAHNPCSVFNFW-HDODXQBNSA-N 1 0 343.453 -1.067 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000872193873 583445666 /nfs/dbraw/zinc/44/56/66/583445666.db2.gz CKTAHNPCSVFNFW-VXEWELBQSA-N 1 0 343.453 -1.067 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000872193874 583445670 /nfs/dbraw/zinc/44/56/70/583445670.db2.gz CKTAHNPCSVFNFW-YCDSQXFLSA-N 1 0 343.453 -1.067 20 0 EAADRO C[S@@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000872193929 583445686 /nfs/dbraw/zinc/44/56/86/583445686.db2.gz CYPZLVFPRXPXEZ-FATZIPQQSA-N 1 0 343.453 -1.066 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000872193935 583445826 /nfs/dbraw/zinc/44/58/26/583445826.db2.gz CYPZLVFPRXPXEZ-LFVRLGFBSA-N 1 0 343.453 -1.066 20 0 EAADRO C[S@@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000872193940 583445869 /nfs/dbraw/zinc/44/58/69/583445869.db2.gz CYPZLVFPRXPXEZ-PSLXWICFSA-N 1 0 343.453 -1.066 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000872193942 583445874 /nfs/dbraw/zinc/44/58/74/583445874.db2.gz CYPZLVFPRXPXEZ-QKFKETGDSA-N 1 0 343.453 -1.066 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)[C@@H](C)C[NH2+]1 ZINC000872193963 583445830 /nfs/dbraw/zinc/44/58/30/583445830.db2.gz DKYJFKBEKKYFIT-AUWXTCHYSA-N 1 0 331.442 -1.069 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)[C@@H](C)C[NH2+]1 ZINC000872193964 583445677 /nfs/dbraw/zinc/44/56/77/583445677.db2.gz DKYJFKBEKKYFIT-NFULHVNHSA-N 1 0 331.442 -1.069 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)[C@H](C)C[NH2+]1 ZINC000872193965 583445883 /nfs/dbraw/zinc/44/58/83/583445883.db2.gz DKYJFKBEKKYFIT-RUYXUOGBSA-N 1 0 331.442 -1.069 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)[C@H](C)C[NH2+]1 ZINC000872193966 583445771 /nfs/dbraw/zinc/44/57/71/583445771.db2.gz DKYJFKBEKKYFIT-XJUBTRFSSA-N 1 0 331.442 -1.069 20 0 EAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)C1 ZINC000872194220 583445784 /nfs/dbraw/zinc/44/57/84/583445784.db2.gz GKGHIKLUHDQGKH-KPWVOAKYSA-N 1 0 331.442 -1.210 20 0 EAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)C1 ZINC000872194221 583445862 /nfs/dbraw/zinc/44/58/62/583445862.db2.gz GKGHIKLUHDQGKH-RKFFSXRUSA-N 1 0 331.442 -1.210 20 0 EAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)C1 ZINC000872194222 583445811 /nfs/dbraw/zinc/44/58/11/583445811.db2.gz GKGHIKLUHDQGKH-SAHAZLINSA-N 1 0 331.442 -1.210 20 0 EAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)C1 ZINC000872194223 583445780 /nfs/dbraw/zinc/44/57/80/583445780.db2.gz GKGHIKLUHDQGKH-XFNZEKPQSA-N 1 0 331.442 -1.210 20 0 EAADRO C[S@@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000872194244 583445721 /nfs/dbraw/zinc/44/57/21/583445721.db2.gz GMWCGONJFBLTEX-AUWXTCHYSA-N 1 0 329.426 -1.458 20 0 EAADRO C[S@](=N)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000872194249 583445808 /nfs/dbraw/zinc/44/58/08/583445808.db2.gz GMWCGONJFBLTEX-NFULHVNHSA-N 1 0 329.426 -1.458 20 0 EAADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1)C2 ZINC000872194399 583445742 /nfs/dbraw/zinc/44/57/42/583445742.db2.gz HZNHTIZSAUIXOL-RPNIEQJPSA-N 1 0 343.453 -1.210 20 0 EAADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1)C2 ZINC000872194400 583445891 /nfs/dbraw/zinc/44/58/91/583445891.db2.gz HZNHTIZSAUIXOL-SGUZOCSZSA-N 1 0 343.453 -1.210 20 0 EAADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN(CCO)C(C)(C)C1)C2 ZINC000872194731 583445837 /nfs/dbraw/zinc/44/58/37/583445837.db2.gz KHWAZIXCRKIFHD-SUMWQHHRSA-N 1 0 338.452 -1.031 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC(=O)N1 ZINC000872194959 583445794 /nfs/dbraw/zinc/44/57/94/583445794.db2.gz MAGJIDXRRNLZQP-HLTSFMKQSA-N 1 0 336.314 -1.071 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC(=O)N1 ZINC000872194960 583445850 /nfs/dbraw/zinc/44/58/50/583445850.db2.gz MAGJIDXRRNLZQP-HRDYMLBCSA-N 1 0 336.314 -1.071 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC(=O)N1 ZINC000872194962 583445866 /nfs/dbraw/zinc/44/58/66/583445866.db2.gz MAGJIDXRRNLZQP-IWSPIJDZSA-N 1 0 336.314 -1.071 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC(=O)N1 ZINC000872194965 583445733 /nfs/dbraw/zinc/44/57/33/583445733.db2.gz MAGJIDXRRNLZQP-VGMNWLOBSA-N 1 0 336.314 -1.071 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[C@H](C)N1CCO ZINC000872195339 583445755 /nfs/dbraw/zinc/44/57/55/583445755.db2.gz OWCVZELYXCSHRH-QDEZUTFSSA-N 1 0 338.452 -1.032 20 0 EAADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN(c3nccnn3)CC1)C2 ZINC000872195374 583445656 /nfs/dbraw/zinc/44/56/56/583445656.db2.gz KCWUQTXRWGHZQR-BLLLJJGKSA-N 1 0 345.407 -1.412 20 0 EAADRO CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1=O ZINC000872195737 583445815 /nfs/dbraw/zinc/44/58/15/583445815.db2.gz NIVHMZPAZDRQGS-BDAKNGLRSA-N 1 0 336.314 -1.117 20 0 EAADRO CN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1=O ZINC000872195738 583445895 /nfs/dbraw/zinc/44/58/95/583445895.db2.gz NIVHMZPAZDRQGS-DTWKUNHWSA-N 1 0 336.314 -1.117 20 0 EAADRO CN1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1=O ZINC000872195739 583445673 /nfs/dbraw/zinc/44/56/73/583445673.db2.gz NIVHMZPAZDRQGS-IUCAKERBSA-N 1 0 336.314 -1.117 20 0 EAADRO CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1=O ZINC000872195740 583445672 /nfs/dbraw/zinc/44/56/72/583445672.db2.gz NIVHMZPAZDRQGS-RKDXNWHRSA-N 1 0 336.314 -1.117 20 0 EAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)C1 ZINC000872195834 583445751 /nfs/dbraw/zinc/44/57/51/583445751.db2.gz RXJULTVWFCHGBD-KPWVOAKYSA-N 1 0 331.442 -1.067 20 0 EAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)C1 ZINC000872195835 583445703 /nfs/dbraw/zinc/44/57/03/583445703.db2.gz RXJULTVWFCHGBD-RKFFSXRUSA-N 1 0 331.442 -1.067 20 0 EAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)C1 ZINC000872195836 583445695 /nfs/dbraw/zinc/44/56/95/583445695.db2.gz RXJULTVWFCHGBD-SAHAZLINSA-N 1 0 331.442 -1.067 20 0 EAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)C1 ZINC000872195837 583445804 /nfs/dbraw/zinc/44/58/04/583445804.db2.gz RXJULTVWFCHGBD-XFNZEKPQSA-N 1 0 331.442 -1.067 20 0 EAADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN([C@H]3CCOC3)CC1)C2 ZINC000872195932 583445745 /nfs/dbraw/zinc/44/57/45/583445745.db2.gz NDQNWANFNJNLKH-GRDNDAEWSA-N 1 0 336.436 -1.013 20 0 EAADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN([C@@H]3CCOC3)CC1)C2 ZINC000872195935 583445855 /nfs/dbraw/zinc/44/58/55/583445855.db2.gz NDQNWANFNJNLKH-JJRVBVJISA-N 1 0 336.436 -1.013 20 0 EAADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC(CO)(CO)CC1 ZINC000872196803 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COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000905018841 669325528 /nfs/dbraw/zinc/32/55/28/669325528.db2.gz ZAYKXDUWJBIGAE-NSHDSACASA-N 1 0 348.425 -2.463 20 0 EAADRO CCOCCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000905018895 669325857 /nfs/dbraw/zinc/32/58/57/669325857.db2.gz ZOJJZKNZGBEXMK-AWEZNQCLSA-N 1 0 342.440 -1.386 20 0 EAADRO CCOCCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000905018897 669325731 /nfs/dbraw/zinc/32/57/31/669325731.db2.gz ZOJJZKNZGBEXMK-CQSZACIVSA-N 1 0 342.440 -1.386 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CO)(OC)CC1 ZINC000905020908 669327618 /nfs/dbraw/zinc/32/76/18/669327618.db2.gz ASQXVDYTLDKNMF-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CO)(OC)CC1 ZINC000905020909 669327405 /nfs/dbraw/zinc/32/74/05/669327405.db2.gz ASQXVDYTLDKNMF-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000905020953 669327649 /nfs/dbraw/zinc/32/76/49/669327649.db2.gz BKMJBUXYVBCFRS-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000905020954 669327691 /nfs/dbraw/zinc/32/76/91/669327691.db2.gz BKMJBUXYVBCFRS-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000905021053 669327436 /nfs/dbraw/zinc/32/74/36/669327436.db2.gz CXJAVCVWFHWHGV-QWHCGFSZSA-N 1 0 328.413 -2.042 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000905021054 669327348 /nfs/dbraw/zinc/32/73/48/669327348.db2.gz CXJAVCVWFHWHGV-STQMWFEESA-N 1 0 328.413 -2.042 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000905021099 669327629 /nfs/dbraw/zinc/32/76/29/669327629.db2.gz DNZVGIPTPZLDHE-CHWSQXEVSA-N 1 0 348.407 -1.064 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000905021100 669327667 /nfs/dbraw/zinc/32/76/67/669327667.db2.gz DNZVGIPTPZLDHE-OLZOCXBDSA-N 1 0 348.407 -1.064 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000905021101 669327382 /nfs/dbraw/zinc/32/73/82/669327382.db2.gz DNZVGIPTPZLDHE-QWHCGFSZSA-N 1 0 348.407 -1.064 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000905021102 669327631 /nfs/dbraw/zinc/32/76/31/669327631.db2.gz DNZVGIPTPZLDHE-STQMWFEESA-N 1 0 348.407 -1.064 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(O)(COC)CC1 ZINC000905021130 669327740 /nfs/dbraw/zinc/32/77/40/669327740.db2.gz FMTIDOWWNRLNEQ-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(O)(COC)CC1 ZINC000905021131 669327675 /nfs/dbraw/zinc/32/76/75/669327675.db2.gz FMTIDOWWNRLNEQ-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C[C@@H](C)O1 ZINC000905021196 669327685 /nfs/dbraw/zinc/32/76/85/669327685.db2.gz GMHYHPVNPYOTGY-AGIUHOORSA-N 1 0 329.397 -1.305 20 0 EAADRO COC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C[C@H](C)O1 ZINC000905021197 669327636 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EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000905021258 669327644 /nfs/dbraw/zinc/32/76/44/669327644.db2.gz HZURALODBSZYQB-IAQYHMDHSA-N 1 0 327.381 -1.155 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1 ZINC000905021259 669327624 /nfs/dbraw/zinc/32/76/24/669327624.db2.gz HZURALODBSZYQB-NHYWBVRUSA-N 1 0 327.381 -1.155 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000905021260 669327361 /nfs/dbraw/zinc/32/73/61/669327361.db2.gz HZURALODBSZYQB-XHDPSFHLSA-N 1 0 327.381 -1.155 20 0 EAADRO CCOCCOCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000905021281 669327265 /nfs/dbraw/zinc/32/72/65/669327265.db2.gz IHPXVKZNWTWLAF-CYBMUJFWSA-N 1 0 331.413 -1.055 20 0 EAADRO CCOCCOCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000905021282 669327318 /nfs/dbraw/zinc/32/73/18/669327318.db2.gz IHPXVKZNWTWLAF-ZDUSSCGKSA-N 1 0 331.413 -1.055 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000905021295 669327757 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EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000905021428 669327431 /nfs/dbraw/zinc/32/74/31/669327431.db2.gz KYMSWQXGQOOYCB-QWHCGFSZSA-N 1 0 336.396 -1.112 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000905021429 669327325 /nfs/dbraw/zinc/32/73/25/669327325.db2.gz KYMSWQXGQOOYCB-STQMWFEESA-N 1 0 336.396 -1.112 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCCO)CC1 ZINC000905021493 669327288 /nfs/dbraw/zinc/32/72/88/669327288.db2.gz MATXNVDWUHFFQH-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCCO)CC1 ZINC000905021494 669327502 /nfs/dbraw/zinc/32/75/02/669327502.db2.gz MATXNVDWUHFFQH-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000905021862 669327596 /nfs/dbraw/zinc/32/75/96/669327596.db2.gz OQAHPIFEVOWMFO-CHWSQXEVSA-N 1 0 326.397 -2.024 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000905021875 669327511 /nfs/dbraw/zinc/32/75/11/669327511.db2.gz OQAHPIFEVOWMFO-OLZOCXBDSA-N 1 0 326.397 -2.024 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000905021876 669327464 /nfs/dbraw/zinc/32/74/64/669327464.db2.gz OQAHPIFEVOWMFO-QWHCGFSZSA-N 1 0 326.397 -2.024 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000905021877 669327733 /nfs/dbraw/zinc/32/77/33/669327733.db2.gz OQAHPIFEVOWMFO-STQMWFEESA-N 1 0 326.397 -2.024 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000905022368 669327748 /nfs/dbraw/zinc/32/77/48/669327748.db2.gz QKOUHUZTOZPZSL-CHWSQXEVSA-N 1 0 336.396 -1.427 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000905022369 669327681 /nfs/dbraw/zinc/32/76/81/669327681.db2.gz QKOUHUZTOZPZSL-OLZOCXBDSA-N 1 0 336.396 -1.427 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000905022370 669327558 /nfs/dbraw/zinc/32/75/58/669327558.db2.gz QKOUHUZTOZPZSL-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000905022371 669327393 /nfs/dbraw/zinc/32/73/93/669327393.db2.gz QKOUHUZTOZPZSL-STQMWFEESA-N 1 0 336.396 -1.427 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000905022397 669327232 /nfs/dbraw/zinc/32/72/32/669327232.db2.gz QXJNXXMVQNZQBV-BXKDBHETSA-N 1 0 339.314 -1.041 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000905022398 669327521 /nfs/dbraw/zinc/32/75/21/669327521.db2.gz QXJNXXMVQNZQBV-CABZTGNLSA-N 1 0 339.314 -1.041 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000905022399 669327310 /nfs/dbraw/zinc/32/73/10/669327310.db2.gz QXJNXXMVQNZQBV-JOYOIKCWSA-N 1 0 339.314 -1.041 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000905022400 669327548 /nfs/dbraw/zinc/32/75/48/669327548.db2.gz QXJNXXMVQNZQBV-SKDRFNHKSA-N 1 0 339.314 -1.041 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1COC)[C@H]1CCCOC1 ZINC000905022423 669327372 /nfs/dbraw/zinc/32/73/72/669327372.db2.gz REAKOHMIHXTYBM-IHRRRGAJSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC)[C@@H]1CCCOC1 ZINC000905022437 669327534 /nfs/dbraw/zinc/32/75/34/669327534.db2.gz REAKOHMIHXTYBM-MCIONIFRSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC)[C@H]1CCCOC1 ZINC000905022438 669328585 /nfs/dbraw/zinc/32/85/85/669328585.db2.gz REAKOHMIHXTYBM-MJBXVCDLSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1COC)[C@@H]1CCCOC1 ZINC000905022439 669328399 /nfs/dbraw/zinc/32/83/99/669328399.db2.gz REAKOHMIHXTYBM-RDBSUJKOSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000905022484 669328305 /nfs/dbraw/zinc/32/83/05/669328305.db2.gz RNOKXGNYLDWWDS-HZSPNIEDSA-N 1 0 342.440 -1.653 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000905022486 669328454 /nfs/dbraw/zinc/32/84/54/669328454.db2.gz RNOKXGNYLDWWDS-MJBXVCDLSA-N 1 0 342.440 -1.653 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000905022506 669328096 /nfs/dbraw/zinc/32/80/96/669328096.db2.gz RUMRBXIXYMUQGL-BFHYXJOUSA-N 1 0 341.408 -1.160 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000905022515 669328615 /nfs/dbraw/zinc/32/86/15/669328615.db2.gz RUMRBXIXYMUQGL-IHRRRGAJSA-N 1 0 341.408 -1.160 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000905022516 669328405 /nfs/dbraw/zinc/32/84/05/669328405.db2.gz RUMRBXIXYMUQGL-MELADBBJSA-N 1 0 341.408 -1.160 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000905022517 669328610 /nfs/dbraw/zinc/32/86/10/669328610.db2.gz RUMRBXIXYMUQGL-MJBXVCDLSA-N 1 0 341.408 -1.160 20 0 EAADRO COCCCOCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000905022989 669328495 /nfs/dbraw/zinc/32/84/95/669328495.db2.gz SALKDPPPEUPRTR-CYBMUJFWSA-N 1 0 331.413 -1.055 20 0 EAADRO COCCCOCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000905022990 669328297 /nfs/dbraw/zinc/32/82/97/669328297.db2.gz SALKDPPPEUPRTR-ZDUSSCGKSA-N 1 0 331.413 -1.055 20 0 EAADRO COCCOC[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905023075 669328575 /nfs/dbraw/zinc/32/85/75/669328575.db2.gz SYJNVMSZCXJDAL-KBPBESRZSA-N 1 0 343.424 -1.055 20 0 EAADRO COCCOC[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905023077 669328274 /nfs/dbraw/zinc/32/82/74/669328274.db2.gz SYJNVMSZCXJDAL-KGLIPLIRSA-N 1 0 343.424 -1.055 20 0 EAADRO COCCOC[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905023079 669328371 /nfs/dbraw/zinc/32/83/71/669328371.db2.gz SYJNVMSZCXJDAL-UONOGXRCSA-N 1 0 343.424 -1.055 20 0 EAADRO COCCOC[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905023081 669328553 /nfs/dbraw/zinc/32/85/53/669328553.db2.gz SYJNVMSZCXJDAL-ZIAGYGMSSA-N 1 0 343.424 -1.055 20 0 EAADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905024310 669328229 /nfs/dbraw/zinc/32/82/29/669328229.db2.gz WCMMISLSUCCYHU-ABAIWWIYSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905024411 669328020 /nfs/dbraw/zinc/32/80/20/669328020.db2.gz WCMMISLSUCCYHU-IAQYHMDHSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905024412 669328112 /nfs/dbraw/zinc/32/81/12/669328112.db2.gz WCMMISLSUCCYHU-NHYWBVRUSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905024413 669328508 /nfs/dbraw/zinc/32/85/08/669328508.db2.gz WCMMISLSUCCYHU-XHDPSFHLSA-N 1 0 326.397 -1.582 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000905024984 669328605 /nfs/dbraw/zinc/32/86/05/669328605.db2.gz XUZLJVRVKIGHPR-CYBMUJFWSA-N 1 0 340.424 -1.240 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000905024985 669328185 /nfs/dbraw/zinc/32/81/85/669328185.db2.gz XUZLJVRVKIGHPR-ZDUSSCGKSA-N 1 0 340.424 -1.240 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](CO)(COC)C1 ZINC000905025038 669328521 /nfs/dbraw/zinc/32/85/21/669328521.db2.gz YGSXZRLJNYAAHV-DOMZBBRYSA-N 1 0 329.397 -1.709 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](CO)(COC)C1 ZINC000905025041 669328364 /nfs/dbraw/zinc/32/83/64/669328364.db2.gz YGSXZRLJNYAAHV-IUODEOHRSA-N 1 0 329.397 -1.709 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](CO)(COC)C1 ZINC000905025045 669328599 /nfs/dbraw/zinc/32/85/99/669328599.db2.gz YGSXZRLJNYAAHV-SWLSCSKDSA-N 1 0 329.397 -1.709 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](CO)(COC)C1 ZINC000905025048 669328347 /nfs/dbraw/zinc/32/83/47/669328347.db2.gz YGSXZRLJNYAAHV-WFASDCNBSA-N 1 0 329.397 -1.709 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000905025141 669328621 /nfs/dbraw/zinc/32/86/21/669328621.db2.gz YXLVFBDASCAOHX-LLVKDONJSA-N 1 0 329.401 -1.837 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000905025162 669328243 /nfs/dbraw/zinc/32/82/43/669328243.db2.gz YXLVFBDASCAOHX-NSHDSACASA-N 1 0 329.401 -1.837 20 0 EAADRO CNC(=O)CC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000905025165 669328475 /nfs/dbraw/zinc/32/84/75/669328475.db2.gz YXWBDBBGTXBQNP-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)CC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000905025168 669328530 /nfs/dbraw/zinc/32/85/30/669328530.db2.gz YXWBDBBGTXBQNP-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905068795 669328322 /nfs/dbraw/zinc/32/83/22/669328322.db2.gz RBXLOAVCVAOKPG-CYBMUJFWSA-N 1 0 335.470 -1.181 20 0 EAADRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905068796 669328380 /nfs/dbraw/zinc/32/83/80/669328380.db2.gz RBXLOAVCVAOKPG-ZDUSSCGKSA-N 1 0 335.470 -1.181 20 0 EAADRO CN(C)C(=O)CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000905297046 669328390 /nfs/dbraw/zinc/32/83/90/669328390.db2.gz XUCYXSFHGADQML-UHFFFAOYSA-N 1 0 325.457 -1.288 20 0 EAADRO O=C(CNS(=O)(=O)CCCN1CCOCC1)N1CC[NH2+]CC1 ZINC000905328587 669328252 /nfs/dbraw/zinc/32/82/52/669328252.db2.gz 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PTCZXKNPIXOVHM-FRRDWIJNSA-N 1 0 337.424 -1.724 20 0 EAADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911149897 669405631 /nfs/dbraw/zinc/40/56/31/669405631.db2.gz PTCZXKNPIXOVHM-YNEHKIRRSA-N 1 0 337.424 -1.724 20 0 EAADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911150283 669405490 /nfs/dbraw/zinc/40/54/90/669405490.db2.gz XBCGYDMNXYTSEF-GFCCVEGCSA-N 1 0 339.440 -1.538 20 0 EAADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911150284 669405372 /nfs/dbraw/zinc/40/53/72/669405372.db2.gz XBCGYDMNXYTSEF-LBPRGKRZSA-N 1 0 339.440 -1.538 20 0 EAADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911150442 669405707 /nfs/dbraw/zinc/40/57/07/669405707.db2.gz YHNMKCYUMIDUEW-GFCCVEGCSA-N 1 0 339.440 -1.619 20 0 EAADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911150443 669405666 /nfs/dbraw/zinc/40/56/66/669405666.db2.gz YHNMKCYUMIDUEW-LBPRGKRZSA-N 1 0 339.440 -1.619 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000911157969 669405293 /nfs/dbraw/zinc/40/52/93/669405293.db2.gz XNENZBOLURPENR-LLVKDONJSA-N 1 0 328.413 -1.288 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000911157971 669405191 /nfs/dbraw/zinc/40/51/91/669405191.db2.gz XNENZBOLURPENR-NSHDSACASA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911160892 669405245 /nfs/dbraw/zinc/40/52/45/669405245.db2.gz GGJQBGFMMDMANS-CYBMUJFWSA-N 1 0 341.456 -1.637 20 0 EAADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911160893 669405687 /nfs/dbraw/zinc/40/56/87/669405687.db2.gz GGJQBGFMMDMANS-ZDUSSCGKSA-N 1 0 341.456 -1.637 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000911161026 669405434 /nfs/dbraw/zinc/40/54/34/669405434.db2.gz DNMIDLGRKJZHDY-AGIUHOORSA-N 1 0 328.413 -1.732 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000911161027 669405642 /nfs/dbraw/zinc/40/56/42/669405642.db2.gz DNMIDLGRKJZHDY-AVGNSLFASA-N 1 0 328.413 -1.732 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000911161028 669406304 /nfs/dbraw/zinc/40/63/04/669406304.db2.gz DNMIDLGRKJZHDY-FRRDWIJNSA-N 1 0 328.413 -1.732 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000911161029 669406220 /nfs/dbraw/zinc/40/62/20/669406220.db2.gz DNMIDLGRKJZHDY-RWMBFGLXSA-N 1 0 328.413 -1.732 20 0 EAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000911161922 669406374 /nfs/dbraw/zinc/40/63/74/669406374.db2.gz MOIXJLAAJGTTDU-BFHYXJOUSA-N 1 0 342.440 -1.341 20 0 EAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000911161923 669406347 /nfs/dbraw/zinc/40/63/47/669406347.db2.gz MOIXJLAAJGTTDU-MCIONIFRSA-N 1 0 342.440 -1.341 20 0 EAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000911161924 669406027 /nfs/dbraw/zinc/40/60/27/669406027.db2.gz MOIXJLAAJGTTDU-MGPQQGTHSA-N 1 0 342.440 -1.341 20 0 EAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000911161925 669406273 /nfs/dbraw/zinc/40/62/73/669406273.db2.gz MOIXJLAAJGTTDU-MJBXVCDLSA-N 1 0 342.440 -1.341 20 0 EAADRO C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@H]1CN(C)CCO1 ZINC000911162592 669406091 /nfs/dbraw/zinc/40/60/91/669406091.db2.gz QPNTXCMIEFVXBV-GXTWGEPZSA-N 1 0 341.456 -1.639 20 0 EAADRO C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@@H]1CN(C)CCO1 ZINC000911162593 669406112 /nfs/dbraw/zinc/40/61/12/669406112.db2.gz QPNTXCMIEFVXBV-JSGCOSHPSA-N 1 0 341.456 -1.639 20 0 EAADRO C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@@H]1CN(C)CCO1 ZINC000911162594 669406311 /nfs/dbraw/zinc/40/63/11/669406311.db2.gz QPNTXCMIEFVXBV-OCCSQVGLSA-N 1 0 341.456 -1.639 20 0 EAADRO C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@H]1CN(C)CCO1 ZINC000911162595 669406194 /nfs/dbraw/zinc/40/61/94/669406194.db2.gz QPNTXCMIEFVXBV-TZMCWYRMSA-N 1 0 341.456 -1.639 20 0 EAADRO COC[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1CCCO1 ZINC000911163067 669406263 /nfs/dbraw/zinc/40/62/63/669406263.db2.gz BTQYPVLKXVCHPM-CHWSQXEVSA-N 1 0 328.413 -1.682 20 0 EAADRO COC[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000911163069 669406050 /nfs/dbraw/zinc/40/60/50/669406050.db2.gz BTQYPVLKXVCHPM-OLZOCXBDSA-N 1 0 328.413 -1.682 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1CCCO1 ZINC000911163071 669405989 /nfs/dbraw/zinc/40/59/89/669405989.db2.gz BTQYPVLKXVCHPM-QWHCGFSZSA-N 1 0 328.413 -1.682 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000911163073 669406341 /nfs/dbraw/zinc/40/63/41/669406341.db2.gz BTQYPVLKXVCHPM-STQMWFEESA-N 1 0 328.413 -1.682 20 0 EAADRO C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1CN(C)CCO1 ZINC000911163890 669406331 /nfs/dbraw/zinc/40/63/31/669406331.db2.gz ZLOFCUALEOPXEA-CHWSQXEVSA-N 1 0 327.429 -2.157 20 0 EAADRO C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1CN(C)CCO1 ZINC000911163891 669406125 /nfs/dbraw/zinc/40/61/25/669406125.db2.gz ZLOFCUALEOPXEA-OLZOCXBDSA-N 1 0 327.429 -2.157 20 0 EAADRO C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1CN(C)CCO1 ZINC000911163892 669406251 /nfs/dbraw/zinc/40/62/51/669406251.db2.gz ZLOFCUALEOPXEA-QWHCGFSZSA-N 1 0 327.429 -2.157 20 0 EAADRO C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1CN(C)CCO1 ZINC000911163893 669406322 /nfs/dbraw/zinc/40/63/22/669406322.db2.gz ZLOFCUALEOPXEA-STQMWFEESA-N 1 0 327.429 -2.157 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC)[C@@H]1CCCO1 ZINC000911167828 669407173 /nfs/dbraw/zinc/40/71/73/669407173.db2.gz WXDKXLLBRUKAAE-AGIUHOORSA-N 1 0 329.397 -1.257 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1COC)[C@@H]1CCCO1 ZINC000911167830 669406989 /nfs/dbraw/zinc/40/69/89/669406989.db2.gz WXDKXLLBRUKAAE-AVGNSLFASA-N 1 0 329.397 -1.257 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC)[C@H]1CCCO1 ZINC000911167831 669407087 /nfs/dbraw/zinc/40/70/87/669407087.db2.gz WXDKXLLBRUKAAE-FRRDWIJNSA-N 1 0 329.397 -1.257 20 0 EAADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1COC)[C@H]1CCCO1 ZINC000911167833 669407022 /nfs/dbraw/zinc/40/70/22/669407022.db2.gz WXDKXLLBRUKAAE-RWMBFGLXSA-N 1 0 329.397 -1.257 20 0 EAADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911169002 669406770 /nfs/dbraw/zinc/40/67/70/669406770.db2.gz FUZBYOQLAXMGLZ-CYBMUJFWSA-N 1 0 327.429 -2.155 20 0 EAADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911169006 669407131 /nfs/dbraw/zinc/40/71/31/669407131.db2.gz FUZBYOQLAXMGLZ-ZDUSSCGKSA-N 1 0 327.429 -2.155 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000911170066 669407121 /nfs/dbraw/zinc/40/71/21/669407121.db2.gz MPMUDEBYYJEKAF-CHWSQXEVSA-N 1 0 328.413 -1.730 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000911170067 669407016 /nfs/dbraw/zinc/40/70/16/669407016.db2.gz MPMUDEBYYJEKAF-OLZOCXBDSA-N 1 0 328.413 -1.730 20 0 EAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000911170068 669407042 /nfs/dbraw/zinc/40/70/42/669407042.db2.gz MPMUDEBYYJEKAF-QWHCGFSZSA-N 1 0 328.413 -1.730 20 0 EAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000911170069 669406795 /nfs/dbraw/zinc/40/67/95/669406795.db2.gz MPMUDEBYYJEKAF-STQMWFEESA-N 1 0 328.413 -1.730 20 0 EAADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911170582 669406886 /nfs/dbraw/zinc/40/68/86/669406886.db2.gz UQQJIEQYSUCIPN-CYBMUJFWSA-N 1 0 342.440 -1.210 20 0 EAADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911170583 669407186 /nfs/dbraw/zinc/40/71/86/669407186.db2.gz UQQJIEQYSUCIPN-ZDUSSCGKSA-N 1 0 342.440 -1.210 20 0 EAADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000911170605 669407077 /nfs/dbraw/zinc/40/70/77/669407077.db2.gz UWSYFBHWQMYEDL-KBPBESRZSA-N 1 0 342.440 -1.340 20 0 EAADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000911170606 669406970 /nfs/dbraw/zinc/40/69/70/669406970.db2.gz UWSYFBHWQMYEDL-KGLIPLIRSA-N 1 0 342.440 -1.340 20 0 EAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000911170607 669407162 /nfs/dbraw/zinc/40/71/62/669407162.db2.gz UWSYFBHWQMYEDL-UONOGXRCSA-N 1 0 342.440 -1.340 20 0 EAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000911170608 669406856 /nfs/dbraw/zinc/40/68/56/669406856.db2.gz UWSYFBHWQMYEDL-ZIAGYGMSSA-N 1 0 342.440 -1.340 20 0 EAADRO CN(CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)CC(F)(F)F ZINC000911171358 669407909 /nfs/dbraw/zinc/40/79/09/669407909.db2.gz HFJPNFRSWQVGFX-UHFFFAOYSA-N 1 0 339.362 -1.382 20 0 EAADRO CN(CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)CC(F)(F)F ZINC000911173503 669407730 /nfs/dbraw/zinc/40/77/30/669407730.db2.gz ZDMDNMUMQKTKTE-GFCCVEGCSA-N 1 0 340.346 -1.091 20 0 EAADRO CN(CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)CC(F)(F)F ZINC000911173504 669407957 /nfs/dbraw/zinc/40/79/57/669407957.db2.gz ZDMDNMUMQKTKTE-LBPRGKRZSA-N 1 0 340.346 -1.091 20 0 EAADRO C[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)CC1(C)OCCO1 ZINC000911174549 669407865 /nfs/dbraw/zinc/40/78/65/669407865.db2.gz DJXWEXPAGMECRB-CYBMUJFWSA-N 1 0 342.440 -1.087 20 0 EAADRO C[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)CC1(C)OCCO1 ZINC000911174550 669407848 /nfs/dbraw/zinc/40/78/48/669407848.db2.gz DJXWEXPAGMECRB-ZDUSSCGKSA-N 1 0 342.440 -1.087 20 0 EAADRO C[NH2+]CCN(C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(C)C ZINC000911182741 669406299 /nfs/dbraw/zinc/40/62/99/669406299.db2.gz GGBRQQIIQGYTLE-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911185822 669406753 /nfs/dbraw/zinc/40/67/53/669406753.db2.gz JODWLMGNAGBFST-CYBMUJFWSA-N 1 0 327.429 -1.460 20 0 EAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911185823 669407038 /nfs/dbraw/zinc/40/70/38/669407038.db2.gz JODWLMGNAGBFST-ZDUSSCGKSA-N 1 0 327.429 -1.460 20 0 EAADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CNOC1 ZINC000911229784 669411260 /nfs/dbraw/zinc/41/12/60/669411260.db2.gz NCAMNFCOWWALAB-GFCCVEGCSA-N 1 0 326.397 -1.233 20 0 EAADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CNOC1 ZINC000911229787 669410833 /nfs/dbraw/zinc/41/08/33/669410833.db2.gz 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SXOPROOWJPFSTQ-KGLIPLIRSA-N 1 0 340.424 -1.634 20 0 EAADRO COC[C@@H]1COCCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000926446647 670110249 /nfs/dbraw/zinc/11/02/49/670110249.db2.gz SXOPROOWJPFSTQ-UONOGXRCSA-N 1 0 340.424 -1.634 20 0 EAADRO COC[C@@H]1COCCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000926446648 670110150 /nfs/dbraw/zinc/11/01/50/670110150.db2.gz SXOPROOWJPFSTQ-ZIAGYGMSSA-N 1 0 340.424 -1.634 20 0 EAADRO COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)C(=O)N(C)CC[NH3+])O1 ZINC000926446785 668415343 /nfs/dbraw/zinc/41/53/43/668415343.db2.gz JSJLOHLAAFGGFH-AVGNSLFASA-N 1 0 329.397 -1.175 20 0 EAADRO COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)C(=O)N(C)CC[NH3+])O1 ZINC000926446786 668415335 /nfs/dbraw/zinc/41/53/35/668415335.db2.gz JSJLOHLAAFGGFH-RWMBFGLXSA-N 1 0 329.397 -1.175 20 0 EAADRO COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)C(=O)N(C)CC[NH3+])O1 ZINC000926446787 668415603 /nfs/dbraw/zinc/41/56/03/668415603.db2.gz JSJLOHLAAFGGFH-XQQFMLRXSA-N 1 0 329.397 -1.175 20 0 EAADRO 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-1.747 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000937980970 669117081 /nfs/dbraw/zinc/11/70/81/669117081.db2.gz ZFZVPDAJJBMFLV-VWYCJHECSA-N 1 0 337.380 -1.747 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000937981735 669116628 /nfs/dbraw/zinc/11/66/28/669116628.db2.gz AJCINUQOFHEHJF-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000937981736 669116616 /nfs/dbraw/zinc/11/66/16/669116616.db2.gz AJCINUQOFHEHJF-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000937981738 669116464 /nfs/dbraw/zinc/11/64/64/669116464.db2.gz AJUPMMNBBHMTLO-ZDUSSCGKSA-N 1 0 338.408 -1.342 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000937981891 669116639 /nfs/dbraw/zinc/11/66/39/669116639.db2.gz ICZZEZAUAQADBZ-NSHDSACASA-N 1 0 337.380 -1.649 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000937981931 669116720 /nfs/dbraw/zinc/11/67/20/669116720.db2.gz FVEOZLTUWMQFAT-NSHDSACASA-N 1 0 349.395 -1.810 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000937982285 669116433 /nfs/dbraw/zinc/11/64/33/669116433.db2.gz NGEJFZLBUUEHRR-LBPRGKRZSA-N 1 0 329.422 -1.156 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000937982325 669116815 /nfs/dbraw/zinc/11/68/15/669116815.db2.gz KQEUTHAMVWQIHT-NWDGAFQWSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000937982326 669116586 /nfs/dbraw/zinc/11/65/86/669116586.db2.gz KQEUTHAMVWQIHT-RYUDHWBXSA-N 1 0 344.437 -1.509 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c(=O)[nH]c1=O ZINC000937982345 669116911 /nfs/dbraw/zinc/11/69/11/669116911.db2.gz LHYOIEHLDGTTRE-NSHDSACASA-N 1 0 349.391 -1.088 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC000937982417 669116651 /nfs/dbraw/zinc/11/66/51/669116651.db2.gz NOGNEWFAXACJSR-NSHDSACASA-N 1 0 349.395 -1.810 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000937982914 669116676 /nfs/dbraw/zinc/11/66/76/669116676.db2.gz VNZXMIHMZXISPO-LBPRGKRZSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000937982992 669116956 /nfs/dbraw/zinc/11/69/56/669116956.db2.gz URDIEUPNBJTJTN-LBPRGKRZSA-N 1 0 349.391 -1.238 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000937983045 669116841 /nfs/dbraw/zinc/11/68/41/669116841.db2.gz XDEAUFWPEQAWQH-QWRGUYRKSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000937983725 669116566 /nfs/dbraw/zinc/11/65/66/669116566.db2.gz GXKOPFWNRNKALP-NSHDSACASA-N 1 0 337.380 -1.649 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000937983773 669116502 /nfs/dbraw/zinc/11/65/02/669116502.db2.gz JAKUDRXMKUWDOJ-RWMBFGLXSA-N 1 0 338.408 -1.168 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000937983784 669116856 /nfs/dbraw/zinc/11/68/56/669116856.db2.gz JJJDOVKDJSFJPK-ZDUSSCGKSA-N 1 0 337.424 -1.769 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000937983792 669117056 /nfs/dbraw/zinc/11/70/56/669117056.db2.gz JQDHZQQWACQEJS-LBPRGKRZSA-N 1 0 336.392 -1.052 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1=O ZINC000937984422 669116995 /nfs/dbraw/zinc/11/69/95/669116995.db2.gz POQPAIDEBCDEOM-LBPRGKRZSA-N 1 0 336.396 -1.605 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000937984850 669116661 /nfs/dbraw/zinc/11/66/61/669116661.db2.gz UFVAGBDZHRURLC-QWRGUYRKSA-N 1 0 337.380 -1.603 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1=O ZINC000937984891 669116880 /nfs/dbraw/zinc/11/68/80/669116880.db2.gz VXPWPAHAHBLYEF-NSHDSACASA-N 1 0 349.391 -1.088 20 0 EAADRO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)[NH+](C)C ZINC000937995393 669120180 /nfs/dbraw/zinc/12/01/80/669120180.db2.gz PGMILVYOKGFJGG-QJPTWQEYSA-N 1 0 346.453 -1.265 20 0 EAADRO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)[NH+](C)C ZINC000937995394 669120153 /nfs/dbraw/zinc/12/01/53/669120153.db2.gz PGMILVYOKGFJGG-SDDRHHMPSA-N 1 0 346.453 -1.265 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000937996553 669120838 /nfs/dbraw/zinc/12/08/38/669120838.db2.gz ZHIDYNHOJCBNFI-QJPTWQEYSA-N 1 0 344.437 -1.511 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000937996562 669120720 /nfs/dbraw/zinc/12/07/20/669120720.db2.gz ZHIDYNHOJCBNFI-SDDRHHMPSA-N 1 0 344.437 -1.511 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)[NH+](C)C ZINC000937997476 669120702 /nfs/dbraw/zinc/12/07/02/669120702.db2.gz PGMILVYOKGFJGG-SRVKXCTJSA-N 1 0 346.453 -1.265 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)[NH+](C)C ZINC000937997478 669120684 /nfs/dbraw/zinc/12/06/84/669120684.db2.gz PGMILVYOKGFJGG-TUAOUCFPSA-N 1 0 346.453 -1.265 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000937997964 669118757 /nfs/dbraw/zinc/11/87/57/669118757.db2.gz ZFDZHPWNOJBXLE-NWDGAFQWSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000937997965 669118736 /nfs/dbraw/zinc/11/87/36/669118736.db2.gz ZFDZHPWNOJBXLE-RYUDHWBXSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938000544 669122992 /nfs/dbraw/zinc/12/29/92/669122992.db2.gz FHPRFKWIPCNZCS-QWHCGFSZSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938000650 669122965 /nfs/dbraw/zinc/12/29/65/669122965.db2.gz FHPRFKWIPCNZCS-STQMWFEESA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000938001263 669123479 /nfs/dbraw/zinc/12/34/79/669123479.db2.gz POIDMQVTRIQOSI-WFASDCNBSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938005438 669121317 /nfs/dbraw/zinc/12/13/17/669121317.db2.gz NMRAEFBJKOQWGT-QWHCGFSZSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938005440 669121331 /nfs/dbraw/zinc/12/13/31/669121331.db2.gz NMRAEFBJKOQWGT-STQMWFEESA-N 1 0 333.396 -1.268 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000938005614 669121251 /nfs/dbraw/zinc/12/12/51/669121251.db2.gz CIOGJYNEQAGUKN-NWDGAFQWSA-N 1 0 329.422 -1.158 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000938005615 669121304 /nfs/dbraw/zinc/12/13/04/669121304.db2.gz CIOGJYNEQAGUKN-RYUDHWBXSA-N 1 0 329.422 -1.158 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938007311 669121877 /nfs/dbraw/zinc/12/18/77/669121877.db2.gz GYDNAYXZQNSXGU-QWHCGFSZSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938007318 669121986 /nfs/dbraw/zinc/12/19/86/669121986.db2.gz GYDNAYXZQNSXGU-STQMWFEESA-N 1 0 333.396 -1.268 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000938007832 669121902 /nfs/dbraw/zinc/12/19/02/669121902.db2.gz LNUFHDNXOBSSIX-NWDGAFQWSA-N 1 0 333.396 -1.117 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000938007834 669121794 /nfs/dbraw/zinc/12/17/94/669121794.db2.gz LNUFHDNXOBSSIX-RYUDHWBXSA-N 1 0 333.396 -1.117 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000938008058 669121948 /nfs/dbraw/zinc/12/19/48/669121948.db2.gz BDLJMTLKXAQOAM-LBPRGKRZSA-N 1 0 329.422 -1.156 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC000938008737 669121976 /nfs/dbraw/zinc/12/19/76/669121976.db2.gz HUSZSRQKGNWDHQ-JQWIXIFHSA-N 1 0 329.422 -1.300 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC000938008738 669121910 /nfs/dbraw/zinc/12/19/10/669121910.db2.gz HUSZSRQKGNWDHQ-PWSUYJOCSA-N 1 0 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C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000940528251 669160766 /nfs/dbraw/zinc/16/07/66/669160766.db2.gz KDOJZRNHGVKYQD-QWHCGFSZSA-N 1 0 337.424 -1.913 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC000940528443 669160708 /nfs/dbraw/zinc/16/07/08/669160708.db2.gz MQIHAJJNSIUHAT-GHMZBOCLSA-N 1 0 349.395 -1.954 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC000940528449 669160604 /nfs/dbraw/zinc/16/06/04/669160604.db2.gz MQIHAJJNSIUHAT-WDEREUQCSA-N 1 0 349.395 -1.954 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000940528697 669160872 /nfs/dbraw/zinc/16/08/72/669160872.db2.gz POLCQRNGUFXHKE-GHMZBOCLSA-N 1 0 349.395 -1.954 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000940528698 669160810 /nfs/dbraw/zinc/16/08/10/669160810.db2.gz POLCQRNGUFXHKE-WDEREUQCSA-N 1 0 349.395 -1.954 20 0 EAADRO 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ZINC000941567609 669283611 /nfs/dbraw/zinc/28/36/11/669283611.db2.gz YNNLUWHFHJUUHT-DZGCQCFKSA-N 1 0 337.468 -1.242 20 0 EAADRO CNC(=O)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567610 669283594 /nfs/dbraw/zinc/28/35/94/669283594.db2.gz YNNLUWHFHJUUHT-HIFRSBDPSA-N 1 0 337.468 -1.242 20 0 EAADRO CNC(=O)CN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567611 669283438 /nfs/dbraw/zinc/28/34/38/669283438.db2.gz YNNLUWHFHJUUHT-UKRRQHHQSA-N 1 0 337.468 -1.242 20 0 EAADRO CNC(=O)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567612 669283367 /nfs/dbraw/zinc/28/33/67/669283367.db2.gz YNNLUWHFHJUUHT-ZFWWWQNUSA-N 1 0 337.468 -1.242 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941568199 669283462 /nfs/dbraw/zinc/28/34/62/669283462.db2.gz BSOBMDUEZUXLDV-CABCVRRESA-N 1 0 338.452 -1.079 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000941568259 669283151 /nfs/dbraw/zinc/28/31/51/669283151.db2.gz FFYJEIOWOQXOIA-LLVKDONJSA-N 1 0 335.408 -1.064 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000941568260 669283169 /nfs/dbraw/zinc/28/31/69/669283169.db2.gz FFYJEIOWOQXOIA-NSHDSACASA-N 1 0 335.408 -1.064 20 0 EAADRO Cn1ncc(CCC(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)n1 ZINC000941568309 669283530 /nfs/dbraw/zinc/28/35/30/669283530.db2.gz HLDVLNDIGGTDHF-UHFFFAOYSA-N 1 0 336.440 -1.042 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000941568394 669284024 /nfs/dbraw/zinc/28/40/24/669284024.db2.gz KYWRDKIMMJCSLV-CFVMTHIKSA-N 1 0 336.436 -1.027 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000941568395 669284148 /nfs/dbraw/zinc/28/41/48/669284148.db2.gz KYWRDKIMMJCSLV-YUELXQCFSA-N 1 0 336.436 -1.027 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000941568696 669284243 /nfs/dbraw/zinc/28/42/43/669284243.db2.gz ZSKKHSFHROFCKH-CYBMUJFWSA-N 1 0 336.440 -1.043 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000941568697 669284127 /nfs/dbraw/zinc/28/41/27/669284127.db2.gz ZSKKHSFHROFCKH-ZDUSSCGKSA-N 1 0 336.440 -1.043 20 0 EAADRO CC[C@@H](C(=O)N1CCN(C2CN(CC(=O)NC)C2)CC1)[NH+](C)C ZINC000941570978 669284726 /nfs/dbraw/zinc/28/47/26/669284726.db2.gz HSUOWCXQWVUBMK-AWEZNQCLSA-N 1 0 325.457 -1.099 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)[nH]1 ZINC000941571408 669284671 /nfs/dbraw/zinc/28/46/71/669284671.db2.gz VWDSDYLRPUXDCZ-UHFFFAOYSA-N 1 0 335.408 -1.062 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC000941586805 669289340 /nfs/dbraw/zinc/28/93/40/669289340.db2.gz ANFOKNIVSXEIDC-JQWIXIFHSA-N 1 0 339.396 -2.206 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC000941586806 669289456 /nfs/dbraw/zinc/28/94/56/669289456.db2.gz ANFOKNIVSXEIDC-PWSUYJOCSA-N 1 0 339.396 -2.206 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941586829 669289466 /nfs/dbraw/zinc/28/94/66/669289466.db2.gz BUEHFCMGGTYSMM-LBPRGKRZSA-N 1 0 339.396 -2.205 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941586870 669289314 /nfs/dbraw/zinc/28/93/14/669289314.db2.gz DOCOAZVVLRTLHL-LBPRGKRZSA-N 1 0 341.387 -1.228 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941587562 669289101 /nfs/dbraw/zinc/28/91/01/669289101.db2.gz SODHIDMUUSDFTG-ZDUSSCGKSA-N 1 0 335.408 -1.177 20 0 EAADRO CC(C)[NH+]1CC(N2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 ZINC000941591926 669287486 /nfs/dbraw/zinc/28/74/86/669287486.db2.gz DFZGJCSMQCCFIB-UHFFFAOYSA-N 1 0 349.435 -1.066 20 0 EAADRO CC[NH+]1CC(N2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 ZINC000941593066 669287443 /nfs/dbraw/zinc/28/74/43/669287443.db2.gz NDHXLGRCIYWNBL-UHFFFAOYSA-N 1 0 335.408 -1.454 20 0 EAADRO CC[NH+]1CC(N2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)C1 ZINC000941593894 669287534 /nfs/dbraw/zinc/28/75/34/669287534.db2.gz WZWQTIXQRRDHPR-UHFFFAOYSA-N 1 0 337.380 -1.745 20 0 EAADRO CC[NH+]1CC(N2CCN(C(=O)Cn3ncn4nccc4c3=O)CC2)C1 ZINC000941593936 669287501 /nfs/dbraw/zinc/28/75/01/669287501.db2.gz YDJBILBVASPAFP-UHFFFAOYSA-N 1 0 345.407 -1.261 20 0 EAADRO CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 ZINC000941593959 669287513 /nfs/dbraw/zinc/28/75/13/669287513.db2.gz ZCICMVGXPWHTCJ-UHFFFAOYSA-N 1 0 349.435 -1.064 20 0 EAADRO CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)CC2)C1 ZINC000941603761 669290565 /nfs/dbraw/zinc/29/05/65/669290565.db2.gz OCZCWPYZQVKTKK-CYBMUJFWSA-N 1 0 330.454 -1.131 20 0 EAADRO CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)CC2)C1 ZINC000941603763 669290548 /nfs/dbraw/zinc/29/05/48/669290548.db2.gz OCZCWPYZQVKTKK-ZDUSSCGKSA-N 1 0 330.454 -1.131 20 0 EAADRO CC[NH+]1CC(N2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)CC2)C1 ZINC000941604115 669290491 /nfs/dbraw/zinc/29/04/91/669290491.db2.gz TVHOVIHOJWPGHL-UHFFFAOYSA-N 1 0 335.408 -1.177 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 ZINC000941605349 669291307 /nfs/dbraw/zinc/29/13/07/669291307.db2.gz CWWASFRFJJSZBX-LLVKDONJSA-N 1 0 338.408 -1.752 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 ZINC000941605350 669291541 /nfs/dbraw/zinc/29/15/41/669291541.db2.gz CWWASFRFJJSZBX-NSHDSACASA-N 1 0 338.408 -1.752 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941605390 669291430 /nfs/dbraw/zinc/29/14/30/669291430.db2.gz FOMYWBMJLLALBQ-UHFFFAOYSA-N 1 0 338.408 -1.750 20 0 EAADRO CC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)CC2)C1 ZINC000941605553 669291291 /nfs/dbraw/zinc/29/12/91/669291291.db2.gz NPGZJRKSQLIASC-UHFFFAOYSA-N 1 0 335.408 -1.225 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC000941606803 669291400 /nfs/dbraw/zinc/29/14/00/669291400.db2.gz AICPNEHCCUPDJD-LLVKDONJSA-N 1 0 339.396 -2.253 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC000941606804 669291514 /nfs/dbraw/zinc/29/15/14/669291514.db2.gz AICPNEHCCUPDJD-NSHDSACASA-N 1 0 339.396 -2.253 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941607139 669291267 /nfs/dbraw/zinc/29/12/67/669291267.db2.gz IPOGWYYKHLLVRA-UHFFFAOYSA-N 1 0 339.396 -2.251 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000941607213 669291247 /nfs/dbraw/zinc/29/12/47/669291247.db2.gz LBMGYQQMEWFJJA-HNNXBMFYSA-N 1 0 340.468 -1.082 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000941607216 669291276 /nfs/dbraw/zinc/29/12/76/669291276.db2.gz LBMGYQQMEWFJJA-OAHLLOKOSA-N 1 0 340.468 -1.082 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941607427 669291455 /nfs/dbraw/zinc/29/14/55/669291455.db2.gz NYIKNYMMHQAPNX-UHFFFAOYSA-N 1 0 335.408 -1.223 20 0 EAADRO O=C(CCN1CCOCC1)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941607479 669291100 /nfs/dbraw/zinc/29/11/00/669291100.db2.gz OZNNFPBJFIFZQM-UHFFFAOYSA-N 1 0 340.468 -1.081 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941607819 669292189 /nfs/dbraw/zinc/29/21/89/669292189.db2.gz WYUXEADVUUICTO-UHFFFAOYSA-N 1 0 341.387 -1.274 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC000941610841 669291935 /nfs/dbraw/zinc/29/19/35/669291935.db2.gz AAIJWVFNBLFIJB-GFCCVEGCSA-N 1 0 345.407 -1.053 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC000941610842 669292101 /nfs/dbraw/zinc/29/21/01/669292101.db2.gz AAIJWVFNBLFIJB-LBPRGKRZSA-N 1 0 345.407 -1.053 20 0 EAADRO O=C(c1nc2ncccn2n1)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941610901 669292010 /nfs/dbraw/zinc/29/20/10/669292010.db2.gz CJWUYLGHZAUXNR-UHFFFAOYSA-N 1 0 345.407 -1.051 20 0 EAADRO CO[C@H](C)C[NH+]1CC(N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000941614515 669292626 /nfs/dbraw/zinc/29/26/26/669292626.db2.gz AMJSORZNZMRKPC-CYBMUJFWSA-N 1 0 337.428 -1.074 20 0 EAADRO CO[C@@H](C)C[NH+]1CC(N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000941614516 669292816 /nfs/dbraw/zinc/29/28/16/669292816.db2.gz AMJSORZNZMRKPC-ZDUSSCGKSA-N 1 0 337.428 -1.074 20 0 EAADRO COC[C@@H](C)[NH+]1CC(N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000941614771 669292874 /nfs/dbraw/zinc/29/28/74/669292874.db2.gz KPEBVXYLUKWNSM-CYBMUJFWSA-N 1 0 337.428 -1.074 20 0 EAADRO COC[C@H](C)[NH+]1CC(N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000941614772 669292703 /nfs/dbraw/zinc/29/27/03/669292703.db2.gz KPEBVXYLUKWNSM-ZDUSSCGKSA-N 1 0 337.428 -1.074 20 0 EAADRO O=C(CCn1cnnn1)N1CCN(C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000941615032 669292754 /nfs/dbraw/zinc/29/27/54/669292754.db2.gz OGCSNJZARWRSCT-AWEZNQCLSA-N 1 0 349.439 -1.072 20 0 EAADRO O=C(CCn1cnnn1)N1CCN(C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000941615033 669292492 /nfs/dbraw/zinc/29/24/92/669292492.db2.gz OGCSNJZARWRSCT-CQSZACIVSA-N 1 0 349.439 -1.072 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)c1 ZINC000941620370 669296387 /nfs/dbraw/zinc/29/63/87/669296387.db2.gz FBRDDXCIAXQBPV-UHFFFAOYSA-N 1 0 335.408 -1.062 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000941620505 669296077 /nfs/dbraw/zinc/29/60/77/669296077.db2.gz JNIWBICCJJJJPO-LLVKDONJSA-N 1 0 335.408 -1.064 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000941620669 669296028 /nfs/dbraw/zinc/29/60/28/669296028.db2.gz JNIWBICCJJJJPO-NSHDSACASA-N 1 0 335.408 -1.064 20 0 EAADRO C[C@H](O)C[NH+]1CC(N2CCN(C(=O)CCn3cnccc3=O)CC2)C1 ZINC000941620771 669296421 /nfs/dbraw/zinc/29/64/21/669296421.db2.gz NSCXBJOTLIVUDP-AWEZNQCLSA-N 1 0 349.435 -1.157 20 0 EAADRO C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)CCn3cnccc3=O)CC2)C1 ZINC000941620773 669295993 /nfs/dbraw/zinc/29/59/93/669295993.db2.gz NSCXBJOTLIVUDP-CQSZACIVSA-N 1 0 349.435 -1.157 20 0 EAADRO O=C(CCn1cnccc1=O)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941620990 669296481 /nfs/dbraw/zinc/29/64/81/669296481.db2.gz RLGXWSFCCPTRLG-UHFFFAOYSA-N 1 0 349.435 -1.156 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCN(C3CN(CCO)C3)CC2)CC1 ZINC000941622550 669296179 /nfs/dbraw/zinc/29/61/79/669296179.db2.gz IXOWAJCFYYXJIG-UHFFFAOYSA-N 1 0 340.468 -1.082 20 0 EAADRO CNC(=O)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636659 669295507 /nfs/dbraw/zinc/29/55/07/669295507.db2.gz SAFNTUINPNRECF-AWEZNQCLSA-N 1 0 337.468 -1.097 20 0 EAADRO CNC(=O)CN1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636660 669295398 /nfs/dbraw/zinc/29/53/98/669295398.db2.gz SAFNTUINPNRECF-CQSZACIVSA-N 1 0 337.468 -1.097 20 0 EAADRO CNC(=O)CN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941639812 669296330 /nfs/dbraw/zinc/29/63/30/669296330.db2.gz ZEVZRWCPZDOHNC-UHFFFAOYSA-N 1 0 335.452 -1.343 20 0 EAADRO CN(C)C(=O)CN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640778 669294034 /nfs/dbraw/zinc/29/40/34/669294034.db2.gz BALMSRFOWZRBRG-UHFFFAOYSA-N 1 0 349.479 -1.001 20 0 EAADRO O=C(N1CCN(C2CN([C@H]3CCNC3=O)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941640898 669296337 /nfs/dbraw/zinc/29/63/37/669296337.db2.gz IILQSSPJYINPFD-HNNXBMFYSA-N 1 0 347.463 -1.201 20 0 EAADRO O=C(N1CCN(C2CN([C@@H]3CCNC3=O)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941640899 669296204 /nfs/dbraw/zinc/29/62/04/669296204.db2.gz IILQSSPJYINPFD-OAHLLOKOSA-N 1 0 347.463 -1.201 20 0 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669333428 /nfs/dbraw/zinc/33/34/28/669333428.db2.gz DUPWCNUNIFMQGF-CHWSQXEVSA-N 1 0 348.407 -1.284 20 0 EAADRO CO[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NC(=O)Cn1nccn1 ZINC000941938627 669333383 /nfs/dbraw/zinc/33/33/83/669333383.db2.gz PGXSNQJCAMPPMZ-GHMZBOCLSA-N 1 0 333.352 -1.414 20 0 EAADRO CO[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1NC(=O)Cn1nccn1 ZINC000941939026 669333347 /nfs/dbraw/zinc/33/33/47/669333347.db2.gz XYDFQBIOJIJJDE-CHWSQXEVSA-N 1 0 347.379 -1.404 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000941939128 669334108 /nfs/dbraw/zinc/33/41/08/669334108.db2.gz ACVVXBPTEJABHI-DOMZBBRYSA-N 1 0 333.396 -1.124 20 0 EAADRO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)Cn1nccn1 ZINC000941940986 669331984 /nfs/dbraw/zinc/33/19/84/669331984.db2.gz GFUKAPDKHMBEFP-JHJVBQTASA-N 1 0 336.396 -1.428 20 0 EAADRO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)Cn1nccn1 ZINC000941940987 669331976 /nfs/dbraw/zinc/33/19/76/669331976.db2.gz GFUKAPDKHMBEFP-YNEHKIRRSA-N 1 0 336.396 -1.428 20 0 EAADRO CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)Cn1nccn1 ZINC000941940993 669331911 /nfs/dbraw/zinc/33/19/11/669331911.db2.gz GIKRPUZAAQLZKL-CHWSQXEVSA-N 1 0 336.396 -1.284 20 0 EAADRO CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)Cn1nccn1 ZINC000941941352 669332176 /nfs/dbraw/zinc/33/21/76/669332176.db2.gz OWQLNRYSNRZQBK-JHJVBQTASA-N 1 0 336.396 -1.286 20 0 EAADRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)Cn1nccn1 ZINC000941943320 669332653 /nfs/dbraw/zinc/33/26/53/669332653.db2.gz OWQLNRYSNRZQBK-FRRDWIJNSA-N 1 0 336.396 -1.286 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000941943875 669333535 /nfs/dbraw/zinc/33/35/35/669333535.db2.gz KPEOCFZFDMZTJL-DOMZBBRYSA-N 1 0 333.396 -1.124 20 0 EAADRO C[C@@H]1CN(CCS(C)(=O)=O)CC[C@H]1NC(=O)CN1CN=NC1=O ZINC000941960804 669333863 /nfs/dbraw/zinc/33/38/63/669333863.db2.gz YLFAJONQDASDGV-GHMZBOCLSA-N 1 0 345.425 -1.145 20 0 EAADRO C[C@@H]1CN(CCS(C)(=O)=O)CC[C@@H]1NC(=O)CN1CN=NC1=O 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AMHYFPLAEDXWMA-QWHCGFSZSA-N 1 0 337.424 -1.913 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000941996062 669339713 /nfs/dbraw/zinc/33/97/13/669339713.db2.gz NVRUCLKMHMWFTI-CHWSQXEVSA-N 1 0 337.424 -1.771 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000941996063 669339421 /nfs/dbraw/zinc/33/94/21/669339421.db2.gz NVRUCLKMHMWFTI-OLZOCXBDSA-N 1 0 337.424 -1.771 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000941996172 669339775 /nfs/dbraw/zinc/33/97/75/669339775.db2.gz OWGBZULSPZJQHN-CYBMUJFWSA-N 1 0 349.435 -1.769 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000941996653 669340445 /nfs/dbraw/zinc/34/04/45/669340445.db2.gz UWBFOMQRQYMZJH-CYBMUJFWSA-N 1 0 337.424 -1.769 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1)[NH+](C)C ZINC000941996816 669340433 /nfs/dbraw/zinc/34/04/33/669340433.db2.gz XMISGPGJDKAJQV-CHWSQXEVSA-N 1 0 339.440 -1.525 20 0 EAADRO 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EAADRO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948445193 670163523 /nfs/dbraw/zinc/16/35/23/670163523.db2.gz WLJMMQWCWRXGIA-UWVGGRQHSA-N 1 0 325.369 -1.617 20 0 EAADRO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948445194 670163659 /nfs/dbraw/zinc/16/36/59/670163659.db2.gz WLJMMQWCWRXGIA-ZJUUUORDSA-N 1 0 325.369 -1.617 20 0 EAADRO CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948562398 670167797 /nfs/dbraw/zinc/16/77/97/670167797.db2.gz TZKKRRVEUOBQJO-CYBMUJFWSA-N 1 0 339.440 -1.441 20 0 EAADRO CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948562403 670167996 /nfs/dbraw/zinc/16/79/96/670167996.db2.gz TZKKRRVEUOBQJO-ZDUSSCGKSA-N 1 0 339.440 -1.441 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC000948566365 670167984 /nfs/dbraw/zinc/16/79/84/670167984.db2.gz NCCDBAIZXDBJGU-GFCCVEGCSA-N 1 0 338.412 -1.359 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC000948566366 670168007 /nfs/dbraw/zinc/16/80/07/670168007.db2.gz NCCDBAIZXDBJGU-LBPRGKRZSA-N 1 0 338.412 -1.359 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC000948567711 670167757 /nfs/dbraw/zinc/16/77/57/670167757.db2.gz VPUCBJPOMBEWLO-NEPJUHHUSA-N 1 0 338.412 -1.232 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC000948567712 670167805 /nfs/dbraw/zinc/16/78/05/670167805.db2.gz VPUCBJPOMBEWLO-NWDGAFQWSA-N 1 0 338.412 -1.232 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC000948567713 670167850 /nfs/dbraw/zinc/16/78/50/670167850.db2.gz VPUCBJPOMBEWLO-RYUDHWBXSA-N 1 0 338.412 -1.232 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC000948567714 670167866 /nfs/dbraw/zinc/16/78/66/670167866.db2.gz VPUCBJPOMBEWLO-VXGBXAGGSA-N 1 0 338.412 -1.232 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948588736 670168575 /nfs/dbraw/zinc/16/85/75/670168575.db2.gz QIMPUGNBOVQOCU-GRYCIOLGSA-N 1 0 336.396 -1.102 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948588737 670168486 /nfs/dbraw/zinc/16/84/86/670168486.db2.gz QIMPUGNBOVQOCU-IJLUTSLNSA-N 1 0 336.396 -1.102 20 0 EAADRO CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948591346 670168610 /nfs/dbraw/zinc/16/86/10/670168610.db2.gz VNAAOINZXIIAAK-LLVKDONJSA-N 1 0 337.380 -1.253 20 0 EAADRO CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948591347 670168383 /nfs/dbraw/zinc/16/83/83/670168383.db2.gz VNAAOINZXIIAAK-NSHDSACASA-N 1 0 337.380 -1.253 20 0 EAADRO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948642113 670169777 /nfs/dbraw/zinc/16/97/77/670169777.db2.gz BMHQSFQKXYOESK-NEPJUHHUSA-N 1 0 347.437 -1.795 20 0 EAADRO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948642114 670169766 /nfs/dbraw/zinc/16/97/66/670169766.db2.gz BMHQSFQKXYOESK-RYUDHWBXSA-N 1 0 347.437 -1.795 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948670041 670169860 /nfs/dbraw/zinc/16/98/60/670169860.db2.gz MOMKPUJGAGUMBU-CHWSQXEVSA-N 1 0 339.440 -1.395 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948670043 670169817 /nfs/dbraw/zinc/16/98/17/670169817.db2.gz MOMKPUJGAGUMBU-OLZOCXBDSA-N 1 0 339.440 -1.395 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948670044 670169739 /nfs/dbraw/zinc/16/97/39/670169739.db2.gz MOMKPUJGAGUMBU-QWHCGFSZSA-N 1 0 339.440 -1.395 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948670046 670169808 /nfs/dbraw/zinc/16/98/08/670169808.db2.gz MOMKPUJGAGUMBU-STQMWFEESA-N 1 0 339.440 -1.395 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948670293 670169703 /nfs/dbraw/zinc/16/97/03/670169703.db2.gz OZMJPNGUSVSPKP-CYBMUJFWSA-N 1 0 339.440 -1.523 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948670294 670169788 /nfs/dbraw/zinc/16/97/88/670169788.db2.gz OZMJPNGUSVSPKP-ZDUSSCGKSA-N 1 0 339.440 -1.523 20 0 EAADRO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948670643 670169750 /nfs/dbraw/zinc/16/97/50/670169750.db2.gz UGYNYWMOJIQRQQ-GFCCVEGCSA-N 1 0 325.413 -1.784 20 0 EAADRO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948670644 670169867 /nfs/dbraw/zinc/16/98/67/670169867.db2.gz UGYNYWMOJIQRQQ-LBPRGKRZSA-N 1 0 325.413 -1.784 20 0 EAADRO CN(C(=O)c1nnn(C)n1)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000948694595 670170267 /nfs/dbraw/zinc/17/02/67/670170267.db2.gz QYVUOLWDSANANH-GHMZBOCLSA-N 1 0 349.395 -1.058 20 0 EAADRO CN(C(=O)c1nnn(C)n1)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000948694596 670170359 /nfs/dbraw/zinc/17/03/59/670170359.db2.gz QYVUOLWDSANANH-MNOVXSKESA-N 1 0 349.395 -1.058 20 0 EAADRO CN(C(=O)c1nnn(C)n1)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000948694597 670170161 /nfs/dbraw/zinc/17/01/61/670170161.db2.gz QYVUOLWDSANANH-QWRGUYRKSA-N 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C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)c1nnn(C)n1)CCO2 ZINC000949162268 668667018 /nfs/dbraw/zinc/66/70/18/668667018.db2.gz RYPZUVMRGXGPMP-SNVBAGLBSA-N 1 0 337.384 -1.609 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 ZINC000949167047 670188204 /nfs/dbraw/zinc/18/82/04/670188204.db2.gz NDPYHVUVWOHQNT-LLVKDONJSA-N 1 0 349.391 -1.049 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 ZINC000949167048 670188273 /nfs/dbraw/zinc/18/82/73/670188273.db2.gz NDPYHVUVWOHQNT-NSHDSACASA-N 1 0 349.391 -1.049 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000949174067 670188761 /nfs/dbraw/zinc/18/87/61/670188761.db2.gz DBFXODNSVZPYPJ-UHFFFAOYSA-N 1 0 338.408 -1.213 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 ZINC000949174299 670188728 /nfs/dbraw/zinc/18/87/28/670188728.db2.gz OIAZWZDQOMPDBP-LLVKDONJSA-N 1 0 338.408 -1.181 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 ZINC000949174300 670189187 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338.408 -1.214 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCOC2(CC[NH+](CCCO)CC2)C1 ZINC000949174713 670189248 /nfs/dbraw/zinc/18/92/48/670189248.db2.gz YZWCAOLEXMPMAT-GFCCVEGCSA-N 1 0 326.397 -1.256 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCOC2(CC[NH+](CCCO)CC2)C1 ZINC000949174714 670189085 /nfs/dbraw/zinc/18/90/85/670189085.db2.gz YZWCAOLEXMPMAT-LBPRGKRZSA-N 1 0 326.397 -1.256 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 ZINC000949174734 670189178 /nfs/dbraw/zinc/18/91/78/670189178.db2.gz ZULIDKXBSTTZIV-NEPJUHHUSA-N 1 0 326.397 -1.258 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC000949174735 670189218 /nfs/dbraw/zinc/18/92/18/670189218.db2.gz ZULIDKXBSTTZIV-NWDGAFQWSA-N 1 0 326.397 -1.258 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 ZINC000949174736 670189010 /nfs/dbraw/zinc/18/90/10/670189010.db2.gz ZULIDKXBSTTZIV-RYUDHWBXSA-N 1 0 326.397 -1.258 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC000949174737 670189237 /nfs/dbraw/zinc/18/92/37/670189237.db2.gz ZULIDKXBSTTZIV-VXGBXAGGSA-N 1 0 326.397 -1.258 20 0 EAADRO CN1CCC[C@@H]([NH+]2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)C1=O ZINC000949176775 668680967 /nfs/dbraw/zinc/68/09/67/668680967.db2.gz DOVGAWKRDDAHPY-GFCCVEGCSA-N 1 0 338.408 -1.214 20 0 EAADRO CN1CCC[C@H]([NH+]2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)C1=O ZINC000949176776 668680410 /nfs/dbraw/zinc/68/04/10/668680410.db2.gz DOVGAWKRDDAHPY-LBPRGKRZSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CC[NH+](CCN3CCCC3=O)CC2)C1 ZINC000949177041 668680786 /nfs/dbraw/zinc/68/07/86/668680786.db2.gz IJCMUDNGVYDSRE-UHFFFAOYSA-N 1 0 338.408 -1.213 20 0 EAADRO C[C@H](C(=O)NC1CC1)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC000949177207 670189831 /nfs/dbraw/zinc/18/98/31/670189831.db2.gz KRNZZTSQZLTJHP-LLVKDONJSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H](C(=O)NC1CC1)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC000949177209 670189705 /nfs/dbraw/zinc/18/97/05/670189705.db2.gz KRNZZTSQZLTJHP-NSHDSACASA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CC[NH+](C[C@H]3CCc4ncnn43)CC2)C1 ZINC000949177283 670189786 /nfs/dbraw/zinc/18/97/86/670189786.db2.gz NAOJWHCCPZJAPJ-GFCCVEGCSA-N 1 0 348.407 -1.056 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CC[NH+](C[C@@H]3CCc4ncnn43)CC2)C1 ZINC000949177474 670189528 /nfs/dbraw/zinc/18/95/28/670189528.db2.gz NAOJWHCCPZJAPJ-LBPRGKRZSA-N 1 0 348.407 -1.056 20 0 EAADRO CCN1CC[C@@H]([NH+]2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)C1=O ZINC000949177496 670189504 /nfs/dbraw/zinc/18/95/04/670189504.db2.gz NZQPDRFLBVHFHQ-GFCCVEGCSA-N 1 0 338.408 -1.214 20 0 EAADRO CCN1CC[C@H]([NH+]2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)C1=O ZINC000949177497 670189777 /nfs/dbraw/zinc/18/97/77/670189777.db2.gz NZQPDRFLBVHFHQ-LBPRGKRZSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000949177544 670189469 /nfs/dbraw/zinc/18/94/69/670189469.db2.gz QHMUFCPRYKQFFF-JTQLQIEISA-N 1 0 338.364 -2.030 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000949177545 670189765 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CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC000958851597 670789672 /nfs/dbraw/zinc/78/96/72/670789672.db2.gz ZFYZTASCCDMXPC-STQMWFEESA-N 1 0 349.391 -1.078 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O ZINC000958851842 670790071 /nfs/dbraw/zinc/79/00/71/670790071.db2.gz LLIICBFFNKNPNQ-QWRGUYRKSA-N 1 0 337.384 -2.050 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC000958851947 670789806 /nfs/dbraw/zinc/78/98/06/670789806.db2.gz PQUQVFDRFYAHCU-RYUDHWBXSA-N 1 0 340.424 -1.376 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O ZINC000958852024 670789819 /nfs/dbraw/zinc/78/98/19/670789819.db2.gz TZGPUGJOZWXFDR-VOAKCMCISA-N 1 0 338.408 -1.766 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O ZINC000958852061 670789915 /nfs/dbraw/zinc/78/99/15/670789915.db2.gz VYRFGKVILCKPPV-AGIUHOORSA-N 1 0 338.408 -1.752 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O ZINC000958852062 670790076 /nfs/dbraw/zinc/79/00/76/670790076.db2.gz VYRFGKVILCKPPV-AVGNSLFASA-N 1 0 338.408 -1.752 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC000958852082 670790018 /nfs/dbraw/zinc/79/00/18/670790018.db2.gz WXZLICOVFYHOLF-STQMWFEESA-N 1 0 349.391 -1.078 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O ZINC000958852104 670789894 /nfs/dbraw/zinc/78/98/94/670789894.db2.gz XPZNCWXLYNSQHH-STQMWFEESA-N 1 0 349.391 -1.078 20 0 EAADRO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC000958852126 670789780 /nfs/dbraw/zinc/78/97/80/670789780.db2.gz YDUWLXXTUBPPJX-STQMWFEESA-N 1 0 336.396 -1.596 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC000958853446 670790805 /nfs/dbraw/zinc/79/08/05/670790805.db2.gz CWGWLPXMPMQHSZ-SRVKXCTJSA-N 1 0 339.400 -1.957 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC000958853447 670790950 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CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1)[NH+](C)C ZINC000958855497 670794231 /nfs/dbraw/zinc/79/42/31/670794231.db2.gz INLUESYJISMUGD-AVGNSLFASA-N 1 0 338.412 -1.352 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958855577 670794252 /nfs/dbraw/zinc/79/42/52/670794252.db2.gz MHFAURSQTYYGGN-AGIUHOORSA-N 1 0 336.396 -1.598 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958855578 670794393 /nfs/dbraw/zinc/79/43/93/670794393.db2.gz MHFAURSQTYYGGN-AVGNSLFASA-N 1 0 336.396 -1.598 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958856124 670795166 /nfs/dbraw/zinc/79/51/66/670795166.db2.gz LKVNRFPCTKVXFP-AGIUHOORSA-N 1 0 336.396 -1.740 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958856125 670795193 /nfs/dbraw/zinc/79/51/93/670795193.db2.gz LKVNRFPCTKVXFP-AVGNSLFASA-N 1 0 336.396 -1.740 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958856352 670795395 /nfs/dbraw/zinc/79/53/95/670795395.db2.gz WTAVWXRLVRVDAC-STQMWFEESA-N 1 0 336.396 -1.596 20 0 EAADRO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)CC[N@@H+]1C ZINC000958859871 670796237 /nfs/dbraw/zinc/79/62/37/670796237.db2.gz OKSTWCGJRFTCTH-WYUUTHIRSA-N 1 0 336.396 -1.211 20 0 EAADRO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC[N@@H+]1C ZINC000958859890 670796624 /nfs/dbraw/zinc/79/66/24/670796624.db2.gz PBJJUNWEVWGTLD-WYUUTHIRSA-N 1 0 326.397 -1.768 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC[N@@H+]1C ZINC000958860437 670796375 /nfs/dbraw/zinc/79/63/75/670796375.db2.gz QPYABDHJHOGHOY-RNJOBUHISA-N 1 0 340.424 -1.378 20 0 EAADRO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)CC[N@@H+]1C ZINC000958860444 670796578 /nfs/dbraw/zinc/79/65/78/670796578.db2.gz QVVYSIMSIJHTSR-AAXDQBDMSA-N 1 0 336.396 -1.211 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC[N@@H+]1C ZINC000958860505 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CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CCOC)nn1 ZINC000959848145 671914888 /nfs/dbraw/zinc/91/48/88/671914888.db2.gz QKSHAVLZKKBJCZ-JULQROHOSA-N 1 0 336.396 -1.152 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)nn1 ZINC000959848178 671914949 /nfs/dbraw/zinc/91/49/49/671914949.db2.gz QZPYPDKHDPVQSP-UZGDPCLZSA-N 1 0 348.407 -1.185 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)nn1 ZINC000959848179 671915442 /nfs/dbraw/zinc/91/54/42/671915442.db2.gz QZPYPDKHDPVQSP-WVWOOGAGSA-N 1 0 348.407 -1.185 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)[nH]1 ZINC000959849762 671915369 /nfs/dbraw/zinc/91/53/69/671915369.db2.gz YRGISWYRNDFRRI-MSRIBSCDSA-N 1 0 347.379 -1.746 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)n1 ZINC000959852464 671915391 /nfs/dbraw/zinc/91/53/91/671915391.db2.gz WBLDQDFRJWJNGX-JYAVWHMHSA-N 1 0 346.391 -1.439 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000959862728 671916015 /nfs/dbraw/zinc/91/60/15/671916015.db2.gz ILMAQVYCUGXQSJ-OZTPJHRESA-N 1 0 331.376 -1.186 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000959862730 671915988 /nfs/dbraw/zinc/91/59/88/671915988.db2.gz ILMAQVYCUGXQSJ-ZAZJYDDPSA-N 1 0 331.376 -1.186 20 0 EAADRO Cc1cn(C)nc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000959864451 671915874 /nfs/dbraw/zinc/91/58/74/671915874.db2.gz LJCTULNJHKWLRW-YABSGUDNSA-N 1 0 346.391 -1.060 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)Cn2cnnn2)nc1=O ZINC000959864807 671915952 /nfs/dbraw/zinc/91/59/52/671915952.db2.gz JEUXPMIYDHZJDU-JTQLQIEISA-N 1 0 335.372 -1.734 20 0 EAADRO O=C(Cn1cnnn1)N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC000959866383 671915944 /nfs/dbraw/zinc/91/59/44/671915944.db2.gz TTWHEAMRBSKFIE-QWRGUYRKSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC000959866385 671915884 /nfs/dbraw/zinc/91/58/84/671915884.db2.gz TTWHEAMRBSKFIE-WDEREUQCSA-N 1 0 335.368 -1.551 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CCOC)nn1 ZINC000959873934 671915849 /nfs/dbraw/zinc/91/58/49/671915849.db2.gz DRWFBXGUVRTFPO-DCQANWLSSA-N 1 0 336.396 -1.281 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CCOC)nn1 ZINC000959873939 671915919 /nfs/dbraw/zinc/91/59/19/671915919.db2.gz DRWFBXGUVRTFPO-MEWQQHAOSA-N 1 0 336.396 -1.281 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)nn1 ZINC000959873961 671915970 /nfs/dbraw/zinc/91/59/70/671915970.db2.gz DUFVYWGXJDZMKJ-UZGDPCLZSA-N 1 0 348.407 -1.137 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)nn1 ZINC000959873964 671916004 /nfs/dbraw/zinc/91/60/04/671916004.db2.gz DUFVYWGXJDZMKJ-WVWOOGAGSA-N 1 0 348.407 -1.137 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC000959880312 671916451 /nfs/dbraw/zinc/91/64/51/671916451.db2.gz PRRYEVLKLLBRRW-DNIRFERGSA-N 1 0 334.380 -1.527 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC000959880321 671916392 /nfs/dbraw/zinc/91/63/92/671916392.db2.gz PRRYEVLKLLBRRW-JULQROHOSA-N 1 0 334.380 -1.527 20 0 EAADRO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)nn1 ZINC000959883552 671916368 /nfs/dbraw/zinc/91/63/68/671916368.db2.gz WSZGQEQFUYZELZ-YABSGUDNSA-N 1 0 344.375 -1.003 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2COCCO2)nc1=O ZINC000959887840 671916833 /nfs/dbraw/zinc/91/68/33/671916833.db2.gz BIHCRIJKKLUVEC-NWDGAFQWSA-N 1 0 339.396 -1.006 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2COCCO2)nc1=O ZINC000959887850 671916939 /nfs/dbraw/zinc/91/69/39/671916939.db2.gz BIHCRIJKKLUVEC-RYUDHWBXSA-N 1 0 339.396 -1.006 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)n1 ZINC000959888636 671916952 /nfs/dbraw/zinc/91/69/52/671916952.db2.gz ADUNMKVBWHWXEP-IMRBUKKESA-N 1 0 331.384 -1.372 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000959889595 671916930 /nfs/dbraw/zinc/91/69/30/671916930.db2.gz BWCVSNLHWYYNPH-GDGBQDQQSA-N 1 0 334.340 -2.729 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1=O ZINC000959892125 671916868 /nfs/dbraw/zinc/91/68/68/671916868.db2.gz GUAGJTGVYSYVTM-BBGACYKPSA-N 1 0 348.403 -1.294 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1=O ZINC000959892127 671916802 /nfs/dbraw/zinc/91/68/02/671916802.db2.gz GUAGJTGVYSYVTM-DEKYYXRVSA-N 1 0 348.403 -1.294 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)cc1=O ZINC000959893586 671916898 /nfs/dbraw/zinc/91/68/98/671916898.db2.gz LMIAJKQEIISLJO-JYAVWHMHSA-N 1 0 329.364 -1.382 20 0 EAADRO CC1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)CC1 ZINC000959893838 671917343 /nfs/dbraw/zinc/91/73/43/671917343.db2.gz LVVXHIXMTSWGNY-VIKVFOODSA-N 1 0 347.423 -1.022 20 0 EAADRO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC000959894524 671917259 /nfs/dbraw/zinc/91/72/59/671917259.db2.gz NOAIDSHDZSIMKF-MSRIBSCDSA-N 1 0 336.392 -1.436 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC000959897748 671917402 /nfs/dbraw/zinc/91/74/02/671917402.db2.gz WVNKHEPCYIZKOR-JYAVWHMHSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000959898274 671917764 /nfs/dbraw/zinc/91/77/64/671917764.db2.gz DMTIUVLYAVZQCF-IWIIMEHWSA-N 1 0 348.367 -2.339 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC000959899488 671917726 /nfs/dbraw/zinc/91/77/26/671917726.db2.gz HSZLSNBWJFENTQ-UUIJZJDISA-N 1 0 349.395 -2.297 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC000959901595 671918198 /nfs/dbraw/zinc/91/81/98/671918198.db2.gz ONOUJUKMEJYHMA-FJJYHAOUSA-N 1 0 333.396 -1.364 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC000959901602 671918228 /nfs/dbraw/zinc/91/82/28/671918228.db2.gz ONOUJUKMEJYHMA-UUIJZJDISA-N 1 0 333.396 -1.364 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000959902795 671918155 /nfs/dbraw/zinc/91/81/55/671918155.db2.gz SOBWHNPJYCCKQQ-COMQUAJESA-N 1 0 345.407 -1.127 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000959902797 671918088 /nfs/dbraw/zinc/91/80/88/671918088.db2.gz SOBWHNPJYCCKQQ-SFDCQRBFSA-N 1 0 345.407 -1.127 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC000959903358 671918594 /nfs/dbraw/zinc/91/85/94/671918594.db2.gz UEOORNLZPMQFEG-KZWBYHQPSA-N 1 0 329.368 -1.502 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC000959903359 671918609 /nfs/dbraw/zinc/91/86/09/671918609.db2.gz UEOORNLZPMQFEG-PUHVVEEASA-N 1 0 329.368 -1.502 20 0 EAADRO Cc1csc(=O)n1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959903834 671918601 /nfs/dbraw/zinc/91/86/01/671918601.db2.gz VEWCGQLJADFKBK-PJXYFTJBSA-N 1 0 349.420 -1.049 20 0 EAADRO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959906396 671919058 /nfs/dbraw/zinc/91/90/58/671919058.db2.gz BDCIQXORSITGBK-CZXHOFHRSA-N 1 0 333.396 -1.271 20 0 EAADRO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959906406 671918843 /nfs/dbraw/zinc/91/88/43/671918843.db2.gz BDCIQXORSITGBK-KZVDOYCCSA-N 1 0 333.396 -1.271 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2CN(Cc3cn(CC4CC4)nn3)C[C@H]21 ZINC000959906421 671918960 /nfs/dbraw/zinc/91/89/60/671918960.db2.gz BAHBKRJNTYGGQJ-NHAGDIPZSA-N 1 0 343.395 -1.079 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC000959907391 671919081 /nfs/dbraw/zinc/91/90/81/671919081.db2.gz CFLBWDDNISNJET-JYAVWHMHSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC000959911163 671919069 /nfs/dbraw/zinc/91/90/69/671919069.db2.gz LGCJKGMESHASON-CIQGVGRVSA-N 1 0 332.368 -2.023 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC000959911173 671918903 /nfs/dbraw/zinc/91/89/03/671918903.db2.gz LGCJKGMESHASON-NMKXLXIOSA-N 1 0 332.368 -2.023 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC000959912097 671919421 /nfs/dbraw/zinc/91/94/21/671919421.db2.gz VCKYLDJKZFOPGM-QWRGUYRKSA-N 1 0 345.421 -1.193 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC000959912396 671919499 /nfs/dbraw/zinc/91/94/99/671919499.db2.gz VCKYLDJKZFOPGM-WDEREUQCSA-N 1 0 345.421 -1.193 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000959914279 671919428 /nfs/dbraw/zinc/91/94/28/671919428.db2.gz RJUJGXYMSAFUJM-MSRIBSCDSA-N 1 0 333.352 -2.132 20 0 EAADRO 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/nfs/dbraw/zinc/92/34/48/671923448.db2.gz XMFDSJLZGPEGAE-NSHDSACASA-N 1 0 334.384 -1.129 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000960027709 671923216 /nfs/dbraw/zinc/92/32/16/671923216.db2.gz MGJCVBRNLLGDGM-AXFHLTTASA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC000960027712 671923336 /nfs/dbraw/zinc/92/33/36/671923336.db2.gz MGJCVBRNLLGDGM-DCAQKATOSA-N 1 0 337.380 -1.556 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000960027917 671923389 /nfs/dbraw/zinc/92/33/89/671923389.db2.gz QKOANAGVHARXFB-JQWIXIFHSA-N 1 0 349.395 -1.116 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000960034014 671923790 /nfs/dbraw/zinc/92/37/90/671923790.db2.gz MZICJTQLIPSZGG-QWHCGFSZSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC000960034016 671923819 /nfs/dbraw/zinc/92/38/19/671923819.db2.gz MZICJTQLIPSZGG-STQMWFEESA-N 1 0 338.408 -1.296 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c1=O ZINC000960048884 671923853 /nfs/dbraw/zinc/92/38/53/671923853.db2.gz APSNHAGKIZHDNM-NWDGAFQWSA-N 1 0 336.396 -1.559 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@H]2C[NH2+][C@H]2CCNC2=O)c1=O ZINC000960048890 671923916 /nfs/dbraw/zinc/92/39/16/671923916.db2.gz APSNHAGKIZHDNM-RYUDHWBXSA-N 1 0 336.396 -1.559 20 0 EAADRO O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1)N1CCNC(=O)C1 ZINC000960049046 671923878 /nfs/dbraw/zinc/92/38/78/671923878.db2.gz RURLFPKDYYMOQY-JYAVWHMHSA-N 1 0 331.376 -1.367 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2cnnn2C)c1=O ZINC000960052201 671923844 /nfs/dbraw/zinc/92/38/44/671923844.db2.gz RSXJHTZCWOOWPB-LBPRGKRZSA-N 1 0 348.411 -1.119 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000960055920 671923814 /nfs/dbraw/zinc/92/38/14/671923814.db2.gz PGKMNYYJSDVVEO-NWDGAFQWSA-N 1 0 349.391 -1.192 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC000960055921 671923695 /nfs/dbraw/zinc/92/36/95/671923695.db2.gz PGKMNYYJSDVVEO-RYUDHWBXSA-N 1 0 349.391 -1.192 20 0 EAADRO CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CS(=O)(=O)C2)C1=O ZINC000960068614 671925129 /nfs/dbraw/zinc/92/51/29/671925129.db2.gz TVYNFKVEUNNBFG-QNWHQSFQSA-N 1 0 341.433 -1.302 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CS(=O)(=O)C2)C1=O ZINC000960068623 671925175 /nfs/dbraw/zinc/92/51/75/671925175.db2.gz TVYNFKVEUNNBFG-XQHKEYJVSA-N 1 0 341.433 -1.302 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000960072602 671925424 /nfs/dbraw/zinc/92/54/24/671925424.db2.gz JABGUBUNRVYRIL-BBGACYKPSA-N 1 0 347.423 -1.095 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000960072604 671925399 /nfs/dbraw/zinc/92/53/99/671925399.db2.gz JABGUBUNRVYRIL-DEKYYXRVSA-N 1 0 347.423 -1.095 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960081123 671925838 /nfs/dbraw/zinc/92/58/38/671925838.db2.gz RDHZYXWZJGEBBV-OHBODLIOSA-N 1 0 329.364 -1.081 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960081126 671925881 /nfs/dbraw/zinc/92/58/81/671925881.db2.gz RDHZYXWZJGEBBV-YJQGPUDQSA-N 1 0 329.364 -1.081 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCNC2=O)nc1=O ZINC000960081531 671925858 /nfs/dbraw/zinc/92/58/58/671925858.db2.gz JKLMBQGOSCSWOF-QWRGUYRKSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCNC2=O)nc1=O ZINC000960081533 671925948 /nfs/dbraw/zinc/92/59/48/671925948.db2.gz JKLMBQGOSCSWOF-WDEREUQCSA-N 1 0 336.396 -1.285 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cccn2nnnc12 ZINC000960082229 671926058 /nfs/dbraw/zinc/92/60/58/671926058.db2.gz VPMVVWSESZHCLN-KXNHARMFSA-N 1 0 327.348 -1.327 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1cccn2nnnc12 ZINC000960082231 671926086 /nfs/dbraw/zinc/92/60/86/671926086.db2.gz VPMVVWSESZHCLN-WHOHXGKFSA-N 1 0 327.348 -1.327 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c1=O ZINC000960082731 671925852 /nfs/dbraw/zinc/92/58/52/671925852.db2.gz QVWCQSGKSXKLTM-CMPLNLGQSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCCC[C@H]2C[NH2+][C@H]2CCNC2=O)c1=O ZINC000960082732 671925978 /nfs/dbraw/zinc/92/59/78/671925978.db2.gz QVWCQSGKSXKLTM-JQWIXIFHSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC000960086337 671926070 /nfs/dbraw/zinc/92/60/70/671926070.db2.gz JPRKOXOQFNYCJD-ZDUSSCGKSA-N 1 0 349.439 -1.282 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000960088088 671926545 /nfs/dbraw/zinc/92/65/45/671926545.db2.gz UTHAMCKCTLCNJF-QWHCGFSZSA-N 1 0 337.424 -1.723 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC000960088200 671926526 /nfs/dbraw/zinc/92/65/26/671926526.db2.gz UTHAMCKCTLCNJF-STQMWFEESA-N 1 0 337.424 -1.723 20 0 EAADRO Cn1nnc(C(=O)N2CCCC[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC000960093914 671926474 /nfs/dbraw/zinc/92/64/74/671926474.db2.gz GDENZCCMBKEHIZ-UWVGGRQHSA-N 1 0 335.368 -1.400 20 0 EAADRO Cn1nnc(C(=O)N2CCCC[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC000960093915 671926484 /nfs/dbraw/zinc/92/64/84/671926484.db2.gz GDENZCCMBKEHIZ-VHSXEESVSA-N 1 0 335.368 -1.400 20 0 EAADRO Cn1nnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC000960096040 671926909 /nfs/dbraw/zinc/92/69/09/671926909.db2.gz ZPCCUYILKVAHBV-VIFPVBQESA-N 1 0 335.372 -1.584 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC000960104851 671926736 /nfs/dbraw/zinc/92/67/36/671926736.db2.gz JSMHWLZRQKWXKG-CXTNEJHOSA-N 1 0 331.380 -1.418 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC000960104853 671926870 /nfs/dbraw/zinc/92/68/70/671926870.db2.gz JSMHWLZRQKWXKG-RMRHIDDWSA-N 1 0 331.380 -1.418 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000960106170 671926858 /nfs/dbraw/zinc/92/68/58/671926858.db2.gz OVHXOVHUHSQCEH-HBYGRHMLSA-N 1 0 332.364 -1.527 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)nc1=O ZINC000960106806 671926686 /nfs/dbraw/zinc/92/66/86/671926686.db2.gz ZNHJDRCZYPFQRV-JTQLQIEISA-N 1 0 347.379 -1.024 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC000960108526 671927196 /nfs/dbraw/zinc/92/71/96/671927196.db2.gz DGCZOQGXSHFVAL-BCUIYNNISA-N 1 0 348.407 -1.692 20 0 EAADRO Cn1c(C[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)cc(=O)n(C)c1=O ZINC000960108894 671927276 /nfs/dbraw/zinc/92/72/76/671927276.db2.gz CALVVBNVRYUJQQ-JTQLQIEISA-N 1 0 337.380 -1.960 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCCN3C(=O)C(N)=O)C2=O)n1 ZINC000960108965 671927257 /nfs/dbraw/zinc/92/72/57/671927257.db2.gz FAOLCKWLXFHYLY-NWDGAFQWSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCCN3C(=O)C(N)=O)C2=O)n1 ZINC000960108968 671927165 /nfs/dbraw/zinc/92/71/65/671927165.db2.gz FAOLCKWLXFHYLY-RYUDHWBXSA-N 1 0 348.407 -1.019 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000960109063 671927264 /nfs/dbraw/zinc/92/72/64/671927264.db2.gz FHZMXOFTFFZGIO-IWIIMEHWSA-N 1 0 333.352 -2.124 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H]3CCCCN3C(=O)C(N)=O)C2=O)cn1 ZINC000960109447 671927272 /nfs/dbraw/zinc/92/72/72/671927272.db2.gz IZJZWGDEUPRRBO-AAEUAGOBSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H]3CCCCN3C(=O)C(N)=O)C2=O)cn1 ZINC000960109450 671927278 /nfs/dbraw/zinc/92/72/78/671927278.db2.gz IZJZWGDEUPRRBO-WCQYABFASA-N 1 0 348.407 -1.019 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC000960116264 671927648 /nfs/dbraw/zinc/92/76/48/671927648.db2.gz STFJXBYDPFDXGJ-NSHDSACASA-N 1 0 332.364 -1.021 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000960116275 671927635 /nfs/dbraw/zinc/92/76/35/671927635.db2.gz SWKRJJGFCBICCG-NEPJUHHUSA-N 1 0 346.453 -1.276 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000960116280 671927573 /nfs/dbraw/zinc/92/75/73/671927573.db2.gz SWKRJJGFCBICCG-RYUDHWBXSA-N 1 0 346.453 -1.276 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)N2)nc1=O ZINC000960117205 671927739 /nfs/dbraw/zinc/92/77/39/671927739.db2.gz XWOAFCZIUAMPKT-UWVGGRQHSA-N 1 0 337.384 -1.740 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CNC(=O)N2)nc1=O ZINC000960117210 671927562 /nfs/dbraw/zinc/92/75/62/671927562.db2.gz XWOAFCZIUAMPKT-VHSXEESVSA-N 1 0 337.384 -1.740 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000960134062 671928117 /nfs/dbraw/zinc/92/81/17/671928117.db2.gz FTLOCWDYMQTBCK-FPMFFAJLSA-N 1 0 348.407 -1.039 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000960134064 671928074 /nfs/dbraw/zinc/92/80/74/671928074.db2.gz FTLOCWDYMQTBCK-KWCYVHTRSA-N 1 0 348.407 -1.039 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)n1 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CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)nn1 ZINC000961926691 672041469 /nfs/dbraw/zinc/04/14/69/672041469.db2.gz ABJPSWXNFSRLPK-RTXFEEFZSA-N 1 0 336.396 -1.306 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)nn1 ZINC000961926694 672041548 /nfs/dbraw/zinc/04/15/48/672041548.db2.gz ABJPSWXNFSRLPK-WXHSDQCUSA-N 1 0 336.396 -1.306 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)cn1 ZINC000961926712 672041095 /nfs/dbraw/zinc/04/10/95/672041095.db2.gz AOLUEYSMSDSEBG-AGIUHOORSA-N 1 0 349.391 -1.119 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)cn1 ZINC000961926715 672041252 /nfs/dbraw/zinc/04/12/52/672041252.db2.gz AOLUEYSMSDSEBG-UPJWGTAASA-N 1 0 349.391 -1.119 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961926789 672041574 /nfs/dbraw/zinc/04/15/74/672041574.db2.gz BVHLVHDVWNFDDV-MCIONIFRSA-N 1 0 335.408 -1.026 20 0 EAADRO 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C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1O ZINC000961927135 672041515 /nfs/dbraw/zinc/04/15/15/672041515.db2.gz DVIBQKCRJXQENZ-AGIUHOORSA-N 1 0 349.391 -1.491 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1O ZINC000961927136 672041394 /nfs/dbraw/zinc/04/13/94/672041394.db2.gz DVIBQKCRJXQENZ-UPJWGTAASA-N 1 0 349.391 -1.491 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O ZINC000961927161 672041073 /nfs/dbraw/zinc/04/10/73/672041073.db2.gz FLBUAJKHHBNYGG-UTUOFQBUSA-N 1 0 345.421 -2.187 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O ZINC000961927162 672041406 /nfs/dbraw/zinc/04/14/06/672041406.db2.gz FLBUAJKHHBNYGG-WOPDTQHZSA-N 1 0 345.421 -2.187 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961927353 672041456 /nfs/dbraw/zinc/04/14/56/672041456.db2.gz GGDFESWMRVJXEZ-AGIUHOORSA-N 1 0 337.380 -1.297 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961927355 672041060 /nfs/dbraw/zinc/04/10/60/672041060.db2.gz GGDFESWMRVJXEZ-UPJWGTAASA-N 1 0 337.380 -1.297 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O ZINC000961927434 672041410 /nfs/dbraw/zinc/04/14/10/672041410.db2.gz HENKVRZUJCXVJZ-MCIONIFRSA-N 1 0 333.392 -1.199 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O ZINC000961927435 672041199 /nfs/dbraw/zinc/04/11/99/672041199.db2.gz HENKVRZUJCXVJZ-RDBSUJKOSA-N 1 0 333.392 -1.199 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)nnn1C ZINC000961927436 672041422 /nfs/dbraw/zinc/04/14/22/672041422.db2.gz HENUSFAENKNTEV-UTUOFQBUSA-N 1 0 336.396 -1.481 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)nnn1C ZINC000961927437 672041433 /nfs/dbraw/zinc/04/14/33/672041433.db2.gz HENUSFAENKNTEV-WOPDTQHZSA-N 1 0 336.396 -1.481 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC000961927462 672041453 /nfs/dbraw/zinc/04/14/53/672041453.db2.gz HQTUDUWYAZEDMJ-UTUOFQBUSA-N 1 0 335.364 -1.834 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC000961927465 672041503 /nfs/dbraw/zinc/04/15/03/672041503.db2.gz HQTUDUWYAZEDMJ-WOPDTQHZSA-N 1 0 335.364 -1.834 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)C1 ZINC000961927621 672041318 /nfs/dbraw/zinc/04/13/18/672041318.db2.gz IZJSPBKREUHBPV-MCIONIFRSA-N 1 0 338.408 -1.753 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)C1 ZINC000961927622 672041172 /nfs/dbraw/zinc/04/11/72/672041172.db2.gz IZJSPBKREUHBPV-RDBSUJKOSA-N 1 0 338.408 -1.753 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961927623 672041037 /nfs/dbraw/zinc/04/10/37/672041037.db2.gz IZKPEXGYLYVSTG-MCIONIFRSA-N 1 0 335.408 -1.255 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961927624 672041449 /nfs/dbraw/zinc/04/14/49/672041449.db2.gz IZKPEXGYLYVSTG-RDBSUJKOSA-N 1 0 335.408 -1.255 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1O ZINC000961928013 672041399 /nfs/dbraw/zinc/04/13/99/672041399.db2.gz LIZQXYANVCLXSR-MXWKQRLJSA-N 1 0 338.368 -2.234 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1O ZINC000961928015 672041235 /nfs/dbraw/zinc/04/12/35/672041235.db2.gz LIZQXYANVCLXSR-VWYCJHECSA-N 1 0 338.368 -2.234 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)cc1=O ZINC000961928062 672041356 /nfs/dbraw/zinc/04/13/56/672041356.db2.gz MGWOSCLCMFDFHM-MXWKQRLJSA-N 1 0 338.364 -1.626 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)cc1=O ZINC000961928063 672041153 /nfs/dbraw/zinc/04/11/53/672041153.db2.gz MGWOSCLCMFDFHM-VWYCJHECSA-N 1 0 338.364 -1.626 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1N ZINC000961928090 672041534 /nfs/dbraw/zinc/04/15/34/672041534.db2.gz NHZFBIRENVASTA-UTUOFQBUSA-N 1 0 336.396 -1.602 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1N ZINC000961928091 672041346 /nfs/dbraw/zinc/04/13/46/672041346.db2.gz NHZFBIRENVASTA-WOPDTQHZSA-N 1 0 336.396 -1.602 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)ncn1 ZINC000961928349 672041309 /nfs/dbraw/zinc/04/13/09/672041309.db2.gz PLEXDIXUYDPTAY-AGIUHOORSA-N 1 0 349.391 -1.119 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)ncn1 ZINC000961928350 672041491 /nfs/dbraw/zinc/04/14/91/672041491.db2.gz PLEXDIXUYDPTAY-UPJWGTAASA-N 1 0 349.391 -1.119 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC000961928404 672041439 /nfs/dbraw/zinc/04/14/39/672041439.db2.gz QCPDYDOFOCYPQS-AGIUHOORSA-N 1 0 349.391 -1.119 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC000961928405 672041416 /nfs/dbraw/zinc/04/14/16/672041416.db2.gz QCPDYDOFOCYPQS-UPJWGTAASA-N 1 0 349.391 -1.119 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961928408 672041383 /nfs/dbraw/zinc/04/13/83/672041383.db2.gz QFXYAOHJZGLSAT-MCIONIFRSA-N 1 0 335.408 -1.255 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961928409 672041460 /nfs/dbraw/zinc/04/14/60/672041460.db2.gz QFXYAOHJZGLSAT-RDBSUJKOSA-N 1 0 335.408 -1.255 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)nn1 ZINC000961928434 672041112 /nfs/dbraw/zinc/04/11/12/672041112.db2.gz QTQJLPFYXNBIHE-AGIUHOORSA-N 1 0 349.391 -1.119 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)nn1 ZINC000961928435 672041523 /nfs/dbraw/zinc/04/15/23/672041523.db2.gz QTQJLPFYXNBIHE-UPJWGTAASA-N 1 0 349.391 -1.119 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O ZINC000961928479 672041373 /nfs/dbraw/zinc/04/13/73/672041373.db2.gz RIBLKDUQCVOXEA-UTUOFQBUSA-N 1 0 337.384 -2.155 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O ZINC000961928480 672041483 /nfs/dbraw/zinc/04/14/83/672041483.db2.gz RIBLKDUQCVOXEA-WOPDTQHZSA-N 1 0 337.384 -2.155 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)[nH]1 ZINC000961928497 672041184 /nfs/dbraw/zinc/04/11/84/672041184.db2.gz RPAPYWZAPDJPKO-UTUOFQBUSA-N 1 0 336.396 -1.562 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)[nH]1 ZINC000961928500 672041466 /nfs/dbraw/zinc/04/14/66/672041466.db2.gz RPAPYWZAPDJPKO-WOPDTQHZSA-N 1 0 336.396 -1.562 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000961928604 672041428 /nfs/dbraw/zinc/04/14/28/672041428.db2.gz AMKXMUJISJANBO-DCQANWLSSA-N 1 0 336.392 -1.221 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000961928606 672041275 /nfs/dbraw/zinc/04/12/75/672041275.db2.gz AMKXMUJISJANBO-MEWQQHAOSA-N 1 0 336.392 -1.221 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000961928684 672041795 /nfs/dbraw/zinc/04/17/95/672041795.db2.gz CFSYCGVTZCFURT-IWIIMEHWSA-N 1 0 349.391 -2.168 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC000961928747 672041779 /nfs/dbraw/zinc/04/17/79/672041779.db2.gz TVUIHXSUPBGDJA-AGIUHOORSA-N 1 0 336.396 -1.306 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC000961928749 672041973 /nfs/dbraw/zinc/04/19/73/672041973.db2.gz TVUIHXSUPBGDJA-UPJWGTAASA-N 1 0 336.396 -1.306 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccc1=O ZINC000961928782 672041922 /nfs/dbraw/zinc/04/19/22/672041922.db2.gz UBGBKOQHGFDXET-MCIONIFRSA-N 1 0 348.403 -1.219 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccc1=O ZINC000961928784 672041937 /nfs/dbraw/zinc/04/19/37/672041937.db2.gz UBGBKOQHGFDXET-RDBSUJKOSA-N 1 0 348.403 -1.219 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC000961928795 672042176 /nfs/dbraw/zinc/04/21/76/672042176.db2.gz UCURRXDVCYSNPZ-MCIONIFRSA-N 1 0 335.408 -1.255 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC000961928797 672042138 /nfs/dbraw/zinc/04/21/38/672042138.db2.gz UCURRXDVCYSNPZ-RDBSUJKOSA-N 1 0 335.408 -1.255 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1=O ZINC000961928827 672041770 /nfs/dbraw/zinc/04/17/70/672041770.db2.gz UQWIPAXIASZVAJ-MCIONIFRSA-N 1 0 348.403 -1.219 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1=O ZINC000961928829 672041834 /nfs/dbraw/zinc/04/18/34/672041834.db2.gz UQWIPAXIASZVAJ-RDBSUJKOSA-N 1 0 348.403 -1.219 20 0 EAADRO 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Cn1ncnc1C[NH2+]CC1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC000962672305 672108133 /nfs/dbraw/zinc/10/81/33/672108133.db2.gz QHAUSNWKMNGXSJ-UHFFFAOYSA-N 1 0 334.380 -1.052 20 0 EAADRO Cn1nncc1C[NH2+]CC1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC000962672318 672108138 /nfs/dbraw/zinc/10/81/38/672108138.db2.gz QLDRGIOWDXELRJ-UHFFFAOYSA-N 1 0 334.380 -1.052 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC1CC(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000962672372 672108101 /nfs/dbraw/zinc/10/81/01/672108101.db2.gz QVFUZWKZJQBOMU-HTAVTVPLSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC1CC(C[NH2+][C@H]2CCCNC2=O)C1 ZINC000962672381 672108139 /nfs/dbraw/zinc/10/81/39/672108139.db2.gz QVFUZWKZJQBOMU-MCIGGMRASA-N 1 0 336.392 -1.102 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC1CC(C[NH2+][C@H]2CCCNC2=O)C1 ZINC000962672597 672108115 /nfs/dbraw/zinc/10/81/15/672108115.db2.gz SDFHIFXYDFNDMK-ILDUYXDCSA-N 1 0 346.391 -1.048 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC1CC(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000962672604 672108048 /nfs/dbraw/zinc/10/80/48/672108048.db2.gz 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EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)nn1 ZINC000962685401 672109137 /nfs/dbraw/zinc/10/91/37/672109137.db2.gz DACWBVGFRIRAOD-LOWVWBTDSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2O)nn1 ZINC000962685404 672109216 /nfs/dbraw/zinc/10/92/16/672109216.db2.gz DACWBVGFRIRAOD-WZRBSPASSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)nn1 ZINC000962686000 672109212 /nfs/dbraw/zinc/10/92/12/672109212.db2.gz GUAIYLGICIXLLX-YPMHNXCESA-N 1 0 348.407 -1.255 20 0 EAADRO CN1CC[C@H]([NH2+]CC2CC(NC(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC000962687093 672109070 /nfs/dbraw/zinc/10/90/70/672109070.db2.gz IMDMWKQQRKPHKT-CBINBANVSA-N 1 0 349.391 -1.185 20 0 EAADRO CN1CC[C@@H]([NH2+]CC2CC(NC(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC000962687094 672109025 /nfs/dbraw/zinc/10/90/25/672109025.db2.gz IMDMWKQQRKPHKT-RTYFJBAXSA-N 1 0 349.391 -1.185 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)o1 ZINC000962688066 672109437 /nfs/dbraw/zinc/10/94/37/672109437.db2.gz WTQJQTPBDGPYEH-UTUOFQBUSA-N 1 0 337.380 -1.297 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)o1 ZINC000962688068 672109529 /nfs/dbraw/zinc/10/95/29/672109529.db2.gz WTQJQTPBDGPYEH-WOPDTQHZSA-N 1 0 337.380 -1.297 20 0 EAADRO Cn1cc(C(=O)NC2CC(C[NH2+][C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC000962690033 672109504 /nfs/dbraw/zinc/10/95/04/672109504.db2.gz ALXMBGRJGFRUBJ-AMUVOQDHSA-N 1 0 335.364 -1.528 20 0 EAADRO Cn1cc(C(=O)NC2CC(C[NH2+][C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC000962690034 672109415 /nfs/dbraw/zinc/10/94/15/672109415.db2.gz ALXMBGRJGFRUBJ-NWGYLPEXSA-N 1 0 335.364 -1.528 20 0 EAADRO Cn1cnnc1C[NH2+]CC1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000962690069 672109500 /nfs/dbraw/zinc/10/95/00/672109500.db2.gz CKMACYDUVBJATM-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1cc(C[NH2+]CC2CC(NC(=O)c3cn(C)c(=O)[nH]c3=O)C2)nn1 ZINC000962690140 672109471 /nfs/dbraw/zinc/10/94/71/672109471.db2.gz DUXDNGFOEUSEPK-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)o1 ZINC000962690160 672109492 /nfs/dbraw/zinc/10/94/92/672109492.db2.gz CGZXCWPALOOLJS-NEPJUHHUSA-N 1 0 349.391 -1.296 20 0 EAADRO Cn1cc(C(=O)NC2CC(C[NH2+][C@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC000962690544 672109505 /nfs/dbraw/zinc/10/95/05/672109505.db2.gz FRXPXQXRBFQGPZ-CBINBANVSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1cc(C(=O)NC2CC(C[NH2+][C@@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC000962690553 672109515 /nfs/dbraw/zinc/10/95/15/672109515.db2.gz FRXPXQXRBFQGPZ-RTYFJBAXSA-N 1 0 349.391 -1.138 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1)[NH+](C)C ZINC000962690672 672109475 /nfs/dbraw/zinc/10/94/75/672109475.db2.gz FBHWTYHJVDYYRS-UTUOFQBUSA-N 1 0 339.396 -1.051 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1)[NH+](C)C ZINC000962690677 672109521 /nfs/dbraw/zinc/10/95/21/672109521.db2.gz FBHWTYHJVDYYRS-WOPDTQHZSA-N 1 0 339.396 -1.051 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000962691239 672109757 /nfs/dbraw/zinc/10/97/57/672109757.db2.gz LCELQQQUOKPXKK-UHFFFAOYSA-N 1 0 348.367 -1.692 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)nn1 ZINC000962691401 672109833 /nfs/dbraw/zinc/10/98/33/672109833.db2.gz JNWFNDWWXMFFRN-PWSUYJOCSA-N 1 0 334.380 -1.788 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@H]2O)nn1 ZINC000962691443 672109912 /nfs/dbraw/zinc/10/99/12/672109912.db2.gz KBWTVJCHSWMSMO-FFSVYQOJSA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2O)nn1 ZINC000962691479 672109813 /nfs/dbraw/zinc/10/98/13/672109813.db2.gz KPYPDWYWIOYEQH-YPMHNXCESA-N 1 0 347.379 -1.517 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2O)nn1 ZINC000962692158 672109831 /nfs/dbraw/zinc/10/98/31/672109831.db2.gz RAOMEUCEKKQVAS-BZPMIXESSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2O)nn1 ZINC000962692159 672109924 /nfs/dbraw/zinc/10/99/24/672109924.db2.gz RAOMEUCEKKQVAS-SCRDCRAPSA-N 1 0 348.407 -1.542 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC000962692743 672110217 /nfs/dbraw/zinc/11/02/17/672110217.db2.gz IAKJBHJHNZPILU-LOWVWBTDSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC000962692745 672110170 /nfs/dbraw/zinc/11/01/70/672110170.db2.gz IAKJBHJHNZPILU-WZRBSPASSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1nncc1C[NH2+]CC1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000962693010 672110126 /nfs/dbraw/zinc/11/01/26/672110126.db2.gz WFPYONLTRRZIIK-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1)[NH+](C)C ZINC000962693137 672110179 /nfs/dbraw/zinc/11/01/79/672110179.db2.gz ZJVSZIXTSMOJAI-KGYLQXTDSA-N 1 0 338.412 -1.297 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1)[NH+](C)C ZINC000962693140 672110202 /nfs/dbraw/zinc/11/02/02/672110202.db2.gz ZJVSZIXTSMOJAI-WXHSDQCUSA-N 1 0 338.412 -1.297 20 0 EAADRO Cn1ncnc1C[NH2+]CC1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000962693181 672110251 /nfs/dbraw/zinc/11/02/51/672110251.db2.gz ZGQFXHKPZGUZAM-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1ncc(C[NH2+]CC2CC(NC(=O)c3cn(C)c(=O)[nH]c3=O)C2)n1 ZINC000962693192 672110183 /nfs/dbraw/zinc/11/01/83/672110183.db2.gz ZJYRWOPHXPIPBW-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)nn1 ZINC000962693485 672110161 /nfs/dbraw/zinc/11/01/61/672110161.db2.gz KLGUHLAIFMKTRD-YPMHNXCESA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)nn1 ZINC000962693555 672110174 /nfs/dbraw/zinc/11/01/74/672110174.db2.gz LJMXRTLOIPPCFF-PWSUYJOCSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)nn1 ZINC000962694084 672110141 /nfs/dbraw/zinc/11/01/41/672110141.db2.gz OEYQVBRULJZPRL-YPMHNXCESA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2O)nn1 ZINC000962695589 672110598 /nfs/dbraw/zinc/11/05/98/672110598.db2.gz OSXSHLXLZGGBFT-RTXFEEFZSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2O)nn1 ZINC000962695591 672110609 /nfs/dbraw/zinc/11/06/09/672110609.db2.gz OSXSHLXLZGGBFT-WXHSDQCUSA-N 1 0 336.396 -1.399 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962697297 672110546 /nfs/dbraw/zinc/11/05/46/672110546.db2.gz FMYPHOLUWQQDQI-OHBODLIOSA-N 1 0 331.376 -1.025 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962697298 672110573 /nfs/dbraw/zinc/11/05/73/672110573.db2.gz FMYPHOLUWQQDQI-YJQGPUDQSA-N 1 0 331.376 -1.025 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)o1 ZINC000962697499 672110515 /nfs/dbraw/zinc/11/05/15/672110515.db2.gz FSWYUAQLEKQTOC-NEPJUHHUSA-N 1 0 337.380 -1.296 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)o1 ZINC000962698469 672110940 /nfs/dbraw/zinc/11/09/40/672110940.db2.gz ODOVJMJQVDKCPK-TUAOUCFPSA-N 1 0 337.380 -1.440 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)o1 ZINC000962698470 672110958 /nfs/dbraw/zinc/11/09/58/672110958.db2.gz ODOVJMJQVDKCPK-UTUOFQBUSA-N 1 0 337.380 -1.440 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2O)nn1 ZINC000962708204 672111007 /nfs/dbraw/zinc/11/10/07/672111007.db2.gz AZFFFGXVPVFXAS-KGYLQXTDSA-N 1 0 336.396 -1.543 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2O)nn1 ZINC000962708206 672110929 /nfs/dbraw/zinc/11/09/29/672110929.db2.gz AZFFFGXVPVFXAS-WXHSDQCUSA-N 1 0 336.396 -1.543 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)n1 ZINC000962709143 672110988 /nfs/dbraw/zinc/11/09/88/672110988.db2.gz FFLBCYHHNIJYIE-NEPJUHHUSA-N 1 0 348.407 -1.255 20 0 EAADRO NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962709662 672111392 /nfs/dbraw/zinc/11/13/92/672111392.db2.gz ZMRXHTLGUZQPKY-WHOHXGKFSA-N 1 0 329.360 -1.271 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)C1 ZINC000962710475 672111340 /nfs/dbraw/zinc/11/13/40/672111340.db2.gz MRFRQWYWGWLKTR-LOWVWBTDSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)C1 ZINC000962710479 672111261 /nfs/dbraw/zinc/11/12/61/672111261.db2.gz MRFRQWYWGWLKTR-WZRBSPASSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000962712397 672111508 /nfs/dbraw/zinc/11/15/08/672111508.db2.gz VOXKNAFSTJZHHV-TUAOUCFPSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000962712398 672111655 /nfs/dbraw/zinc/11/16/55/672111655.db2.gz VOXKNAFSTJZHHV-UTUOFQBUSA-N 1 0 336.396 -1.542 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1)[NH+](C)C ZINC000962715445 672112041 /nfs/dbraw/zinc/11/20/41/672112041.db2.gz IBLXVSPLSUJBQO-UPJWGTAASA-N 1 0 338.412 -1.060 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)n1 ZINC000962715529 672112007 /nfs/dbraw/zinc/11/20/07/672112007.db2.gz ATVXPQHOBJXGON-MNOVXSKESA-N 1 0 334.380 -1.788 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@H]2O)n1 ZINC000962715593 672111865 /nfs/dbraw/zinc/11/18/65/672111865.db2.gz CSGIYEZIDMBTDU-WQGACYEGSA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2O)n1 ZINC000962716210 672112016 /nfs/dbraw/zinc/11/20/16/672112016.db2.gz FQSFKXSUBUACGG-UPJWGTAASA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2O)n1 ZINC000962716213 672111889 /nfs/dbraw/zinc/11/18/89/672111889.db2.gz FQSFKXSUBUACGG-XQQFMLRXSA-N 1 0 348.407 -1.542 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2O)n1 ZINC000962716526 672111945 /nfs/dbraw/zinc/11/19/45/672111945.db2.gz MFHFKKPCJKSJJS-NEPJUHHUSA-N 1 0 333.352 -1.504 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2O)n1 ZINC000962716623 672111979 /nfs/dbraw/zinc/11/19/79/672111979.db2.gz JRWSVYDGAKZHTM-NEPJUHHUSA-N 1 0 347.379 -1.517 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)CC[N@@H+]1C ZINC000962716888 672111971 /nfs/dbraw/zinc/11/19/71/672111971.db2.gz FADPCEKHJSXHQE-KKOKHZNYSA-N 1 0 336.396 -1.543 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)n1 ZINC000962717352 672112241 /nfs/dbraw/zinc/11/22/41/672112241.db2.gz QVHWMZBNNAINTL-UPJWGTAASA-N 1 0 336.396 -1.306 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)n1 ZINC000962717461 672112156 /nfs/dbraw/zinc/11/21/56/672112156.db2.gz MFECYJRQTSENMY-NEPJUHHUSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)CC[N@@H+]1C ZINC000962718161 672112200 /nfs/dbraw/zinc/11/22/00/672112200.db2.gz TYSFSRNCOHMIMB-UZWSLXQKSA-N 1 0 336.396 -1.543 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1)[NH+](C)C ZINC000962718546 672112316 /nfs/dbraw/zinc/11/23/16/672112316.db2.gz QKUGJTNMYBFYJE-GRYCIOLGSA-N 1 0 338.412 -1.297 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1)[NH+](C)C ZINC000962718547 672112222 /nfs/dbraw/zinc/11/22/22/672112222.db2.gz QKUGJTNMYBFYJE-WOPDTQHZSA-N 1 0 338.412 -1.297 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)n1 ZINC000962719911 672112538 /nfs/dbraw/zinc/11/25/38/672112538.db2.gz ZNJFHJAVPJVPNB-MNOVXSKESA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2O)n1 ZINC000962720157 672112743 /nfs/dbraw/zinc/11/27/43/672112743.db2.gz FYBSIFLJCPLNKP-GRYCIOLGSA-N 1 0 336.396 -1.543 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2O)n1 ZINC000962720158 672112631 /nfs/dbraw/zinc/11/26/31/672112631.db2.gz FYBSIFLJCPLNKP-WOPDTQHZSA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)C1 ZINC000962721013 672112545 /nfs/dbraw/zinc/11/25/45/672112545.db2.gz KQKPAOMKBJXHNN-TUAOUCFPSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)C1 ZINC000962721016 672112473 /nfs/dbraw/zinc/11/24/73/672112473.db2.gz KQKPAOMKBJXHNN-UTUOFQBUSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC000962721098 672112752 /nfs/dbraw/zinc/11/27/52/672112752.db2.gz LDKXTYNWMFWMDW-TUAOUCFPSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC000962721099 672112609 /nfs/dbraw/zinc/11/26/09/672112609.db2.gz LDKXTYNWMFWMDW-UTUOFQBUSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)n1 ZINC000962723693 672113015 /nfs/dbraw/zinc/11/30/15/672113015.db2.gz QCKCQFHHQLFEIQ-NEPJUHHUSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2O)n1 ZINC000962724034 672113445 /nfs/dbraw/zinc/11/34/45/672113445.db2.gz UQBMWHIQSFPCGQ-UTUOFQBUSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2O)n1 ZINC000962724035 672113287 /nfs/dbraw/zinc/11/32/87/672113287.db2.gz UQBMWHIQSFPCGQ-WOPDTQHZSA-N 1 0 336.396 -1.399 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC000962724854 672113272 /nfs/dbraw/zinc/11/32/72/672113272.db2.gz CFXXYKSANUCGKG-FJJYHAOUSA-N 1 0 332.408 -1.025 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC000962724866 672113432 /nfs/dbraw/zinc/11/34/32/672113432.db2.gz CFXXYKSANUCGKG-UUIJZJDISA-N 1 0 332.408 -1.025 20 0 EAADRO Cn1[nH]c(C[NH2+]CC2CC(NC(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC000962725435 672113377 /nfs/dbraw/zinc/11/33/77/672113377.db2.gz WDBMUNOGXFNDIT-UHFFFAOYSA-N 1 0 347.379 -1.166 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000962725446 672113488 /nfs/dbraw/zinc/11/34/88/672113488.db2.gz WKRDOZFIBBYHGO-UHFFFAOYSA-N 1 0 332.368 -1.065 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)n1 ZINC000962737620 672113414 /nfs/dbraw/zinc/11/34/14/672113414.db2.gz CXOGTAFZPZCNPU-OLZOCXBDSA-N 1 0 348.407 -1.305 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1)[NH+](C)C ZINC000962737954 672113298 /nfs/dbraw/zinc/11/32/98/672113298.db2.gz IBLXVSPLSUJBQO-AGIUHOORSA-N 1 0 338.412 -1.060 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2O)n1 ZINC000962738725 672113791 /nfs/dbraw/zinc/11/37/91/672113791.db2.gz QVHWMZBNNAINTL-AGIUHOORSA-N 1 0 336.396 -1.306 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000962739700 672114245 /nfs/dbraw/zinc/11/42/45/672114245.db2.gz HVPWQCHUUOZGLV-MDZLAQPJSA-N 1 0 336.396 -1.306 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000962739702 672114217 /nfs/dbraw/zinc/11/42/17/672114217.db2.gz HVPWQCHUUOZGLV-WZRBSPASSA-N 1 0 336.396 -1.306 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000962739876 672114225 /nfs/dbraw/zinc/11/42/25/672114225.db2.gz GYPUGLRWOHDNEO-RTXFEEFZSA-N 1 0 336.396 -1.449 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000962739877 672114166 /nfs/dbraw/zinc/11/41/66/672114166.db2.gz GYPUGLRWOHDNEO-UHTWSYAYSA-N 1 0 336.396 -1.449 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)n1 ZINC000962741084 672114156 /nfs/dbraw/zinc/11/41/56/672114156.db2.gz PORLMNGJMQUYHN-OLZOCXBDSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000962741360 672114565 /nfs/dbraw/zinc/11/45/65/672114565.db2.gz AAIYUMSFRNMAFM-YPMHNXCESA-N 1 0 348.407 -1.305 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnnn2CC)[C@@H](O)C1)[NH+](C)C ZINC000962742887 672114598 /nfs/dbraw/zinc/11/45/98/672114598.db2.gz SWWXYRQGFJHRGE-MDZLAQPJSA-N 1 0 338.412 -1.060 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)c2cnnn2CC)[C@@H](O)C1)[NH+](C)C ZINC000962742888 672114487 /nfs/dbraw/zinc/11/44/87/672114487.db2.gz SWWXYRQGFJHRGE-WZRBSPASSA-N 1 0 338.412 -1.060 20 0 EAADRO Cc1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC000962743850 672115008 /nfs/dbraw/zinc/11/50/08/672115008.db2.gz BLGXPWXAMLHQIW-ILDUYXDCSA-N 1 0 342.425 -1.211 20 0 EAADRO Cc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC000962743851 672114954 /nfs/dbraw/zinc/11/49/54/672114954.db2.gz BLGXPWXAMLHQIW-VQXHTEKXSA-N 1 0 342.425 -1.211 20 0 EAADRO Cn1nncc1C[NH2+]CC1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000962743905 672114911 /nfs/dbraw/zinc/11/49/11/672114911.db2.gz DONSBQIVBADPAI-CBINBANVSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1nncc1C[NH2+]CC1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000962743906 672114902 /nfs/dbraw/zinc/11/49/02/672114902.db2.gz DONSBQIVBADPAI-RTYFJBAXSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncnc1C[NH2+]CC1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000962744112 672114878 /nfs/dbraw/zinc/11/48/78/672114878.db2.gz JNLRLUJXNRPVSZ-ILDUYXDCSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncnc1C[NH2+]CC1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000962744113 672114987 /nfs/dbraw/zinc/11/49/87/672114987.db2.gz JNLRLUJXNRPVSZ-VQXHTEKXSA-N 1 0 342.425 -1.509 20 0 EAADRO O=C(NC1CC(C[NH2+]Cc2cnon2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000962744160 672114944 /nfs/dbraw/zinc/11/49/44/672114944.db2.gz KXEBDGJWYOKNMT-AMUVOQDHSA-N 1 0 329.382 -1.254 20 0 EAADRO O=C(NC1CC(C[NH2+]Cc2cnon2)C1)[C@H]1CCS(=O)(=O)N1 ZINC000962744161 672114990 /nfs/dbraw/zinc/11/49/90/672114990.db2.gz KXEBDGJWYOKNMT-NWGYLPEXSA-N 1 0 329.382 -1.254 20 0 EAADRO Cn1ncc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC000962744162 672114845 /nfs/dbraw/zinc/11/48/45/672114845.db2.gz LBAJDMYMOKEEPN-CBINBANVSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncc(C[NH2+]CC2CC(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC000962744163 672114912 /nfs/dbraw/zinc/11/49/12/672114912.db2.gz LBAJDMYMOKEEPN-RTYFJBAXSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000962744315 672115021 /nfs/dbraw/zinc/11/50/21/672115021.db2.gz MKTZUSDOJFSQQN-RTBKNWGFSA-N 1 0 343.413 -2.114 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000962744316 672114983 /nfs/dbraw/zinc/11/49/83/672114983.db2.gz MKTZUSDOJFSQQN-UDNWOFFPSA-N 1 0 343.413 -2.114 20 0 EAADRO Cn1cc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC000962744367 672114939 /nfs/dbraw/zinc/11/49/39/672114939.db2.gz OJJUCECDTWRCQH-CBINBANVSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cc(C[NH2+]CC2CC(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC000962744368 672114972 /nfs/dbraw/zinc/11/49/72/672114972.db2.gz OJJUCECDTWRCQH-RTYFJBAXSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cnnc1C[NH2+]CC1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000962744389 672114994 /nfs/dbraw/zinc/11/49/94/672114994.db2.gz PKRWJEUMDRCUSS-ILDUYXDCSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cnnc1C[NH2+]CC1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000962744390 672114923 /nfs/dbraw/zinc/11/49/23/672114923.db2.gz PKRWJEUMDRCUSS-VQXHTEKXSA-N 1 0 342.425 -1.509 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000962747408 672114976 /nfs/dbraw/zinc/11/49/76/672114976.db2.gz HYUWVVHQHMYKTQ-YPMHNXCESA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000962747679 672114915 /nfs/dbraw/zinc/11/49/15/672114915.db2.gz KCDDYDYOMLLWCU-LOWVWBTDSA-N 1 0 336.396 -1.449 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000962747680 672114968 /nfs/dbraw/zinc/11/49/68/672114968.db2.gz KCDDYDYOMLLWCU-WZRBSPASSA-N 1 0 336.396 -1.449 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)nn1 ZINC000962757067 672115324 /nfs/dbraw/zinc/11/53/24/672115324.db2.gz CEKGGSHBMOSLLV-KZWBYHQPSA-N 1 0 334.380 -1.540 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)nn1 ZINC000962757068 672115369 /nfs/dbraw/zinc/11/53/69/672115369.db2.gz CEKGGSHBMOSLLV-PUHVVEEASA-N 1 0 334.380 -1.540 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000962757435 672115384 /nfs/dbraw/zinc/11/53/84/672115384.db2.gz WFUPJHUKASORRP-ILDUYXDCSA-N 1 0 342.425 -1.228 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000962757436 672115353 /nfs/dbraw/zinc/11/53/53/672115353.db2.gz WFUPJHUKASORRP-VQXHTEKXSA-N 1 0 342.425 -1.228 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]32)nn1 ZINC000962759433 672115630 /nfs/dbraw/zinc/11/56/30/672115630.db2.gz DFMIVNFWYQJQRX-FJJYHAOUSA-N 1 0 348.407 -1.008 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]32)nn1 ZINC000962759439 672115593 /nfs/dbraw/zinc/11/55/93/672115593.db2.gz DFMIVNFWYQJQRX-UUIJZJDISA-N 1 0 348.407 -1.008 20 0 EAADRO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC000962759539 672115666 /nfs/dbraw/zinc/11/56/66/672115666.db2.gz DQYCIFIIJXECMC-IZWKTGJZSA-N 1 0 347.379 -2.346 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC000962759561 672115575 /nfs/dbraw/zinc/11/55/75/672115575.db2.gz DQYCIFIIJXECMC-PFWNZEGQSA-N 1 0 347.379 -2.346 20 0 EAADRO Cc1ncoc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962760067 672115712 /nfs/dbraw/zinc/11/57/12/672115712.db2.gz FPDSMCKNDFGVJU-MSRIBSCDSA-N 1 0 345.363 -1.080 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)nn1 ZINC000962760741 672115691 /nfs/dbraw/zinc/11/56/91/672115691.db2.gz HHZZKTYICMELAY-JYAVWHMHSA-N 1 0 348.407 -1.150 20 0 EAADRO CCN1CCO[C@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C)C2)C1 ZINC000962762146 672115634 /nfs/dbraw/zinc/11/56/34/672115634.db2.gz YDQPZYFMHJZCPL-BPCQOVAHSA-N 1 0 337.428 -1.085 20 0 EAADRO CCN1CCO[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C)C2)C1 ZINC000962762149 672116030 /nfs/dbraw/zinc/11/60/30/672116030.db2.gz YDQPZYFMHJZCPL-WXRRBKDZSA-N 1 0 337.428 -1.085 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)nn1 ZINC000962762487 672115987 /nfs/dbraw/zinc/11/59/87/672115987.db2.gz LVXSITQOVRNSRE-JYAVWHMHSA-N 1 0 348.407 -1.008 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]32)nn1 ZINC000962762514 672116018 /nfs/dbraw/zinc/11/60/18/672116018.db2.gz LWEBUWQROMWAKB-FJJYHAOUSA-N 1 0 348.407 -1.008 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]32)nn1 ZINC000962762525 672115984 /nfs/dbraw/zinc/11/59/84/672115984.db2.gz LWEBUWQROMWAKB-UUIJZJDISA-N 1 0 348.407 -1.008 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1)OC ZINC000962764154 672116047 /nfs/dbraw/zinc/11/60/47/672116047.db2.gz PHBYOXXQCFBDFB-KZWBYHQPSA-N 1 0 336.396 -1.152 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1)OC ZINC000962764157 672115967 /nfs/dbraw/zinc/11/59/67/672115967.db2.gz PHBYOXXQCFBDFB-PUHVVEEASA-N 1 0 336.396 -1.152 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962765257 672115999 /nfs/dbraw/zinc/11/59/99/672115999.db2.gz QJZGFMCPUFKPBE-DNJQJEMRSA-N 1 0 349.395 -2.100 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962765262 672116039 /nfs/dbraw/zinc/11/60/39/672116039.db2.gz QJZGFMCPUFKPBE-QISWUMQESA-N 1 0 349.395 -2.100 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962766370 672115959 /nfs/dbraw/zinc/11/59/59/672115959.db2.gz UITDKXKBBNJBNK-CCCLYZFWSA-N 1 0 335.368 -2.313 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962766373 672116080 /nfs/dbraw/zinc/11/60/80/672116080.db2.gz UITDKXKBBNJBNK-RBPQBLHMSA-N 1 0 335.368 -2.313 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962767136 672115976 /nfs/dbraw/zinc/11/59/76/672115976.db2.gz VVTBBRLDILDQJY-APOZVJGGSA-N 1 0 335.368 -2.442 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962767139 672116051 /nfs/dbraw/zinc/11/60/51/672116051.db2.gz VVTBBRLDILDQJY-XBWDGYHZSA-N 1 0 335.368 -2.442 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)nn1 ZINC000962768164 672116023 /nfs/dbraw/zinc/11/60/23/672116023.db2.gz WVILWLAMUDQGLV-YABSGUDNSA-N 1 0 344.379 -1.680 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]32)nn1 ZINC000962768427 672116009 /nfs/dbraw/zinc/11/60/09/672116009.db2.gz YBYYCMFFDZOLDE-FJJYHAOUSA-N 1 0 348.407 -1.150 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]32)nn1 ZINC000962768976 672116003 /nfs/dbraw/zinc/11/60/03/672116003.db2.gz YBYYCMFFDZOLDE-UUIJZJDISA-N 1 0 348.407 -1.150 20 0 EAADRO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC000962769185 672115615 /nfs/dbraw/zinc/11/56/15/672115615.db2.gz DGWWMYJNLOJDPK-YABSGUDNSA-N 1 0 344.379 -1.643 20 0 EAADRO Cn1nccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962769194 672116374 /nfs/dbraw/zinc/11/63/74/672116374.db2.gz DOGSSMQBSZRQFX-YABSGUDNSA-N 1 0 344.379 -1.643 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]32)nn1 ZINC000962769939 672116395 /nfs/dbraw/zinc/11/63/95/672116395.db2.gz FVJJELJZYOXIOX-FJJYHAOUSA-N 1 0 348.407 -1.150 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]32)nn1 ZINC000962769942 672116401 /nfs/dbraw/zinc/11/64/01/672116401.db2.gz FVJJELJZYOXIOX-UUIJZJDISA-N 1 0 348.407 -1.150 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC000962777579 672116424 /nfs/dbraw/zinc/11/64/24/672116424.db2.gz PIISGDYIUCLMPJ-CCCLYZFWSA-N 1 0 333.352 -2.688 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC000962777590 672116355 /nfs/dbraw/zinc/11/63/55/672116355.db2.gz PIISGDYIUCLMPJ-RBPQBLHMSA-N 1 0 333.352 -2.688 20 0 EAADRO Cn1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)nn1 ZINC000962781640 672116761 /nfs/dbraw/zinc/11/67/61/672116761.db2.gz UMJIUJMRUIGEKY-IWIIMEHWSA-N 1 0 345.367 -2.248 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)nn1 ZINC000962784724 672116768 /nfs/dbraw/zinc/11/67/68/672116768.db2.gz YRDNLESFGMBLDD-IZWKTGJZSA-N 1 0 347.379 -2.298 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)nn1 ZINC000962784727 672116777 /nfs/dbraw/zinc/11/67/77/672116777.db2.gz YRDNLESFGMBLDD-PFWNZEGQSA-N 1 0 347.379 -2.298 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962807274 672117466 /nfs/dbraw/zinc/11/74/66/672117466.db2.gz BSZFIVODWFXHSC-UHFFFAOYSA-N 1 0 348.371 -2.415 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC(C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC000962807318 672117488 /nfs/dbraw/zinc/11/74/88/672117488.db2.gz CJMOFMJHBMTJIT-RTBKNWGFSA-N 1 0 335.368 -2.250 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC(C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC000962807320 672117417 /nfs/dbraw/zinc/11/74/17/672117417.db2.gz CJMOFMJHBMTJIT-UDNWOFFPSA-N 1 0 335.368 -2.250 20 0 EAADRO Cn1ccnc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962807357 672117537 /nfs/dbraw/zinc/11/75/37/672117537.db2.gz DFJQJVYZYVAJMR-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1ncnc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962808048 672117470 /nfs/dbraw/zinc/11/74/70/672117470.db2.gz HMNUNXWYRIRXMJ-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1cnnc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962808059 672117511 /nfs/dbraw/zinc/11/75/11/672117511.db2.gz HRQJVVJUNYVWPG-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1ccc(C[NH2+]CC2CC(NC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC000962808164 672117549 /nfs/dbraw/zinc/11/75/49/672117549.db2.gz JOPVZVDWKSIKQI-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1cc(C[NH2+]CC2CC(NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC000962808721 672117474 /nfs/dbraw/zinc/11/74/74/672117474.db2.gz ODVXTCOLWHMORN-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC(C[NH2+]Cc3ncccn3)C2)nn1 ZINC000962808762 672117816 /nfs/dbraw/zinc/11/78/16/672117816.db2.gz PPDWVLSDPOEIGI-UHFFFAOYSA-N 1 0 344.379 -1.148 20 0 EAADRO Cn1ncc(C[NH2+]CC2CC(NC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC000962808764 672117764 /nfs/dbraw/zinc/11/77/64/672117764.db2.gz PSFFIAGGJKBNKC-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cc1nonc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962808777 672117830 /nfs/dbraw/zinc/11/78/30/672117830.db2.gz QDHPQHJYGLDMRV-UHFFFAOYSA-N 1 0 348.367 -1.247 20 0 EAADRO Cn1nncc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962809739 672117796 /nfs/dbraw/zinc/11/77/96/672117796.db2.gz SJPZDDGZWYPGHI-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1nccc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962810289 672117824 /nfs/dbraw/zinc/11/78/24/672117824.db2.gz XIQMUYABVHKWOE-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC(C[NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC000962810357 672117739 /nfs/dbraw/zinc/11/77/39/672117739.db2.gz YPILBGPXYUQQRJ-ILDUYXDCSA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC(C[NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC000962810360 672117743 /nfs/dbraw/zinc/11/77/43/672117743.db2.gz YPILBGPXYUQQRJ-VQXHTEKXSA-N 1 0 349.395 -1.860 20 0 EAADRO Cn1cncc1C[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000962810373 672117757 /nfs/dbraw/zinc/11/77/57/672117757.db2.gz YSPCCKKHNCCCSU-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)nn1 ZINC000962810405 672117778 /nfs/dbraw/zinc/11/77/78/672117778.db2.gz CCNVVUFCDQFSIO-YABSGUDNSA-N 1 0 336.396 -1.591 20 0 EAADRO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000962811097 672117872 /nfs/dbraw/zinc/11/78/72/672117872.db2.gz FRUOHIBJFRMIBI-YABSGUDNSA-N 1 0 336.396 -1.327 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000962812182 672117810 /nfs/dbraw/zinc/11/78/10/672117810.db2.gz JKNMMOGDVNHNPF-KZWBYHQPSA-N 1 0 336.396 -1.593 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000962812183 672117866 /nfs/dbraw/zinc/11/78/66/672117866.db2.gz JKNMMOGDVNHNPF-PUHVVEEASA-N 1 0 336.396 -1.593 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CCC1=O ZINC000962822267 672118369 /nfs/dbraw/zinc/11/83/69/672118369.db2.gz RTFIYKZJWUNINP-CXTNEJHOSA-N 1 0 349.435 -1.074 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CCC1=O ZINC000962822269 672118502 /nfs/dbraw/zinc/11/85/02/672118502.db2.gz RTFIYKZJWUNINP-RMRHIDDWSA-N 1 0 349.435 -1.074 20 0 EAADRO Cn1cc(C(=O)NC2CC(C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC000962828495 672118813 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672119692 /nfs/dbraw/zinc/11/96/92/672119692.db2.gz SUAOOMFHJAFLPO-UHFFFAOYSA-N 1 0 334.340 -1.555 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC(C[NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC000962835272 672119758 /nfs/dbraw/zinc/11/97/58/672119758.db2.gz YYXQSKBUYVCKRK-UNXYVOJBSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC(C[NH2+]C[C@H]3CCOC3)C2)nn1 ZINC000962835274 672119592 /nfs/dbraw/zinc/11/95/92/672119592.db2.gz YYXQSKBUYVCKRK-VOMCLLRMSA-N 1 0 336.396 -1.102 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)n(C)c1=O ZINC000962850799 672120125 /nfs/dbraw/zinc/12/01/25/672120125.db2.gz GMVNMNAYMNYDHC-COMAGPEQSA-N 1 0 347.375 -1.811 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)n(C)c1=O ZINC000962850801 672120181 /nfs/dbraw/zinc/12/01/81/672120181.db2.gz GMVNMNAYMNYDHC-MPXOCVNLSA-N 1 0 347.375 -1.811 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)n(C)c1=O ZINC000962850877 672120163 /nfs/dbraw/zinc/12/01/63/672120163.db2.gz HDUCWSYBQKKPCK-PJXYFTJBSA-N 1 0 348.407 -1.591 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962851495 672120116 /nfs/dbraw/zinc/12/01/16/672120116.db2.gz IZRFXZMQGHLZSE-DCQANWLSSA-N 1 0 335.408 -1.140 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962851500 672120434 /nfs/dbraw/zinc/12/04/34/672120434.db2.gz IZRFXZMQGHLZSE-MEWQQHAOSA-N 1 0 335.408 -1.140 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)n(C)c1=O ZINC000962851984 672120567 /nfs/dbraw/zinc/12/05/67/672120567.db2.gz KLLPIHCJVWFVTQ-SRRSOLGSSA-N 1 0 333.392 -1.338 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)n(C)c1=O ZINC000962851986 672120412 /nfs/dbraw/zinc/12/04/12/672120412.db2.gz KLLPIHCJVWFVTQ-XZUYRWCXSA-N 1 0 333.392 -1.338 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n(C)c1=O ZINC000962852044 672120535 /nfs/dbraw/zinc/12/05/35/672120535.db2.gz KVYUJSXYUKNAHT-SRRSOLGSSA-N 1 0 333.392 -1.386 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n(C)c1=O ZINC000962852046 672120439 /nfs/dbraw/zinc/12/04/39/672120439.db2.gz KVYUJSXYUKNAHT-XZUYRWCXSA-N 1 0 333.392 -1.386 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)n(C)c1=O ZINC000962854831 672120423 /nfs/dbraw/zinc/12/04/23/672120423.db2.gz RIWALFUTBFDAEP-PJXYFTJBSA-N 1 0 331.380 -1.325 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n(C)c1=O ZINC000962855341 672120580 /nfs/dbraw/zinc/12/05/80/672120580.db2.gz RUCBLHXHBXQSQR-YABSGUDNSA-N 1 0 333.392 -1.384 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000962856161 672120502 /nfs/dbraw/zinc/12/05/02/672120502.db2.gz FNCRCQCMLVQSGI-UTUOFQBUSA-N 1 0 338.412 -1.316 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000962856162 672120453 /nfs/dbraw/zinc/12/04/53/672120453.db2.gz FNCRCQCMLVQSGI-WOPDTQHZSA-N 1 0 338.412 -1.316 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)[nH]1 ZINC000962860459 672120856 /nfs/dbraw/zinc/12/08/56/672120856.db2.gz YVEZSBOMRWOUON-NEPJUHHUSA-N 1 0 348.407 -1.561 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)[nH]1 ZINC000962877086 672121503 /nfs/dbraw/zinc/12/15/03/672121503.db2.gz GXZCNNKBHXEQSY-TUAOUCFPSA-N 1 0 336.396 -1.705 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)[nH]1 ZINC000962877087 672121702 /nfs/dbraw/zinc/12/17/02/672121702.db2.gz GXZCNNKBHXEQSY-UTUOFQBUSA-N 1 0 336.396 -1.705 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2O)[nH]1 ZINC000962878887 672121987 /nfs/dbraw/zinc/12/19/87/672121987.db2.gz OFDOXOJGPYGCON-NEPJUHHUSA-N 1 0 347.379 -1.370 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)[nH]1 ZINC000962879898 672122060 /nfs/dbraw/zinc/12/20/60/672122060.db2.gz TZCMOPBUTJEDFB-NEPJUHHUSA-N 1 0 336.396 -1.561 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2O)[nH]1 ZINC000962881044 672122375 /nfs/dbraw/zinc/12/23/75/672122375.db2.gz YOUMRFSYUWXXBD-MNOVXSKESA-N 1 0 333.352 -1.760 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1)[NH+](C)C ZINC000962884572 672122622 /nfs/dbraw/zinc/12/26/22/672122622.db2.gz STJUECRCZVUOTE-MCIONIFRSA-N 1 0 337.424 -1.009 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)n1 ZINC000962884735 672122755 /nfs/dbraw/zinc/12/27/55/672122755.db2.gz VHUOLOYPXPDXSU-CABCVRRESA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)n1 ZINC000962885461 672122649 /nfs/dbraw/zinc/12/26/49/672122649.db2.gz XAJSGXWYWJHWKT-MCIONIFRSA-N 1 0 335.408 -1.255 20 0 EAADRO Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000962893245 672122993 /nfs/dbraw/zinc/12/29/93/672122993.db2.gz CHEDPSOTWCHRRI-UPJWGTAASA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000962893246 672123059 /nfs/dbraw/zinc/12/30/59/672123059.db2.gz CHEDPSOTWCHRRI-XQQFMLRXSA-N 1 0 335.408 -1.018 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000962901046 672123364 /nfs/dbraw/zinc/12/33/64/672123364.db2.gz RXDDSIPYNZPLHL-ILDUYXDCSA-N 1 0 336.400 -1.262 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)n1 ZINC000962902984 672123312 /nfs/dbraw/zinc/12/33/12/672123312.db2.gz BQQRGTMCHRGXNQ-KGLIPLIRSA-N 1 0 347.419 -1.254 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000962903097 672123413 /nfs/dbraw/zinc/12/34/13/672123413.db2.gz DOVPELCNBHUACK-CFVMTHIKSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000962903099 672123329 /nfs/dbraw/zinc/12/33/29/672123329.db2.gz DOVPELCNBHUACK-YUELXQCFSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)n1 ZINC000962905025 672123630 /nfs/dbraw/zinc/12/36/30/672123630.db2.gz 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Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccc1=O ZINC000963422264 672138918 /nfs/dbraw/zinc/13/89/18/672138918.db2.gz VUKGZGYXXCSXIE-BNOWGMLFSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccc1=O ZINC000963422267 672138947 /nfs/dbraw/zinc/13/89/47/672138947.db2.gz VUKGZGYXXCSXIE-YUTCNCBUSA-N 1 0 348.403 -1.362 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)nc1 ZINC000963422311 672139149 /nfs/dbraw/zinc/13/91/49/672139149.db2.gz WFHRSLPYEQDTBV-RTXFEEFZSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)nc1 ZINC000963422313 672138888 /nfs/dbraw/zinc/13/88/88/672138888.db2.gz WFHRSLPYEQDTBV-UHTWSYAYSA-N 1 0 349.391 -1.262 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]c1=O ZINC000963422518 672139009 /nfs/dbraw/zinc/13/90/09/672139009.db2.gz WSATXUWCTSQKGJ-FOGDFJRCSA-N 1 0 337.380 -1.621 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]c1=O ZINC000963422520 672139075 /nfs/dbraw/zinc/13/90/75/672139075.db2.gz WSATXUWCTSQKGJ-UMNHJUIQSA-N 1 0 337.380 -1.621 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cn1 ZINC000963422580 672139487 /nfs/dbraw/zinc/13/94/87/672139487.db2.gz XNIICQDNOATLCB-RTXFEEFZSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cn1 ZINC000963422581 672139551 /nfs/dbraw/zinc/13/95/51/672139551.db2.gz XNIICQDNOATLCB-UHTWSYAYSA-N 1 0 349.391 -1.262 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2O)C1 ZINC000963422598 672139507 /nfs/dbraw/zinc/13/95/07/672139507.db2.gz YFWVXKLGKNOCMP-JLLWLGSASA-N 1 0 345.421 -2.329 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2O)C1 ZINC000963422599 672139393 /nfs/dbraw/zinc/13/93/93/672139393.db2.gz YFWVXKLGKNOCMP-WCQGTBRESA-N 1 0 345.421 -2.329 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2O)C1 ZINC000963422745 672139405 /nfs/dbraw/zinc/13/94/05/672139405.db2.gz ZUEQYLJJPWASGO-TUAOUCFPSA-N 1 0 337.384 -2.297 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2O)C1 ZINC000963422746 672139474 /nfs/dbraw/zinc/13/94/74/672139474.db2.gz ZUEQYLJJPWASGO-UTUOFQBUSA-N 1 0 337.384 -2.297 20 0 EAADRO CN(C(=O)CN1CCOCC1=O)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963432276 672139483 /nfs/dbraw/zinc/13/94/83/672139483.db2.gz HITCVUKYQFWYSL-UHFFFAOYSA-N 1 0 326.397 -1.310 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O ZINC000963450796 672139854 /nfs/dbraw/zinc/13/98/54/672139854.db2.gz ABEPJQUQEMPADT-KGLIPLIRSA-N 1 0 334.376 -1.283 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)nnn1C ZINC000963450847 672139929 /nfs/dbraw/zinc/13/99/29/672139929.db2.gz AMFYZSGCGDDIPV-NEPJUHHUSA-N 1 0 336.396 -1.479 20 0 EAADRO Nc1nccnc1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963450858 672139903 /nfs/dbraw/zinc/13/99/03/672139903.db2.gz AYHJRPLTVVKDJT-MNOVXSKESA-N 1 0 334.380 -1.544 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC000963450960 672139753 /nfs/dbraw/zinc/13/97/53/672139753.db2.gz CFTVGRVYMRPAMV-KGLIPLIRSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1O ZINC000963450964 672139841 /nfs/dbraw/zinc/13/98/41/672139841.db2.gz CGTLEESQVDXUMK-ZJUUUORDSA-N 1 0 325.394 -1.065 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O ZINC000963451638 672139885 /nfs/dbraw/zinc/13/98/85/672139885.db2.gz FTSHCRFIJXWEQC-NEPJUHHUSA-N 1 0 325.365 -1.342 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O ZINC000963451756 672139977 /nfs/dbraw/zinc/13/99/77/672139977.db2.gz IFOJBPXXCMMCLB-OLZOCXBDSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC000963452526 672140181 /nfs/dbraw/zinc/14/01/81/672140181.db2.gz NXZGRYGJQOIVTE-NEPJUHHUSA-N 1 0 335.364 -1.421 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O ZINC000963452576 672140306 /nfs/dbraw/zinc/14/03/06/672140306.db2.gz PLJJXHSWRQMCAP-AGIUHOORSA-N 1 0 327.381 -1.815 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O ZINC000963452577 672140197 /nfs/dbraw/zinc/14/01/97/672140197.db2.gz PLJJXHSWRQMCAP-FRRDWIJNSA-N 1 0 327.381 -1.815 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1O ZINC000963452633 672140143 /nfs/dbraw/zinc/14/01/43/672140143.db2.gz QPLXKFHUXPERPT-MNOVXSKESA-N 1 0 325.394 -1.065 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O ZINC000963453082 672140204 /nfs/dbraw/zinc/14/02/04/672140204.db2.gz SFFNKCPPBMHVCG-OLZOCXBDSA-N 1 0 338.408 -1.608 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1O ZINC000963453160 672140210 /nfs/dbraw/zinc/14/02/10/672140210.db2.gz UPKBFVNLZBYSQR-NEPJUHHUSA-N 1 0 336.396 -1.479 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC000963453503 672140218 /nfs/dbraw/zinc/14/02/18/672140218.db2.gz WPSAILZUILURBK-KGLIPLIRSA-N 1 0 335.408 -1.025 20 0 EAADRO CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963454014 672140254 /nfs/dbraw/zinc/14/02/54/672140254.db2.gz PJFZSUZVLZBZCQ-RTBKNWGFSA-N 1 0 325.369 -1.571 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)[nH]1 ZINC000963471651 672140969 /nfs/dbraw/zinc/14/09/69/672140969.db2.gz AYKPAVXZIQJMBI-NEPJUHHUSA-N 1 0 336.396 -1.561 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1O ZINC000963471665 672141053 /nfs/dbraw/zinc/14/10/53/672141053.db2.gz BCVHNEYGKAEIQM-OLZOCXBDSA-N 1 0 336.396 -1.548 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)ncc1=O ZINC000963471811 672141132 /nfs/dbraw/zinc/14/11/32/672141132.db2.gz CRZQLSFDYYWEHA-YPMHNXCESA-N 1 0 349.391 -1.822 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1N ZINC000963471818 672141036 /nfs/dbraw/zinc/14/10/36/672141036.db2.gz CVXYBTMTLCMABN-NEPJUHHUSA-N 1 0 336.396 -1.600 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O ZINC000963471833 672140987 /nfs/dbraw/zinc/14/09/87/672140987.db2.gz CYQVKCSESHPZDB-KGLIPLIRSA-N 1 0 333.392 -1.197 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O ZINC000963471886 672140956 /nfs/dbraw/zinc/14/09/56/672140956.db2.gz DGGGZKSTCBFBNP-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)nc1 ZINC000963471911 672140885 /nfs/dbraw/zinc/14/08/85/672140885.db2.gz DUYVEYNSJKEAHW-OLZOCXBDSA-N 1 0 349.391 -1.118 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963472460 672140901 /nfs/dbraw/zinc/14/09/01/672140901.db2.gz FJNKNSDIASJDSA-KGLIPLIRSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1O ZINC000963472518 672140927 /nfs/dbraw/zinc/14/09/27/672140927.db2.gz GRWXGGXKIVSNES-OLZOCXBDSA-N 1 0 341.408 -1.077 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC000963472520 672141126 /nfs/dbraw/zinc/14/11/26/672141126.db2.gz GSVVAHYCZMAILH-NEPJUHHUSA-N 1 0 335.364 -1.833 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)nn1 ZINC000963472592 672140895 /nfs/dbraw/zinc/14/08/95/672140895.db2.gz IBSOGGHHGLMNIA-OLZOCXBDSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000963473220 672141158 /nfs/dbraw/zinc/14/11/58/672141158.db2.gz KHSSYNYENPOUKQ-OLZOCXBDSA-N 1 0 349.391 -1.118 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1=O ZINC000963473269 672140942 /nfs/dbraw/zinc/14/09/42/672140942.db2.gz LMMRYGZXUMMAIT-MNOVXSKESA-N 1 0 338.364 -1.624 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963473273 672140891 /nfs/dbraw/zinc/14/08/91/672140891.db2.gz LQDZMGHGTJZZHK-YPMHNXCESA-N 1 0 336.396 -1.305 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963473288 672141016 /nfs/dbraw/zinc/14/10/16/672141016.db2.gz METSYZCVGFPIMR-KGLIPLIRSA-N 1 0 338.408 -1.752 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1O ZINC000963473289 672141149 /nfs/dbraw/zinc/14/11/49/672141149.db2.gz MGIDZOKCKRHCLY-UPJWGTAASA-N 1 0 339.392 -1.277 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1O ZINC000963473290 672140997 /nfs/dbraw/zinc/14/09/97/672140997.db2.gz MGIDZOKCKRHCLY-XQQFMLRXSA-N 1 0 339.392 -1.277 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963473323 672140949 /nfs/dbraw/zinc/14/09/49/672140949.db2.gz NYNRMNISOQIVDQ-OLZOCXBDSA-N 1 0 337.380 -1.296 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000963473325 672141145 /nfs/dbraw/zinc/14/11/45/672141145.db2.gz NZSFLMGRLXWMTA-OLZOCXBDSA-N 1 0 336.396 -1.305 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1=O ZINC000963473833 672141102 /nfs/dbraw/zinc/14/11/02/672141102.db2.gz PGZAUHYUVDQZPY-KGLIPLIRSA-N 1 0 348.403 -1.217 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O ZINC000963473871 672140976 /nfs/dbraw/zinc/14/09/76/672140976.db2.gz QAPUKTGEJRSFHO-NEPJUHHUSA-N 1 0 345.421 -2.185 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC000963473876 672141154 /nfs/dbraw/zinc/14/11/54/672141154.db2.gz QEXDTPFLIHOLPD-NEPJUHHUSA-N 1 0 337.380 -1.296 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1O ZINC000963473882 672141175 /nfs/dbraw/zinc/14/11/75/672141175.db2.gz QISUEBLAESIUKT-KGLIPLIRSA-N 1 0 340.424 -1.898 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC000963473927 672140899 /nfs/dbraw/zinc/14/08/99/672140899.db2.gz RCXPWSDPQCMWDV-OLZOCXBDSA-N 1 0 349.391 -1.489 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1O ZINC000963473933 672141171 /nfs/dbraw/zinc/14/11/71/672141171.db2.gz RIHMMIUWOBHMLE-AXFHLTTASA-N 1 0 325.369 -2.549 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1O ZINC000963473934 672141079 /nfs/dbraw/zinc/14/10/79/672141079.db2.gz RIHMMIUWOBHMLE-MXWKQRLJSA-N 1 0 325.369 -2.549 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)ccc1=O ZINC000963473968 672140923 /nfs/dbraw/zinc/14/09/23/672140923.db2.gz RVQDMXCLFBSCFF-KGLIPLIRSA-N 1 0 348.403 -1.217 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1O ZINC000963473992 672141141 /nfs/dbraw/zinc/14/11/41/672141141.db2.gz SFRILXYEAPLJQP-UPJWGTAASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1O ZINC000963473993 672141065 /nfs/dbraw/zinc/14/10/65/672141065.db2.gz SFRILXYEAPLJQP-XQQFMLRXSA-N 1 0 338.408 -1.704 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)nn1 ZINC000963474360 672141362 /nfs/dbraw/zinc/14/13/62/672141362.db2.gz SMGYVLQLLWJREC-YPMHNXCESA-N 1 0 336.396 -1.305 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1O ZINC000963474361 672141509 /nfs/dbraw/zinc/14/15/09/672141509.db2.gz SMMYIPSRZKYCSS-MCIONIFRSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1O ZINC000963474362 672141601 /nfs/dbraw/zinc/14/16/01/672141601.db2.gz SMMYIPSRZKYCSS-MJBXVCDLSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1O ZINC000963474388 672141469 /nfs/dbraw/zinc/14/14/69/672141469.db2.gz UBUVKOJZBHHXOB-MXWKQRLJSA-N 1 0 326.353 -2.122 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1O ZINC000963474389 672141615 /nfs/dbraw/zinc/14/16/15/672141615.db2.gz UBUVKOJZBHHXOB-VWYCJHECSA-N 1 0 326.353 -2.122 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)n1cncn1 ZINC000963474393 672141514 /nfs/dbraw/zinc/14/15/14/672141514.db2.gz UGQHAQRSILHXCJ-UPJWGTAASA-N 1 0 336.396 -1.377 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)n1cncn1 ZINC000963474394 672141589 /nfs/dbraw/zinc/14/15/89/672141589.db2.gz UGQHAQRSILHXCJ-XQQFMLRXSA-N 1 0 336.396 -1.377 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1O ZINC000963474433 672141606 /nfs/dbraw/zinc/14/16/06/672141606.db2.gz UYWWTXQPARYNPP-MNOVXSKESA-N 1 0 338.368 -2.233 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC000963474437 672141594 /nfs/dbraw/zinc/14/15/94/672141594.db2.gz VCWUYVDHVZYVLS-OLZOCXBDSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)ncn1 ZINC000963474710 672141459 /nfs/dbraw/zinc/14/14/59/672141459.db2.gz XLARBBYSHHKWRV-OLZOCXBDSA-N 1 0 349.391 -1.118 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000963474738 672141356 /nfs/dbraw/zinc/14/13/56/672141356.db2.gz YJYXOHCLVMYAAY-KGLIPLIRSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@@H]1O ZINC000963474753 672141490 /nfs/dbraw/zinc/14/14/90/672141490.db2.gz ZHTHLJMYSHIZPK-UPJWGTAASA-N 1 0 338.408 -1.561 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@@H]1O ZINC000963474754 672141464 /nfs/dbraw/zinc/14/14/64/672141464.db2.gz ZHTHLJMYSHIZPK-XQQFMLRXSA-N 1 0 338.408 -1.561 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963474757 672141555 /nfs/dbraw/zinc/14/15/55/672141555.db2.gz ZLGLPWPYLLMMPE-MCIONIFRSA-N 1 0 340.424 -1.899 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963474758 672141552 /nfs/dbraw/zinc/14/15/52/672141552.db2.gz ZLGLPWPYLLMMPE-RDBSUJKOSA-N 1 0 340.424 -1.899 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963474765 672141452 /nfs/dbraw/zinc/14/14/52/672141452.db2.gz ZVNVKCVPFANYDN-KGLIPLIRSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1O ZINC000963485571 672141348 /nfs/dbraw/zinc/14/13/48/672141348.db2.gz CMMVQMVCTDYZHC-KOLCDFICSA-N 1 0 325.394 -1.065 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O ZINC000963486168 672141425 /nfs/dbraw/zinc/14/14/25/672141425.db2.gz GEJBQDVTFABHTE-NEPJUHHUSA-N 1 0 335.364 -1.421 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O ZINC000963486285 672141538 /nfs/dbraw/zinc/14/15/38/672141538.db2.gz HRWTWITUEMCXRO-MNOVXSKESA-N 1 0 325.344 -1.054 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963486310 672141521 /nfs/dbraw/zinc/14/15/21/672141521.db2.gz ILTZZDFRNNWILP-OCCSQVGLSA-N 1 0 348.403 -1.217 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CCNC1=O ZINC000963486363 672141530 /nfs/dbraw/zinc/14/15/30/672141530.db2.gz IYWGSVYZBHFDOI-BFQNTYOBSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CCNC1=O ZINC000963486365 672141628 /nfs/dbraw/zinc/14/16/28/672141628.db2.gz IYWGSVYZBHFDOI-WQGACYEGSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CCC(=O)N1 ZINC000963486373 672141544 /nfs/dbraw/zinc/14/15/44/672141544.db2.gz JCBMVJFBLQHURP-WQGACYEGSA-N 1 0 338.408 -1.561 20 0 EAADRO COc1cncc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000963486704 672141367 /nfs/dbraw/zinc/14/13/67/672141367.db2.gz NHQJZRNUCPKLGI-OLZOCXBDSA-N 1 0 349.391 -1.118 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963486709 672141444 /nfs/dbraw/zinc/14/14/44/672141444.db2.gz NTPXKKIVRTVPBW-MNOVXSKESA-N 1 0 326.397 -1.718 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)[nH]1 ZINC000963487028 672141611 /nfs/dbraw/zinc/14/16/11/672141611.db2.gz PVZDELADUKZZBH-OLZOCXBDSA-N 1 0 349.391 -1.489 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1O ZINC000963487087 672141481 /nfs/dbraw/zinc/14/14/81/672141481.db2.gz RBMBWASHDOOHTJ-UPJWGTAASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1O ZINC000963487089 672141434 /nfs/dbraw/zinc/14/14/34/672141434.db2.gz RBMBWASHDOOHTJ-XQQFMLRXSA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1O ZINC000963487104 672141410 /nfs/dbraw/zinc/14/14/10/672141410.db2.gz RNIKWHQXNMDSPY-OLZOCXBDSA-N 1 0 336.396 -1.479 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000963487148 672141632 /nfs/dbraw/zinc/14/16/32/672141632.db2.gz SJJHDYKBDBLCQC-KGLIPLIRSA-N 1 0 335.408 -1.025 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963487169 672141576 /nfs/dbraw/zinc/14/15/76/672141576.db2.gz SSKHYVUDVWLROR-MNOVXSKESA-N 1 0 337.380 -1.179 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1O ZINC000963487422 672142017 /nfs/dbraw/zinc/14/20/17/672142017.db2.gz TWODKPMNZPRDQO-OLZOCXBDSA-N 1 0 349.391 -1.327 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1O ZINC000963487427 672141968 /nfs/dbraw/zinc/14/19/68/672141968.db2.gz TXLSMFXXRPXRDY-UPJWGTAASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1O ZINC000963487428 672142002 /nfs/dbraw/zinc/14/20/02/672142002.db2.gz TXLSMFXXRPXRDY-XQQFMLRXSA-N 1 0 338.408 -1.704 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)ccc1=O ZINC000963487919 672141900 /nfs/dbraw/zinc/14/19/00/672141900.db2.gz XUBZBAQWUKNLBN-OLZOCXBDSA-N 1 0 349.391 -1.822 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)[nH]c1=O ZINC000963487951 672141998 /nfs/dbraw/zinc/14/19/98/672141998.db2.gz YAEOBLPQXHJDCI-PWSUYJOCSA-N 1 0 337.380 -1.477 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1O ZINC000963487974 672142022 /nfs/dbraw/zinc/14/20/22/672142022.db2.gz YQJCOJJIMDEVJL-UPJWGTAASA-N 1 0 338.408 -1.561 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1O ZINC000963497049 672142028 /nfs/dbraw/zinc/14/20/28/672142028.db2.gz AMAAWJRNNMEASR-UPJWGTAASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1O ZINC000963497050 672141950 /nfs/dbraw/zinc/14/19/50/672141950.db2.gz AMAAWJRNNMEASR-XQQFMLRXSA-N 1 0 338.408 -1.704 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1=O ZINC000963497824 672141876 /nfs/dbraw/zinc/14/18/76/672141876.db2.gz FHRGKPWNAQNZOC-KGLIPLIRSA-N 1 0 348.403 -1.217 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1=O ZINC000963497836 672141944 /nfs/dbraw/zinc/14/19/44/672141944.db2.gz FODAUSXDOVSVOR-OLZOCXBDSA-N 1 0 349.391 -1.822 20 0 EAADRO Cn1c(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c[nH]c1=O ZINC000963497931 672141885 /nfs/dbraw/zinc/14/18/85/672141885.db2.gz HHKRCFJSJIUJMM-PWSUYJOCSA-N 1 0 337.380 -1.477 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963497986 672141977 /nfs/dbraw/zinc/14/19/77/672141977.db2.gz HYMXSENSETUAEQ-NEPJUHHUSA-N 1 0 349.391 -1.112 20 0 EAADRO CN1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC000963498076 672141973 /nfs/dbraw/zinc/14/19/73/672141973.db2.gz JBYQROWJUINBOD-UPJWGTAASA-N 1 0 338.408 -1.752 20 0 EAADRO CN1CC[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC000963498077 672141937 /nfs/dbraw/zinc/14/19/37/672141937.db2.gz JBYQROWJUINBOD-XQQFMLRXSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963498087 672141933 /nfs/dbraw/zinc/14/19/33/672141933.db2.gz JJZUIIHCAPNCOC-AGIUHOORSA-N 1 0 338.408 -1.609 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963498089 672142020 /nfs/dbraw/zinc/14/20/20/672142020.db2.gz JJZUIIHCAPNCOC-UPJWGTAASA-N 1 0 338.408 -1.609 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)NC1=O ZINC000963499155 672141992 /nfs/dbraw/zinc/14/19/92/672141992.db2.gz ORMSSTAXQRIMOT-UTUOFQBUSA-N 1 0 339.396 -2.206 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)NC1=O ZINC000963499156 672142014 /nfs/dbraw/zinc/14/20/14/672142014.db2.gz ORMSSTAXQRIMOT-WOPDTQHZSA-N 1 0 339.396 -2.206 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963500431 672142303 /nfs/dbraw/zinc/14/23/03/672142303.db2.gz WXFCQONOKHBURZ-XFMPKHEZSA-N 1 0 341.408 -1.426 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1O ZINC000963500578 672142263 /nfs/dbraw/zinc/14/22/63/672142263.db2.gz ZGTIVSSLHBHDCA-TYNCELHUSA-N 1 0 329.372 -1.101 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1O ZINC000963500580 672142233 /nfs/dbraw/zinc/14/22/33/672142233.db2.gz ZGTIVSSLHBHDCA-XUJVJEKNSA-N 1 0 329.372 -1.101 20 0 EAADRO NC(=O)c1cc(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c[nH]1 ZINC000963513320 672142611 /nfs/dbraw/zinc/14/26/11/672142611.db2.gz GXEZWFGEYAXFDR-OLZOCXBDSA-N 1 0 349.391 -1.489 20 0 EAADRO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)n1 ZINC000963513321 672142650 /nfs/dbraw/zinc/14/26/50/672142650.db2.gz GXOIASKGCRYYHT-OLZOCXBDSA-N 1 0 333.392 -1.183 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963513377 672142639 /nfs/dbraw/zinc/14/26/39/672142639.db2.gz JKYIOAMPXJTQSU-KGLIPLIRSA-N 1 0 335.408 -1.025 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1O ZINC000963513731 672142620 /nfs/dbraw/zinc/14/26/20/672142620.db2.gz NNWFESATNGJGKU-KGLIPLIRSA-N 1 0 348.403 -1.368 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC000963514034 672142615 /nfs/dbraw/zinc/14/26/15/672142615.db2.gz VDJQAGGNJJEGJQ-NEPJUHHUSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963514045 672143017 /nfs/dbraw/zinc/14/30/17/672143017.db2.gz VRYQOPYVAPAYIQ-KGLIPLIRSA-N 1 0 335.408 -1.025 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC1=O ZINC000963525256 672143920 /nfs/dbraw/zinc/14/39/20/672143920.db2.gz IAHCBWBRFKYBJN-UPJWGTAASA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC1=O ZINC000963525260 672143883 /nfs/dbraw/zinc/14/38/83/672143883.db2.gz IAHCBWBRFKYBJN-XQQFMLRXSA-N 1 0 338.408 -1.752 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CNC(=O)C1 ZINC000963525857 672143935 /nfs/dbraw/zinc/14/39/35/672143935.db2.gz KWFAORTUCWRYGM-BFQNTYOBSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CNC(=O)C1 ZINC000963525860 672143877 /nfs/dbraw/zinc/14/38/77/672143877.db2.gz KWFAORTUCWRYGM-WQGACYEGSA-N 1 0 338.408 -1.704 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963526031 672143845 /nfs/dbraw/zinc/14/38/45/672143845.db2.gz NYYZJKMYBDSNIH-KGLIPLIRSA-N 1 0 335.408 -1.025 20 0 EAADRO C[C@H]([NH2+]C1CC2(CC(NC(=O)Cn3cnnn3)C2)C1)c1nnnn1C ZINC000963535470 672144546 /nfs/dbraw/zinc/14/45/46/672144546.db2.gz AWVWAYYVSUUEMR-ICYBPSJXSA-N 1 0 346.399 -1.025 20 0 EAADRO C[C@@H]([NH2+]C1CC2(CC(NC(=O)Cn3cnnn3)C2)C1)c1nnnn1C ZINC000963535471 672144561 /nfs/dbraw/zinc/14/45/61/672144561.db2.gz AWVWAYYVSUUEMR-NJQQVTKISA-N 1 0 346.399 -1.025 20 0 EAADRO CN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)Cn4cnnn4)C3)C2)C1=O ZINC000963535526 672144440 /nfs/dbraw/zinc/14/44/40/672144440.db2.gz CUEWCVQBHXOBEY-VDZFAJSBSA-N 1 0 333.396 -1.079 20 0 EAADRO CN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)Cn4cnnn4)C3)C2)C1=O ZINC000963535527 672144434 /nfs/dbraw/zinc/14/44/34/672144434.db2.gz CUEWCVQBHXOBEY-WAQQSHLVSA-N 1 0 333.396 -1.079 20 0 EAADRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000963535532 672144475 /nfs/dbraw/zinc/14/44/75/672144475.db2.gz CZDLLMGODXFTFL-UHFFFAOYSA-N 1 0 332.372 -1.586 20 0 EAADRO O=C(Cn1cnnn1)NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2 ZINC000963536344 672144580 /nfs/dbraw/zinc/14/45/80/672144580.db2.gz GNRVZKUCPVNDDR-AIXFRAIASA-N 1 0 347.379 -1.505 20 0 EAADRO O=C(Cn1cnnn1)NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2 ZINC000963536345 672144462 /nfs/dbraw/zinc/14/44/62/672144462.db2.gz GNRVZKUCPVNDDR-RUIJOYPPSA-N 1 0 347.379 -1.505 20 0 EAADRO O=C(Cn1cnnn1)NC1CC2(C1)CC([NH2+]CCn1cncn1)C2 ZINC000963536842 672144571 /nfs/dbraw/zinc/14/45/71/672144571.db2.gz IQOPQBQWVCSXDO-UHFFFAOYSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1cnnn1)NC1CC2(C1)CC([NH2+]CCN1CCNC1=O)C2 ZINC000963537533 672144593 /nfs/dbraw/zinc/14/45/93/672144593.db2.gz LFTYAPJNJVOJBK-UHFFFAOYSA-N 1 0 348.411 -1.285 20 0 EAADRO O=C(Cn1cnnn1)NC1CC2(C1)CC([NH2+]CC(=O)N1CCC1)C2 ZINC000963537670 672144600 /nfs/dbraw/zinc/14/46/00/672144600.db2.gz NRMJUSGYLYTKLT-UHFFFAOYSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)NC1CC2(C1)CC([NH2+][C@@H]1CCCNC1=O)C2 ZINC000963538961 672144525 /nfs/dbraw/zinc/14/45/25/672144525.db2.gz UGMACMJEHKGYGG-VDZFAJSBSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(Cn1cnnn1)NC1CC2(C1)CC([NH2+][C@H]1CCCNC1=O)C2 ZINC000963538992 672144521 /nfs/dbraw/zinc/14/45/21/672144521.db2.gz UGMACMJEHKGYGG-WAQQSHLVSA-N 1 0 333.396 -1.031 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)Cn4cnnn4)C3)C2)nc1=O ZINC000963539324 672144574 /nfs/dbraw/zinc/14/45/74/672144574.db2.gz ZLUZQRDVVDIXDS-UHFFFAOYSA-N 1 0 347.383 -1.688 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000963555251 672145306 /nfs/dbraw/zinc/14/53/06/672145306.db2.gz FDXKMZSUFHUSOK-MCIONIFRSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000963555252 672145259 /nfs/dbraw/zinc/14/52/59/672145259.db2.gz FDXKMZSUFHUSOK-RDBSUJKOSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000963556147 672145339 /nfs/dbraw/zinc/14/53/39/672145339.db2.gz KCQQFFPUVVKKTB-KGLIPLIRSA-N 1 0 347.419 -1.025 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000963572187 672146098 /nfs/dbraw/zinc/14/60/98/672146098.db2.gz LXMIAJJCVAARQB-MCIONIFRSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000963572188 672146157 /nfs/dbraw/zinc/14/61/57/672146157.db2.gz LXMIAJJCVAARQB-MJBXVCDLSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963572232 672146207 /nfs/dbraw/zinc/14/62/07/672146207.db2.gz MRKILAUWYMHXME-KGLIPLIRSA-N 1 0 335.408 -1.025 20 0 EAADRO CN(C(=O)CN1CCN(C)C(=O)C1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963582710 672146608 /nfs/dbraw/zinc/14/66/08/672146608.db2.gz SQWSYAZLDMKILZ-UHFFFAOYSA-N 1 0 339.440 -1.395 20 0 EAADRO C[C@H]([NH2+]C1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1)C(N)=O ZINC000963598259 672146928 /nfs/dbraw/zinc/14/69/28/672146928.db2.gz IINSKYQPBUYWFL-UNXYVOJBSA-N 1 0 338.412 -1.185 20 0 EAADRO C[C@@H]([NH2+]C1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1)C(N)=O ZINC000963598260 672146981 /nfs/dbraw/zinc/14/69/81/672146981.db2.gz IINSKYQPBUYWFL-VOMCLLRMSA-N 1 0 338.412 -1.185 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC000963601392 672147179 /nfs/dbraw/zinc/14/71/79/672147179.db2.gz REZMYZQGZSDUMC-AGIUHOORSA-N 1 0 349.391 -1.491 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC000963601393 672147303 /nfs/dbraw/zinc/14/73/03/672147303.db2.gz REZMYZQGZSDUMC-UPJWGTAASA-N 1 0 349.391 -1.491 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)[C@@H](O)C2)C1 ZINC000963614820 672147243 /nfs/dbraw/zinc/14/72/43/672147243.db2.gz FAOSDEDNRUPOHV-BIMULSAOSA-N 1 0 349.391 -1.633 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)[C@@H](O)C2)C1 ZINC000963614821 672147316 /nfs/dbraw/zinc/14/73/16/672147316.db2.gz FAOSDEDNRUPOHV-WQAKAFBOSA-N 1 0 349.391 -1.633 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)c[nH]1 ZINC000963615327 672147213 /nfs/dbraw/zinc/14/72/13/672147213.db2.gz PPTDIKQUWBOOCD-OLZOCXBDSA-N 1 0 349.391 -1.489 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)[C@H]4CCC(=O)N4)C3)C2)nc1=O ZINC000963637360 672147699 /nfs/dbraw/zinc/14/76/99/672147699.db2.gz VBGYOCDZPOLLTK-VTYKSSSUSA-N 1 0 348.407 -1.096 20 0 EAADRO CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963640227 672147720 /nfs/dbraw/zinc/14/77/20/672147720.db2.gz KHQRNPCQVZIZLG-UHFFFAOYSA-N 1 0 337.380 -1.207 20 0 EAADRO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CCC([NH2+]CCO)CC1 ZINC000963696880 672148394 /nfs/dbraw/zinc/14/83/94/672148394.db2.gz AUAIMNKFFJJZJV-MCIGGMRASA-N 1 0 347.437 -1.749 20 0 EAADRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000963697197 672148222 /nfs/dbraw/zinc/14/82/22/672148222.db2.gz HXQLUZGSDBEISP-UHFFFAOYSA-N 1 0 347.383 -1.276 20 0 EAADRO O=C(CN1CN=NC1=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC000963697286 672148349 /nfs/dbraw/zinc/14/83/49/672148349.db2.gz KQKIUUBFMXYWJT-AIXFRAIASA-N 1 0 334.380 -1.111 20 0 EAADRO O=C(CN1CN=NC1=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC000963697287 672148253 /nfs/dbraw/zinc/14/82/53/672148253.db2.gz KQKIUUBFMXYWJT-RUIJOYPPSA-N 1 0 334.380 -1.111 20 0 EAADRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000963736697 672149907 /nfs/dbraw/zinc/14/99/07/672149907.db2.gz YCJBRJWWGKMWOZ-CLORNOEFSA-N 1 0 335.368 -1.165 20 0 EAADRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000963736699 672149738 /nfs/dbraw/zinc/14/97/38/672149738.db2.gz YCJBRJWWGKMWOZ-QXVNIHLASA-N 1 0 335.368 -1.165 20 0 EAADRO C[C@H]([NH2+]C1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC000963788829 672151666 /nfs/dbraw/zinc/15/16/66/672151666.db2.gz QKCXRWACLXLYRO-HIFPTAJRSA-N 1 0 339.440 -1.349 20 0 EAADRO C[C@@H]([NH2+]C1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC000963788830 672151637 /nfs/dbraw/zinc/15/16/37/672151637.db2.gz QKCXRWACLXLYRO-PNESKVBLSA-N 1 0 339.440 -1.349 20 0 EAADRO CN(C(=O)CN1CCNC(=O)C1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963789223 672151590 /nfs/dbraw/zinc/15/15/90/672151590.db2.gz ZJGNSNUCZDSZIH-UHFFFAOYSA-N 1 0 325.413 -1.737 20 0 EAADRO O=C(Cn1ncnn1)NC1CC2(C1)CC([NH2+]CC(=O)N1CCC1)C2 ZINC000963799996 672152454 /nfs/dbraw/zinc/15/24/54/672152454.db2.gz AKDJARZEIGFAQJ-UHFFFAOYSA-N 1 0 333.396 -1.078 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)Cn4ncnn4)C3)C2)nc1=O ZINC000963800041 672152542 /nfs/dbraw/zinc/15/25/42/672152542.db2.gz CLYGFTPCMMUBDK-UHFFFAOYSA-N 1 0 347.383 -1.688 20 0 EAADRO C[C@H]([NH2+]C1CC2(CC(NC(=O)Cn3ncnn3)C2)C1)c1nnnn1C ZINC000963800225 672152373 /nfs/dbraw/zinc/15/23/73/672152373.db2.gz GYKKSWPQBUBFSN-ICYBPSJXSA-N 1 0 346.399 -1.025 20 0 EAADRO C[C@@H]([NH2+]C1CC2(CC(NC(=O)Cn3ncnn3)C2)C1)c1nnnn1C ZINC000963800226 672152306 /nfs/dbraw/zinc/15/23/06/672152306.db2.gz GYKKSWPQBUBFSN-NJQQVTKISA-N 1 0 346.399 -1.025 20 0 EAADRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000963801026 672152509 /nfs/dbraw/zinc/15/25/09/672152509.db2.gz QDSKICNTJLKCNH-UHFFFAOYSA-N 1 0 332.372 -1.586 20 0 EAADRO O=C(Cn1ncnn1)NC1CC2(C1)CC([NH2+]CCN1CCNC1=O)C2 ZINC000963801569 672152358 /nfs/dbraw/zinc/15/23/58/672152358.db2.gz XJFBIEQVDLIPLM-UHFFFAOYSA-N 1 0 348.411 -1.285 20 0 EAADRO O=C(Cn1ncnn1)NC1CC2(C1)CC([NH2+][C@@H]1CCCNC1=O)C2 ZINC000963801615 672152569 /nfs/dbraw/zinc/15/25/69/672152569.db2.gz YBMBDJHHYNDUKP-VDZFAJSBSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(Cn1ncnn1)NC1CC2(C1)CC([NH2+][C@H]1CCCNC1=O)C2 ZINC000963801617 672152388 /nfs/dbraw/zinc/15/23/88/672152388.db2.gz YBMBDJHHYNDUKP-WAQQSHLVSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(Cn1ncnn1)NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2 ZINC000963801660 672152315 /nfs/dbraw/zinc/15/23/15/672152315.db2.gz YLFCZCWWOZGTHR-AIXFRAIASA-N 1 0 347.379 -1.505 20 0 EAADRO O=C(Cn1ncnn1)NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2 ZINC000963801664 672152572 /nfs/dbraw/zinc/15/25/72/672152572.db2.gz YLFCZCWWOZGTHR-RUIJOYPPSA-N 1 0 347.379 -1.505 20 0 EAADRO CN(C(=O)c1nnn(C)n1)C1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000963805553 672152527 /nfs/dbraw/zinc/15/25/27/672152527.db2.gz AHTSSUVYWGBVLB-ILDUYXDCSA-N 1 0 349.395 -1.012 20 0 EAADRO CN(C(=O)c1nnn(C)n1)C1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000963805555 672152485 /nfs/dbraw/zinc/15/24/85/672152485.db2.gz AHTSSUVYWGBVLB-VQXHTEKXSA-N 1 0 349.395 -1.012 20 0 EAADRO CN(C(=O)c1nnn(C)n1)C1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC000963806075 672152896 /nfs/dbraw/zinc/15/28/96/672152896.db2.gz KFYUEODIOFGXHE-UHFFFAOYSA-N 1 0 349.399 -1.195 20 0 EAADRO CN(C(=O)c1nnn(C)n1)C1CCC([NH2+]Cc2nnnn2C)CC1 ZINC000963806367 672152929 /nfs/dbraw/zinc/15/29/29/672152929.db2.gz LRVTUVFYUCYCTR-UHFFFAOYSA-N 1 0 334.388 -1.093 20 0 EAADRO CN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)Cn4ncnn4)C3)C2)C1=O ZINC000963808324 672152804 /nfs/dbraw/zinc/15/28/04/672152804.db2.gz BRRLYCAFSQKDAU-VDZFAJSBSA-N 1 0 333.396 -1.079 20 0 EAADRO CN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)Cn4ncnn4)C3)C2)C1=O ZINC000963808326 672152752 /nfs/dbraw/zinc/15/27/52/672152752.db2.gz BRRLYCAFSQKDAU-WAQQSHLVSA-N 1 0 333.396 -1.079 20 0 EAADRO O=C(Cn1ncnn1)NC1CC2(C1)CC([NH2+]CCn1cncn1)C2 ZINC000963809342 672152828 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672173339 /nfs/dbraw/zinc/17/33/39/672173339.db2.gz GIRQAZMHVQDZER-GHMZBOCLSA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000964117981 672173361 /nfs/dbraw/zinc/17/33/61/672173361.db2.gz GIRQAZMHVQDZER-MNOVXSKESA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000964117982 672173246 /nfs/dbraw/zinc/17/32/46/672173246.db2.gz GIRQAZMHVQDZER-QWRGUYRKSA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000964117983 672173379 /nfs/dbraw/zinc/17/33/79/672173379.db2.gz GIRQAZMHVQDZER-WDEREUQCSA-N 1 0 337.384 -1.739 20 0 EAADRO C[C@@H]([NH2+]C1CC2(CC(NC(=O)Cn3ncn(C)c3=O)C2)C1)C(N)=O ZINC000964119353 672173670 /nfs/dbraw/zinc/17/36/70/672173670.db2.gz LDMGUUJHSSGEST-RURBXUPXSA-N 1 0 336.396 -1.527 20 0 EAADRO C[C@H]([NH2+]C1CC2(CC(NC(=O)Cn3ncn(C)c3=O)C2)C1)C(N)=O ZINC000964119358 672173822 /nfs/dbraw/zinc/17/38/22/672173822.db2.gz LDMGUUJHSSGEST-YMPWGHJTSA-N 1 0 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20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964221351 672195210 /nfs/dbraw/zinc/19/52/10/672195210.db2.gz WOPBYCQFSMAQBP-QWHCGFSZSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964221352 672195083 /nfs/dbraw/zinc/19/50/83/672195083.db2.gz WOPBYCQFSMAQBP-STQMWFEESA-N 1 0 340.424 -1.207 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000964235822 672198368 /nfs/dbraw/zinc/19/83/68/672198368.db2.gz OUJQXBMOEFHZJJ-GFCCVEGCSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000964235842 672198221 /nfs/dbraw/zinc/19/82/21/672198221.db2.gz OUJQXBMOEFHZJJ-LBPRGKRZSA-N 1 0 338.408 -1.309 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC000964236008 672198240 /nfs/dbraw/zinc/19/82/40/672198240.db2.gz IWTFMWGRWRYSJE-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC000964236009 672198298 /nfs/dbraw/zinc/19/82/98/672198298.db2.gz IWTFMWGRWRYSJE-LBPRGKRZSA-N 1 0 326.397 -1.453 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC000964241684 672199195 /nfs/dbraw/zinc/19/91/95/672199195.db2.gz ATCBWTFKPCLBKF-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC000964241685 672199087 /nfs/dbraw/zinc/19/90/87/672199087.db2.gz ATCBWTFKPCLBKF-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC000964241686 672198915 /nfs/dbraw/zinc/19/89/15/672198915.db2.gz ATCBWTFKPCLBKF-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC000964241687 672198996 /nfs/dbraw/zinc/19/89/96/672198996.db2.gz ATCBWTFKPCLBKF-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO O=C(NC[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2)c1cn[nH]n1 ZINC000964245557 672199757 /nfs/dbraw/zinc/19/97/57/672199757.db2.gz BMAYAXZVOFGYJZ-LLVKDONJSA-N 1 0 334.380 -1.142 20 0 EAADRO O=C(NC[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2)c1cn[nH]n1 ZINC000964245558 672199683 /nfs/dbraw/zinc/19/96/83/672199683.db2.gz BMAYAXZVOFGYJZ-NSHDSACASA-N 1 0 334.380 -1.142 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC000964248829 672200783 /nfs/dbraw/zinc/20/07/83/672200783.db2.gz GHJAFCZPNGSTLH-UHFFFAOYSA-N 1 0 335.364 -1.549 20 0 EAADRO C[C@@H]([NH2+]C1CC2(CC(NC(=O)Cn3ccc(=O)[nH]c3=O)C2)C1)C(N)=O ZINC000964249667 672201447 /nfs/dbraw/zinc/20/14/47/672201447.db2.gz NDHDLQMRYCHHAI-QVVZTSRFSA-N 1 0 349.391 -1.160 20 0 EAADRO C[C@H]([NH2+]C1CC2(CC(NC(=O)Cn3ccc(=O)[nH]c3=O)C2)C1)C(N)=O ZINC000964249669 672201296 /nfs/dbraw/zinc/20/12/96/672201296.db2.gz NDHDLQMRYCHHAI-RDWFRGEBSA-N 1 0 349.391 -1.160 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000964249710 672201200 /nfs/dbraw/zinc/20/12/00/672201200.db2.gz OSUPGTFJMRUBJU-ICYBPSJXSA-N 1 0 329.422 -1.077 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000964249711 672201280 /nfs/dbraw/zinc/20/12/80/672201280.db2.gz OSUPGTFJMRUBJU-NJQQVTKISA-N 1 0 329.422 -1.077 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC000964251811 672201874 /nfs/dbraw/zinc/20/18/74/672201874.db2.gz HTUIRZYXEZAZNM-CHWSQXEVSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC000964251813 672201783 /nfs/dbraw/zinc/20/17/83/672201783.db2.gz HTUIRZYXEZAZNM-OLZOCXBDSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC000964251815 672201630 /nfs/dbraw/zinc/20/16/30/672201630.db2.gz HTUIRZYXEZAZNM-QWHCGFSZSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC000964251817 672201805 /nfs/dbraw/zinc/20/18/05/672201805.db2.gz HTUIRZYXEZAZNM-STQMWFEESA-N 1 0 340.424 -1.064 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000964253614 672202036 /nfs/dbraw/zinc/20/20/36/672202036.db2.gz FFKYJZAWBLAHPX-DGCLKSJQSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000964253617 672202047 /nfs/dbraw/zinc/20/20/47/672202047.db2.gz FFKYJZAWBLAHPX-WCQYABFASA-N 1 0 336.396 -1.134 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000964253766 672202413 /nfs/dbraw/zinc/20/24/13/672202413.db2.gz GGYYAUKPUSRLHS-GFCCVEGCSA-N 1 0 331.332 -1.223 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000964253769 672202437 /nfs/dbraw/zinc/20/24/37/672202437.db2.gz GGYYAUKPUSRLHS-LBPRGKRZSA-N 1 0 331.332 -1.223 20 0 EAADRO O=C(NC[C@@H]1COCCN1C(=O)c1nc[nH]n1)C12CC[NH+](CC1)C2 ZINC000964259050 672203780 /nfs/dbraw/zinc/20/37/80/672203780.db2.gz AGKHMSUDZGHWFH-LLVKDONJSA-N 1 0 334.380 -1.142 20 0 EAADRO O=C(NC[C@H]1COCCN1C(=O)c1nc[nH]n1)C12CC[NH+](CC1)C2 ZINC000964259051 672203792 /nfs/dbraw/zinc/20/37/92/672203792.db2.gz AGKHMSUDZGHWFH-NSHDSACASA-N 1 0 334.380 -1.142 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC000964259672 672203885 /nfs/dbraw/zinc/20/38/85/672203885.db2.gz CTNWXTMWFNFBAI-LLVKDONJSA-N 1 0 349.391 -1.020 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC000964259673 672203848 /nfs/dbraw/zinc/20/38/48/672203848.db2.gz CTNWXTMWFNFBAI-NSHDSACASA-N 1 0 349.391 -1.020 20 0 EAADRO O=C(Cn1ncnn1)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964259693 672203915 /nfs/dbraw/zinc/20/39/15/672203915.db2.gz CXGVBDFYHGBHJT-GFCCVEGCSA-N 1 0 349.395 -1.888 20 0 EAADRO O=C(Cn1ncnn1)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964259695 672203783 /nfs/dbraw/zinc/20/37/83/672203783.db2.gz CXGVBDFYHGBHJT-LBPRGKRZSA-N 1 0 349.395 -1.888 20 0 EAADRO O=C(Cn1cnnn1)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964259768 672203761 /nfs/dbraw/zinc/20/37/61/672203761.db2.gz DMFZAYHQWQGDFI-GFCCVEGCSA-N 1 0 349.395 -1.888 20 0 EAADRO O=C(Cn1cnnn1)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964259769 672203800 /nfs/dbraw/zinc/20/38/00/672203800.db2.gz DMFZAYHQWQGDFI-LBPRGKRZSA-N 1 0 349.395 -1.888 20 0 EAADRO Cn1cc(C(=O)N2CCOC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC000964260325 672204291 /nfs/dbraw/zinc/20/42/91/672204291.db2.gz GCUAIVXSOVYHEQ-GFCCVEGCSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC000964260326 672204276 /nfs/dbraw/zinc/20/42/76/672204276.db2.gz GCUAIVXSOVYHEQ-LBPRGKRZSA-N 1 0 348.407 -1.132 20 0 EAADRO O=C(NC[C@@H]1COCCN1C(=O)c1cn[nH]n1)C12CC[NH+](CC1)C2 ZINC000964260385 672204307 /nfs/dbraw/zinc/20/43/07/672204307.db2.gz HLONQFCFUQNQIH-LLVKDONJSA-N 1 0 334.380 -1.142 20 0 EAADRO O=C(NC[C@H]1COCCN1C(=O)c1cn[nH]n1)C12CC[NH+](CC1)C2 ZINC000964260386 672204196 /nfs/dbraw/zinc/20/41/96/672204196.db2.gz HLONQFCFUQNQIH-NSHDSACASA-N 1 0 334.380 -1.142 20 0 EAADRO O=C(Cn1cncn1)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964261181 672204671 /nfs/dbraw/zinc/20/46/71/672204671.db2.gz IHTADNCGAGPCRL-CYBMUJFWSA-N 1 0 348.407 -1.283 20 0 EAADRO O=C(Cn1cncn1)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964261184 672204537 /nfs/dbraw/zinc/20/45/37/672204537.db2.gz IHTADNCGAGPCRL-ZDUSSCGKSA-N 1 0 348.407 -1.283 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC000964261288 672204624 /nfs/dbraw/zinc/20/46/24/672204624.db2.gz JJORRYBACQSFIJ-JTQLQIEISA-N 1 0 335.364 -1.410 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC000964261289 672204517 /nfs/dbraw/zinc/20/45/17/672204517.db2.gz JJORRYBACQSFIJ-SNVBAGLBSA-N 1 0 335.364 -1.410 20 0 EAADRO O=C(Cn1nccn1)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964263055 672204908 /nfs/dbraw/zinc/20/49/08/672204908.db2.gz OUEIEBNCQXKASD-CYBMUJFWSA-N 1 0 348.407 -1.283 20 0 EAADRO O=C(Cn1nccn1)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964263056 672205022 /nfs/dbraw/zinc/20/50/22/672205022.db2.gz OUEIEBNCQXKASD-ZDUSSCGKSA-N 1 0 348.407 -1.283 20 0 EAADRO Cn1nncc1C(=O)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964263059 672204868 /nfs/dbraw/zinc/20/48/68/672204868.db2.gz OXYWPHQRWMTUDX-GFCCVEGCSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1nncc1C(=O)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964263060 672204982 /nfs/dbraw/zinc/20/49/82/672204982.db2.gz OXYWPHQRWMTUDX-LBPRGKRZSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)C23CC[NH+](CC2)C3)n1 ZINC000964263254 672204976 /nfs/dbraw/zinc/20/49/76/672204976.db2.gz JOGOICYWMRRQRC-GFCCVEGCSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)C23CC[NH+](CC2)C3)n1 ZINC000964263257 672204933 /nfs/dbraw/zinc/20/49/33/672204933.db2.gz JOGOICYWMRRQRC-LBPRGKRZSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)Cc2cnc[nH]2)n1 ZINC000964264106 672204952 /nfs/dbraw/zinc/20/49/52/672204952.db2.gz NPXWOVDYCZEEOA-LLVKDONJSA-N 1 0 333.352 -1.262 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)Cc2cnc[nH]2)n1 ZINC000964264109 672205000 /nfs/dbraw/zinc/20/50/00/672205000.db2.gz NPXWOVDYCZEEOA-NSHDSACASA-N 1 0 333.352 -1.262 20 0 EAADRO Cn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC000964264202 672205385 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EAADRO Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000964265073 672205375 /nfs/dbraw/zinc/20/53/75/672205375.db2.gz PMRXIPCDWOABRR-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000964265074 672205273 /nfs/dbraw/zinc/20/52/73/672205273.db2.gz PMRXIPCDWOABRR-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cnc(C(=O)N2CCOC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC000964265561 672205670 /nfs/dbraw/zinc/20/56/70/672205670.db2.gz YGHRFPZIHDUMCZ-GFCCVEGCSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC000964265562 672205694 /nfs/dbraw/zinc/20/56/94/672205694.db2.gz YGHRFPZIHDUMCZ-LBPRGKRZSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000964266927 672205704 /nfs/dbraw/zinc/20/57/04/672205704.db2.gz VLRTWWVYRYZXBP-NEPJUHHUSA-N 1 0 336.396 -1.276 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000964266928 672205682 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Cn1nncc1C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000968552721 672415860 /nfs/dbraw/zinc/41/58/60/672415860.db2.gz FDKFYIPPLATXBD-LLVKDONJSA-N 1 0 342.425 -1.345 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3cnnn3C)C2)CCO1 ZINC000968553460 672415835 /nfs/dbraw/zinc/41/58/35/672415835.db2.gz WYHRLEPCJGOCCJ-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3cnnn3C)C2)CCO1 ZINC000968553461 672415807 /nfs/dbraw/zinc/41/58/07/672415807.db2.gz WYHRLEPCJGOCCJ-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000968555721 672416064 /nfs/dbraw/zinc/41/60/64/672416064.db2.gz YMRAOBFMEPHUKD-YPMHNXCESA-N 1 0 333.392 -1.183 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)N1CCOCC1 ZINC000968555831 672416048 /nfs/dbraw/zinc/41/60/48/672416048.db2.gz DGFSPBBGERDVCH-GHMZBOCLSA-N 1 0 326.353 -1.856 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)N1CCOCC1 ZINC000968555832 672416137 /nfs/dbraw/zinc/41/61/37/672416137.db2.gz DGFSPBBGERDVCH-MNOVXSKESA-N 1 0 326.353 -1.856 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000968555929 672416128 /nfs/dbraw/zinc/41/61/28/672416128.db2.gz HZPPPKPEYCACQO-SNVBAGLBSA-N 1 0 347.379 -1.783 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000968555967 672416025 /nfs/dbraw/zinc/41/60/25/672416025.db2.gz JEUCVMLJSCZWCF-GHMZBOCLSA-N 1 0 346.409 -1.679 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000968555968 672416032 /nfs/dbraw/zinc/41/60/32/672416032.db2.gz JEUCVMLJSCZWCF-MNOVXSKESA-N 1 0 346.409 -1.679 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000968556154 672416088 /nfs/dbraw/zinc/41/60/88/672416088.db2.gz OUKMEOSBVSXSMT-SNVBAGLBSA-N 1 0 349.395 -1.050 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000968556365 672416053 /nfs/dbraw/zinc/41/60/53/672416053.db2.gz VXKDQWUQGNIWMH-KOLCDFICSA-N 1 0 346.347 -1.179 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000968556366 672416091 /nfs/dbraw/zinc/41/60/91/672416091.db2.gz VXKDQWUQGNIWMH-MWLCHTKSSA-N 1 0 346.347 -1.179 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)N1CCNC(=O)C1 ZINC000968556372 672416096 /nfs/dbraw/zinc/41/60/96/672416096.db2.gz WBRINUGFQRQVMP-NXEZZACHSA-N 1 0 339.352 -2.756 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)N1CCNC(=O)C1 ZINC000968556373 672416177 /nfs/dbraw/zinc/41/61/77/672416177.db2.gz WBRINUGFQRQVMP-ZJUUUORDSA-N 1 0 339.352 -2.756 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968556383 672416115 /nfs/dbraw/zinc/41/61/15/672416115.db2.gz WICQGGMVUHJONN-BDAKNGLRSA-N 1 0 325.325 -2.163 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968556384 672416182 /nfs/dbraw/zinc/41/61/82/672416182.db2.gz WICQGGMVUHJONN-RKDXNWHRSA-N 1 0 325.325 -2.163 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000968563214 672416495 /nfs/dbraw/zinc/41/64/95/672416495.db2.gz JEOWAXVKOCKDHY-BXUZGUMPSA-N 1 0 326.397 -1.848 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000968564201 672416534 /nfs/dbraw/zinc/41/65/34/672416534.db2.gz BOVPOEXYXHTFHG-BXUZGUMPSA-N 1 0 338.408 -1.209 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)nn1 ZINC000968571746 672416775 /nfs/dbraw/zinc/41/67/75/672416775.db2.gz CUPMBOZKJSNSIL-SNVBAGLBSA-N 1 0 349.395 -1.050 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(=O)n(C)c(=O)n3C)C2)nn1 ZINC000968571913 672416782 /nfs/dbraw/zinc/41/67/82/672416782.db2.gz GDOJACCPRBLBPX-SNVBAGLBSA-N 1 0 347.379 -1.783 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000968571930 672416838 /nfs/dbraw/zinc/41/68/38/672416838.db2.gz GTHFXQSMDLCHEZ-SNVBAGLBSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CCO1 ZINC000968571964 672416890 /nfs/dbraw/zinc/41/68/90/672416890.db2.gz IUWWEPCORKGBBE-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CCO1 ZINC000968571965 672416721 /nfs/dbraw/zinc/41/67/21/672416721.db2.gz IUWWEPCORKGBBE-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)o1 ZINC000968572279 672416736 /nfs/dbraw/zinc/41/67/36/672416736.db2.gz NAEYZRLEMGRJKW-GFCCVEGCSA-N 1 0 337.380 -1.030 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000968572534 672416798 /nfs/dbraw/zinc/41/67/98/672416798.db2.gz RITSWSAVUFMMPX-SNVBAGLBSA-N 1 0 347.379 -1.783 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)nn1 ZINC000968575797 672416809 /nfs/dbraw/zinc/41/68/09/672416809.db2.gz HQRUKLLFJRIVIV-LLVKDONJSA-N 1 0 342.425 -1.345 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)nn1 ZINC000968576132 672416769 /nfs/dbraw/zinc/41/67/69/672416769.db2.gz TXOOIXKSXJZMDW-SNVBAGLBSA-N 1 0 335.368 -2.422 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3cn(C)nn3)C2)CCO1 ZINC000968576265 672416802 /nfs/dbraw/zinc/41/68/02/672416802.db2.gz WMIVLVCLWIRDRK-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3cn(C)nn3)C2)CCO1 ZINC000968576266 672416794 /nfs/dbraw/zinc/41/67/94/672416794.db2.gz WMIVLVCLWIRDRK-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)o1 ZINC000968580945 672417113 /nfs/dbraw/zinc/41/71/13/672417113.db2.gz HDKLIOCGKYBBJP-SNVBAGLBSA-N 1 0 336.352 -1.337 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000968583254 672417120 /nfs/dbraw/zinc/41/71/20/672417120.db2.gz FNVBEDUYOXSLBF-SNVBAGLBSA-N 1 0 335.368 -2.422 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)n1 ZINC000968583594 672417130 /nfs/dbraw/zinc/41/71/30/672417130.db2.gz MVDYTLWIVBCRLS-LLVKDONJSA-N 1 0 342.425 -1.345 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC000968586378 672417046 /nfs/dbraw/zinc/41/70/46/672417046.db2.gz MHFUSYSODLOHHY-SNVBAGLBSA-N 1 0 335.368 -1.346 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000968586596 672417155 /nfs/dbraw/zinc/41/71/55/672417155.db2.gz RIIRZVSLDXIPLG-LLVKDONJSA-N 1 0 349.395 -1.940 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)n1 ZINC000968586798 672417031 /nfs/dbraw/zinc/41/70/31/672417031.db2.gz WYFBYYBERRMMSU-GFCCVEGCSA-N 1 0 336.396 -1.039 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000968589930 672417150 /nfs/dbraw/zinc/41/71/50/672417150.db2.gz QNSNUPFJBHPGRR-GFCCVEGCSA-N 1 0 336.396 -1.039 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000968590090 672417025 /nfs/dbraw/zinc/41/70/25/672417025.db2.gz YKKNCMJOVPBOEO-LLVKDONJSA-N 1 0 349.395 -1.940 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968594973 672417018 /nfs/dbraw/zinc/41/70/18/672417018.db2.gz AMCYLSHSCJTOSQ-SNVBAGLBSA-N 1 0 335.368 -1.346 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@@H]2CCN(C(=O)c3ncc[nH]3)C2)n(C)c1=O ZINC000968595119 672417145 /nfs/dbraw/zinc/41/71/45/672417145.db2.gz HWUVLZRLLZEOIT-SNVBAGLBSA-N 1 0 332.364 -1.189 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000968595245 672417077 /nfs/dbraw/zinc/41/70/77/672417077.db2.gz OIIZHKVAWJWKIR-NWDGAFQWSA-N 1 0 348.407 -1.062 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000968595246 672417012 /nfs/dbraw/zinc/41/70/12/672417012.db2.gz OIIZHKVAWJWKIR-VXGBXAGGSA-N 1 0 348.407 -1.062 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC000968595281 672417138 /nfs/dbraw/zinc/41/71/38/672417138.db2.gz QBVKHQXALWFBSD-CYBMUJFWSA-N 1 0 348.407 -1.096 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1)N1CCNC(=O)C1 ZINC000968603071 672417400 /nfs/dbraw/zinc/41/74/00/672417400.db2.gz XXLWIPSQFCJTEW-NXEZZACHSA-N 1 0 330.335 -1.210 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1)N1CCNC(=O)C1 ZINC000968603072 672417248 /nfs/dbraw/zinc/41/72/48/672417248.db2.gz XXLWIPSQFCJTEW-ZJUUUORDSA-N 1 0 330.335 -1.210 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC000968611920 672417348 /nfs/dbraw/zinc/41/73/48/672417348.db2.gz DOACMKZIGZEBGN-UTUOFQBUSA-N 1 0 337.384 -2.155 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC000968611921 672417371 /nfs/dbraw/zinc/41/73/71/672417371.db2.gz DOACMKZIGZEBGN-WOPDTQHZSA-N 1 0 337.384 -2.155 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC000968612128 672417421 /nfs/dbraw/zinc/41/74/21/672417421.db2.gz KUAXRLWSOPBNFH-AGIUHOORSA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC000968612129 672417296 /nfs/dbraw/zinc/41/72/96/672417296.db2.gz KUAXRLWSOPBNFH-UPJWGTAASA-N 1 0 349.391 -1.032 20 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ZINC000968717104 672424269 /nfs/dbraw/zinc/42/42/69/672424269.db2.gz GIIBUOQKJZFITR-MCIONIFRSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)ccc1=O ZINC000968717105 672424255 /nfs/dbraw/zinc/42/42/55/672424255.db2.gz GIIBUOQKJZFITR-MJBXVCDLSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)ccc1=O ZINC000968717620 672424266 /nfs/dbraw/zinc/42/42/66/672424266.db2.gz SRSYKNOAXKRDBB-KGLIPLIRSA-N 1 0 348.403 -1.217 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)n1 ZINC000968732065 672424724 /nfs/dbraw/zinc/42/47/24/672424724.db2.gz CXNWQFJDZXDMEV-LLVKDONJSA-N 1 0 349.395 -1.810 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)n1 ZINC000968732296 672424851 /nfs/dbraw/zinc/42/48/51/672424851.db2.gz MEKDRIGIAGHASB-SNVBAGLBSA-N 1 0 335.368 -2.200 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC000968732427 672424882 /nfs/dbraw/zinc/42/48/82/672424882.db2.gz NEABLOZILIJODQ-LLVKDONJSA-N 1 0 332.368 -1.499 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC000968732478 672424870 /nfs/dbraw/zinc/42/48/70/672424870.db2.gz NMALTKIWDRYWDJ-LLVKDONJSA-N 1 0 332.368 -1.499 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968732609 672424879 /nfs/dbraw/zinc/42/48/79/672424879.db2.gz QMWMSBRSNXZUSI-SNVBAGLBSA-N 1 0 347.383 -1.621 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968732724 672424849 /nfs/dbraw/zinc/42/48/49/672424849.db2.gz RMZMIWZIGDYAEH-SNVBAGLBSA-N 1 0 332.368 -1.499 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968732794 672424900 /nfs/dbraw/zinc/42/49/00/672424900.db2.gz SMXMXKLMOSDRQB-SNVBAGLBSA-N 1 0 332.368 -1.499 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968733078 672424865 /nfs/dbraw/zinc/42/48/65/672424865.db2.gz XHAMINJWGQKGOS-GFCCVEGCSA-N 1 0 346.395 -1.190 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968733183 672424875 /nfs/dbraw/zinc/42/48/75/672424875.db2.gz ZBDUPCMWQCVAAY-SECBINFHSA-N 1 0 333.356 -2.104 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)n1 ZINC000968737595 672425008 /nfs/dbraw/zinc/42/50/08/672425008.db2.gz AMRQJEOAUOUISD-LLVKDONJSA-N 1 0 332.368 -1.536 20 0 EAADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)ncn1 ZINC000968737599 672425042 /nfs/dbraw/zinc/42/50/42/672425042.db2.gz AVHMKOXXBGTCFE-LLVKDONJSA-N 1 0 344.379 -1.134 20 0 EAADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)nn1C ZINC000968737675 672424985 /nfs/dbraw/zinc/42/49/85/672424985.db2.gz DVJSVHUIKHQCNV-LLVKDONJSA-N 1 0 346.395 -1.190 20 0 EAADRO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC000968737687 672425245 /nfs/dbraw/zinc/42/52/45/672425245.db2.gz FDCFMNCWUVLOAE-LLVKDONJSA-N 1 0 344.379 -1.134 20 0 EAADRO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC000968737752 672425213 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1 0 335.368 -2.202 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC000968738130 672425236 /nfs/dbraw/zinc/42/52/36/672425236.db2.gz NWJLMHUVYSEKRL-NXEZZACHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)n1 ZINC000968738131 672425262 /nfs/dbraw/zinc/42/52/62/672425262.db2.gz NWJLMHUVYSEKRL-ZJUUUORDSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)n1 ZINC000968738144 672425222 /nfs/dbraw/zinc/42/52/22/672425222.db2.gz OIRZEGSOPCJCKN-SNVBAGLBSA-N 1 0 333.356 -2.141 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968738157 672425192 /nfs/dbraw/zinc/42/51/92/672425192.db2.gz OZTQFMDUHUAGNS-LLVKDONJSA-N 1 0 346.395 -1.456 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC000968738176 672425252 /nfs/dbraw/zinc/42/52/52/672425252.db2.gz QBNYRKLMGVSHDB-BDAKNGLRSA-N 1 0 349.351 -2.627 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000968738177 672425267 /nfs/dbraw/zinc/42/52/67/672425267.db2.gz QBNYRKLMGVSHDB-RKDXNWHRSA-N 1 0 349.351 -2.627 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC000968738294 672425182 /nfs/dbraw/zinc/42/51/82/672425182.db2.gz RDDYPKRCISTCSC-GFCCVEGCSA-N 1 0 346.395 -1.456 20 0 EAADRO Cc1nccnc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968738303 672425219 /nfs/dbraw/zinc/42/52/19/672425219.db2.gz RQPVEKMOXHCRRH-LLVKDONJSA-N 1 0 344.379 -1.134 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)n1 ZINC000968738322 672425250 /nfs/dbraw/zinc/42/52/50/672425250.db2.gz SYWMQDCOMFHFQB-LLVKDONJSA-N 1 0 349.395 -1.810 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)n1 ZINC000968738454 672425270 /nfs/dbraw/zinc/42/52/70/672425270.db2.gz VXWHOLNDFQGQSF-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)n1 ZINC000968738462 672425140 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349.395 -1.812 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1)N1CCNC(=O)C1 ZINC000968742882 672425547 /nfs/dbraw/zinc/42/55/47/672425547.db2.gz OMQBNIGRWPFZCM-OZVIIMIRSA-N 1 0 336.392 -1.828 20 0 EAADRO Cn1c(C[NH2+][C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc(=O)n(C)c1=O ZINC000968749301 672425717 /nfs/dbraw/zinc/42/57/17/672425717.db2.gz WQJRGPVCQQTYNX-JKDFXYPNSA-N 1 0 348.403 -1.189 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000968782517 672426781 /nfs/dbraw/zinc/42/67/81/672426781.db2.gz WBVZIDQWDORYES-UPJWGTAASA-N 1 0 338.408 -1.561 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000968782518 672426767 /nfs/dbraw/zinc/42/67/67/672426767.db2.gz WBVZIDQWDORYES-XQQFMLRXSA-N 1 0 338.408 -1.561 20 0 EAADRO Cn1[nH]c(CN[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nc1=O ZINC000968785436 668207276 /nfs/dbraw/zinc/20/72/76/668207276.db2.gz BGAYGGJORWDSFV-SECBINFHSA-N 1 0 329.382 -2.157 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](NCc2ncnn2CCF)C1 ZINC000968785465 668207063 /nfs/dbraw/zinc/20/70/63/668207063.db2.gz CNOOPHVVSHKBGN-LLVKDONJSA-N 1 0 345.400 -1.017 20 0 EAADRO CN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC000968785562 672426772 /nfs/dbraw/zinc/42/67/72/672426772.db2.gz HSTPLAXANRAACX-NEPJUHHUSA-N 1 0 329.422 -1.158 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC000968785563 672426786 /nfs/dbraw/zinc/42/67/86/672426786.db2.gz HSTPLAXANRAACX-VXGBXAGGSA-N 1 0 329.422 -1.158 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)N1CCOCC1 ZINC000968785589 672426823 /nfs/dbraw/zinc/42/68/23/672426823.db2.gz IZQMBVFYGZOFHQ-GFCCVEGCSA-N 1 0 345.421 -1.920 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000968785611 672426851 /nfs/dbraw/zinc/42/68/51/672426851.db2.gz KEBDAYWNCCCESS-LLVKDONJSA-N 1 0 330.410 -1.753 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000968785661 672426861 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C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N1C(=O)CCC1=O ZINC000968845968 672427725 /nfs/dbraw/zinc/42/77/25/672427725.db2.gz YJVNLCJAFLIWOS-VXGBXAGGSA-N 1 0 336.392 -1.053 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC000968850711 672427731 /nfs/dbraw/zinc/42/77/31/672427731.db2.gz FSAROLJHLKKBNQ-GHMZBOCLSA-N 1 0 335.364 -2.374 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)c1=O ZINC000968850712 672427755 /nfs/dbraw/zinc/42/77/55/672427755.db2.gz FSAROLJHLKKBNQ-MNOVXSKESA-N 1 0 335.364 -2.374 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC000968850971 672427617 /nfs/dbraw/zinc/42/76/17/672427617.db2.gz IRIOZCALDSRUEH-NEPJUHHUSA-N 1 0 349.391 -1.984 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC000968850972 672427655 /nfs/dbraw/zinc/42/76/55/672427655.db2.gz IRIOZCALDSRUEH-VXGBXAGGSA-N 1 0 349.391 -1.984 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)c1=O 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EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000968854384 672427768 /nfs/dbraw/zinc/42/77/68/672427768.db2.gz IOUWCVJTCULXRH-LLVKDONJSA-N 1 0 347.379 -1.934 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1)N1CCC1 ZINC000968854439 672427677 /nfs/dbraw/zinc/42/76/77/672427677.db2.gz MBXVXYFOYPANKV-GFCCVEGCSA-N 1 0 344.437 -1.555 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000968854513 672427962 /nfs/dbraw/zinc/42/79/62/672427962.db2.gz QGYKGIJJWQZNBO-NEPJUHHUSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000968854514 672427850 /nfs/dbraw/zinc/42/78/50/672427850.db2.gz QGYKGIJJWQZNBO-VXGBXAGGSA-N 1 0 344.437 -1.509 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)c1=O ZINC000968854517 672427958 /nfs/dbraw/zinc/42/79/58/672427958.db2.gz QODUFYYXLMEFHL-GFCCVEGCSA-N 1 0 349.391 -2.030 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000968854546 672427941 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Cn1ccc(C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)n1 ZINC000969092641 672444246 /nfs/dbraw/zinc/44/42/46/672444246.db2.gz MFADGGYJKBGKEU-OLZOCXBDSA-N 1 0 333.392 -1.183 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092693 672444297 /nfs/dbraw/zinc/44/42/97/672444297.db2.gz OQUMRNBXENGEGY-OLZOCXBDSA-N 1 0 349.391 -1.296 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)nn1 ZINC000969092697 672444552 /nfs/dbraw/zinc/44/45/52/672444552.db2.gz OSPPBYKTRFXNOP-YPMHNXCESA-N 1 0 348.407 -1.305 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092719 672444465 /nfs/dbraw/zinc/44/44/65/672444465.db2.gz PQESAPCWWCSBNL-MNOVXSKESA-N 1 0 349.391 -1.179 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092723 672444288 /nfs/dbraw/zinc/44/42/88/672444288.db2.gz PSIYADMKPMACFZ-KGLIPLIRSA-N 1 0 347.419 -1.025 20 0 EAADRO 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CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119048 668197915 /nfs/dbraw/zinc/19/79/15/668197915.db2.gz NGGKEISNOBPCCL-KOLCDFICSA-N 1 0 335.368 -1.413 20 0 EAADRO COc1cncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC000970119403 668198058 /nfs/dbraw/zinc/19/80/58/668198058.db2.gz VEVCZWDKHGTCFS-KOLCDFICSA-N 1 0 348.363 -1.226 20 0 EAADRO CCn1nnc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119405 668197939 /nfs/dbraw/zinc/19/79/39/668197939.db2.gz VJRJKEGETOWHNU-MNOVXSKESA-N 1 0 349.395 -1.105 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC000970119758 668197984 /nfs/dbraw/zinc/19/79/84/668197984.db2.gz ZJAGITFYRGLPLI-MXWKQRLJSA-N 1 0 337.380 -1.604 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC000970119759 668197848 /nfs/dbraw/zinc/19/78/48/668197848.db2.gz ZJAGITFYRGLPLI-VWYCJHECSA-N 1 0 337.380 -1.604 20 0 EAADRO Cc1ccnn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000970128053 668198507 /nfs/dbraw/zinc/19/85/07/668198507.db2.gz ZFIAJPDLYIWEJW-CYBMUJFWSA-N 1 0 348.407 -1.660 20 0 EAADRO Cc1ccnn1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000970134322 668199075 /nfs/dbraw/zinc/19/90/75/668199075.db2.gz WKHSQFLCYOMRFS-GFCCVEGCSA-N 1 0 334.380 -1.066 20 0 EAADRO CCc1oncc1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000970137090 668199609 /nfs/dbraw/zinc/19/96/09/668199609.db2.gz IVDCSYYGUYXQMZ-LLVKDONJSA-N 1 0 349.391 -1.001 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000970144638 668200419 /nfs/dbraw/zinc/20/04/19/668200419.db2.gz NLZMRTVYXQFHGR-MNOVXSKESA-N 1 0 338.364 -1.482 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC000970151985 668202945 /nfs/dbraw/zinc/20/29/45/668202945.db2.gz SESLNMCHVYGTPT-UTUOFQBUSA-N 1 0 335.364 -1.834 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC000970151987 668202851 /nfs/dbraw/zinc/20/28/51/668202851.db2.gz SESLNMCHVYGTPT-WOPDTQHZSA-N 1 0 335.364 -1.834 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)CC1 ZINC000970153458 668203484 /nfs/dbraw/zinc/20/34/84/668203484.db2.gz FOCNKMCPPKHRCC-OLZOCXBDSA-N 1 0 349.391 -1.587 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)[NH+](C)C ZINC000970153482 668203489 /nfs/dbraw/zinc/20/34/89/668203489.db2.gz GANIZHXAGJPKAG-UTUOFQBUSA-N 1 0 337.380 -1.588 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)[NH+](C)C ZINC000970153485 668203365 /nfs/dbraw/zinc/20/33/65/668203365.db2.gz GANIZHXAGJPKAG-WOPDTQHZSA-N 1 0 337.380 -1.588 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)C1 ZINC000970153553 668203401 /nfs/dbraw/zinc/20/34/01/668203401.db2.gz HKAZSRKWELRKCG-RTXFEEFZSA-N 1 0 349.391 -1.587 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)C1 ZINC000970153554 668203332 /nfs/dbraw/zinc/20/33/32/668203332.db2.gz HKAZSRKWELRKCG-UHTWSYAYSA-N 1 0 349.391 -1.587 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)CCC1 ZINC000970153596 668203536 /nfs/dbraw/zinc/20/35/36/668203536.db2.gz ICXZGZMJXSFSRN-NEPJUHHUSA-N 1 0 349.391 -1.444 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC000970154877 668203496 /nfs/dbraw/zinc/20/34/96/668203496.db2.gz YLXIOVBKQOKHSP-NEPJUHHUSA-N 1 0 347.375 -1.833 20 0 EAADRO O=C(C1CCS(=O)(=O)CC1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970155646 668204073 /nfs/dbraw/zinc/20/40/73/668204073.db2.gz RPFNFRXWUSNAHM-NEPJUHHUSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C(C1CCS(=O)(=O)CC1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970155648 668203967 /nfs/dbraw/zinc/20/39/67/668203967.db2.gz RPFNFRXWUSNAHM-VXGBXAGGSA-N 1 0 329.422 -1.110 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC000970156339 668204099 /nfs/dbraw/zinc/20/40/99/668204099.db2.gz BRYRCHNAGZBVKF-RTXFEEFZSA-N 1 0 349.391 -1.444 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC000970156341 668203911 /nfs/dbraw/zinc/20/39/11/668203911.db2.gz BRYRCHNAGZBVKF-UHTWSYAYSA-N 1 0 349.391 -1.444 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)C1CCC1 ZINC000970156545 668204091 /nfs/dbraw/zinc/20/40/91/668204091.db2.gz GKBDWOBKZQHXCP-OLZOCXBDSA-N 1 0 349.391 -1.444 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)C1CC1 ZINC000970157653 668204431 /nfs/dbraw/zinc/20/44/31/668204431.db2.gz ARWVTRLBGBOFEB-DYEKYZERSA-N 1 0 349.391 -1.588 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)C1CC1 ZINC000970157654 668204515 /nfs/dbraw/zinc/20/45/15/668204515.db2.gz ARWVTRLBGBOFEB-MBNYWOFBSA-N 1 0 349.391 -1.588 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC000970157865 668204052 /nfs/dbraw/zinc/20/40/52/668204052.db2.gz YTLXWFXJWYPOLY-AGIUHOORSA-N 1 0 349.391 -1.444 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC000970157867 668203943 /nfs/dbraw/zinc/20/39/43/668203943.db2.gz YTLXWFXJWYPOLY-UPJWGTAASA-N 1 0 349.391 -1.444 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970158120 668203957 /nfs/dbraw/zinc/20/39/57/668203957.db2.gz HGRFLNHICJCSPH-WFFHOREQSA-N 1 0 349.391 -1.588 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)C1 ZINC000970158126 668203900 /nfs/dbraw/zinc/20/39/00/668203900.db2.gz HPGPPXLZFYVZIF-RTXFEEFZSA-N 1 0 349.391 -1.587 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)C1 ZINC000970158127 668203951 /nfs/dbraw/zinc/20/39/51/668203951.db2.gz HPGPPXLZFYVZIF-UHTWSYAYSA-N 1 0 349.391 -1.587 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)C1 ZINC000970158929 668204509 /nfs/dbraw/zinc/20/45/09/668204509.db2.gz RZPRWCPZYDBYHY-JLLWLGSASA-N 1 0 335.364 -1.977 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)C1 ZINC000970158930 668204518 /nfs/dbraw/zinc/20/45/18/668204518.db2.gz RZPRWCPZYDBYHY-WCQGTBRESA-N 1 0 335.364 -1.977 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC000970159529 668204407 /nfs/dbraw/zinc/20/44/07/668204407.db2.gz XUPPDDULYHZVCD-NEPJUHHUSA-N 1 0 335.364 -1.833 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)c(=O)n(C)c1=O ZINC000970160224 668204606 /nfs/dbraw/zinc/20/46/06/668204606.db2.gz ARQBIBQFVFLQFL-LLVKDONJSA-N 1 0 347.379 -1.820 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000970160253 668204422 /nfs/dbraw/zinc/20/44/22/668204422.db2.gz BKRODDAXUWPVPH-SNVBAGLBSA-N 1 0 347.379 -1.783 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(N)=O ZINC000970160259 668204440 /nfs/dbraw/zinc/20/44/40/668204440.db2.gz BQMAGOFILXZRER-KOLCDFICSA-N 1 0 337.380 -1.848 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(N)=O ZINC000970160261 668204528 /nfs/dbraw/zinc/20/45/28/668204528.db2.gz BQMAGOFILXZRER-MWLCHTKSSA-N 1 0 337.380 -1.848 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)c(=O)n(C)c1=O ZINC000970160269 668204523 /nfs/dbraw/zinc/20/45/23/668204523.db2.gz BZNBJYQAGPITPL-LLVKDONJSA-N 1 0 349.391 -1.880 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC000970160271 668204569 /nfs/dbraw/zinc/20/45/69/668204569.db2.gz CAZRTSFZXFMTSR-KOLCDFICSA-N 1 0 335.364 -2.223 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC000970160273 668204451 /nfs/dbraw/zinc/20/44/51/668204451.db2.gz CAZRTSFZXFMTSR-MWLCHTKSSA-N 1 0 335.364 -2.223 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000970160339 668204584 /nfs/dbraw/zinc/20/45/84/668204584.db2.gz DERRKVOHBQUAHQ-LLVKDONJSA-N 1 0 346.391 -1.178 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1=O ZINC000970160346 668204579 /nfs/dbraw/zinc/20/45/79/668204579.db2.gz DIHZPMPZMRTZQW-PWSUYJOCSA-N 1 0 349.391 -1.881 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1=O ZINC000970160348 668204493 /nfs/dbraw/zinc/20/44/93/668204493.db2.gz DIHZPMPZMRTZQW-ZYHUDNBSSA-N 1 0 349.391 -1.881 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000970160616 668204545 /nfs/dbraw/zinc/20/45/45/668204545.db2.gz GZGOBYGTMCABLH-GFCCVEGCSA-N 1 0 346.391 -1.178 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)c(=O)n(C)c1=O ZINC000970160628 668204501 /nfs/dbraw/zinc/20/45/01/668204501.db2.gz HEOZAVKKPKEYKY-GFCCVEGCSA-N 1 0 346.391 -1.215 20 0 EAADRO CC(C)(C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)S(C)(=O)=O ZINC000970160661 668205191 /nfs/dbraw/zinc/20/51/91/668205191.db2.gz HNJRMGUMRHLFKU-NXEZZACHSA-N 1 0 345.421 -1.195 20 0 EAADRO CC(C)(C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)S(C)(=O)=O ZINC000970160738 668205007 /nfs/dbraw/zinc/20/50/07/668205007.db2.gz HNJRMGUMRHLFKU-ZJUUUORDSA-N 1 0 345.421 -1.195 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC000970160946 668205071 /nfs/dbraw/zinc/20/50/71/668205071.db2.gz JJSQGWXTLLVGGI-NXEZZACHSA-N 1 0 333.352 -2.045 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC000970160954 668205011 /nfs/dbraw/zinc/20/50/11/668205011.db2.gz JJSQGWXTLLVGGI-VHSXEESVSA-N 1 0 333.352 -2.045 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c(=O)n(C)c1=O ZINC000970160989 668205272 /nfs/dbraw/zinc/20/52/72/668205272.db2.gz KBOULPCBHVXITL-PWSUYJOCSA-N 1 0 349.391 -1.833 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c(=O)n(C)c1=O ZINC000970160990 668204971 /nfs/dbraw/zinc/20/49/71/668204971.db2.gz KBOULPCBHVXITL-ZYHUDNBSSA-N 1 0 349.391 -1.833 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970161058 668204980 /nfs/dbraw/zinc/20/49/80/668204980.db2.gz LVOOAWXTOORJKT-GHMZBOCLSA-N 1 0 345.363 -2.030 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970161060 668205078 /nfs/dbraw/zinc/20/50/78/668205078.db2.gz LVOOAWXTOORJKT-MNOVXSKESA-N 1 0 345.363 -2.030 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000970161887 668205001 /nfs/dbraw/zinc/20/50/01/668205001.db2.gz STXJNRQEBQQQPP-SNVBAGLBSA-N 1 0 348.363 -1.469 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC000970161888 668204902 /nfs/dbraw/zinc/20/49/02/668204902.db2.gz SVUIZVFGWLIMLU-GHMZBOCLSA-N 1 0 347.379 -1.655 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC000970161891 668205197 /nfs/dbraw/zinc/20/51/97/668205197.db2.gz SVUIZVFGWLIMLU-MNOVXSKESA-N 1 0 347.379 -1.655 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)c(=O)n(C)c1=O ZINC000970162114 668205297 /nfs/dbraw/zinc/20/52/97/668205297.db2.gz XUYMOMAARGDCBU-NWDGAFQWSA-N 1 0 336.392 -1.075 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)c(=O)n(C)c1=O ZINC000970162115 668205287 /nfs/dbraw/zinc/20/52/87/668205287.db2.gz XUYMOMAARGDCBU-VXGBXAGGSA-N 1 0 336.392 -1.075 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C2)cn1 ZINC000970162245 668204943 /nfs/dbraw/zinc/20/49/43/668204943.db2.gz YPTDGNHQTXDZHV-LLVKDONJSA-N 1 0 348.363 -1.469 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)cn1 ZINC000970162286 668205221 /nfs/dbraw/zinc/20/52/21/668205221.db2.gz ZLEFHOJKKKPEBQ-GFCCVEGCSA-N 1 0 346.391 -1.178 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000970162292 668205058 /nfs/dbraw/zinc/20/50/58/668205058.db2.gz ZNVHPOYRXXLDJR-LLVKDONJSA-N 1 0 346.391 -1.178 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000970163080 668205290 /nfs/dbraw/zinc/20/52/90/668205290.db2.gz AZRNILGFTFJFSB-SECBINFHSA-N 1 0 349.351 -2.074 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000970163206 668205122 /nfs/dbraw/zinc/20/51/22/668205122.db2.gz DQEYSVOGVGUBPO-SNVBAGLBSA-N 1 0 348.363 -1.469 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1=O ZINC000970163787 668205208 /nfs/dbraw/zinc/20/52/08/668205208.db2.gz HPRXSQWFIVMRAY-SNVBAGLBSA-N 1 0 349.351 -2.111 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)C1=O ZINC000970163873 668205235 /nfs/dbraw/zinc/20/52/35/668205235.db2.gz JAZCAYJHQQNFBT-LLVKDONJSA-N 1 0 348.363 -1.506 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C2)n1 ZINC000970164951 668205955 /nfs/dbraw/zinc/20/59/55/668205955.db2.gz NGCWWCVMBDLPAK-LLVKDONJSA-N 1 0 348.363 -1.469 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1=O ZINC000970164970 668205995 /nfs/dbraw/zinc/20/59/95/668205995.db2.gz NXMYJJOOMIYKDD-GHMZBOCLSA-N 1 0 338.364 -1.366 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1=O ZINC000970164972 668205866 /nfs/dbraw/zinc/20/58/66/668205866.db2.gz 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EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC000970166241 668205771 /nfs/dbraw/zinc/20/57/71/668205771.db2.gz XZCQOOVMVLULGH-RKDXNWHRSA-N 1 0 337.336 -2.514 20 0 EAADRO CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000970173206 668207777 /nfs/dbraw/zinc/20/77/77/668207777.db2.gz DVZBUAOJSQOWON-GFCCVEGCSA-N 1 0 348.407 -1.335 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@@H](O)C2)CC1 ZINC000970179610 668208957 /nfs/dbraw/zinc/20/89/57/668208957.db2.gz DPOHFRHLFGADPN-TUAOUCFPSA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)[C@@H](O)C2)CC1 ZINC000970179612 668208933 /nfs/dbraw/zinc/20/89/33/668208933.db2.gz DPOHFRHLFGADPN-UTUOFQBUSA-N 1 0 339.396 -2.303 20 0 EAADRO COc1cncc(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC000970180873 668210209 /nfs/dbraw/zinc/21/02/09/668210209.db2.gz ZOKMCYSSLNGWCC-SNVBAGLBSA-N 1 0 348.363 -1.159 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC000970181144 668210924 /nfs/dbraw/zinc/21/09/24/668210924.db2.gz UAFXWCIMIKIYJU-AXFHLTTASA-N 1 0 337.380 -2.549 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC000970181145 668210930 /nfs/dbraw/zinc/21/09/30/668210930.db2.gz UAFXWCIMIKIYJU-MXWKQRLJSA-N 1 0 337.380 -2.549 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1)C1CCC1 ZINC000970182995 668211996 /nfs/dbraw/zinc/21/19/96/668211996.db2.gz NOMRCXWUTDMLQX-TUAOUCFPSA-N 1 0 339.396 -2.160 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1)C1CCC1 ZINC000970182996 668212017 /nfs/dbraw/zinc/21/20/17/668212017.db2.gz NOMRCXWUTDMLQX-UTUOFQBUSA-N 1 0 339.396 -2.160 20 0 EAADRO C[C@@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970184414 668212413 /nfs/dbraw/zinc/21/24/13/668212413.db2.gz KAXPMXFXNMNAAX-LLVKDONJSA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970184416 668212440 /nfs/dbraw/zinc/21/24/40/668212440.db2.gz KAXPMXFXNMNAAX-NSHDSACASA-N 1 0 348.407 -1.144 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@@H](O)C2)CCC1 ZINC000970188531 668214298 /nfs/dbraw/zinc/21/42/98/668214298.db2.gz UDCZZLQSVRKADW-AXFHLTTASA-N 1 0 339.396 -2.160 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)[C@@H](O)C2)CCC1 ZINC000970188532 668214246 /nfs/dbraw/zinc/21/42/46/668214246.db2.gz UDCZZLQSVRKADW-MXWKQRLJSA-N 1 0 339.396 -2.160 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC000970188885 668214370 /nfs/dbraw/zinc/21/43/70/668214370.db2.gz YHWHTGOYLJNLSY-AXFHLTTASA-N 1 0 325.369 -2.549 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC000970188886 668214282 /nfs/dbraw/zinc/21/42/82/668214282.db2.gz YHWHTGOYLJNLSY-MXWKQRLJSA-N 1 0 325.369 -2.549 20 0 EAADRO CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970192858 668214779 /nfs/dbraw/zinc/21/47/79/668214779.db2.gz JIKOFLDYWVUKJG-JQWIXIFHSA-N 1 0 331.438 -1.008 20 0 EAADRO CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970192859 668215041 /nfs/dbraw/zinc/21/50/41/668215041.db2.gz JIKOFLDYWVUKJG-PWSUYJOCSA-N 1 0 331.438 -1.008 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1C[NH+](CC2CC2)C1 ZINC000970193747 668216662 /nfs/dbraw/zinc/21/66/62/668216662.db2.gz VGMPQUASTMUVEL-CABZTGNLSA-N 1 0 329.422 -1.254 20 0 EAADRO C[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1C[NH+](CC2CC2)C1 ZINC000970193748 668216568 /nfs/dbraw/zinc/21/65/68/668216568.db2.gz VGMPQUASTMUVEL-SKDRFNHKSA-N 1 0 329.422 -1.254 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC000970195199 668217209 /nfs/dbraw/zinc/21/72/09/668217209.db2.gz AGAUQVNTJDAFAI-OLZOCXBDSA-N 1 0 334.376 -1.465 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1O 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Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000970258813 668232723 /nfs/dbraw/zinc/23/27/23/668232723.db2.gz KFKWVPHVUPNPMS-OLZOCXBDSA-N 1 0 337.380 -1.296 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000970262428 668233504 /nfs/dbraw/zinc/23/35/04/668233504.db2.gz FVDXIYAMQJXDHB-SNVBAGLBSA-N 1 0 335.368 -2.422 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC000970267057 668234123 /nfs/dbraw/zinc/23/41/23/668234123.db2.gz VUIYQJISTNQCPT-OLZOCXBDSA-N 1 0 340.424 -1.330 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC000970268255 668233903 /nfs/dbraw/zinc/23/39/03/668233903.db2.gz RKFCNKHOWBRDNU-NEPJUHHUSA-N 1 0 326.397 -1.720 20 0 EAADRO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970271498 668234451 /nfs/dbraw/zinc/23/44/51/668234451.db2.gz QKKJSRGAWGGGLH-CMPLNLGQSA-N 1 0 338.412 -1.528 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970271499 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CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC000970282935 668236211 /nfs/dbraw/zinc/23/62/11/668236211.db2.gz BMDGXRPMLFKZOR-MNOVXSKESA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC000970282937 668236229 /nfs/dbraw/zinc/23/62/29/668236229.db2.gz BQGHTVYPDCQIEH-GFCCVEGCSA-N 1 0 334.380 -1.295 20 0 EAADRO Cc1n[nH]c(C)c1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000970282964 668236248 /nfs/dbraw/zinc/23/62/48/668236248.db2.gz DOHATEWXAQOUJE-GFCCVEGCSA-N 1 0 348.407 -1.211 20 0 EAADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1C ZINC000970282978 668236057 /nfs/dbraw/zinc/23/60/57/668236057.db2.gz FBGAFMHVGOCDQJ-LLVKDONJSA-N 1 0 334.380 -1.029 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970282990 668236127 /nfs/dbraw/zinc/23/61/27/668236127.db2.gz FLMJGUIOISQZSQ-LLVKDONJSA-N 1 0 334.380 -1.295 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC000970283025 668235882 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/nfs/dbraw/zinc/29/42/90/668294290.db2.gz HYLIOJFGNXWKNM-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)nn1 ZINC000970795877 668294228 /nfs/dbraw/zinc/29/42/28/668294228.db2.gz HYLIOJFGNXWKNM-VXGBXAGGSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)nn1 ZINC000970795902 668294549 /nfs/dbraw/zinc/29/45/49/668294549.db2.gz IJCIMWXPSJXXFJ-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)nn1 ZINC000970795904 668294776 /nfs/dbraw/zinc/29/47/76/668294776.db2.gz IJCIMWXPSJXXFJ-VXGBXAGGSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC000970795916 668295351 /nfs/dbraw/zinc/29/53/51/668295351.db2.gz IMPAKQQBKMDQNI-NXEZZACHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC000970795919 668295157 /nfs/dbraw/zinc/29/51/57/668295157.db2.gz IMPAKQQBKMDQNI-ZJUUUORDSA-N 1 0 335.368 -2.154 20 0 EAADRO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000970796163 668295192 /nfs/dbraw/zinc/29/51/92/668295192.db2.gz ODGPRLBMVORJBY-AGIUHOORSA-N 1 0 340.424 -1.186 20 0 EAADRO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000970796165 668295216 /nfs/dbraw/zinc/29/52/16/668295216.db2.gz ODGPRLBMVORJBY-UPJWGTAASA-N 1 0 340.424 -1.186 20 0 EAADRO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC000970796235 668295405 /nfs/dbraw/zinc/29/54/05/668295405.db2.gz JREGEZUIJHRLRE-LLVKDONJSA-N 1 0 344.379 -1.134 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC000970796262 668295422 /nfs/dbraw/zinc/29/54/22/668295422.db2.gz KWRURKAKLHQVFP-SNVBAGLBSA-N 1 0 335.368 -2.200 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000970796274 668295342 /nfs/dbraw/zinc/29/53/42/668295342.db2.gz LPPQVSZCTQDNBE-GHMZBOCLSA-N 1 0 349.395 -1.812 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000970796275 668295440 /nfs/dbraw/zinc/29/54/40/668295440.db2.gz LPPQVSZCTQDNBE-MNOVXSKESA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000970796564 668295388 /nfs/dbraw/zinc/29/53/88/668295388.db2.gz OJNIXHPNNMEGQA-GHMZBOCLSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000970796569 668295113 /nfs/dbraw/zinc/29/51/13/668295113.db2.gz OJNIXHPNNMEGQA-MNOVXSKESA-N 1 0 349.395 -1.812 20 0 EAADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1C ZINC000970796612 668295457 /nfs/dbraw/zinc/29/54/57/668295457.db2.gz PDFPFAZCTWJOSG-LLVKDONJSA-N 1 0 346.395 -1.190 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970796702 668295038 /nfs/dbraw/zinc/29/50/38/668295038.db2.gz QVFSKZUHOXYIFV-LLVKDONJSA-N 1 0 346.395 -1.456 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)nn1 ZINC000970796705 668295471 /nfs/dbraw/zinc/29/54/71/668295471.db2.gz RCDSTKKQFRAKMZ-LLVKDONJSA-N 1 0 349.395 -1.810 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970796720 668295435 /nfs/dbraw/zinc/29/54/35/668295435.db2.gz ROYRDGIATRFFOO-SECBINFHSA-N 1 0 333.356 -2.104 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC000970796727 668295465 /nfs/dbraw/zinc/29/54/65/668295465.db2.gz RYLKTWNYVMEIHD-LLVKDONJSA-N 1 0 332.368 -1.499 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)nn1 ZINC000970796728 668295245 /nfs/dbraw/zinc/29/52/45/668295245.db2.gz RZNLOEICBJMORT-LLVKDONJSA-N 1 0 349.395 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC000970796740 668295182 /nfs/dbraw/zinc/29/51/82/668295182.db2.gz TZGHNRJRYTWZHI-BDAKNGLRSA-N 1 0 349.351 -2.627 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC000970796741 668295010 /nfs/dbraw/zinc/29/50/10/668295010.db2.gz TZGHNRJRYTWZHI-RKDXNWHRSA-N 1 0 349.351 -2.627 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)nn1 ZINC000970797005 668295380 /nfs/dbraw/zinc/29/53/80/668295380.db2.gz VBZGZYAVIKWASR-LLVKDONJSA-N 1 0 332.368 -1.536 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC000970797013 668295303 /nfs/dbraw/zinc/29/53/03/668295303.db2.gz VIRRXABGARCVLE-LLVKDONJSA-N 1 0 332.368 -1.499 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000970797037 668295072 /nfs/dbraw/zinc/29/50/72/668295072.db2.gz VZMQSRXBZGBKKL-NXEZZACHSA-N 1 0 335.368 -2.202 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000970797038 668295382 /nfs/dbraw/zinc/29/53/82/668295382.db2.gz VZMQSRXBZGBKKL-ZJUUUORDSA-N 1 0 335.368 -2.202 20 0 EAADRO CCn1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC000970797044 668295044 /nfs/dbraw/zinc/29/50/44/668295044.db2.gz WICRUCPCFXIDSW-GFCCVEGCSA-N 1 0 346.395 -1.016 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970797047 668295142 /nfs/dbraw/zinc/29/51/42/668295142.db2.gz WKEXTDFYNIENCB-SNVBAGLBSA-N 1 0 332.368 -1.499 20 0 EAADRO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC000970797091 668295444 /nfs/dbraw/zinc/29/54/44/668295444.db2.gz XWDFUKZRZZZARR-GFCCVEGCSA-N 1 0 344.379 -1.134 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC000970797103 668295411 /nfs/dbraw/zinc/29/54/11/668295411.db2.gz YHBAXDPADCMZMV-GFCCVEGCSA-N 1 0 346.395 -1.456 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970797136 668295023 /nfs/dbraw/zinc/29/50/23/668295023.db2.gz YSSGPMOGDABMSB-SNVBAGLBSA-N 1 0 347.383 -1.621 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970797139 668295372 /nfs/dbraw/zinc/29/53/72/668295372.db2.gz YTSVUWKLUOGIGU-GFCCVEGCSA-N 1 0 346.395 -1.190 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1)C(N)=O ZINC000970799367 668295359 /nfs/dbraw/zinc/29/53/59/668295359.db2.gz ARWVQAMYPDJLJQ-NXEZZACHSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1)C(N)=O ZINC000970799368 668295265 /nfs/dbraw/zinc/29/52/65/668295265.db2.gz ARWVQAMYPDJLJQ-VHSXEESVSA-N 1 0 337.384 -1.956 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC000970800795 668295950 /nfs/dbraw/zinc/29/59/50/668295950.db2.gz VGVXPQOYOMOVRE-GHMZBOCLSA-N 1 0 349.395 -1.941 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC000970800796 668296027 /nfs/dbraw/zinc/29/60/27/668296027.db2.gz VGVXPQOYOMOVRE-MNOVXSKESA-N 1 0 349.395 -1.941 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)n(C)c1=O ZINC000970818524 668298421 /nfs/dbraw/zinc/29/84/21/668298421.db2.gz CBKSJTWSIKSYBU-LLVKDONJSA-N 1 0 349.391 -1.323 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)n(C)c1=O ZINC000970819217 668298485 /nfs/dbraw/zinc/29/84/85/668298485.db2.gz MWCDWTBCRWSKMD-LLVKDONJSA-N 1 0 336.396 -1.447 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC000970820150 668299033 /nfs/dbraw/zinc/29/90/33/668299033.db2.gz XDTOALZWSMHQMW-NXEZZACHSA-N 1 0 335.364 -1.667 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC000970820151 668299208 /nfs/dbraw/zinc/29/92/08/668299208.db2.gz XDTOALZWSMHQMW-ZJUUUORDSA-N 1 0 335.364 -1.667 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970824365 668299088 /nfs/dbraw/zinc/29/90/88/668299088.db2.gz NRMKBEUZTMPWTR-FRRDWIJNSA-N 1 0 336.392 -1.007 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970824371 668299249 /nfs/dbraw/zinc/29/92/49/668299249.db2.gz NRMKBEUZTMPWTR-JHJVBQTASA-N 1 0 336.392 -1.007 20 0 EAADRO NC(=O)c1cccc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC000970829975 668300424 /nfs/dbraw/zinc/30/04/24/668300424.db2.gz WFAOKFRNRLGKFS-KOLCDFICSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1cccc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000970829976 668300627 /nfs/dbraw/zinc/30/06/27/668300627.db2.gz WFAOKFRNRLGKFS-MWLCHTKSSA-N 1 0 345.359 -1.210 20 0 EAADRO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970847121 668301201 /nfs/dbraw/zinc/30/12/01/668301201.db2.gz ZTCOVUFWGUXEIX-LLVKDONJSA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970847122 668301099 /nfs/dbraw/zinc/30/10/99/668301099.db2.gz ZTCOVUFWGUXEIX-NSHDSACASA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@H](NC(=O)c1nccnc1C(N)=O)C1C[NH+](CCn2cncn2)C1 ZINC000970851107 668302019 /nfs/dbraw/zinc/30/20/19/668302019.db2.gz JVQVQTWGEOFJBJ-JTQLQIEISA-N 1 0 344.379 -1.083 20 0 EAADRO C[C@@H](NC(=O)c1nccnc1C(N)=O)C1C[NH+](CCn2cncn2)C1 ZINC000970851108 668301761 /nfs/dbraw/zinc/30/17/61/668301761.db2.gz JVQVQTWGEOFJBJ-SNVBAGLBSA-N 1 0 344.379 -1.083 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC000970852247 668301862 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668261557 /nfs/dbraw/zinc/26/15/57/668261557.db2.gz TXTNEGAGNNQJRG-IEECTRCBSA-N 1 0 335.408 -1.465 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)NC1=O ZINC000976533843 668261630 /nfs/dbraw/zinc/26/16/30/668261630.db2.gz TXTNEGAGNNQJRG-KIJLLGNVSA-N 1 0 335.408 -1.465 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)NC1=O ZINC000976533844 668261804 /nfs/dbraw/zinc/26/18/04/668261804.db2.gz TXTNEGAGNNQJRG-LBELIVKGSA-N 1 0 335.408 -1.465 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC(=O)NC4=O)C[C@H]32)C1 ZINC000976534271 668261581 /nfs/dbraw/zinc/26/15/81/668261581.db2.gz WTEZNSWBAKVMIJ-CYRTVHNOSA-N 1 0 348.403 -1.436 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC(=O)NC4=O)C[C@H]32)C1 ZINC000976534273 668261797 /nfs/dbraw/zinc/26/17/97/668261797.db2.gz WTEZNSWBAKVMIJ-QHUBEEEXSA-N 1 0 348.403 -1.436 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC(=O)NC4=O)C[C@H]32)C1 ZINC000976534276 668261962 /nfs/dbraw/zinc/26/19/62/668261962.db2.gz WTEZNSWBAKVMIJ-TVEHIPJCSA-N 1 0 348.403 -1.436 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC(=O)NC4=O)C[C@H]32)C1 ZINC000976534278 668261916 /nfs/dbraw/zinc/26/19/16/668261916.db2.gz WTEZNSWBAKVMIJ-VINAVUOLSA-N 1 0 348.403 -1.436 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4CC(=O)NC(=O)C4)C[C@H]32)C1 ZINC000976534333 668261573 /nfs/dbraw/zinc/26/15/73/668261573.db2.gz CPTDLVSEEHEWFW-APAOZMKASA-N 1 0 348.403 -1.436 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4CC(=O)NC(=O)C4)C[C@H]32)C1 ZINC000976534336 668261591 /nfs/dbraw/zinc/26/15/91/668261591.db2.gz CPTDLVSEEHEWFW-NYMYIZQJSA-N 1 0 348.403 -1.436 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000976534433 668261837 /nfs/dbraw/zinc/26/18/37/668261837.db2.gz DNAPEHGLLSWMDW-RZFFKMDDSA-N 1 0 334.420 -1.011 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000976534435 668261891 /nfs/dbraw/zinc/26/18/91/668261891.db2.gz DNAPEHGLLSWMDW-SPWCGHHHSA-N 1 0 334.420 -1.011 20 0 EAADRO CN1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976534685 668261532 /nfs/dbraw/zinc/26/15/32/668261532.db2.gz CQCCCQHEDDHPIH-CTASWTNQSA-N 1 0 336.436 -1.014 20 0 EAADRO CN1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976534687 668261649 /nfs/dbraw/zinc/26/16/49/668261649.db2.gz CQCCCQHEDDHPIH-KNCOVGOOSA-N 1 0 336.436 -1.014 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@H]32)C1 ZINC000976535105 668261719 /nfs/dbraw/zinc/26/17/19/668261719.db2.gz DQMNIKOHIUOMJC-KZWBYHQPSA-N 1 0 331.376 -1.092 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@H]32)C1 ZINC000976535108 668261522 /nfs/dbraw/zinc/26/15/22/668261522.db2.gz DQMNIKOHIUOMJC-PUHVVEEASA-N 1 0 331.376 -1.092 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]21 ZINC000976536288 668261468 /nfs/dbraw/zinc/26/14/68/668261468.db2.gz NRCQFOCGYTUJQC-HALDLXJZSA-N 1 0 336.436 -1.013 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976536406 668261948 /nfs/dbraw/zinc/26/19/48/668261948.db2.gz PEZTUOMVAOWZAF-CTASWTNQSA-N 1 0 336.436 -1.014 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976536411 668261460 /nfs/dbraw/zinc/26/14/60/668261460.db2.gz PEZTUOMVAOWZAF-KNCOVGOOSA-N 1 0 336.436 -1.014 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCNC4=O)C[C@H]32)C1 ZINC000976536701 668261515 /nfs/dbraw/zinc/26/15/15/668261515.db2.gz NQWYVHRDTIKTFU-CXTNEJHOSA-N 1 0 349.435 -1.074 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCNC4=O)C[C@H]32)C1 ZINC000976536703 668261640 /nfs/dbraw/zinc/26/16/40/668261640.db2.gz NQWYVHRDTIKTFU-RMRHIDDWSA-N 1 0 349.435 -1.074 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CN=NC4=O)C[C@H]32)C1 ZINC000976537608 668260534 /nfs/dbraw/zinc/26/05/34/668260534.db2.gz VLHLTFPWTLZJQI-DCQANWLSSA-N 1 0 334.380 -1.492 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CN=NC4=O)C[C@H]32)C1 ZINC000976537610 668260651 /nfs/dbraw/zinc/26/06/51/668260651.db2.gz VLHLTFPWTLZJQI-MEWQQHAOSA-N 1 0 334.380 -1.492 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@H]32)C1 ZINC000976537613 668260543 /nfs/dbraw/zinc/26/05/43/668260543.db2.gz VNYDTHFGPXLNNG-DCQANWLSSA-N 1 0 329.422 -1.444 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@H]32)C1 ZINC000976537615 668260592 /nfs/dbraw/zinc/26/05/92/668260592.db2.gz VNYDTHFGPXLNNG-MEWQQHAOSA-N 1 0 329.422 -1.444 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976538024 668260551 /nfs/dbraw/zinc/26/05/51/668260551.db2.gz YPXRWOTYURUSBQ-YABSGUDNSA-N 1 0 329.422 -1.300 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000976538046 668260562 /nfs/dbraw/zinc/26/05/62/668260562.db2.gz ZJQLISVVXSJJNY-YABSGUDNSA-N 1 0 334.380 -1.348 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC000976538171 668260508 /nfs/dbraw/zinc/26/05/08/668260508.db2.gz AKCCTPNAGBCWFT-IMRBUKKESA-N 1 0 341.433 -1.300 20 0 EAADRO CN1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000976538535 668260609 /nfs/dbraw/zinc/26/06/09/668260609.db2.gz YGQSDDQBMTVUOK-MRLBHPIUSA-N 1 0 336.436 -1.158 20 0 EAADRO CN1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000976538541 668260659 /nfs/dbraw/zinc/26/06/59/668260659.db2.gz YGQSDDQBMTVUOK-QMIVOQANSA-N 1 0 336.436 -1.158 20 0 EAADRO CN1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000976538552 668260330 /nfs/dbraw/zinc/26/03/30/668260330.db2.gz YGQSDDQBMTVUOK-SBJFKYEJSA-N 1 0 336.436 -1.158 20 0 EAADRO CN1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000976538563 668260470 /nfs/dbraw/zinc/26/04/70/668260470.db2.gz YGQSDDQBMTVUOK-VQJWOFKYSA-N 1 0 336.436 -1.158 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976539027 668260361 /nfs/dbraw/zinc/26/03/61/668260361.db2.gz ZYSAPWWHKOVORP-MRLBHPIUSA-N 1 0 336.436 -1.158 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976539032 668260696 /nfs/dbraw/zinc/26/06/96/668260696.db2.gz ZYSAPWWHKOVORP-QMIVOQANSA-N 1 0 336.436 -1.158 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976539036 668260599 /nfs/dbraw/zinc/26/05/99/668260599.db2.gz ZYSAPWWHKOVORP-SBJFKYEJSA-N 1 0 336.436 -1.158 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976539041 668260494 /nfs/dbraw/zinc/26/04/94/668260494.db2.gz ZYSAPWWHKOVORP-VQJWOFKYSA-N 1 0 336.436 -1.158 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cnnn4)C[C@H]32)C1 ZINC000976539134 668260248 /nfs/dbraw/zinc/26/02/48/668260248.db2.gz IYTDDOIXOIHCEB-CIQGVGRVSA-N 1 0 333.396 -1.412 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cnnn4)C[C@H]32)C1 ZINC000976539136 668260443 /nfs/dbraw/zinc/26/04/43/668260443.db2.gz IYTDDOIXOIHCEB-NMKXLXIOSA-N 1 0 333.396 -1.412 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 ZINC000976540939 668265367 /nfs/dbraw/zinc/26/53/67/668265367.db2.gz MQIJIWLQQJRFBV-JYAVWHMHSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC000976540974 668265374 /nfs/dbraw/zinc/26/53/74/668265374.db2.gz MUPLARDOBWFEKI-LAQFHYBYSA-N 1 0 349.435 -1.913 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC(=O)NC4=O)C[C@H]32)C1 ZINC000976541684 668265233 /nfs/dbraw/zinc/26/52/33/668265233.db2.gz SOQCODYOVDUKDH-KZWBYHQPSA-N 1 0 349.391 -1.937 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC(=O)NC4=O)C[C@H]32)C1 ZINC000976541691 668265449 /nfs/dbraw/zinc/26/54/49/668265449.db2.gz SOQCODYOVDUKDH-PUHVVEEASA-N 1 0 349.391 -1.937 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)NC1=O ZINC000976542126 668265244 /nfs/dbraw/zinc/26/52/44/668265244.db2.gz SRKBNUOGFWGNMS-CZXHOFHRSA-N 1 0 335.408 -1.321 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)NC1=O ZINC000976542135 668265223 /nfs/dbraw/zinc/26/52/23/668265223.db2.gz SRKBNUOGFWGNMS-KZVDOYCCSA-N 1 0 335.408 -1.321 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)C1 ZINC000976542136 668265173 /nfs/dbraw/zinc/26/51/73/668265173.db2.gz UVQNUTPVFHBUAP-FTYKPCCVSA-N 1 0 341.433 -1.444 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)C1 ZINC000976542140 668265387 /nfs/dbraw/zinc/26/53/87/668265387.db2.gz UVQNUTPVFHBUAP-XEZLXBQYSA-N 1 0 341.433 -1.444 20 0 EAADRO 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NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978969964 668453987 /nfs/dbraw/zinc/45/39/87/668453987.db2.gz OJNIPTDIMWNGEL-FIQHERPVSA-N 1 0 334.380 -1.368 20 0 EAADRO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978969973 668454176 /nfs/dbraw/zinc/45/41/76/668454176.db2.gz OJNIPTDIMWNGEL-KKOKHZNYSA-N 1 0 334.380 -1.368 20 0 EAADRO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC000978970474 668454335 /nfs/dbraw/zinc/45/43/35/668454335.db2.gz OLOJFIQECVXBIA-OWUUHHOZSA-N 1 0 345.363 -1.929 20 0 EAADRO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978972379 668454110 /nfs/dbraw/zinc/45/41/10/668454110.db2.gz RNWJSAZCGPSXQF-LPWJVIDDSA-N 1 0 348.407 -1.107 20 0 EAADRO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978972381 668454143 /nfs/dbraw/zinc/45/41/43/668454143.db2.gz RNWJSAZCGPSXQF-ZDEQEGDKSA-N 1 0 348.407 -1.107 20 0 EAADRO 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O=C(NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000979021120 668455832 /nfs/dbraw/zinc/45/58/32/668455832.db2.gz SMQHOKBQJYCMTM-RVMXOQNASA-N 1 0 335.408 -1.416 20 0 EAADRO Cc1ccnc2nc(C(=O)NC[C@@H]3[C@H]4C[N@@H+](CC(N)=O)C[C@H]43)nn21 ZINC000979025300 668455657 /nfs/dbraw/zinc/45/56/57/668455657.db2.gz GNNYEAYBTYHVMK-RTCCRHLQSA-N 1 0 329.364 -1.174 20 0 EAADRO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)ccc1=O ZINC000979033133 668456702 /nfs/dbraw/zinc/45/67/02/668456702.db2.gz AKTCVODYSAQOBV-FMSGJZPZSA-N 1 0 345.403 -1.034 20 0 EAADRO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)ccc1=O ZINC000979033148 668456775 /nfs/dbraw/zinc/45/67/75/668456775.db2.gz AKTCVODYSAQOBV-NRWUCQMLSA-N 1 0 345.403 -1.034 20 0 EAADRO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)ccc1=O ZINC000979041305 668456526 /nfs/dbraw/zinc/45/65/26/668456526.db2.gz DBBRGEAPKIOKMH-XYYAHUGASA-N 1 0 345.403 -1.080 20 0 EAADRO 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ZINC000979188695 668467313 /nfs/dbraw/zinc/46/73/13/668467313.db2.gz GZBBGUDORUOEBX-DGCLKSJQSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979188697 668467113 /nfs/dbraw/zinc/46/71/13/668467113.db2.gz GZBBGUDORUOEBX-WCQYABFASA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979188699 668467332 /nfs/dbraw/zinc/46/73/32/668467332.db2.gz GZBBGUDORUOEBX-YPMHNXCESA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979190725 668467144 /nfs/dbraw/zinc/46/71/44/668467144.db2.gz JHGOKWJURNJTKH-AAEUAGOBSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979190726 668467265 /nfs/dbraw/zinc/46/72/65/668467265.db2.gz JHGOKWJURNJTKH-DGCLKSJQSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979190727 668467368 /nfs/dbraw/zinc/46/73/68/668467368.db2.gz JHGOKWJURNJTKH-WCQYABFASA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979190730 668467346 /nfs/dbraw/zinc/46/73/46/668467346.db2.gz JHGOKWJURNJTKH-YPMHNXCESA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC000979191831 668467609 /nfs/dbraw/zinc/46/76/09/668467609.db2.gz ZIFIKNRFXXHSHV-CMPLNLGQSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC000979191836 668467750 /nfs/dbraw/zinc/46/77/50/668467750.db2.gz ZIFIKNRFXXHSHV-JQWIXIFHSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC000979191839 668467735 /nfs/dbraw/zinc/46/77/35/668467735.db2.gz ZIFIKNRFXXHSHV-PWSUYJOCSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC000979191843 668467833 /nfs/dbraw/zinc/46/78/33/668467833.db2.gz ZIFIKNRFXXHSHV-ZYHUDNBSSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979192989 668467682 /nfs/dbraw/zinc/46/76/82/668467682.db2.gz LYIZTFKZPFSBMF-CMPLNLGQSA-N 1 0 335.372 -1.793 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979192991 668467881 /nfs/dbraw/zinc/46/78/81/668467881.db2.gz LYIZTFKZPFSBMF-JQWIXIFHSA-N 1 0 335.372 -1.793 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979192992 668467742 /nfs/dbraw/zinc/46/77/42/668467742.db2.gz LYIZTFKZPFSBMF-PWSUYJOCSA-N 1 0 335.372 -1.793 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979192993 668467892 /nfs/dbraw/zinc/46/78/92/668467892.db2.gz LYIZTFKZPFSBMF-ZYHUDNBSSA-N 1 0 335.372 -1.793 20 0 EAADRO C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193499 668467680 /nfs/dbraw/zinc/46/76/80/668467680.db2.gz MYPJGGOUHNOTDQ-NEPJUHHUSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1nccn1C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193505 668467874 /nfs/dbraw/zinc/46/78/74/668467874.db2.gz MYPJGGOUHNOTDQ-NWDGAFQWSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193508 668467773 /nfs/dbraw/zinc/46/77/73/668467773.db2.gz MYPJGGOUHNOTDQ-RYUDHWBXSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193510 668467655 /nfs/dbraw/zinc/46/76/55/668467655.db2.gz MYPJGGOUHNOTDQ-VXGBXAGGSA-N 1 0 334.384 -1.188 20 0 EAADRO CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193650 668467844 /nfs/dbraw/zinc/46/78/44/668467844.db2.gz NQVIVBDCFGXEPN-AAEUAGOBSA-N 1 0 349.399 -1.310 20 0 EAADRO CCn1nncc1C[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193653 668467778 /nfs/dbraw/zinc/46/77/78/668467778.db2.gz NQVIVBDCFGXEPN-DGCLKSJQSA-N 1 0 349.399 -1.310 20 0 EAADRO CCn1nncc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193656 668467859 /nfs/dbraw/zinc/46/78/59/668467859.db2.gz NQVIVBDCFGXEPN-WCQYABFASA-N 1 0 349.399 -1.310 20 0 EAADRO CCn1nncc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979193658 668467865 /nfs/dbraw/zinc/46/78/65/668467865.db2.gz NQVIVBDCFGXEPN-YPMHNXCESA-N 1 0 349.399 -1.310 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979194131 668467795 /nfs/dbraw/zinc/46/77/95/668467795.db2.gz OIXNOKCKFLOYIQ-AAEUAGOBSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979194134 668467629 /nfs/dbraw/zinc/46/76/29/668467629.db2.gz OIXNOKCKFLOYIQ-DGCLKSJQSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979194135 668467823 /nfs/dbraw/zinc/46/78/23/668467823.db2.gz OIXNOKCKFLOYIQ-WCQYABFASA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979194137 668467721 /nfs/dbraw/zinc/46/77/21/668467721.db2.gz OIXNOKCKFLOYIQ-YPMHNXCESA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979195031 668467626 /nfs/dbraw/zinc/46/76/26/668467626.db2.gz QMEHXAYXKMMHOL-AAEUAGOBSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979195035 668467621 /nfs/dbraw/zinc/46/76/21/668467621.db2.gz QMEHXAYXKMMHOL-DGCLKSJQSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979195041 668467761 /nfs/dbraw/zinc/46/77/61/668467761.db2.gz QMEHXAYXKMMHOL-WCQYABFASA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979195046 668467677 /nfs/dbraw/zinc/46/76/77/668467677.db2.gz QMEHXAYXKMMHOL-YPMHNXCESA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1cnns1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979197001 668466802 /nfs/dbraw/zinc/46/68/02/668466802.db2.gz UZNGLLBHQVMMOE-GXSJLCMTSA-N 1 0 338.397 -1.070 20 0 EAADRO C[C@@H]([NH2+]Cc1cnns1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979197004 668466703 /nfs/dbraw/zinc/46/67/03/668466703.db2.gz UZNGLLBHQVMMOE-KOLCDFICSA-N 1 0 338.397 -1.070 20 0 EAADRO C[C@@H]([NH2+]Cc1cnns1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979197005 668466719 /nfs/dbraw/zinc/46/67/19/668466719.db2.gz UZNGLLBHQVMMOE-MWLCHTKSSA-N 1 0 338.397 -1.070 20 0 EAADRO C[C@H]([NH2+]Cc1cnns1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979197007 668466570 /nfs/dbraw/zinc/46/65/70/668466570.db2.gz UZNGLLBHQVMMOE-ONGXEEELSA-N 1 0 338.397 -1.070 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC000979224263 668469135 /nfs/dbraw/zinc/46/91/35/668469135.db2.gz ZICOMCYCUJZSIA-NEPJUHHUSA-N 1 0 349.395 -1.289 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC000979224271 668469147 /nfs/dbraw/zinc/46/91/47/668469147.db2.gz ZICOMCYCUJZSIA-NWDGAFQWSA-N 1 0 349.395 -1.289 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC000979224277 668469262 /nfs/dbraw/zinc/46/92/62/668469262.db2.gz ZICOMCYCUJZSIA-RYUDHWBXSA-N 1 0 349.395 -1.289 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC000979224283 668469153 /nfs/dbraw/zinc/46/91/53/668469153.db2.gz ZICOMCYCUJZSIA-VXGBXAGGSA-N 1 0 349.395 -1.289 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC000979225059 668469792 /nfs/dbraw/zinc/46/97/92/668469792.db2.gz FOLCGWJQMLKWFT-CMPLNLGQSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC000979225063 668469568 /nfs/dbraw/zinc/46/95/68/668469568.db2.gz FOLCGWJQMLKWFT-JQWIXIFHSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC000979225066 668469816 /nfs/dbraw/zinc/46/98/16/668469816.db2.gz FOLCGWJQMLKWFT-PWSUYJOCSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC000979225071 668469843 /nfs/dbraw/zinc/46/98/43/668469843.db2.gz FOLCGWJQMLKWFT-ZYHUDNBSSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC000979226453 668469619 /nfs/dbraw/zinc/46/96/19/668469619.db2.gz GRFMCTXRUPEJSX-CMPLNLGQSA-N 1 0 345.425 -1.435 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC000979226468 668469731 /nfs/dbraw/zinc/46/97/31/668469731.db2.gz GRFMCTXRUPEJSX-JQWIXIFHSA-N 1 0 345.425 -1.435 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC000979226472 668469929 /nfs/dbraw/zinc/46/99/29/668469929.db2.gz GRFMCTXRUPEJSX-PWSUYJOCSA-N 1 0 345.425 -1.435 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC000979226476 668469703 /nfs/dbraw/zinc/46/97/03/668469703.db2.gz GRFMCTXRUPEJSX-ZYHUDNBSSA-N 1 0 345.425 -1.435 20 0 EAADRO O=C(NC[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CNC(=O)N1 ZINC000979227628 668470202 /nfs/dbraw/zinc/47/02/02/668470202.db2.gz HCMAEKZNYURJKU-GRYCIOLGSA-N 1 0 335.408 -1.225 20 0 EAADRO O=C(NC[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CNC(=O)N1 ZINC000979227640 668470412 /nfs/dbraw/zinc/47/04/12/668470412.db2.gz HCMAEKZNYURJKU-TUAOUCFPSA-N 1 0 335.408 -1.225 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979237868 668470290 /nfs/dbraw/zinc/47/02/90/668470290.db2.gz OKNXNFTZNGBSEE-BDAKNGLRSA-N 1 0 326.357 -2.311 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979237875 668470264 /nfs/dbraw/zinc/47/02/64/668470264.db2.gz OKNXNFTZNGBSEE-DTWKUNHWSA-N 1 0 326.357 -2.311 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979237877 668470112 /nfs/dbraw/zinc/47/01/12/668470112.db2.gz OKNXNFTZNGBSEE-IUCAKERBSA-N 1 0 326.357 -2.311 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979237879 668470387 /nfs/dbraw/zinc/47/03/87/668470387.db2.gz OKNXNFTZNGBSEE-RKDXNWHRSA-N 1 0 326.357 -2.311 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979238129 668470239 /nfs/dbraw/zinc/47/02/39/668470239.db2.gz UANPHJFZUPMWJU-GXSJLCMTSA-N 1 0 335.368 -1.149 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979238130 668470430 /nfs/dbraw/zinc/47/04/30/668470430.db2.gz UANPHJFZUPMWJU-KOLCDFICSA-N 1 0 335.368 -1.149 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979238131 668470092 /nfs/dbraw/zinc/47/00/92/668470092.db2.gz UANPHJFZUPMWJU-MWLCHTKSSA-N 1 0 335.368 -1.149 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979238132 668470343 /nfs/dbraw/zinc/47/03/43/668470343.db2.gz UANPHJFZUPMWJU-ONGXEEELSA-N 1 0 335.368 -1.149 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC000979247700 668472193 /nfs/dbraw/zinc/47/21/93/668472193.db2.gz ATEGQVRHTWFVGZ-CMPLNLGQSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC000979247702 668471888 /nfs/dbraw/zinc/47/18/88/668471888.db2.gz ATEGQVRHTWFVGZ-JQWIXIFHSA-N 1 0 349.395 -1.139 20 0 EAADRO 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YKMLOQVEBQLYPC-RVMXOQNASA-N 1 0 335.412 -1.118 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000979318792 668477410 /nfs/dbraw/zinc/47/74/10/668477410.db2.gz YKMLOQVEBQLYPC-WUHRBBMRSA-N 1 0 335.412 -1.118 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979318893 668477460 /nfs/dbraw/zinc/47/74/60/668477460.db2.gz RTIBGAPWNUTYHP-NXEZZACHSA-N 1 0 335.368 -1.149 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979318899 668477439 /nfs/dbraw/zinc/47/74/39/668477439.db2.gz RTIBGAPWNUTYHP-UWVGGRQHSA-N 1 0 335.368 -1.149 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979318908 668477476 /nfs/dbraw/zinc/47/74/76/668477476.db2.gz RTIBGAPWNUTYHP-VHSXEESVSA-N 1 0 335.368 -1.149 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979318915 668477264 /nfs/dbraw/zinc/47/72/64/668477264.db2.gz RTIBGAPWNUTYHP-ZJUUUORDSA-N 1 0 335.368 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C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC000979324182 668476694 /nfs/dbraw/zinc/47/66/94/668476694.db2.gz RCNMVBORNKTOJD-DGCLKSJQSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC000979324185 668476873 /nfs/dbraw/zinc/47/68/73/668476873.db2.gz RCNMVBORNKTOJD-WCQYABFASA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC000979324188 668476793 /nfs/dbraw/zinc/47/67/93/668476793.db2.gz RCNMVBORNKTOJD-YPMHNXCESA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC000979338935 668477771 /nfs/dbraw/zinc/47/77/71/668477771.db2.gz IGZXDWVCSXJSRX-CMPLNLGQSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC000979338941 668477812 /nfs/dbraw/zinc/47/78/12/668477812.db2.gz IGZXDWVCSXJSRX-JQWIXIFHSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC000979338944 668477898 /nfs/dbraw/zinc/47/78/98/668477898.db2.gz IGZXDWVCSXJSRX-PWSUYJOCSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC000979338950 668477954 /nfs/dbraw/zinc/47/79/54/668477954.db2.gz IGZXDWVCSXJSRX-ZYHUDNBSSA-N 1 0 349.395 -1.139 20 0 EAADRO CCn1nncc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979351043 668478459 /nfs/dbraw/zinc/47/84/59/668478459.db2.gz ANRWIEHKLGRHBM-CMPLNLGQSA-N 1 0 349.399 -1.159 20 0 EAADRO CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979351051 668478497 /nfs/dbraw/zinc/47/84/97/668478497.db2.gz ANRWIEHKLGRHBM-JQWIXIFHSA-N 1 0 349.399 -1.159 20 0 EAADRO CCn1nncc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979351056 668478546 /nfs/dbraw/zinc/47/85/46/668478546.db2.gz ANRWIEHKLGRHBM-PWSUYJOCSA-N 1 0 349.399 -1.159 20 0 EAADRO CCn1nncc1C[NH2+][C@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979351062 668478446 /nfs/dbraw/zinc/47/84/46/668478446.db2.gz ANRWIEHKLGRHBM-ZYHUDNBSSA-N 1 0 349.399 -1.159 20 0 EAADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354121 668479145 /nfs/dbraw/zinc/47/91/45/668479145.db2.gz DHYJARUVDONRGE-CMPLNLGQSA-N 1 0 347.437 -1.498 20 0 EAADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354123 668479031 /nfs/dbraw/zinc/47/90/31/668479031.db2.gz DHYJARUVDONRGE-JQWIXIFHSA-N 1 0 347.437 -1.498 20 0 EAADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354125 668479216 /nfs/dbraw/zinc/47/92/16/668479216.db2.gz DHYJARUVDONRGE-PWSUYJOCSA-N 1 0 347.437 -1.498 20 0 EAADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354126 668479027 /nfs/dbraw/zinc/47/90/27/668479027.db2.gz DHYJARUVDONRGE-ZYHUDNBSSA-N 1 0 347.437 -1.498 20 0 EAADRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356725 668478904 /nfs/dbraw/zinc/47/89/04/668478904.db2.gz JEQDQCSDXHBCAQ-GWCFXTLKSA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356735 668479181 /nfs/dbraw/zinc/47/91/81/668479181.db2.gz JEQDQCSDXHBCAQ-GXFFZTMASA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356737 668478983 /nfs/dbraw/zinc/47/89/83/668478983.db2.gz JEQDQCSDXHBCAQ-MFKMUULPSA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356740 668479157 /nfs/dbraw/zinc/47/91/57/668479157.db2.gz JEQDQCSDXHBCAQ-ZWNOBZJWSA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357612 668479186 /nfs/dbraw/zinc/47/91/86/668479186.db2.gz KXLRTQHIEVZFBI-GXSJLCMTSA-N 1 0 348.363 -1.787 20 0 EAADRO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357617 668479077 /nfs/dbraw/zinc/47/90/77/668479077.db2.gz KXLRTQHIEVZFBI-KOLCDFICSA-N 1 0 348.363 -1.787 20 0 EAADRO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357620 668479152 /nfs/dbraw/zinc/47/91/52/668479152.db2.gz KXLRTQHIEVZFBI-MWLCHTKSSA-N 1 0 348.363 -1.787 20 0 EAADRO C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357624 668478968 /nfs/dbraw/zinc/47/89/68/668478968.db2.gz KXLRTQHIEVZFBI-ONGXEEELSA-N 1 0 348.363 -1.787 20 0 EAADRO COc1ncc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)c(C)n1 ZINC000979359518 668479665 /nfs/dbraw/zinc/47/96/65/668479665.db2.gz NBOHLRIVCDUFQI-CMPLNLGQSA-N 1 0 337.380 -1.016 20 0 EAADRO COc1ncc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)c(C)n1 ZINC000979359520 668479486 /nfs/dbraw/zinc/47/94/86/668479486.db2.gz NBOHLRIVCDUFQI-JQWIXIFHSA-N 1 0 337.380 -1.016 20 0 EAADRO COc1ncc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)c(C)n1 ZINC000979359524 668479561 /nfs/dbraw/zinc/47/95/61/668479561.db2.gz NBOHLRIVCDUFQI-PWSUYJOCSA-N 1 0 337.380 -1.016 20 0 EAADRO COc1ncc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)c(C)n1 ZINC000979359528 668479746 /nfs/dbraw/zinc/47/97/46/668479746.db2.gz NBOHLRIVCDUFQI-ZYHUDNBSSA-N 1 0 337.380 -1.016 20 0 EAADRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361712 668478530 /nfs/dbraw/zinc/47/85/30/668478530.db2.gz RHSRNZWYPWSTNF-GWCFXTLKSA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361713 668478543 /nfs/dbraw/zinc/47/85/43/668478543.db2.gz RHSRNZWYPWSTNF-GXFFZTMASA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361715 668478436 /nfs/dbraw/zinc/47/84/36/668478436.db2.gz RHSRNZWYPWSTNF-MFKMUULPSA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361716 668478390 /nfs/dbraw/zinc/47/83/90/668478390.db2.gz RHSRNZWYPWSTNF-ZWNOBZJWSA-N 1 0 334.376 -1.024 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC000979362699 668478432 /nfs/dbraw/zinc/47/84/32/668478432.db2.gz BNCHIQRJPXGPHW-CMPLNLGQSA-N 1 0 336.396 -1.214 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC000979362702 668478594 /nfs/dbraw/zinc/47/85/94/668478594.db2.gz BNCHIQRJPXGPHW-JQWIXIFHSA-N 1 0 336.396 -1.214 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC000979362704 668478373 /nfs/dbraw/zinc/47/83/73/668478373.db2.gz BNCHIQRJPXGPHW-PWSUYJOCSA-N 1 0 336.396 -1.214 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC000979362706 668478559 /nfs/dbraw/zinc/47/85/59/668478559.db2.gz BNCHIQRJPXGPHW-ZYHUDNBSSA-N 1 0 336.396 -1.214 20 0 EAADRO COc1coc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)cc1=O ZINC000979363964 668480559 /nfs/dbraw/zinc/48/05/59/668480559.db2.gz WXPVTDZJODQBSO-BXKDBHETSA-N 1 0 339.348 -1.161 20 0 EAADRO COc1coc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1=O ZINC000979363969 668480755 /nfs/dbraw/zinc/48/07/55/668480755.db2.gz WXPVTDZJODQBSO-CABZTGNLSA-N 1 0 339.348 -1.161 20 0 EAADRO COc1coc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)cc1=O ZINC000979363973 668480857 /nfs/dbraw/zinc/48/08/57/668480857.db2.gz WXPVTDZJODQBSO-JOYOIKCWSA-N 1 0 339.348 -1.161 20 0 EAADRO COc1coc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1=O ZINC000979363976 668480843 /nfs/dbraw/zinc/48/08/43/668480843.db2.gz WXPVTDZJODQBSO-SKDRFNHKSA-N 1 0 339.348 -1.161 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373115 668479797 /nfs/dbraw/zinc/47/97/97/668479797.db2.gz HPGYICGHJULJBH-CMPLNLGQSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373116 668479510 /nfs/dbraw/zinc/47/95/10/668479510.db2.gz HPGYICGHJULJBH-JQWIXIFHSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373117 668479707 /nfs/dbraw/zinc/47/97/07/668479707.db2.gz HPGYICGHJULJBH-PWSUYJOCSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373118 668479690 /nfs/dbraw/zinc/47/96/90/668479690.db2.gz HPGYICGHJULJBH-ZYHUDNBSSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373119 668479477 /nfs/dbraw/zinc/47/94/77/668479477.db2.gz HUNFUZQOEGUVTI-CMPLNLGQSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373120 668479632 /nfs/dbraw/zinc/47/96/32/668479632.db2.gz HUNFUZQOEGUVTI-JQWIXIFHSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373121 668479742 /nfs/dbraw/zinc/47/97/42/668479742.db2.gz HUNFUZQOEGUVTI-PWSUYJOCSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373122 668479772 /nfs/dbraw/zinc/47/97/72/668479772.db2.gz HUNFUZQOEGUVTI-ZYHUDNBSSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979374039 668480278 /nfs/dbraw/zinc/48/02/78/668480278.db2.gz JJKIIDITIYCKEB-CMPLNLGQSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979374042 668480291 /nfs/dbraw/zinc/48/02/91/668480291.db2.gz JJKIIDITIYCKEB-JQWIXIFHSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979374048 668480310 /nfs/dbraw/zinc/48/03/10/668480310.db2.gz JJKIIDITIYCKEB-PWSUYJOCSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979374051 668480024 /nfs/dbraw/zinc/48/00/24/668480024.db2.gz JJKIIDITIYCKEB-ZYHUDNBSSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979375815 668480173 /nfs/dbraw/zinc/48/01/73/668480173.db2.gz MCTKDKCRAPSASI-CMPLNLGQSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979375822 668480320 /nfs/dbraw/zinc/48/03/20/668480320.db2.gz MCTKDKCRAPSASI-JQWIXIFHSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979375829 668480123 /nfs/dbraw/zinc/48/01/23/668480123.db2.gz MCTKDKCRAPSASI-PWSUYJOCSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979375836 668480183 /nfs/dbraw/zinc/48/01/83/668480183.db2.gz MCTKDKCRAPSASI-ZYHUDNBSSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979377096 668480285 /nfs/dbraw/zinc/48/02/85/668480285.db2.gz NTYGXWDKIVIOLF-GXSJLCMTSA-N 1 0 335.372 -1.642 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979377106 668480188 /nfs/dbraw/zinc/48/01/88/668480188.db2.gz NTYGXWDKIVIOLF-KOLCDFICSA-N 1 0 335.372 -1.642 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979377117 668480074 /nfs/dbraw/zinc/48/00/74/668480074.db2.gz NTYGXWDKIVIOLF-MWLCHTKSSA-N 1 0 335.372 -1.642 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979377127 668480338 /nfs/dbraw/zinc/48/03/38/668480338.db2.gz NTYGXWDKIVIOLF-ONGXEEELSA-N 1 0 335.372 -1.642 20 0 EAADRO C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979381802 668481597 /nfs/dbraw/zinc/48/15/97/668481597.db2.gz WWWMYYNMEZKGBB-GHMZBOCLSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979381809 668481236 /nfs/dbraw/zinc/48/12/36/668481236.db2.gz WWWMYYNMEZKGBB-MNOVXSKESA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979381816 668481455 /nfs/dbraw/zinc/48/14/55/668481455.db2.gz WWWMYYNMEZKGBB-QWRGUYRKSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1nccn1C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979381821 668481481 /nfs/dbraw/zinc/48/14/81/668481481.db2.gz WWWMYYNMEZKGBB-WDEREUQCSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC000979386464 668481569 /nfs/dbraw/zinc/48/15/69/668481569.db2.gz UTMYQVSHAIAVIE-GWCFXTLKSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC000979386466 668481495 /nfs/dbraw/zinc/48/14/95/668481495.db2.gz UTMYQVSHAIAVIE-GXFFZTMASA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC000979386467 668481159 /nfs/dbraw/zinc/48/11/59/668481159.db2.gz UTMYQVSHAIAVIE-MFKMUULPSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC000979386469 668481499 /nfs/dbraw/zinc/48/14/99/668481499.db2.gz UTMYQVSHAIAVIE-ZWNOBZJWSA-N 1 0 347.379 -1.082 20 0 EAADRO CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCO1 ZINC000979389249 668480668 /nfs/dbraw/zinc/48/06/68/668480668.db2.gz CCRYEKBIOTUAKW-PSASIEDQSA-N 1 0 331.398 -1.104 20 0 EAADRO CC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCO1 ZINC000979389256 668480685 /nfs/dbraw/zinc/48/06/85/668480685.db2.gz CCRYEKBIOTUAKW-SCZZXKLOSA-N 1 0 331.398 -1.104 20 0 EAADRO CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCO1 ZINC000979389263 668480767 /nfs/dbraw/zinc/48/07/67/668480767.db2.gz CCRYEKBIOTUAKW-WCBMZHEXSA-N 1 0 331.398 -1.104 20 0 EAADRO CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCO1 ZINC000979389271 668480807 /nfs/dbraw/zinc/48/08/07/668480807.db2.gz CCRYEKBIOTUAKW-WPRPVWTQSA-N 1 0 331.398 -1.104 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC000979391220 668481363 /nfs/dbraw/zinc/48/13/63/668481363.db2.gz OPNOVNFIGIOUHQ-CMPLNLGQSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC000979391224 668481215 /nfs/dbraw/zinc/48/12/15/668481215.db2.gz OPNOVNFIGIOUHQ-JQWIXIFHSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC000979391227 668481410 /nfs/dbraw/zinc/48/14/10/668481410.db2.gz OPNOVNFIGIOUHQ-PWSUYJOCSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC000979391231 668481478 /nfs/dbraw/zinc/48/14/78/668481478.db2.gz OPNOVNFIGIOUHQ-ZYHUDNBSSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccncn2)CCO1 ZINC000979391714 668481508 /nfs/dbraw/zinc/48/15/08/668481508.db2.gz CCBGDGRVHUPUPN-CMPLNLGQSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccncn2)CCO1 ZINC000979391716 668481437 /nfs/dbraw/zinc/48/14/37/668481437.db2.gz CCBGDGRVHUPUPN-JQWIXIFHSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccncn2)CCO1 ZINC000979391719 668481141 /nfs/dbraw/zinc/48/11/41/668481141.db2.gz CCBGDGRVHUPUPN-PWSUYJOCSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccncn2)CCO1 ZINC000979391722 668481532 /nfs/dbraw/zinc/48/15/32/668481532.db2.gz CCBGDGRVHUPUPN-ZYHUDNBSSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979402189 668482114 /nfs/dbraw/zinc/48/21/14/668482114.db2.gz YPSJDHNZRBHQAW-PSASIEDQSA-N 1 0 337.340 -1.489 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979402196 668482249 /nfs/dbraw/zinc/48/22/49/668482249.db2.gz YPSJDHNZRBHQAW-SCZZXKLOSA-N 1 0 337.340 -1.489 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979402200 668482067 /nfs/dbraw/zinc/48/20/67/668482067.db2.gz YPSJDHNZRBHQAW-WCBMZHEXSA-N 1 0 337.340 -1.489 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979402204 668482864 /nfs/dbraw/zinc/48/28/64/668482864.db2.gz YPSJDHNZRBHQAW-WPRPVWTQSA-N 1 0 337.340 -1.489 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC000979406958 668482186 /nfs/dbraw/zinc/48/21/86/668482186.db2.gz HNTCREVARUSKET-GWCFXTLKSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC000979406960 668481927 /nfs/dbraw/zinc/48/19/27/668481927.db2.gz HNTCREVARUSKET-GXFFZTMASA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC000979406962 668482137 /nfs/dbraw/zinc/48/21/37/668482137.db2.gz HNTCREVARUSKET-MFKMUULPSA-N 1 0 334.384 -1.037 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC000979406963 668481829 /nfs/dbraw/zinc/48/18/29/668481829.db2.gz HNTCREVARUSKET-ZWNOBZJWSA-N 1 0 334.384 -1.037 20 0 EAADRO CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCO1 ZINC000979408844 668482136 /nfs/dbraw/zinc/48/21/36/668482136.db2.gz QDVGENQVRVWTDC-NXEZZACHSA-N 1 0 326.353 -1.368 20 0 EAADRO CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCO1 ZINC000979408854 668481834 /nfs/dbraw/zinc/48/18/34/668481834.db2.gz QDVGENQVRVWTDC-UWVGGRQHSA-N 1 0 326.353 -1.368 20 0 EAADRO CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCO1 ZINC000979408863 668482230 /nfs/dbraw/zinc/48/22/30/668482230.db2.gz QDVGENQVRVWTDC-VHSXEESVSA-N 1 0 326.353 -1.368 20 0 EAADRO CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCO1 ZINC000979408872 668482211 /nfs/dbraw/zinc/48/22/11/668482211.db2.gz QDVGENQVRVWTDC-ZJUUUORDSA-N 1 0 326.353 -1.368 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC000979409498 668482205 /nfs/dbraw/zinc/48/22/05/668482205.db2.gz KPFGKXFVEOQPNY-GHMZBOCLSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC000979409499 668482254 /nfs/dbraw/zinc/48/22/54/668482254.db2.gz KPFGKXFVEOQPNY-MNOVXSKESA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC000979409500 668482017 /nfs/dbraw/zinc/48/20/17/668482017.db2.gz KPFGKXFVEOQPNY-QWRGUYRKSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC000979409501 668481809 /nfs/dbraw/zinc/48/18/09/668481809.db2.gz KPFGKXFVEOQPNY-WDEREUQCSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420605 668482419 /nfs/dbraw/zinc/48/24/19/668482419.db2.gz YBQVSXDHHYDAHZ-CMPLNLGQSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420606 668482776 /nfs/dbraw/zinc/48/27/76/668482776.db2.gz YBQVSXDHHYDAHZ-JQWIXIFHSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420608 668482800 /nfs/dbraw/zinc/48/28/00/668482800.db2.gz YBQVSXDHHYDAHZ-PWSUYJOCSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420610 668482750 /nfs/dbraw/zinc/48/27/50/668482750.db2.gz YBQVSXDHHYDAHZ-ZYHUDNBSSA-N 1 0 347.379 -1.082 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC000979423089 668482697 /nfs/dbraw/zinc/48/26/97/668482697.db2.gz CWJMLJSUDDRDQB-AAEUAGOBSA-N 1 0 349.399 -1.403 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC000979423094 668482367 /nfs/dbraw/zinc/48/23/67/668482367.db2.gz CWJMLJSUDDRDQB-DGCLKSJQSA-N 1 0 349.399 -1.403 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC000979423107 668482486 /nfs/dbraw/zinc/48/24/86/668482486.db2.gz CWJMLJSUDDRDQB-WCQYABFASA-N 1 0 349.399 -1.403 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC000979423112 668482815 /nfs/dbraw/zinc/48/28/15/668482815.db2.gz CWJMLJSUDDRDQB-YPMHNXCESA-N 1 0 349.399 -1.403 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435688 668483367 /nfs/dbraw/zinc/48/33/67/668483367.db2.gz RRTDRGAPFHALMF-GHMZBOCLSA-N 1 0 349.395 -1.220 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435691 668483231 /nfs/dbraw/zinc/48/32/31/668483231.db2.gz RRTDRGAPFHALMF-MNOVXSKESA-N 1 0 349.395 -1.220 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435694 668483282 /nfs/dbraw/zinc/48/32/82/668483282.db2.gz RRTDRGAPFHALMF-QWRGUYRKSA-N 1 0 349.395 -1.220 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435700 668483444 /nfs/dbraw/zinc/48/34/44/668483444.db2.gz RRTDRGAPFHALMF-WDEREUQCSA-N 1 0 349.395 -1.220 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436063 668483060 /nfs/dbraw/zinc/48/30/60/668483060.db2.gz XSBCMKPWEMDIRZ-CMPLNLGQSA-N 1 0 334.384 -1.119 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436065 668483383 /nfs/dbraw/zinc/48/33/83/668483383.db2.gz XSBCMKPWEMDIRZ-JQWIXIFHSA-N 1 0 334.384 -1.119 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436067 668483315 /nfs/dbraw/zinc/48/33/15/668483315.db2.gz XSBCMKPWEMDIRZ-PWSUYJOCSA-N 1 0 334.384 -1.119 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436069 668483134 /nfs/dbraw/zinc/48/31/34/668483134.db2.gz XSBCMKPWEMDIRZ-ZYHUDNBSSA-N 1 0 334.384 -1.119 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC000979442259 668483971 /nfs/dbraw/zinc/48/39/71/668483971.db2.gz ZJMUPDZSCBBPNQ-AAEUAGOBSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC000979442262 668483756 /nfs/dbraw/zinc/48/37/56/668483756.db2.gz ZJMUPDZSCBBPNQ-DGCLKSJQSA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC000979442264 668483812 /nfs/dbraw/zinc/48/38/12/668483812.db2.gz ZJMUPDZSCBBPNQ-WCQYABFASA-N 1 0 334.384 -1.188 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC000979442265 668483764 /nfs/dbraw/zinc/48/37/64/668483764.db2.gz ZJMUPDZSCBBPNQ-YPMHNXCESA-N 1 0 334.384 -1.188 20 0 EAADRO CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCO1 ZINC000979451268 668483845 /nfs/dbraw/zinc/48/38/45/668483845.db2.gz RPEJHOYASYKRSF-CHWSQXEVSA-N 1 0 333.454 -1.058 20 0 EAADRO CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCO1 ZINC000979451271 668483944 /nfs/dbraw/zinc/48/39/44/668483944.db2.gz RPEJHOYASYKRSF-OLZOCXBDSA-N 1 0 333.454 -1.058 20 0 EAADRO CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCO1 ZINC000979451275 668483985 /nfs/dbraw/zinc/48/39/85/668483985.db2.gz RPEJHOYASYKRSF-QWHCGFSZSA-N 1 0 333.454 -1.058 20 0 EAADRO CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCO1 ZINC000979451278 668483941 /nfs/dbraw/zinc/48/39/41/668483941.db2.gz RPEJHOYASYKRSF-STQMWFEESA-N 1 0 333.454 -1.058 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452117 668484523 /nfs/dbraw/zinc/48/45/23/668484523.db2.gz SGAGLTFSLWUEJX-CMPLNLGQSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452120 668484631 /nfs/dbraw/zinc/48/46/31/668484631.db2.gz SGAGLTFSLWUEJX-JQWIXIFHSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452122 668484623 /nfs/dbraw/zinc/48/46/23/668484623.db2.gz SGAGLTFSLWUEJX-PWSUYJOCSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452124 668484549 /nfs/dbraw/zinc/48/45/49/668484549.db2.gz SGAGLTFSLWUEJX-ZYHUDNBSSA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@H]([NH2+]CC1CC1)[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000979453282 668484463 /nfs/dbraw/zinc/48/44/63/668484463.db2.gz FLCVJUOWKCTKIX-GWCFXTLKSA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000979453290 668484348 /nfs/dbraw/zinc/48/43/48/668484348.db2.gz FLCVJUOWKCTKIX-GXFFZTMASA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@@H]([NH2+]CC1CC1)[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000979453298 668484481 /nfs/dbraw/zinc/48/44/81/668484481.db2.gz FLCVJUOWKCTKIX-MFKMUULPSA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000979453308 668484398 /nfs/dbraw/zinc/48/43/98/668484398.db2.gz FLCVJUOWKCTKIX-ZWNOBZJWSA-N 1 0 336.396 -1.008 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC000979512885 668486753 /nfs/dbraw/zinc/48/67/53/668486753.db2.gz JCRBMZQQWKGUIW-AVGNSLFASA-N 1 0 335.412 -1.022 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC000979512888 668486757 /nfs/dbraw/zinc/48/67/57/668486757.db2.gz JCRBMZQQWKGUIW-RWMBFGLXSA-N 1 0 335.412 -1.022 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@@H]2C1 ZINC000979512890 668486682 /nfs/dbraw/zinc/48/66/82/668486682.db2.gz JCRBMZQQWKGUIW-XQQFMLRXSA-N 1 0 335.412 -1.022 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@@H]2C1 ZINC000979512892 668486774 /nfs/dbraw/zinc/48/67/74/668486774.db2.gz JCRBMZQQWKGUIW-YNEHKIRRSA-N 1 0 335.412 -1.022 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC000979619496 668490712 /nfs/dbraw/zinc/49/07/12/668490712.db2.gz QPJQEPVVJRZJFV-QJPTWQEYSA-N 1 0 336.396 -1.054 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC000979619500 668490643 /nfs/dbraw/zinc/49/06/43/668490643.db2.gz QPJQEPVVJRZJFV-SDDRHHMPSA-N 1 0 336.396 -1.054 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC000979619505 668490512 /nfs/dbraw/zinc/49/05/12/668490512.db2.gz QPJQEPVVJRZJFV-SRVKXCTJSA-N 1 0 336.396 -1.054 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC000979619510 668490677 /nfs/dbraw/zinc/49/06/77/668490677.db2.gz QPJQEPVVJRZJFV-TUAOUCFPSA-N 1 0 336.396 -1.054 20 0 EAADRO Cn1nncc1C(=O)NC[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000979696160 668493615 /nfs/dbraw/zinc/49/36/15/668493615.db2.gz UJBSWDPGRLXSAW-GVXVVHGQSA-N 1 0 336.396 -1.230 20 0 EAADRO Cn1nncc1C(=O)NC[C@@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000979696161 668493412 /nfs/dbraw/zinc/49/34/12/668493412.db2.gz UJBSWDPGRLXSAW-NQBHXWOUSA-N 1 0 336.396 -1.230 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@H]2C1 ZINC000979706881 668495158 /nfs/dbraw/zinc/49/51/58/668495158.db2.gz CCVSXGFFKKLNDK-AVGNSLFASA-N 1 0 335.412 -1.022 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@H]2C1 ZINC000979706882 668495064 /nfs/dbraw/zinc/49/50/64/668495064.db2.gz CCVSXGFFKKLNDK-RWMBFGLXSA-N 1 0 335.412 -1.022 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@@H]2C1 ZINC000979706884 668495091 /nfs/dbraw/zinc/49/50/91/668495091.db2.gz CCVSXGFFKKLNDK-XQQFMLRXSA-N 1 0 335.412 -1.022 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@@H]2C1 ZINC000979706888 668495101 /nfs/dbraw/zinc/49/51/01/668495101.db2.gz CCVSXGFFKKLNDK-YNEHKIRRSA-N 1 0 335.412 -1.022 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@@H]3C2)n1 ZINC000979728039 668496980 /nfs/dbraw/zinc/49/69/80/668496980.db2.gz JCJNLZCBQBPGGU-GRYCIOLGSA-N 1 0 336.396 -1.414 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@H]3C2)n1 ZINC000979728041 668497202 /nfs/dbraw/zinc/49/72/02/668497202.db2.gz JCJNLZCBQBPGGU-IJLUTSLNSA-N 1 0 336.396 -1.414 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@H]3C2)n1 ZINC000979728044 668497003 /nfs/dbraw/zinc/49/70/03/668497003.db2.gz JCJNLZCBQBPGGU-QJPTWQEYSA-N 1 0 336.396 -1.414 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@@H]3C2)n1 ZINC000979728045 668496868 /nfs/dbraw/zinc/49/68/68/668496868.db2.gz JCJNLZCBQBPGGU-SDDRHHMPSA-N 1 0 336.396 -1.414 20 0 EAADRO NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 ZINC000979731352 668497175 /nfs/dbraw/zinc/49/71/75/668497175.db2.gz OUXJOZLCIFBGKL-AXFHLTTASA-N 1 0 349.395 -1.921 20 0 EAADRO NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC000979731356 668497034 /nfs/dbraw/zinc/49/70/34/668497034.db2.gz OUXJOZLCIFBGKL-DCAQKATOSA-N 1 0 349.395 -1.921 20 0 EAADRO NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC000979731358 668497122 /nfs/dbraw/zinc/49/71/22/668497122.db2.gz OUXJOZLCIFBGKL-GARJFASQSA-N 1 0 349.395 -1.921 20 0 EAADRO NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 ZINC000979731360 668496887 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/nfs/dbraw/zinc/57/80/35/668578035.db2.gz JEAGEAXOJFONJR-STQMWFEESA-N 1 0 337.380 -1.113 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981064048 668578729 /nfs/dbraw/zinc/57/87/29/668578729.db2.gz QVCNHFDKVJMJNS-GHMZBOCLSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981064049 668578747 /nfs/dbraw/zinc/57/87/47/668578747.db2.gz QVCNHFDKVJMJNS-MNOVXSKESA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981064050 668578756 /nfs/dbraw/zinc/57/87/56/668578756.db2.gz QVCNHFDKVJMJNS-QWRGUYRKSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981064051 668578703 /nfs/dbraw/zinc/57/87/03/668578703.db2.gz QVCNHFDKVJMJNS-WDEREUQCSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1nncc1C(=O)N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981070239 668578797 /nfs/dbraw/zinc/57/87/97/668578797.db2.gz NICPCVFVQFQCRM-UHFFFAOYSA-N 1 0 349.395 -1.095 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC000981071482 668578745 /nfs/dbraw/zinc/57/87/45/668578745.db2.gz GLRUXXFIOODFGQ-GHMZBOCLSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC000981071483 668578830 /nfs/dbraw/zinc/57/88/30/668578830.db2.gz GLRUXXFIOODFGQ-MNOVXSKESA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC000981071484 668578847 /nfs/dbraw/zinc/57/88/47/668578847.db2.gz GLRUXXFIOODFGQ-QWRGUYRKSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC000981071485 668578620 /nfs/dbraw/zinc/57/86/20/668578620.db2.gz GLRUXXFIOODFGQ-WDEREUQCSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC000981077848 668578599 /nfs/dbraw/zinc/57/85/99/668578599.db2.gz YIOIVDYKGTTZJB-GHMZBOCLSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC000981077850 668578853 /nfs/dbraw/zinc/57/88/53/668578853.db2.gz YIOIVDYKGTTZJB-MNOVXSKESA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC000981077851 668578842 /nfs/dbraw/zinc/57/88/42/668578842.db2.gz YIOIVDYKGTTZJB-QWRGUYRKSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC000981077852 668578671 /nfs/dbraw/zinc/57/86/71/668578671.db2.gz YIOIVDYKGTTZJB-WDEREUQCSA-N 1 0 349.395 -1.003 20 0 EAADRO O=C(C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ncc[nH]2)C1)N1CCNC(=O)C1 ZINC000981081149 668578648 /nfs/dbraw/zinc/57/86/48/668578648.db2.gz WVJCEPMABRHSTI-NEPJUHHUSA-N 1 0 348.407 -1.001 20 0 EAADRO O=C(C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1)N1CCNC(=O)C1 ZINC000981081150 668578686 /nfs/dbraw/zinc/57/86/86/668578686.db2.gz WVJCEPMABRHSTI-NWDGAFQWSA-N 1 0 348.407 -1.001 20 0 EAADRO O=C(C[NH2+][C@H]1CCC[C@H](NC(=O)c2ncc[nH]2)C1)N1CCNC(=O)C1 ZINC000981081151 668578602 /nfs/dbraw/zinc/57/86/02/668578602.db2.gz WVJCEPMABRHSTI-RYUDHWBXSA-N 1 0 348.407 -1.001 20 0 EAADRO O=C(C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1)N1CCNC(=O)C1 ZINC000981081152 668578689 /nfs/dbraw/zinc/57/86/89/668578689.db2.gz WVJCEPMABRHSTI-VXGBXAGGSA-N 1 0 348.407 -1.001 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)nc1=O ZINC000981092734 668578699 /nfs/dbraw/zinc/57/86/99/668578699.db2.gz YDLREIWJGVIAQR-NXEZZACHSA-N 1 0 335.372 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CCC[C@H](NC(=O)Cn3ncnn3)C2)nc1=O ZINC000981092735 668578650 /nfs/dbraw/zinc/57/86/50/668578650.db2.gz YDLREIWJGVIAQR-UWVGGRQHSA-N 1 0 335.372 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)nc1=O ZINC000981092736 668578641 /nfs/dbraw/zinc/57/86/41/668578641.db2.gz YDLREIWJGVIAQR-VHSXEESVSA-N 1 0 335.372 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cn3ncnn3)C2)nc1=O ZINC000981092737 668578591 /nfs/dbraw/zinc/57/85/91/668578591.db2.gz YDLREIWJGVIAQR-ZJUUUORDSA-N 1 0 335.372 -1.688 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000981095519 668579146 /nfs/dbraw/zinc/57/91/46/668579146.db2.gz VYCIKSCKUADMMJ-NEPJUHHUSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000981095520 668579134 /nfs/dbraw/zinc/57/91/34/668579134.db2.gz VYCIKSCKUADMMJ-NWDGAFQWSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000981095522 668579299 /nfs/dbraw/zinc/57/92/99/668579299.db2.gz VYCIKSCKUADMMJ-RYUDHWBXSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000981095523 668579247 /nfs/dbraw/zinc/57/92/47/668579247.db2.gz VYCIKSCKUADMMJ-VXGBXAGGSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981096142 668579244 /nfs/dbraw/zinc/57/92/44/668579244.db2.gz ZEKVBNBZPZQLKW-NEPJUHHUSA-N 1 0 336.400 -1.285 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981096144 668579240 /nfs/dbraw/zinc/57/92/40/668579240.db2.gz ZEKVBNBZPZQLKW-NWDGAFQWSA-N 1 0 336.400 -1.285 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981096146 668579313 /nfs/dbraw/zinc/57/93/13/668579313.db2.gz ZEKVBNBZPZQLKW-RYUDHWBXSA-N 1 0 336.400 -1.285 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981096147 668579294 /nfs/dbraw/zinc/57/92/94/668579294.db2.gz ZEKVBNBZPZQLKW-VXGBXAGGSA-N 1 0 336.400 -1.285 20 0 EAADRO Cn1cc(C(=O)N2CCC[N@H+](CCCN3C(=O)CNC3=O)CC2)nn1 ZINC000981096929 668579176 /nfs/dbraw/zinc/57/91/76/668579176.db2.gz TYTMVNILHIQALL-UHFFFAOYSA-N 1 0 349.395 -1.095 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3cnon3)C2)n1 ZINC000981098151 668579251 /nfs/dbraw/zinc/57/92/51/668579251.db2.gz IBIUQTQDRAOXCU-NXEZZACHSA-N 1 0 348.367 -1.023 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[C@H]([NH2+]Cc3cnon3)C2)n1 ZINC000981098152 668579150 /nfs/dbraw/zinc/57/91/50/668579150.db2.gz IBIUQTQDRAOXCU-UWVGGRQHSA-N 1 0 348.367 -1.023 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3cnon3)C2)n1 ZINC000981098153 668579223 /nfs/dbraw/zinc/57/92/23/668579223.db2.gz IBIUQTQDRAOXCU-VHSXEESVSA-N 1 0 348.367 -1.023 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3cnon3)C2)n1 ZINC000981098154 668579285 /nfs/dbraw/zinc/57/92/85/668579285.db2.gz IBIUQTQDRAOXCU-ZJUUUORDSA-N 1 0 348.367 -1.023 20 0 EAADRO Cn1cnc(C(=O)N2CCC[N@H+](CCCN3C(=O)CNC3=O)CC2)n1 ZINC000981106375 668579541 /nfs/dbraw/zinc/57/95/41/668579541.db2.gz ZZHWYQPLRSBSCE-UHFFFAOYSA-N 1 0 349.395 -1.095 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000981110654 668579695 /nfs/dbraw/zinc/57/96/95/668579695.db2.gz NOOAPRNCITWTSP-GHMZBOCLSA-N 1 0 342.425 -1.228 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000981110655 668579641 /nfs/dbraw/zinc/57/96/41/668579641.db2.gz NOOAPRNCITWTSP-MNOVXSKESA-N 1 0 342.425 -1.228 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000981110656 668579782 /nfs/dbraw/zinc/57/97/82/668579782.db2.gz NOOAPRNCITWTSP-QWRGUYRKSA-N 1 0 342.425 -1.228 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000981110657 668579584 /nfs/dbraw/zinc/57/95/84/668579584.db2.gz NOOAPRNCITWTSP-WDEREUQCSA-N 1 0 342.425 -1.228 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981114498 668579303 /nfs/dbraw/zinc/57/93/03/668579303.db2.gz NBXDBYRSRPJMTG-NEPJUHHUSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981114499 668579195 /nfs/dbraw/zinc/57/91/95/668579195.db2.gz NBXDBYRSRPJMTG-NWDGAFQWSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981114500 668579284 /nfs/dbraw/zinc/57/92/84/668579284.db2.gz NBXDBYRSRPJMTG-RYUDHWBXSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000981114501 668579268 /nfs/dbraw/zinc/57/92/68/668579268.db2.gz NBXDBYRSRPJMTG-VXGBXAGGSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)Cn3nccn3)C2)nc1=O ZINC000981116641 668579271 /nfs/dbraw/zinc/57/92/71/668579271.db2.gz WOLGKZCZWXFJBQ-GHMZBOCLSA-N 1 0 334.384 -1.083 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cn3nccn3)C2)nc1=O ZINC000981116642 668579281 /nfs/dbraw/zinc/57/92/81/668579281.db2.gz WOLGKZCZWXFJBQ-MNOVXSKESA-N 1 0 334.384 -1.083 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CCC[C@H](NC(=O)Cn3nccn3)C2)nc1=O ZINC000981116643 668579288 /nfs/dbraw/zinc/57/92/88/668579288.db2.gz WOLGKZCZWXFJBQ-QWRGUYRKSA-N 1 0 334.384 -1.083 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cn3nccn3)C2)nc1=O ZINC000981116644 668579230 /nfs/dbraw/zinc/57/92/30/668579230.db2.gz WOLGKZCZWXFJBQ-WDEREUQCSA-N 1 0 334.384 -1.083 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC000981123942 668579853 /nfs/dbraw/zinc/57/98/53/668579853.db2.gz HCMWCKDVIIAEHO-GHMZBOCLSA-N 1 0 332.426 -1.476 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC000981123946 668579486 /nfs/dbraw/zinc/57/94/86/668579486.db2.gz HCMWCKDVIIAEHO-MNOVXSKESA-N 1 0 332.426 -1.476 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC000981123948 668579832 /nfs/dbraw/zinc/57/98/32/668579832.db2.gz HCMWCKDVIIAEHO-QWRGUYRKSA-N 1 0 332.426 -1.476 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC000981123950 668579788 /nfs/dbraw/zinc/57/97/88/668579788.db2.gz HCMWCKDVIIAEHO-WDEREUQCSA-N 1 0 332.426 -1.476 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)c1=O ZINC000981126736 668579834 /nfs/dbraw/zinc/57/98/34/668579834.db2.gz YJCQIVMTUTXDOT-GHMZBOCLSA-N 1 0 337.380 -1.951 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)c1=O ZINC000981126737 668579752 /nfs/dbraw/zinc/57/97/52/668579752.db2.gz YJCQIVMTUTXDOT-MNOVXSKESA-N 1 0 337.380 -1.951 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)c1=O ZINC000981126738 668579821 /nfs/dbraw/zinc/57/98/21/668579821.db2.gz YJCQIVMTUTXDOT-QWRGUYRKSA-N 1 0 337.380 -1.951 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)c1=O ZINC000981126739 668579786 /nfs/dbraw/zinc/57/97/86/668579786.db2.gz YJCQIVMTUTXDOT-WDEREUQCSA-N 1 0 337.380 -1.951 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[N@H+](C[C@H]2CCc3ncnn32)CC1 ZINC000981170892 668580063 /nfs/dbraw/zinc/58/00/63/668580063.db2.gz FSUMEBWHBLGBKZ-GFCCVEGCSA-N 1 0 331.384 -1.014 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[N@H+](C[C@@H]2CCc3ncnn32)CC1 ZINC000981170895 668580369 /nfs/dbraw/zinc/58/03/69/668580369.db2.gz FSUMEBWHBLGBKZ-LBPRGKRZSA-N 1 0 331.384 -1.014 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC000981174878 668580862 /nfs/dbraw/zinc/58/08/62/668580862.db2.gz ZVOJJDMUOKEROF-CYBMUJFWSA-N 1 0 334.384 -1.535 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC000981174880 668580906 /nfs/dbraw/zinc/58/09/06/668580906.db2.gz ZVOJJDMUOKEROF-ZDUSSCGKSA-N 1 0 334.384 -1.535 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000981180351 668580682 /nfs/dbraw/zinc/58/06/82/668580682.db2.gz CDPXNIXLHRKFCJ-NEPJUHHUSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000981180352 668580669 /nfs/dbraw/zinc/58/06/69/668580669.db2.gz CDPXNIXLHRKFCJ-NWDGAFQWSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000981180353 668580884 /nfs/dbraw/zinc/58/08/84/668580884.db2.gz CDPXNIXLHRKFCJ-RYUDHWBXSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000981180354 668580858 /nfs/dbraw/zinc/58/08/58/668580858.db2.gz CDPXNIXLHRKFCJ-VXGBXAGGSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC000981180994 668580185 /nfs/dbraw/zinc/58/01/85/668580185.db2.gz GOGXRWGELQMDNG-NEPJUHHUSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC000981180995 668580217 /nfs/dbraw/zinc/58/02/17/668580217.db2.gz GOGXRWGELQMDNG-NWDGAFQWSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC000981180996 668580257 /nfs/dbraw/zinc/58/02/57/668580257.db2.gz GOGXRWGELQMDNG-RYUDHWBXSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC000981180997 668580357 /nfs/dbraw/zinc/58/03/57/668580357.db2.gz GOGXRWGELQMDNG-VXGBXAGGSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3cnnn3C)C2)c1=O ZINC000981181219 668580011 /nfs/dbraw/zinc/58/00/11/668580011.db2.gz JRCGOKWVHYBSME-NEPJUHHUSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3cnnn3C)C2)c1=O ZINC000981181220 668580118 /nfs/dbraw/zinc/58/01/18/668580118.db2.gz JRCGOKWVHYBSME-NWDGAFQWSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@H]([NH2+]Cc3cnnn3C)C2)c1=O ZINC000981181221 668580138 /nfs/dbraw/zinc/58/01/38/668580138.db2.gz JRCGOKWVHYBSME-RYUDHWBXSA-N 1 0 348.411 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O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC000985133006 685171640 /nfs/dbraw/zinc/17/16/40/685171640.db2.gz FXZUVIYTTCRZAJ-FIQHERPVSA-N 1 0 344.437 -1.559 20 0 EAADRO O=C(N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000985133007 685171751 /nfs/dbraw/zinc/17/17/51/685171751.db2.gz FXZUVIYTTCRZAJ-KKOKHZNYSA-N 1 0 344.437 -1.559 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000985133310 685171717 /nfs/dbraw/zinc/17/17/17/685171717.db2.gz JNLRLUJXNRPVSZ-DCAQKATOSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000985133312 685171463 /nfs/dbraw/zinc/17/14/63/685171463.db2.gz JNLRLUJXNRPVSZ-GMTAPVOTSA-N 1 0 342.425 -1.509 20 0 EAADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@H]1CCS(=O)(=O)N1 ZINC000985133612 685171708 /nfs/dbraw/zinc/17/17/08/685171708.db2.gz KXEBDGJWYOKNMT-FXPVBKGRSA-N 1 0 329.382 -1.254 20 0 EAADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000985133613 685171806 /nfs/dbraw/zinc/17/18/06/685171806.db2.gz KXEBDGJWYOKNMT-QXEWZRGKSA-N 1 0 329.382 -1.254 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC000985133619 685171526 /nfs/dbraw/zinc/17/15/26/685171526.db2.gz LBAJDMYMOKEEPN-CKYFFXLPSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC000985133620 685171757 /nfs/dbraw/zinc/17/17/57/685171757.db2.gz LBAJDMYMOKEEPN-NHCYSSNCSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000985133768 685171662 /nfs/dbraw/zinc/17/16/62/685171662.db2.gz MKTZUSDOJFSQQN-GUBZILKMSA-N 1 0 343.413 -2.114 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000985133778 685171831 /nfs/dbraw/zinc/17/18/31/685171831.db2.gz MKTZUSDOJFSQQN-OPRDCNLKSA-N 1 0 343.413 -2.114 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC000985133816 685171565 /nfs/dbraw/zinc/17/15/65/685171565.db2.gz MTVQZBRIKAKMSC-BJDJZHNGSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC000985133819 685171384 /nfs/dbraw/zinc/17/13/84/685171384.db2.gz MTVQZBRIKAKMSC-DDHJBXDOSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC000985133820 685171801 /nfs/dbraw/zinc/17/18/01/685171801.db2.gz MTVQZBRIKAKMSC-FIQHERPVSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC000985133822 685171542 /nfs/dbraw/zinc/17/15/42/685171542.db2.gz MTVQZBRIKAKMSC-KKOKHZNYSA-N 1 0 344.437 -1.607 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC000985134403 685171370 /nfs/dbraw/zinc/17/13/70/685171370.db2.gz OJJUCECDTWRCQH-CKYFFXLPSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC000985134404 685171690 /nfs/dbraw/zinc/17/16/90/685171690.db2.gz OJJUCECDTWRCQH-NHCYSSNCSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000985134422 685171629 /nfs/dbraw/zinc/17/16/29/685171629.db2.gz PKRWJEUMDRCUSS-DCAQKATOSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000985134423 685171411 /nfs/dbraw/zinc/17/14/11/685171411.db2.gz PKRWJEUMDRCUSS-GMTAPVOTSA-N 1 0 342.425 -1.509 20 0 EAADRO O=C(N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000985134865 685171547 /nfs/dbraw/zinc/17/15/47/685171547.db2.gz UIGYDLPHTSEQGM-DBIOUOCHSA-N 1 0 330.410 -1.949 20 0 EAADRO O=C(N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC000985134868 685171601 /nfs/dbraw/zinc/17/16/01/685171601.db2.gz UIGYDLPHTSEQGM-GWOFURMSSA-N 1 0 330.410 -1.949 20 0 EAADRO O=C(N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000985134870 685171704 /nfs/dbraw/zinc/17/17/04/685171704.db2.gz UIGYDLPHTSEQGM-NAKRPEOUSA-N 1 0 330.410 -1.949 20 0 EAADRO O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC000985134871 685171619 /nfs/dbraw/zinc/17/16/19/685171619.db2.gz UIGYDLPHTSEQGM-XWLWVQCSSA-N 1 0 330.410 -1.949 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985136839 685171396 /nfs/dbraw/zinc/17/13/96/685171396.db2.gz DIBYXQWKQLNYHT-AAVRWANBSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985136842 685171782 /nfs/dbraw/zinc/17/17/82/685171782.db2.gz DIBYXQWKQLNYHT-SYQHCUMBSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985136844 668941766 /nfs/dbraw/zinc/94/17/66/668941766.db2.gz DIBYXQWKQLNYHT-XDQVBPFNSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985136847 668941968 /nfs/dbraw/zinc/94/19/68/668941968.db2.gz DIBYXQWKQLNYHT-XUXIUFHCSA-N 1 0 338.408 -1.393 20 0 EAADRO O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCCS1(=O)=O ZINC000985140741 668942099 /nfs/dbraw/zinc/94/20/99/668942099.db2.gz PEYJKPDAYMESDM-BJDJZHNGSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCCS1(=O)=O ZINC000985140747 668941843 /nfs/dbraw/zinc/94/18/43/668941843.db2.gz PEYJKPDAYMESDM-DDHJBXDOSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2=O)C1)[C@H]1CCCS1(=O)=O ZINC000985140749 668941743 /nfs/dbraw/zinc/94/17/43/668941743.db2.gz PEYJKPDAYMESDM-FIQHERPVSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCCS1(=O)=O ZINC000985140752 668942218 /nfs/dbraw/zinc/94/22/18/668942218.db2.gz PEYJKPDAYMESDM-KKOKHZNYSA-N 1 0 329.422 -1.064 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000985141517 668942031 /nfs/dbraw/zinc/94/20/31/668942031.db2.gz WFUPJHUKASORRP-DCAQKATOSA-N 1 0 342.425 -1.228 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000985141519 668941795 /nfs/dbraw/zinc/94/17/95/668941795.db2.gz WFUPJHUKASORRP-GMTAPVOTSA-N 1 0 342.425 -1.228 20 0 EAADRO CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC000985144244 668942055 /nfs/dbraw/zinc/94/20/55/668942055.db2.gz YDQPZYFMHJZCPL-AVGNSLFASA-N 1 0 337.428 -1.085 20 0 EAADRO CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC000985144247 668941995 /nfs/dbraw/zinc/94/19/95/668941995.db2.gz YDQPZYFMHJZCPL-JHJVBQTASA-N 1 0 337.428 -1.085 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000985154072 668943056 /nfs/dbraw/zinc/94/30/56/668943056.db2.gz BSZFIVODWFXHSC-KYZUINATSA-N 1 0 348.371 -2.415 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC000985154082 668942793 /nfs/dbraw/zinc/94/27/93/668942793.db2.gz CJMOFMJHBMTJIT-GUBZILKMSA-N 1 0 335.368 -2.250 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC000985154083 668942755 /nfs/dbraw/zinc/94/27/55/668942755.db2.gz CJMOFMJHBMTJIT-OPRDCNLKSA-N 1 0 335.368 -2.250 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000985154093 668942878 /nfs/dbraw/zinc/94/28/78/668942878.db2.gz DFJQJVYZYVAJMR-XYPYZODXSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC000985154107 668942820 /nfs/dbraw/zinc/94/28/20/668942820.db2.gz FIDKXMNXRJWSAW-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000985154134 668942613 /nfs/dbraw/zinc/94/26/13/668942613.db2.gz HMNUNXWYRIRXMJ-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000985154139 668942771 /nfs/dbraw/zinc/94/27/71/668942771.db2.gz HRQJVVJUNYVWPG-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC000985154612 668942667 /nfs/dbraw/zinc/94/26/67/668942667.db2.gz JOPVZVDWKSIKQI-UMSPYCQHSA-N 1 0 346.395 -1.205 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000985154680 668942587 /nfs/dbraw/zinc/94/25/87/668942587.db2.gz MLGSPAPZYCCMLS-DCAQKATOSA-N 1 0 349.395 -1.908 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC000985154682 668942787 /nfs/dbraw/zinc/94/27/87/668942787.db2.gz MLGSPAPZYCCMLS-GMTAPVOTSA-N 1 0 349.395 -1.908 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC000985154726 668943044 /nfs/dbraw/zinc/94/30/44/668943044.db2.gz ODVXTCOLWHMORN-UMSPYCQHSA-N 1 0 346.395 -1.205 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncccn3)C2)nn1 ZINC000985154765 668942953 /nfs/dbraw/zinc/94/29/53/668942953.db2.gz PPDWVLSDPOEIGI-XYPYZODXSA-N 1 0 344.379 -1.148 20 0 EAADRO 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346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986292503 669000168 /nfs/dbraw/zinc/00/01/68/669000168.db2.gz MKWFSEPQJWETNY-ZYHUDNBSSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986292547 669000071 /nfs/dbraw/zinc/00/00/71/669000071.db2.gz NMHBVVOWVMZPBU-CMPLNLGQSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986292548 668999957 /nfs/dbraw/zinc/99/99/57/668999957.db2.gz NMHBVVOWVMZPBU-JQWIXIFHSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986292549 669000217 /nfs/dbraw/zinc/00/02/17/669000217.db2.gz NMHBVVOWVMZPBU-PWSUYJOCSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986292550 669000157 /nfs/dbraw/zinc/00/01/57/669000157.db2.gz NMHBVVOWVMZPBU-ZYHUDNBSSA-N 1 0 346.395 -1.110 20 0 EAADRO 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C[C@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986498390 669007243 /nfs/dbraw/zinc/00/72/43/669007243.db2.gz CKAHAFASBCJVTG-NWDGAFQWSA-N 1 0 347.379 -1.180 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986498391 669007723 /nfs/dbraw/zinc/00/77/23/669007723.db2.gz CKAHAFASBCJVTG-RYUDHWBXSA-N 1 0 347.379 -1.180 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986498393 669007344 /nfs/dbraw/zinc/00/73/44/669007344.db2.gz CKAHAFASBCJVTG-VXGBXAGGSA-N 1 0 347.379 -1.180 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986498836 669007636 /nfs/dbraw/zinc/00/76/36/669007636.db2.gz FGLNKVUOMAGIRO-CMPLNLGQSA-N 1 0 347.379 -1.143 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986498837 669007295 /nfs/dbraw/zinc/00/72/95/669007295.db2.gz FGLNKVUOMAGIRO-JQWIXIFHSA-N 1 0 347.379 -1.143 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986498838 669007526 /nfs/dbraw/zinc/00/75/26/669007526.db2.gz FGLNKVUOMAGIRO-PWSUYJOCSA-N 1 0 347.379 -1.143 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986498839 669007351 /nfs/dbraw/zinc/00/73/51/669007351.db2.gz FGLNKVUOMAGIRO-ZYHUDNBSSA-N 1 0 347.379 -1.143 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986500804 669008306 /nfs/dbraw/zinc/00/83/06/669008306.db2.gz OBZSDUNFYXZBFM-NEPJUHHUSA-N 1 0 349.391 -1.240 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986500806 669008157 /nfs/dbraw/zinc/00/81/57/669008157.db2.gz OBZSDUNFYXZBFM-NWDGAFQWSA-N 1 0 349.391 -1.240 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986500808 669007977 /nfs/dbraw/zinc/00/79/77/669007977.db2.gz OBZSDUNFYXZBFM-RYUDHWBXSA-N 1 0 349.391 -1.240 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000986500810 669008274 /nfs/dbraw/zinc/00/82/74/669008274.db2.gz OBZSDUNFYXZBFM-VXGBXAGGSA-N 1 0 349.391 -1.240 20 0 EAADRO COCCn1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H]2C)ccc1=O ZINC000986514683 669008006 /nfs/dbraw/zinc/00/80/06/669008006.db2.gz GPKKXHVOTDIODO-GHMZBOCLSA-N 1 0 337.380 -1.432 20 0 EAADRO COCCn1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H]2C)ccc1=O ZINC000986514698 669008233 /nfs/dbraw/zinc/00/82/33/669008233.db2.gz GPKKXHVOTDIODO-MNOVXSKESA-N 1 0 337.380 -1.432 20 0 EAADRO COCCn1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)ccc1=O ZINC000986514701 669008404 /nfs/dbraw/zinc/00/84/04/669008404.db2.gz GPKKXHVOTDIODO-QWRGUYRKSA-N 1 0 337.380 -1.432 20 0 EAADRO COCCn1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H]2C)ccc1=O ZINC000986514705 669008164 /nfs/dbraw/zinc/00/81/64/669008164.db2.gz GPKKXHVOTDIODO-WDEREUQCSA-N 1 0 337.380 -1.432 20 0 EAADRO C[C@@H]1[C@H](NCc2nnnn2C)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000986521053 669008152 /nfs/dbraw/zinc/00/81/52/669008152.db2.gz UKXSIGKGDOEHGL-GHMZBOCLSA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000986521054 669008243 /nfs/dbraw/zinc/00/82/43/669008243.db2.gz UKXSIGKGDOEHGL-MNOVXSKESA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000986521055 669008053 /nfs/dbraw/zinc/00/80/53/669008053.db2.gz UKXSIGKGDOEHGL-QWRGUYRKSA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@H]1[C@H](NCc2nnnn2C)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000986521056 669007963 /nfs/dbraw/zinc/00/79/63/669007963.db2.gz UKXSIGKGDOEHGL-WDEREUQCSA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000986521616 669008253 /nfs/dbraw/zinc/00/82/53/669008253.db2.gz ZBECOVVPFFYUBE-GHMZBOCLSA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000986521617 669007988 /nfs/dbraw/zinc/00/79/88/669007988.db2.gz ZBECOVVPFFYUBE-MNOVXSKESA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000986521618 669008144 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EAADRO C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986584827 669010446 /nfs/dbraw/zinc/01/04/46/669010446.db2.gz BSHJKGYQSJKJBM-NXEZZACHSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986584833 669010464 /nfs/dbraw/zinc/01/04/64/669010464.db2.gz BSHJKGYQSJKJBM-UWVGGRQHSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986584838 669010274 /nfs/dbraw/zinc/01/02/74/669010274.db2.gz BSHJKGYQSJKJBM-VHSXEESVSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986584843 669010312 /nfs/dbraw/zinc/01/03/12/669010312.db2.gz BSHJKGYQSJKJBM-ZJUUUORDSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986589442 669010825 /nfs/dbraw/zinc/01/08/25/669010825.db2.gz QPEWPGFJLQICLU-NEPJUHHUSA-N 1 0 348.407 -1.002 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986589453 669010879 /nfs/dbraw/zinc/01/08/79/669010879.db2.gz QPEWPGFJLQICLU-NWDGAFQWSA-N 1 0 348.407 -1.002 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986589456 669010907 /nfs/dbraw/zinc/01/09/07/669010907.db2.gz QPEWPGFJLQICLU-RYUDHWBXSA-N 1 0 348.407 -1.002 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986589457 669011152 /nfs/dbraw/zinc/01/11/52/669011152.db2.gz QPEWPGFJLQICLU-VXGBXAGGSA-N 1 0 348.407 -1.002 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986591623 669010798 /nfs/dbraw/zinc/01/07/98/669010798.db2.gz KHQACPQTPHBURV-CHWSQXEVSA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986591625 669010984 /nfs/dbraw/zinc/01/09/84/669010984.db2.gz KHQACPQTPHBURV-OLZOCXBDSA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986591627 669010815 /nfs/dbraw/zinc/01/08/15/669010815.db2.gz KHQACPQTPHBURV-QWHCGFSZSA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986591629 669010916 /nfs/dbraw/zinc/01/09/16/669010916.db2.gz KHQACPQTPHBURV-STQMWFEESA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC000986603270 669012001 /nfs/dbraw/zinc/01/20/01/669012001.db2.gz UBBKINAOBMLUFF-GXSJLCMTSA-N 1 0 330.352 -1.265 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC000986603290 669012492 /nfs/dbraw/zinc/01/24/92/669012492.db2.gz UBBKINAOBMLUFF-KOLCDFICSA-N 1 0 330.352 -1.265 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC000986603295 669012235 /nfs/dbraw/zinc/01/22/35/669012235.db2.gz UBBKINAOBMLUFF-MWLCHTKSSA-N 1 0 330.352 -1.265 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC000986603300 669012353 /nfs/dbraw/zinc/01/23/53/669012353.db2.gz UBBKINAOBMLUFF-ONGXEEELSA-N 1 0 330.352 -1.265 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986604530 669012481 /nfs/dbraw/zinc/01/24/81/669012481.db2.gz YIKQUDBAOGLLRW-AAEUAGOBSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986604531 669012088 /nfs/dbraw/zinc/01/20/88/669012088.db2.gz YIKQUDBAOGLLRW-DGCLKSJQSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986604532 669012428 /nfs/dbraw/zinc/01/24/28/669012428.db2.gz YIKQUDBAOGLLRW-WCQYABFASA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CCn1ncn(C)c1=O ZINC000986604533 669012250 /nfs/dbraw/zinc/01/22/50/669012250.db2.gz YIKQUDBAOGLLRW-YPMHNXCESA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cnco1 ZINC000986614352 669012538 /nfs/dbraw/zinc/01/25/38/669012538.db2.gz AKDACCPKVYZAFN-GHMZBOCLSA-N 1 0 335.364 -1.174 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cnco1 ZINC000986614357 669011980 /nfs/dbraw/zinc/01/19/80/669011980.db2.gz AKDACCPKVYZAFN-MNOVXSKESA-N 1 0 335.364 -1.174 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cnco1 ZINC000986614359 669012406 /nfs/dbraw/zinc/01/24/06/669012406.db2.gz AKDACCPKVYZAFN-QWRGUYRKSA-N 1 0 335.364 -1.174 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cnco1 ZINC000986614361 669012514 /nfs/dbraw/zinc/01/25/14/669012514.db2.gz AKDACCPKVYZAFN-WDEREUQCSA-N 1 0 335.364 -1.174 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000986622926 669012460 /nfs/dbraw/zinc/01/24/60/669012460.db2.gz LWATWKAJZPENEO-GHMZBOCLSA-N 1 0 332.364 -1.440 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000986622927 669012375 /nfs/dbraw/zinc/01/23/75/669012375.db2.gz LWATWKAJZPENEO-MNOVXSKESA-N 1 0 332.364 -1.440 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000986622928 669012013 /nfs/dbraw/zinc/01/20/13/669012013.db2.gz LWATWKAJZPENEO-QWRGUYRKSA-N 1 0 332.364 -1.440 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000986622929 669012135 /nfs/dbraw/zinc/01/21/35/669012135.db2.gz LWATWKAJZPENEO-WDEREUQCSA-N 1 0 332.364 -1.440 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H]2C)nn1-c1nc[nH]n1 ZINC000986633556 669012271 /nfs/dbraw/zinc/01/22/71/669012271.db2.gz LIIAXIUUCSCRFN-APPZFPTMSA-N 1 0 333.356 -1.628 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)nn1-c1nc[nH]n1 ZINC000986633557 669012569 /nfs/dbraw/zinc/01/25/69/669012569.db2.gz LIIAXIUUCSCRFN-CBAPKCEASA-N 1 0 333.356 -1.628 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H]2C)nn1-c1nc[nH]n1 ZINC000986633559 669013268 /nfs/dbraw/zinc/01/32/68/669013268.db2.gz LIIAXIUUCSCRFN-IONNQARKSA-N 1 0 333.356 -1.628 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H]2C)nn1-c1nc[nH]n1 ZINC000986633560 669013323 /nfs/dbraw/zinc/01/33/23/669013323.db2.gz LIIAXIUUCSCRFN-VXNVDRBHSA-N 1 0 333.356 -1.628 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000986641588 669012757 /nfs/dbraw/zinc/01/27/57/669012757.db2.gz INSNINGJRHHZMO-AAEUAGOBSA-N 1 0 348.407 -1.131 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000986641590 669013364 /nfs/dbraw/zinc/01/33/64/669013364.db2.gz INSNINGJRHHZMO-DGCLKSJQSA-N 1 0 348.407 -1.131 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000986641592 669013146 /nfs/dbraw/zinc/01/31/46/669013146.db2.gz INSNINGJRHHZMO-WCQYABFASA-N 1 0 348.407 -1.131 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000986641594 669012787 /nfs/dbraw/zinc/01/27/87/669012787.db2.gz INSNINGJRHHZMO-YPMHNXCESA-N 1 0 348.407 -1.131 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000986643733 669013001 /nfs/dbraw/zinc/01/30/01/669013001.db2.gz OCSWPVBRRNTAAX-GHMZBOCLSA-N 1 0 349.395 -1.736 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000986643734 669012827 /nfs/dbraw/zinc/01/28/27/669012827.db2.gz OCSWPVBRRNTAAX-MNOVXSKESA-N 1 0 349.395 -1.736 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000986643735 669013095 /nfs/dbraw/zinc/01/30/95/669013095.db2.gz OCSWPVBRRNTAAX-QWRGUYRKSA-N 1 0 349.395 -1.736 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000986643736 669012719 /nfs/dbraw/zinc/01/27/19/669012719.db2.gz OCSWPVBRRNTAAX-WDEREUQCSA-N 1 0 349.395 -1.736 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC000986646281 669013341 /nfs/dbraw/zinc/01/33/41/669013341.db2.gz XQAGQRDTVDQPRH-NXEZZACHSA-N 1 0 335.368 -1.142 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC000986646284 669013072 /nfs/dbraw/zinc/01/30/72/669013072.db2.gz XQAGQRDTVDQPRH-UWVGGRQHSA-N 1 0 335.368 -1.142 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC000986646287 669012898 /nfs/dbraw/zinc/01/28/98/669012898.db2.gz XQAGQRDTVDQPRH-VHSXEESVSA-N 1 0 335.368 -1.142 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC000986646289 669013353 /nfs/dbraw/zinc/01/33/53/669013353.db2.gz XQAGQRDTVDQPRH-ZJUUUORDSA-N 1 0 335.368 -1.142 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1nnn(C)n1 ZINC000986655823 669013114 /nfs/dbraw/zinc/01/31/14/669013114.db2.gz KKOMIDGALMKRJX-GHMZBOCLSA-N 1 0 337.384 -1.739 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1nnn(C)n1 ZINC000986655824 669012846 /nfs/dbraw/zinc/01/28/46/669012846.db2.gz KKOMIDGALMKRJX-MNOVXSKESA-N 1 0 337.384 -1.739 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1nnn(C)n1 ZINC000986655825 669012986 /nfs/dbraw/zinc/01/29/86/669012986.db2.gz KKOMIDGALMKRJX-QWRGUYRKSA-N 1 0 337.384 -1.739 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1nnn(C)n1 ZINC000986655826 669013298 /nfs/dbraw/zinc/01/32/98/669013298.db2.gz KKOMIDGALMKRJX-WDEREUQCSA-N 1 0 337.384 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C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC000986661709 669013928 /nfs/dbraw/zinc/01/39/28/669013928.db2.gz FKCJFUBWWNMFIB-DTWKUNHWSA-N 1 0 336.356 -2.046 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC000986661711 669013626 /nfs/dbraw/zinc/01/36/26/669013626.db2.gz FKCJFUBWWNMFIB-IUCAKERBSA-N 1 0 336.356 -2.046 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC000986661713 669013990 /nfs/dbraw/zinc/01/39/90/669013990.db2.gz FKCJFUBWWNMFIB-RKDXNWHRSA-N 1 0 336.356 -2.046 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)c1nnn(C)n1 ZINC000986667117 669014024 /nfs/dbraw/zinc/01/40/24/669014024.db2.gz YGMIKECGPCVPNL-NXEZZACHSA-N 1 0 335.368 -1.448 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)c1nnn(C)n1 ZINC000986667119 669013864 /nfs/dbraw/zinc/01/38/64/669013864.db2.gz YGMIKECGPCVPNL-UWVGGRQHSA-N 1 0 335.368 -1.448 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)c1nnn(C)n1 ZINC000986667121 669013982 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ZINC000986668833 669014057 /nfs/dbraw/zinc/01/40/57/669014057.db2.gz HLFDAWQFNJXASM-JSGCOSHPSA-N 1 0 334.424 -1.069 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986668836 669014153 /nfs/dbraw/zinc/01/41/53/669014153.db2.gz HLFDAWQFNJXASM-OCCSQVGLSA-N 1 0 334.424 -1.069 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986668839 669013802 /nfs/dbraw/zinc/01/38/02/669013802.db2.gz HLFDAWQFNJXASM-TZMCWYRMSA-N 1 0 334.424 -1.069 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669130 669014119 /nfs/dbraw/zinc/01/41/19/669014119.db2.gz HUVCYQYMHRNMQT-KBPBESRZSA-N 1 0 334.424 -1.106 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669133 669013921 /nfs/dbraw/zinc/01/39/21/669013921.db2.gz HUVCYQYMHRNMQT-KGLIPLIRSA-N 1 0 334.424 -1.106 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669137 669014180 /nfs/dbraw/zinc/01/41/80/669014180.db2.gz HUVCYQYMHRNMQT-UONOGXRCSA-N 1 0 334.424 -1.106 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669141 669014112 /nfs/dbraw/zinc/01/41/12/669014112.db2.gz HUVCYQYMHRNMQT-ZIAGYGMSSA-N 1 0 334.424 -1.106 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669923 669013822 /nfs/dbraw/zinc/01/38/22/669013822.db2.gz JOAAWGXRGZZFCM-DZGCQCFKSA-N 1 0 348.451 -1.027 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669926 669013722 /nfs/dbraw/zinc/01/37/22/669013722.db2.gz JOAAWGXRGZZFCM-HIFRSBDPSA-N 1 0 348.451 -1.027 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669929 669014048 /nfs/dbraw/zinc/01/40/48/669014048.db2.gz JOAAWGXRGZZFCM-UKRRQHHQSA-N 1 0 348.451 -1.027 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986669932 669013897 /nfs/dbraw/zinc/01/38/97/669013897.db2.gz JOAAWGXRGZZFCM-ZFWWWQNUSA-N 1 0 348.451 -1.027 20 0 EAADRO 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C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)COc1cnn(C)c1 ZINC000986745573 669016243 /nfs/dbraw/zinc/01/62/43/669016243.db2.gz DZJIIXQJRXFPKL-ZYHUDNBSSA-N 1 0 349.395 -1.000 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986746123 669016458 /nfs/dbraw/zinc/01/64/58/669016458.db2.gz GRQCKCRAGAKIMF-BDAKNGLRSA-N 1 0 333.352 -1.416 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986746173 669016489 /nfs/dbraw/zinc/01/64/89/669016489.db2.gz GRQCKCRAGAKIMF-DTWKUNHWSA-N 1 0 333.352 -1.416 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986746176 669016289 /nfs/dbraw/zinc/01/62/89/669016289.db2.gz GRQCKCRAGAKIMF-IUCAKERBSA-N 1 0 333.352 -1.416 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986746179 669016405 /nfs/dbraw/zinc/01/64/05/669016405.db2.gz GRQCKCRAGAKIMF-RKDXNWHRSA-N 1 0 333.352 -1.416 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752080 669015934 /nfs/dbraw/zinc/01/59/34/669015934.db2.gz XXOCWFAHVBTKAC-NEPJUHHUSA-N 1 0 349.391 -1.179 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752081 669015863 /nfs/dbraw/zinc/01/58/63/669015863.db2.gz XXOCWFAHVBTKAC-NWDGAFQWSA-N 1 0 349.391 -1.179 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752082 669015961 /nfs/dbraw/zinc/01/59/61/669015961.db2.gz XXOCWFAHVBTKAC-RYUDHWBXSA-N 1 0 349.391 -1.179 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752083 669016183 /nfs/dbraw/zinc/01/61/83/669016183.db2.gz XXOCWFAHVBTKAC-VXGBXAGGSA-N 1 0 349.391 -1.179 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)CC1 ZINC000986808067 669017711 /nfs/dbraw/zinc/01/77/11/669017711.db2.gz IMXHLXOCWHLRCC-CMPLNLGQSA-N 1 0 339.396 -2.259 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)CC1 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335.372 -1.736 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CCn1cnnn1 ZINC000987257074 669028686 /nfs/dbraw/zinc/02/86/86/669028686.db2.gz VVHAJURPBWIGGF-NEPJUHHUSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CCn1cnnn1 ZINC000987257077 669028533 /nfs/dbraw/zinc/02/85/33/669028533.db2.gz VVHAJURPBWIGGF-NWDGAFQWSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CCn1cnnn1 ZINC000987257078 669028384 /nfs/dbraw/zinc/02/83/84/669028384.db2.gz VVHAJURPBWIGGF-RYUDHWBXSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CCn1cnnn1 ZINC000987257080 669028662 /nfs/dbraw/zinc/02/86/62/669028662.db2.gz VVHAJURPBWIGGF-VXGBXAGGSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987262528 669029280 /nfs/dbraw/zinc/02/92/80/669029280.db2.gz VGHNECIJXXZVDV-NEPJUHHUSA-N 1 0 348.407 -1.510 20 0 EAADRO 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AXBHGXKASBSUAB-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000987320714 669031731 /nfs/dbraw/zinc/03/17/31/669031731.db2.gz XPYQQFSCJULWLE-BDAKNGLRSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000987320715 669031655 /nfs/dbraw/zinc/03/16/55/669031655.db2.gz XPYQQFSCJULWLE-DTWKUNHWSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000987320716 669031527 /nfs/dbraw/zinc/03/15/27/669031527.db2.gz XPYQQFSCJULWLE-IUCAKERBSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000987320717 669031406 /nfs/dbraw/zinc/03/14/06/669031406.db2.gz XPYQQFSCJULWLE-RKDXNWHRSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCC(=O)NC1=O ZINC000987322460 669031428 /nfs/dbraw/zinc/03/14/28/669031428.db2.gz SAUCTLLLBASCRO-CMPLNLGQSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCC(=O)NC1=O ZINC000987322462 669031254 /nfs/dbraw/zinc/03/12/54/669031254.db2.gz SAUCTLLLBASCRO-JQWIXIFHSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCC(=O)NC1=O ZINC000987322464 669031539 /nfs/dbraw/zinc/03/15/39/669031539.db2.gz SAUCTLLLBASCRO-PWSUYJOCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCC(=O)NC1=O ZINC000987322466 669031370 /nfs/dbraw/zinc/03/13/70/669031370.db2.gz SAUCTLLLBASCRO-ZYHUDNBSSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987327328 669032461 /nfs/dbraw/zinc/03/24/61/669032461.db2.gz DGGRRAOZETZCRN-NEPJUHHUSA-N 1 0 336.396 -1.215 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987327333 669032438 /nfs/dbraw/zinc/03/24/38/669032438.db2.gz DGGRRAOZETZCRN-NWDGAFQWSA-N 1 0 336.396 -1.215 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987327335 669032366 /nfs/dbraw/zinc/03/23/66/669032366.db2.gz DGGRRAOZETZCRN-RYUDHWBXSA-N 1 0 336.396 -1.215 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987327336 669032125 /nfs/dbraw/zinc/03/21/25/669032125.db2.gz DGGRRAOZETZCRN-VXGBXAGGSA-N 1 0 336.396 -1.215 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328607 669032524 /nfs/dbraw/zinc/03/25/24/669032524.db2.gz KOMZOTPAFLXNJS-NXEZZACHSA-N 1 0 335.368 -1.522 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328608 669032549 /nfs/dbraw/zinc/03/25/49/669032549.db2.gz KOMZOTPAFLXNJS-UWVGGRQHSA-N 1 0 335.368 -1.522 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328610 669032216 /nfs/dbraw/zinc/03/22/16/669032216.db2.gz KOMZOTPAFLXNJS-VHSXEESVSA-N 1 0 335.368 -1.522 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328613 669032536 /nfs/dbraw/zinc/03/25/36/669032536.db2.gz KOMZOTPAFLXNJS-ZJUUUORDSA-N 1 0 335.368 -1.522 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328826 669032141 /nfs/dbraw/zinc/03/21/41/669032141.db2.gz LHBUJJPMWVVMHU-GHMZBOCLSA-N 1 0 349.395 -2.115 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328827 669032405 /nfs/dbraw/zinc/03/24/05/669032405.db2.gz LHBUJJPMWVVMHU-MNOVXSKESA-N 1 0 349.395 -2.115 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328829 669032496 /nfs/dbraw/zinc/03/24/96/669032496.db2.gz LHBUJJPMWVVMHU-QWRGUYRKSA-N 1 0 349.395 -2.115 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1nnc[nH]1 ZINC000987328831 669032421 /nfs/dbraw/zinc/03/24/21/669032421.db2.gz LHBUJJPMWVVMHU-WDEREUQCSA-N 1 0 349.395 -2.115 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987352180 669033018 /nfs/dbraw/zinc/03/30/18/669033018.db2.gz LFIJIQINYSNLCV-CMPLNLGQSA-N 1 0 349.395 -1.212 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987352182 669033262 /nfs/dbraw/zinc/03/32/62/669033262.db2.gz LFIJIQINYSNLCV-JQWIXIFHSA-N 1 0 349.395 -1.212 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987352184 669032851 /nfs/dbraw/zinc/03/28/51/669032851.db2.gz LFIJIQINYSNLCV-PWSUYJOCSA-N 1 0 349.395 -1.212 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987352185 669032967 /nfs/dbraw/zinc/03/29/67/669032967.db2.gz LFIJIQINYSNLCV-ZYHUDNBSSA-N 1 0 349.395 -1.212 20 0 EAADRO COc1c(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)[nH]c(=O)[nH]c1=O ZINC000987357147 669033249 /nfs/dbraw/zinc/03/32/49/669033249.db2.gz YCHYMXURMCOIIH-BQBZGAKWSA-N 1 0 325.325 -1.426 20 0 EAADRO COc1c(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H]2C)[nH]c(=O)[nH]c1=O ZINC000987357149 669033168 /nfs/dbraw/zinc/03/31/68/669033168.db2.gz YCHYMXURMCOIIH-NKWVEPMBSA-N 1 0 325.325 -1.426 20 0 EAADRO COc1c(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H]2C)[nH]c(=O)[nH]c1=O ZINC000987357151 669033276 /nfs/dbraw/zinc/03/32/76/669033276.db2.gz YCHYMXURMCOIIH-RNFRBKRXSA-N 1 0 325.325 -1.426 20 0 EAADRO COc1c(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H]2C)[nH]c(=O)[nH]c1=O ZINC000987357153 669032867 /nfs/dbraw/zinc/03/28/67/669032867.db2.gz YCHYMXURMCOIIH-RQJHMYQMSA-N 1 0 325.325 -1.426 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987357531 669033012 /nfs/dbraw/zinc/03/30/12/669033012.db2.gz ZHFJBZHNMDZKDW-NEPJUHHUSA-N 1 0 349.395 -1.249 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987357535 669033303 /nfs/dbraw/zinc/03/33/03/669033303.db2.gz ZHFJBZHNMDZKDW-NWDGAFQWSA-N 1 0 349.395 -1.249 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987357540 669033148 /nfs/dbraw/zinc/03/31/48/669033148.db2.gz ZHFJBZHNMDZKDW-RYUDHWBXSA-N 1 0 349.395 -1.249 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC000987357545 669033053 /nfs/dbraw/zinc/03/30/53/669033053.db2.gz ZHFJBZHNMDZKDW-VXGBXAGGSA-N 1 0 349.395 -1.249 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](NCc3nnn(C)n3)[C@@H]2C)c(=O)n1C ZINC000987431633 669035349 /nfs/dbraw/zinc/03/53/49/669035349.db2.gz BFYFUJGKRDDFFG-GXSJLCMTSA-N 1 0 349.399 -1.807 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](NCc3nnn(C)n3)[C@H]2C)c(=O)n1C ZINC000987431634 669035285 /nfs/dbraw/zinc/03/52/85/669035285.db2.gz BFYFUJGKRDDFFG-KOLCDFICSA-N 1 0 349.399 -1.807 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](NCc3nnn(C)n3)[C@H]2C)c(=O)n1C ZINC000987431637 669035409 /nfs/dbraw/zinc/03/54/09/669035409.db2.gz BFYFUJGKRDDFFG-MWLCHTKSSA-N 1 0 349.399 -1.807 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](NCc3nnn(C)n3)[C@@H]2C)c(=O)n1C ZINC000987431638 669035159 /nfs/dbraw/zinc/03/51/59/669035159.db2.gz BFYFUJGKRDDFFG-ONGXEEELSA-N 1 0 349.399 -1.807 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+]Cc3cnnn3C)[C@@H]2C)c(=O)n1C ZINC000987441736 669035331 /nfs/dbraw/zinc/03/53/31/669035331.db2.gz TZAHNVDQDDLXDM-GWCFXTLKSA-N 1 0 348.411 -1.202 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H]([NH2+]Cc3cnnn3C)[C@@H]2C)c(=O)n1C ZINC000987441740 669034984 /nfs/dbraw/zinc/03/49/84/669034984.db2.gz TZAHNVDQDDLXDM-GXFFZTMASA-N 1 0 348.411 -1.202 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+]Cc3cnnn3C)[C@H]2C)c(=O)n1C ZINC000987441743 669034968 /nfs/dbraw/zinc/03/49/68/669034968.db2.gz TZAHNVDQDDLXDM-MFKMUULPSA-N 1 0 348.411 -1.202 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H]([NH2+]Cc3cnnn3C)[C@H]2C)c(=O)n1C ZINC000987441747 669035357 /nfs/dbraw/zinc/03/53/57/669035357.db2.gz TZAHNVDQDDLXDM-ZWNOBZJWSA-N 1 0 348.411 -1.202 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C)c(=O)n1C ZINC000987442893 669035339 /nfs/dbraw/zinc/03/53/39/669035339.db2.gz YSXBRAOSVDVWLJ-AAEUAGOBSA-N 1 0 348.411 -1.239 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)[C@H]2C)c(=O)n1C ZINC000987442895 669035250 /nfs/dbraw/zinc/03/52/50/669035250.db2.gz YSXBRAOSVDVWLJ-DGCLKSJQSA-N 1 0 348.411 -1.239 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)[C@@H]2C)c(=O)n1C ZINC000987442898 669035014 /nfs/dbraw/zinc/03/50/14/669035014.db2.gz YSXBRAOSVDVWLJ-WCQYABFASA-N 1 0 348.411 -1.239 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)[C@H]2C)c(=O)n1C ZINC000987442901 669035373 /nfs/dbraw/zinc/03/53/73/669035373.db2.gz YSXBRAOSVDVWLJ-YPMHNXCESA-N 1 0 348.411 -1.239 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000987458891 669035608 /nfs/dbraw/zinc/03/56/08/669035608.db2.gz JQDSWBSJWKJACQ-BDAKNGLRSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000987458892 669036101 /nfs/dbraw/zinc/03/61/01/669036101.db2.gz JQDSWBSJWKJACQ-DTWKUNHWSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000987458894 669035833 /nfs/dbraw/zinc/03/58/33/669035833.db2.gz JQDSWBSJWKJACQ-IUCAKERBSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000987458895 669035988 /nfs/dbraw/zinc/03/59/88/669035988.db2.gz JQDSWBSJWKJACQ-RKDXNWHRSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471949 669036025 /nfs/dbraw/zinc/03/60/25/669036025.db2.gz CGPPDJAMKCHGKZ-NXEZZACHSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471951 669035731 /nfs/dbraw/zinc/03/57/31/669035731.db2.gz CGPPDJAMKCHGKZ-UWVGGRQHSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471953 669035622 /nfs/dbraw/zinc/03/56/22/669035622.db2.gz CGPPDJAMKCHGKZ-VHSXEESVSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471955 669035760 /nfs/dbraw/zinc/03/57/60/669035760.db2.gz CGPPDJAMKCHGKZ-ZJUUUORDSA-N 1 0 347.379 -1.405 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cn1cncn1 ZINC000987472186 669035924 /nfs/dbraw/zinc/03/59/24/669035924.db2.gz QQNMOMZZNWWJOM-NEPJUHHUSA-N 1 0 349.395 -2.185 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C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987575725 669041061 /nfs/dbraw/zinc/04/10/61/669041061.db2.gz KIVPISVBKYLRFG-QWRGUYRKSA-N 1 0 349.395 -1.812 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987575727 669041120 /nfs/dbraw/zinc/04/11/20/669041120.db2.gz KIVPISVBKYLRFG-WDEREUQCSA-N 1 0 349.395 -1.812 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576192 669041100 /nfs/dbraw/zinc/04/11/00/669041100.db2.gz NTSMFPWZEPXEEX-CMPLNLGQSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576193 669041000 /nfs/dbraw/zinc/04/10/00/669041000.db2.gz NTSMFPWZEPXEEX-JQWIXIFHSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576194 669041324 /nfs/dbraw/zinc/04/13/24/669041324.db2.gz NTSMFPWZEPXEEX-PWSUYJOCSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576195 669041237 /nfs/dbraw/zinc/04/12/37/669041237.db2.gz NTSMFPWZEPXEEX-ZYHUDNBSSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576454 669040343 /nfs/dbraw/zinc/04/03/43/669040343.db2.gz ORCWZPYLRAPFHY-GHMZBOCLSA-N 1 0 347.383 -1.752 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576456 669040444 /nfs/dbraw/zinc/04/04/44/669040444.db2.gz ORCWZPYLRAPFHY-MNOVXSKESA-N 1 0 347.383 -1.752 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576458 669040089 /nfs/dbraw/zinc/04/00/89/669040089.db2.gz ORCWZPYLRAPFHY-QWRGUYRKSA-N 1 0 347.383 -1.752 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576460 669040314 /nfs/dbraw/zinc/04/03/14/669040314.db2.gz ORCWZPYLRAPFHY-WDEREUQCSA-N 1 0 347.383 -1.752 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2nccn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576862 669040477 /nfs/dbraw/zinc/04/04/77/669040477.db2.gz QGTVZSTVJHPDGD-GHMZBOCLSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2nccn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576863 669040452 /nfs/dbraw/zinc/04/04/52/669040452.db2.gz QGTVZSTVJHPDGD-MNOVXSKESA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nccn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576865 669040574 /nfs/dbraw/zinc/04/05/74/669040574.db2.gz QGTVZSTVJHPDGD-QWRGUYRKSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2nccn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576866 669040627 /nfs/dbraw/zinc/04/06/27/669040627.db2.gz QGTVZSTVJHPDGD-WDEREUQCSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576895 669040095 /nfs/dbraw/zinc/04/00/95/669040095.db2.gz QSYOHIKGAWSRCQ-GXSJLCMTSA-N 1 0 347.383 -1.715 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576896 669040644 /nfs/dbraw/zinc/04/06/44/669040644.db2.gz QSYOHIKGAWSRCQ-KOLCDFICSA-N 1 0 347.383 -1.715 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576898 669040593 /nfs/dbraw/zinc/04/05/93/669040593.db2.gz QSYOHIKGAWSRCQ-MWLCHTKSSA-N 1 0 347.383 -1.715 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576899 669040104 /nfs/dbraw/zinc/04/01/04/669040104.db2.gz QSYOHIKGAWSRCQ-ONGXEEELSA-N 1 0 347.383 -1.715 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577148 669040635 /nfs/dbraw/zinc/04/06/35/669040635.db2.gz RZTDBJRVTRLLRO-CMPLNLGQSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577150 669040251 /nfs/dbraw/zinc/04/02/51/669040251.db2.gz RZTDBJRVTRLLRO-JQWIXIFHSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577152 669040495 /nfs/dbraw/zinc/04/04/95/669040495.db2.gz RZTDBJRVTRLLRO-PWSUYJOCSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577154 669040564 /nfs/dbraw/zinc/04/05/64/669040564.db2.gz RZTDBJRVTRLLRO-ZYHUDNBSSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000987577394 669040434 /nfs/dbraw/zinc/04/04/34/669040434.db2.gz UKLYNKJGDWKDHN-NXEZZACHSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000987577403 669040230 /nfs/dbraw/zinc/04/02/30/669040230.db2.gz UKLYNKJGDWKDHN-UWVGGRQHSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000987577406 669040301 /nfs/dbraw/zinc/04/03/01/669040301.db2.gz UKLYNKJGDWKDHN-VHSXEESVSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000987577410 669040068 /nfs/dbraw/zinc/04/00/68/669040068.db2.gz UKLYNKJGDWKDHN-ZJUUUORDSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577479 669040079 /nfs/dbraw/zinc/04/00/79/669040079.db2.gz VEZFBQGTUWUDLO-CMPLNLGQSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577481 669040276 /nfs/dbraw/zinc/04/02/76/669040276.db2.gz VEZFBQGTUWUDLO-JQWIXIFHSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577482 669040485 /nfs/dbraw/zinc/04/04/85/669040485.db2.gz VEZFBQGTUWUDLO-PWSUYJOCSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577483 669040522 /nfs/dbraw/zinc/04/05/22/669040522.db2.gz VEZFBQGTUWUDLO-ZYHUDNBSSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577636 669040516 /nfs/dbraw/zinc/04/05/16/669040516.db2.gz VLAJNICPLCPNHH-CMPLNLGQSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577638 669040042 /nfs/dbraw/zinc/04/00/42/669040042.db2.gz VLAJNICPLCPNHH-JQWIXIFHSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577640 669040421 /nfs/dbraw/zinc/04/04/21/669040421.db2.gz VLAJNICPLCPNHH-PWSUYJOCSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987577642 669040351 /nfs/dbraw/zinc/04/03/51/669040351.db2.gz VLAJNICPLCPNHH-ZYHUDNBSSA-N 1 0 346.395 -1.110 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987581959 669041351 /nfs/dbraw/zinc/04/13/51/669041351.db2.gz VOAGMLATPQNQDN-NXEZZACHSA-N 1 0 349.395 -1.462 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987581960 669040976 /nfs/dbraw/zinc/04/09/76/669040976.db2.gz VOAGMLATPQNQDN-UWVGGRQHSA-N 1 0 349.395 -1.462 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987581961 669041086 /nfs/dbraw/zinc/04/10/86/669041086.db2.gz VOAGMLATPQNQDN-VHSXEESVSA-N 1 0 349.395 -1.462 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987581962 669041068 /nfs/dbraw/zinc/04/10/68/669041068.db2.gz VOAGMLATPQNQDN-ZJUUUORDSA-N 1 0 349.395 -1.462 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cn1ccnc1 ZINC000987605164 669042080 /nfs/dbraw/zinc/04/20/80/669042080.db2.gz NZQIUGZMHAEVRU-CHWSQXEVSA-N 1 0 348.407 -1.580 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cn1ccnc1 ZINC000987605165 669042010 /nfs/dbraw/zinc/04/20/10/669042010.db2.gz NZQIUGZMHAEVRU-OLZOCXBDSA-N 1 0 348.407 -1.580 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cn1ccnc1 ZINC000987605166 669041760 /nfs/dbraw/zinc/04/17/60/669041760.db2.gz NZQIUGZMHAEVRU-QWHCGFSZSA-N 1 0 348.407 -1.580 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cn1ccnc1 ZINC000987605168 669041794 /nfs/dbraw/zinc/04/17/94/669041794.db2.gz NZQIUGZMHAEVRU-STQMWFEESA-N 1 0 348.407 -1.580 20 0 EAADRO C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCc1cn(C)nn1 ZINC000987611043 669041707 /nfs/dbraw/zinc/04/17/07/669041707.db2.gz CDYXEAJMGRLCAH-CMPLNLGQSA-N 1 0 348.411 -1.051 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCc1cn(C)nn1 ZINC000987611045 669041975 /nfs/dbraw/zinc/04/19/75/669041975.db2.gz CDYXEAJMGRLCAH-JQWIXIFHSA-N 1 0 348.411 -1.051 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCc1cn(C)nn1 ZINC000987611046 669042039 /nfs/dbraw/zinc/04/20/39/669042039.db2.gz CDYXEAJMGRLCAH-PWSUYJOCSA-N 1 0 348.411 -1.051 20 0 EAADRO C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCc1cn(C)nn1 ZINC000987611048 669041644 /nfs/dbraw/zinc/04/16/44/669041644.db2.gz CDYXEAJMGRLCAH-ZYHUDNBSSA-N 1 0 348.411 -1.051 20 0 EAADRO Cc1nc[nH]c1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000987623757 669042562 /nfs/dbraw/zinc/04/25/62/669042562.db2.gz DMUQLHMCXJJYDH-NEPJUHHUSA-N 1 0 348.407 -1.131 20 0 EAADRO Cc1nc[nH]c1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000987623762 669042501 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WVGAGGNLNJRCEO-NXEZZACHSA-N 1 0 336.352 -1.779 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1cnon1 ZINC000989581008 669176864 /nfs/dbraw/zinc/17/68/64/669176864.db2.gz WVGAGGNLNJRCEO-UWVGGRQHSA-N 1 0 336.352 -1.779 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1cnon1 ZINC000989581009 669177091 /nfs/dbraw/zinc/17/70/91/669177091.db2.gz WVGAGGNLNJRCEO-VHSXEESVSA-N 1 0 336.352 -1.779 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1cnon1 ZINC000989581010 669176773 /nfs/dbraw/zinc/17/67/73/669176773.db2.gz WVGAGGNLNJRCEO-ZJUUUORDSA-N 1 0 336.352 -1.779 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CN1C(=O)c1cnon1 ZINC000989581163 669177052 /nfs/dbraw/zinc/17/70/52/669177052.db2.gz YVPDZZRXHVNDDQ-NXEZZACHSA-N 1 0 348.363 -1.140 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CN1C(=O)c1cnon1 ZINC000989581164 669177048 /nfs/dbraw/zinc/17/70/48/669177048.db2.gz YVPDZZRXHVNDDQ-UWVGGRQHSA-N 1 0 348.363 -1.140 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CN1C(=O)c1cnon1 ZINC000989581165 669176874 /nfs/dbraw/zinc/17/68/74/669176874.db2.gz YVPDZZRXHVNDDQ-VHSXEESVSA-N 1 0 348.363 -1.140 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CN1C(=O)c1cnon1 ZINC000989581166 669177000 /nfs/dbraw/zinc/17/70/00/669177000.db2.gz YVPDZZRXHVNDDQ-ZJUUUORDSA-N 1 0 348.363 -1.140 20 0 EAADRO Cc1nn(CC(=O)N2CCC[N@H+](CCn3cncn3)CC2)c(=O)n1C ZINC000989586376 669176923 /nfs/dbraw/zinc/17/69/23/669176923.db2.gz OCWSRTQUIZMENC-UHFFFAOYSA-N 1 0 348.411 -1.284 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1ncccn1 ZINC000989587602 669176974 /nfs/dbraw/zinc/17/69/74/669176974.db2.gz CABVBCUUJQIQSY-NEPJUHHUSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1ncccn1 ZINC000989587604 669176917 /nfs/dbraw/zinc/17/69/17/669176917.db2.gz CABVBCUUJQIQSY-NWDGAFQWSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1ncccn1 ZINC000989587606 669176957 /nfs/dbraw/zinc/17/69/57/669176957.db2.gz CABVBCUUJQIQSY-RYUDHWBXSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1ncccn1 ZINC000989587607 669176821 /nfs/dbraw/zinc/17/68/21/669176821.db2.gz CABVBCUUJQIQSY-VXGBXAGGSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000989589771 669177035 /nfs/dbraw/zinc/17/70/35/669177035.db2.gz MFEKXPIDEGLSLP-FPIUXFGTSA-N 1 0 336.392 -1.560 20 0 EAADRO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000989589772 669176952 /nfs/dbraw/zinc/17/69/52/669176952.db2.gz MFEKXPIDEGLSLP-WWXISFEFSA-N 1 0 336.392 -1.560 20 0 EAADRO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000989593325 669178114 /nfs/dbraw/zinc/17/81/14/669178114.db2.gz NWRDHWCASMYTME-PWSUYJOCSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1cccnn1 ZINC000989594196 669178165 /nfs/dbraw/zinc/17/81/65/669178165.db2.gz QJFXLPMSUCTPGD-NEPJUHHUSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1cccnn1 ZINC000989594197 669178327 /nfs/dbraw/zinc/17/83/27/669178327.db2.gz QJFXLPMSUCTPGD-NWDGAFQWSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1cccnn1 ZINC000989594198 669178198 /nfs/dbraw/zinc/17/81/98/669178198.db2.gz QJFXLPMSUCTPGD-RYUDHWBXSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)c1cccnn1 ZINC000989594199 669178465 /nfs/dbraw/zinc/17/84/65/669178465.db2.gz QJFXLPMSUCTPGD-VXGBXAGGSA-N 1 0 346.391 -1.372 20 0 EAADRO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000989596610 669177720 /nfs/dbraw/zinc/17/77/20/669177720.db2.gz IDPHHTJNWJIAPO-PWSUYJOCSA-N 1 0 336.396 -1.351 20 0 EAADRO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000989597656 669177604 /nfs/dbraw/zinc/17/76/04/669177604.db2.gz VRBYYPGCKNDJKL-MNOVXSKESA-N 1 0 336.396 -1.351 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CCn1cnnn1 ZINC000989599414 669178543 /nfs/dbraw/zinc/17/85/43/669178543.db2.gz ARQGVGHVBREZHJ-NEPJUHHUSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CCn1cnnn1 ZINC000989599415 669178236 /nfs/dbraw/zinc/17/82/36/669178236.db2.gz ARQGVGHVBREZHJ-NWDGAFQWSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CCn1cnnn1 ZINC000989599416 669178961 /nfs/dbraw/zinc/17/89/61/669178961.db2.gz ARQGVGHVBREZHJ-RYUDHWBXSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CCn1cnnn1 ZINC000989599417 669178873 /nfs/dbraw/zinc/17/88/73/669178873.db2.gz ARQGVGHVBREZHJ-VXGBXAGGSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)CCn1cnnn1 ZINC000989605062 669178996 /nfs/dbraw/zinc/17/89/96/669178996.db2.gz HWBCMNDWSMXQAN-NEPJUHHUSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)CCn1cnnn1 ZINC000989605063 669179461 /nfs/dbraw/zinc/17/94/61/669179461.db2.gz HWBCMNDWSMXQAN-NWDGAFQWSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)CCn1cnnn1 ZINC000989605064 669179336 /nfs/dbraw/zinc/17/93/36/669179336.db2.gz HWBCMNDWSMXQAN-RYUDHWBXSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)CCn1cnnn1 ZINC000989605065 669179432 /nfs/dbraw/zinc/17/94/32/669179432.db2.gz HWBCMNDWSMXQAN-VXGBXAGGSA-N 1 0 349.395 -1.209 20 0 EAADRO Cn1nc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)ccc1=O ZINC000989612333 669179320 /nfs/dbraw/zinc/17/93/20/669179320.db2.gz OHLBQOCBAXQDAW-UHFFFAOYSA-N 1 0 348.407 -1.047 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1ncc[nH]1 ZINC000989613247 669179180 /nfs/dbraw/zinc/17/91/80/669179180.db2.gz RAZXXXOMNSRHAW-NEPJUHHUSA-N 1 0 348.407 -1.510 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1ncc[nH]1 ZINC000989613248 669179341 /nfs/dbraw/zinc/17/93/41/669179341.db2.gz RAZXXXOMNSRHAW-NWDGAFQWSA-N 1 0 348.407 -1.510 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1ncc[nH]1 ZINC000989613249 669178922 /nfs/dbraw/zinc/17/89/22/669178922.db2.gz RAZXXXOMNSRHAW-RYUDHWBXSA-N 1 0 348.407 -1.510 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1ncc[nH]1 ZINC000989613250 669179437 /nfs/dbraw/zinc/17/94/37/669179437.db2.gz RAZXXXOMNSRHAW-VXGBXAGGSA-N 1 0 348.407 -1.510 20 0 EAADRO O=C(Cn1cncn1)N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000989620164 669179097 /nfs/dbraw/zinc/17/90/97/669179097.db2.gz VDHWHEQDAYOETE-UHFFFAOYSA-N 1 0 349.395 -1.246 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000989623665 669180204 /nfs/dbraw/zinc/18/02/04/669180204.db2.gz GXRNXVOJWUMONP-UHFFFAOYSA-N 1 0 334.380 -1.031 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[N@H+](CCn2cncn2)CC1 ZINC000989624106 669179873 /nfs/dbraw/zinc/17/98/73/669179873.db2.gz XJVQSBCFZMNJEF-UHFFFAOYSA-N 1 0 335.368 -1.636 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@H+](CCn2cncn2)CC1 ZINC000989625393 669179918 /nfs/dbraw/zinc/17/99/18/669179918.db2.gz HNFLCBQVFKSDMW-GFCCVEGCSA-N 1 0 349.395 -1.199 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](CCn2cncn2)CC1 ZINC000989625394 669180311 /nfs/dbraw/zinc/18/03/11/669180311.db2.gz HNFLCBQVFKSDMW-LBPRGKRZSA-N 1 0 349.395 -1.199 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC[N@H+](CCn3cncn3)CC2)C1=O ZINC000989627796 669179004 /nfs/dbraw/zinc/17/90/04/669179004.db2.gz HRINDLAGDWYVJU-UHFFFAOYSA-N 1 0 349.395 -1.294 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCC[N@H+](CCn2cncn2)CC1 ZINC000989631860 669180901 /nfs/dbraw/zinc/18/09/01/669180901.db2.gz DARLYMSTPKFYDG-UHFFFAOYSA-N 1 0 334.380 -1.039 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000989647342 669180682 /nfs/dbraw/zinc/18/06/82/669180682.db2.gz VPAHQTAUFJGQJG-BDAKNGLRSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000989647343 669180909 /nfs/dbraw/zinc/18/09/09/669180909.db2.gz VPAHQTAUFJGQJG-DTWKUNHWSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000989647344 669180889 /nfs/dbraw/zinc/18/08/89/669180889.db2.gz VPAHQTAUFJGQJG-IUCAKERBSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000989647345 669180920 /nfs/dbraw/zinc/18/09/20/669180920.db2.gz VPAHQTAUFJGQJG-RKDXNWHRSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(=O)NC1=O ZINC000989649515 669181099 /nfs/dbraw/zinc/18/10/99/669181099.db2.gz GVRXXGIOUVWJAI-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(=O)NC1=O ZINC000989649516 669180758 /nfs/dbraw/zinc/18/07/58/669180758.db2.gz GVRXXGIOUVWJAI-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(=O)NC1=O ZINC000989649517 669180943 /nfs/dbraw/zinc/18/09/43/669180943.db2.gz GVRXXGIOUVWJAI-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(=O)NC1=O ZINC000989649518 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C[C@H](C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1)n1cncn1 ZINC000991373728 669445222 /nfs/dbraw/zinc/44/52/22/669445222.db2.gz RWTALIGSLBIQAG-LLVKDONJSA-N 1 0 349.395 -1.029 20 0 EAADRO C[C@@H](C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1)n1cncn1 ZINC000991373734 669445133 /nfs/dbraw/zinc/44/51/33/669445133.db2.gz RWTALIGSLBIQAG-NSHDSACASA-N 1 0 349.395 -1.029 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000991389842 669452058 /nfs/dbraw/zinc/45/20/58/669452058.db2.gz APOIHZZIAXCZLP-AWEZNQCLSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000991389844 669452027 /nfs/dbraw/zinc/45/20/27/669452027.db2.gz APOIHZZIAXCZLP-CQSZACIVSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000991393566 669453937 /nfs/dbraw/zinc/45/39/37/669453937.db2.gz PQCWWSMSKSGGHG-CHWSQXEVSA-N 1 0 338.408 -1.297 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000991393571 669453908 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Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)nn1 ZINC000991449776 669486078 /nfs/dbraw/zinc/48/60/78/669486078.db2.gz ZSZNVCQXJQBWNC-YPMHNXCESA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)n1 ZINC000991452714 669487146 /nfs/dbraw/zinc/48/71/46/669487146.db2.gz NNCPGUSEFJYVFW-NEPJUHHUSA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)n1 ZINC000991452715 669486888 /nfs/dbraw/zinc/48/68/88/669486888.db2.gz NNCPGUSEFJYVFW-NWDGAFQWSA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)n1 ZINC000991452720 669486868 /nfs/dbraw/zinc/48/68/68/669486868.db2.gz NNCPGUSEFJYVFW-RYUDHWBXSA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)n1 ZINC000991452722 669486846 /nfs/dbraw/zinc/48/68/46/669486846.db2.gz NNCPGUSEFJYVFW-VXGBXAGGSA-N 1 0 348.407 -1.398 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991470458 669500463 /nfs/dbraw/zinc/50/04/63/669500463.db2.gz IHHQFIOWOQIMSQ-ABAIWWIYSA-N 1 0 336.396 -1.559 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991470459 669500285 /nfs/dbraw/zinc/50/02/85/669500285.db2.gz IHHQFIOWOQIMSQ-IAQYHMDHSA-N 1 0 336.396 -1.559 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991470461 669500654 /nfs/dbraw/zinc/50/06/54/669500654.db2.gz IHHQFIOWOQIMSQ-NHYWBVRUSA-N 1 0 336.396 -1.559 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991470463 669500432 /nfs/dbraw/zinc/50/04/32/669500432.db2.gz IHHQFIOWOQIMSQ-XHDPSFHLSA-N 1 0 336.396 -1.559 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC000991472278 669500571 /nfs/dbraw/zinc/50/05/71/669500571.db2.gz PCLVVZJZZJSPMX-CHWSQXEVSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC000991472285 669500201 /nfs/dbraw/zinc/50/02/01/669500201.db2.gz PCLVVZJZZJSPMX-OLZOCXBDSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC000991472287 669500651 /nfs/dbraw/zinc/50/06/51/669500651.db2.gz PCLVVZJZZJSPMX-QWHCGFSZSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC000991472288 669500581 /nfs/dbraw/zinc/50/05/81/669500581.db2.gz PCLVVZJZZJSPMX-STQMWFEESA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC000991472794 669501066 /nfs/dbraw/zinc/50/10/66/669501066.db2.gz QHZNHQSYNXIZCB-NEPJUHHUSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC000991472802 669500928 /nfs/dbraw/zinc/50/09/28/669500928.db2.gz QHZNHQSYNXIZCB-NWDGAFQWSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC000991472811 669500828 /nfs/dbraw/zinc/50/08/28/669500828.db2.gz QHZNHQSYNXIZCB-RYUDHWBXSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC000991472815 669500890 /nfs/dbraw/zinc/50/08/90/669500890.db2.gz QHZNHQSYNXIZCB-VXGBXAGGSA-N 1 0 326.397 -1.718 20 0 EAADRO COCCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000991476259 669502541 /nfs/dbraw/zinc/50/25/41/669502541.db2.gz NCKCWQCRXOZSPA-CYBMUJFWSA-N 1 0 336.396 -1.041 20 0 EAADRO COCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000991476260 669502513 /nfs/dbraw/zinc/50/25/13/669502513.db2.gz NCKCWQCRXOZSPA-ZDUSSCGKSA-N 1 0 336.396 -1.041 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991477059 669502554 /nfs/dbraw/zinc/50/25/54/669502554.db2.gz WQPMZYMHYXLBNL-HFAKWTLXSA-N 1 0 336.396 -1.431 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991477064 669502494 /nfs/dbraw/zinc/50/24/94/669502494.db2.gz WQPMZYMHYXLBNL-JRPNMDOOSA-N 1 0 336.396 -1.431 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991477067 669502416 /nfs/dbraw/zinc/50/24/16/669502416.db2.gz WQPMZYMHYXLBNL-UEKVPHQBSA-N 1 0 336.396 -1.431 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991477070 669502433 /nfs/dbraw/zinc/50/24/33/669502433.db2.gz WQPMZYMHYXLBNL-ZETOZRRWSA-N 1 0 336.396 -1.431 20 0 EAADRO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H]2CCNC2=O)CC3)c1=O ZINC000991477165 669502165 /nfs/dbraw/zinc/50/21/65/669502165.db2.gz XDRBYOIKQMLXRL-HSMVNMDESA-N 1 0 348.407 -1.417 20 0 EAADRO Cn1cnn(CC(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H]2CCNC2=O)CC3)c1=O ZINC000991477167 669502384 /nfs/dbraw/zinc/50/23/84/669502384.db2.gz XDRBYOIKQMLXRL-MKBNYLNASA-N 1 0 348.407 -1.417 20 0 EAADRO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H]2CCNC2=O)CC3)c1=O ZINC000991477169 669502547 /nfs/dbraw/zinc/50/25/47/669502547.db2.gz XDRBYOIKQMLXRL-OZVIIMIRSA-N 1 0 348.407 -1.417 20 0 EAADRO Cn1cnn(CC(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H]2CCNC2=O)CC3)c1=O ZINC000991477173 669502459 /nfs/dbraw/zinc/50/24/59/669502459.db2.gz 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O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC000991478902 669502997 /nfs/dbraw/zinc/50/29/97/669502997.db2.gz BRDCTYYUMPFENC-NEPJUHHUSA-N 1 0 336.396 -1.479 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC000991478908 669503146 /nfs/dbraw/zinc/50/31/46/669503146.db2.gz BRDCTYYUMPFENC-NWDGAFQWSA-N 1 0 336.396 -1.479 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC000991478910 669502758 /nfs/dbraw/zinc/50/27/58/669502758.db2.gz BRDCTYYUMPFENC-RYUDHWBXSA-N 1 0 336.396 -1.479 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC000991478913 669503175 /nfs/dbraw/zinc/50/31/75/669503175.db2.gz BRDCTYYUMPFENC-VXGBXAGGSA-N 1 0 336.396 -1.479 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC000991479552 669503238 /nfs/dbraw/zinc/50/32/38/669503238.db2.gz DBHCRTJGMZPOGD-AAEUAGOBSA-N 1 0 349.391 -1.443 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O ZINC000991479558 669503043 /nfs/dbraw/zinc/50/30/43/669503043.db2.gz DBHCRTJGMZPOGD-DGCLKSJQSA-N 1 0 349.391 -1.443 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O ZINC000991479559 669502815 /nfs/dbraw/zinc/50/28/15/669502815.db2.gz DBHCRTJGMZPOGD-WCQYABFASA-N 1 0 349.391 -1.443 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC000991479564 669503071 /nfs/dbraw/zinc/50/30/71/669503071.db2.gz DBHCRTJGMZPOGD-YPMHNXCESA-N 1 0 349.391 -1.443 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC000991480442 669503952 /nfs/dbraw/zinc/50/39/52/669503952.db2.gz GWQGFLSKUROFBK-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1O ZINC000991480447 669503882 /nfs/dbraw/zinc/50/38/82/669503882.db2.gz GWQGFLSKUROFBK-NWDGAFQWSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC000991480451 669504388 /nfs/dbraw/zinc/50/43/88/669504388.db2.gz GWQGFLSKUROFBK-RYUDHWBXSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1O ZINC000991480458 669504056 /nfs/dbraw/zinc/50/40/56/669504056.db2.gz GWQGFLSKUROFBK-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC000991481145 669503538 /nfs/dbraw/zinc/50/35/38/669503538.db2.gz IITZKXGHMRZGPF-GHMZBOCLSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000991481148 669503639 /nfs/dbraw/zinc/50/36/39/669503639.db2.gz IITZKXGHMRZGPF-MNOVXSKESA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000991481150 669503584 /nfs/dbraw/zinc/50/35/84/669503584.db2.gz IITZKXGHMRZGPF-QWRGUYRKSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC000991481153 669503659 /nfs/dbraw/zinc/50/36/59/669503659.db2.gz IITZKXGHMRZGPF-WDEREUQCSA-N 1 0 337.384 -2.003 20 0 EAADRO COCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000991482046 669504328 /nfs/dbraw/zinc/50/43/28/669504328.db2.gz DCNBTKFTSUOZKC-LLVKDONJSA-N 1 0 336.396 -1.183 20 0 EAADRO COCCn1cc(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000991482048 669504117 /nfs/dbraw/zinc/50/41/17/669504117.db2.gz DCNBTKFTSUOZKC-NSHDSACASA-N 1 0 336.396 -1.183 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991484029 669504817 /nfs/dbraw/zinc/50/48/17/669504817.db2.gz MVBMUKGGWHAIRJ-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991484033 669504777 /nfs/dbraw/zinc/50/47/77/669504777.db2.gz MVBMUKGGWHAIRJ-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991484052 669504802 /nfs/dbraw/zinc/50/48/02/669504802.db2.gz MVBMUKGGWHAIRJ-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991484054 669504678 /nfs/dbraw/zinc/50/46/78/669504678.db2.gz MVBMUKGGWHAIRJ-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O ZINC000991485007 669505656 /nfs/dbraw/zinc/50/56/56/669505656.db2.gz NUVIYHGGMWFNHS-CHWSQXEVSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O ZINC000991485011 669505659 /nfs/dbraw/zinc/50/56/59/669505659.db2.gz NUVIYHGGMWFNHS-OLZOCXBDSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O ZINC000991485015 669505528 /nfs/dbraw/zinc/50/55/28/669505528.db2.gz NUVIYHGGMWFNHS-QWHCGFSZSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O ZINC000991485019 669505665 /nfs/dbraw/zinc/50/56/65/669505665.db2.gz NUVIYHGGMWFNHS-STQMWFEESA-N 1 0 349.391 -1.030 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC1 ZINC000991485140 669505622 /nfs/dbraw/zinc/50/56/22/669505622.db2.gz OHZXQEUFEMOHFR-NEPJUHHUSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)CC1 ZINC000991485142 669505647 /nfs/dbraw/zinc/50/56/47/669505647.db2.gz OHZXQEUFEMOHFR-NWDGAFQWSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC1 ZINC000991485144 669505590 /nfs/dbraw/zinc/50/55/90/669505590.db2.gz OHZXQEUFEMOHFR-RYUDHWBXSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)CC1 ZINC000991485146 669505559 /nfs/dbraw/zinc/50/55/59/669505559.db2.gz OHZXQEUFEMOHFR-VXGBXAGGSA-N 1 0 338.408 -1.574 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991485498 669504835 /nfs/dbraw/zinc/50/48/35/669504835.db2.gz OQOJCSXERDSJIZ-NEPJUHHUSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991485503 669505569 /nfs/dbraw/zinc/50/55/69/669505569.db2.gz OQOJCSXERDSJIZ-NWDGAFQWSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991485506 669505607 /nfs/dbraw/zinc/50/56/07/669505607.db2.gz OQOJCSXERDSJIZ-RYUDHWBXSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991485511 669505418 /nfs/dbraw/zinc/50/54/18/669505418.db2.gz OQOJCSXERDSJIZ-VXGBXAGGSA-N 1 0 336.396 -1.099 20 0 EAADRO COCCn1cc(C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC000991486367 669506000 /nfs/dbraw/zinc/50/60/00/669506000.db2.gz PBSYGBJJWNWRHH-UHFFFAOYSA-N 1 0 336.396 -1.039 20 0 EAADRO CC(C)(C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCCC1 ZINC000991486429 669505977 /nfs/dbraw/zinc/50/59/77/669505977.db2.gz BVLKERDIVWRGPB-NEPJUHHUSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)(C(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCCC1 ZINC000991486443 669506112 /nfs/dbraw/zinc/50/61/12/669506112.db2.gz BVLKERDIVWRGPB-NWDGAFQWSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)(C(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCCC1 ZINC000991486444 669506262 /nfs/dbraw/zinc/50/62/62/669506262.db2.gz BVLKERDIVWRGPB-RYUDHWBXSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)(C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCCC1 ZINC000991486447 669506218 /nfs/dbraw/zinc/50/62/18/669506218.db2.gz BVLKERDIVWRGPB-VXGBXAGGSA-N 1 0 340.424 -1.186 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000991487156 669506927 /nfs/dbraw/zinc/50/69/27/669506927.db2.gz DDQGLDQVPFXIIV-UHFFFAOYSA-N 1 0 337.384 -1.411 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CN2CN=NC2=O)CC1)c1nnnn1C ZINC000991487190 669506600 /nfs/dbraw/zinc/50/66/00/669506600.db2.gz DDXUQPFUKVBAIO-SECBINFHSA-N 1 0 335.372 -1.151 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CN2CN=NC2=O)CC1)c1nnnn1C ZINC000991487209 669506892 /nfs/dbraw/zinc/50/68/92/669506892.db2.gz DDXUQPFUKVBAIO-VIFPVBQESA-N 1 0 335.372 -1.151 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CCN(C(=O)CN3CN=NC3=O)CC2)nc1=O ZINC000991488534 669507962 /nfs/dbraw/zinc/50/79/62/669507962.db2.gz LGICCQVOODUJPS-UHFFFAOYSA-N 1 0 336.356 -1.814 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000991489465 669508500 /nfs/dbraw/zinc/50/85/00/669508500.db2.gz QHLDTPBIPIYLLG-JTQLQIEISA-N 1 0 336.352 -1.631 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000991489468 669508552 /nfs/dbraw/zinc/50/85/52/669508552.db2.gz QHLDTPBIPIYLLG-SNVBAGLBSA-N 1 0 336.352 -1.631 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1O ZINC000991489691 669508645 /nfs/dbraw/zinc/50/86/45/669508645.db2.gz WLIGXICSFYAKSO-CHWSQXEVSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1O ZINC000991489701 669508623 /nfs/dbraw/zinc/50/86/23/669508623.db2.gz WLIGXICSFYAKSO-OLZOCXBDSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1O ZINC000991489707 669508580 /nfs/dbraw/zinc/50/85/80/669508580.db2.gz WLIGXICSFYAKSO-QWHCGFSZSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1O ZINC000991489715 669508603 /nfs/dbraw/zinc/50/86/03/669508603.db2.gz WLIGXICSFYAKSO-STQMWFEESA-N 1 0 336.396 -1.548 20 0 EAADRO Cn1ncc(C(=O)N2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)c1N ZINC000991490774 669509044 /nfs/dbraw/zinc/50/90/44/669509044.db2.gz XGDBZVFBTDQJMS-UHFFFAOYSA-N 1 0 349.395 -1.252 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC000991491305 669511153 /nfs/dbraw/zinc/51/11/53/669511153.db2.gz YEGAYWFKZAJFNP-CHWSQXEVSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC000991491316 669510978 /nfs/dbraw/zinc/51/09/78/669510978.db2.gz YEGAYWFKZAJFNP-OLZOCXBDSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC000991491318 669510984 /nfs/dbraw/zinc/51/09/84/669510984.db2.gz YEGAYWFKZAJFNP-QWHCGFSZSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC000991491321 669510877 /nfs/dbraw/zinc/51/08/77/669510877.db2.gz YEGAYWFKZAJFNP-STQMWFEESA-N 1 0 349.391 -1.030 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000991492113 669510279 /nfs/dbraw/zinc/51/02/79/669510279.db2.gz ZQMPCUMZJXVHDY-AAEUAGOBSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC000991492115 669510556 /nfs/dbraw/zinc/51/05/56/669510556.db2.gz ZQMPCUMZJXVHDY-DGCLKSJQSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC000991492116 669510431 /nfs/dbraw/zinc/51/04/31/669510431.db2.gz ZQMPCUMZJXVHDY-WCQYABFASA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000991492117 669510385 /nfs/dbraw/zinc/51/03/85/669510385.db2.gz ZQMPCUMZJXVHDY-YPMHNXCESA-N 1 0 336.396 -1.398 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991492255 669510511 /nfs/dbraw/zinc/51/05/11/669510511.db2.gz BIUXRDIMVLVHNU-NEPJUHHUSA-N 1 0 347.437 -1.795 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991492256 669510540 /nfs/dbraw/zinc/51/05/40/669510540.db2.gz BIUXRDIMVLVHNU-NWDGAFQWSA-N 1 0 347.437 -1.795 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991492257 669510474 /nfs/dbraw/zinc/51/04/74/669510474.db2.gz BIUXRDIMVLVHNU-RYUDHWBXSA-N 1 0 347.437 -1.795 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991492258 669510402 /nfs/dbraw/zinc/51/04/02/669510402.db2.gz BIUXRDIMVLVHNU-VXGBXAGGSA-N 1 0 347.437 -1.795 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000991493411 669511702 /nfs/dbraw/zinc/51/17/02/669511702.db2.gz QRKLTODOVLWMDV-NEPJUHHUSA-N 1 0 349.395 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC000991493416 669511682 /nfs/dbraw/zinc/51/16/82/669511682.db2.gz QRKLTODOVLWMDV-NWDGAFQWSA-N 1 0 349.395 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000991493419 669511709 /nfs/dbraw/zinc/51/17/09/669511709.db2.gz QRKLTODOVLWMDV-RYUDHWBXSA-N 1 0 349.395 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC000991493420 669511641 /nfs/dbraw/zinc/51/16/41/669511641.db2.gz QRKLTODOVLWMDV-VXGBXAGGSA-N 1 0 349.395 -2.153 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC000991495231 669514128 /nfs/dbraw/zinc/51/41/28/669514128.db2.gz AGOHKAISTYWCDB-CHWSQXEVSA-N 1 0 348.407 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000991495235 669514169 /nfs/dbraw/zinc/51/41/69/669514169.db2.gz AGOHKAISTYWCDB-OLZOCXBDSA-N 1 0 348.407 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC000991495238 669514137 /nfs/dbraw/zinc/51/41/37/669514137.db2.gz AGOHKAISTYWCDB-QWHCGFSZSA-N 1 0 348.407 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000991495241 669514191 /nfs/dbraw/zinc/51/41/91/669514191.db2.gz AGOHKAISTYWCDB-STQMWFEESA-N 1 0 348.407 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC000991497636 669516445 /nfs/dbraw/zinc/51/64/45/669516445.db2.gz GYBSLYANUGFUHV-CHWSQXEVSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000991497637 669516364 /nfs/dbraw/zinc/51/63/64/669516364.db2.gz GYBSLYANUGFUHV-OLZOCXBDSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC000991497639 669516413 /nfs/dbraw/zinc/51/64/13/669516413.db2.gz GYBSLYANUGFUHV-QWHCGFSZSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000991497644 669516540 /nfs/dbraw/zinc/51/65/40/669516540.db2.gz GYBSLYANUGFUHV-STQMWFEESA-N 1 0 336.396 -1.548 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000991498382 669517040 /nfs/dbraw/zinc/51/70/40/669517040.db2.gz CNOKSVJJMVKFGN-NEPJUHHUSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC000991498383 669517077 /nfs/dbraw/zinc/51/70/77/669517077.db2.gz CNOKSVJJMVKFGN-NWDGAFQWSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC000991498385 669516929 /nfs/dbraw/zinc/51/69/29/669516929.db2.gz CNOKSVJJMVKFGN-RYUDHWBXSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC000991498388 669516993 /nfs/dbraw/zinc/51/69/93/669516993.db2.gz CNOKSVJJMVKFGN-VXGBXAGGSA-N 1 0 336.396 -1.398 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000991499418 669518383 /nfs/dbraw/zinc/51/83/83/669518383.db2.gz GLWPGQOQCVUNLL-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC000991499421 669518142 /nfs/dbraw/zinc/51/81/42/669518142.db2.gz GLWPGQOQCVUNLL-NWDGAFQWSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000991499422 669518375 /nfs/dbraw/zinc/51/83/75/669518375.db2.gz GLWPGQOQCVUNLL-RYUDHWBXSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC000991499425 669518214 /nfs/dbraw/zinc/51/82/14/669518214.db2.gz GLWPGQOQCVUNLL-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)nn1 ZINC000991501079 669519535 /nfs/dbraw/zinc/51/95/35/669519535.db2.gz HAWQCDVFRKCABG-AAEUAGOBSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)nn1 ZINC000991501082 669519443 /nfs/dbraw/zinc/51/94/43/669519443.db2.gz HAWQCDVFRKCABG-DGCLKSJQSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)nn1 ZINC000991501083 669519451 /nfs/dbraw/zinc/51/94/51/669519451.db2.gz HAWQCDVFRKCABG-WCQYABFASA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)nn1 ZINC000991501084 669519409 /nfs/dbraw/zinc/51/94/09/669519409.db2.gz HAWQCDVFRKCABG-YPMHNXCESA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991501720 669519906 /nfs/dbraw/zinc/51/99/06/669519906.db2.gz IONVUMIFQGBVIW-AAEUAGOBSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991501722 669519853 /nfs/dbraw/zinc/51/98/53/669519853.db2.gz IONVUMIFQGBVIW-DGCLKSJQSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991501724 669520184 /nfs/dbraw/zinc/52/01/84/669520184.db2.gz IONVUMIFQGBVIW-WCQYABFASA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991501726 669520275 /nfs/dbraw/zinc/52/02/75/669520275.db2.gz IONVUMIFQGBVIW-YPMHNXCESA-N 1 0 336.396 -1.398 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC000991504124 669523188 /nfs/dbraw/zinc/52/31/88/669523188.db2.gz ODPBUUFLKZTFNH-AAEUAGOBSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O ZINC000991504132 669523442 /nfs/dbraw/zinc/52/34/42/669523442.db2.gz ODPBUUFLKZTFNH-DGCLKSJQSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O ZINC000991504136 669523224 /nfs/dbraw/zinc/52/32/24/669523224.db2.gz ODPBUUFLKZTFNH-WCQYABFASA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC000991504138 669523311 /nfs/dbraw/zinc/52/33/11/669523311.db2.gz ODPBUUFLKZTFNH-YPMHNXCESA-N 1 0 349.391 -1.030 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991509255 669529630 /nfs/dbraw/zinc/52/96/30/669529630.db2.gz VCXUQXUZUPUWMX-NEPJUHHUSA-N 1 0 348.407 -1.154 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991509263 669529519 /nfs/dbraw/zinc/52/95/19/669529519.db2.gz VCXUQXUZUPUWMX-NWDGAFQWSA-N 1 0 348.407 -1.154 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000991509295 669529443 /nfs/dbraw/zinc/52/94/43/669529443.db2.gz VCXUQXUZUPUWMX-RYUDHWBXSA-N 1 0 348.407 -1.154 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC000991509298 669529379 /nfs/dbraw/zinc/52/93/79/669529379.db2.gz VCXUQXUZUPUWMX-VXGBXAGGSA-N 1 0 348.407 -1.154 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC000991511543 669531029 /nfs/dbraw/zinc/53/10/29/669531029.db2.gz YPLLNCFQODIBMO-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1O ZINC000991511544 669530902 /nfs/dbraw/zinc/53/09/02/669530902.db2.gz YPLLNCFQODIBMO-NWDGAFQWSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC000991511545 669531005 /nfs/dbraw/zinc/53/10/05/669531005.db2.gz YPLLNCFQODIBMO-RYUDHWBXSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1O ZINC000991511546 669531040 /nfs/dbraw/zinc/53/10/40/669531040.db2.gz YPLLNCFQODIBMO-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)c2cncnc2)CC1)N1CCNC(=O)C1 ZINC000991512162 669529694 /nfs/dbraw/zinc/52/96/94/669529694.db2.gz JJYAPFCFOPDVSB-UHFFFAOYSA-N 1 0 346.391 -1.371 20 0 EAADRO O=C(Cn1ncnn1)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991521788 669533413 /nfs/dbraw/zinc/53/34/13/669533413.db2.gz AUTRHPCASDYOFT-AAEUAGOBSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1ncnn1)N1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000991521795 669533324 /nfs/dbraw/zinc/53/33/24/669533324.db2.gz AUTRHPCASDYOFT-DGCLKSJQSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1ncnn1)N1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000991521803 669533426 /nfs/dbraw/zinc/53/34/26/669533426.db2.gz AUTRHPCASDYOFT-WCQYABFASA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1ncnn1)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991521814 669533384 /nfs/dbraw/zinc/53/33/84/669533384.db2.gz AUTRHPCASDYOFT-YPMHNXCESA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991525466 669534052 /nfs/dbraw/zinc/53/40/52/669534052.db2.gz LTHTVQQUPJOLFW-AAEUAGOBSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000991525471 669534104 /nfs/dbraw/zinc/53/41/04/669534104.db2.gz LTHTVQQUPJOLFW-DGCLKSJQSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000991525475 669533988 /nfs/dbraw/zinc/53/39/88/669533988.db2.gz LTHTVQQUPJOLFW-WCQYABFASA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991525477 669534822 /nfs/dbraw/zinc/53/48/22/669534822.db2.gz LTHTVQQUPJOLFW-YPMHNXCESA-N 1 0 333.396 -1.126 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)c1 ZINC000991528232 669535372 /nfs/dbraw/zinc/53/53/72/669535372.db2.gz DBAWXZLWDJUMNG-KBPBESRZSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)c1 ZINC000991528239 669535492 /nfs/dbraw/zinc/53/54/92/669535492.db2.gz DBAWXZLWDJUMNG-KGLIPLIRSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2O)c1 ZINC000991528242 669535393 /nfs/dbraw/zinc/53/53/93/669535393.db2.gz DBAWXZLWDJUMNG-UONOGXRCSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2O)c1 ZINC000991528244 669535333 /nfs/dbraw/zinc/53/53/33/669535333.db2.gz DBAWXZLWDJUMNG-ZIAGYGMSSA-N 1 0 348.403 -1.075 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000991540664 669540498 /nfs/dbraw/zinc/54/04/98/669540498.db2.gz SDYAYJVSHDNRSE-CHWSQXEVSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC000991540666 669540309 /nfs/dbraw/zinc/54/03/09/669540309.db2.gz SDYAYJVSHDNRSE-OLZOCXBDSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000991540667 669540348 /nfs/dbraw/zinc/54/03/48/669540348.db2.gz SDYAYJVSHDNRSE-QWHCGFSZSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC000991540669 669540376 /nfs/dbraw/zinc/54/03/76/669540376.db2.gz SDYAYJVSHDNRSE-STQMWFEESA-N 1 0 349.391 -1.030 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC000991542872 669540983 /nfs/dbraw/zinc/54/09/83/669540983.db2.gz LAVVOQUEBOURBM-KBPBESRZSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC000991542876 669540996 /nfs/dbraw/zinc/54/09/96/669540996.db2.gz LAVVOQUEBOURBM-KGLIPLIRSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC000991542878 669541006 /nfs/dbraw/zinc/54/10/06/669541006.db2.gz LAVVOQUEBOURBM-UONOGXRCSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC000991542881 669540878 /nfs/dbraw/zinc/54/08/78/669540878.db2.gz LAVVOQUEBOURBM-ZIAGYGMSSA-N 1 0 348.403 -1.075 20 0 EAADRO Cn1ncc(C(=O)N2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)c1N ZINC000991547825 669543028 /nfs/dbraw/zinc/54/30/28/669543028.db2.gz MGQWLAIJPWQERZ-UHFFFAOYSA-N 1 0 334.384 -1.182 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CCC1 ZINC000991555400 669547481 /nfs/dbraw/zinc/54/74/81/669547481.db2.gz CSFLBBURCNAQEH-JTQLQIEISA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991555421 669547280 /nfs/dbraw/zinc/54/72/80/669547280.db2.gz CVDYRQQINWILST-KOLCDFICSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991555426 669547549 /nfs/dbraw/zinc/54/75/49/669547549.db2.gz CVDYRQQINWILST-ONGXEEELSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC[N@@H+]1C ZINC000991555429 669547334 /nfs/dbraw/zinc/54/73/34/669547334.db2.gz CWHDIQMUUBYOKK-IEBDPFPHSA-N 1 0 337.380 -1.748 20 0 EAADRO O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000991556992 669548195 /nfs/dbraw/zinc/54/81/95/669548195.db2.gz CAODSUUBEIXWRQ-JTQLQIEISA-N 1 0 335.364 -1.993 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC000991557043 669548228 /nfs/dbraw/zinc/54/82/28/669548228.db2.gz GZJHLJFEVBYLGZ-NEPJUHHUSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000991557051 669548030 /nfs/dbraw/zinc/54/80/30/669548030.db2.gz GZJHLJFEVBYLGZ-NWDGAFQWSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC000991557055 669548084 /nfs/dbraw/zinc/54/80/84/669548084.db2.gz GZJHLJFEVBYLGZ-RYUDHWBXSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000991557066 669548009 /nfs/dbraw/zinc/54/80/09/669548009.db2.gz GZJHLJFEVBYLGZ-VXGBXAGGSA-N 1 0 338.408 -1.574 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C1CC1 ZINC000991557179 669547917 /nfs/dbraw/zinc/54/79/17/669547917.db2.gz MNUKEYZQAOXGCG-CMPLNLGQSA-N 1 0 337.380 -1.748 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C1CC1 ZINC000991557183 669548067 /nfs/dbraw/zinc/54/80/67/669548067.db2.gz MNUKEYZQAOXGCG-JQWIXIFHSA-N 1 0 337.380 -1.748 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000991557280 669548603 /nfs/dbraw/zinc/54/86/03/669548603.db2.gz MXYUVVMDIWMDRX-KOLCDFICSA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000991557290 669548423 /nfs/dbraw/zinc/54/84/23/669548423.db2.gz MXYUVVMDIWMDRX-ONGXEEELSA-N 1 0 337.380 -1.604 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000991558190 669549106 /nfs/dbraw/zinc/54/91/06/669549106.db2.gz RDARECRBZQSTSV-QWRGUYRKSA-N 1 0 337.380 -1.604 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000991558192 669549143 /nfs/dbraw/zinc/54/91/43/669549143.db2.gz RDARECRBZQSTSV-WDEREUQCSA-N 1 0 337.380 -1.604 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)[NH+](C)C ZINC000991558952 669550466 /nfs/dbraw/zinc/55/04/66/669550466.db2.gz UXJFTAPMVBAIBB-CMPLNLGQSA-N 1 0 339.396 -1.502 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)[NH+](C)C ZINC000991558954 669550406 /nfs/dbraw/zinc/55/04/06/669550406.db2.gz UXJFTAPMVBAIBB-JQWIXIFHSA-N 1 0 339.396 -1.502 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000991558956 669550636 /nfs/dbraw/zinc/55/06/36/669550636.db2.gz UZXIQWYIMXQPBB-NSHDSACASA-N 1 0 337.380 -1.747 20 0 EAADRO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)[NH+](C)C ZINC000991558999 669550476 /nfs/dbraw/zinc/55/04/76/669550476.db2.gz VSNVYMYDYNSDOW-UWVGGRQHSA-N 1 0 325.369 -1.748 20 0 EAADRO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)[NH+](C)C ZINC000991559001 669550535 /nfs/dbraw/zinc/55/05/35/669550535.db2.gz VSNVYMYDYNSDOW-VHSXEESVSA-N 1 0 325.369 -1.748 20 0 EAADRO O=C(NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000991559976 669551292 /nfs/dbraw/zinc/55/12/92/669551292.db2.gz YIWZQCULKDLARA-NEPJUHHUSA-N 1 0 349.391 -1.747 20 0 EAADRO O=C(NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000991559983 669550979 /nfs/dbraw/zinc/55/09/79/669550979.db2.gz YIWZQCULKDLARA-RYUDHWBXSA-N 1 0 349.391 -1.747 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]2O)CC1 ZINC000991560374 669552513 /nfs/dbraw/zinc/55/25/13/669552513.db2.gz LRANBFPHJHWCAD-AAEUAGOBSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]2O)CC1 ZINC000991560376 669552570 /nfs/dbraw/zinc/55/25/70/669552570.db2.gz LRANBFPHJHWCAD-DGCLKSJQSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]2O)CC1 ZINC000991560379 669552576 /nfs/dbraw/zinc/55/25/76/669552576.db2.gz LRANBFPHJHWCAD-WCQYABFASA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]2O)CC1 ZINC000991560381 669552456 /nfs/dbraw/zinc/55/24/56/669552456.db2.gz LRANBFPHJHWCAD-YPMHNXCESA-N 1 0 336.396 -1.162 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991561359 669552496 /nfs/dbraw/zinc/55/24/96/669552496.db2.gz JIUMOBTTXSTRNU-KOLCDFICSA-N 1 0 337.380 -1.747 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991561365 669552420 /nfs/dbraw/zinc/55/24/20/669552420.db2.gz JIUMOBTTXSTRNU-ONGXEEELSA-N 1 0 337.380 -1.747 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000991562660 669553935 /nfs/dbraw/zinc/55/39/35/669553935.db2.gz ZWJAYXDPMWXHHD-CHWSQXEVSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000991562663 669553896 /nfs/dbraw/zinc/55/38/96/669553896.db2.gz ZWJAYXDPMWXHHD-OLZOCXBDSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000991562667 669553765 /nfs/dbraw/zinc/55/37/65/669553765.db2.gz ZWJAYXDPMWXHHD-QWHCGFSZSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000991562670 669553857 /nfs/dbraw/zinc/55/38/57/669553857.db2.gz ZWJAYXDPMWXHHD-STQMWFEESA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(NC1CN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000991567931 669558065 /nfs/dbraw/zinc/55/80/65/669558065.db2.gz XQJNFIOIOGYPSS-NSHDSACASA-N 1 0 349.391 -1.460 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]2O)CC1 ZINC000991576167 669563947 /nfs/dbraw/zinc/56/39/47/669563947.db2.gz SQKLCENAHKHSBU-NEPJUHHUSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2O)CC1 ZINC000991576169 669563725 /nfs/dbraw/zinc/56/37/25/669563725.db2.gz SQKLCENAHKHSBU-NWDGAFQWSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]2O)CC1 ZINC000991576171 669563711 /nfs/dbraw/zinc/56/37/11/669563711.db2.gz SQKLCENAHKHSBU-RYUDHWBXSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2O)CC1 ZINC000991576173 669564007 /nfs/dbraw/zinc/56/40/07/669564007.db2.gz SQKLCENAHKHSBU-VXGBXAGGSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC000991578787 669565523 /nfs/dbraw/zinc/56/55/23/669565523.db2.gz ZCNDPFPSQXYOKG-NEPJUHHUSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC000991578788 669565695 /nfs/dbraw/zinc/56/56/95/669565695.db2.gz ZCNDPFPSQXYOKG-NWDGAFQWSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC000991578789 669565777 /nfs/dbraw/zinc/56/57/77/669565777.db2.gz ZCNDPFPSQXYOKG-RYUDHWBXSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC000991578790 669565614 /nfs/dbraw/zinc/56/56/14/669565614.db2.gz ZCNDPFPSQXYOKG-VXGBXAGGSA-N 1 0 326.397 -1.718 20 0 EAADRO Cc1c(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2O)ccc2c[nH+]cn21 ZINC000991579315 669566563 /nfs/dbraw/zinc/56/65/63/669566563.db2.gz HJAFFQKCNKJYMS-CHWSQXEVSA-N 1 0 345.359 -1.180 20 0 EAADRO Cc1c(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)ccc2c[nH+]cn21 ZINC000991579322 669566470 /nfs/dbraw/zinc/56/64/70/669566470.db2.gz HJAFFQKCNKJYMS-OLZOCXBDSA-N 1 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CC1CC[NH+](CC(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)CC1 ZINC000991729822 669672806 /nfs/dbraw/zinc/67/28/06/669672806.db2.gz OTGOXASCHKYCLF-RYUDHWBXSA-N 1 0 326.397 -1.718 20 0 EAADRO CC1CC[NH+](CC(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)CC1 ZINC000991729829 669672672 /nfs/dbraw/zinc/67/26/72/669672672.db2.gz OTGOXASCHKYCLF-VXGBXAGGSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC000991729884 669672605 /nfs/dbraw/zinc/67/26/05/669672605.db2.gz BHIAACWXHOQOMD-KBPBESRZSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC000991729889 669672742 /nfs/dbraw/zinc/67/27/42/669672742.db2.gz BHIAACWXHOQOMD-KGLIPLIRSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC000991729895 669672652 /nfs/dbraw/zinc/67/26/52/669672652.db2.gz BHIAACWXHOQOMD-UONOGXRCSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c1 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Cn1cnc(C(=O)N2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C(C)(C)C2)n1 ZINC000995768525 669729827 /nfs/dbraw/zinc/72/98/27/669729827.db2.gz QTMYPWYPTWQXMG-SNVBAGLBSA-N 1 0 349.395 -1.193 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)n1 ZINC000995769249 669729839 /nfs/dbraw/zinc/72/98/39/669729839.db2.gz VAFVDOTWKBFTME-SECBINFHSA-N 1 0 334.384 -1.123 20 0 EAADRO Cn1cnc(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)n1 ZINC000995769250 669730606 /nfs/dbraw/zinc/73/06/06/669730606.db2.gz VAFVDOTWKBFTME-VIFPVBQESA-N 1 0 334.384 -1.123 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C(C)(C)C2)nn1 ZINC000995770469 669729806 /nfs/dbraw/zinc/72/98/06/669729806.db2.gz BOAHNSKGUCPEEP-LLVKDONJSA-N 1 0 349.395 -1.193 20 0 EAADRO Cn1cc(C(=O)N2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C(C)(C)C2)nn1 ZINC000995770473 669729849 /nfs/dbraw/zinc/72/98/49/669729849.db2.gz BOAHNSKGUCPEEP-NSHDSACASA-N 1 0 349.395 -1.193 20 0 EAADRO Cn1cc(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)nn1 ZINC000995772186 669730187 /nfs/dbraw/zinc/73/01/87/669730187.db2.gz HTRZDEZCOSZQLL-JTQLQIEISA-N 1 0 334.384 -1.123 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)nn1 ZINC000995772189 669729902 /nfs/dbraw/zinc/72/99/02/669729902.db2.gz HTRZDEZCOSZQLL-SNVBAGLBSA-N 1 0 334.384 -1.123 20 0 EAADRO CC1(C)CN(C(=O)c2ncc[nH]2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000995790954 669731460 /nfs/dbraw/zinc/73/14/60/669731460.db2.gz IWVHGOKKHDEWQF-LLVKDONJSA-N 1 0 348.407 -1.192 20 0 EAADRO CC1(C)CN(C(=O)c2ncc[nH]2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000995790958 669731102 /nfs/dbraw/zinc/73/11/02/669731102.db2.gz IWVHGOKKHDEWQF-NSHDSACASA-N 1 0 348.407 -1.192 20 0 EAADRO CC1(C)CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000995797690 669730595 /nfs/dbraw/zinc/73/05/95/669730595.db2.gz PLRBVOCOSBDPIZ-LLVKDONJSA-N 1 0 349.395 -1.351 20 0 EAADRO CC1(C)CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000995797692 669730531 /nfs/dbraw/zinc/73/05/31/669730531.db2.gz 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CC1(C)CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000995799511 669730549 /nfs/dbraw/zinc/73/05/49/669730549.db2.gz XFOAXZDZXMZJSP-ZJUUUORDSA-N 1 0 335.368 -1.695 20 0 EAADRO CC1(C)CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000995799724 669730679 /nfs/dbraw/zinc/73/06/79/669730679.db2.gz ZXMYAIZLMQPDFQ-LLVKDONJSA-N 1 0 336.400 -1.475 20 0 EAADRO CC1(C)CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC000995799727 669730485 /nfs/dbraw/zinc/73/04/85/669730485.db2.gz ZXMYAIZLMQPDFQ-NSHDSACASA-N 1 0 336.400 -1.475 20 0 EAADRO CC1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000995824054 669731306 /nfs/dbraw/zinc/73/13/06/669731306.db2.gz HCOHVDADMRHTDP-NXEZZACHSA-N 1 0 349.395 -1.908 20 0 EAADRO CC1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+][C@H]1CCNC1=O ZINC000995824056 669731389 /nfs/dbraw/zinc/73/13/89/669731389.db2.gz HCOHVDADMRHTDP-UWVGGRQHSA-N 1 0 349.395 -1.908 20 0 EAADRO CC1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC000995824059 669731453 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NNSOOHLCZNICKW-RKDXNWHRSA-N 1 0 337.384 -1.923 20 0 EAADRO CC1(C)CN(C(=O)Cn2nccn2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000995850275 669731187 /nfs/dbraw/zinc/73/11/87/669731187.db2.gz AORDWUJLOVLODP-GHMZBOCLSA-N 1 0 334.380 -1.090 20 0 EAADRO CC1(C)CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000995850276 669731199 /nfs/dbraw/zinc/73/11/99/669731199.db2.gz AORDWUJLOVLODP-MNOVXSKESA-N 1 0 334.380 -1.090 20 0 EAADRO CC1(C)CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000995850278 669731057 /nfs/dbraw/zinc/73/10/57/669731057.db2.gz AORDWUJLOVLODP-QWRGUYRKSA-N 1 0 334.380 -1.090 20 0 EAADRO CC1(C)CN(C(=O)Cn2nccn2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000995850279 669731076 /nfs/dbraw/zinc/73/10/76/669731076.db2.gz AORDWUJLOVLODP-WDEREUQCSA-N 1 0 334.380 -1.090 20 0 EAADRO CC1(C)CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000995856708 669731415 /nfs/dbraw/zinc/73/14/15/669731415.db2.gz CABJBXWLULVJED-GHMZBOCLSA-N 1 0 329.422 -1.254 20 0 EAADRO 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/nfs/dbraw/zinc/73/16/28/669731628.db2.gz KOLNFQKJWYUTNC-JTQLQIEISA-N 1 0 334.384 -1.273 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)Cn3nccn3)CC2(C)C)nc1=O ZINC000995858508 669731774 /nfs/dbraw/zinc/73/17/74/669731774.db2.gz KOLNFQKJWYUTNC-SNVBAGLBSA-N 1 0 334.384 -1.273 20 0 EAADRO COCCN1C[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1=O ZINC000995868519 669731014 /nfs/dbraw/zinc/73/10/14/669731014.db2.gz CSPRLKJJHWVPBI-NEPJUHHUSA-N 1 0 340.424 -1.207 20 0 EAADRO COCCN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1=O ZINC000995868523 669731003 /nfs/dbraw/zinc/73/10/03/669731003.db2.gz CSPRLKJJHWVPBI-NWDGAFQWSA-N 1 0 340.424 -1.207 20 0 EAADRO COCCN1C[C@@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1=O ZINC000995868525 669731343 /nfs/dbraw/zinc/73/13/43/669731343.db2.gz CSPRLKJJHWVPBI-RYUDHWBXSA-N 1 0 340.424 -1.207 20 0 EAADRO COCCN1C[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1=O ZINC000995868527 669730990 /nfs/dbraw/zinc/73/09/90/669730990.db2.gz CSPRLKJJHWVPBI-VXGBXAGGSA-N 1 0 340.424 -1.207 20 0 EAADRO CC1(C)CN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1[NH2+]CC(N)=O ZINC000995876964 669732113 /nfs/dbraw/zinc/73/21/13/669732113.db2.gz BLFHDWXARNTWCJ-JTQLQIEISA-N 1 0 332.426 -1.666 20 0 EAADRO CC1(C)CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1[NH2+]CC(N)=O ZINC000995876972 669731971 /nfs/dbraw/zinc/73/19/71/669731971.db2.gz BLFHDWXARNTWCJ-SNVBAGLBSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C ZINC000995878242 669731917 /nfs/dbraw/zinc/73/19/17/669731917.db2.gz DNCOTYOZUFNFBU-NEPJUHHUSA-N 1 0 338.408 -1.246 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C ZINC000995878245 669731745 /nfs/dbraw/zinc/73/17/45/669731745.db2.gz DNCOTYOZUFNFBU-NWDGAFQWSA-N 1 0 338.408 -1.246 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C ZINC000995878248 669732140 /nfs/dbraw/zinc/73/21/40/669732140.db2.gz DNCOTYOZUFNFBU-RYUDHWBXSA-N 1 0 338.408 -1.246 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C 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349.395 -1.954 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000996442131 669754167 /nfs/dbraw/zinc/75/41/67/669754167.db2.gz NLGLBJZIQDFILP-SNVBAGLBSA-N 1 0 349.395 -1.954 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC000996442214 669754042 /nfs/dbraw/zinc/75/40/42/669754042.db2.gz NYYLWWWMXSBENO-JTQLQIEISA-N 1 0 349.395 -1.954 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC000996442217 669754354 /nfs/dbraw/zinc/75/43/54/669754354.db2.gz NYYLWWWMXSBENO-SNVBAGLBSA-N 1 0 349.395 -1.954 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000996443560 669753937 /nfs/dbraw/zinc/75/39/37/669753937.db2.gz NCCCIZMHZUTZEW-KOLCDFICSA-N 1 0 337.380 -1.747 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000996443561 669754376 /nfs/dbraw/zinc/75/43/76/669754376.db2.gz NCCCIZMHZUTZEW-ONGXEEELSA-N 1 0 337.380 -1.747 20 0 EAADRO 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O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)N1CCOCC1 ZINC000996932323 669782438 /nfs/dbraw/zinc/78/24/38/669782438.db2.gz RAVZRLJCUVQIMO-LBPRGKRZSA-N 1 0 339.396 -1.893 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]C2CCN(C(=O)C(N)=O)CC2)CC1 ZINC000996933231 669782753 /nfs/dbraw/zinc/78/27/53/669782753.db2.gz CQYFFDXOUQCLGT-UHFFFAOYSA-N 1 0 339.396 -2.257 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC000996934251 669782666 /nfs/dbraw/zinc/78/26/66/669782666.db2.gz XIOGPFLEAHZAJA-LLVKDONJSA-N 1 0 349.395 -1.430 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC000996934271 669782584 /nfs/dbraw/zinc/78/25/84/669782584.db2.gz XIOGPFLEAHZAJA-NSHDSACASA-N 1 0 349.395 -1.430 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C2CCN(C(=O)C(N)=O)CC2)C[C@@H](C)O1 ZINC000996936936 669782774 /nfs/dbraw/zinc/78/27/74/669782774.db2.gz GFKNITHMARVDQS-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C2CCN(C(=O)C(N)=O)CC2)C[C@H](C)O1 ZINC000996936943 669782617 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20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]C3CCN(C(=O)C(N)=O)CC3)C2=O)cn1 ZINC000996938554 669782580 /nfs/dbraw/zinc/78/25/80/669782580.db2.gz ODPNPQPQQLLOEV-CYBMUJFWSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]C3CCN(C(=O)C(N)=O)CC3)C2=O)cn1 ZINC000996938571 669782740 /nfs/dbraw/zinc/78/27/40/669782740.db2.gz ODPNPQPQQLLOEV-ZDUSSCGKSA-N 1 0 348.407 -1.019 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]C3CCN(C(=O)C(N)=O)CC3)C2=O)n(C)n1 ZINC000996938744 669783075 /nfs/dbraw/zinc/78/30/75/669783075.db2.gz PYFKPBRRVHCQCX-GFCCVEGCSA-N 1 0 348.407 -1.100 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]C3CCN(C(=O)C(N)=O)CC3)C2=O)n(C)n1 ZINC000996938755 669783266 /nfs/dbraw/zinc/78/32/66/669783266.db2.gz PYFKPBRRVHCQCX-LBPRGKRZSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]C3CCN(C(=O)C(N)=O)CC3)C2=O)n1 ZINC000996939554 669782493 /nfs/dbraw/zinc/78/24/93/669782493.db2.gz ZYOSWWMSFKGRRI-GFCCVEGCSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]C3CCN(C(=O)C(N)=O)CC3)C2=O)n1 ZINC000996939555 669782325 /nfs/dbraw/zinc/78/23/25/669782325.db2.gz ZYOSWWMSFKGRRI-LBPRGKRZSA-N 1 0 348.407 -1.019 20 0 EAADRO NC(=O)C1(C(=O)N2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)CC1 ZINC000996939566 669783339 /nfs/dbraw/zinc/78/33/39/669783339.db2.gz AFKNWXPUQZOTDT-UHFFFAOYSA-N 1 0 337.380 -1.616 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]C2CCN(C(=O)C(N)=O)CC2)C1=O ZINC000996939669 669783390 /nfs/dbraw/zinc/78/33/90/669783390.db2.gz DJJJEPJKSUJMKV-UHFFFAOYSA-N 1 0 325.369 -1.617 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000996941720 669783274 /nfs/dbraw/zinc/78/32/74/669783274.db2.gz MQHDBVZHWOFBGV-JTQLQIEISA-N 1 0 339.396 -2.224 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000996941728 669783423 /nfs/dbraw/zinc/78/34/23/669783423.db2.gz MQHDBVZHWOFBGV-SNVBAGLBSA-N 1 0 339.396 -2.224 20 0 EAADRO NC(=O)C1(C(=O)N2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)CC1 ZINC000996942483 669783511 /nfs/dbraw/zinc/78/35/11/669783511.db2.gz RWELRPAHOYKQRI-UHFFFAOYSA-N 1 0 336.392 -1.019 20 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336.392 -1.163 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000997018291 669784698 /nfs/dbraw/zinc/78/46/98/669784698.db2.gz UETBTZXRPNSEIR-UHFFFAOYSA-N 1 0 349.395 -1.130 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)nc1=O ZINC000997022899 669785571 /nfs/dbraw/zinc/78/55/71/669785571.db2.gz UJOPPZIIKKWPHU-UHFFFAOYSA-N 1 0 347.379 -1.070 20 0 EAADRO CCn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000997040890 669785949 /nfs/dbraw/zinc/78/59/49/669785949.db2.gz BXSWBNVJVCORBH-NSHDSACASA-N 1 0 349.395 -1.023 20 0 EAADRO Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)nn1 ZINC000997040942 669785670 /nfs/dbraw/zinc/78/56/70/669785670.db2.gz CFTMWVFMAWRQHI-NSHDSACASA-N 1 0 335.368 -1.506 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000997041601 669785699 /nfs/dbraw/zinc/78/56/99/669785699.db2.gz DOLBBBGQFPXUAY-NSHDSACASA-N 1 0 335.368 -1.543 20 0 EAADRO Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000997041631 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O=C([C@@H]1CCS(=O)(=O)N1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000997322663 669806692 /nfs/dbraw/zinc/80/66/92/669806692.db2.gz IHIKPJDRYFUBKO-LBPRGKRZSA-N 1 0 342.425 -1.450 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1)N1CCC1 ZINC000997323172 669806606 /nfs/dbraw/zinc/80/66/06/669806606.db2.gz LWIYDFDBOLRCTL-GFCCVEGCSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1)N1CCC1 ZINC000997323173 669806357 /nfs/dbraw/zinc/80/63/57/669806357.db2.gz LWIYDFDBOLRCTL-LBPRGKRZSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997323198 669806526 /nfs/dbraw/zinc/80/65/26/669806526.db2.gz MQVVHQZDRBKURN-LLVKDONJSA-N 1 0 329.382 -1.158 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997323203 669806613 /nfs/dbraw/zinc/80/66/13/669806613.db2.gz MQVVHQZDRBKURN-NSHDSACASA-N 1 0 329.382 -1.158 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997323206 669806575 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20 0 EAADRO CN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC000997323336 669806479 /nfs/dbraw/zinc/80/64/79/669806479.db2.gz NTLBFKKADXIYPS-NEPJUHHUSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC000997323341 669806761 /nfs/dbraw/zinc/80/67/61/669806761.db2.gz NTLBFKKADXIYPS-NWDGAFQWSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC000997323346 669806865 /nfs/dbraw/zinc/80/68/65/669806865.db2.gz NTLBFKKADXIYPS-RYUDHWBXSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC000997323350 669806811 /nfs/dbraw/zinc/80/68/11/669806811.db2.gz NTLBFKKADXIYPS-VXGBXAGGSA-N 1 0 344.437 -1.511 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000997323964 669806437 /nfs/dbraw/zinc/80/64/37/669806437.db2.gz PUSXKYAOWDDWLN-JTQLQIEISA-N 1 0 343.413 -2.018 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 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338.408 -1.488 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000997739648 669856874 /nfs/dbraw/zinc/85/68/74/669856874.db2.gz YJAMPIUIOGABKC-TZMCWYRMSA-N 1 0 338.408 -1.488 20 0 EAADRO Cc1nn(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(=O)n1C ZINC000997740389 669857241 /nfs/dbraw/zinc/85/72/41/669857241.db2.gz CHAUQHOXLLQNMK-LLVKDONJSA-N 1 0 336.396 -1.831 20 0 EAADRO Cc1nn(CC(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(=O)n1C ZINC000997740393 669857409 /nfs/dbraw/zinc/85/74/09/669857409.db2.gz CHAUQHOXLLQNMK-NSHDSACASA-N 1 0 336.396 -1.831 20 0 EAADRO CC[C@H](C(=O)N1CC(NC(=O)Cn2nc(C)n(C)c2=O)C1)[NH+](C)C ZINC000997740431 669857397 /nfs/dbraw/zinc/85/73/97/669857397.db2.gz CSOQYZSWSIADJE-GFCCVEGCSA-N 1 0 338.412 -1.443 20 0 EAADRO CC[C@@H](C(=O)N1CC(NC(=O)Cn2nc(C)n(C)c2=O)C1)[NH+](C)C ZINC000997740432 669857335 /nfs/dbraw/zinc/85/73/35/669857335.db2.gz CSOQYZSWSIADJE-LBPRGKRZSA-N 1 0 338.412 -1.443 20 0 EAADRO Cc1nn(CC(=O)NC2CN(C(=O)C34CC[NH+](CC3)C4)C2)c(=O)n1C ZINC000997741416 669857741 /nfs/dbraw/zinc/85/77/41/669857741.db2.gz JHEINCMHDODXBX-UHFFFAOYSA-N 1 0 348.407 -1.687 20 0 EAADRO Cc1nn(CC(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(=O)n1C ZINC000997741753 669858159 /nfs/dbraw/zinc/85/81/59/669858159.db2.gz NFHSGVKMKYOCQN-GFCCVEGCSA-N 1 0 336.396 -1.689 20 0 EAADRO Cc1nn(CC(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(=O)n1C ZINC000997741754 669858178 /nfs/dbraw/zinc/85/81/78/669858178.db2.gz NFHSGVKMKYOCQN-LBPRGKRZSA-N 1 0 336.396 -1.689 20 0 EAADRO Cc1nn(CC(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)c(=O)n1C ZINC000997741804 669858076 /nfs/dbraw/zinc/85/80/76/669858076.db2.gz OYPYUEFHHBIOHV-UHFFFAOYSA-N 1 0 336.396 -1.687 20 0 EAADRO Cc1nn(CC(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)c(=O)n1C ZINC000997741825 669858061 /nfs/dbraw/zinc/85/80/61/669858061.db2.gz PJLHEVHKAOBSTN-UHFFFAOYSA-N 1 0 333.352 -1.817 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997742594 669857048 /nfs/dbraw/zinc/85/70/48/669857048.db2.gz IDVZVZQFAPXGAG-GHMZBOCLSA-N 1 0 338.364 -1.272 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997742597 669857075 /nfs/dbraw/zinc/85/70/75/669857075.db2.gz IDVZVZQFAPXGAG-MNOVXSKESA-N 1 0 338.364 -1.272 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997742599 669856954 /nfs/dbraw/zinc/85/69/54/669856954.db2.gz IDVZVZQFAPXGAG-QWRGUYRKSA-N 1 0 338.364 -1.272 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997742601 669857064 /nfs/dbraw/zinc/85/70/64/669857064.db2.gz IDVZVZQFAPXGAG-WDEREUQCSA-N 1 0 338.364 -1.272 20 0 EAADRO Cn1[nH]c(C[NH2+]CC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)nc1=O ZINC000997743340 669857432 /nfs/dbraw/zinc/85/74/32/669857432.db2.gz NNJHCBXXDCOZPL-JTQLQIEISA-N 1 0 338.368 -1.455 20 0 EAADRO Cn1[nH]c(C[NH2+]CC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)nc1=O ZINC000997743343 669857420 /nfs/dbraw/zinc/85/74/20/669857420.db2.gz NNJHCBXXDCOZPL-SNVBAGLBSA-N 1 0 338.368 -1.455 20 0 EAADRO C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC[NH+](CC(N)=O)CC1 ZINC000997747790 669858542 /nfs/dbraw/zinc/85/85/42/669858542.db2.gz BLXDSINMOMTPOR-ZMLRMANQSA-N 1 0 326.397 -1.279 20 0 EAADRO CNC(=O)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000997747882 669858602 /nfs/dbraw/zinc/85/86/02/669858602.db2.gz DGXRNMWEOBXYAK-WCFLWFBJSA-N 1 0 340.424 -1.018 20 0 EAADRO C[C@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)C1CC[NH+](CCO)CC1 ZINC000997752670 669858578 /nfs/dbraw/zinc/85/85/78/669858578.db2.gz OTYGHNNQHYWFPO-VIFPVBQESA-N 1 0 345.425 -1.120 20 0 EAADRO Cn1cnc(C(=O)N2CCC(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC000997753044 669858621 /nfs/dbraw/zinc/85/86/21/669858621.db2.gz QGKBTOXAPVIESX-UHFFFAOYSA-N 1 0 334.384 -1.121 20 0 EAADRO Cn1cc(C(=O)N2CCC(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)nn1 ZINC000997755001 669858592 /nfs/dbraw/zinc/85/85/92/669858592.db2.gz DTCGUYTTXWYWRE-UHFFFAOYSA-N 1 0 334.384 -1.121 20 0 EAADRO O=C(CN1CC(=O)NC1=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000997763229 669860227 /nfs/dbraw/zinc/86/02/27/669860227.db2.gz GINZGQGGHAQNGY-UHFFFAOYSA-N 1 0 335.364 -2.039 20 0 EAADRO CC[C@@H](C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1)[NH+](C)C ZINC000997764781 669859016 /nfs/dbraw/zinc/85/90/16/669859016.db2.gz RABZPTKWKMRQAM-JTQLQIEISA-N 1 0 325.369 -1.795 20 0 EAADRO CC[C@H](C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1)[NH+](C)C ZINC000997764783 669859123 /nfs/dbraw/zinc/85/91/23/669859123.db2.gz RABZPTKWKMRQAM-SNVBAGLBSA-N 1 0 325.369 -1.795 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000997765349 669859333 /nfs/dbraw/zinc/85/93/33/669859333.db2.gz ZLPPGPDIWNJMIK-JTQLQIEISA-N 1 0 337.380 -1.793 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000997765351 669859475 /nfs/dbraw/zinc/85/94/75/669859475.db2.gz ZLPPGPDIWNJMIK-SNVBAGLBSA-N 1 0 337.380 -1.793 20 0 EAADRO O=C(CN1CC(=O)NC1=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000997765359 669859422 /nfs/dbraw/zinc/85/94/22/669859422.db2.gz ZOCHVGFNIQJTGF-UHFFFAOYSA-N 1 0 349.391 -1.506 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1)C1CC1 ZINC000997767109 669860397 /nfs/dbraw/zinc/86/03/97/669860397.db2.gz MLERYFLHVFTGIT-CYBMUJFWSA-N 1 0 337.380 -1.795 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1)C1CC1 ZINC000997767110 669860743 /nfs/dbraw/zinc/86/07/43/669860743.db2.gz MLERYFLHVFTGIT-ZDUSSCGKSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997767154 669861102 /nfs/dbraw/zinc/86/11/02/669861102.db2.gz NJCCFNJPBCEXRI-GXSJLCMTSA-N 1 0 337.380 -1.937 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997767155 669861131 /nfs/dbraw/zinc/86/11/31/669861131.db2.gz NJCCFNJPBCEXRI-KOLCDFICSA-N 1 0 337.380 -1.937 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997767158 669861019 /nfs/dbraw/zinc/86/10/19/669861019.db2.gz NJCCFNJPBCEXRI-MWLCHTKSSA-N 1 0 337.380 -1.937 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997767161 669860966 /nfs/dbraw/zinc/86/09/66/669860966.db2.gz NJCCFNJPBCEXRI-ONGXEEELSA-N 1 0 337.380 -1.937 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)CC1 ZINC000997767195 669860990 /nfs/dbraw/zinc/86/09/90/669860990.db2.gz NOZBKHNLWTZQDU-UHFFFAOYSA-N 1 0 337.380 -1.793 20 0 EAADRO O=C(CN1CC(=O)NC1=O)NC1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000997767749 669861136 /nfs/dbraw/zinc/86/11/36/669861136.db2.gz QWMQDZVWJZHNNX-INIZCTEOSA-N 1 0 349.391 -1.649 20 0 EAADRO C[N@H+](CC(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1)C1CCC1 ZINC000997767751 669861144 /nfs/dbraw/zinc/86/11/44/669861144.db2.gz QWPIYYFSQUYZLD-UHFFFAOYSA-N 1 0 337.380 -1.651 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997767914 669861053 /nfs/dbraw/zinc/86/10/53/669861053.db2.gz SXMHMTXPHSTQGW-LLVKDONJSA-N 1 0 337.380 -1.651 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997767916 669861116 /nfs/dbraw/zinc/86/11/16/669861116.db2.gz SXMHMTXPHSTQGW-NSHDSACASA-N 1 0 337.380 -1.651 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000997767977 669861476 /nfs/dbraw/zinc/86/14/76/669861476.db2.gz UMBVELSGLCQBJZ-MWLCHTKSSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000997768313 669861421 /nfs/dbraw/zinc/86/14/21/669861421.db2.gz WMUDCRDMFSZXDV-JTQLQIEISA-N 1 0 337.380 -1.793 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000997768317 669861527 /nfs/dbraw/zinc/86/15/27/669861527.db2.gz WMUDCRDMFSZXDV-SNVBAGLBSA-N 1 0 337.380 -1.793 20 0 EAADRO O=C(CN1CC(=O)NC1=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000997768483 669861550 /nfs/dbraw/zinc/86/15/50/669861550.db2.gz YFYBNYYBOUZZNP-GFCCVEGCSA-N 1 0 349.391 -1.793 20 0 EAADRO O=C(CN1CC(=O)NC1=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000997768488 669861481 /nfs/dbraw/zinc/86/14/81/669861481.db2.gz YFYBNYYBOUZZNP-LBPRGKRZSA-N 1 0 349.391 -1.793 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1)[NH+](C)C ZINC000997768887 669861440 /nfs/dbraw/zinc/86/14/40/669861440.db2.gz ZJMYZEHLSLIZOH-CYBMUJFWSA-N 1 0 339.396 -1.549 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1)[NH+](C)C ZINC000997768912 669861460 /nfs/dbraw/zinc/86/14/60/669861460.db2.gz ZJMYZEHLSLIZOH-ZDUSSCGKSA-N 1 0 339.396 -1.549 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997770964 669861745 /nfs/dbraw/zinc/86/17/45/669861745.db2.gz VBKPKELYZQNWTB-JTQLQIEISA-N 1 0 337.380 -1.651 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997770965 669861848 /nfs/dbraw/zinc/86/18/48/669861848.db2.gz VBKPKELYZQNWTB-SNVBAGLBSA-N 1 0 337.380 -1.651 20 0 EAADRO C[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C1CC[NH+](CCO)CC1 ZINC000997777999 669862569 /nfs/dbraw/zinc/86/25/69/669862569.db2.gz CNIHLGYKRAKJIM-NSHDSACASA-N 1 0 338.408 -1.093 20 0 EAADRO CNC(=O)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000997780412 669862586 /nfs/dbraw/zinc/86/25/86/669862586.db2.gz RNKIFKZXFOJBCM-ONGXEEELSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000997780564 669862776 /nfs/dbraw/zinc/86/27/76/669862776.db2.gz SQBXOKIGOPDZDG-NGZCFLSTSA-N 1 0 339.396 -1.325 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000997780570 669862576 /nfs/dbraw/zinc/86/25/76/669862576.db2.gz SQBXOKIGOPDZDG-QXEWZRGKSA-N 1 0 339.396 -1.325 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC[NH+](CC(N)=O)CC1 ZINC000997781375 669862745 /nfs/dbraw/zinc/86/27/45/669862745.db2.gz ZTYNXVWOIQPEMZ-WPRPVWTQSA-N 1 0 325.369 -1.714 20 0 EAADRO Cn1[nH]c(C[NH2+]CC2CCN(C(=O)Cn3ncnn3)CC2)nc1=O ZINC000997782838 669862792 /nfs/dbraw/zinc/86/27/92/669862792.db2.gz ZCTMVMBYZKGREO-UHFFFAOYSA-N 1 0 335.372 -1.877 20 0 EAADRO C[C@H]([NH2+]CC1CCN(C(=O)Cn2ncnn2)CC1)c1nnnn1C ZINC000997783188 669862813 /nfs/dbraw/zinc/86/28/13/669862813.db2.gz FDDZNATVRKMHAJ-JTQLQIEISA-N 1 0 334.388 -1.214 20 0 EAADRO C[C@@H]([NH2+]CC1CCN(C(=O)Cn2ncnn2)CC1)c1nnnn1C ZINC000997783437 669862806 /nfs/dbraw/zinc/86/28/06/669862806.db2.gz FDDZNATVRKMHAJ-SNVBAGLBSA-N 1 0 334.388 -1.214 20 0 EAADRO O=C(Cn1ncnn1)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997783745 669862490 /nfs/dbraw/zinc/86/24/90/669862490.db2.gz IWOOPKRTLHMQQM-LLVKDONJSA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(Cn1ncnn1)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997783746 669862714 /nfs/dbraw/zinc/86/27/14/669862714.db2.gz IWOOPKRTLHMQQM-NSHDSACASA-N 1 0 335.368 -1.694 20 0 EAADRO C[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C1CC[NH+](CC(N)=O)CC1 ZINC000997792751 669863329 /nfs/dbraw/zinc/86/33/29/669863329.db2.gz ZLKXJQDZAFUVQO-CMPLNLGQSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C1CC[NH+](CC(N)=O)CC1 ZINC000997792752 669863274 /nfs/dbraw/zinc/86/32/74/669863274.db2.gz ZLKXJQDZAFUVQO-JQWIXIFHSA-N 1 0 346.453 -1.278 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)n1 ZINC000997793137 669863351 /nfs/dbraw/zinc/86/33/51/669863351.db2.gz MMPGKZOATOCXHC-UHFFFAOYSA-N 1 0 348.367 -1.212 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC(C[NH2+][C@@H]3CCNC3=O)CC2)n1 ZINC000997793321 669863048 /nfs/dbraw/zinc/86/30/48/669863048.db2.gz PNEHSKOZKLCMRS-LLVKDONJSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)n1 ZINC000997793325 669863182 /nfs/dbraw/zinc/86/31/82/669863182.db2.gz PNEHSKOZKLCMRS-NSHDSACASA-N 1 0 349.395 -1.906 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000997806330 669863358 /nfs/dbraw/zinc/86/33/58/669863358.db2.gz CYUQRZDYDGTINJ-GFCCVEGCSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000997806333 669862935 /nfs/dbraw/zinc/86/29/35/669862935.db2.gz CYUQRZDYDGTINJ-LBPRGKRZSA-N 1 0 329.422 -1.252 20 0 EAADRO Cn1nnnc1C[NH2+]CC1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000997806867 669863199 /nfs/dbraw/zinc/86/31/99/669863199.db2.gz GIKROMBZGDUJIB-UHFFFAOYSA-N 1 0 342.425 -1.417 20 0 EAADRO Cn1[nH]c(C[NH2+]CC2CCN(C(=O)Cn3nccn3)CC2)nc1=O ZINC000997810964 669863531 /nfs/dbraw/zinc/86/35/31/669863531.db2.gz KRTJQHVNZWGIOK-UHFFFAOYSA-N 1 0 334.384 -1.272 20 0 EAADRO O=C(Cn1nccn1)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997811030 669863680 /nfs/dbraw/zinc/86/36/80/669863680.db2.gz MNUIPNUDKGCSHG-GFCCVEGCSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1nccn1)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997811031 669864155 /nfs/dbraw/zinc/86/41/55/669864155.db2.gz MNUIPNUDKGCSHG-LBPRGKRZSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)c1nnc[nH]1 ZINC000997812317 669863783 /nfs/dbraw/zinc/86/37/83/669863783.db2.gz PDDWAHKPRMRTGV-QMJNDHNRSA-N 1 0 332.364 -1.392 20 0 EAADRO O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)c1nnc[nH]1 ZINC000997812319 669864069 /nfs/dbraw/zinc/86/40/69/669864069.db2.gz PDDWAHKPRMRTGV-UQACVICXSA-N 1 0 332.364 -1.392 20 0 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/nfs/dbraw/zinc/92/77/39/669927739.db2.gz NSVGCIVPTBEMGT-RYUDHWBXSA-N 1 0 346.453 -1.134 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1)C(N)=O ZINC000999307329 669927785 /nfs/dbraw/zinc/92/77/85/669927785.db2.gz NSVGCIVPTBEMGT-VXGBXAGGSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1)C(N)=O ZINC000999311091 669927762 /nfs/dbraw/zinc/92/77/62/669927762.db2.gz YRZVZOGXZDJXLO-GHMZBOCLSA-N 1 0 337.380 -1.999 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1)C(N)=O ZINC000999311095 669927547 /nfs/dbraw/zinc/92/75/47/669927547.db2.gz YRZVZOGXZDJXLO-MNOVXSKESA-N 1 0 337.380 -1.999 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1)C(N)=O ZINC000999311102 669927591 /nfs/dbraw/zinc/92/75/91/669927591.db2.gz YRZVZOGXZDJXLO-QWRGUYRKSA-N 1 0 337.380 -1.999 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1)C(N)=O ZINC000999311105 669927749 /nfs/dbraw/zinc/92/77/49/669927749.db2.gz 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669927704 /nfs/dbraw/zinc/92/77/04/669927704.db2.gz BSHWZEJICYCLHB-UDNWOFFPSA-N 1 0 333.348 -1.232 20 0 EAADRO CN(C(=O)c1c[nH]c(=O)cn1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000999313966 669927616 /nfs/dbraw/zinc/92/76/16/669927616.db2.gz RIGCSESXXVBHGG-UHFFFAOYSA-N 1 0 348.363 -1.486 20 0 EAADRO CN(C(=O)c1c[nH]c(=O)cn1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999316648 669927720 /nfs/dbraw/zinc/92/77/20/669927720.db2.gz HNQCHTYBLGDLQU-UHFFFAOYSA-N 1 0 334.380 -1.012 20 0 EAADRO CN(C(=O)c1c[nH]c(=O)cn1)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000999320955 669927622 /nfs/dbraw/zinc/92/76/22/669927622.db2.gz XAPPSMIDSOYQML-UHFFFAOYSA-N 1 0 349.391 -1.179 20 0 EAADRO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000999322803 669928326 /nfs/dbraw/zinc/92/83/26/669928326.db2.gz IOSUEGPBBSBGTD-ILDUYXDCSA-N 1 0 349.395 -1.431 20 0 EAADRO CN(C(=O)[C@H]1CNC(=O)N1)C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000999322808 669928443 /nfs/dbraw/zinc/92/84/43/669928443.db2.gz IOSUEGPBBSBGTD-VQXHTEKXSA-N 1 0 349.395 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669928851 /nfs/dbraw/zinc/92/88/51/669928851.db2.gz KHXJYDLWZKSCNO-VQXHTEKXSA-N 1 0 337.380 -1.604 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000999329192 669928881 /nfs/dbraw/zinc/92/88/81/669928881.db2.gz BSUVTZOHTYTVHZ-BPCQOVAHSA-N 1 0 338.408 -1.312 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000999329198 669928715 /nfs/dbraw/zinc/92/87/15/669928715.db2.gz BSUVTZOHTYTVHZ-WXRRBKDZSA-N 1 0 338.408 -1.312 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC000999329275 669928650 /nfs/dbraw/zinc/92/86/50/669928650.db2.gz CBUWYSUWSYNBHM-ILDUYXDCSA-N 1 0 334.380 -1.410 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC000999329278 669928829 /nfs/dbraw/zinc/92/88/29/669928829.db2.gz CBUWYSUWSYNBHM-VQXHTEKXSA-N 1 0 334.380 -1.410 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000999329368 669928616 /nfs/dbraw/zinc/92/86/16/669928616.db2.gz DJNWGZBSKQCTDR-UHFFFAOYSA-N 1 0 333.352 -1.367 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000999330855 669929389 /nfs/dbraw/zinc/92/93/89/669929389.db2.gz KDTAKYMOTGRJRA-CBINBANVSA-N 1 0 334.380 -1.410 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000999330860 669929213 /nfs/dbraw/zinc/92/92/13/669929213.db2.gz KDTAKYMOTGRJRA-RTYFJBAXSA-N 1 0 334.380 -1.410 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000999332145 669929204 /nfs/dbraw/zinc/92/92/04/669929204.db2.gz SAHGVBDDGWFHHF-UHFFFAOYSA-N 1 0 339.396 -2.225 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000999332261 669929219 /nfs/dbraw/zinc/92/92/19/669929219.db2.gz VVCUTSAPTVJIFY-XSRFYTQQSA-N 1 0 336.396 -1.121 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000999332263 669929383 /nfs/dbraw/zinc/92/93/83/669929383.db2.gz VVCUTSAPTVJIFY-ZBOXLXRLSA-N 1 0 336.396 -1.121 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000999332592 669929150 /nfs/dbraw/zinc/92/91/50/669929150.db2.gz XMNIAXYPHBUEHR-KPPDAEKUSA-N 1 0 332.426 -1.668 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000999332599 669929440 /nfs/dbraw/zinc/92/94/40/669929440.db2.gz XMNIAXYPHBUEHR-WHXUTIOJSA-N 1 0 332.426 -1.668 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]C3CC(N(C)C(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC000999333546 669929255 /nfs/dbraw/zinc/92/92/55/669929255.db2.gz HHKPGTPVDBXBRJ-HTAVTVPLSA-N 1 0 348.407 -1.102 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]C3CC(N(C)C(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC000999333548 669929265 /nfs/dbraw/zinc/92/92/65/669929265.db2.gz HHKPGTPVDBXBRJ-MCIGGMRASA-N 1 0 348.407 -1.102 20 0 EAADRO CN(C(=O)C(N)=O)C1CC([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000999334278 669929456 /nfs/dbraw/zinc/92/94/56/669929456.db2.gz MDTDGDYDFJQHSI-UHFFFAOYSA-N 1 0 325.369 -1.619 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]C2CC(N(C)C(=O)C(N)=O)C2)CC1 ZINC000999334382 669929181 /nfs/dbraw/zinc/92/91/81/669929181.db2.gz 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-1.450 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001000961757 672508848 /nfs/dbraw/zinc/50/88/48/672508848.db2.gz WGNKBEXBAUQEIV-CMPLNLGQSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001000961759 672508925 /nfs/dbraw/zinc/50/89/25/672508925.db2.gz WGNKBEXBAUQEIV-JQWIXIFHSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001000961762 672508906 /nfs/dbraw/zinc/50/89/06/672508906.db2.gz WGNKBEXBAUQEIV-PWSUYJOCSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001000961765 672508751 /nfs/dbraw/zinc/50/87/51/672508751.db2.gz WGNKBEXBAUQEIV-ZYHUDNBSSA-N 1 0 342.425 -1.413 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001000992943 672512522 /nfs/dbraw/zinc/51/25/22/672512522.db2.gz OOUZDRTVEGXBSG-LLVKDONJSA-N 1 0 349.395 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001000992946 672512495 /nfs/dbraw/zinc/51/24/95/672512495.db2.gz OOUZDRTVEGXBSG-NSHDSACASA-N 1 0 349.395 -1.810 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001000998012 672513084 /nfs/dbraw/zinc/51/30/84/672513084.db2.gz BEIJYVBEXILEKD-NEPJUHHUSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001000998014 672512714 /nfs/dbraw/zinc/51/27/14/672512714.db2.gz BEIJYVBEXILEKD-NWDGAFQWSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001000998016 672512741 /nfs/dbraw/zinc/51/27/41/672512741.db2.gz BEIJYVBEXILEKD-RYUDHWBXSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001000998017 672512887 /nfs/dbraw/zinc/51/28/87/672512887.db2.gz BEIJYVBEXILEKD-VXGBXAGGSA-N 1 0 338.412 -1.059 20 0 EAADRO Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001000998029 672513031 /nfs/dbraw/zinc/51/30/31/672513031.db2.gz BUVIPCMPOQLYJO-LLVKDONJSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1ccnc1C[NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001000998030 672513098 /nfs/dbraw/zinc/51/30/98/672513098.db2.gz BUVIPCMPOQLYJO-NSHDSACASA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001000998066 672512697 /nfs/dbraw/zinc/51/26/97/672512697.db2.gz CNRZWVLSDRLNCI-LLVKDONJSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001000998067 672513021 /nfs/dbraw/zinc/51/30/21/672513021.db2.gz CNRZWVLSDRLNCI-NSHDSACASA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001000998087 672512936 /nfs/dbraw/zinc/51/29/36/672512936.db2.gz CUQZJIYXFOYTOS-NXEZZACHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001000998090 672513053 /nfs/dbraw/zinc/51/30/53/672513053.db2.gz CUQZJIYXFOYTOS-UWVGGRQHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001000998092 672512968 /nfs/dbraw/zinc/51/29/68/672512968.db2.gz CUQZJIYXFOYTOS-VHSXEESVSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001000998093 672513589 /nfs/dbraw/zinc/51/35/89/672513589.db2.gz CUQZJIYXFOYTOS-ZJUUUORDSA-N 1 0 335.368 -2.154 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001000998107 672513613 /nfs/dbraw/zinc/51/36/13/672513613.db2.gz DALURIIDVNDSEA-NXEZZACHSA-N 1 0 337.384 -1.779 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001000998109 672513431 /nfs/dbraw/zinc/51/34/31/672513431.db2.gz DALURIIDVNDSEA-UWVGGRQHSA-N 1 0 337.384 -1.779 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001000998112 672513481 /nfs/dbraw/zinc/51/34/81/672513481.db2.gz DALURIIDVNDSEA-VHSXEESVSA-N 1 0 337.384 -1.779 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001000998113 672513493 /nfs/dbraw/zinc/51/34/93/672513493.db2.gz DALURIIDVNDSEA-ZJUUUORDSA-N 1 0 337.384 -1.779 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001000998568 672513616 /nfs/dbraw/zinc/51/36/16/672513616.db2.gz GJAOWODRWNWHAI-GHMZBOCLSA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001000998571 672513495 /nfs/dbraw/zinc/51/34/95/672513495.db2.gz GJAOWODRWNWHAI-MNOVXSKESA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001000998573 672513391 /nfs/dbraw/zinc/51/33/91/672513391.db2.gz GJAOWODRWNWHAI-QWRGUYRKSA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001000998575 672513323 /nfs/dbraw/zinc/51/33/23/672513323.db2.gz GJAOWODRWNWHAI-WDEREUQCSA-N 1 0 349.395 -1.764 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001000999082 672513607 /nfs/dbraw/zinc/51/36/07/672513607.db2.gz KLAZVNMNSMXBNZ-JTQLQIEISA-N 1 0 337.384 -1.954 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)nn1 ZINC001000999083 672513352 /nfs/dbraw/zinc/51/33/52/672513352.db2.gz KLAZVNMNSMXBNZ-SNVBAGLBSA-N 1 0 337.384 -1.954 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001000999498 672513448 /nfs/dbraw/zinc/51/34/48/672513448.db2.gz LOWNAYGPMUKNRI-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001000999500 672513473 /nfs/dbraw/zinc/51/34/73/672513473.db2.gz LOWNAYGPMUKNRI-LBPRGKRZSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]C[C@H]3CCOC3)C2)nn1 ZINC001000999516 672513358 /nfs/dbraw/zinc/51/33/58/672513358.db2.gz MGIOWDRPGOEBNN-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC001000999518 672513540 /nfs/dbraw/zinc/51/35/40/672513540.db2.gz MGIOWDRPGOEBNN-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC001000999519 672513313 /nfs/dbraw/zinc/51/33/13/672513313.db2.gz MGIOWDRPGOEBNN-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]C[C@H]3CCOC3)C2)nn1 ZINC001000999520 672513576 /nfs/dbraw/zinc/51/35/76/672513576.db2.gz MGIOWDRPGOEBNN-VXGBXAGGSA-N 1 0 336.396 -1.006 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001000999595 672513290 /nfs/dbraw/zinc/51/32/90/672513290.db2.gz NOVMKJMHDAGWRW-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001000999599 672513506 /nfs/dbraw/zinc/51/35/06/672513506.db2.gz NOVMKJMHDAGWRW-LBPRGKRZSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)nn1 ZINC001000999642 672513276 /nfs/dbraw/zinc/51/32/76/672513276.db2.gz ODZPIKVRRCFSPJ-GFCCVEGCSA-N 1 0 346.395 -1.146 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)nn1 ZINC001000999644 672513644 /nfs/dbraw/zinc/51/36/44/672513644.db2.gz ODZPIKVRRCFSPJ-LBPRGKRZSA-N 1 0 346.395 -1.146 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001000999694 672513441 /nfs/dbraw/zinc/51/34/41/672513441.db2.gz OTKAECDGGRONKE-GHMZBOCLSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001000999697 672513565 /nfs/dbraw/zinc/51/35/65/672513565.db2.gz OTKAECDGGRONKE-MNOVXSKESA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001000999699 672513645 /nfs/dbraw/zinc/51/36/45/672513645.db2.gz OTKAECDGGRONKE-QWRGUYRKSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001000999702 672513400 /nfs/dbraw/zinc/51/34/00/672513400.db2.gz OTKAECDGGRONKE-WDEREUQCSA-N 1 0 349.395 -1.812 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001001000295 672513811 /nfs/dbraw/zinc/51/38/11/672513811.db2.gz RLYVPHMYYUFNIY-JTQLQIEISA-N 1 0 347.383 -1.714 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001001000296 672513887 /nfs/dbraw/zinc/51/38/87/672513887.db2.gz RLYVPHMYYUFNIY-SNVBAGLBSA-N 1 0 347.383 -1.714 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001001000717 672514433 /nfs/dbraw/zinc/51/44/33/672514433.db2.gz WBIXTIMYJQFTLT-LLVKDONJSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001001000718 672514339 /nfs/dbraw/zinc/51/43/39/672514339.db2.gz WBIXTIMYJQFTLT-NSHDSACASA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CCn3cncn3)C2)nn1 ZINC001001001128 672514589 /nfs/dbraw/zinc/51/45/89/672514589.db2.gz XNGISQOTVPDDKF-LLVKDONJSA-N 1 0 347.383 -1.751 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)nn1 ZINC001001001131 672514442 /nfs/dbraw/zinc/51/44/42/672514442.db2.gz XNGISQOTVPDDKF-NSHDSACASA-N 1 0 347.383 -1.751 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001001024562 672522326 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ZINC001001728084 668962682 /nfs/dbraw/zinc/96/26/82/668962682.db2.gz LGPNFEDGJGYBCW-OLZOCXBDSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001001728087 668962813 /nfs/dbraw/zinc/96/28/13/668962813.db2.gz LGPNFEDGJGYBCW-QWHCGFSZSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001001728091 668962783 /nfs/dbraw/zinc/96/27/83/668962783.db2.gz LGPNFEDGJGYBCW-STQMWFEESA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nnc(C(=O)NCC2CC[NH+](CCN3CCNC3=O)CC2)n1 ZINC001001728305 668962580 /nfs/dbraw/zinc/96/25/80/668962580.db2.gz YCNFQVYIORXEKG-UHFFFAOYSA-N 1 0 336.400 -1.323 20 0 EAADRO COCC(=O)N1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001001732512 668964264 /nfs/dbraw/zinc/96/42/64/668964264.db2.gz KPEVZPACTQHLKW-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO COCC(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001001732513 668964447 /nfs/dbraw/zinc/96/44/47/668964447.db2.gz KPEVZPACTQHLKW-ZDUSSCGKSA-N 1 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668967935 /nfs/dbraw/zinc/96/79/35/668967935.db2.gz KIXSIYNQYMMKON-LLVKDONJSA-N 1 0 339.396 -2.400 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(=O)NCCN(C(=O)C(N)=O)CC2)C1 ZINC001001745686 668967916 /nfs/dbraw/zinc/96/79/16/668967916.db2.gz KIXSIYNQYMMKON-NSHDSACASA-N 1 0 339.396 -2.400 20 0 EAADRO COCC(=O)N1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001001745714 668968022 /nfs/dbraw/zinc/96/80/22/668968022.db2.gz MAGPKFOOULTOEQ-UHFFFAOYSA-N 1 0 340.424 -1.094 20 0 EAADRO COCC(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001746079 668967827 /nfs/dbraw/zinc/96/78/27/668967827.db2.gz QOQVFDRVFYYLGA-CYBMUJFWSA-N 1 0 340.424 -1.238 20 0 EAADRO COCC(=O)N1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001746169 668968124 /nfs/dbraw/zinc/96/81/24/668968124.db2.gz QOQVFDRVFYYLGA-ZDUSSCGKSA-N 1 0 340.424 -1.238 20 0 EAADRO NC(=O)C(=O)N1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001001746602 668968357 /nfs/dbraw/zinc/96/83/57/668968357.db2.gz VVMBWFTVDGBEHH-UHFFFAOYSA-N 1 0 339.396 -2.255 20 0 EAADRO CC[C@H](C(=O)N1CCC(=O)NCCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001001756356 668970521 /nfs/dbraw/zinc/97/05/21/668970521.db2.gz LKNCBCRFKNLRAE-LLVKDONJSA-N 1 0 341.412 -2.011 20 0 EAADRO CC[C@@H](C(=O)N1CCC(=O)NCCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001001759949 668971349 /nfs/dbraw/zinc/97/13/49/668971349.db2.gz LKNCBCRFKNLRAE-NSHDSACASA-N 1 0 341.412 -2.011 20 0 EAADRO NC(=O)C(=O)N1CCC(=O)NCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001001769290 668973259 /nfs/dbraw/zinc/97/32/59/668973259.db2.gz DOWNHGDVCBVSEQ-UHFFFAOYSA-N 1 0 339.396 -2.255 20 0 EAADRO CC[C@H](C(=O)N1CCNC(=O)CCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001001771203 668974522 /nfs/dbraw/zinc/97/45/22/668974522.db2.gz SBCSEAURWJFCEP-LLVKDONJSA-N 1 0 341.412 -2.011 20 0 EAADRO CC[C@@H](C(=O)N1CCNC(=O)CCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001001771205 668974711 /nfs/dbraw/zinc/97/47/11/668974711.db2.gz SBCSEAURWJFCEP-NSHDSACASA-N 1 0 341.412 -2.011 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCNC(=O)CCN(C(=O)C(N)=O)CC2)C1 ZINC001001771235 668974629 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EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001002139517 668999146 /nfs/dbraw/zinc/99/91/46/668999146.db2.gz WSKPOLZIASLTJU-CQSZACIVSA-N 1 0 340.424 -1.192 20 0 EAADRO Cn1cc(C(=O)NCC2CCN(Cc3nnnn3C)CC2)n(C)c1=O ZINC001002153442 668998699 /nfs/dbraw/zinc/99/86/99/668998699.db2.gz NXKHYBJRCJSVJB-UHFFFAOYSA-N 1 0 348.411 -1.111 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CCN(Cc3cnon3)CC2)nn1 ZINC001002157557 668998415 /nfs/dbraw/zinc/99/84/15/668998415.db2.gz KLUWIXZJBLHCJZ-UHFFFAOYSA-N 1 0 348.367 -1.212 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC[NH+]([C@H]3CCNC3=O)CC2)nn1 ZINC001002160151 668999104 /nfs/dbraw/zinc/99/91/04/668999104.db2.gz UEVKDJIXYWTNBC-LBPRGKRZSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001002160213 668999345 /nfs/dbraw/zinc/99/93/45/668999345.db2.gz VFPWUOFLEVXJPG-SECBINFHSA-N 1 0 337.384 -1.921 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001002160214 668999358 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CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC[N@@H+]1C ZINC001002258146 669001973 /nfs/dbraw/zinc/00/19/73/669001973.db2.gz MHIMXZJJXZZTSN-RWMBFGLXSA-N 1 0 337.424 -1.027 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC[N@@H+]1C ZINC001002258148 669001847 /nfs/dbraw/zinc/00/18/47/669001847.db2.gz MHIMXZJJXZZTSN-YNEHKIRRSA-N 1 0 337.424 -1.027 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)CC[N@@H+]1C ZINC001002258159 669001933 /nfs/dbraw/zinc/00/19/33/669001933.db2.gz MHYIUQBCNMWVGM-QWHCGFSZSA-N 1 0 335.412 -1.022 20 0 EAADRO O=C(NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)c1ccc(=O)[nH]n1 ZINC001002290848 669004726 /nfs/dbraw/zinc/00/47/26/669004726.db2.gz BGJDGRGNJXQZMU-UHFFFAOYSA-N 1 0 348.363 -1.072 20 0 EAADRO O=C(Cn1cnnn1)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001002308135 669005789 /nfs/dbraw/zinc/00/57/89/669005789.db2.gz OPFSPIZPOAPFFD-UHFFFAOYSA-N 1 0 336.356 -2.195 20 0 EAADRO O=C(Cn1cnnn1)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001002308938 669005645 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O=C(NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[C@H]1COCCO1 ZINC001002374237 669007041 /nfs/dbraw/zinc/00/70/41/669007041.db2.gz CHWRYSLCEKHIMF-NWDGAFQWSA-N 1 0 325.365 -1.212 20 0 EAADRO O=C(NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[C@@H]1COCCO1 ZINC001002374238 669006837 /nfs/dbraw/zinc/00/68/37/669006837.db2.gz CHWRYSLCEKHIMF-RYUDHWBXSA-N 1 0 325.365 -1.212 20 0 EAADRO O=C(NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)[C@H]1COCCO1 ZINC001002374240 669007019 /nfs/dbraw/zinc/00/70/19/669007019.db2.gz CHWRYSLCEKHIMF-VXGBXAGGSA-N 1 0 325.365 -1.212 20 0 EAADRO O=C(NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)[C@H]1COCCO1 ZINC001002376555 669007004 /nfs/dbraw/zinc/00/70/04/669007004.db2.gz SGXQVEFWDUICJJ-GFCCVEGCSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)[C@@H]1COCCO1 ZINC001002376557 669007068 /nfs/dbraw/zinc/00/70/68/669007068.db2.gz SGXQVEFWDUICJJ-LBPRGKRZSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(Cn1cnnn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002396965 669007767 /nfs/dbraw/zinc/00/77/67/669007767.db2.gz HIRMQNPFPAHGGU-CHWSQXEVSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002396966 669007443 /nfs/dbraw/zinc/00/74/43/669007443.db2.gz HIRMQNPFPAHGGU-OLZOCXBDSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002396968 669007576 /nfs/dbraw/zinc/00/75/76/669007576.db2.gz HIRMQNPFPAHGGU-QWHCGFSZSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002396969 669007734 /nfs/dbraw/zinc/00/77/34/669007734.db2.gz HIRMQNPFPAHGGU-STQMWFEESA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1nccn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002407348 669008792 /nfs/dbraw/zinc/00/87/92/669008792.db2.gz AKNJRBOPWGTGLF-KBPBESRZSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1nccn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002407349 669008922 /nfs/dbraw/zinc/00/89/22/669008922.db2.gz AKNJRBOPWGTGLF-KGLIPLIRSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1nccn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002407350 669009022 /nfs/dbraw/zinc/00/90/22/669009022.db2.gz AKNJRBOPWGTGLF-UONOGXRCSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1nccn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002407352 669008896 /nfs/dbraw/zinc/00/88/96/669008896.db2.gz AKNJRBOPWGTGLF-ZIAGYGMSSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002408022 669008629 /nfs/dbraw/zinc/00/86/29/669008629.db2.gz GXRVRUSEVBXGBN-CHWSQXEVSA-N 1 0 348.407 -1.215 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002408024 669008801 /nfs/dbraw/zinc/00/88/01/669008801.db2.gz GXRVRUSEVBXGBN-OLZOCXBDSA-N 1 0 348.407 -1.215 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002408027 669008823 /nfs/dbraw/zinc/00/88/23/669008823.db2.gz GXRVRUSEVBXGBN-QWHCGFSZSA-N 1 0 348.407 -1.215 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002408031 669008648 /nfs/dbraw/zinc/00/86/48/669008648.db2.gz GXRVRUSEVBXGBN-STQMWFEESA-N 1 0 348.407 -1.215 20 0 EAADRO O=C(Cn1cncn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002408432 669008984 /nfs/dbraw/zinc/00/89/84/669008984.db2.gz ILGJKYDFRHZDKW-KBPBESRZSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1cncn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002408434 669008733 /nfs/dbraw/zinc/00/87/33/669008733.db2.gz ILGJKYDFRHZDKW-KGLIPLIRSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1cncn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002408436 669008668 /nfs/dbraw/zinc/00/86/68/669008668.db2.gz ILGJKYDFRHZDKW-UONOGXRCSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1cncn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002408438 669008975 /nfs/dbraw/zinc/00/89/75/669008975.db2.gz ILGJKYDFRHZDKW-ZIAGYGMSSA-N 1 0 348.407 -1.284 20 0 EAADRO Cn1ncc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001002408708 669008999 /nfs/dbraw/zinc/00/89/99/669008999.db2.gz JSYCWTZGVNNSEL-GXTWGEPZSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001002408711 669008868 /nfs/dbraw/zinc/00/88/68/669008868.db2.gz JSYCWTZGVNNSEL-JSGCOSHPSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001002408713 669009117 /nfs/dbraw/zinc/00/91/17/669009117.db2.gz JSYCWTZGVNNSEL-OCCSQVGLSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001002408716 669008878 /nfs/dbraw/zinc/00/88/78/669008878.db2.gz JSYCWTZGVNNSEL-TZMCWYRMSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001002408777 669008717 /nfs/dbraw/zinc/00/87/17/669008717.db2.gz KMDOXJWGNAJDLX-CHWSQXEVSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001002408780 669009098 /nfs/dbraw/zinc/00/90/98/669009098.db2.gz KMDOXJWGNAJDLX-OLZOCXBDSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001002408782 669008912 /nfs/dbraw/zinc/00/89/12/669008912.db2.gz KMDOXJWGNAJDLX-QWHCGFSZSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001002408784 669008887 /nfs/dbraw/zinc/00/88/87/669008887.db2.gz KMDOXJWGNAJDLX-STQMWFEESA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001002408881 669008749 /nfs/dbraw/zinc/00/87/49/669008749.db2.gz LVICVKKVOKLNKW-GXTWGEPZSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001002408883 669008960 /nfs/dbraw/zinc/00/89/60/669008960.db2.gz LVICVKKVOKLNKW-JSGCOSHPSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001002408886 669008769 /nfs/dbraw/zinc/00/87/69/669008769.db2.gz LVICVKKVOKLNKW-OCCSQVGLSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001002408892 669008850 /nfs/dbraw/zinc/00/88/50/669008850.db2.gz LVICVKKVOKLNKW-TZMCWYRMSA-N 1 0 348.407 -1.134 20 0 EAADRO O=C(NCC1CN(C(=O)c2cn[nH]n2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002409452 669009379 /nfs/dbraw/zinc/00/93/79/669009379.db2.gz OSRBTCBFPBBKIX-AAEUAGOBSA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(NCC1CN(C(=O)c2cn[nH]n2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002409454 669009337 /nfs/dbraw/zinc/00/93/37/669009337.db2.gz OSRBTCBFPBBKIX-DGCLKSJQSA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(NCC1CN(C(=O)c2cn[nH]n2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002409455 669009603 /nfs/dbraw/zinc/00/96/03/669009603.db2.gz OSRBTCBFPBBKIX-WCQYABFASA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(NCC1CN(C(=O)c2cn[nH]n2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002409456 669009778 /nfs/dbraw/zinc/00/97/78/669009778.db2.gz OSRBTCBFPBBKIX-YPMHNXCESA-N 1 0 334.380 -1.144 20 0 EAADRO Cn1nncc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002410278 669008224 /nfs/dbraw/zinc/00/82/24/669008224.db2.gz RKUMQBKILBKCOJ-GXTWGEPZSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nncc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002410281 669008380 /nfs/dbraw/zinc/00/83/80/669008380.db2.gz RKUMQBKILBKCOJ-JSGCOSHPSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nncc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002410285 669008491 /nfs/dbraw/zinc/00/84/91/669008491.db2.gz RKUMQBKILBKCOJ-OCCSQVGLSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nncc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002410288 669008024 /nfs/dbraw/zinc/00/80/24/669008024.db2.gz RKUMQBKILBKCOJ-TZMCWYRMSA-N 1 0 348.407 -1.134 20 0 EAADRO O=C(NCC1CN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002410838 669008241 /nfs/dbraw/zinc/00/82/41/669008241.db2.gz VRRTZLLPRLNMIJ-NEPJUHHUSA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(NCC1CN(C(=O)c2nc[nH]n2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002410839 669008000 /nfs/dbraw/zinc/00/80/00/669008000.db2.gz VRRTZLLPRLNMIJ-NWDGAFQWSA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(NCC1CN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002410840 669008278 /nfs/dbraw/zinc/00/82/78/669008278.db2.gz VRRTZLLPRLNMIJ-RYUDHWBXSA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(NCC1CN(C(=O)c2nc[nH]n2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002410841 669008311 /nfs/dbraw/zinc/00/83/11/669008311.db2.gz VRRTZLLPRLNMIJ-VXGBXAGGSA-N 1 0 334.380 -1.144 20 0 EAADRO Cn1nnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001002410895 669008369 /nfs/dbraw/zinc/00/83/69/669008369.db2.gz WZSOLZJVAKHLJQ-NEPJUHHUSA-N 1 0 349.395 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001002410897 669008427 /nfs/dbraw/zinc/00/84/27/669008427.db2.gz WZSOLZJVAKHLJQ-NWDGAFQWSA-N 1 0 349.395 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001002410899 669008508 /nfs/dbraw/zinc/00/85/08/669008508.db2.gz WZSOLZJVAKHLJQ-RYUDHWBXSA-N 1 0 349.395 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001002410901 669008444 /nfs/dbraw/zinc/00/84/44/669008444.db2.gz WZSOLZJVAKHLJQ-VXGBXAGGSA-N 1 0 349.395 -1.739 20 0 EAADRO O=C(Cn1ncnn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002410972 669008261 /nfs/dbraw/zinc/00/82/61/669008261.db2.gz XNANTOFZWVZUOD-CHWSQXEVSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1ncnn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001002410974 669008147 /nfs/dbraw/zinc/00/81/47/669008147.db2.gz XNANTOFZWVZUOD-OLZOCXBDSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1ncnn1)N1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002410976 669008060 /nfs/dbraw/zinc/00/80/60/669008060.db2.gz XNANTOFZWVZUOD-QWHCGFSZSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1ncnn1)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001002410978 669008178 /nfs/dbraw/zinc/00/81/78/669008178.db2.gz XNANTOFZWVZUOD-STQMWFEESA-N 1 0 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C[C@H](O)C[NH+]1CCC(NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001004132972 669188559 /nfs/dbraw/zinc/18/85/59/669188559.db2.gz BABKKNYJNQHBQA-LBPRGKRZSA-N 1 0 333.454 -1.322 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004133124 669188512 /nfs/dbraw/zinc/18/85/12/669188512.db2.gz HLMPQGICAULLGE-LLVKDONJSA-N 1 0 337.380 -1.056 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004133126 669188623 /nfs/dbraw/zinc/18/86/23/669188623.db2.gz HLMPQGICAULLGE-NSHDSACASA-N 1 0 337.380 -1.056 20 0 EAADRO Cn1cc(C(=O)NC2CC[NH+](CCn3cncn3)CC2)c(=O)[nH]c1=O ZINC001004133828 669188676 /nfs/dbraw/zinc/18/86/76/669188676.db2.gz LSUQXRKVJXGOJZ-UHFFFAOYSA-N 1 0 347.379 -1.028 20 0 EAADRO Cn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCNC3=O)CC2)c(=O)[nH]c1=O ZINC001004134127 669189133 /nfs/dbraw/zinc/18/91/33/669189133.db2.gz OJSDNBAWAGPNPM-GFCCVEGCSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1cc(C(=O)NC2CC[NH+]([C@H]3CCCNC3=O)CC2)c(=O)[nH]c1=O ZINC001004134128 669189321 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335.364 -1.431 20 0 EAADRO Cn1cc(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)c(=O)[nH]c1=O ZINC001004135015 669188588 /nfs/dbraw/zinc/18/85/88/669188588.db2.gz XDVHZNKVFGEUSY-NSHDSACASA-N 1 0 335.364 -1.431 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NC1CC[NH+](CCCO)CC1 ZINC001004135035 669188442 /nfs/dbraw/zinc/18/84/42/669188442.db2.gz YLBMLMDQASBPTK-UHFFFAOYSA-N 1 0 333.454 -1.320 20 0 EAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC001004165947 669191401 /nfs/dbraw/zinc/19/14/01/669191401.db2.gz HKPSGUXLWZHWMG-NEPJUHHUSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC001004165951 669191270 /nfs/dbraw/zinc/19/12/70/669191270.db2.gz HKPSGUXLWZHWMG-NWDGAFQWSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC001004165955 669191521 /nfs/dbraw/zinc/19/15/21/669191521.db2.gz HKPSGUXLWZHWMG-RYUDHWBXSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC001004165959 669191515 /nfs/dbraw/zinc/19/15/15/669191515.db2.gz HKPSGUXLWZHWMG-VXGBXAGGSA-N 1 0 344.437 -1.511 20 0 EAADRO O=C(NC1CC[NH+]([C@H]2CCCNC2=O)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001004167927 669191427 /nfs/dbraw/zinc/19/14/27/669191427.db2.gz STPJRCUUKSWCGQ-NEPJUHHUSA-N 1 0 344.437 -1.463 20 0 EAADRO O=C(NC1CC[NH+]([C@@H]2CCCNC2=O)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001004167931 669191461 /nfs/dbraw/zinc/19/14/61/669191461.db2.gz STPJRCUUKSWCGQ-NWDGAFQWSA-N 1 0 344.437 -1.463 20 0 EAADRO O=C(NC1CC[NH+]([C@H]2CCCNC2=O)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001004167935 669191329 /nfs/dbraw/zinc/19/13/29/669191329.db2.gz STPJRCUUKSWCGQ-RYUDHWBXSA-N 1 0 344.437 -1.463 20 0 EAADRO O=C(NC1CC[NH+]([C@@H]2CCCNC2=O)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001004167938 669191305 /nfs/dbraw/zinc/19/13/05/669191305.db2.gz STPJRCUUKSWCGQ-VXGBXAGGSA-N 1 0 344.437 -1.463 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004167961 669191384 /nfs/dbraw/zinc/19/13/84/669191384.db2.gz TVMPOADFSGKHNH-GXSJLCMTSA-N 1 0 332.426 -1.607 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004167963 669191258 /nfs/dbraw/zinc/19/12/58/669191258.db2.gz TVMPOADFSGKHNH-KOLCDFICSA-N 1 0 332.426 -1.607 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004167964 669191440 /nfs/dbraw/zinc/19/14/40/669191440.db2.gz TVMPOADFSGKHNH-MWLCHTKSSA-N 1 0 332.426 -1.607 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004167967 669191338 /nfs/dbraw/zinc/19/13/38/669191338.db2.gz TVMPOADFSGKHNH-ONGXEEELSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004168002 669191433 /nfs/dbraw/zinc/19/14/33/669191433.db2.gz UOZHQVQBRPFZAZ-CMPLNLGQSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004168004 669191319 /nfs/dbraw/zinc/19/13/19/669191319.db2.gz UOZHQVQBRPFZAZ-JQWIXIFHSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004168006 669191347 /nfs/dbraw/zinc/19/13/47/669191347.db2.gz UOZHQVQBRPFZAZ-PWSUYJOCSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004168008 669191357 /nfs/dbraw/zinc/19/13/57/669191357.db2.gz UOZHQVQBRPFZAZ-ZYHUDNBSSA-N 1 0 346.453 -1.265 20 0 EAADRO O=C(NC1CC[NH+](CCn2cncn2)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001004168313 669191541 /nfs/dbraw/zinc/19/15/41/669191541.db2.gz XBVDUUVFTKDRDD-GFCCVEGCSA-N 1 0 342.425 -1.450 20 0 EAADRO O=C(NC1CC[NH+](CCn2cncn2)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001004168315 669191484 /nfs/dbraw/zinc/19/14/84/669191484.db2.gz XBVDUUVFTKDRDD-LBPRGKRZSA-N 1 0 342.425 -1.450 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004168461 669192019 /nfs/dbraw/zinc/19/20/19/669192019.db2.gz ZVGJQAIZYKWSNY-GHMZBOCLSA-N 1 0 332.426 -1.477 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004168465 669192033 /nfs/dbraw/zinc/19/20/33/669192033.db2.gz ZVGJQAIZYKWSNY-MNOVXSKESA-N 1 0 332.426 -1.477 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004168466 669191927 /nfs/dbraw/zinc/19/19/27/669191927.db2.gz ZVGJQAIZYKWSNY-QWRGUYRKSA-N 1 0 332.426 -1.477 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004168468 669192042 /nfs/dbraw/zinc/19/20/42/669192042.db2.gz ZVGJQAIZYKWSNY-WDEREUQCSA-N 1 0 332.426 -1.477 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001004175163 669192559 /nfs/dbraw/zinc/19/25/59/669192559.db2.gz FHUDALUBBZPHJN-BXUZGUMPSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001004175173 669192802 /nfs/dbraw/zinc/19/28/02/669192802.db2.gz FHUDALUBBZPHJN-FZMZJTMJSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001004175185 669192634 /nfs/dbraw/zinc/19/26/34/669192634.db2.gz FHUDALUBBZPHJN-RISCZKNCSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001004175196 669192679 /nfs/dbraw/zinc/19/26/79/669192679.db2.gz FHUDALUBBZPHJN-SMDDNHRTSA-N 1 0 340.424 -1.051 20 0 EAADRO Cn1cc(C[NH+]2CCC(NC(=O)c3cn(CC(N)=O)nn3)CC2)cn1 ZINC001004201421 669196050 /nfs/dbraw/zinc/19/60/50/669196050.db2.gz PHZBBKJBIIBYPJ-UHFFFAOYSA-N 1 0 346.395 -1.109 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004207360 669198210 /nfs/dbraw/zinc/19/82/10/669198210.db2.gz IKNMXECDOHFYCU-LLVKDONJSA-N 1 0 337.384 -1.779 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004207373 669197996 /nfs/dbraw/zinc/19/79/96/669197996.db2.gz IKNMXECDOHFYCU-NSHDSACASA-N 1 0 337.384 -1.779 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC[NH+](CCn3cccn3)CC2)nn1 ZINC001004207374 669198135 /nfs/dbraw/zinc/19/81/35/669198135.db2.gz IOUBSQLNNJZQMX-UHFFFAOYSA-N 1 0 346.395 -1.146 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC[NH+](CCn3cncn3)CC2)nn1 ZINC001004207457 669198190 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C[C@@H](O)C[NH+]1CCC(NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001004207674 669197908 /nfs/dbraw/zinc/19/79/08/669197908.db2.gz VLKOAYOOVIPNMF-LLVKDONJSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@H](O)C[NH+]1CCC(NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001004207675 669198091 /nfs/dbraw/zinc/19/80/91/669198091.db2.gz VLKOAYOOVIPNMF-NSHDSACASA-N 1 0 338.412 -1.059 20 0 EAADRO Cn1cc(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)n(C)c1=O ZINC001004219627 669201544 /nfs/dbraw/zinc/20/15/44/669201544.db2.gz TWRFJVOYASDTPB-LLVKDONJSA-N 1 0 349.391 -1.277 20 0 EAADRO Cn1cc(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)n(C)c1=O ZINC001004219805 669201601 /nfs/dbraw/zinc/20/16/01/669201601.db2.gz TWRFJVOYASDTPB-NSHDSACASA-N 1 0 349.391 -1.277 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@H]3CC(=O)NC3=O)CC2)C1=O ZINC001004286771 669215020 /nfs/dbraw/zinc/21/50/20/669215020.db2.gz VPVQGFKXGYSTPE-CMPLNLGQSA-N 1 0 336.392 -1.150 20 0 EAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H]3CC(=O)NC3=O)CC2)C1=O ZINC001004286772 669214936 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336.396 -1.244 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001004456492 669222703 /nfs/dbraw/zinc/22/27/03/669222703.db2.gz MAPNHPMBRGFKFR-PWSUYJOCSA-N 1 0 336.396 -1.244 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001004456493 669222761 /nfs/dbraw/zinc/22/27/61/669222761.db2.gz MAPNHPMBRGFKFR-ZYHUDNBSSA-N 1 0 336.396 -1.244 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001004457383 669222869 /nfs/dbraw/zinc/22/28/69/669222869.db2.gz NYVWVXWDHIKNEE-GWCFXTLKSA-N 1 0 343.449 -1.197 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001004457386 669222646 /nfs/dbraw/zinc/22/26/46/669222646.db2.gz NYVWVXWDHIKNEE-GXFFZTMASA-N 1 0 343.449 -1.197 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001004457389 669222623 /nfs/dbraw/zinc/22/26/23/669222623.db2.gz NYVWVXWDHIKNEE-MFKMUULPSA-N 1 0 343.449 -1.197 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001004457392 669222889 /nfs/dbraw/zinc/22/28/89/669222889.db2.gz NYVWVXWDHIKNEE-ZWNOBZJWSA-N 1 0 343.449 -1.197 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001004462777 669223540 /nfs/dbraw/zinc/22/35/40/669223540.db2.gz ZIEGAOUJOZRPFZ-AAEUAGOBSA-N 1 0 335.412 -1.165 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001004462780 669223653 /nfs/dbraw/zinc/22/36/53/669223653.db2.gz ZIEGAOUJOZRPFZ-DGCLKSJQSA-N 1 0 335.412 -1.165 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001004462783 669223599 /nfs/dbraw/zinc/22/35/99/669223599.db2.gz ZIEGAOUJOZRPFZ-WCQYABFASA-N 1 0 335.412 -1.165 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001004462786 669223437 /nfs/dbraw/zinc/22/34/37/669223437.db2.gz ZIEGAOUJOZRPFZ-YPMHNXCESA-N 1 0 335.412 -1.165 20 0 EAADRO Cn1nc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001004580357 669233914 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C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001004865651 669276720 /nfs/dbraw/zinc/27/67/20/669276720.db2.gz XUEVWIABSORNOB-WDEREUQCSA-N 1 0 349.399 -1.346 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001004907294 669283059 /nfs/dbraw/zinc/28/30/59/669283059.db2.gz IHNMHSRRNMLRHL-NXEZZACHSA-N 1 0 349.399 -1.195 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001004907298 669283062 /nfs/dbraw/zinc/28/30/62/669283062.db2.gz IHNMHSRRNMLRHL-UWVGGRQHSA-N 1 0 349.399 -1.195 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001004907300 669282956 /nfs/dbraw/zinc/28/29/56/669282956.db2.gz IHNMHSRRNMLRHL-VHSXEESVSA-N 1 0 349.399 -1.195 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001004907302 669283072 /nfs/dbraw/zinc/28/30/72/669283072.db2.gz IHNMHSRRNMLRHL-ZJUUUORDSA-N 1 0 349.399 -1.195 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)Cn1ccnc1 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336.396 -1.351 20 0 EAADRO C[C@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1C(=O)C(N)=O ZINC001012022462 672712365 /nfs/dbraw/zinc/71/23/65/672712365.db2.gz LHLUSPVTAMKLBH-QWRGUYRKSA-N 1 0 336.396 -1.351 20 0 EAADRO C[C@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1C(=O)C(N)=O ZINC001012022463 672712344 /nfs/dbraw/zinc/71/23/44/672712344.db2.gz LHLUSPVTAMKLBH-WDEREUQCSA-N 1 0 336.396 -1.351 20 0 EAADRO C[C@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1C(=O)C(N)=O ZINC001012024089 672712836 /nfs/dbraw/zinc/71/28/36/672712836.db2.gz XHDPQLBCKBNHPF-CMPLNLGQSA-N 1 0 336.396 -1.351 20 0 EAADRO C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1C(=O)C(N)=O ZINC001012024090 672712912 /nfs/dbraw/zinc/71/29/12/672712912.db2.gz XHDPQLBCKBNHPF-JQWIXIFHSA-N 1 0 336.396 -1.351 20 0 EAADRO C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1C(=O)C(N)=O ZINC001012024092 672712921 /nfs/dbraw/zinc/71/29/21/672712921.db2.gz XHDPQLBCKBNHPF-ZYHUDNBSSA-N 1 0 336.396 -1.351 20 0 EAADRO 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20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001016439986 672892232 /nfs/dbraw/zinc/89/22/32/672892232.db2.gz ZUKHCLBVTOYHTO-NWDGAFQWSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001016439988 672892438 /nfs/dbraw/zinc/89/24/38/672892438.db2.gz ZUKHCLBVTOYHTO-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001016439991 672892309 /nfs/dbraw/zinc/89/23/09/672892309.db2.gz ZUKHCLBVTOYHTO-VXGBXAGGSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC001016496986 672893871 /nfs/dbraw/zinc/89/38/71/672893871.db2.gz DAMWYBLEDAJUKP-GFCCVEGCSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC001016496988 672893686 /nfs/dbraw/zinc/89/36/86/672893686.db2.gz DAMWYBLEDAJUKP-LBPRGKRZSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+](CCN1CCNC1=O)CC2 ZINC001016497879 672894388 /nfs/dbraw/zinc/89/43/88/672894388.db2.gz IASOEAXMHGSFGI-GFCCVEGCSA-N 1 0 348.411 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+](CCN1CCNC1=O)CC2 ZINC001016497881 672894458 /nfs/dbraw/zinc/89/44/58/672894458.db2.gz IASOEAXMHGSFGI-LBPRGKRZSA-N 1 0 348.411 -1.331 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC3(C[C@@H]3NC(=O)Cn3cnnn3)CC2)C1=O ZINC001016497983 672894492 /nfs/dbraw/zinc/89/44/92/672894492.db2.gz IXXHNURPVJLANJ-NEPJUHHUSA-N 1 0 333.396 -1.126 20 0 EAADRO CN1CC[C@H]([NH+]2CCC3(C[C@H]3NC(=O)Cn3cnnn3)CC2)C1=O ZINC001016497985 672894470 /nfs/dbraw/zinc/89/44/70/672894470.db2.gz IXXHNURPVJLANJ-NWDGAFQWSA-N 1 0 333.396 -1.126 20 0 EAADRO CN1CC[C@H]([NH+]2CCC3(C[C@@H]3NC(=O)Cn3cnnn3)CC2)C1=O ZINC001016497986 672894399 /nfs/dbraw/zinc/89/43/99/672894399.db2.gz IXXHNURPVJLANJ-RYUDHWBXSA-N 1 0 333.396 -1.126 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC3(C[C@H]3NC(=O)Cn3cnnn3)CC2)C1=O ZINC001016497988 672894271 /nfs/dbraw/zinc/89/42/71/672894271.db2.gz IXXHNURPVJLANJ-VXGBXAGGSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+](CC(=O)NC1CC1)CC2 ZINC001016498755 672894260 /nfs/dbraw/zinc/89/42/60/672894260.db2.gz LKZUPPFVOZDSBE-GFCCVEGCSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+](CC(=O)NC1CC1)CC2 ZINC001016498759 672894202 /nfs/dbraw/zinc/89/42/02/672894202.db2.gz LKZUPPFVOZDSBE-LBPRGKRZSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016500111 672894450 /nfs/dbraw/zinc/89/44/50/672894450.db2.gz SZZQDPFAOBOXKX-GFCCVEGCSA-N 1 0 331.384 -1.065 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016500114 672894418 /nfs/dbraw/zinc/89/44/18/672894418.db2.gz SZZQDPFAOBOXKX-LBPRGKRZSA-N 1 0 331.384 -1.065 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001016500788 672894151 /nfs/dbraw/zinc/89/41/51/672894151.db2.gz WMULQVFQNSZZKW-GHMZBOCLSA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001016500789 672894326 /nfs/dbraw/zinc/89/43/26/672894326.db2.gz WMULQVFQNSZZKW-MNOVXSKESA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001016500791 672894366 /nfs/dbraw/zinc/89/43/66/672894366.db2.gz WMULQVFQNSZZKW-QWRGUYRKSA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001016500792 672894454 /nfs/dbraw/zinc/89/44/54/672894454.db2.gz WMULQVFQNSZZKW-WDEREUQCSA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001016501304 672894484 /nfs/dbraw/zinc/89/44/84/672894484.db2.gz ZFDOZMUCLDANDI-NEPJUHHUSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001016501311 672894406 /nfs/dbraw/zinc/89/44/06/672894406.db2.gz ZFDOZMUCLDANDI-NWDGAFQWSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC12CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001016501318 672894308 /nfs/dbraw/zinc/89/43/08/672894308.db2.gz ZFDOZMUCLDANDI-RYUDHWBXSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC12CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001016501321 672894093 /nfs/dbraw/zinc/89/40/93/672894093.db2.gz ZFDOZMUCLDANDI-VXGBXAGGSA-N 1 0 333.396 -1.078 20 0 EAADRO CN(C(=O)Cn1ncnn1)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016547652 672896306 /nfs/dbraw/zinc/89/63/06/672896306.db2.gz OWCBJIYQIRTBQO-UHFFFAOYSA-N 1 0 333.396 -1.126 20 0 EAADRO CN(C(=O)c1cnn(CC[NH+](C)C)c1)C1CC(NC(=O)C(N)=O)C1 ZINC001016569358 672897175 /nfs/dbraw/zinc/89/71/75/672897175.db2.gz NURRCCFASYSLEZ-UHFFFAOYSA-N 1 0 336.396 -1.351 20 0 EAADRO CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC(NC(=O)C(N)=O)C1 ZINC001016571970 672897199 /nfs/dbraw/zinc/89/71/99/672897199.db2.gz KXTQQRTVRJMGGQ-UHFFFAOYSA-N 1 0 336.396 -1.351 20 0 EAADRO O=C(CN1CN=NC1=O)N[C@@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016582944 672897004 /nfs/dbraw/zinc/89/70/04/672897004.db2.gz BETSDFYHPHFFIE-GHMZBOCLSA-N 1 0 334.380 -1.157 20 0 EAADRO O=C(CN1CN=NC1=O)N[C@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016582945 672897087 /nfs/dbraw/zinc/89/70/87/672897087.db2.gz BETSDFYHPHFFIE-MNOVXSKESA-N 1 0 334.380 -1.157 20 0 EAADRO O=C(CN1CN=NC1=O)N[C@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016582946 672897116 /nfs/dbraw/zinc/89/71/16/672897116.db2.gz BETSDFYHPHFFIE-QWRGUYRKSA-N 1 0 334.380 -1.157 20 0 EAADRO O=C(CN1CN=NC1=O)N[C@@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016582947 672897091 /nfs/dbraw/zinc/89/70/91/672897091.db2.gz BETSDFYHPHFFIE-WDEREUQCSA-N 1 0 334.380 -1.157 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)nn1 ZINC001016616186 672897584 /nfs/dbraw/zinc/89/75/84/672897584.db2.gz ACDSLSUZEWVXOO-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO COCCn1cc(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)nn1 ZINC001016616188 672897706 /nfs/dbraw/zinc/89/77/06/672897706.db2.gz ACDSLSUZEWVXOO-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC001016620488 672898054 /nfs/dbraw/zinc/89/80/54/672898054.db2.gz KHQVAYJCTLSFSV-GFCCVEGCSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC001016620490 672898006 /nfs/dbraw/zinc/89/80/06/672898006.db2.gz KHQVAYJCTLSFSV-LBPRGKRZSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001016623726 672898028 /nfs/dbraw/zinc/89/80/28/672898028.db2.gz GCACHGPJGOJJPF-NEPJUHHUSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001016623728 672897961 /nfs/dbraw/zinc/89/79/61/672897961.db2.gz GCACHGPJGOJJPF-NWDGAFQWSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001016623742 672898095 /nfs/dbraw/zinc/89/80/95/672898095.db2.gz GCACHGPJGOJJPF-RYUDHWBXSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001016623744 672898072 /nfs/dbraw/zinc/89/80/72/672898072.db2.gz GCACHGPJGOJJPF-VXGBXAGGSA-N 1 0 333.396 -1.078 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC3(C[C@@H]3NC(=O)Cn3ncnn3)CC2)C1=O ZINC001016624457 672898046 /nfs/dbraw/zinc/89/80/46/672898046.db2.gz IZJNYSIHOLQUNL-NEPJUHHUSA-N 1 0 333.396 -1.126 20 0 EAADRO CN1CC[C@H]([NH+]2CCC3(C[C@H]3NC(=O)Cn3ncnn3)CC2)C1=O ZINC001016624459 672897968 /nfs/dbraw/zinc/89/79/68/672897968.db2.gz IZJNYSIHOLQUNL-NWDGAFQWSA-N 1 0 333.396 -1.126 20 0 EAADRO CN1CC[C@H]([NH+]2CCC3(C[C@@H]3NC(=O)Cn3ncnn3)CC2)C1=O ZINC001016624461 672898120 /nfs/dbraw/zinc/89/81/20/672898120.db2.gz IZJNYSIHOLQUNL-RYUDHWBXSA-N 1 0 333.396 -1.126 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC3(C[C@H]3NC(=O)Cn3ncnn3)CC2)C1=O ZINC001016624463 672897929 /nfs/dbraw/zinc/89/79/29/672897929.db2.gz IZJNYSIHOLQUNL-VXGBXAGGSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016624554 672897980 /nfs/dbraw/zinc/89/79/80/672897980.db2.gz KERJPAATKJTHBX-GFCCVEGCSA-N 1 0 331.384 -1.065 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016624557 672898018 /nfs/dbraw/zinc/89/80/18/672898018.db2.gz KERJPAATKJTHBX-LBPRGKRZSA-N 1 0 331.384 -1.065 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+](CC(=O)NC1CC1)CC2 ZINC001016625029 672897939 /nfs/dbraw/zinc/89/79/39/672897939.db2.gz LBNUYVPIUIKOPQ-GFCCVEGCSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+](CC(=O)NC1CC1)CC2 ZINC001016625030 672897900 /nfs/dbraw/zinc/89/79/00/672897900.db2.gz LBNUYVPIUIKOPQ-LBPRGKRZSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001016625453 672897918 /nfs/dbraw/zinc/89/79/18/672897918.db2.gz ONEFUWBWUVZIDT-GHMZBOCLSA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001016625457 672897935 /nfs/dbraw/zinc/89/79/35/672897935.db2.gz ONEFUWBWUVZIDT-MNOVXSKESA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001016625462 672897963 /nfs/dbraw/zinc/89/79/63/672897963.db2.gz ONEFUWBWUVZIDT-QWRGUYRKSA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001016625466 672898059 /nfs/dbraw/zinc/89/80/59/672898059.db2.gz ONEFUWBWUVZIDT-WDEREUQCSA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC12CC[NH+](CCN1CCNC1=O)CC2 ZINC001016626919 672898565 /nfs/dbraw/zinc/89/85/65/672898565.db2.gz YSVMUUAWRZEXRQ-GFCCVEGCSA-N 1 0 348.411 -1.331 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC12CC[NH+](CCN1CCNC1=O)CC2 ZINC001016626920 672898575 /nfs/dbraw/zinc/89/85/75/672898575.db2.gz YSVMUUAWRZEXRQ-LBPRGKRZSA-N 1 0 348.411 -1.331 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC23CC[NH+](CCCO)CC3)n1 ZINC001016630668 672898558 /nfs/dbraw/zinc/89/85/58/672898558.db2.gz HTVOBAHEISJMJK-LLVKDONJSA-N 1 0 336.396 -1.270 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC23CC[NH+](CCCO)CC3)n1 ZINC001016630670 672898475 /nfs/dbraw/zinc/89/84/75/672898475.db2.gz HTVOBAHEISJMJK-NSHDSACASA-N 1 0 336.396 -1.270 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630680 672898415 /nfs/dbraw/zinc/89/84/15/672898415.db2.gz IAYSZKVTCDINGC-GHMZBOCLSA-N 1 0 336.396 -1.272 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630681 672898365 /nfs/dbraw/zinc/89/83/65/672898365.db2.gz IAYSZKVTCDINGC-MNOVXSKESA-N 1 0 336.396 -1.272 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630682 672898528 /nfs/dbraw/zinc/89/85/28/672898528.db2.gz IAYSZKVTCDINGC-QWRGUYRKSA-N 1 0 336.396 -1.272 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630684 672898451 /nfs/dbraw/zinc/89/84/51/672898451.db2.gz IAYSZKVTCDINGC-WDEREUQCSA-N 1 0 336.396 -1.272 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630690 672898405 /nfs/dbraw/zinc/89/84/05/672898405.db2.gz IFLUMZHGZMZITC-NXEZZACHSA-N 1 0 349.395 -1.779 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630692 672898454 /nfs/dbraw/zinc/89/84/54/672898454.db2.gz IFLUMZHGZMZITC-UWVGGRQHSA-N 1 0 349.395 -1.779 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630694 672898382 /nfs/dbraw/zinc/89/83/82/672898382.db2.gz IFLUMZHGZMZITC-VHSXEESVSA-N 1 0 349.395 -1.779 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016630695 672898485 /nfs/dbraw/zinc/89/84/85/672898485.db2.gz IFLUMZHGZMZITC-ZJUUUORDSA-N 1 0 349.395 -1.779 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016631054 672898561 /nfs/dbraw/zinc/89/85/61/672898561.db2.gz MLLHAKYCDOVSPF-JTQLQIEISA-N 1 0 349.395 -1.906 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016631055 672898511 /nfs/dbraw/zinc/89/85/11/672898511.db2.gz MLLHAKYCDOVSPF-SNVBAGLBSA-N 1 0 349.395 -1.906 20 0 EAADRO COCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016631559 672898532 /nfs/dbraw/zinc/89/85/32/672898532.db2.gz UWFXNUYGSAUPLM-LLVKDONJSA-N 1 0 336.396 -1.006 20 0 EAADRO COCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016631560 672898439 /nfs/dbraw/zinc/89/84/39/672898439.db2.gz UWFXNUYGSAUPLM-NSHDSACASA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016631795 672898420 /nfs/dbraw/zinc/89/84/20/672898420.db2.gz ZAEPAJYDUWXCOB-SECBINFHSA-N 1 0 335.368 -2.167 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001016631796 672898391 /nfs/dbraw/zinc/89/83/91/672898391.db2.gz ZAEPAJYDUWXCOB-VIFPVBQESA-N 1 0 335.368 -2.167 20 0 EAADRO C[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2)N1C(=O)CCC1=O ZINC001016648121 672898893 /nfs/dbraw/zinc/89/88/93/672898893.db2.gz RMYQANBVSMEHCH-GHMZBOCLSA-N 1 0 336.392 -1.020 20 0 EAADRO C[C@H](C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2)N1C(=O)CCC1=O ZINC001016648122 672898849 /nfs/dbraw/zinc/89/88/49/672898849.db2.gz RMYQANBVSMEHCH-MNOVXSKESA-N 1 0 336.392 -1.020 20 0 EAADRO C[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2)N1C(=O)CCC1=O ZINC001016648124 672899026 /nfs/dbraw/zinc/89/90/26/672899026.db2.gz RMYQANBVSMEHCH-QWRGUYRKSA-N 1 0 336.392 -1.020 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2)N1C(=O)CCC1=O ZINC001016648125 672898833 /nfs/dbraw/zinc/89/88/33/672898833.db2.gz RMYQANBVSMEHCH-WDEREUQCSA-N 1 0 336.392 -1.020 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)c1=O ZINC001016651153 672899576 /nfs/dbraw/zinc/89/95/76/672899576.db2.gz DMBZPKOHYZXNSS-LLVKDONJSA-N 1 0 349.391 -1.997 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)c1=O ZINC001016651155 672899368 /nfs/dbraw/zinc/89/93/68/672899368.db2.gz DMBZPKOHYZXNSS-NSHDSACASA-N 1 0 349.391 -1.997 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016651257 672899323 /nfs/dbraw/zinc/89/93/23/672899323.db2.gz GHMKECQZTGGMSF-GFCCVEGCSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016651258 672899406 /nfs/dbraw/zinc/89/94/06/672899406.db2.gz GHMKECQZTGGMSF-LBPRGKRZSA-N 1 0 331.438 -1.015 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)c1=O ZINC001016651787 672899538 /nfs/dbraw/zinc/89/95/38/672899538.db2.gz KWUYIPGFQOWUSM-GFCCVEGCSA-N 1 0 336.392 -1.490 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC23CC[NH+](CCO)CC3)c1=O ZINC001016651789 672899268 /nfs/dbraw/zinc/89/92/68/672899268.db2.gz KWUYIPGFQOWUSM-LBPRGKRZSA-N 1 0 336.392 -1.490 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001016652027 672899354 /nfs/dbraw/zinc/89/93/54/672899354.db2.gz NLMXYCZVVDQUHF-LLVKDONJSA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001016652028 672899597 /nfs/dbraw/zinc/89/95/97/672899597.db2.gz NLMXYCZVVDQUHF-NSHDSACASA-N 1 0 344.437 -1.522 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCOCC2=O)CC1 ZINC001016661292 672899568 /nfs/dbraw/zinc/89/95/68/672899568.db2.gz KYEHKWYHOZSRJO-GFCCVEGCSA-N 1 0 338.408 -1.438 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCOCC2=O)CC1 ZINC001016661294 672899621 /nfs/dbraw/zinc/89/96/21/672899621.db2.gz KYEHKWYHOZSRJO-LBPRGKRZSA-N 1 0 338.408 -1.438 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCOCC2=O)CC1 ZINC001016662851 672899587 /nfs/dbraw/zinc/89/95/87/672899587.db2.gz UHKSNTFJDPASAA-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2CCOCC2=O)CC1 ZINC001016662852 672899603 /nfs/dbraw/zinc/89/96/03/672899603.db2.gz UHKSNTFJDPASAA-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCOCC2=O)CC1 ZINC001016662853 672899498 /nfs/dbraw/zinc/89/94/98/672899498.db2.gz UHKSNTFJDPASAA-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2CCOCC2=O)CC1 ZINC001016662854 672899273 /nfs/dbraw/zinc/89/92/73/672899273.db2.gz UHKSNTFJDPASAA-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001016665045 672899626 /nfs/dbraw/zinc/89/96/26/672899626.db2.gz VFFJTSFHZXPWEI-UWVGGRQHSA-N 1 0 337.380 -1.699 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001016665047 672899304 /nfs/dbraw/zinc/89/93/04/672899304.db2.gz VFFJTSFHZXPWEI-VHSXEESVSA-N 1 0 337.380 -1.699 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC23CC[NH+]([C@@H]2CCNC2=O)CC3)c1=O ZINC001016696928 672900528 /nfs/dbraw/zinc/90/05/28/672900528.db2.gz BBQFNMJUUWXSHL-NEPJUHHUSA-N 1 0 348.407 -1.559 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC23CC[NH+]([C@H]2CCNC2=O)CC3)c1=O ZINC001016696929 672900399 /nfs/dbraw/zinc/90/03/99/672900399.db2.gz BBQFNMJUUWXSHL-NWDGAFQWSA-N 1 0 348.407 -1.559 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC23CC[NH+]([C@H]2CCNC2=O)CC3)c1=O ZINC001016696930 672900426 /nfs/dbraw/zinc/90/04/26/672900426.db2.gz BBQFNMJUUWXSHL-RYUDHWBXSA-N 1 0 348.407 -1.559 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC23CC[NH+]([C@@H]2CCNC2=O)CC3)c1=O ZINC001016696931 672900498 /nfs/dbraw/zinc/90/04/98/672900498.db2.gz BBQFNMJUUWXSHL-VXGBXAGGSA-N 1 0 348.407 -1.559 20 0 EAADRO CN1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)CC1=O ZINC001016700429 672901039 /nfs/dbraw/zinc/90/10/39/672901039.db2.gz PDUDKJWXOOJSSC-GFCCVEGCSA-N 1 0 337.424 -1.784 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)CC1=O ZINC001016700430 672900845 /nfs/dbraw/zinc/90/08/45/672900845.db2.gz PDUDKJWXOOJSSC-LBPRGKRZSA-N 1 0 337.424 -1.784 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CC2CS(=O)(=O)C2)CC1 ZINC001016701222 672900769 /nfs/dbraw/zinc/90/07/69/672900769.db2.gz ULTDZTVDQTWWMM-LLVKDONJSA-N 1 0 329.422 -1.123 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CC2CS(=O)(=O)C2)CC1 ZINC001016701224 672900729 /nfs/dbraw/zinc/90/07/29/672900729.db2.gz ULTDZTVDQTWWMM-NSHDSACASA-N 1 0 329.422 -1.123 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001016701403 672900952 /nfs/dbraw/zinc/90/09/52/672900952.db2.gz XJCXXFKQMGWHFB-GHMZBOCLSA-N 1 0 336.396 -1.574 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001016701404 672900893 /nfs/dbraw/zinc/90/08/93/672900893.db2.gz XJCXXFKQMGWHFB-MNOVXSKESA-N 1 0 336.396 -1.574 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001016701405 672901076 /nfs/dbraw/zinc/90/10/76/672901076.db2.gz XJCXXFKQMGWHFB-QWRGUYRKSA-N 1 0 336.396 -1.574 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001016701406 672900788 /nfs/dbraw/zinc/90/07/88/672900788.db2.gz XJCXXFKQMGWHFB-WDEREUQCSA-N 1 0 336.396 -1.574 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001016701558 672900917 /nfs/dbraw/zinc/90/09/17/672900917.db2.gz YTVWNKJEKZQAGL-LLVKDONJSA-N 1 0 336.396 -1.702 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001016701559 672901085 /nfs/dbraw/zinc/90/10/85/672901085.db2.gz YTVWNKJEKZQAGL-NSHDSACASA-N 1 0 336.396 -1.702 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+](CCN1C(=O)CNC1=O)CC2)c1cn[nH]n1 ZINC001016711773 672900755 /nfs/dbraw/zinc/90/07/55/672900755.db2.gz YNIWQFGEZBWRLH-LLVKDONJSA-N 1 0 347.379 -1.059 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+](CCN1C(=O)CNC1=O)CC2)c1cn[nH]n1 ZINC001016711777 672900906 /nfs/dbraw/zinc/90/09/06/672900906.db2.gz YNIWQFGEZBWRLH-NSHDSACASA-N 1 0 347.379 -1.059 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016714505 672901030 /nfs/dbraw/zinc/90/10/30/672901030.db2.gz IOWCDJZIHFTJBP-LLVKDONJSA-N 1 0 349.391 -1.334 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016714506 672900991 /nfs/dbraw/zinc/90/09/91/672900991.db2.gz IOWCDJZIHFTJBP-NSHDSACASA-N 1 0 349.391 -1.334 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016715791 672900741 /nfs/dbraw/zinc/90/07/41/672900741.db2.gz QBUAKRPRORBZKG-JTQLQIEISA-N 1 0 335.364 -1.595 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016715799 672901021 /nfs/dbraw/zinc/90/10/21/672901021.db2.gz QBUAKRPRORBZKG-SNVBAGLBSA-N 1 0 335.364 -1.595 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016716198 672900797 /nfs/dbraw/zinc/90/07/97/672900797.db2.gz RNELAGGXAGJTIT-GHMZBOCLSA-N 1 0 349.391 -1.207 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016716199 672900808 /nfs/dbraw/zinc/90/08/08/672900808.db2.gz RNELAGGXAGJTIT-MNOVXSKESA-N 1 0 349.391 -1.207 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016716200 672900875 /nfs/dbraw/zinc/90/08/75/672900875.db2.gz RNELAGGXAGJTIT-QWRGUYRKSA-N 1 0 349.391 -1.207 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001016716201 672901329 /nfs/dbraw/zinc/90/13/29/672901329.db2.gz RNELAGGXAGJTIT-WDEREUQCSA-N 1 0 349.391 -1.207 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+](CCO)CC2)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001016736497 672901990 /nfs/dbraw/zinc/90/19/90/672901990.db2.gz OWSCSKNGGBZWMH-QWRGUYRKSA-N 1 0 345.421 -2.137 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+](CCO)CC2)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001016736498 672901945 /nfs/dbraw/zinc/90/19/45/672901945.db2.gz OWSCSKNGGBZWMH-WDEREUQCSA-N 1 0 345.421 -2.137 20 0 EAADRO CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001016736856 672902028 /nfs/dbraw/zinc/90/20/28/672902028.db2.gz SSWPTVZIVNKCRU-QWRGUYRKSA-N 1 0 329.422 -1.110 20 0 EAADRO CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001016736857 672901832 /nfs/dbraw/zinc/90/18/32/672901832.db2.gz SSWPTVZIVNKCRU-WDEREUQCSA-N 1 0 329.422 -1.110 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001016746497 672902478 /nfs/dbraw/zinc/90/24/78/672902478.db2.gz VMCBDCQSKRCZDH-NWDGAFQWSA-N 1 0 346.391 -1.179 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001016746498 672902471 /nfs/dbraw/zinc/90/24/71/672902471.db2.gz VMCBDCQSKRCZDH-RYUDHWBXSA-N 1 0 346.391 -1.179 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCNC(=O)C2)CC1 ZINC001016760711 672902721 /nfs/dbraw/zinc/90/27/21/672902721.db2.gz CICFTYSHJXXUNI-GFCCVEGCSA-N 1 0 337.424 -1.865 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCNC(=O)C2)CC1 ZINC001016760714 672902802 /nfs/dbraw/zinc/90/28/02/672902802.db2.gz CICFTYSHJXXUNI-LBPRGKRZSA-N 1 0 337.424 -1.865 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016761084 672902846 /nfs/dbraw/zinc/90/28/46/672902846.db2.gz GIIUFIDFCUJPHS-CHWSQXEVSA-N 1 0 349.435 -1.723 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016761088 672902771 /nfs/dbraw/zinc/90/27/71/672902771.db2.gz GIIUFIDFCUJPHS-OLZOCXBDSA-N 1 0 349.435 -1.723 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016761091 672902924 /nfs/dbraw/zinc/90/29/24/672902924.db2.gz GIIUFIDFCUJPHS-QWHCGFSZSA-N 1 0 349.435 -1.723 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016761093 672902930 /nfs/dbraw/zinc/90/29/30/672902930.db2.gz GIIUFIDFCUJPHS-STQMWFEESA-N 1 0 349.435 -1.723 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCNC(=O)C2)CC1 ZINC001016761774 672902935 /nfs/dbraw/zinc/90/29/35/672902935.db2.gz PGRTVEROMLTIKD-NEPJUHHUSA-N 1 0 337.424 -1.737 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2CCNC(=O)C2)CC1 ZINC001016761775 672902916 /nfs/dbraw/zinc/90/29/16/672902916.db2.gz PGRTVEROMLTIKD-NWDGAFQWSA-N 1 0 337.424 -1.737 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCNC(=O)C2)CC1 ZINC001016761776 672902614 /nfs/dbraw/zinc/90/26/14/672902614.db2.gz PGRTVEROMLTIKD-RYUDHWBXSA-N 1 0 337.424 -1.737 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2CCNC(=O)C2)CC1 ZINC001016761778 672902853 /nfs/dbraw/zinc/90/28/53/672902853.db2.gz PGRTVEROMLTIKD-VXGBXAGGSA-N 1 0 337.424 -1.737 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)c1=O ZINC001016762697 672902926 /nfs/dbraw/zinc/90/29/26/672902926.db2.gz HGLJSGXSGIVMAL-JTQLQIEISA-N 1 0 335.364 -1.445 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)c1=O ZINC001016762698 672902904 /nfs/dbraw/zinc/90/29/04/672902904.db2.gz HGLJSGXSGIVMAL-SNVBAGLBSA-N 1 0 335.364 -1.445 20 0 EAADRO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001016768175 672902922 /nfs/dbraw/zinc/90/29/22/672902922.db2.gz CLCJNGNKYSLHMW-HTAVTVPLSA-N 1 0 335.408 -1.131 20 0 EAADRO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001016768176 672902840 /nfs/dbraw/zinc/90/28/40/672902840.db2.gz CLCJNGNKYSLHMW-MCIGGMRASA-N 1 0 335.408 -1.131 20 0 EAADRO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NC(=O)Cn2ncnn2)C1 ZINC001016769035 672903243 /nfs/dbraw/zinc/90/32/43/672903243.db2.gz QJMQWELMYLNBHA-UHFFFAOYSA-N 1 0 333.396 -1.126 20 0 EAADRO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NC(=O)Cn2cnnn2)C1 ZINC001016769371 672903429 /nfs/dbraw/zinc/90/34/29/672903429.db2.gz WGDMWTACRRZGRO-UHFFFAOYSA-N 1 0 333.396 -1.126 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)n1 ZINC001016777529 672903364 /nfs/dbraw/zinc/90/33/64/672903364.db2.gz MNSOJJUSOQQXJF-LLVKDONJSA-N 1 0 348.411 -1.180 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)n1 ZINC001016777530 672903384 /nfs/dbraw/zinc/90/33/84/672903384.db2.gz MNSOJJUSOQQXJF-NSHDSACASA-N 1 0 348.411 -1.180 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC23CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)n1 ZINC001016777575 672903328 /nfs/dbraw/zinc/90/33/28/672903328.db2.gz NMUKLTDSFJRNTO-NXEZZACHSA-N 1 0 347.379 -1.400 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC23CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)n1 ZINC001016777576 672903307 /nfs/dbraw/zinc/90/33/07/672903307.db2.gz NMUKLTDSFJRNTO-UWVGGRQHSA-N 1 0 347.379 -1.400 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC23CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)n1 ZINC001016777759 672903419 /nfs/dbraw/zinc/90/34/19/672903419.db2.gz NMUKLTDSFJRNTO-VHSXEESVSA-N 1 0 347.379 -1.400 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC23CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)n1 ZINC001016777760 672903404 /nfs/dbraw/zinc/90/34/04/672903404.db2.gz NMUKLTDSFJRNTO-ZJUUUORDSA-N 1 0 347.379 -1.400 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NC1CCOCC1)CC2 ZINC001016798820 672903834 /nfs/dbraw/zinc/90/38/34/672903834.db2.gz DZYSQQURSJBLQD-GFCCVEGCSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC12CC[NH+](CC(=O)NC1CCOCC1)CC2 ZINC001016798821 672903791 /nfs/dbraw/zinc/90/37/91/672903791.db2.gz DZYSQQURSJBLQD-LBPRGKRZSA-N 1 0 338.408 -1.262 20 0 EAADRO CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC(NC(=O)C(N)=O)C1 ZINC001016800619 672903830 /nfs/dbraw/zinc/90/38/30/672903830.db2.gz NHODADNOAITEMT-IETLTJBPSA-N 1 0 336.392 -1.560 20 0 EAADRO CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC(NC(=O)C(N)=O)C1 ZINC001016800620 672903922 /nfs/dbraw/zinc/90/39/22/672903922.db2.gz NHODADNOAITEMT-UHUJKFBGSA-N 1 0 336.392 -1.560 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC12CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC001016801330 672904326 /nfs/dbraw/zinc/90/43/26/672904326.db2.gz VOBMOXSLVYWUPG-LLVKDONJSA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC12CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC001016801331 672904354 /nfs/dbraw/zinc/90/43/54/672904354.db2.gz VOBMOXSLVYWUPG-NSHDSACASA-N 1 0 344.437 -1.522 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)CCO1 ZINC001016801868 672904307 /nfs/dbraw/zinc/90/43/07/672904307.db2.gz BXCGIIJVENTBGR-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)C[NH+]2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)CCO1 ZINC001016801870 672904270 /nfs/dbraw/zinc/90/42/70/672904270.db2.gz BXCGIIJVENTBGR-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)C[NH+]2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)CCO1 ZINC001016801872 672904277 /nfs/dbraw/zinc/90/42/77/672904277.db2.gz BXCGIIJVENTBGR-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)CCO1 ZINC001016801874 672904359 /nfs/dbraw/zinc/90/43/59/672904359.db2.gz BXCGIIJVENTBGR-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001016802424 672904332 /nfs/dbraw/zinc/90/43/32/672904332.db2.gz GQSUWWCXSJJPHX-NEPJUHHUSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001016802425 672904288 /nfs/dbraw/zinc/90/42/88/672904288.db2.gz GQSUWWCXSJJPHX-NWDGAFQWSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001016802426 672904394 /nfs/dbraw/zinc/90/43/94/672904394.db2.gz GQSUWWCXSJJPHX-RYUDHWBXSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001016802427 672904617 /nfs/dbraw/zinc/90/46/17/672904617.db2.gz GQSUWWCXSJJPHX-VXGBXAGGSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@H]1CNC(=O)N1 ZINC001016802460 672904268 /nfs/dbraw/zinc/90/42/68/672904268.db2.gz HDNAGRLMJNRRIG-NEPJUHHUSA-N 1 0 333.396 -1.070 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@@H]1CNC(=O)N1 ZINC001016802461 672904590 /nfs/dbraw/zinc/90/45/90/672904590.db2.gz HDNAGRLMJNRRIG-NWDGAFQWSA-N 1 0 333.396 -1.070 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@@H]1CNC(=O)N1 ZINC001016802462 672904513 /nfs/dbraw/zinc/90/45/13/672904513.db2.gz HDNAGRLMJNRRIG-RYUDHWBXSA-N 1 0 333.396 -1.070 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@H]1CNC(=O)N1 ZINC001016802463 672904322 /nfs/dbraw/zinc/90/43/22/672904322.db2.gz HDNAGRLMJNRRIG-VXGBXAGGSA-N 1 0 333.396 -1.070 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC12CC[NH+](CCCN1C(=O)CNC1=O)CC2 ZINC001016802816 672904427 /nfs/dbraw/zinc/90/44/27/672904427.db2.gz GTMBZIBDMAFRLI-JTQLQIEISA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC12CC[NH+](CCCN1C(=O)CNC1=O)CC2 ZINC001016802817 672904412 /nfs/dbraw/zinc/90/44/12/672904412.db2.gz GTMBZIBDMAFRLI-SNVBAGLBSA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC12CC[NH+](C[C@H](O)CN1CCCC1=O)CC2 ZINC001016803526 672904631 /nfs/dbraw/zinc/90/46/31/672904631.db2.gz MOIVUVQJGBQZPW-NWDGAFQWSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC12CC[NH+](C[C@H](O)CN1CCCC1=O)CC2 ZINC001016803528 672904580 /nfs/dbraw/zinc/90/45/80/672904580.db2.gz MOIVUVQJGBQZPW-RYUDHWBXSA-N 1 0 338.408 -1.574 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001016804098 672904604 /nfs/dbraw/zinc/90/46/04/672904604.db2.gz VKCYELAKLNOTAH-NEPJUHHUSA-N 1 0 335.408 -1.083 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001016804100 672904572 /nfs/dbraw/zinc/90/45/72/672904572.db2.gz VKCYELAKLNOTAH-NWDGAFQWSA-N 1 0 335.408 -1.083 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001016804222 672904292 /nfs/dbraw/zinc/90/42/92/672904292.db2.gz VKCYELAKLNOTAH-RYUDHWBXSA-N 1 0 335.408 -1.083 20 0 EAADRO O=C(C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001016804223 672904335 /nfs/dbraw/zinc/90/43/35/672904335.db2.gz VKCYELAKLNOTAH-VXGBXAGGSA-N 1 0 335.408 -1.083 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC12CC[NH+](C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001016805341 672904866 /nfs/dbraw/zinc/90/48/66/672904866.db2.gz WKTFHDUTIOZQGE-GHMZBOCLSA-N 1 0 329.422 -1.123 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC12CC[NH+](C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001016805342 672904974 /nfs/dbraw/zinc/90/49/74/672904974.db2.gz WKTFHDUTIOZQGE-MNOVXSKESA-N 1 0 329.422 -1.123 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC12CC[NH+](C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001016805343 672904929 /nfs/dbraw/zinc/90/49/29/672904929.db2.gz WKTFHDUTIOZQGE-QWRGUYRKSA-N 1 0 329.422 -1.123 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC12CC[NH+](C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001016805344 672904845 /nfs/dbraw/zinc/90/48/45/672904845.db2.gz WKTFHDUTIOZQGE-WDEREUQCSA-N 1 0 329.422 -1.123 20 0 EAADRO Cn1c(C[NH+]2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)cc(=O)n(C)c1=O ZINC001016807873 672905059 /nfs/dbraw/zinc/90/50/59/672905059.db2.gz NXZCPQLWHGNSPH-LLVKDONJSA-N 1 0 349.391 -1.960 20 0 EAADRO Cn1c(C[NH+]2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)cc(=O)n(C)c1=O ZINC001016807875 672905123 /nfs/dbraw/zinc/90/51/23/672905123.db2.gz NXZCPQLWHGNSPH-NSHDSACASA-N 1 0 349.391 -1.960 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016822666 672904969 /nfs/dbraw/zinc/90/49/69/672904969.db2.gz HPSCCMYWKNKWED-JTQLQIEISA-N 1 0 343.409 -1.366 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016822668 672904810 /nfs/dbraw/zinc/90/48/10/672904810.db2.gz HPSCCMYWKNKWED-SNVBAGLBSA-N 1 0 343.409 -1.366 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001016836396 672906340 /nfs/dbraw/zinc/90/63/40/672906340.db2.gz WYFCPNKHSQNVRH-QJPTWQEYSA-N 1 0 338.408 -1.264 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001016836405 672906578 /nfs/dbraw/zinc/90/65/78/672906578.db2.gz WYFCPNKHSQNVRH-TUAOUCFPSA-N 1 0 338.408 -1.264 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)c(=O)n(C)c1=O ZINC001016854988 672906865 /nfs/dbraw/zinc/90/68/65/672906865.db2.gz DVQWXXFRIAEFLK-LLVKDONJSA-N 1 0 349.391 -1.846 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)c(=O)n(C)c1=O ZINC001016854989 672906792 /nfs/dbraw/zinc/90/67/92/672906792.db2.gz DVQWXXFRIAEFLK-NSHDSACASA-N 1 0 349.391 -1.846 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1=O ZINC001016855832 672906984 /nfs/dbraw/zinc/90/69/84/672906984.db2.gz MMODYSLWCOPXLK-JTQLQIEISA-N 1 0 338.364 -1.630 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1=O ZINC001016855833 672906839 /nfs/dbraw/zinc/90/68/39/672906839.db2.gz MMODYSLWCOPXLK-SNVBAGLBSA-N 1 0 338.364 -1.630 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016857824 672906725 /nfs/dbraw/zinc/90/67/25/672906725.db2.gz XPXLWNNWBBYBKT-CYBMUJFWSA-N 1 0 346.391 -1.146 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016857830 672906733 /nfs/dbraw/zinc/90/67/33/672906733.db2.gz XPXLWNNWBBYBKT-ZDUSSCGKSA-N 1 0 346.391 -1.146 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)c(=O)n(C)c1=O ZINC001016857909 672907000 /nfs/dbraw/zinc/90/70/00/672907000.db2.gz YKZJBHTVYOZBOX-GFCCVEGCSA-N 1 0 336.392 -1.339 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)c(=O)n(C)c1=O ZINC001016857911 672907047 /nfs/dbraw/zinc/90/70/47/672907047.db2.gz YKZJBHTVYOZBOX-LBPRGKRZSA-N 1 0 336.392 -1.339 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001016860799 672907025 /nfs/dbraw/zinc/90/70/25/672907025.db2.gz RHSGDMPCZYTYLG-UWVGGRQHSA-N 1 0 337.380 -1.699 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001016860801 672906951 /nfs/dbraw/zinc/90/69/51/672906951.db2.gz RHSGDMPCZYTYLG-VHSXEESVSA-N 1 0 337.380 -1.699 20 0 EAADRO CN1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)S1(=O)=O ZINC001016871684 672907893 /nfs/dbraw/zinc/90/78/93/672907893.db2.gz ATPQFGABAALOLB-GHMZBOCLSA-N 1 0 344.437 -1.524 20 0 EAADRO CN1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)S1(=O)=O ZINC001016871685 672907988 /nfs/dbraw/zinc/90/79/88/672907988.db2.gz ATPQFGABAALOLB-MNOVXSKESA-N 1 0 344.437 -1.524 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)S1(=O)=O ZINC001016871686 672908045 /nfs/dbraw/zinc/90/80/45/672908045.db2.gz ATPQFGABAALOLB-QWRGUYRKSA-N 1 0 344.437 -1.524 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)S1(=O)=O ZINC001016871687 672907818 /nfs/dbraw/zinc/90/78/18/672907818.db2.gz ATPQFGABAALOLB-WDEREUQCSA-N 1 0 344.437 -1.524 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001016872168 672907734 /nfs/dbraw/zinc/90/77/34/672907734.db2.gz HJDOSVIMGUNHLP-IAZHFHGHSA-N 1 0 349.391 -1.569 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001016872169 672907930 /nfs/dbraw/zinc/90/79/30/672907930.db2.gz HJDOSVIMGUNHLP-MAXPVNGDSA-N 1 0 349.391 -1.569 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+](CCO)CC2)C1CC2(C1)NC(=O)NC2=O ZINC001016874127 672907714 /nfs/dbraw/zinc/90/77/14/672907714.db2.gz UUMPNRVNBPMXQB-CSJGVYOVSA-N 1 0 336.392 -1.062 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+](CCO)CC2)C1CC2(C1)NC(=O)NC2=O ZINC001016874131 672907954 /nfs/dbraw/zinc/90/79/54/672907954.db2.gz UUMPNRVNBPMXQB-NOEPWBJOSA-N 1 0 336.392 -1.062 20 0 EAADRO CN1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)S1(=O)=O ZINC001016874274 672907802 /nfs/dbraw/zinc/90/78/02/672907802.db2.gz WCOXFYCAVZDVRZ-NEPJUHHUSA-N 1 0 331.438 -1.017 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)S1(=O)=O ZINC001016874275 672907757 /nfs/dbraw/zinc/90/77/57/672907757.db2.gz WCOXFYCAVZDVRZ-NWDGAFQWSA-N 1 0 331.438 -1.017 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)S1(=O)=O ZINC001016874276 672907857 /nfs/dbraw/zinc/90/78/57/672907857.db2.gz WCOXFYCAVZDVRZ-RYUDHWBXSA-N 1 0 331.438 -1.017 20 0 EAADRO CN1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)S1(=O)=O ZINC001016874277 672907977 /nfs/dbraw/zinc/90/79/77/672907977.db2.gz WCOXFYCAVZDVRZ-VXGBXAGGSA-N 1 0 331.438 -1.017 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2)C1CC(=O)NC(=O)C1 ZINC001016875606 672907724 /nfs/dbraw/zinc/90/77/24/672907724.db2.gz BBAKUOSTNKBXBQ-NEPJUHHUSA-N 1 0 348.403 -1.102 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2)C1CC(=O)NC(=O)C1 ZINC001016875620 672908022 /nfs/dbraw/zinc/90/80/22/672908022.db2.gz BBAKUOSTNKBXBQ-NWDGAFQWSA-N 1 0 348.403 -1.102 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2)C1CC(=O)NC(=O)C1 ZINC001016875623 672908008 /nfs/dbraw/zinc/90/80/08/672908008.db2.gz BBAKUOSTNKBXBQ-RYUDHWBXSA-N 1 0 348.403 -1.102 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2)C1CC(=O)NC(=O)C1 ZINC001016875626 672908061 /nfs/dbraw/zinc/90/80/61/672908061.db2.gz BBAKUOSTNKBXBQ-VXGBXAGGSA-N 1 0 348.403 -1.102 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001016878634 672907942 /nfs/dbraw/zinc/90/79/42/672907942.db2.gz WZJCKUYDSMGMJU-LLVKDONJSA-N 1 0 336.392 -1.244 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001016878635 672908051 /nfs/dbraw/zinc/90/80/51/672908051.db2.gz WZJCKUYDSMGMJU-NSHDSACASA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001016878650 672907885 /nfs/dbraw/zinc/90/78/85/672907885.db2.gz XJUFZAQYEKKWCJ-GXSJLCMTSA-N 1 0 336.392 -1.116 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001016878651 672907786 /nfs/dbraw/zinc/90/77/86/672907786.db2.gz XJUFZAQYEKKWCJ-KOLCDFICSA-N 1 0 336.392 -1.116 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001016878652 672907849 /nfs/dbraw/zinc/90/78/49/672907849.db2.gz XJUFZAQYEKKWCJ-MWLCHTKSSA-N 1 0 336.392 -1.116 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001016878653 672907899 /nfs/dbraw/zinc/90/78/99/672907899.db2.gz XJUFZAQYEKKWCJ-ONGXEEELSA-N 1 0 336.392 -1.116 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016878885 672907913 /nfs/dbraw/zinc/90/79/13/672907913.db2.gz ABAARNNSDAQILN-GHMZBOCLSA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016878886 672907694 /nfs/dbraw/zinc/90/76/94/672907694.db2.gz ABAARNNSDAQILN-MNOVXSKESA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016878887 672907747 /nfs/dbraw/zinc/90/77/47/672907747.db2.gz ABAARNNSDAQILN-QWRGUYRKSA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016878888 672907868 /nfs/dbraw/zinc/90/78/68/672907868.db2.gz ABAARNNSDAQILN-WDEREUQCSA-N 1 0 349.391 -1.603 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001016879091 672907766 /nfs/dbraw/zinc/90/77/66/672907766.db2.gz CCSZWLRNHLZTBM-JTQLQIEISA-N 1 0 337.380 -1.745 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001016879092 672907829 /nfs/dbraw/zinc/90/78/29/672907829.db2.gz CCSZWLRNHLZTBM-SNVBAGLBSA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001016879479 672908373 /nfs/dbraw/zinc/90/83/73/672908373.db2.gz FTEIKVSDCVRAKW-NXEZZACHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001016879481 672908425 /nfs/dbraw/zinc/90/84/25/672908425.db2.gz FTEIKVSDCVRAKW-UWVGGRQHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001016879482 672908443 /nfs/dbraw/zinc/90/84/43/672908443.db2.gz FTEIKVSDCVRAKW-VHSXEESVSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001016879484 672908341 /nfs/dbraw/zinc/90/83/41/672908341.db2.gz FTEIKVSDCVRAKW-ZJUUUORDSA-N 1 0 337.380 -1.617 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+](CCN1C(=O)CNC1=O)CC2)c1nnc[nH]1 ZINC001016888035 672909081 /nfs/dbraw/zinc/90/90/81/672909081.db2.gz PTDFFZSYEVAMBW-JTQLQIEISA-N 1 0 347.379 -1.059 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+](CCN1C(=O)CNC1=O)CC2)c1nnc[nH]1 ZINC001016888037 672909213 /nfs/dbraw/zinc/90/92/13/672909213.db2.gz PTDFFZSYEVAMBW-SNVBAGLBSA-N 1 0 347.379 -1.059 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001016920423 672909692 /nfs/dbraw/zinc/90/96/92/672909692.db2.gz UNTVSWSMAQEQOA-JTQLQIEISA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001016920426 672909782 /nfs/dbraw/zinc/90/97/82/672909782.db2.gz UNTVSWSMAQEQOA-SNVBAGLBSA-N 1 0 337.380 -1.616 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1=O ZINC001016925762 672909886 /nfs/dbraw/zinc/90/98/86/672909886.db2.gz KIBDPVGSJACUCZ-JTQLQIEISA-N 1 0 337.380 -1.664 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)C1=O ZINC001016925763 672909799 /nfs/dbraw/zinc/90/97/99/672909799.db2.gz KIBDPVGSJACUCZ-SNVBAGLBSA-N 1 0 337.380 -1.664 20 0 EAADRO O=C(N[C@@H]1CC12CC[NH+](CCO)CC2)c1cc(=O)n2[nH]cnc2n1 ZINC001016927409 672909581 /nfs/dbraw/zinc/90/95/81/672909581.db2.gz WCAVAVANYNWLGM-LLVKDONJSA-N 1 0 332.364 -1.006 20 0 EAADRO O=C(N[C@H]1CC12CC[NH+](CCO)CC2)c1cc(=O)n2[nH]cnc2n1 ZINC001016927412 672909831 /nfs/dbraw/zinc/90/98/31/672909831.db2.gz WCAVAVANYNWLGM-NSHDSACASA-N 1 0 332.364 -1.006 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001016927739 672909874 /nfs/dbraw/zinc/90/98/74/672909874.db2.gz ZQHLHFHMZMTVTH-JTQLQIEISA-N 1 0 345.363 -1.513 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001016927740 672909855 /nfs/dbraw/zinc/90/98/55/672909855.db2.gz ZQHLHFHMZMTVTH-SNVBAGLBSA-N 1 0 345.363 -1.513 20 0 EAADRO CN(C(=O)[C@H]1CNC(=O)N1)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016944093 672910669 /nfs/dbraw/zinc/91/06/69/672910669.db2.gz NYBDCUPHEGKXFC-HTAVTVPLSA-N 1 0 335.408 -1.131 20 0 EAADRO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016944096 672910622 /nfs/dbraw/zinc/91/06/22/672910622.db2.gz NYBDCUPHEGKXFC-MCIGGMRASA-N 1 0 335.408 -1.131 20 0 EAADRO CN(C(=O)C(N)=O)C1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001016947761 672911423 /nfs/dbraw/zinc/91/14/23/672911423.db2.gz DUKIWLRCWVPPCA-IETLTJBPSA-N 1 0 336.392 -1.560 20 0 EAADRO CN(C(=O)C(N)=O)C1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001016947763 672911588 /nfs/dbraw/zinc/91/15/88/672911588.db2.gz DUKIWLRCWVPPCA-UHUJKFBGSA-N 1 0 336.392 -1.560 20 0 EAADRO CN(C(=O)C(N)=O)C1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001016950267 672911382 /nfs/dbraw/zinc/91/13/82/672911382.db2.gz CLBBKNIQWLKERY-UHFFFAOYSA-N 1 0 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332.364 -1.355 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001016962982 672912449 /nfs/dbraw/zinc/91/24/49/672912449.db2.gz BSTTVORBJCOSQU-NXEZZACHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001016962983 672912529 /nfs/dbraw/zinc/91/25/29/672912529.db2.gz BSTTVORBJCOSQU-UWVGGRQHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001016962984 672912395 /nfs/dbraw/zinc/91/23/95/672912395.db2.gz BSTTVORBJCOSQU-VHSXEESVSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001016962985 672912534 /nfs/dbraw/zinc/91/25/34/672912534.db2.gz BSTTVORBJCOSQU-ZJUUUORDSA-N 1 0 337.380 -1.617 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001016963772 672912573 /nfs/dbraw/zinc/91/25/73/672912573.db2.gz OIXAXYKMVHZNGR-LLVKDONJSA-N 1 0 336.392 -1.148 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001016963773 672912485 /nfs/dbraw/zinc/91/24/85/672912485.db2.gz OIXAXYKMVHZNGR-NSHDSACASA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016963987 672912504 /nfs/dbraw/zinc/91/25/04/672912504.db2.gz UNAVYUYBGJFLDL-NEPJUHHUSA-N 1 0 348.403 -1.005 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016963988 672912308 /nfs/dbraw/zinc/91/23/08/672912308.db2.gz UNAVYUYBGJFLDL-NWDGAFQWSA-N 1 0 348.403 -1.005 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016963989 672912432 /nfs/dbraw/zinc/91/24/32/672912432.db2.gz UNAVYUYBGJFLDL-RYUDHWBXSA-N 1 0 348.403 -1.005 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001016963990 672912454 /nfs/dbraw/zinc/91/24/54/672912454.db2.gz UNAVYUYBGJFLDL-VXGBXAGGSA-N 1 0 348.403 -1.005 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001016964095 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IRLAKAAFPQHQFC-MNOVXSKESA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016964318 672913040 /nfs/dbraw/zinc/91/30/40/672913040.db2.gz IRLAKAAFPQHQFC-QWRGUYRKSA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001016964319 672913142 /nfs/dbraw/zinc/91/31/42/672913142.db2.gz IRLAKAAFPQHQFC-WDEREUQCSA-N 1 0 349.391 -1.603 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1=O ZINC001016966035 672913207 /nfs/dbraw/zinc/91/32/07/672913207.db2.gz UWBDMNBGJPPMQX-JTQLQIEISA-N 1 0 337.380 -1.664 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)C1=O ZINC001016966036 672913178 /nfs/dbraw/zinc/91/31/78/672913178.db2.gz UWBDMNBGJPPMQX-SNVBAGLBSA-N 1 0 337.380 -1.664 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2nccnc2C(N)=O)CC1 ZINC001016966461 672913033 /nfs/dbraw/zinc/91/30/33/672913033.db2.gz ZSTLYBYVBCGFGH-JTQLQIEISA-N 1 0 346.391 -1.094 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2nccnc2C(N)=O)CC1 ZINC001016966462 672912836 /nfs/dbraw/zinc/91/28/36/672912836.db2.gz ZSTLYBYVBCGFGH-SNVBAGLBSA-N 1 0 346.391 -1.094 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)c(=O)[nH]c1=O ZINC001016966593 672912953 /nfs/dbraw/zinc/91/29/53/672912953.db2.gz AKUWYJFQALCUOK-JTQLQIEISA-N 1 0 335.364 -1.445 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)c(=O)[nH]c1=O ZINC001016966594 672913223 /nfs/dbraw/zinc/91/32/23/672913223.db2.gz AKUWYJFQALCUOK-SNVBAGLBSA-N 1 0 335.364 -1.445 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001016968716 672913047 /nfs/dbraw/zinc/91/30/47/672913047.db2.gz PGJSFRRSZUDESF-LLVKDONJSA-N 1 0 349.391 -1.184 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001016968722 672913101 /nfs/dbraw/zinc/91/31/01/672913101.db2.gz PGJSFRRSZUDESF-NSHDSACASA-N 1 0 349.391 -1.184 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001016969300 672913151 /nfs/dbraw/zinc/91/31/51/672913151.db2.gz SFKODLYXRZMQGT-GXSJLCMTSA-N 1 0 349.391 -1.056 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001016969301 672912975 /nfs/dbraw/zinc/91/29/75/672912975.db2.gz SFKODLYXRZMQGT-KOLCDFICSA-N 1 0 349.391 -1.056 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001016969302 672913214 /nfs/dbraw/zinc/91/32/14/672913214.db2.gz SFKODLYXRZMQGT-MWLCHTKSSA-N 1 0 349.391 -1.056 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001016969303 672913195 /nfs/dbraw/zinc/91/31/95/672913195.db2.gz SFKODLYXRZMQGT-ONGXEEELSA-N 1 0 349.391 -1.056 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016972531 672912914 /nfs/dbraw/zinc/91/29/14/672912914.db2.gz ULTIZWDWQAKPEU-CYBMUJFWSA-N 1 0 345.465 -1.320 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016972532 672913175 /nfs/dbraw/zinc/91/31/75/672913175.db2.gz ULTIZWDWQAKPEU-ZDUSSCGKSA-N 1 0 345.465 -1.320 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001016978622 672913183 /nfs/dbraw/zinc/91/31/83/672913183.db2.gz JNONLFPRAUSEPM-GHMZBOCLSA-N 1 0 344.437 -1.605 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001016978623 672913189 /nfs/dbraw/zinc/91/31/89/672913189.db2.gz JNONLFPRAUSEPM-MNOVXSKESA-N 1 0 344.437 -1.605 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001016978624 672913015 /nfs/dbraw/zinc/91/30/15/672913015.db2.gz JNONLFPRAUSEPM-QWRGUYRKSA-N 1 0 344.437 -1.605 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001016978625 672913093 /nfs/dbraw/zinc/91/30/93/672913093.db2.gz JNONLFPRAUSEPM-WDEREUQCSA-N 1 0 344.437 -1.605 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001016979904 672913113 /nfs/dbraw/zinc/91/31/13/672913113.db2.gz UXDWLEJLVUTUBT-NXEZZACHSA-N 1 0 330.410 -1.866 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001016979905 672912880 /nfs/dbraw/zinc/91/28/80/672912880.db2.gz UXDWLEJLVUTUBT-UWVGGRQHSA-N 1 0 330.410 -1.866 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001016979906 672913157 /nfs/dbraw/zinc/91/31/57/672913157.db2.gz UXDWLEJLVUTUBT-VHSXEESVSA-N 1 0 330.410 -1.866 20 0 EAADRO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001016979907 672913149 /nfs/dbraw/zinc/91/31/49/672913149.db2.gz UXDWLEJLVUTUBT-ZJUUUORDSA-N 1 0 330.410 -1.866 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC23CC[NH+](CCCO)CC3)nn1 ZINC001016984575 672913173 /nfs/dbraw/zinc/91/31/73/672913173.db2.gz FHDMPBMGUQBVPW-GFCCVEGCSA-N 1 0 336.396 -1.270 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC23CC[NH+](CCCO)CC3)nn1 ZINC001016984576 672913107 /nfs/dbraw/zinc/91/31/07/672913107.db2.gz FHDMPBMGUQBVPW-LBPRGKRZSA-N 1 0 336.396 -1.270 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985150 672913072 /nfs/dbraw/zinc/91/30/72/672913072.db2.gz JUDRQRGTACDFAO-LLVKDONJSA-N 1 0 349.395 -1.906 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985154 672912958 /nfs/dbraw/zinc/91/29/58/672912958.db2.gz JUDRQRGTACDFAO-NSHDSACASA-N 1 0 349.395 -1.906 20 0 EAADRO COCC[NH+]1CCC2(C[C@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985931 672912969 /nfs/dbraw/zinc/91/29/69/672912969.db2.gz MUKJESWMBGJSFM-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO COCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985932 672913155 /nfs/dbraw/zinc/91/31/55/672913155.db2.gz MUKJESWMBGJSFM-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985933 672912864 /nfs/dbraw/zinc/91/28/64/672912864.db2.gz MXOJLAJGRYUIGB-CMPLNLGQSA-N 1 0 336.396 -1.272 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985934 672913204 /nfs/dbraw/zinc/91/32/04/672913204.db2.gz MXOJLAJGRYUIGB-JQWIXIFHSA-N 1 0 336.396 -1.272 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985935 672912993 /nfs/dbraw/zinc/91/29/93/672912993.db2.gz MXOJLAJGRYUIGB-PWSUYJOCSA-N 1 0 336.396 -1.272 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016985936 672913088 /nfs/dbraw/zinc/91/30/88/672913088.db2.gz MXOJLAJGRYUIGB-ZYHUDNBSSA-N 1 0 336.396 -1.272 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016986156 672912904 /nfs/dbraw/zinc/91/29/04/672912904.db2.gz MODABECCXWLLPK-CHWSQXEVSA-N 1 0 338.408 -1.310 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016986157 672913469 /nfs/dbraw/zinc/91/34/69/672913469.db2.gz MODABECCXWLLPK-OLZOCXBDSA-N 1 0 338.408 -1.310 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016986158 672913681 /nfs/dbraw/zinc/91/36/81/672913681.db2.gz MODABECCXWLLPK-QWHCGFSZSA-N 1 0 338.408 -1.310 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016986159 672913694 /nfs/dbraw/zinc/91/36/94/672913694.db2.gz MODABECCXWLLPK-STQMWFEESA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)nn1 ZINC001016987160 672913575 /nfs/dbraw/zinc/91/35/75/672913575.db2.gz WLLOFBSHLYGUKQ-JTQLQIEISA-N 1 0 335.368 -2.167 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)nn1 ZINC001016987161 672913523 /nfs/dbraw/zinc/91/35/23/672913523.db2.gz WLLOFBSHLYGUKQ-SNVBAGLBSA-N 1 0 335.368 -2.167 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016987698 672913565 /nfs/dbraw/zinc/91/35/65/672913565.db2.gz ZBIQUZIYHZLBIY-GXSJLCMTSA-N 1 0 349.395 -1.779 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016987699 672913529 /nfs/dbraw/zinc/91/35/29/672913529.db2.gz ZBIQUZIYHZLBIY-KOLCDFICSA-N 1 0 349.395 -1.779 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016987700 672913590 /nfs/dbraw/zinc/91/35/90/672913590.db2.gz ZBIQUZIYHZLBIY-MWLCHTKSSA-N 1 0 349.395 -1.779 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001016987701 672913730 /nfs/dbraw/zinc/91/37/30/672913730.db2.gz ZBIQUZIYHZLBIY-ONGXEEELSA-N 1 0 349.395 -1.779 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001017004516 672913600 /nfs/dbraw/zinc/91/36/00/672913600.db2.gz SKDDTVQOVHNPOM-GHMZBOCLSA-N 1 0 336.392 -1.244 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001017004518 672913490 /nfs/dbraw/zinc/91/34/90/672913490.db2.gz SKDDTVQOVHNPOM-MNOVXSKESA-N 1 0 336.392 -1.244 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001017004520 672913534 /nfs/dbraw/zinc/91/35/34/672913534.db2.gz SKDDTVQOVHNPOM-QWRGUYRKSA-N 1 0 336.392 -1.244 20 0 EAADRO CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001017004521 672913452 /nfs/dbraw/zinc/91/34/52/672913452.db2.gz SKDDTVQOVHNPOM-WDEREUQCSA-N 1 0 336.392 -1.244 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@H]2CCCN(C(=O)Cn3cnnn3)C2)nc1=O ZINC001017041081 672914246 /nfs/dbraw/zinc/91/42/46/672914246.db2.gz WWIKCWQRBZKRAG-LLVKDONJSA-N 1 0 349.399 -1.535 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)nc1=O ZINC001017041083 672914076 /nfs/dbraw/zinc/91/40/76/672914076.db2.gz WWIKCWQRBZKRAG-NSHDSACASA-N 1 0 349.399 -1.535 20 0 EAADRO C[N@H+](C[C@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@H]1CCC(=O)NC1=O ZINC001017041421 672913979 /nfs/dbraw/zinc/91/39/79/672913979.db2.gz BNBZUDRYYGJKHG-NEPJUHHUSA-N 1 0 349.395 -1.351 20 0 EAADRO C[N@H+](C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC001017041423 672913957 /nfs/dbraw/zinc/91/39/57/672913957.db2.gz BNBZUDRYYGJKHG-NWDGAFQWSA-N 1 0 349.395 -1.351 20 0 EAADRO C[N@H+](C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@H]1CCC(=O)NC1=O ZINC001017041426 672913941 /nfs/dbraw/zinc/91/39/41/672913941.db2.gz BNBZUDRYYGJKHG-RYUDHWBXSA-N 1 0 349.395 -1.351 20 0 EAADRO C[N@H+](C[C@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC001017041431 672913930 /nfs/dbraw/zinc/91/39/30/672913930.db2.gz BNBZUDRYYGJKHG-VXGBXAGGSA-N 1 0 349.395 -1.351 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@H]2CCCN(C(=O)Cn3ncnn3)C2)nc1=O ZINC001017130682 672393787 /nfs/dbraw/zinc/39/37/87/672393787.db2.gz UHVCPPCJVBAOIJ-LLVKDONJSA-N 1 0 349.399 -1.535 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)nc1=O ZINC001017130683 672393860 /nfs/dbraw/zinc/39/38/60/672393860.db2.gz UHVCPPCJVBAOIJ-NSHDSACASA-N 1 0 349.399 -1.535 20 0 EAADRO C[N@H+](C[C@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@H]1CCC(=O)NC1=O ZINC001017131169 672916205 /nfs/dbraw/zinc/91/62/05/672916205.db2.gz ZOFDYGIVDKSHKB-NEPJUHHUSA-N 1 0 349.395 -1.351 20 0 EAADRO C[N@H+](C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC001017131170 672916034 /nfs/dbraw/zinc/91/60/34/672916034.db2.gz ZOFDYGIVDKSHKB-NWDGAFQWSA-N 1 0 349.395 -1.351 20 0 EAADRO C[N@H+](C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@H]1CCC(=O)NC1=O ZINC001017131171 672916297 /nfs/dbraw/zinc/91/62/97/672916297.db2.gz ZOFDYGIVDKSHKB-RYUDHWBXSA-N 1 0 349.395 -1.351 20 0 EAADRO C[N@H+](C[C@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC001017131172 672916195 /nfs/dbraw/zinc/91/61/95/672916195.db2.gz ZOFDYGIVDKSHKB-VXGBXAGGSA-N 1 0 349.395 -1.351 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001017183188 672916843 /nfs/dbraw/zinc/91/68/43/672916843.db2.gz CCVNKAVSNVTPRA-JTQLQIEISA-N 1 0 349.399 -1.384 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001017183189 672916814 /nfs/dbraw/zinc/91/68/14/672916814.db2.gz CCVNKAVSNVTPRA-SNVBAGLBSA-N 1 0 349.399 -1.384 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](C[N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001017186623 672916502 /nfs/dbraw/zinc/91/65/02/672916502.db2.gz XSGTYFUEEOAFSU-GHMZBOCLSA-N 1 0 349.395 -1.201 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](C[N@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC001017186648 672916465 /nfs/dbraw/zinc/91/64/65/672916465.db2.gz XSGTYFUEEOAFSU-MNOVXSKESA-N 1 0 349.395 -1.201 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC001017186650 672916536 /nfs/dbraw/zinc/91/65/36/672916536.db2.gz XSGTYFUEEOAFSU-QWRGUYRKSA-N 1 0 349.395 -1.201 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001017186652 672916827 /nfs/dbraw/zinc/91/68/27/672916827.db2.gz XSGTYFUEEOAFSU-WDEREUQCSA-N 1 0 349.395 -1.201 20 0 EAADRO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1CN(CCN1C(=O)CCC1=O)C2 ZINC001017339819 672917613 /nfs/dbraw/zinc/91/76/13/672917613.db2.gz AOODEUZMPFPETB-TXEJJXNPSA-N 1 0 347.379 -1.503 20 0 EAADRO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1CN(CCN1CCCC1=O)C2 ZINC001017340473 672917651 /nfs/dbraw/zinc/91/76/51/672917651.db2.gz JCXIDIRRDGYTLJ-BETUJISGSA-N 1 0 333.396 -1.029 20 0 EAADRO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1CN(CCN1C(=O)CNC1=O)C2 ZINC001017340474 672917566 /nfs/dbraw/zinc/91/75/66/672917566.db2.gz JDILXPFILMNAPY-PHIMTYICSA-N 1 0 348.367 -2.100 20 0 EAADRO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001017340478 672917764 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CN1CCO[C@@H](C(=O)NCC2=CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001017356286 672918188 /nfs/dbraw/zinc/91/81/88/672918188.db2.gz DMZCNCBKBSMGKI-CQSZACIVSA-N 1 0 348.407 -1.116 20 0 EAADRO Cn1nnc(C(=O)N2CC=C(CNC(=O)[C@H]3CN(C)CCO3)CC2)n1 ZINC001017356489 672918193 /nfs/dbraw/zinc/91/81/93/672918193.db2.gz HXUYTOLNCIRHJH-GFCCVEGCSA-N 1 0 349.395 -1.571 20 0 EAADRO Cn1nnc(C(=O)N2CC=C(CNC(=O)[C@@H]3CN(C)CCO3)CC2)n1 ZINC001017356490 672918064 /nfs/dbraw/zinc/91/80/64/672918064.db2.gz HXUYTOLNCIRHJH-LBPRGKRZSA-N 1 0 349.395 -1.571 20 0 EAADRO CN1CCO[C@@H](C(=O)NCC2=CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001017356535 672918203 /nfs/dbraw/zinc/91/82/03/672918203.db2.gz IWTDDTSPCAJOIN-CYBMUJFWSA-N 1 0 348.407 -1.047 20 0 EAADRO CN1CCO[C@H](C(=O)NCC2=CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001017356537 672918175 /nfs/dbraw/zinc/91/81/75/672918175.db2.gz IWTDDTSPCAJOIN-ZDUSSCGKSA-N 1 0 348.407 -1.047 20 0 EAADRO CN1CCO[C@H](C(=O)NCC2=CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001017357077 672918155 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COCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001018388726 672950106 /nfs/dbraw/zinc/95/01/06/672950106.db2.gz PAAIBOVEBISUSR-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)C2CCOCC2)C1)N1CCNC(=O)C1 ZINC001018404818 672950698 /nfs/dbraw/zinc/95/06/98/672950698.db2.gz MYRBGNNDXBKUAL-ZDUSSCGKSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)N1CCNC(=O)C1 ZINC001018412565 672950808 /nfs/dbraw/zinc/95/08/08/672950808.db2.gz KYXZVLBWQCVPTH-ZDUSSCGKSA-N 1 0 331.376 -1.156 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)N1CCNC(=O)C1 ZINC001018417724 672950572 /nfs/dbraw/zinc/95/05/72/672950572.db2.gz TZGJHHYPKBSUHC-ZDUSSCGKSA-N 1 0 331.376 -1.156 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccccn2)C1)N1CCNC(=O)C1 ZINC001018418701 672950681 /nfs/dbraw/zinc/95/06/81/672950681.db2.gz PJTLNDRJFTWNCM-LBPRGKRZSA-N 1 0 331.376 -1.156 20 0 EAADRO Cn1c(C[NH2+][C@H]2CCN(C(=O)c3cnccn3)C2)cc(=O)n(C)c1=O ZINC001018434208 672951043 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336.392 -1.052 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001018481100 672951898 /nfs/dbraw/zinc/95/18/98/672951898.db2.gz IOUYWDMZHVXRJH-NSHDSACASA-N 1 0 348.415 -1.152 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)CCO1 ZINC001018481286 672951810 /nfs/dbraw/zinc/95/18/10/672951810.db2.gz IXUBIQFMFRCINL-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)CCO1 ZINC001018481287 672951602 /nfs/dbraw/zinc/95/16/02/672951602.db2.gz IXUBIQFMFRCINL-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001018481436 672951626 /nfs/dbraw/zinc/95/16/26/672951626.db2.gz LGHBRUYMFOWVLN-NEPJUHHUSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001018481437 672951822 /nfs/dbraw/zinc/95/18/22/672951822.db2.gz LGHBRUYMFOWVLN-RYUDHWBXSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 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1 0 328.398 -1.702 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018482799 672951817 /nfs/dbraw/zinc/95/18/17/672951817.db2.gz UUWIAEKUROPMNM-NSHDSACASA-N 1 0 343.413 -2.101 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cc(=O)n(C)c(=O)n3C)C2)cn1 ZINC001018483178 672951552 /nfs/dbraw/zinc/95/15/52/672951552.db2.gz NXHGINPDWHOUIZ-LBPRGKRZSA-N 1 0 346.391 -1.178 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001018483231 672951676 /nfs/dbraw/zinc/95/16/76/672951676.db2.gz YWYLQJMCRDKMDT-JTQLQIEISA-N 1 0 343.351 -1.600 20 0 EAADRO O=C(CN1CCCC1=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001018485774 672951751 /nfs/dbraw/zinc/95/17/51/672951751.db2.gz SCSBIFHGTKLTCK-ZDUSSCGKSA-N 1 0 338.408 -1.342 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)n(C)c1=O ZINC001018486205 672951855 /nfs/dbraw/zinc/95/18/55/672951855.db2.gz XZQYYTDAIDPZTH-JTQLQIEISA-N 1 0 348.367 -2.539 20 0 EAADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)on1 ZINC001018495162 672951880 /nfs/dbraw/zinc/95/18/80/672951880.db2.gz XMVQOADEIVGFPN-NSHDSACASA-N 1 0 335.364 -1.254 20 0 EAADRO O=C(Cn1cccn1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018504610 672951686 /nfs/dbraw/zinc/95/16/86/672951686.db2.gz STFOYAWYNITKNG-LBPRGKRZSA-N 1 0 334.380 -1.968 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2CCN(C(=O)Cn3cccn3)C2)n(C)c1=O ZINC001018505418 672951769 /nfs/dbraw/zinc/95/17/69/672951769.db2.gz CQKOGXULXFLRJU-LBPRGKRZSA-N 1 0 346.391 -1.329 20 0 EAADRO O=C(CCn1cncn1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018511094 672952243 /nfs/dbraw/zinc/95/22/43/672952243.db2.gz DCKGPSMDPNBPBV-NSHDSACASA-N 1 0 335.368 -1.590 20 0 EAADRO Cn1cccc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018513837 672952155 /nfs/dbraw/zinc/95/21/55/672952155.db2.gz SEXNGHOJKHKTPA-LBPRGKRZSA-N 1 0 333.392 -1.212 20 0 EAADRO Cc1c(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)cnn1C ZINC001018515036 672952229 /nfs/dbraw/zinc/95/22/29/672952229.db2.gz FQWPJXONLHQSCL-LBPRGKRZSA-N 1 0 348.407 -1.509 20 0 EAADRO O=C(CCn1cncn1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018515741 672952141 /nfs/dbraw/zinc/95/21/41/672952141.db2.gz BTQNSUSPGLVHFP-LBPRGKRZSA-N 1 0 349.395 -2.183 20 0 EAADRO O=C(CCn1cncn1)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001018517587 672952267 /nfs/dbraw/zinc/95/22/67/672952267.db2.gz MNPUEEXKSUZEBB-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO CCc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)[nH]n1 ZINC001018532475 672952294 /nfs/dbraw/zinc/95/22/94/672952294.db2.gz ZYKTYBHNHQZXQG-LBPRGKRZSA-N 1 0 348.407 -1.265 20 0 EAADRO O=C(CCn1cccn1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018532525 672952320 /nfs/dbraw/zinc/95/23/20/672952320.db2.gz AOBJMKZWAYXUJQ-ZDUSSCGKSA-N 1 0 348.407 -1.578 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]n3)C2)n(C)c1=O ZINC001018538753 672952290 /nfs/dbraw/zinc/95/22/90/672952290.db2.gz BRBNAMCOHUVUMK-JTQLQIEISA-N 1 0 332.364 -1.189 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3cc[nH]n3)C2)CC1 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ZINC001018763997 672958091 /nfs/dbraw/zinc/95/80/91/672958091.db2.gz UWPKRTVKDUYADE-LBPRGKRZSA-N 1 0 333.396 -1.172 20 0 EAADRO Cn1oc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)cc1=O ZINC001018764632 672957919 /nfs/dbraw/zinc/95/79/19/672957919.db2.gz RVXLGXCTLRDAOJ-JTQLQIEISA-N 1 0 336.348 -1.069 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)Cn4cnnn4)C3)C2)C1 ZINC001018765290 672958456 /nfs/dbraw/zinc/95/84/56/672958456.db2.gz LPGRMGZMEDMJQC-GFCCVEGCSA-N 1 0 333.396 -1.314 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)Cn4cnnn4)C3)C2)C1 ZINC001018765291 672958499 /nfs/dbraw/zinc/95/84/99/672958499.db2.gz LPGRMGZMEDMJQC-LBPRGKRZSA-N 1 0 333.396 -1.314 20 0 EAADRO O=C(Cn1cnnn1)N1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001018765493 672958512 /nfs/dbraw/zinc/95/85/12/672958512.db2.gz OSKLCULZRWWOHT-UHFFFAOYSA-N 1 0 333.396 -1.170 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001018769775 672958590 /nfs/dbraw/zinc/95/85/90/672958590.db2.gz WWMYSXLCXXEYSE-AWEZNQCLSA-N 1 0 338.408 -1.486 20 0 EAADRO O=C(CCn1ccnn1)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001018770118 672958518 /nfs/dbraw/zinc/95/85/18/672958518.db2.gz ASXLPBYUAHBZJO-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001018770249 672958384 /nfs/dbraw/zinc/95/83/84/672958384.db2.gz DCTHJYZKWUQNHW-LBPRGKRZSA-N 1 0 337.380 -1.793 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001018770287 672958546 /nfs/dbraw/zinc/95/85/46/672958546.db2.gz DRDOHYCDUOKHNQ-ZDUSSCGKSA-N 1 0 336.392 -1.196 20 0 EAADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)cnn1 ZINC001018770721 672958465 /nfs/dbraw/zinc/95/84/65/672958465.db2.gz MBXXIOLZUMFZFY-ZDUSSCGKSA-N 1 0 346.391 -1.452 20 0 EAADRO O=C(CCn1ccnn1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018770781 672958858 /nfs/dbraw/zinc/95/88/58/672958858.db2.gz MCPGTOHLIATDFU-LBPRGKRZSA-N 1 0 349.395 -2.183 20 0 EAADRO O=C(CCn1ccnn1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018771640 672958957 /nfs/dbraw/zinc/95/89/57/672958957.db2.gz VDUDLCLPFWMJQJ-NSHDSACASA-N 1 0 335.368 -1.590 20 0 EAADRO Cn1oc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)cc1=O ZINC001018775155 672958911 /nfs/dbraw/zinc/95/89/11/672958911.db2.gz VGGWGEJIWCFYCF-NSHDSACASA-N 1 0 338.364 -1.359 20 0 EAADRO Cn1oc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)cc1=O ZINC001018776345 672958866 /nfs/dbraw/zinc/95/88/66/672958866.db2.gz ROOZHJNVKROFRX-VIFPVBQESA-N 1 0 337.336 -1.666 20 0 EAADRO O=C(Cc1cncnc1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018777986 672958788 /nfs/dbraw/zinc/95/87/88/672958788.db2.gz YVDNAOJNOYXDPN-ZDUSSCGKSA-N 1 0 346.391 -1.832 20 0 EAADRO O=C(Cc1cncnc1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018778044 672958901 /nfs/dbraw/zinc/95/89/01/672958901.db2.gz ATZWEOFJZFOPPZ-LBPRGKRZSA-N 1 0 332.364 -1.239 20 0 EAADRO Cn1nccc1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018778056 672958831 /nfs/dbraw/zinc/95/88/31/672958831.db2.gz BRLMVGQEVLGDHB-LBPRGKRZSA-N 1 0 348.407 -1.889 20 0 EAADRO Cn1nccc1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018778086 672958928 /nfs/dbraw/zinc/95/89/28/672958928.db2.gz CZVSEMWKUYJYIB-NSHDSACASA-N 1 0 334.380 -1.295 20 0 EAADRO CCn1ccnc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018779313 672958838 /nfs/dbraw/zinc/95/88/38/672958838.db2.gz CPHUFQPQVMLCDW-LBPRGKRZSA-N 1 0 348.407 -1.335 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2CCN(C(=O)CC(C)(C)O)C2)n(C)c1=O ZINC001018781820 672958892 /nfs/dbraw/zinc/95/88/92/672958892.db2.gz PSBKMYUFFSJRFD-NSHDSACASA-N 1 0 338.408 -1.065 20 0 EAADRO O=C(CCc1ncc[nH]1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018783180 672959023 /nfs/dbraw/zinc/95/90/23/672959023.db2.gz KOWJKUVQBHBKPR-LBPRGKRZSA-N 1 0 348.407 -1.509 20 0 EAADRO CC(C)(O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018786482 672958987 /nfs/dbraw/zinc/95/89/87/672958987.db2.gz RJJZPDGSOSCAME-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO Cc1ccnc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001018786842 672958972 /nfs/dbraw/zinc/95/89/72/672958972.db2.gz ASPVLRDZLAMPIT-LBPRGKRZSA-N 1 0 346.391 -1.452 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018788327 672958986 /nfs/dbraw/zinc/95/89/86/672958986.db2.gz WICQGGMVUHJONN-DTWKUNHWSA-N 1 0 325.325 -2.163 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018788328 672958966 /nfs/dbraw/zinc/95/89/66/672958966.db2.gz WICQGGMVUHJONN-IUCAKERBSA-N 1 0 325.325 -2.163 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)N1CCOCC1 ZINC001018792007 672959345 /nfs/dbraw/zinc/95/93/45/672959345.db2.gz DGFSPBBGERDVCH-QWRGUYRKSA-N 1 0 326.353 -1.856 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)N1CCOCC1 ZINC001018792008 672959300 /nfs/dbraw/zinc/95/93/00/672959300.db2.gz DGFSPBBGERDVCH-WDEREUQCSA-N 1 0 326.353 -1.856 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001018792236 672959543 /nfs/dbraw/zinc/95/95/43/672959543.db2.gz HZPPPKPEYCACQO-JTQLQIEISA-N 1 0 347.379 -1.783 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018792346 672959490 /nfs/dbraw/zinc/95/94/90/672959490.db2.gz JEUCVMLJSCZWCF-QWRGUYRKSA-N 1 0 346.409 -1.679 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018792349 672959595 /nfs/dbraw/zinc/95/95/95/672959595.db2.gz JEUCVMLJSCZWCF-WDEREUQCSA-N 1 0 346.409 -1.679 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018792378 672959500 /nfs/dbraw/zinc/95/95/00/672959500.db2.gz BJWBPZDIWOOHFL-JTQLQIEISA-N 1 0 335.368 -2.422 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001018792915 672959232 /nfs/dbraw/zinc/95/92/32/672959232.db2.gz OUKMEOSBVSXSMT-JTQLQIEISA-N 1 0 349.395 -1.050 20 0 EAADRO CO[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1)C1CC1 ZINC001018793190 672959351 /nfs/dbraw/zinc/95/93/51/672959351.db2.gz PRGMGZUCTRVMSF-SWLSCSKDSA-N 1 0 338.408 -1.440 20 0 EAADRO CO[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1)C1CC1 ZINC001018793192 672959334 /nfs/dbraw/zinc/95/93/34/672959334.db2.gz PRGMGZUCTRVMSF-WFASDCNBSA-N 1 0 338.408 -1.440 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001018793752 672959192 /nfs/dbraw/zinc/95/91/92/672959192.db2.gz VXKDQWUQGNIWMH-GXSJLCMTSA-N 1 0 346.347 -1.179 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001018793753 672959349 /nfs/dbraw/zinc/95/93/49/672959349.db2.gz VXKDQWUQGNIWMH-ONGXEEELSA-N 1 0 346.347 -1.179 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)N1CCNC(=O)C1 ZINC001018793764 672959580 /nfs/dbraw/zinc/95/95/80/672959580.db2.gz WBRINUGFQRQVMP-UWVGGRQHSA-N 1 0 339.352 -2.756 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)N1CCNC(=O)C1 ZINC001018793767 672959338 /nfs/dbraw/zinc/95/93/38/672959338.db2.gz WBRINUGFQRQVMP-VHSXEESVSA-N 1 0 339.352 -2.756 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018794189 672959570 /nfs/dbraw/zinc/95/95/70/672959570.db2.gz FDKFYIPPLATXBD-NSHDSACASA-N 1 0 342.425 -1.345 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3cnnn3C)C2)CCO1 ZINC001018795450 672959427 /nfs/dbraw/zinc/95/94/27/672959427.db2.gz WYHRLEPCJGOCCJ-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3cnnn3C)C2)CCO1 ZINC001018795451 672959246 /nfs/dbraw/zinc/95/92/46/672959246.db2.gz WYHRLEPCJGOCCJ-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018799951 672959266 /nfs/dbraw/zinc/95/92/66/672959266.db2.gz JEOWAXVKOCKDHY-SMDDNHRTSA-N 1 0 326.397 -1.848 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001018802596 672959318 /nfs/dbraw/zinc/95/93/18/672959318.db2.gz BOVPOEXYXHTFHG-SMDDNHRTSA-N 1 0 338.408 -1.209 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC001018803015 672959520 /nfs/dbraw/zinc/95/95/20/672959520.db2.gz GTHFXQSMDLCHEZ-JTQLQIEISA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3ncn(C)n3)C2)CCO1 ZINC001018803111 672959602 /nfs/dbraw/zinc/95/96/02/672959602.db2.gz IUWWEPCORKGBBE-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3ncn(C)n3)C2)CCO1 ZINC001018803113 672959286 /nfs/dbraw/zinc/95/92/86/672959286.db2.gz IUWWEPCORKGBBE-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC001018803484 672959258 /nfs/dbraw/zinc/95/92/58/672959258.db2.gz RITSWSAVUFMMPX-JTQLQIEISA-N 1 0 347.379 -1.783 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)nn1 ZINC001018804669 672959293 /nfs/dbraw/zinc/95/92/93/672959293.db2.gz HQRUKLLFJRIVIV-NSHDSACASA-N 1 0 342.425 -1.345 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)nn1 ZINC001018805857 672959527 /nfs/dbraw/zinc/95/95/27/672959527.db2.gz TXOOIXKSXJZMDW-JTQLQIEISA-N 1 0 335.368 -2.422 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)nn1 ZINC001018806422 672959559 /nfs/dbraw/zinc/95/95/59/672959559.db2.gz CUPMBOZKJSNSIL-JTQLQIEISA-N 1 0 349.395 -1.050 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cc(=O)n(C)c(=O)n3C)C2)nn1 ZINC001018806708 672959276 /nfs/dbraw/zinc/95/92/76/672959276.db2.gz GDOJACCPRBLBPX-JTQLQIEISA-N 1 0 347.379 -1.783 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)o1 ZINC001018807087 672959480 /nfs/dbraw/zinc/95/94/80/672959480.db2.gz NAEYZRLEMGRJKW-LBPRGKRZSA-N 1 0 337.380 -1.030 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)o1 ZINC001018808047 672959402 /nfs/dbraw/zinc/95/94/02/672959402.db2.gz HDKLIOCGKYBBJP-JTQLQIEISA-N 1 0 336.352 -1.337 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001018808404 672959441 /nfs/dbraw/zinc/95/94/41/672959441.db2.gz FNVBEDUYOXSLBF-JTQLQIEISA-N 1 0 335.368 -2.422 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3cn(C)nn3)C2)CCO1 ZINC001018809196 672959457 /nfs/dbraw/zinc/95/94/57/672959457.db2.gz WMIVLVCLWIRDRK-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3cn(C)nn3)C2)CCO1 ZINC001018809197 672959327 /nfs/dbraw/zinc/95/93/27/672959327.db2.gz WMIVLVCLWIRDRK-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001018810101 672959223 /nfs/dbraw/zinc/95/92/23/672959223.db2.gz RIIRZVSLDXIPLG-NSHDSACASA-N 1 0 349.395 -1.940 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)n1 ZINC001018810377 672959310 /nfs/dbraw/zinc/95/93/10/672959310.db2.gz WYFBYYBERRMMSU-LBPRGKRZSA-N 1 0 336.396 -1.039 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)n1 ZINC001018810992 668811603 /nfs/dbraw/zinc/81/16/03/668811603.db2.gz MVDYTLWIVBCRLS-NSHDSACASA-N 1 0 342.425 -1.345 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001018812312 672959273 /nfs/dbraw/zinc/95/92/73/672959273.db2.gz MHFUSYSODLOHHY-JTQLQIEISA-N 1 0 335.368 -1.346 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001018814202 672959765 /nfs/dbraw/zinc/95/97/65/672959765.db2.gz QNSNUPFJBHPGRR-LBPRGKRZSA-N 1 0 336.396 -1.039 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018814778 668811913 /nfs/dbraw/zinc/81/19/13/668811913.db2.gz YKKNCMJOVPBOEO-NSHDSACASA-N 1 0 349.395 -1.940 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018814979 672959903 /nfs/dbraw/zinc/95/99/03/672959903.db2.gz AMCYLSHSCJTOSQ-JTQLQIEISA-N 1 0 335.368 -1.346 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)C2)n(C)c1=O ZINC001018815386 672960008 /nfs/dbraw/zinc/96/00/08/672960008.db2.gz HWUVLZRLLZEOIT-JTQLQIEISA-N 1 0 332.364 -1.189 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC001018815877 672959710 /nfs/dbraw/zinc/95/97/10/672959710.db2.gz OIIZHKVAWJWKIR-NEPJUHHUSA-N 1 0 348.407 -1.062 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC001018815878 672960019 /nfs/dbraw/zinc/96/00/19/672960019.db2.gz OIIZHKVAWJWKIR-RYUDHWBXSA-N 1 0 348.407 -1.062 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018815907 672960032 /nfs/dbraw/zinc/96/00/32/672960032.db2.gz QBVKHQXALWFBSD-ZDUSSCGKSA-N 1 0 348.407 -1.096 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1)N1CCNC(=O)C1 ZINC001018820826 672960360 /nfs/dbraw/zinc/96/03/60/672960360.db2.gz XXLWIPSQFCJTEW-UWVGGRQHSA-N 1 0 330.335 -1.210 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1)N1CCNC(=O)C1 ZINC001018820827 672960428 /nfs/dbraw/zinc/96/04/28/672960428.db2.gz XXLWIPSQFCJTEW-VHSXEESVSA-N 1 0 330.335 -1.210 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018821323 672960622 /nfs/dbraw/zinc/96/06/22/672960622.db2.gz CAOMZUKBKRNYNY-LBPRGKRZSA-N 1 0 348.407 -1.062 20 0 EAADRO Cc1c[nH]nc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018822405 672960386 /nfs/dbraw/zinc/96/03/86/672960386.db2.gz MJCNOGRHZTUWJP-NSHDSACASA-N 1 0 334.380 -1.519 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)[nH]1 ZINC001018827770 672960368 /nfs/dbraw/zinc/96/03/68/672960368.db2.gz XJJBXINFOKLTMD-LBPRGKRZSA-N 1 0 336.396 -1.295 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)[nH]1 ZINC001018827813 672960394 /nfs/dbraw/zinc/96/03/94/672960394.db2.gz XYPVSZRMAANOAH-NSHDSACASA-N 1 0 349.395 -2.195 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)[nH]1 ZINC001018828466 672960506 /nfs/dbraw/zinc/96/05/06/672960506.db2.gz BGTWMTMXBWEDLH-NSHDSACASA-N 1 0 334.380 -1.005 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)[nH]1 ZINC001018828506 672960449 /nfs/dbraw/zinc/96/04/49/672960449.db2.gz DBJWWANNBUOOHH-JTQLQIEISA-N 1 0 335.368 -1.602 20 0 EAADRO Cc1cn(C)nc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018830641 672960415 /nfs/dbraw/zinc/96/04/15/672960415.db2.gz PQEHIHXANVIIDY-LBPRGKRZSA-N 1 0 348.407 -1.509 20 0 EAADRO O=C(CC1(O)CCC1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018831538 672960564 /nfs/dbraw/zinc/96/05/64/672960564.db2.gz RVPIGCZVQXMQJY-LBPRGKRZSA-N 1 0 338.408 -1.560 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001018833746 672960407 /nfs/dbraw/zinc/96/04/07/672960407.db2.gz SCSKSZLYZYLTOD-ZDUSSCGKSA-N 1 0 348.407 -1.889 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001018833919 672960576 /nfs/dbraw/zinc/96/05/76/672960576.db2.gz WSCYSSXNWFOLLN-LBPRGKRZSA-N 1 0 334.380 -1.295 20 0 EAADRO Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)nn1 ZINC001018834315 672960638 /nfs/dbraw/zinc/96/06/38/672960638.db2.gz ISWFIEYSSVIHLV-LBPRGKRZSA-N 1 0 346.391 -1.452 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)nn1 ZINC001018835210 672960460 /nfs/dbraw/zinc/96/04/60/672960460.db2.gz AUPXCFLOPIISEB-NWDGAFQWSA-N 1 0 336.396 -1.041 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)nn1 ZINC001018835211 672960315 /nfs/dbraw/zinc/96/03/15/672960315.db2.gz AUPXCFLOPIISEB-RYUDHWBXSA-N 1 0 336.396 -1.041 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001018835684 672960486 /nfs/dbraw/zinc/96/04/86/672960486.db2.gz NSWKWAAMFWDGSU-LBPRGKRZSA-N 1 0 336.396 -1.039 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018839270 672961010 /nfs/dbraw/zinc/96/10/10/672961010.db2.gz NBHSSNHEOXDPHJ-NWDGAFQWSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(CO[C@H]1CCOC1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018839271 672961000 /nfs/dbraw/zinc/96/10/00/672961000.db2.gz NBHSSNHEOXDPHJ-RYUDHWBXSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(CO[C@H]1CCOC1)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001018839821 672961021 /nfs/dbraw/zinc/96/10/21/672961021.db2.gz UPVPDMBUZRLZQV-KBPBESRZSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001018839822 672960876 /nfs/dbraw/zinc/96/08/76/672960876.db2.gz UPVPDMBUZRLZQV-UONOGXRCSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001018850715 672961378 /nfs/dbraw/zinc/96/13/78/672961378.db2.gz CKRFOCVRVFFYLR-LBPRGKRZSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001018850740 672961483 /nfs/dbraw/zinc/96/14/83/672961483.db2.gz DBJSKNGRCRCOQF-JTQLQIEISA-N 1 0 343.351 -1.600 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018851065 672961426 /nfs/dbraw/zinc/96/14/26/672961426.db2.gz JNKMVGAAMDVFGF-NSHDSACASA-N 1 0 343.413 -2.101 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001018851075 672961456 /nfs/dbraw/zinc/96/14/56/672961456.db2.gz KHUKPLXANPBACO-NEPJUHHUSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001018851076 672961403 /nfs/dbraw/zinc/96/14/03/672961403.db2.gz KHUKPLXANPBACO-RYUDHWBXSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001018851107 672961453 /nfs/dbraw/zinc/96/14/53/672961453.db2.gz LJONJOYPFRDHJS-MNOVXSKESA-N 1 0 328.398 -1.702 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001018851108 672961387 /nfs/dbraw/zinc/96/13/87/672961387.db2.gz LJONJOYPFRDHJS-QWRGUYRKSA-N 1 0 328.398 -1.702 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)C1=O ZINC001018851215 672961373 /nfs/dbraw/zinc/96/13/73/672961373.db2.gz OFSSDVPDKUJLAQ-QWRGUYRKSA-N 1 0 336.392 -1.150 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC001018851216 672961479 /nfs/dbraw/zinc/96/14/79/672961479.db2.gz OFSSDVPDKUJLAQ-WDEREUQCSA-N 1 0 336.392 -1.150 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001018851217 672961400 /nfs/dbraw/zinc/96/14/00/672961400.db2.gz OFUCDPBFDQBICY-NEPJUHHUSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001018851218 672961499 /nfs/dbraw/zinc/96/14/99/672961499.db2.gz OFUCDPBFDQBICY-RYUDHWBXSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018851334 672961532 /nfs/dbraw/zinc/96/15/32/672961532.db2.gz QSHGVTWZYYTPFB-JTQLQIEISA-N 1 0 336.356 -3.178 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001018851344 672961258 /nfs/dbraw/zinc/96/12/58/672961258.db2.gz REHNVAYWKSZABW-NSHDSACASA-N 1 0 348.415 -1.152 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)CCO1 ZINC001018851588 672961526 /nfs/dbraw/zinc/96/15/26/672961526.db2.gz SXEVFICFENOTFV-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)CCO1 ZINC001018851589 672961464 /nfs/dbraw/zinc/96/14/64/672961464.db2.gz SXEVFICFENOTFV-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)n(C)c1=O ZINC001018853125 672961541 /nfs/dbraw/zinc/96/15/41/672961541.db2.gz RXRCAULGQDABKP-JTQLQIEISA-N 1 0 348.367 -2.539 20 0 EAADRO COc1cc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)ncn1 ZINC001018856716 672961339 /nfs/dbraw/zinc/96/13/39/672961339.db2.gz KADBGWNYFCMZBX-JTQLQIEISA-N 1 0 348.363 -1.159 20 0 EAADRO Cn1nnc(CN[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)n1 ZINC001018860807 672961951 /nfs/dbraw/zinc/96/19/51/672961951.db2.gz GMFHHDFUPLLIJP-LBPRGKRZSA-N 1 0 347.427 -1.028 20 0 EAADRO Cn1nnnc1CN[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001018860868 672961828 /nfs/dbraw/zinc/96/18/28/672961828.db2.gz JJTTVGNTIWUHSC-LBPRGKRZSA-N 1 0 347.427 -1.028 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)n1 ZINC001018869707 672961791 /nfs/dbraw/zinc/96/17/91/672961791.db2.gz AMRQJEOAUOUISD-NSHDSACASA-N 1 0 332.368 -1.536 20 0 EAADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)ncn1 ZINC001018869732 672962062 /nfs/dbraw/zinc/96/20/62/672962062.db2.gz AVHMKOXXBGTCFE-NSHDSACASA-N 1 0 344.379 -1.134 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)C2)n1 ZINC001018869922 672962038 /nfs/dbraw/zinc/96/20/38/672962038.db2.gz CXNWQFJDZXDMEV-NSHDSACASA-N 1 0 349.395 -1.810 20 0 EAADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)nn1C ZINC001018869998 672961774 /nfs/dbraw/zinc/96/17/74/672961774.db2.gz DVJSVHUIKHQCNV-NSHDSACASA-N 1 0 346.395 -1.190 20 0 EAADRO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC001018870002 672961849 /nfs/dbraw/zinc/96/18/49/672961849.db2.gz FDCFMNCWUVLOAE-NSHDSACASA-N 1 0 344.379 -1.134 20 0 EAADRO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC001018870021 672961765 /nfs/dbraw/zinc/96/17/65/672961765.db2.gz GHVMMYQXQLKYLH-LBPRGKRZSA-N 1 0 344.379 -1.134 20 0 EAADRO CCn1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001018870026 672961944 /nfs/dbraw/zinc/96/19/44/672961944.db2.gz GPBRUJHOYNHYKV-LBPRGKRZSA-N 1 0 346.395 -1.016 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001018870219 672961913 /nfs/dbraw/zinc/96/19/13/672961913.db2.gz JCYLCLNWJORLGF-QWRGUYRKSA-N 1 0 349.395 -1.812 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001018870220 672961751 /nfs/dbraw/zinc/96/17/51/672961751.db2.gz JCYLCLNWJORLGF-WDEREUQCSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001018870238 672962074 /nfs/dbraw/zinc/96/20/74/672962074.db2.gz KJJCTKMJBSGCGX-UWVGGRQHSA-N 1 0 335.368 -2.202 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001018870239 672961863 /nfs/dbraw/zinc/96/18/63/672961863.db2.gz KJJCTKMJBSGCGX-VHSXEESVSA-N 1 0 335.368 -2.202 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)n1 ZINC001018870267 672962109 /nfs/dbraw/zinc/96/21/09/672962109.db2.gz MEKDRIGIAGHASB-JTQLQIEISA-N 1 0 335.368 -2.200 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001018870422 672961779 /nfs/dbraw/zinc/96/17/79/672961779.db2.gz NEABLOZILIJODQ-NSHDSACASA-N 1 0 332.368 -1.499 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC001018870436 672961955 /nfs/dbraw/zinc/96/19/55/672961955.db2.gz NMALTKIWDRYWDJ-NSHDSACASA-N 1 0 332.368 -1.499 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001018870442 672961927 /nfs/dbraw/zinc/96/19/27/672961927.db2.gz NWJLMHUVYSEKRL-UWVGGRQHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001018870446 672961810 /nfs/dbraw/zinc/96/18/10/672961810.db2.gz NWJLMHUVYSEKRL-VHSXEESVSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)n1 ZINC001018870476 672961965 /nfs/dbraw/zinc/96/19/65/672961965.db2.gz OIRZEGSOPCJCKN-JTQLQIEISA-N 1 0 333.356 -2.141 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870504 672962522 /nfs/dbraw/zinc/96/25/22/672962522.db2.gz OZTQFMDUHUAGNS-NSHDSACASA-N 1 0 346.395 -1.456 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001018870581 672962351 /nfs/dbraw/zinc/96/23/51/672962351.db2.gz QBNYRKLMGVSHDB-DTWKUNHWSA-N 1 0 349.351 -2.627 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001018870582 672962503 /nfs/dbraw/zinc/96/25/03/672962503.db2.gz QBNYRKLMGVSHDB-IUCAKERBSA-N 1 0 349.351 -2.627 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870589 672962420 /nfs/dbraw/zinc/96/24/20/672962420.db2.gz QMWMSBRSNXZUSI-JTQLQIEISA-N 1 0 347.383 -1.621 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC001018870606 672962531 /nfs/dbraw/zinc/96/25/31/672962531.db2.gz RDDYPKRCISTCSC-LBPRGKRZSA-N 1 0 346.395 -1.456 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870893 672962281 /nfs/dbraw/zinc/96/22/81/672962281.db2.gz RMZMIWZIGDYAEH-JTQLQIEISA-N 1 0 332.368 -1.499 20 0 EAADRO Cc1nccnc1C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870898 672962379 /nfs/dbraw/zinc/96/23/79/672962379.db2.gz RQPVEKMOXHCRRH-NSHDSACASA-N 1 0 344.379 -1.134 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870922 672962507 /nfs/dbraw/zinc/96/25/07/672962507.db2.gz SMXMXKLMOSDRQB-JTQLQIEISA-N 1 0 332.368 -1.499 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)n1 ZINC001018870946 672962541 /nfs/dbraw/zinc/96/25/41/672962541.db2.gz SYWMQDCOMFHFQB-NSHDSACASA-N 1 0 349.395 -1.810 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)n1 ZINC001018871021 672962479 /nfs/dbraw/zinc/96/24/79/672962479.db2.gz VXWHOLNDFQGQSF-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CC[C@H]3CCOC3)C2)n1 ZINC001018871022 672962483 /nfs/dbraw/zinc/96/24/83/672962483.db2.gz VXWHOLNDFQGQSF-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]CC3CCOCC3)C2)n1 ZINC001018871037 672962513 /nfs/dbraw/zinc/96/25/13/672962513.db2.gz WJNNDILQXHVYRG-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018871153 672962495 /nfs/dbraw/zinc/96/24/95/672962495.db2.gz XHAMINJWGQKGOS-LBPRGKRZSA-N 1 0 346.395 -1.190 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]C[C@H]3CCCOC3)C2)n1 ZINC001018871160 672962470 /nfs/dbraw/zinc/96/24/70/672962470.db2.gz XNNMAZMHFPSZMD-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)n1 ZINC001018871161 672962375 /nfs/dbraw/zinc/96/23/75/672962375.db2.gz XNNMAZMHFPSZMD-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001018871179 672962271 /nfs/dbraw/zinc/96/22/71/672962271.db2.gz XYZOXMRKDNVBGS-QWRGUYRKSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001018871180 672962492 /nfs/dbraw/zinc/96/24/92/672962492.db2.gz XYZOXMRKDNVBGS-WDEREUQCSA-N 1 0 349.395 -1.812 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018871196 672962335 /nfs/dbraw/zinc/96/23/35/672962335.db2.gz ZBDUPCMWQCVAAY-VIFPVBQESA-N 1 0 333.356 -2.104 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)Cn1cnnn1)C2 ZINC001018873915 672962290 /nfs/dbraw/zinc/96/22/90/672962290.db2.gz QCALOISELCRKPW-GFCCVEGCSA-N 1 0 333.396 -1.172 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)Cn1cnnn1)C2 ZINC001018873916 672962514 /nfs/dbraw/zinc/96/25/14/672962514.db2.gz QCALOISELCRKPW-LBPRGKRZSA-N 1 0 333.396 -1.172 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1)N1CCNC(=O)C1 ZINC001018874470 672962387 /nfs/dbraw/zinc/96/23/87/672962387.db2.gz OMQBNIGRWPFZCM-MKBNYLNASA-N 1 0 336.392 -1.828 20 0 EAADRO Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc(=O)n(C)c1=O ZINC001018877865 672962748 /nfs/dbraw/zinc/96/27/48/672962748.db2.gz WQJRGPVCQQTYNX-PRXAMGSTSA-N 1 0 348.403 -1.189 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001018879026 672962978 /nfs/dbraw/zinc/96/29/78/672962978.db2.gz CAXVBLHFKYOFRP-NEPJUHHUSA-N 1 0 335.408 -1.177 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001018879027 672962828 /nfs/dbraw/zinc/96/28/28/672962828.db2.gz CAXVBLHFKYOFRP-NWDGAFQWSA-N 1 0 335.408 -1.177 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001018879209 672962894 /nfs/dbraw/zinc/96/28/94/672962894.db2.gz CAXVBLHFKYOFRP-RYUDHWBXSA-N 1 0 335.408 -1.177 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001018879210 672962860 /nfs/dbraw/zinc/96/28/60/672962860.db2.gz CAXVBLHFKYOFRP-VXGBXAGGSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1nnc(C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)C2)n1 ZINC001018880490 672963017 /nfs/dbraw/zinc/96/30/17/672963017.db2.gz SADLLXYNCTUJNC-LLVKDONJSA-N 1 0 333.396 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)n1 ZINC001018880491 672963004 /nfs/dbraw/zinc/96/30/04/672963004.db2.gz SADLLXYNCTUJNC-NSHDSACASA-N 1 0 333.396 -1.021 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)Cn1ncnn1)C2 ZINC001018880742 672962817 /nfs/dbraw/zinc/96/28/17/672962817.db2.gz VZGDKEQMGLCFHF-GFCCVEGCSA-N 1 0 333.396 -1.172 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)Cn1ncnn1)C2 ZINC001018880744 672962765 /nfs/dbraw/zinc/96/27/65/672962765.db2.gz VZGDKEQMGLCFHF-LBPRGKRZSA-N 1 0 333.396 -1.172 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001018904718 672964910 /nfs/dbraw/zinc/96/49/10/672964910.db2.gz BMJPGGUKELLWGK-UWVGGRQHSA-N 1 0 329.378 -1.973 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001018904719 672964629 /nfs/dbraw/zinc/96/46/29/672964629.db2.gz BMJPGGUKELLWGK-VHSXEESVSA-N 1 0 329.378 -1.973 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001018904872 672964989 /nfs/dbraw/zinc/96/49/89/672964989.db2.gz HSTPLAXANRAACX-NWDGAFQWSA-N 1 0 329.422 -1.158 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001018904873 672964564 /nfs/dbraw/zinc/96/45/64/672964564.db2.gz HSTPLAXANRAACX-RYUDHWBXSA-N 1 0 329.422 -1.158 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)N1CCOCC1 ZINC001018904906 672964788 /nfs/dbraw/zinc/96/47/88/672964788.db2.gz IZQMBVFYGZOFHQ-LBPRGKRZSA-N 1 0 345.421 -1.920 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)N1CCCC1 ZINC001018905179 672964606 /nfs/dbraw/zinc/96/46/06/672964606.db2.gz VLQFBCCTADOXTE-LBPRGKRZSA-N 1 0 329.422 -1.156 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001018906295 672964830 /nfs/dbraw/zinc/96/48/30/672964830.db2.gz KEBDAYWNCCCESS-NSHDSACASA-N 1 0 330.410 -1.753 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001018906378 672964765 /nfs/dbraw/zinc/96/47/65/672964765.db2.gz NCRFZSCSFDQOPL-NSHDSACASA-N 1 0 343.405 -1.630 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001018906414 672964975 /nfs/dbraw/zinc/96/49/75/672964975.db2.gz OIQYXECJVOFKAZ-LBPRGKRZSA-N 1 0 329.422 -1.156 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001018906421 672964840 /nfs/dbraw/zinc/96/48/40/672964840.db2.gz ORTPNFLIVWQDJU-NWDGAFQWSA-N 1 0 329.422 -1.158 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001018906422 672964796 /nfs/dbraw/zinc/96/47/96/672964796.db2.gz ORTPNFLIVWQDJU-RYUDHWBXSA-N 1 0 329.422 -1.158 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018906592 672964691 /nfs/dbraw/zinc/96/46/91/672964691.db2.gz WGXWSELZVDWRNQ-JTQLQIEISA-N 1 0 344.393 -2.227 20 0 EAADRO O=C(c1cccn2nnnc12)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001018909749 672964965 /nfs/dbraw/zinc/96/49/65/672964965.db2.gz BGQSYTGCCBXPGK-GXSJLCMTSA-N 1 0 343.347 -1.266 20 0 EAADRO O=C(c1cccn2nnnc12)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001018909750 672964985 /nfs/dbraw/zinc/96/49/85/672964985.db2.gz BGQSYTGCCBXPGK-ONGXEEELSA-N 1 0 343.347 -1.266 20 0 EAADRO O=C(c1cccn2nnnc12)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001018910481 672964773 /nfs/dbraw/zinc/96/47/73/672964773.db2.gz SNTBFLJBDFMYHZ-NSHDSACASA-N 1 0 344.379 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)Cn3nccn3)C2)CCO1 ZINC001018914338 672964938 /nfs/dbraw/zinc/96/49/38/672964938.db2.gz 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O=C(Cn1nccn1)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018915674 672964814 /nfs/dbraw/zinc/96/48/14/672964814.db2.gz MYPGYQPNRZASEK-LBPRGKRZSA-N 1 0 342.425 -1.496 20 0 EAADRO O=C(Cn1nccn1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018915851 672964946 /nfs/dbraw/zinc/96/49/46/672964946.db2.gz WWKLJSAKYSWXCZ-NSHDSACASA-N 1 0 335.368 -2.573 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccns2)C1)N1CCNC(=O)C1 ZINC001018929520 672965376 /nfs/dbraw/zinc/96/53/76/672965376.db2.gz ULDYIBJOUJFSFC-JTQLQIEISA-N 1 0 337.405 -1.094 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1=O ZINC001018934002 672965275 /nfs/dbraw/zinc/96/52/75/672965275.db2.gz BWCPLMVWEIVBRX-MNOVXSKESA-N 1 0 337.380 -1.793 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1=O ZINC001018934003 672965398 /nfs/dbraw/zinc/96/53/98/672965398.db2.gz BWCPLMVWEIVBRX-QWRGUYRKSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1=O ZINC001018934042 672965299 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-1.155 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccsn2)C1)N1CCNC(=O)C1 ZINC001019018675 672970879 /nfs/dbraw/zinc/97/08/79/672970879.db2.gz COBHXERYMQAYLB-JTQLQIEISA-N 1 0 337.405 -1.094 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c(=O)[nH]c1C ZINC001019024510 672970819 /nfs/dbraw/zinc/97/08/19/672970819.db2.gz COTOFPZQDSHGKP-QWRGUYRKSA-N 1 0 347.375 -1.004 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c(=O)[nH]c1C ZINC001019024511 672970746 /nfs/dbraw/zinc/97/07/46/672970746.db2.gz COTOFPZQDSHGKP-WDEREUQCSA-N 1 0 347.375 -1.004 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001019032245 672971434 /nfs/dbraw/zinc/97/14/34/672971434.db2.gz NBUDPUYMGWTLFX-HZSPNIEDSA-N 1 0 339.440 -1.079 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cn2cnnn2)C3)C1 ZINC001019036781 672971659 /nfs/dbraw/zinc/97/16/59/672971659.db2.gz KPHQVTJTKDBUPG-GFCCVEGCSA-N 1 0 333.396 -1.314 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)Cn2cnnn2)C3)C1 ZINC001019036782 672971544 /nfs/dbraw/zinc/97/15/44/672971544.db2.gz KPHQVTJTKDBUPG-LBPRGKRZSA-N 1 0 333.396 -1.314 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1)C(N)=O ZINC001019037290 672971515 /nfs/dbraw/zinc/97/15/15/672971515.db2.gz BIBWAIDFGPMSRE-KOLCDFICSA-N 1 0 329.422 -1.125 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1)C(N)=O ZINC001019037291 672971483 /nfs/dbraw/zinc/97/14/83/672971483.db2.gz BIBWAIDFGPMSRE-ONGXEEELSA-N 1 0 329.422 -1.125 20 0 EAADRO O=C(C1CC2(C1)CS(=O)(=O)C2)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019037481 672971343 /nfs/dbraw/zinc/97/13/43/672971343.db2.gz NHZFIVOYUSQNQZ-NWDGAFQWSA-N 1 0 341.433 -1.110 20 0 EAADRO O=C(C1CC2(C1)CS(=O)(=O)C2)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019037482 672971601 /nfs/dbraw/zinc/97/16/01/672971601.db2.gz NHZFIVOYUSQNQZ-RYUDHWBXSA-N 1 0 341.433 -1.110 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cn2ncnn2)C3)C1 ZINC001019037784 672971361 /nfs/dbraw/zinc/97/13/61/672971361.db2.gz BDDGUXCGYLYHPE-GFCCVEGCSA-N 1 0 333.396 -1.314 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)Cn2ncnn2)C3)C1 ZINC001019037785 672971203 /nfs/dbraw/zinc/97/12/03/672971203.db2.gz BDDGUXCGYLYHPE-LBPRGKRZSA-N 1 0 333.396 -1.314 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CN=NC2=O)C3)C1 ZINC001019038332 672971271 /nfs/dbraw/zinc/97/12/71/672971271.db2.gz ONRCYRGOQHAHEC-GFCCVEGCSA-N 1 0 348.407 -1.004 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CN=NC2=O)C3)C1 ZINC001019038333 672971558 /nfs/dbraw/zinc/97/15/58/672971558.db2.gz ONRCYRGOQHAHEC-LBPRGKRZSA-N 1 0 348.407 -1.004 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CNC(=O)N2)C3)C1 ZINC001019038430 672971332 /nfs/dbraw/zinc/97/13/32/672971332.db2.gz RIEMHIMJHITKFG-NEPJUHHUSA-N 1 0 335.408 -1.320 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CNC(=O)N2)C3)C1 ZINC001019038431 672971395 /nfs/dbraw/zinc/97/13/95/672971395.db2.gz RIEMHIMJHITKFG-NWDGAFQWSA-N 1 0 335.408 -1.320 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CNC(=O)N2)C3)C1 ZINC001019038432 672971413 /nfs/dbraw/zinc/97/14/13/672971413.db2.gz RIEMHIMJHITKFG-RYUDHWBXSA-N 1 0 335.408 -1.320 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CNC(=O)N2)C3)C1 ZINC001019038433 672971301 /nfs/dbraw/zinc/97/13/01/672971301.db2.gz RIEMHIMJHITKFG-VXGBXAGGSA-N 1 0 335.408 -1.320 20 0 EAADRO Cn1nnc(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)n1 ZINC001019038465 672971286 /nfs/dbraw/zinc/97/12/86/672971286.db2.gz SGDWIXPUVDOBLR-LLVKDONJSA-N 1 0 333.396 -1.164 20 0 EAADRO Cn1nnc(C(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)n1 ZINC001019038466 672971380 /nfs/dbraw/zinc/97/13/80/672971380.db2.gz SGDWIXPUVDOBLR-NSHDSACASA-N 1 0 333.396 -1.164 20 0 EAADRO NC(=O)c1ccc(CC(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001019040161 672971493 /nfs/dbraw/zinc/97/14/93/672971493.db2.gz LRRXYMQQTSDOOA-AAEUAGOBSA-N 1 0 331.376 -1.198 20 0 EAADRO NC(=O)c1ccc(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001019040162 672971498 /nfs/dbraw/zinc/97/14/98/672971498.db2.gz LRRXYMQQTSDOOA-WCQYABFASA-N 1 0 331.376 -1.198 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)Cn1ncnn1)C2 ZINC001019040622 672971653 /nfs/dbraw/zinc/97/16/53/672971653.db2.gz IQFYWVFRDCWEOM-UHFFFAOYSA-N 1 0 333.396 -1.170 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)Cn1cnnn1)C2 ZINC001019040690 672971487 /nfs/dbraw/zinc/97/14/87/672971487.db2.gz KWDACLCNPVIHQN-UHFFFAOYSA-N 1 0 333.396 -1.170 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001019040928 672971217 /nfs/dbraw/zinc/97/12/17/672971217.db2.gz ULRMHKMSYADRNG-GFCCVEGCSA-N 1 0 335.408 -1.176 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001019040929 672971524 /nfs/dbraw/zinc/97/15/24/672971524.db2.gz ULRMHKMSYADRNG-LBPRGKRZSA-N 1 0 335.408 -1.176 20 0 EAADRO Cn1nnc(C(=O)N2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)n1 ZINC001019041646 672971615 /nfs/dbraw/zinc/97/16/15/672971615.db2.gz DXISUGZIJNTZLO-UHFFFAOYSA-N 1 0 333.396 -1.020 20 0 EAADRO C[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)S(C)(=O)=O ZINC001019042295 672972079 /nfs/dbraw/zinc/97/20/79/672972079.db2.gz FBXAYCSESSXIBE-MNOVXSKESA-N 1 0 345.421 -1.241 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)S(C)(=O)=O ZINC001019042296 672972002 /nfs/dbraw/zinc/97/20/02/672972002.db2.gz FBXAYCSESSXIBE-QWRGUYRKSA-N 1 0 345.421 -1.241 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)S(C)(=O)=O ZINC001019042672 672972122 /nfs/dbraw/zinc/97/21/22/672972122.db2.gz PLLKKBJQQLBBCL-UWVGGRQHSA-N 1 0 346.409 -1.838 20 0 EAADRO C[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)S(C)(=O)=O ZINC001019042673 672971913 /nfs/dbraw/zinc/97/19/13/672971913.db2.gz PLLKKBJQQLBBCL-ZJUUUORDSA-N 1 0 346.409 -1.838 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019043510 672971964 /nfs/dbraw/zinc/97/19/64/672971964.db2.gz XGGYKDGXBBFIFX-GFCCVEGCSA-N 1 0 338.408 -1.499 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019043511 672972012 /nfs/dbraw/zinc/97/20/12/672972012.db2.gz XGGYKDGXBBFIFX-LBPRGKRZSA-N 1 0 338.408 -1.499 20 0 EAADRO C[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)S(C)(=O)=O ZINC001019047529 672972142 /nfs/dbraw/zinc/97/21/42/672972142.db2.gz DCZCFYUAHJUUQT-NEPJUHHUSA-N 1 0 347.437 -1.531 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)S(C)(=O)=O ZINC001019047530 672972092 /nfs/dbraw/zinc/97/20/92/672972092.db2.gz DCZCFYUAHJUUQT-RYUDHWBXSA-N 1 0 347.437 -1.531 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001019047853 672972084 /nfs/dbraw/zinc/97/20/84/672972084.db2.gz CUUGFIJMHCSVAO-UHFFFAOYSA-N 1 0 345.407 -1.170 20 0 EAADRO C[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)S(C)(=O)=O ZINC001019047918 672971999 /nfs/dbraw/zinc/97/19/99/672971999.db2.gz OWYMKSRYMKECLK-MNOVXSKESA-N 1 0 332.426 -1.365 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)S(C)(=O)=O ZINC001019047919 672971880 /nfs/dbraw/zinc/97/18/80/672971880.db2.gz OWYMKSRYMKECLK-QWRGUYRKSA-N 1 0 332.426 -1.365 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001019048167 672971987 /nfs/dbraw/zinc/97/19/87/672971987.db2.gz IGGYMAMHPUTSEN-GFCCVEGCSA-N 1 0 333.396 -1.172 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001019048168 672971929 /nfs/dbraw/zinc/97/19/29/672971929.db2.gz IGGYMAMHPUTSEN-LBPRGKRZSA-N 1 0 333.396 -1.172 20 0 EAADRO Cn1ccc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)cc1=O ZINC001019049018 672972341 /nfs/dbraw/zinc/97/23/41/672972341.db2.gz OQSZJOUFAOVSOV-LBPRGKRZSA-N 1 0 347.375 -1.259 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)C1 ZINC001019049273 672972284 /nfs/dbraw/zinc/97/22/84/672972284.db2.gz CDXRCQQQBIOMTN-GFCCVEGCSA-N 1 0 333.396 -1.314 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)C1 ZINC001019049274 672972557 /nfs/dbraw/zinc/97/25/57/672972557.db2.gz CDXRCQQQBIOMTN-LBPRGKRZSA-N 1 0 333.396 -1.314 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001019049354 672972757 /nfs/dbraw/zinc/97/27/57/672972757.db2.gz GQVOUEFRBHUANW-UHFFFAOYSA-N 1 0 333.396 -1.170 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001019049779 672973029 /nfs/dbraw/zinc/97/30/29/672973029.db2.gz WGOXAPJYDOWWMJ-CHWSQXEVSA-N 1 0 347.423 -1.068 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001019049780 672972990 /nfs/dbraw/zinc/97/29/90/672972990.db2.gz WGOXAPJYDOWWMJ-OLZOCXBDSA-N 1 0 347.423 -1.068 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001019049781 672972776 /nfs/dbraw/zinc/97/27/76/672972776.db2.gz WGOXAPJYDOWWMJ-QWHCGFSZSA-N 1 0 347.423 -1.068 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001019049782 672972852 /nfs/dbraw/zinc/97/28/52/672972852.db2.gz WGOXAPJYDOWWMJ-STQMWFEESA-N 1 0 347.423 -1.068 20 0 EAADRO Cn1ccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001019054062 672973324 /nfs/dbraw/zinc/97/33/24/672973324.db2.gz WSTFFSJQSHRCAH-NWDGAFQWSA-N 1 0 332.360 -1.005 20 0 EAADRO Cn1ccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001019054063 672973473 /nfs/dbraw/zinc/97/34/73/672973473.db2.gz WSTFFSJQSHRCAH-RYUDHWBXSA-N 1 0 332.360 -1.005 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1)C(N)=O ZINC001019057329 672974020 /nfs/dbraw/zinc/97/40/20/672974020.db2.gz LZCPXIWXWFRTIZ-APPZFPTMSA-N 1 0 330.366 -1.395 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1)C(N)=O ZINC001019057330 672973879 /nfs/dbraw/zinc/97/38/79/672973879.db2.gz LZCPXIWXWFRTIZ-CBAPKCEASA-N 1 0 330.366 -1.395 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)co1 ZINC001019057511 672974045 /nfs/dbraw/zinc/97/40/45/672974045.db2.gz UOHBBMDFVFWULY-UWVGGRQHSA-N 1 0 342.377 -1.380 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)co1 ZINC001019057512 672974062 /nfs/dbraw/zinc/97/40/62/672974062.db2.gz UOHBBMDFVFWULY-VHSXEESVSA-N 1 0 342.377 -1.380 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1)N1CCC1 ZINC001019057544 672974015 /nfs/dbraw/zinc/97/40/15/672974015.db2.gz VUBWZLXIUHBTHD-NEPJUHHUSA-N 1 0 348.407 -1.031 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1)N1CCC1 ZINC001019057545 672973828 /nfs/dbraw/zinc/97/38/28/672973828.db2.gz VUBWZLXIUHBTHD-RYUDHWBXSA-N 1 0 348.407 -1.031 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1)C(N)=O ZINC001019058816 672974061 /nfs/dbraw/zinc/97/40/61/672974061.db2.gz XKYAROQNALFBEU-UWVGGRQHSA-N 1 0 344.393 -1.005 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1)C(N)=O ZINC001019058817 672974006 /nfs/dbraw/zinc/97/40/06/672974006.db2.gz XKYAROQNALFBEU-VHSXEESVSA-N 1 0 344.393 -1.005 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1)C(N)=O 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ZINC001019060042 672974034 /nfs/dbraw/zinc/97/40/34/672974034.db2.gz ZHDPPETZNLVPFC-ZDUSSCGKSA-N 1 0 335.412 -1.757 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)cn1 ZINC001019060049 672974022 /nfs/dbraw/zinc/97/40/22/672974022.db2.gz ZLFDKAKNZUUSDV-HNNXBMFYSA-N 1 0 348.451 -1.073 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019062046 672974055 /nfs/dbraw/zinc/97/40/55/672974055.db2.gz CBQKECMKRSVWCN-QWRGUYRKSA-N 1 0 343.405 -1.583 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019062047 672973884 /nfs/dbraw/zinc/97/38/84/672973884.db2.gz CBQKECMKRSVWCN-WDEREUQCSA-N 1 0 343.405 -1.583 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019062105 672974612 /nfs/dbraw/zinc/97/46/12/672974612.db2.gz FZRDTTBPMBZIIM-LBPRGKRZSA-N 1 0 344.437 -1.363 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001019062133 672974038 /nfs/dbraw/zinc/97/40/38/672974038.db2.gz HIYJACITZZDIEA-NSHDSACASA-N 1 0 327.410 -1.060 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019062200 672974266 /nfs/dbraw/zinc/97/42/66/672974266.db2.gz KGOTZRMYXKSZSH-NWDGAFQWSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019062201 672974589 /nfs/dbraw/zinc/97/45/89/672974589.db2.gz KGOTZRMYXKSZSH-RYUDHWBXSA-N 1 0 329.422 -1.110 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1=O ZINC001019062395 672974644 /nfs/dbraw/zinc/97/46/44/672974644.db2.gz TYDJHAHMBVLMFA-ZDUSSCGKSA-N 1 0 337.424 -1.817 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001019062405 672974321 /nfs/dbraw/zinc/97/43/21/672974321.db2.gz UPHRLVKZERHGOG-ZDUSSCGKSA-N 1 0 334.424 -1.115 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)cn1 ZINC001019062479 672974464 /nfs/dbraw/zinc/97/44/64/672974464.db2.gz YBTXNRQNEUAQGK-AWEZNQCLSA-N 1 0 334.424 -1.115 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001019062505 672974540 /nfs/dbraw/zinc/97/45/40/672974540.db2.gz ZHUPTXPMHMQZFU-ZDUSSCGKSA-N 1 0 334.424 -1.115 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1)N1CCC1 ZINC001019062506 672974293 /nfs/dbraw/zinc/97/42/93/672974293.db2.gz ZHWUIKAETXUKIP-LBPRGKRZSA-N 1 0 329.422 -1.156 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019063106 672974332 /nfs/dbraw/zinc/97/43/32/672974332.db2.gz AJIJXNMNFDYXDG-LBPRGKRZSA-N 1 0 327.410 -1.097 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)c1=O ZINC001019063107 672974553 /nfs/dbraw/zinc/97/45/53/672974553.db2.gz AJRRZLLOVGHHNG-NWDGAFQWSA-N 1 0 336.396 -1.607 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)c1=O ZINC001019063108 672974594 /nfs/dbraw/zinc/97/45/94/672974594.db2.gz AJRRZLLOVGHHNG-RYUDHWBXSA-N 1 0 336.396 -1.607 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)c1=O ZINC001019063141 672974297 /nfs/dbraw/zinc/97/42/97/672974297.db2.gz BUWZTGQDNBGIQA-NWDGAFQWSA-N 1 0 346.395 -1.449 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)c1=O ZINC001019063142 672974608 /nfs/dbraw/zinc/97/46/08/672974608.db2.gz BUWZTGQDNBGIQA-RYUDHWBXSA-N 1 0 346.395 -1.449 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]CCc3ccnn3C)C2)c1=O ZINC001019063151 672974251 /nfs/dbraw/zinc/97/42/51/672974251.db2.gz CDCXERDLECBPTR-LBPRGKRZSA-N 1 0 333.396 -1.252 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)c1=O ZINC001019063247 672974551 /nfs/dbraw/zinc/97/45/51/672974551.db2.gz IPTWXPHALQZBKQ-ZDUSSCGKSA-N 1 0 346.391 -1.329 20 0 EAADRO CCn1nnc(C)c1C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001019063312 672974418 /nfs/dbraw/zinc/97/44/18/672974418.db2.gz LVKSPDGACSPVQZ-LBPRGKRZSA-N 1 0 348.411 -1.108 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1=O ZINC001019063326 672974440 /nfs/dbraw/zinc/97/44/40/672974440.db2.gz MSJHEFFIOCVXHG-NWDGAFQWSA-N 1 0 329.422 -1.158 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1=O ZINC001019063327 672974624 /nfs/dbraw/zinc/97/46/24/672974624.db2.gz MSJHEFFIOCVXHG-RYUDHWBXSA-N 1 0 329.422 -1.158 20 0 EAADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001019063379 672974504 /nfs/dbraw/zinc/97/45/04/672974504.db2.gz PBDRBQRFMMNYHT-LBPRGKRZSA-N 1 0 347.379 -1.229 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001019063396 672974615 /nfs/dbraw/zinc/97/46/15/672974615.db2.gz PXNMRSRKPGNEHY-ZDUSSCGKSA-N 1 0 333.396 -1.252 20 0 EAADRO COc1nccc(C[NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001019063453 672974351 /nfs/dbraw/zinc/97/43/51/672974351.db2.gz SDWDVPXEEQWAQP-LBPRGKRZSA-N 1 0 347.379 -1.229 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c1=O ZINC001019063469 672974447 /nfs/dbraw/zinc/97/44/47/672974447.db2.gz STXDUNHDBGIULS-UWVGGRQHSA-N 1 0 336.352 -2.423 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c1=O ZINC001019063470 672974380 /nfs/dbraw/zinc/97/43/80/672974380.db2.gz STXDUNHDBGIULS-VHSXEESVSA-N 1 0 336.352 -2.423 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)C1=O ZINC001019063473 672974434 /nfs/dbraw/zinc/97/44/34/672974434.db2.gz TUFJIARTKJAYNN-NWDGAFQWSA-N 1 0 336.396 -1.607 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)C1=O ZINC001019063474 672974636 /nfs/dbraw/zinc/97/46/36/672974636.db2.gz TUFJIARTKJAYNN-RYUDHWBXSA-N 1 0 336.396 -1.607 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)c1=O ZINC001019063501 672974569 /nfs/dbraw/zinc/97/45/69/672974569.db2.gz VNRSEGNBECTBNT-NSHDSACASA-N 1 0 337.384 -2.203 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001019063509 672974577 /nfs/dbraw/zinc/97/45/77/672974577.db2.gz VWQDXCAIYBEBBO-NSHDSACASA-N 1 0 334.384 -1.416 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001019063516 672974601 /nfs/dbraw/zinc/97/46/01/672974601.db2.gz WHJYSXBCVFZPEG-ZDUSSCGKSA-N 1 0 348.411 -1.319 20 0 EAADRO COc1cncc(C[NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001019063561 672974960 /nfs/dbraw/zinc/97/49/60/672974960.db2.gz YRHSXFIBNZDMFW-NSHDSACASA-N 1 0 347.379 -1.229 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)C2)c1=O ZINC001019063562 672975182 /nfs/dbraw/zinc/97/51/82/672975182.db2.gz YUVVUGOGPZNPJI-LBPRGKRZSA-N 1 0 336.396 -1.605 20 0 EAADRO C[NH+](C)CCn1cc(C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)cn1 ZINC001019064089 672974946 /nfs/dbraw/zinc/97/49/46/672974946.db2.gz XOTNUWZHFQUCMS-UHFFFAOYSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)c1=O ZINC001019064306 672974896 /nfs/dbraw/zinc/97/48/96/672974896.db2.gz JIAVAGHHVVJDPY-LBPRGKRZSA-N 1 0 336.396 -1.605 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019066349 672974900 /nfs/dbraw/zinc/97/49/00/672974900.db2.gz DJHIINULVKBIOJ-KBPBESRZSA-N 1 0 339.440 -1.077 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019066350 672974917 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672977818 /nfs/dbraw/zinc/97/78/18/672977818.db2.gz APGSYFMSMNGXAG-NWDGAFQWSA-N 1 0 349.391 -1.418 20 0 EAADRO COCCn1nc(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)ccc1=O ZINC001019116479 672978001 /nfs/dbraw/zinc/97/80/01/672978001.db2.gz APGSYFMSMNGXAG-RYUDHWBXSA-N 1 0 349.391 -1.418 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)o1 ZINC001019121149 672977993 /nfs/dbraw/zinc/97/79/93/672977993.db2.gz GXTGNEDSLGFVDK-VIFPVBQESA-N 1 0 349.347 -1.266 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)o1 ZINC001019121440 672977988 /nfs/dbraw/zinc/97/79/88/672977988.db2.gz VHARVKLUVBBOEL-DTWKUNHWSA-N 1 0 334.332 -1.012 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)o1 ZINC001019121441 672977916 /nfs/dbraw/zinc/97/79/16/672977916.db2.gz VHARVKLUVBBOEL-IUCAKERBSA-N 1 0 334.332 -1.012 20 0 EAADRO COc1cnc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nc1 ZINC001019125045 672978536 /nfs/dbraw/zinc/97/85/36/672978536.db2.gz QAMHBXHDKDDEGZ-JTQLQIEISA-N 1 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COc1nccc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001019130790 672978486 /nfs/dbraw/zinc/97/84/86/672978486.db2.gz WHBRVVHFYIGYRU-JTQLQIEISA-N 1 0 348.363 -1.159 20 0 EAADRO O=C(c1ccc2nnnn2c1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019140200 672978702 /nfs/dbraw/zinc/97/87/02/672978702.db2.gz KZWVVXKZKJBBNW-LBPRGKRZSA-N 1 0 344.379 -1.046 20 0 EAADRO O=C(c1ccc2nnnn2c1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019140240 672978561 /nfs/dbraw/zinc/97/85/61/672978561.db2.gz MLPBYPDALKPJOW-QWRGUYRKSA-N 1 0 343.347 -1.266 20 0 EAADRO O=C(c1ccc2nnnn2c1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019140241 672978538 /nfs/dbraw/zinc/97/85/38/672978538.db2.gz MLPBYPDALKPJOW-WDEREUQCSA-N 1 0 343.347 -1.266 20 0 EAADRO O=C(CCc1ccon1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019146965 672979047 /nfs/dbraw/zinc/97/90/47/672979047.db2.gz OUJWFKNKTIBMKO-ZDUSSCGKSA-N 1 0 349.391 -1.244 20 0 EAADRO COc1c[nH]c(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001019149921 672979066 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CCn1cc(CC(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001019176762 672980651 /nfs/dbraw/zinc/98/06/51/672980651.db2.gz LIXLJTBDHFZRSX-JQWIXIFHSA-N 1 0 334.380 -1.164 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001019176972 672980418 /nfs/dbraw/zinc/98/04/18/672980418.db2.gz WIGKMVXKUBZLOK-MJBXVCDLSA-N 1 0 340.424 -1.458 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001019176991 672980657 /nfs/dbraw/zinc/98/06/57/672980657.db2.gz XFMBCPQPEUSNPY-NSHDSACASA-N 1 0 349.395 -1.417 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001019181344 672980653 /nfs/dbraw/zinc/98/06/53/672980653.db2.gz CQALDVAIVNUIBK-AEJSXWLSSA-N 1 0 346.409 -2.646 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001019181345 672980484 /nfs/dbraw/zinc/98/04/84/672980484.db2.gz CQALDVAIVNUIBK-GUBZILKMSA-N 1 0 346.409 -2.646 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)C(N)=O ZINC001019181364 672980439 /nfs/dbraw/zinc/98/04/39/672980439.db2.gz DOAXONBWHLXZCT-DLOVCJGASA-N 1 0 334.380 -1.180 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)C(N)=O ZINC001019181365 672980543 /nfs/dbraw/zinc/98/05/43/672980543.db2.gz DOAXONBWHLXZCT-WCQGTBRESA-N 1 0 334.380 -1.180 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001019181397 672980615 /nfs/dbraw/zinc/98/06/15/672980615.db2.gz GKACDMJKWSBERG-CIUDSAMLSA-N 1 0 332.382 -3.036 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001019181398 672980627 /nfs/dbraw/zinc/98/06/27/672980627.db2.gz GKACDMJKWSBERG-VGMNWLOBSA-N 1 0 332.382 -3.036 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019181421 672980588 /nfs/dbraw/zinc/98/05/88/672980588.db2.gz GZQSWEOPBKTCMR-DLOVCJGASA-N 1 0 332.364 -1.556 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019181422 672981064 /nfs/dbraw/zinc/98/10/64/672981064.db2.gz GZQSWEOPBKTCMR-WCQGTBRESA-N 1 0 332.364 -1.556 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019181460 672981061 /nfs/dbraw/zinc/98/10/61/672981061.db2.gz JYAZEXRRLOBTDP-RYUDHWBXSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019181528 672981052 /nfs/dbraw/zinc/98/10/52/672981052.db2.gz NDAMUBVFDQRPET-DRZSPHRISA-N 1 0 346.391 -1.165 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019181529 672981055 /nfs/dbraw/zinc/98/10/55/672981055.db2.gz NDAMUBVFDQRPET-UHTWSYAYSA-N 1 0 346.391 -1.165 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1=O ZINC001019181551 672981009 /nfs/dbraw/zinc/98/10/09/672981009.db2.gz OFPQOXXMPDCPFY-DRZSPHRISA-N 1 0 346.391 -1.213 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1=O ZINC001019181552 672981071 /nfs/dbraw/zinc/98/10/71/672981071.db2.gz OFPQOXXMPDCPFY-UHTWSYAYSA-N 1 0 346.391 -1.213 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001019181727 672980938 /nfs/dbraw/zinc/98/09/38/672980938.db2.gz SVYLBJKDWLIKIA-GWCFXTLKSA-N 1 0 344.379 -1.115 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019181734 672980866 /nfs/dbraw/zinc/98/08/66/672980866.db2.gz UARLTFSMBYCSHV-AEJSXWLSSA-N 1 0 344.393 -3.021 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019181735 672980945 /nfs/dbraw/zinc/98/09/45/672980945.db2.gz UARLTFSMBYCSHV-GUBZILKMSA-N 1 0 344.393 -3.021 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019181759 672981057 /nfs/dbraw/zinc/98/10/57/672981057.db2.gz VDTRONMLYYIHHZ-AAEUAGOBSA-N 1 0 344.379 -1.152 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019181784 672980978 /nfs/dbraw/zinc/98/09/78/672980978.db2.gz WGPQOSJFWNKNSE-RYUDHWBXSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)N1CCC1 ZINC001019181938 672980901 /nfs/dbraw/zinc/98/09/01/672980901.db2.gz YOHZNWZWAMPVGV-AAEUAGOBSA-N 1 0 346.391 -1.212 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019181951 672981060 /nfs/dbraw/zinc/98/10/60/672981060.db2.gz ZLPAVRRXROXICQ-SRVKXCTJSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001019181952 672981058 /nfs/dbraw/zinc/98/10/58/672981058.db2.gz ZLPAVRRXROXICQ-WOPDTQHZSA-N 1 0 345.421 -1.873 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)c1=O ZINC001019184201 672980954 /nfs/dbraw/zinc/98/09/54/672980954.db2.gz GYMHBGVNEVFUPO-NWDGAFQWSA-N 1 0 336.396 -1.607 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)c1=O ZINC001019184202 672981618 /nfs/dbraw/zinc/98/16/18/672981618.db2.gz GYMHBGVNEVFUPO-RYUDHWBXSA-N 1 0 336.396 -1.607 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CNC(=O)C1 ZINC001019184441 672981611 /nfs/dbraw/zinc/98/16/11/672981611.db2.gz QDRJGJMVILEVDP-BONVTDFDSA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CNC(=O)C1 ZINC001019184442 672981373 /nfs/dbraw/zinc/98/13/73/672981373.db2.gz QDRJGJMVILEVDP-ZUZCIYMTSA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CNC(=O)C1 ZINC001019184458 672981423 /nfs/dbraw/zinc/98/14/23/672981423.db2.gz RLOPNMXRHWZKFA-MEDUHNTESA-N 1 0 336.392 -1.148 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CNC(=O)C1 ZINC001019184459 672981463 /nfs/dbraw/zinc/98/14/63/672981463.db2.gz RLOPNMXRHWZKFA-ZBEGNZNMSA-N 1 0 336.392 -1.148 20 0 EAADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CNC(=O)C1 ZINC001019184532 672981474 /nfs/dbraw/zinc/98/14/74/672981474.db2.gz URAIBYQLDQWSRN-BLLLJJGKSA-N 1 0 338.408 -1.438 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CNC(=O)C1 ZINC001019184533 672981496 /nfs/dbraw/zinc/98/14/96/672981496.db2.gz URAIBYQLDQWSRN-LRDDRELGSA-N 1 0 338.408 -1.438 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)c1=O ZINC001019184666 672981623 /nfs/dbraw/zinc/98/16/23/672981623.db2.gz ZTSZQTIMECZLGF-LBPRGKRZSA-N 1 0 334.384 -1.546 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001019188159 672981417 /nfs/dbraw/zinc/98/14/17/672981417.db2.gz BJPRSARAMRPGTR-NWDGAFQWSA-N 1 0 336.396 -1.559 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001019188160 672981381 /nfs/dbraw/zinc/98/13/81/672981381.db2.gz BJPRSARAMRPGTR-RYUDHWBXSA-N 1 0 336.396 -1.559 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)co1 ZINC001019188217 672981547 /nfs/dbraw/zinc/98/15/47/672981547.db2.gz FGQNSOOGVIZCMU-UWVGGRQHSA-N 1 0 334.332 -1.012 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)co1 ZINC001019188218 672981555 /nfs/dbraw/zinc/98/15/55/672981555.db2.gz FGQNSOOGVIZCMU-VHSXEESVSA-N 1 0 334.332 -1.012 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)c1=O ZINC001019188340 672981430 /nfs/dbraw/zinc/98/14/30/672981430.db2.gz LRZRUGIYDZPLBV-LBPRGKRZSA-N 1 0 336.396 -1.605 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+]Cc3cnnn3C)C2)c1=O ZINC001019188360 672981594 /nfs/dbraw/zinc/98/15/94/672981594.db2.gz MPPAFHJUXUJLCZ-NSHDSACASA-N 1 0 334.384 -1.509 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001019188363 672981415 /nfs/dbraw/zinc/98/14/15/672981415.db2.gz MRLCPDITNWLGIR-LBPRGKRZSA-N 1 0 348.411 -1.026 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)co1 ZINC001019189209 672981606 /nfs/dbraw/zinc/98/16/06/672981606.db2.gz AIBHDWBISFMKDD-JTQLQIEISA-N 1 0 349.347 -1.266 20 0 EAADRO O=C(c1ccc(-n2cnnn2)cn1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019189318 672981625 /nfs/dbraw/zinc/98/16/25/672981625.db2.gz GRXYRAIWYLHWES-CMPLNLGQSA-N 1 0 342.363 -1.250 20 0 EAADRO O=C(c1ccc(-n2cnnn2)cn1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019189319 672981352 /nfs/dbraw/zinc/98/13/52/672981352.db2.gz GRXYRAIWYLHWES-JQWIXIFHSA-N 1 0 342.363 -1.250 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1)C(N)=O ZINC001019189459 672981572 /nfs/dbraw/zinc/98/15/72/672981572.db2.gz MGKSVDAYOTYAAD-UWVGGRQHSA-N 1 0 330.352 -1.265 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1)C(N)=O ZINC001019189460 672981376 /nfs/dbraw/zinc/98/13/76/672981376.db2.gz MGKSVDAYOTYAAD-ZJUUUORDSA-N 1 0 330.352 -1.265 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)N(C(C)=O)C1 ZINC001019194507 672982111 /nfs/dbraw/zinc/98/21/11/672982111.db2.gz BDAVHINQYRRODI-IGQOVBAYSA-N 1 0 338.408 -1.299 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)N(C(C)=O)C1 ZINC001019194510 672982067 /nfs/dbraw/zinc/98/20/67/672982067.db2.gz BDAVHINQYRRODI-XDQVBPFNSA-N 1 0 338.408 -1.299 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N2CC[C@H]([NH2+][C@H](C)C(N)=O)C2)N(C(C)=O)C1 ZINC001019195348 672981950 /nfs/dbraw/zinc/98/19/50/672981950.db2.gz XBJCSLOVUMRYIH-LPTSXCQYSA-N 1 0 326.397 -1.314 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N2CC[C@H]([NH2+][C@@H](C)C(N)=O)C2)N(C(C)=O)C1 ZINC001019195349 672982063 /nfs/dbraw/zinc/98/20/63/672982063.db2.gz XBJCSLOVUMRYIH-XYJRDEOASA-N 1 0 326.397 -1.314 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2csnn2)C1)N1CCNC(=O)C1 ZINC001019205152 672982413 /nfs/dbraw/zinc/98/24/13/672982413.db2.gz SUDXCRHFIDJSCR-VIFPVBQESA-N 1 0 338.393 -1.699 20 0 EAADRO O=C(Cn1cnnn1)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001019209877 672982575 /nfs/dbraw/zinc/98/25/75/672982575.db2.gz JDLKAADIYBCYPW-UHFFFAOYSA-N 1 0 345.407 -1.170 20 0 EAADRO Cn1nnc(C(=O)N2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)C2)n1 ZINC001019210043 672982613 /nfs/dbraw/zinc/98/26/13/672982613.db2.gz PVHYZYPEGRNVFN-UHFFFAOYSA-N 1 0 345.407 -1.020 20 0 EAADRO O=C(Cn1ncnn1)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001019211023 672982405 /nfs/dbraw/zinc/98/24/05/672982405.db2.gz JWSAQLXOAFWTRZ-UHFFFAOYSA-N 1 0 345.407 -1.170 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001019211071 672982409 /nfs/dbraw/zinc/98/24/09/672982409.db2.gz LGYSZTKRGPXCDY-GFCCVEGCSA-N 1 0 347.419 -1.176 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001019211072 672982536 /nfs/dbraw/zinc/98/25/36/672982536.db2.gz LGYSZTKRGPXCDY-LBPRGKRZSA-N 1 0 347.419 -1.176 20 0 EAADRO O=C(CCn1ccnc1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019212633 672982336 /nfs/dbraw/zinc/98/23/36/672982336.db2.gz DPBHTIVQEWGMMD-ZDUSSCGKSA-N 1 0 348.407 -1.578 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001019213903 672982807 /nfs/dbraw/zinc/98/28/07/672982807.db2.gz ADMSOHHJOHMOOD-MNOVXSKESA-N 1 0 332.364 -1.440 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001019213904 672983029 /nfs/dbraw/zinc/98/30/29/672983029.db2.gz ADMSOHHJOHMOOD-QWRGUYRKSA-N 1 0 332.364 -1.440 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001019214101 672983078 /nfs/dbraw/zinc/98/30/78/672983078.db2.gz KDKFJMQMILCVKX-NWDGAFQWSA-N 1 0 346.391 -1.050 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001019214102 672982768 /nfs/dbraw/zinc/98/27/68/672982768.db2.gz KDKFJMQMILCVKX-RYUDHWBXSA-N 1 0 346.391 -1.050 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+][C@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001019214788 672982877 /nfs/dbraw/zinc/98/28/77/672982877.db2.gz AFGABFQHSRGVKH-APPZFPTMSA-N 1 0 333.356 -1.628 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001019214789 672982923 /nfs/dbraw/zinc/98/29/23/672982923.db2.gz AFGABFQHSRGVKH-CBAPKCEASA-N 1 0 333.356 -1.628 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1)C(N)=O ZINC001019214961 672983009 /nfs/dbraw/zinc/98/30/09/672983009.db2.gz FAXLGOOIBPIHDU-UWVGGRQHSA-N 1 0 347.383 -1.238 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1)C(N)=O ZINC001019214968 672983046 /nfs/dbraw/zinc/98/30/46/672983046.db2.gz 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Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001019224431 672982989 /nfs/dbraw/zinc/98/29/89/672982989.db2.gz QHIJLGHWGFIVHJ-NSHDSACASA-N 1 0 342.425 -1.047 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019224695 672983067 /nfs/dbraw/zinc/98/30/67/672983067.db2.gz CVFKHUJHLKRNHA-JTQLQIEISA-N 1 0 335.368 -2.124 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001019225262 672982939 /nfs/dbraw/zinc/98/29/39/672982939.db2.gz RNYJZSNFPSMLDL-JTQLQIEISA-N 1 0 347.379 -1.485 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)c1=O ZINC001019226608 672983520 /nfs/dbraw/zinc/98/35/20/672983520.db2.gz PBWHFSUTIWFNFU-JTQLQIEISA-N 1 0 335.364 -1.478 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c1=O ZINC001019227462 672983533 /nfs/dbraw/zinc/98/35/33/672983533.db2.gz BLVKEVWPJHWOBG-WCBMZHEXSA-N 1 0 349.347 -1.905 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c1=O 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CCn1nncc1C[NH2+][C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001019721440 673020511 /nfs/dbraw/zinc/02/05/11/673020511.db2.gz OUJJVBRYPYKESB-LBPRGKRZSA-N 1 0 348.411 -1.108 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)c(=O)n1C ZINC001019722489 673021130 /nfs/dbraw/zinc/02/11/30/673021130.db2.gz AQHXQMCUQZRUQP-NWDGAFQWSA-N 1 0 336.396 -1.641 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)c(=O)n1C ZINC001019722490 673021188 /nfs/dbraw/zinc/02/11/88/673021188.db2.gz AQHXQMCUQZRUQP-RYUDHWBXSA-N 1 0 336.396 -1.641 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)c(=O)n1C ZINC001019722620 673021050 /nfs/dbraw/zinc/02/10/50/673021050.db2.gz IFJGQBUYGFYTDZ-NWDGAFQWSA-N 1 0 336.396 -1.689 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)c(=O)n1C ZINC001019722621 673020925 /nfs/dbraw/zinc/02/09/25/673020925.db2.gz IFJGQBUYGFYTDZ-RYUDHWBXSA-N 1 0 336.396 -1.689 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)c(=O)n1C ZINC001019722681 673020908 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ZINC001019784222 673023487 /nfs/dbraw/zinc/02/34/87/673023487.db2.gz CBRIEZMUYSRHQD-STQMWFEESA-N 1 0 341.437 -1.155 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019784235 673023537 /nfs/dbraw/zinc/02/35/37/673023537.db2.gz CDQBKFRRRIEINJ-QWRGUYRKSA-N 1 0 328.398 -1.840 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019784238 673023740 /nfs/dbraw/zinc/02/37/40/673023740.db2.gz CDQBKFRRRIEINJ-WDEREUQCSA-N 1 0 328.398 -1.840 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1)N1CCCC1 ZINC001019784240 673023673 /nfs/dbraw/zinc/02/36/73/673023673.db2.gz CIHCUSIMERJKHQ-NWDGAFQWSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)N1CCCC1 ZINC001019784250 673023492 /nfs/dbraw/zinc/02/34/92/673023492.db2.gz CIHCUSIMERJKHQ-RYUDHWBXSA-N 1 0 344.437 -1.509 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019784548 673023732 /nfs/dbraw/zinc/02/37/32/673023732.db2.gz JVCUJYMFYOWASW-AAEUAGOBSA-N 1 0 341.437 -1.155 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001019784549 673024001 /nfs/dbraw/zinc/02/40/01/673024001.db2.gz JVCUJYMFYOWASW-WCQYABFASA-N 1 0 341.437 -1.155 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019785010 673024019 /nfs/dbraw/zinc/02/40/19/673024019.db2.gz QUROZSQRPHUHBJ-QWRGUYRKSA-N 1 0 345.425 -2.106 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019785011 673024012 /nfs/dbraw/zinc/02/40/12/673024012.db2.gz QUROZSQRPHUHBJ-WDEREUQCSA-N 1 0 345.425 -2.106 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001019785016 673023767 /nfs/dbraw/zinc/02/37/67/673023767.db2.gz RCODHWXRVSMYAR-NWDGAFQWSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001019785017 673023717 /nfs/dbraw/zinc/02/37/17/673023717.db2.gz RCODHWXRVSMYAR-RYUDHWBXSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019785154 673023540 /nfs/dbraw/zinc/02/35/40/673023540.db2.gz VGQRYSQOXSHPLX-NWDGAFQWSA-N 1 0 327.410 -1.235 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019785155 673023760 /nfs/dbraw/zinc/02/37/60/673023760.db2.gz VGQRYSQOXSHPLX-RYUDHWBXSA-N 1 0 327.410 -1.235 20 0 EAADRO NC(=O)c1cncc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001019786019 673023897 /nfs/dbraw/zinc/02/38/97/673023897.db2.gz OZIDTEZGJZVQQM-NWDGAFQWSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1cncc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c1 ZINC001019786020 673023619 /nfs/dbraw/zinc/02/36/19/673023619.db2.gz OZIDTEZGJZVQQM-RYUDHWBXSA-N 1 0 345.359 -1.210 20 0 EAADRO Cc1nccc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001019786400 673023508 /nfs/dbraw/zinc/02/35/08/673023508.db2.gz YGMMIQYQDPTVJD-LBPRGKRZSA-N 1 0 346.391 -1.452 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001019787417 673024533 /nfs/dbraw/zinc/02/45/33/673024533.db2.gz LJPQTFGYGWQTIV-NWDGAFQWSA-N 1 0 327.410 -1.198 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001019787418 673024325 /nfs/dbraw/zinc/02/43/25/673024325.db2.gz LJPQTFGYGWQTIV-RYUDHWBXSA-N 1 0 327.410 -1.198 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001019787431 673024267 /nfs/dbraw/zinc/02/42/67/673024267.db2.gz MCAICZZHHUJSQF-NWDGAFQWSA-N 1 0 327.410 -1.198 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001019787432 673024358 /nfs/dbraw/zinc/02/43/58/673024358.db2.gz MCAICZZHHUJSQF-RYUDHWBXSA-N 1 0 327.410 -1.198 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001019787477 673024278 /nfs/dbraw/zinc/02/42/78/673024278.db2.gz OIYZXWIEPPTQOF-CMPLNLGQSA-N 1 0 342.425 -1.320 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019787478 673024670 /nfs/dbraw/zinc/02/46/70/673024670.db2.gz OIYZXWIEPPTQOF-JQWIXIFHSA-N 1 0 342.425 -1.320 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)N1CCC1 ZINC001019787577 673024135 /nfs/dbraw/zinc/02/41/35/673024135.db2.gz SUJCEMFLKQFUGH-QWRGUYRKSA-N 1 0 330.410 -1.899 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1)N1CCC1 ZINC001019787578 673024370 /nfs/dbraw/zinc/02/43/70/673024370.db2.gz SUJCEMFLKQFUGH-WDEREUQCSA-N 1 0 330.410 -1.899 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001019787622 673024479 /nfs/dbraw/zinc/02/44/79/673024479.db2.gz VTJALZFQNCZGQR-CMPLNLGQSA-N 1 0 327.410 -1.198 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019787623 673024185 /nfs/dbraw/zinc/02/41/85/673024185.db2.gz VTJALZFQNCZGQR-JQWIXIFHSA-N 1 0 327.410 -1.198 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001019787642 673024316 /nfs/dbraw/zinc/02/43/16/673024316.db2.gz WNOZUIKCIFSWOV-GXSJLCMTSA-N 1 0 328.398 -1.803 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019787643 673024214 /nfs/dbraw/zinc/02/42/14/673024214.db2.gz WNOZUIKCIFSWOV-ONGXEEELSA-N 1 0 328.398 -1.803 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001019787664 673024348 /nfs/dbraw/zinc/02/43/48/673024348.db2.gz XSCOGJACHWPDOC-CMPLNLGQSA-N 1 0 327.410 -1.198 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019787665 673024223 /nfs/dbraw/zinc/02/42/23/673024223.db2.gz XSCOGJACHWPDOC-JQWIXIFHSA-N 1 0 327.410 -1.198 20 0 EAADRO O=C(CCN1CCCC1=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019789526 673024604 /nfs/dbraw/zinc/02/46/04/673024604.db2.gz DGLUHVBDFBKREF-NWDGAFQWSA-N 1 0 336.392 -1.005 20 0 EAADRO O=C(CCN1CCCC1=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019789527 673024652 /nfs/dbraw/zinc/02/46/52/673024652.db2.gz DGLUHVBDFBKREF-RYUDHWBXSA-N 1 0 336.392 -1.005 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019794079 673024597 /nfs/dbraw/zinc/02/45/97/673024597.db2.gz OKFBKPPFWFQCQP-KBPBESRZSA-N 1 0 336.396 -1.284 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019794080 673024166 /nfs/dbraw/zinc/02/41/66/673024166.db2.gz OKFBKPPFWFQCQP-UONOGXRCSA-N 1 0 336.396 -1.284 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001019794996 673025028 /nfs/dbraw/zinc/02/50/28/673025028.db2.gz DCQSLLROVSIAKE-KBPBESRZSA-N 1 0 338.408 -1.344 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001019794997 673024830 /nfs/dbraw/zinc/02/48/30/673024830.db2.gz DCQSLLROVSIAKE-UONOGXRCSA-N 1 0 338.408 -1.344 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1)N1CCC1 ZINC001019795178 673025360 /nfs/dbraw/zinc/02/53/60/673025360.db2.gz LIQBUDJAUWPNEI-NWDGAFQWSA-N 1 0 329.422 -1.014 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1)N1CCC1 ZINC001019795179 673025273 /nfs/dbraw/zinc/02/52/73/673025273.db2.gz LIQBUDJAUWPNEI-RYUDHWBXSA-N 1 0 329.422 -1.014 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001019795461 673025063 /nfs/dbraw/zinc/02/50/63/673025063.db2.gz WIFACSCZVYKWFG-GXTWGEPZSA-N 1 0 336.396 -1.247 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001019795462 673025010 /nfs/dbraw/zinc/02/50/10/673025010.db2.gz WIFACSCZVYKWFG-JSGCOSHPSA-N 1 0 336.396 -1.247 20 0 EAADRO O=C([C@H]1CCCS1(=O)=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019796417 673024971 /nfs/dbraw/zinc/02/49/71/673024971.db2.gz LQLJFLULKDGUOK-NWDGAFQWSA-N 1 0 344.437 -1.221 20 0 EAADRO O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019796418 673025020 /nfs/dbraw/zinc/02/50/20/673025020.db2.gz LQLJFLULKDGUOK-RYUDHWBXSA-N 1 0 344.437 -1.221 20 0 EAADRO O=C(Cc1ccc[nH]1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019799668 668858304 /nfs/dbraw/zinc/85/83/04/668858304.db2.gz YNBJYFNWPMQYKP-ZDUSSCGKSA-N 1 0 333.392 -1.294 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019800291 673025300 /nfs/dbraw/zinc/02/53/00/673025300.db2.gz DOHYNJGDBPIVGC-KBPBESRZSA-N 1 0 339.440 -1.077 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019800292 673025235 /nfs/dbraw/zinc/02/52/35/673025235.db2.gz DOHYNJGDBPIVGC-UONOGXRCSA-N 1 0 339.440 -1.077 20 0 EAADRO NC(=O)c1ncccc1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019803673 668858350 /nfs/dbraw/zinc/85/83/50/668858350.db2.gz JNPHIEYAJJHOOL-GXSJLCMTSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1ncccc1C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019803674 668858451 /nfs/dbraw/zinc/85/84/51/668858451.db2.gz JNPHIEYAJJHOOL-ONGXEEELSA-N 1 0 345.359 -1.210 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820211 673025753 /nfs/dbraw/zinc/02/57/53/673025753.db2.gz ARVOLBIMVYAVHI-JTQLQIEISA-N 1 0 332.368 -1.499 20 0 EAADRO Cc1nccnc1C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820225 673025901 /nfs/dbraw/zinc/02/59/01/673025901.db2.gz BCAZZXBDPWDXSQ-NSHDSACASA-N 1 0 344.379 -1.134 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CC3CCOCC3)C2)nn1 ZINC001019820238 673025732 /nfs/dbraw/zinc/02/57/32/673025732.db2.gz BPFXIZNEUJOFRN-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)nn1 ZINC001019820298 673025543 /nfs/dbraw/zinc/02/55/43/673025543.db2.gz DYLWOOWPXSRIBO-JTQLQIEISA-N 1 0 333.356 -2.141 20 0 EAADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)ncn1 ZINC001019820299 673025567 /nfs/dbraw/zinc/02/55/67/673025567.db2.gz DZKUJRLXOMSELC-NSHDSACASA-N 1 0 344.379 -1.134 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCCOC3)C2)nn1 ZINC001019820377 673025841 /nfs/dbraw/zinc/02/58/41/673025841.db2.gz HYLIOJFGNXWKNM-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)nn1 ZINC001019820378 673025889 /nfs/dbraw/zinc/02/58/89/673025889.db2.gz HYLIOJFGNXWKNM-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)nn1 ZINC001019820388 673025921 /nfs/dbraw/zinc/02/59/21/673025921.db2.gz IJCIMWXPSJXXFJ-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CC[C@H]3CCOC3)C2)nn1 ZINC001019820389 673025864 /nfs/dbraw/zinc/02/58/64/673025864.db2.gz IJCIMWXPSJXXFJ-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001019820393 673025893 /nfs/dbraw/zinc/02/58/93/673025893.db2.gz IMPAKQQBKMDQNI-UWVGGRQHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001019820394 673025702 /nfs/dbraw/zinc/02/57/02/673025702.db2.gz IMPAKQQBKMDQNI-VHSXEESVSA-N 1 0 335.368 -2.154 20 0 EAADRO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001019820420 673025912 /nfs/dbraw/zinc/02/59/12/673025912.db2.gz JREGEZUIJHRLRE-NSHDSACASA-N 1 0 344.379 -1.134 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001019820453 673025795 /nfs/dbraw/zinc/02/57/95/673025795.db2.gz KWRURKAKLHQVFP-JTQLQIEISA-N 1 0 335.368 -2.200 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001019820478 673025668 /nfs/dbraw/zinc/02/56/68/673025668.db2.gz LPPQVSZCTQDNBE-QWRGUYRKSA-N 1 0 349.395 -1.812 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001019820479 673025740 /nfs/dbraw/zinc/02/57/40/673025740.db2.gz LPPQVSZCTQDNBE-WDEREUQCSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001019820535 673025719 /nfs/dbraw/zinc/02/57/19/673025719.db2.gz OJNIXHPNNMEGQA-QWRGUYRKSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001019820536 673025768 /nfs/dbraw/zinc/02/57/68/673025768.db2.gz OJNIXHPNNMEGQA-WDEREUQCSA-N 1 0 349.395 -1.812 20 0 EAADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1C ZINC001019820555 673025788 /nfs/dbraw/zinc/02/57/88/673025788.db2.gz PDFPFAZCTWJOSG-NSHDSACASA-N 1 0 346.395 -1.190 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820608 673026385 /nfs/dbraw/zinc/02/63/85/673026385.db2.gz QVFSKZUHOXYIFV-NSHDSACASA-N 1 0 346.395 -1.456 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)nn1 ZINC001019820612 673026448 /nfs/dbraw/zinc/02/64/48/673026448.db2.gz RCDSTKKQFRAKMZ-NSHDSACASA-N 1 0 349.395 -1.810 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820632 673026158 /nfs/dbraw/zinc/02/61/58/673026158.db2.gz ROYRDGIATRFFOO-VIFPVBQESA-N 1 0 333.356 -2.104 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001019820646 673026120 /nfs/dbraw/zinc/02/61/20/673026120.db2.gz RYLKTWNYVMEIHD-NSHDSACASA-N 1 0 332.368 -1.499 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)C2)nn1 ZINC001019820647 673026368 /nfs/dbraw/zinc/02/63/68/673026368.db2.gz RZNLOEICBJMORT-NSHDSACASA-N 1 0 349.395 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001019820673 668858625 /nfs/dbraw/zinc/85/86/25/668858625.db2.gz TZGHNRJRYTWZHI-DTWKUNHWSA-N 1 0 349.351 -2.627 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001019820674 668858605 /nfs/dbraw/zinc/85/86/05/668858605.db2.gz TZGHNRJRYTWZHI-IUCAKERBSA-N 1 0 349.351 -2.627 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)nn1 ZINC001019820696 668858713 /nfs/dbraw/zinc/85/87/13/668858713.db2.gz VBZGZYAVIKWASR-NSHDSACASA-N 1 0 332.368 -1.536 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001019820709 668858562 /nfs/dbraw/zinc/85/85/62/668858562.db2.gz VIRRXABGARCVLE-NSHDSACASA-N 1 0 332.368 -1.499 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001019820722 668858774 /nfs/dbraw/zinc/85/87/74/668858774.db2.gz VZMQSRXBZGBKKL-UWVGGRQHSA-N 1 0 335.368 -2.202 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001019820723 668858595 /nfs/dbraw/zinc/85/85/95/668858595.db2.gz VZMQSRXBZGBKKL-VHSXEESVSA-N 1 0 335.368 -2.202 20 0 EAADRO CCn1ccc(C[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001019820730 668858660 /nfs/dbraw/zinc/85/86/60/668858660.db2.gz WICRUCPCFXIDSW-LBPRGKRZSA-N 1 0 346.395 -1.016 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820733 668858632 /nfs/dbraw/zinc/85/86/32/668858632.db2.gz WKEXTDFYNIENCB-JTQLQIEISA-N 1 0 332.368 -1.499 20 0 EAADRO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001019820766 668858743 /nfs/dbraw/zinc/85/87/43/668858743.db2.gz XWDFUKZRZZZARR-LBPRGKRZSA-N 1 0 344.379 -1.134 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001019820777 668858771 /nfs/dbraw/zinc/85/87/71/668858771.db2.gz YHBAXDPADCMZMV-LBPRGKRZSA-N 1 0 346.395 -1.456 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820793 668858722 /nfs/dbraw/zinc/85/87/22/668858722.db2.gz YSSGPMOGDABMSB-JTQLQIEISA-N 1 0 347.383 -1.621 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820794 668858697 /nfs/dbraw/zinc/85/86/97/668858697.db2.gz YTSVUWKLUOGIGU-LBPRGKRZSA-N 1 0 346.395 -1.190 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1)C(N)=O ZINC001019822765 673026192 /nfs/dbraw/zinc/02/61/92/673026192.db2.gz ARWVQAMYPDJLJQ-UWVGGRQHSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1)C(N)=O ZINC001019822766 673026420 /nfs/dbraw/zinc/02/64/20/673026420.db2.gz ARWVQAMYPDJLJQ-ZJUUUORDSA-N 1 0 337.384 -1.956 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001019822987 668858999 /nfs/dbraw/zinc/85/89/99/668858999.db2.gz VGVXPQOYOMOVRE-QWRGUYRKSA-N 1 0 349.395 -1.941 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001019822988 668858960 /nfs/dbraw/zinc/85/89/60/668858960.db2.gz VGVXPQOYOMOVRE-WDEREUQCSA-N 1 0 349.395 -1.941 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)n(C)c1=O ZINC001019834662 673027003 /nfs/dbraw/zinc/02/70/03/673027003.db2.gz CBKSJTWSIKSYBU-NSHDSACASA-N 1 0 349.391 -1.323 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)n(C)c1=O ZINC001019834855 673026982 /nfs/dbraw/zinc/02/69/82/673026982.db2.gz MWCDWTBCRWSKMD-NSHDSACASA-N 1 0 336.396 -1.447 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001019837518 673026640 /nfs/dbraw/zinc/02/66/40/673026640.db2.gz XDTOALZWSMHQMW-UWVGGRQHSA-N 1 0 335.364 -1.667 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001019837519 673026588 /nfs/dbraw/zinc/02/65/88/673026588.db2.gz XDTOALZWSMHQMW-VHSXEESVSA-N 1 0 335.364 -1.667 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019838472 673026736 /nfs/dbraw/zinc/02/67/36/673026736.db2.gz NRMKBEUZTMPWTR-RWMBFGLXSA-N 1 0 336.392 -1.007 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019838473 673026960 /nfs/dbraw/zinc/02/69/60/673026960.db2.gz NRMKBEUZTMPWTR-YNEHKIRRSA-N 1 0 336.392 -1.007 20 0 EAADRO NC(=O)c1cccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001019843109 673026763 /nfs/dbraw/zinc/02/67/63/673026763.db2.gz WFAOKFRNRLGKFS-GXSJLCMTSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1cccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001019843110 673027024 /nfs/dbraw/zinc/02/70/24/673027024.db2.gz WFAOKFRNRLGKFS-ONGXEEELSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001019864086 673028105 /nfs/dbraw/zinc/02/81/05/673028105.db2.gz UHCIKDNQNSKDEF-QWRGUYRKSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001019864087 673027917 /nfs/dbraw/zinc/02/79/17/673027917.db2.gz UHCIKDNQNSKDEF-WDEREUQCSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)CC(=O)N1CC[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001019865951 673028989 /nfs/dbraw/zinc/02/89/89/673028989.db2.gz DTWLMFWKHUMTPV-CHWSQXEVSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001019865952 673028966 /nfs/dbraw/zinc/02/89/66/673028966.db2.gz DTWLMFWKHUMTPV-OLZOCXBDSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)CC(=O)N1CC[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001019865953 673028984 /nfs/dbraw/zinc/02/89/84/673028984.db2.gz DTWLMFWKHUMTPV-QWHCGFSZSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001019865954 673029124 /nfs/dbraw/zinc/02/91/24/673029124.db2.gz DTWLMFWKHUMTPV-STQMWFEESA-N 1 0 338.408 -1.214 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2CCN(C(=O)Cn3ccnc3)C2)n(C)c1=O ZINC001019869182 673029838 /nfs/dbraw/zinc/02/98/38/673029838.db2.gz TVDQWTCPKKYVHH-LBPRGKRZSA-N 1 0 346.391 -1.329 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001019869211 673029948 /nfs/dbraw/zinc/02/99/48/673029948.db2.gz UGMGRTMPJSFXTP-CMPLNLGQSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001019869212 673029962 /nfs/dbraw/zinc/02/99/62/673029962.db2.gz UGMGRTMPJSFXTP-JQWIXIFHSA-N 1 0 345.359 -1.210 20 0 EAADRO O=C(Cn1ccnc1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019869254 673029886 /nfs/dbraw/zinc/02/98/86/673029886.db2.gz WTMPLRCBRWEYDN-LBPRGKRZSA-N 1 0 334.380 -1.968 20 0 EAADRO Cc1nonc1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019873370 673029986 /nfs/dbraw/zinc/02/99/86/673029986.db2.gz GIIPEDRIJPIRNP-JTQLQIEISA-N 1 0 336.352 -1.859 20 0 EAADRO Cc1nonc1C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001019873527 673029731 /nfs/dbraw/zinc/02/97/31/673029731.db2.gz OJTWIARDIYSCPA-JTQLQIEISA-N 1 0 348.363 -1.220 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019875857 673030247 /nfs/dbraw/zinc/03/02/47/673030247.db2.gz FYGXSWIBJOCYCQ-AXFHLTTASA-N 1 0 337.380 -1.475 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019875858 673030355 /nfs/dbraw/zinc/03/03/55/673030355.db2.gz FYGXSWIBJOCYCQ-DCAQKATOSA-N 1 0 337.380 -1.475 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019876089 673030489 /nfs/dbraw/zinc/03/04/89/673030489.db2.gz RQSGMKOBYSRXPR-RYUDHWBXSA-N 1 0 338.412 -1.255 20 0 EAADRO CCn1nc(C)c(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001019881977 673031222 /nfs/dbraw/zinc/03/12/22/673031222.db2.gz NZWLBUOTDMCUEK-NSHDSACASA-N 1 0 349.395 -1.038 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)nn1 ZINC001019883754 673031596 /nfs/dbraw/zinc/03/15/96/673031596.db2.gz COHCURBVWKSDQT-LBPRGKRZSA-N 1 0 335.412 -1.037 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001019883976 673031545 /nfs/dbraw/zinc/03/15/45/673031545.db2.gz OODZMKZSIYWAJS-CMPLNLGQSA-N 1 0 334.380 -1.257 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001019883977 673031559 /nfs/dbraw/zinc/03/15/59/673031559.db2.gz OODZMKZSIYWAJS-JQWIXIFHSA-N 1 0 334.380 -1.257 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001019884437 668859784 /nfs/dbraw/zinc/85/97/84/668859784.db2.gz DARVIRHQEJFSMF-CHWSQXEVSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001019884438 668859835 /nfs/dbraw/zinc/85/98/35/668859835.db2.gz DARVIRHQEJFSMF-OLZOCXBDSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001019884439 668859805 /nfs/dbraw/zinc/85/98/05/668859805.db2.gz DARVIRHQEJFSMF-QWHCGFSZSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001019884440 668859789 /nfs/dbraw/zinc/85/97/89/668859789.db2.gz DARVIRHQEJFSMF-STQMWFEESA-N 1 0 338.408 -1.214 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001019886589 673031722 /nfs/dbraw/zinc/03/17/22/673031722.db2.gz WOPSBSYILLPRRR-NSHDSACASA-N 1 0 349.395 -1.510 20 0 EAADRO Cc1nc[nH]c1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019889421 673031649 /nfs/dbraw/zinc/03/16/49/673031649.db2.gz PTRKMBUOMVWVLU-NSHDSACASA-N 1 0 334.380 -1.519 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@@H]3OCCN(C(=O)C(N)=O)[C@@H]3C2)CCC1 ZINC001019890965 673031485 /nfs/dbraw/zinc/03/14/85/673031485.db2.gz JXAQXLPTLFVDGF-NEPJUHHUSA-N 1 0 338.408 -1.216 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)CCC1 ZINC001019890966 673031732 /nfs/dbraw/zinc/03/17/32/673031732.db2.gz JXAQXLPTLFVDGF-NWDGAFQWSA-N 1 0 338.408 -1.216 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)CCC1 ZINC001019890967 673031580 /nfs/dbraw/zinc/03/15/80/673031580.db2.gz JXAQXLPTLFVDGF-RYUDHWBXSA-N 1 0 338.408 -1.216 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@H]3OCCN(C(=O)C(N)=O)[C@@H]3C2)CCC1 ZINC001019890968 673031386 /nfs/dbraw/zinc/03/13/86/673031386.db2.gz JXAQXLPTLFVDGF-VXGBXAGGSA-N 1 0 338.408 -1.216 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1)N1CCCC1 ZINC001019892466 673032121 /nfs/dbraw/zinc/03/21/21/673032121.db2.gz KXXCCENZEMKXKH-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1)N1CCCC1 ZINC001019892467 673031963 /nfs/dbraw/zinc/03/19/63/673031963.db2.gz KXXCCENZEMKXKH-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)N1CCOCC1 ZINC001019892509 673031929 /nfs/dbraw/zinc/03/19/29/673031929.db2.gz MSLINIKLBOCHRV-KBPBESRZSA-N 1 0 339.440 -1.077 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N1CCOCC1 ZINC001019892741 673031948 /nfs/dbraw/zinc/03/19/48/673031948.db2.gz WKISUKNNHDUIDY-AVGNSLFASA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N1CCOCC1 ZINC001019892742 673032026 /nfs/dbraw/zinc/03/20/26/673032026.db2.gz WKISUKNNHDUIDY-RWMBFGLXSA-N 1 0 338.408 -1.297 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@H]2OCCN(C(=O)C(N)=O)[C@@H]2C1)C1CCC1 ZINC001019893084 668859578 /nfs/dbraw/zinc/85/95/78/668859578.db2.gz CTLIPOOKEUUPCB-CHWSQXEVSA-N 1 0 338.408 -1.216 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@@H]2OCCN(C(=O)C(N)=O)[C@@H]2C1)C1CCC1 ZINC001019893085 668859592 /nfs/dbraw/zinc/85/95/92/668859592.db2.gz CTLIPOOKEUUPCB-OLZOCXBDSA-N 1 0 338.408 -1.216 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1)C1CCC1 ZINC001019893086 668859556 /nfs/dbraw/zinc/85/95/56/668859556.db2.gz CTLIPOOKEUUPCB-QWHCGFSZSA-N 1 0 338.408 -1.216 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@@H]2OCCN(C(=O)C(N)=O)[C@H]2C1)C1CCC1 ZINC001019893087 668859616 /nfs/dbraw/zinc/85/96/16/668859616.db2.gz CTLIPOOKEUUPCB-STQMWFEESA-N 1 0 338.408 -1.216 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@H]3OCCN(C(=O)C(N)=O)[C@@H]3C2)CC1 ZINC001019893628 673032606 /nfs/dbraw/zinc/03/26/06/673032606.db2.gz LQVBIBQHFCWHEJ-CHWSQXEVSA-N 1 0 338.408 -1.358 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@@H]3OCCN(C(=O)C(N)=O)[C@@H]3C2)CC1 ZINC001019893629 673032533 /nfs/dbraw/zinc/03/25/33/673032533.db2.gz LQVBIBQHFCWHEJ-OLZOCXBDSA-N 1 0 338.408 -1.358 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)CC1 ZINC001019893630 673032510 /nfs/dbraw/zinc/03/25/10/673032510.db2.gz LQVBIBQHFCWHEJ-QWHCGFSZSA-N 1 0 338.408 -1.358 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)CC1 ZINC001019893631 673032528 /nfs/dbraw/zinc/03/25/28/673032528.db2.gz LQVBIBQHFCWHEJ-STQMWFEESA-N 1 0 338.408 -1.358 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019894708 673032349 /nfs/dbraw/zinc/03/23/49/673032349.db2.gz MIKHAXHXSSRIDY-MNOVXSKESA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019894709 673032463 /nfs/dbraw/zinc/03/24/63/673032463.db2.gz MIKHAXHXSSRIDY-QWRGUYRKSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001019895251 673032614 /nfs/dbraw/zinc/03/26/14/673032614.db2.gz WZAVDJNNULVZSP-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001019895252 673032445 /nfs/dbraw/zinc/03/24/45/673032445.db2.gz WZAVDJNNULVZSP-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001019899151 673033267 /nfs/dbraw/zinc/03/32/67/673033267.db2.gz BBMZKOWGJYJJEF-HAQNSBGRSA-N 1 0 346.453 -1.263 20 0 EAADRO NC(=O)c1ccnc(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c1 ZINC001019901682 673033637 /nfs/dbraw/zinc/03/36/37/673033637.db2.gz XUTYKEFGKBFVSG-QWRGUYRKSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)c1ccnc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001019901684 673033659 /nfs/dbraw/zinc/03/36/59/673033659.db2.gz XUTYKEFGKBFVSG-WDEREUQCSA-N 1 0 345.359 -1.210 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001019902670 673034353 /nfs/dbraw/zinc/03/43/53/673034353.db2.gz PSGZOQDCNDWMDC-NEPJUHHUSA-N 1 0 336.392 -1.604 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001019902671 673034067 /nfs/dbraw/zinc/03/40/67/673034067.db2.gz PSGZOQDCNDWMDC-NWDGAFQWSA-N 1 0 336.392 -1.604 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001019902672 673034349 /nfs/dbraw/zinc/03/43/49/673034349.db2.gz PSGZOQDCNDWMDC-RYUDHWBXSA-N 1 0 336.392 -1.604 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001019902673 673034248 /nfs/dbraw/zinc/03/42/48/673034248.db2.gz PSGZOQDCNDWMDC-VXGBXAGGSA-N 1 0 336.392 -1.604 20 0 EAADRO CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001019906812 673034626 /nfs/dbraw/zinc/03/46/26/673034626.db2.gz IGSNKFUBYLJXQO-HAQNSBGRSA-N 1 0 332.426 -1.653 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001019915971 673035606 /nfs/dbraw/zinc/03/56/06/673035606.db2.gz HGWLFAWISGVWHG-NEPJUHHUSA-N 1 0 336.392 -1.604 20 0 EAADRO NC(=O)C(=O)N1CC[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001019915972 673035644 /nfs/dbraw/zinc/03/56/44/673035644.db2.gz HGWLFAWISGVWHG-NWDGAFQWSA-N 1 0 336.392 -1.604 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001019915973 673036052 /nfs/dbraw/zinc/03/60/52/673036052.db2.gz HGWLFAWISGVWHG-RYUDHWBXSA-N 1 0 336.392 -1.604 20 0 EAADRO NC(=O)C(=O)N1CC[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001019915974 673035865 /nfs/dbraw/zinc/03/58/65/673035865.db2.gz HGWLFAWISGVWHG-VXGBXAGGSA-N 1 0 336.392 -1.604 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)CC1 ZINC001019918884 673037945 /nfs/dbraw/zinc/03/79/45/673037945.db2.gz FEFFBKCYHQXXAN-CHWSQXEVSA-N 1 0 338.408 -1.358 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)CC1 ZINC001019918885 673037957 /nfs/dbraw/zinc/03/79/57/673037957.db2.gz FEFFBKCYHQXXAN-OLZOCXBDSA-N 1 0 338.408 -1.358 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)CC1 ZINC001019918886 673037908 /nfs/dbraw/zinc/03/79/08/673037908.db2.gz FEFFBKCYHQXXAN-QWHCGFSZSA-N 1 0 338.408 -1.358 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)CC1 ZINC001019918887 673038027 /nfs/dbraw/zinc/03/80/27/673038027.db2.gz FEFFBKCYHQXXAN-STQMWFEESA-N 1 0 338.408 -1.358 20 0 EAADRO C[N@H+](CC(=O)N1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21)C1CCC1 ZINC001019919268 673038441 /nfs/dbraw/zinc/03/84/41/673038441.db2.gz KBFQBLKRWFYMKR-CHWSQXEVSA-N 1 0 338.408 -1.216 20 0 EAADRO C[N@H+](CC(=O)N1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@H]21)C1CCC1 ZINC001019919269 673038211 /nfs/dbraw/zinc/03/82/11/673038211.db2.gz KBFQBLKRWFYMKR-OLZOCXBDSA-N 1 0 338.408 -1.216 20 0 EAADRO C[N@H+](CC(=O)N1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21)C1CCC1 ZINC001019919270 673038250 /nfs/dbraw/zinc/03/82/50/673038250.db2.gz KBFQBLKRWFYMKR-QWHCGFSZSA-N 1 0 338.408 -1.216 20 0 EAADRO C[N@H+](CC(=O)N1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21)C1CCC1 ZINC001019919271 673038455 /nfs/dbraw/zinc/03/84/55/673038455.db2.gz KBFQBLKRWFYMKR-STQMWFEESA-N 1 0 338.408 -1.216 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)C2CCOCC2)C1)N1CCNC(=O)C1 ZINC001019923321 668860724 /nfs/dbraw/zinc/86/07/24/668860724.db2.gz PPDSSDYAACPTAL-JOCQHMNTSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2ccccn2)C1)N1CCNC(=O)C1 ZINC001019932813 668860669 /nfs/dbraw/zinc/86/06/69/668860669.db2.gz LAIGOXYYEWFLDC-HAQNSBGRSA-N 1 0 331.376 -1.110 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cccnc2)C1)N1CCNC(=O)C1 ZINC001019932904 668860665 /nfs/dbraw/zinc/86/06/65/668860665.db2.gz PNGJFFMYLRICDI-JOCQHMNTSA-N 1 0 331.376 -1.110 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2ccncc2)C1)N1CCNC(=O)C1 ZINC001019937369 673040103 /nfs/dbraw/zinc/04/01/03/673040103.db2.gz GBASCRYZJWZBII-JOCQHMNTSA-N 1 0 331.376 -1.110 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cnccn2)C1)N1CCNC(=O)C1 ZINC001019949041 673040056 /nfs/dbraw/zinc/04/00/56/673040056.db2.gz DCMZEIPZZVEASD-XYPYZODXSA-N 1 0 332.364 -1.715 20 0 EAADRO Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)c3cnccn3)C2)cc(=O)n(C)c1=O ZINC001019949109 673039977 /nfs/dbraw/zinc/03/99/77/673039977.db2.gz HYKXIMZYVBNWHQ-XYPYZODXSA-N 1 0 344.375 -1.075 20 0 EAADRO Cc1cnc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)cn1 ZINC001019956142 673039916 /nfs/dbraw/zinc/03/99/16/673039916.db2.gz VFOLOOZQEGKYPB-HAQNSBGRSA-N 1 0 346.391 -1.406 20 0 EAADRO Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCO3)C2)cc(=O)n(C)c1=O ZINC001019963952 668860963 /nfs/dbraw/zinc/86/09/63/668860963.db2.gz SSAVRAURENWXOD-GVXVVHGQSA-N 1 0 336.392 -1.000 20 0 EAADRO Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCO3)C2)cc(=O)n(C)c1=O ZINC001019963953 668860951 /nfs/dbraw/zinc/86/09/51/668860951.db2.gz SSAVRAURENWXOD-NQBHXWOUSA-N 1 0 336.392 -1.000 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)C2=COCCO2)C1)N1CCNC(=O)C1 ZINC001019965003 673040074 /nfs/dbraw/zinc/04/00/74/673040074.db2.gz RHYHFHULKATTAE-XYPYZODXSA-N 1 0 338.364 -1.930 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)C2=COCCO2)C1)N1CCOCC1 ZINC001019965227 673039985 /nfs/dbraw/zinc/03/99/85/673039985.db2.gz VKBZHXVSXYPHKC-HAQNSBGRSA-N 1 0 325.365 -1.030 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cc[n+]([O-])cc2)C1)N1CCNC(=O)C1 ZINC001019965717 673040066 /nfs/dbraw/zinc/04/00/66/673040066.db2.gz AYVGOOILKVEVRW-JOCQHMNTSA-N 1 0 347.375 -1.871 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cc[n+]([O-])cc1 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CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001020328345 673054253 /nfs/dbraw/zinc/05/42/53/673054253.db2.gz YOSXNOJVRWLMBJ-XYPYZODXSA-N 1 0 334.384 -1.370 20 0 EAADRO CCc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C2)n1C ZINC001020328382 673054231 /nfs/dbraw/zinc/05/42/31/673054231.db2.gz ZTKYUVZBTRSTOU-XYPYZODXSA-N 1 0 348.411 -1.290 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020330027 668862305 /nfs/dbraw/zinc/86/23/05/668862305.db2.gz GKKGOKVQQJFKCG-IJLUTSLNSA-N 1 0 338.412 -1.434 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020330028 668862367 /nfs/dbraw/zinc/86/23/67/668862367.db2.gz GKKGOKVQQJFKCG-SRVKXCTJSA-N 1 0 338.412 -1.434 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020330334 668862247 /nfs/dbraw/zinc/86/22/47/668862247.db2.gz RXQFPYRJXHKVGA-CYDGBPFRSA-N 1 0 338.408 -1.251 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 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CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC001020343533 673054830 /nfs/dbraw/zinc/05/48/30/673054830.db2.gz UNTILWRDBLUGJA-GMTAPVOTSA-N 1 0 342.425 -1.063 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)nc1=O ZINC001020344123 673054868 /nfs/dbraw/zinc/05/48/68/673054868.db2.gz BUPMBINQSGPWGR-XYPYZODXSA-N 1 0 332.364 -1.142 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC001020344180 673054879 /nfs/dbraw/zinc/05/48/79/673054879.db2.gz DWPGFDGXZWIOET-HAQNSBGRSA-N 1 0 349.395 -1.654 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCCCC3=O)C2)nc1=O ZINC001020345745 673054765 /nfs/dbraw/zinc/05/47/65/673054765.db2.gz JFJZQQPOJAETMD-XYPYZODXSA-N 1 0 336.396 -1.142 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)ccc1=O ZINC001020345901 673054624 /nfs/dbraw/zinc/05/46/24/673054624.db2.gz QFJDMHTVZLPNCK-HAQNSBGRSA-N 1 0 347.375 -1.213 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCCNC3=O)C2)nc1=O 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Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)c1=O ZINC001020460952 668093305 /nfs/dbraw/zinc/09/33/05/668093305.db2.gz XPUGCILXGLJDNA-MGCOHNPYSA-N 1 0 333.352 -1.372 20 0 EAADRO O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccn2nnnc2c1 ZINC001020461276 668093443 /nfs/dbraw/zinc/09/34/43/668093443.db2.gz FLCPWSVSENGAHC-DCAQKATOSA-N 1 0 343.347 -1.220 20 0 EAADRO O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccn2nnnc2c1 ZINC001020461277 668093602 /nfs/dbraw/zinc/09/36/02/668093602.db2.gz FLCPWSVSENGAHC-GMTAPVOTSA-N 1 0 343.347 -1.220 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)c1ccn2nnnc2c1 ZINC001020461471 668093322 /nfs/dbraw/zinc/09/33/22/668093322.db2.gz IVDNQDJAQLMALH-HAQNSBGRSA-N 1 0 344.379 -1.000 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020463037 668093475 /nfs/dbraw/zinc/09/34/75/668093475.db2.gz RUIONTCVQIMEQD-KYZUINATSA-N 1 0 335.368 -1.099 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463401 668093933 /nfs/dbraw/zinc/09/39/33/668093933.db2.gz AUEZXQHGGTUQNS-HAQNSBGRSA-N 1 0 335.412 -1.533 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463753 668093905 /nfs/dbraw/zinc/09/39/05/668093905.db2.gz IXPKFNSKEONSRN-HDJSIYSDSA-N 1 0 334.424 -1.103 20 0 EAADRO COc1nccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001020463758 668094363 /nfs/dbraw/zinc/09/43/63/668094363.db2.gz JIAGYTYGPPRWTI-JOCQHMNTSA-N 1 0 348.407 -1.346 20 0 EAADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001020463871 668094980 /nfs/dbraw/zinc/09/49/80/668094980.db2.gz LRXIEXXNIJOWMY-JOCQHMNTSA-N 1 0 348.407 -1.346 20 0 EAADRO CCn1c(C)nnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463947 668094945 /nfs/dbraw/zinc/09/49/45/668094945.db2.gz PIKXZKRMDNTVOO-JOCQHMNTSA-N 1 0 349.439 -1.225 20 0 EAADRO CCCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463972 668095277 /nfs/dbraw/zinc/09/52/77/668095277.db2.gz QXJJQTGXLXWOJD-JOCQHMNTSA-N 1 0 349.439 -1.143 20 0 EAADRO CCc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1C ZINC001020463976 668095066 /nfs/dbraw/zinc/09/50/66/668095066.db2.gz RDRLTWYZEDGAHJ-HAQNSBGRSA-N 1 0 349.439 -1.454 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001020464007 668094963 /nfs/dbraw/zinc/09/49/63/668094963.db2.gz TWXNOLBDLMETOQ-JOCQHMNTSA-N 1 0 337.424 -1.723 20 0 EAADRO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020464018 668094965 /nfs/dbraw/zinc/09/49/65/668094965.db2.gz ULHRRQSHEGMXHU-JOCQHMNTSA-N 1 0 349.439 -1.225 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)cc1=O ZINC001020464093 668094951 /nfs/dbraw/zinc/09/49/51/668094951.db2.gz XXIGIHPTUYMJLC-HDJSIYSDSA-N 1 0 347.419 -1.446 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020464132 668094985 /nfs/dbraw/zinc/09/49/85/668094985.db2.gz ZYAZTRGRXJYQDW-HAQNSBGRSA-N 1 0 335.412 -1.533 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@H]1CCNC1=O ZINC001020464595 668095149 /nfs/dbraw/zinc/09/51/49/668095149.db2.gz AJCVKFIPWMMLJK-DCAQKATOSA-N 1 0 334.380 -1.319 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1CCNC1=O ZINC001020464596 668094998 /nfs/dbraw/zinc/09/49/98/668094998.db2.gz AJCVKFIPWMMLJK-GMTAPVOTSA-N 1 0 334.380 -1.319 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020464679 668094989 /nfs/dbraw/zinc/09/49/89/668094989.db2.gz DGOQKOGIMXCAME-HAQNSBGRSA-N 1 0 338.412 -2.320 20 0 EAADRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)ncn1 ZINC001020464700 668095040 /nfs/dbraw/zinc/09/50/40/668095040.db2.gz DRMYBHNOVVQRAN-JOCQHMNTSA-N 1 0 332.408 -1.046 20 0 EAADRO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)on1 ZINC001020464706 668095243 /nfs/dbraw/zinc/09/52/43/668095243.db2.gz DUQMMOUJIHPMKK-XYPYZODXSA-N 1 0 337.380 -1.148 20 0 EAADRO Cc1nccnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020464721 668095202 /nfs/dbraw/zinc/09/52/02/668095202.db2.gz FCPKQQDYXHEWRX-JOCQHMNTSA-N 1 0 332.408 -1.046 20 0 EAADRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)nn1C ZINC001020464846 668094909 /nfs/dbraw/zinc/09/49/09/668094909.db2.gz IVKGMTDBHHHKCN-JOCQHMNTSA-N 1 0 334.424 -1.103 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001020464866 668095015 /nfs/dbraw/zinc/09/50/15/668095015.db2.gz JJOIJSHXRMARPX-AVGNSLFASA-N 1 0 337.424 -1.724 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001020464867 668095021 /nfs/dbraw/zinc/09/50/21/668095021.db2.gz JJOIJSHXRMARPX-JHJVBQTASA-N 1 0 337.424 -1.724 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001020464986 668095127 /nfs/dbraw/zinc/09/51/27/668095127.db2.gz MTOYWIINKOMXQU-JOCQHMNTSA-N 1 0 337.424 -1.723 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001020464998 668094941 /nfs/dbraw/zinc/09/49/41/668094941.db2.gz MZTVLVOYEFLDCW-HDJSIYSDSA-N 1 0 334.424 -1.369 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020464999 668094959 /nfs/dbraw/zinc/09/49/59/668094959.db2.gz NCEISVQSLNSMGO-JOCQHMNTSA-N 1 0 334.424 -1.369 20 0 EAADRO Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001020465002 668095258 /nfs/dbraw/zinc/09/52/58/668095258.db2.gz NIBQHFHYBMFFAN-JOCQHMNTSA-N 1 0 332.408 -1.046 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCNC(=O)C1 ZINC001020465016 668094579 /nfs/dbraw/zinc/09/45/79/668094579.db2.gz NRECSLPWXXVXIM-DCAQKATOSA-N 1 0 337.380 -2.682 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCNC(=O)C1 ZINC001020465017 668094547 /nfs/dbraw/zinc/09/45/47/668094547.db2.gz NRECSLPWXXVXIM-GMTAPVOTSA-N 1 0 337.380 -2.682 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)NC1=O ZINC001020465052 668094726 /nfs/dbraw/zinc/09/47/26/668094726.db2.gz OYAQZQBSCZLJIR-DCAQKATOSA-N 1 0 337.380 -1.604 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)NC1=O ZINC001020465053 668094560 /nfs/dbraw/zinc/09/45/60/668094560.db2.gz OYAQZQBSCZLJIR-GMTAPVOTSA-N 1 0 337.380 -1.604 20 0 EAADRO COc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001020465079 668094700 /nfs/dbraw/zinc/09/47/00/668094700.db2.gz PTUYZGXOIBSMOP-HAQNSBGRSA-N 1 0 348.407 -1.346 20 0 EAADRO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001020465199 668094530 /nfs/dbraw/zinc/09/45/30/668094530.db2.gz UOYISHQEABCWRS-HDJSIYSDSA-N 1 0 332.408 -1.046 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1)c1nncn1C ZINC001020465218 668094511 /nfs/dbraw/zinc/09/45/11/668094511.db2.gz UXHZVUTZYTYDQL-IJLUTSLNSA-N 1 0 335.412 -1.455 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1)c1nncn1C ZINC001020465219 668094620 /nfs/dbraw/zinc/09/46/20/668094620.db2.gz UXHZVUTZYTYDQL-SRVKXCTJSA-N 1 0 335.412 -1.455 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001020465244 668094308 /nfs/dbraw/zinc/09/43/08/668094308.db2.gz WFHIQKNSWPIBJT-HDJSIYSDSA-N 1 0 349.439 -1.436 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020465249 668094537 /nfs/dbraw/zinc/09/45/37/668094537.db2.gz WHARXRFVDZHVMC-DCAQKATOSA-N 1 0 337.380 -2.540 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020465250 668094425 /nfs/dbraw/zinc/09/44/25/668094425.db2.gz WHARXRFVDZHVMC-GMTAPVOTSA-N 1 0 337.380 -2.540 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001020465271 668094666 /nfs/dbraw/zinc/09/46/66/668094666.db2.gz WQNOZFMPZUCRLQ-JOCQHMNTSA-N 1 0 346.435 -1.002 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020465311 668094492 /nfs/dbraw/zinc/09/44/92/668094492.db2.gz YAIVECLOABLJDL-AVGNSLFASA-N 1 0 347.423 -1.566 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020465312 668094344 /nfs/dbraw/zinc/09/43/44/668094344.db2.gz YAIVECLOABLJDL-JHJVBQTASA-N 1 0 347.423 -1.566 20 0 EAADRO CCn1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001020465316 668094440 /nfs/dbraw/zinc/09/44/40/668094440.db2.gz YCLTWSXZOIZROE-JOCQHMNTSA-N 1 0 349.439 -1.225 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001020465317 668094682 /nfs/dbraw/zinc/09/46/82/668094682.db2.gz YEJTVVYRCNGWAD-HAQNSBGRSA-N 1 0 335.412 -1.533 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001020465345 668094575 /nfs/dbraw/zinc/09/45/75/668094575.db2.gz YUEVBOYIVWULPL-AVGNSLFASA-N 1 0 337.424 -1.724 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001020465346 668094523 /nfs/dbraw/zinc/09/45/23/668094523.db2.gz YUEVBOYIVWULPL-JHJVBQTASA-N 1 0 337.424 -1.724 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020465835 668095652 /nfs/dbraw/zinc/09/56/52/668095652.db2.gz AJNJSGRWDBWLGK-CYDGBPFRSA-N 1 0 338.408 -1.407 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020465836 668095532 /nfs/dbraw/zinc/09/55/32/668095532.db2.gz AJNJSGRWDBWLGK-FDYHWXHSSA-N 1 0 338.408 -1.407 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020465837 668095689 /nfs/dbraw/zinc/09/56/89/668095689.db2.gz AJNJSGRWDBWLGK-LPWJVIDDSA-N 1 0 338.408 -1.407 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020465838 668095694 /nfs/dbraw/zinc/09/56/94/668095694.db2.gz AJNJSGRWDBWLGK-ZDEQEGDKSA-N 1 0 338.408 -1.407 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CCNC1=O ZINC001020467572 668096199 /nfs/dbraw/zinc/09/61/99/668096199.db2.gz CSRIDECAYPQJTB-BJDJZHNGSA-N 1 0 329.422 -1.206 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCNC1=O ZINC001020467573 668096065 /nfs/dbraw/zinc/09/60/65/668096065.db2.gz CSRIDECAYPQJTB-DDHJBXDOSA-N 1 0 329.422 -1.206 20 0 EAADRO 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CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1)C(N)=O ZINC001020669466 668178076 /nfs/dbraw/zinc/17/80/76/668178076.db2.gz RMDCBXIVHWWUAA-IWSPIJDZSA-N 1 0 339.352 -2.092 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C2)nn1 ZINC001020669626 668178020 /nfs/dbraw/zinc/17/80/20/668178020.db2.gz SVIAVDFTBJRTMQ-MGCOHNPYSA-N 1 0 347.379 -1.737 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001020669634 668178208 /nfs/dbraw/zinc/17/82/08/668178208.db2.gz TVWNJPVLSCGDJQ-KYZUINATSA-N 1 0 349.351 -2.028 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1)C(N)=O ZINC001020669655 668178663 /nfs/dbraw/zinc/17/86/63/668178663.db2.gz UOHMAQIIFDSJMZ-BWZBUEFSSA-N 1 0 325.325 -2.482 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1)C(N)=O ZINC001020669656 668178833 /nfs/dbraw/zinc/17/88/33/668178833.db2.gz UOHMAQIIFDSJMZ-FXQIFTODSA-N 1 0 325.325 -2.482 20 0 EAADRO 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332.368 -1.453 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)nn1 ZINC001021090488 668227763 /nfs/dbraw/zinc/22/77/63/668227763.db2.gz WZYCYQWLTWIXHX-XYPYZODXSA-N 1 0 349.395 -1.764 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCc4nncn4C3)C2)nc1=O ZINC001021090704 668227670 /nfs/dbraw/zinc/22/76/70/668227670.db2.gz IWECOIFUUOOHFN-DCAQKATOSA-N 1 0 346.395 -1.301 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCc4nncn4C3)C2)nc1=O ZINC001021090705 668227577 /nfs/dbraw/zinc/22/75/77/668227577.db2.gz IWECOIFUUOOHFN-GMTAPVOTSA-N 1 0 346.395 -1.301 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021093338 668227778 /nfs/dbraw/zinc/22/77/78/668227778.db2.gz AMJUTZCZCLFDSM-MGCOHNPYSA-N 1 0 347.383 -1.575 20 0 EAADRO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)on1 ZINC001021093377 668227568 /nfs/dbraw/zinc/22/75/68/668227568.db2.gz BBZRLEWXSDAERS-KYZUINATSA-N 1 0 349.351 -1.189 20 0 EAADRO 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NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001021093460 668227643 /nfs/dbraw/zinc/22/76/43/668227643.db2.gz CLPPHHWCWPZICG-IWSPIJDZSA-N 1 0 349.351 -2.581 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021093462 668227666 /nfs/dbraw/zinc/22/76/66/668227666.db2.gz CMKZSBIIXSVKAZ-KYZUINATSA-N 1 0 333.356 -2.058 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001021093727 668227482 /nfs/dbraw/zinc/22/74/82/668227482.db2.gz HFDRTVZOFVPZLX-KYZUINATSA-N 1 0 333.356 -1.759 20 0 EAADRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)ncn1 ZINC001021093804 668227697 /nfs/dbraw/zinc/22/76/97/668227697.db2.gz IRJHFMCEKVYWJT-XYPYZODXSA-N 1 0 344.379 -1.088 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnns3)C2)nn1 ZINC001021093989 668228483 /nfs/dbraw/zinc/22/84/83/668228483.db2.gz JJXZGPQLPHEIDP-ZKCHVHJHSA-N 1 0 336.381 -1.335 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001021094012 668228259 /nfs/dbraw/zinc/22/82/59/668228259.db2.gz JRMHMVYXFBDZIY-DCAQKATOSA-N 1 0 349.395 -1.765 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001021094014 668228291 /nfs/dbraw/zinc/22/82/91/668228291.db2.gz JRMHMVYXFBDZIY-GMTAPVOTSA-N 1 0 349.395 -1.765 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021094050 668228323 /nfs/dbraw/zinc/22/83/23/668228323.db2.gz KOLYNEURQPPAGI-KYZUINATSA-N 1 0 333.356 -2.058 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)nn1 ZINC001021094062 668228389 /nfs/dbraw/zinc/22/83/89/668228389.db2.gz KRVFIUHCMHQGGH-XYPYZODXSA-N 1 0 332.368 -1.490 20 0 EAADRO Cc1nccnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021094115 668228293 /nfs/dbraw/zinc/22/82/93/668228293.db2.gz LPIAAYBSLXSIIW-XYPYZODXSA-N 1 0 344.379 -1.088 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021094334 668228244 /nfs/dbraw/zinc/22/82/44/668228244.db2.gz NWTGWSPGPBDGBA-XYPYZODXSA-N 1 0 346.395 -1.410 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1)c1nncn1C ZINC001021094383 668228170 /nfs/dbraw/zinc/22/81/70/668228170.db2.gz PRNQDWMYVDUJNP-GUBZILKMSA-N 1 0 347.383 -1.497 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1)c1nncn1C ZINC001021094384 668228416 /nfs/dbraw/zinc/22/84/16/668228416.db2.gz PRNQDWMYVDUJNP-OPRDCNLKSA-N 1 0 347.383 -1.497 20 0 EAADRO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001021094540 668228487 /nfs/dbraw/zinc/22/84/87/668228487.db2.gz RTMKKKJEWCHBAI-HAQNSBGRSA-N 1 0 344.379 -1.088 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021094550 668228353 /nfs/dbraw/zinc/22/83/53/668228353.db2.gz SCOWDLUZJNCMTJ-MGCOHNPYSA-N 1 0 347.383 -1.575 20 0 EAADRO Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001021094553 668228105 /nfs/dbraw/zinc/22/81/05/668228105.db2.gz SKMTVEZXWNGXAH-XYPYZODXSA-N 1 0 344.379 -1.088 20 0 EAADRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nn1C ZINC001021094567 668228305 /nfs/dbraw/zinc/22/83/05/668228305.db2.gz UCCTXYRMBGNRKY-XYPYZODXSA-N 1 0 346.395 -1.144 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)nn1 ZINC001021094570 668228177 /nfs/dbraw/zinc/22/81/77/668228177.db2.gz UCZHELBZDGQPIZ-XYPYZODXSA-N 1 0 349.395 -1.764 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001021094615 668228272 /nfs/dbraw/zinc/22/82/72/668228272.db2.gz VEOINMGYAYRYPM-HAQNSBGRSA-N 1 0 346.395 -1.410 20 0 EAADRO Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001021094616 668228408 /nfs/dbraw/zinc/22/84/08/668228408.db2.gz VEPCQLDDMCYPOI-HGNGGELXSA-N 1 0 347.383 -1.198 20 0 EAADRO Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001021094617 668228117 /nfs/dbraw/zinc/22/81/17/668228117.db2.gz VEPCQLDDMCYPOI-SZEHBUNVSA-N 1 0 347.383 -1.198 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001021094630 668228164 /nfs/dbraw/zinc/22/81/64/668228164.db2.gz WEEOHHFBWRWLII-MGCOHNPYSA-N 1 0 347.383 -1.575 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)nn1 ZINC001021094633 668228143 /nfs/dbraw/zinc/22/81/43/668228143.db2.gz WFRITQBMZDFMAL-MGCOHNPYSA-N 1 0 333.356 -2.095 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001021094639 668228448 /nfs/dbraw/zinc/22/84/48/668228448.db2.gz WLIZKNUSKBELLW-DCAQKATOSA-N 1 0 349.395 -1.765 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001021094640 668228426 /nfs/dbraw/zinc/22/84/26/668228426.db2.gz WLIZKNUSKBELLW-GMTAPVOTSA-N 1 0 349.395 -1.765 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001021094675 668228360 /nfs/dbraw/zinc/22/83/60/668228360.db2.gz XRTNQRYQFSLJKK-KYZUINATSA-N 1 0 333.356 -2.058 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001021094704 668228248 /nfs/dbraw/zinc/22/82/48/668228248.db2.gz 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EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001021098194 668228984 /nfs/dbraw/zinc/22/89/84/668228984.db2.gz YAMKZBNVPYZARK-BJDJZHNGSA-N 1 0 336.392 -1.103 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001021098195 668228769 /nfs/dbraw/zinc/22/87/69/668228769.db2.gz YAMKZBNVPYZARK-DDHJBXDOSA-N 1 0 336.392 -1.103 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001021098197 668229072 /nfs/dbraw/zinc/22/90/72/668229072.db2.gz YAMKZBNVPYZARK-FIQHERPVSA-N 1 0 336.392 -1.103 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001021098198 668228914 /nfs/dbraw/zinc/22/89/14/668228914.db2.gz YAMKZBNVPYZARK-KKOKHZNYSA-N 1 0 336.392 -1.103 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N(C)C3)C2)nc1=O ZINC001021098636 668228896 /nfs/dbraw/zinc/22/88/96/668228896.db2.gz GNQNEUMVGMRQLF-DCAQKATOSA-N 1 0 336.396 -1.286 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)C2)nc1=O ZINC001021098683 668228919 /nfs/dbraw/zinc/22/89/19/668228919.db2.gz GNQNEUMVGMRQLF-GMTAPVOTSA-N 1 0 336.396 -1.286 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021102783 668228930 /nfs/dbraw/zinc/22/89/30/668228930.db2.gz NGIARNQWQPDYOA-IJLUTSLNSA-N 1 0 336.396 -1.144 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001021103845 668228974 /nfs/dbraw/zinc/22/89/74/668228974.db2.gz JGDGHFLQRJZLCU-GUBZILKMSA-N 1 0 335.364 -1.621 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001021103846 668228951 /nfs/dbraw/zinc/22/89/51/668228951.db2.gz JGDGHFLQRJZLCU-OPRDCNLKSA-N 1 0 335.364 -1.621 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)n(C)c1=O ZINC001021104001 668228994 /nfs/dbraw/zinc/22/89/94/668228994.db2.gz QQVPAXLFKCJGTE-XYPYZODXSA-N 1 0 336.396 -1.401 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)n(C)c1=O ZINC001021104019 668228739 /nfs/dbraw/zinc/22/87/39/668228739.db2.gz RJMQZYPSPOSNJF-XYPYZODXSA-N 1 0 349.391 -1.277 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC001021104156 668229036 /nfs/dbraw/zinc/22/90/36/668229036.db2.gz XIOWJWMRBUJASE-KYZUINATSA-N 1 0 335.368 -1.804 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc(C(N)=O)n3)C2)nc1=O ZINC001021108495 668230513 /nfs/dbraw/zinc/23/05/13/668230513.db2.gz IUFUSFTYXCUSTI-KYZUINATSA-N 1 0 345.363 -1.347 20 0 EAADRO NC(=O)c1cccc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001021109180 668231138 /nfs/dbraw/zinc/23/11/38/668231138.db2.gz WQTHSFGBBCJHTJ-AUTRQRHGSA-N 1 0 345.359 -1.164 20 0 EAADRO NC(=O)c1cccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001021109181 668230915 /nfs/dbraw/zinc/23/09/15/668230915.db2.gz WQTHSFGBBCJHTJ-KBVBSXBZSA-N 1 0 345.359 -1.164 20 0 EAADRO 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COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C2)on1 ZINC001022106421 668345740 /nfs/dbraw/zinc/34/57/40/668345740.db2.gz HBGWHZCDGPSELZ-DTORHVGOSA-N 1 0 349.351 -1.189 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1)c1nncn1C ZINC001022106436 668345638 /nfs/dbraw/zinc/34/56/38/668345638.db2.gz HSTJYZPNDRQSQS-BBBLOLIVSA-N 1 0 347.383 -1.497 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1)c1nncn1C ZINC001022106437 668345633 /nfs/dbraw/zinc/34/56/33/668345633.db2.gz HSTJYZPNDRQSQS-LPEHRKFASA-N 1 0 347.383 -1.497 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001022106448 668345585 /nfs/dbraw/zinc/34/55/85/668345585.db2.gz IIJAMMFPUHAHNX-AXFHLTTASA-N 1 0 349.395 -1.765 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001022106449 668345778 /nfs/dbraw/zinc/34/57/78/668345778.db2.gz IIJAMMFPUHAHNX-OUAUKWLOSA-N 1 0 349.395 -1.765 20 0 EAADRO 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ZINC001022106689 668345261 /nfs/dbraw/zinc/34/52/61/668345261.db2.gz LLBBWEOGQFGJTK-AOOOYVTPSA-N 1 0 347.383 -1.575 20 0 EAADRO Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC001022106772 668345270 /nfs/dbraw/zinc/34/52/70/668345270.db2.gz NKVYVQMOUUZFOW-PHIMTYICSA-N 1 0 344.379 -1.088 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C2)[nH]1 ZINC001022107040 668345365 /nfs/dbraw/zinc/34/53/65/668345365.db2.gz PIULRMQIRQYALY-DTORHVGOSA-N 1 0 333.356 -1.759 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001022107069 668345184 /nfs/dbraw/zinc/34/51/84/668345184.db2.gz QIZSOYWPZSJAOW-PHIMTYICSA-N 1 0 346.395 -1.410 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)n1 ZINC001022107074 668345307 /nfs/dbraw/zinc/34/53/07/668345307.db2.gz QWHNNMYAJUOHEU-PHIMTYICSA-N 1 0 349.395 -1.764 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001022107090 668345200 /nfs/dbraw/zinc/34/52/00/668345200.db2.gz 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ZINC001022107544 668345769 /nfs/dbraw/zinc/34/57/69/668345769.db2.gz ZGZIDAASRSQKHY-HRDYMLBCSA-N 1 0 349.351 -2.581 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001022107545 668345593 /nfs/dbraw/zinc/34/55/93/668345593.db2.gz ZGZIDAASRSQKHY-YIZRAAEISA-N 1 0 349.351 -2.581 20 0 EAADRO Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001022108524 668346327 /nfs/dbraw/zinc/34/63/27/668346327.db2.gz CNLUDHPDSWZECC-AOOOYVTPSA-N 1 0 332.368 -1.453 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)n1 ZINC001022108566 668346138 /nfs/dbraw/zinc/34/61/38/668346138.db2.gz FIVHSAZYSPVWHI-AOOOYVTPSA-N 1 0 335.368 -2.154 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C2)nc1=O ZINC001022108689 668346029 /nfs/dbraw/zinc/34/60/29/668346029.db2.gz KIICNLPNEBICIT-OCAPTIKFSA-N 1 0 349.355 -2.764 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001022108711 668346264 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KXWHURWWBGMTOY-OVZMXSCWSA-N 1 0 336.392 -1.782 20 0 EAADRO Cn1nnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001022120873 668346179 /nfs/dbraw/zinc/34/61/79/668346179.db2.gz SMXYZJNMOLJVCR-QNWHQSFQSA-N 1 0 335.412 -1.190 20 0 EAADRO Cn1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001022120875 668346427 /nfs/dbraw/zinc/34/64/27/668346427.db2.gz SMXYZJNMOLJVCR-RNJOBUHISA-N 1 0 335.412 -1.190 20 0 EAADRO Cn1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001022120876 668346269 /nfs/dbraw/zinc/34/62/69/668346269.db2.gz SMXYZJNMOLJVCR-XQHKEYJVSA-N 1 0 335.412 -1.190 20 0 EAADRO Cn1nnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001022120877 668346204 /nfs/dbraw/zinc/34/62/04/668346204.db2.gz SMXYZJNMOLJVCR-YVECIDJPSA-N 1 0 335.412 -1.190 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3nnn(C(C)(C)C)n3)C2)nc1=O ZINC001022120902 668346408 /nfs/dbraw/zinc/34/64/08/668346408.db2.gz TZQCEVVQKHAVSS-DTORHVGOSA-N 1 0 349.399 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CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001022133489 668347886 /nfs/dbraw/zinc/34/78/86/668347886.db2.gz DUQCYZQMMREKNL-TUAOUCFPSA-N 1 0 329.422 -1.111 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1)N1CCOCC1 ZINC001022133689 668347950 /nfs/dbraw/zinc/34/79/50/668347950.db2.gz FZCANSPSDNOXQG-TXEJJXNPSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CS(=O)(=O)C1 ZINC001022133710 668347737 /nfs/dbraw/zinc/34/77/37/668347737.db2.gz GFKSJRCCPAXCNJ-TXEJJXNPSA-N 1 0 329.422 -1.110 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001022133968 668347235 /nfs/dbraw/zinc/34/72/35/668347235.db2.gz MGIQWMKPOBRPCZ-GRYCIOLGSA-N 1 0 329.422 -1.111 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001022133969 668347382 /nfs/dbraw/zinc/34/73/82/668347382.db2.gz MGIQWMKPOBRPCZ-TUAOUCFPSA-N 1 0 329.422 -1.111 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CS(=O)(=O)C1 ZINC001022134169 668347389 /nfs/dbraw/zinc/34/73/89/668347389.db2.gz ORGOXZRFVUUJOV-AOOOYVTPSA-N 1 0 344.393 -2.180 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CS(=O)(=O)C1 ZINC001022134181 668347434 /nfs/dbraw/zinc/34/74/34/668347434.db2.gz PNFZABMBASMCLR-PHIMTYICSA-N 1 0 330.410 -1.707 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)nc1=O ZINC001022134285 668348072 /nfs/dbraw/zinc/34/80/72/668348072.db2.gz SKZFETMSDNNFBI-DTORHVGOSA-N 1 0 329.382 -2.110 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1)N1CCCC1 ZINC001022134319 668347866 /nfs/dbraw/zinc/34/78/66/668347866.db2.gz UVJOSCKXICQBQC-TXEJJXNPSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CS(=O)(=O)C1 ZINC001022134399 668348010 /nfs/dbraw/zinc/34/80/10/668348010.db2.gz YNPUYLMTGTUIIH-AEJSXWLSSA-N 1 0 329.378 -1.927 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CS(=O)(=O)C1 ZINC001022134400 668348100 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VOVNOUGNBGEWJR-WCABBAIRSA-N 1 0 343.347 -1.220 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)n(C)c1=O ZINC001022139416 668348668 /nfs/dbraw/zinc/34/86/68/668348668.db2.gz DFUNYKUKMBZGCD-PHIMTYICSA-N 1 0 347.379 -1.888 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+][C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001022139804 668348507 /nfs/dbraw/zinc/34/85/07/668348507.db2.gz JVWBDASFLRHRHE-PHIMTYICSA-N 1 0 349.395 -1.155 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)CCO1 ZINC001022140736 668348634 /nfs/dbraw/zinc/34/86/34/668348634.db2.gz ZTCFKSQOEBKREF-RWMBFGLXSA-N 1 0 336.396 -1.238 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)CCO1 ZINC001022140737 668348274 /nfs/dbraw/zinc/34/82/74/668348274.db2.gz ZTCFKSQOEBKREF-UPJWGTAASA-N 1 0 336.396 -1.238 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001022141157 668348503 /nfs/dbraw/zinc/34/85/03/668348503.db2.gz GMYUKRDNSAIQCT-SDDRHHMPSA-N 1 0 327.410 -1.050 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001022141158 668348513 /nfs/dbraw/zinc/34/85/13/668348513.db2.gz GMYUKRDNSAIQCT-UTUOFQBUSA-N 1 0 327.410 -1.050 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001022141283 668348241 /nfs/dbraw/zinc/34/82/41/668348241.db2.gz MMNPFKUBIDEYAG-TXEJJXNPSA-N 1 0 342.425 -1.450 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022141347 668348368 /nfs/dbraw/zinc/34/83/68/668348368.db2.gz PREWEXIIWNQSNW-PHIMTYICSA-N 1 0 335.368 -2.527 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001022141454 668348233 /nfs/dbraw/zinc/34/82/33/668348233.db2.gz WMBWARZQEXSAQN-PHIMTYICSA-N 1 0 332.368 -1.163 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2ccns2)C1)N1CCNC(=O)C1 ZINC001022153526 668348885 /nfs/dbraw/zinc/34/88/85/668348885.db2.gz LDLQWRNNMJZXLS-AOOOYVTPSA-N 1 0 337.405 -1.048 20 0 EAADRO CCN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O ZINC001022158042 668348866 /nfs/dbraw/zinc/34/88/66/668348866.db2.gz BWGHHBQCXNWWCT-GARJFASQSA-N 1 0 336.396 -1.286 20 0 EAADRO CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O ZINC001022158043 668349021 /nfs/dbraw/zinc/34/90/21/668349021.db2.gz BWGHHBQCXNWWCT-MXWKQRLJSA-N 1 0 336.396 -1.286 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1=O ZINC001022158378 668348938 /nfs/dbraw/zinc/34/89/38/668348938.db2.gz LBWKGNZDSISXRH-SDDRHHMPSA-N 1 0 336.392 -1.150 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1=O ZINC001022158379 668349036 /nfs/dbraw/zinc/34/90/36/668349036.db2.gz LBWKGNZDSISXRH-UTUOFQBUSA-N 1 0 336.392 -1.150 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1=O ZINC001022158535 668349010 /nfs/dbraw/zinc/34/90/10/668349010.db2.gz OLPWYUVKEVNMSI-GARJFASQSA-N 1 0 337.380 -1.747 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1=O ZINC001022158536 668349069 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PDIQRAFZDJHVFT-UTUOFQBUSA-N 1 0 336.392 -1.007 20 0 EAADRO C[C@H](C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1)N1C(=O)CCC1=O ZINC001022163454 668349608 /nfs/dbraw/zinc/34/96/08/668349608.db2.gz WAUQYXGLKVMYCQ-BBBLOLIVSA-N 1 0 335.368 -1.516 20 0 EAADRO C[C@@H](C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1)N1C(=O)CCC1=O ZINC001022163455 668349540 /nfs/dbraw/zinc/34/95/40/668349540.db2.gz WAUQYXGLKVMYCQ-LPEHRKFASA-N 1 0 335.368 -1.516 20 0 EAADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N1C(=O)CCC1=O ZINC001022163713 668349534 /nfs/dbraw/zinc/34/95/34/668349534.db2.gz YIDZKKAZNHAREL-NNYUYHANSA-N 1 0 336.392 -1.009 20 0 EAADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N1C(=O)CCC1=O ZINC001022163714 668349345 /nfs/dbraw/zinc/34/93/45/668349345.db2.gz YIDZKKAZNHAREL-WISYIIOYSA-N 1 0 336.392 -1.009 20 0 EAADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N1C(=O)CCC1=O ZINC001022163715 668349603 /nfs/dbraw/zinc/34/96/03/668349603.db2.gz YIDZKKAZNHAREL-WYUUTHIRSA-N 1 0 336.392 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Cc1nonc1CN[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001022165743 668349589 /nfs/dbraw/zinc/34/95/89/668349589.db2.gz DRJTYRYQUUELIC-PHIMTYICSA-N 1 0 348.363 -1.325 20 0 EAADRO Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001022165900 668349287 /nfs/dbraw/zinc/34/92/87/668349287.db2.gz GIPCLFXTFYAYPZ-AOOOYVTPSA-N 1 0 348.367 -2.493 20 0 EAADRO Cc1noc(CN[C@H]2C[C@@H](NC(=O)Cn3ccc(=O)n(C)c3=O)C2)n1 ZINC001022166019 668349419 /nfs/dbraw/zinc/34/94/19/668349419.db2.gz JYUWXLOHIFROHN-PHIMTYICSA-N 1 0 348.363 -1.325 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001022166095 668349595 /nfs/dbraw/zinc/34/95/95/668349595.db2.gz KNBNGQUXTXUBRX-AXFHLTTASA-N 1 0 335.364 -2.328 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001022166096 668349654 /nfs/dbraw/zinc/34/96/54/668349654.db2.gz KNBNGQUXTXUBRX-OUAUKWLOSA-N 1 0 335.364 -2.328 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H](NCc3ccon3)C2)c1=O ZINC001022166103 668349571 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Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)c1=O ZINC001022166492 668349375 /nfs/dbraw/zinc/34/93/75/668349375.db2.gz XICXSGZTCNKWGU-RWMBFGLXSA-N 1 0 336.392 -1.180 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)c1=O ZINC001022166494 668349368 /nfs/dbraw/zinc/34/93/68/668349368.db2.gz XICXSGZTCNKWGU-UPJWGTAASA-N 1 0 336.392 -1.180 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ccc(=O)n(C)c3=O)C2)cn1 ZINC001022166500 668349667 /nfs/dbraw/zinc/34/96/67/668349667.db2.gz XLKOQDVEJBWPBM-BETUJISGSA-N 1 0 346.391 -1.283 20 0 EAADRO Cn1ncc(CN[C@H]2C[C@@H](NC(=O)Cn3ccc(=O)n(C)c3=O)C2)n1 ZINC001022166510 668349404 /nfs/dbraw/zinc/34/94/04/668349404.db2.gz XPYWZYMMXVXWBZ-PHIMTYICSA-N 1 0 347.379 -1.888 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCCS3(=O)=O)C2)C1=O ZINC001022166582 668349394 /nfs/dbraw/zinc/34/93/94/668349394.db2.gz AQMZEJVWDBDBRM-GRYCIOLGSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCCS3(=O)=O)C2)C1=O ZINC001022166585 668349512 /nfs/dbraw/zinc/34/95/12/668349512.db2.gz AQMZEJVWDBDBRM-TUAOUCFPSA-N 1 0 344.437 -1.511 20 0 EAADRO Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001022166591 668349612 /nfs/dbraw/zinc/34/96/12/668349612.db2.gz ASWKMNYOUXXMFD-OCAPTIKFSA-N 1 0 328.340 -1.073 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022166602 668350036 /nfs/dbraw/zinc/35/00/36/668350036.db2.gz AUOUIGQUDMJOON-TXEJJXNPSA-N 1 0 342.425 -1.450 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCCS3(=O)=O)C2)nn1 ZINC001022166672 668350297 /nfs/dbraw/zinc/35/02/97/668350297.db2.gz BXUZZQROEIMVME-PHIMTYICSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4n[nH]nc4n3)C2)nc1=O ZINC001022166681 668350205 /nfs/dbraw/zinc/35/02/05/668350205.db2.gz CAPJXPIWVNULSS-OCAPTIKFSA-N 1 0 343.351 -1.175 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001022166995 668349970 /nfs/dbraw/zinc/34/99/70/668349970.db2.gz 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C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1)C(N)=O ZINC001022281432 668354698 /nfs/dbraw/zinc/35/46/98/668354698.db2.gz BVURHVGOAHDEKF-IEBDPFPHSA-N 1 0 329.422 -1.078 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1)C(N)=O ZINC001022281433 668354496 /nfs/dbraw/zinc/35/44/96/668354496.db2.gz BVURHVGOAHDEKF-INTQDDNPSA-N 1 0 329.422 -1.078 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn4c(n3)COCC4)C2)nc1=O ZINC001022284355 668354463 /nfs/dbraw/zinc/35/44/63/668354463.db2.gz IVTMKXBTDZDOGB-AOOOYVTPSA-N 1 0 347.379 -1.114 20 0 EAADRO NC(=O)c1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001022284409 668354822 /nfs/dbraw/zinc/35/48/22/668354822.db2.gz LIPSNNLJCZZQNX-LOWVWBTDSA-N 1 0 331.376 -1.152 20 0 EAADRO NC(=O)c1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001022284412 668354935 /nfs/dbraw/zinc/35/49/35/668354935.db2.gz LIPSNNLJCZZQNX-NTZNESFSSA-N 1 0 331.376 -1.152 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001022286414 668354763 /nfs/dbraw/zinc/35/47/63/668354763.db2.gz WXMGWRAAVJPIGC-DTNUGXKXSA-N 1 0 348.403 -1.606 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001022286420 668354915 /nfs/dbraw/zinc/35/49/15/668354915.db2.gz WXMGWRAAVJPIGC-FKLCRNNISA-N 1 0 348.403 -1.606 20 0 EAADRO Cn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)cc1=O ZINC001022296807 668355596 /nfs/dbraw/zinc/35/55/96/668355596.db2.gz IESGZFJZOBZTIO-TXEJJXNPSA-N 1 0 347.375 -1.213 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)C2)nc1=O ZINC001022298835 668355513 /nfs/dbraw/zinc/35/55/13/668355513.db2.gz QIPJSRWQDRBXKY-GARJFASQSA-N 1 0 336.396 -1.286 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)C2)nc1=O ZINC001022298836 668355531 /nfs/dbraw/zinc/35/55/31/668355531.db2.gz QIPJSRWQDRBXKY-MXWKQRLJSA-N 1 0 336.396 -1.286 20 0 EAADRO 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C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1)C(N)=O ZINC001022302388 668355557 /nfs/dbraw/zinc/35/55/57/668355557.db2.gz HUZBTYAYGMWQCO-CNUIFLNQSA-N 1 0 330.366 -1.349 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1)C(N)=O ZINC001022302389 668355692 /nfs/dbraw/zinc/35/56/92/668355692.db2.gz HUZBTYAYGMWQCO-VDAHYXPESA-N 1 0 330.366 -1.349 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)co1 ZINC001022306074 668355772 /nfs/dbraw/zinc/35/57/72/668355772.db2.gz OSAPIQIAQISAMQ-AEJSXWLSSA-N 1 0 342.377 -1.334 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)co1 ZINC001022306075 668355764 /nfs/dbraw/zinc/35/57/64/668355764.db2.gz OSAPIQIAQISAMQ-KXUCPTDWSA-N 1 0 342.377 -1.334 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001022306889 668356268 /nfs/dbraw/zinc/35/62/68/668356268.db2.gz YZINJXCGCYGWHB-CHWFTXMASA-N 1 0 334.380 -1.329 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001022306892 668356173 /nfs/dbraw/zinc/35/61/73/668356173.db2.gz YZINJXCGCYGWHB-MMWGEVLESA-N 1 0 334.380 -1.329 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001022306893 668356185 /nfs/dbraw/zinc/35/61/85/668356185.db2.gz YZINJXCGCYGWHB-UKKRHICBSA-N 1 0 334.380 -1.329 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001022306895 668356040 /nfs/dbraw/zinc/35/60/40/668356040.db2.gz YZINJXCGCYGWHB-ZNSHCXBVSA-N 1 0 334.380 -1.329 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CO1 ZINC001022318955 668356018 /nfs/dbraw/zinc/35/60/18/668356018.db2.gz QBDDSVIICINEEW-LPWJVIDDSA-N 1 0 338.408 -1.393 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CO1 ZINC001022318957 668356230 /nfs/dbraw/zinc/35/62/30/668356230.db2.gz QBDDSVIICINEEW-QNWHQSFQSA-N 1 0 338.408 -1.393 20 0 EAADRO C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CO1 ZINC001022318958 668356121 /nfs/dbraw/zinc/35/61/21/668356121.db2.gz QBDDSVIICINEEW-XQHKEYJVSA-N 1 0 338.408 -1.393 20 0 EAADRO C[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CO1 ZINC001022318960 668356255 /nfs/dbraw/zinc/35/62/55/668356255.db2.gz QBDDSVIICINEEW-ZDEQEGDKSA-N 1 0 338.408 -1.393 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)nn1 ZINC001022325693 668356298 /nfs/dbraw/zinc/35/62/98/668356298.db2.gz APGNYWJACAEEPL-TXEJJXNPSA-N 1 0 335.412 -1.674 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)cn1 ZINC001022325703 668356291 /nfs/dbraw/zinc/35/62/91/668356291.db2.gz ATEDVQLUEYKRSA-OKILXGFUSA-N 1 0 334.424 -1.069 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1=O ZINC001022325955 668356046 /nfs/dbraw/zinc/35/60/46/668356046.db2.gz CLRPEEWWPFKDOO-FRRDWIJNSA-N 1 0 337.424 -1.724 20 0 EAADRO 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/nfs/dbraw/zinc/35/67/54/668356754.db2.gz LRNNRUPOOJHZOZ-BETUJISGSA-N 1 0 334.424 -1.069 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1=O ZINC001022328071 668356705 /nfs/dbraw/zinc/35/67/05/668356705.db2.gz MBSKZUCODHOMLC-BETUJISGSA-N 1 0 337.424 -1.771 20 0 EAADRO Cn1ccnc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001022328628 668356536 /nfs/dbraw/zinc/35/65/36/668356536.db2.gz SMZAAYGTANSNTL-BETUJISGSA-N 1 0 334.424 -1.069 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001022328667 668356584 /nfs/dbraw/zinc/35/65/84/668356584.db2.gz TXVLJULJAUQWDL-TXEJJXNPSA-N 1 0 335.412 -1.674 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001022328710 668356548 /nfs/dbraw/zinc/35/65/48/668356548.db2.gz VCAKZTNZYCNMKI-BETUJISGSA-N 1 0 334.424 -1.069 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001022328919 668356520 /nfs/dbraw/zinc/35/65/20/668356520.db2.gz YJTMUFQHXHPFMW-TXEJJXNPSA-N 1 0 335.412 -1.674 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001022328924 668356598 /nfs/dbraw/zinc/35/65/98/668356598.db2.gz YMAFQMQYJHLXMR-BETUJISGSA-N 1 0 349.439 -1.191 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2C[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)cn1 ZINC001022329013 668356687 /nfs/dbraw/zinc/35/66/87/668356687.db2.gz ZZFWHYUWFABAEG-GASCZTMLSA-N 1 0 348.451 -1.027 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)CC1=O ZINC001022329017 668356669 /nfs/dbraw/zinc/35/66/69/668356669.db2.gz AGAQVQSFDKYPQM-OKILXGFUSA-N 1 0 334.424 -1.106 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022329084 668356567 /nfs/dbraw/zinc/35/65/67/668356567.db2.gz CACKOJXIEKWCBF-GRYCIOLGSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022329085 668356733 /nfs/dbraw/zinc/35/67/33/668356733.db2.gz CACKOJXIEKWCBF-TUAOUCFPSA-N 1 0 329.422 -1.064 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)CC1=O ZINC001022329159 668356683 /nfs/dbraw/zinc/35/66/83/668356683.db2.gz DEICAOOJWFXKSW-BETUJISGSA-N 1 0 335.412 -1.711 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2C[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)C1=O ZINC001022329346 668356516 /nfs/dbraw/zinc/35/65/16/668356516.db2.gz JUGKASOXGSLVEV-FRRDWIJNSA-N 1 0 337.424 -1.772 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2C[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)C1=O ZINC001022329347 668356672 /nfs/dbraw/zinc/35/66/72/668356672.db2.gz JUGKASOXGSLVEV-XQQFMLRXSA-N 1 0 337.424 -1.772 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C2)[nH]1 ZINC001022329613 668356745 /nfs/dbraw/zinc/35/67/45/668356745.db2.gz RHMVQHMIXZZIIR-TXEJJXNPSA-N 1 0 335.412 -1.376 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001022329697 668356614 /nfs/dbraw/zinc/35/66/14/668356614.db2.gz RTQBVRFFPQMSJW-PHIMTYICSA-N 1 0 327.410 -1.013 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1)C(N)=O ZINC001022329727 668356726 /nfs/dbraw/zinc/35/67/26/668356726.db2.gz SMTSMPZMMZYOQE-GRYCIOLGSA-N 1 0 325.413 -1.739 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1)C(N)=O ZINC001022329728 668356624 /nfs/dbraw/zinc/35/66/24/668356624.db2.gz SMTSMPZMMZYOQE-TUAOUCFPSA-N 1 0 325.413 -1.739 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1)c1nncn1C ZINC001022329748 668356625 /nfs/dbraw/zinc/35/66/25/668356625.db2.gz UBJJJCWXHJRQCV-RWMBFGLXSA-N 1 0 349.439 -1.113 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1)c1nncn1C ZINC001022329749 668356487 /nfs/dbraw/zinc/35/64/87/668356487.db2.gz UBJJJCWXHJRQCV-UPJWGTAASA-N 1 0 349.439 -1.113 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022329830 668356716 /nfs/dbraw/zinc/35/67/16/668356716.db2.gz WUHDUVXCQZQRSX-TXEJJXNPSA-N 1 0 329.422 -1.110 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CC3CS(=O)(=O)C3)C2)nc1=O ZINC001022329882 668356675 /nfs/dbraw/zinc/35/66/75/668356675.db2.gz YTHJCDMWUPQHJM-AOOOYVTPSA-N 1 0 343.409 -1.720 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C2)nn1 ZINC001022329883 668356640 /nfs/dbraw/zinc/35/66/40/668356640.db2.gz YVLMMZGCOAEGDZ-BETUJISGSA-N 1 0 349.439 -1.191 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)c1=O ZINC001022330483 668356527 /nfs/dbraw/zinc/35/65/27/668356527.db2.gz BJTSBMZJNIKLIB-TXEJJXNPSA-N 1 0 336.396 -1.559 20 0 EAADRO COc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001022330486 668356610 /nfs/dbraw/zinc/35/66/10/668356610.db2.gz BLEDXDPPLUSAQS-PHIMTYICSA-N 1 0 347.379 -1.183 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022330571 668357045 /nfs/dbraw/zinc/35/70/45/668357045.db2.gz BXINBUWYPITKDQ-TXEJJXNPSA-N 1 0 344.437 -1.317 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022330888 668357230 /nfs/dbraw/zinc/35/72/30/668357230.db2.gz FBIQLKKHNFTVFT-TXEJJXNPSA-N 1 0 327.410 -1.050 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)c1=O ZINC001022330893 668357064 /nfs/dbraw/zinc/35/70/64/668357064.db2.gz FFIICZGQNHYEGM-GRYCIOLGSA-N 1 0 336.396 -1.561 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)c1=O ZINC001022330898 668357017 /nfs/dbraw/zinc/35/70/17/668357017.db2.gz FFIICZGQNHYEGM-TUAOUCFPSA-N 1 0 336.396 -1.561 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001022330987 668357118 /nfs/dbraw/zinc/35/71/18/668357118.db2.gz GGXQWQAAUVEVKU-BETUJISGSA-N 1 0 333.396 -1.205 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)c1=O ZINC001022331513 668357150 /nfs/dbraw/zinc/35/71/50/668357150.db2.gz LFSUELITBOABHA-TXEJJXNPSA-N 1 0 336.396 -1.559 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CC3CS(=O)(=O)C3)C2)C1=O ZINC001022331569 668357103 /nfs/dbraw/zinc/35/71/03/668357103.db2.gz MWYSPOPSKMSGBN-GRYCIOLGSA-N 1 0 329.422 -1.111 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CC3CS(=O)(=O)C3)C2)C1=O ZINC001022331570 668357221 /nfs/dbraw/zinc/35/72/21/668357221.db2.gz MWYSPOPSKMSGBN-TUAOUCFPSA-N 1 0 329.422 -1.111 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)C1=O ZINC001022331571 668357200 /nfs/dbraw/zinc/35/72/00/668357200.db2.gz MYBZFBWAWQJFRS-GRYCIOLGSA-N 1 0 336.396 -1.561 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)C1=O ZINC001022331572 668357115 /nfs/dbraw/zinc/35/71/15/668357115.db2.gz MYBZFBWAWQJFRS-TUAOUCFPSA-N 1 0 336.396 -1.561 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c1=O ZINC001022331649 668356931 /nfs/dbraw/zinc/35/69/31/668356931.db2.gz NHDBFUHGNCMCHO-AEJSXWLSSA-N 1 0 336.352 -2.376 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c1=O ZINC001022331672 668356944 /nfs/dbraw/zinc/35/69/44/668356944.db2.gz NHDBFUHGNCMCHO-KXUCPTDWSA-N 1 0 336.352 -2.376 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001022331760 668357244 /nfs/dbraw/zinc/35/72/44/668357244.db2.gz OKDQDMALNXTMEB-PHIMTYICSA-N 1 0 334.384 -1.370 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[C@H]([NH2+]CCc3ccnn3C)C2)c1=O ZINC001022331779 668357206 /nfs/dbraw/zinc/35/72/06/668357206.db2.gz OPTLAGSKWOJXRC-TXEJJXNPSA-N 1 0 333.396 -1.205 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1)c1nncn1C ZINC001022332067 668357215 /nfs/dbraw/zinc/35/72/15/668357215.db2.gz RWRRQBNFIPALLP-GARJFASQSA-N 1 0 334.384 -1.292 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1)c1nncn1C ZINC001022332074 668357175 /nfs/dbraw/zinc/35/71/75/668357175.db2.gz RWRRQBNFIPALLP-MXWKQRLJSA-N 1 0 334.384 -1.292 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)c1=O ZINC001022332265 668357067 /nfs/dbraw/zinc/35/70/67/668357067.db2.gz UIZSJKDPUOGCDA-PHIMTYICSA-N 1 0 337.384 -2.156 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022332270 668357137 /nfs/dbraw/zinc/35/71/37/668357137.db2.gz URFJCQVYBNHCCQ-AXFHLTTASA-N 1 0 343.405 -1.537 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022332271 668357056 /nfs/dbraw/zinc/35/70/56/668357056.db2.gz URFJCQVYBNHCCQ-OUAUKWLOSA-N 1 0 343.405 -1.537 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001022332273 668357261 /nfs/dbraw/zinc/35/72/61/668357261.db2.gz URNSJBGGCJYBQA-BETUJISGSA-N 1 0 348.411 -1.273 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)c1=O ZINC001022332303 668357022 /nfs/dbraw/zinc/35/70/22/668357022.db2.gz VQWCBRHXXYTMHL-GRYCIOLGSA-N 1 0 346.395 -1.402 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)c1=O ZINC001022332304 668357182 /nfs/dbraw/zinc/35/71/82/668357182.db2.gz VQWCBRHXXYTMHL-TUAOUCFPSA-N 1 0 346.395 -1.402 20 0 EAADRO CCCn1nnnc1CN[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001022332415 668357145 /nfs/dbraw/zinc/35/71/45/668357145.db2.gz WTDYWRGZCVRPTB-PHIMTYICSA-N 1 0 349.399 -1.585 20 0 EAADRO CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001022332453 668357274 /nfs/dbraw/zinc/35/72/74/668357274.db2.gz YLVIKLSAZRCIBX-TXEJJXNPSA-N 1 0 348.411 -1.061 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)c1=O ZINC001022332671 668356992 /nfs/dbraw/zinc/35/69/92/668356992.db2.gz BPKRAXXURADCPL-DTORHVGOSA-N 1 0 336.356 -2.559 20 0 EAADRO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001022332727 668357027 /nfs/dbraw/zinc/35/70/27/668357027.db2.gz DFJWDHQHVPXZLM-TXEJJXNPSA-N 1 0 348.411 -1.061 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)c1=O ZINC001022333298 668356937 /nfs/dbraw/zinc/35/69/37/668356937.db2.gz QEACCDDXIDCSOT-BETUJISGSA-N 1 0 346.391 -1.283 20 0 EAADRO CCc1nnc(CN[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)o1 ZINC001022333357 668357085 /nfs/dbraw/zinc/35/70/85/668357085.db2.gz QXNAPJZQDJJQMN-AOOOYVTPSA-N 1 0 335.368 -1.036 20 0 EAADRO CC(C)n1nnnc1CN[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001022333429 668357193 /nfs/dbraw/zinc/35/71/93/668357193.db2.gz UBMBYVUHUKLUGW-PHIMTYICSA-N 1 0 349.399 -1.414 20 0 EAADRO CCc1nc(CN[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)no1 ZINC001022333651 668357266 /nfs/dbraw/zinc/35/72/66/668357266.db2.gz ZCCQYJBGRNREJT-AOOOYVTPSA-N 1 0 335.368 -1.036 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H](NCc3nnnn3C3CC3)C2)c1=O ZINC001022333674 668357074 /nfs/dbraw/zinc/35/70/74/668357074.db2.gz ZRWOQEXXXSSMDE-AOOOYVTPSA-N 1 0 347.383 -1.660 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022335655 668357528 /nfs/dbraw/zinc/35/75/28/668357528.db2.gz GKKGOKVQQJFKCG-GRYCIOLGSA-N 1 0 338.412 -1.434 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022335663 668357479 /nfs/dbraw/zinc/35/74/79/668357479.db2.gz GKKGOKVQQJFKCG-TUAOUCFPSA-N 1 0 338.412 -1.434 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022336534 668357688 /nfs/dbraw/zinc/35/76/88/668357688.db2.gz RXQFPYRJXHKVGA-QNWHQSFQSA-N 1 0 338.408 -1.251 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022336536 668357506 /nfs/dbraw/zinc/35/75/06/668357506.db2.gz RXQFPYRJXHKVGA-RNJOBUHISA-N 1 0 338.408 -1.251 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022336537 668357591 /nfs/dbraw/zinc/35/75/91/668357591.db2.gz RXQFPYRJXHKVGA-XQHKEYJVSA-N 1 0 338.408 -1.251 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022336540 668357739 /nfs/dbraw/zinc/35/77/39/668357739.db2.gz RXQFPYRJXHKVGA-YVECIDJPSA-N 1 0 338.408 -1.251 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022336885 668357657 /nfs/dbraw/zinc/35/76/57/668357657.db2.gz XAJDJHWGTGFOHJ-HZSPNIEDSA-N 1 0 339.440 -1.031 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022336887 668357790 /nfs/dbraw/zinc/35/77/90/668357790.db2.gz XAJDJHWGTGFOHJ-MJBXVCDLSA-N 1 0 339.440 -1.031 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC(=O)N1 ZINC001022343489 668357982 /nfs/dbraw/zinc/35/79/82/668357982.db2.gz OFVWFYINOOYSRD-DBIOUOCHSA-N 1 0 336.396 -1.240 20 0 EAADRO C[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC(=O)N1 ZINC001022343490 668358293 /nfs/dbraw/zinc/35/82/93/668358293.db2.gz OFVWFYINOOYSRD-XWLWVQCSSA-N 1 0 336.396 -1.240 20 0 EAADRO C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC(=O)N1 ZINC001022343491 668358355 /nfs/dbraw/zinc/35/83/55/668358355.db2.gz OFVWFYINOOYSRD-YTWAJWBKSA-N 1 0 336.396 -1.240 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC(=O)N1 ZINC001022343492 668358308 /nfs/dbraw/zinc/35/83/08/668358308.db2.gz OFVWFYINOOYSRD-ZRUFSTJUSA-N 1 0 336.396 -1.240 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1)N1CCOCC1 ZINC001022344605 668358020 /nfs/dbraw/zinc/35/80/20/668358020.db2.gz GFPLPSBWBXUPOC-RWMBFGLXSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1)N1CCOCC1 ZINC001022344611 668358213 /nfs/dbraw/zinc/35/82/13/668358213.db2.gz GFPLPSBWBXUPOC-UPJWGTAASA-N 1 0 338.408 -1.392 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)n(C)c1=O ZINC001022346974 668358711 /nfs/dbraw/zinc/35/87/11/668358711.db2.gz JXVXUCIKBFFZBA-DTORHVGOSA-N 1 0 333.352 -1.747 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001022347011 668358906 /nfs/dbraw/zinc/35/89/06/668358906.db2.gz LILUECGUTOBFOK-SDDRHHMPSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001022347012 668358828 /nfs/dbraw/zinc/35/88/28/668358828.db2.gz LILUECGUTOBFOK-UTUOFQBUSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001022347642 668358736 /nfs/dbraw/zinc/35/87/36/668358736.db2.gz WAVVZCIQOXCFBG-GARJFASQSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001022347643 668358902 /nfs/dbraw/zinc/35/89/02/668358902.db2.gz WAVVZCIQOXCFBG-MXWKQRLJSA-N 1 0 337.380 -1.699 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+][C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)C1=O ZINC001022348484 668359079 /nfs/dbraw/zinc/35/90/79/668359079.db2.gz QDFMSVWRWRLUJM-DTORHVGOSA-N 1 0 335.368 -1.015 20 0 EAADRO CCc1n[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022350172 668359122 /nfs/dbraw/zinc/35/91/22/668359122.db2.gz ITBFNWUUYGIBEB-PHIMTYICSA-N 1 0 348.407 -1.219 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)c1cn[nH]n1 ZINC001022352179 668359798 /nfs/dbraw/zinc/35/97/98/668359798.db2.gz MMNPGMBYELJOHA-AOOOYVTPSA-N 1 0 328.398 -1.309 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)c3ccc(=O)n(C)c3)C2)nc1=O ZINC001022354074 668359626 /nfs/dbraw/zinc/35/96/26/668359626.db2.gz BUPMBINQSGPWGR-PHIMTYICSA-N 1 0 332.364 -1.142 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)CC1 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Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)nc1=O ZINC001022497048 668367960 /nfs/dbraw/zinc/36/79/60/668367960.db2.gz GTZFYCUIWSFCIH-MXWKQRLJSA-N 1 0 336.396 -1.239 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)N(C(C)=O)C1 ZINC001022505896 668368247 /nfs/dbraw/zinc/36/82/47/668368247.db2.gz MWBATRHNCQAQCS-AHRFKUBPSA-N 1 0 326.397 -1.267 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)N(C(C)=O)C1 ZINC001022505897 668368411 /nfs/dbraw/zinc/36/84/11/668368411.db2.gz MWBATRHNCQAQCS-RFSPMECJSA-N 1 0 326.397 -1.267 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)N(C(C)=O)C1 ZINC001022506029 668368326 /nfs/dbraw/zinc/36/83/26/668368326.db2.gz RAVMBVCZFMJLHR-MEBFFEOJSA-N 1 0 338.408 -1.253 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)N(C(C)=O)C1 ZINC001022506030 668368450 /nfs/dbraw/zinc/36/84/50/668368450.db2.gz RAVMBVCZFMJLHR-ZUWCUPBKSA-N 1 0 338.408 -1.253 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2csnn2)C1)N1CCNC(=O)C1 ZINC001022506434 668368443 /nfs/dbraw/zinc/36/84/43/668368443.db2.gz PDCGDHNBVWZSPS-DTORHVGOSA-N 1 0 338.393 -1.653 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1)C(N)=O ZINC001022517942 668368401 /nfs/dbraw/zinc/36/84/01/668368401.db2.gz BAAJMKFNAZFGFS-AEJSXWLSSA-N 1 0 347.383 -1.192 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1)C(N)=O ZINC001022517943 668368392 /nfs/dbraw/zinc/36/83/92/668368392.db2.gz BAAJMKFNAZFGFS-KXUCPTDWSA-N 1 0 347.383 -1.192 20 0 EAADRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)nn1-c1nc[nH]n1 ZINC001022518023 668368292 /nfs/dbraw/zinc/36/82/92/668368292.db2.gz FBWRXOGYCSOGOF-AEJSXWLSSA-N 1 0 345.367 -1.567 20 0 EAADRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)nn1-c1nc[nH]n1 ZINC001022518024 668368189 /nfs/dbraw/zinc/36/81/89/668368189.db2.gz FBWRXOGYCSOGOF-KXUCPTDWSA-N 1 0 345.367 -1.567 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001022518039 668368881 /nfs/dbraw/zinc/36/88/81/668368881.db2.gz GICMRXMMJKLIQM-GARJFASQSA-N 1 0 332.364 -1.393 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001022518040 668368955 /nfs/dbraw/zinc/36/89/55/668368955.db2.gz GICMRXMMJKLIQM-MXWKQRLJSA-N 1 0 332.364 -1.393 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022518452 668368997 /nfs/dbraw/zinc/36/89/97/668368997.db2.gz OAQGVPQLQLABKZ-GRYCIOLGSA-N 1 0 344.375 -1.379 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022518458 668368775 /nfs/dbraw/zinc/36/87/75/668368775.db2.gz OAQGVPQLQLABKZ-TUAOUCFPSA-N 1 0 344.375 -1.379 20 0 EAADRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001022518809 668368454 /nfs/dbraw/zinc/36/84/54/668368454.db2.gz WQOREBXOCMVXQK-CNUIFLNQSA-N 1 0 333.356 -1.582 20 0 EAADRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001022518830 668368422 /nfs/dbraw/zinc/36/84/22/668368422.db2.gz WQOREBXOCMVXQK-VDAHYXPESA-N 1 0 333.356 -1.582 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001022518864 668368395 /nfs/dbraw/zinc/36/83/95/668368395.db2.gz XMBJCADAMHBYAL-GRYCIOLGSA-N 1 0 346.391 -1.003 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1)C(N)=O ZINC001022518870 668368441 /nfs/dbraw/zinc/36/84/41/668368441.db2.gz XMBJCADAMHBYAL-TUAOUCFPSA-N 1 0 346.391 -1.003 20 0 EAADRO Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022519523 668368366 /nfs/dbraw/zinc/36/83/66/668368366.db2.gz MTEVZHFOHLBVFJ-PHIMTYICSA-N 1 0 334.380 -1.473 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001022526757 668368815 /nfs/dbraw/zinc/36/88/15/668368815.db2.gz GXDBZYIUQRQVRZ-AOOOYVTPSA-N 1 0 347.379 -1.439 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)CC1 ZINC001022528245 668368810 /nfs/dbraw/zinc/36/88/10/668368810.db2.gz LUDWVLSIEUFNFF-WCQYABFASA-N 1 0 338.408 -1.358 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)c1=O ZINC001022528576 668368677 /nfs/dbraw/zinc/36/86/77/668368677.db2.gz FPZDUCBFQVFCAE-AOOOYVTPSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)c1=O ZINC001022528580 668368966 /nfs/dbraw/zinc/36/89/66/668368966.db2.gz FUJDABLIBZNEEY-PHIMTYICSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001022528592 668369044 /nfs/dbraw/zinc/36/90/44/668369044.db2.gz GDUSSJYCVSSKAZ-NGZCFLSTSA-N 1 0 335.364 -1.385 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001022528593 668368934 /nfs/dbraw/zinc/36/89/34/668368934.db2.gz GDUSSJYCVSSKAZ-WCABBAIRSA-N 1 0 335.364 -1.385 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022528594 668368780 /nfs/dbraw/zinc/36/87/80/668368780.db2.gz GDYXYDXXPDCICU-AOOOYVTPSA-N 1 0 335.368 -2.078 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c1=O ZINC001022528693 668368897 /nfs/dbraw/zinc/36/88/97/668368897.db2.gz KOHWSXDMJHOJGJ-KHQFGBGNSA-N 1 0 349.347 -1.859 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c1=O ZINC001022528694 668369051 /nfs/dbraw/zinc/36/90/51/668369051.db2.gz KOHWSXDMJHOJGJ-XKSSXDPKSA-N 1 0 349.347 -1.859 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001022528965 668368655 /nfs/dbraw/zinc/36/86/55/668368655.db2.gz RWUXOUGJFQNRIH-PHIMTYICSA-N 1 0 342.425 -1.001 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)c1=O ZINC001022530071 668368760 /nfs/dbraw/zinc/36/87/60/668368760.db2.gz PWEQMTBQUFQFBO-PHIMTYICSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)c1=O ZINC001022530441 668368938 /nfs/dbraw/zinc/36/89/38/668368938.db2.gz XPUGCILXGLJDNA-AOOOYVTPSA-N 1 0 333.352 -1.372 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001022530653 668368632 /nfs/dbraw/zinc/36/86/32/668368632.db2.gz BJSAGDZRGFKZQB-AXFHLTTASA-N 1 0 336.396 -1.144 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)C[C@H]3CCC(=O)N3C)C2)nc1=O ZINC001022530655 668369006 /nfs/dbraw/zinc/36/90/06/668369006.db2.gz BJSAGDZRGFKZQB-OUAUKWLOSA-N 1 0 336.396 -1.144 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022533154 668369175 /nfs/dbraw/zinc/36/91/75/668369175.db2.gz RUIONTCVQIMEQD-DTORHVGOSA-N 1 0 335.368 -1.099 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccn2nnnc2c1 ZINC001022533702 668369432 /nfs/dbraw/zinc/36/94/32/668369432.db2.gz FLCPWSVSENGAHC-AXFHLTTASA-N 1 0 343.347 -1.220 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccn2nnnc2c1 ZINC001022533703 668369526 /nfs/dbraw/zinc/36/95/26/668369526.db2.gz FLCPWSVSENGAHC-OUAUKWLOSA-N 1 0 343.347 -1.220 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)c1ccn2nnnc2c1 ZINC001022533909 668369197 /nfs/dbraw/zinc/36/91/97/668369197.db2.gz IVDNQDJAQLMALH-TXEJJXNPSA-N 1 0 344.379 -1.000 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn4nnnc4c3)C2)nc1=O ZINC001022534169 668369242 /nfs/dbraw/zinc/36/92/42/668369242.db2.gz MPICXBTWHNQIFB-AOOOYVTPSA-N 1 0 343.351 -1.403 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)NC1=O ZINC001022535844 668369355 /nfs/dbraw/zinc/36/93/55/668369355.db2.gz OYAQZQBSCZLJIR-AXFHLTTASA-N 1 0 337.380 -1.604 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)NC1=O ZINC001022535846 668369169 /nfs/dbraw/zinc/36/91/69/668369169.db2.gz OYAQZQBSCZLJIR-OUAUKWLOSA-N 1 0 337.380 -1.604 20 0 EAADRO CCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C2)n1C ZINC001022535975 668369324 /nfs/dbraw/zinc/36/93/24/668369324.db2.gz RDRLTWYZEDGAHJ-TXEJJXNPSA-N 1 0 349.439 -1.454 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001022536364 668369439 /nfs/dbraw/zinc/36/94/39/668369439.db2.gz TWXNOLBDLMETOQ-BETUJISGSA-N 1 0 337.424 -1.723 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C2)cc1=O ZINC001022536602 668369235 /nfs/dbraw/zinc/36/92/35/668369235.db2.gz XXIGIHPTUYMJLC-OKILXGFUSA-N 1 0 347.419 -1.446 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@H]1CCNC1=O ZINC001022536764 668369275 /nfs/dbraw/zinc/36/92/75/668369275.db2.gz AJCVKFIPWMMLJK-AXFHLTTASA-N 1 0 334.380 -1.319 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1CCNC1=O ZINC001022536768 668369295 /nfs/dbraw/zinc/36/92/95/668369295.db2.gz AJCVKFIPWMMLJK-OUAUKWLOSA-N 1 0 334.380 -1.319 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001022536778 668369201 /nfs/dbraw/zinc/36/92/01/668369201.db2.gz 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LHCCIPMJKNTBCN-UTUOFQBUSA-N 1 0 339.396 -2.164 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001022636071 668379079 /nfs/dbraw/zinc/37/90/79/668379079.db2.gz OYPWJOOIMNTDBD-AOOOYVTPSA-N 1 0 325.369 -2.568 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC001022636121 668379466 /nfs/dbraw/zinc/37/94/66/668379466.db2.gz RCGAYCKIOOPXIX-AOOOYVTPSA-N 1 0 345.359 -1.306 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001022636236 668379222 /nfs/dbraw/zinc/37/92/22/668379222.db2.gz URXKYKOEWLHOKG-DBIOUOCHSA-N 1 0 339.396 -2.179 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001022636239 668379424 /nfs/dbraw/zinc/37/94/24/668379424.db2.gz URXKYKOEWLHOKG-XWLWVQCSSA-N 1 0 339.396 -2.179 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001022636240 668379418 /nfs/dbraw/zinc/37/94/18/668379418.db2.gz URXKYKOEWLHOKG-YTWAJWBKSA-N 1 0 339.396 -2.179 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001022636241 668379041 /nfs/dbraw/zinc/37/90/41/668379041.db2.gz URXKYKOEWLHOKG-ZRUFSTJUSA-N 1 0 339.396 -2.179 20 0 EAADRO CN(C)S(=O)(=O)c1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)co1 ZINC001022636574 668379084 /nfs/dbraw/zinc/37/90/84/668379084.db2.gz ZOFKASCFCWKBED-AOOOYVTPSA-N 1 0 344.393 -1.248 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001022637110 668379097 /nfs/dbraw/zinc/37/90/97/668379097.db2.gz AKCMOAPWGOSUNR-PHIMTYICSA-N 1 0 339.396 -2.307 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3C[C@@H](NC(=O)C(N)=O)C3)C2=O)cn1 ZINC001022637113 668379338 /nfs/dbraw/zinc/37/93/38/668379338.db2.gz ANOWWCJOHGPKAE-JFGNBEQYSA-N 1 0 334.380 -1.362 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3C[C@@H](NC(=O)C(N)=O)C3)C2=O)cn1 ZINC001022637114 668379325 /nfs/dbraw/zinc/37/93/25/668379325.db2.gz ANOWWCJOHGPKAE-UMNHJUIQSA-N 1 0 334.380 -1.362 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001022637144 668379262 /nfs/dbraw/zinc/37/92/62/668379262.db2.gz CEHHHXMLTIZJLF-JLLWLGSASA-N 1 0 339.396 -2.212 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001022637145 668379032 /nfs/dbraw/zinc/37/90/32/668379032.db2.gz CEHHHXMLTIZJLF-ZMLRMANQSA-N 1 0 339.396 -2.212 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001022637155 668379333 /nfs/dbraw/zinc/37/93/33/668379333.db2.gz CTBZPDBPEVTSEE-IEBDPFPHSA-N 1 0 339.396 -2.179 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001022637156 668379318 /nfs/dbraw/zinc/37/93/18/668379318.db2.gz CTBZPDBPEVTSEE-INTQDDNPSA-N 1 0 339.396 -2.179 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001022637214 668379476 /nfs/dbraw/zinc/37/94/76/668379476.db2.gz GOWFUMUAQBTOFA-BBBLOLIVSA-N 1 0 325.369 -2.568 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001022637215 668379382 /nfs/dbraw/zinc/37/93/82/668379382.db2.gz GOWFUMUAQBTOFA-LPEHRKFASA-N 1 0 325.369 -2.568 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H](NC(=O)C(N)=O)C3)C2=O)n1 ZINC001022637248 668379267 /nfs/dbraw/zinc/37/92/67/668379267.db2.gz IDMJZQUJEQNYLR-AXFHLTTASA-N 1 0 334.380 -1.362 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3C[C@@H](NC(=O)C(N)=O)C3)C2=O)n1 ZINC001022637249 668379225 /nfs/dbraw/zinc/37/92/25/668379225.db2.gz IDMJZQUJEQNYLR-OUAUKWLOSA-N 1 0 334.380 -1.362 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3C[C@@H](NC(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001022637909 668379350 /nfs/dbraw/zinc/37/93/50/668379350.db2.gz RJVSYNGAGMWGFW-AXFHLTTASA-N 1 0 334.380 -1.444 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3C[C@@H](NC(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001022637911 668379420 /nfs/dbraw/zinc/37/94/20/668379420.db2.gz RJVSYNGAGMWGFW-OUAUKWLOSA-N 1 0 334.380 -1.444 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001022638160 668379193 /nfs/dbraw/zinc/37/91/93/668379193.db2.gz XISVIYIJWNAVLH-PHIMTYICSA-N 1 0 325.369 -2.601 20 0 EAADRO Cc1nocc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022640305 668379139 /nfs/dbraw/zinc/37/91/39/668379139.db2.gz OTXQBHGEFDXJTO-PHIMTYICSA-N 1 0 335.364 -1.208 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)[nH]c1=O ZINC001022651351 668379856 /nfs/dbraw/zinc/37/98/56/668379856.db2.gz CQIXCNXWPUFMQP-PHIMTYICSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)[nH]c1=O ZINC001022651366 668379791 /nfs/dbraw/zinc/37/97/91/668379791.db2.gz DJKUGSSMNNTRSR-DTORHVGOSA-N 1 0 336.352 -1.472 20 0 EAADRO C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC(=O)N1 ZINC001022660700 668379971 /nfs/dbraw/zinc/37/99/71/668379971.db2.gz DARYCIGNPKVRCS-OZVIIMIRSA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1)N1CCNC(=O)C1 ZINC001022667901 668379960 /nfs/dbraw/zinc/37/99/60/668379960.db2.gz ISUJTUOVFMVWPG-DTORHVGOSA-N 1 0 338.343 -1.642 20 0 EAADRO C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CCC(=O)N1 ZINC001022675298 668380986 /nfs/dbraw/zinc/38/09/86/668380986.db2.gz JEEVCDPQJAYSTR-WMFXKJRFSA-N 1 0 337.380 -1.556 20 0 EAADRO Cn1c(=O)cccc1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022686334 668382266 /nfs/dbraw/zinc/38/22/66/668382266.db2.gz GZLQJKFMIKIQGM-PHIMTYICSA-N 1 0 347.375 -1.213 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1)C(N)=O ZINC001022687600 668382290 /nfs/dbraw/zinc/38/22/90/668382290.db2.gz KDFIROZWTFBJCT-BKPPORCPSA-N 1 0 344.397 -1.829 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1)C(N)=O ZINC001022687609 668382105 /nfs/dbraw/zinc/38/21/05/668382105.db2.gz KDFIROZWTFBJCT-OOZYFLPDSA-N 1 0 344.397 -1.829 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc(=O)n3C)C2)nc1=O ZINC001022687793 668382332 /nfs/dbraw/zinc/38/23/32/668382332.db2.gz MZMFCWVTMQOONP-AOOOYVTPSA-N 1 0 332.364 -1.142 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001022687899 668382094 /nfs/dbraw/zinc/38/20/94/668382094.db2.gz RNZHMKJIBLUAEH-BBBLOLIVSA-N 1 0 343.409 -1.056 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001022687900 668382252 /nfs/dbraw/zinc/38/22/52/668382252.db2.gz RNZHMKJIBLUAEH-LPEHRKFASA-N 1 0 343.409 -1.056 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1)C(N)=O ZINC001022688004 668382043 /nfs/dbraw/zinc/38/20/43/668382043.db2.gz XHLDVVRONVXGJT-LYFYHCNISA-N 1 0 330.370 -2.219 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1)C(N)=O ZINC001022688005 668382180 /nfs/dbraw/zinc/38/21/80/668382180.db2.gz XHLDVVRONVXGJT-QYNIQEEDSA-N 1 0 330.370 -2.219 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022689514 668382526 /nfs/dbraw/zinc/38/25/26/668382526.db2.gz QLGMGSATGRYVFY-BKPPORCPSA-N 1 0 342.381 -2.204 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022689519 668382619 /nfs/dbraw/zinc/38/26/19/668382619.db2.gz QLGMGSATGRYVFY-OOZYFLPDSA-N 1 0 342.381 -2.204 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C(N)=O)co3)C2)nc1=O ZINC001022694331 668383092 /nfs/dbraw/zinc/38/30/92/668383092.db2.gz QDWDLJHVENWRKX-DTORHVGOSA-N 1 0 334.336 -1.149 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCC(=O)N3)C2)nc1=O ZINC001022694596 668383200 /nfs/dbraw/zinc/38/32/00/668383200.db2.gz URECDPHDGFYOAE-AXFHLTTASA-N 1 0 336.396 -1.096 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCC(=O)N3)C2)nc1=O ZINC001022694672 668383164 /nfs/dbraw/zinc/38/31/64/668383164.db2.gz URECDPHDGFYOAE-OUAUKWLOSA-N 1 0 336.396 -1.096 20 0 EAADRO NC(=O)c1coc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)c1 ZINC001022695767 668383028 /nfs/dbraw/zinc/38/30/28/668383028.db2.gz MRSINOFKNXUNDZ-AOOOYVTPSA-N 1 0 349.347 -1.219 20 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C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CCNC1=O ZINC001022702575 668383419 /nfs/dbraw/zinc/38/34/19/668383419.db2.gz IAUUPUBBMHBXIY-OZVIIMIRSA-N 1 0 338.408 -1.392 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1=O ZINC001022702697 668383521 /nfs/dbraw/zinc/38/35/21/668383521.db2.gz CSPCNGMLLWLYMF-FPYNETTCSA-N 1 0 338.408 -1.123 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1=O ZINC001022702700 668383506 /nfs/dbraw/zinc/38/35/06/668383506.db2.gz CSPCNGMLLWLYMF-RXGFPQBGSA-N 1 0 338.408 -1.123 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001022703375 668383673 /nfs/dbraw/zinc/38/36/73/668383673.db2.gz KXWSKZHFWDOPBH-QCLAVDOMSA-N 1 0 338.368 -2.122 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001022703491 668383488 /nfs/dbraw/zinc/38/34/88/668383488.db2.gz MFQIMUFSLHQOFS-HPENLJRUSA-N 1 0 338.364 -1.939 20 0 EAADRO 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CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001022783326 668395535 /nfs/dbraw/zinc/39/55/35/668395535.db2.gz PCZRBSBMOXGTDY-AXFHLTTASA-N 1 0 349.395 -1.059 20 0 EAADRO COc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001022783511 668395646 /nfs/dbraw/zinc/39/56/46/668395646.db2.gz QYJCSIUDNYZHSV-NGZCFLSTSA-N 1 0 348.363 -1.180 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022783604 668395426 /nfs/dbraw/zinc/39/54/26/668395426.db2.gz RWQCZBRDZKSWGR-AXFHLTTASA-N 1 0 337.380 -1.556 20 0 EAADRO CCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1C ZINC001022783639 668395554 /nfs/dbraw/zinc/39/55/54/668395554.db2.gz STNLPGUOCLYQRL-AEJSXWLSSA-N 1 0 349.395 -1.288 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022783660 668395415 /nfs/dbraw/zinc/39/54/15/668395415.db2.gz UAKJGGIMWNHQQA-UMNHJUIQSA-N 1 0 334.380 -1.203 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001022783872 668395623 /nfs/dbraw/zinc/39/56/23/668395623.db2.gz VUGQKIOPGXWFEK-VLEAKVRGSA-N 1 0 337.380 -1.558 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001022783873 668395462 /nfs/dbraw/zinc/39/54/62/668395462.db2.gz VUGQKIOPGXWFEK-YTWAJWBKSA-N 1 0 337.380 -1.558 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022783884 668396131 /nfs/dbraw/zinc/39/61/31/668396131.db2.gz WLQTUHCJBLNTLY-AEJSXWLSSA-N 1 0 335.368 -1.367 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022784088 668396087 /nfs/dbraw/zinc/39/60/87/668396087.db2.gz ZZFNLYBSRFHZDJ-KZVJFYERSA-N 1 0 337.336 -2.374 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022784089 668396005 /nfs/dbraw/zinc/39/60/05/668396005.db2.gz ZZFNLYBSRFHZDJ-XAVMHZPKSA-N 1 0 337.336 -2.374 20 0 EAADRO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022784127 668395933 /nfs/dbraw/zinc/39/59/33/668395933.db2.gz ALHGCDIXCMAIIL-AXFHLTTASA-N 1 0 349.395 -1.059 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022784725 668396439 /nfs/dbraw/zinc/39/64/39/668396439.db2.gz MCWQBXCERSPFTD-NGZCFLSTSA-N 1 0 335.368 -1.367 20 0 EAADRO COc1nccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001022784921 668396138 /nfs/dbraw/zinc/39/61/38/668396138.db2.gz OXXDJWXDKQZSBE-AXFHLTTASA-N 1 0 348.363 -1.180 20 0 EAADRO Cc1ccnn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022788525 668397156 /nfs/dbraw/zinc/39/71/56/668397156.db2.gz VHZXDSPOBVRPMQ-TXEJJXNPSA-N 1 0 334.380 -1.020 20 0 EAADRO Cc1ccnn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022790155 668397680 /nfs/dbraw/zinc/39/76/80/668397680.db2.gz TVKBWGHRNMTHMC-BETUJISGSA-N 1 0 348.407 -1.613 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCCS(=O)(=O)C1 ZINC001022799468 668398246 /nfs/dbraw/zinc/39/82/46/668398246.db2.gz PLSXPXDMDAGFTC-NNYUYHANSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCCS(=O)(=O)C1 ZINC001022799469 668398225 /nfs/dbraw/zinc/39/82/25/668398225.db2.gz PLSXPXDMDAGFTC-WISYIIOYSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCCS(=O)(=O)C1 ZINC001022799470 668398320 /nfs/dbraw/zinc/39/83/20/668398320.db2.gz PLSXPXDMDAGFTC-WYUUTHIRSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCCS(=O)(=O)C1 ZINC001022799471 668398064 /nfs/dbraw/zinc/39/80/64/668398064.db2.gz PLSXPXDMDAGFTC-YFKTTZPYSA-N 1 0 329.422 -1.064 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)c(=O)n(C)c1=O ZINC001022799490 668398199 /nfs/dbraw/zinc/39/81/99/668398199.db2.gz PVMQREDAPQNNIU-PHIMTYICSA-N 1 0 347.379 -1.774 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)c(=O)n(C)c1=O ZINC001022799498 668398305 /nfs/dbraw/zinc/39/83/05/668398305.db2.gz QEIHEXWWXJMTQG-TXEJJXNPSA-N 1 0 346.391 -1.169 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)c(=O)n(C)c1=O ZINC001022799522 668397957 /nfs/dbraw/zinc/39/79/57/668397957.db2.gz QVIGALDLQNDCEO-SDDRHHMPSA-N 1 0 336.392 -1.029 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)c(=O)n(C)c1=O ZINC001022799523 668398730 /nfs/dbraw/zinc/39/87/30/668398730.db2.gz QVIGALDLQNDCEO-UTUOFQBUSA-N 1 0 336.392 -1.029 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(N)=O ZINC001022799555 668398814 /nfs/dbraw/zinc/39/88/14/668398814.db2.gz RWNCXTDTVRDMOS-NGZCFLSTSA-N 1 0 337.380 -1.802 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(N)=O ZINC001022799556 668398798 /nfs/dbraw/zinc/39/87/98/668398798.db2.gz RWNCXTDTVRDMOS-WCABBAIRSA-N 1 0 337.380 -1.802 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1=O ZINC001022799720 668398910 /nfs/dbraw/zinc/39/89/10/668398910.db2.gz YFIQTVXXEBLKTH-JFGNBEQYSA-N 1 0 349.391 -1.835 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1=O ZINC001022799721 668398768 /nfs/dbraw/zinc/39/87/68/668398768.db2.gz YFIQTVXXEBLKTH-UMNHJUIQSA-N 1 0 349.391 -1.835 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCS(=O)(=O)CC1 ZINC001022800493 668398600 /nfs/dbraw/zinc/39/86/00/668398600.db2.gz XSCVMXLTOYYIRJ-GRYCIOLGSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CCS(=O)(=O)CC1 ZINC001022800494 668398886 /nfs/dbraw/zinc/39/88/86/668398886.db2.gz XSCVMXLTOYYIRJ-TUAOUCFPSA-N 1 0 329.422 -1.064 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)CN3C(=O)C(=O)N(C)C3=O)C2)n1 ZINC001022800961 668398914 /nfs/dbraw/zinc/39/89/14/668398914.db2.gz BJYVSCWJTJZIEP-PHIMTYICSA-N 1 0 348.363 -1.423 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC001022800972 668398874 /nfs/dbraw/zinc/39/88/74/668398874.db2.gz BLFDIOPINDIUCF-BBBLOLIVSA-N 1 0 333.352 -1.998 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC001022800982 668398580 /nfs/dbraw/zinc/39/85/80/668398580.db2.gz BLFDIOPINDIUCF-LPEHRKFASA-N 1 0 333.352 -1.998 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001022800991 668398679 /nfs/dbraw/zinc/39/86/79/668398679.db2.gz BMOXSIOYJRPKHV-AOOOYVTPSA-N 1 0 347.379 -1.737 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001022800996 668398819 /nfs/dbraw/zinc/39/88/19/668398819.db2.gz BOAPPTJNWGFHFQ-AOOOYVTPSA-N 1 0 347.379 -1.737 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H](NC(=O)CN3C(=O)C(=O)N(C)C3=O)C2)cn1 ZINC001022801196 668398883 /nfs/dbraw/zinc/39/88/83/668398883.db2.gz BVYRETLYFRXHEB-PHIMTYICSA-N 1 0 348.363 -1.423 20 0 EAADRO Cn1ccnc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022801297 668398564 /nfs/dbraw/zinc/39/85/64/668398564.db2.gz DUDNGKPKWMASRL-AOOOYVTPSA-N 1 0 348.363 -1.423 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001022801418 668398614 /nfs/dbraw/zinc/39/86/14/668398614.db2.gz DZXYDPKGNFVOKT-PHIMTYICSA-N 1 0 346.391 -1.132 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C2)cn1 ZINC001022801436 668398921 /nfs/dbraw/zinc/39/89/21/668398921.db2.gz FUGBZFINCBERHK-TXEJJXNPSA-N 1 0 346.391 -1.132 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1=O ZINC001022801446 668398826 /nfs/dbraw/zinc/39/88/26/668398826.db2.gz FWHYXCARHWSBHZ-AOOOYVTPSA-N 1 0 349.351 -2.065 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022801638 668398717 /nfs/dbraw/zinc/39/87/17/668398717.db2.gz HVYAEKVITAWMBG-DTORHVGOSA-N 1 0 349.351 -2.028 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)C1=O ZINC001022801700 668398656 /nfs/dbraw/zinc/39/86/56/668398656.db2.gz JQFHUAPKBPGIGM-PHIMTYICSA-N 1 0 348.363 -1.460 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c(=O)n(C)c1=O ZINC001022801707 668398881 /nfs/dbraw/zinc/39/88/81/668398881.db2.gz JVVNXXFNXHNQAD-JFGNBEQYSA-N 1 0 349.391 -1.787 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c(=O)n(C)c1=O ZINC001022801708 668398844 /nfs/dbraw/zinc/39/88/44/668398844.db2.gz JVVNXXFNXHNQAD-UMNHJUIQSA-N 1 0 349.391 -1.787 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3C(=O)C(=O)N(C)C3=O)C2)[nH]1 ZINC001022801714 668398667 /nfs/dbraw/zinc/39/86/67/668398667.db2.gz JZCVOVFWYOTVLI-DTORHVGOSA-N 1 0 349.351 -1.729 20 0 EAADRO Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001022801853 668398773 /nfs/dbraw/zinc/39/87/73/668398773.db2.gz LCYZTUWHALMPPH-PHIMTYICSA-N 1 0 346.391 -1.132 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022801862 668398923 /nfs/dbraw/zinc/39/89/23/668398923.db2.gz LFJFFFJQCIDYNY-AOOOYVTPSA-N 1 0 348.363 -1.423 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022801874 668398853 /nfs/dbraw/zinc/39/88/53/668398853.db2.gz LHAVPLQVRIIHHE-DTORHVGOSA-N 1 0 349.351 -2.028 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001022801911 668398608 /nfs/dbraw/zinc/39/86/08/668398608.db2.gz LVKYHFPRYRFGNG-NGZCFLSTSA-N 1 0 335.364 -2.177 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001022801912 668398623 /nfs/dbraw/zinc/39/86/23/668398623.db2.gz LVKYHFPRYRFGNG-WCABBAIRSA-N 1 0 335.364 -2.177 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1=O ZINC001022802147 668398763 /nfs/dbraw/zinc/39/87/63/668398763.db2.gz NSNOZPRUODRIJB-GARJFASQSA-N 1 0 338.364 -1.320 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1=O ZINC001022802149 668398586 /nfs/dbraw/zinc/39/85/86/668398586.db2.gz NSNOZPRUODRIJB-MXWKQRLJSA-N 1 0 338.364 -1.320 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC001022802357 668398658 /nfs/dbraw/zinc/39/86/58/668398658.db2.gz PGMCQNBOPKABDW-TXEJJXNPSA-N 1 0 346.391 -1.132 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC001022802358 668398830 /nfs/dbraw/zinc/39/88/30/668398830.db2.gz PGYYISFRPHKXQY-HRDYMLBCSA-N 1 0 337.336 -2.468 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1=O ZINC001022802359 668398690 /nfs/dbraw/zinc/39/86/90/668398690.db2.gz PGYYISFRPHKXQY-YIZRAAEISA-N 1 0 337.336 -2.468 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC001022802367 668398789 /nfs/dbraw/zinc/39/87/89/668398789.db2.gz PRNWUIYURNQOIZ-AXFHLTTASA-N 1 0 347.379 -1.608 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1)C(N)=O ZINC001022802368 668398737 /nfs/dbraw/zinc/39/87/37/668398737.db2.gz PRNWUIYURNQOIZ-OUAUKWLOSA-N 1 0 347.379 -1.608 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1)C(N)=O ZINC001022802496 668399104 /nfs/dbraw/zinc/39/91/04/668399104.db2.gz RMDCBXIVHWWUAA-HRDYMLBCSA-N 1 0 339.352 -2.092 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1)C(N)=O ZINC001022802502 668399336 /nfs/dbraw/zinc/39/93/36/668399336.db2.gz RMDCBXIVHWWUAA-YIZRAAEISA-N 1 0 339.352 -2.092 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C2)nn1 ZINC001022802589 668399434 /nfs/dbraw/zinc/39/94/34/668399434.db2.gz SVIAVDFTBJRTMQ-AOOOYVTPSA-N 1 0 347.379 -1.737 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022802601 668399094 /nfs/dbraw/zinc/39/90/94/668399094.db2.gz TVWNJPVLSCGDJQ-DTORHVGOSA-N 1 0 349.351 -2.028 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1)C(N)=O ZINC001022802623 668399057 /nfs/dbraw/zinc/39/90/57/668399057.db2.gz UOHMAQIIFDSJMZ-BIIVOSGPSA-N 1 0 325.325 -2.482 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1)C(N)=O ZINC001022802624 668399400 /nfs/dbraw/zinc/39/94/00/668399400.db2.gz UOHMAQIIFDSJMZ-PRJMDXOYSA-N 1 0 325.325 -2.482 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001022802625 668399339 /nfs/dbraw/zinc/39/93/39/668399339.db2.gz UQYXFAWQLCEGTK-AOOOYVTPSA-N 1 0 347.379 -1.737 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)c(=O)n(C)c1=O ZINC001022802771 668399461 /nfs/dbraw/zinc/39/94/61/668399461.db2.gz WMQZVHKAZDQKOR-PHIMTYICSA-N 1 0 349.391 -1.833 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001022802801 668399270 /nfs/dbraw/zinc/39/92/70/668399270.db2.gz WWNWADVDNIFPEP-PHIMTYICSA-N 1 0 346.391 -1.132 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022802809 668399288 /nfs/dbraw/zinc/39/92/88/668399288.db2.gz WZYQWZQILBHJPL-AXFHLTTASA-N 1 0 345.363 -1.984 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022802819 668399473 /nfs/dbraw/zinc/39/94/73/668399473.db2.gz WZYQWZQILBHJPL-OUAUKWLOSA-N 1 0 345.363 -1.984 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H](NC(=O)CN3C(=O)C(=O)N(C)C3=O)C2)nn1 ZINC001022802891 668399381 /nfs/dbraw/zinc/39/93/81/668399381.db2.gz XQFACURMQBWTKP-DTORHVGOSA-N 1 0 349.351 -2.028 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C2)[nH]1 ZINC001022802919 668399087 /nfs/dbraw/zinc/39/90/87/668399087.db2.gz YGOQOPHRVODICP-AOOOYVTPSA-N 1 0 347.379 -1.439 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022802984 668399159 /nfs/dbraw/zinc/39/91/59/668399159.db2.gz ZPTFZHCIUNQPFZ-AOOOYVTPSA-N 1 0 348.363 -1.423 20 0 EAADRO CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001022806309 668399465 /nfs/dbraw/zinc/39/94/65/668399465.db2.gz GVKLRXVUGGCLLS-TXEJJXNPSA-N 1 0 348.407 -1.288 20 0 EAADRO COc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001022811489 668400376 /nfs/dbraw/zinc/40/03/76/668400376.db2.gz OINZWHKPCQMRIG-DTORHVGOSA-N 1 0 333.352 -1.042 20 0 EAADRO COc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001022812937 668400241 /nfs/dbraw/zinc/40/02/41/668400241.db2.gz RJTNERKEXCDYLP-AOOOYVTPSA-N 1 0 348.363 -1.113 20 0 EAADRO CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022827721 668401503 /nfs/dbraw/zinc/40/15/03/668401503.db2.gz FLSJTBZXGZBZRW-AXFHLTTASA-N 1 0 349.395 -1.162 20 0 EAADRO CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022827722 668401707 /nfs/dbraw/zinc/40/17/07/668401707.db2.gz FLSJTBZXGZBZRW-OUAUKWLOSA-N 1 0 349.395 -1.162 20 0 EAADRO CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022827956 668401654 /nfs/dbraw/zinc/40/16/54/668401654.db2.gz OZHNPNLFTFMMPD-AOOOYVTPSA-N 1 0 349.399 -1.345 20 0 EAADRO Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001022832698 668402794 /nfs/dbraw/zinc/40/27/94/668402794.db2.gz HYIZUDAWUHFDOR-PHIMTYICSA-N 1 0 334.380 -1.473 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001022839362 668403585 /nfs/dbraw/zinc/40/35/85/668403585.db2.gz ATTCPLIWDMWOJU-AXFHLTTASA-N 1 0 342.425 -1.414 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001022839363 668403646 /nfs/dbraw/zinc/40/36/46/668403646.db2.gz ATTCPLIWDMWOJU-OUAUKWLOSA-N 1 0 342.425 -1.414 20 0 EAADRO CN1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)S1(=O)=O ZINC001022839368 668403720 /nfs/dbraw/zinc/40/37/20/668403720.db2.gz AYUDXSHSNMOTBC-LMLFDSFASA-N 1 0 330.410 -1.854 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)S1(=O)=O ZINC001022839369 668403683 /nfs/dbraw/zinc/40/36/83/668403683.db2.gz AYUDXSHSNMOTBC-VLEAKVRGSA-N 1 0 330.410 -1.854 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)S1(=O)=O ZINC001022839370 668403724 /nfs/dbraw/zinc/40/37/24/668403724.db2.gz AYUDXSHSNMOTBC-YTWAJWBKSA-N 1 0 330.410 -1.854 20 0 EAADRO CN1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)S1(=O)=O ZINC001022839371 668403797 /nfs/dbraw/zinc/40/37/97/668403797.db2.gz AYUDXSHSNMOTBC-ZRUFSTJUSA-N 1 0 330.410 -1.854 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001022839387 668403640 /nfs/dbraw/zinc/40/36/40/668403640.db2.gz CAYSJGMCFJXTKX-JFGNBEQYSA-N 1 0 342.425 -1.414 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001022839388 668403624 /nfs/dbraw/zinc/40/36/24/668403624.db2.gz CAYSJGMCFJXTKX-UMNHJUIQSA-N 1 0 342.425 -1.414 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)C2)[nH]1 ZINC001022839473 668403763 /nfs/dbraw/zinc/40/37/63/668403763.db2.gz HCWYWFBKXLJZCL-AXFHLTTASA-N 1 0 342.425 -1.116 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)C2)[nH]1 ZINC001022839474 668403695 /nfs/dbraw/zinc/40/36/95/668403695.db2.gz HCWYWFBKXLJZCL-OUAUKWLOSA-N 1 0 342.425 -1.116 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001022839499 668403776 /nfs/dbraw/zinc/40/37/76/668403776.db2.gz ICWXEPSVQOFVCX-AXFHLTTASA-N 1 0 342.425 -1.414 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001022839500 668403671 /nfs/dbraw/zinc/40/36/71/668403671.db2.gz ICWXEPSVQOFVCX-OUAUKWLOSA-N 1 0 342.425 -1.414 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)C2)nn1 ZINC001022839529 668403635 /nfs/dbraw/zinc/40/36/35/668403635.db2.gz JSPLVBOJVFSDIL-JFGNBEQYSA-N 1 0 342.425 -1.414 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)C2)nn1 ZINC001022839530 668403545 /nfs/dbraw/zinc/40/35/45/668403545.db2.gz JSPLVBOJVFSDIL-UMNHJUIQSA-N 1 0 342.425 -1.414 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1(n2cnnn2)CCOCC1 ZINC001022839537 668403616 /nfs/dbraw/zinc/40/36/16/668403616.db2.gz JWNWGXFXHISOHN-GRYCIOLGSA-N 1 0 349.395 -1.696 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)C1(n2cnnn2)CCOCC1 ZINC001022839538 668403752 /nfs/dbraw/zinc/40/37/52/668403752.db2.gz JWNWGXFXHISOHN-TUAOUCFPSA-N 1 0 349.395 -1.696 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1=O ZINC001022839570 668403798 /nfs/dbraw/zinc/40/37/98/668403798.db2.gz LBWVDURXCAGVIZ-KXNHARMFSA-N 1 0 344.437 -1.512 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1=O ZINC001022839571 668403575 /nfs/dbraw/zinc/40/35/75/668403575.db2.gz LBWVDURXCAGVIZ-USZNOCQGSA-N 1 0 344.437 -1.512 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1=O ZINC001022839572 668403596 /nfs/dbraw/zinc/40/35/96/668403596.db2.gz LBWVDURXCAGVIZ-WHOHXGKFSA-N 1 0 344.437 -1.512 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1=O ZINC001022839573 668403559 /nfs/dbraw/zinc/40/35/59/668403559.db2.gz LBWVDURXCAGVIZ-WRWGMCAJSA-N 1 0 344.437 -1.512 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001022839655 668403600 /nfs/dbraw/zinc/40/36/00/668403600.db2.gz PCBKIEIFQBQLEX-LMLFDSFASA-N 1 0 332.426 -1.479 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001022839656 668403780 /nfs/dbraw/zinc/40/37/80/668403780.db2.gz PCBKIEIFQBQLEX-VLEAKVRGSA-N 1 0 332.426 -1.479 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001022839657 668403621 /nfs/dbraw/zinc/40/36/21/668403621.db2.gz PCBKIEIFQBQLEX-YTWAJWBKSA-N 1 0 332.426 -1.479 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001022839658 668403794 /nfs/dbraw/zinc/40/37/94/668403794.db2.gz PCBKIEIFQBQLEX-ZRUFSTJUSA-N 1 0 332.426 -1.479 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1)C(N)=O ZINC001022839664 668403579 /nfs/dbraw/zinc/40/35/79/668403579.db2.gz PGZTULCKHBZFJV-GARJFASQSA-N 1 0 337.384 -1.711 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1)C(N)=O ZINC001022839665 668403692 /nfs/dbraw/zinc/40/36/92/668403692.db2.gz PGZTULCKHBZFJV-MXWKQRLJSA-N 1 0 337.384 -1.711 20 0 EAADRO CN1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)S1(=O)=O ZINC001022839770 668403802 /nfs/dbraw/zinc/40/38/02/668403802.db2.gz TUFFBIVKZOTJAB-GRYCIOLGSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)S1(=O)=O ZINC001022839771 668403756 /nfs/dbraw/zinc/40/37/56/668403756.db2.gz TUFFBIVKZOTJAB-TUAOUCFPSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)S1(=O)=O ZINC001022839792 668403659 /nfs/dbraw/zinc/40/36/59/668403659.db2.gz UOVDFWZWMBTXBG-GRYCIOLGSA-N 1 0 342.425 -1.451 20 0 EAADRO 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CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1)C(N)=O ZINC001022843977 668404207 /nfs/dbraw/zinc/40/42/07/668404207.db2.gz IKKOGOZTSDDUSW-FFONNFSISA-N 1 0 337.380 -1.525 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)C2)[nH]1 ZINC001022844168 668404216 /nfs/dbraw/zinc/40/42/16/668404216.db2.gz RHKDKFCSQQCQNR-WDNIKCMFSA-N 1 0 347.379 -1.162 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)C1CC2(C1)NC(=O)NC2=O ZINC001022844203 668404397 /nfs/dbraw/zinc/40/43/97/668404397.db2.gz SZAOUITYYYBZQV-HTJOTKDVSA-N 1 0 347.379 -1.497 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1=O ZINC001022844278 668404135 /nfs/dbraw/zinc/40/41/35/668404135.db2.gz WSAKBQSFIINLAV-MFZCXPBHSA-N 1 0 349.391 -1.558 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1=O ZINC001022844279 668404370 /nfs/dbraw/zinc/40/43/70/668404370.db2.gz WSAKBQSFIINLAV-XTLVZITESA-N 1 0 349.391 -1.558 20 0 EAADRO 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ZINC001022851611 668404805 /nfs/dbraw/zinc/40/48/05/668404805.db2.gz QKRZYRNVRTXGBX-AOOOYVTPSA-N 1 0 335.368 -2.376 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC001022858140 668404820 /nfs/dbraw/zinc/40/48/20/668404820.db2.gz BRGYHDDUPSQVAJ-TXEJJXNPSA-N 1 0 334.380 -1.249 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001022858996 668405300 /nfs/dbraw/zinc/40/53/00/668405300.db2.gz VXQQPTIDQPSLNU-PHIMTYICSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1O)C(F)F ZINC001022859129 668405321 /nfs/dbraw/zinc/40/53/21/668405321.db2.gz RXRVLCGNDNZSEG-PXYQLOIISA-N 1 0 345.346 -1.197 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1O)C(F)F ZINC001022859132 668405240 /nfs/dbraw/zinc/40/52/40/668405240.db2.gz RXRVLCGNDNZSEG-WBYXNYCFSA-N 1 0 345.346 -1.197 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001022859161 668405281 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CZZFSGFEAVDANY-YIZRAAEISA-N 1 0 337.336 -2.420 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022861784 668405783 /nfs/dbraw/zinc/40/57/83/668405783.db2.gz DTQDYPLZLLNSED-AOOOYVTPSA-N 1 0 338.368 -2.200 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001022861785 668405821 /nfs/dbraw/zinc/40/58/21/668405821.db2.gz DUCGFQSOOJHMQH-AXFHLTTASA-N 1 0 337.380 -1.604 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001022861786 668405766 /nfs/dbraw/zinc/40/57/66/668405766.db2.gz DUCGFQSOOJHMQH-OUAUKWLOSA-N 1 0 337.380 -1.604 20 0 EAADRO CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001022861807 668405712 /nfs/dbraw/zinc/40/57/12/668405712.db2.gz GBAVTXFFVKSDBQ-PHIMTYICSA-N 1 0 349.395 -1.105 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001022861834 668405817 /nfs/dbraw/zinc/40/58/17/668405817.db2.gz IBPGAHBIDXLCBF-AOOOYVTPSA-N 1 0 335.368 -1.413 20 0 EAADRO 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ZINC001022861997 668405889 /nfs/dbraw/zinc/40/58/89/668405889.db2.gz OMBSZYBHMYSPCE-AOOOYVTPSA-N 1 0 335.368 -1.413 20 0 EAADRO CCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)n1C ZINC001022862034 668405885 /nfs/dbraw/zinc/40/58/85/668405885.db2.gz QLFQNHFKYVJYCO-AOOOYVTPSA-N 1 0 349.395 -1.334 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001022862039 668405786 /nfs/dbraw/zinc/40/57/86/668405786.db2.gz QXRBJAJKMZXFFO-AXFHLTTASA-N 1 0 337.380 -1.604 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001022862040 668405921 /nfs/dbraw/zinc/40/59/21/668405921.db2.gz QXRBJAJKMZXFFO-OUAUKWLOSA-N 1 0 337.380 -1.604 20 0 EAADRO COc1nccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001022862053 668405659 /nfs/dbraw/zinc/40/56/59/668405659.db2.gz RQEVDJQPCXXYFR-PHIMTYICSA-N 1 0 348.363 -1.226 20 0 EAADRO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)on1 ZINC001022862058 668405799 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ZINC001022929497 668415442 /nfs/dbraw/zinc/41/54/42/668415442.db2.gz DDZWUJYUWXSUSC-AOOOYVTPSA-N 1 0 333.352 -1.042 20 0 EAADRO COc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)cn1 ZINC001022929597 668415413 /nfs/dbraw/zinc/41/54/13/668415413.db2.gz IMRNSNFBXMXPQR-PHIMTYICSA-N 1 0 348.363 -1.113 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001022932738 668416035 /nfs/dbraw/zinc/41/60/35/668416035.db2.gz DGVZCKCLAVSVSL-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001022932780 668415880 /nfs/dbraw/zinc/41/58/80/668415880.db2.gz FTRIBGWYDNCYOB-AOOOYVTPSA-N 1 0 348.363 -1.113 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C2)nn1 ZINC001022932862 668415969 /nfs/dbraw/zinc/41/59/69/668415969.db2.gz IWRSSHGFYRNIDR-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001022932874 668416025 /nfs/dbraw/zinc/41/60/25/668416025.db2.gz JNGDLZQIJLEWRA-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022932939 668415837 /nfs/dbraw/zinc/41/58/37/668415837.db2.gz MFGZGJCPRVJFHV-PHIMTYICSA-N 1 0 349.395 -1.155 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001022933038 668416119 /nfs/dbraw/zinc/41/61/19/668416119.db2.gz PIGWTLYBSNJBGM-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1)C(N)=O ZINC001022933136 668415831 /nfs/dbraw/zinc/41/58/31/668415831.db2.gz TWKKBPVFYQHGKD-HLTSFMKQSA-N 1 0 325.369 -1.573 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1)C(N)=O ZINC001022933137 668415942 /nfs/dbraw/zinc/41/59/42/668415942.db2.gz TWKKBPVFYQHGKD-XHNCKOQMSA-N 1 0 325.369 -1.573 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022933176 668415896 /nfs/dbraw/zinc/41/58/96/668415896.db2.gz VAYSOMGJMUPEND-AEJSXWLSSA-N 1 0 337.380 -1.558 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022933177 668416011 /nfs/dbraw/zinc/41/60/11/668416011.db2.gz VAYSOMGJMUPEND-KXUCPTDWSA-N 1 0 337.380 -1.558 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1)C(N)=O ZINC001022933185 668416057 /nfs/dbraw/zinc/41/60/57/668416057.db2.gz VJVYKPQMCQRZHJ-AEJSXWLSSA-N 1 0 339.396 -1.183 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1)C(N)=O ZINC001022933186 668415925 /nfs/dbraw/zinc/41/59/25/668415925.db2.gz VJVYKPQMCQRZHJ-KXUCPTDWSA-N 1 0 339.396 -1.183 20 0 EAADRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001022935235 668416096 /nfs/dbraw/zinc/41/60/96/668416096.db2.gz MOERPRJVVWRUOU-DTORHVGOSA-N 1 0 333.352 -1.042 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(=O)NC3=O)C2)C1=O ZINC001022937575 668415997 /nfs/dbraw/zinc/41/59/97/668415997.db2.gz CWYLQVHTDIJQLQ-AXFHLTTASA-N 1 0 337.380 -1.604 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(=O)NC3=O)C2)C1=O ZINC001022937576 668415954 /nfs/dbraw/zinc/41/59/54/668415954.db2.gz CWYLQVHTDIJQLQ-OUAUKWLOSA-N 1 0 337.380 -1.604 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1)C(N)=O ZINC001022937722 668415802 /nfs/dbraw/zinc/41/58/02/668415802.db2.gz JUSGBVCSQRZONG-AEJSXWLSSA-N 1 0 325.369 -1.571 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1)C(N)=O ZINC001022937723 668415913 /nfs/dbraw/zinc/41/59/13/668415913.db2.gz JUSGBVCSQRZONG-KXUCPTDWSA-N 1 0 325.369 -1.571 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022937823 668416639 /nfs/dbraw/zinc/41/66/39/668416639.db2.gz PCRPRCCSYKYMIO-PHIMTYICSA-N 1 0 335.368 -1.543 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(=O)NC3=O)C2)nn1 ZINC001022937838 668416716 /nfs/dbraw/zinc/41/67/16/668416716.db2.gz PKJGCMHDILRKDC-PHIMTYICSA-N 1 0 349.395 -1.023 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001022938708 668416744 /nfs/dbraw/zinc/41/67/44/668416744.db2.gz FQRHLJZFBNBRJA-PHIMTYICSA-N 1 0 349.395 -1.023 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001022938739 668416736 /nfs/dbraw/zinc/41/67/36/668416736.db2.gz HFXYPEKHHCSPJJ-AOOOYVTPSA-N 1 0 335.368 -1.506 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(=O)NC3=O)C2)nn1 ZINC001022938806 668416612 /nfs/dbraw/zinc/41/66/12/668416612.db2.gz JNFNGWPPVRGKIA-AOOOYVTPSA-N 1 0 335.368 -1.506 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(=O)NC3=O)C2)[nH]1 ZINC001022938932 668416617 /nfs/dbraw/zinc/41/66/17/668416617.db2.gz OITPKCTXDWTXGV-AOOOYVTPSA-N 1 0 335.368 -1.208 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022938977 668416728 /nfs/dbraw/zinc/41/67/28/668416728.db2.gz PWDGRVQQGYWBDQ-AXFHLTTASA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022938978 668416523 /nfs/dbraw/zinc/41/65/23/668416523.db2.gz PWDGRVQQGYWBDQ-OUAUKWLOSA-N 1 0 337.380 -1.556 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001022939127 668416697 /nfs/dbraw/zinc/41/66/97/668416697.db2.gz VJFVWRSWSHTLEZ-AOOOYVTPSA-N 1 0 335.368 -1.506 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001022939181 668416398 /nfs/dbraw/zinc/41/63/98/668416398.db2.gz XOUMEHZJANVOCS-AOOOYVTPSA-N 1 0 335.368 -1.506 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001022939193 668416488 /nfs/dbraw/zinc/41/64/88/668416488.db2.gz XXNIPFFGLCXVLM-PHIMTYICSA-N 1 0 349.395 -1.023 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022939258 668416766 /nfs/dbraw/zinc/41/67/66/668416766.db2.gz ZZYYEVBTIBTGEF-PHIMTYICSA-N 1 0 337.380 -1.603 20 0 EAADRO Cc1conc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022941498 668416430 /nfs/dbraw/zinc/41/64/30/668416430.db2.gz ZXJLWASYELJASU-PHIMTYICSA-N 1 0 335.364 -1.208 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1)C(N)=O ZINC001022942191 668416756 /nfs/dbraw/zinc/41/67/56/668416756.db2.gz IXUJCPHHHYADBT-GARJFASQSA-N 1 0 336.396 -1.508 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1)C(N)=O ZINC001022942192 668416416 /nfs/dbraw/zinc/41/64/16/668416416.db2.gz IXUJCPHHHYADBT-MXWKQRLJSA-N 1 0 336.396 -1.508 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022942781 668416730 /nfs/dbraw/zinc/41/67/30/668416730.db2.gz WHVUPGRLWATZTP-GRYCIOLGSA-N 1 0 348.407 -1.494 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022942782 668416755 /nfs/dbraw/zinc/41/67/55/668416755.db2.gz WHVUPGRLWATZTP-TUAOUCFPSA-N 1 0 348.407 -1.494 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cn([C@@H]2CCOC2)nn1 ZINC001022949841 668417282 /nfs/dbraw/zinc/41/72/82/668417282.db2.gz YZOFDPKKHLOPND-KXNHARMFSA-N 1 0 334.380 -1.022 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cn([C@H]2CCOC2)nn1 ZINC001022949842 668417331 /nfs/dbraw/zinc/41/73/31/668417331.db2.gz YZOFDPKKHLOPND-USZNOCQGSA-N 1 0 334.380 -1.022 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cn([C@H]2CCOC2)nn1 ZINC001022949843 668417336 /nfs/dbraw/zinc/41/73/36/668417336.db2.gz YZOFDPKKHLOPND-WHOHXGKFSA-N 1 0 334.380 -1.022 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cn([C@@H]2CCOC2)nn1 ZINC001022949844 668417214 /nfs/dbraw/zinc/41/72/14/668417214.db2.gz YZOFDPKKHLOPND-WRWGMCAJSA-N 1 0 334.380 -1.022 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1cnccn1 ZINC001022950976 668417866 /nfs/dbraw/zinc/41/78/66/668417866.db2.gz BRIGXFGWPJOXRN-CHWSQXEVSA-N 1 0 331.376 -1.126 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001022951622 668418207 /nfs/dbraw/zinc/41/82/07/668418207.db2.gz CDQWRHUTKQMZPS-NNYUYHANSA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001022951623 668418364 /nfs/dbraw/zinc/41/83/64/668418364.db2.gz CDQWRHUTKQMZPS-WISYIIOYSA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001022951624 668418127 /nfs/dbraw/zinc/41/81/27/668418127.db2.gz CDQWRHUTKQMZPS-WYUUTHIRSA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001022951625 668418278 /nfs/dbraw/zinc/41/82/78/668418278.db2.gz CDQWRHUTKQMZPS-YFKTTZPYSA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001022951789 668418115 /nfs/dbraw/zinc/41/81/15/668418115.db2.gz HKMOFPSUBMSLPJ-GARJFASQSA-N 1 0 336.396 -1.286 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001022951790 668418222 /nfs/dbraw/zinc/41/82/22/668418222.db2.gz HKMOFPSUBMSLPJ-MXWKQRLJSA-N 1 0 336.396 -1.286 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022952966 668418184 /nfs/dbraw/zinc/41/81/84/668418184.db2.gz ASMDNRZOGKOBMC-AOOOYVTPSA-N 1 0 335.368 -2.458 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001022953312 668418056 /nfs/dbraw/zinc/41/80/56/668418056.db2.gz NPVZYHOWXBRDLW-AOOOYVTPSA-N 1 0 332.368 -1.094 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)CCO1 ZINC001022955701 668418672 /nfs/dbraw/zinc/41/86/72/668418672.db2.gz FIKJUUUJRKPPRA-SDDRHHMPSA-N 1 0 336.396 -1.169 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)CCO1 ZINC001022955702 668418714 /nfs/dbraw/zinc/41/87/14/668418714.db2.gz FIKJUUUJRKPPRA-UTUOFQBUSA-N 1 0 336.396 -1.169 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001022956299 668418809 /nfs/dbraw/zinc/41/88/09/668418809.db2.gz ZYSMHDBFJBXNGV-PHIMTYICSA-N 1 0 342.425 -1.381 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)n(C)c1=O 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RULGFUZXEKABOQ-PHIMTYICSA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001022968812 668419634 /nfs/dbraw/zinc/41/96/34/668419634.db2.gz UOEVDVPPZDGOGH-AOOOYVTPSA-N 1 0 335.368 -1.554 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001022968895 668419925 /nfs/dbraw/zinc/41/99/25/668419925.db2.gz XBKDQXKLUZKDIN-AOOOYVTPSA-N 1 0 335.368 -1.554 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1)C(N)=O ZINC001022968904 668419701 /nfs/dbraw/zinc/41/97/01/668419701.db2.gz XIDKMOSUVROCON-AEJSXWLSSA-N 1 0 325.369 -1.619 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1)C(N)=O ZINC001022968905 668419968 /nfs/dbraw/zinc/41/99/68/668419968.db2.gz XIDKMOSUVROCON-KXUCPTDWSA-N 1 0 325.369 -1.619 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001022968916 668419771 /nfs/dbraw/zinc/41/97/71/668419771.db2.gz XWRKINUZLFBGKP-AOOOYVTPSA-N 1 0 335.368 -1.554 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1=O ZINC001022968949 668419660 /nfs/dbraw/zinc/41/96/60/668419660.db2.gz ZJYCDAZPIWNRRX-PHIMTYICSA-N 1 0 335.368 -1.591 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022969705 668420275 /nfs/dbraw/zinc/42/02/75/668420275.db2.gz JBEDPWPTKOTDOF-LYFYHCNISA-N 1 0 325.325 -1.379 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022969706 668420536 /nfs/dbraw/zinc/42/05/36/668420536.db2.gz JBEDPWPTKOTDOF-QYNIQEEDSA-N 1 0 325.325 -1.379 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022969762 668420361 /nfs/dbraw/zinc/42/03/61/668420361.db2.gz KVTLJPNWGKFBPD-GJMOJQLCSA-N 1 0 337.336 -1.365 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022969763 668419731 /nfs/dbraw/zinc/41/97/31/668419731.db2.gz KVTLJPNWGKFBPD-RNJXMRFFSA-N 1 0 337.336 -1.365 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1)N1CCC1 ZINC001022970036 668419621 /nfs/dbraw/zinc/41/96/21/668419621.db2.gz XAENAOQRVQANRW-AOOOYVTPSA-N 1 0 345.363 -1.500 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1=O ZINC001022973285 668420263 /nfs/dbraw/zinc/42/02/63/668420263.db2.gz GNROCBUKBMKLCE-AEJSXWLSSA-N 1 0 345.363 -1.501 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1=O ZINC001022973286 668420324 /nfs/dbraw/zinc/42/03/24/668420324.db2.gz GNROCBUKBMKLCE-KXUCPTDWSA-N 1 0 345.363 -1.501 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001022973393 668420317 /nfs/dbraw/zinc/42/03/17/668420317.db2.gz JIPVESAMABTYPL-AOOOYVTPSA-N 1 0 343.351 -1.440 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001022973423 668420496 /nfs/dbraw/zinc/42/04/96/668420496.db2.gz KJJVZTGPZDSYPX-AEJSXWLSSA-N 1 0 345.363 -1.453 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001022973424 668420510 /nfs/dbraw/zinc/42/05/10/668420510.db2.gz KJJVZTGPZDSYPX-KXUCPTDWSA-N 1 0 345.363 -1.453 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001022973494 668420379 /nfs/dbraw/zinc/42/03/79/668420379.db2.gz MPOLGLUUOMAHAN-HRDYMLBCSA-N 1 0 333.352 -1.468 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001022973495 668420243 /nfs/dbraw/zinc/42/02/43/668420243.db2.gz MPOLGLUUOMAHAN-YIZRAAEISA-N 1 0 333.352 -1.468 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001022973637 668420483 /nfs/dbraw/zinc/42/04/83/668420483.db2.gz SDVXGHKHLRRHDB-HRDYMLBCSA-N 1 0 331.336 -1.844 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001022973638 668420993 /nfs/dbraw/zinc/42/09/93/668420993.db2.gz SDVXGHKHLRRHDB-YIZRAAEISA-N 1 0 331.336 -1.844 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001022973712 668420996 /nfs/dbraw/zinc/42/09/96/668420996.db2.gz VOFHWDYFNVDYDJ-DTORHVGOSA-N 1 0 343.351 -1.403 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001022976437 668421018 /nfs/dbraw/zinc/42/10/18/668421018.db2.gz TZVSJYNXVQIRDR-GRYCIOLGSA-N 1 0 335.364 -1.422 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001022976438 668421027 /nfs/dbraw/zinc/42/10/27/668421027.db2.gz TZVSJYNXVQIRDR-IJLUTSLNSA-N 1 0 335.364 -1.422 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001022977364 668422413 /nfs/dbraw/zinc/42/24/13/668422413.db2.gz HKXFEVJSNPZDQU-VXGBXAGGSA-N 1 0 325.365 -1.342 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)CC[N@@H+]1C ZINC001022977440 668421403 /nfs/dbraw/zinc/42/14/03/668421403.db2.gz KPOKEUGLEGJXAW-FDYHWXHSSA-N 1 0 339.392 -1.097 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)CC1 ZINC001022977514 668421442 /nfs/dbraw/zinc/42/14/42/668421442.db2.gz NKSWVOVRFYPOCR-CHWSQXEVSA-N 1 0 339.392 -1.096 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 ZINC001022977533 668421500 /nfs/dbraw/zinc/42/15/00/668421500.db2.gz OMXFFTZSBKHBDG-IJLUTSLNSA-N 1 0 325.365 -1.486 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 ZINC001022977534 668421372 /nfs/dbraw/zinc/42/13/72/668421372.db2.gz OMXFFTZSBKHBDG-QJPTWQEYSA-N 1 0 325.365 -1.486 20 0 EAADRO Cn1cncc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022978166 668421511 /nfs/dbraw/zinc/42/15/11/668421511.db2.gz SFYSYCODLLLVGS-TXEJJXNPSA-N 1 0 348.407 -1.842 20 0 EAADRO Cn1cncc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022978254 668421354 /nfs/dbraw/zinc/42/13/54/668421354.db2.gz WVPOFWGYZUFLLP-PHIMTYICSA-N 1 0 334.380 -1.249 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 ZINC001022978350 668421495 /nfs/dbraw/zinc/42/14/95/668421495.db2.gz AUFNMLCQGVBHSN-JHJVBQTASA-N 1 0 339.392 -1.096 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 ZINC001022978351 668421540 /nfs/dbraw/zinc/42/15/40/668421540.db2.gz AUFNMLCQGVBHSN-YNEHKIRRSA-N 1 0 339.392 -1.096 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1)[NH+](C)C ZINC001022978401 668421492 /nfs/dbraw/zinc/42/14/92/668421492.db2.gz CXYHIUVRCQRTKN-GRYCIOLGSA-N 1 0 327.381 -1.097 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001022978736 668421930 /nfs/dbraw/zinc/42/19/30/668421930.db2.gz RYINOCRCPLZDEG-GRYCIOLGSA-N 1 0 325.365 -1.343 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001022978737 668421881 /nfs/dbraw/zinc/42/18/81/668421881.db2.gz RYINOCRCPLZDEG-IJLUTSLNSA-N 1 0 325.365 -1.343 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1)C1CC1 ZINC001022978822 668421887 /nfs/dbraw/zinc/42/18/87/668421887.db2.gz WJPDMBOADSEKSJ-BZPMIXESSA-N 1 0 339.392 -1.097 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1)C1CC1 ZINC001022978823 668421829 /nfs/dbraw/zinc/42/18/29/668421829.db2.gz WJPDMBOADSEKSJ-YRGRVCCFSA-N 1 0 339.392 -1.097 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1)[NH+](C)C ZINC001022979476 668422431 /nfs/dbraw/zinc/42/24/31/668422431.db2.gz CXYHIUVRCQRTKN-IJLUTSLNSA-N 1 0 327.381 -1.097 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)C1=COCCO1 ZINC001022979477 668422393 /nfs/dbraw/zinc/42/23/93/668422393.db2.gz CYKDIVVDBXMMAM-VXGBXAGGSA-N 1 0 337.376 -1.342 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 ZINC001022979727 668422225 /nfs/dbraw/zinc/42/22/25/668422225.db2.gz PEHOCSSHGFJNOV-JHJVBQTASA-N 1 0 339.392 -1.096 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 ZINC001022979728 668422377 /nfs/dbraw/zinc/42/23/77/668422377.db2.gz PEHOCSSHGFJNOV-YNEHKIRRSA-N 1 0 339.392 -1.096 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001022980652 668422716 /nfs/dbraw/zinc/42/27/16/668422716.db2.gz FEGWXNDXVCYFHN-HZSPNIEDSA-N 1 0 334.376 -1.284 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001022980653 668422746 /nfs/dbraw/zinc/42/27/46/668422746.db2.gz FEGWXNDXVCYFHN-MGPQQGTHSA-N 1 0 334.376 -1.284 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1)[NH+](C)C ZINC001022980704 668422895 /nfs/dbraw/zinc/42/28/95/668422895.db2.gz HHVJIAXHBIIPPG-HZSPNIEDSA-N 1 0 336.392 -1.038 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1)[NH+](C)C ZINC001022980705 668422947 /nfs/dbraw/zinc/42/29/47/668422947.db2.gz HHVJIAXHBIIPPG-MGPQQGTHSA-N 1 0 336.392 -1.038 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001022980936 668423188 /nfs/dbraw/zinc/42/31/88/668423188.db2.gz QHDDCXAFIAUOEH-BPLDGKMQSA-N 1 0 348.403 -1.037 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001022980937 668423111 /nfs/dbraw/zinc/42/31/11/668423111.db2.gz QHDDCXAFIAUOEH-NWANDNLSSA-N 1 0 348.403 -1.037 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001022981059 668424341 /nfs/dbraw/zinc/42/43/41/668424341.db2.gz WTLHVSPBFVCCHX-ZIAGYGMSSA-N 1 0 346.387 -1.283 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001022981102 668424180 /nfs/dbraw/zinc/42/41/80/668424180.db2.gz YKMOGABGENCWOO-HUUCEWRRSA-N 1 0 348.403 -1.037 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1)C1CC1 ZINC001022981863 668423154 /nfs/dbraw/zinc/42/31/54/668423154.db2.gz HPPCTFBYRVCNPV-KFWWJZLASA-N 1 0 348.403 -1.038 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1)C1CC1 ZINC001022981864 668423427 /nfs/dbraw/zinc/42/34/27/668423427.db2.gz HPPCTFBYRVCNPV-RBSFLKMASA-N 1 0 348.403 -1.038 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001022982060 668423099 /nfs/dbraw/zinc/42/30/99/668423099.db2.gz QLWIAGFOPOQFAE-BPLDGKMQSA-N 1 0 348.403 -1.037 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001022982061 668423768 /nfs/dbraw/zinc/42/37/68/668423768.db2.gz QLWIAGFOPOQFAE-NWANDNLSSA-N 1 0 348.403 -1.037 20 0 EAADRO CCn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)c1 ZINC001022982600 668423725 /nfs/dbraw/zinc/42/37/25/668423725.db2.gz QCMFPPKJZBPQLG-TXEJJXNPSA-N 1 0 348.407 -1.288 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1)[NH+](C)C ZINC001022982840 668423864 /nfs/dbraw/zinc/42/38/64/668423864.db2.gz BOXDWGDDSGJAAG-GRYCIOLGSA-N 1 0 337.380 -1.176 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1)[NH+](C)C ZINC001022982841 668423823 /nfs/dbraw/zinc/42/38/23/668423823.db2.gz BOXDWGDDSGJAAG-IJLUTSLNSA-N 1 0 337.380 -1.176 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001022982884 668423832 /nfs/dbraw/zinc/42/38/32/668423832.db2.gz DRHTXVJUZFQRDD-ZIAGYGMSSA-N 1 0 334.376 -1.283 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)CC[N@@H+]1C ZINC001022982918 668423744 /nfs/dbraw/zinc/42/37/44/668423744.db2.gz FTZVWZGVHYDCQB-NMFUWQPSSA-N 1 0 348.403 -1.038 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001022983041 668423703 /nfs/dbraw/zinc/42/37/03/668423703.db2.gz KVPJWEMZOWRNOQ-CHWSQXEVSA-N 1 0 349.391 -1.175 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001022983075 668423710 /nfs/dbraw/zinc/42/37/10/668423710.db2.gz MMRQISIUNSAVAH-VXGBXAGGSA-N 1 0 347.375 -1.421 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001022983132 668423731 /nfs/dbraw/zinc/42/37/31/668423731.db2.gz OUQDADFNHSNULA-BFHYXJOUSA-N 1 0 334.376 -1.427 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001022983133 668423712 /nfs/dbraw/zinc/42/37/12/668423712.db2.gz OUQDADFNHSNULA-MGPQQGTHSA-N 1 0 334.376 -1.427 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)CCC1 ZINC001022983174 668423799 /nfs/dbraw/zinc/42/37/99/668423799.db2.gz QQHLALKVIITJCX-VXGBXAGGSA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001022983355 668424318 /nfs/dbraw/zinc/42/43/18/668424318.db2.gz ZMOSZSKXXMFRGB-CYZMBNFOSA-N 1 0 349.391 -1.175 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001022983356 668424316 /nfs/dbraw/zinc/42/43/16/668424316.db2.gz ZMOSZSKXXMFRGB-RAIGVLPGSA-N 1 0 349.391 -1.175 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001022983989 668424343 /nfs/dbraw/zinc/42/43/43/668424343.db2.gz FOCQJDDUBQMBLI-CYZMBNFOSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001022983990 668424328 /nfs/dbraw/zinc/42/43/28/668424328.db2.gz FOCQJDDUBQMBLI-RAIGVLPGSA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1)C1CCC1 ZINC001022984041 668424322 /nfs/dbraw/zinc/42/43/22/668424322.db2.gz HWHHQFZCHWTPSB-CHWSQXEVSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001022984197 668424685 /nfs/dbraw/zinc/42/46/85/668424685.db2.gz OKIRGVSIBPTQBL-CYZMBNFOSA-N 1 0 349.391 -1.175 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001022984198 668424770 /nfs/dbraw/zinc/42/47/70/668424770.db2.gz OKIRGVSIBPTQBL-RAIGVLPGSA-N 1 0 349.391 -1.175 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1)C1CC1 ZINC001022984322 668424606 /nfs/dbraw/zinc/42/46/06/668424606.db2.gz UVFYTAYQVLCRTK-BZPMIXESSA-N 1 0 349.391 -1.176 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1)C1CC1 ZINC001022984323 668424631 /nfs/dbraw/zinc/42/46/31/668424631.db2.gz UVFYTAYQVLCRTK-YRGRVCCFSA-N 1 0 349.391 -1.176 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)CC[N@@H+]1C ZINC001022984348 668424722 /nfs/dbraw/zinc/42/47/22/668424722.db2.gz WBACRARRBBARRG-FPQZTECRSA-N 1 0 349.391 -1.176 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001022984370 668424679 /nfs/dbraw/zinc/42/46/79/668424679.db2.gz WTZYAZGUMMYYKS-VXGBXAGGSA-N 1 0 335.364 -1.421 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001022984391 668424662 /nfs/dbraw/zinc/42/46/62/668424662.db2.gz XJOPQZBUZYOCDZ-FRRDWIJNSA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001022984392 668424528 /nfs/dbraw/zinc/42/45/28/668424528.db2.gz XJOPQZBUZYOCDZ-JHJVBQTASA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001022984432 668424539 /nfs/dbraw/zinc/42/45/39/668424539.db2.gz YTCKRGTVDLXLEA-MVWJERBFSA-N 1 0 335.364 -1.565 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001022984433 668424714 /nfs/dbraw/zinc/42/47/14/668424714.db2.gz YTCKRGTVDLXLEA-YUSALJHKSA-N 1 0 335.364 -1.565 20 0 EAADRO Cn1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)c1=O ZINC001022988222 668424757 /nfs/dbraw/zinc/42/47/57/668424757.db2.gz DVCIEHBVEIDMAU-PHIMTYICSA-N 1 0 347.375 -1.213 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)c3cccn(C)c3=O)C2)nc1=O ZINC001022989242 668424802 /nfs/dbraw/zinc/42/48/02/668424802.db2.gz AXDXTAJDHNFKQP-AOOOYVTPSA-N 1 0 332.364 -1.142 20 0 EAADRO Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc(=O)n(C)c1=O ZINC001022995161 668426075 /nfs/dbraw/zinc/42/60/75/668426075.db2.gz KKPSSALELZSPGA-UMNHJUIQSA-N 1 0 349.391 -1.901 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022995266 668425713 /nfs/dbraw/zinc/42/57/13/668425713.db2.gz NGIARNQWQPDYOA-TUAOUCFPSA-N 1 0 336.396 -1.144 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)[C@@H]1CCC(=O)N1 ZINC001022995964 668425731 /nfs/dbraw/zinc/42/57/31/668425731.db2.gz HAFSBXQVUJZGIH-TUAOUCFPSA-N 1 0 344.437 -1.463 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)CCO1 ZINC001022995966 668425685 /nfs/dbraw/zinc/42/56/85/668425685.db2.gz HARVCWTYYVNHNX-NDBYEHHHSA-N 1 0 338.408 -1.251 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)CCO1 ZINC001022995969 668425629 /nfs/dbraw/zinc/42/56/29/668425629.db2.gz HARVCWTYYVNHNX-RVMXOQNASA-N 1 0 338.408 -1.251 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCC(=O)N1 ZINC001022996011 668425690 /nfs/dbraw/zinc/42/56/90/668425690.db2.gz HPIOTQKIGMLPDB-WYUUTHIRSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCC(=O)N1 ZINC001022996014 668425692 /nfs/dbraw/zinc/42/56/92/668425692.db2.gz HPIOTQKIGMLPDB-YFKTTZPYSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1CCC(=O)N1 ZINC001022996057 668425695 /nfs/dbraw/zinc/42/56/95/668425695.db2.gz IVGJKIWFKFYHCZ-AXFHLTTASA-N 1 0 334.380 -1.176 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1)N1CCNC(=O)C1 ZINC001022996454 668425682 /nfs/dbraw/zinc/42/56/82/668425682.db2.gz NWSHLGQPPMMRCR-AXFHLTTASA-N 1 0 337.380 -2.540 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)n1 ZINC001023002639 668426469 /nfs/dbraw/zinc/42/64/69/668426469.db2.gz PMWJJCRESUGSFM-BETUJISGSA-N 1 0 348.407 -1.186 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001023002765 668426488 /nfs/dbraw/zinc/42/64/88/668426488.db2.gz WAAXEUIMNBLIQR-PHIMTYICSA-N 1 0 347.379 -1.589 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001023002849 668426472 /nfs/dbraw/zinc/42/64/72/668426472.db2.gz ZHBXWHZQNOORJI-GRYCIOLGSA-N 1 0 347.375 -1.406 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001023002850 668426529 /nfs/dbraw/zinc/42/65/29/668426529.db2.gz ZHBXWHZQNOORJI-TUAOUCFPSA-N 1 0 347.375 -1.406 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001023006409 668427019 /nfs/dbraw/zinc/42/70/19/668427019.db2.gz BHANQFYLOZTASR-GMTAPVOTSA-N 1 0 325.373 -2.299 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001023006411 668426986 /nfs/dbraw/zinc/42/69/86/668426986.db2.gz BHANQFYLOZTASR-OUAUKWLOSA-N 1 0 325.373 -2.299 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001023007035 668427653 /nfs/dbraw/zinc/42/76/53/668427653.db2.gz LELLRWIQOISCKR-NQBHXWOUSA-N 1 0 339.400 -2.053 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001023007037 668427621 /nfs/dbraw/zinc/42/76/21/668427621.db2.gz LELLRWIQOISCKR-WZRBSPASSA-N 1 0 339.400 -2.053 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001023007113 668427834 /nfs/dbraw/zinc/42/78/34/668427834.db2.gz MLZCLCIQXGPNFH-VXGBXAGGSA-N 1 0 349.395 -2.011 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023007372 668428306 /nfs/dbraw/zinc/42/83/06/668428306.db2.gz PKHFHWJFCVFGNF-GHMZBOCLSA-N 1 0 335.368 -2.543 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001023007588 668428536 /nfs/dbraw/zinc/42/85/36/668428536.db2.gz SONNKWYLKMABHM-IJLUTSLNSA-N 1 0 337.384 -2.297 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001023007598 668428675 /nfs/dbraw/zinc/42/86/75/668428675.db2.gz SONNKWYLKMABHM-QJPTWQEYSA-N 1 0 337.384 -2.297 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1O ZINC001023007728 668428654 /nfs/dbraw/zinc/42/86/54/668428654.db2.gz VKKFIBLOIWUKQH-JMSVASOKSA-N 1 0 349.395 -2.153 20 0 EAADRO Cn1ccnc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001023007743 668428425 /nfs/dbraw/zinc/42/84/25/668428425.db2.gz VUQBXNPTAIFMGB-GHMZBOCLSA-N 1 0 348.367 -2.273 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)CC1 ZINC001023008582 668427443 /nfs/dbraw/zinc/42/74/43/668427443.db2.gz AVFFRVXPYDSKLV-VXGBXAGGSA-N 1 0 337.384 -2.297 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001023009199 668427989 /nfs/dbraw/zinc/42/79/89/668427989.db2.gz BHUHDMWBRLWUJM-NQBHXWOUSA-N 1 0 337.384 -2.299 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001023009200 668427905 /nfs/dbraw/zinc/42/79/05/668427905.db2.gz BHUHDMWBRLWUJM-WZRBSPASSA-N 1 0 337.384 -2.299 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023009343 668427979 /nfs/dbraw/zinc/42/79/79/668427979.db2.gz PNTDLDKWUVXVAV-JHJVBQTASA-N 1 0 349.395 -2.297 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023009344 668427918 /nfs/dbraw/zinc/42/79/18/668427918.db2.gz PNTDLDKWUVXVAV-YNEHKIRRSA-N 1 0 349.395 -2.297 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)CCC1 ZINC001023009914 668429027 /nfs/dbraw/zinc/42/90/27/668429027.db2.gz PDYYFWIKDBAGAI-GHMZBOCLSA-N 1 0 337.384 -2.155 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001023010339 668429491 /nfs/dbraw/zinc/42/94/91/668429491.db2.gz ZFXXDEAZVIKUCW-IJLUTSLNSA-N 1 0 337.384 -2.297 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001023010340 668429604 /nfs/dbraw/zinc/42/96/04/668429604.db2.gz ZFXXDEAZVIKUCW-QJPTWQEYSA-N 1 0 337.384 -2.297 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001023011248 668429552 /nfs/dbraw/zinc/42/95/52/668429552.db2.gz GEVBVFTWJDKSKR-GRYCIOLGSA-N 1 0 337.384 -2.155 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001023011249 668429572 /nfs/dbraw/zinc/42/95/72/668429572.db2.gz GEVBVFTWJDKSKR-IJLUTSLNSA-N 1 0 337.384 -2.155 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)CC[N@@H+]1C ZINC001023012122 668431289 /nfs/dbraw/zinc/43/12/89/668431289.db2.gz NLVSIAXPZBRPBL-DDHJBXDOSA-N 1 0 337.384 -2.299 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001023012720 668430412 /nfs/dbraw/zinc/43/04/12/668430412.db2.gz ZDMGOEJFHAYJHN-FRRDWIJNSA-N 1 0 338.408 -1.609 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001023012721 668430385 /nfs/dbraw/zinc/43/03/85/668430385.db2.gz ZDMGOEJFHAYJHN-JHJVBQTASA-N 1 0 338.408 -1.609 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1O ZINC001023013409 668431403 /nfs/dbraw/zinc/43/14/03/668431403.db2.gz FIYRKBXSZRBAQK-GHMZBOCLSA-N 1 0 334.340 -2.283 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1)[NH+](C)C ZINC001023018205 668431759 /nfs/dbraw/zinc/43/17/59/668431759.db2.gz JPDUQVHDDHWVRI-FRRDWIJNSA-N 1 0 340.424 -1.363 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1)[NH+](C)C ZINC001023018206 668431931 /nfs/dbraw/zinc/43/19/31/668431931.db2.gz JPDUQVHDDHWVRI-JHJVBQTASA-N 1 0 340.424 -1.363 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3=O)C2)C1 ZINC001023019150 668432402 /nfs/dbraw/zinc/43/24/02/668432402.db2.gz ALLXXDHYTJLWOK-JHJVBQTASA-N 1 0 338.408 -1.752 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3=O)C2)C1 ZINC001023019151 668432339 /nfs/dbraw/zinc/43/23/39/668432339.db2.gz ALLXXDHYTJLWOK-YNEHKIRRSA-N 1 0 338.408 -1.752 20 0 EAADRO O=C(CN1CCCC1=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023019213 668432268 /nfs/dbraw/zinc/43/22/68/668432268.db2.gz DBXZBLCGHVDART-CHWSQXEVSA-N 1 0 338.408 -1.608 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)cn1 ZINC001023020736 668432438 /nfs/dbraw/zinc/43/24/38/668432438.db2.gz KOYYBHNYUWIPRZ-CHWSQXEVSA-N 1 0 333.392 -1.183 20 0 EAADRO Cc1nc[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023024612 668433585 /nfs/dbraw/zinc/43/35/85/668433585.db2.gz BEMVNUFILXSBNQ-TXEJJXNPSA-N 1 0 348.407 -1.544 20 0 EAADRO COc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)cnn1C ZINC001023027907 668434259 /nfs/dbraw/zinc/43/42/59/668434259.db2.gz BTKLAFGICKGGJA-DTORHVGOSA-N 1 0 335.368 -1.099 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023030633 668434888 /nfs/dbraw/zinc/43/48/88/668434888.db2.gz IOZWVHOFJCMQBV-FVCCEPFGSA-N 1 0 336.392 -1.103 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023030636 668434673 /nfs/dbraw/zinc/43/46/73/668434673.db2.gz IOZWVHOFJCMQBV-NDBYEHHHSA-N 1 0 336.392 -1.103 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023030637 668434780 /nfs/dbraw/zinc/43/47/80/668434780.db2.gz IOZWVHOFJCMQBV-RVMXOQNASA-N 1 0 336.392 -1.103 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023030640 668434752 /nfs/dbraw/zinc/43/47/52/668434752.db2.gz IOZWVHOFJCMQBV-WUHRBBMRSA-N 1 0 336.392 -1.103 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001023030817 668434963 /nfs/dbraw/zinc/43/49/63/668434963.db2.gz KZTCOPMLKNDXFK-SDDRHHMPSA-N 1 0 336.396 -1.286 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001023030820 668434844 /nfs/dbraw/zinc/43/48/44/668434844.db2.gz KZTCOPMLKNDXFK-UTUOFQBUSA-N 1 0 336.396 -1.286 20 0 EAADRO CCc1nc[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023036058 668434818 /nfs/dbraw/zinc/43/48/18/668434818.db2.gz UZWAZQJPYKAZNQ-PHIMTYICSA-N 1 0 348.407 -1.219 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncn3C)C2)c(=O)n1C ZINC001023037449 668434766 /nfs/dbraw/zinc/43/47/66/668434766.db2.gz FCHJTXDOWGQWFU-PHIMTYICSA-N 1 0 334.384 -1.544 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001023037456 668435434 /nfs/dbraw/zinc/43/54/34/668435434.db2.gz FIYDXYSVTDFMTN-TXEJJXNPSA-N 1 0 348.411 -1.061 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)c(=O)n1C ZINC001023037535 668435481 /nfs/dbraw/zinc/43/54/81/668435481.db2.gz IEPWGUCKVOCVCG-TXEJJXNPSA-N 1 0 336.396 -1.641 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)nc1=O ZINC001023037822 668435449 /nfs/dbraw/zinc/43/54/49/668435449.db2.gz RLCVJKZFCLVQHN-AXFHLTTASA-N 1 0 336.396 -1.144 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)nc1=O ZINC001023037823 668435392 /nfs/dbraw/zinc/43/53/92/668435392.db2.gz RLCVJKZFCLVQHN-OUAUKWLOSA-N 1 0 336.396 -1.144 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3C)C2)c(=O)n1C ZINC001023037895 668435266 /nfs/dbraw/zinc/43/52/66/668435266.db2.gz UVYSPITWFDWQGN-PHIMTYICSA-N 1 0 334.384 -1.544 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001023037935 668435311 /nfs/dbraw/zinc/43/53/11/668435311.db2.gz VPLVUPHCRBZJGY-TXEJJXNPSA-N 1 0 348.411 -1.061 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)c(=O)n1C ZINC001023037955 668435464 /nfs/dbraw/zinc/43/54/64/668435464.db2.gz WGVPEWFBOQDJCW-PHIMTYICSA-N 1 0 334.384 -1.544 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C2)nn1 ZINC001023040822 668435442 /nfs/dbraw/zinc/43/54/42/668435442.db2.gz AVLQESLLXSFTSP-TXEJJXNPSA-N 1 0 348.411 -1.061 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001023040840 668435471 /nfs/dbraw/zinc/43/54/71/668435471.db2.gz BXCXXAHDWSQACG-FRRDWIJNSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001023040841 668435475 /nfs/dbraw/zinc/43/54/75/668435475.db2.gz BXCXXAHDWSQACG-XQQFMLRXSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001023041008 668435256 /nfs/dbraw/zinc/43/52/56/668435256.db2.gz FIRDGYKHWYKQOF-MBNYWOFBSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001023041009 668435455 /nfs/dbraw/zinc/43/54/55/668435455.db2.gz FIRDGYKHWYKQOF-SCRDCRAPSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001023041130 668435226 /nfs/dbraw/zinc/43/52/26/668435226.db2.gz HPVAGGMUYNAKEP-HZSPNIEDSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001023041131 668435333 /nfs/dbraw/zinc/43/53/33/668435333.db2.gz HPVAGGMUYNAKEP-MJBXVCDLSA-N 1 0 338.408 -1.297 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C2)[nH]1 ZINC001023041207 668435410 /nfs/dbraw/zinc/43/54/10/668435410.db2.gz JFCFZVBPJIBZAL-PHIMTYICSA-N 1 0 334.384 -1.246 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c(=O)n1C ZINC001023041397 668435995 /nfs/dbraw/zinc/43/59/95/668435995.db2.gz KSPBKTHQNCMSPV-GRYCIOLGSA-N 1 0 336.396 -1.594 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c(=O)n1C ZINC001023041401 668435952 /nfs/dbraw/zinc/43/59/52/668435952.db2.gz KSPBKTHQNCMSPV-TUAOUCFPSA-N 1 0 336.396 -1.594 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001023041413 668435961 /nfs/dbraw/zinc/43/59/61/668435961.db2.gz KVUOCQVIFIHNFO-HZSPNIEDSA-N 1 0 336.396 -1.238 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001023041416 668435998 /nfs/dbraw/zinc/43/59/98/668435998.db2.gz KVUOCQVIFIHNFO-MJBXVCDLSA-N 1 0 336.396 -1.238 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001023041699 668435789 /nfs/dbraw/zinc/43/57/89/668435789.db2.gz OQOAFVVNLZNIQX-CRWXNKLISA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001023041700 668435736 /nfs/dbraw/zinc/43/57/36/668435736.db2.gz OQOAFVVNLZNIQX-RFQIPJPRSA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001023041701 668435687 /nfs/dbraw/zinc/43/56/87/668435687.db2.gz OQOAFVVNLZNIQX-RQJABVFESA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001023041702 668435748 /nfs/dbraw/zinc/43/57/48/668435748.db2.gz OQOAFVVNLZNIQX-XJFOESAGSA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001023041738 668435793 /nfs/dbraw/zinc/43/57/93/668435793.db2.gz QOAYLUVYAPGSKG-FRRDWIJNSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001023041739 668435827 /nfs/dbraw/zinc/43/58/27/668435827.db2.gz QOAYLUVYAPGSKG-XQQFMLRXSA-N 1 0 336.396 -1.201 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001023041849 668435957 /nfs/dbraw/zinc/43/59/57/668435957.db2.gz SBHCUXIRWZVDEX-QNWHQSFQSA-N 1 0 326.397 -1.266 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001023041850 668435978 /nfs/dbraw/zinc/43/59/78/668435978.db2.gz SBHCUXIRWZVDEX-RNJOBUHISA-N 1 0 326.397 -1.266 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001023041851 668435920 /nfs/dbraw/zinc/43/59/20/668435920.db2.gz SBHCUXIRWZVDEX-XQHKEYJVSA-N 1 0 326.397 -1.266 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001023041853 668435863 /nfs/dbraw/zinc/43/58/63/668435863.db2.gz SBHCUXIRWZVDEX-YVECIDJPSA-N 1 0 326.397 -1.266 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001023042063 668436006 /nfs/dbraw/zinc/43/60/06/668436006.db2.gz XIPKRVCWSYCATC-MBNYWOFBSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001023042065 668435909 /nfs/dbraw/zinc/43/59/09/668435909.db2.gz XIPKRVCWSYCATC-SCRDCRAPSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001023042082 668435946 /nfs/dbraw/zinc/43/59/46/668435946.db2.gz XUTKEZMGXBCDHE-CRWXNKLISA-N 1 0 338.408 -1.251 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001023042083 668436023 /nfs/dbraw/zinc/43/60/23/668436023.db2.gz XUTKEZMGXBCDHE-RFQIPJPRSA-N 1 0 338.408 -1.251 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001023042084 668435904 /nfs/dbraw/zinc/43/59/04/668435904.db2.gz XUTKEZMGXBCDHE-RQJABVFESA-N 1 0 338.408 -1.251 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001023042086 668436011 /nfs/dbraw/zinc/43/60/11/668436011.db2.gz XUTKEZMGXBCDHE-XJFOESAGSA-N 1 0 338.408 -1.251 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nn3)C2)c(=O)n1C ZINC001023042141 668435939 /nfs/dbraw/zinc/43/59/39/668435939.db2.gz ZFJZRVNLNIUKMR-PHIMTYICSA-N 1 0 334.384 -1.544 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)c(=O)n1C ZINC001023042919 668435812 /nfs/dbraw/zinc/43/58/12/668435812.db2.gz WGZXMGXUKPPDFU-GRYCIOLGSA-N 1 0 336.396 -1.642 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)c(=O)n1C ZINC001023042920 668435992 /nfs/dbraw/zinc/43/59/92/668435992.db2.gz WGZXMGXUKPPDFU-TUAOUCFPSA-N 1 0 336.396 -1.642 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)c(=O)n1C ZINC001023042927 668435707 /nfs/dbraw/zinc/43/57/07/668435707.db2.gz WPXCDFCRQSYXCY-TXEJJXNPSA-N 1 0 334.384 -1.581 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1)N1CCNC(=O)C1 ZINC001023052114 668436286 /nfs/dbraw/zinc/43/62/86/668436286.db2.gz ZVRXKXDEVGCUNO-TXEJJXNPSA-N 1 0 347.375 -1.404 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001023053344 668436778 /nfs/dbraw/zinc/43/67/78/668436778.db2.gz BCSPVRPRXOIPPH-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001023053496 668437051 /nfs/dbraw/zinc/43/70/51/668437051.db2.gz FUQMKSDDJNHKKC-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1)C(N)=O ZINC001023053700 668436969 /nfs/dbraw/zinc/43/69/69/668436969.db2.gz LTUXXYHZROWJTK-AEJSXWLSSA-N 1 0 339.396 -1.183 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1)C(N)=O ZINC001023053711 668437046 /nfs/dbraw/zinc/43/70/46/668437046.db2.gz LTUXXYHZROWJTK-KXUCPTDWSA-N 1 0 339.396 -1.183 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1=O ZINC001023053869 668436841 /nfs/dbraw/zinc/43/68/41/668436841.db2.gz QHKJAVHLINEVAO-AEJSXWLSSA-N 1 0 337.380 -1.558 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC001023053871 668436995 /nfs/dbraw/zinc/43/69/95/668436995.db2.gz QHKJAVHLINEVAO-KXUCPTDWSA-N 1 0 337.380 -1.558 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001023053961 668436806 /nfs/dbraw/zinc/43/68/06/668436806.db2.gz SANCZMIAOYBWQO-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1=O ZINC001023053970 668436838 /nfs/dbraw/zinc/43/68/38/668436838.db2.gz SNIORFWFMOQXJT-PHIMTYICSA-N 1 0 349.395 -1.155 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1)C(N)=O ZINC001023053988 668436751 /nfs/dbraw/zinc/43/67/51/668436751.db2.gz SQEUNNFDQBVKGD-HLTSFMKQSA-N 1 0 325.369 -1.573 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1)C(N)=O ZINC001023053989 668436957 /nfs/dbraw/zinc/43/69/57/668436957.db2.gz SQEUNNFDQBVKGD-XHNCKOQMSA-N 1 0 325.369 -1.573 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C2)nn1 ZINC001023054006 668436986 /nfs/dbraw/zinc/43/69/86/668436986.db2.gz TWKRBZGQNNGUIR-AOOOYVTPSA-N 1 0 349.395 -1.118 20 0 EAADRO Cn1nc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)ccc1=O ZINC001023056349 668436786 /nfs/dbraw/zinc/43/67/86/668436786.db2.gz OVEMDPIBMYTQMB-TXEJJXNPSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)nc1=O ZINC001023056428 668437929 /nfs/dbraw/zinc/43/79/29/668437929.db2.gz SXJBEAAFOPYLGM-DTORHVGOSA-N 1 0 333.352 -1.747 20 0 EAADRO Cn1nc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)ccc1=O ZINC001023058397 668437479 /nfs/dbraw/zinc/43/74/79/668437479.db2.gz CJNYITUYTFCBTK-AOOOYVTPSA-N 1 0 348.363 -1.818 20 0 EAADRO Cn1nc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)ccc1=O ZINC001023058460 668437451 /nfs/dbraw/zinc/43/74/51/668437451.db2.gz GPRRGWMHLPKEDB-PHIMTYICSA-N 1 0 334.380 -1.344 20 0 EAADRO Cn1nc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)ccc1=O ZINC001023058539 668437340 /nfs/dbraw/zinc/43/73/40/668437340.db2.gz LAQBHTBGLWAXFT-PHIMTYICSA-N 1 0 347.375 -1.220 20 0 EAADRO Cn1nc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001023058670 668437413 /nfs/dbraw/zinc/43/74/13/668437413.db2.gz SQWDNIAXPJRHKD-AEJSXWLSSA-N 1 0 333.348 -1.564 20 0 EAADRO Cn1nc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001023058671 668437508 /nfs/dbraw/zinc/43/75/08/668437508.db2.gz SQWDNIAXPJRHKD-KXUCPTDWSA-N 1 0 333.348 -1.564 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC001023059266 668438016 /nfs/dbraw/zinc/43/80/16/668438016.db2.gz NGIOAJVNZXZZQI-BFHYXJOUSA-N 1 0 335.408 -1.087 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC001023059269 668437832 /nfs/dbraw/zinc/43/78/32/668437832.db2.gz NGIOAJVNZXZZQI-MGPQQGTHSA-N 1 0 335.408 -1.087 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023059371 668437786 /nfs/dbraw/zinc/43/77/86/668437786.db2.gz ITOOSPNRBGUJSQ-PHIMTYICSA-N 1 0 335.368 -2.527 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001023059493 668437895 /nfs/dbraw/zinc/43/78/95/668437895.db2.gz LCMSIBSSSSUUAX-PHIMTYICSA-N 1 0 332.368 -1.163 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023060242 668438920 /nfs/dbraw/zinc/43/89/20/668438920.db2.gz NLPNIRSXKPSOOZ-CHWSQXEVSA-N 1 0 333.392 -1.333 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023060459 668438961 /nfs/dbraw/zinc/43/89/61/668438961.db2.gz XGQGCHXACSDEQG-RBSFLKMASA-N 1 0 347.419 -1.087 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023060460 668438934 /nfs/dbraw/zinc/43/89/34/668438934.db2.gz XGQGCHXACSDEQG-RRFJBIMHSA-N 1 0 347.419 -1.087 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)CC1 ZINC001023060504 668438779 /nfs/dbraw/zinc/43/87/79/668438779.db2.gz YZURHNVMUKCJCJ-ZIAGYGMSSA-N 1 0 335.408 -1.087 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1)C1CC1 ZINC001023061042 668438939 /nfs/dbraw/zinc/43/89/39/668438939.db2.gz AKYPGDBQYOTGNP-NFAWXSAZSA-N 1 0 335.408 -1.089 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1)C1CC1 ZINC001023061043 668438965 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668444092 /nfs/dbraw/zinc/44/40/92/668444092.db2.gz SSSWJZZNDVSFQK-PHIMTYICSA-N 1 0 346.391 -1.132 20 0 EAADRO Cc1nccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023091326 668442701 /nfs/dbraw/zinc/44/27/01/668442701.db2.gz VELUMUZYFQUNBR-BETUJISGSA-N 1 0 348.407 -1.613 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[C@H]1COCCO1 ZINC001023093142 668444610 /nfs/dbraw/zinc/44/46/10/668444610.db2.gz YCICTBVKODGZHM-JHJVBQTASA-N 1 0 339.392 -1.815 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[C@@H]1COCCO1 ZINC001023093143 668444763 /nfs/dbraw/zinc/44/47/63/668444763.db2.gz YCICTBVKODGZHM-UPJWGTAASA-N 1 0 339.392 -1.815 20 0 EAADRO Cc1nccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001023093883 668444219 /nfs/dbraw/zinc/44/42/19/668444219.db2.gz RRGZKZBGBWFEPY-TXEJJXNPSA-N 1 0 334.380 -1.020 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)c[nH]1 ZINC001023094991 668445187 /nfs/dbraw/zinc/44/51/87/668445187.db2.gz CZZKEXQQOFOLNN-AOOOYVTPSA-N 1 0 348.363 -1.484 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)c[nH]1 ZINC001023095043 668445155 /nfs/dbraw/zinc/44/51/55/668445155.db2.gz FOXHKGVVGCPVHA-TXEJJXNPSA-N 1 0 349.391 -1.177 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC001023095190 668445095 /nfs/dbraw/zinc/44/50/95/668445095.db2.gz JXZFKSLQCUDHSH-DTORHVGOSA-N 1 0 333.352 -1.414 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)c[nH]1 ZINC001023095583 668445596 /nfs/dbraw/zinc/44/55/96/668445596.db2.gz SJOKWNHJKLGSQS-PHIMTYICSA-N 1 0 334.380 -1.011 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001023095801 668445667 /nfs/dbraw/zinc/44/56/67/668445667.db2.gz XECBXVYQCQDYQZ-AEJSXWLSSA-N 1 0 333.348 -1.231 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001023095805 668445558 /nfs/dbraw/zinc/44/55/58/668445558.db2.gz XECBXVYQCQDYQZ-KXUCPTDWSA-N 1 0 333.348 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O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)N1CCC1 ZINC001023100971 668447013 /nfs/dbraw/zinc/44/70/13/668447013.db2.gz DAHBOWNPGNLUDC-OUAUKWLOSA-N 1 0 330.410 -1.853 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023101026 668447064 /nfs/dbraw/zinc/44/70/64/668447064.db2.gz FGQGTKTUWDCRSH-JFGNBEQYSA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023101111 668446189 /nfs/dbraw/zinc/44/61/89/668446189.db2.gz FGQGTKTUWDCRSH-UMNHJUIQSA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023101168 668446085 /nfs/dbraw/zinc/44/60/85/668446085.db2.gz HNKBIYIXWUVZRR-AXFHLTTASA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023101169 668445973 /nfs/dbraw/zinc/44/59/73/668445973.db2.gz HNKBIYIXWUVZRR-OUAUKWLOSA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023101382 668445951 /nfs/dbraw/zinc/44/59/51/668445951.db2.gz LQWYTMZAVDNZMX-JFGNBEQYSA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023101383 668446113 /nfs/dbraw/zinc/44/61/13/668446113.db2.gz LQWYTMZAVDNZMX-UMNHJUIQSA-N 1 0 327.410 -1.151 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023101718 668446535 /nfs/dbraw/zinc/44/65/35/668446535.db2.gz RJLQOJUTPQTQFI-AXFHLTTASA-N 1 0 342.425 -1.274 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023101719 668446467 /nfs/dbraw/zinc/44/64/67/668446467.db2.gz RJLQOJUTPQTQFI-OUAUKWLOSA-N 1 0 342.425 -1.274 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023101755 668446435 /nfs/dbraw/zinc/44/64/35/668446435.db2.gz SVHIFIXVPSEENU-AEJSXWLSSA-N 1 0 328.398 -1.756 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023101756 668446630 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WNYSZVBYGISKCP-HRDYMLBCSA-N 1 0 344.397 -2.463 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nc1=O ZINC001023101902 668446488 /nfs/dbraw/zinc/44/64/88/668446488.db2.gz WNYSZVBYGISKCP-YIZRAAEISA-N 1 0 344.397 -2.463 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001023101987 668446457 /nfs/dbraw/zinc/44/64/57/668446457.db2.gz YJQQLBVRCLBHAH-GRYCIOLGSA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001023101988 668446401 /nfs/dbraw/zinc/44/64/01/668446401.db2.gz YJQQLBVRCLBHAH-TUAOUCFPSA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cncc(C(N)=O)c3)C2)nc1=O ZINC001023102011 668446681 /nfs/dbraw/zinc/44/66/81/668446681.db2.gz ZDZJMDPHDMICFE-PHIMTYICSA-N 1 0 345.363 -1.347 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001023102095 668446615 /nfs/dbraw/zinc/44/66/15/668446615.db2.gz CHUCRQPGNGMPTO-JHJVBQTASA-N 1 0 327.381 -1.815 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001023102096 668446421 /nfs/dbraw/zinc/44/64/21/668446421.db2.gz CHUCRQPGNGMPTO-UPJWGTAASA-N 1 0 327.381 -1.815 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001023102753 668447007 /nfs/dbraw/zinc/44/70/07/668447007.db2.gz AJBIKKCSNXAZJJ-JFGNBEQYSA-N 1 0 342.425 -1.274 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001023102754 668447023 /nfs/dbraw/zinc/44/70/23/668447023.db2.gz AJBIKKCSNXAZJJ-UMNHJUIQSA-N 1 0 342.425 -1.274 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023102762 668447072 /nfs/dbraw/zinc/44/70/72/668447072.db2.gz AUIHSQMZDFIDKD-JFGNBEQYSA-N 1 0 342.425 -1.274 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023102763 668446920 /nfs/dbraw/zinc/44/69/20/668446920.db2.gz AUIHSQMZDFIDKD-UMNHJUIQSA-N 1 0 342.425 -1.274 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)c1nncn1C ZINC001023102820 668447034 /nfs/dbraw/zinc/44/70/34/668447034.db2.gz CWGFNGVTNVXAAZ-CHWFTXMASA-N 1 0 342.425 -1.195 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)c1nncn1C ZINC001023102821 668447048 /nfs/dbraw/zinc/44/70/48/668447048.db2.gz CWGFNGVTNVXAAZ-MMWGEVLESA-N 1 0 342.425 -1.195 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1)c1nncn1C ZINC001023102822 668447169 /nfs/dbraw/zinc/44/71/69/668447169.db2.gz CWGFNGVTNVXAAZ-UKKRHICBSA-N 1 0 342.425 -1.195 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)c1nncn1C ZINC001023102823 668447138 /nfs/dbraw/zinc/44/71/38/668447138.db2.gz CWGFNGVTNVXAAZ-ZNSHCXBVSA-N 1 0 342.425 -1.195 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023102839 668447147 /nfs/dbraw/zinc/44/71/47/668447147.db2.gz DFDLRRCDZAADJG-KXNHARMFSA-N 1 0 344.437 -1.464 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023102840 668447165 /nfs/dbraw/zinc/44/71/65/668447165.db2.gz DFDLRRCDZAADJG-USZNOCQGSA-N 1 0 344.437 -1.464 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023102841 668447099 /nfs/dbraw/zinc/44/70/99/668447099.db2.gz DFDLRRCDZAADJG-WHOHXGKFSA-N 1 0 344.437 -1.464 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023102842 668446910 /nfs/dbraw/zinc/44/69/10/668446910.db2.gz DFDLRRCDZAADJG-WRWGMCAJSA-N 1 0 344.437 -1.464 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001023102870 668447141 /nfs/dbraw/zinc/44/71/41/668447141.db2.gz FOSWHSIFFQRYCH-AEJSXWLSSA-N 1 0 328.398 -1.458 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001023102871 668447154 /nfs/dbraw/zinc/44/71/54/668447154.db2.gz FOSWHSIFFQRYCH-KXUCPTDWSA-N 1 0 328.398 -1.458 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001023102944 668446949 /nfs/dbraw/zinc/44/69/49/668446949.db2.gz IZKONUQYNJLMNK-NGZCFLSTSA-N 1 0 328.398 -1.756 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001023102945 668447092 /nfs/dbraw/zinc/44/70/92/668447092.db2.gz IZKONUQYNJLMNK-WCABBAIRSA-N 1 0 328.398 -1.756 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103026 668447559 /nfs/dbraw/zinc/44/75/59/668447559.db2.gz MGVIGJROCHWZBL-GRYCIOLGSA-N 1 0 327.410 -1.188 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103027 668447519 /nfs/dbraw/zinc/44/75/19/668447519.db2.gz MGVIGJROCHWZBL-TUAOUCFPSA-N 1 0 327.410 -1.188 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103099 668447691 /nfs/dbraw/zinc/44/76/91/668447691.db2.gz OYJGSPQMKKGZTQ-JXUBOQSCSA-N 1 0 344.393 -2.280 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103100 668447623 /nfs/dbraw/zinc/44/76/23/668447623.db2.gz OYJGSPQMKKGZTQ-QCLAVDOMSA-N 1 0 344.393 -2.280 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103101 668447688 /nfs/dbraw/zinc/44/76/88/668447688.db2.gz OYJGSPQMKKGZTQ-RGOKHQFPSA-N 1 0 344.393 -2.280 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103102 668447615 /nfs/dbraw/zinc/44/76/15/668447615.db2.gz OYJGSPQMKKGZTQ-UTINFBMNSA-N 1 0 344.393 -2.280 20 0 EAADRO Cc1nccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001023103113 668447640 /nfs/dbraw/zinc/44/76/40/668447640.db2.gz PJKDEDWSHBOMNG-TXEJJXNPSA-N 1 0 346.391 -1.406 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023103139 668447526 /nfs/dbraw/zinc/44/75/26/668447526.db2.gz QIWNDSGDTOTEDY-NGZCFLSTSA-N 1 0 328.398 -1.756 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023103140 668447612 /nfs/dbraw/zinc/44/76/12/668447612.db2.gz QIWNDSGDTOTEDY-WCABBAIRSA-N 1 0 328.398 -1.756 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001023103177 668447517 /nfs/dbraw/zinc/44/75/17/668447517.db2.gz RYVMSEVJKOSUCQ-FRRDWIJNSA-N 1 0 341.437 -1.109 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001023103178 668447569 /nfs/dbraw/zinc/44/75/69/668447569.db2.gz RYVMSEVJKOSUCQ-XQQFMLRXSA-N 1 0 341.437 -1.109 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103188 668447648 /nfs/dbraw/zinc/44/76/48/668447648.db2.gz SCFXZDWJJFDBIU-AXFHLTTASA-N 1 0 345.425 -2.060 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103189 668447646 /nfs/dbraw/zinc/44/76/46/668447646.db2.gz SCFXZDWJJFDBIU-OUAUKWLOSA-N 1 0 345.425 -2.060 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023103215 668447464 /nfs/dbraw/zinc/44/74/64/668447464.db2.gz UCJAKDUHBYKNND-LOWVWBTDSA-N 1 0 341.437 -1.109 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023103216 668447639 /nfs/dbraw/zinc/44/76/39/668447639.db2.gz UCJAKDUHBYKNND-NTZNESFSSA-N 1 0 341.437 -1.109 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103226 668447565 /nfs/dbraw/zinc/44/75/65/668447565.db2.gz UODMYKSWGKXGIP-KXNHARMFSA-N 1 0 344.437 -1.464 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103227 668447698 /nfs/dbraw/zinc/44/76/98/668447698.db2.gz UODMYKSWGKXGIP-USZNOCQGSA-N 1 0 344.437 -1.464 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103228 668447511 /nfs/dbraw/zinc/44/75/11/668447511.db2.gz UODMYKSWGKXGIP-WHOHXGKFSA-N 1 0 344.437 -1.464 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103229 668447489 /nfs/dbraw/zinc/44/74/89/668447489.db2.gz UODMYKSWGKXGIP-WRWGMCAJSA-N 1 0 344.437 -1.464 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103232 668447686 /nfs/dbraw/zinc/44/76/86/668447686.db2.gz UPUMLEIZLSECMS-AXFHLTTASA-N 1 0 328.398 -1.793 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103233 668447587 /nfs/dbraw/zinc/44/75/87/668447587.db2.gz UPUMLEIZLSECMS-OUAUKWLOSA-N 1 0 328.398 -1.793 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103247 668447664 /nfs/dbraw/zinc/44/76/64/668447664.db2.gz UXLXGAZCDIVEDP-KHQFGBGNSA-N 1 0 331.423 -1.033 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103248 668447501 /nfs/dbraw/zinc/44/75/01/668447501.db2.gz UXLXGAZCDIVEDP-XKSSXDPKSA-N 1 0 331.423 -1.033 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001023103287 668447629 /nfs/dbraw/zinc/44/76/29/668447629.db2.gz WADGNCRCCNZCEG-GRYCIOLGSA-N 1 0 327.410 -1.151 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001023103288 668447469 /nfs/dbraw/zinc/44/74/69/668447469.db2.gz WADGNCRCCNZCEG-TUAOUCFPSA-N 1 0 327.410 -1.151 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103310 668447513 /nfs/dbraw/zinc/44/75/13/668447513.db2.gz XGTVNILLPKYDFI-LMLFDSFASA-N 1 0 330.410 -1.854 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103311 668447678 /nfs/dbraw/zinc/44/76/78/668447678.db2.gz XGTVNILLPKYDFI-VLEAKVRGSA-N 1 0 330.410 -1.854 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103312 668447460 /nfs/dbraw/zinc/44/74/60/668447460.db2.gz XGTVNILLPKYDFI-YTWAJWBKSA-N 1 0 330.410 -1.854 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001023103313 668447452 /nfs/dbraw/zinc/44/74/52/668447452.db2.gz XGTVNILLPKYDFI-ZRUFSTJUSA-N 1 0 330.410 -1.854 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023103329 668447656 /nfs/dbraw/zinc/44/76/56/668447656.db2.gz XQHAHOKNWFCTDN-AEJSXWLSSA-N 1 0 328.398 -1.756 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023103330 668447633 /nfs/dbraw/zinc/44/76/33/668447633.db2.gz XQHAHOKNWFCTDN-KXUCPTDWSA-N 1 0 328.398 -1.756 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103346 668447590 /nfs/dbraw/zinc/44/75/90/668447590.db2.gz YIMYTCIWGSUEGV-GRYCIOLGSA-N 1 0 344.437 -1.463 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103347 668447496 /nfs/dbraw/zinc/44/74/96/668447496.db2.gz YIMYTCIWGSUEGV-TUAOUCFPSA-N 1 0 344.437 -1.463 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103355 668447661 /nfs/dbraw/zinc/44/76/61/668447661.db2.gz YSSAHQXIHNTSQW-LMLFDSFASA-N 1 0 330.410 -1.807 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103356 668447597 /nfs/dbraw/zinc/44/75/97/668447597.db2.gz YSSAHQXIHNTSQW-VLEAKVRGSA-N 1 0 330.410 -1.807 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023103357 668447625 /nfs/dbraw/zinc/44/76/25/668447625.db2.gz YSSAHQXIHNTSQW-YTWAJWBKSA-N 1 0 330.410 -1.807 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023103358 668447456 /nfs/dbraw/zinc/44/74/56/668447456.db2.gz YSSAHQXIHNTSQW-ZRUFSTJUSA-N 1 0 330.410 -1.807 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1)C1CCC1 ZINC001023104093 668448089 /nfs/dbraw/zinc/44/80/89/668448089.db2.gz XCGCLZQLPKHNRM-MCIONIFRSA-N 1 0 341.408 -1.426 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1)C1CCC1 ZINC001023104095 668448170 /nfs/dbraw/zinc/44/81/70/668448170.db2.gz XCGCLZQLPKHNRM-MGPQQGTHSA-N 1 0 341.408 -1.426 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001023106686 668448568 /nfs/dbraw/zinc/44/85/68/668448568.db2.gz ASMGSKFKOUMBEP-CRWXNKLISA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001023106690 668448685 /nfs/dbraw/zinc/44/86/85/668448685.db2.gz ASMGSKFKOUMBEP-RFQIPJPRSA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001023106692 668448467 /nfs/dbraw/zinc/44/84/67/668448467.db2.gz ASMGSKFKOUMBEP-RQJABVFESA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001023106694 668448557 /nfs/dbraw/zinc/44/85/57/668448557.db2.gz ASMGSKFKOUMBEP-XJFOESAGSA-N 1 0 338.408 -1.299 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001023106874 668448665 /nfs/dbraw/zinc/44/86/65/668448665.db2.gz DYCKMOOLAQGAMN-MBNYWOFBSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001023106876 668448508 /nfs/dbraw/zinc/44/85/08/668448508.db2.gz DYCKMOOLAQGAMN-SCRDCRAPSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001023107036 668449559 /nfs/dbraw/zinc/44/95/59/668449559.db2.gz HSADRNDALQSFNI-MBNYWOFBSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001023107037 668449430 /nfs/dbraw/zinc/44/94/30/668449430.db2.gz HSADRNDALQSFNI-SCRDCRAPSA-N 1 0 336.396 -1.201 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001023107310 668449624 /nfs/dbraw/zinc/44/96/24/668449624.db2.gz MWWBHYXOBZPTJI-CRWXNKLISA-N 1 0 338.408 -1.251 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001023107313 668449705 /nfs/dbraw/zinc/44/97/05/668449705.db2.gz MWWBHYXOBZPTJI-RFQIPJPRSA-N 1 0 338.408 -1.251 20 0 EAADRO 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Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023126148 668453017 /nfs/dbraw/zinc/45/30/17/668453017.db2.gz KEQKSRPGWUSVBM-AOOOYVTPSA-N 1 0 332.368 -1.453 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001023126168 668453032 /nfs/dbraw/zinc/45/30/32/668453032.db2.gz KXVHMISZOJCXEZ-AOOOYVTPSA-N 1 0 335.368 -2.154 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001023126178 668453153 /nfs/dbraw/zinc/45/31/53/668453153.db2.gz LKLTVLNGYOSZFH-PHIMTYICSA-N 1 0 332.368 -1.453 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023126326 668453103 /nfs/dbraw/zinc/45/31/03/668453103.db2.gz QUOPMEDLCQGLIG-DTORHVGOSA-N 1 0 333.356 -2.058 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nc1=O ZINC001023126381 668453084 /nfs/dbraw/zinc/45/30/84/668453084.db2.gz UBWRKUBEZBEKKA-OCAPTIKFSA-N 1 0 349.355 -2.764 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023126444 668453830 /nfs/dbraw/zinc/45/38/30/668453830.db2.gz WOQRQJHVBJUHKU-AOOOYVTPSA-N 1 0 332.368 -1.453 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)nn1 ZINC001023126456 668453545 /nfs/dbraw/zinc/45/35/45/668453545.db2.gz WZYCYQWLTWIXHX-PHIMTYICSA-N 1 0 349.395 -1.764 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001023127332 668453499 /nfs/dbraw/zinc/45/34/99/668453499.db2.gz JWALATPTUNOJCZ-KXUCPTDWSA-N 1 0 325.394 -1.066 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001023127333 668453616 /nfs/dbraw/zinc/45/36/16/668453616.db2.gz JWALATPTUNOJCZ-OPRDCNLKSA-N 1 0 325.394 -1.066 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1cnns1 ZINC001023129247 668454797 /nfs/dbraw/zinc/45/47/97/668454797.db2.gz FYNJDDGXTRUKBU-NXEZZACHSA-N 1 0 337.405 -1.065 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)C1 ZINC001023129750 668454944 /nfs/dbraw/zinc/45/49/44/668454944.db2.gz 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NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001023130147 668454672 /nfs/dbraw/zinc/45/46/72/668454672.db2.gz BYJSGRGVYARRBK-AEJSXWLSSA-N 1 0 335.368 -2.108 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001023130148 668454620 /nfs/dbraw/zinc/45/46/20/668454620.db2.gz BYJSGRGVYARRBK-KXUCPTDWSA-N 1 0 335.368 -2.108 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001023130167 668454631 /nfs/dbraw/zinc/45/46/31/668454631.db2.gz CLPPHHWCWPZICG-HRDYMLBCSA-N 1 0 349.351 -2.581 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001023130168 668454864 /nfs/dbraw/zinc/45/48/64/668454864.db2.gz CLPPHHWCWPZICG-YIZRAAEISA-N 1 0 349.351 -2.581 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023130169 668454669 /nfs/dbraw/zinc/45/46/69/668454669.db2.gz CMKZSBIIXSVKAZ-DTORHVGOSA-N 1 0 333.356 -2.058 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001023130269 668454663 /nfs/dbraw/zinc/45/46/63/668454663.db2.gz HFDRTVZOFVPZLX-DTORHVGOSA-N 1 0 333.356 -1.759 20 0 EAADRO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)ncn1 ZINC001023130308 668454599 /nfs/dbraw/zinc/45/45/99/668454599.db2.gz IRJHFMCEKVYWJT-PHIMTYICSA-N 1 0 344.379 -1.088 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnns3)C2)nn1 ZINC001023130325 668454741 /nfs/dbraw/zinc/45/47/41/668454741.db2.gz JJXZGPQLPHEIDP-OCAPTIKFSA-N 1 0 336.381 -1.335 20 0 EAADRO CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001023130330 668454831 /nfs/dbraw/zinc/45/48/31/668454831.db2.gz JRMHMVYXFBDZIY-AXFHLTTASA-N 1 0 349.395 -1.765 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001023130331 668454675 /nfs/dbraw/zinc/45/46/75/668454675.db2.gz JRMHMVYXFBDZIY-OUAUKWLOSA-N 1 0 349.395 -1.765 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023130359 668454626 /nfs/dbraw/zinc/45/46/26/668454626.db2.gz KOLYNEURQPPAGI-DTORHVGOSA-N 1 0 333.356 -2.058 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)nn1 ZINC001023130364 668454842 /nfs/dbraw/zinc/45/48/42/668454842.db2.gz KRVFIUHCMHQGGH-PHIMTYICSA-N 1 0 332.368 -1.490 20 0 EAADRO Cc1nccnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023130388 668454581 /nfs/dbraw/zinc/45/45/81/668454581.db2.gz LPIAAYBSLXSIIW-PHIMTYICSA-N 1 0 344.379 -1.088 20 0 EAADRO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023130432 668454563 /nfs/dbraw/zinc/45/45/63/668454563.db2.gz NWTGWSPGPBDGBA-PHIMTYICSA-N 1 0 346.395 -1.410 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1)c1nncn1C ZINC001023130471 668454693 /nfs/dbraw/zinc/45/46/93/668454693.db2.gz PRNQDWMYVDUJNP-BBBLOLIVSA-N 1 0 347.383 -1.497 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1)c1nncn1C ZINC001023130472 668454682 /nfs/dbraw/zinc/45/46/82/668454682.db2.gz PRNQDWMYVDUJNP-LPEHRKFASA-N 1 0 347.383 -1.497 20 0 EAADRO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001023130517 668454923 /nfs/dbraw/zinc/45/49/23/668454923.db2.gz RTMKKKJEWCHBAI-TXEJJXNPSA-N 1 0 344.379 -1.088 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023130524 668454678 /nfs/dbraw/zinc/45/46/78/668454678.db2.gz SCOWDLUZJNCMTJ-AOOOYVTPSA-N 1 0 347.383 -1.575 20 0 EAADRO Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001023130527 668454751 /nfs/dbraw/zinc/45/47/51/668454751.db2.gz SKMTVEZXWNGXAH-PHIMTYICSA-N 1 0 344.379 -1.088 20 0 EAADRO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nn1C ZINC001023130544 668455180 /nfs/dbraw/zinc/45/51/80/668455180.db2.gz UCCTXYRMBGNRKY-PHIMTYICSA-N 1 0 346.395 -1.144 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)nn1 ZINC001023130549 668455426 /nfs/dbraw/zinc/45/54/26/668455426.db2.gz UCZHELBZDGQPIZ-PHIMTYICSA-N 1 0 349.395 -1.764 20 0 EAADRO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001023130578 668455262 /nfs/dbraw/zinc/45/52/62/668455262.db2.gz VEOINMGYAYRYPM-TXEJJXNPSA-N 1 0 346.395 -1.410 20 0 EAADRO Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001023130579 668455289 /nfs/dbraw/zinc/45/52/89/668455289.db2.gz VEPCQLDDMCYPOI-QNSHHTMESA-N 1 0 347.383 -1.198 20 0 EAADRO Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001023130580 668455356 /nfs/dbraw/zinc/45/53/56/668455356.db2.gz VEPCQLDDMCYPOI-UJNFCWOMSA-N 1 0 347.383 -1.198 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001023130597 668455304 /nfs/dbraw/zinc/45/53/04/668455304.db2.gz WEEOHHFBWRWLII-AOOOYVTPSA-N 1 0 347.383 -1.575 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)nn1 ZINC001023130599 668455267 /nfs/dbraw/zinc/45/52/67/668455267.db2.gz WFRITQBMZDFMAL-AOOOYVTPSA-N 1 0 333.356 -2.095 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001023130607 668455369 /nfs/dbraw/zinc/45/53/69/668455369.db2.gz WLIZKNUSKBELLW-AXFHLTTASA-N 1 0 349.395 -1.765 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001023130608 668455143 /nfs/dbraw/zinc/45/51/43/668455143.db2.gz WLIZKNUSKBELLW-OUAUKWLOSA-N 1 0 349.395 -1.765 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001023130645 668455319 /nfs/dbraw/zinc/45/53/19/668455319.db2.gz XRTNQRYQFSLJKK-DTORHVGOSA-N 1 0 333.356 -2.058 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001023130672 668455175 /nfs/dbraw/zinc/45/51/75/668455175.db2.gz YTTAZJOHTNEEJS-PHIMTYICSA-N 1 0 332.368 -1.453 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023130681 668455316 /nfs/dbraw/zinc/45/53/16/668455316.db2.gz ZJLYSYVTVUOIKA-TXEJJXNPSA-N 1 0 346.395 -1.144 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1)C(N)=O ZINC001023130901 668455278 /nfs/dbraw/zinc/45/52/78/668455278.db2.gz LPQRQBHNFABUJK-BBBLOLIVSA-N 1 0 337.384 -1.910 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1)C(N)=O ZINC001023130902 668455382 /nfs/dbraw/zinc/45/53/82/668455382.db2.gz LPQRQBHNFABUJK-LPEHRKFASA-N 1 0 337.384 -1.910 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001023131030 668455185 /nfs/dbraw/zinc/45/51/85/668455185.db2.gz UDSNKAQVENUVAU-AXFHLTTASA-N 1 0 349.395 -1.895 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001023131031 668455206 /nfs/dbraw/zinc/45/52/06/668455206.db2.gz UDSNKAQVENUVAU-OUAUKWLOSA-N 1 0 349.395 -1.895 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001023131283 668455242 /nfs/dbraw/zinc/45/52/42/668455242.db2.gz FYUVQNXAPJEMTN-NXEZZACHSA-N 1 0 325.394 -1.065 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)C1 ZINC001023131850 668454085 /nfs/dbraw/zinc/45/40/85/668454085.db2.gz SLRNYBDCPISLCD-IVZWLZJFSA-N 1 0 325.394 -1.209 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)C1 ZINC001023131852 668454161 /nfs/dbraw/zinc/45/41/61/668454161.db2.gz SLRNYBDCPISLCD-OPRDCNLKSA-N 1 0 325.394 -1.209 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001023133465 668455944 /nfs/dbraw/zinc/45/59/44/668455944.db2.gz YAMKZBNVPYZARK-NNYUYHANSA-N 1 0 336.392 -1.103 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001023133467 668455844 /nfs/dbraw/zinc/45/58/44/668455844.db2.gz YAMKZBNVPYZARK-WISYIIOYSA-N 1 0 336.392 -1.103 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001023133468 668455899 /nfs/dbraw/zinc/45/58/99/668455899.db2.gz YAMKZBNVPYZARK-WYUUTHIRSA-N 1 0 336.392 -1.103 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1=O ZINC001023133470 668455807 /nfs/dbraw/zinc/45/58/07/668455807.db2.gz YAMKZBNVPYZARK-YFKTTZPYSA-N 1 0 336.392 -1.103 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)C2)nc1=O ZINC001023134446 668455986 /nfs/dbraw/zinc/45/59/86/668455986.db2.gz GNQNEUMVGMRQLF-GARJFASQSA-N 1 0 336.396 -1.286 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)C2)nc1=O ZINC001023134448 668455769 /nfs/dbraw/zinc/45/57/69/668455769.db2.gz GNQNEUMVGMRQLF-MXWKQRLJSA-N 1 0 336.396 -1.286 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023137586 668456115 /nfs/dbraw/zinc/45/61/15/668456115.db2.gz NGIARNQWQPDYOA-GRYCIOLGSA-N 1 0 336.396 -1.144 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)n(C)c1=O ZINC001023137714 668456283 /nfs/dbraw/zinc/45/62/83/668456283.db2.gz RJMQZYPSPOSNJF-PHIMTYICSA-N 1 0 349.391 -1.277 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001023138190 668456337 /nfs/dbraw/zinc/45/63/37/668456337.db2.gz JGDGHFLQRJZLCU-AEJSXWLSSA-N 1 0 335.364 -1.621 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001023138191 668456447 /nfs/dbraw/zinc/45/64/47/668456447.db2.gz JGDGHFLQRJZLCU-KXUCPTDWSA-N 1 0 335.364 -1.621 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC001023138719 668456586 /nfs/dbraw/zinc/45/65/86/668456586.db2.gz XIOWJWMRBUJASE-DTORHVGOSA-N 1 0 335.368 -1.804 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)n(C)c1=O ZINC001023140098 668457282 /nfs/dbraw/zinc/45/72/82/668457282.db2.gz QQVPAXLFKCJGTE-PHIMTYICSA-N 1 0 336.396 -1.401 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc(C(N)=O)n3)C2)nc1=O ZINC001023143150 668457680 /nfs/dbraw/zinc/45/76/80/668457680.db2.gz IUFUSFTYXCUSTI-DTORHVGOSA-N 1 0 345.363 -1.347 20 0 EAADRO NC(=O)c1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001023143878 668457274 /nfs/dbraw/zinc/45/72/74/668457274.db2.gz WQTHSFGBBCJHTJ-SBMIAAHKSA-N 1 0 345.359 -1.164 20 0 EAADRO NC(=O)c1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001023143881 668457166 /nfs/dbraw/zinc/45/71/66/668457166.db2.gz WQTHSFGBBCJHTJ-VDDIYKPWSA-N 1 0 345.359 -1.164 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)n(C)n1 ZINC001023149115 668458638 /nfs/dbraw/zinc/45/86/38/668458638.db2.gz MXIPJADZKFZXCR-OUCADQQQSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)n(C)n1 ZINC001023149116 668458607 /nfs/dbraw/zinc/45/86/07/668458607.db2.gz MXIPJADZKFZXCR-YRGRVCCFSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)c1 ZINC001023149530 668459252 /nfs/dbraw/zinc/45/92/52/668459252.db2.gz ZFMGSARRMDBQGM-MGPQQGTHSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)nn1C ZINC001023150558 668459312 /nfs/dbraw/zinc/45/93/12/668459312.db2.gz NXVCYGJIJOGSAH-IACUBPJLSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)nn1C ZINC001023150559 668459284 /nfs/dbraw/zinc/45/92/84/668459284.db2.gz NXVCYGJIJOGSAH-MRVWCRGKSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)c1 ZINC001023152418 668459805 /nfs/dbraw/zinc/45/98/05/668459805.db2.gz ZFMGSARRMDBQGM-HZSPNIEDSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)c1 ZINC001023153643 668460128 /nfs/dbraw/zinc/46/01/28/668460128.db2.gz MURJDENYQNIEFY-BFHYXJOUSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)c1 ZINC001023153648 668460293 /nfs/dbraw/zinc/46/02/93/668460293.db2.gz MURJDENYQNIEFY-MGPQQGTHSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)c1 ZINC001023154072 668460258 /nfs/dbraw/zinc/46/02/58/668460258.db2.gz XIZSVXDRDFMAFB-ZIAGYGMSSA-N 1 0 347.419 -1.025 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)c1 ZINC001023154175 668460288 /nfs/dbraw/zinc/46/02/88/668460288.db2.gz ZSVSUNAKWYBEPW-ZIAGYGMSSA-N 1 0 335.408 -1.025 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001023158452 668459895 /nfs/dbraw/zinc/45/98/95/668459895.db2.gz SIPFMUAWWMDETH-JFGNBEQYSA-N 1 0 345.359 -1.164 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001023158453 668460213 /nfs/dbraw/zinc/46/02/13/668460213.db2.gz SIPFMUAWWMDETH-UMNHJUIQSA-N 1 0 345.359 -1.164 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C(N)=O)cn3)C2)nc1=O ZINC001023158486 668460010 /nfs/dbraw/zinc/46/00/10/668460010.db2.gz UGIZONRFIWHAAX-AOOOYVTPSA-N 1 0 345.363 -1.347 20 0 EAADRO O=C(Cn1ccnc1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023158627 668460150 /nfs/dbraw/zinc/46/01/50/668460150.db2.gz AEDYRYRKHQJDRW-TXEJJXNPSA-N 1 0 334.380 -1.922 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ccnc3)C2)n(C)c1=O ZINC001023160836 668460993 /nfs/dbraw/zinc/46/09/93/668460993.db2.gz DVLODCVAEAKITE-TXEJJXNPSA-N 1 0 346.391 -1.283 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C(N)=O)nc3)C2)nc1=O ZINC001023162509 668460862 /nfs/dbraw/zinc/46/08/62/668460862.db2.gz ANUULLWFRXLKEW-AOOOYVTPSA-N 1 0 345.363 -1.347 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001023162528 668461045 /nfs/dbraw/zinc/46/10/45/668461045.db2.gz BKUSOZKXBTXCGW-JFGNBEQYSA-N 1 0 345.359 -1.164 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001023162529 668460969 /nfs/dbraw/zinc/46/09/69/668460969.db2.gz BKUSOZKXBTXCGW-UMNHJUIQSA-N 1 0 345.359 -1.164 20 0 EAADRO Cc1nonc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023163371 668461029 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SEALTJLYSQYRPN-AEJSXWLSSA-N 1 0 337.384 -1.612 20 0 EAADRO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023172573 668462766 /nfs/dbraw/zinc/46/27/66/668462766.db2.gz BLJKWUUPTSYVQL-DGCLKSJQSA-N 1 0 333.392 -1.183 20 0 EAADRO Cc1nc[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023174249 668463014 /nfs/dbraw/zinc/46/30/14/668463014.db2.gz KZTOPRSLGKLNEY-PHIMTYICSA-N 1 0 334.380 -1.473 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)nc1=O ZINC001023175827 668463625 /nfs/dbraw/zinc/46/36/25/668463625.db2.gz GZEJMHGMRVITRQ-HLTSFMKQSA-N 1 0 336.352 -2.102 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)nc1=O ZINC001023175828 668463674 /nfs/dbraw/zinc/46/36/74/668463674.db2.gz GZEJMHGMRVITRQ-XHNCKOQMSA-N 1 0 336.352 -2.102 20 0 EAADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N1CCOCC1 ZINC001023175852 668463616 /nfs/dbraw/zinc/46/36/16/668463616.db2.gz HZGHPUZHGZLAFI-RVMXOQNASA-N 1 0 338.408 -1.251 20 0 EAADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N1CCOCC1 ZINC001023175853 668463520 /nfs/dbraw/zinc/46/35/20/668463520.db2.gz HZGHPUZHGZLAFI-WUHRBBMRSA-N 1 0 338.408 -1.251 20 0 EAADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)N1CCOCC1 ZINC001023175960 668462774 /nfs/dbraw/zinc/46/27/74/668462774.db2.gz NCWPDMJCEGORBR-SDDRHHMPSA-N 1 0 338.412 -1.434 20 0 EAADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)N1CCOCC1 ZINC001023176029 668462759 /nfs/dbraw/zinc/46/27/59/668462759.db2.gz PUQAOUVYCMCIQY-MELADBBJSA-N 1 0 339.440 -1.031 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001023176046 668462621 /nfs/dbraw/zinc/46/26/21/668462621.db2.gz QFHKEMKVISULCB-SDDRHHMPSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001023176047 668462805 /nfs/dbraw/zinc/46/28/05/668462805.db2.gz QFHKEMKVISULCB-UTUOFQBUSA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)cn1 ZINC001023176436 668463176 /nfs/dbraw/zinc/46/31/76/668463176.db2.gz ATNIRGMYAJMIDN-HZSPNIEDSA-N 1 0 335.408 -1.255 20 0 EAADRO Cn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)cn1 ZINC001023176437 668463038 /nfs/dbraw/zinc/46/30/38/668463038.db2.gz ATNIRGMYAJMIDN-MGPQQGTHSA-N 1 0 335.408 -1.255 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001023177107 668464038 /nfs/dbraw/zinc/46/40/38/668464038.db2.gz OCOSCVJOKLSQEW-SDDRHHMPSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001023177109 668464159 /nfs/dbraw/zinc/46/41/59/668464159.db2.gz OCOSCVJOKLSQEW-UTUOFQBUSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001023177534 668464127 /nfs/dbraw/zinc/46/41/27/668464127.db2.gz SMWZTDJTTUYUQT-GARJFASQSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001023177536 668464035 /nfs/dbraw/zinc/46/40/35/668464035.db2.gz SMWZTDJTTUYUQT-MXWKQRLJSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023177547 668464066 /nfs/dbraw/zinc/46/40/66/668464066.db2.gz SVVBHAOLJFSATN-AXTSPUMRSA-N 1 0 336.348 -1.919 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023177548 668464133 /nfs/dbraw/zinc/46/41/33/668464133.db2.gz SVVBHAOLJFSATN-DOLQZWNJSA-N 1 0 336.348 -1.919 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023177550 668464059 /nfs/dbraw/zinc/46/40/59/668464059.db2.gz SVVBHAOLJFSATN-IMSYWVGJSA-N 1 0 336.348 -1.919 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023177551 668463949 /nfs/dbraw/zinc/46/39/49/668463949.db2.gz SVVBHAOLJFSATN-QEYWKRMJSA-N 1 0 336.348 -1.919 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)C1=O ZINC001023177558 668464106 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EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)nn1 ZINC001023586402 668537366 /nfs/dbraw/zinc/53/73/66/668537366.db2.gz DACWBVGFRIRAOD-DMDPSCGWSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)nn1 ZINC001023586403 668537507 /nfs/dbraw/zinc/53/75/07/668537507.db2.gz DACWBVGFRIRAOD-NQBHXWOUSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)nn1 ZINC001023586458 668537911 /nfs/dbraw/zinc/53/79/11/668537911.db2.gz GUAIYLGICIXLLX-DGCLKSJQSA-N 1 0 348.407 -1.255 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)nn1 ZINC001023586510 668537858 /nfs/dbraw/zinc/53/78/58/668537858.db2.gz JNWFNDWWXMFFRN-ZYHUDNBSSA-N 1 0 334.380 -1.788 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2O)nn1 ZINC001023587510 668539032 /nfs/dbraw/zinc/53/90/32/668539032.db2.gz KBWTVJCHSWMSMO-KFNAQCHYSA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)nn1 ZINC001023587518 668539016 /nfs/dbraw/zinc/53/90/16/668539016.db2.gz KLGUHLAIFMKTRD-DGCLKSJQSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)nn1 ZINC001023587706 668539021 /nfs/dbraw/zinc/53/90/21/668539021.db2.gz OEYQVBRULJZPRL-DGCLKSJQSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2O)nn1 ZINC001023587724 668539045 /nfs/dbraw/zinc/53/90/45/668539045.db2.gz OSXSHLXLZGGBFT-KGYLQXTDSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2O)nn1 ZINC001023587725 668538966 /nfs/dbraw/zinc/53/89/66/668538966.db2.gz OSXSHLXLZGGBFT-RAIGVLPGSA-N 1 0 336.396 -1.399 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001023587925 668539098 /nfs/dbraw/zinc/53/90/98/668539098.db2.gz SMNULJGAPCRVNG-ZYHUDNBSSA-N 1 0 333.352 -1.609 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]2O)nn1 ZINC001023587945 668539086 /nfs/dbraw/zinc/53/90/86/668539086.db2.gz UCSUVXKWOXKULO-ZYHUDNBSSA-N 1 0 333.352 -1.597 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001023588160 668537432 /nfs/dbraw/zinc/53/74/32/668537432.db2.gz ZJVSZIXTSMOJAI-RAIGVLPGSA-N 1 0 338.412 -1.297 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001023588162 668537246 /nfs/dbraw/zinc/53/72/46/668537246.db2.gz ZJVSZIXTSMOJAI-RTXFEEFZSA-N 1 0 338.412 -1.297 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588510 668537264 /nfs/dbraw/zinc/53/72/64/668537264.db2.gz CBQJXVVWDDVPGG-GRYCIOLGSA-N 1 0 326.397 -1.407 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588511 668537604 /nfs/dbraw/zinc/53/76/04/668537604.db2.gz CBQJXVVWDDVPGG-SDDRHHMPSA-N 1 0 326.397 -1.407 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588608 668537668 /nfs/dbraw/zinc/53/76/68/668537668.db2.gz FSVUTAWYJIALBK-FRRDWIJNSA-N 1 0 340.424 -1.064 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588609 668537352 /nfs/dbraw/zinc/53/73/52/668537352.db2.gz FSVUTAWYJIALBK-RWMBFGLXSA-N 1 0 340.424 -1.064 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)nn1 ZINC001023589430 668539936 /nfs/dbraw/zinc/53/99/36/668539936.db2.gz LJMXRTLOIPPCFF-ZYHUDNBSSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2O)nn1 ZINC001023589662 668539940 /nfs/dbraw/zinc/53/99/40/668539940.db2.gz RAOMEUCEKKQVAS-OUCADQQQSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2O)nn1 ZINC001023589663 668539934 /nfs/dbraw/zinc/53/99/34/668539934.db2.gz RAOMEUCEKKQVAS-YRGRVCCFSA-N 1 0 348.407 -1.542 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)o1 ZINC001023589817 668539958 /nfs/dbraw/zinc/53/99/58/668539958.db2.gz WTQJQTPBDGPYEH-GRYCIOLGSA-N 1 0 337.380 -1.297 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)o1 ZINC001023589818 668539975 /nfs/dbraw/zinc/53/99/75/668539975.db2.gz WTQJQTPBDGPYEH-IJLUTSLNSA-N 1 0 337.380 -1.297 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2O)nn1 ZINC001023589904 668540480 /nfs/dbraw/zinc/54/04/80/668540480.db2.gz AZFFFGXVPVFXAS-RAIGVLPGSA-N 1 0 336.396 -1.543 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2O)nn1 ZINC001023589905 668540537 /nfs/dbraw/zinc/54/05/37/668540537.db2.gz AZFFFGXVPVFXAS-RTXFEEFZSA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001023590055 668540497 /nfs/dbraw/zinc/54/04/97/668540497.db2.gz IAKJBHJHNZPILU-DMDPSCGWSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001023590056 668540456 /nfs/dbraw/zinc/54/04/56/668540456.db2.gz IAKJBHJHNZPILU-NQBHXWOUSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)C1 ZINC001023590246 668540541 /nfs/dbraw/zinc/54/05/41/668540541.db2.gz MRFRQWYWGWLKTR-DMDPSCGWSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)C1 ZINC001023590247 668540344 /nfs/dbraw/zinc/54/03/44/668540344.db2.gz MRFRQWYWGWLKTR-NQBHXWOUSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)CC[N@@H+]1C ZINC001023590420 668540289 /nfs/dbraw/zinc/54/02/89/668540289.db2.gz TYSFSRNCOHMIMB-PRULPYPASA-N 1 0 336.396 -1.543 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1)[NH+](C)C ZINC001023591835 668539521 /nfs/dbraw/zinc/53/95/21/668539521.db2.gz FBHWTYHJVDYYRS-IJLUTSLNSA-N 1 0 339.396 -1.051 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)n1 ZINC001023591943 668539570 /nfs/dbraw/zinc/53/95/70/668539570.db2.gz FFLBCYHHNIJYIE-VXGBXAGGSA-N 1 0 348.407 -1.255 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)n2)C1)[NH+](C)C ZINC001023592017 668539450 /nfs/dbraw/zinc/53/94/50/668539450.db2.gz IBLXVSPLSUJBQO-JHJVBQTASA-N 1 0 338.412 -1.060 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)n1 ZINC001023592418 668541524 /nfs/dbraw/zinc/54/15/24/668541524.db2.gz ATVXPQHOBJXGON-GHMZBOCLSA-N 1 0 334.380 -1.788 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2O)n1 ZINC001023592526 668541348 /nfs/dbraw/zinc/54/13/48/668541348.db2.gz CSGIYEZIDMBTDU-HSMVNMDESA-N 1 0 348.407 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2O)n1 ZINC001023592575 668541323 /nfs/dbraw/zinc/54/13/23/668541323.db2.gz OFEJYSLLOBIXGK-GMTAPVOTSA-N 1 0 338.368 -2.553 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2O)n1 ZINC001023592576 668541444 /nfs/dbraw/zinc/54/14/44/668541444.db2.gz OFEJYSLLOBIXGK-MXWKQRLJSA-N 1 0 338.368 -2.553 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)n1 ZINC001023593147 668541867 /nfs/dbraw/zinc/54/18/67/668541867.db2.gz MFECYJRQTSENMY-VXGBXAGGSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)n1 ZINC001023593349 668542493 /nfs/dbraw/zinc/54/24/93/668542493.db2.gz QCKCQFHHQLFEIQ-VXGBXAGGSA-N 1 0 336.396 -1.399 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001023593354 668542297 /nfs/dbraw/zinc/54/22/97/668542297.db2.gz QKUGJTNMYBFYJE-IJLUTSLNSA-N 1 0 338.412 -1.297 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001023593355 668542399 /nfs/dbraw/zinc/54/23/99/668542399.db2.gz QKUGJTNMYBFYJE-UTUOFQBUSA-N 1 0 338.412 -1.297 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2O)n1 ZINC001023593522 668542214 /nfs/dbraw/zinc/54/22/14/668542214.db2.gz UQBMWHIQSFPCGQ-GRYCIOLGSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2O)n1 ZINC001023593523 668542257 /nfs/dbraw/zinc/54/22/57/668542257.db2.gz UQBMWHIQSFPCGQ-IJLUTSLNSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023593538 668542334 /nfs/dbraw/zinc/54/23/34/668542334.db2.gz VOXKNAFSTJZHHV-IJLUTSLNSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023593539 668542421 /nfs/dbraw/zinc/54/24/21/668542421.db2.gz VOXKNAFSTJZHHV-QJPTWQEYSA-N 1 0 336.396 -1.542 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC001023593783 668542202 /nfs/dbraw/zinc/54/22/02/668542202.db2.gz BNGNXJHXQREKKT-UPJWGTAASA-N 1 0 337.424 -1.039 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC001023593784 668542188 /nfs/dbraw/zinc/54/21/88/668542188.db2.gz BNGNXJHXQREKKT-XQQFMLRXSA-N 1 0 337.424 -1.039 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1)[NH+](C)C ZINC001023594619 668540884 /nfs/dbraw/zinc/54/08/84/668540884.db2.gz FBHWTYHJVDYYRS-GRYCIOLGSA-N 1 0 339.396 -1.051 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)o1 ZINC001023594635 668541040 /nfs/dbraw/zinc/54/10/40/668541040.db2.gz FSWYUAQLEKQTOC-VXGBXAGGSA-N 1 0 337.380 -1.296 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)o1 ZINC001023594814 668541066 /nfs/dbraw/zinc/54/10/66/668541066.db2.gz ODOVJMJQVDKCPK-IJLUTSLNSA-N 1 0 337.380 -1.440 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)o1 ZINC001023594815 668541102 /nfs/dbraw/zinc/54/11/02/668541102.db2.gz ODOVJMJQVDKCPK-QJPTWQEYSA-N 1 0 337.380 -1.440 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2O)n1 ZINC001023595119 668540851 /nfs/dbraw/zinc/54/08/51/668540851.db2.gz FQSFKXSUBUACGG-JHJVBQTASA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2O)n1 ZINC001023595120 668540997 /nfs/dbraw/zinc/54/09/97/668540997.db2.gz FQSFKXSUBUACGG-YNEHKIRRSA-N 1 0 348.407 -1.542 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)CC[N@@H+]1C ZINC001023597402 668542382 /nfs/dbraw/zinc/54/23/82/668542382.db2.gz FADPCEKHJSXHQE-DDHJBXDOSA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)C1 ZINC001023597787 668542834 /nfs/dbraw/zinc/54/28/34/668542834.db2.gz KQKPAOMKBJXHNN-IJLUTSLNSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)C1 ZINC001023597788 668542787 /nfs/dbraw/zinc/54/27/87/668542787.db2.gz KQKPAOMKBJXHNN-QJPTWQEYSA-N 1 0 336.396 -1.542 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)o1 ZINC001023598305 668543514 /nfs/dbraw/zinc/54/35/14/668543514.db2.gz CGZXCWPALOOLJS-VXGBXAGGSA-N 1 0 349.391 -1.296 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001023598477 668543503 /nfs/dbraw/zinc/54/35/03/668543503.db2.gz FYBSIFLJCPLNKP-IJLUTSLNSA-N 1 0 336.396 -1.543 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001023598478 668543560 /nfs/dbraw/zinc/54/35/60/668543560.db2.gz FYBSIFLJCPLNKP-UTUOFQBUSA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001023598780 668542769 /nfs/dbraw/zinc/54/27/69/668542769.db2.gz LDKXTYNWMFWMDW-IJLUTSLNSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001023598782 668542750 /nfs/dbraw/zinc/54/27/50/668542750.db2.gz LDKXTYNWMFWMDW-QJPTWQEYSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)n1 ZINC001023599095 668543811 /nfs/dbraw/zinc/54/38/11/668543811.db2.gz ZNJFHJAVPJVPNB-GHMZBOCLSA-N 1 0 336.396 -1.399 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001023600207 668543903 /nfs/dbraw/zinc/54/39/03/668543903.db2.gz HVPWQCHUUOZGLV-NQBHXWOUSA-N 1 0 336.396 -1.306 20 0 EAADRO 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338.408 -1.044 20 0 EAADRO O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001023647527 668554122 /nfs/dbraw/zinc/55/41/22/668554122.db2.gz KGSBPMMYNPMHJN-CMPLNLGQSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001023647528 668554270 /nfs/dbraw/zinc/55/42/70/668554270.db2.gz KGSBPMMYNPMHJN-JQWIXIFHSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(NC[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001023647645 668554384 /nfs/dbraw/zinc/55/43/84/668554384.db2.gz KGSBPMMYNPMHJN-PWSUYJOCSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(NC[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001023647646 668554004 /nfs/dbraw/zinc/55/40/04/668554004.db2.gz KGSBPMMYNPMHJN-ZYHUDNBSSA-N 1 0 336.392 -1.244 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1)[NH+](C)C ZINC001023648158 668554676 /nfs/dbraw/zinc/55/46/76/668554676.db2.gz STJUECRCZVUOTE-MGPQQGTHSA-N 1 0 337.424 -1.009 20 0 EAADRO 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ZINC001023649013 668554870 /nfs/dbraw/zinc/55/48/70/668554870.db2.gz OFDOXOJGPYGCON-VXGBXAGGSA-N 1 0 347.379 -1.370 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)n1 ZINC001023650518 668556582 /nfs/dbraw/zinc/55/65/82/668556582.db2.gz XAJSGXWYWJHWKT-HZSPNIEDSA-N 1 0 335.408 -1.255 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)n1 ZINC001023651830 668554851 /nfs/dbraw/zinc/55/48/51/668554851.db2.gz BQQRGTMCHRGXNQ-ZIAGYGMSSA-N 1 0 347.419 -1.254 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)n1 ZINC001023651839 668554959 /nfs/dbraw/zinc/55/49/59/668554959.db2.gz BZVGOCXZQSWSKS-ZIAGYGMSSA-N 1 0 335.408 -1.254 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023651882 668555608 /nfs/dbraw/zinc/55/56/08/668555608.db2.gz DOVPELCNBHUACK-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023651883 668555233 /nfs/dbraw/zinc/55/52/33/668555233.db2.gz DOVPELCNBHUACK-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccn(C)n3)C2)C1 ZINC001023652235 668555508 /nfs/dbraw/zinc/55/55/08/668555508.db2.gz PAPOXSSKIFVWDX-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccn(C)n3)C2)C1 ZINC001023652236 668555567 /nfs/dbraw/zinc/55/55/67/668555567.db2.gz PAPOXSSKIFVWDX-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001023652249 668555623 /nfs/dbraw/zinc/55/56/23/668555623.db2.gz PVZNRJOFDYOMAC-FMKPAKJESA-N 1 0 349.435 -1.009 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001023652250 668555330 /nfs/dbraw/zinc/55/53/30/668555330.db2.gz PVZNRJOFDYOMAC-IIAWOOMASA-N 1 0 349.435 -1.009 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1)[NH+](C)C ZINC001023652424 668555577 /nfs/dbraw/zinc/55/55/77/668555577.db2.gz STJUECRCZVUOTE-HZSPNIEDSA-N 1 0 337.424 -1.009 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001023652880 668555429 /nfs/dbraw/zinc/55/54/29/668555429.db2.gz IILOTXMIWWQJPM-NMFUWQPSSA-N 1 0 349.435 -1.009 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023653164 668555491 /nfs/dbraw/zinc/55/54/91/668555491.db2.gz ODTMRBGVLHQGMO-IACUBPJLSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023653165 668555368 /nfs/dbraw/zinc/55/53/68/668555368.db2.gz ODTMRBGVLHQGMO-MRVWCRGKSA-N 1 0 335.408 -1.398 20 0 EAADRO O=C(NC[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)c1nnc[nH]1 ZINC001023655986 668556447 /nfs/dbraw/zinc/55/64/47/668556447.db2.gz QFBVFFZCOLZCPX-JTQLQIEISA-N 1 0 335.368 -1.202 20 0 EAADRO O=C(NC[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)c1nnc[nH]1 ZINC001023655987 668556619 /nfs/dbraw/zinc/55/66/19/668556619.db2.gz QFBVFFZCOLZCPX-SNVBAGLBSA-N 1 0 335.368 -1.202 20 0 EAADRO O=C(Cn1ccccc1=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023668150 668558442 /nfs/dbraw/zinc/55/84/42/668558442.db2.gz CVYFUDHEYDLMQT-ZIAGYGMSSA-N 1 0 348.403 -1.368 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001023668288 668558580 /nfs/dbraw/zinc/55/85/80/668558580.db2.gz FQNWPSLPJFBCDG-HZSPNIEDSA-N 1 0 348.403 -1.370 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001023668289 668558467 /nfs/dbraw/zinc/55/84/67/668558467.db2.gz FQNWPSLPJFBCDG-MGPQQGTHSA-N 1 0 348.403 -1.370 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)C1 ZINC001023668799 668558491 /nfs/dbraw/zinc/55/84/91/668558491.db2.gz SEDIZYLUOIQUPO-BFHYXJOUSA-N 1 0 348.403 -1.512 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)C1 ZINC001023668802 668558958 /nfs/dbraw/zinc/55/89/58/668558958.db2.gz SEDIZYLUOIQUPO-MGPQQGTHSA-N 1 0 348.403 -1.512 20 0 EAADRO C[C@H](C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001023684627 668559969 /nfs/dbraw/zinc/55/99/69/668559969.db2.gz LCNWIFIASSLKED-JHJVBQTASA-N 1 0 340.424 -1.186 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001023684628 668559974 /nfs/dbraw/zinc/55/99/74/668559974.db2.gz LCNWIFIASSLKED-YNEHKIRRSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001023688604 668560723 /nfs/dbraw/zinc/56/07/23/668560723.db2.gz AXGNDRATBFTTSS-FRRDWIJNSA-N 1 0 340.424 -1.187 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001023688605 668560638 /nfs/dbraw/zinc/56/06/38/668560638.db2.gz AXGNDRATBFTTSS-JHJVBQTASA-N 1 0 340.424 -1.187 20 0 EAADRO C[C@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001023690209 668560732 /nfs/dbraw/zinc/56/07/32/668560732.db2.gz GFSIUULNQBNZHA-IJLUTSLNSA-N 1 0 326.397 -1.576 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001023690211 668560593 /nfs/dbraw/zinc/56/05/93/668560593.db2.gz GFSIUULNQBNZHA-QJPTWQEYSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001023690649 668561159 /nfs/dbraw/zinc/56/11/59/668561159.db2.gz SCGFWAYHFVAZSX-GRYCIOLGSA-N 1 0 326.397 -1.578 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001023690650 668561315 /nfs/dbraw/zinc/56/13/15/668561315.db2.gz SCGFWAYHFVAZSX-IJLUTSLNSA-N 1 0 326.397 -1.578 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC001023691747 668560649 /nfs/dbraw/zinc/56/06/49/668560649.db2.gz OSWLMAOHKHAEOR-VXGBXAGGSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)CC1 ZINC001023693047 668560625 /nfs/dbraw/zinc/56/06/25/668560625.db2.gz AWDFDCIOOCXWQF-VXGBXAGGSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)CC1 ZINC001023694078 668560590 /nfs/dbraw/zinc/56/05/90/668560590.db2.gz HNRATEJJTRBLJM-CHWSQXEVSA-N 1 0 336.396 -1.162 20 0 EAADRO COc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)n1 ZINC001023698753 668561190 /nfs/dbraw/zinc/56/11/90/668561190.db2.gz NELXDBXKQSSRPI-JHJVBQTASA-N 1 0 349.391 -1.119 20 0 EAADRO COc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)n1 ZINC001023699610 668561948 /nfs/dbraw/zinc/56/19/48/668561948.db2.gz NELXDBXKQSSRPI-FRRDWIJNSA-N 1 0 349.391 -1.119 20 0 EAADRO COc1c(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)[nH]c(=O)[nH]c1=O ZINC001023700384 668561966 /nfs/dbraw/zinc/56/19/66/668561966.db2.gz ONJPQLPYHXXWKX-MRVPVSSYSA-N 1 0 339.352 -1.177 20 0 EAADRO COc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)[nH]c(=O)[nH]c1=O ZINC001023700385 668561813 /nfs/dbraw/zinc/56/18/13/668561813.db2.gz ONJPQLPYHXXWKX-QMMMGPOBSA-N 1 0 339.352 -1.177 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023700570 668561340 /nfs/dbraw/zinc/56/13/40/668561340.db2.gz UHRLACGFHBDHIA-JTQLQIEISA-N 1 0 347.379 -1.395 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023700571 668561302 /nfs/dbraw/zinc/56/13/02/668561302.db2.gz UHRLACGFHBDHIA-SNVBAGLBSA-N 1 0 347.379 -1.395 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023701748 668561254 /nfs/dbraw/zinc/56/12/54/668561254.db2.gz VYWIEVZCQGIWMN-NXEZZACHSA-N 1 0 347.379 -1.267 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023701749 668561425 /nfs/dbraw/zinc/56/14/25/668561425.db2.gz VYWIEVZCQGIWMN-UWVGGRQHSA-N 1 0 347.379 -1.267 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023701750 668561168 /nfs/dbraw/zinc/56/11/68/668561168.db2.gz VYWIEVZCQGIWMN-VHSXEESVSA-N 1 0 347.379 -1.267 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023701751 668561405 /nfs/dbraw/zinc/56/14/05/668561405.db2.gz VYWIEVZCQGIWMN-ZJUUUORDSA-N 1 0 347.379 -1.267 20 0 EAADRO COc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023702044 668561329 /nfs/dbraw/zinc/56/13/29/668561329.db2.gz PUPDUWKAPBVQTB-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023702045 668561272 /nfs/dbraw/zinc/56/12/72/668561272.db2.gz PUPDUWKAPBVQTB-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1cncc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)n1 ZINC001023702231 668561349 /nfs/dbraw/zinc/56/13/49/668561349.db2.gz YFCHKFDRTVXAGI-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023704263 668561973 /nfs/dbraw/zinc/56/19/73/668561973.db2.gz IPQLKRCWFHKNSP-FRRDWIJNSA-N 1 0 336.396 -1.021 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023704264 668561875 /nfs/dbraw/zinc/56/18/75/668561875.db2.gz IPQLKRCWFHKNSP-JHJVBQTASA-N 1 0 336.396 -1.021 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023706098 668562501 /nfs/dbraw/zinc/56/25/01/668562501.db2.gz IVAALQVMDDTQKX-GRYCIOLGSA-N 1 0 336.396 -1.021 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023706099 668562356 /nfs/dbraw/zinc/56/23/56/668562356.db2.gz IVAALQVMDDTQKX-IJLUTSLNSA-N 1 0 336.396 -1.021 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001023706704 668562446 /nfs/dbraw/zinc/56/24/46/668562446.db2.gz WRVOOMJXIFNBHQ-GRYCIOLGSA-N 1 0 326.397 -1.578 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001023706705 668562210 /nfs/dbraw/zinc/56/22/10/668562210.db2.gz WRVOOMJXIFNBHQ-IJLUTSLNSA-N 1 0 326.397 -1.578 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001023729616 668563432 /nfs/dbraw/zinc/56/34/32/668563432.db2.gz OWXGWIYDYPFBPW-KBPBESRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001023729617 668563238 /nfs/dbraw/zinc/56/32/38/668563238.db2.gz OWXGWIYDYPFBPW-KGLIPLIRSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001023729618 668563580 /nfs/dbraw/zinc/56/35/80/668563580.db2.gz OWXGWIYDYPFBPW-UONOGXRCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001023729620 668563557 /nfs/dbraw/zinc/56/35/57/668563557.db2.gz OWXGWIYDYPFBPW-ZIAGYGMSSA-N 1 0 340.424 -1.192 20 0 EAADRO Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023735991 668564431 /nfs/dbraw/zinc/56/44/31/668564431.db2.gz VCOMDOGPWCBYJZ-HZSPNIEDSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023735992 668564479 /nfs/dbraw/zinc/56/44/79/668564479.db2.gz VCOMDOGPWCBYJZ-MGPQQGTHSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023736749 668564911 /nfs/dbraw/zinc/56/49/11/668564911.db2.gz KTESUXQNJPEJTM-ZIAGYGMSSA-N 1 0 347.419 -1.025 20 0 EAADRO Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023737446 668564951 /nfs/dbraw/zinc/56/49/51/668564951.db2.gz CULVQIOPOZXTSI-BFHYXJOUSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023737447 668564996 /nfs/dbraw/zinc/56/49/96/668564996.db2.gz CULVQIOPOZXTSI-MGPQQGTHSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023738345 668565494 /nfs/dbraw/zinc/56/54/94/668565494.db2.gz YJHOSBAHTRMCKD-ZIAGYGMSSA-N 1 0 335.408 -1.025 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001023738521 668565262 /nfs/dbraw/zinc/56/52/62/668565262.db2.gz BCPKLSPMIADXBH-GHMZBOCLSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001023738522 668565508 /nfs/dbraw/zinc/56/55/08/668565508.db2.gz BCPKLSPMIADXBH-MNOVXSKESA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001023738523 668565523 /nfs/dbraw/zinc/56/55/23/668565523.db2.gz BCPKLSPMIADXBH-QWRGUYRKSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001023738524 668565338 /nfs/dbraw/zinc/56/53/38/668565338.db2.gz BCPKLSPMIADXBH-WDEREUQCSA-N 1 0 346.391 -1.094 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738865 668565308 /nfs/dbraw/zinc/56/53/08/668565308.db2.gz JQSHJCZJKCONMJ-NXEZZACHSA-N 1 0 334.380 -1.109 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738866 668565530 /nfs/dbraw/zinc/56/55/30/668565530.db2.gz JQSHJCZJKCONMJ-UWVGGRQHSA-N 1 0 334.380 -1.109 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738867 668565559 /nfs/dbraw/zinc/56/55/59/668565559.db2.gz JQSHJCZJKCONMJ-VHSXEESVSA-N 1 0 334.380 -1.109 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738868 668565384 /nfs/dbraw/zinc/56/53/84/668565384.db2.gz JQSHJCZJKCONMJ-ZJUUUORDSA-N 1 0 334.380 -1.109 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742223 668565793 /nfs/dbraw/zinc/56/57/93/668565793.db2.gz FFWRWWWZFBJAKS-NXEZZACHSA-N 1 0 337.380 -1.199 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742224 668565848 /nfs/dbraw/zinc/56/58/48/668565848.db2.gz FFWRWWWZFBJAKS-UWVGGRQHSA-N 1 0 337.380 -1.199 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742226 668565788 /nfs/dbraw/zinc/56/57/88/668565788.db2.gz FFWRWWWZFBJAKS-VHSXEESVSA-N 1 0 337.380 -1.199 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742228 668565806 /nfs/dbraw/zinc/56/58/06/668565806.db2.gz FFWRWWWZFBJAKS-ZJUUUORDSA-N 1 0 337.380 -1.199 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742540 668565771 /nfs/dbraw/zinc/56/57/71/668565771.db2.gz JGKPFPJQSPGTFK-JTQLQIEISA-N 1 0 337.380 -1.326 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742541 668565876 /nfs/dbraw/zinc/56/58/76/668565876.db2.gz JGKPFPJQSPGTFK-SNVBAGLBSA-N 1 0 337.380 -1.326 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753718 668567589 /nfs/dbraw/zinc/56/75/89/668567589.db2.gz MWMDNZSDGXFNDW-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753719 668567547 /nfs/dbraw/zinc/56/75/47/668567547.db2.gz MWMDNZSDGXFNDW-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753720 668567617 /nfs/dbraw/zinc/56/76/17/668567617.db2.gz MWMDNZSDGXFNDW-RYUDHWBXSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753721 668567508 /nfs/dbraw/zinc/56/75/08/668567508.db2.gz MWMDNZSDGXFNDW-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001023758458 668567956 /nfs/dbraw/zinc/56/79/56/668567956.db2.gz WXPGXADHZICTAF-KBPBESRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001023758459 668568110 /nfs/dbraw/zinc/56/81/10/668568110.db2.gz WXPGXADHZICTAF-KGLIPLIRSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001023758460 668568022 /nfs/dbraw/zinc/56/80/22/668568022.db2.gz WXPGXADHZICTAF-UONOGXRCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001023758461 668568231 /nfs/dbraw/zinc/56/82/31/668568231.db2.gz WXPGXADHZICTAF-ZIAGYGMSSA-N 1 0 340.424 -1.192 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@H+](CCO)C2)nn1 ZINC001023763697 668568457 /nfs/dbraw/zinc/56/84/57/668568457.db2.gz YEANVLIMKQIEHY-GFCCVEGCSA-N 1 0 338.412 -1.200 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)nn1 ZINC001023763698 668568724 /nfs/dbraw/zinc/56/87/24/668568724.db2.gz YEANVLIMKQIEHY-LBPRGKRZSA-N 1 0 338.412 -1.200 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2O)C1 ZINC001023782001 668571390 /nfs/dbraw/zinc/57/13/90/668571390.db2.gz AFLDBNQWEVGMKB-JHJVBQTASA-N 1 0 336.396 -1.692 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2O)C1 ZINC001023782002 668571033 /nfs/dbraw/zinc/57/10/33/668571033.db2.gz AFLDBNQWEVGMKB-YNEHKIRRSA-N 1 0 336.396 -1.692 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2O)C1 ZINC001023782032 668571294 /nfs/dbraw/zinc/57/12/94/668571294.db2.gz BGBCSSVDXRUOAF-BFHYXJOUSA-N 1 0 340.424 -2.042 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2O)C1 ZINC001023782033 668571365 /nfs/dbraw/zinc/57/13/65/668571365.db2.gz BGBCSSVDXRUOAF-MGPQQGTHSA-N 1 0 340.424 -2.042 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001023782034 668571243 /nfs/dbraw/zinc/57/12/43/668571243.db2.gz BGUPKMNEWRRJET-GMTAPVOTSA-N 1 0 338.364 -1.064 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001023782035 668571166 /nfs/dbraw/zinc/57/11/66/668571166.db2.gz BGUPKMNEWRRJET-HBNTYKKESA-N 1 0 338.364 -1.064 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3OCCCO3)C[C@H]2O)C1 ZINC001023782064 668571140 /nfs/dbraw/zinc/57/11/40/668571140.db2.gz CAEPTDDABVUKLM-JHJVBQTASA-N 1 0 341.408 -1.221 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3OCCCO3)C[C@H]2O)C1 ZINC001023782065 668571127 /nfs/dbraw/zinc/57/11/27/668571127.db2.gz CAEPTDDABVUKLM-YNEHKIRRSA-N 1 0 341.408 -1.221 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023782066 668571088 /nfs/dbraw/zinc/57/10/88/668571088.db2.gz CAIJUEOZVQUZDD-IACUBPJLSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023782067 668571108 /nfs/dbraw/zinc/57/11/08/668571108.db2.gz CAIJUEOZVQUZDD-MRVWCRGKSA-N 1 0 335.408 -1.398 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2O)C1 ZINC001023782104 668571021 /nfs/dbraw/zinc/57/10/21/668571021.db2.gz DDYGWLJUDAIGSW-MVWJERBFSA-N 1 0 335.364 -1.565 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2O)C1 ZINC001023782105 668571437 /nfs/dbraw/zinc/57/14/37/668571437.db2.gz DDYGWLJUDAIGSW-YUSALJHKSA-N 1 0 335.364 -1.565 20 0 EAADRO Cc1cn(C)nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023782114 668571118 /nfs/dbraw/zinc/57/11/18/668571118.db2.gz DSJRGLLUMQQAMO-JHJVBQTASA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cn(C)nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023782115 668571380 /nfs/dbraw/zinc/57/13/80/668571380.db2.gz DSJRGLLUMQQAMO-YNEHKIRRSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001023782131 668571323 /nfs/dbraw/zinc/57/13/23/668571323.db2.gz FCSKATOBMNXITK-IACUBPJLSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001023782132 668571058 /nfs/dbraw/zinc/57/10/58/668571058.db2.gz FCSKATOBMNXITK-MRVWCRGKSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2O)C1 ZINC001023782133 668571072 /nfs/dbraw/zinc/57/10/72/668571072.db2.gz FCSWQJRWQCJABO-IJLUTSLNSA-N 1 0 325.365 -1.486 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2O)C1 ZINC001023782134 668571134 /nfs/dbraw/zinc/57/11/34/668571134.db2.gz FCSWQJRWQCJABO-QJPTWQEYSA-N 1 0 325.365 -1.486 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023782137 668571255 /nfs/dbraw/zinc/57/12/55/668571255.db2.gz FEPFQSJWSWHGKN-CYZMBNFOSA-N 1 0 336.396 -1.449 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023782138 668571101 /nfs/dbraw/zinc/57/11/01/668571101.db2.gz FEPFQSJWSWHGKN-RAIGVLPGSA-N 1 0 336.396 -1.449 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]n1 ZINC001023782148 668571016 /nfs/dbraw/zinc/57/10/16/668571016.db2.gz FMIACZFKZDHGAI-IACUBPJLSA-N 1 0 335.408 -1.100 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]n1 ZINC001023782149 668571196 /nfs/dbraw/zinc/57/11/96/668571196.db2.gz FMIACZFKZDHGAI-MRVWCRGKSA-N 1 0 335.408 -1.100 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@H]2O)C1 ZINC001023782195 668571261 /nfs/dbraw/zinc/57/12/61/668571261.db2.gz HBQNBXMEKBVUGC-JHJVBQTASA-N 1 0 325.409 -1.069 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@H]2O)C1 ZINC001023782196 668571338 /nfs/dbraw/zinc/57/13/38/668571338.db2.gz HBQNBXMEKBVUGC-YNEHKIRRSA-N 1 0 325.409 -1.069 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023782198 668571375 /nfs/dbraw/zinc/57/13/75/668571375.db2.gz HDUWUXFYZGZKOF-IACUBPJLSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023782199 668571275 /nfs/dbraw/zinc/57/12/75/668571275.db2.gz HDUWUXFYZGZKOF-MRVWCRGKSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023782212 668571301 /nfs/dbraw/zinc/57/13/01/668571301.db2.gz HOHAMSAYYSUHMF-BFHYXJOUSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023782213 668571212 /nfs/dbraw/zinc/57/12/12/668571212.db2.gz HOHAMSAYYSUHMF-MGPQQGTHSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1N ZINC001023782220 668571147 /nfs/dbraw/zinc/57/11/47/668571147.db2.gz HRYNPKRTNPDHOQ-MVWJERBFSA-N 1 0 336.396 -1.745 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1N ZINC001023782221 668571330 /nfs/dbraw/zinc/57/13/30/668571330.db2.gz HRYNPKRTNPDHOQ-YUSALJHKSA-N 1 0 336.396 -1.745 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnns3)C[C@H]2O)C1 ZINC001023782268 668571248 /nfs/dbraw/zinc/57/12/48/668571248.db2.gz JRFAUYHWZOSNHM-IVZWLZJFSA-N 1 0 325.394 -1.209 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnns3)C[C@H]2O)C1 ZINC001023782269 668571063 /nfs/dbraw/zinc/57/10/63/668571063.db2.gz JRFAUYHWZOSNHM-OPRDCNLKSA-N 1 0 325.394 -1.209 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2O)C1 ZINC001023782301 668571414 /nfs/dbraw/zinc/57/14/14/668571414.db2.gz KCKWPVLGOCHYEN-BFHYXJOUSA-N 1 0 334.376 -1.427 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2O)C1 ZINC001023782302 668571397 /nfs/dbraw/zinc/57/13/97/668571397.db2.gz KCKWPVLGOCHYEN-MGPQQGTHSA-N 1 0 334.376 -1.427 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC001023782310 668571027 /nfs/dbraw/zinc/57/10/27/668571027.db2.gz KGXMEUFSIZMLMG-IACUBPJLSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC001023782311 668571357 /nfs/dbraw/zinc/57/13/57/668571357.db2.gz KGXMEUFSIZMLMG-MRVWCRGKSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nnn1C ZINC001023782316 668571185 /nfs/dbraw/zinc/57/11/85/668571185.db2.gz KJONUYQBJAHGAD-IJLUTSLNSA-N 1 0 336.396 -1.623 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nnn1C ZINC001023782317 668571347 /nfs/dbraw/zinc/57/13/47/668571347.db2.gz KJONUYQBJAHGAD-QJPTWQEYSA-N 1 0 336.396 -1.623 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2O)C1 ZINC001023782320 668571173 /nfs/dbraw/zinc/57/11/73/668571173.db2.gz KMBCIEYQPXLTIK-JHJVBQTASA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2O)C1 ZINC001023782321 668571309 /nfs/dbraw/zinc/57/13/09/668571309.db2.gz KMBCIEYQPXLTIK-YNEHKIRRSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001023782322 668571427 /nfs/dbraw/zinc/57/14/27/668571427.db2.gz KMCPIBVAHYHKIZ-OUCADQQQSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001023782323 668571220 /nfs/dbraw/zinc/57/12/20/668571220.db2.gz KMCPIBVAHYHKIZ-YRGRVCCFSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2O)C1 ZINC001023782363 668571407 /nfs/dbraw/zinc/57/14/07/668571407.db2.gz LPFQJKLCAZFRCD-JHJVBQTASA-N 1 0 338.408 -1.752 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2O)C1 ZINC001023782364 668571158 /nfs/dbraw/zinc/57/11/58/668571158.db2.gz LPFQJKLCAZFRCD-YNEHKIRRSA-N 1 0 338.408 -1.752 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2O)C1 ZINC001023782396 668571269 /nfs/dbraw/zinc/57/12/69/668571269.db2.gz MQUQXBNRAABAQJ-JHJVBQTASA-N 1 0 336.396 -1.692 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2O)C1 ZINC001023782397 668571236 /nfs/dbraw/zinc/57/12/36/668571236.db2.gz MQUQXBNRAABAQJ-YNEHKIRRSA-N 1 0 336.396 -1.692 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001023782426 668571000 /nfs/dbraw/zinc/57/10/00/668571000.db2.gz NKOUBPMSIVCHTE-IJLUTSLNSA-N 1 0 337.380 -1.440 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001023782427 668571864 /nfs/dbraw/zinc/57/18/64/668571864.db2.gz NKOUBPMSIVCHTE-QJPTWQEYSA-N 1 0 337.380 -1.440 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cncnc3)C[C@H]2O)C1 ZINC001023782448 668571657 /nfs/dbraw/zinc/57/16/57/668571657.db2.gz NZRUZFZNIOIANU-BFHYXJOUSA-N 1 0 333.392 -1.341 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cncnc3)C[C@H]2O)C1 ZINC001023782449 668571796 /nfs/dbraw/zinc/57/17/96/668571796.db2.gz NZRUZFZNIOIANU-MGPQQGTHSA-N 1 0 333.392 -1.341 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2O)C1 ZINC001023782454 668571704 /nfs/dbraw/zinc/57/17/04/668571704.db2.gz OOZZTNNUSVPLJQ-GMTAPVOTSA-N 1 0 338.368 -2.377 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2O)C1 ZINC001023782455 668571682 /nfs/dbraw/zinc/57/16/82/668571682.db2.gz OOZZTNNUSVPLJQ-HBNTYKKESA-N 1 0 338.368 -2.377 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001023782506 668571743 /nfs/dbraw/zinc/57/17/43/668571743.db2.gz QNXPZPFMAVKLPO-BFHYXJOUSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001023782507 668571668 /nfs/dbraw/zinc/57/16/68/668571668.db2.gz QNXPZPFMAVKLPO-MGPQQGTHSA-N 1 0 335.408 -1.169 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]2O)C1 ZINC001023782512 668571899 /nfs/dbraw/zinc/57/18/99/668571899.db2.gz QWHHGOPSTQGSGI-IJLUTSLNSA-N 1 0 336.396 -1.623 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]2O)C1 ZINC001023782513 668571809 /nfs/dbraw/zinc/57/18/09/668571809.db2.gz QWHHGOPSTQGSGI-QJPTWQEYSA-N 1 0 336.396 -1.623 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cccn3)C[C@H]2O)C1 ZINC001023782536 668571846 /nfs/dbraw/zinc/57/18/46/668571846.db2.gz RQWMUARBYDZEBY-BFHYXJOUSA-N 1 0 335.408 -1.087 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3cccn3)C[C@H]2O)C1 ZINC001023782537 668571969 /nfs/dbraw/zinc/57/19/69/668571969.db2.gz RQWMUARBYDZEBY-MGPQQGTHSA-N 1 0 335.408 -1.087 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001023782596 668571608 /nfs/dbraw/zinc/57/16/08/668571608.db2.gz USGFZBDGLSRSNX-IJLUTSLNSA-N 1 0 336.396 -1.705 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001023782597 668571958 /nfs/dbraw/zinc/57/19/58/668571958.db2.gz USGFZBDGLSRSNX-QJPTWQEYSA-N 1 0 336.396 -1.705 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001023782614 668571686 /nfs/dbraw/zinc/57/16/86/668571686.db2.gz VELLIVNHCMDHRT-IACUBPJLSA-N 1 0 338.408 -1.896 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001023782615 668571626 /nfs/dbraw/zinc/57/16/26/668571626.db2.gz VELLIVNHCMDHRT-MRVWCRGKSA-N 1 0 338.408 -1.896 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnsn3)C[C@H]2O)C1 ZINC001023782619 668571738 /nfs/dbraw/zinc/57/17/38/668571738.db2.gz VJAKDTQRXREJFG-FBIMIBRVSA-N 1 0 325.394 -1.209 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnsn3)C[C@H]2O)C1 ZINC001023782620 668571603 /nfs/dbraw/zinc/57/16/03/668571603.db2.gz VJAKDTQRXREJFG-JMJZKYOTSA-N 1 0 325.394 -1.209 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023782640 668571939 /nfs/dbraw/zinc/57/19/39/668571939.db2.gz VRTBJGNFSXIATD-DMDPSCGWSA-N 1 0 336.396 -1.449 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023782641 668571947 /nfs/dbraw/zinc/57/19/47/668571947.db2.gz VRTBJGNFSXIATD-NQBHXWOUSA-N 1 0 336.396 -1.449 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001023782644 668571879 /nfs/dbraw/zinc/57/18/79/668571879.db2.gz VUKGZGYXXCSXIE-IACUBPJLSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001023782645 668571659 /nfs/dbraw/zinc/57/16/59/668571659.db2.gz VUKGZGYXXCSXIE-MRVWCRGKSA-N 1 0 348.403 -1.362 20 0 EAADRO Cc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023782684 668571920 /nfs/dbraw/zinc/57/19/20/668571920.db2.gz WWHOCRWGTCXPGA-IACUBPJLSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023782685 668571950 /nfs/dbraw/zinc/57/19/50/668571950.db2.gz WWHOCRWGTCXPGA-MRVWCRGKSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2O)C1 ZINC001023782705 668571674 /nfs/dbraw/zinc/57/16/74/668571674.db2.gz XRVOKLJKBSVHDO-GMTAPVOTSA-N 1 0 333.410 -2.329 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2O)C1 ZINC001023782706 668571887 /nfs/dbraw/zinc/57/18/87/668571887.db2.gz XRVOKLJKBSVHDO-HBNTYKKESA-N 1 0 333.410 -2.329 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023782721 668571802 /nfs/dbraw/zinc/57/18/02/668571802.db2.gz YILPOCWCKVNDPE-GMTAPVOTSA-N 1 0 338.364 -1.769 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023782722 668571731 /nfs/dbraw/zinc/57/17/31/668571731.db2.gz YILPOCWCKVNDPE-HBNTYKKESA-N 1 0 338.364 -1.769 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2O)C1 ZINC001023782742 668571618 /nfs/dbraw/zinc/57/16/18/668571618.db2.gz YXTCSLHELTYAAX-GMTAPVOTSA-N 1 0 334.380 -1.688 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2O)C1 ZINC001023782743 668571759 /nfs/dbraw/zinc/57/17/59/668571759.db2.gz YXTCSLHELTYAAX-HBNTYKKESA-N 1 0 334.380 -1.688 20 0 EAADRO Cn1ccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023782780 668571980 /nfs/dbraw/zinc/57/19/80/668571980.db2.gz AAQFPELQYQHJAP-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023782781 668571696 /nfs/dbraw/zinc/57/16/96/668571696.db2.gz AAQFPELQYQHJAP-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023782833 668571782 /nfs/dbraw/zinc/57/17/82/668571782.db2.gz BAEZPOMHLZOOGO-IACUBPJLSA-N 1 0 335.408 -1.100 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023782835 668571710 /nfs/dbraw/zinc/57/17/10/668571710.db2.gz BAEZPOMHLZOOGO-MRVWCRGKSA-N 1 0 335.408 -1.100 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023782842 668571775 /nfs/dbraw/zinc/57/17/75/668571775.db2.gz BCQWWZOSRAODFO-DMDPSCGWSA-N 1 0 336.396 -1.449 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023782844 668571827 /nfs/dbraw/zinc/57/18/27/668571827.db2.gz BCQWWZOSRAODFO-NQBHXWOUSA-N 1 0 336.396 -1.449 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2O)C1 ZINC001023782858 668571649 /nfs/dbraw/zinc/57/16/49/668571649.db2.gz BJIJJIUZPTXUBR-OASPWFOLSA-N 1 0 349.391 -1.633 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2O)C1 ZINC001023782860 668571637 /nfs/dbraw/zinc/57/16/37/668571637.db2.gz BJIJJIUZPTXUBR-ZWKOPEQDSA-N 1 0 349.391 -1.633 20 0 EAADRO Cn1ccnc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783258 668572431 /nfs/dbraw/zinc/57/24/31/668572431.db2.gz GDIVIGIFPINMDC-BFHYXJOUSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccnc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783260 668572198 /nfs/dbraw/zinc/57/21/98/668572198.db2.gz GDIVIGIFPINMDC-MGPQQGTHSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783337 668572465 /nfs/dbraw/zinc/57/24/65/668572465.db2.gz GWBAJLYSTLTBPZ-OUCADQQQSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783340 668572334 /nfs/dbraw/zinc/57/23/34/668572334.db2.gz GWBAJLYSTLTBPZ-YRGRVCCFSA-N 1 0 348.403 -1.362 20 0 EAADRO Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c[nH]1 ZINC001023783368 668572415 /nfs/dbraw/zinc/57/24/15/668572415.db2.gz HINITQBIFGEWFO-NJZAAPMLSA-N 1 0 348.403 -1.063 20 0 EAADRO Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c[nH]1 ZINC001023783369 668572269 /nfs/dbraw/zinc/57/22/69/668572269.db2.gz HINITQBIFGEWFO-UXIGCNINSA-N 1 0 348.403 -1.063 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4cc[nH]c34)C[C@H]2O)C1 ZINC001023783401 668572227 /nfs/dbraw/zinc/57/22/27/668572227.db2.gz HWHOWYRXDPMUPZ-CYZMBNFOSA-N 1 0 346.391 -1.084 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4cc[nH]c34)C[C@H]2O)C1 ZINC001023783402 668572218 /nfs/dbraw/zinc/57/22/18/668572218.db2.gz HWHOWYRXDPMUPZ-RAIGVLPGSA-N 1 0 346.391 -1.084 20 0 EAADRO Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001023783668 668572384 /nfs/dbraw/zinc/57/23/84/668572384.db2.gz LWMOCBIHZQCLJU-BPLDGKMQSA-N 1 0 349.435 -1.089 20 0 EAADRO Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001023783670 668572327 /nfs/dbraw/zinc/57/23/27/668572327.db2.gz LWMOCBIHZQCLJU-NWANDNLSSA-N 1 0 349.435 -1.089 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001023783672 668572255 /nfs/dbraw/zinc/57/22/55/668572255.db2.gz LWXLOSXWHDWXJK-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001023783673 668572190 /nfs/dbraw/zinc/57/21/90/668572190.db2.gz LWXLOSXWHDWXJK-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2O)C1 ZINC001023783675 668572459 /nfs/dbraw/zinc/57/24/59/668572459.db2.gz LWXYBMOQBDVVOA-MVWJERBFSA-N 1 0 335.364 -1.977 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2O)C1 ZINC001023783677 668572284 /nfs/dbraw/zinc/57/22/84/668572284.db2.gz LWXYBMOQBDVVOA-YUSALJHKSA-N 1 0 335.364 -1.977 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncc1=O ZINC001023783687 668572423 /nfs/dbraw/zinc/57/24/23/668572423.db2.gz MFZPFSCCDKBAHY-DMDPSCGWSA-N 1 0 349.391 -1.967 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncc1=O ZINC001023783691 668572261 /nfs/dbraw/zinc/57/22/61/668572261.db2.gz MFZPFSCCDKBAHY-NQBHXWOUSA-N 1 0 349.391 -1.967 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023783781 668572176 /nfs/dbraw/zinc/57/21/76/668572176.db2.gz NHIKLYDQCPHFRD-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023783782 668572450 /nfs/dbraw/zinc/57/24/50/668572450.db2.gz NHIKLYDQCPHFRD-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783882 668572530 /nfs/dbraw/zinc/57/25/30/668572530.db2.gz OTBUGIUKFCAUBE-IACUBPJLSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783884 668572306 /nfs/dbraw/zinc/57/23/06/668572306.db2.gz OTBUGIUKFCAUBE-MRVWCRGKSA-N 1 0 335.408 -1.398 20 0 EAADRO Cn1cncc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783925 668572349 /nfs/dbraw/zinc/57/23/49/668572349.db2.gz PGLAJVWVLLXYPT-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cncc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783927 668572290 /nfs/dbraw/zinc/57/22/90/668572290.db2.gz PGLAJVWVLLXYPT-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023784085 668572939 /nfs/dbraw/zinc/57/29/39/668572939.db2.gz RFWJYFMOPKPVLS-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023784087 668572781 /nfs/dbraw/zinc/57/27/81/668572781.db2.gz RFWJYFMOPKPVLS-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2O)C1 ZINC001023784089 668573035 /nfs/dbraw/zinc/57/30/35/668573035.db2.gz RHKCPODDRIBMGI-FBIMIBRVSA-N 1 0 325.344 -1.198 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2O)C1 ZINC001023784092 668572980 /nfs/dbraw/zinc/57/29/80/668572980.db2.gz RHKCPODDRIBMGI-JMJZKYOTSA-N 1 0 325.344 -1.198 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1=O ZINC001023784201 668572931 /nfs/dbraw/zinc/57/29/31/668572931.db2.gz SMQGGXKOIHQSRZ-IACUBPJLSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1=O ZINC001023784203 668572723 /nfs/dbraw/zinc/57/27/23/668572723.db2.gz SMQGGXKOIHQSRZ-MRVWCRGKSA-N 1 0 348.403 -1.362 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023784235 668573012 /nfs/dbraw/zinc/57/30/12/668573012.db2.gz SVYCKIKAUDWDFX-CYZMBNFOSA-N 1 0 337.380 -1.440 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023784237 668572874 /nfs/dbraw/zinc/57/28/74/668572874.db2.gz SVYCKIKAUDWDFX-RAIGVLPGSA-N 1 0 337.380 -1.440 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001023784267 668572967 /nfs/dbraw/zinc/57/29/67/668572967.db2.gz UFMQKRXPRBVGMR-NJZAAPMLSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001023784269 668573018 /nfs/dbraw/zinc/57/30/18/668573018.db2.gz UFMQKRXPRBVGMR-UXIGCNINSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1nccc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023784429 668572987 /nfs/dbraw/zinc/57/29/87/668572987.db2.gz VZIRVNKJJFHMHT-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1nccc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023784431 668573026 /nfs/dbraw/zinc/57/30/26/668573026.db2.gz VZIRVNKJJFHMHT-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC001023784439 668572651 /nfs/dbraw/zinc/57/26/51/668572651.db2.gz WFHRSLPYEQDTBV-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC001023784442 668572674 /nfs/dbraw/zinc/57/26/74/668572674.db2.gz WFHRSLPYEQDTBV-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]c1=O ZINC001023784471 668572756 /nfs/dbraw/zinc/57/27/56/668572756.db2.gz WSATXUWCTSQKGJ-CKYFFXLPSA-N 1 0 337.380 -1.621 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]c1=O ZINC001023784473 668572682 /nfs/dbraw/zinc/57/26/82/668572682.db2.gz WSATXUWCTSQKGJ-HOSYDEDBSA-N 1 0 337.380 -1.621 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023784506 668573032 /nfs/dbraw/zinc/57/30/32/668573032.db2.gz XNIICQDNOATLCB-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023784508 668573003 /nfs/dbraw/zinc/57/30/03/668573003.db2.gz XNIICQDNOATLCB-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2O)C1 ZINC001023784538 668572910 /nfs/dbraw/zinc/57/29/10/668572910.db2.gz YFWVXKLGKNOCMP-MVWJERBFSA-N 1 0 345.421 -2.329 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2O)C1 ZINC001023784540 668572961 /nfs/dbraw/zinc/57/29/61/668572961.db2.gz YFWVXKLGKNOCMP-YUSALJHKSA-N 1 0 345.421 -2.329 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]2O)C1 ZINC001023784611 668572854 /nfs/dbraw/zinc/57/28/54/668572854.db2.gz ZUEQYLJJPWASGO-IJLUTSLNSA-N 1 0 337.384 -2.297 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]2O)C1 ZINC001023784612 668572973 /nfs/dbraw/zinc/57/29/73/668572973.db2.gz ZUEQYLJJPWASGO-QJPTWQEYSA-N 1 0 337.384 -2.297 20 0 EAADRO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)n1 ZINC001023785222 668571752 /nfs/dbraw/zinc/57/17/52/668571752.db2.gz GXOIASKGCRYYHT-CHWSQXEVSA-N 1 0 333.392 -1.183 20 0 EAADRO Cc1ncn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023786865 668573447 /nfs/dbraw/zinc/57/34/47/668573447.db2.gz CCRJOPXVLNYCHN-JHJVBQTASA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1ncn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023786867 668573528 /nfs/dbraw/zinc/57/35/28/668573528.db2.gz CCRJOPXVLNYCHN-YNEHKIRRSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]2O)C1 ZINC001023786896 668573472 /nfs/dbraw/zinc/57/34/72/668573472.db2.gz CNECKUOMHQRFHI-BFHYXJOUSA-N 1 0 335.408 -1.087 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]2O)C1 ZINC001023786897 668573400 /nfs/dbraw/zinc/57/34/00/668573400.db2.gz CNECKUOMHQRFHI-MGPQQGTHSA-N 1 0 335.408 -1.087 20 0 EAADRO Cn1cc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023787051 668573432 /nfs/dbraw/zinc/57/34/32/668573432.db2.gz GDPVAQMRLNZNOH-RBSFLKMASA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023787053 668573898 /nfs/dbraw/zinc/57/38/98/668573898.db2.gz GDPVAQMRLNZNOH-RRFJBIMHSA-N 1 0 349.435 -1.008 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023787130 668573961 /nfs/dbraw/zinc/57/39/61/668573961.db2.gz HIAJDIUWOYLMDF-BFHYXJOUSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023787131 668574045 /nfs/dbraw/zinc/57/40/45/668574045.db2.gz HIAJDIUWOYLMDF-MGPQQGTHSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023787136 668573937 /nfs/dbraw/zinc/57/39/37/668573937.db2.gz HMLJJIKSKVWLLJ-BFHYXJOUSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023787137 668573984 /nfs/dbraw/zinc/57/39/84/668573984.db2.gz HMLJJIKSKVWLLJ-MGPQQGTHSA-N 1 0 335.408 -1.169 20 0 EAADRO Cn1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c[nH]c1=O ZINC001023787146 668573882 /nfs/dbraw/zinc/57/38/82/668573882.db2.gz HXCUPWINXZKRAQ-CKYFFXLPSA-N 1 0 337.380 -1.621 20 0 EAADRO Cn1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c[nH]c1=O ZINC001023787149 668573870 /nfs/dbraw/zinc/57/38/70/668573870.db2.gz HXCUPWINXZKRAQ-HOSYDEDBSA-N 1 0 337.380 -1.621 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023787181 668574113 /nfs/dbraw/zinc/57/41/13/668574113.db2.gz IMBXKIZWJMFTSR-GMTAPVOTSA-N 1 0 337.380 -1.323 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023787183 668573903 /nfs/dbraw/zinc/57/39/03/668573903.db2.gz IMBXKIZWJMFTSR-HBNTYKKESA-N 1 0 337.380 -1.323 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccc(=O)[nH]c3)C[C@H]2O)C1 ZINC001023787202 668573729 /nfs/dbraw/zinc/57/37/29/668573729.db2.gz ISEWRYNCKCOPFP-BFHYXJOUSA-N 1 0 348.403 -1.031 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccc(=O)[nH]c3)C[C@H]2O)C1 ZINC001023787203 668574141 /nfs/dbraw/zinc/57/41/41/668574141.db2.gz ISEWRYNCKCOPFP-MGPQQGTHSA-N 1 0 348.403 -1.031 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2O)C1 ZINC001023787405 668574118 /nfs/dbraw/zinc/57/41/18/668574118.db2.gz KSAKEBNZYOVKPP-OASPWFOLSA-N 1 0 349.391 -1.633 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2O)C1 ZINC001023787406 668573912 /nfs/dbraw/zinc/57/39/12/668573912.db2.gz KSAKEBNZYOVKPP-ZWKOPEQDSA-N 1 0 349.391 -1.633 20 0 EAADRO Cc1nn(C)cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023787430 668573760 /nfs/dbraw/zinc/57/37/60/668573760.db2.gz KXLBQRZMZMDESY-BPLDGKMQSA-N 1 0 349.435 -1.089 20 0 EAADRO Cc1nn(C)cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023787432 668573906 /nfs/dbraw/zinc/57/39/06/668573906.db2.gz KXLBQRZMZMDESY-NWANDNLSSA-N 1 0 349.435 -1.089 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2O)C1 ZINC001023787560 668573252 /nfs/dbraw/zinc/57/32/52/668573252.db2.gz LUZWDGNKOJPJKZ-OASPWFOLSA-N 1 0 349.391 -1.633 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2O)C1 ZINC001023787561 668573427 /nfs/dbraw/zinc/57/34/27/668573427.db2.gz LUZWDGNKOJPJKZ-ZWKOPEQDSA-N 1 0 349.391 -1.633 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2O)C1 ZINC001023787638 668573270 /nfs/dbraw/zinc/57/32/70/668573270.db2.gz MYDBCAGUOZVCNU-CYZMBNFOSA-N 1 0 336.396 -1.623 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2O)C1 ZINC001023787639 668573512 /nfs/dbraw/zinc/57/35/12/668573512.db2.gz MYDBCAGUOZVCNU-RAIGVLPGSA-N 1 0 336.396 -1.623 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2O)C1 ZINC001023787641 668573358 /nfs/dbraw/zinc/57/33/58/668573358.db2.gz NAGDISUXIJWULD-BFHYXJOUSA-N 1 0 348.403 -1.512 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2O)C1 ZINC001023787643 668573464 /nfs/dbraw/zinc/57/34/64/668573464.db2.gz NAGDISUXIJWULD-MGPQQGTHSA-N 1 0 348.403 -1.512 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001023787768 668573380 /nfs/dbraw/zinc/57/33/80/668573380.db2.gz POFQJBVSUWJTDX-BPLDGKMQSA-N 1 0 349.435 -1.089 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001023787769 668573439 /nfs/dbraw/zinc/57/34/39/668573439.db2.gz POFQJBVSUWJTDX-NWANDNLSSA-N 1 0 349.435 -1.089 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2O)C1 ZINC001023787776 668573549 /nfs/dbraw/zinc/57/35/49/668573549.db2.gz PSWIVCSLBSMTMU-FXPVBKGRSA-N 1 0 325.394 -1.209 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2O)C1 ZINC001023787777 668573312 /nfs/dbraw/zinc/57/33/12/668573312.db2.gz PSWIVCSLBSMTMU-IQJOONFLSA-N 1 0 325.394 -1.209 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2O)C1 ZINC001023787993 668574105 /nfs/dbraw/zinc/57/41/05/668574105.db2.gz RMTGCFYYMWVITL-MVWJERBFSA-N 1 0 335.364 -1.565 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2O)C1 ZINC001023787995 668573705 /nfs/dbraw/zinc/57/37/05/668573705.db2.gz RMTGCFYYMWVITL-YUSALJHKSA-N 1 0 335.364 -1.565 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2O)C1 ZINC001023788026 668573999 /nfs/dbraw/zinc/57/39/99/668573999.db2.gz SDKCXTVPARWCNP-BFHYXJOUSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2O)C1 ZINC001023788028 668573721 /nfs/dbraw/zinc/57/37/21/668573721.db2.gz SDKCXTVPARWCNP-MGPQQGTHSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023788049 668574077 /nfs/dbraw/zinc/57/40/77/668574077.db2.gz SJRAFIHPXJOUAG-BFHYXJOUSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023788050 668574136 /nfs/dbraw/zinc/57/41/36/668574136.db2.gz SJRAFIHPXJOUAG-MGPQQGTHSA-N 1 0 335.408 -1.169 20 0 EAADRO COc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023788096 668573928 /nfs/dbraw/zinc/57/39/28/668573928.db2.gz SZACSLSTQWSKDB-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023788097 668574064 /nfs/dbraw/zinc/57/40/64/668574064.db2.gz SZACSLSTQWSKDB-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)C[C@H]2O)C1 ZINC001023788098 668573920 /nfs/dbraw/zinc/57/39/20/668573920.db2.gz SZMUSOBKQQDUNP-CYZMBNFOSA-N 1 0 349.391 -1.471 20 0 EAADRO Cc1cnn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023788115 668574072 /nfs/dbraw/zinc/57/40/72/668574072.db2.gz AJCQTGZILNQTJT-JHJVBQTASA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1cnn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023788116 668574127 /nfs/dbraw/zinc/57/41/27/668574127.db2.gz AJCQTGZILNQTJT-YNEHKIRRSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)C[C@H]2O)C1 ZINC001023788176 668573804 /nfs/dbraw/zinc/57/38/04/668573804.db2.gz SZMUSOBKQQDUNP-RAIGVLPGSA-N 1 0 349.391 -1.471 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2O)C1 ZINC001023788523 668573853 /nfs/dbraw/zinc/57/38/53/668573853.db2.gz WGICGKWWAVRLQO-MVWJERBFSA-N 1 0 335.364 -1.565 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2O)C1 ZINC001023788526 668574054 /nfs/dbraw/zinc/57/40/54/668574054.db2.gz WGICGKWWAVRLQO-YUSALJHKSA-N 1 0 335.364 -1.565 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023788682 668573783 /nfs/dbraw/zinc/57/37/83/668573783.db2.gz XUSYEHXLAHRCIT-BFHYXJOUSA-N 1 0 335.408 -1.169 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023788684 668573828 /nfs/dbraw/zinc/57/38/28/668573828.db2.gz XUSYEHXLAHRCIT-MGPQQGTHSA-N 1 0 335.408 -1.169 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2O)C1 ZINC001023788686 668574019 /nfs/dbraw/zinc/57/40/19/668574019.db2.gz XUVXXTVURCVARE-GMTAPVOTSA-N 1 0 326.397 -1.863 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2O)C1 ZINC001023788688 668574095 /nfs/dbraw/zinc/57/40/95/668574095.db2.gz XUVXXTVURCVARE-HBNTYKKESA-N 1 0 326.397 -1.863 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001023788760 668573796 /nfs/dbraw/zinc/57/37/96/668573796.db2.gz YJQWWFGREQLUMF-CYZMBNFOSA-N 1 0 349.391 -1.967 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001023788762 668573890 /nfs/dbraw/zinc/57/38/90/668573890.db2.gz YJQWWFGREQLUMF-RAIGVLPGSA-N 1 0 349.391 -1.967 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2O)C1 ZINC001023788807 668574508 /nfs/dbraw/zinc/57/45/08/668574508.db2.gz YWGDWNMLOUBISL-IACUBPJLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2O)C1 ZINC001023788809 668574450 /nfs/dbraw/zinc/57/44/50/668574450.db2.gz YWGDWNMLOUBISL-MRVWCRGKSA-N 1 0 335.408 -1.018 20 0 EAADRO COc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)co1 ZINC001023788850 668574607 /nfs/dbraw/zinc/57/46/07/668574607.db2.gz ZJWSDCGLNNFNHD-CKYFFXLPSA-N 1 0 338.364 -1.064 20 0 EAADRO COc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)co1 ZINC001023788851 668574393 /nfs/dbraw/zinc/57/43/93/668574393.db2.gz ZJWSDCGLNNFNHD-HOSYDEDBSA-N 1 0 338.364 -1.064 20 0 EAADRO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1C ZINC001023789014 668573768 /nfs/dbraw/zinc/57/37/68/668573768.db2.gz NBBPPXLBJRUZSR-OUCADQQQSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1C ZINC001023789015 668573812 /nfs/dbraw/zinc/57/38/12/668573812.db2.gz NBBPPXLBJRUZSR-YRGRVCCFSA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023789051 668574614 /nfs/dbraw/zinc/57/46/14/668574614.db2.gz OUIYNRCAWAQSAB-IJLUTSLNSA-N 1 0 349.391 -1.256 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023789052 668574481 /nfs/dbraw/zinc/57/44/81/668574481.db2.gz OUIYNRCAWAQSAB-QJPTWQEYSA-N 1 0 349.391 -1.256 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023789065 668574358 /nfs/dbraw/zinc/57/43/58/668574358.db2.gz PIKQMDDZGCWKAQ-CYZMBNFOSA-N 1 0 349.391 -1.967 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023789066 668574581 /nfs/dbraw/zinc/57/45/81/668574581.db2.gz PIKQMDDZGCWKAQ-RAIGVLPGSA-N 1 0 349.391 -1.967 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023789216 668574348 /nfs/dbraw/zinc/57/43/48/668574348.db2.gz UGCJEFZMDNVXPE-BFHYXJOUSA-N 1 0 348.403 -1.362 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023789217 668574638 /nfs/dbraw/zinc/57/46/38/668574638.db2.gz UGCJEFZMDNVXPE-MGPQQGTHSA-N 1 0 348.403 -1.362 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O ZINC001023793175 668575130 /nfs/dbraw/zinc/57/51/30/668575130.db2.gz ABEPJQUQEMPADT-ZIAGYGMSSA-N 1 0 334.376 -1.283 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)nnn1C ZINC001023793188 668575208 /nfs/dbraw/zinc/57/52/08/668575208.db2.gz AMFYZSGCGDDIPV-VXGBXAGGSA-N 1 0 336.396 -1.479 20 0 EAADRO Nc1nccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793200 668575025 /nfs/dbraw/zinc/57/50/25/668575025.db2.gz AYHJRPLTVVKDJT-GHMZBOCLSA-N 1 0 334.380 -1.544 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001023793201 668574965 /nfs/dbraw/zinc/57/49/65/668574965.db2.gz AYKPAVXZIQJMBI-VXGBXAGGSA-N 1 0 336.396 -1.561 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1O ZINC001023793206 668575163 /nfs/dbraw/zinc/57/51/63/668575163.db2.gz BCVHNEYGKAEIQM-CHWSQXEVSA-N 1 0 336.396 -1.548 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001023793235 668575008 /nfs/dbraw/zinc/57/50/08/668575008.db2.gz CFTVGRVYMRPAMV-ZIAGYGMSSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O ZINC001023793236 668575033 /nfs/dbraw/zinc/57/50/33/668575033.db2.gz CGTLEESQVDXUMK-NXEZZACHSA-N 1 0 325.394 -1.065 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)ncc1=O ZINC001023793270 668575667 /nfs/dbraw/zinc/57/56/67/668575667.db2.gz CRZQLSFDYYWEHA-DGCLKSJQSA-N 1 0 349.391 -1.822 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1N ZINC001023793276 668575566 /nfs/dbraw/zinc/57/55/66/668575566.db2.gz CVXYBTMTLCMABN-VXGBXAGGSA-N 1 0 336.396 -1.600 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1O ZINC001023793292 668575485 /nfs/dbraw/zinc/57/54/85/668575485.db2.gz CYQVKCSESHPZDB-ZIAGYGMSSA-N 1 0 333.392 -1.197 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1O ZINC001023793313 668575510 /nfs/dbraw/zinc/57/55/10/668575510.db2.gz DGGGZKSTCBFBNP-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)nc1 ZINC001023793335 668575659 /nfs/dbraw/zinc/57/56/59/668575659.db2.gz DUYVEYNSJKEAHW-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793378 668575750 /nfs/dbraw/zinc/57/57/50/668575750.db2.gz FJNKNSDIASJDSA-ZIAGYGMSSA-N 1 0 335.408 -1.254 20 0 EAADRO CN1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793381 668575871 /nfs/dbraw/zinc/57/58/71/668575871.db2.gz FMMUODZGQOCJIA-MCIONIFRSA-N 1 0 340.424 -1.899 20 0 EAADRO CN1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793382 668575553 /nfs/dbraw/zinc/57/55/53/668575553.db2.gz FMMUODZGQOCJIA-MGPQQGTHSA-N 1 0 340.424 -1.899 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O ZINC001023793397 668575581 /nfs/dbraw/zinc/57/55/81/668575581.db2.gz FTSHCRFIJXWEQC-VXGBXAGGSA-N 1 0 325.365 -1.342 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1O ZINC001023793445 668575611 /nfs/dbraw/zinc/57/56/11/668575611.db2.gz GRWXGGXKIVSNES-CHWSQXEVSA-N 1 0 341.408 -1.077 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1O ZINC001023793511 668575810 /nfs/dbraw/zinc/57/58/10/668575810.db2.gz IFOJBPXXCMMCLB-CHWSQXEVSA-N 1 0 336.396 -1.548 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023793622 668575469 /nfs/dbraw/zinc/57/54/69/668575469.db2.gz KHSSYNYENPOUKQ-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001023793665 668575881 /nfs/dbraw/zinc/57/58/81/668575881.db2.gz LMMRYGZXUMMAIT-GHMZBOCLSA-N 1 0 338.364 -1.624 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793669 668575885 /nfs/dbraw/zinc/57/58/85/668575885.db2.gz LQDZMGHGTJZZHK-DGCLKSJQSA-N 1 0 336.396 -1.305 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793684 668575071 /nfs/dbraw/zinc/57/50/71/668575071.db2.gz METSYZCVGFPIMR-ZIAGYGMSSA-N 1 0 338.408 -1.752 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1O ZINC001023793686 668575121 /nfs/dbraw/zinc/57/51/21/668575121.db2.gz MGIDZOKCKRHCLY-JHJVBQTASA-N 1 0 339.392 -1.277 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1O ZINC001023793687 668575064 /nfs/dbraw/zinc/57/50/64/668575064.db2.gz MGIDZOKCKRHCLY-YNEHKIRRSA-N 1 0 339.392 -1.277 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O ZINC001023793719 668575136 /nfs/dbraw/zinc/57/51/36/668575136.db2.gz NXZGRYGJQOIVTE-VXGBXAGGSA-N 1 0 335.364 -1.421 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023793720 668575101 /nfs/dbraw/zinc/57/51/01/668575101.db2.gz NZSFLMGRLXWMTA-CHWSQXEVSA-N 1 0 336.396 -1.305 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1=O ZINC001023793744 668575770 /nfs/dbraw/zinc/57/57/70/668575770.db2.gz PGZAUHYUVDQZPY-ZIAGYGMSSA-N 1 0 348.403 -1.217 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1O ZINC001023793749 668575435 /nfs/dbraw/zinc/57/54/35/668575435.db2.gz PLJJXHSWRQMCAP-JHJVBQTASA-N 1 0 327.381 -1.815 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1O ZINC001023793750 668575515 /nfs/dbraw/zinc/57/55/15/668575515.db2.gz PLJJXHSWRQMCAP-UPJWGTAASA-N 1 0 327.381 -1.815 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001023793762 668575445 /nfs/dbraw/zinc/57/54/45/668575445.db2.gz QEXDTPFLIHOLPD-VXGBXAGGSA-N 1 0 337.380 -1.296 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1O ZINC001023793765 668575595 /nfs/dbraw/zinc/57/55/95/668575595.db2.gz QISUEBLAESIUKT-ZIAGYGMSSA-N 1 0 340.424 -1.898 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O ZINC001023793774 668575650 /nfs/dbraw/zinc/57/56/50/668575650.db2.gz QPLXKFHUXPERPT-GHMZBOCLSA-N 1 0 325.394 -1.065 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001023793794 668575857 /nfs/dbraw/zinc/57/58/57/668575857.db2.gz RCXPWSDPQCMWDV-CHWSQXEVSA-N 1 0 349.391 -1.489 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)ccc1=O ZINC001023793815 668575790 /nfs/dbraw/zinc/57/57/90/668575790.db2.gz RVQDMXCLFBSCFF-ZIAGYGMSSA-N 1 0 348.403 -1.217 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1O ZINC001023793828 668575821 /nfs/dbraw/zinc/57/58/21/668575821.db2.gz SFFNKCPPBMHVCG-CHWSQXEVSA-N 1 0 338.408 -1.608 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1O ZINC001023793829 668575626 /nfs/dbraw/zinc/57/56/26/668575626.db2.gz SFRILXYEAPLJQP-JHJVBQTASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1O ZINC001023793831 668575782 /nfs/dbraw/zinc/57/57/82/668575782.db2.gz SFRILXYEAPLJQP-YNEHKIRRSA-N 1 0 338.408 -1.704 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001023793839 668575473 /nfs/dbraw/zinc/57/54/73/668575473.db2.gz SMGYVLQLLWJREC-DGCLKSJQSA-N 1 0 336.396 -1.305 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1O ZINC001023793890 668575603 /nfs/dbraw/zinc/57/56/03/668575603.db2.gz UBUVKOJZBHHXOB-GMTAPVOTSA-N 1 0 326.353 -2.122 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1O ZINC001023793893 668575528 /nfs/dbraw/zinc/57/55/28/668575528.db2.gz UBUVKOJZBHHXOB-OUAUKWLOSA-N 1 0 326.353 -2.122 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)n1cncn1 ZINC001023793901 668575851 /nfs/dbraw/zinc/57/58/51/668575851.db2.gz UGQHAQRSILHXCJ-JHJVBQTASA-N 1 0 336.396 -1.377 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)n1cncn1 ZINC001023793903 668575708 /nfs/dbraw/zinc/57/57/08/668575708.db2.gz UGQHAQRSILHXCJ-YNEHKIRRSA-N 1 0 336.396 -1.377 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1O ZINC001023793915 668575533 /nfs/dbraw/zinc/57/55/33/668575533.db2.gz UPKBFVNLZBYSQR-VXGBXAGGSA-N 1 0 336.396 -1.479 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1O ZINC001023793938 668575547 /nfs/dbraw/zinc/57/55/47/668575547.db2.gz UYWWTXQPARYNPP-GHMZBOCLSA-N 1 0 338.368 -2.233 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001023793997 668575727 /nfs/dbraw/zinc/57/57/27/668575727.db2.gz WPSAILZUILURBK-ZIAGYGMSSA-N 1 0 335.408 -1.025 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023794114 668575591 /nfs/dbraw/zinc/57/55/91/668575591.db2.gz YJYXOHCLVMYAAY-ZIAGYGMSSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1O ZINC001023794132 668575719 /nfs/dbraw/zinc/57/57/19/668575719.db2.gz ZHTHLJMYSHIZPK-JHJVBQTASA-N 1 0 338.408 -1.561 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1O ZINC001023794134 668575744 /nfs/dbraw/zinc/57/57/44/668575744.db2.gz ZHTHLJMYSHIZPK-YNEHKIRRSA-N 1 0 338.408 -1.561 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023794137 668575682 /nfs/dbraw/zinc/57/56/82/668575682.db2.gz ZLGLPWPYLLMMPE-HZSPNIEDSA-N 1 0 340.424 -1.899 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023794138 668575519 /nfs/dbraw/zinc/57/55/19/668575519.db2.gz ZLGLPWPYLLMMPE-MGPQQGTHSA-N 1 0 340.424 -1.899 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023794154 668575618 /nfs/dbraw/zinc/57/56/18/668575618.db2.gz ZVNVKCVPFANYDN-ZIAGYGMSSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1O ZINC001023795175 668575496 /nfs/dbraw/zinc/57/54/96/668575496.db2.gz CMMVQMVCTDYZHC-MWLCHTKSSA-N 1 0 325.394 -1.065 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O ZINC001023795381 668575735 /nfs/dbraw/zinc/57/57/35/668575735.db2.gz GSVVAHYCZMAILH-VXGBXAGGSA-N 1 0 335.364 -1.833 20 0 EAADRO NC(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c[nH]1 ZINC001023795395 668575694 /nfs/dbraw/zinc/57/56/94/668575694.db2.gz GXEZWFGEYAXFDR-CHWSQXEVSA-N 1 0 349.391 -1.489 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1=O ZINC001023795444 668576451 /nfs/dbraw/zinc/57/64/51/668576451.db2.gz IAHCBWBRFKYBJN-JHJVBQTASA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1=O ZINC001023795446 668576307 /nfs/dbraw/zinc/57/63/07/668576307.db2.gz IAHCBWBRFKYBJN-YNEHKIRRSA-N 1 0 338.408 -1.752 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795593 668576363 /nfs/dbraw/zinc/57/63/63/668576363.db2.gz JKYIOAMPXJTQSU-ZIAGYGMSSA-N 1 0 335.408 -1.025 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CNC(=O)C1 ZINC001023795626 668576224 /nfs/dbraw/zinc/57/62/24/668576224.db2.gz KWFAORTUCWRYGM-HSMVNMDESA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CNC(=O)C1 ZINC001023795627 668576148 /nfs/dbraw/zinc/57/61/48/668576148.db2.gz KWFAORTUCWRYGM-XHBSWPGZSA-N 1 0 338.408 -1.704 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795689 668576203 /nfs/dbraw/zinc/57/62/03/668576203.db2.gz NYNRMNISOQIVDQ-CHWSQXEVSA-N 1 0 337.380 -1.296 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795690 668576066 /nfs/dbraw/zinc/57/60/66/668576066.db2.gz NYYZJKMYBDSNIH-ZIAGYGMSSA-N 1 0 335.408 -1.025 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1O ZINC001023795806 668576052 /nfs/dbraw/zinc/57/60/52/668576052.db2.gz SMMYIPSRZKYCSS-BFHYXJOUSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1O ZINC001023795807 668576118 /nfs/dbraw/zinc/57/61/18/668576118.db2.gz SMMYIPSRZKYCSS-MGPQQGTHSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1O ZINC001023795821 668576441 /nfs/dbraw/zinc/57/64/41/668576441.db2.gz TWODKPMNZPRDQO-CHWSQXEVSA-N 1 0 349.391 -1.327 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795858 668576421 /nfs/dbraw/zinc/57/64/21/668576421.db2.gz VRYQOPYVAPAYIQ-ZIAGYGMSSA-N 1 0 335.408 -1.025 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O ZINC001023796509 668576350 /nfs/dbraw/zinc/57/63/50/668576350.db2.gz GEJBQDVTFABHTE-VXGBXAGGSA-N 1 0 335.364 -1.421 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O ZINC001023796609 668576412 /nfs/dbraw/zinc/57/64/12/668576412.db2.gz HRWTWITUEMCXRO-GHMZBOCLSA-N 1 0 325.344 -1.054 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001023796628 668576399 /nfs/dbraw/zinc/57/63/99/668576399.db2.gz IBSOGGHHGLMNIA-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796633 668576185 /nfs/dbraw/zinc/57/61/85/668576185.db2.gz ILTZZDFRNNWILP-TZMCWYRMSA-N 1 0 348.403 -1.217 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CCNC1=O ZINC001023796650 668575451 /nfs/dbraw/zinc/57/54/51/668575451.db2.gz IYWGSVYZBHFDOI-HSMVNMDESA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CCNC1=O ZINC001023796651 668575894 /nfs/dbraw/zinc/57/58/94/668575894.db2.gz IYWGSVYZBHFDOI-XHBSWPGZSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CCC(=O)N1 ZINC001023796654 668575490 /nfs/dbraw/zinc/57/54/90/668575490.db2.gz JCBMVJFBLQHURP-HSMVNMDESA-N 1 0 338.408 -1.561 20 0 EAADRO COc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023796845 668575867 /nfs/dbraw/zinc/57/58/67/668575867.db2.gz NHQJZRNUCPKLGI-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1O ZINC001023796849 668575800 /nfs/dbraw/zinc/57/58/00/668575800.db2.gz NNWFESATNGJGKU-ZIAGYGMSSA-N 1 0 348.403 -1.368 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796857 668575577 /nfs/dbraw/zinc/57/55/77/668575577.db2.gz NTPXKKIVRTVPBW-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001023796903 668575504 /nfs/dbraw/zinc/57/55/04/668575504.db2.gz PVZDELADUKZZBH-CHWSQXEVSA-N 1 0 349.391 -1.489 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O ZINC001023796906 668575463 /nfs/dbraw/zinc/57/54/63/668575463.db2.gz QAPUKTGEJRSFHO-VXGBXAGGSA-N 1 0 345.421 -2.185 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1O ZINC001023796938 668575900 /nfs/dbraw/zinc/57/59/00/668575900.db2.gz RBMBWASHDOOHTJ-JHJVBQTASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1O ZINC001023796941 668576175 /nfs/dbraw/zinc/57/61/75/668576175.db2.gz RBMBWASHDOOHTJ-YNEHKIRRSA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1O ZINC001023796950 668576406 /nfs/dbraw/zinc/57/64/06/668576406.db2.gz RIHMMIUWOBHMLE-GMTAPVOTSA-N 1 0 325.369 -2.549 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1O ZINC001023796951 668576485 /nfs/dbraw/zinc/57/64/85/668576485.db2.gz RIHMMIUWOBHMLE-HBNTYKKESA-N 1 0 325.369 -2.549 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1O ZINC001023796955 668576329 /nfs/dbraw/zinc/57/63/29/668576329.db2.gz RNIKWHQXNMDSPY-CHWSQXEVSA-N 1 0 336.396 -1.479 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023797072 668576388 /nfs/dbraw/zinc/57/63/88/668576388.db2.gz SJJHDYKBDBLCQC-ZIAGYGMSSA-N 1 0 335.408 -1.025 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023797081 668576195 /nfs/dbraw/zinc/57/61/95/668576195.db2.gz SSKHYVUDVWLROR-GHMZBOCLSA-N 1 0 337.380 -1.179 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1O ZINC001023797096 668576429 /nfs/dbraw/zinc/57/64/29/668576429.db2.gz TXLSMFXXRPXRDY-JHJVBQTASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1O ZINC001023797097 668576090 /nfs/dbraw/zinc/57/60/90/668576090.db2.gz TXLSMFXXRPXRDY-YNEHKIRRSA-N 1 0 338.408 -1.704 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001023797117 668576457 /nfs/dbraw/zinc/57/64/57/668576457.db2.gz VCWUYVDHVZYVLS-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001023797118 668576253 /nfs/dbraw/zinc/57/62/53/668576253.db2.gz VDJQAGGNJJEGJQ-VXGBXAGGSA-N 1 0 335.364 -1.421 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)ncn1 ZINC001023797280 668576235 /nfs/dbraw/zinc/57/62/35/668576235.db2.gz XLARBBYSHHKWRV-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)ccc1=O ZINC001023797289 668576384 /nfs/dbraw/zinc/57/63/84/668576384.db2.gz XUBZBAQWUKNLBN-CHWSQXEVSA-N 1 0 349.391 -1.822 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)[nH]c1=O ZINC001023797295 668576471 /nfs/dbraw/zinc/57/64/71/668576471.db2.gz YAEOBLPQXHJDCI-ZYHUDNBSSA-N 1 0 337.380 -1.477 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1O ZINC001023797306 668576268 /nfs/dbraw/zinc/57/62/68/668576268.db2.gz YQJCOJJIMDEVJL-JHJVBQTASA-N 1 0 338.408 -1.561 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1O ZINC001023797791 668576394 /nfs/dbraw/zinc/57/63/94/668576394.db2.gz AMAAWJRNNMEASR-JHJVBQTASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1O ZINC001023797792 668576344 /nfs/dbraw/zinc/57/63/44/668576344.db2.gz AMAAWJRNNMEASR-YNEHKIRRSA-N 1 0 338.408 -1.704 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001023797878 668576283 /nfs/dbraw/zinc/57/62/83/668576283.db2.gz FHRGKPWNAQNZOC-ZIAGYGMSSA-N 1 0 348.403 -1.217 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001023797882 668576322 /nfs/dbraw/zinc/57/63/22/668576322.db2.gz FODAUSXDOVSVOR-CHWSQXEVSA-N 1 0 349.391 -1.822 20 0 EAADRO Cn1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c[nH]c1=O ZINC001023797923 668576164 /nfs/dbraw/zinc/57/61/64/668576164.db2.gz HHKRCFJSJIUJMM-ZYHUDNBSSA-N 1 0 337.380 -1.477 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023797948 668576031 /nfs/dbraw/zinc/57/60/31/668576031.db2.gz HYMXSENSETUAEQ-VXGBXAGGSA-N 1 0 349.391 -1.112 20 0 EAADRO CN1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001023798012 668576355 /nfs/dbraw/zinc/57/63/55/668576355.db2.gz JBYQROWJUINBOD-JHJVBQTASA-N 1 0 338.408 -1.752 20 0 EAADRO CN1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001023798013 668576156 /nfs/dbraw/zinc/57/61/56/668576156.db2.gz JBYQROWJUINBOD-YNEHKIRRSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023798023 668576129 /nfs/dbraw/zinc/57/61/29/668576129.db2.gz JJZUIIHCAPNCOC-FRRDWIJNSA-N 1 0 338.408 -1.609 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023798025 668576435 /nfs/dbraw/zinc/57/64/35/668576435.db2.gz JJZUIIHCAPNCOC-JHJVBQTASA-N 1 0 338.408 -1.609 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)NC1=O ZINC001023798341 668576301 /nfs/dbraw/zinc/57/63/01/668576301.db2.gz ORMSSTAXQRIMOT-GRYCIOLGSA-N 1 0 339.396 -2.206 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)NC1=O ZINC001023798343 668576491 /nfs/dbraw/zinc/57/64/91/668576491.db2.gz ORMSSTAXQRIMOT-IJLUTSLNSA-N 1 0 339.396 -2.206 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023798637 668576313 /nfs/dbraw/zinc/57/63/13/668576313.db2.gz WXFCQONOKHBURZ-JLNYLFASSA-N 1 0 341.408 -1.426 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1O ZINC001023798816 668576139 /nfs/dbraw/zinc/57/61/39/668576139.db2.gz ZGTIVSSLHBHDCA-JMSVASOKSA-N 1 0 329.372 -1.101 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1O ZINC001023798817 668576294 /nfs/dbraw/zinc/57/62/94/668576294.db2.gz ZGTIVSSLHBHDCA-LALPHHSUSA-N 1 0 329.372 -1.101 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023799517 668576669 /nfs/dbraw/zinc/57/66/69/668576669.db2.gz FDXKMZSUFHUSOK-HZSPNIEDSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023799519 668576710 /nfs/dbraw/zinc/57/67/10/668576710.db2.gz FDXKMZSUFHUSOK-MGPQQGTHSA-N 1 0 335.408 -1.026 20 0 EAADRO Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023801057 668576796 /nfs/dbraw/zinc/57/67/96/668576796.db2.gz KCQQFFPUVVKKTB-ZIAGYGMSSA-N 1 0 347.419 -1.025 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001023806230 668578012 /nfs/dbraw/zinc/57/80/12/668578012.db2.gz FAOSDEDNRUPOHV-OASPWFOLSA-N 1 0 349.391 -1.633 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001023806231 668577964 /nfs/dbraw/zinc/57/79/64/668577964.db2.gz FAOSDEDNRUPOHV-ZWKOPEQDSA-N 1 0 349.391 -1.633 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)c[nH]1 ZINC001023806828 668577939 /nfs/dbraw/zinc/57/79/39/668577939.db2.gz PPTDIKQUWBOOCD-CHWSQXEVSA-N 1 0 349.391 -1.489 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001023808095 668578263 /nfs/dbraw/zinc/57/82/63/668578263.db2.gz REZMYZQGZSDUMC-FRRDWIJNSA-N 1 0 349.391 -1.491 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)nc1=O ZINC001023828414 668579523 /nfs/dbraw/zinc/57/95/23/668579523.db2.gz CHAVHNQVUKAQGZ-JTQLQIEISA-N 1 0 335.372 -1.877 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)Cn3cnnn3)C2)nc1=O ZINC001023828415 668579779 /nfs/dbraw/zinc/57/97/79/668579779.db2.gz CHAVHNQVUKAQGZ-SNVBAGLBSA-N 1 0 335.372 -1.877 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023828850 668580197 /nfs/dbraw/zinc/58/01/97/668580197.db2.gz HHUWJOUXQMZQPG-GHMZBOCLSA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023828851 668580125 /nfs/dbraw/zinc/58/01/25/668580125.db2.gz HHUWJOUXQMZQPG-MNOVXSKESA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023828852 668579957 /nfs/dbraw/zinc/57/99/57/668579957.db2.gz HHUWJOUXQMZQPG-QWRGUYRKSA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023828853 668580007 /nfs/dbraw/zinc/58/00/07/668580007.db2.gz HHUWJOUXQMZQPG-WDEREUQCSA-N 1 0 335.368 -1.694 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC001023829503 668580068 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CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001023852198 668582314 /nfs/dbraw/zinc/58/23/14/668582314.db2.gz LOIQZYRJOFDRMO-NQBHXWOUSA-N 1 0 339.400 -2.053 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001023852199 668582407 /nfs/dbraw/zinc/58/24/07/668582407.db2.gz LOIQZYRJOFDRMO-WZRBSPASSA-N 1 0 339.400 -2.053 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001023852233 668582402 /nfs/dbraw/zinc/58/24/02/668582402.db2.gz MZWGQTTZYJXHPS-GMTAPVOTSA-N 1 0 325.373 -2.299 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001023852234 668582292 /nfs/dbraw/zinc/58/22/92/668582292.db2.gz MZWGQTTZYJXHPS-OUAUKWLOSA-N 1 0 325.373 -2.299 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1O ZINC001023852648 668582730 /nfs/dbraw/zinc/58/27/30/668582730.db2.gz UYLFXSHOVGENHO-JMSVASOKSA-N 1 0 349.395 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023852671 668582963 /nfs/dbraw/zinc/58/29/63/668582963.db2.gz VOAODMFNSXWGOB-GHMZBOCLSA-N 1 0 335.368 -2.543 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001023852704 668582714 /nfs/dbraw/zinc/58/27/14/668582714.db2.gz WUIPUFKGIFIACV-GHMZBOCLSA-N 1 0 334.340 -2.365 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)CC1 ZINC001023853720 668582947 /nfs/dbraw/zinc/58/29/47/668582947.db2.gz DOQLKSBUKHPMIX-VXGBXAGGSA-N 1 0 337.384 -2.297 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001023853730 668582927 /nfs/dbraw/zinc/58/29/27/668582927.db2.gz DWGTVPYTPULWHV-IJLUTSLNSA-N 1 0 337.384 -2.297 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001023853731 668582754 /nfs/dbraw/zinc/58/27/54/668582754.db2.gz DWGTVPYTPULWHV-QJPTWQEYSA-N 1 0 337.384 -2.297 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001023853776 668583329 /nfs/dbraw/zinc/58/33/29/668583329.db2.gz GHFLRYGJVWUPSU-IJLUTSLNSA-N 1 0 337.384 -2.155 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001023853778 668583232 /nfs/dbraw/zinc/58/32/32/668583232.db2.gz GHFLRYGJVWUPSU-QJPTWQEYSA-N 1 0 337.384 -2.155 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)CCC1 ZINC001023854481 668583660 /nfs/dbraw/zinc/58/36/60/668583660.db2.gz VBXUHRLVPCQODQ-GHMZBOCLSA-N 1 0 337.384 -2.155 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023854506 668583750 /nfs/dbraw/zinc/58/37/50/668583750.db2.gz VVQZCYQHBNDVBV-JHJVBQTASA-N 1 0 349.395 -2.297 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023854507 668583655 /nfs/dbraw/zinc/58/36/55/668583655.db2.gz VVQZCYQHBNDVBV-YNEHKIRRSA-N 1 0 349.395 -2.297 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001023854528 668583787 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20 0 EAADRO COc1cc(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)ncn1 ZINC001023860807 668585161 /nfs/dbraw/zinc/58/51/61/668585161.db2.gz LQXXJGIXZGRXJU-CHWSQXEVSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)ncn1 ZINC001023861064 668585406 /nfs/dbraw/zinc/58/54/06/668585406.db2.gz PVTWTJWAOBSMTM-CYZMBNFOSA-N 1 0 349.391 -1.262 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)ncn1 ZINC001023861067 668585266 /nfs/dbraw/zinc/58/52/66/668585266.db2.gz PVTWTJWAOBSMTM-RAIGVLPGSA-N 1 0 349.391 -1.262 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001023861156 668585242 /nfs/dbraw/zinc/58/52/42/668585242.db2.gz QHHMJKVAPJILOO-NEPJUHHUSA-N 1 0 339.396 -1.148 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3COCCO3)C2)nc1=O ZINC001023861158 668585132 /nfs/dbraw/zinc/58/51/32/668585132.db2.gz QHHMJKVAPJILOO-NWDGAFQWSA-N 1 0 339.396 -1.148 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001023861160 668585225 /nfs/dbraw/zinc/58/52/25/668585225.db2.gz QHHMJKVAPJILOO-RYUDHWBXSA-N 1 0 339.396 -1.148 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)nc1=O ZINC001023861161 668585388 /nfs/dbraw/zinc/58/53/88/668585388.db2.gz QHHMJKVAPJILOO-VXGBXAGGSA-N 1 0 339.396 -1.148 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001023861379 668585369 /nfs/dbraw/zinc/58/53/69/668585369.db2.gz BPOAGAMHGSXNRV-AQGHMYMLSA-N 1 0 349.431 -1.092 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001023861382 668585251 /nfs/dbraw/zinc/58/52/51/668585251.db2.gz BPOAGAMHGSXNRV-KPRKPIBOSA-N 1 0 349.431 -1.092 20 0 EAADRO O=C(Cn1ccnc1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023861513 668585288 /nfs/dbraw/zinc/58/52/88/668585288.db2.gz DCGRPGZRENTEDC-RBSFLKMASA-N 1 0 347.419 -1.087 20 0 EAADRO O=C(Cn1ccnc1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023861514 668585295 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FCVPKRWWUHUGCN-JHJVBQTASA-N 1 0 348.407 -1.244 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023861755 668585593 /nfs/dbraw/zinc/58/55/93/668585593.db2.gz FCVPKRWWUHUGCN-YNEHKIRRSA-N 1 0 348.407 -1.244 20 0 EAADRO O=C(Cn1cncn1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023861770 668585861 /nfs/dbraw/zinc/58/58/61/668585861.db2.gz FSCJHBKDGFNOJA-BFHYXJOUSA-N 1 0 348.407 -1.692 20 0 EAADRO O=C(Cn1cncn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023861771 668585893 /nfs/dbraw/zinc/58/58/93/668585893.db2.gz FSCJHBKDGFNOJA-MGPQQGTHSA-N 1 0 348.407 -1.692 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001023861795 668585852 /nfs/dbraw/zinc/58/58/52/668585852.db2.gz GOUROABFZPHPLV-IJLUTSLNSA-N 1 0 334.380 -1.552 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001023861796 668585910 /nfs/dbraw/zinc/58/59/10/668585910.db2.gz GOUROABFZPHPLV-QJPTWQEYSA-N 1 0 334.380 -1.552 20 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O=C(Cc1cnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023862175 668585744 /nfs/dbraw/zinc/58/57/44/668585744.db2.gz NFHZIYFOJSLJLQ-RRFJBIMHSA-N 1 0 347.419 -1.018 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023862227 668585619 /nfs/dbraw/zinc/58/56/19/668585619.db2.gz NTEBHRUBJXDMLI-JHJVBQTASA-N 1 0 349.395 -2.297 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023862228 668585846 /nfs/dbraw/zinc/58/58/46/668585846.db2.gz NTEBHRUBJXDMLI-YNEHKIRRSA-N 1 0 349.395 -2.297 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001023862232 668585688 /nfs/dbraw/zinc/58/56/88/668585688.db2.gz NYVBVFYPTYVYJU-IACUBPJLSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001023862233 668585938 /nfs/dbraw/zinc/58/59/38/668585938.db2.gz NYVBVFYPTYVYJU-MRVWCRGKSA-N 1 0 348.407 -1.542 20 0 EAADRO O=C(Cc1nnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023862340 668585724 /nfs/dbraw/zinc/58/57/24/668585724.db2.gz PCTFABCZVBZPJD-JHJVBQTASA-N 1 0 348.407 -1.623 20 0 EAADRO O=C(Cc1nnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023862341 668585872 /nfs/dbraw/zinc/58/58/72/668585872.db2.gz PCTFABCZVBZPJD-YNEHKIRRSA-N 1 0 348.407 -1.623 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001023862371 668585611 /nfs/dbraw/zinc/58/56/11/668585611.db2.gz QAXRXWFEVZJGGA-OUCADQQQSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001023862372 668585884 /nfs/dbraw/zinc/58/58/84/668585884.db2.gz QAXRXWFEVZJGGA-YRGRVCCFSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001023862450 668585623 /nfs/dbraw/zinc/58/56/23/668585623.db2.gz SJRLMDDXQPBZQU-IJLUTSLNSA-N 1 0 349.395 -2.147 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001023862451 668585733 /nfs/dbraw/zinc/58/57/33/668585733.db2.gz SJRLMDDXQPBZQU-QJPTWQEYSA-N 1 0 349.395 -2.147 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001023862579 668585925 /nfs/dbraw/zinc/58/59/25/668585925.db2.gz WXJWYAUQARSVIK-JHJVBQTASA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001023862580 668585942 /nfs/dbraw/zinc/58/59/42/668585942.db2.gz WXJWYAUQARSVIK-YNEHKIRRSA-N 1 0 348.407 -1.542 20 0 EAADRO O=C(Cn1nccn1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023862615 668585799 /nfs/dbraw/zinc/58/57/99/668585799.db2.gz YADIRXPXTLWIAO-BFHYXJOUSA-N 1 0 348.407 -1.692 20 0 EAADRO O=C(Cn1nccn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023862616 668585636 /nfs/dbraw/zinc/58/56/36/668585636.db2.gz YADIRXPXTLWIAO-MGPQQGTHSA-N 1 0 348.407 -1.692 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)nc1=O ZINC001023876171 668586314 /nfs/dbraw/zinc/58/63/14/668586314.db2.gz AEEARBBTJVMONB-JTQLQIEISA-N 1 0 345.425 -1.519 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)nc1=O ZINC001023876172 668586923 /nfs/dbraw/zinc/58/69/23/668586923.db2.gz AEEARBBTJVMONB-SNVBAGLBSA-N 1 0 345.425 -1.519 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001023876243 668586680 /nfs/dbraw/zinc/58/66/80/668586680.db2.gz BKUJUZOVNIKPOK-JTQLQIEISA-N 1 0 330.414 -1.417 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001023876245 668586959 /nfs/dbraw/zinc/58/69/59/668586959.db2.gz BKUJUZOVNIKPOK-SNVBAGLBSA-N 1 0 330.414 -1.417 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001023876248 668586623 /nfs/dbraw/zinc/58/66/23/668586623.db2.gz PIMJDYZIRHQKFH-GRYCIOLGSA-N 1 0 345.421 -2.187 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001023876249 668586762 /nfs/dbraw/zinc/58/67/62/668586762.db2.gz PIMJDYZIRHQKFH-IJLUTSLNSA-N 1 0 345.421 -2.187 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1)[NH+](C)C ZINC001023877220 668586914 /nfs/dbraw/zinc/58/69/14/668586914.db2.gz GLSDDHMGGWRUKU-GRYCIOLGSA-N 1 0 347.437 -1.941 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1)[NH+](C)C ZINC001023877222 668586831 /nfs/dbraw/zinc/58/68/31/668586831.db2.gz GLSDDHMGGWRUKU-IJLUTSLNSA-N 1 0 347.437 -1.941 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023877382 668587298 /nfs/dbraw/zinc/58/72/98/668587298.db2.gz PVAFPEIAVLNVNT-GHMZBOCLSA-N 1 0 345.421 -1.336 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023877384 668587479 /nfs/dbraw/zinc/58/74/79/668587479.db2.gz PVAFPEIAVLNVNT-MNOVXSKESA-N 1 0 345.421 -1.336 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023877385 668587473 /nfs/dbraw/zinc/58/74/73/668587473.db2.gz PVAFPEIAVLNVNT-QWRGUYRKSA-N 1 0 345.421 -1.336 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023877388 668587279 /nfs/dbraw/zinc/58/72/79/668587279.db2.gz PVAFPEIAVLNVNT-WDEREUQCSA-N 1 0 345.421 -1.336 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001023877895 668587316 /nfs/dbraw/zinc/58/73/16/668587316.db2.gz VWUHJJOAIAGTPK-VXGBXAGGSA-N 1 0 345.421 -2.185 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001023877922 668587221 /nfs/dbraw/zinc/58/72/21/668587221.db2.gz WGSQTKROXQRBIW-MVWJERBFSA-N 1 0 345.421 -2.329 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001023877923 668587235 /nfs/dbraw/zinc/58/72/35/668587235.db2.gz WGSQTKROXQRBIW-YUSALJHKSA-N 1 0 345.421 -2.329 20 0 EAADRO O=C(Cc1cnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001023879583 668587906 /nfs/dbraw/zinc/58/79/06/668587906.db2.gz QGEDRKWXNAGVQU-GHMZBOCLSA-N 1 0 342.377 -2.315 20 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ZINC001023892428 668589252 /nfs/dbraw/zinc/58/92/52/668589252.db2.gz HAXYABWLMFQRCX-VXGBXAGGSA-N 1 0 334.380 -1.938 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001023892724 668591383 /nfs/dbraw/zinc/59/13/83/668591383.db2.gz UKYCPXRSGCFTSF-BZPMIXESSA-N 1 0 338.412 -1.448 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001023892725 668591402 /nfs/dbraw/zinc/59/14/02/668591402.db2.gz UKYCPXRSGCFTSF-YRGRVCCFSA-N 1 0 338.412 -1.448 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001023892727 668591517 /nfs/dbraw/zinc/59/15/17/668591517.db2.gz UMRRDRPSNFXWAM-JHJVBQTASA-N 1 0 336.396 -1.692 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001023892728 668591374 /nfs/dbraw/zinc/59/13/74/668591374.db2.gz UMRRDRPSNFXWAM-YNEHKIRRSA-N 1 0 336.396 -1.692 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001023892906 668591532 /nfs/dbraw/zinc/59/15/32/668591532.db2.gz XGBHIJXJMMPHFD-CHWSQXEVSA-N 1 0 348.407 -1.406 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)CC1 ZINC001023896485 668589529 /nfs/dbraw/zinc/58/95/29/668589529.db2.gz HQDNELHDJMZOPB-CHWSQXEVSA-N 1 0 336.396 -1.692 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001023896590 668589476 /nfs/dbraw/zinc/58/94/76/668589476.db2.gz LRQUQMHVBQJOIV-FRRDWIJNSA-N 1 0 336.396 -1.550 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)CC[N@@H+]1C ZINC001023896826 668589572 /nfs/dbraw/zinc/58/95/72/668589572.db2.gz ORZKBBAWDOKHMY-FDYHWXHSSA-N 1 0 336.396 -1.694 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1)C1CCC1 ZINC001023897005 668590175 /nfs/dbraw/zinc/59/01/75/668590175.db2.gz UFXNJYYGRBWPFG-CHWSQXEVSA-N 1 0 336.396 -1.550 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001023897903 668590226 /nfs/dbraw/zinc/59/02/26/668590226.db2.gz BQBDBCFUCNNBFA-JHJVBQTASA-N 1 0 336.396 -1.550 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001023897904 668590149 /nfs/dbraw/zinc/59/01/49/668590149.db2.gz BQBDBCFUCNNBFA-YNEHKIRRSA-N 1 0 336.396 -1.550 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023898084 668590112 /nfs/dbraw/zinc/59/01/12/668590112.db2.gz FRTTWUCFTMOHMP-BFHYXJOUSA-N 1 0 348.407 -1.692 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023898085 668590031 /nfs/dbraw/zinc/59/00/31/668590031.db2.gz FRTTWUCFTMOHMP-MGPQQGTHSA-N 1 0 348.407 -1.692 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001023898337 668590038 /nfs/dbraw/zinc/59/00/38/668590038.db2.gz LRQUQMHVBQJOIV-JHJVBQTASA-N 1 0 336.396 -1.550 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)CCC1 ZINC001023898554 668590512 /nfs/dbraw/zinc/59/05/12/668590512.db2.gz SOZXNLGQZZUJSR-VXGBXAGGSA-N 1 0 336.396 -1.550 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1)C1CC1 ZINC001023900129 668590430 /nfs/dbraw/zinc/59/04/30/668590430.db2.gz LFZSXTUWJDNEEC-BZPMIXESSA-N 1 0 336.396 -1.694 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1)C1CC1 ZINC001023900130 668590586 /nfs/dbraw/zinc/59/05/86/668590586.db2.gz LFZSXTUWJDNEEC-YRGRVCCFSA-N 1 0 336.396 -1.694 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001023900763 668590896 /nfs/dbraw/zinc/59/08/96/668590896.db2.gz YZMUBIGKYBISSG-JHJVBQTASA-N 1 0 336.396 -1.692 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001023900765 668591063 /nfs/dbraw/zinc/59/10/63/668591063.db2.gz YZMUBIGKYBISSG-YNEHKIRRSA-N 1 0 336.396 -1.692 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001023909105 668592038 /nfs/dbraw/zinc/59/20/38/668592038.db2.gz YZNWJPUHOOWQHT-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023909106 668592025 /nfs/dbraw/zinc/59/20/25/668592025.db2.gz YZNWJPUHOOWQHT-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001023909107 668591987 /nfs/dbraw/zinc/59/19/87/668591987.db2.gz YZNWJPUHOOWQHT-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023909108 668592475 /nfs/dbraw/zinc/59/24/75/668592475.db2.gz YZNWJPUHOOWQHT-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023935307 668593287 /nfs/dbraw/zinc/59/32/87/668593287.db2.gz RNQYBEHSZVRXLC-CHWSQXEVSA-N 1 0 339.396 -1.607 20 0 EAADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)cn1 ZINC001023935620 668593560 /nfs/dbraw/zinc/59/35/60/668593560.db2.gz ZEGNUDJQAIXCOP-GHMZBOCLSA-N 1 0 338.368 -2.769 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001023940458 668594420 /nfs/dbraw/zinc/59/44/20/668594420.db2.gz TYEJKCPFQYKFKU-CYBMUJFWSA-N 1 0 337.428 -1.130 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001023940459 668594617 /nfs/dbraw/zinc/59/46/17/668594617.db2.gz TYEJKCPFQYKFKU-ZDUSSCGKSA-N 1 0 337.428 -1.130 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001023943657 668595116 /nfs/dbraw/zinc/59/51/16/668595116.db2.gz AUTXCALLHDVIRS-JTQLQIEISA-N 1 0 335.372 -1.464 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001023943658 668595054 /nfs/dbraw/zinc/59/50/54/668595054.db2.gz AUTXCALLHDVIRS-SNVBAGLBSA-N 1 0 335.372 -1.464 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC001023944057 668595146 /nfs/dbraw/zinc/59/51/46/668595146.db2.gz HPKBNXXLVVJGSI-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001023944059 668595041 /nfs/dbraw/zinc/59/50/41/668595041.db2.gz HPKBNXXLVVJGSI-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC001023944061 668594981 /nfs/dbraw/zinc/59/49/81/668594981.db2.gz HPKBNXXLVVJGSI-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001023944063 668595019 /nfs/dbraw/zinc/59/50/19/668595019.db2.gz HPKBNXXLVVJGSI-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)n1 ZINC001023954711 668597322 /nfs/dbraw/zinc/59/73/22/668597322.db2.gz AZPRXZLUIINLCB-GHMZBOCLSA-N 1 0 338.368 -2.769 20 0 EAADRO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023955126 668597673 /nfs/dbraw/zinc/59/76/73/668597673.db2.gz RXFPLXCHZDBRRD-CHWSQXEVSA-N 1 0 339.396 -1.607 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)nc1=O ZINC001023965293 668599148 /nfs/dbraw/zinc/59/91/48/668599148.db2.gz GFWVWDBAJPELKK-NXEZZACHSA-N 1 0 338.368 -1.455 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)nc1=O ZINC001023965294 668599096 /nfs/dbraw/zinc/59/90/96/668599096.db2.gz GFWVWDBAJPELKK-UWVGGRQHSA-N 1 0 338.368 -1.455 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)nc1=O ZINC001023965295 668598585 /nfs/dbraw/zinc/59/85/85/668598585.db2.gz GFWVWDBAJPELKK-VHSXEESVSA-N 1 0 338.368 -1.455 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)nc1=O ZINC001023965296 668599297 /nfs/dbraw/zinc/59/92/97/668599297.db2.gz GFWVWDBAJPELKK-ZJUUUORDSA-N 1 0 338.368 -1.455 20 0 EAADRO Cn1nncc1C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023965438 668599312 /nfs/dbraw/zinc/59/93/12/668599312.db2.gz ICEUAQBQRDKINV-JTQLQIEISA-N 1 0 334.384 -1.121 20 0 EAADRO Cn1nncc1C(=O)N1CCC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023965439 668598953 /nfs/dbraw/zinc/59/89/53/668598953.db2.gz ICEUAQBQRDKINV-SNVBAGLBSA-N 1 0 334.384 -1.121 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968374 668598825 /nfs/dbraw/zinc/59/88/25/668598825.db2.gz UAJMVDQEJJNBTD-DDHJBXDOSA-N 1 0 336.396 -1.245 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023968402 668599053 /nfs/dbraw/zinc/59/90/53/668599053.db2.gz VIJOHVVDIMBWRD-GWOFURMSSA-N 1 0 337.384 -2.148 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)CC[N@@H+]1C ZINC001023968487 668599231 /nfs/dbraw/zinc/59/92/31/668599231.db2.gz XROHTQDLJVUNPG-AAVRWANBSA-N 1 0 335.408 -1.089 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2O)CC[N@@H+]1C ZINC001023968493 668598770 /nfs/dbraw/zinc/59/87/70/668598770.db2.gz XXSYPKZQINTLDU-PPHWHCQRSA-N 1 0 337.420 -1.093 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2O)CC[N@@H+]1C ZINC001023968918 668598758 /nfs/dbraw/zinc/59/87/58/668598758.db2.gz ARXYZTOFJGHNFU-FDYHWXHSSA-N 1 0 336.396 -1.694 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2O)CC[N@@H+]1C ZINC001023968951 668599321 /nfs/dbraw/zinc/59/93/21/668599321.db2.gz BFMXCYWBSPXLND-FDYHWXHSSA-N 1 0 336.396 -1.694 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023968958 668598612 /nfs/dbraw/zinc/59/86/12/668598612.db2.gz BOASXCNNGPXEOO-FPQZTECRSA-N 1 0 349.391 -1.176 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2O)CC[N@@H+]1C ZINC001023969062 668598899 /nfs/dbraw/zinc/59/88/99/668598899.db2.gz FJDIASIUIDTBPL-DDHJBXDOSA-N 1 0 337.384 -2.299 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2O)CC[N@@H+]1C ZINC001023969265 668598789 /nfs/dbraw/zinc/59/87/89/668598789.db2.gz KUWRLPGFZUHLIT-DDHJBXDOSA-N 1 0 340.424 -1.474 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2O)CC[N@@H+]1C ZINC001023969370 668598575 /nfs/dbraw/zinc/59/85/75/668598575.db2.gz MRWHIMZGGNPWAI-DDHJBXDOSA-N 1 0 338.408 -1.720 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023969807 668599765 /nfs/dbraw/zinc/59/97/65/668599765.db2.gz WQWUPEQAEQRGQR-OJAKKHQRSA-N 1 0 349.391 -1.176 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023969826 668599702 /nfs/dbraw/zinc/59/97/02/668599702.db2.gz XHZGCVFQFSNABT-DDHJBXDOSA-N 1 0 336.396 -1.625 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2O)CC[N@@H+]1C ZINC001023969987 668599768 /nfs/dbraw/zinc/59/97/68/668599768.db2.gz AJRJWFVBCLGPJX-FMKGYKFTSA-N 1 0 335.408 -1.020 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccnn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023970010 668599755 /nfs/dbraw/zinc/59/97/55/668599755.db2.gz BFTCFWHQEZPDTO-NMFUWQPSSA-N 1 0 349.435 -1.009 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023970029 668599758 /nfs/dbraw/zinc/59/97/58/668599758.db2.gz CACTYUHHWBYEFO-FPQZTECRSA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023970218 668599594 /nfs/dbraw/zinc/59/95/94/668599594.db2.gz GHZQLJDUZDHTNQ-PRULPYPASA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2O)CC[N@@H+]1C ZINC001023970234 668599727 /nfs/dbraw/zinc/59/97/27/668599727.db2.gz GZYUXGYLADWACY-DDHJBXDOSA-N 1 0 348.407 -1.300 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2O)CC[N@@H+]1C ZINC001023970243 668599802 /nfs/dbraw/zinc/59/98/02/668599802.db2.gz HQTCVFBZUGRENZ-FPQZTECRSA-N 1 0 349.391 -1.176 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023970245 668599823 /nfs/dbraw/zinc/59/98/23/668599823.db2.gz HSPRZFKMFLJBIM-FMKGYKFTSA-N 1 0 335.408 -1.020 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2O)CC[N@@H+]1C ZINC001023970248 668599891 /nfs/dbraw/zinc/59/98/91/668599891.db2.gz HWYSLAISLIGEAK-DDHJBXDOSA-N 1 0 337.384 -2.299 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023970418 668599792 /nfs/dbraw/zinc/59/97/92/668599792.db2.gz KZOXQCARVSTTCS-DDHJBXDOSA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnn(C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023970432 668599879 /nfs/dbraw/zinc/59/98/79/668599879.db2.gz LURRVRRKDLWSAW-NMFUWQPSSA-N 1 0 349.435 -1.009 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2O)CC[N@@H+]1C ZINC001023970446 668599742 /nfs/dbraw/zinc/59/97/42/668599742.db2.gz MOGKLRBDRMEDQS-PRULPYPASA-N 1 0 336.396 -1.543 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)CC[N@@H+]1C ZINC001023970519 668599815 /nfs/dbraw/zinc/59/98/15/668599815.db2.gz OSLMHQVUMFIYOP-AAVRWANBSA-N 1 0 335.408 -1.089 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2O)CC[N@@H+]1C ZINC001023970632 668599907 /nfs/dbraw/zinc/59/99/07/668599907.db2.gz RCBPIDDKHMXVHG-NMFUWQPSSA-N 1 0 348.403 -1.038 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023970663 668599868 /nfs/dbraw/zinc/59/98/68/668599868.db2.gz SKAOLDXVKGEUBB-NMFUWQPSSA-N 1 0 349.435 -1.009 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2O)CC[N@@H+]1C ZINC001023970693 668599681 /nfs/dbraw/zinc/59/96/81/668599681.db2.gz ULFZPWYHNCXECX-FDYHWXHSSA-N 1 0 339.392 -1.097 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001023970761 668599848 /nfs/dbraw/zinc/59/98/48/668599848.db2.gz YHJSPQGHFMBARM-DDHJBXDOSA-N 1 0 347.437 -1.941 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001023971140 668599885 /nfs/dbraw/zinc/59/98/85/668599885.db2.gz JCDQRZBCPHSNMM-JTQLQIEISA-N 1 0 334.384 -1.121 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001023971141 668599901 /nfs/dbraw/zinc/59/99/01/668599901.db2.gz JCDQRZBCPHSNMM-SNVBAGLBSA-N 1 0 334.384 -1.121 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023971950 668599635 /nfs/dbraw/zinc/59/96/35/668599635.db2.gz BLHYWUDDGJWHEK-FDYHWXHSSA-N 1 0 335.408 -1.020 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001023972091 668599718 /nfs/dbraw/zinc/59/97/18/668599718.db2.gz JPPAZLHTZRAUNZ-FPQZTECRSA-N 1 0 349.391 -1.588 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023972190 668599781 /nfs/dbraw/zinc/59/97/81/668599781.db2.gz MNYFGHXCVYTBCT-NMFUWQPSSA-N 1 0 349.435 -1.009 20 0 EAADRO Cn1cnc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001023973342 668600216 /nfs/dbraw/zinc/60/02/16/668600216.db2.gz KWKAESAEPIDXGP-JTQLQIEISA-N 1 0 334.384 -1.121 20 0 EAADRO Cn1cnc(C(=O)N2CCC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001023973343 668600358 /nfs/dbraw/zinc/60/03/58/668600358.db2.gz KWKAESAEPIDXGP-SNVBAGLBSA-N 1 0 334.384 -1.121 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC[N@@H+]1C ZINC001023977704 668600411 /nfs/dbraw/zinc/60/04/11/668600411.db2.gz MDZMCFYHTJFAJR-IRCOFANPSA-N 1 0 326.397 -1.720 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)CC[N@@H+]1C ZINC001023978768 668600293 /nfs/dbraw/zinc/60/02/93/668600293.db2.gz HEUARUBJMRDZLS-IRCOFANPSA-N 1 0 336.396 -1.164 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)CC[N@@H+]1C ZINC001023978988 668600960 /nfs/dbraw/zinc/60/09/60/668600960.db2.gz NXVMNWOSRGXPSH-WKSBVSIWSA-N 1 0 336.396 -1.164 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)nc1=O ZINC001023987114 668601011 /nfs/dbraw/zinc/60/10/11/668601011.db2.gz PKAMIGIVCWEYRT-JTQLQIEISA-N 1 0 335.372 -1.877 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)Cn3ncnn3)C2)nc1=O ZINC001023987115 668600941 /nfs/dbraw/zinc/60/09/41/668600941.db2.gz PKAMIGIVCWEYRT-SNVBAGLBSA-N 1 0 335.372 -1.877 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023989047 668601412 /nfs/dbraw/zinc/60/14/12/668601412.db2.gz KULWQAXWOXWGGW-GHMZBOCLSA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023989048 668601504 /nfs/dbraw/zinc/60/15/04/668601504.db2.gz KULWQAXWOXWGGW-MNOVXSKESA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023989049 668601323 /nfs/dbraw/zinc/60/13/23/668601323.db2.gz KULWQAXWOXWGGW-QWRGUYRKSA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023989050 668601300 /nfs/dbraw/zinc/60/13/00/668601300.db2.gz KULWQAXWOXWGGW-WDEREUQCSA-N 1 0 335.368 -1.694 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001023989394 668601579 /nfs/dbraw/zinc/60/15/79/668601579.db2.gz QFARELFTQFMNHG-GHMZBOCLSA-N 1 0 334.388 -1.214 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001023989397 668601590 /nfs/dbraw/zinc/60/15/90/668601590.db2.gz QFARELFTQFMNHG-MNOVXSKESA-N 1 0 334.388 -1.214 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001023989399 668601275 /nfs/dbraw/zinc/60/12/75/668601275.db2.gz QFARELFTQFMNHG-QWRGUYRKSA-N 1 0 334.388 -1.214 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001023989404 668601342 /nfs/dbraw/zinc/60/13/42/668601342.db2.gz QFARELFTQFMNHG-WDEREUQCSA-N 1 0 334.388 -1.214 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001023993820 668602006 /nfs/dbraw/zinc/60/20/06/668602006.db2.gz QYGWROHBSQFGOV-GHMZBOCLSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001023993821 668601936 /nfs/dbraw/zinc/60/19/36/668601936.db2.gz QYGWROHBSQFGOV-MNOVXSKESA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001023993822 668601915 /nfs/dbraw/zinc/60/19/15/668601915.db2.gz QYGWROHBSQFGOV-QWRGUYRKSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001023993823 668602037 /nfs/dbraw/zinc/60/20/37/668602037.db2.gz QYGWROHBSQFGOV-WDEREUQCSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001023993906 668602024 /nfs/dbraw/zinc/60/20/24/668602024.db2.gz SYBHGDFGEYAKCT-JTQLQIEISA-N 1 0 348.367 -1.212 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001023993907 668602653 /nfs/dbraw/zinc/60/26/53/668602653.db2.gz SYBHGDFGEYAKCT-SNVBAGLBSA-N 1 0 348.367 -1.212 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001024000978 668603126 /nfs/dbraw/zinc/60/31/26/668603126.db2.gz DQLPRDLOBAGQMA-JTQLQIEISA-N 1 0 342.425 -1.417 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001024000979 668603096 /nfs/dbraw/zinc/60/30/96/668603096.db2.gz DQLPRDLOBAGQMA-SNVBAGLBSA-N 1 0 342.425 -1.417 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024001000 668603106 /nfs/dbraw/zinc/60/31/06/668603106.db2.gz FHDADRCDFPAMGM-CMPLNLGQSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024001001 668603251 /nfs/dbraw/zinc/60/32/51/668603251.db2.gz FHDADRCDFPAMGM-JQWIXIFHSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024001077 668603067 /nfs/dbraw/zinc/60/30/67/668603067.db2.gz FHDADRCDFPAMGM-PWSUYJOCSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024001078 668603177 /nfs/dbraw/zinc/60/31/77/668603177.db2.gz FHDADRCDFPAMGM-ZYHUDNBSSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(Cn1nccn1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024005640 668603697 /nfs/dbraw/zinc/60/36/97/668603697.db2.gz QHZASKYACKQKSB-NEPJUHHUSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1nccn1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024005641 668603658 /nfs/dbraw/zinc/60/36/58/668603658.db2.gz QHZASKYACKQKSB-NWDGAFQWSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1nccn1)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024005642 668603776 /nfs/dbraw/zinc/60/37/76/668603776.db2.gz QHZASKYACKQKSB-RYUDHWBXSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1nccn1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024005643 668603847 /nfs/dbraw/zinc/60/38/47/668603847.db2.gz QHZASKYACKQKSB-VXGBXAGGSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)Cn3nccn3)C2)nc1=O ZINC001024006121 668603618 /nfs/dbraw/zinc/60/36/18/668603618.db2.gz YFCYLNAYBHFEJS-LLVKDONJSA-N 1 0 334.384 -1.272 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3nccn3)C2)nc1=O ZINC001024006123 668603689 /nfs/dbraw/zinc/60/36/89/668603689.db2.gz YFCYLNAYBHFEJS-NSHDSACASA-N 1 0 334.384 -1.272 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024020631 668604411 /nfs/dbraw/zinc/60/44/11/668604411.db2.gz OLBPGFDRDXTBTI-CHWSQXEVSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024020633 668604228 /nfs/dbraw/zinc/60/42/28/668604228.db2.gz OLBPGFDRDXTBTI-OLZOCXBDSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024020635 668604160 /nfs/dbraw/zinc/60/41/60/668604160.db2.gz OLBPGFDRDXTBTI-QWHCGFSZSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024020637 668604428 /nfs/dbraw/zinc/60/44/28/668604428.db2.gz OLBPGFDRDXTBTI-STQMWFEESA-N 1 0 338.408 -1.438 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001024021482 668604207 /nfs/dbraw/zinc/60/42/07/668604207.db2.gz FXSJNRSMQDLCNA-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001024021483 668604276 /nfs/dbraw/zinc/60/42/76/668604276.db2.gz FXSJNRSMQDLCNA-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001024021484 668604148 /nfs/dbraw/zinc/60/41/48/668604148.db2.gz FZVWNYZXPJZSFB-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001024021485 668604270 /nfs/dbraw/zinc/60/42/70/668604270.db2.gz FZVWNYZXPJZSFB-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001024021492 668604420 /nfs/dbraw/zinc/60/44/20/668604420.db2.gz GEZSVOIGCBZTLK-KOLCDFICSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001024021493 668604196 /nfs/dbraw/zinc/60/41/96/668604196.db2.gz GEZSVOIGCBZTLK-ONGXEEELSA-N 1 0 336.352 -1.004 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001024022196 668604381 /nfs/dbraw/zinc/60/43/81/668604381.db2.gz QCYGJWBWCBVLOY-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001024022197 668604369 /nfs/dbraw/zinc/60/43/69/668604369.db2.gz QCYGJWBWCBVLOY-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001024022242 668604353 /nfs/dbraw/zinc/60/43/53/668604353.db2.gz RIJAHDUCDVOFCX-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001024022243 668604170 /nfs/dbraw/zinc/60/41/70/668604170.db2.gz RIJAHDUCDVOFCX-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001024022294 668604223 /nfs/dbraw/zinc/60/42/23/668604223.db2.gz SOMXDQHBHYUBGV-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001024022295 668604414 /nfs/dbraw/zinc/60/44/14/668604414.db2.gz SOMXDQHBHYUBGV-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001024022817 668604337 /nfs/dbraw/zinc/60/43/37/668604337.db2.gz DJWCNVMUZBJNDR-LLVKDONJSA-N 1 0 346.395 -1.054 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001024022820 668604395 /nfs/dbraw/zinc/60/43/95/668604395.db2.gz DJWCNVMUZBJNDR-NSHDSACASA-N 1 0 346.395 -1.054 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)C(N)=O)C2)nc1=O ZINC001024027463 668604810 /nfs/dbraw/zinc/60/48/10/668604810.db2.gz SGNOWYSILFGIDR-JTQLQIEISA-N 1 0 338.412 -1.052 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)C(C)(C)C(N)=O)C2)nc1=O ZINC001024027465 668604898 /nfs/dbraw/zinc/60/48/98/668604898.db2.gz SGNOWYSILFGIDR-SNVBAGLBSA-N 1 0 338.412 -1.052 20 0 EAADRO C[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001024041083 668605126 /nfs/dbraw/zinc/60/51/26/668605126.db2.gz SUQZBJZYOMBYBR-GHMZBOCLSA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001024041084 668605434 /nfs/dbraw/zinc/60/54/34/668605434.db2.gz SUQZBJZYOMBYBR-MNOVXSKESA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001024041085 668605180 /nfs/dbraw/zinc/60/51/80/668605180.db2.gz SUQZBJZYOMBYBR-QWRGUYRKSA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001024041086 668605371 /nfs/dbraw/zinc/60/53/71/668605371.db2.gz SUQZBJZYOMBYBR-WDEREUQCSA-N 1 0 344.441 -1.029 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)c1=O ZINC001024045213 668604916 /nfs/dbraw/zinc/60/49/16/668604916.db2.gz DRTYIKIVPOUASX-LLVKDONJSA-N 1 0 349.399 -1.866 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)c1=O ZINC001024045214 668604889 /nfs/dbraw/zinc/60/48/89/668604889.db2.gz DRTYIKIVPOUASX-NSHDSACASA-N 1 0 349.399 -1.866 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@H](C[NH2+]Cc3ncnn3C)C2)c1=O ZINC001024045320 668604879 /nfs/dbraw/zinc/60/48/79/668604879.db2.gz GDYXGXMRCUWYHP-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@H](C[NH2+]Cc3ncnn3C)C2)c1=O ZINC001024045321 668604932 /nfs/dbraw/zinc/60/49/32/668604932.db2.gz GDYXGXMRCUWYHP-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@H](C[NH2+]Cc3cnon3)C2)c1=O ZINC001024045439 668604919 /nfs/dbraw/zinc/60/49/19/668604919.db2.gz HYSXNISJZQJBIS-LLVKDONJSA-N 1 0 335.368 -1.007 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@H](C[NH2+]Cc3cnon3)C2)c1=O ZINC001024045440 668604961 /nfs/dbraw/zinc/60/49/61/668604961.db2.gz HYSXNISJZQJBIS-NSHDSACASA-N 1 0 335.368 -1.007 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@H](C[NH2+]Cc3cnnn3C)C2)c1=O ZINC001024045619 668604942 /nfs/dbraw/zinc/60/49/42/668604942.db2.gz LYZZFLOQEVWGQE-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@H](C[NH2+]Cc3cnnn3C)C2)c1=O ZINC001024045620 668604555 /nfs/dbraw/zinc/60/45/55/668604555.db2.gz LYZZFLOQEVWGQE-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001024045627 668604704 /nfs/dbraw/zinc/60/47/04/668604704.db2.gz MFYNXSHONRIHIE-NEPJUHHUSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001024045628 668604593 /nfs/dbraw/zinc/60/45/93/668604593.db2.gz MFYNXSHONRIHIE-NWDGAFQWSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001024045629 668604976 /nfs/dbraw/zinc/60/49/76/668604976.db2.gz MFYNXSHONRIHIE-RYUDHWBXSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001024045630 668604978 /nfs/dbraw/zinc/60/49/78/668604978.db2.gz MFYNXSHONRIHIE-VXGBXAGGSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001024046000 668604938 /nfs/dbraw/zinc/60/49/38/668604938.db2.gz UNIZDOYUUIDISF-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001024046001 668604787 /nfs/dbraw/zinc/60/47/87/668604787.db2.gz UNIZDOYUUIDISF-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@H](C[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001024046024 668604826 /nfs/dbraw/zinc/60/48/26/668604826.db2.gz VIRUJAJQUJEOKD-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@H](C[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001024046025 668604905 /nfs/dbraw/zinc/60/49/05/668604905.db2.gz VIRUJAJQUJEOKD-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001024046104 668604748 /nfs/dbraw/zinc/60/47/48/668604748.db2.gz XYEPMZJXPONHHA-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001024046105 668604928 /nfs/dbraw/zinc/60/49/28/668604928.db2.gz XYEPMZJXPONHHA-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024046385 668605467 /nfs/dbraw/zinc/60/54/67/668605467.db2.gz JCBQXUKCWXXMSH-NXEZZACHSA-N 1 0 340.405 -1.404 20 0 EAADRO Cc1c(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)cnn1C ZINC001024053704 668605782 /nfs/dbraw/zinc/60/57/82/668605782.db2.gz GMEGKHUMAQYMPQ-BPLDGKMQSA-N 1 0 349.435 -1.089 20 0 EAADRO Cc1c(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)cnn1C ZINC001024053705 668606030 /nfs/dbraw/zinc/60/60/30/668606030.db2.gz GMEGKHUMAQYMPQ-NWANDNLSSA-N 1 0 349.435 -1.089 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024054596 668605983 /nfs/dbraw/zinc/60/59/83/668605983.db2.gz BPLWUAASAMKVOT-NEPJUHHUSA-N 1 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O=C(C[C@H]1CCNC1=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024073754 668609090 /nfs/dbraw/zinc/60/90/90/668609090.db2.gz WTFIJHQVSILQMR-JHJVBQTASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024073755 668609337 /nfs/dbraw/zinc/60/93/37/668609337.db2.gz WTFIJHQVSILQMR-YNEHKIRRSA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001024076219 668609478 /nfs/dbraw/zinc/60/94/78/668609478.db2.gz HYURSJCRGMUFGR-ZBYUQBLASA-N 1 0 335.404 -1.193 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001024088655 668610911 /nfs/dbraw/zinc/61/09/11/668610911.db2.gz ITEYCNVUVWKESL-CMPLNLGQSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001024088656 668610755 /nfs/dbraw/zinc/61/07/55/668610755.db2.gz ITEYCNVUVWKESL-JQWIXIFHSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001024088657 668610916 /nfs/dbraw/zinc/61/09/16/668610916.db2.gz ITEYCNVUVWKESL-PWSUYJOCSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001024088658 668610859 /nfs/dbraw/zinc/61/08/59/668610859.db2.gz ITEYCNVUVWKESL-ZYHUDNBSSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001024092425 668611969 /nfs/dbraw/zinc/61/19/69/668611969.db2.gz BKHAFSVKWYDNIC-CYBMUJFWSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001024092426 668611931 /nfs/dbraw/zinc/61/19/31/668611931.db2.gz BKHAFSVKWYDNIC-ZDUSSCGKSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001024092485 668612008 /nfs/dbraw/zinc/61/20/08/668612008.db2.gz CIPKPUZEXPUXRI-CYBMUJFWSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001024092486 668611900 /nfs/dbraw/zinc/61/19/00/668611900.db2.gz CIPKPUZEXPUXRI-ZDUSSCGKSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001024092593 668611855 /nfs/dbraw/zinc/61/18/55/668611855.db2.gz FJJDYFMESKZYSD-CYBMUJFWSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001024092594 668611844 /nfs/dbraw/zinc/61/18/44/668611844.db2.gz FJJDYFMESKZYSD-ZDUSSCGKSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)n1 ZINC001024092777 668611292 /nfs/dbraw/zinc/61/12/92/668611292.db2.gz IGIVXIHQTWFXEQ-CYBMUJFWSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)n1 ZINC001024092778 668611263 /nfs/dbraw/zinc/61/12/63/668611263.db2.gz IGIVXIHQTWFXEQ-ZDUSSCGKSA-N 1 0 349.439 -1.425 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024093027 668611507 /nfs/dbraw/zinc/61/15/07/668611507.db2.gz NFFHUGJWEDUAPZ-CHWSQXEVSA-N 1 0 337.424 -1.865 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024093028 668611234 /nfs/dbraw/zinc/61/12/34/668611234.db2.gz NFFHUGJWEDUAPZ-OLZOCXBDSA-N 1 0 337.424 -1.865 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024093029 668611419 /nfs/dbraw/zinc/61/14/19/668611419.db2.gz NFFHUGJWEDUAPZ-QWHCGFSZSA-N 1 0 337.424 -1.865 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024093030 668611270 /nfs/dbraw/zinc/61/12/70/668611270.db2.gz NFFHUGJWEDUAPZ-STQMWFEESA-N 1 0 337.424 -1.865 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)nc1=O ZINC001024093051 668611385 /nfs/dbraw/zinc/61/13/85/668611385.db2.gz NKHJBQFFBPUYON-GHMZBOCLSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)nc1=O ZINC001024093052 668611337 /nfs/dbraw/zinc/61/13/37/668611337.db2.gz NKHJBQFFBPUYON-MNOVXSKESA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)nc1=O ZINC001024093053 668611319 /nfs/dbraw/zinc/61/13/19/668611319.db2.gz NKHJBQFFBPUYON-QWRGUYRKSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)nc1=O ZINC001024093054 668611518 /nfs/dbraw/zinc/61/15/18/668611518.db2.gz NKHJBQFFBPUYON-WDEREUQCSA-N 1 0 336.396 -1.427 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001024093239 668611276 /nfs/dbraw/zinc/61/12/76/668611276.db2.gz RKGCHLYDLOBZRX-GFCCVEGCSA-N 1 0 336.396 -1.170 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001024093240 668611304 /nfs/dbraw/zinc/61/13/04/668611304.db2.gz RKGCHLYDLOBZRX-LBPRGKRZSA-N 1 0 336.396 -1.170 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC001024093253 668611255 /nfs/dbraw/zinc/61/12/55/668611255.db2.gz RQBDZWFHIJBPBX-CYBMUJFWSA-N 1 0 349.439 -1.127 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC001024093254 668611301 /nfs/dbraw/zinc/61/13/01/668611301.db2.gz RQBDZWFHIJBPBX-ZDUSSCGKSA-N 1 0 349.439 -1.127 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001024093454 668611472 /nfs/dbraw/zinc/61/14/72/668611472.db2.gz VRQOWMHRFBRGID-CYBMUJFWSA-N 1 0 349.439 -1.425 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001024093455 668611456 /nfs/dbraw/zinc/61/14/56/668611456.db2.gz VRQOWMHRFBRGID-ZDUSSCGKSA-N 1 0 349.439 -1.425 20 0 EAADRO CN1C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)NC1=O ZINC001024093542 668611448 /nfs/dbraw/zinc/61/14/48/668611448.db2.gz WWHGJMWAMZAZSS-GHMZBOCLSA-N 1 0 336.400 -1.438 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)NC1=O ZINC001024093543 668611484 /nfs/dbraw/zinc/61/14/84/668611484.db2.gz WWHGJMWAMZAZSS-MNOVXSKESA-N 1 0 336.400 -1.438 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)NC1=O ZINC001024093544 668611324 /nfs/dbraw/zinc/61/13/24/668611324.db2.gz WWHGJMWAMZAZSS-QWRGUYRKSA-N 1 0 336.400 -1.438 20 0 EAADRO CN1C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)NC1=O ZINC001024093545 668611280 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335.368 -1.543 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001024106415 668612323 /nfs/dbraw/zinc/61/23/23/668612323.db2.gz WMPOCKVWPZLRJL-ZJUUUORDSA-N 1 0 335.368 -1.543 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001024106458 668612445 /nfs/dbraw/zinc/61/24/45/668612445.db2.gz XIYPRSQPSQVPRI-NXEZZACHSA-N 1 0 334.388 -1.063 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001024106459 668612490 /nfs/dbraw/zinc/61/24/90/668612490.db2.gz XIYPRSQPSQVPRI-UWVGGRQHSA-N 1 0 334.388 -1.063 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001024106460 668612405 /nfs/dbraw/zinc/61/24/05/668612405.db2.gz XIYPRSQPSQVPRI-VHSXEESVSA-N 1 0 334.388 -1.063 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001024106461 668612389 /nfs/dbraw/zinc/61/23/89/668612389.db2.gz XIYPRSQPSQVPRI-ZJUUUORDSA-N 1 0 334.388 -1.063 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC1=O ZINC001024112167 668612810 /nfs/dbraw/zinc/61/28/10/668612810.db2.gz JZPDRASRBAATKF-JHJVBQTASA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC1=O ZINC001024112168 668613057 /nfs/dbraw/zinc/61/30/57/668613057.db2.gz JZPDRASRBAATKF-YNEHKIRRSA-N 1 0 338.408 -1.752 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024120840 668615770 /nfs/dbraw/zinc/61/57/70/668615770.db2.gz QCKOXHCELXGVRT-GRYCIOLGSA-N 1 0 326.397 -1.576 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024120841 668615887 /nfs/dbraw/zinc/61/58/87/668615887.db2.gz QCKOXHCELXGVRT-IJLUTSLNSA-N 1 0 326.397 -1.576 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024122207 668615854 /nfs/dbraw/zinc/61/58/54/668615854.db2.gz QYSHVYFJKLZNNN-GRYCIOLGSA-N 1 0 336.396 -1.019 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024122208 668615947 /nfs/dbraw/zinc/61/59/47/668615947.db2.gz QYSHVYFJKLZNNN-IJLUTSLNSA-N 1 0 336.396 -1.019 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001024122300 668615879 /nfs/dbraw/zinc/61/58/79/668615879.db2.gz VJVUMAWLYBFLRP-FRRDWIJNSA-N 1 0 336.396 -1.019 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001024122301 668615698 /nfs/dbraw/zinc/61/56/98/668615698.db2.gz VJVUMAWLYBFLRP-JHJVBQTASA-N 1 0 336.396 -1.019 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)nc1=O ZINC001024122972 668615714 /nfs/dbraw/zinc/61/57/14/668615714.db2.gz NMVOHGZPCAOESD-JTQLQIEISA-N 1 0 347.379 -1.166 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)nc1=O ZINC001024122973 668615913 /nfs/dbraw/zinc/61/59/13/668615913.db2.gz NMVOHGZPCAOESD-SNVBAGLBSA-N 1 0 347.379 -1.166 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001024123334 668615750 /nfs/dbraw/zinc/61/57/50/668615750.db2.gz XAOZRIRLLKAKGU-JTQLQIEISA-N 1 0 332.368 -1.065 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001024123335 668615927 /nfs/dbraw/zinc/61/59/27/668615927.db2.gz XAOZRIRLLKAKGU-SNVBAGLBSA-N 1 0 332.368 -1.065 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@H]1CCCN(C(=O)C(N)=O)C1)[nH]c2=O ZINC001024126098 668616233 /nfs/dbraw/zinc/61/62/33/668616233.db2.gz CKLSTJRUUJGRDW-SECBINFHSA-N 1 0 347.379 -1.118 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@@H]1CCCN(C(=O)C(N)=O)C1)[nH]c2=O ZINC001024126099 668616426 /nfs/dbraw/zinc/61/64/26/668616426.db2.gz CKLSTJRUUJGRDW-VIFPVBQESA-N 1 0 347.379 -1.118 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC001024126340 668616424 /nfs/dbraw/zinc/61/64/24/668616424.db2.gz HQJFQDLCDMEOLR-NEPJUHHUSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC001024126341 668616220 /nfs/dbraw/zinc/61/62/20/668616220.db2.gz HQJFQDLCDMEOLR-NWDGAFQWSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC001024126342 668616485 /nfs/dbraw/zinc/61/64/85/668616485.db2.gz HQJFQDLCDMEOLR-RYUDHWBXSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC001024126343 668616440 /nfs/dbraw/zinc/61/64/40/668616440.db2.gz HQJFQDLCDMEOLR-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)c1 ZINC001024128480 668616401 /nfs/dbraw/zinc/61/64/01/668616401.db2.gz RBJFQAMCJAQNEW-ZIAGYGMSSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)c1 ZINC001024128523 668616479 /nfs/dbraw/zinc/61/64/79/668616479.db2.gz SWYRISMCQCPONT-CHWSQXEVSA-N 1 0 334.376 -1.465 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@H]3CCCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001024129000 668616309 /nfs/dbraw/zinc/61/63/09/668616309.db2.gz HYMKMXXRFBWASI-NEPJUHHUSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001024129001 668616174 /nfs/dbraw/zinc/61/61/74/668616174.db2.gz HYMKMXXRFBWASI-NWDGAFQWSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001024129002 668616393 /nfs/dbraw/zinc/61/63/93/668616393.db2.gz HYMKMXXRFBWASI-RYUDHWBXSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001024129003 668616471 /nfs/dbraw/zinc/61/64/71/668616471.db2.gz HYMKMXXRFBWASI-VXGBXAGGSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H]3CCCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001024129018 668616418 /nfs/dbraw/zinc/61/64/18/668616418.db2.gz IMNBIYZVAGRHCG-AAEUAGOBSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H]3CCCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001024129019 668616250 /nfs/dbraw/zinc/61/62/50/668616250.db2.gz IMNBIYZVAGRHCG-DGCLKSJQSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001024129020 668616473 /nfs/dbraw/zinc/61/64/73/668616473.db2.gz IMNBIYZVAGRHCG-WCQYABFASA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@H]3CCCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001024129021 668616433 /nfs/dbraw/zinc/61/64/33/668616433.db2.gz IMNBIYZVAGRHCG-YPMHNXCESA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1=O ZINC001024129634 668616334 /nfs/dbraw/zinc/61/63/34/668616334.db2.gz WOQOIDRXKOSGPU-NXEZZACHSA-N 1 0 337.384 -1.882 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1=O ZINC001024129635 668616487 /nfs/dbraw/zinc/61/64/87/668616487.db2.gz WOQOIDRXKOSGPU-UWVGGRQHSA-N 1 0 337.384 -1.882 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1=O ZINC001024129636 668616475 /nfs/dbraw/zinc/61/64/75/668616475.db2.gz WOQOIDRXKOSGPU-VHSXEESVSA-N 1 0 337.384 -1.882 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1=O ZINC001024129637 668616356 /nfs/dbraw/zinc/61/63/56/668616356.db2.gz WOQOIDRXKOSGPU-ZJUUUORDSA-N 1 0 337.384 -1.882 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)nc1=O ZINC001024131131 668616452 /nfs/dbraw/zinc/61/64/52/668616452.db2.gz NJQMWILMYHGVER-JTQLQIEISA-N 1 0 336.396 -1.298 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)nc1=O ZINC001024131132 668616463 /nfs/dbraw/zinc/61/64/63/668616463.db2.gz NJQMWILMYHGVER-SNVBAGLBSA-N 1 0 336.396 -1.298 20 0 EAADRO NC(=O)C1(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001024131135 668616414 /nfs/dbraw/zinc/61/64/14/668616414.db2.gz NRPLWZHQCJFYFN-GHMZBOCLSA-N 1 0 336.392 -1.115 20 0 EAADRO NC(=O)C1(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001024131136 668616242 /nfs/dbraw/zinc/61/62/42/668616242.db2.gz NRPLWZHQCJFYFN-MNOVXSKESA-N 1 0 336.392 -1.115 20 0 EAADRO NC(=O)C1(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001024131137 668616306 /nfs/dbraw/zinc/61/63/06/668616306.db2.gz NRPLWZHQCJFYFN-QWRGUYRKSA-N 1 0 336.392 -1.115 20 0 EAADRO NC(=O)C1(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001024131138 668616801 /nfs/dbraw/zinc/61/68/01/668616801.db2.gz NRPLWZHQCJFYFN-WDEREUQCSA-N 1 0 336.392 -1.115 20 0 EAADRO Cn1c(C[NH2+]C[C@@H]2CCCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC001024131849 668616741 /nfs/dbraw/zinc/61/67/41/668616741.db2.gz WOZJVQXEMRFEAM-JTQLQIEISA-N 1 0 337.380 -2.103 20 0 EAADRO Cn1c(C[NH2+]C[C@H]2CCCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC001024131851 668616664 /nfs/dbraw/zinc/61/66/64/668616664.db2.gz WOZJVQXEMRFEAM-SNVBAGLBSA-N 1 0 337.380 -2.103 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024133355 668616886 /nfs/dbraw/zinc/61/68/86/668616886.db2.gz RXOWHHJVKYYCHA-GRYCIOLGSA-N 1 0 326.397 -1.576 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024133358 668616806 /nfs/dbraw/zinc/61/68/06/668616806.db2.gz RXOWHHJVKYYCHA-IJLUTSLNSA-N 1 0 326.397 -1.576 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024134466 668616710 /nfs/dbraw/zinc/61/67/10/668616710.db2.gz BQIIBKOCSZNMOK-ZIAGYGMSSA-N 1 0 348.403 -1.075 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024135361 668616906 /nfs/dbraw/zinc/61/69/06/668616906.db2.gz OWEXFTYAEULBPM-CHWSQXEVSA-N 1 0 334.376 -1.465 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001024136482 668616819 /nfs/dbraw/zinc/61/68/19/668616819.db2.gz HMJYWNIHPNFGPD-FRRDWIJNSA-N 1 0 336.396 -1.019 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001024136483 668616861 /nfs/dbraw/zinc/61/68/61/668616861.db2.gz HMJYWNIHPNFGPD-JHJVBQTASA-N 1 0 336.396 -1.019 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024137483 668617157 /nfs/dbraw/zinc/61/71/57/668617157.db2.gz PZSLSQPILMVHGL-GRYCIOLGSA-N 1 0 336.396 -1.019 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024137484 668617211 /nfs/dbraw/zinc/61/72/11/668617211.db2.gz PZSLSQPILMVHGL-IJLUTSLNSA-N 1 0 336.396 -1.019 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001024150044 668618043 /nfs/dbraw/zinc/61/80/43/668618043.db2.gz DDEBPRWPYRFPIB-JHJVBQTASA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001024150045 668618342 /nfs/dbraw/zinc/61/83/42/668618342.db2.gz DDEBPRWPYRFPIB-YNEHKIRRSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001024150282 668618364 /nfs/dbraw/zinc/61/83/64/668618364.db2.gz LTTQDZJBQBMKRC-IJLUTSLNSA-N 1 0 326.397 -1.863 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001024150283 668618057 /nfs/dbraw/zinc/61/80/57/668618057.db2.gz LTTQDZJBQBMKRC-QJPTWQEYSA-N 1 0 326.397 -1.863 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024155770 668618735 /nfs/dbraw/zinc/61/87/35/668618735.db2.gz ZDMLUIRCTSJLPS-JHJVBQTASA-N 1 0 340.424 -1.187 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024155771 668618747 /nfs/dbraw/zinc/61/87/47/668618747.db2.gz ZDMLUIRCTSJLPS-YNEHKIRRSA-N 1 0 340.424 -1.187 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024157543 668618847 /nfs/dbraw/zinc/61/88/47/668618847.db2.gz OBXIDECQNJQGMM-IJLUTSLNSA-N 1 0 326.397 -1.578 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024157544 668618818 /nfs/dbraw/zinc/61/88/18/668618818.db2.gz OBXIDECQNJQGMM-QJPTWQEYSA-N 1 0 326.397 -1.578 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001024157684 668618743 /nfs/dbraw/zinc/61/87/43/668618743.db2.gz QZBDKYLNQVAVTR-FRRDWIJNSA-N 1 0 338.408 -1.433 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001024157685 668618802 /nfs/dbraw/zinc/61/88/02/668618802.db2.gz QZBDKYLNQVAVTR-JHJVBQTASA-N 1 0 338.408 -1.433 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001024158554 668618682 /nfs/dbraw/zinc/61/86/82/668618682.db2.gz WCSFNHQOQNFXIZ-AXFHLTTASA-N 1 0 336.396 -1.442 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001024158555 668618900 /nfs/dbraw/zinc/61/89/00/668618900.db2.gz WCSFNHQOQNFXIZ-MXWKQRLJSA-N 1 0 336.396 -1.442 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001024172244 668620314 /nfs/dbraw/zinc/62/03/14/668620314.db2.gz XKKXVBRMSODSJF-JHJVBQTASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001024172245 668620245 /nfs/dbraw/zinc/62/02/45/668620245.db2.gz XKKXVBRMSODSJF-YNEHKIRRSA-N 1 0 338.408 -1.704 20 0 EAADRO Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024176183 668622268 /nfs/dbraw/zinc/62/22/68/668622268.db2.gz LGNWNZCMYOMWKB-JHJVBQTASA-N 1 0 335.408 -1.018 20 0 EAADRO Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024176184 668622159 /nfs/dbraw/zinc/62/21/59/668622159.db2.gz LGNWNZCMYOMWKB-YNEHKIRRSA-N 1 0 335.408 -1.018 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001024180696 668622188 /nfs/dbraw/zinc/62/21/88/668622188.db2.gz BPSOEFSZFCWADK-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001024180697 668622038 /nfs/dbraw/zinc/62/20/38/668622038.db2.gz BPSOEFSZFCWADK-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001024180957 668622239 /nfs/dbraw/zinc/62/22/39/668622239.db2.gz FDDLGNGLWMDZTC-KOLCDFICSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001024180959 668622116 /nfs/dbraw/zinc/62/21/16/668622116.db2.gz FDDLGNGLWMDZTC-ONGXEEELSA-N 1 0 336.352 -1.004 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001024181544 668622539 /nfs/dbraw/zinc/62/25/39/668622539.db2.gz IUHDYDKKUHPARW-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001024181546 668622659 /nfs/dbraw/zinc/62/26/59/668622659.db2.gz IUHDYDKKUHPARW-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001024181912 668622619 /nfs/dbraw/zinc/62/26/19/668622619.db2.gz LJMYAMKTCRXFKY-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001024181913 668622699 /nfs/dbraw/zinc/62/26/99/668622699.db2.gz LJMYAMKTCRXFKY-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001024182211 668622508 /nfs/dbraw/zinc/62/25/08/668622508.db2.gz OCRUFFKFTHMPRS-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001024182212 668622671 /nfs/dbraw/zinc/62/26/71/668622671.db2.gz OCRUFFKFTHMPRS-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001024182517 668622704 /nfs/dbraw/zinc/62/27/04/668622704.db2.gz SEIUCELTPMFQNQ-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001024182518 668622718 /nfs/dbraw/zinc/62/27/18/668622718.db2.gz SEIUCELTPMFQNQ-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001024184086 668622977 /nfs/dbraw/zinc/62/29/77/668622977.db2.gz CYCDPDXRPYHVEW-GRYCIOLGSA-N 1 0 335.364 -1.422 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001024184088 668623100 /nfs/dbraw/zinc/62/31/00/668623100.db2.gz CYCDPDXRPYHVEW-IJLUTSLNSA-N 1 0 335.364 -1.422 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001024184358 668623154 /nfs/dbraw/zinc/62/31/54/668623154.db2.gz JNFLHXPGTZDHRU-CHWSQXEVSA-N 1 0 349.391 -1.175 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001024184737 668623070 /nfs/dbraw/zinc/62/30/70/668623070.db2.gz SAUOGILJLOKUSW-CYZMBNFOSA-N 1 0 349.391 -1.175 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001024184738 668623240 /nfs/dbraw/zinc/62/32/40/668623240.db2.gz SAUOGILJLOKUSW-RAIGVLPGSA-N 1 0 349.391 -1.175 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001024184849 668623111 /nfs/dbraw/zinc/62/31/11/668623111.db2.gz UASUHMZERHCVSN-VXGBXAGGSA-N 1 0 347.375 -1.421 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)[NH+](C)C ZINC001024185096 668623536 /nfs/dbraw/zinc/62/35/36/668623536.db2.gz ZMPHVGSRASBFOC-GRYCIOLGSA-N 1 0 337.380 -1.176 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)[NH+](C)C ZINC001024185097 668623392 /nfs/dbraw/zinc/62/33/92/668623392.db2.gz ZMPHVGSRASBFOC-IJLUTSLNSA-N 1 0 337.380 -1.176 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)C1CC1 ZINC001024186648 668623489 /nfs/dbraw/zinc/62/34/89/668623489.db2.gz HQFHOWDFVRXCOA-BZPMIXESSA-N 1 0 349.391 -1.176 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)C1CC1 ZINC001024186649 668623408 /nfs/dbraw/zinc/62/34/08/668623408.db2.gz HQFHOWDFVRXCOA-YRGRVCCFSA-N 1 0 349.391 -1.176 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001024186661 668623558 /nfs/dbraw/zinc/62/35/58/668623558.db2.gz HZGXLWGGACOXOT-CYZMBNFOSA-N 1 0 349.391 -1.175 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001024186662 668623429 /nfs/dbraw/zinc/62/34/29/668623429.db2.gz HZGXLWGGACOXOT-RAIGVLPGSA-N 1 0 349.391 -1.175 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001024186677 668623525 /nfs/dbraw/zinc/62/35/25/668623525.db2.gz ILOGGULVNPLWKN-CYZMBNFOSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001024186678 668623451 /nfs/dbraw/zinc/62/34/51/668623451.db2.gz ILOGGULVNPLWKN-RAIGVLPGSA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)C1CCC1 ZINC001024186683 668623716 /nfs/dbraw/zinc/62/37/16/668623716.db2.gz IPZJMWYQCCIQGX-CHWSQXEVSA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001024186689 668623515 /nfs/dbraw/zinc/62/35/15/668623515.db2.gz JAZXCSGVZBCXMD-FRRDWIJNSA-N 1 0 349.391 -1.032 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001024186690 668623676 /nfs/dbraw/zinc/62/36/76/668623676.db2.gz JAZXCSGVZBCXMD-JHJVBQTASA-N 1 0 349.391 -1.032 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)CCC1 ZINC001024186835 668623706 /nfs/dbraw/zinc/62/37/06/668623706.db2.gz LGICPYFVQPSCAQ-VXGBXAGGSA-N 1 0 349.391 -1.032 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001024187695 668624122 /nfs/dbraw/zinc/62/41/22/668624122.db2.gz DJYHRBLUCBVSCP-VXGBXAGGSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024187835 668624108 /nfs/dbraw/zinc/62/41/08/668624108.db2.gz GJLHDYIDVQOTKN-GMTAPVOTSA-N 1 0 337.380 -1.181 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024187836 668624043 /nfs/dbraw/zinc/62/40/43/668624043.db2.gz GJLHDYIDVQOTKN-OUAUKWLOSA-N 1 0 337.380 -1.181 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)CC[N@@H+]1C ZINC001024188344 668624632 /nfs/dbraw/zinc/62/46/32/668624632.db2.gz RXWXFBRWRPDPEZ-OJAKKHQRSA-N 1 0 349.391 -1.176 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001024188427 668624560 /nfs/dbraw/zinc/62/45/60/668624560.db2.gz SOUUQQHRGFRWEQ-MVWJERBFSA-N 1 0 335.364 -1.565 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001024188430 668624666 /nfs/dbraw/zinc/62/46/66/668624666.db2.gz SOUUQQHRGFRWEQ-YUSALJHKSA-N 1 0 335.364 -1.565 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024189409 668624420 /nfs/dbraw/zinc/62/44/20/668624420.db2.gz BVWGXAGDGMOXET-GMTAPVOTSA-N 1 0 337.380 -1.323 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024189410 668624643 /nfs/dbraw/zinc/62/46/43/668624643.db2.gz BVWGXAGDGMOXET-HBNTYKKESA-N 1 0 337.380 -1.323 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024189457 668624649 /nfs/dbraw/zinc/62/46/49/668624649.db2.gz FBTBRXAVEHSDNW-GHMZBOCLSA-N 1 0 349.391 -1.179 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024189860 668624526 /nfs/dbraw/zinc/62/45/26/668624526.db2.gz ODJFAZSNAOKVQA-GHMZBOCLSA-N 1 0 337.380 -1.179 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001024197104 668627379 /nfs/dbraw/zinc/62/73/79/668627379.db2.gz RWUIPAKBZUCXGL-FDYHWXHSSA-N 1 0 338.408 -1.563 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1)[NH+](C)C ZINC001024197396 668627285 /nfs/dbraw/zinc/62/72/85/668627285.db2.gz ZPBUOGAJSUYYID-FDYHWXHSSA-N 1 0 340.424 -1.317 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024199434 668627345 /nfs/dbraw/zinc/62/73/45/668627345.db2.gz IFVAXMYIMSUDCG-CMPLNLGQSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024199435 668627230 /nfs/dbraw/zinc/62/72/30/668627230.db2.gz IFVAXMYIMSUDCG-JQWIXIFHSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024199436 668627427 /nfs/dbraw/zinc/62/74/27/668627427.db2.gz IFVAXMYIMSUDCG-PWSUYJOCSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024199437 668627241 /nfs/dbraw/zinc/62/72/41/668627241.db2.gz IFVAXMYIMSUDCG-ZYHUDNBSSA-N 1 0 336.392 -1.244 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001024199464 668627315 /nfs/dbraw/zinc/62/73/15/668627315.db2.gz JLVCHOAFCPWISY-JTQLQIEISA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001024199465 668627303 /nfs/dbraw/zinc/62/73/03/668627303.db2.gz JLVCHOAFCPWISY-SNVBAGLBSA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001024199567 668627193 /nfs/dbraw/zinc/62/71/93/668627193.db2.gz MINWALINRQWSMT-JTQLQIEISA-N 1 0 334.384 -1.121 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001024199568 668627236 /nfs/dbraw/zinc/62/72/36/668627236.db2.gz MINWALINRQWSMT-SNVBAGLBSA-N 1 0 334.384 -1.121 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024201275 668627273 /nfs/dbraw/zinc/62/72/73/668627273.db2.gz CLLQQTAGXHZDLO-GHMZBOCLSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024201276 668627673 /nfs/dbraw/zinc/62/76/73/668627673.db2.gz CLLQQTAGXHZDLO-MNOVXSKESA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024201447 668627758 /nfs/dbraw/zinc/62/77/58/668627758.db2.gz CLLQQTAGXHZDLO-QWRGUYRKSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024201448 668627941 /nfs/dbraw/zinc/62/79/41/668627941.db2.gz CLLQQTAGXHZDLO-WDEREUQCSA-N 1 0 337.380 -1.745 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001024201730 668627769 /nfs/dbraw/zinc/62/77/69/668627769.db2.gz GNJKBNIVHYUQMK-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001024201731 668627787 /nfs/dbraw/zinc/62/77/87/668627787.db2.gz GNJKBNIVHYUQMK-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001024202029 668627717 /nfs/dbraw/zinc/62/77/17/668627717.db2.gz MTCHEPLVEMMFCM-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001024202030 668627841 /nfs/dbraw/zinc/62/78/41/668627841.db2.gz MTCHEPLVEMMFCM-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001024202087 668627915 /nfs/dbraw/zinc/62/79/15/668627915.db2.gz NXGOMTJEOIGUHU-JTQLQIEISA-N 1 0 336.352 -1.050 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001024202088 668627883 /nfs/dbraw/zinc/62/78/83/668627883.db2.gz NXGOMTJEOIGUHU-SNVBAGLBSA-N 1 0 336.352 -1.050 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001024202219 668627896 /nfs/dbraw/zinc/62/78/96/668627896.db2.gz QWKLYHTZOXIDPR-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001024202220 668627963 /nfs/dbraw/zinc/62/79/63/668627963.db2.gz QWKLYHTZOXIDPR-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001024202347 668625221 /nfs/dbraw/zinc/62/52/21/668625221.db2.gz UKTHCPRPNRPLJA-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001024202348 668625099 /nfs/dbraw/zinc/62/50/99/668625099.db2.gz UKTHCPRPNRPLJA-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001024202464 668625180 /nfs/dbraw/zinc/62/51/80/668625180.db2.gz VVCYHIDNKSHLDN-LLVKDONJSA-N 1 0 349.395 -1.007 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001024202465 668624982 /nfs/dbraw/zinc/62/49/82/668624982.db2.gz VVCYHIDNKSHLDN-NSHDSACASA-N 1 0 349.395 -1.007 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001024202520 668625263 /nfs/dbraw/zinc/62/52/63/668625263.db2.gz XKRFFPRYRRWACS-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001024202521 668625072 /nfs/dbraw/zinc/62/50/72/668625072.db2.gz XKRFFPRYRRWACS-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001024205985 668625940 /nfs/dbraw/zinc/62/59/40/668625940.db2.gz NVZRAZHXCUEURK-JHJVBQTASA-N 1 0 338.408 -1.561 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1)[NH+](C)C ZINC001024206430 668625919 /nfs/dbraw/zinc/62/59/19/668625919.db2.gz ZPBUOGAJSUYYID-FVCCEPFGSA-N 1 0 340.424 -1.317 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)CCn3cnnn3)C2)nc1=O ZINC001024211955 668626944 /nfs/dbraw/zinc/62/69/44/668626944.db2.gz KSGCVFKJGFHXFI-LLVKDONJSA-N 1 0 349.399 -1.487 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)CCn3cnnn3)C2)nc1=O ZINC001024211956 668626702 /nfs/dbraw/zinc/62/67/02/668626702.db2.gz KSGCVFKJGFHXFI-NSHDSACASA-N 1 0 349.399 -1.487 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001024214417 668628700 /nfs/dbraw/zinc/62/87/00/668628700.db2.gz NPVBMALOABSQRV-LLVKDONJSA-N 1 0 334.388 -1.385 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001024214418 668628793 /nfs/dbraw/zinc/62/87/93/668628793.db2.gz NPVBMALOABSQRV-NSHDSACASA-N 1 0 334.388 -1.385 20 0 EAADRO O=C(CCn1cnnn1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024214645 668628879 /nfs/dbraw/zinc/62/88/79/668628879.db2.gz SIEFYNJCHSZSHU-NEPJUHHUSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(CCn1cnnn1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024214647 668628948 /nfs/dbraw/zinc/62/89/48/668628948.db2.gz SIEFYNJCHSZSHU-NWDGAFQWSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(CCn1cnnn1)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024214648 668628955 /nfs/dbraw/zinc/62/89/55/668628955.db2.gz SIEFYNJCHSZSHU-RYUDHWBXSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(CCn1cnnn1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024214650 668628750 /nfs/dbraw/zinc/62/87/50/668628750.db2.gz SIEFYNJCHSZSHU-VXGBXAGGSA-N 1 0 349.395 -1.303 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)nc1=O ZINC001024229798 668628765 /nfs/dbraw/zinc/62/87/65/668628765.db2.gz JSUUUKKWSDJIKS-JTQLQIEISA-N 1 0 334.384 -1.203 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)nc1=O ZINC001024229799 668628728 /nfs/dbraw/zinc/62/87/28/668628728.db2.gz JSUUUKKWSDJIKS-SNVBAGLBSA-N 1 0 334.384 -1.203 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024233012 668629356 /nfs/dbraw/zinc/62/93/56/668629356.db2.gz TYKRWOOKYNTOCY-GHMZBOCLSA-N 1 0 334.380 -1.019 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024233013 668629396 /nfs/dbraw/zinc/62/93/96/668629396.db2.gz TYKRWOOKYNTOCY-MNOVXSKESA-N 1 0 334.380 -1.019 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024233014 668629183 /nfs/dbraw/zinc/62/91/83/668629183.db2.gz TYKRWOOKYNTOCY-QWRGUYRKSA-N 1 0 334.380 -1.019 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024233015 668629380 /nfs/dbraw/zinc/62/93/80/668629380.db2.gz TYKRWOOKYNTOCY-WDEREUQCSA-N 1 0 334.380 -1.019 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001024237127 668629722 /nfs/dbraw/zinc/62/97/22/668629722.db2.gz LSWYQBBNLBGDRC-FRRDWIJNSA-N 1 0 349.391 -1.329 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001024237130 668629505 /nfs/dbraw/zinc/62/95/05/668629505.db2.gz LSWYQBBNLBGDRC-JHJVBQTASA-N 1 0 349.391 -1.329 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001024238694 668629549 /nfs/dbraw/zinc/62/95/49/668629549.db2.gz GEENVULIMKIARG-CHWSQXEVSA-N 1 0 349.391 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001024239473 668630222 /nfs/dbraw/zinc/63/02/22/668630222.db2.gz SPFXBHMPJQUFES-CYZMBNFOSA-N 1 0 349.391 -1.471 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001024239474 668630242 /nfs/dbraw/zinc/63/02/42/668630242.db2.gz SPFXBHMPJQUFES-RAIGVLPGSA-N 1 0 349.391 -1.471 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)nc1=O ZINC001024245931 668630969 /nfs/dbraw/zinc/63/09/69/668630969.db2.gz YCHSLDZZIAWXOR-MNOVXSKESA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)nc1=O ZINC001024245932 668630908 /nfs/dbraw/zinc/63/09/08/668630908.db2.gz YCHSLDZZIAWXOR-QWRGUYRKSA-N 1 0 336.396 -1.285 20 0 EAADRO Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024246210 668630940 /nfs/dbraw/zinc/63/09/40/668630940.db2.gz LIOOMRZSRZWXAT-BPLDGKMQSA-N 1 0 349.435 -1.089 20 0 EAADRO Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024246211 668631002 /nfs/dbraw/zinc/63/10/02/668631002.db2.gz LIOOMRZSRZWXAT-NWANDNLSSA-N 1 0 349.435 -1.089 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001024258008 668631556 /nfs/dbraw/zinc/63/15/56/668631556.db2.gz FISUSFWBEKICDU-LLVKDONJSA-N 1 0 346.395 -1.054 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001024258009 668631605 /nfs/dbraw/zinc/63/16/05/668631605.db2.gz FISUSFWBEKICDU-NSHDSACASA-N 1 0 346.395 -1.054 20 0 EAADRO O=C(Cn1cncn1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024258620 668631512 /nfs/dbraw/zinc/63/15/12/668631512.db2.gz LRFCARQIBORYGV-NEPJUHHUSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024258621 668631499 /nfs/dbraw/zinc/63/14/99/668631499.db2.gz LRFCARQIBORYGV-NWDGAFQWSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024258622 668631589 /nfs/dbraw/zinc/63/15/89/668631589.db2.gz LRFCARQIBORYGV-RYUDHWBXSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024258623 668631425 /nfs/dbraw/zinc/63/14/25/668631425.db2.gz LRFCARQIBORYGV-VXGBXAGGSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)Cn3cncn3)C2)nc1=O ZINC001024258654 668631592 /nfs/dbraw/zinc/63/15/92/668631592.db2.gz MQCBQAUKDOBKPH-LLVKDONJSA-N 1 0 334.384 -1.272 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3cncn3)C2)nc1=O ZINC001024258655 668631475 /nfs/dbraw/zinc/63/14/75/668631475.db2.gz MQCBQAUKDOBKPH-NSHDSACASA-N 1 0 334.384 -1.272 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024260031 668632095 /nfs/dbraw/zinc/63/20/95/668632095.db2.gz BWIMBWSRPHPTEC-GHMZBOCLSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024260032 668631946 /nfs/dbraw/zinc/63/19/46/668631946.db2.gz BWIMBWSRPHPTEC-MNOVXSKESA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024260033 668632055 /nfs/dbraw/zinc/63/20/55/668632055.db2.gz BWIMBWSRPHPTEC-QWRGUYRKSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024260034 668632005 /nfs/dbraw/zinc/63/20/05/668632005.db2.gz BWIMBWSRPHPTEC-WDEREUQCSA-N 1 0 346.391 -1.094 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001024260214 668631930 /nfs/dbraw/zinc/63/19/30/668631930.db2.gz DOYRHQJSEMKKLX-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001024260215 668631982 /nfs/dbraw/zinc/63/19/82/668631982.db2.gz DOYRHQJSEMKKLX-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024260242 668632104 /nfs/dbraw/zinc/63/21/04/668632104.db2.gz FJAOGQPSGMBZBT-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024260243 668631898 /nfs/dbraw/zinc/63/18/98/668631898.db2.gz FJAOGQPSGMBZBT-NWDGAFQWSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024260245 668632120 /nfs/dbraw/zinc/63/21/20/668632120.db2.gz FJAOGQPSGMBZBT-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024260246 668632066 /nfs/dbraw/zinc/63/20/66/668632066.db2.gz FJAOGQPSGMBZBT-VXGBXAGGSA-N 1 0 336.392 -1.148 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001024260279 668631961 /nfs/dbraw/zinc/63/19/61/668631961.db2.gz FVNRURNVEOGZGM-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001024260280 668632022 /nfs/dbraw/zinc/63/20/22/668632022.db2.gz FVNRURNVEOGZGM-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001024260323 668631974 /nfs/dbraw/zinc/63/19/74/668631974.db2.gz GXTFSMXQAPIYLL-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001024260324 668631970 /nfs/dbraw/zinc/63/19/70/668631970.db2.gz GXTFSMXQAPIYLL-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001024260329 668632431 /nfs/dbraw/zinc/63/24/31/668632431.db2.gz HAMDPAIGKJGOPP-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001024260330 668632477 /nfs/dbraw/zinc/63/24/77/668632477.db2.gz HAMDPAIGKJGOPP-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001024260337 668632605 /nfs/dbraw/zinc/63/26/05/668632605.db2.gz HDVPWDRDIQXDER-LLVKDONJSA-N 1 0 349.395 -1.007 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001024260338 668632389 /nfs/dbraw/zinc/63/23/89/668632389.db2.gz HDVPWDRDIQXDER-NSHDSACASA-N 1 0 349.395 -1.007 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001024260581 668632401 /nfs/dbraw/zinc/63/24/01/668632401.db2.gz NLUCERGSGVZZFU-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001024260582 668632409 /nfs/dbraw/zinc/63/24/09/668632409.db2.gz NLUCERGSGVZZFU-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024260769 668632438 /nfs/dbraw/zinc/63/24/38/668632438.db2.gz RWQZCHNIXHMFNT-GHMZBOCLSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024260770 668632472 /nfs/dbraw/zinc/63/24/72/668632472.db2.gz RWQZCHNIXHMFNT-MNOVXSKESA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024260771 668632386 /nfs/dbraw/zinc/63/23/86/668632386.db2.gz RWQZCHNIXHMFNT-QWRGUYRKSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024260772 668632593 /nfs/dbraw/zinc/63/25/93/668632593.db2.gz RWQZCHNIXHMFNT-WDEREUQCSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001024260872 668632435 /nfs/dbraw/zinc/63/24/35/668632435.db2.gz VBNIDGIUDPGLMQ-JTQLQIEISA-N 1 0 336.352 -1.050 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001024260873 668632421 /nfs/dbraw/zinc/63/24/21/668632421.db2.gz VBNIDGIUDPGLMQ-SNVBAGLBSA-N 1 0 336.352 -1.050 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001024261114 668631056 /nfs/dbraw/zinc/63/10/56/668631056.db2.gz YXYIULAEFHJQMA-LLVKDONJSA-N 1 0 349.395 -1.313 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001024261115 668631123 /nfs/dbraw/zinc/63/11/23/668631123.db2.gz YXYIULAEFHJQMA-NSHDSACASA-N 1 0 349.395 -1.313 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001024263613 668633012 /nfs/dbraw/zinc/63/30/12/668633012.db2.gz HVTADAWMZQKCPK-CMPLNLGQSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001024263614 668632964 /nfs/dbraw/zinc/63/29/64/668632964.db2.gz HVTADAWMZQKCPK-JQWIXIFHSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001024263615 668632949 /nfs/dbraw/zinc/63/29/49/668632949.db2.gz HVTADAWMZQKCPK-PWSUYJOCSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001024263616 668633042 /nfs/dbraw/zinc/63/30/42/668633042.db2.gz HVTADAWMZQKCPK-ZYHUDNBSSA-N 1 0 349.391 -1.184 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001024278268 668633501 /nfs/dbraw/zinc/63/35/01/668633501.db2.gz IOMFYEAYCFJVKM-GHMZBOCLSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001024278269 668633522 /nfs/dbraw/zinc/63/35/22/668633522.db2.gz IOMFYEAYCFJVKM-MNOVXSKESA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001024278270 668633464 /nfs/dbraw/zinc/63/34/64/668633464.db2.gz IOMFYEAYCFJVKM-QWRGUYRKSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001024278271 668633393 /nfs/dbraw/zinc/63/33/93/668633393.db2.gz IOMFYEAYCFJVKM-WDEREUQCSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3cnon3)C2)nn1 ZINC001024278739 668633451 /nfs/dbraw/zinc/63/34/51/668633451.db2.gz SRWJMJILYDLJTH-JTQLQIEISA-N 1 0 348.367 -1.212 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3cnon3)C2)nn1 ZINC001024278740 668633365 /nfs/dbraw/zinc/63/33/65/668633365.db2.gz SRWJMJILYDLJTH-SNVBAGLBSA-N 1 0 348.367 -1.212 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001024280880 668633602 /nfs/dbraw/zinc/63/36/02/668633602.db2.gz JEEDRKLGPQWSGW-LLVKDONJSA-N 1 0 348.411 -1.111 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001024280882 668633468 /nfs/dbraw/zinc/63/34/68/668633468.db2.gz JEEDRKLGPQWSGW-NSHDSACASA-N 1 0 348.411 -1.111 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001024289652 668633343 /nfs/dbraw/zinc/63/33/43/668633343.db2.gz KFMUMXDPXQRBQS-GHMZBOCLSA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001024289653 668633492 /nfs/dbraw/zinc/63/34/92/668633492.db2.gz KFMUMXDPXQRBQS-MNOVXSKESA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001024289654 668633547 /nfs/dbraw/zinc/63/35/47/668633547.db2.gz KFMUMXDPXQRBQS-QWRGUYRKSA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001024289655 668633513 /nfs/dbraw/zinc/63/35/13/668633513.db2.gz KFMUMXDPXQRBQS-WDEREUQCSA-N 1 0 349.395 -1.409 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)[NH+](C)C ZINC001024298438 668635832 /nfs/dbraw/zinc/63/58/32/668635832.db2.gz ATLFDERTRASHRH-GRYCIOLGSA-N 1 0 337.380 -1.176 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)[NH+](C)C ZINC001024298439 668635850 /nfs/dbraw/zinc/63/58/50/668635850.db2.gz ATLFDERTRASHRH-IJLUTSLNSA-N 1 0 337.380 -1.176 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001024298441 668635858 /nfs/dbraw/zinc/63/58/58/668635858.db2.gz 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349.391 -1.175 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001024299112 668633431 /nfs/dbraw/zinc/63/34/31/668633431.db2.gz RTBZQZVLRIQUCL-GRYCIOLGSA-N 1 0 335.364 -1.422 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001024299114 668633476 /nfs/dbraw/zinc/63/34/76/668633476.db2.gz RTBZQZVLRIQUCL-IJLUTSLNSA-N 1 0 335.364 -1.422 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)CCC1 ZINC001024299306 668633404 /nfs/dbraw/zinc/63/34/04/668633404.db2.gz VPDRCJILFYUMLY-VXGBXAGGSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1 ZINC001024300319 668634025 /nfs/dbraw/zinc/63/40/25/668634025.db2.gz PJZMJEOCVYUQMS-CYZMBNFOSA-N 1 0 349.391 -1.175 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1 ZINC001024300320 668633987 /nfs/dbraw/zinc/63/39/87/668633987.db2.gz PJZMJEOCVYUQMS-RAIGVLPGSA-N 1 0 349.391 -1.175 20 0 EAADRO 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ZINC001024632608 668679593 /nfs/dbraw/zinc/67/95/93/668679593.db2.gz AWHVNXJKXTXEEB-NWANDNLSSA-N 1 0 349.435 -1.089 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001024643820 668680357 /nfs/dbraw/zinc/68/03/57/668680357.db2.gz HUBAIVIQUYDONB-SECBINFHSA-N 1 0 331.398 -1.366 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001024643823 668680375 /nfs/dbraw/zinc/68/03/75/668680375.db2.gz HUBAIVIQUYDONB-VIFPVBQESA-N 1 0 331.398 -1.366 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024648179 668680882 /nfs/dbraw/zinc/68/08/82/668680882.db2.gz COQUZASWTAUBIS-VXGBXAGGSA-N 1 0 331.332 -1.489 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)n1 ZINC001024651354 668680704 /nfs/dbraw/zinc/68/07/04/668680704.db2.gz DCJUNQSGFGQXBG-CHWSQXEVSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)n1 ZINC001024653139 668680977 /nfs/dbraw/zinc/68/09/77/668680977.db2.gz AJICOIOQRAHNML-CHWSQXEVSA-N 1 0 348.407 -1.255 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001024653156 668680678 /nfs/dbraw/zinc/68/06/78/668680678.db2.gz AVZTXGLXRZFGIE-JHJVBQTASA-N 1 0 338.412 -1.297 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001024653158 668680989 /nfs/dbraw/zinc/68/09/89/668680989.db2.gz AVZTXGLXRZFGIE-UPJWGTAASA-N 1 0 338.412 -1.297 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)n1 ZINC001024653894 668682745 /nfs/dbraw/zinc/68/27/45/668682745.db2.gz PATIWELTRTUGRA-VXGBXAGGSA-N 1 0 334.380 -1.788 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001024653937 668683099 /nfs/dbraw/zinc/68/30/99/668683099.db2.gz QQXLSFMVJUBQRL-CYZMBNFOSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001024653938 668683209 /nfs/dbraw/zinc/68/32/09/668683209.db2.gz QQXLSFMVJUBQRL-RAIGVLPGSA-N 1 0 336.396 -1.542 20 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C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001024659315 668684070 /nfs/dbraw/zinc/68/40/70/668684070.db2.gz ANVNLBXUCAFFOB-CYZMBNFOSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001024659317 668684039 /nfs/dbraw/zinc/68/40/39/668684039.db2.gz ANVNLBXUCAFFOB-RAIGVLPGSA-N 1 0 336.396 -1.399 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001024659368 668684200 /nfs/dbraw/zinc/68/42/00/668684200.db2.gz BRLVGBUHWJHUCO-JHJVBQTASA-N 1 0 336.396 -1.543 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001024659369 668684159 /nfs/dbraw/zinc/68/41/59/668684159.db2.gz BRLVGBUHWJHUCO-UPJWGTAASA-N 1 0 336.396 -1.543 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)n1 ZINC001024659726 668684592 /nfs/dbraw/zinc/68/45/92/668684592.db2.gz FGZALCRVTONECK-VXGBXAGGSA-N 1 0 336.396 -1.399 20 0 EAADRO 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ZINC001024745757 668692507 /nfs/dbraw/zinc/69/25/07/668692507.db2.gz JMMWHRDKZXPUQN-VXGBXAGGSA-N 1 0 349.395 -2.011 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001024745783 668692268 /nfs/dbraw/zinc/69/22/68/668692268.db2.gz KUFAPZMFWBLRLF-GHMZBOCLSA-N 1 0 334.380 -1.265 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001024745962 668692318 /nfs/dbraw/zinc/69/23/18/668692318.db2.gz SXFQTKASOHEODY-VXGBXAGGSA-N 1 0 348.407 -1.255 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001024746014 668692324 /nfs/dbraw/zinc/69/23/24/668692324.db2.gz VOMLIFBSQGCDHD-CHWSQXEVSA-N 1 0 348.407 -1.255 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024746018 668692513 /nfs/dbraw/zinc/69/25/13/668692513.db2.gz VQUALRXKAKKRIS-DGCLKSJQSA-N 1 0 348.407 -1.255 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001024746067 668692358 /nfs/dbraw/zinc/69/23/58/668692358.db2.gz 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C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2O)C1 ZINC001024773669 668695283 /nfs/dbraw/zinc/69/52/83/668695283.db2.gz CTTGJSUDVNUMSN-IJLUTSLNSA-N 1 0 337.384 -2.297 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2O)C1 ZINC001024773721 668695267 /nfs/dbraw/zinc/69/52/67/668695267.db2.gz CTTGJSUDVNUMSN-QJPTWQEYSA-N 1 0 337.384 -2.297 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2O)C1 ZINC001024773771 668695106 /nfs/dbraw/zinc/69/51/06/668695106.db2.gz DKFSFKROJRHLSD-JHJVBQTASA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2O)C1 ZINC001024773773 668695300 /nfs/dbraw/zinc/69/53/00/668695300.db2.gz DKFSFKROJRHLSD-YNEHKIRRSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)C1 ZINC001024773946 668695139 /nfs/dbraw/zinc/69/51/39/668695139.db2.gz HAGQQSSKNYBPGW-BFHYXJOUSA-N 1 0 335.408 -1.087 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)C1 ZINC001024773947 668695145 /nfs/dbraw/zinc/69/51/45/668695145.db2.gz HAGQQSSKNYBPGW-MGPQQGTHSA-N 1 0 335.408 -1.087 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024773960 668695240 /nfs/dbraw/zinc/69/52/40/668695240.db2.gz HPYRGWMWZJIZSI-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024773961 668695329 /nfs/dbraw/zinc/69/53/29/668695329.db2.gz HPYRGWMWZJIZSI-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001024773976 668695079 /nfs/dbraw/zinc/69/50/79/668695079.db2.gz HVQMTJLWFCTNPI-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001024773977 668695357 /nfs/dbraw/zinc/69/53/57/668695357.db2.gz HVQMTJLWFCTNPI-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2O)C1 ZINC001024774181 668695186 /nfs/dbraw/zinc/69/51/86/668695186.db2.gz INDMFGDBYOTTBI-IJLUTSLNSA-N 1 0 348.407 -1.298 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2O)C1 ZINC001024774182 668695293 /nfs/dbraw/zinc/69/52/93/668695293.db2.gz INDMFGDBYOTTBI-QJPTWQEYSA-N 1 0 348.407 -1.298 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2O)C1 ZINC001024774185 668695262 /nfs/dbraw/zinc/69/52/62/668695262.db2.gz IRHXQQDOMKLCRS-JHJVBQTASA-N 1 0 339.392 -1.096 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2O)C1 ZINC001024774186 668695244 /nfs/dbraw/zinc/69/52/44/668695244.db2.gz IRHXQQDOMKLCRS-YNEHKIRRSA-N 1 0 339.392 -1.096 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001024774201 668695126 /nfs/dbraw/zinc/69/51/26/668695126.db2.gz IXKPZBJNIIUBPC-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO 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Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024775167 668697121 /nfs/dbraw/zinc/69/71/21/668697121.db2.gz WRZWJSFDDFJGHU-CYZMBNFOSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024775170 668696910 /nfs/dbraw/zinc/69/69/10/668696910.db2.gz WRZWJSFDDFJGHU-RAIGVLPGSA-N 1 0 336.396 -1.542 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2O)C1 ZINC001024775210 668697151 /nfs/dbraw/zinc/69/71/51/668697151.db2.gz XEKCRDVXSTWAJR-CYZMBNFOSA-N 1 0 349.391 -1.587 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2O)C1 ZINC001024775212 668696982 /nfs/dbraw/zinc/69/69/82/668696982.db2.gz XEKCRDVXSTWAJR-RAIGVLPGSA-N 1 0 349.391 -1.587 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001024776376 668697168 /nfs/dbraw/zinc/69/71/68/668697168.db2.gz AYFYAWMDVMOHSE-IJLUTSLNSA-N 1 0 336.396 -1.244 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001024776378 668696920 /nfs/dbraw/zinc/69/69/20/668696920.db2.gz AYFYAWMDVMOHSE-QJPTWQEYSA-N 1 0 336.396 -1.244 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)C1 ZINC001024776536 668697014 /nfs/dbraw/zinc/69/70/14/668697014.db2.gz DKPXREWBSKRWCQ-BFHYXJOUSA-N 1 0 335.408 -1.087 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)C1 ZINC001024776537 668696852 /nfs/dbraw/zinc/69/68/52/668696852.db2.gz DKPXREWBSKRWCQ-MGPQQGTHSA-N 1 0 335.408 -1.087 20 0 EAADRO Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024776538 668697054 /nfs/dbraw/zinc/69/70/54/668697054.db2.gz DLXDKOGVALYBRJ-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024776539 668696995 /nfs/dbraw/zinc/69/69/95/668696995.db2.gz DLXDKOGVALYBRJ-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO 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O=C(Cn1ncnn1)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001024964950 668720021 /nfs/dbraw/zinc/72/00/21/668720021.db2.gz RJSIWRBNXQDOGB-MNOVXSKESA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)[C@@]12CC[N@H+](C1)CCC2 ZINC001024965962 668720541 /nfs/dbraw/zinc/72/05/41/668720541.db2.gz AGCLWNLACBNRDN-HFAKWTLXSA-N 1 0 334.380 -1.408 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)n1 ZINC001024967569 668720084 /nfs/dbraw/zinc/72/00/84/668720084.db2.gz WNWLFJIHUVFYOT-GHMZBOCLSA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCNC2=O)n1 ZINC001024967570 668720135 /nfs/dbraw/zinc/72/01/35/668720135.db2.gz WNWLFJIHUVFYOT-MNOVXSKESA-N 1 0 349.395 -1.764 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001024974520 668723378 /nfs/dbraw/zinc/72/33/78/668723378.db2.gz KLRKSYRZNAPIDN-NEPJUHHUSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001024974521 668723323 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347.379 -1.219 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001024986349 668724777 /nfs/dbraw/zinc/72/47/77/668724777.db2.gz MZICJTQLIPSZGG-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001024986351 668724827 /nfs/dbraw/zinc/72/48/27/668724827.db2.gz MZICJTQLIPSZGG-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024986426 668724691 /nfs/dbraw/zinc/72/46/91/668724691.db2.gz XCKLMIWXIQDYPT-GHMZBOCLSA-N 1 0 334.380 -1.490 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001024986544 668724710 /nfs/dbraw/zinc/72/47/10/668724710.db2.gz QKOANAGVHARXFB-PWSUYJOCSA-N 1 0 349.395 -1.116 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1O ZINC001024986844 668724721 /nfs/dbraw/zinc/72/47/21/668724721.db2.gz CFZTWLHAVMTFJR-MVWJERBFSA-N 1 0 336.396 -1.101 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1O ZINC001024986845 668724902 /nfs/dbraw/zinc/72/49/02/668724902.db2.gz CFZTWLHAVMTFJR-YUSALJHKSA-N 1 0 336.396 -1.101 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001024986905 668724817 /nfs/dbraw/zinc/72/48/17/668724817.db2.gz GHNDEMJXUSJSIA-JHJVBQTASA-N 1 0 348.407 -1.244 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001024986906 668725146 /nfs/dbraw/zinc/72/51/46/668725146.db2.gz GHNDEMJXUSJSIA-YNEHKIRRSA-N 1 0 348.407 -1.244 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001024987007 668723853 /nfs/dbraw/zinc/72/38/53/668723853.db2.gz KMZNHSBXGXVHMK-GHMZBOCLSA-N 1 0 336.396 -1.101 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1O ZINC001024987092 668723845 /nfs/dbraw/zinc/72/38/45/668723845.db2.gz MAZHXZIHQBKGBK-NQBHXWOUSA-N 1 0 336.396 -1.245 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1O ZINC001024987094 668723836 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JXPSKDHJITZTAV-IJLUTSLNSA-N 1 0 336.396 -1.101 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1O ZINC001024988899 668725275 /nfs/dbraw/zinc/72/52/75/668725275.db2.gz SCHLIRFTUBVRTA-DDHJBXDOSA-N 1 0 336.396 -1.245 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001024989077 668725106 /nfs/dbraw/zinc/72/51/06/668725106.db2.gz VTLQEMAEIOMXJD-VXGBXAGGSA-N 1 0 336.396 -1.101 20 0 EAADRO CC(C)(C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)[NH+]1CCCC1 ZINC001024998759 668727311 /nfs/dbraw/zinc/72/73/11/668727311.db2.gz CVLOUEVTBMXQTD-GHMZBOCLSA-N 1 0 336.396 -1.019 20 0 EAADRO CC(C)(C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O)[NH+]1CCCC1 ZINC001024999417 668728511 /nfs/dbraw/zinc/72/85/11/668728511.db2.gz RQMBSIJRSXYZSP-GHMZBOCLSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)(C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O)[NH+]1CCCC1 ZINC001025001133 668727748 /nfs/dbraw/zinc/72/77/48/668727748.db2.gz NRZZXLPTWNMXLA-VXGBXAGGSA-N 1 0 336.396 -1.019 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001025004570 668730281 /nfs/dbraw/zinc/73/02/81/668730281.db2.gz FWNQZWAWLKHTGY-JHJVBQTASA-N 1 0 338.408 -1.848 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001025004572 668730300 /nfs/dbraw/zinc/73/03/00/668730300.db2.gz FWNQZWAWLKHTGY-YNEHKIRRSA-N 1 0 338.408 -1.848 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCNC2=O)c1=O ZINC001025004721 668730294 /nfs/dbraw/zinc/73/02/94/668730294.db2.gz APSNHAGKIZHDNM-NEPJUHHUSA-N 1 0 336.396 -1.559 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)c1=O ZINC001025004722 668730310 /nfs/dbraw/zinc/73/03/10/668730310.db2.gz APSNHAGKIZHDNM-VXGBXAGGSA-N 1 0 336.396 -1.559 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[C@@H]1CCNC1=O ZINC001025005080 668730679 /nfs/dbraw/zinc/73/06/79/668730679.db2.gz KRAGLAQLXQJUOI-IJLUTSLNSA-N 1 0 336.392 -2.094 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[C@H]1CCNC1=O 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347.379 -1.024 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CNC(=O)N2)nc1=O ZINC001025061388 668744600 /nfs/dbraw/zinc/74/46/00/668744600.db2.gz XWOAFCZIUAMPKT-NXEZZACHSA-N 1 0 337.384 -1.740 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)N2)nc1=O ZINC001025061389 668744550 /nfs/dbraw/zinc/74/45/50/668744550.db2.gz XWOAFCZIUAMPKT-ZJUUUORDSA-N 1 0 337.384 -1.740 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCCN3C(=O)C(N)=O)C2=O)n1 ZINC001025063324 668744896 /nfs/dbraw/zinc/74/48/96/668744896.db2.gz FAOLCKWLXFHYLY-VXGBXAGGSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H]3CCCCN3C(=O)C(N)=O)C2=O)cn1 ZINC001025063731 668744919 /nfs/dbraw/zinc/74/49/19/668744919.db2.gz IZJZWGDEUPRRBO-DGCLKSJQSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@H]3CCCCN3C(=O)C(N)=O)C2=O)cn1 ZINC001025063734 668745014 /nfs/dbraw/zinc/74/50/14/668745014.db2.gz IZJZWGDEUPRRBO-YPMHNXCESA-N 1 0 348.407 -1.019 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001025064413 668744994 /nfs/dbraw/zinc/74/49/94/668744994.db2.gz STFJXBYDPFDXGJ-LLVKDONJSA-N 1 0 332.364 -1.021 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCCCN2C(=O)C(N)=O)C1 ZINC001025064431 668744879 /nfs/dbraw/zinc/74/48/79/668744879.db2.gz SWKRJJGFCBICCG-NWDGAFQWSA-N 1 0 346.453 -1.276 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H]2CCCCN2C(=O)C(N)=O)C1 ZINC001025064433 668744925 /nfs/dbraw/zinc/74/49/25/668744925.db2.gz SWKRJJGFCBICCG-VXGBXAGGSA-N 1 0 346.453 -1.276 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)nc1=O ZINC001025083788 668748161 /nfs/dbraw/zinc/74/81/61/668748161.db2.gz GFGKJDMBFWQZSK-MXWKQRLJSA-N 1 0 336.396 -1.300 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001025103146 668751217 /nfs/dbraw/zinc/75/12/17/668751217.db2.gz NOCSPXRWEIIFLZ-PWSUYJOCSA-N 1 0 349.395 -1.116 20 0 EAADRO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1)[NH+]1CCCC1 ZINC001025105221 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Cn1nnc(C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)n1 ZINC001025129339 668758834 /nfs/dbraw/zinc/75/88/34/668758834.db2.gz AMCSYSWHJQEXHH-NXEZZACHSA-N 1 0 337.384 -2.004 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001025129354 668758936 /nfs/dbraw/zinc/75/89/36/668758936.db2.gz AYTVWNWGCHNKQY-GMTAPVOTSA-N 1 0 337.384 -2.148 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2O)n1 ZINC001025129355 668758954 /nfs/dbraw/zinc/75/89/54/668758954.db2.gz AYTVWNWGCHNKQY-MXWKQRLJSA-N 1 0 337.384 -2.148 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001025129520 668759337 /nfs/dbraw/zinc/75/93/37/668759337.db2.gz JFXOPVDWXARHDB-FRRDWIJNSA-N 1 0 338.408 -1.609 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001025129536 668759437 /nfs/dbraw/zinc/75/94/37/668759437.db2.gz JWHKUEQHCSAAGN-GMTAPVOTSA-N 1 0 337.384 -2.004 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001025129537 668759221 /nfs/dbraw/zinc/75/92/21/668759221.db2.gz JWHKUEQHCSAAGN-HBNTYKKESA-N 1 0 337.384 -2.004 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)n1 ZINC001025129628 668759344 /nfs/dbraw/zinc/75/93/44/668759344.db2.gz NYMRBHKBWHJEGQ-GHMZBOCLSA-N 1 0 337.384 -2.147 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2O)n1 ZINC001025129711 668759211 /nfs/dbraw/zinc/75/92/11/668759211.db2.gz RQDPJWAAANOWMY-IJLUTSLNSA-N 1 0 349.395 -2.147 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2O)n1 ZINC001025129712 668759250 /nfs/dbraw/zinc/75/92/50/668759250.db2.gz RQDPJWAAANOWMY-QJPTWQEYSA-N 1 0 349.395 -2.147 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1)[NH+](C)C ZINC001025129755 668759295 /nfs/dbraw/zinc/75/92/95/668759295.db2.gz UDLMFBONKJFFIY-MROQNXINSA-N 1 0 340.424 -1.365 20 0 EAADRO 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NC(=O)c1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)c1 ZINC001025318560 668792118 /nfs/dbraw/zinc/79/21/18/668792118.db2.gz XSCPNOQHKHDGPY-CHWSQXEVSA-N 1 0 349.391 -1.489 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001025338690 668797530 /nfs/dbraw/zinc/79/75/30/668797530.db2.gz NLZMRTVYXQFHGR-GHMZBOCLSA-N 1 0 338.364 -1.482 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)C1CC1 ZINC001025341865 668799336 /nfs/dbraw/zinc/79/93/36/668799336.db2.gz ARWVTRLBGBOFEB-BZPMIXESSA-N 1 0 349.391 -1.588 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)C1CC1 ZINC001025341868 668799401 /nfs/dbraw/zinc/79/94/01/668799401.db2.gz ARWVTRLBGBOFEB-YRGRVCCFSA-N 1 0 349.391 -1.588 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001025341993 668799255 /nfs/dbraw/zinc/79/92/55/668799255.db2.gz BRYRCHNAGZBVKF-CYZMBNFOSA-N 1 0 349.391 -1.444 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001025341996 668799386 /nfs/dbraw/zinc/79/93/86/668799386.db2.gz BRYRCHNAGZBVKF-RAIGVLPGSA-N 1 0 349.391 -1.444 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)CC1 ZINC001025342338 668799614 /nfs/dbraw/zinc/79/96/14/668799614.db2.gz FOCNKMCPPKHRCC-CHWSQXEVSA-N 1 0 349.391 -1.587 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)[NH+](C)C ZINC001025342355 668799556 /nfs/dbraw/zinc/79/95/56/668799556.db2.gz GANIZHXAGJPKAG-GRYCIOLGSA-N 1 0 337.380 -1.588 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)[NH+](C)C ZINC001025342357 668799547 /nfs/dbraw/zinc/79/95/47/668799547.db2.gz GANIZHXAGJPKAG-IJLUTSLNSA-N 1 0 337.380 -1.588 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001025342412 668799527 /nfs/dbraw/zinc/79/95/27/668799527.db2.gz HKAZSRKWELRKCG-CYZMBNFOSA-N 1 0 349.391 -1.587 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001025342414 668799629 /nfs/dbraw/zinc/79/96/29/668799629.db2.gz HKAZSRKWELRKCG-RAIGVLPGSA-N 1 0 349.391 -1.587 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)CCC1 ZINC001025342446 668799537 /nfs/dbraw/zinc/79/95/37/668799537.db2.gz ICXZGZMJXSFSRN-VXGBXAGGSA-N 1 0 349.391 -1.444 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001025344052 668800359 /nfs/dbraw/zinc/80/03/59/668800359.db2.gz YLXIOVBKQOKHSP-VXGBXAGGSA-N 1 0 347.375 -1.833 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)C1CCC1 ZINC001025347710 668800183 /nfs/dbraw/zinc/80/01/83/668800183.db2.gz GKBDWOBKZQHXCP-CHWSQXEVSA-N 1 0 349.391 -1.444 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001025347758 668800164 /nfs/dbraw/zinc/80/01/64/668800164.db2.gz HPGPPXLZFYVZIF-CYZMBNFOSA-N 1 0 349.391 -1.587 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001025347760 668800352 /nfs/dbraw/zinc/80/03/52/668800352.db2.gz HPGPPXLZFYVZIF-RAIGVLPGSA-N 1 0 349.391 -1.587 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001025348214 668800559 /nfs/dbraw/zinc/80/05/59/668800559.db2.gz RZPRWCPZYDBYHY-MVWJERBFSA-N 1 0 335.364 -1.977 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001025348215 668800439 /nfs/dbraw/zinc/80/04/39/668800439.db2.gz RZPRWCPZYDBYHY-YUSALJHKSA-N 1 0 335.364 -1.977 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001025348508 668800485 /nfs/dbraw/zinc/80/04/85/668800485.db2.gz XUPPDDULYHZVCD-VXGBXAGGSA-N 1 0 335.364 -1.833 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001025348591 668800616 /nfs/dbraw/zinc/80/06/16/668800616.db2.gz YTLXWFXJWYPOLY-FRRDWIJNSA-N 1 0 349.391 -1.444 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001025348592 668800604 /nfs/dbraw/zinc/80/06/04/668800604.db2.gz YTLXWFXJWYPOLY-JHJVBQTASA-N 1 0 349.391 -1.444 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)CC[N@@H+]1C ZINC001025348878 668800519 /nfs/dbraw/zinc/80/05/19/668800519.db2.gz HGRFLNHICJCSPH-FPQZTECRSA-N 1 0 349.391 -1.588 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001025364895 668803246 /nfs/dbraw/zinc/80/32/46/668803246.db2.gz DPOHFRHLFGADPN-IJLUTSLNSA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001025364898 668803295 /nfs/dbraw/zinc/80/32/95/668803295.db2.gz DPOHFRHLFGADPN-QJPTWQEYSA-N 1 0 339.396 -2.303 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001025366325 668803695 /nfs/dbraw/zinc/80/36/95/668803695.db2.gz UAFXWCIMIKIYJU-GMTAPVOTSA-N 1 0 337.380 -2.549 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001025366327 668803790 /nfs/dbraw/zinc/80/37/90/668803790.db2.gz UAFXWCIMIKIYJU-HBNTYKKESA-N 1 0 337.380 -2.549 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)CCC1 ZINC001025366335 668803942 /nfs/dbraw/zinc/80/39/42/668803942.db2.gz UDCZZLQSVRKADW-GMTAPVOTSA-N 1 0 339.396 -2.160 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)CCC1 ZINC001025366339 668803978 /nfs/dbraw/zinc/80/39/78/668803978.db2.gz UDCZZLQSVRKADW-HBNTYKKESA-N 1 0 339.396 -2.160 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001025367770 668804914 /nfs/dbraw/zinc/80/49/14/668804914.db2.gz YHWHTGOYLJNLSY-GMTAPVOTSA-N 1 0 325.369 -2.549 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001025367771 668804858 /nfs/dbraw/zinc/80/48/58/668804858.db2.gz YHWHTGOYLJNLSY-HBNTYKKESA-N 1 0 325.369 -2.549 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001025368107 668803988 /nfs/dbraw/zinc/80/39/88/668803988.db2.gz NOMRCXWUTDMLQX-IJLUTSLNSA-N 1 0 339.396 -2.160 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001025368108 668804070 /nfs/dbraw/zinc/80/40/70/668804070.db2.gz NOMRCXWUTDMLQX-QJPTWQEYSA-N 1 0 339.396 -2.160 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001025378667 668807772 /nfs/dbraw/zinc/80/77/72/668807772.db2.gz AGAUQVNTJDAFAI-CHWSQXEVSA-N 1 0 334.376 -1.465 20 0 EAADRO C[NH+](C)[C@@](C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 ZINC001025379344 668807917 /nfs/dbraw/zinc/80/79/17/668807917.db2.gz MTWAHHUYYJSXMO-PBFPGSCMSA-N 1 0 348.403 -1.363 20 0 EAADRO C[NH+](C)[C@](C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 ZINC001025379345 668808025 /nfs/dbraw/zinc/80/80/25/668808025.db2.gz MTWAHHUYYJSXMO-XNJGSVPQSA-N 1 0 348.403 -1.363 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1O ZINC001025381046 668808518 /nfs/dbraw/zinc/80/85/18/668808518.db2.gz AZEYRPXRXIZYAY-VXGBXAGGSA-N 1 0 344.331 -1.946 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)CC1 ZINC001025381302 668808901 /nfs/dbraw/zinc/80/89/01/668808901.db2.gz IYTRPQZNHHZFNU-GHMZBOCLSA-N 1 0 328.369 -2.730 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1O ZINC001025381389 668808963 /nfs/dbraw/zinc/80/89/63/668808963.db2.gz KMPHUPDDHSBLAR-PXYQLOIISA-N 1 0 338.364 -2.977 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1O ZINC001025381391 668808932 /nfs/dbraw/zinc/80/89/32/668808932.db2.gz KMPHUPDDHSBLAR-WBYXNYCFSA-N 1 0 338.364 -2.977 20 0 EAADRO C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025381412 668808749 /nfs/dbraw/zinc/80/87/49/668808749.db2.gz BLDZMUDHDSXHNU-NXEZZACHSA-N 1 0 340.405 -1.404 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)CC1 ZINC001025381469 668809140 /nfs/dbraw/zinc/80/91/40/668809140.db2.gz CMZSPHUGOLWMLZ-VXGBXAGGSA-N 1 0 326.397 -1.720 20 0 EAADRO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001025382171 668810454 /nfs/dbraw/zinc/81/04/54/668810454.db2.gz GHTRXGCLCZSFFJ-GHMZBOCLSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025382222 668810748 /nfs/dbraw/zinc/81/07/48/668810748.db2.gz HCAZPURZKXKGCG-IJLUTSLNSA-N 1 0 326.397 -1.863 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025382224 668810718 /nfs/dbraw/zinc/81/07/18/668810718.db2.gz HCAZPURZKXKGCG-QJPTWQEYSA-N 1 0 326.397 -1.863 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1O ZINC001025382277 668810732 /nfs/dbraw/zinc/81/07/32/668810732.db2.gz CIFYFCRWDNGWJL-FRRDWIJNSA-N 1 0 338.408 -1.433 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1O ZINC001025382281 668810744 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ZINC001025683137 668841451 /nfs/dbraw/zinc/84/14/51/668841451.db2.gz INEXPEOTVDMDAX-IJLUTSLNSA-N 1 0 337.384 -2.155 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001025683138 668841495 /nfs/dbraw/zinc/84/14/95/668841495.db2.gz INEXPEOTVDMDAX-QJPTWQEYSA-N 1 0 337.384 -2.155 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O ZINC001025683308 668841487 /nfs/dbraw/zinc/84/14/87/668841487.db2.gz KOWOOTRTAZYLLA-CYZMBNFOSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O ZINC001025683309 668841600 /nfs/dbraw/zinc/84/16/00/668841600.db2.gz KOWOOTRTAZYLLA-RAIGVLPGSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O ZINC001025683444 668841464 /nfs/dbraw/zinc/84/14/64/668841464.db2.gz MXJDLPYWAPKAPT-GMTAPVOTSA-N 1 0 337.384 -2.004 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O ZINC001025683445 668841441 /nfs/dbraw/zinc/84/14/41/668841441.db2.gz MXJDLPYWAPKAPT-HBNTYKKESA-N 1 0 337.384 -2.004 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O ZINC001025683516 668841586 /nfs/dbraw/zinc/84/15/86/668841586.db2.gz REYMDEKFSZJYDS-CYZMBNFOSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O ZINC001025683517 668841347 /nfs/dbraw/zinc/84/13/47/668841347.db2.gz REYMDEKFSZJYDS-RAIGVLPGSA-N 1 0 349.391 -1.032 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001025683625 668841478 /nfs/dbraw/zinc/84/14/78/668841478.db2.gz QHRDBXWJNVVRQC-MVWJERBFSA-N 1 0 336.396 -1.101 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001025683626 668841366 /nfs/dbraw/zinc/84/13/66/668841366.db2.gz QHRDBXWJNVVRQC-YUSALJHKSA-N 1 0 336.396 -1.101 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O ZINC001025683821 668841404 /nfs/dbraw/zinc/84/14/04/668841404.db2.gz SYLKHXUHXZQPJA-IJLUTSLNSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O ZINC001025683822 668841583 /nfs/dbraw/zinc/84/15/83/668841583.db2.gz SYLKHXUHXZQPJA-QJPTWQEYSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O ZINC001025683848 668841636 /nfs/dbraw/zinc/84/16/36/668841636.db2.gz UIKBWKIFFBJGAL-DMDPSCGWSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O ZINC001025683849 668841519 /nfs/dbraw/zinc/84/15/19/668841519.db2.gz UIKBWKIFFBJGAL-NQBHXWOUSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001025683880 668841559 /nfs/dbraw/zinc/84/15/59/668841559.db2.gz XXEXALUYHACAAI-IJLUTSLNSA-N 1 0 337.384 -2.155 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001025683881 668841527 /nfs/dbraw/zinc/84/15/27/668841527.db2.gz XXEXALUYHACAAI-QJPTWQEYSA-N 1 0 337.384 -2.155 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001025683922 668841548 /nfs/dbraw/zinc/84/15/48/668841548.db2.gz URGWDSIUFBWXBX-IJLUTSLNSA-N 1 0 338.408 -1.576 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001025683923 668841589 /nfs/dbraw/zinc/84/15/89/668841589.db2.gz URGWDSIUFBWXBX-QJPTWQEYSA-N 1 0 338.408 -1.576 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O ZINC001025683999 668841490 /nfs/dbraw/zinc/84/14/90/668841490.db2.gz WONHSECFCMGNHW-DMDPSCGWSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O ZINC001025684000 668841568 /nfs/dbraw/zinc/84/15/68/668841568.db2.gz WONHSECFCMGNHW-NQBHXWOUSA-N 1 0 336.396 -1.399 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001025684089 668841387 /nfs/dbraw/zinc/84/13/87/668841387.db2.gz CDJDWSRFNVEXEF-IJLUTSLNSA-N 1 0 340.424 -1.330 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001025684090 668841534 /nfs/dbraw/zinc/84/15/34/668841534.db2.gz CDJDWSRFNVEXEF-QJPTWQEYSA-N 1 0 340.424 -1.330 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O ZINC001025684121 668841542 /nfs/dbraw/zinc/84/15/42/668841542.db2.gz DDALJHKWVUHSMZ-CYZMBNFOSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O ZINC001025684267 668841508 /nfs/dbraw/zinc/84/15/08/668841508.db2.gz DDALJHKWVUHSMZ-RAIGVLPGSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001025684495 668841414 /nfs/dbraw/zinc/84/14/14/668841414.db2.gz KMFLCIJPNJPGNL-JHJVBQTASA-N 1 0 336.396 -1.550 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001025684496 668841501 /nfs/dbraw/zinc/84/15/01/668841501.db2.gz KMFLCIJPNJPGNL-YNEHKIRRSA-N 1 0 336.396 -1.550 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001025684556 668841514 /nfs/dbraw/zinc/84/15/14/668841514.db2.gz LWULMUDZVGJSFG-CYZMBNFOSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001025684557 668841646 /nfs/dbraw/zinc/84/16/46/668841646.db2.gz LWULMUDZVGJSFG-RAIGVLPGSA-N 1 0 349.391 -1.032 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)C1 ZINC001025685090 685095626 /nfs/dbraw/zinc/09/56/26/685095626.db2.gz AAJPDQANLLKWJJ-BFHYXJOUSA-N 1 0 335.408 -1.087 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)C1 ZINC001025685096 685095828 /nfs/dbraw/zinc/09/58/28/685095828.db2.gz AAJPDQANLLKWJJ-MGPQQGTHSA-N 1 0 335.408 -1.087 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2O)C1 ZINC001025685261 685095522 /nfs/dbraw/zinc/09/55/22/685095522.db2.gz FEKSMFMIMSZBNM-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO 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EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001025735089 668847822 /nfs/dbraw/zinc/84/78/22/668847822.db2.gz AQNSONHADNGPBS-WCCFOQQASA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025737748 668848224 /nfs/dbraw/zinc/84/82/24/668848224.db2.gz QHATUHIHKHEWHN-GPMNSPGJSA-N 1 0 335.360 -1.209 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025737749 668848151 /nfs/dbraw/zinc/84/81/51/668848151.db2.gz QHATUHIHKHEWHN-IOQXRXCXSA-N 1 0 335.360 -1.209 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025737750 668848120 /nfs/dbraw/zinc/84/81/20/668848120.db2.gz QHATUHIHKHEWHN-KVYUDQOQSA-N 1 0 335.360 -1.209 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025737751 668848092 /nfs/dbraw/zinc/84/80/92/668848092.db2.gz QHATUHIHKHEWHN-NDXHXBTESA-N 1 0 335.360 -1.209 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1)[NH+](C)C ZINC001025738769 668850619 /nfs/dbraw/zinc/85/06/19/668850619.db2.gz BPTOPLKBOPYQJY-GYSYKLTISA-N 1 0 338.412 -1.379 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1)[NH+](C)C ZINC001025738770 668850425 /nfs/dbraw/zinc/85/04/25/668850425.db2.gz BPTOPLKBOPYQJY-JTNHKYCSSA-N 1 0 338.412 -1.379 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025738837 668850536 /nfs/dbraw/zinc/85/05/36/668850536.db2.gz FSWHQFZGYIFAPJ-GHMZBOCLSA-N 1 0 334.380 -1.869 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)C1 ZINC001025738949 668850503 /nfs/dbraw/zinc/85/05/03/668850503.db2.gz GQFFKIWXEZQGSK-IJLUTSLNSA-N 1 0 336.396 -1.623 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)C1 ZINC001025738950 668850547 /nfs/dbraw/zinc/85/05/47/668850547.db2.gz GQFFKIWXEZQGSK-QJPTWQEYSA-N 1 0 336.396 -1.623 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001025739138 668851012 /nfs/dbraw/zinc/85/10/12/668851012.db2.gz NMFUYQISXKDEKS-GHMZBOCLSA-N 1 0 333.352 -1.989 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001025739235 668850869 /nfs/dbraw/zinc/85/08/69/668850869.db2.gz RLNJVJSIXCKQLG-GHMZBOCLSA-N 1 0 333.352 -1.691 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001025739393 668851292 /nfs/dbraw/zinc/85/12/92/668851292.db2.gz YVKDYPYMTTZXDI-VXGBXAGGSA-N 1 0 348.407 -1.337 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)CCC1 ZINC001025739719 668848731 /nfs/dbraw/zinc/84/87/31/668848731.db2.gz DGZQZEMNZBSZNX-GHMZBOCLSA-N 1 0 336.396 -1.481 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025739903 668848943 /nfs/dbraw/zinc/84/89/43/668848943.db2.gz IBPVCQOWPIHIBC-JHJVBQTASA-N 1 0 348.407 -1.623 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025739905 668848863 /nfs/dbraw/zinc/84/88/63/668848863.db2.gz IBPVCQOWPIHIBC-YNEHKIRRSA-N 1 0 348.407 -1.623 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)CC1 ZINC001025740084 668848919 /nfs/dbraw/zinc/84/89/19/668848919.db2.gz NDKYAVXEQBUDJB-VXGBXAGGSA-N 1 0 336.396 -1.623 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001025740182 668848967 /nfs/dbraw/zinc/84/89/67/668848967.db2.gz RQCZLNLYSXOVHS-IJLUTSLNSA-N 1 0 336.396 -1.481 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001025740183 668848876 /nfs/dbraw/zinc/84/88/76/668848876.db2.gz RQCZLNLYSXOVHS-QJPTWQEYSA-N 1 0 336.396 -1.481 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1)C1CC1 ZINC001025741035 668849232 /nfs/dbraw/zinc/84/92/32/668849232.db2.gz NRAUHZKIEZMBPD-GYSYKLTISA-N 1 0 336.396 -1.625 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1)C1CC1 ZINC001025741036 668849350 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WLMNDVCDPZMJNE-XJBAAKRRSA-N 1 0 336.392 -1.831 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025747860 668852067 /nfs/dbraw/zinc/85/20/67/668852067.db2.gz FFYNONRPAFBFRN-AALSBFMBSA-N 1 0 349.435 -1.379 20 0 EAADRO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025747861 668852030 /nfs/dbraw/zinc/85/20/30/668852030.db2.gz FFYNONRPAFBFRN-ARKGTOAJSA-N 1 0 349.435 -1.379 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025747862 668851894 /nfs/dbraw/zinc/85/18/94/668851894.db2.gz FFYNONRPAFBFRN-LJIZCISZSA-N 1 0 349.435 -1.379 20 0 EAADRO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025747863 668852003 /nfs/dbraw/zinc/85/20/03/668852003.db2.gz FFYNONRPAFBFRN-OWYFMNJBSA-N 1 0 349.435 -1.379 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025760391 668852275 /nfs/dbraw/zinc/85/22/75/668852275.db2.gz DTLALINSWWDHEC-BNDIWNMDSA-N 1 0 335.364 -1.601 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025760392 668852251 /nfs/dbraw/zinc/85/22/51/668852251.db2.gz DTLALINSWWDHEC-IEECTRCBSA-N 1 0 335.364 -1.601 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025760393 668852369 /nfs/dbraw/zinc/85/23/69/668852369.db2.gz DTLALINSWWDHEC-KIJLLGNVSA-N 1 0 335.364 -1.601 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025760394 668852418 /nfs/dbraw/zinc/85/24/18/668852418.db2.gz DTLALINSWWDHEC-LBELIVKGSA-N 1 0 335.364 -1.601 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025764391 668852729 /nfs/dbraw/zinc/85/27/29/668852729.db2.gz RQFHWAAQBSHLDG-HMUNZLOLSA-N 1 0 332.364 -1.080 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025764392 668852619 /nfs/dbraw/zinc/85/26/19/668852619.db2.gz RQFHWAAQBSHLDG-IIEKFROSSA-N 1 0 332.364 -1.080 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025764393 668852576 /nfs/dbraw/zinc/85/25/76/668852576.db2.gz RQFHWAAQBSHLDG-XPORZQOISA-N 1 0 332.364 -1.080 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025764394 668852706 /nfs/dbraw/zinc/85/27/06/668852706.db2.gz RQFHWAAQBSHLDG-ZTVLKNOQSA-N 1 0 332.364 -1.080 20 0 EAADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1ccnnc1 ZINC001025783727 668854253 /nfs/dbraw/zinc/85/42/53/668854253.db2.gz GICGITOEMWRICC-CHWSQXEVSA-N 1 0 331.376 -1.126 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025790379 668853740 /nfs/dbraw/zinc/85/37/40/668853740.db2.gz MVLNSPYRPRYOPU-KVNDYUDDSA-N 1 0 348.403 -1.247 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025790380 668854026 /nfs/dbraw/zinc/85/40/26/668854026.db2.gz MVLNSPYRPRYOPU-QEBKJYJCSA-N 1 0 348.403 -1.247 20 0 EAADRO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001025794347 668854639 /nfs/dbraw/zinc/85/46/39/668854639.db2.gz TZURPXFXGREVTC-MOWSAHLDSA-N 1 0 348.407 -1.009 20 0 EAADRO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001025794348 668854501 /nfs/dbraw/zinc/85/45/01/668854501.db2.gz TZURPXFXGREVTC-SSKLVLDBSA-N 1 0 348.407 -1.009 20 0 EAADRO C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001025794349 668854541 /nfs/dbraw/zinc/85/45/41/668854541.db2.gz TZURPXFXGREVTC-SVPLCASGSA-N 1 0 348.407 -1.009 20 0 EAADRO C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001025794350 668854476 /nfs/dbraw/zinc/85/44/76/668854476.db2.gz TZURPXFXGREVTC-ZXPJVPCYSA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798826 668854721 /nfs/dbraw/zinc/85/47/21/668854721.db2.gz KDTBFMVLEFZGTH-BIGJJFBESA-N 1 0 347.423 -1.380 20 0 EAADRO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798827 668854918 /nfs/dbraw/zinc/85/49/18/668854918.db2.gz KDTBFMVLEFZGTH-DKBOKBLXSA-N 1 0 347.423 -1.380 20 0 EAADRO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798828 668854809 /nfs/dbraw/zinc/85/48/09/668854809.db2.gz KDTBFMVLEFZGTH-RLPMIEJPSA-N 1 0 347.423 -1.380 20 0 EAADRO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798829 668854871 /nfs/dbraw/zinc/85/48/71/668854871.db2.gz KDTBFMVLEFZGTH-VVSAWPALSA-N 1 0 347.423 -1.380 20 0 EAADRO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001025799027 668854753 /nfs/dbraw/zinc/85/47/53/668854753.db2.gz PWRWKWAZGZMIMI-BIGJJFBESA-N 1 0 347.423 -1.380 20 0 EAADRO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001025799028 668855044 /nfs/dbraw/zinc/85/50/44/668855044.db2.gz PWRWKWAZGZMIMI-DKBOKBLXSA-N 1 0 347.423 -1.380 20 0 EAADRO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001025799029 668854731 /nfs/dbraw/zinc/85/47/31/668854731.db2.gz PWRWKWAZGZMIMI-RLPMIEJPSA-N 1 0 347.423 -1.380 20 0 EAADRO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001025799030 668854995 /nfs/dbraw/zinc/85/49/95/668854995.db2.gz PWRWKWAZGZMIMI-VVSAWPALSA-N 1 0 347.423 -1.380 20 0 EAADRO O=C(Cc1c[nH]cn1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025800951 685098635 /nfs/dbraw/zinc/09/86/35/685098635.db2.gz HARZVJCNHCPWQV-CHWSQXEVSA-N 1 0 333.392 -1.264 20 0 EAADRO O=C(Cc1c[nH]cn1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025801140 685098784 /nfs/dbraw/zinc/09/87/84/685098784.db2.gz LFYXOUJJSYNDIU-RBSFLKMASA-N 1 0 347.419 -1.018 20 0 EAADRO O=C(Cc1c[nH]cn1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025801141 685099348 /nfs/dbraw/zinc/09/93/48/685099348.db2.gz LFYXOUJJSYNDIU-RRFJBIMHSA-N 1 0 347.419 -1.018 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001025801587 685099285 /nfs/dbraw/zinc/09/92/85/685099285.db2.gz VJKDFRJSHLHWEI-IACUBPJLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001025801588 685098652 /nfs/dbraw/zinc/09/86/52/685098652.db2.gz VJKDFRJSHLHWEI-MRVWCRGKSA-N 1 0 335.408 -1.018 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001025802914 668855415 /nfs/dbraw/zinc/85/54/15/668855415.db2.gz MJJAOKFONCZKSK-FMKGYKFTSA-N 1 0 335.408 -1.020 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)CC1 ZINC001025803020 668855254 /nfs/dbraw/zinc/85/52/54/668855254.db2.gz QGFPHFHEOWZUAI-ZIAGYGMSSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001025804633 685096808 /nfs/dbraw/zinc/09/68/08/685096808.db2.gz MZXBSNSTTWLPLV-NFAWXSAZSA-N 1 0 335.408 -1.020 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001025804634 685097685 /nfs/dbraw/zinc/09/76/85/685097685.db2.gz MZXBSNSTTWLPLV-UMVBOHGHSA-N 1 0 335.408 -1.020 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808268 668855778 /nfs/dbraw/zinc/85/57/78/668855778.db2.gz JDUURJBZEBPFBN-HHHUMZEGSA-N 1 0 348.403 -1.151 20 0 EAADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808269 668855678 /nfs/dbraw/zinc/85/56/78/668855678.db2.gz JDUURJBZEBPFBN-KLFGWDPYSA-N 1 0 348.403 -1.151 20 0 EAADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808270 668855741 /nfs/dbraw/zinc/85/57/41/668855741.db2.gz JDUURJBZEBPFBN-OVKLUEDNSA-N 1 0 348.403 -1.151 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808271 668855630 /nfs/dbraw/zinc/85/56/30/668855630.db2.gz JDUURJBZEBPFBN-QKZHPOIUSA-N 1 0 348.403 -1.151 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808290 668855785 /nfs/dbraw/zinc/85/57/85/668855785.db2.gz KTYXSLJYKVKESI-GRZGAGJTSA-N 1 0 334.376 -1.684 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808291 668855923 /nfs/dbraw/zinc/85/59/23/668855923.db2.gz KTYXSLJYKVKESI-PDNLZKNQSA-N 1 0 334.376 -1.684 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808292 668855634 /nfs/dbraw/zinc/85/56/34/668855634.db2.gz KTYXSLJYKVKESI-QEGBUVANSA-N 1 0 334.376 -1.684 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808293 668855848 /nfs/dbraw/zinc/85/58/48/668855848.db2.gz KTYXSLJYKVKESI-WCCFOQQASA-N 1 0 334.376 -1.684 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808302 668855680 /nfs/dbraw/zinc/85/56/80/668855680.db2.gz LRHLEPRLPIUHJC-GRZGAGJTSA-N 1 0 334.376 -1.541 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808303 668855700 /nfs/dbraw/zinc/85/57/00/668855700.db2.gz LRHLEPRLPIUHJC-PDNLZKNQSA-N 1 0 334.376 -1.541 20 0 EAADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808304 668855908 /nfs/dbraw/zinc/85/59/08/668855908.db2.gz LRHLEPRLPIUHJC-QEGBUVANSA-N 1 0 334.376 -1.541 20 0 EAADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808305 668855898 /nfs/dbraw/zinc/85/58/98/668855898.db2.gz LRHLEPRLPIUHJC-WCCFOQQASA-N 1 0 334.376 -1.541 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1=O ZINC001025808332 668855686 /nfs/dbraw/zinc/85/56/86/668855686.db2.gz MIUGPELROZPPQA-AQRJEWBLSA-N 1 0 347.419 -1.231 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1=O ZINC001025808333 668855725 /nfs/dbraw/zinc/85/57/25/668855725.db2.gz MIUGPELROZPPQA-FAHYXWLWSA-N 1 0 347.419 -1.231 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1=O ZINC001025808334 668855663 /nfs/dbraw/zinc/85/56/63/668855663.db2.gz MIUGPELROZPPQA-GRYWWWGRSA-N 1 0 347.419 -1.231 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1=O ZINC001025808335 668855881 /nfs/dbraw/zinc/85/58/81/668855881.db2.gz MIUGPELROZPPQA-OJKRMQCYSA-N 1 0 347.419 -1.231 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808439 668855873 /nfs/dbraw/zinc/85/58/73/668855873.db2.gz RCRJBMFEJBQBPO-HHHUMZEGSA-N 1 0 348.403 -1.199 20 0 EAADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808440 668855807 /nfs/dbraw/zinc/85/58/07/668855807.db2.gz RCRJBMFEJBQBPO-KLFGWDPYSA-N 1 0 348.403 -1.199 20 0 EAADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808441 668855916 /nfs/dbraw/zinc/85/59/16/668855916.db2.gz RCRJBMFEJBQBPO-OVKLUEDNSA-N 1 0 348.403 -1.199 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808442 668855770 /nfs/dbraw/zinc/85/57/70/668855770.db2.gz RCRJBMFEJBQBPO-QKZHPOIUSA-N 1 0 348.403 -1.199 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808517 668855821 /nfs/dbraw/zinc/85/58/21/668855821.db2.gz XMSHRCQFKSSYKV-MOUCOTEISA-N 1 0 336.392 -1.295 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808518 668855727 /nfs/dbraw/zinc/85/57/27/668855727.db2.gz XMSHRCQFKSSYKV-TUYISWAISA-N 1 0 336.392 -1.295 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001025808519 668855828 /nfs/dbraw/zinc/85/58/28/668855828.db2.gz XMSHRCQFKSSYKV-YBRCUDMCSA-N 1 0 336.392 -1.295 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001025808520 668855712 /nfs/dbraw/zinc/85/57/12/668855712.db2.gz XMSHRCQFKSSYKV-ZRDGONRFSA-N 1 0 336.392 -1.295 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808529 668855735 /nfs/dbraw/zinc/85/57/35/668855735.db2.gz ZEDHBFOWPDMYHB-GRZGAGJTSA-N 1 0 336.392 -1.166 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808530 668855658 /nfs/dbraw/zinc/85/56/58/668855658.db2.gz ZEDHBFOWPDMYHB-PDNLZKNQSA-N 1 0 336.392 -1.166 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001025808531 668855651 /nfs/dbraw/zinc/85/56/51/668855651.db2.gz ZEDHBFOWPDMYHB-QEGBUVANSA-N 1 0 336.392 -1.166 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001025808532 668855889 /nfs/dbraw/zinc/85/58/89/668855889.db2.gz ZEDHBFOWPDMYHB-WCCFOQQASA-N 1 0 336.392 -1.166 20 0 EAADRO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808573 668855645 /nfs/dbraw/zinc/85/56/45/668855645.db2.gz DHXBUKVYWKPLLL-HHHUMZEGSA-N 1 0 348.403 -1.294 20 0 EAADRO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808574 668855757 /nfs/dbraw/zinc/85/57/57/668855757.db2.gz DHXBUKVYWKPLLL-KLFGWDPYSA-N 1 0 348.403 -1.294 20 0 EAADRO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808575 668855855 /nfs/dbraw/zinc/85/58/55/668855855.db2.gz DHXBUKVYWKPLLL-OVKLUEDNSA-N 1 0 348.403 -1.294 20 0 EAADRO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1=O ZINC001025808576 668855764 /nfs/dbraw/zinc/85/57/64/668855764.db2.gz DHXBUKVYWKPLLL-QKZHPOIUSA-N 1 0 348.403 -1.294 20 0 EAADRO COCCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)CC1=O ZINC001025808785 668855837 /nfs/dbraw/zinc/85/58/37/668855837.db2.gz SFAFYWVWQODAJH-GGAZOKNXSA-N 1 0 325.409 -1.092 20 0 EAADRO COCCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)CC1=O ZINC001025808786 668855746 /nfs/dbraw/zinc/85/57/46/668855746.db2.gz SFAFYWVWQODAJH-JYKNGBAOSA-N 1 0 325.409 -1.092 20 0 EAADRO COCCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)CC1=O ZINC001025808787 668855623 /nfs/dbraw/zinc/85/56/23/668855623.db2.gz SFAFYWVWQODAJH-NTASLKFISA-N 1 0 325.409 -1.092 20 0 EAADRO COCCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)CC1=O ZINC001025808788 668855697 /nfs/dbraw/zinc/85/56/97/668855697.db2.gz SFAFYWVWQODAJH-XOBFJNJYSA-N 1 0 325.409 -1.092 20 0 EAADRO O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025811918 668855722 /nfs/dbraw/zinc/85/57/22/668855722.db2.gz MOYBJJFWNHKOFC-DKQGBHPVSA-N 1 0 348.403 -1.246 20 0 EAADRO O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025811919 668855936 /nfs/dbraw/zinc/85/59/36/668855936.db2.gz MOYBJJFWNHKOFC-GBNBPPIOSA-N 1 0 348.403 -1.246 20 0 EAADRO O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025811920 668855705 /nfs/dbraw/zinc/85/57/05/668855705.db2.gz MOYBJJFWNHKOFC-GTXQXIFRSA-N 1 0 348.403 -1.246 20 0 EAADRO O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025811921 668855812 /nfs/dbraw/zinc/85/58/12/668855812.db2.gz MOYBJJFWNHKOFC-ZOUHWKOYSA-N 1 0 348.403 -1.246 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025812123 668855674 /nfs/dbraw/zinc/85/56/74/668855674.db2.gz LTLFTQIUNRTDMR-GRZGAGJTSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025812124 668855799 /nfs/dbraw/zinc/85/57/99/668855799.db2.gz LTLFTQIUNRTDMR-PDNLZKNQSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025812125 668855668 /nfs/dbraw/zinc/85/56/68/668855668.db2.gz LTLFTQIUNRTDMR-QEGBUVANSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025812126 668855792 /nfs/dbraw/zinc/85/57/92/668855792.db2.gz LTLFTQIUNRTDMR-WCCFOQQASA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025812609 668856267 /nfs/dbraw/zinc/85/62/67/668856267.db2.gz FOSFTVPQRQYRID-AQRJEWBLSA-N 1 0 347.419 -1.183 20 0 EAADRO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025812610 668856168 /nfs/dbraw/zinc/85/61/68/668856168.db2.gz FOSFTVPQRQYRID-FAHYXWLWSA-N 1 0 347.419 -1.183 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025812611 668856057 /nfs/dbraw/zinc/85/60/57/668856057.db2.gz FOSFTVPQRQYRID-GRYWWWGRSA-N 1 0 347.419 -1.183 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025812612 668856299 /nfs/dbraw/zinc/85/62/99/668856299.db2.gz FOSFTVPQRQYRID-OJKRMQCYSA-N 1 0 347.419 -1.183 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001025813933 668856193 /nfs/dbraw/zinc/85/61/93/668856193.db2.gz FJRREUFJQSWRDZ-KUNJHIDRSA-N 1 0 335.364 -2.138 20 0 EAADRO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001025813934 668856228 /nfs/dbraw/zinc/85/62/28/668856228.db2.gz FJRREUFJQSWRDZ-YXZBHFDYSA-N 1 0 335.364 -2.138 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025813937 668856061 /nfs/dbraw/zinc/85/60/61/668856061.db2.gz FSYNWLHHSNJDOF-GOVZDWNOSA-N 1 0 337.380 -1.892 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025813938 668856310 /nfs/dbraw/zinc/85/63/10/668856310.db2.gz FSYNWLHHSNJDOF-RWHSBRQSSA-N 1 0 337.380 -1.892 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025814159 668856259 /nfs/dbraw/zinc/85/62/59/668856259.db2.gz SPOXDDFRFVVVAJ-KUNJHIDRSA-N 1 0 335.364 -2.091 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025814160 668856121 /nfs/dbraw/zinc/85/61/21/668856121.db2.gz SPOXDDFRFVVVAJ-YXZBHFDYSA-N 1 0 335.364 -2.091 20 0 EAADRO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001025814161 668856102 /nfs/dbraw/zinc/85/61/02/668856102.db2.gz SRXKYBSRLBOAEF-VGDATSSVSA-N 1 0 349.391 -1.748 20 0 EAADRO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001025814162 668856105 /nfs/dbraw/zinc/85/61/05/668856105.db2.gz SRXKYBSRLBOAEF-VLLVSFFDSA-N 1 0 349.391 -1.748 20 0 EAADRO CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001025814178 668856094 /nfs/dbraw/zinc/85/60/94/668856094.db2.gz VLGZVFVBNUPMDI-VGDATSSVSA-N 1 0 349.391 -1.748 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001025814179 668856153 /nfs/dbraw/zinc/85/61/53/668856153.db2.gz VLGZVFVBNUPMDI-VLLVSFFDSA-N 1 0 349.391 -1.748 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814180 668856127 /nfs/dbraw/zinc/85/61/27/668856127.db2.gz WEIBGQPRBNGRJL-QXDXILDGSA-N 1 0 349.347 -2.564 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814181 668856305 /nfs/dbraw/zinc/85/63/05/668856305.db2.gz WEIBGQPRBNGRJL-YVMHYEQRSA-N 1 0 349.347 -2.564 20 0 EAADRO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814190 668856610 /nfs/dbraw/zinc/85/66/10/668856610.db2.gz XIUOAESAYJDSJA-IUBQSNSRSA-N 1 0 349.391 -1.702 20 0 EAADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814191 668856583 /nfs/dbraw/zinc/85/65/83/668856583.db2.gz XIUOAESAYJDSJA-YUGVXFKWSA-N 1 0 349.391 -1.702 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814334 668856572 /nfs/dbraw/zinc/85/65/72/668856572.db2.gz SQBQOPCFNUFWOD-RUVDQYEXSA-N 1 0 337.376 -1.358 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814335 668856578 /nfs/dbraw/zinc/85/65/78/668856578.db2.gz SQBQOPCFNUFWOD-UJSNTIJXSA-N 1 0 337.376 -1.358 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815275 668856366 /nfs/dbraw/zinc/85/63/66/668856366.db2.gz WGMZTEVFNMQSKW-HMUNZLOLSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815276 668856159 /nfs/dbraw/zinc/85/61/59/668856159.db2.gz WGMZTEVFNMQSKW-IIEKFROSSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815277 668856347 /nfs/dbraw/zinc/85/63/47/668856347.db2.gz WGMZTEVFNMQSKW-XPORZQOISA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815278 668856352 /nfs/dbraw/zinc/85/63/52/668856352.db2.gz WGMZTEVFNMQSKW-ZTVLKNOQSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815443 668856130 /nfs/dbraw/zinc/85/61/30/668856130.db2.gz PJOQRBIPUYDRQJ-BTFPBAQTSA-N 1 0 347.419 -1.183 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815444 668856232 /nfs/dbraw/zinc/85/62/32/668856232.db2.gz PJOQRBIPUYDRQJ-SEBNEYGDSA-N 1 0 347.419 -1.183 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815445 668856238 /nfs/dbraw/zinc/85/62/38/668856238.db2.gz PJOQRBIPUYDRQJ-XPABHHOTSA-N 1 0 347.419 -1.183 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815446 668856098 /nfs/dbraw/zinc/85/60/98/668856098.db2.gz PJOQRBIPUYDRQJ-ZSAUSMIDSA-N 1 0 347.419 -1.183 20 0 EAADRO CN1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1=O ZINC001025815672 668856220 /nfs/dbraw/zinc/85/62/20/668856220.db2.gz APADIXFKZGTMBK-HHHUMZEGSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1=O ZINC001025815673 668856290 /nfs/dbraw/zinc/85/62/90/668856290.db2.gz APADIXFKZGTMBK-KLFGWDPYSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1=O ZINC001025815674 668856089 /nfs/dbraw/zinc/85/60/89/668856089.db2.gz APADIXFKZGTMBK-OVKLUEDNSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1=O ZINC001025815675 668856143 /nfs/dbraw/zinc/85/61/43/668856143.db2.gz APADIXFKZGTMBK-QKZHPOIUSA-N 1 0 348.403 -1.294 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025815828 668856332 /nfs/dbraw/zinc/85/63/32/668856332.db2.gz IILBCTWFIVYYJH-SSZWKKLZSA-N 1 0 347.419 -1.041 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025815829 668856212 /nfs/dbraw/zinc/85/62/12/668856212.db2.gz IILBCTWFIVYYJH-ZHMBSYLPSA-N 1 0 347.419 -1.041 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025816410 668856248 /nfs/dbraw/zinc/85/62/48/668856248.db2.gz QAIXGFNPQNTQDE-TUYISWAISA-N 1 0 334.376 -1.493 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025816411 668856079 /nfs/dbraw/zinc/85/60/79/668856079.db2.gz QAIXGFNPQNTQDE-UKRLYRRISA-N 1 0 334.376 -1.493 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818256 668856273 /nfs/dbraw/zinc/85/62/73/668856273.db2.gz IYSZVNKDCHPZJV-KYFQHEKYSA-N 1 0 336.436 -1.017 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818257 668856070 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20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCc2nncn2C1 ZINC001026149185 668074973 /nfs/dbraw/zinc/07/49/73/668074973.db2.gz UODLSUJBCPFROC-JLDUMIBSSA-N 1 0 330.392 -1.225 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCc2nncn2C1 ZINC001026149186 668074654 /nfs/dbraw/zinc/07/46/54/668074654.db2.gz UODLSUJBCPFROC-YCGPCKTQSA-N 1 0 330.392 -1.225 20 0 EAADRO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001026149324 668074402 /nfs/dbraw/zinc/07/44/02/668074402.db2.gz MHGDUCXUUCEIBD-CYRTVHNOSA-N 1 0 348.407 -1.009 20 0 EAADRO C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001026149325 668074947 /nfs/dbraw/zinc/07/49/47/668074947.db2.gz MHGDUCXUUCEIBD-QHUBEEEXSA-N 1 0 348.407 -1.009 20 0 EAADRO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001026149326 668074881 /nfs/dbraw/zinc/07/48/81/668074881.db2.gz MHGDUCXUUCEIBD-TVEHIPJCSA-N 1 0 348.407 -1.009 20 0 EAADRO C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001026149327 668074815 /nfs/dbraw/zinc/07/48/15/668074815.db2.gz MHGDUCXUUCEIBD-VINAVUOLSA-N 1 0 348.407 -1.009 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CCC1=O ZINC001026149633 668074929 /nfs/dbraw/zinc/07/49/29/668074929.db2.gz FJTPVFPPFIERMX-HHHUMZEGSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CCC1=O ZINC001026149634 668074956 /nfs/dbraw/zinc/07/49/56/668074956.db2.gz FJTPVFPPFIERMX-KLFGWDPYSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CCC1=O ZINC001026149635 668074343 /nfs/dbraw/zinc/07/43/43/668074343.db2.gz FJTPVFPPFIERMX-OVKLUEDNSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CCC1=O ZINC001026149636 668074384 /nfs/dbraw/zinc/07/43/84/668074384.db2.gz FJTPVFPPFIERMX-QKZHPOIUSA-N 1 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LPHAWSTUNKJGCQ-FPYNETTCSA-N 1 0 335.408 -1.193 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C(N)=O)C1=O ZINC001026153769 668074825 /nfs/dbraw/zinc/07/48/25/668074825.db2.gz LPHAWSTUNKJGCQ-OBPIAQAESA-N 1 0 335.408 -1.193 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026153779 668074700 /nfs/dbraw/zinc/07/47/00/668074700.db2.gz OZBWTEJVXCSFIV-FHUSYTEZSA-N 1 0 335.408 -1.146 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026153780 668074357 /nfs/dbraw/zinc/07/43/57/668074357.db2.gz OZBWTEJVXCSFIV-FPYNETTCSA-N 1 0 335.408 -1.146 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N1CCOCC1 ZINC001026154628 668074922 /nfs/dbraw/zinc/07/49/22/668074922.db2.gz YESXAOBGVZMUAP-SBJFKYEJSA-N 1 0 336.436 -1.016 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N1CCOCC1 ZINC001026154629 668074483 /nfs/dbraw/zinc/07/44/83/668074483.db2.gz YESXAOBGVZMUAP-VQJWOFKYSA-N 1 0 336.436 -1.016 20 0 EAADRO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001026154668 668074680 /nfs/dbraw/zinc/07/46/80/668074680.db2.gz DCDQGQNXNPPYDX-HHHUMZEGSA-N 1 0 348.403 -1.294 20 0 EAADRO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001026154669 668074951 /nfs/dbraw/zinc/07/49/51/668074951.db2.gz DCDQGQNXNPPYDX-KLFGWDPYSA-N 1 0 348.403 -1.294 20 0 EAADRO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001026154670 668075531 /nfs/dbraw/zinc/07/55/31/668075531.db2.gz DCDQGQNXNPPYDX-OVKLUEDNSA-N 1 0 348.403 -1.294 20 0 EAADRO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001026154671 668075577 /nfs/dbraw/zinc/07/55/77/668075577.db2.gz DCDQGQNXNPPYDX-QKZHPOIUSA-N 1 0 348.403 -1.294 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026154686 668075435 /nfs/dbraw/zinc/07/54/35/668075435.db2.gz FAPINHCRCNFQGH-CDBAUTBHSA-N 1 0 348.359 -2.109 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026154687 668075302 /nfs/dbraw/zinc/07/53/02/668075302.db2.gz FAPINHCRCNFQGH-FLMQEPBUSA-N 1 0 348.359 -2.109 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026154688 668075286 /nfs/dbraw/zinc/07/52/86/668075286.db2.gz FAPINHCRCNFQGH-JBVBMRLASA-N 1 0 348.359 -2.109 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026154689 668075598 /nfs/dbraw/zinc/07/55/98/668075598.db2.gz FAPINHCRCNFQGH-MXNDPFEXSA-N 1 0 348.359 -2.109 20 0 EAADRO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001026154741 668075318 /nfs/dbraw/zinc/07/53/18/668075318.db2.gz NETYOZMFMAHEPV-GRZGAGJTSA-N 1 0 334.376 -1.684 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001026154742 668075277 /nfs/dbraw/zinc/07/52/77/668075277.db2.gz NETYOZMFMAHEPV-PDNLZKNQSA-N 1 0 334.376 -1.684 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001026154743 668075490 /nfs/dbraw/zinc/07/54/90/668075490.db2.gz NETYOZMFMAHEPV-QEGBUVANSA-N 1 0 334.376 -1.684 20 0 EAADRO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001026154744 668075421 /nfs/dbraw/zinc/07/54/21/668075421.db2.gz NETYOZMFMAHEPV-WCCFOQQASA-N 1 0 334.376 -1.684 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154745 668075230 /nfs/dbraw/zinc/07/52/30/668075230.db2.gz NKCMHQCQXBOJOE-MOUCOTEISA-N 1 0 336.392 -1.438 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154746 668075202 /nfs/dbraw/zinc/07/52/02/668075202.db2.gz NKCMHQCQXBOJOE-TUYISWAISA-N 1 0 336.392 -1.438 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154747 668075215 /nfs/dbraw/zinc/07/52/15/668075215.db2.gz NKCMHQCQXBOJOE-YBRCUDMCSA-N 1 0 336.392 -1.438 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154748 668075559 /nfs/dbraw/zinc/07/55/59/668075559.db2.gz NKCMHQCQXBOJOE-ZRDGONRFSA-N 1 0 336.392 -1.438 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001026154819 668075457 /nfs/dbraw/zinc/07/54/57/668075457.db2.gz UQIQLMRDAUSCRC-HHHUMZEGSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001026154820 668075508 /nfs/dbraw/zinc/07/55/08/668075508.db2.gz UQIQLMRDAUSCRC-KLFGWDPYSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001026154821 668075443 /nfs/dbraw/zinc/07/54/43/668075443.db2.gz UQIQLMRDAUSCRC-OVKLUEDNSA-N 1 0 348.403 -1.294 20 0 EAADRO CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001026154822 668075338 /nfs/dbraw/zinc/07/53/38/668075338.db2.gz UQIQLMRDAUSCRC-QKZHPOIUSA-N 1 0 348.403 -1.294 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026154841 668075475 /nfs/dbraw/zinc/07/54/75/668075475.db2.gz WQELEHWSYOPQGT-GRZGAGJTSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026154842 668075359 /nfs/dbraw/zinc/07/53/59/668075359.db2.gz WQELEHWSYOPQGT-PDNLZKNQSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026154843 668075350 /nfs/dbraw/zinc/07/53/50/668075350.db2.gz WQELEHWSYOPQGT-QEGBUVANSA-N 1 0 334.376 -1.636 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026154844 668075589 /nfs/dbraw/zinc/07/55/89/668075589.db2.gz WQELEHWSYOPQGT-WCCFOQQASA-N 1 0 334.376 -1.636 20 0 EAADRO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026155069 668075635 /nfs/dbraw/zinc/07/56/35/668075635.db2.gz YDHVURFZIKCSOU-AOLZUGRHSA-N 1 0 348.403 -1.247 20 0 EAADRO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026155070 668075565 /nfs/dbraw/zinc/07/55/65/668075565.db2.gz YDHVURFZIKCSOU-HFWJBDJDSA-N 1 0 348.403 -1.247 20 0 EAADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026155071 668075518 /nfs/dbraw/zinc/07/55/18/668075518.db2.gz YDHVURFZIKCSOU-IXCNWUDHSA-N 1 0 348.403 -1.247 20 0 EAADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026155072 668075368 /nfs/dbraw/zinc/07/53/68/668075368.db2.gz YDHVURFZIKCSOU-VQARIJDOSA-N 1 0 348.403 -1.247 20 0 EAADRO COCC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001026161575 668075429 /nfs/dbraw/zinc/07/54/29/668075429.db2.gz PWXZTQCTZVVZBH-AVGNSLFASA-N 1 0 338.408 -1.582 20 0 EAADRO COCC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001026161576 668075469 /nfs/dbraw/zinc/07/54/69/668075469.db2.gz PWXZTQCTZVVZBH-RWMBFGLXSA-N 1 0 338.408 -1.582 20 0 EAADRO COCC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001026161577 668075248 /nfs/dbraw/zinc/07/52/48/668075248.db2.gz PWXZTQCTZVVZBH-XQQFMLRXSA-N 1 0 338.408 -1.582 20 0 EAADRO COCC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001026161578 668075573 /nfs/dbraw/zinc/07/55/73/668075573.db2.gz PWXZTQCTZVVZBH-YNEHKIRRSA-N 1 0 338.408 -1.582 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]12 ZINC001026190600 668077265 /nfs/dbraw/zinc/07/72/65/668077265.db2.gz HQQFMHNNJUBPOD-GRYCIOLGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]12 ZINC001026190601 668077170 /nfs/dbraw/zinc/07/71/70/668077170.db2.gz HQQFMHNNJUBPOD-IJLUTSLNSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001026190602 668077083 /nfs/dbraw/zinc/07/70/83/668077083.db2.gz HQQFMHNNJUBPOD-QJPTWQEYSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001026190603 668077213 /nfs/dbraw/zinc/07/72/13/668077213.db2.gz HQQFMHNNJUBPOD-SDDRHHMPSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]32)nn1 ZINC001026190950 668077299 /nfs/dbraw/zinc/07/72/99/668077299.db2.gz JRUSJSCLTMQBOC-CYZMBNFOSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@H]23)nn1 ZINC001026190951 668077048 /nfs/dbraw/zinc/07/70/48/668077048.db2.gz JRUSJSCLTMQBOC-KGYLQXTDSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]23)nn1 ZINC001026190952 668077106 /nfs/dbraw/zinc/07/71/06/668077106.db2.gz JRUSJSCLTMQBOC-RAIGVLPGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cnnn4)C[C@@H]32)nn1 ZINC001026190953 668077187 /nfs/dbraw/zinc/07/71/87/668077187.db2.gz JRUSJSCLTMQBOC-WCFLWFBJSA-N 1 0 331.384 -1.172 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC001026191662 668077039 /nfs/dbraw/zinc/07/70/39/668077039.db2.gz SOFLVGKEQRUNCE-AVGNSLFASA-N 1 0 331.384 -1.209 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC001026191663 668077253 /nfs/dbraw/zinc/07/72/53/668077253.db2.gz SOFLVGKEQRUNCE-RWMBFGLXSA-N 1 0 331.384 -1.209 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC001026191664 668077228 /nfs/dbraw/zinc/07/72/28/668077228.db2.gz SOFLVGKEQRUNCE-XQQFMLRXSA-N 1 0 331.384 -1.209 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC001026191665 668077119 /nfs/dbraw/zinc/07/71/19/668077119.db2.gz SOFLVGKEQRUNCE-YNEHKIRRSA-N 1 0 331.384 -1.209 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001026191719 668077358 /nfs/dbraw/zinc/07/73/58/668077358.db2.gz UCVCBZHBPAUBEN-CYZMBNFOSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]12 ZINC001026191720 668077102 /nfs/dbraw/zinc/07/71/02/668077102.db2.gz UCVCBZHBPAUBEN-KGYLQXTDSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]12 ZINC001026191721 668077352 /nfs/dbraw/zinc/07/73/52/668077352.db2.gz UCVCBZHBPAUBEN-RAIGVLPGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001026191722 668076962 /nfs/dbraw/zinc/07/69/62/668076962.db2.gz UCVCBZHBPAUBEN-WCFLWFBJSA-N 1 0 331.384 -1.172 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026191751 668077207 /nfs/dbraw/zinc/07/72/07/668077207.db2.gz UOOYBMLXWYMRFB-AVGNSLFASA-N 1 0 348.411 -1.475 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026191752 668077146 /nfs/dbraw/zinc/07/71/46/668077146.db2.gz UOOYBMLXWYMRFB-RWMBFGLXSA-N 1 0 348.411 -1.475 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C1 ZINC001026191753 668077323 /nfs/dbraw/zinc/07/73/23/668077323.db2.gz UOOYBMLXWYMRFB-XQQFMLRXSA-N 1 0 348.411 -1.475 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)[C@@H]2C1 ZINC001026191754 668077341 /nfs/dbraw/zinc/07/73/41/668077341.db2.gz UOOYBMLXWYMRFB-YNEHKIRRSA-N 1 0 348.411 -1.475 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]32)n1 ZINC001026192222 668076491 /nfs/dbraw/zinc/07/64/91/668076491.db2.gz YLYXTQPSQCZTGH-CYZMBNFOSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@H]23)n1 ZINC001026192223 668076353 /nfs/dbraw/zinc/07/63/53/668076353.db2.gz YLYXTQPSQCZTGH-KGYLQXTDSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]23)n1 ZINC001026192224 668076788 /nfs/dbraw/zinc/07/67/88/668076788.db2.gz YLYXTQPSQCZTGH-RAIGVLPGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cnnn4)C[C@@H]32)n1 ZINC001026192225 668076443 /nfs/dbraw/zinc/07/64/43/668076443.db2.gz YLYXTQPSQCZTGH-WCFLWFBJSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cnnn4)C[C@@H]32)nc1=O ZINC001026192850 668076725 /nfs/dbraw/zinc/07/67/25/668076725.db2.gz GZENAWRXSYGFDO-GARJFASQSA-N 1 0 347.383 -1.878 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]23)nc1=O ZINC001026192851 668076651 /nfs/dbraw/zinc/07/66/51/668076651.db2.gz GZENAWRXSYGFDO-GMTAPVOTSA-N 1 0 347.383 -1.878 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]32)nc1=O ZINC001026192852 668076582 /nfs/dbraw/zinc/07/65/82/668076582.db2.gz GZENAWRXSYGFDO-HBNTYKKESA-N 1 0 347.383 -1.878 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@H]23)nc1=O ZINC001026192853 668076685 /nfs/dbraw/zinc/07/66/85/668076685.db2.gz GZENAWRXSYGFDO-OUAUKWLOSA-N 1 0 347.383 -1.878 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001026193363 668077163 /nfs/dbraw/zinc/07/71/63/668077163.db2.gz PBAYBTXRBWIWFN-GARJFASQSA-N 1 0 332.372 -1.777 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]12 ZINC001026193364 668077125 /nfs/dbraw/zinc/07/71/25/668077125.db2.gz PBAYBTXRBWIWFN-GMTAPVOTSA-N 1 0 332.372 -1.777 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001026193365 668077019 /nfs/dbraw/zinc/07/70/19/668077019.db2.gz PBAYBTXRBWIWFN-HBNTYKKESA-N 1 0 332.372 -1.777 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]12 ZINC001026193366 668077347 /nfs/dbraw/zinc/07/73/47/668077347.db2.gz PBAYBTXRBWIWFN-OUAUKWLOSA-N 1 0 332.372 -1.777 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]12)N1CCC1 ZINC001026194075 668077354 /nfs/dbraw/zinc/07/73/54/668077354.db2.gz XSEBKIXTPXBMIQ-FRRDWIJNSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]12)N1CCC1 ZINC001026194076 668077285 /nfs/dbraw/zinc/07/72/85/668077285.db2.gz XSEBKIXTPXBMIQ-JHJVBQTASA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21)N1CCC1 ZINC001026194077 668077850 /nfs/dbraw/zinc/07/78/50/668077850.db2.gz XSEBKIXTPXBMIQ-RWMBFGLXSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21)N1CCC1 ZINC001026194078 668077740 /nfs/dbraw/zinc/07/77/40/668077740.db2.gz XSEBKIXTPXBMIQ-YNEHKIRRSA-N 1 0 333.396 -1.268 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]12 ZINC001026194143 668077542 /nfs/dbraw/zinc/07/75/42/668077542.db2.gz YZYOZSKGPRVLTR-GRYCIOLGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]12 ZINC001026194144 668077671 /nfs/dbraw/zinc/07/76/71/668077671.db2.gz YZYOZSKGPRVLTR-IJLUTSLNSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001026194145 668077778 /nfs/dbraw/zinc/07/77/78/668077778.db2.gz YZYOZSKGPRVLTR-QJPTWQEYSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001026194146 668077803 /nfs/dbraw/zinc/07/78/03/668077803.db2.gz YZYOZSKGPRVLTR-SDDRHHMPSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@@H]21 ZINC001026210917 668078348 /nfs/dbraw/zinc/07/83/48/668078348.db2.gz LLRWXKSDRJKXTK-GARJFASQSA-N 1 0 342.425 -1.419 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@@H]12 ZINC001026210918 668078219 /nfs/dbraw/zinc/07/82/19/668078219.db2.gz LLRWXKSDRJKXTK-GMTAPVOTSA-N 1 0 342.425 -1.419 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]21 ZINC001026210919 668078381 /nfs/dbraw/zinc/07/83/81/668078381.db2.gz LLRWXKSDRJKXTK-HBNTYKKESA-N 1 0 342.425 -1.419 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]12 ZINC001026210920 668078018 /nfs/dbraw/zinc/07/80/18/668078018.db2.gz LLRWXKSDRJKXTK-OUAUKWLOSA-N 1 0 342.425 -1.419 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCOCC3)[C@H]2C1 ZINC001026225124 668081162 /nfs/dbraw/zinc/08/11/62/668081162.db2.gz IJBGVVXRLJOEKI-AVGNSLFASA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)[C@H]2C1 ZINC001026225125 668080912 /nfs/dbraw/zinc/08/09/12/668080912.db2.gz IJBGVVXRLJOEKI-RWMBFGLXSA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001026225126 668081157 /nfs/dbraw/zinc/08/11/57/668081157.db2.gz IJBGVVXRLJOEKI-XQQFMLRXSA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001026225127 668081126 /nfs/dbraw/zinc/08/11/26/668081126.db2.gz IJBGVVXRLJOEKI-YNEHKIRRSA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001026225192 668081131 /nfs/dbraw/zinc/08/11/31/668081131.db2.gz JKTSNNORGIFCHK-QJPTWQEYSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001026225193 668081047 /nfs/dbraw/zinc/08/10/47/668081047.db2.gz JKTSNNORGIFCHK-SDDRHHMPSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001026225194 668081155 /nfs/dbraw/zinc/08/11/55/668081155.db2.gz JKTSNNORGIFCHK-SRVKXCTJSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001026225195 668081100 /nfs/dbraw/zinc/08/11/00/668081100.db2.gz JKTSNNORGIFCHK-TUAOUCFPSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001026225309 668081255 /nfs/dbraw/zinc/08/12/55/668081255.db2.gz KSWGQDNQFYDINY-AXFHLTTASA-N 1 0 337.380 -1.760 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001026225310 668081031 /nfs/dbraw/zinc/08/10/31/668081031.db2.gz KSWGQDNQFYDINY-DCAQKATOSA-N 1 0 337.380 -1.760 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001026225311 668081208 /nfs/dbraw/zinc/08/12/08/668081208.db2.gz KSWGQDNQFYDINY-GARJFASQSA-N 1 0 337.380 -1.760 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001026225312 668081114 /nfs/dbraw/zinc/08/11/14/668081114.db2.gz KSWGQDNQFYDINY-HBNTYKKESA-N 1 0 337.380 -1.760 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001026243105 668082011 /nfs/dbraw/zinc/08/20/11/668082011.db2.gz WCIAYMDTWRUEJJ-BFHYXJOUSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]12 ZINC001026243106 668082160 /nfs/dbraw/zinc/08/21/60/668082160.db2.gz WCIAYMDTWRUEJJ-HZSPNIEDSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001026243107 668082684 /nfs/dbraw/zinc/08/26/84/668082684.db2.gz WCIAYMDTWRUEJJ-MELADBBJSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]12 ZINC001026243108 668082582 /nfs/dbraw/zinc/08/25/82/668082582.db2.gz WCIAYMDTWRUEJJ-MGPQQGTHSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001026244648 668083176 /nfs/dbraw/zinc/08/31/76/668083176.db2.gz QVKJWSBZHKMIQZ-GARJFASQSA-N 1 0 347.383 -1.466 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]12 ZINC001026244649 668083315 /nfs/dbraw/zinc/08/33/15/668083315.db2.gz QVKJWSBZHKMIQZ-GMTAPVOTSA-N 1 0 347.383 -1.466 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001026244650 668083239 /nfs/dbraw/zinc/08/32/39/668083239.db2.gz QVKJWSBZHKMIQZ-HBNTYKKESA-N 1 0 347.383 -1.466 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]12 ZINC001026244651 668083123 /nfs/dbraw/zinc/08/31/23/668083123.db2.gz QVKJWSBZHKMIQZ-OUAUKWLOSA-N 1 0 347.383 -1.466 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)n1 ZINC001026255276 668085640 /nfs/dbraw/zinc/08/56/40/668085640.db2.gz DQLZJOFIGXGUSU-DCAQKATOSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)n1 ZINC001026255277 668085746 /nfs/dbraw/zinc/08/57/46/668085746.db2.gz DQLZJOFIGXGUSU-GARJFASQSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)n1 ZINC001026255278 668085632 /nfs/dbraw/zinc/08/56/32/668085632.db2.gz DQLZJOFIGXGUSU-HBNTYKKESA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CC[C@H]2CN(C(=O)c3cnnn3C)C[C@H]21 ZINC001026256388 668086050 /nfs/dbraw/zinc/08/60/50/668086050.db2.gz MHYJXAQGDPSRPH-AXFHLTTASA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CC[C@H]2CN(C(=O)c3cnnn3C)C[C@@H]21 ZINC001026256389 668086026 /nfs/dbraw/zinc/08/60/26/668086026.db2.gz MHYJXAQGDPSRPH-DCAQKATOSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cnnn3C)C[C@@H]21 ZINC001026256390 668086290 /nfs/dbraw/zinc/08/62/90/668086290.db2.gz MHYJXAQGDPSRPH-GARJFASQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cnnn3C)C[C@H]21 ZINC001026256391 668086196 /nfs/dbraw/zinc/08/61/96/668086196.db2.gz MHYJXAQGDPSRPH-HBNTYKKESA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)n1 ZINC001026256958 668085770 /nfs/dbraw/zinc/08/57/70/668085770.db2.gz VTBQQZSZWSMQEO-AXFHLTTASA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@H]3C2)n1 ZINC001026256959 668085618 /nfs/dbraw/zinc/08/56/18/668085618.db2.gz VTBQQZSZWSMQEO-DCAQKATOSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@H]3C2)n1 ZINC001026256960 668085592 /nfs/dbraw/zinc/08/55/92/668085592.db2.gz VTBQQZSZWSMQEO-GARJFASQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)n1 ZINC001026256961 668085661 /nfs/dbraw/zinc/08/56/61/668085661.db2.gz VTBQQZSZWSMQEO-HBNTYKKESA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H]2C1 ZINC001026256998 668085554 /nfs/dbraw/zinc/08/55/54/668085554.db2.gz WIPJDVUZRPCHCR-AXFHLTTASA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001026256999 668085736 /nfs/dbraw/zinc/08/57/36/668085736.db2.gz WIPJDVUZRPCHCR-DCAQKATOSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001026257000 668086083 /nfs/dbraw/zinc/08/60/83/668086083.db2.gz WIPJDVUZRPCHCR-GARJFASQSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H]2C1 ZINC001026257001 668086214 /nfs/dbraw/zinc/08/62/14/668086214.db2.gz WIPJDVUZRPCHCR-HBNTYKKESA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)nn1 ZINC001026259148 668086183 /nfs/dbraw/zinc/08/61/83/668086183.db2.gz FZIFHQPIFZXSDC-AXFHLTTASA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)nn1 ZINC001026259149 668086313 /nfs/dbraw/zinc/08/63/13/668086313.db2.gz FZIFHQPIFZXSDC-DCAQKATOSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)nn1 ZINC001026259150 668086121 /nfs/dbraw/zinc/08/61/21/668086121.db2.gz FZIFHQPIFZXSDC-GARJFASQSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)nn1 ZINC001026259151 668086076 /nfs/dbraw/zinc/08/60/76/668086076.db2.gz FZIFHQPIFZXSDC-HBNTYKKESA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)nn1 ZINC001026260328 668086237 /nfs/dbraw/zinc/08/62/37/668086237.db2.gz TVQJRGIBKNLEDX-AXFHLTTASA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@H]3C2)nn1 ZINC001026260329 668086010 /nfs/dbraw/zinc/08/60/10/668086010.db2.gz TVQJRGIBKNLEDX-DCAQKATOSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@H]3C2)nn1 ZINC001026260330 668086132 /nfs/dbraw/zinc/08/61/32/668086132.db2.gz TVQJRGIBKNLEDX-GARJFASQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)nn1 ZINC001026260331 668086844 /nfs/dbraw/zinc/08/68/44/668086844.db2.gz TVQJRGIBKNLEDX-HBNTYKKESA-N 1 0 331.384 -1.021 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)nn1 ZINC001026263959 668087769 /nfs/dbraw/zinc/08/77/69/668087769.db2.gz PCUBIJLDQNTELB-QJPTWQEYSA-N 1 0 336.396 -1.150 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)nn1 ZINC001026263960 668087709 /nfs/dbraw/zinc/08/77/09/668087709.db2.gz PCUBIJLDQNTELB-SDDRHHMPSA-N 1 0 336.396 -1.150 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)nn1 ZINC001026263961 668087827 /nfs/dbraw/zinc/08/78/27/668087827.db2.gz PCUBIJLDQNTELB-SRVKXCTJSA-N 1 0 336.396 -1.150 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)nn1 ZINC001026263962 668087760 /nfs/dbraw/zinc/08/77/60/668087760.db2.gz PCUBIJLDQNTELB-TUAOUCFPSA-N 1 0 336.396 -1.150 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4ncnn4)C[C@@H]32)nc1=O ZINC001026266103 668088365 /nfs/dbraw/zinc/08/83/65/668088365.db2.gz CPYLQQZHCPJBLS-GARJFASQSA-N 1 0 347.383 -1.878 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@H]23)nc1=O ZINC001026266104 668088321 /nfs/dbraw/zinc/08/83/21/668088321.db2.gz CPYLQQZHCPJBLS-GMTAPVOTSA-N 1 0 347.383 -1.878 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]32)nc1=O ZINC001026266105 668088454 /nfs/dbraw/zinc/08/84/54/668088454.db2.gz CPYLQQZHCPJBLS-HBNTYKKESA-N 1 0 347.383 -1.878 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4ncnn4)C[C@H]23)nc1=O ZINC001026266106 668088206 /nfs/dbraw/zinc/08/82/06/668088206.db2.gz CPYLQQZHCPJBLS-OUAUKWLOSA-N 1 0 347.383 -1.878 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]12)N1CCC1 ZINC001026266191 668088471 /nfs/dbraw/zinc/08/84/71/668088471.db2.gz DGFSWCGYCUNYDV-FRRDWIJNSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]12)N1CCC1 ZINC001026266195 668088541 /nfs/dbraw/zinc/08/85/41/668088541.db2.gz DGFSWCGYCUNYDV-JHJVBQTASA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21)N1CCC1 ZINC001026266197 668088557 /nfs/dbraw/zinc/08/85/57/668088557.db2.gz DGFSWCGYCUNYDV-RWMBFGLXSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21)N1CCC1 ZINC001026266198 668088200 /nfs/dbraw/zinc/08/82/00/668088200.db2.gz DGFSWCGYCUNYDV-YNEHKIRRSA-N 1 0 333.396 -1.268 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]32)n1 ZINC001026266241 668088443 /nfs/dbraw/zinc/08/84/43/668088443.db2.gz DLOSTZNPUAZRGG-CYZMBNFOSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4ncnn4)C[C@H]23)n1 ZINC001026266242 668088547 /nfs/dbraw/zinc/08/85/47/668088547.db2.gz DLOSTZNPUAZRGG-KGYLQXTDSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@H]23)n1 ZINC001026266243 668088357 /nfs/dbraw/zinc/08/83/57/668088357.db2.gz DLOSTZNPUAZRGG-RAIGVLPGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4ncnn4)C[C@@H]32)n1 ZINC001026266244 668088525 /nfs/dbraw/zinc/08/85/25/668088525.db2.gz DLOSTZNPUAZRGG-WCFLWFBJSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001026266918 668088305 /nfs/dbraw/zinc/08/83/05/668088305.db2.gz JBWGVVCLVWBKPD-GARJFASQSA-N 1 0 332.372 -1.777 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]12 ZINC001026266919 668088264 /nfs/dbraw/zinc/08/82/64/668088264.db2.gz JBWGVVCLVWBKPD-GMTAPVOTSA-N 1 0 332.372 -1.777 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001026266920 668088215 /nfs/dbraw/zinc/08/82/15/668088215.db2.gz JBWGVVCLVWBKPD-HBNTYKKESA-N 1 0 332.372 -1.777 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]12 ZINC001026266921 668088311 /nfs/dbraw/zinc/08/83/11/668088311.db2.gz JBWGVVCLVWBKPD-OUAUKWLOSA-N 1 0 332.372 -1.777 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]12 ZINC001026267352 668089208 /nfs/dbraw/zinc/08/92/08/668089208.db2.gz NBMVXEJJXQHJMY-GRYCIOLGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]12 ZINC001026267353 668088899 /nfs/dbraw/zinc/08/88/99/668088899.db2.gz NBMVXEJJXQHJMY-IJLUTSLNSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001026267354 668088868 /nfs/dbraw/zinc/08/88/68/668088868.db2.gz NBMVXEJJXQHJMY-QJPTWQEYSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001026267355 668089653 /nfs/dbraw/zinc/08/96/53/668089653.db2.gz NBMVXEJJXQHJMY-SDDRHHMPSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001026267810 668089827 /nfs/dbraw/zinc/08/98/27/668089827.db2.gz QNEOQYZGOHNJCU-CYZMBNFOSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]12 ZINC001026267811 668089687 /nfs/dbraw/zinc/08/96/87/668089687.db2.gz QNEOQYZGOHNJCU-KGYLQXTDSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]12 ZINC001026267812 668089617 /nfs/dbraw/zinc/08/96/17/668089617.db2.gz QNEOQYZGOHNJCU-RAIGVLPGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001026267813 668089728 /nfs/dbraw/zinc/08/97/28/668089728.db2.gz QNEOQYZGOHNJCU-WCFLWFBJSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]12 ZINC001026268007 668089469 /nfs/dbraw/zinc/08/94/69/668089469.db2.gz UMMQDPDRBRUKPQ-GRYCIOLGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]12 ZINC001026268008 668089744 /nfs/dbraw/zinc/08/97/44/668089744.db2.gz UMMQDPDRBRUKPQ-IJLUTSLNSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001026268009 668089733 /nfs/dbraw/zinc/08/97/33/668089733.db2.gz UMMQDPDRBRUKPQ-QJPTWQEYSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001026268010 668089442 /nfs/dbraw/zinc/08/94/42/668089442.db2.gz UMMQDPDRBRUKPQ-SDDRHHMPSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]32)nn1 ZINC001026268299 668089693 /nfs/dbraw/zinc/08/96/93/668089693.db2.gz YDVQQSPUNYSEDH-CYZMBNFOSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4ncnn4)C[C@H]23)nn1 ZINC001026268300 668089713 /nfs/dbraw/zinc/08/97/13/668089713.db2.gz YDVQQSPUNYSEDH-KGYLQXTDSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@H]23)nn1 ZINC001026268301 668089856 /nfs/dbraw/zinc/08/98/56/668089856.db2.gz YDVQQSPUNYSEDH-RAIGVLPGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4ncnn4)C[C@@H]32)nn1 ZINC001026268302 668089453 /nfs/dbraw/zinc/08/94/53/668089453.db2.gz YDVQQSPUNYSEDH-WCFLWFBJSA-N 1 0 331.384 -1.172 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026269300 668089809 /nfs/dbraw/zinc/08/98/09/668089809.db2.gz MJMKBWBSTVGSGW-AVGNSLFASA-N 1 0 348.411 -1.475 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026269301 668089505 /nfs/dbraw/zinc/08/95/05/668089505.db2.gz MJMKBWBSTVGSGW-RWMBFGLXSA-N 1 0 348.411 -1.475 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C1 ZINC001026269302 668089847 /nfs/dbraw/zinc/08/98/47/668089847.db2.gz MJMKBWBSTVGSGW-XQQFMLRXSA-N 1 0 348.411 -1.475 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)[C@@H]2C1 ZINC001026269303 668089427 /nfs/dbraw/zinc/08/94/27/668089427.db2.gz MJMKBWBSTVGSGW-YNEHKIRRSA-N 1 0 348.411 -1.475 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC001026269750 668090270 /nfs/dbraw/zinc/09/02/70/668090270.db2.gz SPBIPIDBAKDVQO-AVGNSLFASA-N 1 0 331.384 -1.209 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC001026269751 668090290 /nfs/dbraw/zinc/09/02/90/668090290.db2.gz SPBIPIDBAKDVQO-RWMBFGLXSA-N 1 0 331.384 -1.209 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC001026269752 668090349 /nfs/dbraw/zinc/09/03/49/668090349.db2.gz SPBIPIDBAKDVQO-XQQFMLRXSA-N 1 0 331.384 -1.209 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC001026269753 668090158 /nfs/dbraw/zinc/09/01/58/668090158.db2.gz SPBIPIDBAKDVQO-YNEHKIRRSA-N 1 0 331.384 -1.209 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 ZINC001026269923 668090130 /nfs/dbraw/zinc/09/01/30/668090130.db2.gz VSPMCYUGVAMLEC-IVZWLZJFSA-N 1 0 335.368 -2.311 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]12 ZINC001026269924 668090343 /nfs/dbraw/zinc/09/03/43/668090343.db2.gz VSPMCYUGVAMLEC-KXUCPTDWSA-N 1 0 335.368 -2.311 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]21 ZINC001026269925 668090255 /nfs/dbraw/zinc/09/02/55/668090255.db2.gz VSPMCYUGVAMLEC-LPEHRKFASA-N 1 0 335.368 -2.311 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]12 ZINC001026269926 668090296 /nfs/dbraw/zinc/09/02/96/668090296.db2.gz VSPMCYUGVAMLEC-OPRDCNLKSA-N 1 0 335.368 -2.311 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)c1=O ZINC001026276269 668090989 /nfs/dbraw/zinc/09/09/89/668090989.db2.gz DEHYCJHDCLOQFM-AVGNSLFASA-N 1 0 336.392 -1.634 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)c1=O ZINC001026276270 668090835 /nfs/dbraw/zinc/09/08/35/668090835.db2.gz DEHYCJHDCLOQFM-RWMBFGLXSA-N 1 0 336.392 -1.634 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)c1=O ZINC001026276271 668090882 /nfs/dbraw/zinc/09/08/82/668090882.db2.gz DEHYCJHDCLOQFM-XQQFMLRXSA-N 1 0 336.392 -1.634 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)c1=O ZINC001026276272 668090729 /nfs/dbraw/zinc/09/07/29/668090729.db2.gz DEHYCJHDCLOQFM-YNEHKIRRSA-N 1 0 336.392 -1.634 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c1=O ZINC001026277255 668090820 /nfs/dbraw/zinc/09/08/20/668090820.db2.gz MUDPGELMXLKGNK-QJPTWQEYSA-N 1 0 349.391 -2.141 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)c1=O ZINC001026277258 668090755 /nfs/dbraw/zinc/09/07/55/668090755.db2.gz MUDPGELMXLKGNK-SDDRHHMPSA-N 1 0 349.391 -2.141 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)c1=O ZINC001026277260 668090703 /nfs/dbraw/zinc/09/07/03/668090703.db2.gz MUDPGELMXLKGNK-SRVKXCTJSA-N 1 0 349.391 -2.141 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c1=O ZINC001026277262 668090941 /nfs/dbraw/zinc/09/09/41/668090941.db2.gz MUDPGELMXLKGNK-TUAOUCFPSA-N 1 0 349.391 -2.141 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@H]23)nc1=O ZINC001026278712 668091641 /nfs/dbraw/zinc/09/16/41/668091641.db2.gz MWGLXDMIRGZARG-GRYCIOLGSA-N 1 0 346.395 -1.273 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]23)nc1=O ZINC001026278713 668091551 /nfs/dbraw/zinc/09/15/51/668091551.db2.gz MWGLXDMIRGZARG-IJLUTSLNSA-N 1 0 346.395 -1.273 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4nccn4)C[C@H]32)nc1=O ZINC001026278714 668091590 /nfs/dbraw/zinc/09/15/90/668091590.db2.gz MWGLXDMIRGZARG-QJPTWQEYSA-N 1 0 346.395 -1.273 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4nccn4)C[C@@H]32)nc1=O ZINC001026278715 668091572 /nfs/dbraw/zinc/09/15/72/668091572.db2.gz MWGLXDMIRGZARG-SDDRHHMPSA-N 1 0 346.395 -1.273 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]12 ZINC001026279089 668091594 /nfs/dbraw/zinc/09/15/94/668091594.db2.gz RFVITYASBOBFQE-GRYCIOLGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]12 ZINC001026279090 668092073 /nfs/dbraw/zinc/09/20/73/668092073.db2.gz RFVITYASBOBFQE-IJLUTSLNSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3nccn3)C[C@H]21 ZINC001026279091 668092428 /nfs/dbraw/zinc/09/24/28/668092428.db2.gz RFVITYASBOBFQE-QJPTWQEYSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3nccn3)C[C@@H]21 ZINC001026279092 668092496 /nfs/dbraw/zinc/09/24/96/668092496.db2.gz RFVITYASBOBFQE-SDDRHHMPSA-N 1 0 331.384 -1.172 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026279594 668091620 /nfs/dbraw/zinc/09/16/20/668091620.db2.gz AKOBPRNIPXWPGX-AVGNSLFASA-N 1 0 331.438 -1.159 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026279595 668091507 /nfs/dbraw/zinc/09/15/07/668091507.db2.gz AKOBPRNIPXWPGX-RWMBFGLXSA-N 1 0 331.438 -1.159 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026279596 668091362 /nfs/dbraw/zinc/09/13/62/668091362.db2.gz AKOBPRNIPXWPGX-XQQFMLRXSA-N 1 0 331.438 -1.159 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026279597 668091459 /nfs/dbraw/zinc/09/14/59/668091459.db2.gz AKOBPRNIPXWPGX-YNEHKIRRSA-N 1 0 331.438 -1.159 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]12 ZINC001026280602 668092103 /nfs/dbraw/zinc/09/21/03/668092103.db2.gz QVMHDRPSCGGENJ-GRYCIOLGSA-N 1 0 344.437 -1.666 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@@H]12 ZINC001026280603 668092535 /nfs/dbraw/zinc/09/25/35/668092535.db2.gz QVMHDRPSCGGENJ-IJLUTSLNSA-N 1 0 344.437 -1.666 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]21 ZINC001026280604 668091886 /nfs/dbraw/zinc/09/18/86/668091886.db2.gz QVMHDRPSCGGENJ-QJPTWQEYSA-N 1 0 344.437 -1.666 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC001026280605 668091938 /nfs/dbraw/zinc/09/19/38/668091938.db2.gz QVMHDRPSCGGENJ-SDDRHHMPSA-N 1 0 344.437 -1.666 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]12 ZINC001026298482 668093640 /nfs/dbraw/zinc/09/36/40/668093640.db2.gz QPDRADJXSONYCJ-GRYCIOLGSA-N 1 0 329.422 -1.267 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]12 ZINC001026298483 668093808 /nfs/dbraw/zinc/09/38/08/668093808.db2.gz QPDRADJXSONYCJ-IJLUTSLNSA-N 1 0 329.422 -1.267 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 ZINC001026298484 668093615 /nfs/dbraw/zinc/09/36/15/668093615.db2.gz QPDRADJXSONYCJ-QJPTWQEYSA-N 1 0 329.422 -1.267 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 ZINC001026298485 668093858 /nfs/dbraw/zinc/09/38/58/668093858.db2.gz QPDRADJXSONYCJ-SDDRHHMPSA-N 1 0 329.422 -1.267 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4cnon4)[C@@H]3C2)c1=O ZINC001026298998 668093885 /nfs/dbraw/zinc/09/38/85/668093885.db2.gz SAQMUMNXJSTVED-CYZMBNFOSA-N 1 0 347.379 -1.008 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4cnon4)[C@H]3C2)c1=O ZINC001026298999 668093587 /nfs/dbraw/zinc/09/35/87/668093587.db2.gz SAQMUMNXJSTVED-DRZSPHRISA-N 1 0 347.379 -1.008 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4cnon4)[C@@H]3C2)c1=O ZINC001026299000 668093721 /nfs/dbraw/zinc/09/37/21/668093721.db2.gz SAQMUMNXJSTVED-UHTWSYAYSA-N 1 0 347.379 -1.008 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4cnon4)[C@H]3C2)c1=O ZINC001026299001 668093833 /nfs/dbraw/zinc/09/38/33/668093833.db2.gz SAQMUMNXJSTVED-WCFLWFBJSA-N 1 0 347.379 -1.008 20 0 EAADRO CN1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)CC1=O ZINC001026299074 668093820 /nfs/dbraw/zinc/09/38/20/668093820.db2.gz VPKMASUUCFNQOY-AVGNSLFASA-N 1 0 337.424 -1.928 20 0 EAADRO CN1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CC1=O ZINC001026299075 668093879 /nfs/dbraw/zinc/09/38/79/668093879.db2.gz VPKMASUUCFNQOY-RWMBFGLXSA-N 1 0 337.424 -1.928 20 0 EAADRO CN1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1=O ZINC001026299076 668093657 /nfs/dbraw/zinc/09/36/57/668093657.db2.gz VPKMASUUCFNQOY-XQQFMLRXSA-N 1 0 337.424 -1.928 20 0 EAADRO CN1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1=O ZINC001026299077 668093667 /nfs/dbraw/zinc/09/36/67/668093667.db2.gz VPKMASUUCFNQOY-YNEHKIRRSA-N 1 0 337.424 -1.928 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001026300135 668093605 /nfs/dbraw/zinc/09/36/05/668093605.db2.gz DSWTZCJAJWELER-AXFHLTTASA-N 1 0 347.379 -1.203 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001026300136 668093678 /nfs/dbraw/zinc/09/36/78/668093678.db2.gz DSWTZCJAJWELER-DCAQKATOSA-N 1 0 347.379 -1.203 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001026300137 668093854 /nfs/dbraw/zinc/09/38/54/668093854.db2.gz DSWTZCJAJWELER-GARJFASQSA-N 1 0 347.379 -1.203 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001026300138 668093790 /nfs/dbraw/zinc/09/37/90/668093790.db2.gz DSWTZCJAJWELER-HBNTYKKESA-N 1 0 347.379 -1.203 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)nc1=O ZINC001026303621 668094359 /nfs/dbraw/zinc/09/43/59/668094359.db2.gz WVIKATZPIZXEIT-IVZWLZJFSA-N 1 0 332.368 -1.133 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@H]23)nc1=O ZINC001026303622 668094349 /nfs/dbraw/zinc/09/43/49/668094349.db2.gz WVIKATZPIZXEIT-KXUCPTDWSA-N 1 0 332.368 -1.133 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]32)nc1=O ZINC001026303623 668094320 /nfs/dbraw/zinc/09/43/20/668094320.db2.gz WVIKATZPIZXEIT-LPEHRKFASA-N 1 0 332.368 -1.133 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]23)nc1=O ZINC001026303624 668094388 /nfs/dbraw/zinc/09/43/88/668094388.db2.gz WVIKATZPIZXEIT-OPRDCNLKSA-N 1 0 332.368 -1.133 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]12 ZINC001026306343 668094723 /nfs/dbraw/zinc/09/47/23/668094723.db2.gz KZNDOBPVIQKGKA-GRYCIOLGSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]12 ZINC001026306344 668094759 /nfs/dbraw/zinc/09/47/59/668094759.db2.gz KZNDOBPVIQKGKA-IJLUTSLNSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001026306345 668094665 /nfs/dbraw/zinc/09/46/65/668094665.db2.gz KZNDOBPVIQKGKA-QJPTWQEYSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001026306346 668094653 /nfs/dbraw/zinc/09/46/53/668094653.db2.gz KZNDOBPVIQKGKA-SDDRHHMPSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001026306589 668094825 /nfs/dbraw/zinc/09/48/25/668094825.db2.gz NIAFTFRUYVJYQP-GARJFASQSA-N 1 0 335.364 -1.739 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]12 ZINC001026306590 668094784 /nfs/dbraw/zinc/09/47/84/668094784.db2.gz NIAFTFRUYVJYQP-GMTAPVOTSA-N 1 0 335.364 -1.739 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001026306591 668094728 /nfs/dbraw/zinc/09/47/28/668094728.db2.gz NIAFTFRUYVJYQP-HBNTYKKESA-N 1 0 335.364 -1.739 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]12 ZINC001026306592 668094745 /nfs/dbraw/zinc/09/47/45/668094745.db2.gz NIAFTFRUYVJYQP-OUAUKWLOSA-N 1 0 335.364 -1.739 20 0 EAADRO Cn1cnn(CCC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c1=O ZINC001026315063 668095023 /nfs/dbraw/zinc/09/50/23/668095023.db2.gz KWBBWGDLMXMNGM-QJPTWQEYSA-N 1 0 336.396 -1.716 20 0 EAADRO Cn1cnn(CCC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)c1=O ZINC001026315064 668095142 /nfs/dbraw/zinc/09/51/42/668095142.db2.gz KWBBWGDLMXMNGM-SDDRHHMPSA-N 1 0 336.396 -1.716 20 0 EAADRO Cn1cnn(CCC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)c1=O ZINC001026315065 668095365 /nfs/dbraw/zinc/09/53/65/668095365.db2.gz KWBBWGDLMXMNGM-SRVKXCTJSA-N 1 0 336.396 -1.716 20 0 EAADRO Cn1cnn(CCC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c1=O ZINC001026315066 668095206 /nfs/dbraw/zinc/09/52/06/668095206.db2.gz KWBBWGDLMXMNGM-TUAOUCFPSA-N 1 0 336.396 -1.716 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c1=O ZINC001026326150 668098121 /nfs/dbraw/zinc/09/81/21/668098121.db2.gz ILYBIROMSRMQIL-GDPRMGEGSA-N 1 0 335.364 -1.589 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)c1=O ZINC001026326151 668098127 /nfs/dbraw/zinc/09/81/27/668098127.db2.gz ILYBIROMSRMQIL-INTQDDNPSA-N 1 0 335.364 -1.589 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c1=O ZINC001026326152 668098000 /nfs/dbraw/zinc/09/80/00/668098000.db2.gz ILYBIROMSRMQIL-JMJZKYOTSA-N 1 0 335.364 -1.589 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)c1=O ZINC001026326153 668098198 /nfs/dbraw/zinc/09/81/98/668098198.db2.gz ILYBIROMSRMQIL-LSJOCFKGSA-N 1 0 335.364 -1.589 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnon3)[C@H]2C1 ZINC001026329902 668098782 /nfs/dbraw/zinc/09/87/82/668098782.db2.gz DEUXNVBTEJIPBJ-FPMFFAJLSA-N 1 0 348.407 -1.172 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC001026329906 668098796 /nfs/dbraw/zinc/09/87/96/668098796.db2.gz DEUXNVBTEJIPBJ-IACUBPJLSA-N 1 0 348.407 -1.172 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnon3)[C@H]2C1 ZINC001026329907 668098610 /nfs/dbraw/zinc/09/86/10/668098610.db2.gz DEUXNVBTEJIPBJ-UBHSHLNASA-N 1 0 348.407 -1.172 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC001026329908 668098495 /nfs/dbraw/zinc/09/84/95/668098495.db2.gz DEUXNVBTEJIPBJ-YUTCNCBUSA-N 1 0 348.407 -1.172 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(=O)N4CCC4)[C@@H]3C2)n1 ZINC001026332188 668099644 /nfs/dbraw/zinc/09/96/44/668099644.db2.gz JRCHDUOJOUWLEX-QJPTWQEYSA-N 1 0 333.396 -1.117 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(=O)N4CCC4)[C@H]3C2)n1 ZINC001026332189 668099460 /nfs/dbraw/zinc/09/94/60/668099460.db2.gz JRCHDUOJOUWLEX-SDDRHHMPSA-N 1 0 333.396 -1.117 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(=O)N4CCC4)[C@H]3C2)n1 ZINC001026332190 668099555 /nfs/dbraw/zinc/09/95/55/668099555.db2.gz JRCHDUOJOUWLEX-SRVKXCTJSA-N 1 0 333.396 -1.117 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(=O)N4CCC4)[C@@H]3C2)n1 ZINC001026332191 668099436 /nfs/dbraw/zinc/09/94/36/668099436.db2.gz JRCHDUOJOUWLEX-TUAOUCFPSA-N 1 0 333.396 -1.117 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)n1 ZINC001026332357 668099448 /nfs/dbraw/zinc/09/94/48/668099448.db2.gz MEZUNDIPTSREGN-AEJSXWLSSA-N 1 0 332.372 -1.626 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@H]3C2)n1 ZINC001026332358 668099686 /nfs/dbraw/zinc/09/96/86/668099686.db2.gz MEZUNDIPTSREGN-GUBZILKMSA-N 1 0 332.372 -1.626 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)n1 ZINC001026332359 668099857 /nfs/dbraw/zinc/09/98/57/668099857.db2.gz MEZUNDIPTSREGN-IVZWLZJFSA-N 1 0 332.372 -1.626 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@H]3C2)n1 ZINC001026332360 668099761 /nfs/dbraw/zinc/09/97/61/668099761.db2.gz MEZUNDIPTSREGN-LPEHRKFASA-N 1 0 332.372 -1.626 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1CC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001026332656 668099702 /nfs/dbraw/zinc/09/97/02/668099702.db2.gz NXPDWEMNTWHKHC-AXFHLTTASA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1CC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001026332657 668099671 /nfs/dbraw/zinc/09/96/71/668099671.db2.gz NXPDWEMNTWHKHC-DCAQKATOSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001026332658 668099522 /nfs/dbraw/zinc/09/95/22/668099522.db2.gz NXPDWEMNTWHKHC-GARJFASQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001026332659 668099639 /nfs/dbraw/zinc/09/96/39/668099639.db2.gz NXPDWEMNTWHKHC-HBNTYKKESA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@H]23)nn1 ZINC001026333666 668100390 /nfs/dbraw/zinc/10/03/90/668100390.db2.gz AFXBAKKYHBHQJV-ADEWGFFLSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nnn(C)n4)C[C@H]32)nn1 ZINC001026333667 668100242 /nfs/dbraw/zinc/10/02/42/668100242.db2.gz AFXBAKKYHBHQJV-MVWJERBFSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@H]23)nn1 ZINC001026333668 668100384 /nfs/dbraw/zinc/10/03/84/668100384.db2.gz AFXBAKKYHBHQJV-YUSALJHKSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nnn(C)n4)C[C@@H]32)nn1 ZINC001026333669 668100269 /nfs/dbraw/zinc/10/02/69/668100269.db2.gz AFXBAKKYHBHQJV-ZMLRMANQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)n1 ZINC001026333734 668100225 /nfs/dbraw/zinc/10/02/25/668100225.db2.gz BMPDNVSOWAHRRM-AEJSXWLSSA-N 1 0 347.383 -1.728 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)n1 ZINC001026333735 668100212 /nfs/dbraw/zinc/10/02/12/668100212.db2.gz BMPDNVSOWAHRRM-GUBZILKMSA-N 1 0 347.383 -1.728 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)n1 ZINC001026333736 668100206 /nfs/dbraw/zinc/10/02/06/668100206.db2.gz BMPDNVSOWAHRRM-IVZWLZJFSA-N 1 0 347.383 -1.728 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)n1 ZINC001026333737 668100345 /nfs/dbraw/zinc/10/03/45/668100345.db2.gz BMPDNVSOWAHRRM-LPEHRKFASA-N 1 0 347.383 -1.728 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCn4cncn4)[C@@H]3C2)n1 ZINC001026333879 668100249 /nfs/dbraw/zinc/10/02/49/668100249.db2.gz CNIGVUIBBIBZON-QJPTWQEYSA-N 1 0 331.384 -1.058 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCn4cncn4)[C@H]3C2)n1 ZINC001026333880 668100403 /nfs/dbraw/zinc/10/04/03/668100403.db2.gz CNIGVUIBBIBZON-SDDRHHMPSA-N 1 0 331.384 -1.058 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCn4cncn4)[C@H]3C2)n1 ZINC001026333881 668100304 /nfs/dbraw/zinc/10/03/04/668100304.db2.gz CNIGVUIBBIBZON-SRVKXCTJSA-N 1 0 331.384 -1.058 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCn4cncn4)[C@@H]3C2)n1 ZINC001026333882 668100313 /nfs/dbraw/zinc/10/03/13/668100313.db2.gz CNIGVUIBBIBZON-TUAOUCFPSA-N 1 0 331.384 -1.058 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4cnnn4C)[C@H]3C2)n1 ZINC001026334603 668100362 /nfs/dbraw/zinc/10/03/62/668100362.db2.gz KTOFIHMSHMGZOG-DLOVCJGASA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4cnnn4C)[C@@H]3C2)n1 ZINC001026334604 668100189 /nfs/dbraw/zinc/10/01/89/668100189.db2.gz KTOFIHMSHMGZOG-MVWJERBFSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4cnnn4C)[C@@H]3C2)n1 ZINC001026334605 668100359 /nfs/dbraw/zinc/10/03/59/668100359.db2.gz KTOFIHMSHMGZOG-WCQGTBRESA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4cnnn4C)[C@H]3C2)n1 ZINC001026334606 668100300 /nfs/dbraw/zinc/10/03/00/668100300.db2.gz KTOFIHMSHMGZOG-ZMLRMANQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@H]23)n1 ZINC001026334776 668100864 /nfs/dbraw/zinc/10/08/64/668100864.db2.gz ODNMKGRZBZANAH-ADEWGFFLSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nnn(C)n4)C[C@H]32)n1 ZINC001026334777 668100817 /nfs/dbraw/zinc/10/08/17/668100817.db2.gz ODNMKGRZBZANAH-MVWJERBFSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@H]23)n1 ZINC001026334778 668100663 /nfs/dbraw/zinc/10/06/63/668100663.db2.gz ODNMKGRZBZANAH-YUSALJHKSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nnn(C)n4)C[C@@H]32)n1 ZINC001026334779 668100844 /nfs/dbraw/zinc/10/08/44/668100844.db2.gz ODNMKGRZBZANAH-ZMLRMANQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4ncnn4C)[C@@H]3C2)n1 ZINC001026335198 668102633 /nfs/dbraw/zinc/10/26/33/668102633.db2.gz TXCWFAGWYWDFQM-AXFHLTTASA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4ncnn4C)[C@H]3C2)n1 ZINC001026335199 668102909 /nfs/dbraw/zinc/10/29/09/668102909.db2.gz TXCWFAGWYWDFQM-DCAQKATOSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4ncnn4C)[C@H]3C2)n1 ZINC001026335200 668102865 /nfs/dbraw/zinc/10/28/65/668102865.db2.gz TXCWFAGWYWDFQM-GARJFASQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4ncnn4C)[C@@H]3C2)n1 ZINC001026335201 668102787 /nfs/dbraw/zinc/10/27/87/668102787.db2.gz TXCWFAGWYWDFQM-HBNTYKKESA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCN4CCNC4=O)[C@@H]3C2)n1 ZINC001026335672 668101157 /nfs/dbraw/zinc/10/11/57/668101157.db2.gz ZKMXCFVSVIBLSA-QJPTWQEYSA-N 1 0 348.411 -1.325 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCN4CCNC4=O)[C@H]3C2)n1 ZINC001026335673 668101172 /nfs/dbraw/zinc/10/11/72/668101172.db2.gz ZKMXCFVSVIBLSA-SDDRHHMPSA-N 1 0 348.411 -1.325 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCN4CCNC4=O)[C@H]3C2)n1 ZINC001026335674 668101176 /nfs/dbraw/zinc/10/11/76/668101176.db2.gz ZKMXCFVSVIBLSA-SRVKXCTJSA-N 1 0 348.411 -1.325 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCN4CCNC4=O)[C@@H]3C2)n1 ZINC001026335675 668101300 /nfs/dbraw/zinc/10/13/00/668101300.db2.gz ZKMXCFVSVIBLSA-TUAOUCFPSA-N 1 0 348.411 -1.325 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001026342636 668106849 /nfs/dbraw/zinc/10/68/49/668106849.db2.gz UGOQXXIFZSOQHL-GARJFASQSA-N 1 0 344.379 -1.066 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]12 ZINC001026342637 668106861 /nfs/dbraw/zinc/10/68/61/668106861.db2.gz UGOQXXIFZSOQHL-GMTAPVOTSA-N 1 0 344.379 -1.066 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001026342638 668106631 /nfs/dbraw/zinc/10/66/31/668106631.db2.gz UGOQXXIFZSOQHL-HBNTYKKESA-N 1 0 344.379 -1.066 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]12 ZINC001026342639 668106710 /nfs/dbraw/zinc/10/67/10/668106710.db2.gz UGOQXXIFZSOQHL-OUAUKWLOSA-N 1 0 344.379 -1.066 20 0 EAADRO Cn1c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]23)cc(=O)n(C)c1=O ZINC001026343447 668106614 /nfs/dbraw/zinc/10/66/14/668106614.db2.gz GUVIFCSDHHHTNP-ADEWGFFLSA-N 1 0 349.391 -2.104 20 0 EAADRO Cn1c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)cc(=O)n(C)c1=O ZINC001026343448 668106550 /nfs/dbraw/zinc/10/65/50/668106550.db2.gz GUVIFCSDHHHTNP-MVWJERBFSA-N 1 0 349.391 -2.104 20 0 EAADRO Cn1c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]23)cc(=O)n(C)c1=O ZINC001026343449 668106777 /nfs/dbraw/zinc/10/67/77/668106777.db2.gz GUVIFCSDHHHTNP-YUSALJHKSA-N 1 0 349.391 -2.104 20 0 EAADRO Cn1c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)cc(=O)n(C)c1=O ZINC001026343450 668106908 /nfs/dbraw/zinc/10/69/08/668106908.db2.gz GUVIFCSDHHHTNP-ZMLRMANQSA-N 1 0 349.391 -2.104 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)[C@@H]2C1 ZINC001026346034 668107953 /nfs/dbraw/zinc/10/79/53/668107953.db2.gz IXGJNJICPLLALV-AXFHLTTASA-N 1 0 334.380 -1.380 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)[C@H]2C1 ZINC001026346035 668107832 /nfs/dbraw/zinc/10/78/32/668107832.db2.gz IXGJNJICPLLALV-DCAQKATOSA-N 1 0 334.380 -1.380 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)[C@H]2C1 ZINC001026346037 668107710 /nfs/dbraw/zinc/10/77/10/668107710.db2.gz IXGJNJICPLLALV-GARJFASQSA-N 1 0 334.380 -1.380 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)[C@@H]2C1 ZINC001026346039 668107787 /nfs/dbraw/zinc/10/77/87/668107787.db2.gz IXGJNJICPLLALV-HBNTYKKESA-N 1 0 334.380 -1.380 20 0 EAADRO Cn1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]32)n1 ZINC001026346536 668107819 /nfs/dbraw/zinc/10/78/19/668107819.db2.gz MBHDAMXOWXHXEL-GARJFASQSA-N 1 0 333.396 -1.198 20 0 EAADRO Cn1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@H]23)n1 ZINC001026346537 668108011 /nfs/dbraw/zinc/10/80/11/668108011.db2.gz MBHDAMXOWXHXEL-GMTAPVOTSA-N 1 0 333.396 -1.198 20 0 EAADRO Cn1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]32)n1 ZINC001026346538 668107656 /nfs/dbraw/zinc/10/76/56/668107656.db2.gz MBHDAMXOWXHXEL-HBNTYKKESA-N 1 0 333.396 -1.198 20 0 EAADRO Cn1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]23)n1 ZINC001026346540 668107938 /nfs/dbraw/zinc/10/79/38/668107938.db2.gz MBHDAMXOWXHXEL-OUAUKWLOSA-N 1 0 333.396 -1.198 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001026346598 668107881 /nfs/dbraw/zinc/10/78/81/668107881.db2.gz MHQLSHWUMSJOIV-AXFHLTTASA-N 1 0 337.380 -2.743 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001026346605 668107776 /nfs/dbraw/zinc/10/77/76/668107776.db2.gz MHQLSHWUMSJOIV-DCAQKATOSA-N 1 0 337.380 -2.743 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001026346607 668107870 /nfs/dbraw/zinc/10/78/70/668107870.db2.gz MHQLSHWUMSJOIV-GARJFASQSA-N 1 0 337.380 -2.743 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001026346610 668107687 /nfs/dbraw/zinc/10/76/87/668107687.db2.gz MHQLSHWUMSJOIV-HBNTYKKESA-N 1 0 337.380 -2.743 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cc(=O)n4[n-]ccc4n3)[C@H]2C1 ZINC001026347373 668107929 /nfs/dbraw/zinc/10/79/29/668107929.db2.gz VKVWQOPJMJIDPP-DLOVCJGASA-N 1 0 344.375 -1.166 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(=O)n4[n-]ccc4n3)[C@@H]2C1 ZINC001026347374 668107855 /nfs/dbraw/zinc/10/78/55/668107855.db2.gz VKVWQOPJMJIDPP-MVWJERBFSA-N 1 0 344.375 -1.166 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cc(=O)n4[n-]ccc4n3)[C@@H]2C1 ZINC001026347375 668107922 /nfs/dbraw/zinc/10/79/22/668107922.db2.gz VKVWQOPJMJIDPP-WCQGTBRESA-N 1 0 344.375 -1.166 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(=O)n4[n-]ccc4n3)[C@H]2C1 ZINC001026347376 668107973 /nfs/dbraw/zinc/10/79/73/668107973.db2.gz VKVWQOPJMJIDPP-ZMLRMANQSA-N 1 0 344.375 -1.166 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)[C@@H]2C1 ZINC001026347401 668107919 /nfs/dbraw/zinc/10/79/19/668107919.db2.gz VVNMYKJVDGEQFN-QJPTWQEYSA-N 1 0 344.437 -1.666 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)[C@H]2C1 ZINC001026347402 668108018 /nfs/dbraw/zinc/10/80/18/668108018.db2.gz VVNMYKJVDGEQFN-SDDRHHMPSA-N 1 0 344.437 -1.666 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)[C@H]2C1 ZINC001026347403 668108039 /nfs/dbraw/zinc/10/80/39/668108039.db2.gz VVNMYKJVDGEQFN-SRVKXCTJSA-N 1 0 344.437 -1.666 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)[C@@H]2C1 ZINC001026347404 668107964 /nfs/dbraw/zinc/10/79/64/668107964.db2.gz VVNMYKJVDGEQFN-TUAOUCFPSA-N 1 0 344.437 -1.666 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026356496 668110085 /nfs/dbraw/zinc/11/00/85/668110085.db2.gz SNYUZWLJOVYCAE-GDPRMGEGSA-N 1 0 343.409 -1.510 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026356497 668110273 /nfs/dbraw/zinc/11/02/73/668110273.db2.gz SNYUZWLJOVYCAE-INTQDDNPSA-N 1 0 343.409 -1.510 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026356498 668110015 /nfs/dbraw/zinc/11/00/15/668110015.db2.gz SNYUZWLJOVYCAE-JMJZKYOTSA-N 1 0 343.409 -1.510 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026356499 668110328 /nfs/dbraw/zinc/11/03/28/668110328.db2.gz SNYUZWLJOVYCAE-LSJOCFKGSA-N 1 0 343.409 -1.510 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)c(=O)n(C)c1=O ZINC001026367123 668117046 /nfs/dbraw/zinc/11/70/46/668117046.db2.gz CYFNGAMROGIAIZ-DMDPSCGWSA-N 1 0 336.392 -1.484 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)c(=O)n(C)c1=O ZINC001026367124 668117183 /nfs/dbraw/zinc/11/71/83/668117183.db2.gz CYFNGAMROGIAIZ-GMXVVIOVSA-N 1 0 336.392 -1.484 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)c(=O)n(C)c1=O ZINC001026367125 668117165 /nfs/dbraw/zinc/11/71/65/668117165.db2.gz CYFNGAMROGIAIZ-GVXVVHGQSA-N 1 0 336.392 -1.484 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)c(=O)n(C)c1=O ZINC001026367126 668117098 /nfs/dbraw/zinc/11/70/98/668117098.db2.gz CYFNGAMROGIAIZ-LOWVWBTDSA-N 1 0 336.392 -1.484 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c(=O)n(C)c1=O ZINC001026368164 668117153 /nfs/dbraw/zinc/11/71/53/668117153.db2.gz MSRGHQSUTFFBIV-HOSYDEDBSA-N 1 0 349.391 -1.991 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)c(=O)n(C)c1=O ZINC001026368165 668117191 /nfs/dbraw/zinc/11/71/91/668117191.db2.gz MSRGHQSUTFFBIV-JBLDHEPKSA-N 1 0 349.391 -1.991 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)c(=O)n(C)c1=O ZINC001026368166 668117001 /nfs/dbraw/zinc/11/70/01/668117001.db2.gz MSRGHQSUTFFBIV-NHCYSSNCSA-N 1 0 349.391 -1.991 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c(=O)n(C)c1=O ZINC001026368167 668117026 /nfs/dbraw/zinc/11/70/26/668117026.db2.gz MSRGHQSUTFFBIV-UMNHJUIQSA-N 1 0 349.391 -1.991 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)C1=O ZINC001026368756 668117914 /nfs/dbraw/zinc/11/79/14/668117914.db2.gz RCCJSCQZSORGEL-AXFHLTTASA-N 1 0 338.364 -1.774 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)C1=O ZINC001026368757 668117721 /nfs/dbraw/zinc/11/77/21/668117721.db2.gz RCCJSCQZSORGEL-DCAQKATOSA-N 1 0 338.364 -1.774 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)C1=O ZINC001026368758 668117580 /nfs/dbraw/zinc/11/75/80/668117580.db2.gz RCCJSCQZSORGEL-GARJFASQSA-N 1 0 338.364 -1.774 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)C1=O ZINC001026368759 668117877 /nfs/dbraw/zinc/11/78/77/668117877.db2.gz RCCJSCQZSORGEL-HBNTYKKESA-N 1 0 338.364 -1.774 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026369032 668117094 /nfs/dbraw/zinc/11/70/94/668117094.db2.gz UHISXFBLTRTALG-AVGNSLFASA-N 1 0 346.391 -1.290 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026369033 668116977 /nfs/dbraw/zinc/11/69/77/668116977.db2.gz UHISXFBLTRTALG-RWMBFGLXSA-N 1 0 346.391 -1.290 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026369034 668117225 /nfs/dbraw/zinc/11/72/25/668117225.db2.gz UHISXFBLTRTALG-XQQFMLRXSA-N 1 0 346.391 -1.290 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026369035 668117043 /nfs/dbraw/zinc/11/70/43/668117043.db2.gz UHISXFBLTRTALG-YNEHKIRRSA-N 1 0 346.391 -1.290 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)n1 ZINC001026375054 668119708 /nfs/dbraw/zinc/11/97/08/668119708.db2.gz BGCTUQMEXWSFSD-AXFHLTTASA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnnn4C)[C@H]3C2)n1 ZINC001026375055 668119849 /nfs/dbraw/zinc/11/98/49/668119849.db2.gz BGCTUQMEXWSFSD-DCAQKATOSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@H]3C2)n1 ZINC001026375056 668119694 /nfs/dbraw/zinc/11/96/94/668119694.db2.gz BGCTUQMEXWSFSD-GARJFASQSA-N 1 0 331.384 -1.021 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnnn4C)[C@@H]3C2)n1 ZINC001026375057 668119659 /nfs/dbraw/zinc/11/96/59/668119659.db2.gz BGCTUQMEXWSFSD-HBNTYKKESA-N 1 0 331.384 -1.021 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]12 ZINC001026375466 668120526 /nfs/dbraw/zinc/12/05/26/668120526.db2.gz SOIBZBNHQJCGNU-GRYCIOLGSA-N 1 0 349.391 -1.761 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]12 ZINC001026375467 668120484 /nfs/dbraw/zinc/12/04/84/668120484.db2.gz SOIBZBNHQJCGNU-IJLUTSLNSA-N 1 0 349.391 -1.761 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001026375468 668120608 /nfs/dbraw/zinc/12/06/08/668120608.db2.gz SOIBZBNHQJCGNU-QJPTWQEYSA-N 1 0 349.391 -1.761 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001026375469 668120367 /nfs/dbraw/zinc/12/03/67/668120367.db2.gz SOIBZBNHQJCGNU-SDDRHHMPSA-N 1 0 349.391 -1.761 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026375498 668120400 /nfs/dbraw/zinc/12/04/00/668120400.db2.gz TXWBFEFQOCBRQO-AVGNSLFASA-N 1 0 336.392 -1.254 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026375499 668120706 /nfs/dbraw/zinc/12/07/06/668120706.db2.gz TXWBFEFQOCBRQO-RWMBFGLXSA-N 1 0 336.392 -1.254 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026375500 668120589 /nfs/dbraw/zinc/12/05/89/668120589.db2.gz TXWBFEFQOCBRQO-XQQFMLRXSA-N 1 0 336.392 -1.254 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026375501 668120571 /nfs/dbraw/zinc/12/05/71/668120571.db2.gz TXWBFEFQOCBRQO-YNEHKIRRSA-N 1 0 336.392 -1.254 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001026376752 668121263 /nfs/dbraw/zinc/12/12/63/668121263.db2.gz FSZBSQKGWDSZJJ-AXFHLTTASA-N 1 0 347.379 -1.203 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001026376753 668121374 /nfs/dbraw/zinc/12/13/74/668121374.db2.gz FSZBSQKGWDSZJJ-DCAQKATOSA-N 1 0 347.379 -1.203 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001026376754 668121304 /nfs/dbraw/zinc/12/13/04/668121304.db2.gz FSZBSQKGWDSZJJ-GARJFASQSA-N 1 0 347.379 -1.203 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001026376755 668121341 /nfs/dbraw/zinc/12/13/41/668121341.db2.gz FSZBSQKGWDSZJJ-HBNTYKKESA-N 1 0 347.379 -1.203 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnon3)[C@H]2C1 ZINC001026377744 668122103 /nfs/dbraw/zinc/12/21/03/668122103.db2.gz PGQQXPNHABPQBE-DLOVCJGASA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC001026377745 668122029 /nfs/dbraw/zinc/12/20/29/668122029.db2.gz PGQQXPNHABPQBE-MVWJERBFSA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC001026377746 668122016 /nfs/dbraw/zinc/12/20/16/668122016.db2.gz PGQQXPNHABPQBE-WCQGTBRESA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnon3)[C@H]2C1 ZINC001026377747 668121852 /nfs/dbraw/zinc/12/18/52/668121852.db2.gz PGQQXPNHABPQBE-ZMLRMANQSA-N 1 0 348.363 -1.052 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)n1 ZINC001026378761 668122075 /nfs/dbraw/zinc/12/20/75/668122075.db2.gz YKHHSPQJIXAAPZ-AXFHLTTASA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)n1 ZINC001026378764 668121910 /nfs/dbraw/zinc/12/19/10/668121910.db2.gz YKHHSPQJIXAAPZ-DCAQKATOSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@H]3C2)n1 ZINC001026378766 668122051 /nfs/dbraw/zinc/12/20/51/668122051.db2.gz YKHHSPQJIXAAPZ-GARJFASQSA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)n1 ZINC001026378769 668122080 /nfs/dbraw/zinc/12/20/80/668122080.db2.gz YKHHSPQJIXAAPZ-HBNTYKKESA-N 1 0 346.395 -1.123 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)nc1=O ZINC001026381154 668123727 /nfs/dbraw/zinc/12/37/27/668123727.db2.gz ZGIWCBFFWPCLDZ-IVZWLZJFSA-N 1 0 332.368 -1.133 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)nc1=O ZINC001026381155 668123665 /nfs/dbraw/zinc/12/36/65/668123665.db2.gz ZGIWCBFFWPCLDZ-KXUCPTDWSA-N 1 0 332.368 -1.133 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)nc1=O ZINC001026381156 668123700 /nfs/dbraw/zinc/12/37/00/668123700.db2.gz ZGIWCBFFWPCLDZ-LPEHRKFASA-N 1 0 332.368 -1.133 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)nc1=O ZINC001026381157 668123619 /nfs/dbraw/zinc/12/36/19/668123619.db2.gz ZGIWCBFFWPCLDZ-OPRDCNLKSA-N 1 0 332.368 -1.133 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]12 ZINC001026385414 668125790 /nfs/dbraw/zinc/12/57/90/668125790.db2.gz ARBDZVDWYZOSKY-GRYCIOLGSA-N 1 0 346.399 -1.387 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]12 ZINC001026385415 668125811 /nfs/dbraw/zinc/12/58/11/668125811.db2.gz ARBDZVDWYZOSKY-IJLUTSLNSA-N 1 0 346.399 -1.387 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001026385416 668125737 /nfs/dbraw/zinc/12/57/37/668125737.db2.gz ARBDZVDWYZOSKY-QJPTWQEYSA-N 1 0 346.399 -1.387 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001026385417 668125710 /nfs/dbraw/zinc/12/57/10/668125710.db2.gz ARBDZVDWYZOSKY-SDDRHHMPSA-N 1 0 346.399 -1.387 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]12 ZINC001026390651 668126739 /nfs/dbraw/zinc/12/67/39/668126739.db2.gz UZJHVTHWIMMZFS-FRRDWIJNSA-N 1 0 333.392 -1.055 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]12 ZINC001026390652 668127256 /nfs/dbraw/zinc/12/72/56/668127256.db2.gz UZJHVTHWIMMZFS-JHJVBQTASA-N 1 0 333.392 -1.055 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001026390653 668127432 /nfs/dbraw/zinc/12/74/32/668127432.db2.gz UZJHVTHWIMMZFS-RWMBFGLXSA-N 1 0 333.392 -1.055 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001026390654 668127335 /nfs/dbraw/zinc/12/73/35/668127335.db2.gz UZJHVTHWIMMZFS-YNEHKIRRSA-N 1 0 333.392 -1.055 20 0 EAADRO CN1C(=O)CN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)C1=O ZINC001026396159 668130328 /nfs/dbraw/zinc/13/03/28/668130328.db2.gz CMUYISOUXVDXFG-AXFHLTTASA-N 1 0 337.380 -1.808 20 0 EAADRO CN1C(=O)CN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)C1=O ZINC001026396160 668130296 /nfs/dbraw/zinc/13/02/96/668130296.db2.gz CMUYISOUXVDXFG-DCAQKATOSA-N 1 0 337.380 -1.808 20 0 EAADRO CN1C(=O)CN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)C1=O ZINC001026396161 668130246 /nfs/dbraw/zinc/13/02/46/668130246.db2.gz CMUYISOUXVDXFG-GARJFASQSA-N 1 0 337.380 -1.808 20 0 EAADRO CN1C(=O)CN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)C1=O ZINC001026396162 668130309 /nfs/dbraw/zinc/13/03/09/668130309.db2.gz CMUYISOUXVDXFG-HBNTYKKESA-N 1 0 337.380 -1.808 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]32)nc1=O ZINC001026397723 668130678 /nfs/dbraw/zinc/13/06/78/668130678.db2.gz GWNSRBZTZZABOP-GARJFASQSA-N 1 0 346.395 -1.204 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]23)nc1=O ZINC001026397725 668130976 /nfs/dbraw/zinc/13/09/76/668130976.db2.gz GWNSRBZTZZABOP-GMTAPVOTSA-N 1 0 346.395 -1.204 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]32)nc1=O ZINC001026397726 668130958 /nfs/dbraw/zinc/13/09/58/668130958.db2.gz GWNSRBZTZZABOP-HBNTYKKESA-N 1 0 346.395 -1.204 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]23)nc1=O ZINC001026397727 668130877 /nfs/dbraw/zinc/13/08/77/668130877.db2.gz GWNSRBZTZZABOP-OUAUKWLOSA-N 1 0 346.395 -1.204 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@@H]21 ZINC001026397996 668130662 /nfs/dbraw/zinc/13/06/62/668130662.db2.gz JGRLBVAOLOCXBX-GARJFASQSA-N 1 0 331.384 -1.103 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@@H]12 ZINC001026397997 668130816 /nfs/dbraw/zinc/13/08/16/668130816.db2.gz JGRLBVAOLOCXBX-GMTAPVOTSA-N 1 0 331.384 -1.103 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]21 ZINC001026397998 668130671 /nfs/dbraw/zinc/13/06/71/668130671.db2.gz JGRLBVAOLOCXBX-HBNTYKKESA-N 1 0 331.384 -1.103 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]12 ZINC001026397999 668130987 /nfs/dbraw/zinc/13/09/87/668130987.db2.gz JGRLBVAOLOCXBX-OUAUKWLOSA-N 1 0 331.384 -1.103 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 ZINC001026398514 668130704 /nfs/dbraw/zinc/13/07/04/668130704.db2.gz LYRKSRLRDIHFEC-GARJFASQSA-N 1 0 337.380 -1.760 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]12 ZINC001026398515 668130766 /nfs/dbraw/zinc/13/07/66/668130766.db2.gz LYRKSRLRDIHFEC-GMTAPVOTSA-N 1 0 337.380 -1.760 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 ZINC001026398516 668130838 /nfs/dbraw/zinc/13/08/38/668130838.db2.gz LYRKSRLRDIHFEC-HBNTYKKESA-N 1 0 337.380 -1.760 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]12 ZINC001026398517 668130883 /nfs/dbraw/zinc/13/08/83/668130883.db2.gz LYRKSRLRDIHFEC-OUAUKWLOSA-N 1 0 337.380 -1.760 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026400213 668131821 /nfs/dbraw/zinc/13/18/21/668131821.db2.gz GIVUIPIMBNISIK-AXFHLTTASA-N 1 0 332.364 -1.150 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026400214 668131911 /nfs/dbraw/zinc/13/19/11/668131911.db2.gz GIVUIPIMBNISIK-DCAQKATOSA-N 1 0 332.364 -1.150 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026400215 668131829 /nfs/dbraw/zinc/13/18/29/668131829.db2.gz GIVUIPIMBNISIK-GARJFASQSA-N 1 0 332.364 -1.150 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026400216 668131904 /nfs/dbraw/zinc/13/19/04/668131904.db2.gz GIVUIPIMBNISIK-HBNTYKKESA-N 1 0 332.364 -1.150 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC001026400245 668131998 /nfs/dbraw/zinc/13/19/98/668131998.db2.gz GXBCFLVVCVDSDU-IVZWLZJFSA-N 1 0 345.363 -1.657 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]12 ZINC001026400246 668131887 /nfs/dbraw/zinc/13/18/87/668131887.db2.gz GXBCFLVVCVDSDU-KXUCPTDWSA-N 1 0 345.363 -1.657 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001026400247 668131954 /nfs/dbraw/zinc/13/19/54/668131954.db2.gz GXBCFLVVCVDSDU-LPEHRKFASA-N 1 0 345.363 -1.657 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]12 ZINC001026400248 668131958 /nfs/dbraw/zinc/13/19/58/668131958.db2.gz GXBCFLVVCVDSDU-OPRDCNLKSA-N 1 0 345.363 -1.657 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)n1 ZINC001026401665 668131943 /nfs/dbraw/zinc/13/19/43/668131943.db2.gz CVOZNJSPCRFOQX-AVGNSLFASA-N 1 0 333.392 -1.136 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)n1 ZINC001026401669 668131983 /nfs/dbraw/zinc/13/19/83/668131983.db2.gz CVOZNJSPCRFOQX-RWMBFGLXSA-N 1 0 333.392 -1.136 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)n1 ZINC001026401671 668132014 /nfs/dbraw/zinc/13/20/14/668132014.db2.gz CVOZNJSPCRFOQX-XQQFMLRXSA-N 1 0 333.392 -1.136 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)n1 ZINC001026401672 668131995 /nfs/dbraw/zinc/13/19/95/668131995.db2.gz CVOZNJSPCRFOQX-YNEHKIRRSA-N 1 0 333.392 -1.136 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c(=O)n1C ZINC001026410001 668136355 /nfs/dbraw/zinc/13/63/55/668136355.db2.gz SCRPUJVJSCPWPJ-QJPTWQEYSA-N 1 0 336.396 -1.798 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)c(=O)n1C ZINC001026410002 668136528 /nfs/dbraw/zinc/13/65/28/668136528.db2.gz SCRPUJVJSCPWPJ-SDDRHHMPSA-N 1 0 336.396 -1.798 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)c(=O)n1C ZINC001026410003 668136378 /nfs/dbraw/zinc/13/63/78/668136378.db2.gz SCRPUJVJSCPWPJ-SRVKXCTJSA-N 1 0 336.396 -1.798 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c(=O)n1C ZINC001026410004 668136529 /nfs/dbraw/zinc/13/65/29/668136529.db2.gz SCRPUJVJSCPWPJ-TUAOUCFPSA-N 1 0 336.396 -1.798 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]12 ZINC001026413720 668137501 /nfs/dbraw/zinc/13/75/01/668137501.db2.gz HGPUDUOSFSCRFF-GRYCIOLGSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]12 ZINC001026413721 668137615 /nfs/dbraw/zinc/13/76/15/668137615.db2.gz HGPUDUOSFSCRFF-IJLUTSLNSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 ZINC001026413722 668137509 /nfs/dbraw/zinc/13/75/09/668137509.db2.gz HGPUDUOSFSCRFF-QJPTWQEYSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cncn3)C[C@@H]21 ZINC001026413723 668137588 /nfs/dbraw/zinc/13/75/88/668137588.db2.gz HGPUDUOSFSCRFF-SDDRHHMPSA-N 1 0 331.384 -1.172 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@H]23)nc1=O ZINC001026414057 668137399 /nfs/dbraw/zinc/13/73/99/668137399.db2.gz LKFQJYODZSUPGO-GRYCIOLGSA-N 1 0 346.395 -1.273 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cn4cncn4)C[C@@H]23)nc1=O ZINC001026414058 668137517 /nfs/dbraw/zinc/13/75/17/668137517.db2.gz LKFQJYODZSUPGO-IJLUTSLNSA-N 1 0 346.395 -1.273 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cncn4)C[C@H]32)nc1=O ZINC001026414059 668137549 /nfs/dbraw/zinc/13/75/49/668137549.db2.gz LKFQJYODZSUPGO-QJPTWQEYSA-N 1 0 346.395 -1.273 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cn4cncn4)C[C@@H]32)nc1=O ZINC001026414060 668137467 /nfs/dbraw/zinc/13/74/67/668137467.db2.gz LKFQJYODZSUPGO-SDDRHHMPSA-N 1 0 346.395 -1.273 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001026415398 668138105 /nfs/dbraw/zinc/13/81/05/668138105.db2.gz GQVSRMKLKWVIED-IVZWLZJFSA-N 1 0 332.364 -1.499 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]12 ZINC001026415399 668137931 /nfs/dbraw/zinc/13/79/31/668137931.db2.gz GQVSRMKLKWVIED-KXUCPTDWSA-N 1 0 332.364 -1.499 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001026415400 668137903 /nfs/dbraw/zinc/13/79/03/668137903.db2.gz GQVSRMKLKWVIED-LPEHRKFASA-N 1 0 332.364 -1.499 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]12 ZINC001026415401 668137999 /nfs/dbraw/zinc/13/79/99/668137999.db2.gz GQVSRMKLKWVIED-OPRDCNLKSA-N 1 0 332.364 -1.499 20 0 EAADRO CN1CC(=O)N(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)C1=O ZINC001026416002 668137448 /nfs/dbraw/zinc/13/74/48/668137448.db2.gz PCEJSQZUDILSIA-AXFHLTTASA-N 1 0 337.380 -1.808 20 0 EAADRO CN1CC(=O)N(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)C1=O ZINC001026416003 668137498 /nfs/dbraw/zinc/13/74/98/668137498.db2.gz PCEJSQZUDILSIA-DCAQKATOSA-N 1 0 337.380 -1.808 20 0 EAADRO CN1CC(=O)N(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)C1=O ZINC001026416004 668137990 /nfs/dbraw/zinc/13/79/90/668137990.db2.gz PCEJSQZUDILSIA-GARJFASQSA-N 1 0 337.380 -1.808 20 0 EAADRO CN1CC(=O)N(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)C1=O ZINC001026416005 668137947 /nfs/dbraw/zinc/13/79/47/668137947.db2.gz PCEJSQZUDILSIA-HBNTYKKESA-N 1 0 337.380 -1.808 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnon3)[C@H]2C1 ZINC001026416282 668138325 /nfs/dbraw/zinc/13/83/25/668138325.db2.gz TWKZODJICSGDJK-DLOVCJGASA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC001026416283 668138730 /nfs/dbraw/zinc/13/87/30/668138730.db2.gz TWKZODJICSGDJK-MVWJERBFSA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC001026416284 668138743 /nfs/dbraw/zinc/13/87/43/668138743.db2.gz TWKZODJICSGDJK-WCQGTBRESA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnon3)[C@H]2C1 ZINC001026416285 668138698 /nfs/dbraw/zinc/13/86/98/668138698.db2.gz TWKZODJICSGDJK-ZMLRMANQSA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026417685 668138350 /nfs/dbraw/zinc/13/83/50/668138350.db2.gz DAMYCBDHFMOGEI-BFHYXJOUSA-N 1 0 345.465 -1.464 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026417686 668138343 /nfs/dbraw/zinc/13/83/43/668138343.db2.gz DAMYCBDHFMOGEI-IHRRRGAJSA-N 1 0 345.465 -1.464 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026417687 668138660 /nfs/dbraw/zinc/13/86/60/668138660.db2.gz DAMYCBDHFMOGEI-MELADBBJSA-N 1 0 345.465 -1.464 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026417688 668138644 /nfs/dbraw/zinc/13/86/44/668138644.db2.gz DAMYCBDHFMOGEI-MJBXVCDLSA-N 1 0 345.465 -1.464 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)c(=O)[nH]c1=O ZINC001026418759 668138677 /nfs/dbraw/zinc/13/86/77/668138677.db2.gz IXECSTVQFDNTJY-ATZCPNFKSA-N 1 0 335.364 -1.589 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c(=O)[nH]c1=O ZINC001026418760 668138570 /nfs/dbraw/zinc/13/85/70/668138570.db2.gz IXECSTVQFDNTJY-IQJOONFLSA-N 1 0 335.364 -1.589 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c(=O)[nH]c1=O ZINC001026418761 668138749 /nfs/dbraw/zinc/13/87/49/668138749.db2.gz IXECSTVQFDNTJY-NGZCFLSTSA-N 1 0 335.364 -1.589 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)c(=O)[nH]c1=O ZINC001026418762 668138712 /nfs/dbraw/zinc/13/87/12/668138712.db2.gz IXECSTVQFDNTJY-QXEWZRGKSA-N 1 0 335.364 -1.589 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]12 ZINC001026419831 668138988 /nfs/dbraw/zinc/13/89/88/668138988.db2.gz YAIPINJOVVTQFN-GRYCIOLGSA-N 1 0 343.391 -1.021 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]12 ZINC001026419832 668139070 /nfs/dbraw/zinc/13/90/70/668139070.db2.gz YAIPINJOVVTQFN-IJLUTSLNSA-N 1 0 343.391 -1.021 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 ZINC001026419833 668139016 /nfs/dbraw/zinc/13/90/16/668139016.db2.gz YAIPINJOVVTQFN-QJPTWQEYSA-N 1 0 343.391 -1.021 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001026419834 668139106 /nfs/dbraw/zinc/13/91/06/668139106.db2.gz YAIPINJOVVTQFN-SDDRHHMPSA-N 1 0 343.391 -1.021 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 ZINC001026426021 668140087 /nfs/dbraw/zinc/14/00/87/668140087.db2.gz IKKOSJLCYSLYNJ-IVZWLZJFSA-N 1 0 335.368 -2.311 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]12 ZINC001026426025 668140042 /nfs/dbraw/zinc/14/00/42/668140042.db2.gz IKKOSJLCYSLYNJ-KXUCPTDWSA-N 1 0 335.368 -2.311 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001026426027 668140095 /nfs/dbraw/zinc/14/00/95/668140095.db2.gz IKKOSJLCYSLYNJ-LPEHRKFASA-N 1 0 335.368 -2.311 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]12 ZINC001026426029 668140601 /nfs/dbraw/zinc/14/06/01/668140601.db2.gz IKKOSJLCYSLYNJ-OPRDCNLKSA-N 1 0 335.368 -2.311 20 0 EAADRO C[C@@H]([NH2+]C1CCC(NC(=O)Cn2cnnn2)CC1)c1nnnn1C ZINC001026449452 668146256 /nfs/dbraw/zinc/14/62/56/668146256.db2.gz PSJWFRPZETWBMY-KPPDAEKUSA-N 1 0 334.388 -1.025 20 0 EAADRO C[C@H]([NH2+]C1CCC(NC(=O)Cn2cnnn2)CC1)c1nnnn1C ZINC001026449453 668146235 /nfs/dbraw/zinc/14/62/35/668146235.db2.gz PSJWFRPZETWBMY-WHXUTIOJSA-N 1 0 334.388 -1.025 20 0 EAADRO Cn1cnc(C(=O)NC2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)n1 ZINC001026489166 668147121 /nfs/dbraw/zinc/14/71/21/668147121.db2.gz XYBIZRYQRCVHAN-UHFFFAOYSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)NC2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)nn1 ZINC001026489555 685107131 /nfs/dbraw/zinc/10/71/31/685107131.db2.gz RUOQTZZFAQUMOK-UHFFFAOYSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCC(NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001026500489 685107957 /nfs/dbraw/zinc/10/79/57/685107957.db2.gz ONJLCJZLGXZNAW-UHFFFAOYSA-N 1 0 342.425 -1.228 20 0 EAADRO O=C(NC1CCC([NH2+][C@@H]2CCNC2=O)CC1)C1CS(=O)(=O)C1 ZINC001026500514 685107864 /nfs/dbraw/zinc/10/78/64/685107864.db2.gz PFKGQTUZLKDAHO-HTAVTVPLSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(NC1CCC([NH2+][C@H]2CCNC2=O)CC1)C1CS(=O)(=O)C1 ZINC001026500515 685107841 /nfs/dbraw/zinc/10/78/41/685107841.db2.gz PFKGQTUZLKDAHO-MCIGGMRASA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(Cn1nccn1)NC1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001026501171 685107857 /nfs/dbraw/zinc/10/78/57/685107857.db2.gz JJLLCMRDVNGYJN-UHFFFAOYSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CCC(NC(=O)Cn3nccn3)CC2)nc1=O ZINC001026501365 685107830 /nfs/dbraw/zinc/10/78/30/685107830.db2.gz OKBXBILLDGNXHB-UHFFFAOYSA-N 1 0 334.384 -1.083 20 0 EAADRO COCCN1C[C@@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC1=O ZINC001026502597 685107951 /nfs/dbraw/zinc/10/79/51/685107951.db2.gz MOJZYUONEFKMJA-HIFPTAJRSA-N 1 0 340.424 -1.016 20 0 EAADRO COCCN1C[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC1=O ZINC001026502598 685108191 /nfs/dbraw/zinc/10/81/91/685108191.db2.gz MOJZYUONEFKMJA-PNESKVBLSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@H](O)C[NH2+]C1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001026502712 685108141 /nfs/dbraw/zinc/10/81/41/685108141.db2.gz AAZIJQZIEJNQOJ-HIFPTAJRSA-N 1 0 338.408 -1.055 20 0 EAADRO C[C@@H](O)C[NH2+]C1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001026502713 685107794 /nfs/dbraw/zinc/10/77/94/685107794.db2.gz AAZIJQZIEJNQOJ-PNESKVBLSA-N 1 0 338.408 -1.055 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)c1=O ZINC001026503036 685107758 /nfs/dbraw/zinc/10/77/58/685107758.db2.gz HVUXGMOKBPFUDU-UHFFFAOYSA-N 1 0 337.380 -1.951 20 0 EAADRO C[C@H]([NH2+]C1CCC(NC(=O)CN2CCCS2(=O)=O)CC1)C(N)=O ZINC001026503604 685108144 /nfs/dbraw/zinc/10/81/44/685108144.db2.gz BPSMZGGTJSZKJJ-UNXYVOJBSA-N 1 0 346.453 -1.087 20 0 EAADRO C[C@@H]([NH2+]C1CCC(NC(=O)CN2CCCS2(=O)=O)CC1)C(N)=O ZINC001026503605 685108173 /nfs/dbraw/zinc/10/81/73/685108173.db2.gz BPSMZGGTJSZKJJ-VOMCLLRMSA-N 1 0 346.453 -1.087 20 0 EAADRO NC(=O)C[NH2+]C1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001026503872 685108038 /nfs/dbraw/zinc/10/80/38/685108038.db2.gz PWEGPBFRXGYXNL-UHFFFAOYSA-N 1 0 332.426 -1.476 20 0 EAADRO O=C(CN1CCOCC1=O)NC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001026506246 685108126 /nfs/dbraw/zinc/10/81/26/685108126.db2.gz MZVFSNVCPOXSGP-BPCQOVAHSA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(CN1CCOCC1=O)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001026506247 685107852 /nfs/dbraw/zinc/10/78/52/685107852.db2.gz MZVFSNVCPOXSGP-WXRRBKDZSA-N 1 0 338.408 -1.249 20 0 EAADRO C[C@H]([NH2+]C1CCC(NC(=O)CN2CCOCC2=O)CC1)C(N)=O ZINC001026506344 685108034 /nfs/dbraw/zinc/10/80/34/685108034.db2.gz RWGNNHZBNOFWKJ-UNXYVOJBSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@@H]([NH2+]C1CCC(NC(=O)CN2CCOCC2=O)CC1)C(N)=O ZINC001026506345 685108171 /nfs/dbraw/zinc/10/81/71/685108171.db2.gz RWGNNHZBNOFWKJ-VOMCLLRMSA-N 1 0 326.397 -1.264 20 0 EAADRO Cn1cnnc1C[NH2+]C1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001026508078 685108176 /nfs/dbraw/zinc/10/81/76/685108176.db2.gz BRKNFIDUEDCVBT-ILDUYXDCSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1ncc(C[NH2+]C2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)n1 ZINC001026508261 685107997 /nfs/dbraw/zinc/10/79/97/685107997.db2.gz LIHRMUWLOAGLMZ-CBINBANVSA-N 1 0 349.395 -1.070 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001026508317 685108097 /nfs/dbraw/zinc/10/80/97/685108097.db2.gz OREHLJQXBVBTPO-MCIGGMRASA-N 1 0 349.395 -1.107 20 0 EAADRO Cn1cc(C[NH2+]C2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)nn1 ZINC001026508368 685108136 /nfs/dbraw/zinc/10/81/36/685108136.db2.gz RVBYGDZRPHLKIO-CBINBANVSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1ncnc1C[NH2+]C1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001026508405 668147685 /nfs/dbraw/zinc/14/76/85/668147685.db2.gz UGTMJJSZUSNDJX-ILDUYXDCSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1nncc1C[NH2+]C1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001026508517 668147719 /nfs/dbraw/zinc/14/77/19/668147719.db2.gz YZQSFQSNYZEUJP-CBINBANVSA-N 1 0 349.395 -1.070 20 0 EAADRO CC[C@@H]([NH2+]C1CCC(NC(=O)Cn2ncn(C)c2=O)CC1)C(N)=O ZINC001026517732 668147691 /nfs/dbraw/zinc/14/76/91/668147691.db2.gz AZZLGAKTBLQGHG-HTAVTVPLSA-N 1 0 338.412 -1.137 20 0 EAADRO CC[C@H]([NH2+]C1CCC(NC(=O)Cn2ncn(C)c2=O)CC1)C(N)=O ZINC001026517733 668147694 /nfs/dbraw/zinc/14/76/94/668147694.db2.gz AZZLGAKTBLQGHG-MCIGGMRASA-N 1 0 338.412 -1.137 20 0 EAADRO Cn1cnnc1C[NH2+]C1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001026517774 668147608 /nfs/dbraw/zinc/14/76/08/668147608.db2.gz BTKYZARKOIQTGU-UHFFFAOYSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)NC2CCC([NH2+]Cc3nnnn3C)CC2)c1=O ZINC001026517843 668147615 /nfs/dbraw/zinc/14/76/15/668147615.db2.gz DMCSVXYWODEVSV-UHFFFAOYSA-N 1 0 349.399 -1.678 20 0 EAADRO CN1CCN(CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC1=O ZINC001026517968 668147707 /nfs/dbraw/zinc/14/77/07/668147707.db2.gz WUPODFDQQPFKMY-UHFFFAOYSA-N 1 0 325.413 -1.737 20 0 EAADRO C[C@H]([NH2+]C1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1)C(N)=O ZINC001026518008 668147500 /nfs/dbraw/zinc/14/75/00/668147500.db2.gz XRNCVHQMSTYBAJ-HIFPTAJRSA-N 1 0 339.440 -1.349 20 0 EAADRO C[C@@H]([NH2+]C1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1)C(N)=O ZINC001026518009 668147678 /nfs/dbraw/zinc/14/76/78/668147678.db2.gz XRNCVHQMSTYBAJ-PNESKVBLSA-N 1 0 339.440 -1.349 20 0 EAADRO Cn1cnn(CC(=O)NC2CCC([NH2+]Cc3cnn(C)n3)CC2)c1=O ZINC001026518254 668147722 /nfs/dbraw/zinc/14/77/22/668147722.db2.gz LGFMREGMYILDCR-UHFFFAOYSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)NC2CCC([NH2+]Cc3cnnn3C)CC2)c1=O ZINC001026518272 668147714 /nfs/dbraw/zinc/14/77/14/668147714.db2.gz MSTMJIZBIZZZPE-UHFFFAOYSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cc(C[NH2+]C2CCC(NC(=O)Cn3ncn(C)c3=O)CC2)nn1 ZINC001026518281 668147749 /nfs/dbraw/zinc/14/77/49/668147749.db2.gz NHFCNWLFMUYCLS-UHFFFAOYSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)NC2CCC([NH2+]Cc3ncnn3C)CC2)c1=O ZINC001026518285 668147768 /nfs/dbraw/zinc/14/77/68/668147768.db2.gz NNVKXCQMYQGJJF-UHFFFAOYSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)NC2CCC([NH2+][C@@H]3CCNC3=O)CC2)c1=O ZINC001026518286 668147674 /nfs/dbraw/zinc/14/76/74/668147674.db2.gz NOAUELZVJSAHLE-HTAVTVPLSA-N 1 0 336.396 -1.513 20 0 EAADRO Cn1cnn(CC(=O)NC2CCC([NH2+][C@H]3CCNC3=O)CC2)c1=O ZINC001026518287 668147410 /nfs/dbraw/zinc/14/74/10/668147410.db2.gz NOAUELZVJSAHLE-MCIGGMRASA-N 1 0 336.396 -1.513 20 0 EAADRO Cn1cnn(CC(=O)NC2CCC([NH2+]CCn3cncn3)CC2)c1=O ZINC001026518433 668147555 /nfs/dbraw/zinc/14/75/55/668147555.db2.gz UZQKKKYGHRWFAE-UHFFFAOYSA-N 1 0 348.411 -1.110 20 0 EAADRO O=C(C[NH2+]C1CCC(NC(=O)c2cn[nH]n2)CC1)N1CCNC(=O)C1 ZINC001026520386 668147485 /nfs/dbraw/zinc/14/74/85/668147485.db2.gz OWYGEMVHWNQDML-UHFFFAOYSA-N 1 0 349.395 -1.606 20 0 EAADRO O=C(NC1CCC([NH2+]CCN2C(=O)CNC2=O)CC1)c1cn[nH]n1 ZINC001026520952 668147735 /nfs/dbraw/zinc/14/77/35/668147735.db2.gz PNKDNLNCCJMZJV-UHFFFAOYSA-N 1 0 335.368 -1.013 20 0 EAADRO C[C@@H]([NH2+]C1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1)C(N)=O ZINC001026523511 668147764 /nfs/dbraw/zinc/14/77/64/668147764.db2.gz BENQSSFKOGSWMZ-KPPDAEKUSA-N 1 0 337.380 -1.160 20 0 EAADRO C[C@H]([NH2+]C1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1)C(N)=O ZINC001026523512 668147656 /nfs/dbraw/zinc/14/76/56/668147656.db2.gz BENQSSFKOGSWMZ-WHXUTIOJSA-N 1 0 337.380 -1.160 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001026523712 668147629 /nfs/dbraw/zinc/14/76/29/668147629.db2.gz MXBGGAHXKPPZDJ-HTAVTVPLSA-N 1 0 349.391 -1.146 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001026523713 668147653 /nfs/dbraw/zinc/14/76/53/668147653.db2.gz MXBGGAHXKPPZDJ-MCIGGMRASA-N 1 0 349.391 -1.146 20 0 EAADRO NC(=O)C[NH2+]C1CCC(NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001026528738 668147731 /nfs/dbraw/zinc/14/77/31/668147731.db2.gz VWGFVBQNPBLPCD-UHFFFAOYSA-N 1 0 346.453 -1.086 20 0 EAADRO NC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001026532335 668147677 /nfs/dbraw/zinc/14/76/77/668147677.db2.gz DAQMRWLDVFUCLL-RTBKNWGFSA-N 1 0 346.409 -2.598 20 0 EAADRO O=C(NC1CCC([NH2+]CCF)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001026532482 668147726 /nfs/dbraw/zinc/14/77/26/668147726.db2.gz IVOKFSZHXMOGDH-ILDUYXDCSA-N 1 0 335.401 -1.114 20 0 EAADRO O=C(NC1CCC([NH2+]CCO)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001026532585 668147699 /nfs/dbraw/zinc/14/76/99/668147699.db2.gz OGWYPLSYNPUAJD-ILDUYXDCSA-N 1 0 333.410 -2.091 20 0 EAADRO NC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001026533095 668147668 /nfs/dbraw/zinc/14/76/68/668147668.db2.gz OYTYNVUXSGGLJT-CBINBANVSA-N 1 0 334.380 -1.132 20 0 EAADRO NC(=O)C[NH2+]C1CCC(NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001026537821 668147603 /nfs/dbraw/zinc/14/76/03/668147603.db2.gz UINCECDDBWOCCK-UHFFFAOYSA-N 1 0 346.391 -1.002 20 0 EAADRO Cc1nc(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)nn1-c1nc[nH]n1 ZINC001026538214 668147572 /nfs/dbraw/zinc/14/75/72/668147572.db2.gz OGPCGFSOBJZJTJ-UHFFFAOYSA-N 1 0 347.383 -1.190 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CCC(NC(=O)[C@H]3CCNC3=O)CC2)nc1=O ZINC001026539657 668147680 /nfs/dbraw/zinc/14/76/80/668147680.db2.gz FFFPVRUTAZLAGW-ILDUYXDCSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)nc1=O ZINC001026539658 668147728 /nfs/dbraw/zinc/14/77/28/668147728.db2.gz FFFPVRUTAZLAGW-VQXHTEKXSA-N 1 0 336.396 -1.239 20 0 EAADRO CC[C@H]([NH2+]C1CCC(NC(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC001026539703 668147730 /nfs/dbraw/zinc/14/77/30/668147730.db2.gz GCBPQUPPELJRDG-BPCQOVAHSA-N 1 0 339.440 -1.301 20 0 EAADRO CC[C@@H]([NH2+]C1CCC(NC(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC001026539710 668147697 /nfs/dbraw/zinc/14/76/97/668147697.db2.gz GCBPQUPPELJRDG-WXRRBKDZSA-N 1 0 339.440 -1.301 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001026539724 668147720 /nfs/dbraw/zinc/14/77/20/668147720.db2.gz GOCRBTHXAJZWDA-UHFFFAOYSA-N 1 0 349.439 -1.273 20 0 EAADRO Cn1cnnc1C[NH2+]C1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001026539814 668147711 /nfs/dbraw/zinc/14/77/11/668147711.db2.gz KPVZCSNSPYKPHU-UHFFFAOYSA-N 1 0 349.439 -1.236 20 0 EAADRO Cn1nncc1C[NH2+]C1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001026539895 668147756 /nfs/dbraw/zinc/14/77/56/668147756.db2.gz ODTXSLMFMWDRCQ-UHFFFAOYSA-N 1 0 349.439 -1.236 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001026539923 668147548 /nfs/dbraw/zinc/14/75/48/668147548.db2.gz QCZGPTSKGLHCBG-BPCQOVAHSA-N 1 0 337.424 -1.676 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001026539924 668148053 /nfs/dbraw/zinc/14/80/53/668148053.db2.gz QCZGPTSKGLHCBG-WXRRBKDZSA-N 1 0 337.424 -1.676 20 0 EAADRO Cn1ncnc1C[NH2+]C1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001026539933 668148132 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CC[C@H]([NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001026602895 668148997 /nfs/dbraw/zinc/14/89/97/668148997.db2.gz JUINKCUUBWVBRD-ILDUYXDCSA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@@H]([NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001026602896 668149330 /nfs/dbraw/zinc/14/93/30/668149330.db2.gz JUINKCUUBWVBRD-VQXHTEKXSA-N 1 0 339.396 -1.181 20 0 EAADRO Cn1cnnc1C[NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001026602919 668149086 /nfs/dbraw/zinc/14/90/86/668149086.db2.gz KZINAIWGBFFCIO-UHFFFAOYSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1nncc1C[NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001026602987 668149124 /nfs/dbraw/zinc/14/91/24/668149124.db2.gz OHDFFVGVZSBFSI-UHFFFAOYSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001026602992 668149199 /nfs/dbraw/zinc/14/91/99/668149199.db2.gz OPYIMFCZESGHQR-UHFFFAOYSA-N 1 0 349.395 -1.124 20 0 EAADRO Cn1ncnc1C[NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001026603076 668148985 /nfs/dbraw/zinc/14/89/85/668148985.db2.gz 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C[C@@H]([NH2+]C1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1)C(N)=O ZINC001026611001 668149507 /nfs/dbraw/zinc/14/95/07/668149507.db2.gz YWPFJPXQJDYBTG-XNWIYYODSA-N 1 0 337.384 -1.732 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001026615054 668149723 /nfs/dbraw/zinc/14/97/23/668149723.db2.gz DFYDAILXLJQUTB-KPPDAEKUSA-N 1 0 349.395 -1.220 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001026615055 668149571 /nfs/dbraw/zinc/14/95/71/668149571.db2.gz DFYDAILXLJQUTB-WHXUTIOJSA-N 1 0 349.395 -1.220 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)nc1=O ZINC001026664120 668150587 /nfs/dbraw/zinc/15/05/87/668150587.db2.gz PEZGHWGPKMXLBQ-LLVKDONJSA-N 1 0 332.364 -1.006 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)nc1=O ZINC001026664121 668150800 /nfs/dbraw/zinc/15/08/00/668150800.db2.gz PEZGHWGPKMXLBQ-NSHDSACASA-N 1 0 332.364 -1.006 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nc1=O ZINC001026664822 668151078 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O=C(Cn1cnnn1)N1CC[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001026672894 668150741 /nfs/dbraw/zinc/15/07/41/668150741.db2.gz UJVKWTLQOFJZEJ-VXGBXAGGSA-N 1 0 331.384 -1.110 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3=O)C2)nc1=O ZINC001026673134 668150663 /nfs/dbraw/zinc/15/06/63/668150663.db2.gz YQFKQFPGPJMZBJ-LLVKDONJSA-N 1 0 336.396 -1.331 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)nc1=O ZINC001026673135 668150648 /nfs/dbraw/zinc/15/06/48/668150648.db2.gz YQFKQFPGPJMZBJ-NSHDSACASA-N 1 0 336.396 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001026673154 668150986 /nfs/dbraw/zinc/15/09/86/668150986.db2.gz ZAXVYTDXSSGYSP-LLVKDONJSA-N 1 0 337.363 -1.128 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001026673155 668151173 /nfs/dbraw/zinc/15/11/73/668151173.db2.gz ZAXVYTDXSSGYSP-NSHDSACASA-N 1 0 337.363 -1.128 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001026673192 668151102 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0 EAADRO O=C(CCn1cncn1)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026689628 668150994 /nfs/dbraw/zinc/15/09/94/668150994.db2.gz PGHKMEAVZLIWCQ-NEPJUHHUSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(CCn1cncn1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026689629 668151126 /nfs/dbraw/zinc/15/11/26/668151126.db2.gz PGHKMEAVZLIWCQ-NWDGAFQWSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(CCn1cncn1)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026689630 668151224 /nfs/dbraw/zinc/15/12/24/668151224.db2.gz PGHKMEAVZLIWCQ-RYUDHWBXSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(CCn1cncn1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026689631 668151282 /nfs/dbraw/zinc/15/12/82/668151282.db2.gz PGHKMEAVZLIWCQ-VXGBXAGGSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)nc1=O ZINC001026697830 668151185 /nfs/dbraw/zinc/15/11/85/668151185.db2.gz CNNPHTFPLPMEEP-GHMZBOCLSA-N 1 0 325.369 -1.538 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001026697831 668151023 /nfs/dbraw/zinc/15/10/23/668151023.db2.gz CNNPHTFPLPMEEP-MNOVXSKESA-N 1 0 325.369 -1.538 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001026697832 668151167 /nfs/dbraw/zinc/15/11/67/668151167.db2.gz CNNPHTFPLPMEEP-QWRGUYRKSA-N 1 0 325.369 -1.538 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)nc1=O ZINC001026697833 668151013 /nfs/dbraw/zinc/15/10/13/668151013.db2.gz CNNPHTFPLPMEEP-WDEREUQCSA-N 1 0 325.369 -1.538 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001026716351 668151151 /nfs/dbraw/zinc/15/11/51/668151151.db2.gz MUIKFOHTSKUGCU-NXEZZACHSA-N 1 0 330.414 -1.246 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001026716352 668151219 /nfs/dbraw/zinc/15/12/19/668151219.db2.gz MUIKFOHTSKUGCU-UWVGGRQHSA-N 1 0 330.414 -1.246 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001026716353 668151060 /nfs/dbraw/zinc/15/10/60/668151060.db2.gz MUIKFOHTSKUGCU-VHSXEESVSA-N 1 0 330.414 -1.246 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001026716354 668151190 /nfs/dbraw/zinc/15/11/90/668151190.db2.gz MUIKFOHTSKUGCU-ZJUUUORDSA-N 1 0 330.414 -1.246 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026716405 668151004 /nfs/dbraw/zinc/15/10/04/668151004.db2.gz ONHNNWXFUJXNBL-NXEZZACHSA-N 1 0 331.394 -1.726 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026716406 668151682 /nfs/dbraw/zinc/15/16/82/668151682.db2.gz ONHNNWXFUJXNBL-UWVGGRQHSA-N 1 0 331.394 -1.726 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026716407 668151648 /nfs/dbraw/zinc/15/16/48/668151648.db2.gz ONHNNWXFUJXNBL-VHSXEESVSA-N 1 0 331.394 -1.726 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026716408 668151480 /nfs/dbraw/zinc/15/14/80/668151480.db2.gz ONHNNWXFUJXNBL-ZJUUUORDSA-N 1 0 331.394 -1.726 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CS(C)(=O)=O)C2)nc1=O ZINC001026716544 668151541 /nfs/dbraw/zinc/15/15/41/668151541.db2.gz SRPYEYSGAISRIY-SECBINFHSA-N 1 0 331.398 -1.909 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)nc1=O ZINC001026716545 668151578 /nfs/dbraw/zinc/15/15/78/668151578.db2.gz SRPYEYSGAISRIY-VIFPVBQESA-N 1 0 331.398 -1.909 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001026716678 668151710 /nfs/dbraw/zinc/15/17/10/668151710.db2.gz YWVPHXNFDYFFNY-JTQLQIEISA-N 1 0 342.425 -1.009 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001026716679 668151500 /nfs/dbraw/zinc/15/15/00/668151500.db2.gz YWVPHXNFDYFFNY-SNVBAGLBSA-N 1 0 342.425 -1.009 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026738722 668151882 /nfs/dbraw/zinc/15/18/82/668151882.db2.gz GMFGVZIPHJMETM-NXEZZACHSA-N 1 0 332.364 -1.084 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026738723 668152064 /nfs/dbraw/zinc/15/20/64/668152064.db2.gz GMFGVZIPHJMETM-UWVGGRQHSA-N 1 0 332.364 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668152018 /nfs/dbraw/zinc/15/20/18/668152018.db2.gz DTOGTCHCNGSTRI-SNVBAGLBSA-N 1 0 337.380 -2.103 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1)[nH]c2=O ZINC001026743104 668152246 /nfs/dbraw/zinc/15/22/46/668152246.db2.gz KAYZXDOLTWSXHO-SECBINFHSA-N 1 0 347.379 -1.118 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1)[nH]c2=O ZINC001026743105 668152013 /nfs/dbraw/zinc/15/20/13/668152013.db2.gz KAYZXDOLTWSXHO-VIFPVBQESA-N 1 0 347.379 -1.118 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@H]3CCN(C(=O)CC(N)=O)C3)C2=O)n1 ZINC001026743106 668152011 /nfs/dbraw/zinc/15/20/11/668152011.db2.gz KCDARXQYGGGVHV-NEPJUHHUSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCN(C(=O)CC(N)=O)C3)C2=O)n1 ZINC001026743107 668151997 /nfs/dbraw/zinc/15/19/97/668151997.db2.gz KCDARXQYGGGVHV-NWDGAFQWSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCN(C(=O)CC(N)=O)C3)C2=O)n1 ZINC001026743108 668151961 /nfs/dbraw/zinc/15/19/61/668151961.db2.gz KCDARXQYGGGVHV-RYUDHWBXSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCN(C(=O)CC(N)=O)C3)C2=O)n1 ZINC001026743109 668152213 /nfs/dbraw/zinc/15/22/13/668152213.db2.gz KCDARXQYGGGVHV-VXGBXAGGSA-N 1 0 348.407 -1.161 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC001026743420 668151935 /nfs/dbraw/zinc/15/19/35/668151935.db2.gz PGPFDQOEDDGCDY-NEPJUHHUSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC001026743421 668152068 /nfs/dbraw/zinc/15/20/68/668152068.db2.gz PGPFDQOEDDGCDY-NWDGAFQWSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC001026743422 668152173 /nfs/dbraw/zinc/15/21/73/668152173.db2.gz PGPFDQOEDDGCDY-RYUDHWBXSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC001026743423 668152007 /nfs/dbraw/zinc/15/20/07/668152007.db2.gz PGPFDQOEDDGCDY-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H]3CCN(C(=O)CC(N)=O)C3)C2=O)cn1 ZINC001026743996 668151994 /nfs/dbraw/zinc/15/19/94/668151994.db2.gz ZZUTTZMNPLLTGZ-AAEUAGOBSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H]3CCN(C(=O)CC(N)=O)C3)C2=O)cn1 ZINC001026743997 668152041 /nfs/dbraw/zinc/15/20/41/668152041.db2.gz ZZUTTZMNPLLTGZ-DGCLKSJQSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H]3CCN(C(=O)CC(N)=O)C3)C2=O)cn1 ZINC001026743998 668151925 /nfs/dbraw/zinc/15/19/25/668151925.db2.gz ZZUTTZMNPLLTGZ-WCQYABFASA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@H]3CCN(C(=O)CC(N)=O)C3)C2=O)cn1 ZINC001026743999 668152120 /nfs/dbraw/zinc/15/21/20/668152120.db2.gz ZZUTTZMNPLLTGZ-YPMHNXCESA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)nc1=O ZINC001026749235 668152253 /nfs/dbraw/zinc/15/22/53/668152253.db2.gz DAGXVTFUOVGQDC-NEPJUHHUSA-N 1 0 338.412 -1.623 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)nc1=O ZINC001026749236 668151971 /nfs/dbraw/zinc/15/19/71/668151971.db2.gz DAGXVTFUOVGQDC-NWDGAFQWSA-N 1 0 338.412 -1.623 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)nc1=O ZINC001026749237 668152107 /nfs/dbraw/zinc/15/21/07/668152107.db2.gz DAGXVTFUOVGQDC-RYUDHWBXSA-N 1 0 338.412 -1.623 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)nc1=O ZINC001026749238 668152155 /nfs/dbraw/zinc/15/21/55/668152155.db2.gz DAGXVTFUOVGQDC-VXGBXAGGSA-N 1 0 338.412 -1.623 20 0 EAADRO Cc1c(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nnn1C ZINC001026750327 668152240 /nfs/dbraw/zinc/15/22/40/668152240.db2.gz ARWZFZHWZOKXEC-JTQLQIEISA-N 1 0 334.384 -1.203 20 0 EAADRO Cc1c(C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nnn1C ZINC001026750328 668152046 /nfs/dbraw/zinc/15/20/46/668152046.db2.gz ARWZFZHWZOKXEC-SNVBAGLBSA-N 1 0 334.384 -1.203 20 0 EAADRO Cc1c(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nnn1C ZINC001026752157 668151898 /nfs/dbraw/zinc/15/18/98/668151898.db2.gz WPSMYMSHAGNFRZ-GHMZBOCLSA-N 1 0 334.380 -1.020 20 0 EAADRO Cc1c(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nnn1C ZINC001026752162 668152134 /nfs/dbraw/zinc/15/21/34/668152134.db2.gz WPSMYMSHAGNFRZ-MNOVXSKESA-N 1 0 334.380 -1.020 20 0 EAADRO Cc1c(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nnn1C ZINC001026752164 668152102 /nfs/dbraw/zinc/15/21/02/668152102.db2.gz WPSMYMSHAGNFRZ-QWRGUYRKSA-N 1 0 334.380 -1.020 20 0 EAADRO Cc1c(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nnn1C ZINC001026752166 668151886 /nfs/dbraw/zinc/15/18/86/668151886.db2.gz WPSMYMSHAGNFRZ-WDEREUQCSA-N 1 0 334.380 -1.020 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)nc1=O ZINC001026775955 668153061 /nfs/dbraw/zinc/15/30/61/668153061.db2.gz ADBYHZOEVJBZLS-GHMZBOCLSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)nc1=O ZINC001026775956 668153110 /nfs/dbraw/zinc/15/31/10/668153110.db2.gz ADBYHZOEVJBZLS-MNOVXSKESA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)nc1=O ZINC001026775957 668153105 /nfs/dbraw/zinc/15/31/05/668153105.db2.gz ADBYHZOEVJBZLS-QWRGUYRKSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)nc1=O ZINC001026775958 668153071 /nfs/dbraw/zinc/15/30/71/668153071.db2.gz ADBYHZOEVJBZLS-WDEREUQCSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nc1=O ZINC001026780609 668153216 /nfs/dbraw/zinc/15/32/16/668153216.db2.gz KLGNQFDTFURHPF-GHMZBOCLSA-N 1 0 337.380 -1.000 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nc1=O ZINC001026780610 668152965 /nfs/dbraw/zinc/15/29/65/668152965.db2.gz KLGNQFDTFURHPF-MNOVXSKESA-N 1 0 337.380 -1.000 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nc1=O ZINC001026780611 668153223 /nfs/dbraw/zinc/15/32/23/668153223.db2.gz KLGNQFDTFURHPF-QWRGUYRKSA-N 1 0 337.380 -1.000 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nc1=O ZINC001026780612 668153193 /nfs/dbraw/zinc/15/31/93/668153193.db2.gz KLGNQFDTFURHPF-WDEREUQCSA-N 1 0 337.380 -1.000 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CN3CCOCC3)C2)nc1=O ZINC001026791043 668153736 /nfs/dbraw/zinc/15/37/36/668153736.db2.gz POGPKOMHZZJTCA-GFCCVEGCSA-N 1 0 338.412 -1.621 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCOCC3)C2)nc1=O ZINC001026791044 668153769 /nfs/dbraw/zinc/15/37/69/668153769.db2.gz POGPKOMHZZJTCA-LBPRGKRZSA-N 1 0 338.412 -1.621 20 0 EAADRO O=C(CN1CCOCC1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026791277 668153621 /nfs/dbraw/zinc/15/36/21/668153621.db2.gz VZHIRYPHVMENFE-CHWSQXEVSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026791278 668153729 /nfs/dbraw/zinc/15/37/29/668153729.db2.gz VZHIRYPHVMENFE-OLZOCXBDSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026791279 668153646 /nfs/dbraw/zinc/15/36/46/668153646.db2.gz VZHIRYPHVMENFE-QWHCGFSZSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026791280 668153783 /nfs/dbraw/zinc/15/37/83/668153783.db2.gz VZHIRYPHVMENFE-STQMWFEESA-N 1 0 338.408 -1.438 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)nc1=O ZINC001026791655 668153682 /nfs/dbraw/zinc/15/36/82/668153682.db2.gz FRHIYYGFWJUXKK-NEPJUHHUSA-N 1 0 338.412 -1.623 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)C2)nc1=O ZINC001026791656 668153689 /nfs/dbraw/zinc/15/36/89/668153689.db2.gz FRHIYYGFWJUXKK-NWDGAFQWSA-N 1 0 338.412 -1.623 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)nc1=O ZINC001026791657 668153755 /nfs/dbraw/zinc/15/37/55/668153755.db2.gz FRHIYYGFWJUXKK-RYUDHWBXSA-N 1 0 338.412 -1.623 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3COCCN3C)C2)nc1=O ZINC001026791658 668153821 /nfs/dbraw/zinc/15/38/21/668153821.db2.gz FRHIYYGFWJUXKK-VXGBXAGGSA-N 1 0 338.412 -1.623 20 0 EAADRO C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)n1cncn1 ZINC001026791927 668153805 /nfs/dbraw/zinc/15/38/05/668153805.db2.gz MQNKVHROWICKQC-GHMZBOCLSA-N 1 0 334.384 -1.101 20 0 EAADRO C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)n1cncn1 ZINC001026791928 668153703 /nfs/dbraw/zinc/15/37/03/668153703.db2.gz MQNKVHROWICKQC-MNOVXSKESA-N 1 0 334.384 -1.101 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)n1cncn1 ZINC001026791929 668153587 /nfs/dbraw/zinc/15/35/87/668153587.db2.gz MQNKVHROWICKQC-QWRGUYRKSA-N 1 0 334.384 -1.101 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)n1cncn1 ZINC001026791930 668153746 /nfs/dbraw/zinc/15/37/46/668153746.db2.gz MQNKVHROWICKQC-WDEREUQCSA-N 1 0 334.384 -1.101 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CN3CN=NC3=O)C2)nc1=O ZINC001026794483 668153633 /nfs/dbraw/zinc/15/36/33/668153633.db2.gz JZFUXQQOGVDHBZ-SECBINFHSA-N 1 0 336.356 -1.956 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)nc1=O ZINC001026794484 668153613 /nfs/dbraw/zinc/15/36/13/668153613.db2.gz JZFUXQQOGVDHBZ-VIFPVBQESA-N 1 0 336.356 -1.956 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001026794553 668153695 /nfs/dbraw/zinc/15/36/95/668153695.db2.gz LHJWBACQRRTZKC-NXEZZACHSA-N 1 0 335.372 -1.294 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001026794554 668153794 /nfs/dbraw/zinc/15/37/94/668153794.db2.gz LHJWBACQRRTZKC-UWVGGRQHSA-N 1 0 335.372 -1.294 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001026794555 668153826 /nfs/dbraw/zinc/15/38/26/668153826.db2.gz LHJWBACQRRTZKC-VHSXEESVSA-N 1 0 335.372 -1.294 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001026794556 668153539 /nfs/dbraw/zinc/15/35/39/668153539.db2.gz LHJWBACQRRTZKC-ZJUUUORDSA-N 1 0 335.372 -1.294 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026794777 668154430 /nfs/dbraw/zinc/15/44/30/668154430.db2.gz PQATYMDWZMGQDC-NXEZZACHSA-N 1 0 336.352 -1.773 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026794778 668154179 /nfs/dbraw/zinc/15/41/79/668154179.db2.gz PQATYMDWZMGQDC-UWVGGRQHSA-N 1 0 336.352 -1.773 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026794779 668154271 /nfs/dbraw/zinc/15/42/71/668154271.db2.gz PQATYMDWZMGQDC-VHSXEESVSA-N 1 0 336.352 -1.773 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026794780 668154350 /nfs/dbraw/zinc/15/43/50/668154350.db2.gz PQATYMDWZMGQDC-ZJUUUORDSA-N 1 0 336.352 -1.773 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001026794979 668154330 /nfs/dbraw/zinc/15/43/30/668154330.db2.gz VVPXTLRTEWDORM-JTQLQIEISA-N 1 0 347.383 -1.057 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001026794980 668154211 /nfs/dbraw/zinc/15/42/11/668154211.db2.gz VVPXTLRTEWDORM-SNVBAGLBSA-N 1 0 347.383 -1.057 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c1N ZINC001026799775 668154171 /nfs/dbraw/zinc/15/41/71/668154171.db2.gz MMQGMMHWTDCQMK-GXSJLCMTSA-N 1 0 334.380 -1.141 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c1N ZINC001026799776 668154168 /nfs/dbraw/zinc/15/41/68/668154168.db2.gz MMQGMMHWTDCQMK-KOLCDFICSA-N 1 0 334.380 -1.141 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c1N ZINC001026799777 668154202 /nfs/dbraw/zinc/15/42/02/668154202.db2.gz MMQGMMHWTDCQMK-MWLCHTKSSA-N 1 0 334.380 -1.141 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c1N ZINC001026799778 668154246 /nfs/dbraw/zinc/15/42/46/668154246.db2.gz MMQGMMHWTDCQMK-ONGXEEELSA-N 1 0 334.380 -1.141 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)c1N ZINC001026799951 668154310 /nfs/dbraw/zinc/15/43/10/668154310.db2.gz QUJUYLCFSGTUHQ-SECBINFHSA-N 1 0 334.384 -1.324 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)c1N ZINC001026799952 668154324 /nfs/dbraw/zinc/15/43/24/668154324.db2.gz QUJUYLCFSGTUHQ-VIFPVBQESA-N 1 0 334.384 -1.324 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)nc1=O ZINC001026807054 668154692 /nfs/dbraw/zinc/15/46/92/668154692.db2.gz BPPMGKIWJMLYRV-SECBINFHSA-N 1 0 336.352 -1.348 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)nc1=O ZINC001026807055 668154625 /nfs/dbraw/zinc/15/46/25/668154625.db2.gz BPPMGKIWJMLYRV-VIFPVBQESA-N 1 0 336.352 -1.348 20 0 EAADRO O=C(CCn1ccnn1)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026807068 668154896 /nfs/dbraw/zinc/15/48/96/668154896.db2.gz CGWFKTDNIIRXJR-NEPJUHHUSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(CCn1ccnn1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026807069 668154670 /nfs/dbraw/zinc/15/46/70/668154670.db2.gz CGWFKTDNIIRXJR-NWDGAFQWSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(CCn1ccnn1)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026807070 668154844 /nfs/dbraw/zinc/15/48/44/668154844.db2.gz CGWFKTDNIIRXJR-RYUDHWBXSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(CCn1ccnn1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026807071 668154674 /nfs/dbraw/zinc/15/46/74/668154674.db2.gz CGWFKTDNIIRXJR-VXGBXAGGSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CCn3ccnn3)C2)nc1=O ZINC001026807342 668154941 /nfs/dbraw/zinc/15/49/41/668154941.db2.gz HRXIIFHTDLJKOF-LLVKDONJSA-N 1 0 334.384 -1.272 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CCn3ccnn3)C2)nc1=O ZINC001026807343 668154964 /nfs/dbraw/zinc/15/49/64/668154964.db2.gz HRXIIFHTDLJKOF-NSHDSACASA-N 1 0 334.384 -1.272 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001026808564 668154705 /nfs/dbraw/zinc/15/47/05/668154705.db2.gz IHKSDWAHIYCXLJ-AAEUAGOBSA-N 1 0 336.392 -1.292 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001026808565 668154787 /nfs/dbraw/zinc/15/47/87/668154787.db2.gz IHKSDWAHIYCXLJ-DGCLKSJQSA-N 1 0 336.392 -1.292 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001026808566 668154959 /nfs/dbraw/zinc/15/49/59/668154959.db2.gz IHKSDWAHIYCXLJ-WCQYABFASA-N 1 0 336.392 -1.292 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001026808567 668154823 /nfs/dbraw/zinc/15/48/23/668154823.db2.gz IHKSDWAHIYCXLJ-YPMHNXCESA-N 1 0 336.392 -1.292 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001026809281 668154648 /nfs/dbraw/zinc/15/46/48/668154648.db2.gz USINHVTWOHVSBS-LLVKDONJSA-N 1 0 336.396 -1.475 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001026809282 668154976 /nfs/dbraw/zinc/15/49/76/668154976.db2.gz USINHVTWOHVSBS-NSHDSACASA-N 1 0 336.396 -1.475 20 0 EAADRO Cn1oc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026809343 668154962 /nfs/dbraw/zinc/15/49/62/668154962.db2.gz WHRPIGUCHRHCHC-NXEZZACHSA-N 1 0 336.348 -1.165 20 0 EAADRO Cn1oc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026809344 668154958 /nfs/dbraw/zinc/15/49/58/668154958.db2.gz WHRPIGUCHRHCHC-UWVGGRQHSA-N 1 0 336.348 -1.165 20 0 EAADRO Cn1oc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026809345 668154995 /nfs/dbraw/zinc/15/49/95/668154995.db2.gz WHRPIGUCHRHCHC-VHSXEESVSA-N 1 0 336.348 -1.165 20 0 EAADRO Cn1oc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026809346 668154968 /nfs/dbraw/zinc/15/49/68/668154968.db2.gz WHRPIGUCHRHCHC-ZJUUUORDSA-N 1 0 336.348 -1.165 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)o1 ZINC001026824444 668155323 /nfs/dbraw/zinc/15/53/23/668155323.db2.gz OUSLDNFATVCWHK-JTQLQIEISA-N 1 0 335.368 -1.019 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)o1 ZINC001026824445 668155334 /nfs/dbraw/zinc/15/53/34/668155334.db2.gz OUSLDNFATVCWHK-SNVBAGLBSA-N 1 0 335.368 -1.019 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001026827663 668155293 /nfs/dbraw/zinc/15/52/93/668155293.db2.gz IIXIXGLESWWPFQ-JTQLQIEISA-N 1 0 334.384 -1.028 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001026827664 668155445 /nfs/dbraw/zinc/15/54/45/668155445.db2.gz IIXIXGLESWWPFQ-SNVBAGLBSA-N 1 0 334.384 -1.028 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001026828597 668156207 /nfs/dbraw/zinc/15/62/07/668156207.db2.gz DASGLMOVPBGJGW-JTQLQIEISA-N 1 0 334.384 -1.028 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001026828598 668156111 /nfs/dbraw/zinc/15/61/11/668156111.db2.gz DASGLMOVPBGJGW-SNVBAGLBSA-N 1 0 334.384 -1.028 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]1 ZINC001026833756 668155798 /nfs/dbraw/zinc/15/57/98/668155798.db2.gz PGLMIJXZFNOXMC-JTQLQIEISA-N 1 0 334.384 -1.284 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]1 ZINC001026833757 668155857 /nfs/dbraw/zinc/15/58/57/668155857.db2.gz PGLMIJXZFNOXMC-SNVBAGLBSA-N 1 0 334.384 -1.284 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001026834490 668156128 /nfs/dbraw/zinc/15/61/28/668156128.db2.gz ZURLWIOTCQPQPF-GHMZBOCLSA-N 1 0 334.380 -1.101 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001026834491 668155925 /nfs/dbraw/zinc/15/59/25/668155925.db2.gz ZURLWIOTCQPQPF-MNOVXSKESA-N 1 0 334.380 -1.101 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001026834492 668156163 /nfs/dbraw/zinc/15/61/63/668156163.db2.gz ZURLWIOTCQPQPF-QWRGUYRKSA-N 1 0 334.380 -1.101 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001026834493 668156061 /nfs/dbraw/zinc/15/60/61/668156061.db2.gz ZURLWIOTCQPQPF-WDEREUQCSA-N 1 0 334.380 -1.101 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@H](CNCc3nnn(C)n3)C2)nn1 ZINC001026839784 668156497 /nfs/dbraw/zinc/15/64/97/668156497.db2.gz HQZOGPCBPLQIOI-LLVKDONJSA-N 1 0 349.399 -1.300 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H](CNCc3nnn(C)n3)C2)nn1 ZINC001026839785 668156554 /nfs/dbraw/zinc/15/65/54/668156554.db2.gz HQZOGPCBPLQIOI-NSHDSACASA-N 1 0 349.399 -1.300 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001026840739 668156472 /nfs/dbraw/zinc/15/64/72/668156472.db2.gz WDWFSYNPKHMJSU-NEPJUHHUSA-N 1 0 336.396 -1.135 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001026840740 668156541 /nfs/dbraw/zinc/15/65/41/668156541.db2.gz WDWFSYNPKHMJSU-NWDGAFQWSA-N 1 0 336.396 -1.135 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001026840741 668156794 /nfs/dbraw/zinc/15/67/94/668156794.db2.gz WDWFSYNPKHMJSU-RYUDHWBXSA-N 1 0 336.396 -1.135 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001026840742 668156494 /nfs/dbraw/zinc/15/64/94/668156494.db2.gz WDWFSYNPKHMJSU-VXGBXAGGSA-N 1 0 336.396 -1.135 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)nn1 ZINC001026840936 668156437 /nfs/dbraw/zinc/15/64/37/668156437.db2.gz ZUHBGPZFMQTVLX-LLVKDONJSA-N 1 0 349.399 -1.300 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)nn1 ZINC001026840937 668156771 /nfs/dbraw/zinc/15/67/71/668156771.db2.gz ZUHBGPZFMQTVLX-NSHDSACASA-N 1 0 349.399 -1.300 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)nc1=O ZINC001026841748 668156479 /nfs/dbraw/zinc/15/64/79/668156479.db2.gz OBQYCNZHWMXCLO-NEPJUHHUSA-N 1 0 339.396 -1.148 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nc1=O ZINC001026841749 668156623 /nfs/dbraw/zinc/15/66/23/668156623.db2.gz OBQYCNZHWMXCLO-NWDGAFQWSA-N 1 0 339.396 -1.148 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)nc1=O ZINC001026841750 668157140 /nfs/dbraw/zinc/15/71/40/668157140.db2.gz OBQYCNZHWMXCLO-RYUDHWBXSA-N 1 0 339.396 -1.148 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nc1=O ZINC001026841751 668157089 /nfs/dbraw/zinc/15/70/89/668157089.db2.gz OBQYCNZHWMXCLO-VXGBXAGGSA-N 1 0 339.396 -1.148 20 0 EAADRO CC(C)n1nnnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001026844430 668156761 /nfs/dbraw/zinc/15/67/61/668156761.db2.gz KCDISBDKSMCRPI-LLVKDONJSA-N 1 0 334.388 -1.121 20 0 EAADRO CC(C)n1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001026844431 668156660 /nfs/dbraw/zinc/15/66/60/668156660.db2.gz KCDISBDKSMCRPI-NSHDSACASA-N 1 0 334.388 -1.121 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001026845205 668157212 /nfs/dbraw/zinc/15/72/12/668157212.db2.gz WIWIVTGOGKADJQ-LLVKDONJSA-N 1 0 337.363 -1.128 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001026845206 668157183 /nfs/dbraw/zinc/15/71/83/668157183.db2.gz WIWIVTGOGKADJQ-NSHDSACASA-N 1 0 337.363 -1.128 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026845376 668157162 /nfs/dbraw/zinc/15/71/62/668157162.db2.gz ZIQYYBRMDBRYSE-LLVKDONJSA-N 1 0 347.383 -1.567 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026845377 668157219 /nfs/dbraw/zinc/15/72/19/668157219.db2.gz ZIQYYBRMDBRYSE-NSHDSACASA-N 1 0 347.383 -1.567 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001026845446 668157598 /nfs/dbraw/zinc/15/75/98/668157598.db2.gz BHIGTEMHQBWZLP-JTQLQIEISA-N 1 0 332.372 -1.367 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001026845447 668157763 /nfs/dbraw/zinc/15/77/63/668157763.db2.gz BHIGTEMHQBWZLP-SNVBAGLBSA-N 1 0 332.372 -1.367 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001026846583 668157237 /nfs/dbraw/zinc/15/72/37/668157237.db2.gz BRGPYVZJWSJKPO-LLVKDONJSA-N 1 0 334.388 -1.292 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001026846584 668157191 /nfs/dbraw/zinc/15/71/91/668157191.db2.gz BRGPYVZJWSJKPO-NSHDSACASA-N 1 0 334.388 -1.292 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001026847272 668157197 /nfs/dbraw/zinc/15/71/97/668157197.db2.gz XZPLXAGKEIOQCI-NEPJUHHUSA-N 1 0 342.425 -1.454 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001026847273 668157299 /nfs/dbraw/zinc/15/72/99/668157299.db2.gz XZPLXAGKEIOQCI-NWDGAFQWSA-N 1 0 342.425 -1.454 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001026847454 668157048 /nfs/dbraw/zinc/15/70/48/668157048.db2.gz XZPLXAGKEIOQCI-RYUDHWBXSA-N 1 0 342.425 -1.454 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001026847458 668157129 /nfs/dbraw/zinc/15/71/29/668157129.db2.gz XZPLXAGKEIOQCI-VXGBXAGGSA-N 1 0 342.425 -1.454 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001026848396 668157293 /nfs/dbraw/zinc/15/72/93/668157293.db2.gz ZAPURJRPKVRCAP-NEPJUHHUSA-N 1 0 331.384 -1.110 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001026848397 668157166 /nfs/dbraw/zinc/15/71/66/668157166.db2.gz ZAPURJRPKVRCAP-NWDGAFQWSA-N 1 0 331.384 -1.110 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001026848398 668157054 /nfs/dbraw/zinc/15/70/54/668157054.db2.gz ZAPURJRPKVRCAP-RYUDHWBXSA-N 1 0 331.384 -1.110 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001026848399 668157189 /nfs/dbraw/zinc/15/71/89/668157189.db2.gz ZAPURJRPKVRCAP-VXGBXAGGSA-N 1 0 331.384 -1.110 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)nn1 ZINC001026853208 668157859 /nfs/dbraw/zinc/15/78/59/668157859.db2.gz ATZRAIIGVFROSR-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)nn1 ZINC001026853209 668157870 /nfs/dbraw/zinc/15/78/70/668157870.db2.gz ATZRAIIGVFROSR-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853212 668157770 /nfs/dbraw/zinc/15/77/70/668157770.db2.gz AUGQWFNREXHKAD-JTQLQIEISA-N 1 0 348.367 -1.293 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853213 668157808 /nfs/dbraw/zinc/15/78/08/668157808.db2.gz AUGQWFNREXHKAD-SNVBAGLBSA-N 1 0 348.367 -1.293 20 0 EAADRO Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001026853256 668157677 /nfs/dbraw/zinc/15/76/77/668157677.db2.gz BQHYWBLOHPERCG-JTQLQIEISA-N 1 0 348.367 -1.293 20 0 EAADRO Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001026853257 668157642 /nfs/dbraw/zinc/15/76/42/668157642.db2.gz BQHYWBLOHPERCG-SNVBAGLBSA-N 1 0 348.367 -1.293 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC001026853288 668157668 /nfs/dbraw/zinc/15/76/68/668157668.db2.gz CPCCNTQANHWERK-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)cn1 ZINC001026853289 668157703 /nfs/dbraw/zinc/15/77/03/668157703.db2.gz CPCCNTQANHWERK-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853320 668157605 /nfs/dbraw/zinc/15/76/05/668157605.db2.gz DHFUJBWBRDKEJC-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853321 668157608 /nfs/dbraw/zinc/15/76/08/668157608.db2.gz DHFUJBWBRDKEJC-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+]Cc3ncccn3)C2)n1 ZINC001026853400 668157778 /nfs/dbraw/zinc/15/77/78/668157778.db2.gz GIEINGQJRXZJEJ-LLVKDONJSA-N 1 0 344.379 -1.195 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+]Cc3ncccn3)C2)n1 ZINC001026853401 668157788 /nfs/dbraw/zinc/15/77/88/668157788.db2.gz GIEINGQJRXZJEJ-NSHDSACASA-N 1 0 344.379 -1.195 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001026853416 668157719 /nfs/dbraw/zinc/15/77/19/668157719.db2.gz GQNGNVZKSSYDME-GHMZBOCLSA-N 1 0 349.395 -1.954 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001026853417 668157843 /nfs/dbraw/zinc/15/78/43/668157843.db2.gz GQNGNVZKSSYDME-MNOVXSKESA-N 1 0 349.395 -1.954 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001026853418 668157595 /nfs/dbraw/zinc/15/75/95/668157595.db2.gz GQNGNVZKSSYDME-QWRGUYRKSA-N 1 0 349.395 -1.954 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1=O ZINC001026853419 668157734 /nfs/dbraw/zinc/15/77/34/668157734.db2.gz GQNGNVZKSSYDME-WDEREUQCSA-N 1 0 349.395 -1.954 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)o1 ZINC001026853550 668157601 /nfs/dbraw/zinc/15/76/01/668157601.db2.gz KMOKFVIJXIMTMO-JTQLQIEISA-N 1 0 348.367 -1.293 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)o1 ZINC001026853551 668157876 /nfs/dbraw/zinc/15/78/76/668157876.db2.gz KMOKFVIJXIMTMO-SNVBAGLBSA-N 1 0 348.367 -1.293 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001026853676 668157583 /nfs/dbraw/zinc/15/75/83/668157583.db2.gz NGTNMPMHOCHOLV-GHMZBOCLSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001026853677 668157829 /nfs/dbraw/zinc/15/78/29/668157829.db2.gz NGTNMPMHOCHOLV-MNOVXSKESA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001026853678 668157833 /nfs/dbraw/zinc/15/78/33/668157833.db2.gz NGTNMPMHOCHOLV-QWRGUYRKSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001026853679 668157837 /nfs/dbraw/zinc/15/78/37/668157837.db2.gz NGTNMPMHOCHOLV-WDEREUQCSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001026853700 668157748 /nfs/dbraw/zinc/15/77/48/668157748.db2.gz OGJBXAXQNCUTPE-NXEZZACHSA-N 1 0 335.368 -2.296 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001026853701 668157751 /nfs/dbraw/zinc/15/77/51/668157751.db2.gz OGJBXAXQNCUTPE-UWVGGRQHSA-N 1 0 335.368 -2.296 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001026853702 668157667 /nfs/dbraw/zinc/15/76/67/668157667.db2.gz OGJBXAXQNCUTPE-VHSXEESVSA-N 1 0 335.368 -2.296 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001026853703 668157670 /nfs/dbraw/zinc/15/76/70/668157670.db2.gz OGJBXAXQNCUTPE-ZJUUUORDSA-N 1 0 335.368 -2.296 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)[nH]1 ZINC001026853704 668158198 /nfs/dbraw/zinc/15/81/98/668158198.db2.gz OGOJYOTVRIVZPJ-JTQLQIEISA-N 1 0 347.383 -1.558 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)[nH]1 ZINC001026853705 668158162 /nfs/dbraw/zinc/15/81/62/668158162.db2.gz OGOJYOTVRIVZPJ-SNVBAGLBSA-N 1 0 347.383 -1.558 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001026853742 668158179 /nfs/dbraw/zinc/15/81/79/668158179.db2.gz PNRUDSVLBNEIHL-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001026853743 668158274 /nfs/dbraw/zinc/15/82/74/668158274.db2.gz PNRUDSVLBNEIHL-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853758 668158285 /nfs/dbraw/zinc/15/82/85/668158285.db2.gz QHGIYEMMYZKZOD-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853759 668158255 /nfs/dbraw/zinc/15/82/55/668158255.db2.gz QHGIYEMMYZKZOD-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+]C[C@@H]3CCOC3)C2)n1 ZINC001026853846 668158169 /nfs/dbraw/zinc/15/81/69/668158169.db2.gz UBMHQIPBIVAIQM-NEPJUHHUSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+]C[C@H]3CCOC3)C2)n1 ZINC001026853847 668158288 /nfs/dbraw/zinc/15/82/88/668158288.db2.gz UBMHQIPBIVAIQM-NWDGAFQWSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)n1 ZINC001026853848 668158121 /nfs/dbraw/zinc/15/81/21/668158121.db2.gz UBMHQIPBIVAIQM-RYUDHWBXSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+]C[C@H]3CCOC3)C2)n1 ZINC001026853849 668158131 /nfs/dbraw/zinc/15/81/31/668158131.db2.gz UBMHQIPBIVAIQM-VXGBXAGGSA-N 1 0 336.396 -1.148 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853914 668158133 /nfs/dbraw/zinc/15/81/33/668158133.db2.gz VQUJETOGDZNSJY-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853915 668158224 /nfs/dbraw/zinc/15/82/24/668158224.db2.gz VQUJETOGDZNSJY-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853962 668158309 /nfs/dbraw/zinc/15/83/09/668158309.db2.gz WYDJDBHODYTYDE-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026853963 668158261 /nfs/dbraw/zinc/15/82/61/668158261.db2.gz WYDJDBHODYTYDE-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001026854002 668158175 /nfs/dbraw/zinc/15/81/75/668158175.db2.gz XYSMPKRQKVBJOB-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)n1 ZINC001026854003 668158183 /nfs/dbraw/zinc/15/81/83/668158183.db2.gz XYSMPKRQKVBJOB-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026854008 668158303 /nfs/dbraw/zinc/15/83/03/668158303.db2.gz YCQMEMIZQLGGFY-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026854009 668158337 /nfs/dbraw/zinc/15/83/37/668158337.db2.gz YCQMEMIZQLGGFY-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001026854018 668158171 /nfs/dbraw/zinc/15/81/71/668158171.db2.gz YICVXQDWAIVFEU-SECBINFHSA-N 1 0 334.340 -1.602 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001026854019 668158100 /nfs/dbraw/zinc/15/81/00/668158100.db2.gz YICVXQDWAIVFEU-VIFPVBQESA-N 1 0 334.340 -1.602 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026854030 668158193 /nfs/dbraw/zinc/15/81/93/668158193.db2.gz YUDDNUIGVBKTBJ-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026854031 668158328 /nfs/dbraw/zinc/15/83/28/668158328.db2.gz YUDDNUIGVBKTBJ-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026854036 668158125 /nfs/dbraw/zinc/15/81/25/668158125.db2.gz ZDPHRMWDASCUOX-SECBINFHSA-N 1 0 348.371 -2.461 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001026854037 668158188 /nfs/dbraw/zinc/15/81/88/668158188.db2.gz ZDPHRMWDASCUOX-VIFPVBQESA-N 1 0 348.371 -2.461 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026862324 668158107 /nfs/dbraw/zinc/15/81/07/668158107.db2.gz NFGQZTOUXXMVLM-SECBINFHSA-N 1 0 328.398 -1.807 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026862325 668158291 /nfs/dbraw/zinc/15/82/91/668158291.db2.gz NFGQZTOUXXMVLM-VIFPVBQESA-N 1 0 328.398 -1.807 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nc1=O ZINC001026862994 668158339 /nfs/dbraw/zinc/15/83/39/668158339.db2.gz BEXIKGKZWSJGFF-SECBINFHSA-N 1 0 343.409 -1.909 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nc1=O ZINC001026862995 668158236 /nfs/dbraw/zinc/15/82/36/668158236.db2.gz BEXIKGKZWSJGFF-VIFPVBQESA-N 1 0 343.409 -1.909 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026863010 668158147 /nfs/dbraw/zinc/15/81/47/668158147.db2.gz BJYUDNDDCXNZET-GXSJLCMTSA-N 1 0 343.405 -1.726 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026863011 668158272 /nfs/dbraw/zinc/15/82/72/668158272.db2.gz BJYUDNDDCXNZET-KOLCDFICSA-N 1 0 343.405 -1.726 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026863012 668158116 /nfs/dbraw/zinc/15/81/16/668158116.db2.gz BJYUDNDDCXNZET-MWLCHTKSSA-N 1 0 343.405 -1.726 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026863013 668158256 /nfs/dbraw/zinc/15/82/56/668158256.db2.gz BJYUDNDDCXNZET-ONGXEEELSA-N 1 0 343.405 -1.726 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001026863014 668158202 /nfs/dbraw/zinc/15/82/02/668158202.db2.gz BKPJMGRNQVIEPG-JTQLQIEISA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001026863015 668158227 /nfs/dbraw/zinc/15/82/27/668158227.db2.gz BKPJMGRNQVIEPG-SNVBAGLBSA-N 1 0 327.410 -1.202 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026863430 668158354 /nfs/dbraw/zinc/15/83/54/668158354.db2.gz KYECLXPYAFNZGW-CMPLNLGQSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001026863431 668158352 /nfs/dbraw/zinc/15/83/52/668158352.db2.gz KYECLXPYAFNZGW-JQWIXIFHSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001026863432 668158157 /nfs/dbraw/zinc/15/81/57/668158157.db2.gz KYECLXPYAFNZGW-PWSUYJOCSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026863433 668158842 /nfs/dbraw/zinc/15/88/42/668158842.db2.gz KYECLXPYAFNZGW-ZYHUDNBSSA-N 1 0 329.422 -1.252 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026863578 668158834 /nfs/dbraw/zinc/15/88/34/668158834.db2.gz NXHHLJMLVFHVPK-JTQLQIEISA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026863579 668158710 /nfs/dbraw/zinc/15/87/10/668158710.db2.gz NXHHLJMLVFHVPK-SNVBAGLBSA-N 1 0 327.410 -1.202 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)c1nnnn1C ZINC001026863580 668158642 /nfs/dbraw/zinc/15/86/42/668158642.db2.gz NXWOOOCXKODFAP-NXEZZACHSA-N 1 0 342.425 -1.246 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)c1nnnn1C ZINC001026863581 668158622 /nfs/dbraw/zinc/15/86/22/668158622.db2.gz NXWOOOCXKODFAP-UWVGGRQHSA-N 1 0 342.425 -1.246 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)c1nnnn1C ZINC001026863582 668158632 /nfs/dbraw/zinc/15/86/32/668158632.db2.gz NXWOOOCXKODFAP-VHSXEESVSA-N 1 0 342.425 -1.246 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)c1nnnn1C ZINC001026863583 668158613 /nfs/dbraw/zinc/15/86/13/668158613.db2.gz NXWOOOCXKODFAP-ZJUUUORDSA-N 1 0 342.425 -1.246 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001026863588 668158587 /nfs/dbraw/zinc/15/85/87/668158587.db2.gz OCPADCQAQLPPSY-CMPLNLGQSA-N 1 0 329.422 -1.300 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001026863589 668158584 /nfs/dbraw/zinc/15/85/84/668158584.db2.gz OCPADCQAQLPPSY-JQWIXIFHSA-N 1 0 329.422 -1.300 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001026863590 668158726 /nfs/dbraw/zinc/15/87/26/668158726.db2.gz OCPADCQAQLPPSY-PWSUYJOCSA-N 1 0 329.422 -1.300 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)C1=O ZINC001026863591 668158695 /nfs/dbraw/zinc/15/86/95/668158695.db2.gz OCPADCQAQLPPSY-ZYHUDNBSSA-N 1 0 329.422 -1.300 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026863636 668158804 /nfs/dbraw/zinc/15/88/04/668158804.db2.gz PBKRZUUQSRVMJI-JTQLQIEISA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026863637 668158779 /nfs/dbraw/zinc/15/87/79/668158779.db2.gz PBKRZUUQSRVMJI-SNVBAGLBSA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001026863960 668158668 /nfs/dbraw/zinc/15/86/68/668158668.db2.gz VOOPXBFNOMTCLR-JTQLQIEISA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001026863961 668158591 /nfs/dbraw/zinc/15/85/91/668158591.db2.gz VOOPXBFNOMTCLR-SNVBAGLBSA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026864002 668158734 /nfs/dbraw/zinc/15/87/34/668158734.db2.gz WJXNGRGECGLIFK-JTQLQIEISA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001026864003 668158788 /nfs/dbraw/zinc/15/87/88/668158788.db2.gz WJXNGRGECGLIFK-SNVBAGLBSA-N 1 0 327.410 -1.202 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC001026866433 668158280 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EAADRO C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1)N1C(=O)CCC1=O ZINC001026875656 668159092 /nfs/dbraw/zinc/15/90/92/668159092.db2.gz KAWALISJHMXYHI-GHMZBOCLSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1)N1C(=O)CCC1=O ZINC001026875657 668159129 /nfs/dbraw/zinc/15/91/29/668159129.db2.gz KAWALISJHMXYHI-MNOVXSKESA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1)N1C(=O)CCC1=O ZINC001026875773 668159212 /nfs/dbraw/zinc/15/92/12/668159212.db2.gz KAWALISJHMXYHI-QWRGUYRKSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1)N1C(=O)CCC1=O ZINC001026875774 668159327 /nfs/dbraw/zinc/15/93/27/668159327.db2.gz KAWALISJHMXYHI-WDEREUQCSA-N 1 0 349.395 -1.314 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O ZINC001026876170 668159357 /nfs/dbraw/zinc/15/93/57/668159357.db2.gz XWUFQVGYCNTGTJ-GHMZBOCLSA-N 1 0 336.396 -1.475 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O ZINC001026876171 668159288 /nfs/dbraw/zinc/15/92/88/668159288.db2.gz XWUFQVGYCNTGTJ-MNOVXSKESA-N 1 0 336.396 -1.475 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O ZINC001026876172 668159079 /nfs/dbraw/zinc/15/90/79/668159079.db2.gz XWUFQVGYCNTGTJ-QWRGUYRKSA-N 1 0 336.396 -1.475 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O ZINC001026876173 668159165 /nfs/dbraw/zinc/15/91/65/668159165.db2.gz XWUFQVGYCNTGTJ-WDEREUQCSA-N 1 0 336.396 -1.475 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001026876806 668159136 /nfs/dbraw/zinc/15/91/36/668159136.db2.gz UPRHDAKYCHLPHX-NEPJUHHUSA-N 1 0 349.391 -2.126 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001026876807 668159307 /nfs/dbraw/zinc/15/93/07/668159307.db2.gz UPRHDAKYCHLPHX-NWDGAFQWSA-N 1 0 349.391 -2.126 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001026876808 668159344 /nfs/dbraw/zinc/15/93/44/668159344.db2.gz UPRHDAKYCHLPHX-RYUDHWBXSA-N 1 0 349.391 -2.126 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001026876809 668159346 /nfs/dbraw/zinc/15/93/46/668159346.db2.gz UPRHDAKYCHLPHX-VXGBXAGGSA-N 1 0 349.391 -2.126 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)c1=O ZINC001026876929 668159374 /nfs/dbraw/zinc/15/93/74/668159374.db2.gz WGLRYKIBBQZOLL-LLVKDONJSA-N 1 0 348.363 -1.432 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)c1=O ZINC001026876930 668159384 /nfs/dbraw/zinc/15/93/84/668159384.db2.gz WGLRYKIBBQZOLL-NSHDSACASA-N 1 0 348.363 -1.432 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)nc1=O ZINC001026881841 668159280 /nfs/dbraw/zinc/15/92/80/668159280.db2.gz BREWOUNLJPRILJ-GHMZBOCLSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)nc1=O ZINC001026881842 668159379 /nfs/dbraw/zinc/15/93/79/668159379.db2.gz BREWOUNLJPRILJ-MNOVXSKESA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)nc1=O ZINC001026881843 668159364 /nfs/dbraw/zinc/15/93/64/668159364.db2.gz BREWOUNLJPRILJ-QWRGUYRKSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)nc1=O ZINC001026881844 668159264 /nfs/dbraw/zinc/15/92/64/668159264.db2.gz BREWOUNLJPRILJ-WDEREUQCSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)nc1=O ZINC001026890306 668159333 /nfs/dbraw/zinc/15/93/33/668159333.db2.gz HVTXCDNCGZMZNV-JTQLQIEISA-N 1 0 347.379 -1.051 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)nc1=O ZINC001026890307 668159201 /nfs/dbraw/zinc/15/92/01/668159201.db2.gz HVTXCDNCGZMZNV-SNVBAGLBSA-N 1 0 347.379 -1.051 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026890535 668159273 /nfs/dbraw/zinc/15/92/73/668159273.db2.gz KETWQHMJFISNAQ-GFCCVEGCSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026890536 668159277 /nfs/dbraw/zinc/15/92/77/668159277.db2.gz KETWQHMJFISNAQ-LBPRGKRZSA-N 1 0 336.396 -1.388 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)[nH]1 ZINC001026890583 668159108 /nfs/dbraw/zinc/15/91/08/668159108.db2.gz LPZYUKMZDWQVCL-GFCCVEGCSA-N 1 0 336.396 -1.090 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)[nH]1 ZINC001026890584 668159221 /nfs/dbraw/zinc/15/92/21/668159221.db2.gz LPZYUKMZDWQVCL-LBPRGKRZSA-N 1 0 336.396 -1.090 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026891185 668159098 /nfs/dbraw/zinc/15/90/98/668159098.db2.gz NXSXGADBFFYOLX-GFCCVEGCSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026891186 668159368 /nfs/dbraw/zinc/15/93/68/668159368.db2.gz NXSXGADBFFYOLX-LBPRGKRZSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026891215 668159229 /nfs/dbraw/zinc/15/92/29/668159229.db2.gz OOBFPAOMODBHGZ-GFCCVEGCSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026891216 668159361 /nfs/dbraw/zinc/15/93/61/668159361.db2.gz OOBFPAOMODBHGZ-LBPRGKRZSA-N 1 0 336.396 -1.388 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)C1=O ZINC001026891260 668159186 /nfs/dbraw/zinc/15/91/86/668159186.db2.gz PSVUFXABZIFFRD-CHWSQXEVSA-N 1 0 338.408 -1.486 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)C1=O ZINC001026891261 668159304 /nfs/dbraw/zinc/15/93/04/668159304.db2.gz PSVUFXABZIFFRD-OLZOCXBDSA-N 1 0 338.408 -1.486 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)C1=O ZINC001026891262 668159198 /nfs/dbraw/zinc/15/91/98/668159198.db2.gz PSVUFXABZIFFRD-QWHCGFSZSA-N 1 0 338.408 -1.486 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)C1=O ZINC001026891263 668159071 /nfs/dbraw/zinc/15/90/71/668159071.db2.gz PSVUFXABZIFFRD-STQMWFEESA-N 1 0 338.408 -1.486 20 0 EAADRO O=C(CN1CCOCC1=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026891282 668159155 /nfs/dbraw/zinc/15/91/55/668159155.db2.gz QICHNVJXPNOSGW-CHWSQXEVSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001026891283 668159189 /nfs/dbraw/zinc/15/91/89/668159189.db2.gz QICHNVJXPNOSGW-OLZOCXBDSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026891284 668159159 /nfs/dbraw/zinc/15/91/59/668159159.db2.gz QICHNVJXPNOSGW-QWHCGFSZSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(CN1CCOCC1=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001026891285 668159394 /nfs/dbraw/zinc/15/93/94/668159394.db2.gz QICHNVJXPNOSGW-STQMWFEESA-N 1 0 338.408 -1.438 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)n1 ZINC001026891314 668159238 /nfs/dbraw/zinc/15/92/38/668159238.db2.gz RMIJYCUUIJJZIC-GFCCVEGCSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)n1 ZINC001026891315 668159388 /nfs/dbraw/zinc/15/93/88/668159388.db2.gz RMIJYCUUIJJZIC-LBPRGKRZSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)nn1 ZINC001026891379 668159801 /nfs/dbraw/zinc/15/98/01/668159801.db2.gz SMUGDIXNWHABRA-GFCCVEGCSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)nn1 ZINC001026891380 668159627 /nfs/dbraw/zinc/15/96/27/668159627.db2.gz SMUGDIXNWHABRA-LBPRGKRZSA-N 1 0 336.396 -1.388 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026891429 668159826 /nfs/dbraw/zinc/15/98/26/668159826.db2.gz UVLCNADNXKGVST-LLVKDONJSA-N 1 0 337.384 -1.993 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001026891430 668159725 /nfs/dbraw/zinc/15/97/25/668159725.db2.gz UVLCNADNXKGVST-NSHDSACASA-N 1 0 337.384 -1.993 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891621 668159878 /nfs/dbraw/zinc/15/98/78/668159878.db2.gz AEXJUIVEKUPRSI-UWVGGRQHSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891622 668159837 /nfs/dbraw/zinc/15/98/37/668159837.db2.gz AEXJUIVEKUPRSI-ZJUUUORDSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891659 668159850 /nfs/dbraw/zinc/15/98/50/668159850.db2.gz BEHWSFPZEFOCQM-KOLCDFICSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891660 668159966 /nfs/dbraw/zinc/15/99/66/668159966.db2.gz BEHWSFPZEFOCQM-ONGXEEELSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026891699 668159841 /nfs/dbraw/zinc/15/98/41/668159841.db2.gz CJUBPFIDHNAYPQ-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026891701 668159930 /nfs/dbraw/zinc/15/99/30/668159930.db2.gz CJUBPFIDHNAYPQ-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)cn1 ZINC001026891839 668159656 /nfs/dbraw/zinc/15/96/56/668159656.db2.gz DJGIYGPEKWMHOL-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)cn1 ZINC001026891840 668159962 /nfs/dbraw/zinc/15/99/62/668159962.db2.gz DJGIYGPEKWMHOL-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cc1n[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)Cc3[nH]c(O)nc3O)C2)n1 ZINC001026891847 668159786 /nfs/dbraw/zinc/15/97/86/668159786.db2.gz DLMZNYZGRXSDNZ-UWVGGRQHSA-N 1 0 335.368 -1.351 20 0 EAADRO Cc1n[nH]c(C[NH2+]C[C@H]2CCN(C(=O)Cc3[nH]c(O)nc3O)C2)n1 ZINC001026891848 668159903 /nfs/dbraw/zinc/15/99/03/668159903.db2.gz DLMZNYZGRXSDNZ-ZJUUUORDSA-N 1 0 335.368 -1.351 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891849 668159988 /nfs/dbraw/zinc/15/99/88/668159988.db2.gz DLXBCDPMLOOPJG-JQWIXIFHSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891850 668159921 /nfs/dbraw/zinc/15/99/21/668159921.db2.gz DLXBCDPMLOOPJG-PWSUYJOCSA-N 1 0 349.395 -1.166 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001026891863 668159844 /nfs/dbraw/zinc/15/98/44/668159844.db2.gz DYGSIWXXBNQXRI-KOLCDFICSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001026891864 668159639 /nfs/dbraw/zinc/15/96/39/668159639.db2.gz DYGSIWXXBNQXRI-ONGXEEELSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891877 668159774 /nfs/dbraw/zinc/15/97/74/668159774.db2.gz FIUBZGAAEIFGRL-MNOVXSKESA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026891878 668159947 /nfs/dbraw/zinc/15/99/47/668159947.db2.gz FIUBZGAAEIFGRL-QWRGUYRKSA-N 1 0 334.380 -1.044 20 0 EAADRO Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026892027 668159862 /nfs/dbraw/zinc/15/98/62/668159862.db2.gz GPHLHFSVMIPSRQ-UWVGGRQHSA-N 1 0 336.352 -1.086 20 0 EAADRO Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026892028 668159672 /nfs/dbraw/zinc/15/96/72/668159672.db2.gz GPHLHFSVMIPSRQ-ZJUUUORDSA-N 1 0 336.352 -1.086 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892069 668159991 /nfs/dbraw/zinc/15/99/91/668159991.db2.gz HZZKIINLKBYSNC-MNOVXSKESA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892070 668159940 /nfs/dbraw/zinc/15/99/40/668159940.db2.gz HZZKIINLKBYSNC-QWRGUYRKSA-N 1 0 349.395 -1.166 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892073 668159971 /nfs/dbraw/zinc/15/99/71/668159971.db2.gz IDQJDYWTHLNNAW-UWVGGRQHSA-N 1 0 336.352 -1.086 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892074 668159916 /nfs/dbraw/zinc/15/99/16/668159916.db2.gz IDQJDYWTHLNNAW-ZJUUUORDSA-N 1 0 336.352 -1.086 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892084 668159939 /nfs/dbraw/zinc/15/99/39/668159939.db2.gz INCJSLOGZFJYTQ-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892085 668159853 /nfs/dbraw/zinc/15/98/53/668159853.db2.gz INCJSLOGZFJYTQ-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892947 668159978 /nfs/dbraw/zinc/15/99/78/668159978.db2.gz PFHDGMSOFYSNJL-BDAKNGLRSA-N 1 0 336.356 -2.254 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026892948 668159811 /nfs/dbraw/zinc/15/98/11/668159811.db2.gz PFHDGMSOFYSNJL-IUCAKERBSA-N 1 0 336.356 -2.254 20 0 EAADRO CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001026893098 668159936 /nfs/dbraw/zinc/15/99/36/668159936.db2.gz QKZDAVSYPJSENP-JQWIXIFHSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001026893100 668159706 /nfs/dbraw/zinc/15/97/06/668159706.db2.gz QKZDAVSYPJSENP-PWSUYJOCSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026893147 668159780 /nfs/dbraw/zinc/15/97/80/668159780.db2.gz RJLLMIHNPSSFFN-JQWIXIFHSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1ncc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026893148 668159662 /nfs/dbraw/zinc/15/96/62/668159662.db2.gz RJLLMIHNPSSFFN-PWSUYJOCSA-N 1 0 349.395 -1.166 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026893161 668159934 /nfs/dbraw/zinc/15/99/34/668159934.db2.gz RRNAVNLMCYUKOM-KOLCDFICSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001026893162 668159856 /nfs/dbraw/zinc/15/98/56/668159856.db2.gz RRNAVNLMCYUKOM-ONGXEEELSA-N 1 0 335.368 -1.649 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001026893375 668159816 /nfs/dbraw/zinc/15/98/16/668159816.db2.gz YRWBWAGGEKLFHE-UWVGGRQHSA-N 1 0 336.352 -1.086 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001026893376 668159883 /nfs/dbraw/zinc/15/98/83/668159883.db2.gz YRWBWAGGEKLFHE-ZJUUUORDSA-N 1 0 336.352 -1.086 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026893377 668159888 /nfs/dbraw/zinc/15/98/88/668159888.db2.gz YSZBVNNDEVDNOA-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026893378 668159772 /nfs/dbraw/zinc/15/97/72/668159772.db2.gz YSZBVNNDEVDNOA-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026893413 668159797 /nfs/dbraw/zinc/15/97/97/668159797.db2.gz ZTQLHSLKDSNIAB-UWVGGRQHSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001026893414 668159928 /nfs/dbraw/zinc/15/99/28/668159928.db2.gz ZTQLHSLKDSNIAB-ZJUUUORDSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001026893928 668159807 /nfs/dbraw/zinc/15/98/07/668159807.db2.gz RAOBPFGGCRHSDD-JTQLQIEISA-N 1 0 332.368 -1.444 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001026893929 668159926 /nfs/dbraw/zinc/15/99/26/668159926.db2.gz RAOBPFGGCRHSDD-SNVBAGLBSA-N 1 0 332.368 -1.444 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)nc1=O ZINC001026894467 668159765 /nfs/dbraw/zinc/15/97/65/668159765.db2.gz GHQIRBWORXLWNB-JTQLQIEISA-N 1 0 347.379 -1.546 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)nc1=O ZINC001026894468 668159865 /nfs/dbraw/zinc/15/98/65/668159865.db2.gz GHQIRBWORXLWNB-SNVBAGLBSA-N 1 0 347.379 -1.546 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001026895112 668160315 /nfs/dbraw/zinc/16/03/15/668160315.db2.gz WWHUORAMXNLEPS-GVXVVHGQSA-N 1 0 339.396 -1.150 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001026895113 668160449 /nfs/dbraw/zinc/16/04/49/668160449.db2.gz WWHUORAMXNLEPS-LOWVWBTDSA-N 1 0 339.396 -1.150 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026895118 668160514 /nfs/dbraw/zinc/16/05/14/668160514.db2.gz WYGQRMGAYOOEFS-GHMZBOCLSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026895119 668160689 /nfs/dbraw/zinc/16/06/89/668160689.db2.gz WYGQRMGAYOOEFS-MNOVXSKESA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026895120 668160671 /nfs/dbraw/zinc/16/06/71/668160671.db2.gz WYGQRMGAYOOEFS-QWRGUYRKSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001026895121 668160560 /nfs/dbraw/zinc/16/05/60/668160560.db2.gz WYGQRMGAYOOEFS-WDEREUQCSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)nc1=O ZINC001026902893 668160385 /nfs/dbraw/zinc/16/03/85/668160385.db2.gz VCJAKPYKEAAFJB-GHMZBOCLSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)nc1=O ZINC001026902894 668160674 /nfs/dbraw/zinc/16/06/74/668160674.db2.gz VCJAKPYKEAAFJB-MNOVXSKESA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)nc1=O ZINC001026902895 668160564 /nfs/dbraw/zinc/16/05/64/668160564.db2.gz VCJAKPYKEAAFJB-QWRGUYRKSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)nc1=O ZINC001026902896 668160550 /nfs/dbraw/zinc/16/05/50/668160550.db2.gz VCJAKPYKEAAFJB-WDEREUQCSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)nc1=O ZINC001026903626 668160465 /nfs/dbraw/zinc/16/04/65/668160465.db2.gz LORZSRXBAUFBSZ-SECBINFHSA-N 1 0 333.352 -1.144 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)nc1=O ZINC001026903627 668160476 /nfs/dbraw/zinc/16/04/76/668160476.db2.gz LORZSRXBAUFBSZ-VIFPVBQESA-N 1 0 333.352 -1.144 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)nc1=O ZINC001026906982 668161095 /nfs/dbraw/zinc/16/10/95/668161095.db2.gz CRSFPVMXCDWQOE-GHMZBOCLSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)nc1=O ZINC001026906983 668160857 /nfs/dbraw/zinc/16/08/57/668160857.db2.gz CRSFPVMXCDWQOE-WDEREUQCSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)nc1=O ZINC001026909476 668160592 /nfs/dbraw/zinc/16/05/92/668160592.db2.gz VHDDHWNWBQPMMT-SECBINFHSA-N 1 0 333.352 -1.144 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)nc1=O ZINC001026909477 668160299 /nfs/dbraw/zinc/16/02/99/668160299.db2.gz VHDDHWNWBQPMMT-VIFPVBQESA-N 1 0 333.352 -1.144 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001026917218 668161195 /nfs/dbraw/zinc/16/11/95/668161195.db2.gz XHWVYZFKXIQCAK-FRRDWIJNSA-N 1 0 337.428 -1.133 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001026917219 668161261 /nfs/dbraw/zinc/16/12/61/668161261.db2.gz XHWVYZFKXIQCAK-JHJVBQTASA-N 1 0 337.428 -1.133 20 0 EAADRO C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001026923593 668162316 /nfs/dbraw/zinc/16/23/16/668162316.db2.gz HAXGDCPLDRFJFE-NXEZZACHSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001026923594 668162170 /nfs/dbraw/zinc/16/21/70/668162170.db2.gz HAXGDCPLDRFJFE-UWVGGRQHSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001026923595 668162034 /nfs/dbraw/zinc/16/20/34/668162034.db2.gz HAXGDCPLDRFJFE-VHSXEESVSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001026923596 668161960 /nfs/dbraw/zinc/16/19/60/668161960.db2.gz HAXGDCPLDRFJFE-ZJUUUORDSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)S(C)(=O)=O ZINC001026924266 668161271 /nfs/dbraw/zinc/16/12/71/668161271.db2.gz VIWKDCOXNZLXLL-NXEZZACHSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)S(C)(=O)=O ZINC001026924267 668161181 /nfs/dbraw/zinc/16/11/81/668161181.db2.gz VIWKDCOXNZLXLL-UWVGGRQHSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)S(C)(=O)=O ZINC001026924268 668161211 /nfs/dbraw/zinc/16/12/11/668161211.db2.gz VIWKDCOXNZLXLL-VHSXEESVSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)S(C)(=O)=O ZINC001026924269 668161109 /nfs/dbraw/zinc/16/11/09/668161109.db2.gz VIWKDCOXNZLXLL-ZJUUUORDSA-N 1 0 345.425 -1.520 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926688 668161220 /nfs/dbraw/zinc/16/12/20/668161220.db2.gz AVLFZVUGCIVNQR-LLVKDONJSA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926689 668161100 /nfs/dbraw/zinc/16/11/00/668161100.db2.gz AVLFZVUGCIVNQR-NSHDSACASA-N 1 0 334.384 -1.651 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nncn1C ZINC001026926710 668160996 /nfs/dbraw/zinc/16/09/96/668160996.db2.gz BOQJYRRBGKEHIQ-NEPJUHHUSA-N 1 0 348.411 -1.090 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nncn1C ZINC001026926711 668161167 /nfs/dbraw/zinc/16/11/67/668161167.db2.gz BOQJYRRBGKEHIQ-NWDGAFQWSA-N 1 0 348.411 -1.090 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nncn1C ZINC001026926712 668161080 /nfs/dbraw/zinc/16/10/80/668161080.db2.gz BOQJYRRBGKEHIQ-RYUDHWBXSA-N 1 0 348.411 -1.090 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nncn1C ZINC001026926713 668161172 /nfs/dbraw/zinc/16/11/72/668161172.db2.gz BOQJYRRBGKEHIQ-VXGBXAGGSA-N 1 0 348.411 -1.090 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926772 668161126 /nfs/dbraw/zinc/16/11/26/668161126.db2.gz CJXDNJVFBKXZMV-GFCCVEGCSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926773 668161280 /nfs/dbraw/zinc/16/12/80/668161280.db2.gz CJXDNJVFBKXZMV-LBPRGKRZSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)n1 ZINC001026926784 668161068 /nfs/dbraw/zinc/16/10/68/668161068.db2.gz CVAJSWBDMOEPFD-CYBMUJFWSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)n1 ZINC001026926785 668161086 /nfs/dbraw/zinc/16/10/86/668161086.db2.gz CVAJSWBDMOEPFD-ZDUSSCGKSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001026926854 668161065 /nfs/dbraw/zinc/16/10/65/668161065.db2.gz FANDULPWBMUAAR-GFCCVEGCSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001026926855 668161216 /nfs/dbraw/zinc/16/12/16/668161216.db2.gz FANDULPWBMUAAR-LBPRGKRZSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001026926884 668160878 /nfs/dbraw/zinc/16/08/78/668160878.db2.gz FVTSCZXFNQHZNN-LLVKDONJSA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001026926885 668161205 /nfs/dbraw/zinc/16/12/05/668161205.db2.gz FVTSCZXFNQHZNN-NSHDSACASA-N 1 0 334.384 -1.651 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926890 668161046 /nfs/dbraw/zinc/16/10/46/668161046.db2.gz FXMTYDXRGYHTEF-GFCCVEGCSA-N 1 0 348.411 -1.169 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926891 668160990 /nfs/dbraw/zinc/16/09/90/668160990.db2.gz FXMTYDXRGYHTEF-LBPRGKRZSA-N 1 0 348.411 -1.169 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926936 668161251 /nfs/dbraw/zinc/16/12/51/668161251.db2.gz GXUYKCYHQYAJGU-GFCCVEGCSA-N 1 0 348.411 -1.169 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026926937 668161208 /nfs/dbraw/zinc/16/12/08/668161208.db2.gz GXUYKCYHQYAJGU-LBPRGKRZSA-N 1 0 348.411 -1.169 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001026927080 668160958 /nfs/dbraw/zinc/16/09/58/668160958.db2.gz IGHIXGQPOYOHQR-JTQLQIEISA-N 1 0 342.425 -1.417 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001026927081 668161237 /nfs/dbraw/zinc/16/12/37/668161237.db2.gz IGHIXGQPOYOHQR-SNVBAGLBSA-N 1 0 342.425 -1.417 20 0 EAADRO CCn1ncc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001026927098 668160972 /nfs/dbraw/zinc/16/09/72/668160972.db2.gz IRQJMEHHATYMBW-GFCCVEGCSA-N 1 0 348.411 -1.169 20 0 EAADRO CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001026927099 668160843 /nfs/dbraw/zinc/16/08/43/668160843.db2.gz IRQJMEHHATYMBW-LBPRGKRZSA-N 1 0 348.411 -1.169 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1=O ZINC001026927281 668160966 /nfs/dbraw/zinc/16/09/66/668160966.db2.gz LDZKCMYGQGPFCS-CHWSQXEVSA-N 1 0 337.424 -1.913 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1=O ZINC001026927282 668161153 /nfs/dbraw/zinc/16/11/53/668161153.db2.gz LDZKCMYGQGPFCS-OLZOCXBDSA-N 1 0 337.424 -1.913 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1=O ZINC001026927283 668161610 /nfs/dbraw/zinc/16/16/10/668161610.db2.gz LDZKCMYGQGPFCS-QWHCGFSZSA-N 1 0 337.424 -1.913 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1=O ZINC001026927284 668161496 /nfs/dbraw/zinc/16/14/96/668161496.db2.gz LDZKCMYGQGPFCS-STQMWFEESA-N 1 0 337.424 -1.913 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nnnn1C ZINC001026927331 668161669 /nfs/dbraw/zinc/16/16/69/668161669.db2.gz MHTAHIBVUJNNFI-GHMZBOCLSA-N 1 0 349.399 -1.695 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nnnn1C ZINC001026927332 668161553 /nfs/dbraw/zinc/16/15/53/668161553.db2.gz MHTAHIBVUJNNFI-MNOVXSKESA-N 1 0 349.399 -1.695 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nnnn1C ZINC001026927333 668161762 /nfs/dbraw/zinc/16/17/62/668161762.db2.gz MHTAHIBVUJNNFI-QWRGUYRKSA-N 1 0 349.399 -1.695 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)c1nnnn1C ZINC001026927334 668161705 /nfs/dbraw/zinc/16/17/05/668161705.db2.gz MHTAHIBVUJNNFI-WDEREUQCSA-N 1 0 349.399 -1.695 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)CC1=O ZINC001026927401 668161560 /nfs/dbraw/zinc/16/15/60/668161560.db2.gz NWZWALPERCAFHX-GFCCVEGCSA-N 1 0 336.396 -1.218 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)CC1=O ZINC001026927402 668161590 /nfs/dbraw/zinc/16/15/90/668161590.db2.gz NWZWALPERCAFHX-LBPRGKRZSA-N 1 0 336.396 -1.218 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)o1 ZINC001026927403 668161693 /nfs/dbraw/zinc/16/16/93/668161693.db2.gz NXYNSTCRMJAANI-LLVKDONJSA-N 1 0 335.368 -1.088 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)o1 ZINC001026927404 668161645 /nfs/dbraw/zinc/16/16/45/668161645.db2.gz NXYNSTCRMJAANI-NSHDSACASA-N 1 0 335.368 -1.088 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)[nH]1 ZINC001026927411 668161577 /nfs/dbraw/zinc/16/15/77/668161577.db2.gz ODZWYRXUILSTQL-CYBMUJFWSA-N 1 0 349.439 -1.175 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)[nH]1 ZINC001026927412 668161663 /nfs/dbraw/zinc/16/16/63/668161663.db2.gz ODZWYRXUILSTQL-ZDUSSCGKSA-N 1 0 349.439 -1.175 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+]Cc3ncnn3C)C2)c1=O ZINC001026927427 668161636 /nfs/dbraw/zinc/16/16/36/668161636.db2.gz OFRUWALBHXDSFS-LLVKDONJSA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3C)C2)c1=O ZINC001026927428 668161737 /nfs/dbraw/zinc/16/17/37/668161737.db2.gz OFRUWALBHXDSFS-NSHDSACASA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001026927441 668161658 /nfs/dbraw/zinc/16/16/58/668161658.db2.gz OMPJAWRYFOIKAQ-GFCCVEGCSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001026927442 668161757 /nfs/dbraw/zinc/16/17/57/668161757.db2.gz OMPJAWRYFOIKAQ-LBPRGKRZSA-N 1 0 333.396 -1.046 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026927479 668161629 /nfs/dbraw/zinc/16/16/29/668161629.db2.gz PHXKZLOUEPROBX-CMPLNLGQSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026927480 668161679 /nfs/dbraw/zinc/16/16/79/668161679.db2.gz PHXKZLOUEPROBX-JQWIXIFHSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026927481 668161528 /nfs/dbraw/zinc/16/15/28/668161528.db2.gz PHXKZLOUEPROBX-PWSUYJOCSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026927482 668161751 /nfs/dbraw/zinc/16/17/51/668161751.db2.gz PHXKZLOUEPROBX-ZYHUDNBSSA-N 1 0 329.422 -1.252 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026927545 668161718 /nfs/dbraw/zinc/16/17/18/668161718.db2.gz QQYZEEAPTMYWPG-LLVKDONJSA-N 1 0 335.368 -1.088 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026927546 668161617 /nfs/dbraw/zinc/16/16/17/668161617.db2.gz QQYZEEAPTMYWPG-NSHDSACASA-N 1 0 335.368 -1.088 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001026927555 668161622 /nfs/dbraw/zinc/16/16/22/668161622.db2.gz QWKZIDICLYFHMR-NEPJUHHUSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001026927556 668161746 /nfs/dbraw/zinc/16/17/46/668161746.db2.gz QWKZIDICLYFHMR-NWDGAFQWSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001026927557 668161632 /nfs/dbraw/zinc/16/16/32/668161632.db2.gz QWKZIDICLYFHMR-RYUDHWBXSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001026927558 668161774 /nfs/dbraw/zinc/16/17/74/668161774.db2.gz QWKZIDICLYFHMR-VXGBXAGGSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)nn1 ZINC001026927559 668161734 /nfs/dbraw/zinc/16/17/34/668161734.db2.gz RAZYIXWLURSVLM-CYBMUJFWSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)nn1 ZINC001026927560 668161536 /nfs/dbraw/zinc/16/15/36/668161536.db2.gz RAZYIXWLURSVLM-ZDUSSCGKSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)c1=O ZINC001026927603 668161612 /nfs/dbraw/zinc/16/16/12/668161612.db2.gz RSRWJUUPRZUSGE-JTQLQIEISA-N 1 0 335.372 -2.256 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)c1=O ZINC001026927604 668161688 /nfs/dbraw/zinc/16/16/88/668161688.db2.gz RSRWJUUPRZUSGE-SNVBAGLBSA-N 1 0 335.372 -2.256 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)[nH]1 ZINC001026927625 668161743 /nfs/dbraw/zinc/16/17/43/668161743.db2.gz SGBMGHZCUHWTEN-LLVKDONJSA-N 1 0 334.384 -1.353 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)[nH]1 ZINC001026927626 668161674 /nfs/dbraw/zinc/16/16/74/668161674.db2.gz SGBMGHZCUHWTEN-NSHDSACASA-N 1 0 334.384 -1.353 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)c1=O ZINC001026927629 668161730 /nfs/dbraw/zinc/16/17/30/668161730.db2.gz SGWKOOUDXSAPJU-LLVKDONJSA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)c1=O ZINC001026927630 668161521 /nfs/dbraw/zinc/16/15/21/668161521.db2.gz SGWKOOUDXSAPJU-NSHDSACASA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026927657 668161711 /nfs/dbraw/zinc/16/17/11/668161711.db2.gz SPIGIKRXWQMHLJ-GFCCVEGCSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001026927658 668161713 /nfs/dbraw/zinc/16/17/13/668161713.db2.gz SPIGIKRXWQMHLJ-LBPRGKRZSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001026927685 668161624 /nfs/dbraw/zinc/16/16/24/668161624.db2.gz TXAPFXDJWQIJLE-CYBMUJFWSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001026927686 668161509 /nfs/dbraw/zinc/16/15/09/668161509.db2.gz TXAPFXDJWQIJLE-ZDUSSCGKSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001026927701 668161569 /nfs/dbraw/zinc/16/15/69/668161569.db2.gz UGSYBHLDKNWCKK-CYBMUJFWSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001026927702 668161723 /nfs/dbraw/zinc/16/17/23/668161723.db2.gz UGSYBHLDKNWCKK-ZDUSSCGKSA-N 1 0 349.439 -1.473 20 0 EAADRO Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001026927753 668161770 /nfs/dbraw/zinc/16/17/70/668161770.db2.gz VBFCSVKXDXGOJT-LLVKDONJSA-N 1 0 335.368 -1.088 20 0 EAADRO Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001026927754 668161652 /nfs/dbraw/zinc/16/16/52/668161652.db2.gz VBFCSVKXDXGOJT-NSHDSACASA-N 1 0 335.368 -1.088 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001026927849 668161642 /nfs/dbraw/zinc/16/16/42/668161642.db2.gz XGBHYAYOHHCZCM-CYBMUJFWSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001026927850 668161702 /nfs/dbraw/zinc/16/17/02/668161702.db2.gz XGBHYAYOHHCZCM-ZDUSSCGKSA-N 1 0 349.439 -1.473 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001026927879 668161741 /nfs/dbraw/zinc/16/17/41/668161741.db2.gz XOEYOSAWRRGWCS-LLVKDONJSA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001026927880 668161584 /nfs/dbraw/zinc/16/15/84/668161584.db2.gz XOEYOSAWRRGWCS-NSHDSACASA-N 1 0 334.384 -1.651 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+]Cc3ccnn3C)C2)c1=O ZINC001026927927 668161714 /nfs/dbraw/zinc/16/17/14/668161714.db2.gz YJVXKQOLWFXNII-GFCCVEGCSA-N 1 0 333.396 -1.046 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccnn3C)C2)c1=O ZINC001026927928 668161699 /nfs/dbraw/zinc/16/16/99/668161699.db2.gz YJVXKQOLWFXNII-LBPRGKRZSA-N 1 0 333.396 -1.046 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@H](CNCc2nnn(C)n2)C1 ZINC001026930403 668162545 /nfs/dbraw/zinc/16/25/45/668162545.db2.gz OTHCHXRPOYNQCI-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@H](CNCc2nnn(C)n2)C1 ZINC001026930407 668162738 /nfs/dbraw/zinc/16/27/38/668162738.db2.gz OTHCHXRPOYNQCI-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](CNCc2nnn(C)n2)C1 ZINC001026930409 668162860 /nfs/dbraw/zinc/16/28/60/668162860.db2.gz OTHCHXRPOYNQCI-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@@H](CNCc2nnn(C)n2)C1 ZINC001026930411 668162526 /nfs/dbraw/zinc/16/25/26/668162526.db2.gz OTHCHXRPOYNQCI-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026930769 668162185 /nfs/dbraw/zinc/16/21/85/668162185.db2.gz SXOVCESAJXRJCF-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026930770 668162020 /nfs/dbraw/zinc/16/20/20/668162020.db2.gz SXOVCESAJXRJCF-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026930771 668162276 /nfs/dbraw/zinc/16/22/76/668162276.db2.gz SXOVCESAJXRJCF-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026930772 668162119 /nfs/dbraw/zinc/16/21/19/668162119.db2.gz SXOVCESAJXRJCF-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001026930815 668162293 /nfs/dbraw/zinc/16/22/93/668162293.db2.gz UPRJTLGPOLTVCK-GFCCVEGCSA-N 1 0 348.411 -1.169 20 0 EAADRO CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001026930816 668162264 /nfs/dbraw/zinc/16/22/64/668162264.db2.gz UPRJTLGPOLTVCK-LBPRGKRZSA-N 1 0 348.411 -1.169 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)c1=O ZINC001026931080 668162041 /nfs/dbraw/zinc/16/20/41/668162041.db2.gz ZBUANIWUSAGHES-NEPJUHHUSA-N 1 0 336.396 -1.749 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)c1=O ZINC001026931081 668162306 /nfs/dbraw/zinc/16/23/06/668162306.db2.gz ZBUANIWUSAGHES-NWDGAFQWSA-N 1 0 336.396 -1.749 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)c1=O ZINC001026931082 668162088 /nfs/dbraw/zinc/16/20/88/668162088.db2.gz ZBUANIWUSAGHES-RYUDHWBXSA-N 1 0 336.396 -1.749 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)c1=O ZINC001026931083 668162261 /nfs/dbraw/zinc/16/22/61/668162261.db2.gz ZBUANIWUSAGHES-VXGBXAGGSA-N 1 0 336.396 -1.749 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O ZINC001026933160 668162067 /nfs/dbraw/zinc/16/20/67/668162067.db2.gz HIWQEUNXWGETOC-GHMZBOCLSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)nc1=O ZINC001026933161 668162236 /nfs/dbraw/zinc/16/22/36/668162236.db2.gz HIWQEUNXWGETOC-MNOVXSKESA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)nc1=O ZINC001026933162 668162110 /nfs/dbraw/zinc/16/21/10/668162110.db2.gz HIWQEUNXWGETOC-QWRGUYRKSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O ZINC001026933163 668162830 /nfs/dbraw/zinc/16/28/30/668162830.db2.gz HIWQEUNXWGETOC-WDEREUQCSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001026939037 668163383 /nfs/dbraw/zinc/16/33/83/668163383.db2.gz VUFMMYHVOLZJSY-LLVKDONJSA-N 1 0 336.400 -1.437 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001026939038 668163274 /nfs/dbraw/zinc/16/32/74/668163274.db2.gz VUFMMYHVOLZJSY-NSHDSACASA-N 1 0 336.400 -1.437 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026940821 668163187 /nfs/dbraw/zinc/16/31/87/668163187.db2.gz SBWSDSOWEWCTHK-JTQLQIEISA-N 1 0 346.395 -1.101 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026940822 668163146 /nfs/dbraw/zinc/16/31/46/668163146.db2.gz SBWSDSOWEWCTHK-SNVBAGLBSA-N 1 0 346.395 -1.101 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026943125 668163698 /nfs/dbraw/zinc/16/36/98/668163698.db2.gz BXCNAMSILAQAFK-GHMZBOCLSA-N 1 0 335.364 -1.725 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026943126 668163869 /nfs/dbraw/zinc/16/38/69/668163869.db2.gz BXCNAMSILAQAFK-MNOVXSKESA-N 1 0 335.364 -1.725 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026943127 668163915 /nfs/dbraw/zinc/16/39/15/668163915.db2.gz BXCNAMSILAQAFK-QWRGUYRKSA-N 1 0 335.364 -1.725 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026943128 668163791 /nfs/dbraw/zinc/16/37/91/668163791.db2.gz BXCNAMSILAQAFK-WDEREUQCSA-N 1 0 335.364 -1.725 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001026943171 668163754 /nfs/dbraw/zinc/16/37/54/668163754.db2.gz CYNJTLDLJQOJRS-NEPJUHHUSA-N 1 0 349.391 -1.334 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026943172 668163871 /nfs/dbraw/zinc/16/38/71/668163871.db2.gz CYNJTLDLJQOJRS-NWDGAFQWSA-N 1 0 349.391 -1.334 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001026943173 668163904 /nfs/dbraw/zinc/16/39/04/668163904.db2.gz CYNJTLDLJQOJRS-RYUDHWBXSA-N 1 0 349.391 -1.334 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026943174 668163911 /nfs/dbraw/zinc/16/39/11/668163911.db2.gz CYNJTLDLJQOJRS-VXGBXAGGSA-N 1 0 349.391 -1.334 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943191 668163974 /nfs/dbraw/zinc/16/39/74/668163974.db2.gz DJKOQJOSSRXYSS-LLVKDONJSA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943192 668164006 /nfs/dbraw/zinc/16/40/06/668164006.db2.gz DJKOQJOSSRXYSS-NSHDSACASA-N 1 0 347.379 -1.284 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001026943231 668163770 /nfs/dbraw/zinc/16/37/70/668163770.db2.gz FOANTHMLDLTXQO-JTQLQIEISA-N 1 0 334.336 -1.030 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001026943232 668163818 /nfs/dbraw/zinc/16/38/18/668163818.db2.gz FOANTHMLDLTXQO-SNVBAGLBSA-N 1 0 334.336 -1.030 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943265 668163930 /nfs/dbraw/zinc/16/39/30/668163930.db2.gz GNLNGWJVDRHBNL-JTQLQIEISA-N 1 0 348.367 -1.889 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943266 668163987 /nfs/dbraw/zinc/16/39/87/668163987.db2.gz GNLNGWJVDRHBNL-SNVBAGLBSA-N 1 0 348.367 -1.889 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1=O ZINC001026943301 668163949 /nfs/dbraw/zinc/16/39/49/668163949.db2.gz HHJGLGOIKSGMIH-NEPJUHHUSA-N 1 0 349.391 -1.382 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1=O ZINC001026943302 668163835 /nfs/dbraw/zinc/16/38/35/668163835.db2.gz HHJGLGOIKSGMIH-NWDGAFQWSA-N 1 0 349.391 -1.382 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1=O ZINC001026943303 668163875 /nfs/dbraw/zinc/16/38/75/668163875.db2.gz HHJGLGOIKSGMIH-RYUDHWBXSA-N 1 0 349.391 -1.382 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1=O ZINC001026943304 668163735 /nfs/dbraw/zinc/16/37/35/668163735.db2.gz HHJGLGOIKSGMIH-VXGBXAGGSA-N 1 0 349.391 -1.382 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943337 668163828 /nfs/dbraw/zinc/16/38/28/668163828.db2.gz IBQCVGRYDNPEET-LLVKDONJSA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943338 668163748 /nfs/dbraw/zinc/16/37/48/668163748.db2.gz IBQCVGRYDNPEET-NSHDSACASA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)n1 ZINC001026943513 668163944 /nfs/dbraw/zinc/16/39/44/668163944.db2.gz LRARNLBONYEUTE-LLVKDONJSA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)n1 ZINC001026943514 668163958 /nfs/dbraw/zinc/16/39/58/668163958.db2.gz LRARNLBONYEUTE-NSHDSACASA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943829 668164034 /nfs/dbraw/zinc/16/40/34/668164034.db2.gz WHCOKRJWXVNWTE-LLVKDONJSA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001026943830 668163857 /nfs/dbraw/zinc/16/38/57/668163857.db2.gz WHCOKRJWXVNWTE-NSHDSACASA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)nn1 ZINC001026943951 668164016 /nfs/dbraw/zinc/16/40/16/668164016.db2.gz ZDMHVRZHFBIOMN-LLVKDONJSA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)nn1 ZINC001026943952 668163921 /nfs/dbraw/zinc/16/39/21/668163921.db2.gz ZDMHVRZHFBIOMN-NSHDSACASA-N 1 0 347.379 -1.284 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001026945357 668163760 /nfs/dbraw/zinc/16/37/60/668163760.db2.gz IKGXJKAPCMOCQC-LLVKDONJSA-N 1 0 349.395 -1.313 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001026945358 668163898 /nfs/dbraw/zinc/16/38/98/668163898.db2.gz IKGXJKAPCMOCQC-NSHDSACASA-N 1 0 349.395 -1.313 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001026945611 668163739 /nfs/dbraw/zinc/16/37/39/668163739.db2.gz PKEQJCODNSRYBS-GHMZBOCLSA-N 1 0 342.425 -1.417 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001026945612 668163991 /nfs/dbraw/zinc/16/39/91/668163991.db2.gz PKEQJCODNSRYBS-MNOVXSKESA-N 1 0 342.425 -1.417 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001026945613 668163838 /nfs/dbraw/zinc/16/38/38/668163838.db2.gz PKEQJCODNSRYBS-QWRGUYRKSA-N 1 0 342.425 -1.417 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001026945614 668163969 /nfs/dbraw/zinc/16/39/69/668163969.db2.gz PKEQJCODNSRYBS-WDEREUQCSA-N 1 0 342.425 -1.417 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026945871 668164643 /nfs/dbraw/zinc/16/46/43/668164643.db2.gz UYPZYNKUBHPPHS-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026945872 668164758 /nfs/dbraw/zinc/16/47/58/668164758.db2.gz UYPZYNKUBHPPHS-NWDGAFQWSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026945873 668164640 /nfs/dbraw/zinc/16/46/40/668164640.db2.gz UYPZYNKUBHPPHS-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026945874 668164353 /nfs/dbraw/zinc/16/43/53/668164353.db2.gz UYPZYNKUBHPPHS-VXGBXAGGSA-N 1 0 336.392 -1.148 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001026954567 668165316 /nfs/dbraw/zinc/16/53/16/668165316.db2.gz JXMTZCVBSVLGKW-JTQLQIEISA-N 1 0 342.367 -1.100 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001026954568 668165205 /nfs/dbraw/zinc/16/52/05/668165205.db2.gz JXMTZCVBSVLGKW-SNVBAGLBSA-N 1 0 342.367 -1.100 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)nc1=O ZINC001026963009 668166020 /nfs/dbraw/zinc/16/60/20/668166020.db2.gz ACTFFUCSDOMXKR-JTQLQIEISA-N 1 0 347.379 -1.546 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)nc1=O ZINC001026963010 668166038 /nfs/dbraw/zinc/16/60/38/668166038.db2.gz ACTFFUCSDOMXKR-SNVBAGLBSA-N 1 0 347.379 -1.546 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001026963179 668165846 /nfs/dbraw/zinc/16/58/46/668165846.db2.gz FVGLRPSEXMAJIA-GHMZBOCLSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001026963180 668165848 /nfs/dbraw/zinc/16/58/48/668165848.db2.gz FVGLRPSEXMAJIA-MNOVXSKESA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001026963181 668165813 /nfs/dbraw/zinc/16/58/13/668165813.db2.gz FVGLRPSEXMAJIA-QWRGUYRKSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001026963182 668165981 /nfs/dbraw/zinc/16/59/81/668165981.db2.gz FVGLRPSEXMAJIA-WDEREUQCSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001026963517 668165916 /nfs/dbraw/zinc/16/59/16/668165916.db2.gz OMHCAOBZVSODGR-JTQLQIEISA-N 1 0 332.368 -1.444 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001026963518 668165755 /nfs/dbraw/zinc/16/57/55/668165755.db2.gz OMHCAOBZVSODGR-SNVBAGLBSA-N 1 0 332.368 -1.444 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026967883 668166745 /nfs/dbraw/zinc/16/67/45/668166745.db2.gz IILYWIDICZEDTA-NEPJUHHUSA-N 1 0 329.422 -1.252 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026967884 668167003 /nfs/dbraw/zinc/16/70/03/668167003.db2.gz IILYWIDICZEDTA-RYUDHWBXSA-N 1 0 329.422 -1.252 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001026967939 668166763 /nfs/dbraw/zinc/16/67/63/668166763.db2.gz JHEWCRLUDNJHDG-LLVKDONJSA-N 1 0 348.411 -1.099 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001026967940 668166920 /nfs/dbraw/zinc/16/69/20/668166920.db2.gz JHEWCRLUDNJHDG-NSHDSACASA-N 1 0 348.411 -1.099 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)nc1=O ZINC001026970597 668167308 /nfs/dbraw/zinc/16/73/08/668167308.db2.gz UCEUZXLFKMULPZ-BMIGLBTASA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)nc1=O ZINC001026970598 668167318 /nfs/dbraw/zinc/16/73/18/668167318.db2.gz UCEUZXLFKMULPZ-BONVTDFDSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)nc1=O ZINC001026970599 668167258 /nfs/dbraw/zinc/16/72/58/668167258.db2.gz UCEUZXLFKMULPZ-MEBBXXQBSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)nc1=O ZINC001026970600 668167341 /nfs/dbraw/zinc/16/73/41/668167341.db2.gz UCEUZXLFKMULPZ-ZUZCIYMTSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)c1=O ZINC001026970869 668166748 /nfs/dbraw/zinc/16/67/48/668166748.db2.gz AMZZGCRWCFOZMF-LLVKDONJSA-N 1 0 349.399 -1.866 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)c1=O ZINC001026970870 668166814 /nfs/dbraw/zinc/16/68/14/668166814.db2.gz AMZZGCRWCFOZMF-NSHDSACASA-N 1 0 349.399 -1.866 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C2)nn1 ZINC001026971089 668166824 /nfs/dbraw/zinc/16/68/24/668166824.db2.gz FDTCENVBTXFXKS-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C2)nn1 ZINC001026971090 668167291 /nfs/dbraw/zinc/16/72/91/668167291.db2.gz FDTCENVBTXFXKS-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)c1=O ZINC001026971171 668167446 /nfs/dbraw/zinc/16/74/46/668167446.db2.gz GINYILAMRKDERP-LLVKDONJSA-N 1 0 335.368 -1.007 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)c1=O ZINC001026971172 668167181 /nfs/dbraw/zinc/16/71/81/668167181.db2.gz GINYILAMRKDERP-NSHDSACASA-N 1 0 335.368 -1.007 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H](C[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001026971483 668167406 /nfs/dbraw/zinc/16/74/06/668167406.db2.gz MUJLAYWTDXFHOP-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H](C[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001026971484 668167572 /nfs/dbraw/zinc/16/75/72/668167572.db2.gz MUJLAYWTDXFHOP-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001026971587 668167520 /nfs/dbraw/zinc/16/75/20/668167520.db2.gz OTBOZPLJHIFLHR-NEPJUHHUSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001026971588 668167331 /nfs/dbraw/zinc/16/73/31/668167331.db2.gz OTBOZPLJHIFLHR-NWDGAFQWSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001026971589 668167391 /nfs/dbraw/zinc/16/73/91/668167391.db2.gz OTBOZPLJHIFLHR-RYUDHWBXSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001026971590 668167426 /nfs/dbraw/zinc/16/74/26/668167426.db2.gz OTBOZPLJHIFLHR-VXGBXAGGSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)c1=O ZINC001026971727 668167336 /nfs/dbraw/zinc/16/73/36/668167336.db2.gz RTRGKORPNALXMW-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)c1=O ZINC001026971728 668167495 /nfs/dbraw/zinc/16/74/95/668167495.db2.gz RTRGKORPNALXMW-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H](C[NH2+]Cc3ncnn3C)C2)c1=O ZINC001026971745 668167456 /nfs/dbraw/zinc/16/74/56/668167456.db2.gz SCNBUQYXIDTSKX-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3C)C2)c1=O ZINC001026971746 668167414 /nfs/dbraw/zinc/16/74/14/668167414.db2.gz SCNBUQYXIDTSKX-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001026971753 668167188 /nfs/dbraw/zinc/16/71/88/668167188.db2.gz SEBRHFICPGTEIO-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001026971754 668167275 /nfs/dbraw/zinc/16/72/75/668167275.db2.gz SEBRHFICPGTEIO-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001026985795 668168080 /nfs/dbraw/zinc/16/80/80/668168080.db2.gz ANHJVIQOEIHOLD-GXSJLCMTSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001026985796 668168056 /nfs/dbraw/zinc/16/80/56/668168056.db2.gz ANHJVIQOEIHOLD-KOLCDFICSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001026985797 668168119 /nfs/dbraw/zinc/16/81/19/668168119.db2.gz ANHJVIQOEIHOLD-MWLCHTKSSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001026985798 668168068 /nfs/dbraw/zinc/16/80/68/668168068.db2.gz ANHJVIQOEIHOLD-ONGXEEELSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001026986339 668168142 /nfs/dbraw/zinc/16/81/42/668168142.db2.gz NOOHLSMDWQOFQD-CMPLNLGQSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001026986340 668167893 /nfs/dbraw/zinc/16/78/93/668167893.db2.gz NOOHLSMDWQOFQD-JQWIXIFHSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001026986341 668168053 /nfs/dbraw/zinc/16/80/53/668168053.db2.gz NOOHLSMDWQOFQD-PWSUYJOCSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001026986342 668167945 /nfs/dbraw/zinc/16/79/45/668167945.db2.gz NOOHLSMDWQOFQD-ZYHUDNBSSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001026986887 668168014 /nfs/dbraw/zinc/16/80/14/668168014.db2.gz ANFLVOIXXTWIJM-JTQLQIEISA-N 1 0 342.367 -1.100 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001026986888 668168686 /nfs/dbraw/zinc/16/86/86/668168686.db2.gz ANFLVOIXXTWIJM-SNVBAGLBSA-N 1 0 342.367 -1.100 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026988031 668168538 /nfs/dbraw/zinc/16/85/38/668168538.db2.gz WYPNOMZBEHBPAZ-NEPJUHHUSA-N 1 0 348.407 -1.118 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026988032 668168629 /nfs/dbraw/zinc/16/86/29/668168629.db2.gz WYPNOMZBEHBPAZ-NWDGAFQWSA-N 1 0 348.407 -1.118 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026988033 668168470 /nfs/dbraw/zinc/16/84/70/668168470.db2.gz WYPNOMZBEHBPAZ-RYUDHWBXSA-N 1 0 348.407 -1.118 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026988034 668168776 /nfs/dbraw/zinc/16/87/76/668168776.db2.gz WYPNOMZBEHBPAZ-VXGBXAGGSA-N 1 0 348.407 -1.118 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026988309 668168624 /nfs/dbraw/zinc/16/86/24/668168624.db2.gz CWWBGSVOGAVQNK-CHWSQXEVSA-N 1 0 337.424 -1.865 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001026988310 668168667 /nfs/dbraw/zinc/16/86/67/668168667.db2.gz CWWBGSVOGAVQNK-OLZOCXBDSA-N 1 0 337.424 -1.865 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001026988311 668168418 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C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)c1nncn1C ZINC001026988831 668168713 /nfs/dbraw/zinc/16/87/13/668168713.db2.gz QLOWXFCTGHFYTI-CHWSQXEVSA-N 1 0 349.439 -1.254 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)c1nncn1C ZINC001026988832 668168828 /nfs/dbraw/zinc/16/88/28/668168828.db2.gz QLOWXFCTGHFYTI-OLZOCXBDSA-N 1 0 349.439 -1.254 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)c1nncn1C ZINC001026988833 668168727 /nfs/dbraw/zinc/16/87/27/668168727.db2.gz QLOWXFCTGHFYTI-QWHCGFSZSA-N 1 0 349.439 -1.254 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)c1nncn1C ZINC001026988834 668168720 /nfs/dbraw/zinc/16/87/20/668168720.db2.gz QLOWXFCTGHFYTI-STQMWFEESA-N 1 0 349.439 -1.254 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001026988843 668168788 /nfs/dbraw/zinc/16/87/88/668168788.db2.gz QQCLVKVNLRJHFO-CYBMUJFWSA-N 1 0 334.424 -1.210 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001026988844 668168449 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Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026988944 668168763 /nfs/dbraw/zinc/16/87/63/668168763.db2.gz ULPFREDYCSKTRF-LBPRGKRZSA-N 1 0 335.412 -1.815 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026988947 668168517 /nfs/dbraw/zinc/16/85/17/668168517.db2.gz UMPKPMWSAPNTCE-CYBMUJFWSA-N 1 0 334.424 -1.210 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026988948 668168792 /nfs/dbraw/zinc/16/87/92/668168792.db2.gz UMPKPMWSAPNTCE-ZDUSSCGKSA-N 1 0 334.424 -1.210 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026988987 668168646 /nfs/dbraw/zinc/16/86/46/668168646.db2.gz VABDWFFCHYVRHN-GFCCVEGCSA-N 1 0 335.412 -1.815 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026988988 668168674 /nfs/dbraw/zinc/16/86/74/668168674.db2.gz VABDWFFCHYVRHN-LBPRGKRZSA-N 1 0 335.412 -1.815 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026989049 668169296 /nfs/dbraw/zinc/16/92/96/668169296.db2.gz 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ZINC001026989143 668169378 /nfs/dbraw/zinc/16/93/78/668169378.db2.gz YLNYMZDMKMMDBJ-GFCCVEGCSA-N 1 0 335.412 -1.815 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026989144 668169399 /nfs/dbraw/zinc/16/93/99/668169399.db2.gz YLNYMZDMKMMDBJ-LBPRGKRZSA-N 1 0 335.412 -1.815 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026989161 668169392 /nfs/dbraw/zinc/16/93/92/668169392.db2.gz YUGMKCMIRDCTKU-GFCCVEGCSA-N 1 0 336.396 -1.252 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001026989162 668169381 /nfs/dbraw/zinc/16/93/81/668169381.db2.gz YUGMKCMIRDCTKU-LBPRGKRZSA-N 1 0 336.396 -1.252 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)o1 ZINC001026989167 668169435 /nfs/dbraw/zinc/16/94/35/668169435.db2.gz YYUOAUYITQRQRP-GFCCVEGCSA-N 1 0 336.396 -1.252 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)o1 ZINC001026989168 668169267 /nfs/dbraw/zinc/16/92/67/668169267.db2.gz YYUOAUYITQRQRP-LBPRGKRZSA-N 1 0 336.396 -1.252 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)NC1=O ZINC001026989363 668169416 /nfs/dbraw/zinc/16/94/16/668169416.db2.gz DPQBPKTWUIIMDC-NXEZZACHSA-N 1 0 337.384 -1.930 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)NC1=O ZINC001026989364 668169179 /nfs/dbraw/zinc/16/91/79/668169179.db2.gz DPQBPKTWUIIMDC-UWVGGRQHSA-N 1 0 337.384 -1.930 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)NC1=O ZINC001026989365 668169420 /nfs/dbraw/zinc/16/94/20/668169420.db2.gz DPQBPKTWUIIMDC-VHSXEESVSA-N 1 0 337.384 -1.930 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)NC1=O ZINC001026989366 668169306 /nfs/dbraw/zinc/16/93/06/668169306.db2.gz DPQBPKTWUIIMDC-ZJUUUORDSA-N 1 0 337.384 -1.930 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)nc1=O ZINC001026990242 668167826 /nfs/dbraw/zinc/16/78/26/668167826.db2.gz NXMISNMWGCBTOX-SECBINFHSA-N 1 0 335.368 -1.201 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)nc1=O ZINC001026990245 668168154 /nfs/dbraw/zinc/16/81/54/668168154.db2.gz NXMISNMWGCBTOX-VIFPVBQESA-N 1 0 335.368 -1.201 20 0 EAADRO Cn1c(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001026990644 668167911 /nfs/dbraw/zinc/16/79/11/668167911.db2.gz SAZIWHTXUMBUKW-NXEZZACHSA-N 1 0 335.364 -1.017 20 0 EAADRO Cn1c(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001026990645 668168086 /nfs/dbraw/zinc/16/80/86/668168086.db2.gz SAZIWHTXUMBUKW-UWVGGRQHSA-N 1 0 335.364 -1.017 20 0 EAADRO Cn1c(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001026990646 668167866 /nfs/dbraw/zinc/16/78/66/668167866.db2.gz SAZIWHTXUMBUKW-VHSXEESVSA-N 1 0 335.364 -1.017 20 0 EAADRO Cn1c(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001026990647 668167915 /nfs/dbraw/zinc/16/79/15/668167915.db2.gz SAZIWHTXUMBUKW-ZJUUUORDSA-N 1 0 335.364 -1.017 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)NC1=O ZINC001026994289 668169280 /nfs/dbraw/zinc/16/92/80/668169280.db2.gz QINRFYPGZKIPHZ-CMPLNLGQSA-N 1 0 348.411 -1.030 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)NC1=O ZINC001026994290 668169431 /nfs/dbraw/zinc/16/94/31/668169431.db2.gz QINRFYPGZKIPHZ-JQWIXIFHSA-N 1 0 348.411 -1.030 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)NC1=O ZINC001026994291 668169361 /nfs/dbraw/zinc/16/93/61/668169361.db2.gz QINRFYPGZKIPHZ-PWSUYJOCSA-N 1 0 348.411 -1.030 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)NC1=O ZINC001026994292 668169407 /nfs/dbraw/zinc/16/94/07/668169407.db2.gz QINRFYPGZKIPHZ-ZYHUDNBSSA-N 1 0 348.411 -1.030 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001026999740 668169911 /nfs/dbraw/zinc/16/99/11/668169911.db2.gz ZTCQYUSBWKDKNG-MNOVXSKESA-N 1 0 336.396 -1.333 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001026999741 668170049 /nfs/dbraw/zinc/17/00/49/668170049.db2.gz ZTCQYUSBWKDKNG-QWRGUYRKSA-N 1 0 336.396 -1.333 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001027001050 668169859 /nfs/dbraw/zinc/16/98/59/668169859.db2.gz BTFQVFFFZKTRFL-JTQLQIEISA-N 1 0 334.388 -1.142 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001027001051 668169750 /nfs/dbraw/zinc/16/97/50/668169750.db2.gz BTFQVFFFZKTRFL-SNVBAGLBSA-N 1 0 334.388 -1.142 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC001027002020 668170056 /nfs/dbraw/zinc/17/00/56/668170056.db2.gz SPQHOSXDJILAJM-GHMZBOCLSA-N 1 0 342.425 -1.304 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC001027002021 668169722 /nfs/dbraw/zinc/16/97/22/668169722.db2.gz SPQHOSXDJILAJM-MNOVXSKESA-N 1 0 342.425 -1.304 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC001027002022 668170012 /nfs/dbraw/zinc/17/00/12/668170012.db2.gz SPQHOSXDJILAJM-QWRGUYRKSA-N 1 0 342.425 -1.304 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC001027002023 668169925 /nfs/dbraw/zinc/16/99/25/668169925.db2.gz SPQHOSXDJILAJM-WDEREUQCSA-N 1 0 342.425 -1.304 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnc4n3CCOC4)C2)n1 ZINC001027003245 668170029 /nfs/dbraw/zinc/17/00/29/668170029.db2.gz OZQUKIKLZKCPGX-JTQLQIEISA-N 1 0 347.383 -1.416 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)n1 ZINC001027003246 668170100 /nfs/dbraw/zinc/17/01/00/668170100.db2.gz OZQUKIKLZKCPGX-SNVBAGLBSA-N 1 0 347.383 -1.416 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)n1 ZINC001027003495 668169898 /nfs/dbraw/zinc/16/98/98/668169898.db2.gz TXKIRADWWVRWKV-SECBINFHSA-N 1 0 332.372 -1.217 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)n1 ZINC001027003496 668170096 /nfs/dbraw/zinc/17/00/96/668170096.db2.gz TXKIRADWWVRWKV-VIFPVBQESA-N 1 0 332.372 -1.217 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1=O ZINC001027005472 668169929 /nfs/dbraw/zinc/16/99/29/668169929.db2.gz SQNKUOUNKAUSQG-GHMZBOCLSA-N 1 0 336.396 -1.475 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1=O ZINC001027005473 668169887 /nfs/dbraw/zinc/16/98/87/668169887.db2.gz SQNKUOUNKAUSQG-MNOVXSKESA-N 1 0 336.396 -1.475 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1=O ZINC001027005474 668169937 /nfs/dbraw/zinc/16/99/37/668169937.db2.gz SQNKUOUNKAUSQG-QWRGUYRKSA-N 1 0 336.396 -1.475 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1=O ZINC001027005475 668170091 /nfs/dbraw/zinc/17/00/91/668170091.db2.gz SQNKUOUNKAUSQG-WDEREUQCSA-N 1 0 336.396 -1.475 20 0 EAADRO Cn1cc(OCC(=O)N2CC[C@H](CNCc3nnn(C)n3)C2)cn1 ZINC001027024009 668170723 /nfs/dbraw/zinc/17/07/23/668170723.db2.gz YLIVPTNHWGTNBV-LLVKDONJSA-N 1 0 334.384 -1.039 20 0 EAADRO Cn1cc(OCC(=O)N2CC[C@@H](CNCc3nnn(C)n3)C2)cn1 ZINC001027024010 668170401 /nfs/dbraw/zinc/17/04/01/668170401.db2.gz YLIVPTNHWGTNBV-NSHDSACASA-N 1 0 334.384 -1.039 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027026494 668170587 /nfs/dbraw/zinc/17/05/87/668170587.db2.gz WYRJFHDFIKWVKO-NXEZZACHSA-N 1 0 333.348 -1.373 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001027026495 668170612 /nfs/dbraw/zinc/17/06/12/668170612.db2.gz WYRJFHDFIKWVKO-UWVGGRQHSA-N 1 0 333.348 -1.373 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027026496 668170535 /nfs/dbraw/zinc/17/05/35/668170535.db2.gz WYRJFHDFIKWVKO-VHSXEESVSA-N 1 0 333.348 -1.373 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001027026497 668170563 /nfs/dbraw/zinc/17/05/63/668170563.db2.gz WYRJFHDFIKWVKO-ZJUUUORDSA-N 1 0 333.348 -1.373 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027029512 668171123 /nfs/dbraw/zinc/17/11/23/668171123.db2.gz DILIROOXRGXEME-MNOVXSKESA-N 1 0 336.400 -1.297 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027029513 668171169 /nfs/dbraw/zinc/17/11/69/668171169.db2.gz DILIROOXRGXEME-QWRGUYRKSA-N 1 0 336.400 -1.297 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027029514 668171013 /nfs/dbraw/zinc/17/10/13/668171013.db2.gz DILIROOXRGXEME-WDEREUQCSA-N 1 0 336.400 -1.297 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027029535 668171295 /nfs/dbraw/zinc/17/12/95/668171295.db2.gz DXARDTVVBNLESD-GHMZBOCLSA-N 1 0 349.395 -1.572 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027029536 668171306 /nfs/dbraw/zinc/17/13/06/668171306.db2.gz DXARDTVVBNLESD-MNOVXSKESA-N 1 0 349.395 -1.572 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027029537 668171348 /nfs/dbraw/zinc/17/13/48/668171348.db2.gz DXARDTVVBNLESD-QWRGUYRKSA-N 1 0 349.395 -1.572 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027029538 668171180 /nfs/dbraw/zinc/17/11/80/668171180.db2.gz DXARDTVVBNLESD-WDEREUQCSA-N 1 0 349.395 -1.572 20 0 EAADRO CC(C)n1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027029630 668171414 /nfs/dbraw/zinc/17/14/14/668171414.db2.gz FWFLYBLAZMKCDB-GHMZBOCLSA-N 1 0 336.400 -1.127 20 0 EAADRO CC(C)n1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027029631 668171045 /nfs/dbraw/zinc/17/10/45/668171045.db2.gz FWFLYBLAZMKCDB-MNOVXSKESA-N 1 0 336.400 -1.127 20 0 EAADRO CC(C)n1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027029632 668171340 /nfs/dbraw/zinc/17/13/40/668171340.db2.gz FWFLYBLAZMKCDB-QWRGUYRKSA-N 1 0 336.400 -1.127 20 0 EAADRO CC(C)n1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027029633 668171418 /nfs/dbraw/zinc/17/14/18/668171418.db2.gz FWFLYBLAZMKCDB-WDEREUQCSA-N 1 0 336.400 -1.127 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001027030605 668171252 /nfs/dbraw/zinc/17/12/52/668171252.db2.gz VDNLNCLVBXKPEO-GXSJLCMTSA-N 1 0 334.384 -1.373 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001027030606 668171021 /nfs/dbraw/zinc/17/10/21/668171021.db2.gz VDNLNCLVBXKPEO-KOLCDFICSA-N 1 0 334.384 -1.373 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001027030607 668171356 /nfs/dbraw/zinc/17/13/56/668171356.db2.gz VDNLNCLVBXKPEO-MWLCHTKSSA-N 1 0 334.384 -1.373 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001027030608 668171316 /nfs/dbraw/zinc/17/13/16/668171316.db2.gz VDNLNCLVBXKPEO-ONGXEEELSA-N 1 0 334.384 -1.373 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001027030716 668170975 /nfs/dbraw/zinc/17/09/75/668170975.db2.gz WBCQWVHHJKPTSB-GHMZBOCLSA-N 1 0 339.375 -1.133 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001027030717 668171280 /nfs/dbraw/zinc/17/12/80/668171280.db2.gz WBCQWVHHJKPTSB-MNOVXSKESA-N 1 0 339.375 -1.133 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001027030718 668171052 /nfs/dbraw/zinc/17/10/52/668171052.db2.gz WBCQWVHHJKPTSB-QWRGUYRKSA-N 1 0 339.375 -1.133 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001027030719 668171243 /nfs/dbraw/zinc/17/12/43/668171243.db2.gz WBCQWVHHJKPTSB-WDEREUQCSA-N 1 0 339.375 -1.133 20 0 EAADRO CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1C ZINC001027030854 668171330 /nfs/dbraw/zinc/17/13/30/668171330.db2.gz YDLOYZZPYGWLIP-GHMZBOCLSA-N 1 0 335.412 -1.003 20 0 EAADRO CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1C ZINC001027030855 668170951 /nfs/dbraw/zinc/17/09/51/668170951.db2.gz YDLOYZZPYGWLIP-MNOVXSKESA-N 1 0 335.412 -1.003 20 0 EAADRO CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1C ZINC001027030856 668171232 /nfs/dbraw/zinc/17/12/32/668171232.db2.gz YDLOYZZPYGWLIP-QWRGUYRKSA-N 1 0 335.412 -1.003 20 0 EAADRO CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1C ZINC001027030857 668171038 /nfs/dbraw/zinc/17/10/38/668171038.db2.gz YDLOYZZPYGWLIP-WDEREUQCSA-N 1 0 335.412 -1.003 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001027032667 668171033 /nfs/dbraw/zinc/17/10/33/668171033.db2.gz BGSZSRSPXOYEJY-NEPJUHHUSA-N 1 0 348.407 -1.243 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001027032668 668171058 /nfs/dbraw/zinc/17/10/58/668171058.db2.gz BGSZSRSPXOYEJY-NWDGAFQWSA-N 1 0 348.407 -1.243 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001027032669 668171118 /nfs/dbraw/zinc/17/11/18/668171118.db2.gz BGSZSRSPXOYEJY-RYUDHWBXSA-N 1 0 348.407 -1.243 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001027032670 668170946 /nfs/dbraw/zinc/17/09/46/668170946.db2.gz BGSZSRSPXOYEJY-VXGBXAGGSA-N 1 0 348.407 -1.243 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001027032823 668170986 /nfs/dbraw/zinc/17/09/86/668170986.db2.gz COJRYCAQQJKWDF-JTQLQIEISA-N 1 0 337.384 -1.552 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001027032824 668171147 /nfs/dbraw/zinc/17/11/47/668171147.db2.gz COJRYCAQQJKWDF-SNVBAGLBSA-N 1 0 337.384 -1.552 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1)[nH]c2=O ZINC001027032906 668171391 /nfs/dbraw/zinc/17/13/91/668171391.db2.gz DBBIRTGKZQQZRA-MRVPVSSYSA-N 1 0 333.352 -1.508 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1)[nH]c2=O ZINC001027032907 668171412 /nfs/dbraw/zinc/17/14/12/668171412.db2.gz DBBIRTGKZQQZRA-QMMMGPOBSA-N 1 0 333.352 -1.508 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033032 668171275 /nfs/dbraw/zinc/17/12/75/668171275.db2.gz FGGIVLPUARCOEB-CMPLNLGQSA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033035 668171396 /nfs/dbraw/zinc/17/13/96/668171396.db2.gz FGGIVLPUARCOEB-JQWIXIFHSA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033037 668171078 /nfs/dbraw/zinc/17/10/78/668171078.db2.gz FGGIVLPUARCOEB-PWSUYJOCSA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033039 668170998 /nfs/dbraw/zinc/17/09/98/668170998.db2.gz FGGIVLPUARCOEB-ZYHUDNBSSA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033444 668171871 /nfs/dbraw/zinc/17/18/71/668171871.db2.gz HQVLNYHXRXEKSG-AAEUAGOBSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033445 668171729 /nfs/dbraw/zinc/17/17/29/668171729.db2.gz HQVLNYHXRXEKSG-DGCLKSJQSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033446 668171770 /nfs/dbraw/zinc/17/17/70/668171770.db2.gz HQVLNYHXRXEKSG-WCQYABFASA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001027033447 668171910 /nfs/dbraw/zinc/17/19/10/668171910.db2.gz HQVLNYHXRXEKSG-YPMHNXCESA-N 1 0 348.407 -1.161 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001027033709 668171721 /nfs/dbraw/zinc/17/17/21/668171721.db2.gz MHLXGBRVCOSUTC-SSDOTTSWSA-N 1 0 335.290 -1.341 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001027033710 668171714 /nfs/dbraw/zinc/17/17/14/668171714.db2.gz MHLXGBRVCOSUTC-ZETCQYMHSA-N 1 0 335.290 -1.341 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](C[NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001027033881 668171844 /nfs/dbraw/zinc/17/18/44/668171844.db2.gz QHMJMJVIPLSZMQ-SECBINFHSA-N 1 0 331.336 -1.050 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](C[NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001027033882 668171965 /nfs/dbraw/zinc/17/19/65/668171965.db2.gz QHMJMJVIPLSZMQ-VIFPVBQESA-N 1 0 331.336 -1.050 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001027033935 668171672 /nfs/dbraw/zinc/17/16/72/668171672.db2.gz ROBDEKCILHEWHV-GHMZBOCLSA-N 1 0 332.426 -1.809 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001027033936 668171693 /nfs/dbraw/zinc/17/16/93/668171693.db2.gz ROBDEKCILHEWHV-MNOVXSKESA-N 1 0 332.426 -1.809 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001027033937 668171705 /nfs/dbraw/zinc/17/17/05/668171705.db2.gz ROBDEKCILHEWHV-QWRGUYRKSA-N 1 0 332.426 -1.809 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001027033938 668171854 /nfs/dbraw/zinc/17/18/54/668171854.db2.gz ROBDEKCILHEWHV-WDEREUQCSA-N 1 0 332.426 -1.809 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001027034213 668171834 /nfs/dbraw/zinc/17/18/34/668171834.db2.gz YDAYVXFSDWHQRV-NEPJUHHUSA-N 1 0 336.396 -1.262 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001027034214 668171940 /nfs/dbraw/zinc/17/19/40/668171940.db2.gz YDAYVXFSDWHQRV-NWDGAFQWSA-N 1 0 336.396 -1.262 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001027034215 668171857 /nfs/dbraw/zinc/17/18/57/668171857.db2.gz YDAYVXFSDWHQRV-RYUDHWBXSA-N 1 0 336.396 -1.262 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001027034216 668171895 /nfs/dbraw/zinc/17/18/95/668171895.db2.gz YDAYVXFSDWHQRV-VXGBXAGGSA-N 1 0 336.396 -1.262 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034265 668171781 /nfs/dbraw/zinc/17/17/81/668171781.db2.gz ZDFDVDNRNZLCLR-GHMZBOCLSA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034266 668171765 /nfs/dbraw/zinc/17/17/65/668171765.db2.gz ZDFDVDNRNZLCLR-MNOVXSKESA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034267 668171963 /nfs/dbraw/zinc/17/19/63/668171963.db2.gz ZDFDVDNRNZLCLR-QWRGUYRKSA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034268 668171755 /nfs/dbraw/zinc/17/17/55/668171755.db2.gz ZDFDVDNRNZLCLR-WDEREUQCSA-N 1 0 334.380 -1.551 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034277 668171814 /nfs/dbraw/zinc/17/18/14/668171814.db2.gz ZHDAIINTNBKUDW-NEPJUHHUSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034278 668171916 /nfs/dbraw/zinc/17/19/16/668171916.db2.gz ZHDAIINTNBKUDW-NWDGAFQWSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034279 668171734 /nfs/dbraw/zinc/17/17/34/668171734.db2.gz ZHDAIINTNBKUDW-RYUDHWBXSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001027034280 668171678 /nfs/dbraw/zinc/17/16/78/668171678.db2.gz ZHDAIINTNBKUDW-VXGBXAGGSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001027038220 668172447 /nfs/dbraw/zinc/17/24/47/668172447.db2.gz KBVXPWPNCLKTMZ-NXEZZACHSA-N 1 0 335.364 -1.017 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001027038221 668172700 /nfs/dbraw/zinc/17/27/00/668172700.db2.gz KBVXPWPNCLKTMZ-UWVGGRQHSA-N 1 0 335.364 -1.017 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001027038222 668172689 /nfs/dbraw/zinc/17/26/89/668172689.db2.gz KBVXPWPNCLKTMZ-VHSXEESVSA-N 1 0 335.364 -1.017 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001027038223 668172459 /nfs/dbraw/zinc/17/24/59/668172459.db2.gz KBVXPWPNCLKTMZ-ZJUUUORDSA-N 1 0 335.364 -1.017 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]c1=O ZINC001027038991 668172995 /nfs/dbraw/zinc/17/29/95/668172995.db2.gz TZXZYPRLJGSOPM-SECBINFHSA-N 1 0 335.368 -1.201 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]c1=O ZINC001027038992 668173170 /nfs/dbraw/zinc/17/31/70/668173170.db2.gz TZXZYPRLJGSOPM-VIFPVBQESA-N 1 0 335.368 -1.201 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)nc1=O ZINC001027043981 668172385 /nfs/dbraw/zinc/17/23/85/668172385.db2.gz PQGXLYDNFZNRFF-BMIGLBTASA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)nc1=O ZINC001027043982 668172435 /nfs/dbraw/zinc/17/24/35/668172435.db2.gz PQGXLYDNFZNRFF-BONVTDFDSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027060070 668177266 /nfs/dbraw/zinc/17/72/66/668177266.db2.gz CQCZUOXXQLMHJE-GARJFASQSA-N 1 0 337.384 -1.819 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027060071 668177374 /nfs/dbraw/zinc/17/73/74/668177374.db2.gz CQCZUOXXQLMHJE-OUAUKWLOSA-N 1 0 337.384 -1.819 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)nc1=O ZINC001027060996 668177920 /nfs/dbraw/zinc/17/79/20/668177920.db2.gz RTEHHCKZJTWRQB-BMIGLBTASA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)nc1=O ZINC001027060997 668177837 /nfs/dbraw/zinc/17/78/37/668177837.db2.gz RTEHHCKZJTWRQB-BONVTDFDSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)nc1=O ZINC001027060998 668177776 /nfs/dbraw/zinc/17/77/76/668177776.db2.gz RTEHHCKZJTWRQB-MEBBXXQBSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)nc1=O ZINC001027060999 668177783 /nfs/dbraw/zinc/17/77/83/668177783.db2.gz RTEHHCKZJTWRQB-ZUZCIYMTSA-N 1 0 336.396 -1.427 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027061474 668177662 /nfs/dbraw/zinc/17/76/62/668177662.db2.gz ATVWVHHITFHJAT-GRYCIOLGSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027061475 668177827 /nfs/dbraw/zinc/17/78/27/668177827.db2.gz ATVWVHHITFHJAT-SDDRHHMPSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001027061534 668177746 /nfs/dbraw/zinc/17/77/46/668177746.db2.gz BRZMRYKHRHVGHH-KGYLQXTDSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001027061535 668177833 /nfs/dbraw/zinc/17/78/33/668177833.db2.gz BRZMRYKHRHVGHH-WCFLWFBJSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027061617 668177895 /nfs/dbraw/zinc/17/78/95/668177895.db2.gz DBWPKFBLZYFXND-KGYLQXTDSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027061618 668177876 /nfs/dbraw/zinc/17/78/76/668177876.db2.gz DBWPKFBLZYFXND-WCFLWFBJSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001027061806 668177889 /nfs/dbraw/zinc/17/78/89/668177889.db2.gz IAAVJJXGTLPHTN-KGYLQXTDSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001027061807 668177786 /nfs/dbraw/zinc/17/77/86/668177786.db2.gz IAAVJJXGTLPHTN-WCFLWFBJSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027062147 668178350 /nfs/dbraw/zinc/17/83/50/668178350.db2.gz OQCFTMNRDGTTAH-GRYCIOLGSA-N 1 0 336.396 -1.214 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027062148 668178447 /nfs/dbraw/zinc/17/84/47/668178447.db2.gz OQCFTMNRDGTTAH-SDDRHHMPSA-N 1 0 336.396 -1.214 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001027065715 668179393 /nfs/dbraw/zinc/17/93/93/668179393.db2.gz DWHSPXASHVGSQX-TUAOUCFPSA-N 1 0 335.412 -1.128 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001027065716 668178936 /nfs/dbraw/zinc/17/89/36/668178936.db2.gz DWHSPXASHVGSQX-UTUOFQBUSA-N 1 0 335.412 -1.128 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027066901 668178666 /nfs/dbraw/zinc/17/86/66/668178666.db2.gz BXOSLMXCNGBZDV-TUAOUCFPSA-N 1 0 348.407 -1.132 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027066902 668178470 /nfs/dbraw/zinc/17/84/70/668178470.db2.gz BXOSLMXCNGBZDV-UTUOFQBUSA-N 1 0 348.407 -1.132 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001027068165 668178432 /nfs/dbraw/zinc/17/84/32/668178432.db2.gz MAKACDAEXYKOTM-LLVKDONJSA-N 1 0 348.411 -1.192 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001027068166 668178458 /nfs/dbraw/zinc/17/84/58/668178458.db2.gz MAKACDAEXYKOTM-NSHDSACASA-N 1 0 348.411 -1.192 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001027068238 668178677 /nfs/dbraw/zinc/17/86/77/668178677.db2.gz NNFLHROBZCLGDA-LLVKDONJSA-N 1 0 333.400 -1.091 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001027068239 668178532 /nfs/dbraw/zinc/17/85/32/668178532.db2.gz NNFLHROBZCLGDA-NSHDSACASA-N 1 0 333.400 -1.091 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001027068323 668178591 /nfs/dbraw/zinc/17/85/91/668178591.db2.gz QIHSPQIHEOYISG-AAEUAGOBSA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001027068324 668178617 /nfs/dbraw/zinc/17/86/17/668178617.db2.gz QIHSPQIHEOYISG-DGCLKSJQSA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001027068325 668178302 /nfs/dbraw/zinc/17/83/02/668178302.db2.gz QIHSPQIHEOYISG-WCQYABFASA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001027068326 668178464 /nfs/dbraw/zinc/17/84/64/668178464.db2.gz QIHSPQIHEOYISG-YPMHNXCESA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)nc1=O ZINC001027068802 668178595 /nfs/dbraw/zinc/17/85/95/668178595.db2.gz DXPRKMTYBBZFFK-SECBINFHSA-N 1 0 347.379 -1.213 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)nc1=O ZINC001027068803 668178648 /nfs/dbraw/zinc/17/86/48/668178648.db2.gz DXPRKMTYBBZFFK-VIFPVBQESA-N 1 0 347.379 -1.213 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001027069220 668178307 /nfs/dbraw/zinc/17/83/07/668178307.db2.gz NLABQHAOSHJQGW-GXSJLCMTSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001027069221 668178422 /nfs/dbraw/zinc/17/84/22/668178422.db2.gz NLABQHAOSHJQGW-KOLCDFICSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001027069222 668178624 /nfs/dbraw/zinc/17/86/24/668178624.db2.gz NLABQHAOSHJQGW-MWLCHTKSSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001027069223 668178436 /nfs/dbraw/zinc/17/84/36/668178436.db2.gz NLABQHAOSHJQGW-ONGXEEELSA-N 1 0 347.375 -1.030 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001027069254 668178525 /nfs/dbraw/zinc/17/85/25/668178525.db2.gz OGIHRCNEELTXNX-SECBINFHSA-N 1 0 332.368 -1.111 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001027069255 668178653 /nfs/dbraw/zinc/17/86/53/668178653.db2.gz OGIHRCNEELTXNX-VIFPVBQESA-N 1 0 332.368 -1.111 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027075582 668180973 /nfs/dbraw/zinc/18/09/73/668180973.db2.gz WLSIGGOHYOOBEW-CMPLNLGQSA-N 1 0 334.380 -1.019 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001027075583 668180987 /nfs/dbraw/zinc/18/09/87/668180987.db2.gz WLSIGGOHYOOBEW-JQWIXIFHSA-N 1 0 334.380 -1.019 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001027075584 668180562 /nfs/dbraw/zinc/18/05/62/668180562.db2.gz WLSIGGOHYOOBEW-PWSUYJOCSA-N 1 0 334.380 -1.019 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027075585 668181026 /nfs/dbraw/zinc/18/10/26/668181026.db2.gz WLSIGGOHYOOBEW-ZYHUDNBSSA-N 1 0 334.380 -1.019 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027093693 668181975 /nfs/dbraw/zinc/18/19/75/668181975.db2.gz BZYFRVWBBMAKQD-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027093694 668181938 /nfs/dbraw/zinc/18/19/38/668181938.db2.gz BZYFRVWBBMAKQD-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027093900 668181943 /nfs/dbraw/zinc/18/19/43/668181943.db2.gz GSEFSXUQXYDSEB-UWVGGRQHSA-N 1 0 336.352 -1.086 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027093901 668181880 /nfs/dbraw/zinc/18/18/80/668181880.db2.gz GSEFSXUQXYDSEB-ZJUUUORDSA-N 1 0 336.352 -1.086 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027093987 668182060 /nfs/dbraw/zinc/18/20/60/668182060.db2.gz GWTXULIXDNYOBK-KOLCDFICSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027093988 668182008 /nfs/dbraw/zinc/18/20/08/668182008.db2.gz GWTXULIXDNYOBK-ONGXEEELSA-N 1 0 335.368 -1.649 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094210 668181782 /nfs/dbraw/zinc/18/17/82/668181782.db2.gz KLAQWGGATGTYES-JQWIXIFHSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094211 668182067 /nfs/dbraw/zinc/18/20/67/668182067.db2.gz KLAQWGGATGTYES-PWSUYJOCSA-N 1 0 349.395 -1.166 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)[nH]1 ZINC001027094300 668181910 /nfs/dbraw/zinc/18/19/10/668181910.db2.gz MNQGYKOVZJXNCQ-UWVGGRQHSA-N 1 0 335.368 -1.351 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)[nH]1 ZINC001027094301 668182075 /nfs/dbraw/zinc/18/20/75/668182075.db2.gz MNQGYKOVZJXNCQ-ZJUUUORDSA-N 1 0 335.368 -1.351 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094306 668181964 /nfs/dbraw/zinc/18/19/64/668181964.db2.gz MPJYJJNEAJKCOD-MNOVXSKESA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094307 668181830 /nfs/dbraw/zinc/18/18/30/668181830.db2.gz MPJYJJNEAJKCOD-QWRGUYRKSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094403 668182037 /nfs/dbraw/zinc/18/20/37/668182037.db2.gz NCNCKMUANJQWAC-UWVGGRQHSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094404 668182068 /nfs/dbraw/zinc/18/20/68/668182068.db2.gz NCNCKMUANJQWAC-ZJUUUORDSA-N 1 0 335.368 -1.649 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094405 668182086 /nfs/dbraw/zinc/18/20/86/668182086.db2.gz NDKKCLYDJGGHGS-MNOVXSKESA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094406 668181890 /nfs/dbraw/zinc/18/18/90/668181890.db2.gz NDKKCLYDJGGHGS-QWRGUYRKSA-N 1 0 349.395 -1.166 20 0 EAADRO Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094445 668182026 /nfs/dbraw/zinc/18/20/26/668182026.db2.gz NSOXJLSRHABSQC-UWVGGRQHSA-N 1 0 336.352 -1.086 20 0 EAADRO Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094446 668181986 /nfs/dbraw/zinc/18/19/86/668181986.db2.gz NSOXJLSRHABSQC-ZJUUUORDSA-N 1 0 336.352 -1.086 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cn1 ZINC001027094470 668182670 /nfs/dbraw/zinc/18/26/70/668182670.db2.gz OFQXYFRIOMAOGF-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cn1 ZINC001027094471 668182500 /nfs/dbraw/zinc/18/25/00/668182500.db2.gz OFQXYFRIOMAOGF-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094494 668182638 /nfs/dbraw/zinc/18/26/38/668182638.db2.gz OLNIUMNFFHPQKQ-JQWIXIFHSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094495 668182511 /nfs/dbraw/zinc/18/25/11/668182511.db2.gz OLNIUMNFFHPQKQ-PWSUYJOCSA-N 1 0 349.395 -1.166 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094617 668182626 /nfs/dbraw/zinc/18/26/26/668182626.db2.gz QWUUXKFOVPFDPZ-KOLCDFICSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094618 668182566 /nfs/dbraw/zinc/18/25/66/668182566.db2.gz QWUUXKFOVPFDPZ-ONGXEEELSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094649 668182394 /nfs/dbraw/zinc/18/23/94/668182394.db2.gz RQUCLRSHAUEZGO-UWVGGRQHSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094650 668182675 /nfs/dbraw/zinc/18/26/75/668182675.db2.gz RQUCLRSHAUEZGO-ZJUUUORDSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094682 668182652 /nfs/dbraw/zinc/18/26/52/668182652.db2.gz SCUAUZFRZFOZOA-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094683 668182404 /nfs/dbraw/zinc/18/24/04/668182404.db2.gz SCUAUZFRZFOZOA-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094688 668182616 /nfs/dbraw/zinc/18/26/16/668182616.db2.gz SDRHYVOEEQIRQU-JQWIXIFHSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001027094689 668182525 /nfs/dbraw/zinc/18/25/25/668182525.db2.gz SDRHYVOEEQIRQU-PWSUYJOCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001027094690 668182645 /nfs/dbraw/zinc/18/26/45/668182645.db2.gz SFAHLUJLLAJNJT-KOLCDFICSA-N 1 0 335.368 -1.649 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001027094691 668182588 /nfs/dbraw/zinc/18/25/88/668182588.db2.gz SFAHLUJLLAJNJT-ONGXEEELSA-N 1 0 335.368 -1.649 20 0 EAADRO CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001027094781 668182535 /nfs/dbraw/zinc/18/25/35/668182535.db2.gz VHPABGROVBKZTH-JQWIXIFHSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001027094782 668182357 /nfs/dbraw/zinc/18/23/57/668182357.db2.gz VHPABGROVBKZTH-PWSUYJOCSA-N 1 0 349.395 -1.166 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)o1 ZINC001027094817 668182688 /nfs/dbraw/zinc/18/26/88/668182688.db2.gz WASUVWNIRJGSFA-UWVGGRQHSA-N 1 0 336.352 -1.086 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)o1 ZINC001027094818 668182373 /nfs/dbraw/zinc/18/23/73/668182373.db2.gz WASUVWNIRJGSFA-ZJUUUORDSA-N 1 0 336.352 -1.086 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094980 668182548 /nfs/dbraw/zinc/18/25/48/668182548.db2.gz YHMZUBXKMAQLED-BDAKNGLRSA-N 1 0 336.356 -2.254 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027094981 668182611 /nfs/dbraw/zinc/18/26/11/668182611.db2.gz YHMZUBXKMAQLED-IUCAKERBSA-N 1 0 336.356 -2.254 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001027100546 668182431 /nfs/dbraw/zinc/18/24/31/668182431.db2.gz DKUMMXCHPJRAKH-CMPLNLGQSA-N 1 0 349.391 -1.976 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001027100547 668182479 /nfs/dbraw/zinc/18/24/79/668182479.db2.gz DKUMMXCHPJRAKH-JQWIXIFHSA-N 1 0 349.391 -1.976 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001027100548 668182574 /nfs/dbraw/zinc/18/25/74/668182574.db2.gz DKUMMXCHPJRAKH-PWSUYJOCSA-N 1 0 349.391 -1.976 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001027100549 668182450 /nfs/dbraw/zinc/18/24/50/668182450.db2.gz DKUMMXCHPJRAKH-ZYHUDNBSSA-N 1 0 349.391 -1.976 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)c(=O)n(C)c1=O ZINC001027101794 668182468 /nfs/dbraw/zinc/18/24/68/668182468.db2.gz WICMJAUCTKLPJW-JTQLQIEISA-N 1 0 348.363 -1.281 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)c(=O)n(C)c1=O ZINC001027101795 668182660 /nfs/dbraw/zinc/18/26/60/668182660.db2.gz WICMJAUCTKLPJW-SNVBAGLBSA-N 1 0 348.363 -1.281 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001027102185 668182504 /nfs/dbraw/zinc/18/25/04/668182504.db2.gz YAEVZKBHBAOKEL-JTQLQIEISA-N 1 0 344.441 -1.029 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001027102186 668182678 /nfs/dbraw/zinc/18/26/78/668182678.db2.gz YAEVZKBHBAOKEL-SNVBAGLBSA-N 1 0 344.441 -1.029 20 0 EAADRO CC(C)c1nnnn1CC(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001027110362 668183766 /nfs/dbraw/zinc/18/37/66/668183766.db2.gz LLCUJSYFVQYQCY-LLVKDONJSA-N 1 0 348.415 -1.042 20 0 EAADRO CC(C)c1nnnn1CC(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001027110363 668183711 /nfs/dbraw/zinc/18/37/11/668183711.db2.gz LLCUJSYFVQYQCY-NSHDSACASA-N 1 0 348.415 -1.042 20 0 EAADRO CC(C)c1nnnn1CC(=O)N1CC[C@H](CNCc2nnn(C)n2)C1 ZINC001027111982 668183072 /nfs/dbraw/zinc/18/30/72/668183072.db2.gz SRVKLPPGXMRBQD-LLVKDONJSA-N 1 0 348.415 -1.042 20 0 EAADRO CC(C)c1nnnn1CC(=O)N1CC[C@@H](CNCc2nnn(C)n2)C1 ZINC001027111983 668183247 /nfs/dbraw/zinc/18/32/47/668183247.db2.gz SRVKLPPGXMRBQD-NSHDSACASA-N 1 0 348.415 -1.042 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)nc1=O ZINC001027117824 668184249 /nfs/dbraw/zinc/18/42/49/668184249.db2.gz GLBWPCOJQBHWLO-GHMZBOCLSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)nc1=O ZINC001027117825 668184065 /nfs/dbraw/zinc/18/40/65/668184065.db2.gz GLBWPCOJQBHWLO-MNOVXSKESA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)nc1=O ZINC001027117826 668184190 /nfs/dbraw/zinc/18/41/90/668184190.db2.gz GLBWPCOJQBHWLO-QWRGUYRKSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)nc1=O ZINC001027117827 668184368 /nfs/dbraw/zinc/18/43/68/668184368.db2.gz GLBWPCOJQBHWLO-WDEREUQCSA-N 1 0 336.396 -1.285 20 0 EAADRO O=C(C1CC2(C1)NC(=O)NC2=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027118112 668185239 /nfs/dbraw/zinc/18/52/39/668185239.db2.gz LXCUEGHUYDNVIB-SBTGLGLWSA-N 1 0 348.363 -1.004 20 0 EAADRO O=C(C1CC2(C1)NC(=O)NC2=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027118113 668185179 /nfs/dbraw/zinc/18/51/79/668185179.db2.gz LXCUEGHUYDNVIB-YLTRJXTNSA-N 1 0 348.363 -1.004 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027119039 668184707 /nfs/dbraw/zinc/18/47/07/668184707.db2.gz BQRKNPOXMQWXFO-JTQLQIEISA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027119040 668184673 /nfs/dbraw/zinc/18/46/73/668184673.db2.gz BQRKNPOXMQWXFO-SNVBAGLBSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001027119091 668184889 /nfs/dbraw/zinc/18/48/89/668184889.db2.gz DCKJNPASZOLZIG-JTQLQIEISA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001027119092 668184824 /nfs/dbraw/zinc/18/48/24/668184824.db2.gz DCKJNPASZOLZIG-SNVBAGLBSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027119121 668184853 /nfs/dbraw/zinc/18/48/53/668184853.db2.gz DOPUDZVIRHGMGK-SECBINFHSA-N 1 0 335.368 -1.799 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027119122 668184743 /nfs/dbraw/zinc/18/47/43/668184743.db2.gz DOPUDZVIRHGMGK-VIFPVBQESA-N 1 0 335.368 -1.799 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027119667 668184841 /nfs/dbraw/zinc/18/48/41/668184841.db2.gz NUKKQFQDGLFIGZ-JTQLQIEISA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027119668 668184912 /nfs/dbraw/zinc/18/49/12/668184912.db2.gz NUKKQFQDGLFIGZ-SNVBAGLBSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027120162 668184881 /nfs/dbraw/zinc/18/48/81/668184881.db2.gz WZNOSKBULGTEMK-JTQLQIEISA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027120163 668184597 /nfs/dbraw/zinc/18/45/97/668184597.db2.gz WZNOSKBULGTEMK-SNVBAGLBSA-N 1 0 334.380 -1.194 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001027120470 668184723 /nfs/dbraw/zinc/18/47/23/668184723.db2.gz DEWRZHDDTRZXRG-CMPLNLGQSA-N 1 0 336.392 -1.292 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001027120471 668184907 /nfs/dbraw/zinc/18/49/07/668184907.db2.gz DEWRZHDDTRZXRG-JQWIXIFHSA-N 1 0 336.392 -1.292 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001027120472 668184859 /nfs/dbraw/zinc/18/48/59/668184859.db2.gz DEWRZHDDTRZXRG-PWSUYJOCSA-N 1 0 336.392 -1.292 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001027120473 668184876 /nfs/dbraw/zinc/18/48/76/668184876.db2.gz DEWRZHDDTRZXRG-ZYHUDNBSSA-N 1 0 336.392 -1.292 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001027121076 668184736 /nfs/dbraw/zinc/18/47/36/668184736.db2.gz PWQDJACXVUUAAS-JTQLQIEISA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001027121077 668184656 /nfs/dbraw/zinc/18/46/56/668184656.db2.gz PWQDJACXVUUAAS-SNVBAGLBSA-N 1 0 334.380 -1.194 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027121086 668184789 /nfs/dbraw/zinc/18/47/89/668184789.db2.gz QFEFSPCVWYLXGB-CMPLNLGQSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027121087 668184732 /nfs/dbraw/zinc/18/47/32/668184732.db2.gz QFEFSPCVWYLXGB-JQWIXIFHSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027121088 668184729 /nfs/dbraw/zinc/18/47/29/668184729.db2.gz QFEFSPCVWYLXGB-PWSUYJOCSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027121089 668184719 /nfs/dbraw/zinc/18/47/19/668184719.db2.gz QFEFSPCVWYLXGB-ZYHUDNBSSA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001027121435 668184796 /nfs/dbraw/zinc/18/47/96/668184796.db2.gz YJXUGGKEHDZNMS-NXEZZACHSA-N 1 0 349.395 -1.238 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001027121436 668184862 /nfs/dbraw/zinc/18/48/62/668184862.db2.gz YJXUGGKEHDZNMS-UWVGGRQHSA-N 1 0 349.395 -1.238 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001027121437 668184820 /nfs/dbraw/zinc/18/48/20/668184820.db2.gz YJXUGGKEHDZNMS-VHSXEESVSA-N 1 0 349.395 -1.238 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001027121438 668185186 /nfs/dbraw/zinc/18/51/86/668185186.db2.gz YJXUGGKEHDZNMS-ZJUUUORDSA-N 1 0 349.395 -1.238 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001027123592 668186319 /nfs/dbraw/zinc/18/63/19/668186319.db2.gz TWHFSASLWQDIPW-CYBMUJFWSA-N 1 0 337.428 -1.130 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001027123593 668186298 /nfs/dbraw/zinc/18/62/98/668186298.db2.gz TWHFSASLWQDIPW-ZDUSSCGKSA-N 1 0 337.428 -1.130 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027124105 668186244 /nfs/dbraw/zinc/18/62/44/668186244.db2.gz FQNSCTLMXFCBCX-NEPJUHHUSA-N 1 0 349.391 -1.747 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027124106 668186416 /nfs/dbraw/zinc/18/64/16/668186416.db2.gz FQNSCTLMXFCBCX-NWDGAFQWSA-N 1 0 349.391 -1.747 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027124107 668186432 /nfs/dbraw/zinc/18/64/32/668186432.db2.gz FQNSCTLMXFCBCX-RYUDHWBXSA-N 1 0 349.391 -1.747 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027124108 668186475 /nfs/dbraw/zinc/18/64/75/668186475.db2.gz FQNSCTLMXFCBCX-VXGBXAGGSA-N 1 0 349.391 -1.747 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027124800 668186397 /nfs/dbraw/zinc/18/63/97/668186397.db2.gz SATPZCGTISWYKB-LLVKDONJSA-N 1 0 348.363 -1.052 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027124801 668186402 /nfs/dbraw/zinc/18/64/02/668186402.db2.gz SATPZCGTISWYKB-NSHDSACASA-N 1 0 348.363 -1.052 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125278 668186991 /nfs/dbraw/zinc/18/69/91/668186991.db2.gz AATICYJHFMXZRL-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125279 668186876 /nfs/dbraw/zinc/18/68/76/668186876.db2.gz AATICYJHFMXZRL-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125310 668186839 /nfs/dbraw/zinc/18/68/39/668186839.db2.gz BCXKWUVPJSOLRO-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125311 668186855 /nfs/dbraw/zinc/18/68/55/668186855.db2.gz BCXKWUVPJSOLRO-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001027125312 668186978 /nfs/dbraw/zinc/18/69/78/668186978.db2.gz BEECGSLRVPFPES-GHMZBOCLSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001027125313 668187011 /nfs/dbraw/zinc/18/70/11/668187011.db2.gz BEECGSLRVPFPES-MNOVXSKESA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001027125314 668187003 /nfs/dbraw/zinc/18/70/03/668187003.db2.gz BEECGSLRVPFPES-QWRGUYRKSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001027125315 668186906 /nfs/dbraw/zinc/18/69/06/668186906.db2.gz BEECGSLRVPFPES-WDEREUQCSA-N 1 0 337.380 -1.793 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC001027125318 668186968 /nfs/dbraw/zinc/18/69/68/668186968.db2.gz BETARWYRNJTJFF-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC001027125319 668186754 /nfs/dbraw/zinc/18/67/54/668186754.db2.gz BETARWYRNJTJFF-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001027125397 668186847 /nfs/dbraw/zinc/18/68/47/668186847.db2.gz CFCYXFPZYFDNSF-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001027125398 668186786 /nfs/dbraw/zinc/18/67/86/668186786.db2.gz CFCYXFPZYFDNSF-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125471 668187004 /nfs/dbraw/zinc/18/70/04/668187004.db2.gz DSIBMCKHJDFBCV-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125472 668186864 /nfs/dbraw/zinc/18/68/64/668186864.db2.gz DSIBMCKHJDFBCV-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125502 668186927 /nfs/dbraw/zinc/18/69/27/668186927.db2.gz DWJLIYLIEWFMGJ-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125503 668186911 /nfs/dbraw/zinc/18/69/11/668186911.db2.gz DWJLIYLIEWFMGJ-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001027125514 668186860 /nfs/dbraw/zinc/18/68/60/668186860.db2.gz FLSPJLFXIJCVLT-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001027125515 668186889 /nfs/dbraw/zinc/18/68/89/668186889.db2.gz FLSPJLFXIJCVLT-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125582 668186780 /nfs/dbraw/zinc/18/67/80/668186780.db2.gz GNMOKLGFHNRETQ-JTQLQIEISA-N 1 0 336.352 -1.132 20 0 EAADRO Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125583 668186917 /nfs/dbraw/zinc/18/69/17/668186917.db2.gz GNMOKLGFHNRETQ-SNVBAGLBSA-N 1 0 336.352 -1.132 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125592 668186811 /nfs/dbraw/zinc/18/68/11/668186811.db2.gz GTLFENGSIYLLPZ-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125593 668186973 /nfs/dbraw/zinc/18/69/73/668186973.db2.gz GTLFENGSIYLLPZ-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027125647 668186761 /nfs/dbraw/zinc/18/67/61/668186761.db2.gz HABNQTYHPIJSQE-GHMZBOCLSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027125648 668186924 /nfs/dbraw/zinc/18/69/24/668186924.db2.gz HABNQTYHPIJSQE-MNOVXSKESA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027125649 668186823 /nfs/dbraw/zinc/18/68/23/668186823.db2.gz HABNQTYHPIJSQE-QWRGUYRKSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027125650 668186936 /nfs/dbraw/zinc/18/69/36/668186936.db2.gz HABNQTYHPIJSQE-WDEREUQCSA-N 1 0 337.380 -1.745 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125653 668186852 /nfs/dbraw/zinc/18/68/52/668186852.db2.gz HCMOAUHQBUZUEJ-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027125654 668186829 /nfs/dbraw/zinc/18/68/29/668186829.db2.gz HCMOAUHQBUZUEJ-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO CCn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125669 668186960 /nfs/dbraw/zinc/18/69/60/668186960.db2.gz HHGNGOIYSBCQIV-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125670 668186772 /nfs/dbraw/zinc/18/67/72/668186772.db2.gz HHGNGOIYSBCQIV-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001027125705 668187546 /nfs/dbraw/zinc/18/75/46/668187546.db2.gz IKTJFZACIZOGNU-JTQLQIEISA-N 1 0 335.368 -1.397 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001027125706 668187216 /nfs/dbraw/zinc/18/72/16/668187216.db2.gz IKTJFZACIZOGNU-SNVBAGLBSA-N 1 0 335.368 -1.397 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125786 668185088 /nfs/dbraw/zinc/18/50/88/668185088.db2.gz JAFCXOOLETTYBQ-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001027125787 668185284 /nfs/dbraw/zinc/18/52/84/668185284.db2.gz JAFCXOOLETTYBQ-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)o1 ZINC001027125844 668185258 /nfs/dbraw/zinc/18/52/58/668185258.db2.gz KLWRAITXJJCSJU-JTQLQIEISA-N 1 0 336.352 -1.132 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)o1 ZINC001027125845 668185213 /nfs/dbraw/zinc/18/52/13/668185213.db2.gz KLWRAITXJJCSJU-SNVBAGLBSA-N 1 0 336.352 -1.132 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126023 668185363 /nfs/dbraw/zinc/18/53/63/668185363.db2.gz NACDGTJYSDEJBQ-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126024 668185346 /nfs/dbraw/zinc/18/53/46/668185346.db2.gz NACDGTJYSDEJBQ-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001027126072 668185366 /nfs/dbraw/zinc/18/53/66/668185366.db2.gz NDRUQKSODJDVPT-LLVKDONJSA-N 1 0 332.364 -1.034 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001027126073 668185812 /nfs/dbraw/zinc/18/58/12/668185812.db2.gz NDRUQKSODJDVPT-NSHDSACASA-N 1 0 332.364 -1.034 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126096 668185881 /nfs/dbraw/zinc/18/58/81/668185881.db2.gz NQOXWCOEOSFESK-JTQLQIEISA-N 1 0 336.352 -1.132 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126097 668185846 /nfs/dbraw/zinc/18/58/46/668185846.db2.gz NQOXWCOEOSFESK-SNVBAGLBSA-N 1 0 336.352 -1.132 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126215 668185946 /nfs/dbraw/zinc/18/59/46/668185946.db2.gz QHMUQICRIOYUDZ-SECBINFHSA-N 1 0 336.356 -2.300 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126216 668185905 /nfs/dbraw/zinc/18/59/05/668185905.db2.gz QHMUQICRIOYUDZ-VIFPVBQESA-N 1 0 336.356 -2.300 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126368 668185664 /nfs/dbraw/zinc/18/56/64/668185664.db2.gz SZZRMEAOLDBGDF-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126369 668185861 /nfs/dbraw/zinc/18/58/61/668185861.db2.gz SZZRMEAOLDBGDF-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)c1nncn1C ZINC001027126584 668185578 /nfs/dbraw/zinc/18/55/78/668185578.db2.gz XXNLUBMVSKHKEW-GHMZBOCLSA-N 1 0 349.395 -1.134 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)c1nncn1C ZINC001027126585 668185601 /nfs/dbraw/zinc/18/56/01/668185601.db2.gz XXNLUBMVSKHKEW-MNOVXSKESA-N 1 0 349.395 -1.134 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)c1nncn1C ZINC001027126586 668185708 /nfs/dbraw/zinc/18/57/08/668185708.db2.gz XXNLUBMVSKHKEW-QWRGUYRKSA-N 1 0 349.395 -1.134 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)c1nncn1C ZINC001027126587 668185654 /nfs/dbraw/zinc/18/56/54/668185654.db2.gz XXNLUBMVSKHKEW-WDEREUQCSA-N 1 0 349.395 -1.134 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126600 668185897 /nfs/dbraw/zinc/18/58/97/668185897.db2.gz YGJJTQPMQGAKPB-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027126601 668185774 /nfs/dbraw/zinc/18/57/74/668185774.db2.gz YGJJTQPMQGAKPB-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)n(C)c1=O ZINC001027128427 668187359 /nfs/dbraw/zinc/18/73/59/668187359.db2.gz UOFUZPRFBMWVKA-JTQLQIEISA-N 1 0 347.379 -1.546 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@H]2CCN(C(=O)c3nc[nH]n3)C2)n(C)c1=O ZINC001027128428 668187264 /nfs/dbraw/zinc/18/72/64/668187264.db2.gz UOFUZPRFBMWVKA-SNVBAGLBSA-N 1 0 347.379 -1.546 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001027129534 668187897 /nfs/dbraw/zinc/18/78/97/668187897.db2.gz BTCBJPUFLHAEBD-JTQLQIEISA-N 1 0 342.367 -1.100 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001027129535 668187941 /nfs/dbraw/zinc/18/79/41/668187941.db2.gz BTCBJPUFLHAEBD-SNVBAGLBSA-N 1 0 342.367 -1.100 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@@H]2CCN(C(=O)c3cnon3)C2)n(C)c1=O ZINC001027131602 668189267 /nfs/dbraw/zinc/18/92/67/668189267.db2.gz VHKYKVQWZDLVMC-JTQLQIEISA-N 1 0 348.363 -1.281 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@H]2CCN(C(=O)c3cnon3)C2)n(C)c1=O ZINC001027131603 668189229 /nfs/dbraw/zinc/18/92/29/668189229.db2.gz VHKYKVQWZDLVMC-SNVBAGLBSA-N 1 0 348.363 -1.281 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC001027138176 668189703 /nfs/dbraw/zinc/18/97/03/668189703.db2.gz HTOMGMSFGGNEAU-GHMZBOCLSA-N 1 0 334.388 -1.214 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC001027138177 668189749 /nfs/dbraw/zinc/18/97/49/668189749.db2.gz HTOMGMSFGGNEAU-MNOVXSKESA-N 1 0 334.388 -1.214 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC001027138178 668189824 /nfs/dbraw/zinc/18/98/24/668189824.db2.gz HTOMGMSFGGNEAU-QWRGUYRKSA-N 1 0 334.388 -1.214 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC001027138179 668189735 /nfs/dbraw/zinc/18/97/35/668189735.db2.gz HTOMGMSFGGNEAU-WDEREUQCSA-N 1 0 334.388 -1.214 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CCn3cnnn3)C2)nc1=O ZINC001027138836 668189716 /nfs/dbraw/zinc/18/97/16/668189716.db2.gz VOFOMQCXEMFPKX-JTQLQIEISA-N 1 0 335.372 -1.877 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)CCn3cnnn3)C2)nc1=O ZINC001027138837 668189923 /nfs/dbraw/zinc/18/99/23/668189923.db2.gz VOFOMQCXEMFPKX-SNVBAGLBSA-N 1 0 335.372 -1.877 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027138838 668189804 /nfs/dbraw/zinc/18/98/04/668189804.db2.gz VOHPKYKUTZFBOH-GHMZBOCLSA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001027138839 668189816 /nfs/dbraw/zinc/18/98/16/668189816.db2.gz VOHPKYKUTZFBOH-MNOVXSKESA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001027138840 668189928 /nfs/dbraw/zinc/18/99/28/668189928.db2.gz VOHPKYKUTZFBOH-QWRGUYRKSA-N 1 0 335.368 -1.694 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027138841 668189893 /nfs/dbraw/zinc/18/98/93/668189893.db2.gz VOHPKYKUTZFBOH-WDEREUQCSA-N 1 0 335.368 -1.694 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)nc1=O ZINC001027143058 668191002 /nfs/dbraw/zinc/19/10/02/668191002.db2.gz HKQYRSRAAKFOSJ-SECBINFHSA-N 1 0 347.379 -1.213 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)nc1=O ZINC001027143059 668190813 /nfs/dbraw/zinc/19/08/13/668190813.db2.gz HKQYRSRAAKFOSJ-VIFPVBQESA-N 1 0 347.379 -1.213 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001027143787 668190887 /nfs/dbraw/zinc/19/08/87/668190887.db2.gz SEZCPCSIBMDTSW-GXSJLCMTSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c1 ZINC001027143788 668190800 /nfs/dbraw/zinc/19/08/00/668190800.db2.gz SEZCPCSIBMDTSW-KOLCDFICSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001027143789 668190919 /nfs/dbraw/zinc/19/09/19/668190919.db2.gz SEZCPCSIBMDTSW-MWLCHTKSSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c1 ZINC001027143790 668190915 /nfs/dbraw/zinc/19/09/15/668190915.db2.gz SEZCPCSIBMDTSW-ONGXEEELSA-N 1 0 347.375 -1.030 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001027143876 668191430 /nfs/dbraw/zinc/19/14/30/668191430.db2.gz UXMGUKFLCBWWLY-SECBINFHSA-N 1 0 332.368 -1.111 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001027143877 668191499 /nfs/dbraw/zinc/19/14/99/668191499.db2.gz UXMGUKFLCBWWLY-VIFPVBQESA-N 1 0 332.368 -1.111 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001027144810 668191236 /nfs/dbraw/zinc/19/12/36/668191236.db2.gz LQHDMZQTWRFQLQ-GFCCVEGCSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001027144811 668191390 /nfs/dbraw/zinc/19/13/90/668191390.db2.gz LQHDMZQTWRFQLQ-LBPRGKRZSA-N 1 0 346.395 -1.205 20 0 EAADRO CCn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001027146285 668192072 /nfs/dbraw/zinc/19/20/72/668192072.db2.gz IWWZQTYVMDBWRH-JTQLQIEISA-N 1 0 334.384 -1.028 20 0 EAADRO CCn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001027146286 668192080 /nfs/dbraw/zinc/19/20/80/668192080.db2.gz IWWZQTYVMDBWRH-SNVBAGLBSA-N 1 0 334.384 -1.028 20 0 EAADRO O=C(CCn1cnccc1=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027148108 668191461 /nfs/dbraw/zinc/19/14/61/668191461.db2.gz XBJHASYYLWILIH-CHWSQXEVSA-N 1 0 333.392 -1.040 20 0 EAADRO O=C(CCn1cnccc1=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027148109 668191357 /nfs/dbraw/zinc/19/13/57/668191357.db2.gz XBJHASYYLWILIH-OLZOCXBDSA-N 1 0 333.392 -1.040 20 0 EAADRO O=C(CCn1cnccc1=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027148110 668191400 /nfs/dbraw/zinc/19/14/00/668191400.db2.gz XBJHASYYLWILIH-QWHCGFSZSA-N 1 0 333.392 -1.040 20 0 EAADRO O=C(CCn1cnccc1=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027148111 668191396 /nfs/dbraw/zinc/19/13/96/668191396.db2.gz XBJHASYYLWILIH-STQMWFEESA-N 1 0 333.392 -1.040 20 0 EAADRO Cc1nonc1CC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001027149797 668192584 /nfs/dbraw/zinc/19/25/84/668192584.db2.gz KGGBPWVPHZYSFY-JTQLQIEISA-N 1 0 335.368 -1.019 20 0 EAADRO Cc1nonc1CC(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001027149798 668192610 /nfs/dbraw/zinc/19/26/10/668192610.db2.gz KGGBPWVPHZYSFY-SNVBAGLBSA-N 1 0 335.368 -1.019 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027157666 668193670 /nfs/dbraw/zinc/19/36/70/668193670.db2.gz CVKZLBCLTNOXCC-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027157667 668193702 /nfs/dbraw/zinc/19/37/02/668193702.db2.gz CVKZLBCLTNOXCC-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C2)n1 ZINC001027157728 668193758 /nfs/dbraw/zinc/19/37/58/668193758.db2.gz FNLOXZRICITLJM-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C2)n1 ZINC001027157729 668193578 /nfs/dbraw/zinc/19/35/78/668193578.db2.gz FNLOXZRICITLJM-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027158247 668194330 /nfs/dbraw/zinc/19/43/30/668194330.db2.gz QNTMVJXYTMNURR-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027158248 668194158 /nfs/dbraw/zinc/19/41/58/668194158.db2.gz QNTMVJXYTMNURR-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027158414 668194222 /nfs/dbraw/zinc/19/42/22/668194222.db2.gz STMLGPLNVIRRMI-GHMZBOCLSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027158415 668194172 /nfs/dbraw/zinc/19/41/72/668194172.db2.gz STMLGPLNVIRRMI-MNOVXSKESA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027158416 668194301 /nfs/dbraw/zinc/19/43/01/668194301.db2.gz STMLGPLNVIRRMI-QWRGUYRKSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027158417 668194105 /nfs/dbraw/zinc/19/41/05/668194105.db2.gz STMLGPLNVIRRMI-WDEREUQCSA-N 1 0 337.380 -1.745 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C2)nn1 ZINC001027158484 668194291 /nfs/dbraw/zinc/19/42/91/668194291.db2.gz VFHPZQBWOORQOF-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C2)nn1 ZINC001027158485 668194046 /nfs/dbraw/zinc/19/40/46/668194046.db2.gz VFHPZQBWOORQOF-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C2)[nH]1 ZINC001027158517 668194079 /nfs/dbraw/zinc/19/40/79/668194079.db2.gz VGJBYCVQJCRQND-LLVKDONJSA-N 1 0 349.395 -1.007 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C2)[nH]1 ZINC001027158518 668194068 /nfs/dbraw/zinc/19/40/68/668194068.db2.gz VGJBYCVQJCRQND-NSHDSACASA-N 1 0 349.395 -1.007 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027158601 668194782 /nfs/dbraw/zinc/19/47/82/668194782.db2.gz XOGGSEIZARTJOV-LLVKDONJSA-N 1 0 349.395 -1.305 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027158602 668194730 /nfs/dbraw/zinc/19/47/30/668194730.db2.gz XOGGSEIZARTJOV-NSHDSACASA-N 1 0 349.395 -1.305 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027158649 668194645 /nfs/dbraw/zinc/19/46/45/668194645.db2.gz YHQDAEQEDKSESH-JTQLQIEISA-N 1 0 336.352 -1.050 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027158650 668194705 /nfs/dbraw/zinc/19/47/05/668194705.db2.gz YHQDAEQEDKSESH-SNVBAGLBSA-N 1 0 336.352 -1.050 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)nn1 ZINC001027167308 668196998 /nfs/dbraw/zinc/19/69/98/668196998.db2.gz BJZUZGXJGFMRBB-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)nn1 ZINC001027167309 668196983 /nfs/dbraw/zinc/19/69/83/668196983.db2.gz BJZUZGXJGFMRBB-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)n1 ZINC001027167340 668196868 /nfs/dbraw/zinc/19/68/68/668196868.db2.gz BWFQAQGDZYYINB-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)n1 ZINC001027167341 668196921 /nfs/dbraw/zinc/19/69/21/668196921.db2.gz BWFQAQGDZYYINB-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027167702 668197360 /nfs/dbraw/zinc/19/73/60/668197360.db2.gz JRBMMLSPPGEFHQ-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027167703 668197390 /nfs/dbraw/zinc/19/73/90/668197390.db2.gz JRBMMLSPPGEFHQ-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001027167764 668197351 /nfs/dbraw/zinc/19/73/51/668197351.db2.gz KUQFNDLAJVEIEJ-JTQLQIEISA-N 1 0 336.352 -1.098 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001027167765 668197407 /nfs/dbraw/zinc/19/74/07/668197407.db2.gz KUQFNDLAJVEIEJ-SNVBAGLBSA-N 1 0 336.352 -1.098 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)[nH]1 ZINC001027167778 668197400 /nfs/dbraw/zinc/19/74/00/668197400.db2.gz LEOFSAAYBDIBHC-LLVKDONJSA-N 1 0 349.395 -1.055 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)[nH]1 ZINC001027167779 668197272 /nfs/dbraw/zinc/19/72/72/668197272.db2.gz LEOFSAAYBDIBHC-NSHDSACASA-N 1 0 349.395 -1.055 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC001027167814 668197279 /nfs/dbraw/zinc/19/72/79/668197279.db2.gz MFOWFIYJPOXJCD-GHMZBOCLSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1=O ZINC001027167815 668197371 /nfs/dbraw/zinc/19/73/71/668197371.db2.gz MFOWFIYJPOXJCD-MNOVXSKESA-N 1 0 337.380 -1.793 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)C1=O ZINC001027167816 668197387 /nfs/dbraw/zinc/19/73/87/668197387.db2.gz MFOWFIYJPOXJCD-QWRGUYRKSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC001027167817 668197372 /nfs/dbraw/zinc/19/73/72/668197372.db2.gz MFOWFIYJPOXJCD-WDEREUQCSA-N 1 0 337.380 -1.793 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027167954 668197438 /nfs/dbraw/zinc/19/74/38/668197438.db2.gz PCBKCEMLTBGZCG-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027167955 668197373 /nfs/dbraw/zinc/19/73/73/668197373.db2.gz PCBKCEMLTBGZCG-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027169049 668197397 /nfs/dbraw/zinc/19/73/97/668197397.db2.gz GZHCBSPGZWNFBS-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027169050 668197257 /nfs/dbraw/zinc/19/72/57/668197257.db2.gz GZHCBSPGZWNFBS-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027169542 668197341 /nfs/dbraw/zinc/19/73/41/668197341.db2.gz QRMKYYKNDDYECN-NXEZZACHSA-N 1 0 345.363 -1.642 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027169543 668197363 /nfs/dbraw/zinc/19/73/63/668197363.db2.gz QRMKYYKNDDYECN-UWVGGRQHSA-N 1 0 345.363 -1.642 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027169544 668197323 /nfs/dbraw/zinc/19/73/23/668197323.db2.gz QRMKYYKNDDYECN-VHSXEESVSA-N 1 0 345.363 -1.642 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027169545 668197356 /nfs/dbraw/zinc/19/73/56/668197356.db2.gz QRMKYYKNDDYECN-ZJUUUORDSA-N 1 0 345.363 -1.642 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001027182857 668200054 /nfs/dbraw/zinc/20/00/54/668200054.db2.gz BKUHCAGPVCTNTQ-CHWSQXEVSA-N 1 0 333.392 -1.122 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001027182858 668200060 /nfs/dbraw/zinc/20/00/60/668200060.db2.gz BKUHCAGPVCTNTQ-OLZOCXBDSA-N 1 0 333.392 -1.122 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001027182859 668200035 /nfs/dbraw/zinc/20/00/35/668200035.db2.gz BKUHCAGPVCTNTQ-QWHCGFSZSA-N 1 0 333.392 -1.122 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001027182860 668199962 /nfs/dbraw/zinc/19/99/62/668199962.db2.gz BKUHCAGPVCTNTQ-STQMWFEESA-N 1 0 333.392 -1.122 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001027182991 668199992 /nfs/dbraw/zinc/19/99/92/668199992.db2.gz FUGYITIVISKSLH-GFCCVEGCSA-N 1 0 346.395 -1.286 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001027182992 668199984 /nfs/dbraw/zinc/19/99/84/668199984.db2.gz FUGYITIVISKSLH-LBPRGKRZSA-N 1 0 346.395 -1.286 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)c(=O)n1C ZINC001027197501 668200695 /nfs/dbraw/zinc/20/06/95/668200695.db2.gz DMSWNAVYZFRIEV-LLVKDONJSA-N 1 0 335.368 -1.088 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)c(=O)n1C ZINC001027197502 668200590 /nfs/dbraw/zinc/20/05/90/668200590.db2.gz DMSWNAVYZFRIEV-NSHDSACASA-N 1 0 335.368 -1.088 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)c(=O)n1C ZINC001027197519 668201331 /nfs/dbraw/zinc/20/13/31/668201331.db2.gz DWNXUZUUSPJPLW-LLVKDONJSA-N 1 0 349.399 -1.948 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)c(=O)n1C ZINC001027197520 668201283 /nfs/dbraw/zinc/20/12/83/668201283.db2.gz DWNXUZUUSPJPLW-NSHDSACASA-N 1 0 349.399 -1.948 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]Cc3cn(C)nn3)C2)c(=O)n1C ZINC001027197592 668201197 /nfs/dbraw/zinc/20/11/97/668201197.db2.gz GHRHLSIABSGIJL-GFCCVEGCSA-N 1 0 348.411 -1.343 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]Cc3cn(C)nn3)C2)c(=O)n1C ZINC001027197593 668201302 /nfs/dbraw/zinc/20/13/02/668201302.db2.gz GHRHLSIABSGIJL-LBPRGKRZSA-N 1 0 348.411 -1.343 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]Cc3ncnn3C)C2)c(=O)n1C ZINC001027197664 668201072 /nfs/dbraw/zinc/20/10/72/668201072.db2.gz IIINDHCPGJCCHK-GFCCVEGCSA-N 1 0 348.411 -1.343 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3C)C2)c(=O)n1C ZINC001027197665 668201088 /nfs/dbraw/zinc/20/10/88/668201088.db2.gz IIINDHCPGJCCHK-LBPRGKRZSA-N 1 0 348.411 -1.343 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)n1C ZINC001027198039 668201329 /nfs/dbraw/zinc/20/13/29/668201329.db2.gz OGDOAVNZXCHQQE-NEPJUHHUSA-N 1 0 336.396 -1.783 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)n1C ZINC001027198040 668201384 /nfs/dbraw/zinc/20/13/84/668201384.db2.gz OGDOAVNZXCHQQE-NWDGAFQWSA-N 1 0 336.396 -1.783 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)n1C ZINC001027198041 668201296 /nfs/dbraw/zinc/20/12/96/668201296.db2.gz OGDOAVNZXCHQQE-RYUDHWBXSA-N 1 0 336.396 -1.783 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)n1C ZINC001027198042 668200990 /nfs/dbraw/zinc/20/09/90/668200990.db2.gz OGDOAVNZXCHQQE-VXGBXAGGSA-N 1 0 336.396 -1.783 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)[nH]1 ZINC001027198055 668201214 /nfs/dbraw/zinc/20/12/14/668201214.db2.gz OMMYKXJYICVDHE-GFCCVEGCSA-N 1 0 348.411 -1.045 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)[nH]1 ZINC001027198056 668201058 /nfs/dbraw/zinc/20/10/58/668201058.db2.gz OMMYKXJYICVDHE-LBPRGKRZSA-N 1 0 348.411 -1.045 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]Cc3nncn3C)C2)c(=O)n1C ZINC001027198336 668200553 /nfs/dbraw/zinc/20/05/53/668200553.db2.gz UPHDPSVMBAOEFR-GFCCVEGCSA-N 1 0 348.411 -1.343 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]Cc3nncn3C)C2)c(=O)n1C ZINC001027198337 668200533 /nfs/dbraw/zinc/20/05/33/668200533.db2.gz UPHDPSVMBAOEFR-LBPRGKRZSA-N 1 0 348.411 -1.343 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)c(=O)n1C ZINC001027198447 668201076 /nfs/dbraw/zinc/20/10/76/668201076.db2.gz WWJPBHQVGFKDIO-GFCCVEGCSA-N 1 0 348.411 -1.343 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)c(=O)n1C ZINC001027198448 668201133 /nfs/dbraw/zinc/20/11/33/668201133.db2.gz WWJPBHQVGFKDIO-LBPRGKRZSA-N 1 0 348.411 -1.343 20 0 EAADRO Cn1nc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001027202999 668201354 /nfs/dbraw/zinc/20/13/54/668201354.db2.gz BVTNTYRAMNJWEQ-GHMZBOCLSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1nc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001027203000 668201083 /nfs/dbraw/zinc/20/10/83/668201083.db2.gz BVTNTYRAMNJWEQ-MNOVXSKESA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1nc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001027203001 668201173 /nfs/dbraw/zinc/20/11/73/668201173.db2.gz BVTNTYRAMNJWEQ-QWRGUYRKSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1nc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001027203002 668201117 /nfs/dbraw/zinc/20/11/17/668201117.db2.gz BVTNTYRAMNJWEQ-WDEREUQCSA-N 1 0 347.375 -1.363 20 0 EAADRO Cn1nnc(CNC[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001027203215 668201007 /nfs/dbraw/zinc/20/10/07/668201007.db2.gz INWIZJFCFYPQMX-JTQLQIEISA-N 1 0 332.368 -1.444 20 0 EAADRO Cn1nnc(CNC[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001027203216 668201205 /nfs/dbraw/zinc/20/12/05/668201205.db2.gz INWIZJFCFYPQMX-SNVBAGLBSA-N 1 0 332.368 -1.444 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc1=O ZINC001027204832 668201710 /nfs/dbraw/zinc/20/17/10/668201710.db2.gz TULRMDQYPLKMMA-SNVBAGLBSA-N 1 0 347.379 -1.546 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)nn1 ZINC001027205976 668202295 /nfs/dbraw/zinc/20/22/95/668202295.db2.gz AKZQWUSQOYIJNB-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001027205980 668202559 /nfs/dbraw/zinc/20/25/59/668202559.db2.gz AKZQWUSQOYIJNB-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001027205982 668202525 /nfs/dbraw/zinc/20/25/25/668202525.db2.gz AKZQWUSQOYIJNB-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)nn1 ZINC001027205984 668202267 /nfs/dbraw/zinc/20/22/67/668202267.db2.gz AKZQWUSQOYIJNB-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001027205985 668202464 /nfs/dbraw/zinc/20/24/64/668202464.db2.gz ALFJIBMLJWCHOS-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001027205987 668202432 /nfs/dbraw/zinc/20/24/32/668202432.db2.gz ALFJIBMLJWCHOS-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)C1=O ZINC001027206047 668202213 /nfs/dbraw/zinc/20/22/13/668202213.db2.gz AYGODGFBUJTJQE-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)C1=O ZINC001027206049 668202439 /nfs/dbraw/zinc/20/24/39/668202439.db2.gz AYGODGFBUJTJQE-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206065 668202347 /nfs/dbraw/zinc/20/23/47/668202347.db2.gz BIBRPMAHYDQBKQ-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206066 668202239 /nfs/dbraw/zinc/20/22/39/668202239.db2.gz BIBRPMAHYDQBKQ-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027206071 668202565 /nfs/dbraw/zinc/20/25/65/668202565.db2.gz BJCZVLGVCLIGRI-GHMZBOCLSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027206074 668202428 /nfs/dbraw/zinc/20/24/28/668202428.db2.gz BJCZVLGVCLIGRI-MNOVXSKESA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027206076 668202533 /nfs/dbraw/zinc/20/25/33/668202533.db2.gz BJCZVLGVCLIGRI-QWRGUYRKSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027206077 668202341 /nfs/dbraw/zinc/20/23/41/668202341.db2.gz BJCZVLGVCLIGRI-WDEREUQCSA-N 1 0 337.380 -1.745 20 0 EAADRO CCn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206089 668202395 /nfs/dbraw/zinc/20/23/95/668202395.db2.gz BRYIPUKIBNEQTB-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206090 668202451 /nfs/dbraw/zinc/20/24/51/668202451.db2.gz BRYIPUKIBNEQTB-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206092 668202403 /nfs/dbraw/zinc/20/24/03/668202403.db2.gz BSYDUCCEMWZJAE-JTQLQIEISA-N 1 0 336.352 -1.132 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206094 668202476 /nfs/dbraw/zinc/20/24/76/668202476.db2.gz BSYDUCCEMWZJAE-SNVBAGLBSA-N 1 0 336.352 -1.132 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001027206139 668202220 /nfs/dbraw/zinc/20/22/20/668202220.db2.gz COFVNJWKTIIGOB-LLVKDONJSA-N 1 0 332.364 -1.034 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001027206142 668202552 /nfs/dbraw/zinc/20/25/52/668202552.db2.gz COFVNJWKTIIGOB-NSHDSACASA-N 1 0 332.364 -1.034 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001027206143 668202258 /nfs/dbraw/zinc/20/22/58/668202258.db2.gz CPWGGTMZCKXZCF-GHMZBOCLSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001027206145 668202594 /nfs/dbraw/zinc/20/25/94/668202594.db2.gz CPWGGTMZCKXZCF-MNOVXSKESA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001027206147 668202262 /nfs/dbraw/zinc/20/22/62/668202262.db2.gz CPWGGTMZCKXZCF-QWRGUYRKSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001027206149 668202364 /nfs/dbraw/zinc/20/23/64/668202364.db2.gz CPWGGTMZCKXZCF-WDEREUQCSA-N 1 0 337.380 -1.793 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206171 668202490 /nfs/dbraw/zinc/20/24/90/668202490.db2.gz CVEQLSCOCZIMOR-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206173 668202578 /nfs/dbraw/zinc/20/25/78/668202578.db2.gz CVEQLSCOCZIMOR-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206203 668202255 /nfs/dbraw/zinc/20/22/55/668202255.db2.gz DDQRXHHYDJISQU-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206204 668202582 /nfs/dbraw/zinc/20/25/82/668202582.db2.gz DDQRXHHYDJISQU-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206223 668202573 /nfs/dbraw/zinc/20/25/73/668202573.db2.gz DNYMQIHTAKWUPT-JTQLQIEISA-N 1 0 336.352 -1.132 20 0 EAADRO Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206225 668202413 /nfs/dbraw/zinc/20/24/13/668202413.db2.gz DNYMQIHTAKWUPT-SNVBAGLBSA-N 1 0 336.352 -1.132 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)c1nncn1C ZINC001027206265 668202470 /nfs/dbraw/zinc/20/24/70/668202470.db2.gz FBORTXMKHFSWMC-GHMZBOCLSA-N 1 0 349.395 -1.134 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)c1nncn1C ZINC001027206266 668202446 /nfs/dbraw/zinc/20/24/46/668202446.db2.gz FBORTXMKHFSWMC-MNOVXSKESA-N 1 0 349.395 -1.134 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)c1nncn1C ZINC001027206267 668202318 /nfs/dbraw/zinc/20/23/18/668202318.db2.gz FBORTXMKHFSWMC-QWRGUYRKSA-N 1 0 349.395 -1.134 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)c1nncn1C ZINC001027206269 668202327 /nfs/dbraw/zinc/20/23/27/668202327.db2.gz FBORTXMKHFSWMC-WDEREUQCSA-N 1 0 349.395 -1.134 20 0 EAADRO CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001027206381 668202511 /nfs/dbraw/zinc/20/25/11/668202511.db2.gz GAUAGKFNPAZMRD-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001027206382 668202367 /nfs/dbraw/zinc/20/23/67/668202367.db2.gz GAUAGKFNPAZMRD-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)n1 ZINC001027206413 668202354 /nfs/dbraw/zinc/20/23/54/668202354.db2.gz GRLLLHFWRFAYNX-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)n1 ZINC001027206414 668202567 /nfs/dbraw/zinc/20/25/67/668202567.db2.gz GRLLLHFWRFAYNX-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206429 668202597 /nfs/dbraw/zinc/20/25/97/668202597.db2.gz HLGMSFGUXATGRS-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206430 668202230 /nfs/dbraw/zinc/20/22/30/668202230.db2.gz HLGMSFGUXATGRS-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027206457 668202419 /nfs/dbraw/zinc/20/24/19/668202419.db2.gz HZZVWANVJVCHCO-GHMZBOCLSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027206458 668202312 /nfs/dbraw/zinc/20/23/12/668202312.db2.gz HZZVWANVJVCHCO-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027206459 668202376 /nfs/dbraw/zinc/20/23/76/668202376.db2.gz HZZVWANVJVCHCO-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027206460 668202279 /nfs/dbraw/zinc/20/22/79/668202279.db2.gz HZZVWANVJVCHCO-WDEREUQCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001027206469 668202286 /nfs/dbraw/zinc/20/22/86/668202286.db2.gz IQBZWEZAOZFUNZ-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001027206470 668202248 /nfs/dbraw/zinc/20/22/48/668202248.db2.gz IQBZWEZAOZFUNZ-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206523 668202583 /nfs/dbraw/zinc/20/25/83/668202583.db2.gz JTRCGCZDXIKRGL-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206524 668202587 /nfs/dbraw/zinc/20/25/87/668202587.db2.gz JTRCGCZDXIKRGL-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206537 668202456 /nfs/dbraw/zinc/20/24/56/668202456.db2.gz JZWOVHHHBHNZMJ-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206538 668202503 /nfs/dbraw/zinc/20/25/03/668202503.db2.gz JZWOVHHHBHNZMJ-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)nn1 ZINC001027206663 668202484 /nfs/dbraw/zinc/20/24/84/668202484.db2.gz MRLYNZPNXDLIBR-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)nn1 ZINC001027206664 668202542 /nfs/dbraw/zinc/20/25/42/668202542.db2.gz MRLYNZPNXDLIBR-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206760 668202335 /nfs/dbraw/zinc/20/23/35/668202335.db2.gz OBAATNMRFWNFNX-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001027206761 668202494 /nfs/dbraw/zinc/20/24/94/668202494.db2.gz OBAATNMRFWNFNX-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206780 668202306 /nfs/dbraw/zinc/20/23/06/668202306.db2.gz OLFUSXUZRYGSJN-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206781 668202803 /nfs/dbraw/zinc/20/28/03/668202803.db2.gz OLFUSXUZRYGSJN-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001027206846 668202987 /nfs/dbraw/zinc/20/29/87/668202987.db2.gz QCHLMTBCMIBDCH-JTQLQIEISA-N 1 0 336.352 -1.098 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001027206847 668202972 /nfs/dbraw/zinc/20/29/72/668202972.db2.gz QCHLMTBCMIBDCH-SNVBAGLBSA-N 1 0 336.352 -1.098 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)n1 ZINC001027206862 668203081 /nfs/dbraw/zinc/20/30/81/668203081.db2.gz QMOAJFYYTIPGGQ-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001027206863 668202908 /nfs/dbraw/zinc/20/29/08/668202908.db2.gz QMOAJFYYTIPGGQ-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001027206864 668203112 /nfs/dbraw/zinc/20/31/12/668203112.db2.gz QMOAJFYYTIPGGQ-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)n1 ZINC001027206865 668202897 /nfs/dbraw/zinc/20/28/97/668202897.db2.gz QMOAJFYYTIPGGQ-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)cn1 ZINC001027206896 668202918 /nfs/dbraw/zinc/20/29/18/668202918.db2.gz RJPQJLFNIPXDDB-LLVKDONJSA-N 1 0 334.380 -1.090 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)cn1 ZINC001027206897 668203055 /nfs/dbraw/zinc/20/30/55/668203055.db2.gz RJPQJLFNIPXDDB-NSHDSACASA-N 1 0 334.380 -1.090 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027206906 668203137 /nfs/dbraw/zinc/20/31/37/668203137.db2.gz RQNBVEPMDZFNAE-GXSJLCMTSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027206907 668202924 /nfs/dbraw/zinc/20/29/24/668202924.db2.gz RQNBVEPMDZFNAE-KOLCDFICSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027206908 668203098 /nfs/dbraw/zinc/20/30/98/668203098.db2.gz RQNBVEPMDZFNAE-MWLCHTKSSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027206909 668202868 /nfs/dbraw/zinc/20/28/68/668202868.db2.gz RQNBVEPMDZFNAE-ONGXEEELSA-N 1 0 336.352 -1.004 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206942 668203006 /nfs/dbraw/zinc/20/30/06/668203006.db2.gz SGEXJQOHGXSOSG-SECBINFHSA-N 1 0 336.356 -2.300 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027206943 668203092 /nfs/dbraw/zinc/20/30/92/668203092.db2.gz SGEXJQOHGXSOSG-VIFPVBQESA-N 1 0 336.356 -2.300 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027206966 668203050 /nfs/dbraw/zinc/20/30/50/668203050.db2.gz SOGDZGOBHQUPPG-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027206967 668203105 /nfs/dbraw/zinc/20/31/05/668203105.db2.gz SOGDZGOBHQUPPG-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027206968 668202968 /nfs/dbraw/zinc/20/29/68/668202968.db2.gz SOGDZGOBHQUPPG-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027206969 668202800 /nfs/dbraw/zinc/20/28/00/668202800.db2.gz SOGDZGOBHQUPPG-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027207038 668202847 /nfs/dbraw/zinc/20/28/47/668202847.db2.gz UWQVBBRKZJGVRH-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027207039 668202892 /nfs/dbraw/zinc/20/28/92/668202892.db2.gz UWQVBBRKZJGVRH-NSHDSACASA-N 1 0 349.395 -1.212 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@H](C[NH2+]Cc3ncnn3C)C2)C1=O ZINC001027207125 668202885 /nfs/dbraw/zinc/20/28/85/668202885.db2.gz VAWXYCNUBZVZPL-LLVKDONJSA-N 1 0 349.395 -1.353 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3C)C2)C1=O ZINC001027207126 668202935 /nfs/dbraw/zinc/20/29/35/668202935.db2.gz VAWXYCNUBZVZPL-NSHDSACASA-N 1 0 349.395 -1.353 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001027207141 668203107 /nfs/dbraw/zinc/20/31/07/668203107.db2.gz VGVNARCDVHBOSE-JTQLQIEISA-N 1 0 335.368 -1.397 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001027207142 668202806 /nfs/dbraw/zinc/20/28/06/668202806.db2.gz VGVNARCDVHBOSE-SNVBAGLBSA-N 1 0 335.368 -1.397 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027207179 668202828 /nfs/dbraw/zinc/20/28/28/668202828.db2.gz WEZZQLCMORLHEJ-JTQLQIEISA-N 1 0 335.368 -1.695 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027207180 668203078 /nfs/dbraw/zinc/20/30/78/668203078.db2.gz WEZZQLCMORLHEJ-SNVBAGLBSA-N 1 0 335.368 -1.695 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)o1 ZINC001027207197 668203030 /nfs/dbraw/zinc/20/30/30/668203030.db2.gz WMYBKHXQQFYQFC-JTQLQIEISA-N 1 0 336.352 -1.132 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)o1 ZINC001027207198 668202817 /nfs/dbraw/zinc/20/28/17/668202817.db2.gz WMYBKHXQQFYQFC-SNVBAGLBSA-N 1 0 336.352 -1.132 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC001027207203 668202998 /nfs/dbraw/zinc/20/29/98/668202998.db2.gz WRDQMFUTFFTASI-GHMZBOCLSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1=O ZINC001027207204 668202963 /nfs/dbraw/zinc/20/29/63/668202963.db2.gz WRDQMFUTFFTASI-MNOVXSKESA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)C1=O ZINC001027207205 668202904 /nfs/dbraw/zinc/20/29/04/668202904.db2.gz WRDQMFUTFFTASI-QWRGUYRKSA-N 1 0 337.380 -1.793 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)C1=O ZINC001027207206 668202824 /nfs/dbraw/zinc/20/28/24/668202824.db2.gz WRDQMFUTFFTASI-WDEREUQCSA-N 1 0 337.380 -1.793 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)[nH]1 ZINC001027207269 668203024 /nfs/dbraw/zinc/20/30/24/668203024.db2.gz XYZLCQXUECLZKT-LLVKDONJSA-N 1 0 349.395 -1.055 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)[nH]1 ZINC001027207270 668203045 /nfs/dbraw/zinc/20/30/45/668203045.db2.gz XYZLCQXUECLZKT-NSHDSACASA-N 1 0 349.395 -1.055 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC001027207413 668202853 /nfs/dbraw/zinc/20/28/53/668202853.db2.gz BXCGVIBIDDALFW-LLVKDONJSA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC001027207414 668203069 /nfs/dbraw/zinc/20/30/69/668203069.db2.gz BXCGVIBIDDALFW-NSHDSACASA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207435 668202978 /nfs/dbraw/zinc/20/29/78/668202978.db2.gz CSUYVIBONYSQHK-LLVKDONJSA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207436 668203131 /nfs/dbraw/zinc/20/31/31/668203131.db2.gz CSUYVIBONYSQHK-NSHDSACASA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)n1 ZINC001027207437 668202995 /nfs/dbraw/zinc/20/29/95/668202995.db2.gz CTLZYXXSTHIVKC-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)n1 ZINC001027207438 668203059 /nfs/dbraw/zinc/20/30/59/668203059.db2.gz CTLZYXXSTHIVKC-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027207463 668202877 /nfs/dbraw/zinc/20/28/77/668202877.db2.gz DBXIBAWBTMLRCD-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027207464 668203011 /nfs/dbraw/zinc/20/30/11/668203011.db2.gz DBXIBAWBTMLRCD-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001027207489 668202827 /nfs/dbraw/zinc/20/28/27/668202827.db2.gz DOVDXRHICVSTOD-GHMZBOCLSA-N 1 0 346.391 -1.142 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001027207490 668203075 /nfs/dbraw/zinc/20/30/75/668203075.db2.gz DOVDXRHICVSTOD-MNOVXSKESA-N 1 0 346.391 -1.142 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001027207491 668203122 /nfs/dbraw/zinc/20/31/22/668203122.db2.gz DOVDXRHICVSTOD-QWRGUYRKSA-N 1 0 346.391 -1.142 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001027207492 668202812 /nfs/dbraw/zinc/20/28/12/668202812.db2.gz DOVDXRHICVSTOD-WDEREUQCSA-N 1 0 346.391 -1.142 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207497 668202837 /nfs/dbraw/zinc/20/28/37/668202837.db2.gz DTXXQUWHPAXSLD-LLVKDONJSA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207498 668203019 /nfs/dbraw/zinc/20/30/19/668203019.db2.gz DTXXQUWHPAXSLD-NSHDSACASA-N 1 0 334.380 -1.098 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027207645 668203117 /nfs/dbraw/zinc/20/31/17/668203117.db2.gz KDQZUPNKFBYLDT-GHMZBOCLSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027207646 668202862 /nfs/dbraw/zinc/20/28/62/668202862.db2.gz KDQZUPNKFBYLDT-MNOVXSKESA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027207647 668203121 /nfs/dbraw/zinc/20/31/21/668203121.db2.gz KDQZUPNKFBYLDT-QWRGUYRKSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027207648 668202958 /nfs/dbraw/zinc/20/29/58/668202958.db2.gz KDQZUPNKFBYLDT-WDEREUQCSA-N 1 0 346.391 -1.094 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027207651 668202999 /nfs/dbraw/zinc/20/29/99/668202999.db2.gz KFHBUPDTJXJKCW-SECBINFHSA-N 1 0 345.367 -1.649 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027207652 668203087 /nfs/dbraw/zinc/20/30/87/668203087.db2.gz KFHBUPDTJXJKCW-VIFPVBQESA-N 1 0 345.367 -1.649 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207727 668203524 /nfs/dbraw/zinc/20/35/24/668203524.db2.gz LSWXVGIHDJYYHF-LLVKDONJSA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207728 668203583 /nfs/dbraw/zinc/20/35/83/668203583.db2.gz LSWXVGIHDJYYHF-NSHDSACASA-N 1 0 334.380 -1.098 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001027207781 668201881 /nfs/dbraw/zinc/20/18/81/668201881.db2.gz NFBAPODXYZVCCJ-NEPJUHHUSA-N 1 0 336.392 -1.196 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001027207782 668201983 /nfs/dbraw/zinc/20/19/83/668201983.db2.gz NFBAPODXYZVCCJ-NWDGAFQWSA-N 1 0 336.392 -1.196 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001027207783 668201685 /nfs/dbraw/zinc/20/16/85/668201685.db2.gz NFBAPODXYZVCCJ-RYUDHWBXSA-N 1 0 336.392 -1.196 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001027207784 668201721 /nfs/dbraw/zinc/20/17/21/668201721.db2.gz NFBAPODXYZVCCJ-VXGBXAGGSA-N 1 0 336.392 -1.196 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)c1nnnn1C ZINC001027207815 668201956 /nfs/dbraw/zinc/20/19/56/668201956.db2.gz NXEGZPUINQGMMB-GHMZBOCLSA-N 1 0 349.395 -1.142 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)c1nnnn1C ZINC001027207816 668201614 /nfs/dbraw/zinc/20/16/14/668201614.db2.gz NXEGZPUINQGMMB-MNOVXSKESA-N 1 0 349.395 -1.142 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)c1nnnn1C ZINC001027207817 668201802 /nfs/dbraw/zinc/20/18/02/668201802.db2.gz NXEGZPUINQGMMB-QWRGUYRKSA-N 1 0 349.395 -1.142 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)c1nnnn1C ZINC001027207818 668201652 /nfs/dbraw/zinc/20/16/52/668201652.db2.gz NXEGZPUINQGMMB-WDEREUQCSA-N 1 0 349.395 -1.142 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207930 668201780 /nfs/dbraw/zinc/20/17/80/668201780.db2.gz PYXGGITXFUYYRG-JTQLQIEISA-N 1 0 335.368 -1.703 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027207931 668201902 /nfs/dbraw/zinc/20/19/02/668201902.db2.gz PYXGGITXFUYYRG-SNVBAGLBSA-N 1 0 335.368 -1.703 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027207966 668201986 /nfs/dbraw/zinc/20/19/86/668201986.db2.gz QZLNBSCOVQHXGZ-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027207967 668201868 /nfs/dbraw/zinc/20/18/68/668201868.db2.gz QZLNBSCOVQHXGZ-NWDGAFQWSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027207968 668201856 /nfs/dbraw/zinc/20/18/56/668201856.db2.gz QZLNBSCOVQHXGZ-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027207969 668201814 /nfs/dbraw/zinc/20/18/14/668201814.db2.gz QZLNBSCOVQHXGZ-VXGBXAGGSA-N 1 0 336.392 -1.148 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027208080 668201791 /nfs/dbraw/zinc/20/17/91/668201791.db2.gz UPCQOKNJISLBBQ-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027208081 668201979 /nfs/dbraw/zinc/20/19/79/668201979.db2.gz UPCQOKNJISLBBQ-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC001027208094 668201605 /nfs/dbraw/zinc/20/16/05/668201605.db2.gz VHSABKQKFTVKIO-LLVKDONJSA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC001027208095 668201960 /nfs/dbraw/zinc/20/19/60/668201960.db2.gz VHSABKQKFTVKIO-NSHDSACASA-N 1 0 334.380 -1.098 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027208116 668201969 /nfs/dbraw/zinc/20/19/69/668201969.db2.gz VSZFMXDSCQNVSO-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027208117 668201994 /nfs/dbraw/zinc/20/19/94/668201994.db2.gz VSZFMXDSCQNVSO-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027208152 668201873 /nfs/dbraw/zinc/20/18/73/668201873.db2.gz WMLLAXIFYXTDDG-GHMZBOCLSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027208153 668201738 /nfs/dbraw/zinc/20/17/38/668201738.db2.gz WMLLAXIFYXTDDG-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027208154 668201975 /nfs/dbraw/zinc/20/19/75/668201975.db2.gz WMLLAXIFYXTDDG-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027208155 668201965 /nfs/dbraw/zinc/20/19/65/668201965.db2.gz WMLLAXIFYXTDDG-WDEREUQCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)nn1 ZINC001027208170 668201689 /nfs/dbraw/zinc/20/16/89/668201689.db2.gz WVGNTCCGEUPGNY-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C2)nn1 ZINC001027208171 668201678 /nfs/dbraw/zinc/20/16/78/668201678.db2.gz WVGNTCCGEUPGNY-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027208212 668201731 /nfs/dbraw/zinc/20/17/31/668201731.db2.gz YEDBLCWZGPGBFJ-NXEZZACHSA-N 1 0 332.364 -1.484 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027208213 668201585 /nfs/dbraw/zinc/20/15/85/668201585.db2.gz YEDBLCWZGPGBFJ-UWVGGRQHSA-N 1 0 332.364 -1.484 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027208214 668201702 /nfs/dbraw/zinc/20/17/02/668201702.db2.gz YEDBLCWZGPGBFJ-VHSXEESVSA-N 1 0 332.364 -1.484 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027208215 668201952 /nfs/dbraw/zinc/20/19/52/668201952.db2.gz YEDBLCWZGPGBFJ-ZJUUUORDSA-N 1 0 332.364 -1.484 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)Cn3ccccc3=O)C2)nc1=O ZINC001027209447 668203463 /nfs/dbraw/zinc/20/34/63/668203463.db2.gz ABGRVEUCEBDAND-GFCCVEGCSA-N 1 0 346.391 -1.092 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)nc1=O ZINC001027209448 668203351 /nfs/dbraw/zinc/20/33/51/668203351.db2.gz ABGRVEUCEBDAND-LBPRGKRZSA-N 1 0 346.391 -1.092 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001027212514 668203458 /nfs/dbraw/zinc/20/34/58/668203458.db2.gz AFCITZRTLHIKIY-GXSJLCMTSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001027212515 668203339 /nfs/dbraw/zinc/20/33/39/668203339.db2.gz AFCITZRTLHIKIY-KOLCDFICSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001027212516 668203482 /nfs/dbraw/zinc/20/34/82/668203482.db2.gz AFCITZRTLHIKIY-MWLCHTKSSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001027212517 668203544 /nfs/dbraw/zinc/20/35/44/668203544.db2.gz AFCITZRTLHIKIY-ONGXEEELSA-N 1 0 335.364 -1.574 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027212574 668203366 /nfs/dbraw/zinc/20/33/66/668203366.db2.gz BHBBWFUCGYMXRT-SECBINFHSA-N 1 0 348.367 -1.739 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027212575 668203453 /nfs/dbraw/zinc/20/34/53/668203453.db2.gz BHBBWFUCGYMXRT-VIFPVBQESA-N 1 0 348.367 -1.739 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)n1 ZINC001027212639 668203440 /nfs/dbraw/zinc/20/34/40/668203440.db2.gz COECGJRATMNQOU-JTQLQIEISA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)n1 ZINC001027212640 668203578 /nfs/dbraw/zinc/20/35/78/668203578.db2.gz COECGJRATMNQOU-SNVBAGLBSA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)nn1 ZINC001027212689 668203425 /nfs/dbraw/zinc/20/34/25/668203425.db2.gz FKAFJMYRHLDTPQ-JTQLQIEISA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)nn1 ZINC001027212690 668203486 /nfs/dbraw/zinc/20/34/86/668203486.db2.gz FKAFJMYRHLDTPQ-SNVBAGLBSA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC001027213147 668203479 /nfs/dbraw/zinc/20/34/79/668203479.db2.gz OAXLPXDFESVLAF-CMPLNLGQSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC001027213148 668203641 /nfs/dbraw/zinc/20/36/41/668203641.db2.gz OAXLPXDFESVLAF-JQWIXIFHSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC001027213149 668203652 /nfs/dbraw/zinc/20/36/52/668203652.db2.gz OAXLPXDFESVLAF-PWSUYJOCSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC001027213150 668203521 /nfs/dbraw/zinc/20/35/21/668203521.db2.gz OAXLPXDFESVLAF-ZYHUDNBSSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027213151 668203618 /nfs/dbraw/zinc/20/36/18/668203618.db2.gz ODEIIXQRKKKKTQ-JTQLQIEISA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027213152 668203373 /nfs/dbraw/zinc/20/33/73/668203373.db2.gz ODEIIXQRKKKKTQ-SNVBAGLBSA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027213221 668203552 /nfs/dbraw/zinc/20/35/52/668203552.db2.gz QDOFPDSMXASUSO-JTQLQIEISA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027213222 668203511 /nfs/dbraw/zinc/20/35/11/668203511.db2.gz QDOFPDSMXASUSO-SNVBAGLBSA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027213569 668203555 /nfs/dbraw/zinc/20/35/55/668203555.db2.gz ZIGREAABIQNWPV-JTQLQIEISA-N 1 0 347.379 -1.134 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027213570 668203531 /nfs/dbraw/zinc/20/35/31/668203531.db2.gz ZIGREAABIQNWPV-SNVBAGLBSA-N 1 0 347.379 -1.134 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC001027214846 668203654 /nfs/dbraw/zinc/20/36/54/668203654.db2.gz YISMFELMQJQMIH-CMPLNLGQSA-N 1 0 349.391 -1.232 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC001027214847 668203473 /nfs/dbraw/zinc/20/34/73/668203473.db2.gz YISMFELMQJQMIH-JQWIXIFHSA-N 1 0 349.391 -1.232 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC001027214848 668203616 /nfs/dbraw/zinc/20/36/16/668203616.db2.gz YISMFELMQJQMIH-PWSUYJOCSA-N 1 0 349.391 -1.232 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC001027214849 668203547 /nfs/dbraw/zinc/20/35/47/668203547.db2.gz YISMFELMQJQMIH-ZYHUDNBSSA-N 1 0 349.391 -1.232 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027214926 668203435 /nfs/dbraw/zinc/20/34/35/668203435.db2.gz ADYVPVBWDVCAJW-NEPJUHHUSA-N 1 0 343.391 -1.007 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027214927 668203593 /nfs/dbraw/zinc/20/35/93/668203593.db2.gz ADYVPVBWDVCAJW-NWDGAFQWSA-N 1 0 343.391 -1.007 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027214928 668203609 /nfs/dbraw/zinc/20/36/09/668203609.db2.gz ADYVPVBWDVCAJW-RYUDHWBXSA-N 1 0 343.391 -1.007 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027214929 668203405 /nfs/dbraw/zinc/20/34/05/668203405.db2.gz ADYVPVBWDVCAJW-VXGBXAGGSA-N 1 0 343.391 -1.007 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001027219483 668204983 /nfs/dbraw/zinc/20/49/83/668204983.db2.gz DGEGBSIAVKJVHT-SECBINFHSA-N 1 0 332.368 -1.111 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001027219484 668204996 /nfs/dbraw/zinc/20/49/96/668204996.db2.gz DGEGBSIAVKJVHT-VIFPVBQESA-N 1 0 332.368 -1.111 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC001027219628 668205548 /nfs/dbraw/zinc/20/55/48/668205548.db2.gz FTIXPGZZVHMYAP-SECBINFHSA-N 1 0 347.379 -1.213 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC001027219629 668205586 /nfs/dbraw/zinc/20/55/86/668205586.db2.gz FTIXPGZZVHMYAP-VIFPVBQESA-N 1 0 347.379 -1.213 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001027220761 668203948 /nfs/dbraw/zinc/20/39/48/668203948.db2.gz YTIIVYSJVKOQNS-GXSJLCMTSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001027220762 668204087 /nfs/dbraw/zinc/20/40/87/668204087.db2.gz YTIIVYSJVKOQNS-KOLCDFICSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001027220763 668203954 /nfs/dbraw/zinc/20/39/54/668203954.db2.gz YTIIVYSJVKOQNS-MWLCHTKSSA-N 1 0 347.375 -1.030 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001027220764 668204051 /nfs/dbraw/zinc/20/40/51/668204051.db2.gz YTIIVYSJVKOQNS-ONGXEEELSA-N 1 0 347.375 -1.030 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027222095 668203958 /nfs/dbraw/zinc/20/39/58/668203958.db2.gz AOYZILLAFWCILD-GXSJLCMTSA-N 1 0 329.382 -1.301 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027222096 668204074 /nfs/dbraw/zinc/20/40/74/668204074.db2.gz AOYZILLAFWCILD-KOLCDFICSA-N 1 0 329.382 -1.301 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027222097 668203971 /nfs/dbraw/zinc/20/39/71/668203971.db2.gz AOYZILLAFWCILD-MWLCHTKSSA-N 1 0 329.382 -1.301 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027222098 668204025 /nfs/dbraw/zinc/20/40/25/668204025.db2.gz AOYZILLAFWCILD-ONGXEEELSA-N 1 0 329.382 -1.301 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027222316 668204495 /nfs/dbraw/zinc/20/44/95/668204495.db2.gz DMHMQTLVPQDKTJ-GHMZBOCLSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027222317 668204524 /nfs/dbraw/zinc/20/45/24/668204524.db2.gz DMHMQTLVPQDKTJ-MNOVXSKESA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027222318 668204556 /nfs/dbraw/zinc/20/45/56/668204556.db2.gz DMHMQTLVPQDKTJ-QWRGUYRKSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027222319 668204457 /nfs/dbraw/zinc/20/44/57/668204457.db2.gz DMHMQTLVPQDKTJ-WDEREUQCSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027222437 668204488 /nfs/dbraw/zinc/20/44/88/668204488.db2.gz GGQUYERLNKSTSY-CMPLNLGQSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027222438 668204577 /nfs/dbraw/zinc/20/45/77/668204577.db2.gz GGQUYERLNKSTSY-JQWIXIFHSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027222439 668204573 /nfs/dbraw/zinc/20/45/73/668204573.db2.gz GGQUYERLNKSTSY-PWSUYJOCSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027222440 668204594 /nfs/dbraw/zinc/20/45/94/668204594.db2.gz GGQUYERLNKSTSY-ZYHUDNBSSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC001027222988 668204960 /nfs/dbraw/zinc/20/49/60/668204960.db2.gz NSDWCHRZZUYVCU-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC001027222989 668205026 /nfs/dbraw/zinc/20/50/26/668205026.db2.gz NSDWCHRZZUYVCU-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001027223113 668205032 /nfs/dbraw/zinc/20/50/32/668205032.db2.gz QKZLWHULVWPFJP-CMPLNLGQSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001027223114 668205128 /nfs/dbraw/zinc/20/51/28/668205128.db2.gz QKZLWHULVWPFJP-JQWIXIFHSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001027223115 668205002 /nfs/dbraw/zinc/20/50/02/668205002.db2.gz QKZLWHULVWPFJP-PWSUYJOCSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001027223116 668205073 /nfs/dbraw/zinc/20/50/73/668205073.db2.gz QKZLWHULVWPFJP-ZYHUDNBSSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027223168 668204953 /nfs/dbraw/zinc/20/49/53/668204953.db2.gz QYECLRLPZRELPW-GHMZBOCLSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027223169 668204900 /nfs/dbraw/zinc/20/49/00/668204900.db2.gz QYECLRLPZRELPW-MNOVXSKESA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027223170 668205019 /nfs/dbraw/zinc/20/50/19/668205019.db2.gz QYECLRLPZRELPW-QWRGUYRKSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027223171 668204973 /nfs/dbraw/zinc/20/49/73/668204973.db2.gz QYECLRLPZRELPW-WDEREUQCSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027223278 668204989 /nfs/dbraw/zinc/20/49/89/668204989.db2.gz TZGQCOJEUKKGRR-NXEZZACHSA-N 1 0 343.413 -2.160 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027223279 668205067 /nfs/dbraw/zinc/20/50/67/668205067.db2.gz TZGQCOJEUKKGRR-UWVGGRQHSA-N 1 0 343.413 -2.160 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027223280 668205086 /nfs/dbraw/zinc/20/50/86/668205086.db2.gz TZGQCOJEUKKGRR-VHSXEESVSA-N 1 0 343.413 -2.160 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027223281 668205165 /nfs/dbraw/zinc/20/51/65/668205165.db2.gz TZGQCOJEUKKGRR-ZJUUUORDSA-N 1 0 343.413 -2.160 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001027223334 668205113 /nfs/dbraw/zinc/20/51/13/668205113.db2.gz VEKASSUSMBSBAY-CMPLNLGQSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001027223335 668205123 /nfs/dbraw/zinc/20/51/23/668205123.db2.gz VEKASSUSMBSBAY-JQWIXIFHSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001027223336 668204910 /nfs/dbraw/zinc/20/49/10/668204910.db2.gz VEKASSUSMBSBAY-PWSUYJOCSA-N 1 0 342.425 -1.555 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001027223337 668205147 /nfs/dbraw/zinc/20/51/47/668205147.db2.gz VEKASSUSMBSBAY-ZYHUDNBSSA-N 1 0 342.425 -1.555 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001027223598 668205102 /nfs/dbraw/zinc/20/51/02/668205102.db2.gz ZMFGXBHUSRNOPS-GHMZBOCLSA-N 1 0 342.425 -1.257 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001027223599 668205141 /nfs/dbraw/zinc/20/51/41/668205141.db2.gz ZMFGXBHUSRNOPS-MNOVXSKESA-N 1 0 342.425 -1.257 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001027223600 668205039 /nfs/dbraw/zinc/20/50/39/668205039.db2.gz ZMFGXBHUSRNOPS-QWRGUYRKSA-N 1 0 342.425 -1.257 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001027223601 668204921 /nfs/dbraw/zinc/20/49/21/668204921.db2.gz ZMFGXBHUSRNOPS-WDEREUQCSA-N 1 0 342.425 -1.257 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001027225558 668206057 /nfs/dbraw/zinc/20/60/57/668206057.db2.gz NIVBDCRGFXIFLQ-GHMZBOCLSA-N 1 0 342.425 -1.275 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001027225559 668205778 /nfs/dbraw/zinc/20/57/78/668205778.db2.gz NIVBDCRGFXIFLQ-MNOVXSKESA-N 1 0 342.425 -1.275 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001027225560 668206086 /nfs/dbraw/zinc/20/60/86/668206086.db2.gz NIVBDCRGFXIFLQ-QWRGUYRKSA-N 1 0 342.425 -1.275 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001027225561 668205913 /nfs/dbraw/zinc/20/59/13/668205913.db2.gz NIVBDCRGFXIFLQ-WDEREUQCSA-N 1 0 342.425 -1.275 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227855 668206576 /nfs/dbraw/zinc/20/65/76/668206576.db2.gz FORHGNOCSISIBR-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227856 668206499 /nfs/dbraw/zinc/20/64/99/668206499.db2.gz FORHGNOCSISIBR-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227857 668206411 /nfs/dbraw/zinc/20/64/11/668206411.db2.gz FORHGNOCSISIBR-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227858 668206376 /nfs/dbraw/zinc/20/63/76/668206376.db2.gz FORHGNOCSISIBR-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC001027231387 668207975 /nfs/dbraw/zinc/20/79/75/668207975.db2.gz RYKXDAZQZYTNHU-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC001027231388 668207856 /nfs/dbraw/zinc/20/78/56/668207856.db2.gz RYKXDAZQZYTNHU-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001027234628 668207799 /nfs/dbraw/zinc/20/77/99/668207799.db2.gz ARBQGYVANRGLCR-NXEZZACHSA-N 1 0 335.368 -2.296 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001027234629 668207950 /nfs/dbraw/zinc/20/79/50/668207950.db2.gz ARBQGYVANRGLCR-UWVGGRQHSA-N 1 0 335.368 -2.296 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001027234630 668208039 /nfs/dbraw/zinc/20/80/39/668208039.db2.gz ARBQGYVANRGLCR-VHSXEESVSA-N 1 0 335.368 -2.296 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001027234631 668207807 /nfs/dbraw/zinc/20/78/07/668207807.db2.gz ARBQGYVANRGLCR-ZJUUUORDSA-N 1 0 335.368 -2.296 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001027234646 668207906 /nfs/dbraw/zinc/20/79/06/668207906.db2.gz BBUPTOMXBCOTGB-JTQLQIEISA-N 1 0 347.383 -1.558 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001027234647 668207818 /nfs/dbraw/zinc/20/78/18/668207818.db2.gz BBUPTOMXBCOTGB-SNVBAGLBSA-N 1 0 347.383 -1.558 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027234737 668207834 /nfs/dbraw/zinc/20/78/34/668207834.db2.gz DBSIIBGAZVGVNY-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027234738 668208001 /nfs/dbraw/zinc/20/80/01/668208001.db2.gz DBSIIBGAZVGVNY-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001027234811 668207811 /nfs/dbraw/zinc/20/78/11/668207811.db2.gz FSBCCBCVFNZXJD-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001027234812 668207930 /nfs/dbraw/zinc/20/79/30/668207930.db2.gz FSBCCBCVFNZXJD-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ncccn3)C2)nn1 ZINC001027234853 668207935 /nfs/dbraw/zinc/20/79/35/668207935.db2.gz GOTRHQPNDKSVFA-LLVKDONJSA-N 1 0 344.379 -1.195 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ncccn3)C2)nn1 ZINC001027234854 668208022 /nfs/dbraw/zinc/20/80/22/668208022.db2.gz GOTRHQPNDKSVFA-NSHDSACASA-N 1 0 344.379 -1.195 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)o1 ZINC001027235151 668209847 /nfs/dbraw/zinc/20/98/47/668209847.db2.gz LJQORAFBCNCOPU-JTQLQIEISA-N 1 0 348.367 -1.293 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)o1 ZINC001027235152 668209881 /nfs/dbraw/zinc/20/98/81/668209881.db2.gz LJQORAFBCNCOPU-SNVBAGLBSA-N 1 0 348.367 -1.293 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235157 668209648 /nfs/dbraw/zinc/20/96/48/668209648.db2.gz LKZMLKCLAHSUEI-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235158 668209786 /nfs/dbraw/zinc/20/97/86/668209786.db2.gz LKZMLKCLAHSUEI-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001027235256 668209519 /nfs/dbraw/zinc/20/95/19/668209519.db2.gz NPSPYUQURVVCGH-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001027235257 668209499 /nfs/dbraw/zinc/20/94/99/668209499.db2.gz NPSPYUQURVVCGH-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)nn1 ZINC001027235262 668209803 /nfs/dbraw/zinc/20/98/03/668209803.db2.gz NYSYYLSYJXGROD-SECBINFHSA-N 1 0 334.340 -1.602 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)nn1 ZINC001027235263 668209726 /nfs/dbraw/zinc/20/97/26/668209726.db2.gz NYSYYLSYJXGROD-VIFPVBQESA-N 1 0 334.340 -1.602 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235282 668209525 /nfs/dbraw/zinc/20/95/25/668209525.db2.gz OIXPAIUSLACALE-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235283 668209616 /nfs/dbraw/zinc/20/96/16/668209616.db2.gz OIXPAIUSLACALE-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001027235302 668209864 /nfs/dbraw/zinc/20/98/64/668209864.db2.gz OVDAMIHCQHJNRJ-GHMZBOCLSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001027235303 668209765 /nfs/dbraw/zinc/20/97/65/668209765.db2.gz OVDAMIHCQHJNRJ-MNOVXSKESA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001027235304 668209626 /nfs/dbraw/zinc/20/96/26/668209626.db2.gz OVDAMIHCQHJNRJ-QWRGUYRKSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001027235305 668209736 /nfs/dbraw/zinc/20/97/36/668209736.db2.gz OVDAMIHCQHJNRJ-WDEREUQCSA-N 1 0 349.395 -1.906 20 0 EAADRO Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001027235310 668209813 /nfs/dbraw/zinc/20/98/13/668209813.db2.gz OXTGYFGIZSQTTJ-JTQLQIEISA-N 1 0 348.367 -1.293 20 0 EAADRO Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001027235311 668209597 /nfs/dbraw/zinc/20/95/97/668209597.db2.gz OXTGYFGIZSQTTJ-SNVBAGLBSA-N 1 0 348.367 -1.293 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235396 668207779 /nfs/dbraw/zinc/20/77/79/668207779.db2.gz QOROCCREKGPQFM-SECBINFHSA-N 1 0 348.371 -2.461 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235397 668208013 /nfs/dbraw/zinc/20/80/13/668208013.db2.gz QOROCCREKGPQFM-VIFPVBQESA-N 1 0 348.371 -2.461 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC001027235402 668208005 /nfs/dbraw/zinc/20/80/05/668208005.db2.gz QSYVJCGVLWBEMD-NEPJUHHUSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+]C[C@H]3CCOC3)C2)nn1 ZINC001027235403 668207921 /nfs/dbraw/zinc/20/79/21/668207921.db2.gz QSYVJCGVLWBEMD-NWDGAFQWSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC001027235404 668207954 /nfs/dbraw/zinc/20/79/54/668207954.db2.gz QSYVJCGVLWBEMD-RYUDHWBXSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH2+]C[C@H]3CCOC3)C2)nn1 ZINC001027235405 668208020 /nfs/dbraw/zinc/20/80/20/668208020.db2.gz QSYVJCGVLWBEMD-VXGBXAGGSA-N 1 0 336.396 -1.148 20 0 EAADRO Cc1nonc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235605 668208515 /nfs/dbraw/zinc/20/85/15/668208515.db2.gz SUMYCFQOXKQFRW-JTQLQIEISA-N 1 0 348.367 -1.293 20 0 EAADRO Cc1nonc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235606 668208544 /nfs/dbraw/zinc/20/85/44/668208544.db2.gz SUMYCFQOXKQFRW-SNVBAGLBSA-N 1 0 348.367 -1.293 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001027235619 668208386 /nfs/dbraw/zinc/20/83/86/668208386.db2.gz TWASKQPQCFKAES-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001027235620 668208578 /nfs/dbraw/zinc/20/85/78/668208578.db2.gz TWASKQPQCFKAES-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235772 668208569 /nfs/dbraw/zinc/20/85/69/668208569.db2.gz VDUCLSISPOLIAC-JTQLQIEISA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235773 668208594 /nfs/dbraw/zinc/20/85/94/668208594.db2.gz VDUCLSISPOLIAC-SNVBAGLBSA-N 1 0 347.383 -1.856 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235812 668208496 /nfs/dbraw/zinc/20/84/96/668208496.db2.gz WEEZPWIUNPFMPT-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235813 668208603 /nfs/dbraw/zinc/20/86/03/668208603.db2.gz WEEZPWIUNPFMPT-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235843 668208485 /nfs/dbraw/zinc/20/84/85/668208485.db2.gz WSNJCVLWSIHMJE-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027235844 668208658 /nfs/dbraw/zinc/20/86/58/668208658.db2.gz WSNJCVLWSIHMJE-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001027235917 668208612 /nfs/dbraw/zinc/20/86/12/668208612.db2.gz YJINWEVRNZXVIV-LLVKDONJSA-N 1 0 346.395 -1.251 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001027235918 668208351 /nfs/dbraw/zinc/20/83/51/668208351.db2.gz YJINWEVRNZXVIV-NSHDSACASA-N 1 0 346.395 -1.251 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001027236007 668208531 /nfs/dbraw/zinc/20/85/31/668208531.db2.gz ZUYOHSVOFGNFMG-GHMZBOCLSA-N 1 0 349.395 -1.954 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001027236008 668208449 /nfs/dbraw/zinc/20/84/49/668208449.db2.gz ZUYOHSVOFGNFMG-MNOVXSKESA-N 1 0 349.395 -1.954 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001027236009 668208627 /nfs/dbraw/zinc/20/86/27/668208627.db2.gz ZUYOHSVOFGNFMG-QWRGUYRKSA-N 1 0 349.395 -1.954 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001027236010 668208430 /nfs/dbraw/zinc/20/84/30/668208430.db2.gz ZUYOHSVOFGNFMG-WDEREUQCSA-N 1 0 349.395 -1.954 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC001027238189 668209078 /nfs/dbraw/zinc/20/90/78/668209078.db2.gz BOPSRSAKYNCQGS-JTQLQIEISA-N 1 0 349.395 -1.603 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC001027238190 668209162 /nfs/dbraw/zinc/20/91/62/668209162.db2.gz BOPSRSAKYNCQGS-SNVBAGLBSA-N 1 0 349.395 -1.603 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001027238570 668209712 /nfs/dbraw/zinc/20/97/12/668209712.db2.gz JVQNDXQSKMBFLM-GHMZBOCLSA-N 1 0 349.391 -1.419 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001027238571 668209719 /nfs/dbraw/zinc/20/97/19/668209719.db2.gz JVQNDXQSKMBFLM-MNOVXSKESA-N 1 0 349.391 -1.419 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001027238572 668209771 /nfs/dbraw/zinc/20/97/71/668209771.db2.gz JVQNDXQSKMBFLM-QWRGUYRKSA-N 1 0 349.391 -1.419 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001027238573 668209705 /nfs/dbraw/zinc/20/97/05/668209705.db2.gz JVQNDXQSKMBFLM-WDEREUQCSA-N 1 0 349.391 -1.419 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001027238819 668209606 /nfs/dbraw/zinc/20/96/06/668209606.db2.gz NSIIQILWJXGSRU-JTQLQIEISA-N 1 0 334.384 -1.501 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001027238820 668209824 /nfs/dbraw/zinc/20/98/24/668209824.db2.gz NSIIQILWJXGSRU-SNVBAGLBSA-N 1 0 334.384 -1.501 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC001027240685 668209654 /nfs/dbraw/zinc/20/96/54/668209654.db2.gz FEGPCYKZAOYLDX-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC001027240686 668209869 /nfs/dbraw/zinc/20/98/69/668209869.db2.gz FEGPCYKZAOYLDX-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001027244832 668210163 /nfs/dbraw/zinc/21/01/63/668210163.db2.gz XQJSZZSBZGVMIO-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001027244833 668210383 /nfs/dbraw/zinc/21/03/83/668210383.db2.gz XQJSZZSBZGVMIO-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001027245719 668210374 /nfs/dbraw/zinc/21/03/74/668210374.db2.gz CCTCFMYWLSBANX-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001027245720 668210176 /nfs/dbraw/zinc/21/01/76/668210176.db2.gz CCTCFMYWLSBANX-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001027246542 668210242 /nfs/dbraw/zinc/21/02/42/668210242.db2.gz CUESJIMDXNRUIS-MNOVXSKESA-N 1 0 336.400 -1.309 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001027246546 668210103 /nfs/dbraw/zinc/21/01/03/668210103.db2.gz CUESJIMDXNRUIS-QWRGUYRKSA-N 1 0 336.400 -1.309 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001027248650 668210501 /nfs/dbraw/zinc/21/05/01/668210501.db2.gz AVWDFGLFLCBJHS-AAEUAGOBSA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001027248651 668210124 /nfs/dbraw/zinc/21/01/24/668210124.db2.gz AVWDFGLFLCBJHS-DGCLKSJQSA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001027248652 668210218 /nfs/dbraw/zinc/21/02/18/668210218.db2.gz AVWDFGLFLCBJHS-WCQYABFASA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001027248653 668210092 /nfs/dbraw/zinc/21/00/92/668210092.db2.gz AVWDFGLFLCBJHS-YPMHNXCESA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001027248992 668210149 /nfs/dbraw/zinc/21/01/49/668210149.db2.gz INLVGWMIFYHNKX-LLVKDONJSA-N 1 0 348.411 -1.192 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001027248993 668210474 /nfs/dbraw/zinc/21/04/74/668210474.db2.gz INLVGWMIFYHNKX-NSHDSACASA-N 1 0 348.411 -1.192 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)nn1 ZINC001027249650 668210833 /nfs/dbraw/zinc/21/08/33/668210833.db2.gz YKBFCTPCDLEIIV-LLVKDONJSA-N 1 0 333.400 -1.091 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)nn1 ZINC001027249651 668210749 /nfs/dbraw/zinc/21/07/49/668210749.db2.gz YKBFCTPCDLEIIV-NSHDSACASA-N 1 0 333.400 -1.091 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250060 668210258 /nfs/dbraw/zinc/21/02/58/668210258.db2.gz JLFJBUCSAOBRSV-NXEZZACHSA-N 1 0 335.368 -1.799 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250061 668210097 /nfs/dbraw/zinc/21/00/97/668210097.db2.gz JLFJBUCSAOBRSV-UWVGGRQHSA-N 1 0 335.368 -1.799 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250062 668210316 /nfs/dbraw/zinc/21/03/16/668210316.db2.gz JLFJBUCSAOBRSV-VHSXEESVSA-N 1 0 335.368 -1.799 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250063 668210154 /nfs/dbraw/zinc/21/01/54/668210154.db2.gz JLFJBUCSAOBRSV-ZJUUUORDSA-N 1 0 335.368 -1.799 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250262 668210431 /nfs/dbraw/zinc/21/04/31/668210431.db2.gz NJWPRKLDFRKIAH-GHMZBOCLSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250263 668210876 /nfs/dbraw/zinc/21/08/76/668210876.db2.gz NJWPRKLDFRKIAH-MNOVXSKESA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250264 668210739 /nfs/dbraw/zinc/21/07/39/668210739.db2.gz NJWPRKLDFRKIAH-QWRGUYRKSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250265 668211076 /nfs/dbraw/zinc/21/10/76/668211076.db2.gz NJWPRKLDFRKIAH-WDEREUQCSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250268 668211026 /nfs/dbraw/zinc/21/10/26/668211026.db2.gz NOYSHOGDRSWQHP-GHMZBOCLSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250269 668211053 /nfs/dbraw/zinc/21/10/53/668211053.db2.gz NOYSHOGDRSWQHP-MNOVXSKESA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250270 668210997 /nfs/dbraw/zinc/21/09/97/668210997.db2.gz NOYSHOGDRSWQHP-QWRGUYRKSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250271 668210880 /nfs/dbraw/zinc/21/08/80/668210880.db2.gz NOYSHOGDRSWQHP-WDEREUQCSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC001027250330 668211047 /nfs/dbraw/zinc/21/10/47/668211047.db2.gz OTYICFOJKDWNQC-GHMZBOCLSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC001027250331 668210792 /nfs/dbraw/zinc/21/07/92/668210792.db2.gz OTYICFOJKDWNQC-MNOVXSKESA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC001027250332 668210867 /nfs/dbraw/zinc/21/08/67/668210867.db2.gz OTYICFOJKDWNQC-QWRGUYRKSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC001027250333 668210803 /nfs/dbraw/zinc/21/08/03/668210803.db2.gz OTYICFOJKDWNQC-WDEREUQCSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC001027250692 668210988 /nfs/dbraw/zinc/21/09/88/668210988.db2.gz WSXATDWHNKYKFE-GHMZBOCLSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC001027250693 668210971 /nfs/dbraw/zinc/21/09/71/668210971.db2.gz WSXATDWHNKYKFE-MNOVXSKESA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC001027250694 668211078 /nfs/dbraw/zinc/21/10/78/668211078.db2.gz WSXATDWHNKYKFE-QWRGUYRKSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC001027250695 668211039 /nfs/dbraw/zinc/21/10/39/668211039.db2.gz WSXATDWHNKYKFE-WDEREUQCSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250726 668211094 /nfs/dbraw/zinc/21/10/94/668211094.db2.gz XHGBDAIWOIRREA-GHMZBOCLSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250727 668210775 /nfs/dbraw/zinc/21/07/75/668210775.db2.gz XHGBDAIWOIRREA-MNOVXSKESA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027250728 668211016 /nfs/dbraw/zinc/21/10/16/668211016.db2.gz XHGBDAIWOIRREA-QWRGUYRKSA-N 1 0 334.380 -1.194 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027250729 668211132 /nfs/dbraw/zinc/21/11/32/668211132.db2.gz XHGBDAIWOIRREA-WDEREUQCSA-N 1 0 334.380 -1.194 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1)N1CCOCC1 ZINC001027252652 668210942 /nfs/dbraw/zinc/21/09/42/668210942.db2.gz ZLSBESQBRPRZLO-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1)N1CCOCC1 ZINC001027252653 668210726 /nfs/dbraw/zinc/21/07/26/668210726.db2.gz ZLSBESQBRPRZLO-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001027253189 668210785 /nfs/dbraw/zinc/21/07/85/668210785.db2.gz MBQQIODXSJBIEH-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001027253190 668211119 /nfs/dbraw/zinc/21/11/19/668211119.db2.gz MBQQIODXSJBIEH-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnc(CNC[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C2)n1 ZINC001027253749 668211322 /nfs/dbraw/zinc/21/13/22/668211322.db2.gz HJOJSHYRYXQKAD-JTQLQIEISA-N 1 0 344.379 -1.044 20 0 EAADRO Cn1nnc(CNC[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C2)n1 ZINC001027253750 668211668 /nfs/dbraw/zinc/21/16/68/668211668.db2.gz HJOJSHYRYXQKAD-SNVBAGLBSA-N 1 0 344.379 -1.044 20 0 EAADRO COCC(=O)N1CCC[C@@H](N(C)CC(=O)N2CCNC(=O)C2)C1 ZINC001027259642 668212646 /nfs/dbraw/zinc/21/26/46/668212646.db2.gz QMIHOYYFWWSINX-GFCCVEGCSA-N 1 0 326.397 -1.486 20 0 EAADRO COCC(=O)N1CCC[C@H](N(C)CC(=O)N2CCNC(=O)C2)C1 ZINC001027259643 668212750 /nfs/dbraw/zinc/21/27/50/668212750.db2.gz QMIHOYYFWWSINX-LBPRGKRZSA-N 1 0 326.397 -1.486 20 0 EAADRO C[N@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027289633 668215320 /nfs/dbraw/zinc/21/53/20/668215320.db2.gz FZOGZDXKPNJNJF-GFCCVEGCSA-N 1 0 336.400 -1.379 20 0 EAADRO 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349.395 -1.305 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001029049380 668832153 /nfs/dbraw/zinc/83/21/53/668832153.db2.gz BXZYDHCZGNYHFZ-PWSUYJOCSA-N 1 0 349.395 -1.305 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001029049381 668832268 /nfs/dbraw/zinc/83/22/68/668832268.db2.gz BXZYDHCZGNYHFZ-ZYHUDNBSSA-N 1 0 349.395 -1.305 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001029050197 668832570 /nfs/dbraw/zinc/83/25/70/668832570.db2.gz PZIMDZCDCOHOSM-JTQLQIEISA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001029050198 668832531 /nfs/dbraw/zinc/83/25/31/668832531.db2.gz PZIMDZCDCOHOSM-SNVBAGLBSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001029051064 668832540 /nfs/dbraw/zinc/83/25/40/668832540.db2.gz YWBQGOSLQZLNDV-JTQLQIEISA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001029051065 668832601 /nfs/dbraw/zinc/83/26/01/668832601.db2.gz YWBQGOSLQZLNDV-SNVBAGLBSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001029060077 668832580 /nfs/dbraw/zinc/83/25/80/668832580.db2.gz ZDRQUMPTPZRZSU-JTQLQIEISA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001029060078 668832549 /nfs/dbraw/zinc/83/25/49/668832549.db2.gz ZDRQUMPTPZRZSU-SNVBAGLBSA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001029087539 668834223 /nfs/dbraw/zinc/83/42/23/668834223.db2.gz RZDSHYRYCKKJIJ-JTQLQIEISA-N 1 0 349.399 -1.076 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001029087540 668834059 /nfs/dbraw/zinc/83/40/59/668834059.db2.gz RZDSHYRYCKKJIJ-SNVBAGLBSA-N 1 0 349.399 -1.076 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001029098993 668835141 /nfs/dbraw/zinc/83/51/41/668835141.db2.gz GUTQBOUIFPYZTL-JTQLQIEISA-N 1 0 334.388 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ZINC001029100196 668835540 /nfs/dbraw/zinc/83/55/40/668835540.db2.gz DVMOPKWLVJNNPZ-PWSUYJOCSA-N 1 0 349.395 -1.305 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001029100197 668835413 /nfs/dbraw/zinc/83/54/13/668835413.db2.gz DVMOPKWLVJNNPZ-ZYHUDNBSSA-N 1 0 349.395 -1.305 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029128514 668836086 /nfs/dbraw/zinc/83/60/86/668836086.db2.gz ARQLQIGYDCWRHZ-GXSJLCMTSA-N 1 0 349.395 -1.154 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029128515 668836173 /nfs/dbraw/zinc/83/61/73/668836173.db2.gz ARQLQIGYDCWRHZ-KOLCDFICSA-N 1 0 349.395 -1.154 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029128517 668836111 /nfs/dbraw/zinc/83/61/11/668836111.db2.gz ARQLQIGYDCWRHZ-MWLCHTKSSA-N 1 0 349.395 -1.154 20 0 EAADRO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029128518 668836130 /nfs/dbraw/zinc/83/61/30/668836130.db2.gz ARQLQIGYDCWRHZ-ONGXEEELSA-N 1 0 349.395 -1.154 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029128836 668836060 /nfs/dbraw/zinc/83/60/60/668836060.db2.gz FTLDUAXYZLAIDE-SECBINFHSA-N 1 0 334.388 -1.236 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029128838 668836176 /nfs/dbraw/zinc/83/61/76/668836176.db2.gz FTLDUAXYZLAIDE-VIFPVBQESA-N 1 0 334.388 -1.236 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029130140 668836163 /nfs/dbraw/zinc/83/61/63/668836163.db2.gz RKMOGARFQMUMDE-SECBINFHSA-N 1 0 349.399 -1.338 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001029130141 668836145 /nfs/dbraw/zinc/83/61/45/668836145.db2.gz RKMOGARFQMUMDE-VIFPVBQESA-N 1 0 349.399 -1.338 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001029137529 668836025 /nfs/dbraw/zinc/83/60/25/668836025.db2.gz SXBXBOBBDATAAA-GXSJLCMTSA-N 1 0 336.400 -1.392 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001029137531 668836036 /nfs/dbraw/zinc/83/60/36/668836036.db2.gz SXBXBOBBDATAAA-KOLCDFICSA-N 1 0 336.400 -1.392 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001029137533 668836089 /nfs/dbraw/zinc/83/60/89/668836089.db2.gz SXBXBOBBDATAAA-MWLCHTKSSA-N 1 0 336.400 -1.392 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001029137535 668836131 /nfs/dbraw/zinc/83/61/31/668836131.db2.gz SXBXBOBBDATAAA-ONGXEEELSA-N 1 0 336.400 -1.392 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cccn1 ZINC001029207595 668837699 /nfs/dbraw/zinc/83/76/99/668837699.db2.gz YSGRMVMNUXATKX-HZSPNIEDSA-N 1 0 346.395 -1.394 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001029207596 668837837 /nfs/dbraw/zinc/83/78/37/668837837.db2.gz YSGRMVMNUXATKX-MJBXVCDLSA-N 1 0 346.395 -1.394 20 0 EAADRO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CN1CCCC1=O 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668967181 /nfs/dbraw/zinc/96/71/81/668967181.db2.gz CFLKNBRUIUIBRO-GHMZBOCLSA-N 1 0 336.396 -1.475 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nc1=O ZINC001029802633 668967081 /nfs/dbraw/zinc/96/70/81/668967081.db2.gz CFLKNBRUIUIBRO-MNOVXSKESA-N 1 0 336.396 -1.475 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nc1=O ZINC001029802634 668967695 /nfs/dbraw/zinc/96/76/95/668967695.db2.gz CFLKNBRUIUIBRO-QWRGUYRKSA-N 1 0 336.396 -1.475 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nc1=O ZINC001029802635 668967649 /nfs/dbraw/zinc/96/76/49/668967649.db2.gz CFLKNBRUIUIBRO-WDEREUQCSA-N 1 0 336.396 -1.475 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001029806542 668968373 /nfs/dbraw/zinc/96/83/73/668968373.db2.gz MTFXTMALLJYBOP-SECBINFHSA-N 1 0 335.372 -1.774 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001029806543 668968249 /nfs/dbraw/zinc/96/82/49/668968249.db2.gz MTFXTMALLJYBOP-VIFPVBQESA-N 1 0 335.372 -1.774 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001029806908 668968570 /nfs/dbraw/zinc/96/85/70/668968570.db2.gz UGTXIVDTJJAEEG-NXEZZACHSA-N 1 0 335.368 -1.591 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC001029806909 668968455 /nfs/dbraw/zinc/96/84/55/668968455.db2.gz UGTXIVDTJJAEEG-UWVGGRQHSA-N 1 0 335.368 -1.591 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001029806910 668968671 /nfs/dbraw/zinc/96/86/71/668968671.db2.gz UGTXIVDTJJAEEG-VHSXEESVSA-N 1 0 335.368 -1.591 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC001029806911 668968729 /nfs/dbraw/zinc/96/87/29/668968729.db2.gz UGTXIVDTJJAEEG-ZJUUUORDSA-N 1 0 335.368 -1.591 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nc1=O ZINC001029818815 668970518 /nfs/dbraw/zinc/97/05/18/668970518.db2.gz JNFJSUVEJCWQNQ-JTQLQIEISA-N 1 0 347.379 -1.214 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nc1=O ZINC001029818818 668970584 /nfs/dbraw/zinc/97/05/84/668970584.db2.gz JNFJSUVEJCWQNQ-SNVBAGLBSA-N 1 0 347.379 -1.214 20 0 EAADRO C[N@H+](C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029819189 668970985 /nfs/dbraw/zinc/97/09/85/668970985.db2.gz NRRWZYUKYNGNFN-CMPLNLGQSA-N 1 0 347.375 -1.031 20 0 EAADRO C[N@H+](C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@H]1CCC(=O)NC1=O ZINC001029819190 668971024 /nfs/dbraw/zinc/97/10/24/668971024.db2.gz NRRWZYUKYNGNFN-JQWIXIFHSA-N 1 0 347.375 -1.031 20 0 EAADRO C[N@H+](C[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@H]1CCC(=O)NC1=O ZINC001029819191 668970947 /nfs/dbraw/zinc/97/09/47/668970947.db2.gz NRRWZYUKYNGNFN-PWSUYJOCSA-N 1 0 347.375 -1.031 20 0 EAADRO C[N@H+](C[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029819192 668971165 /nfs/dbraw/zinc/97/11/65/668971165.db2.gz NRRWZYUKYNGNFN-ZYHUDNBSSA-N 1 0 347.375 -1.031 20 0 EAADRO CN(Cc1nnnn1C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001029819442 668970668 /nfs/dbraw/zinc/97/06/68/668970668.db2.gz RWVSJOLOTDPJCQ-JTQLQIEISA-N 1 0 332.368 -1.113 20 0 EAADRO CN(Cc1nnnn1C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001029819443 668970558 /nfs/dbraw/zinc/97/05/58/668970558.db2.gz RWVSJOLOTDPJCQ-SNVBAGLBSA-N 1 0 332.368 -1.113 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1=O ZINC001029821925 668972190 /nfs/dbraw/zinc/97/21/90/668972190.db2.gz VZHYCEYYNRJGFB-NXEZZACHSA-N 1 0 337.384 -1.930 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1=O ZINC001029821926 668972156 /nfs/dbraw/zinc/97/21/56/668972156.db2.gz VZHYCEYYNRJGFB-UWVGGRQHSA-N 1 0 337.384 -1.930 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1=O ZINC001029821927 668971527 /nfs/dbraw/zinc/97/15/27/668971527.db2.gz VZHYCEYYNRJGFB-VHSXEESVSA-N 1 0 337.384 -1.930 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1=O ZINC001029821928 668971807 /nfs/dbraw/zinc/97/18/07/668971807.db2.gz VZHYCEYYNRJGFB-ZJUUUORDSA-N 1 0 337.384 -1.930 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nc1=O ZINC001029822428 668971768 /nfs/dbraw/zinc/97/17/68/668971768.db2.gz AXPDFESOEWMCQZ-JTQLQIEISA-N 1 0 336.396 -1.346 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nc1=O ZINC001029822429 668971927 /nfs/dbraw/zinc/97/19/27/668971927.db2.gz AXPDFESOEWMCQZ-SNVBAGLBSA-N 1 0 336.396 -1.346 20 0 EAADRO C[N@H+](C[C@H]1CCN(C(=O)C(N)=O)C1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001029822652 668971830 /nfs/dbraw/zinc/97/18/30/668971830.db2.gz ICRHNDKZLBZOGX-NEPJUHHUSA-N 1 0 346.453 -1.467 20 0 EAADRO C[N@H+](C[C@@H]1CCN(C(=O)C(N)=O)C1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001029822653 668971902 /nfs/dbraw/zinc/97/19/02/668971902.db2.gz ICRHNDKZLBZOGX-NWDGAFQWSA-N 1 0 346.453 -1.467 20 0 EAADRO C[N@H+](C[C@@H]1CCN(C(=O)C(N)=O)C1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001029822654 668971510 /nfs/dbraw/zinc/97/15/10/668971510.db2.gz ICRHNDKZLBZOGX-RYUDHWBXSA-N 1 0 346.453 -1.467 20 0 EAADRO C[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029822655 668971612 /nfs/dbraw/zinc/97/16/12/668971612.db2.gz ICRHNDKZLBZOGX-VXGBXAGGSA-N 1 0 346.453 -1.467 20 0 EAADRO Cn1cc(N2CC[C@H]([N@H+](C)C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001029824249 668971719 /nfs/dbraw/zinc/97/17/19/668971719.db2.gz DWRLANXABWGRNL-AAEUAGOBSA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1cc(N2CC[C@@H]([N@H+](C)C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001029824250 668971794 /nfs/dbraw/zinc/97/17/94/668971794.db2.gz DWRLANXABWGRNL-DGCLKSJQSA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1cc(N2CC[C@@H]([N@H+](C)C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001029824251 668971628 /nfs/dbraw/zinc/97/16/28/668971628.db2.gz DWRLANXABWGRNL-WCQYABFASA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1cc(N2CC[C@H]([N@H+](C)C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001029824252 668971553 /nfs/dbraw/zinc/97/15/53/668971553.db2.gz DWRLANXABWGRNL-YPMHNXCESA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1c(C[N@H+](C)C[C@@H]2CCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O 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/nfs/dbraw/zinc/97/15/91/668971591.db2.gz ORABPLLHLUPWEQ-WDEREUQCSA-N 1 0 336.392 -1.163 20 0 EAADRO Cn1ccc(N2CC[C@H]([N@H+](C)C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001029825428 668971968 /nfs/dbraw/zinc/97/19/68/668971968.db2.gz QNNMGMDCIHIETP-NEPJUHHUSA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1ccc(N2CC[C@@H]([N@H+](C)C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001029825433 668971681 /nfs/dbraw/zinc/97/16/81/668971681.db2.gz QNNMGMDCIHIETP-NWDGAFQWSA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1ccc(N2CC[C@H]([N@H+](C)C[C@@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001029825435 668972947 /nfs/dbraw/zinc/97/29/47/668972947.db2.gz QNNMGMDCIHIETP-RYUDHWBXSA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1ccc(N2CC[C@@H]([N@H+](C)C[C@H]3CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001029825438 668972917 /nfs/dbraw/zinc/97/29/17/668972917.db2.gz QNNMGMDCIHIETP-VXGBXAGGSA-N 1 0 348.407 -1.209 20 0 EAADRO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001029841849 668974093 /nfs/dbraw/zinc/97/40/93/668974093.db2.gz 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O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001032194225 669512372 /nfs/dbraw/zinc/51/23/72/669512372.db2.gz NXKALMIUGHYKJM-LLVKDONJSA-N 1 0 345.425 -2.249 20 0 EAADRO O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001032194227 669512463 /nfs/dbraw/zinc/51/24/63/669512463.db2.gz NXKALMIUGHYKJM-NSHDSACASA-N 1 0 345.425 -2.249 20 0 EAADRO O=C(CN1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1)NC1CC1 ZINC001032194268 669513365 /nfs/dbraw/zinc/51/33/65/669513365.db2.gz OOFSUHXGMIVWGT-LLVKDONJSA-N 1 0 330.410 -1.995 20 0 EAADRO O=C(CN1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1)NC1CC1 ZINC001032194269 669513073 /nfs/dbraw/zinc/51/30/73/669513073.db2.gz OOFSUHXGMIVWGT-NSHDSACASA-N 1 0 330.410 -1.995 20 0 EAADRO Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194417 669513342 /nfs/dbraw/zinc/51/33/42/669513342.db2.gz RBYJCLUHHGLTFP-CYBMUJFWSA-N 1 0 341.437 -1.298 20 0 EAADRO Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194419 669513336 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CC(=O)N1CCOC[C@@H]1C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001032196836 669520565 /nfs/dbraw/zinc/52/05/65/669520565.db2.gz YIWZCFJKOFIDHS-CQSZACIVSA-N 1 0 336.396 -1.427 20 0 EAADRO O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@@H]1CCc2nncn2C1 ZINC001032204623 669538999 /nfs/dbraw/zinc/53/89/99/669538999.db2.gz AQBOSWIUGYJVID-CYBMUJFWSA-N 1 0 347.423 -1.086 20 0 EAADRO O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@H]1CCc2nncn2C1 ZINC001032204624 669539044 /nfs/dbraw/zinc/53/90/44/669539044.db2.gz AQBOSWIUGYJVID-ZDUSSCGKSA-N 1 0 347.423 -1.086 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CCn3cccn3)C2)nn1 ZINC001032205503 669547677 /nfs/dbraw/zinc/54/76/77/669547677.db2.gz APECCKLBHOFIIA-UHFFFAOYSA-N 1 0 332.368 -1.678 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001032205543 669548589 /nfs/dbraw/zinc/54/85/89/669548589.db2.gz BETNLAUVIHHJIF-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001032205545 669548459 /nfs/dbraw/zinc/54/84/59/669548459.db2.gz BETNLAUVIHHJIF-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)nn1 ZINC001032205641 669550798 /nfs/dbraw/zinc/55/07/98/669550798.db2.gz DKPJGRVQUKRXIR-LLVKDONJSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)nn1 ZINC001032205642 669550951 /nfs/dbraw/zinc/55/09/51/669550951.db2.gz DKPJGRVQUKRXIR-NSHDSACASA-N 1 0 336.396 -1.148 20 0 EAADRO Cn1nccc1CC[NH+]1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032205799 669551677 /nfs/dbraw/zinc/55/16/77/669551677.db2.gz JGIYHAVBQJGPKI-UHFFFAOYSA-N 1 0 346.395 -1.599 20 0 EAADRO Cn1cc(CC[NH+]2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001032206011 669555599 /nfs/dbraw/zinc/55/55/99/669555599.db2.gz PDBZHJYLBSQNDZ-UHFFFAOYSA-N 1 0 346.395 -1.599 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CCOC3CCC3)C2)nn1 ZINC001032206076 669556773 /nfs/dbraw/zinc/55/67/73/669556773.db2.gz REELJKRSHRXWGD-UHFFFAOYSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)nn1 ZINC001032206171 669557591 /nfs/dbraw/zinc/55/75/91/669557591.db2.gz TVEFHNYIIQUVAC-LLVKDONJSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)nn1 ZINC001032206172 669557199 /nfs/dbraw/zinc/55/71/99/669557199.db2.gz TVEFHNYIIQUVAC-NSHDSACASA-N 1 0 336.396 -1.148 20 0 EAADRO C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)O1 ZINC001032206297 669558733 /nfs/dbraw/zinc/55/87/33/669558733.db2.gz WZLIRCFKTMNRAM-CMPLNLGQSA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)O1 ZINC001032206298 669558646 /nfs/dbraw/zinc/55/86/46/669558646.db2.gz WZLIRCFKTMNRAM-JQWIXIFHSA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)O1 ZINC001032206299 669558801 /nfs/dbraw/zinc/55/88/01/669558801.db2.gz WZLIRCFKTMNRAM-PWSUYJOCSA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)O1 ZINC001032206300 669558765 /nfs/dbraw/zinc/55/87/65/669558765.db2.gz WZLIRCFKTMNRAM-ZYHUDNBSSA-N 1 0 336.396 -1.008 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@H]3CCCCO3)C2)nn1 ZINC001032206449 669559823 /nfs/dbraw/zinc/55/98/23/669559823.db2.gz ASPFUIZTLMIUIP-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@@H]3CCCCO3)C2)nn1 ZINC001032206452 669559976 /nfs/dbraw/zinc/55/99/76/669559976.db2.gz ASPFUIZTLMIUIP-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CC3CCOCC3)C2)nn1 ZINC001032206562 669560592 /nfs/dbraw/zinc/56/05/92/669560592.db2.gz DGHRVSBNYYADSS-UHFFFAOYSA-N 1 0 336.396 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)nn1 ZINC001032206963 669563490 /nfs/dbraw/zinc/56/34/90/669563490.db2.gz QWDFFPXHCZGXKB-BLLLJJGKSA-N 1 0 348.407 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)nn1 ZINC001032206966 669563535 /nfs/dbraw/zinc/56/35/35/669563535.db2.gz QWDFFPXHCZGXKB-LRDDRELGSA-N 1 0 348.407 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)nn1 ZINC001032206969 669563387 /nfs/dbraw/zinc/56/33/87/669563387.db2.gz QWDFFPXHCZGXKB-MLGOLLRUSA-N 1 0 348.407 -1.148 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)nn1 ZINC001032206972 669563510 /nfs/dbraw/zinc/56/35/10/669563510.db2.gz QWDFFPXHCZGXKB-WBMJQRKESA-N 1 0 348.407 -1.148 20 0 EAADRO CN1C[C@H](C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)CCC1=O ZINC001032209547 669589548 /nfs/dbraw/zinc/58/95/48/669589548.db2.gz QBINMDKXCGHKCD-CYBMUJFWSA-N 1 0 337.424 -1.072 20 0 EAADRO CN1C[C@@H](C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)CCC1=O ZINC001032209548 669590166 /nfs/dbraw/zinc/59/01/66/669590166.db2.gz QBINMDKXCGHKCD-ZDUSSCGKSA-N 1 0 337.424 -1.072 20 0 EAADRO Cn1cc(C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)n(C)c1=O ZINC001032211276 669599847 /nfs/dbraw/zinc/59/98/47/669599847.db2.gz IYPRJMATAOCMRH-CYBMUJFWSA-N 1 0 348.407 -1.357 20 0 EAADRO Cn1cc(C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)n(C)c1=O ZINC001032211277 669599939 /nfs/dbraw/zinc/59/99/39/669599939.db2.gz IYPRJMATAOCMRH-ZDUSSCGKSA-N 1 0 348.407 -1.357 20 0 EAADRO Cn1cc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)n(C)c1=O ZINC001032211902 669600234 /nfs/dbraw/zinc/60/02/34/669600234.db2.gz FEJUTFQPGJOIKZ-UHFFFAOYSA-N 1 0 336.396 -1.589 20 0 EAADRO Cc1nonc1C(=O)NCC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001032225808 669670538 /nfs/dbraw/zinc/67/05/38/669670538.db2.gz IIRJBJCDQTWDAH-UHFFFAOYSA-N 1 0 336.352 -1.018 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001032227412 669672429 /nfs/dbraw/zinc/67/24/29/669672429.db2.gz SDBVGISLOZGWPT-LBPRGKRZSA-N 1 0 338.412 -1.397 20 0 EAADRO Cc1nc[nH]c1C(=O)NCC1C[NH+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001032230909 669677640 /nfs/dbraw/zinc/67/76/40/669677640.db2.gz XCXSDMIIMNBQBJ-GFCCVEGCSA-N 1 0 349.391 -1.110 20 0 EAADRO Cc1nc[nH]c1C(=O)NCC1C[NH+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001032230910 669677801 /nfs/dbraw/zinc/67/78/01/669677801.db2.gz XCXSDMIIMNBQBJ-LBPRGKRZSA-N 1 0 349.391 -1.110 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001032268522 669710571 /nfs/dbraw/zinc/71/05/71/669710571.db2.gz ACEZZWZQZWRSJD-SRVKXCTJSA-N 1 0 329.368 -1.263 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001032268523 669710318 /nfs/dbraw/zinc/71/03/18/669710318.db2.gz ACEZZWZQZWRSJD-WOPDTQHZSA-N 1 0 329.368 -1.263 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001032269528 669711080 /nfs/dbraw/zinc/71/10/80/669711080.db2.gz UBUOHCOEMYKDJM-AGIUHOORSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001032269529 669711129 /nfs/dbraw/zinc/71/11/29/669711129.db2.gz UBUOHCOEMYKDJM-AVGNSLFASA-N 1 0 333.396 -1.126 20 0 EAADRO CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269734 669710355 /nfs/dbraw/zinc/71/03/55/669710355.db2.gz YIUVPVIQDLIJDA-AVGNSLFASA-N 1 0 333.396 -1.033 20 0 EAADRO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269735 669710423 /nfs/dbraw/zinc/71/04/23/669710423.db2.gz YIUVPVIQDLIJDA-RWMBFGLXSA-N 1 0 333.396 -1.033 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1CCCC1=O ZINC001032270473 669710981 /nfs/dbraw/zinc/71/09/81/669710981.db2.gz HSIUDKUINZFZOQ-STQMWFEESA-N 1 0 333.396 -1.029 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)Cn1cccn1 ZINC001032271596 669712390 /nfs/dbraw/zinc/71/23/90/669712390.db2.gz QQXFIBVUOZTNLT-AVGNSLFASA-N 1 0 332.368 -1.784 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001032271597 669712151 /nfs/dbraw/zinc/71/21/51/669712151.db2.gz QQXFIBVUOZTNLT-RWMBFGLXSA-N 1 0 332.368 -1.784 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)N1CCNC(=O)C1 ZINC001032314164 669764491 /nfs/dbraw/zinc/76/44/91/669764491.db2.gz SUMLCDHICZTSOL-IHRRRGAJSA-N 1 0 349.435 -1.676 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)N1CCNC(=O)C1 ZINC001032314165 669764779 /nfs/dbraw/zinc/76/47/79/669764779.db2.gz SUMLCDHICZTSOL-MELADBBJSA-N 1 0 349.435 -1.676 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCN1C(=O)CNC1=O ZINC001032315614 669764626 /nfs/dbraw/zinc/76/46/26/669764626.db2.gz RNKGJFDWKHEFGS-AVGNSLFASA-N 1 0 335.408 -1.083 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCN1C(=O)CNC1=O ZINC001032315615 669764842 /nfs/dbraw/zinc/76/48/42/669764842.db2.gz RNKGJFDWKHEFGS-RWMBFGLXSA-N 1 0 335.408 -1.083 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001032316421 669765554 /nfs/dbraw/zinc/76/55/54/669765554.db2.gz UCBZSZUOZDMQKZ-IGQOVBAYSA-N 1 0 333.392 -1.192 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)Cn1cccn1 ZINC001032316422 669765312 /nfs/dbraw/zinc/76/53/12/669765312.db2.gz UCBZSZUOZDMQKZ-XDQVBPFNSA-N 1 0 333.392 -1.192 20 0 EAADRO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001032364315 669783820 /nfs/dbraw/zinc/78/38/20/669783820.db2.gz OLRJHWXAVJGZDB-HRCADAONSA-N 1 0 349.435 -1.139 20 0 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C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)N2CCNC(=O)C2)C1 ZINC001032782036 668935459 /nfs/dbraw/zinc/93/54/59/668935459.db2.gz RNHKVAPVIZQKSB-IHRRRGAJSA-N 1 0 349.435 -1.818 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)N2CCNC(=O)C2)C1 ZINC001032782037 668935923 /nfs/dbraw/zinc/93/59/23/668935923.db2.gz RNHKVAPVIZQKSB-RDBSUJKOSA-N 1 0 349.435 -1.818 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCN1C(=O)CNC1=O ZINC001032782804 668935369 /nfs/dbraw/zinc/93/53/69/668935369.db2.gz NFSZOFZRLOTIQI-STQMWFEESA-N 1 0 335.408 -1.081 20 0 EAADRO O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CC(=O)N1CCNC(=O)C1 ZINC001032783327 668935243 /nfs/dbraw/zinc/93/52/43/668935243.db2.gz BICCBHVQXOYJAO-KBPBESRZSA-N 1 0 349.435 -1.674 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCOC2)nn1 ZINC001032803162 668943009 /nfs/dbraw/zinc/94/30/09/668943009.db2.gz YYOIJODZFUDIPN-SRVKXCTJSA-N 1 0 334.380 -1.301 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCOC2)nn1 ZINC001032803163 668942696 /nfs/dbraw/zinc/94/26/96/668942696.db2.gz YYOIJODZFUDIPN-WOPDTQHZSA-N 1 0 334.380 -1.301 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCNC2=O)n(C)c1=O ZINC001032805547 668941778 /nfs/dbraw/zinc/94/17/78/668941778.db2.gz UMRWFSYEZYVZOM-SDDRHHMPSA-N 1 0 333.392 -1.099 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCNC2=O)n(C)c1=O ZINC001032805548 668941945 /nfs/dbraw/zinc/94/19/45/668941945.db2.gz UMRWFSYEZYVZOM-SRVKXCTJSA-N 1 0 333.392 -1.099 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCNC2=O)nc1 ZINC001032813625 668943330 /nfs/dbraw/zinc/94/33/30/668943330.db2.gz CBOKZALGARMWIL-GMXVVIOVSA-N 1 0 329.360 -1.032 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCNC2=O)nc1 ZINC001032813626 668943541 /nfs/dbraw/zinc/94/35/41/668943541.db2.gz CBOKZALGARMWIL-GVXVVHGQSA-N 1 0 329.360 -1.032 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@@H]1COCCO1 ZINC001032824557 669000083 /nfs/dbraw/zinc/00/00/83/669000083.db2.gz MTUGJAFUJFNVFZ-IHRRRGAJSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@H]1COCCO1 ZINC001032824558 668999878 /nfs/dbraw/zinc/99/98/78/668999878.db2.gz MTUGJAFUJFNVFZ-MELADBBJSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1CCCO1 ZINC001032826079 669009657 /nfs/dbraw/zinc/00/96/57/669009657.db2.gz GFFXQGOEMLYQLA-AVGNSLFASA-N 1 0 339.392 -1.134 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1CCCO1 ZINC001032826080 669009446 /nfs/dbraw/zinc/00/94/46/669009446.db2.gz GFFXQGOEMLYQLA-XQQFMLRXSA-N 1 0 339.392 -1.134 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@H]1COC(=O)N1 ZINC001032826396 669015771 /nfs/dbraw/zinc/01/57/71/669015771.db2.gz NGWSRPHIMQTUAR-SDDRHHMPSA-N 1 0 340.380 -1.731 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@@H]1COC(=O)N1 ZINC001032826397 669015678 /nfs/dbraw/zinc/01/56/78/669015678.db2.gz NGWSRPHIMQTUAR-SRVKXCTJSA-N 1 0 340.380 -1.731 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC001032827032 669026593 /nfs/dbraw/zinc/02/65/93/669026593.db2.gz UOFSZWNWNJSMJE-AXFHLTTASA-N 1 0 347.379 -1.446 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001032827033 669026349 /nfs/dbraw/zinc/02/63/49/669026349.db2.gz UOFSZWNWNJSMJE-DCAQKATOSA-N 1 0 347.379 -1.446 20 0 EAADRO CN1CCC[C@H]([N@@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032827073 669026696 /nfs/dbraw/zinc/02/66/96/669026696.db2.gz CXLHKKOJWFALEG-DCAQKATOSA-N 1 0 337.380 -1.604 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032827074 669026063 /nfs/dbraw/zinc/02/60/63/669026063.db2.gz CXLHKKOJWFALEG-GARJFASQSA-N 1 0 337.380 -1.604 20 0 EAADRO O=C(N[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001032827736 669032157 /nfs/dbraw/zinc/03/21/57/669032157.db2.gz XXMHWPJTWQMHHC-SRVKXCTJSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(N[C@H]1CC[N@H+](C[C@H]2CCOC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001032827737 669032066 /nfs/dbraw/zinc/03/20/66/669032066.db2.gz XXMHWPJTWQMHHC-WOPDTQHZSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@H]1CCNC1=O ZINC001032828293 669035126 /nfs/dbraw/zinc/03/51/26/669035126.db2.gz GBGQOVILGTTZRL-AVGNSLFASA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@@H]1CCNC1=O ZINC001032828294 669035279 /nfs/dbraw/zinc/03/52/79/669035279.db2.gz GBGQOVILGTTZRL-RWMBFGLXSA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001032830394 669038864 /nfs/dbraw/zinc/03/88/64/669038864.db2.gz JLPVRTRIMBTRGA-SDDRHHMPSA-N 1 0 339.396 -2.158 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001032830395 669039258 /nfs/dbraw/zinc/03/92/58/669039258.db2.gz JLPVRTRIMBTRGA-SRVKXCTJSA-N 1 0 339.396 -2.158 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001032831331 669040677 /nfs/dbraw/zinc/04/06/77/669040677.db2.gz IFBWGPSNZRHSKI-RVMXOQNASA-N 1 0 338.408 -1.718 20 0 EAADRO O=C(N[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831493 669041917 /nfs/dbraw/zinc/04/19/17/669041917.db2.gz BNOQXDVXXTULLY-AXFHLTTASA-N 1 0 347.379 -1.446 20 0 EAADRO O=C(N[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831494 669041665 /nfs/dbraw/zinc/04/16/65/669041665.db2.gz BNOQXDVXXTULLY-DCAQKATOSA-N 1 0 347.379 -1.446 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1CCOC1 ZINC001032832076 669048728 /nfs/dbraw/zinc/04/87/28/669048728.db2.gz FPIWJZZQTOSYNO-AGIUHOORSA-N 1 0 339.392 -1.277 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1CCOC1 ZINC001032832077 669048763 /nfs/dbraw/zinc/04/87/63/669048763.db2.gz FPIWJZZQTOSYNO-FRRDWIJNSA-N 1 0 339.392 -1.277 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)[C@H]1CCCO1 ZINC001032833500 669060104 /nfs/dbraw/zinc/06/01/04/669060104.db2.gz GFFXQGOEMLYQLA-RWMBFGLXSA-N 1 0 339.392 -1.134 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@H]1CCCO1 ZINC001032833501 669060329 /nfs/dbraw/zinc/06/03/29/669060329.db2.gz GFFXQGOEMLYQLA-YNEHKIRRSA-N 1 0 339.392 -1.134 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@H]1COCCO1 ZINC001032834139 669068071 /nfs/dbraw/zinc/06/80/71/669068071.db2.gz MTUGJAFUJFNVFZ-HZSPNIEDSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@@H]1COCCO1 ZINC001032834140 669068116 /nfs/dbraw/zinc/06/81/16/669068116.db2.gz MTUGJAFUJFNVFZ-RDBSUJKOSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1CCCO1 ZINC001032836213 669073888 /nfs/dbraw/zinc/07/38/88/669073888.db2.gz GFFXQGOEMLYQLA-AGIUHOORSA-N 1 0 339.392 -1.134 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1CCCO1 ZINC001032836214 669073649 /nfs/dbraw/zinc/07/36/49/669073649.db2.gz GFFXQGOEMLYQLA-UPJWGTAASA-N 1 0 339.392 -1.134 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)[C@H]1CCOC1 ZINC001032836554 669082481 /nfs/dbraw/zinc/08/24/81/669082481.db2.gz FPIWJZZQTOSYNO-XQQFMLRXSA-N 1 0 339.392 -1.277 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@H]1CCOC1 ZINC001032836555 669082150 /nfs/dbraw/zinc/08/21/50/669082150.db2.gz FPIWJZZQTOSYNO-YNEHKIRRSA-N 1 0 339.392 -1.277 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032837028 669083758 /nfs/dbraw/zinc/08/37/58/669083758.db2.gz CXLHKKOJWFALEG-OUAUKWLOSA-N 1 0 337.380 -1.604 20 0 EAADRO CN1CCC[C@H]([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032837029 669083640 /nfs/dbraw/zinc/08/36/40/669083640.db2.gz CXLHKKOJWFALEG-VWYCJHECSA-N 1 0 337.380 -1.604 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC001032837096 669083518 /nfs/dbraw/zinc/08/35/18/669083518.db2.gz UOFSZWNWNJSMJE-MXWKQRLJSA-N 1 0 347.379 -1.446 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001032837097 669083597 /nfs/dbraw/zinc/08/35/97/669083597.db2.gz UOFSZWNWNJSMJE-VWYCJHECSA-N 1 0 347.379 -1.446 20 0 EAADRO O=C(N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001032837585 669088842 /nfs/dbraw/zinc/08/88/42/669088842.db2.gz XXMHWPJTWQMHHC-TUAOUCFPSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(N[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001032837586 669088671 /nfs/dbraw/zinc/08/86/71/669088671.db2.gz XXMHWPJTWQMHHC-UTUOFQBUSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)[C@H]1CCNC1=O ZINC001032838117 669091420 /nfs/dbraw/zinc/09/14/20/669091420.db2.gz GBGQOVILGTTZRL-AGIUHOORSA-N 1 0 338.408 -1.704 20 0 EAADRO 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ZINC001033507493 669342082 /nfs/dbraw/zinc/34/20/82/669342082.db2.gz HQSHRCGHQAMVGQ-GHMZBOCLSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507494 669342424 /nfs/dbraw/zinc/34/24/24/669342424.db2.gz HQSHRCGHQAMVGQ-MNOVXSKESA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507495 669342446 /nfs/dbraw/zinc/34/24/46/669342446.db2.gz HQSHRCGHQAMVGQ-QWRGUYRKSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507496 669342195 /nfs/dbraw/zinc/34/21/95/669342195.db2.gz HQSHRCGHQAMVGQ-WDEREUQCSA-N 1 0 339.396 -1.452 20 0 EAADRO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001033511889 669343793 /nfs/dbraw/zinc/34/37/93/669343793.db2.gz GCQQFAWWZSKEBV-JTQLQIEISA-N 1 0 335.368 -1.107 20 0 EAADRO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001033511891 669343918 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-1.247 20 0 EAADRO CN(C(=O)CN1CCC(=O)NC1=O)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033556424 669348640 /nfs/dbraw/zinc/34/86/40/669348640.db2.gz CKYJPFIQCFYXAJ-LBPRGKRZSA-N 1 0 349.395 -1.247 20 0 EAADRO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033570213 669351097 /nfs/dbraw/zinc/35/10/97/669351097.db2.gz GELNQOAUORZFIL-JTQLQIEISA-N 1 0 335.368 -1.568 20 0 EAADRO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033570214 669350972 /nfs/dbraw/zinc/35/09/72/669350972.db2.gz GELNQOAUORZFIL-SNVBAGLBSA-N 1 0 335.368 -1.568 20 0 EAADRO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001033570268 669351263 /nfs/dbraw/zinc/35/12/63/669351263.db2.gz GUGDARHLYJGMPQ-LLVKDONJSA-N 1 0 349.395 -1.178 20 0 EAADRO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001033570269 669350671 /nfs/dbraw/zinc/35/06/71/669350671.db2.gz GUGDARHLYJGMPQ-NSHDSACASA-N 1 0 349.395 -1.178 20 0 EAADRO CN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033576354 669350403 /nfs/dbraw/zinc/35/04/03/669350403.db2.gz HWIJDRNPEJWKBR-GFCCVEGCSA-N 1 0 349.395 -1.295 20 0 EAADRO CN(C(=O)CN1CC(=O)N(C)C1=O)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033576355 669349777 /nfs/dbraw/zinc/34/97/77/669349777.db2.gz HWIJDRNPEJWKBR-LBPRGKRZSA-N 1 0 349.395 -1.295 20 0 EAADRO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033603005 669353433 /nfs/dbraw/zinc/35/34/33/669353433.db2.gz IVWCJSSIHUTQTE-NEPJUHHUSA-N 1 0 336.392 -1.053 20 0 EAADRO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033603008 669353270 /nfs/dbraw/zinc/35/32/70/669353270.db2.gz IVWCJSSIHUTQTE-RYUDHWBXSA-N 1 0 336.392 -1.053 20 0 EAADRO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033603010 669353401 /nfs/dbraw/zinc/35/34/01/669353401.db2.gz IXGGPLMELVKNSE-MNOVXSKESA-N 1 0 337.380 -1.651 20 0 EAADRO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033603012 669353188 /nfs/dbraw/zinc/35/31/88/669353188.db2.gz IXGGPLMELVKNSE-QWRGUYRKSA-N 1 0 337.380 -1.651 20 0 EAADRO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+](CCn3cncn3)C2)c(=O)n1C ZINC001033625946 669354609 /nfs/dbraw/zinc/35/46/09/669354609.db2.gz LXZQAUIFYIQWHJ-CYBMUJFWSA-N 1 0 348.411 -1.285 20 0 EAADRO Cc1nn(CC(=O)N(C)[C@H]2CC[N@H+](CCn3cncn3)C2)c(=O)n1C ZINC001033625947 669354442 /nfs/dbraw/zinc/35/44/42/669354442.db2.gz LXZQAUIFYIQWHJ-ZDUSSCGKSA-N 1 0 348.411 -1.285 20 0 EAADRO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033640338 669357246 /nfs/dbraw/zinc/35/72/46/669357246.db2.gz PVCVQYDUZSAROJ-GFCCVEGCSA-N 1 0 348.407 -1.048 20 0 EAADRO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033640339 669357199 /nfs/dbraw/zinc/35/71/99/669357199.db2.gz PVCVQYDUZSAROJ-LBPRGKRZSA-N 1 0 348.407 -1.048 20 0 EAADRO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033641298 669357378 /nfs/dbraw/zinc/35/73/78/669357378.db2.gz AIYHOAWQQMOWHM-GFCCVEGCSA-N 1 0 334.380 -1.040 20 0 EAADRO CN(C(=O)Cn1cncn1)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033641300 669357138 /nfs/dbraw/zinc/35/71/38/669357138.db2.gz AIYHOAWQQMOWHM-LBPRGKRZSA-N 1 0 334.380 -1.040 20 0 EAADRO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033641598 669357312 /nfs/dbraw/zinc/35/73/12/669357312.db2.gz AKEWVMUAACIFEW-GFCCVEGCSA-N 1 0 334.380 -1.032 20 0 EAADRO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033641599 669357122 /nfs/dbraw/zinc/35/71/22/669357122.db2.gz AKEWVMUAACIFEW-LBPRGKRZSA-N 1 0 334.380 -1.032 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642140 669357963 /nfs/dbraw/zinc/35/79/63/669357963.db2.gz IOYNXUQEZRCTNS-GHMZBOCLSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642141 669358455 /nfs/dbraw/zinc/35/84/55/669358455.db2.gz IOYNXUQEZRCTNS-MNOVXSKESA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642142 669357993 /nfs/dbraw/zinc/35/79/93/669357993.db2.gz IOYNXUQEZRCTNS-QWRGUYRKSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642143 669358423 /nfs/dbraw/zinc/35/84/23/669358423.db2.gz IOYNXUQEZRCTNS-WDEREUQCSA-N 1 0 339.396 -1.452 20 0 EAADRO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033642635 669357903 /nfs/dbraw/zinc/35/79/03/669357903.db2.gz OGSDDKFEKDPCLD-LLVKDONJSA-N 1 0 335.368 -1.637 20 0 EAADRO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033642637 669358548 /nfs/dbraw/zinc/35/85/48/669358548.db2.gz OGSDDKFEKDPCLD-NSHDSACASA-N 1 0 335.368 -1.637 20 0 EAADRO CN(C(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033643202 669358262 /nfs/dbraw/zinc/35/82/62/669358262.db2.gz VINJZUXIYCPXCO-GFCCVEGCSA-N 1 0 349.395 -1.295 20 0 EAADRO CN(C(=O)CN1C(=O)CN(C)C1=O)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033643204 669357924 /nfs/dbraw/zinc/35/79/24/669357924.db2.gz VINJZUXIYCPXCO-LBPRGKRZSA-N 1 0 349.395 -1.295 20 0 EAADRO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033644362 669359260 /nfs/dbraw/zinc/35/92/60/669359260.db2.gz KBGGTCDQFRYVOY-LLVKDONJSA-N 1 0 335.368 -1.637 20 0 EAADRO CN(C(=O)Cn1cncn1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033644365 669358881 /nfs/dbraw/zinc/35/88/81/669358881.db2.gz KBGGTCDQFRYVOY-NSHDSACASA-N 1 0 335.368 -1.637 20 0 EAADRO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001033644913 669358846 /nfs/dbraw/zinc/35/88/46/669358846.db2.gz RVLYJUVMAOYEFS-GHMZBOCLSA-N 1 0 337.380 -1.651 20 0 EAADRO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001033644914 669359094 /nfs/dbraw/zinc/35/90/94/669359094.db2.gz RVLYJUVMAOYEFS-MNOVXSKESA-N 1 0 337.380 -1.651 20 0 EAADRO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001033644915 669359048 /nfs/dbraw/zinc/35/90/48/669359048.db2.gz RVLYJUVMAOYEFS-QWRGUYRKSA-N 1 0 337.380 -1.651 20 0 EAADRO 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NLTANBGXKCDLPC-JTQLQIEISA-N 1 0 335.368 -1.107 20 0 EAADRO CCN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033993057 669386839 /nfs/dbraw/zinc/38/68/39/669386839.db2.gz NLTANBGXKCDLPC-SNVBAGLBSA-N 1 0 335.368 -1.107 20 0 EAADRO CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1CC[N@H+](CCO)C1 ZINC001034049817 669389958 /nfs/dbraw/zinc/38/99/58/669389958.db2.gz WXPOWSSISLVOGZ-GFCCVEGCSA-N 1 0 338.412 -1.105 20 0 EAADRO CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1CC[N@H+](CCO)C1 ZINC001034049818 669390311 /nfs/dbraw/zinc/39/03/11/669390311.db2.gz WXPOWSSISLVOGZ-LBPRGKRZSA-N 1 0 338.412 -1.105 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+](CCN2CCNC2=O)C1 ZINC001034095232 669392344 /nfs/dbraw/zinc/39/23/44/669392344.db2.gz RWKVXUOWOWBEAK-GFCCVEGCSA-N 1 0 336.400 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+](CCN2CCNC2=O)C1 ZINC001034095249 669391954 /nfs/dbraw/zinc/39/19/54/669391954.db2.gz RWKVXUOWOWBEAK-LBPRGKRZSA-N 1 0 336.400 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001034095770 669392399 /nfs/dbraw/zinc/39/23/99/669392399.db2.gz XVINQWUJTKHULW-GHMZBOCLSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001034095772 669392035 /nfs/dbraw/zinc/39/20/35/669392035.db2.gz XVINQWUJTKHULW-MNOVXSKESA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001034095773 669392076 /nfs/dbraw/zinc/39/20/76/669392076.db2.gz XVINQWUJTKHULW-QWRGUYRKSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001034095774 669391840 /nfs/dbraw/zinc/39/18/40/669391840.db2.gz XVINQWUJTKHULW-WDEREUQCSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001034096026 669392257 /nfs/dbraw/zinc/39/22/57/669392257.db2.gz BHKUQCDZKXXIAM-GFCCVEGCSA-N 1 0 349.395 -1.207 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001034096029 669391733 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20 0 EAADRO Cn1[nH]c(CN2CCCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O ZINC001034131269 669393480 /nfs/dbraw/zinc/39/34/80/669393480.db2.gz YGCZOGRCRJRNBR-WDEREUQCSA-N 1 0 336.396 -1.142 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001034187549 669394105 /nfs/dbraw/zinc/39/41/05/669394105.db2.gz OUOWCBXSGREVHP-LLVKDONJSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001034187553 669393905 /nfs/dbraw/zinc/39/39/05/669393905.db2.gz OUOWCBXSGREVHP-NSHDSACASA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCCC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001034192083 669394088 /nfs/dbraw/zinc/39/40/88/669394088.db2.gz IWQNQSWEAKLXJD-LLVKDONJSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CCCC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001034192084 669393980 /nfs/dbraw/zinc/39/39/80/669393980.db2.gz IWQNQSWEAKLXJD-NSHDSACASA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCCC[N@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001034195518 669394581 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C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001034230850 669395983 /nfs/dbraw/zinc/39/59/83/669395983.db2.gz HDOQNZYTDNCRFF-OLZOCXBDSA-N 1 0 338.408 -1.102 20 0 EAADRO C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001034230852 669396077 /nfs/dbraw/zinc/39/60/77/669396077.db2.gz HDOQNZYTDNCRFF-QWHCGFSZSA-N 1 0 338.408 -1.102 20 0 EAADRO C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001034230853 669395443 /nfs/dbraw/zinc/39/54/43/669395443.db2.gz HDOQNZYTDNCRFF-STQMWFEESA-N 1 0 338.408 -1.102 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001034234803 669396146 /nfs/dbraw/zinc/39/61/46/669396146.db2.gz VWCRGIMARKGPHM-GFCCVEGCSA-N 1 0 349.395 -1.199 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001034234804 669396114 /nfs/dbraw/zinc/39/61/14/669396114.db2.gz VWCRGIMARKGPHM-LBPRGKRZSA-N 1 0 349.395 -1.199 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001034244555 669396718 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339.396 -1.357 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034247816 669396389 /nfs/dbraw/zinc/39/63/89/669396389.db2.gz SWAULOZUMXNIRN-NEPJUHHUSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034247817 669396576 /nfs/dbraw/zinc/39/65/76/669396576.db2.gz SWAULOZUMXNIRN-RYUDHWBXSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034249181 669396910 /nfs/dbraw/zinc/39/69/10/669396910.db2.gz GRNLNECPIUYTLB-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034249185 669396643 /nfs/dbraw/zinc/39/66/43/669396643.db2.gz GRNLNECPIUYTLB-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034249191 669397024 /nfs/dbraw/zinc/39/70/24/669397024.db2.gz GRNLNECPIUYTLB-QWHCGFSZSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034249197 669396844 /nfs/dbraw/zinc/39/68/44/669396844.db2.gz GRNLNECPIUYTLB-STQMWFEESA-N 1 0 338.408 -1.296 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCCC[N@H+](CCn3cncn3)C2)c1=O ZINC001034278366 669397518 /nfs/dbraw/zinc/39/75/18/669397518.db2.gz CPVILGZTQYFDQO-CYBMUJFWSA-N 1 0 348.411 -1.156 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCCC[N@H+](CCn3cncn3)C2)c1=O ZINC001034278368 669397676 /nfs/dbraw/zinc/39/76/76/669397676.db2.gz CPVILGZTQYFDQO-ZDUSSCGKSA-N 1 0 348.411 -1.156 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279377 669398354 /nfs/dbraw/zinc/39/83/54/669398354.db2.gz LUBGLUZFOLUAIU-NEPJUHHUSA-N 1 0 338.412 -1.184 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279378 669398524 /nfs/dbraw/zinc/39/85/24/669398524.db2.gz LUBGLUZFOLUAIU-NWDGAFQWSA-N 1 0 338.412 -1.184 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279379 669398491 /nfs/dbraw/zinc/39/84/91/669398491.db2.gz 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ZINC001034294562 669398614 /nfs/dbraw/zinc/39/86/14/669398614.db2.gz YLRIZBVUEYPGEI-NWDGAFQWSA-N 1 0 349.391 -1.192 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034294563 669398468 /nfs/dbraw/zinc/39/84/68/669398468.db2.gz YLRIZBVUEYPGEI-RYUDHWBXSA-N 1 0 349.391 -1.192 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034294564 669398250 /nfs/dbraw/zinc/39/82/50/669398250.db2.gz YLRIZBVUEYPGEI-VXGBXAGGSA-N 1 0 349.391 -1.192 20 0 EAADRO O=C(N[C@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]n1 ZINC001034294754 669398049 /nfs/dbraw/zinc/39/80/49/669398049.db2.gz XITOWOPKGHYAID-JTQLQIEISA-N 1 0 335.368 -1.059 20 0 EAADRO O=C(N[C@@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]n1 ZINC001034294755 669398389 /nfs/dbraw/zinc/39/83/89/669398389.db2.gz XITOWOPKGHYAID-SNVBAGLBSA-N 1 0 335.368 -1.059 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034342333 669400279 /nfs/dbraw/zinc/40/02/79/669400279.db2.gz 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CC[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034343532 669401349 /nfs/dbraw/zinc/40/13/49/669401349.db2.gz DLKJLKSJXAEVCO-QWHCGFSZSA-N 1 0 339.440 -1.347 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034343541 669400899 /nfs/dbraw/zinc/40/08/99/669400899.db2.gz DLKJLKSJXAEVCO-STQMWFEESA-N 1 0 339.440 -1.347 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCCC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001034346012 669401227 /nfs/dbraw/zinc/40/12/27/669401227.db2.gz XOCINPBJYJFINI-CMPLNLGQSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCCC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001034346013 669401503 /nfs/dbraw/zinc/40/15/03/669401503.db2.gz XOCINPBJYJFINI-JQWIXIFHSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCCC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001034346014 669401138 /nfs/dbraw/zinc/40/11/38/669401138.db2.gz XOCINPBJYJFINI-PWSUYJOCSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O 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ZINC001034371881 669402204 /nfs/dbraw/zinc/40/22/04/669402204.db2.gz GPIQWBYGBZLQCT-JTQLQIEISA-N 1 0 325.369 -1.616 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001034371885 669402125 /nfs/dbraw/zinc/40/21/25/669402125.db2.gz GPIQWBYGBZLQCT-SNVBAGLBSA-N 1 0 325.369 -1.616 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001034372664 669401951 /nfs/dbraw/zinc/40/19/51/669401951.db2.gz NHCMMWQIERKUMY-NEPJUHHUSA-N 1 0 326.397 -1.574 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001034372665 669401869 /nfs/dbraw/zinc/40/18/69/669401869.db2.gz NHCMMWQIERKUMY-RYUDHWBXSA-N 1 0 326.397 -1.574 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001034373180 669402300 /nfs/dbraw/zinc/40/23/00/669402300.db2.gz SLFCNSUXRFMQNT-GHMZBOCLSA-N 1 0 340.380 -2.048 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001034373184 669401930 /nfs/dbraw/zinc/40/19/30/669401930.db2.gz 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349.395 -1.199 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001034518877 669413641 /nfs/dbraw/zinc/41/36/41/669413641.db2.gz YBDHQYPZFUKKOW-GFCCVEGCSA-N 1 0 349.395 -1.199 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001034518878 669413419 /nfs/dbraw/zinc/41/34/19/669413419.db2.gz YBDHQYPZFUKKOW-LBPRGKRZSA-N 1 0 349.395 -1.199 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCCC[N@@H+]([C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001034523069 669411937 /nfs/dbraw/zinc/41/19/37/669411937.db2.gz AGLLJOAJVZSYHY-CMPLNLGQSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCCC[N@@H+]([C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001034523070 669412917 /nfs/dbraw/zinc/41/29/17/669412917.db2.gz AGLLJOAJVZSYHY-JQWIXIFHSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+]([C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001034523071 669412386 /nfs/dbraw/zinc/41/23/86/669412386.db2.gz AGLLJOAJVZSYHY-PWSUYJOCSA-N 1 0 349.391 -1.041 20 0 EAADRO 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ZINC001034523601 669412715 /nfs/dbraw/zinc/41/27/15/669412715.db2.gz NDUPWUFNZHGMOE-GHMZBOCLSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034523603 669412857 /nfs/dbraw/zinc/41/28/57/669412857.db2.gz NDUPWUFNZHGMOE-MNOVXSKESA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034523605 669412996 /nfs/dbraw/zinc/41/29/96/669412996.db2.gz NDUPWUFNZHGMOE-QWRGUYRKSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034523606 669412757 /nfs/dbraw/zinc/41/27/57/669412757.db2.gz NDUPWUFNZHGMOE-WDEREUQCSA-N 1 0 337.380 -1.603 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)nn1 ZINC001034543775 669413506 /nfs/dbraw/zinc/41/35/06/669413506.db2.gz JZOWUCHHVRZIJF-GFCCVEGCSA-N 1 0 338.412 -1.057 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCC[N@H+](CCO)C2)nn1 ZINC001034543776 669413471 /nfs/dbraw/zinc/41/34/71/669413471.db2.gz JZOWUCHHVRZIJF-LBPRGKRZSA-N 1 0 338.412 -1.057 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001034556099 669413788 /nfs/dbraw/zinc/41/37/88/669413788.db2.gz HLNZXDQHDORPCL-NEPJUHHUSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001034556100 669413521 /nfs/dbraw/zinc/41/35/21/669413521.db2.gz HLNZXDQHDORPCL-NWDGAFQWSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001034556101 669413354 /nfs/dbraw/zinc/41/33/54/669413354.db2.gz HLNZXDQHDORPCL-RYUDHWBXSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001034556102 669413406 /nfs/dbraw/zinc/41/34/06/669413406.db2.gz HLNZXDQHDORPCL-VXGBXAGGSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1cnnn1)N1CCC(CC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001034560177 669413872 /nfs/dbraw/zinc/41/38/72/669413872.db2.gz MOGBINSNDCJILM-GFCCVEGCSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1cnnn1)N1CCC(CC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034560181 669413868 /nfs/dbraw/zinc/41/38/68/669413868.db2.gz MOGBINSNDCJILM-LBPRGKRZSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001034562033 669413864 /nfs/dbraw/zinc/41/38/64/669413864.db2.gz XWXRECHWBLWNRL-NEPJUHHUSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001034562034 669413548 /nfs/dbraw/zinc/41/35/48/669413548.db2.gz XWXRECHWBLWNRL-NWDGAFQWSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001034562035 669413716 /nfs/dbraw/zinc/41/37/16/669413716.db2.gz XWXRECHWBLWNRL-RYUDHWBXSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001034562036 669413730 /nfs/dbraw/zinc/41/37/30/669413730.db2.gz XWXRECHWBLWNRL-VXGBXAGGSA-N 1 0 349.395 -1.303 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](CC[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001034562097 669413389 /nfs/dbraw/zinc/41/33/89/669413389.db2.gz YYDHDSSIMWEYDM-GHMZBOCLSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](CC[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001034562098 669413794 /nfs/dbraw/zinc/41/37/94/669413794.db2.gz YYDHDSSIMWEYDM-MNOVXSKESA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H](CC[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001034562099 669413659 /nfs/dbraw/zinc/41/36/59/669413659.db2.gz YYDHDSSIMWEYDM-QWRGUYRKSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H](CC[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001034562100 669413830 /nfs/dbraw/zinc/41/38/30/669413830.db2.gz YYDHDSSIMWEYDM-WDEREUQCSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(Cn1ncnn1)N1CCC(CC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001034569602 669413383 /nfs/dbraw/zinc/41/33/83/669413383.db2.gz IJDBOKPZAIDAMT-GFCCVEGCSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N1CCC(CC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034569604 669413361 /nfs/dbraw/zinc/41/33/61/669413361.db2.gz IJDBOKPZAIDAMT-LBPRGKRZSA-N 1 0 349.395 -1.303 20 0 EAADRO Cn1nnc(C(=O)N2CCC(CC[NH2+][C@@H]3CCC(=O)NC3=O)CC2)n1 ZINC001034570037 669413861 /nfs/dbraw/zinc/41/38/61/669413861.db2.gz VNLCTVWCILCBGM-LLVKDONJSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1nnc(C(=O)N2CCC(CC[NH2+][C@H]3CCC(=O)NC3=O)CC2)n1 ZINC001034570038 669413836 /nfs/dbraw/zinc/41/38/36/669413836.db2.gz VNLCTVWCILCBGM-NSHDSACASA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001034588450 669413778 /nfs/dbraw/zinc/41/37/78/669413778.db2.gz PZIQIWMVXXFBFD-HAQNSBGRSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034589556 669413411 /nfs/dbraw/zinc/41/34/11/669413411.db2.gz JUCJCSIIOSEXKN-DCAQKATOSA-N 1 0 335.368 -1.505 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001034589557 669413801 /nfs/dbraw/zinc/41/38/01/669413801.db2.gz JUCJCSIIOSEXKN-GMTAPVOTSA-N 1 0 335.368 -1.505 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1 ZINC001034589572 669414329 /nfs/dbraw/zinc/41/43/29/669414329.db2.gz KJCJRZREPVBIOM-HAQNSBGRSA-N 1 0 336.400 -1.285 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1)c1nnnn1C ZINC001034589796 669414139 /nfs/dbraw/zinc/41/41/39/669414139.db2.gz PSJWFRPZETWBMY-DCAQKATOSA-N 1 0 334.388 -1.025 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1)c1nnnn1C ZINC001034589797 669414435 /nfs/dbraw/zinc/41/44/35/669414435.db2.gz PSJWFRPZETWBMY-GMTAPVOTSA-N 1 0 334.388 -1.025 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cnnn3)CC2)nc1=O ZINC001034590134 669414442 /nfs/dbraw/zinc/41/44/42/669414442.db2.gz ZKTCUNSHWWBHQS-MGCOHNPYSA-N 1 0 335.372 -1.688 20 0 EAADRO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)c2ccn[nH]2)CC1)N1CCNC(=O)C1 ZINC001034599330 669414473 /nfs/dbraw/zinc/41/44/73/669414473.db2.gz SEHPTAWXTAWCNR-HAQNSBGRSA-N 1 0 348.407 -1.001 20 0 EAADRO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)c2cn[nH]c2)CC1)N1CCNC(=O)C1 ZINC001034605207 669414101 /nfs/dbraw/zinc/41/41/01/669414101.db2.gz UXGMGAJVDWHUFO-JOCQHMNTSA-N 1 0 348.407 -1.001 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)CC2)nc1=O ZINC001034607887 669414277 /nfs/dbraw/zinc/41/42/77/669414277.db2.gz UTYVAHCSRWSQBQ-GMTAPVOTSA-N 1 0 336.396 -1.096 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001034630706 669414220 /nfs/dbraw/zinc/41/42/20/669414220.db2.gz RUYDTZVNBQSSAL-MGCOHNPYSA-N 1 0 335.372 -1.276 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2)nc1=O ZINC001034636694 669415097 /nfs/dbraw/zinc/41/50/97/669415097.db2.gz IEVMDKHMHLBBSO-GUBZILKMSA-N 1 0 338.368 -1.266 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)CC2)nc1=O ZINC001034636696 669415071 /nfs/dbraw/zinc/41/50/71/669415071.db2.gz IEVMDKHMHLBBSO-OPRDCNLKSA-N 1 0 338.368 -1.266 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001034638093 669415170 /nfs/dbraw/zinc/41/51/70/669415170.db2.gz ORWWEENTOCJUSM-DBIOUOCHSA-N 1 0 338.364 -1.083 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@H]1COC(=O)N1 ZINC001034638095 669415114 /nfs/dbraw/zinc/41/51/14/669415114.db2.gz ORWWEENTOCJUSM-GWOFURMSSA-N 1 0 338.364 -1.083 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001034638096 669415227 /nfs/dbraw/zinc/41/52/27/669415227.db2.gz ORWWEENTOCJUSM-NAKRPEOUSA-N 1 0 338.364 -1.083 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@H]1COC(=O)N1 ZINC001034638097 669414836 /nfs/dbraw/zinc/41/48/36/669414836.db2.gz ORWWEENTOCJUSM-XWLWVQCSSA-N 1 0 338.364 -1.083 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001034638147 669414932 /nfs/dbraw/zinc/41/49/32/669414932.db2.gz QEDKOJQBLZVBKE-XYPYZODXSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)CC2)nn1 ZINC001034639016 669415208 /nfs/dbraw/zinc/41/52/08/669415208.db2.gz RUOQTZZFAQUMOK-XYPYZODXSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)CC2)n1 ZINC001034640585 669415939 /nfs/dbraw/zinc/41/59/39/669415939.db2.gz XYBIZRYQRCVHAN-XYPYZODXSA-N 1 0 349.395 -1.003 20 0 EAADRO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)c2ncc[nH]2)CC1)N1CCNC(=O)C1 ZINC001034644614 669415130 /nfs/dbraw/zinc/41/51/30/669415130.db2.gz PXFHTDXVTXNPNR-HAQNSBGRSA-N 1 0 348.407 -1.001 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3ncnn3)CC2)nc1=O ZINC001034645648 669415259 /nfs/dbraw/zinc/41/52/59/669415259.db2.gz BLFNADRVWOUIAO-MGCOHNPYSA-N 1 0 335.372 -1.688 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001034645724 669414971 /nfs/dbraw/zinc/41/49/71/669414971.db2.gz DNVDZHDHFBSYKN-HAQNSBGRSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034645850 669414827 /nfs/dbraw/zinc/41/48/27/669414827.db2.gz GMOQLCAQOBEOJW-DCAQKATOSA-N 1 0 335.368 -1.505 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001034645851 669415148 /nfs/dbraw/zinc/41/51/48/669415148.db2.gz GMOQLCAQOBEOJW-GMTAPVOTSA-N 1 0 335.368 -1.505 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2ncnn2)CC1)c1nnnn1C ZINC001034646109 669414858 /nfs/dbraw/zinc/41/48/58/669414858.db2.gz KYENUFSFJWFTNF-DCAQKATOSA-N 1 0 334.388 -1.025 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2ncnn2)CC1)c1nnnn1C ZINC001034646110 669414945 /nfs/dbraw/zinc/41/49/45/669414945.db2.gz KYENUFSFJWFTNF-GMTAPVOTSA-N 1 0 334.388 -1.025 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1 ZINC001034646448 669415028 /nfs/dbraw/zinc/41/50/28/669415028.db2.gz VXJSVJTVOUSNTR-HAQNSBGRSA-N 1 0 336.400 -1.285 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1)C(N)=O ZINC001034648777 669414872 /nfs/dbraw/zinc/41/48/72/669414872.db2.gz ANZKIYIXFYADQR-GUBZILKMSA-N 1 0 337.384 -1.732 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1)C(N)=O ZINC001034648778 669414893 /nfs/dbraw/zinc/41/48/93/669414893.db2.gz ANZKIYIXFYADQR-OPRDCNLKSA-N 1 0 337.384 -1.732 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)n1 ZINC001034649557 669414882 /nfs/dbraw/zinc/41/48/82/669414882.db2.gz KOOSMDZWTCTISI-MGCOHNPYSA-N 1 0 348.367 -1.023 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCNC3=O)CC2)n1 ZINC001034649709 669415217 /nfs/dbraw/zinc/41/52/17/669415217.db2.gz QUFVJIRQKKENBV-DCAQKATOSA-N 1 0 349.395 -1.718 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3=O)CC2)n1 ZINC001034649710 669415236 /nfs/dbraw/zinc/41/52/36/669415236.db2.gz QUFVJIRQKKENBV-GMTAPVOTSA-N 1 0 349.395 -1.718 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001034652064 669415767 /nfs/dbraw/zinc/41/57/67/669415767.db2.gz ONJLCJZLGXZNAW-XYPYZODXSA-N 1 0 342.425 -1.228 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)C1CS(=O)(=O)C1 ZINC001034652083 669415654 /nfs/dbraw/zinc/41/56/54/669415654.db2.gz PFKGQTUZLKDAHO-IJLUTSLNSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)C1CS(=O)(=O)C1 ZINC001034652084 669415834 /nfs/dbraw/zinc/41/58/34/669415834.db2.gz PFKGQTUZLKDAHO-SRVKXCTJSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001034653224 669415642 /nfs/dbraw/zinc/41/56/42/669415642.db2.gz JJLLCMRDVNGYJN-HAQNSBGRSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3nccn3)CC2)nc1=O ZINC001034655264 669416635 /nfs/dbraw/zinc/41/66/35/669416635.db2.gz OKBXBILLDGNXHB-XYPYZODXSA-N 1 0 334.384 -1.083 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001034658151 669416484 /nfs/dbraw/zinc/41/64/84/669416484.db2.gz AAZIJQZIEJNQOJ-AVGNSLFASA-N 1 0 338.408 -1.055 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001034658152 669416565 /nfs/dbraw/zinc/41/65/65/669416565.db2.gz AAZIJQZIEJNQOJ-JHJVBQTASA-N 1 0 338.408 -1.055 20 0 EAADRO COCCN1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC1=O ZINC001034658218 669416478 /nfs/dbraw/zinc/41/64/78/669416478.db2.gz MOJZYUONEFKMJA-AVGNSLFASA-N 1 0 340.424 -1.016 20 0 EAADRO COCCN1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC1=O ZINC001034658220 669416434 /nfs/dbraw/zinc/41/64/34/669416434.db2.gz MOJZYUONEFKMJA-JHJVBQTASA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1)C(N)=O ZINC001034658231 669416445 /nfs/dbraw/zinc/41/64/45/669416445.db2.gz BPSMZGGTJSZKJJ-IJLUTSLNSA-N 1 0 346.453 -1.087 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1)C(N)=O ZINC001034658232 669417083 /nfs/dbraw/zinc/41/70/83/669417083.db2.gz BPSMZGGTJSZKJJ-SRVKXCTJSA-N 1 0 346.453 -1.087 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)c1=O ZINC001034658811 669417124 /nfs/dbraw/zinc/41/71/24/669417124.db2.gz HVUXGMOKBPFUDU-XYPYZODXSA-N 1 0 337.380 -1.951 20 0 EAADRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001034659222 669417311 /nfs/dbraw/zinc/41/73/11/669417311.db2.gz PWEGPBFRXGYXNL-XYPYZODXSA-N 1 0 332.426 -1.476 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034663954 669415538 /nfs/dbraw/zinc/41/55/38/669415538.db2.gz MZVFSNVCPOXSGP-AVGNSLFASA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034663955 669415860 /nfs/dbraw/zinc/41/58/60/669415860.db2.gz MZVFSNVCPOXSGP-JHJVBQTASA-N 1 0 338.408 -1.249 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCOCC2=O)CC1)C(N)=O ZINC001034664278 669415726 /nfs/dbraw/zinc/41/57/26/669415726.db2.gz RWGNNHZBNOFWKJ-IJLUTSLNSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCOCC2=O)CC1)C(N)=O ZINC001034664279 669415681 /nfs/dbraw/zinc/41/56/81/669415681.db2.gz RWGNNHZBNOFWKJ-SRVKXCTJSA-N 1 0 326.397 -1.264 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001034664697 669415981 /nfs/dbraw/zinc/41/59/81/669415981.db2.gz MHAYEXZXPVSHDU-DBIOUOCHSA-N 1 0 339.396 -1.135 20 0 EAADRO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001034664698 669416022 /nfs/dbraw/zinc/41/60/22/669416022.db2.gz MHAYEXZXPVSHDU-NAKRPEOUSA-N 1 0 339.396 -1.135 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001034664710 669416451 /nfs/dbraw/zinc/41/64/51/669416451.db2.gz MVXSHGWSJSSMSX-KYXWUPHJSA-N 1 0 325.369 -1.525 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001034664711 669416349 /nfs/dbraw/zinc/41/63/49/669416349.db2.gz MVXSHGWSJSSMSX-XKNYDFJKSA-N 1 0 325.369 -1.525 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034664737 669416593 /nfs/dbraw/zinc/41/65/93/669416593.db2.gz OHDZEAVCASAGTC-DBIOUOCHSA-N 1 0 337.380 -1.510 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034664749 669416551 /nfs/dbraw/zinc/41/65/51/669416551.db2.gz OHDZEAVCASAGTC-NAKRPEOUSA-N 1 0 337.380 -1.510 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034664755 669416517 /nfs/dbraw/zinc/41/65/17/669416517.db2.gz OREHLJQXBVBTPO-SRVKXCTJSA-N 1 0 349.395 -1.107 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)nn1 ZINC001034664815 669416507 /nfs/dbraw/zinc/41/65/07/669416507.db2.gz RVBYGDZRPHLKIO-NHCYSSNCSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001034664884 669416487 /nfs/dbraw/zinc/41/64/87/669416487.db2.gz UGTMJJSZUSNDJX-DCAQKATOSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001034665001 669416429 /nfs/dbraw/zinc/41/64/29/669416429.db2.gz YZQSFQSNYZEUJP-NHCYSSNCSA-N 1 0 349.395 -1.070 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1)C(N)=O ZINC001034674698 669418298 /nfs/dbraw/zinc/41/82/98/669418298.db2.gz AZZLGAKTBLQGHG-IJLUTSLNSA-N 1 0 338.412 -1.137 20 0 EAADRO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1)C(N)=O ZINC001034674699 669418497 /nfs/dbraw/zinc/41/84/97/669418497.db2.gz AZZLGAKTBLQGHG-SRVKXCTJSA-N 1 0 338.412 -1.137 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001034674794 669418586 /nfs/dbraw/zinc/41/85/86/669418586.db2.gz BTKYZARKOIQTGU-HAQNSBGRSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]([NH2+]Cc3nnnn3C)CC2)c1=O ZINC001034675080 669418232 /nfs/dbraw/zinc/41/82/32/669418232.db2.gz DMCSVXYWODEVSV-XYPYZODXSA-N 1 0 349.399 -1.678 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]([NH2+]Cc3cnn(C)n3)CC2)c1=O ZINC001034676396 669418425 /nfs/dbraw/zinc/41/84/25/669418425.db2.gz LGFMREGMYILDCR-HAQNSBGRSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]([NH2+]Cc3cnnn3C)CC2)c1=O ZINC001034676455 669418276 /nfs/dbraw/zinc/41/82/76/669418276.db2.gz MSTMJIZBIZZZPE-HAQNSBGRSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)CC2)nn1 ZINC001034676510 669418545 /nfs/dbraw/zinc/41/85/45/669418545.db2.gz NHFCNWLFMUYCLS-HAQNSBGRSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]([NH2+]Cc3ncnn3C)CC2)c1=O ZINC001034676522 669418387 /nfs/dbraw/zinc/41/83/87/669418387.db2.gz NNVKXCQMYQGJJF-HAQNSBGRSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3=O)CC2)c1=O ZINC001034676523 669418639 /nfs/dbraw/zinc/41/86/39/669418639.db2.gz NOAUELZVJSAHLE-IJLUTSLNSA-N 1 0 336.396 -1.513 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCNC3=O)CC2)c1=O ZINC001034676524 669418484 /nfs/dbraw/zinc/41/84/84/669418484.db2.gz NOAUELZVJSAHLE-SRVKXCTJSA-N 1 0 336.396 -1.513 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)c1=O ZINC001034676765 669418161 /nfs/dbraw/zinc/41/81/61/669418161.db2.gz UZQKKKYGHRWFAE-JOCQHMNTSA-N 1 0 348.411 -1.110 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC1=O ZINC001034676854 669418327 /nfs/dbraw/zinc/41/83/27/669418327.db2.gz WUPODFDQQPFKMY-HAQNSBGRSA-N 1 0 325.413 -1.737 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1)C(N)=O ZINC001034676886 669418634 /nfs/dbraw/zinc/41/86/34/669418634.db2.gz XRNCVHQMSTYBAJ-AVGNSLFASA-N 1 0 339.440 -1.349 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1)C(N)=O ZINC001034676887 669418254 /nfs/dbraw/zinc/41/82/54/669418254.db2.gz XRNCVHQMSTYBAJ-JHJVBQTASA-N 1 0 339.440 -1.349 20 0 EAADRO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1)N1CCNC(=O)C1 ZINC001034679421 669418619 /nfs/dbraw/zinc/41/86/19/669418619.db2.gz OWYGEMVHWNQDML-XYPYZODXSA-N 1 0 349.395 -1.606 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)CC1)c1cn[nH]n1 ZINC001034682830 669418915 /nfs/dbraw/zinc/41/89/15/669418915.db2.gz PNKDNLNCCJMZJV-MGCOHNPYSA-N 1 0 335.368 -1.013 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1)C(N)=O ZINC001034684850 669419137 /nfs/dbraw/zinc/41/91/37/669419137.db2.gz BENQSSFKOGSWMZ-DCAQKATOSA-N 1 0 337.380 -1.160 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1)C(N)=O ZINC001034684851 669419005 /nfs/dbraw/zinc/41/90/05/669419005.db2.gz BENQSSFKOGSWMZ-GMTAPVOTSA-N 1 0 337.380 -1.160 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034685294 669419054 /nfs/dbraw/zinc/41/90/54/669419054.db2.gz MXBGGAHXKPPZDJ-IJLUTSLNSA-N 1 0 349.391 -1.146 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034685296 669418895 /nfs/dbraw/zinc/41/88/95/669418895.db2.gz MXBGGAHXKPPZDJ-SRVKXCTJSA-N 1 0 349.391 -1.146 20 0 EAADRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001034693264 669421286 /nfs/dbraw/zinc/42/12/86/669421286.db2.gz VWGFVBQNPBLPCD-HAQNSBGRSA-N 1 0 346.453 -1.086 20 0 EAADRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001034694803 669420975 /nfs/dbraw/zinc/42/09/75/669420975.db2.gz DAQMRWLDVFUCLL-GUBZILKMSA-N 1 0 346.409 -2.598 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001034694912 669420718 /nfs/dbraw/zinc/42/07/18/669420718.db2.gz IVOKFSZHXMOGDH-DCAQKATOSA-N 1 0 335.401 -1.114 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001034694946 669420985 /nfs/dbraw/zinc/42/09/85/669420985.db2.gz JKEZCLXUBLBELI-BJDJZHNGSA-N 1 0 347.437 -1.703 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001034694947 669420618 /nfs/dbraw/zinc/42/06/18/669420618.db2.gz JKEZCLXUBLBELI-KKOKHZNYSA-N 1 0 347.437 -1.703 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001034695148 669420607 /nfs/dbraw/zinc/42/06/07/669420607.db2.gz OGWYPLSYNPUAJD-DCAQKATOSA-N 1 0 333.410 -2.091 20 0 EAADRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001034697546 669421463 /nfs/dbraw/zinc/42/14/63/669421463.db2.gz OYTYNVUXSGGLJT-NHCYSSNCSA-N 1 0 334.380 -1.132 20 0 EAADRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001034702454 669422110 /nfs/dbraw/zinc/42/21/10/669422110.db2.gz UINCECDDBWOCCK-HAQNSBGRSA-N 1 0 346.391 -1.002 20 0 EAADRO Cc1nc(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)nn1-c1nc[nH]n1 ZINC001034703112 669422057 /nfs/dbraw/zinc/42/20/57/669422057.db2.gz OGPCGFSOBJZJTJ-MGCOHNPYSA-N 1 0 347.383 -1.190 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001034704226 669422522 /nfs/dbraw/zinc/42/25/22/669422522.db2.gz KPVZCSNSPYKPHU-JOCQHMNTSA-N 1 0 349.439 -1.236 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCNC3=O)CC2)nc1=O ZINC001034705539 669421437 /nfs/dbraw/zinc/42/14/37/669421437.db2.gz FFFPVRUTAZLAGW-DCAQKATOSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)CC2)nc1=O ZINC001034705542 669421569 /nfs/dbraw/zinc/42/15/69/669421569.db2.gz FFFPVRUTAZLAGW-GMTAPVOTSA-N 1 0 336.396 -1.239 20 0 EAADRO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC001034705750 669422530 /nfs/dbraw/zinc/42/25/30/669422530.db2.gz GCBPQUPPELJRDG-AVGNSLFASA-N 1 0 339.440 -1.301 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC001034705754 669422592 /nfs/dbraw/zinc/42/25/92/669422592.db2.gz GCBPQUPPELJRDG-JHJVBQTASA-N 1 0 339.440 -1.301 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034705808 669421922 /nfs/dbraw/zinc/42/19/22/669421922.db2.gz GOCRBTHXAJZWDA-HDJSIYSDSA-N 1 0 349.439 -1.273 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@H]1CCNC1=O ZINC001034706264 669422977 /nfs/dbraw/zinc/42/29/77/669422977.db2.gz JEMQXTIIBSQADQ-BJDJZHNGSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1CCNC1=O ZINC001034706265 669423301 /nfs/dbraw/zinc/42/33/01/669423301.db2.gz JEMQXTIIBSQADQ-DDHJBXDOSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@H]1CCNC1=O ZINC001034706266 669423027 /nfs/dbraw/zinc/42/30/27/669423027.db2.gz JEMQXTIIBSQADQ-FIQHERPVSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@@H]1CCNC1=O ZINC001034706267 669423011 /nfs/dbraw/zinc/42/30/11/669423011.db2.gz JEMQXTIIBSQADQ-KKOKHZNYSA-N 1 0 336.392 -1.055 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001034706662 669423224 /nfs/dbraw/zinc/42/32/24/669423224.db2.gz ODTXSLMFMWDRCQ-JOCQHMNTSA-N 1 0 349.439 -1.236 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034706853 669423335 /nfs/dbraw/zinc/42/33/35/669423335.db2.gz QCZGPTSKGLHCBG-AVGNSLFASA-N 1 0 337.424 -1.676 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034706855 669423350 /nfs/dbraw/zinc/42/33/50/669423350.db2.gz QCZGPTSKGLHCBG-JHJVBQTASA-N 1 0 337.424 -1.676 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001034706886 669423319 /nfs/dbraw/zinc/42/33/19/669423319.db2.gz QNXTYCTXKZMXAG-JOCQHMNTSA-N 1 0 349.439 -1.236 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)CC2)nn1 ZINC001034707093 669423312 /nfs/dbraw/zinc/42/33/12/669423312.db2.gz VHCPAZKZACWGRA-JOCQHMNTSA-N 1 0 349.439 -1.236 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)CC2)n1 ZINC001034707218 669423063 /nfs/dbraw/zinc/42/30/63/669423063.db2.gz XXTLNIMERBXCLB-JOCQHMNTSA-N 1 0 349.439 -1.236 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC001034707228 669423279 /nfs/dbraw/zinc/42/32/79/669423279.db2.gz YGCFYQACEFRNPG-IJLUTSLNSA-N 1 0 325.413 -1.691 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC1)C(N)=O ZINC001034707229 669423155 /nfs/dbraw/zinc/42/31/55/669423155.db2.gz YGCFYQACEFRNPG-SRVKXCTJSA-N 1 0 325.413 -1.691 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)CC2)n1 ZINC001034707423 669423296 /nfs/dbraw/zinc/42/32/96/669423296.db2.gz GLMDGXYBJGDHOB-XYPYZODXSA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)CC2)n1 ZINC001034707492 669422999 /nfs/dbraw/zinc/42/29/99/669422999.db2.gz JFKASIIGEULXPF-GUBZILKMSA-N 1 0 335.368 -1.354 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)CC2)n1 ZINC001034707494 669423130 /nfs/dbraw/zinc/42/31/30/669423130.db2.gz JFKASIIGEULXPF-OPRDCNLKSA-N 1 0 335.368 -1.354 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCNC3=O)CC2)n1 ZINC001034707641 669423058 /nfs/dbraw/zinc/42/30/58/669423058.db2.gz KUFCDJDAYAFNBZ-XYPYZODXSA-N 1 0 336.400 -1.134 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnnn3C)CC2)NC1=O ZINC001034707755 669423693 /nfs/dbraw/zinc/42/36/93/669423693.db2.gz FKCZECZIRNBNDB-DCAQKATOSA-N 1 0 336.400 -1.249 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnnn3C)CC2)NC1=O ZINC001034707759 669423717 /nfs/dbraw/zinc/42/37/17/669423717.db2.gz FKCZECZIRNBNDB-GMTAPVOTSA-N 1 0 336.400 -1.249 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC001034710384 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C[C@H]1CN(C(=O)C[NH2+][C@H]2CC[C@H](NC(=O)C(N)=O)CC2)CCO1 ZINC001034720857 669423791 /nfs/dbraw/zinc/42/37/91/669423791.db2.gz LFTYBLQEICCOKR-SRVKXCTJSA-N 1 0 326.397 -1.264 20 0 EAADRO Cn1c(C[NH2+][C@H]2CC[C@H](NC(=O)C(N)=O)CC2)cc(=O)n(C)c1=O ZINC001034723301 669424949 /nfs/dbraw/zinc/42/49/49/669424949.db2.gz KQRKENYTABKCEI-MGCOHNPYSA-N 1 0 337.380 -1.914 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+][C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1=O ZINC001034723373 669425048 /nfs/dbraw/zinc/42/50/48/669425048.db2.gz MUFSMPRTVPSBQT-MGCOHNPYSA-N 1 0 339.396 -1.181 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)nc1=O ZINC001034724093 669425168 /nfs/dbraw/zinc/42/51/68/669425168.db2.gz ZHIRLZGSFNSDFW-GUBZILKMSA-N 1 0 337.384 -1.693 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)nc1=O ZINC001034724096 669425069 /nfs/dbraw/zinc/42/50/69/669425069.db2.gz ZHIRLZGSFNSDFW-OPRDCNLKSA-N 1 0 337.384 -1.693 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 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CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001034788948 669429659 /nfs/dbraw/zinc/42/96/59/669429659.db2.gz JUINKCUUBWVBRD-DCAQKATOSA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001034788949 669429868 /nfs/dbraw/zinc/42/98/68/669429868.db2.gz JUINKCUUBWVBRD-GMTAPVOTSA-N 1 0 339.396 -1.181 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001034789024 669429737 /nfs/dbraw/zinc/42/97/37/669429737.db2.gz OPYIMFCZESGHQR-XYPYZODXSA-N 1 0 349.395 -1.124 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034789331 669429827 /nfs/dbraw/zinc/42/98/27/669429827.db2.gz WMSLLGVLUHNZFI-HAQNSBGRSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034789411 669429833 /nfs/dbraw/zinc/42/98/33/669429833.db2.gz BLVUAQAEEKPVLL-DCAQKATOSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034789412 669429776 /nfs/dbraw/zinc/42/97/76/669429776.db2.gz BLVUAQAEEKPVLL-GMTAPVOTSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001034789424 669429852 /nfs/dbraw/zinc/42/98/52/669429852.db2.gz CBPSLCCVOHOMHX-HAQNSBGRSA-N 1 0 349.395 -1.153 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001034789436 669429724 /nfs/dbraw/zinc/42/97/24/669429724.db2.gz XNWNLCMZADZJPP-GUBZILKMSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001034789437 669429843 /nfs/dbraw/zinc/42/98/43/669429843.db2.gz XNWNLCMZADZJPP-OPRDCNLKSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1)C(N)=O ZINC001034789463 669429794 /nfs/dbraw/zinc/42/97/94/669429794.db2.gz YTZWCKDHGISCOF-DCAQKATOSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1)C(N)=O ZINC001034789464 669429861 /nfs/dbraw/zinc/42/98/61/669429861.db2.gz YTZWCKDHGISCOF-GMTAPVOTSA-N 1 0 339.396 -1.229 20 0 EAADRO Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)CC2)nn1 ZINC001034789988 669429635 /nfs/dbraw/zinc/42/96/35/669429635.db2.gz JGXKEICNUJMXTR-XYPYZODXSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001034790425 669429839 /nfs/dbraw/zinc/42/98/39/669429839.db2.gz KZINAIWGBFFCIO-XYPYZODXSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001034790728 669429865 /nfs/dbraw/zinc/42/98/65/669429865.db2.gz OHDFFVGVZSBFSI-XYPYZODXSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001034791085 669429872 /nfs/dbraw/zinc/42/98/72/669429872.db2.gz UAAKXQFYRUDGSP-XYPYZODXSA-N 1 0 349.395 -1.116 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1)C(N)=O ZINC001034792052 669430379 /nfs/dbraw/zinc/43/03/79/669430379.db2.gz DCDSGRIIZCAGGQ-GUBZILKMSA-N 1 0 337.380 -1.010 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1)C(N)=O ZINC001034792053 669430362 /nfs/dbraw/zinc/43/03/62/669430362.db2.gz DCDSGRIIZCAGGQ-OPRDCNLKSA-N 1 0 337.380 -1.010 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034792375 669430386 /nfs/dbraw/zinc/43/03/86/669430386.db2.gz HQGHOPMIXSCEGY-JOCQHMNTSA-N 1 0 333.454 -1.274 20 0 EAADRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001034792412 669430219 /nfs/dbraw/zinc/43/02/19/669430219.db2.gz JCZLCWCVISFHQN-HAQNSBGRSA-N 1 0 346.453 -1.781 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)nn1 ZINC001034795405 669429826 /nfs/dbraw/zinc/42/98/26/669429826.db2.gz CCZKQCCNDNJKRF-HAQNSBGRSA-N 1 0 338.412 -1.011 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)nn1 ZINC001034795482 669429686 /nfs/dbraw/zinc/42/96/86/669429686.db2.gz JIDWADLLFPADPA-MGCOHNPYSA-N 1 0 348.367 -1.023 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCNC3=O)CC2)nn1 ZINC001034795579 669430382 /nfs/dbraw/zinc/43/03/82/669430382.db2.gz KXTVQEXEKCBCKF-DCAQKATOSA-N 1 0 349.395 -1.718 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3=O)CC2)nn1 ZINC001034795580 669430407 /nfs/dbraw/zinc/43/04/07/669430407.db2.gz KXTVQEXEKCBCKF-GMTAPVOTSA-N 1 0 349.395 -1.718 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1)C(N)=O ZINC001034795946 669430274 /nfs/dbraw/zinc/43/02/74/669430274.db2.gz YWPFJPXQJDYBTG-GUBZILKMSA-N 1 0 337.384 -1.732 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1)C(N)=O ZINC001034795947 669430314 /nfs/dbraw/zinc/43/03/14/669430314.db2.gz YWPFJPXQJDYBTG-OPRDCNLKSA-N 1 0 337.384 -1.732 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034796314 669429855 /nfs/dbraw/zinc/42/98/55/669429855.db2.gz CRSWLEMHHRFWOU-AVGNSLFASA-N 1 0 326.397 -1.264 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034796315 669429748 /nfs/dbraw/zinc/42/97/48/669429748.db2.gz CRSWLEMHHRFWOU-JHJVBQTASA-N 1 0 326.397 -1.264 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001034797601 669430299 /nfs/dbraw/zinc/43/02/99/669430299.db2.gz QJZLOLNLPIGVJI-BJDJZHNGSA-N 1 0 344.437 -1.416 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001034797602 669430320 /nfs/dbraw/zinc/43/03/20/669430320.db2.gz QJZLOLNLPIGVJI-DDHJBXDOSA-N 1 0 344.437 -1.416 20 0 EAADRO O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001034797603 669430434 /nfs/dbraw/zinc/43/04/34/669430434.db2.gz QJZLOLNLPIGVJI-FIQHERPVSA-N 1 0 344.437 -1.416 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001034797604 669430331 /nfs/dbraw/zinc/43/03/31/669430331.db2.gz QJZLOLNLPIGVJI-KKOKHZNYSA-N 1 0 344.437 -1.416 20 0 EAADRO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798013 669430229 /nfs/dbraw/zinc/43/02/29/669430229.db2.gz WRJWNDMBRZGEBX-BJDJZHNGSA-N 1 0 346.453 -1.041 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798014 669430358 /nfs/dbraw/zinc/43/03/58/669430358.db2.gz WRJWNDMBRZGEBX-DDHJBXDOSA-N 1 0 346.453 -1.041 20 0 EAADRO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798015 669430385 /nfs/dbraw/zinc/43/03/85/669430385.db2.gz WRJWNDMBRZGEBX-FIQHERPVSA-N 1 0 346.453 -1.041 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798016 669430430 /nfs/dbraw/zinc/43/04/30/669430430.db2.gz WRJWNDMBRZGEBX-KKOKHZNYSA-N 1 0 346.453 -1.041 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798028 669430279 /nfs/dbraw/zinc/43/02/79/669430279.db2.gz XIYBEOCHTFMDIV-DBIOUOCHSA-N 1 0 332.426 -1.431 20 0 EAADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798029 669430238 /nfs/dbraw/zinc/43/02/38/669430238.db2.gz XIYBEOCHTFMDIV-GWOFURMSSA-N 1 0 332.426 -1.431 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798030 669430383 /nfs/dbraw/zinc/43/03/83/669430383.db2.gz XIYBEOCHTFMDIV-NAKRPEOUSA-N 1 0 332.426 -1.431 20 0 EAADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1)C(N)=O ZINC001034798031 669430396 /nfs/dbraw/zinc/43/03/96/669430396.db2.gz XIYBEOCHTFMDIV-XWLWVQCSSA-N 1 0 332.426 -1.431 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001034803263 669430880 /nfs/dbraw/zinc/43/08/80/669430880.db2.gz DFYDAILXLJQUTB-DCAQKATOSA-N 1 0 349.395 -1.220 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001034803264 669430975 /nfs/dbraw/zinc/43/09/75/669430975.db2.gz DFYDAILXLJQUTB-GMTAPVOTSA-N 1 0 349.395 -1.220 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034803647 669430876 /nfs/dbraw/zinc/43/08/76/669430876.db2.gz LRDFXJJDQONKGY-BJDJZHNGSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034803648 669430776 /nfs/dbraw/zinc/43/07/76/669430776.db2.gz LRDFXJJDQONKGY-DDHJBXDOSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034803650 669430862 /nfs/dbraw/zinc/43/08/62/669430862.db2.gz LRDFXJJDQONKGY-FIQHERPVSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034803652 669430912 /nfs/dbraw/zinc/43/09/12/669430912.db2.gz LRDFXJJDQONKGY-KKOKHZNYSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(NCc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1)[C@H]1CNC(=O)N1 ZINC001034823837 669432507 /nfs/dbraw/zinc/43/25/07/669432507.db2.gz JRGYPQDVCFFMFI-CHWSQXEVSA-N 1 0 331.376 -1.038 20 0 EAADRO O=C(NCc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1)[C@@H]1CNC(=O)N1 ZINC001034823840 669432581 /nfs/dbraw/zinc/43/25/81/669432581.db2.gz JRGYPQDVCFFMFI-OLZOCXBDSA-N 1 0 331.376 -1.038 20 0 EAADRO O=C(NCc1ccc(C[NH2+][C@H]2CCNC2=O)cc1)[C@H]1CNC(=O)N1 ZINC001034823842 669432554 /nfs/dbraw/zinc/43/25/54/669432554.db2.gz JRGYPQDVCFFMFI-QWHCGFSZSA-N 1 0 331.376 -1.038 20 0 EAADRO O=C(NCc1ccc(C[NH2+][C@H]2CCNC2=O)cc1)[C@@H]1CNC(=O)N1 ZINC001034823844 669432462 /nfs/dbraw/zinc/43/24/62/669432462.db2.gz JRGYPQDVCFFMFI-STQMWFEESA-N 1 0 331.376 -1.038 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)nc1=O ZINC001034848016 669434227 /nfs/dbraw/zinc/43/42/27/669434227.db2.gz JSCBKTBNHJXNIW-SECBINFHSA-N 1 0 333.352 -1.002 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2=O)nc1=O ZINC001034854871 669433176 /nfs/dbraw/zinc/43/31/76/669433176.db2.gz JEOSFPZNZZKUKF-LLVKDONJSA-N 1 0 336.396 -1.189 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001034855159 669433238 /nfs/dbraw/zinc/43/32/38/669433238.db2.gz UJLKTIJNYCUPDJ-NWDGAFQWSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001034855160 669433103 /nfs/dbraw/zinc/43/31/03/669433103.db2.gz UJLKTIJNYCUPDJ-VXGBXAGGSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(CN1CCCC1=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001034855343 669433257 /nfs/dbraw/zinc/43/32/57/669433257.db2.gz YAXVMRSRKWEQRK-NEPJUHHUSA-N 1 0 336.392 -1.005 20 0 EAADRO O=C(CN1CCCC1=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001034855344 669433151 /nfs/dbraw/zinc/43/31/51/669433151.db2.gz YAXVMRSRKWEQRK-VXGBXAGGSA-N 1 0 336.392 -1.005 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CCn2cncn2)nc1=O ZINC001034863101 669433781 /nfs/dbraw/zinc/43/37/81/669433781.db2.gz QMMQSMPERXGASM-LLVKDONJSA-N 1 0 334.384 -1.129 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2COCCO2)nc1=O ZINC001034868256 669435486 /nfs/dbraw/zinc/43/54/86/669435486.db2.gz XBJRPNZOHAILHG-GHMZBOCLSA-N 1 0 325.369 -1.396 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2COCCO2)nc1=O ZINC001034868259 669436010 /nfs/dbraw/zinc/43/60/10/669436010.db2.gz XBJRPNZOHAILHG-MNOVXSKESA-N 1 0 325.369 -1.396 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001034872127 669435568 /nfs/dbraw/zinc/43/55/68/669435568.db2.gz KIHPKRSLYOEWGA-NXEZZACHSA-N 1 0 331.394 -1.583 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001034872130 669435601 /nfs/dbraw/zinc/43/56/01/669435601.db2.gz KIHPKRSLYOEWGA-ZJUUUORDSA-N 1 0 331.394 -1.583 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)c2nccnc2N)nc1=O ZINC001034886152 669435190 /nfs/dbraw/zinc/43/51/90/669435190.db2.gz AZBJGICXKCOIBD-SECBINFHSA-N 1 0 332.368 -1.125 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@H]3CCCN3C(=O)CC(N)=O)C2=O)n1 ZINC001034886838 669434831 /nfs/dbraw/zinc/43/48/31/669434831.db2.gz AHYDAMXFKMLUML-NEPJUHHUSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCN3C(=O)CC(N)=O)C2=O)n1 ZINC001034886842 669435079 /nfs/dbraw/zinc/43/50/79/669435079.db2.gz AHYDAMXFKMLUML-VXGBXAGGSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H]3CCCN3C(=O)CC(N)=O)C2=O)cn1 ZINC001034887759 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334.384 -1.060 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)nc1=O ZINC001034905674 669436466 /nfs/dbraw/zinc/43/64/66/669436466.db2.gz VISPEANEBGQQOR-GHMZBOCLSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCNC(=O)C2)nc1=O ZINC001034905892 669436692 /nfs/dbraw/zinc/43/66/92/669436692.db2.gz VISPEANEBGQQOR-WDEREUQCSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2COCCN2C)nc1=O ZINC001034912588 669436762 /nfs/dbraw/zinc/43/67/62/669436762.db2.gz YRTAOBOITWMXGQ-NEPJUHHUSA-N 1 0 338.412 -1.480 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2COCCN2C)nc1=O ZINC001034912659 669436725 /nfs/dbraw/zinc/43/67/25/669436725.db2.gz YRTAOBOITWMXGQ-VXGBXAGGSA-N 1 0 338.412 -1.480 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001034913103 669436639 /nfs/dbraw/zinc/43/66/39/669436639.db2.gz GVVFIQJOQMOZEK-NXEZZACHSA-N 1 0 336.352 -1.631 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001034913104 669436610 /nfs/dbraw/zinc/43/66/10/669436610.db2.gz GVVFIQJOQMOZEK-ZJUUUORDSA-N 1 0 336.352 -1.631 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CN=NC2=O)nc1=O ZINC001034913529 669436584 /nfs/dbraw/zinc/43/65/84/669436584.db2.gz PSTOHJHVFCGAQC-SECBINFHSA-N 1 0 336.356 -1.814 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)c1N ZINC001034914648 669437385 /nfs/dbraw/zinc/43/73/85/669437385.db2.gz XJQXHSSYPVMJQJ-SECBINFHSA-N 1 0 334.384 -1.182 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCOCC2)nc1=O ZINC001034915060 669437290 /nfs/dbraw/zinc/43/72/90/669437290.db2.gz LCSXCBGWISYXHH-GFCCVEGCSA-N 1 0 338.412 -1.479 20 0 EAADRO O=C(CN1CCOCC1)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001034915825 669437391 /nfs/dbraw/zinc/43/73/91/669437391.db2.gz UXIZUHXKKDNBGI-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCOCC1)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001034915827 669437161 /nfs/dbraw/zinc/43/71/61/669437161.db2.gz UXIZUHXKKDNBGI-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(=O)n(C)o2)nc1=O ZINC001034918150 669437480 /nfs/dbraw/zinc/43/74/80/669437480.db2.gz AXZIEAATOSBHMI-SECBINFHSA-N 1 0 336.352 -1.206 20 0 EAADRO Cn1oc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)cc1=O ZINC001034918290 669437495 /nfs/dbraw/zinc/43/74/95/669437495.db2.gz FEEUIHXNJLCIAN-NXEZZACHSA-N 1 0 336.348 -1.022 20 0 EAADRO Cn1oc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCC(=O)NC2=O)cc1=O ZINC001034918291 669437453 /nfs/dbraw/zinc/43/74/53/669437453.db2.gz FEEUIHXNJLCIAN-ZJUUUORDSA-N 1 0 336.348 -1.022 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CCn2ccnn2)nc1=O ZINC001034919015 669437178 /nfs/dbraw/zinc/43/71/78/669437178.db2.gz LOQCDEADIGEJCR-LLVKDONJSA-N 1 0 334.384 -1.129 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001034921932 669437217 /nfs/dbraw/zinc/43/72/17/669437217.db2.gz FZCZDQSYSPQQGT-GFCCVEGCSA-N 1 0 336.396 -1.333 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001034923225 669437442 /nfs/dbraw/zinc/43/74/42/669437442.db2.gz VXIOELSKRGMMRY-CHWSQXEVSA-N 1 0 336.392 -1.150 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001034923228 669437203 /nfs/dbraw/zinc/43/72/03/669437203.db2.gz VXIOELSKRGMMRY-OLZOCXBDSA-N 1 0 336.392 -1.150 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CO[C@H]2CCOC2)nc1=O ZINC001034936309 669437296 /nfs/dbraw/zinc/43/72/96/669437296.db2.gz NVTHOJZTNIDPTH-NEPJUHHUSA-N 1 0 339.396 -1.006 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CO[C@@H]2CCOC2)nc1=O ZINC001034936313 669437470 /nfs/dbraw/zinc/43/74/70/669437470.db2.gz NVTHOJZTNIDPTH-VXGBXAGGSA-N 1 0 339.396 -1.006 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001034939218 669438791 /nfs/dbraw/zinc/43/87/91/669438791.db2.gz YXWBWPMYGVUKOJ-NWDGAFQWSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001034939219 669438779 /nfs/dbraw/zinc/43/87/79/669438779.db2.gz YXWBWPMYGVUKOJ-VXGBXAGGSA-N 1 0 342.425 -1.312 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]2C[NH2+]C[C@@H]2CCOC2)n1 ZINC001034940784 669438772 /nfs/dbraw/zinc/43/87/72/669438772.db2.gz DYLOFEPEKALJPS-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]2C[NH2+]C[C@H]2CCOC2)n1 ZINC001034940786 669438658 /nfs/dbraw/zinc/43/86/58/669438658.db2.gz DYLOFEPEKALJPS-VXGBXAGGSA-N 1 0 336.396 -1.006 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001034942165 669437267 /nfs/dbraw/zinc/43/72/67/669437267.db2.gz CRUSSSCGQQXNAT-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001034942224 669437460 /nfs/dbraw/zinc/43/74/60/669437460.db2.gz DXIBLPGVANTGBX-LLVKDONJSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)n1 ZINC001034942286 669437432 /nfs/dbraw/zinc/43/74/32/669437432.db2.gz FRRSSMSQAKOENJ-NXEZZACHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)n1 ZINC001034942291 669437192 /nfs/dbraw/zinc/43/71/92/669437192.db2.gz FRRSSMSQAKOENJ-ZJUUUORDSA-N 1 0 335.368 -2.154 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001034942472 669437362 /nfs/dbraw/zinc/43/73/62/669437362.db2.gz JNUPQIDEIGSWLM-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2cnc(C(N)=O)n2)cn1 ZINC001034942700 669437275 /nfs/dbraw/zinc/43/72/75/669437275.db2.gz PWIUJTNYWPVQAT-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001034942739 669437284 /nfs/dbraw/zinc/43/72/84/669437284.db2.gz QVRWMJNGHKQIRR-LLVKDONJSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCCNC2=O)n1 ZINC001034942756 669437403 /nfs/dbraw/zinc/43/74/03/669437403.db2.gz SIKMJLJMNRIADY-GHMZBOCLSA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCCNC2=O)n1 ZINC001034942757 669437383 /nfs/dbraw/zinc/43/73/83/669437383.db2.gz SIKMJLJMNRIADY-MNOVXSKESA-N 1 0 349.395 -1.764 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001034942873 669437357 /nfs/dbraw/zinc/43/73/57/669437357.db2.gz XLAFJFGIKQRWOW-SNVBAGLBSA-N 1 0 347.383 -1.714 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001034942888 669437240 /nfs/dbraw/zinc/43/72/40/669437240.db2.gz XZECWUDBXQQYQX-GHMZBOCLSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001034942889 669437336 /nfs/dbraw/zinc/43/73/36/669437336.db2.gz XZECWUDBXQQYQX-MNOVXSKESA-N 1 0 349.395 -1.812 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001034944281 669437309 /nfs/dbraw/zinc/43/73/09/669437309.db2.gz CKEFZCYYKMEJIC-LLVKDONJSA-N 1 0 327.410 -1.060 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001034947121 669437873 /nfs/dbraw/zinc/43/78/73/669437873.db2.gz IKMWHOAJJTYIRY-GHMZBOCLSA-N 1 0 343.405 -1.583 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001034947122 669438173 /nfs/dbraw/zinc/43/81/73/669438173.db2.gz IKMWHOAJJTYIRY-MNOVXSKESA-N 1 0 343.405 -1.583 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)C2CS(=O)(=O)C2)C1=O ZINC001034947211 669438157 /nfs/dbraw/zinc/43/81/57/669438157.db2.gz LLHVIMUCAWWAAQ-NEPJUHHUSA-N 1 0 329.422 -1.158 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)C2CS(=O)(=O)C2)C1=O ZINC001034947214 669438050 /nfs/dbraw/zinc/43/80/50/669438050.db2.gz LLHVIMUCAWWAAQ-VXGBXAGGSA-N 1 0 329.422 -1.158 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001034947882 669437826 /nfs/dbraw/zinc/43/78/26/669437826.db2.gz NMFGODHFROSGIC-NEPJUHHUSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001034947888 669438043 /nfs/dbraw/zinc/43/80/43/669438043.db2.gz NMFGODHFROSGIC-VXGBXAGGSA-N 1 0 329.422 -1.110 20 0 EAADRO CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001034950922 669438109 /nfs/dbraw/zinc/43/81/09/669438109.db2.gz CSOKASNMYHNWQL-GHMZBOCLSA-N 1 0 336.396 -1.333 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001034950924 669438082 /nfs/dbraw/zinc/43/80/82/669438082.db2.gz CSOKASNMYHNWQL-WDEREUQCSA-N 1 0 336.396 -1.333 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)c1=O ZINC001034953513 669437994 /nfs/dbraw/zinc/43/79/94/669437994.db2.gz CFHWLBJPSRCLNU-NEPJUHHUSA-N 1 0 349.391 -1.984 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)c1=O ZINC001034953520 669438194 /nfs/dbraw/zinc/43/81/94/669438194.db2.gz CFHWLBJPSRCLNU-VXGBXAGGSA-N 1 0 349.391 -1.984 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H]2CCNC2=O)nc1=O ZINC001034953833 669437911 /nfs/dbraw/zinc/43/79/11/669437911.db2.gz AWGWGXHNEHSQCC-GHMZBOCLSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H]2CCNC2=O)nc1=O ZINC001034953835 669438024 /nfs/dbraw/zinc/43/80/24/669438024.db2.gz 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20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC001035078787 669446139 /nfs/dbraw/zinc/44/61/39/669446139.db2.gz VVVHDLBYUOYIPJ-SNVBAGLBSA-N 1 0 335.368 -1.553 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@H]2CCCN2C(=O)c2nc[nH]n2)n(C)c1=O ZINC001035080944 669446073 /nfs/dbraw/zinc/44/60/73/669446073.db2.gz VBLWWFJYEFKPIQ-SNVBAGLBSA-N 1 0 347.379 -1.404 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@H]2CCCN2C(=O)c2cnon2)n(C)c1=O ZINC001035081692 669446091 /nfs/dbraw/zinc/44/60/91/669446091.db2.gz DMKIGFFXYZLXAL-SNVBAGLBSA-N 1 0 348.363 -1.139 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)CN2CC(=O)NC2=O)C1=O ZINC001035083252 669445966 /nfs/dbraw/zinc/44/59/66/669445966.db2.gz SNKYAIIKKPXGLJ-GHMZBOCLSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)CN2CC(=O)NC2=O)C1=O ZINC001035083262 669446152 /nfs/dbraw/zinc/44/61/52/669446152.db2.gz SNKYAIIKKPXGLJ-MNOVXSKESA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CCn2cnnn2)nc1=O ZINC001035084988 669445913 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20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(=O)NC1=O ZINC001035096320 669452345 /nfs/dbraw/zinc/45/23/45/669452345.db2.gz WEGFAQRYEJKHSY-LLVKDONJSA-N 1 0 349.395 -1.162 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)C1=O ZINC001035098217 669453515 /nfs/dbraw/zinc/45/35/15/669453515.db2.gz BNHNYWWWGUUSPL-GHMZBOCLSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)C1=O ZINC001035098219 669453249 /nfs/dbraw/zinc/45/32/49/669453249.db2.gz BNHNYWWWGUUSPL-MNOVXSKESA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001035098457 669453301 /nfs/dbraw/zinc/45/33/01/669453301.db2.gz FRKYCOSGNHCANF-LLVKDONJSA-N 1 0 349.395 -1.210 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035099630 669453874 /nfs/dbraw/zinc/45/38/74/669453874.db2.gz VUCHWOPHVSKCFK-NXEZZACHSA-N 1 0 345.363 -1.500 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035099633 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347.375 -1.220 20 0 EAADRO Cn1nc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCC(=O)NC2=O)ccc1=O ZINC001035118875 669455342 /nfs/dbraw/zinc/45/53/42/669455342.db2.gz FYBGCSSVQBIVGI-MNOVXSKESA-N 1 0 347.375 -1.220 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035120213 669455822 /nfs/dbraw/zinc/45/58/22/669455822.db2.gz COFLUDGHTUOLIX-NXEZZACHSA-N 1 0 332.364 -1.342 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035120214 669455752 /nfs/dbraw/zinc/45/57/52/669455752.db2.gz COFLUDGHTUOLIX-ZJUUUORDSA-N 1 0 332.364 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001035120436 669455918 /nfs/dbraw/zinc/45/59/18/669455918.db2.gz NZJPSTJKECJBFM-PWSUYJOCSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC001035120437 669456019 /nfs/dbraw/zinc/45/60/19/669456019.db2.gz NZJPSTJKECJBFM-ZYHUDNBSSA-N 1 0 349.395 -1.116 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)C1=O ZINC001035121391 669455974 /nfs/dbraw/zinc/45/59/74/669455974.db2.gz CLLKFSHKFAJDEK-GHMZBOCLSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)C1=O ZINC001035121392 669455795 /nfs/dbraw/zinc/45/57/95/669455795.db2.gz CLLKFSHKFAJDEK-MNOVXSKESA-N 1 0 337.380 -1.651 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001035121750 669455839 /nfs/dbraw/zinc/45/58/39/669455839.db2.gz FLQGEMWAFBRCJX-GHMZBOCLSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001035121752 669456012 /nfs/dbraw/zinc/45/60/12/669456012.db2.gz FLQGEMWAFBRCJX-MNOVXSKESA-N 1 0 337.380 -1.603 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001035121791 669455954 /nfs/dbraw/zinc/45/59/54/669455954.db2.gz HBAKSJVFCUGKIF-LLVKDONJSA-N 1 0 349.395 -1.070 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cnnn2C)C1=O ZINC001035123358 669458214 /nfs/dbraw/zinc/45/82/14/669458214.db2.gz YIDSCXNGLCFIHC-LLVKDONJSA-N 1 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ZINC001035124128 669457936 /nfs/dbraw/zinc/45/79/36/669457936.db2.gz KGUJWQUYAMJSLA-NEPJUHHUSA-N 1 0 336.392 -1.053 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)CN2C(=O)CCC2=O)C1=O ZINC001035124129 669458666 /nfs/dbraw/zinc/45/86/66/669458666.db2.gz KGUJWQUYAMJSLA-VXGBXAGGSA-N 1 0 336.392 -1.053 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001035124512 669458740 /nfs/dbraw/zinc/45/87/40/669458740.db2.gz DDWHOOMMJPTMRT-KOLCDFICSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001035124513 669458705 /nfs/dbraw/zinc/45/87/05/669458705.db2.gz DDWHOOMMJPTMRT-MWLCHTKSSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001035125149 669458831 /nfs/dbraw/zinc/45/88/31/669458831.db2.gz JCNGLEKEYUJZTL-PWSUYJOCSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001035125154 669458798 /nfs/dbraw/zinc/45/87/98/669458798.db2.gz JCNGLEKEYUJZTL-ZYHUDNBSSA-N 1 0 349.391 -1.041 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001035125562 669458569 /nfs/dbraw/zinc/45/85/69/669458569.db2.gz LNNQTAJFPZZCJE-PWSUYJOCSA-N 1 0 349.391 -1.089 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001035125564 669458600 /nfs/dbraw/zinc/45/86/00/669458600.db2.gz LNNQTAJFPZZCJE-ZYHUDNBSSA-N 1 0 349.391 -1.089 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C(N)=O)c2)nc1=O ZINC001035129526 669458840 /nfs/dbraw/zinc/45/88/40/669458840.db2.gz WXTOABGLOJCXAN-SNVBAGLBSA-N 1 0 347.379 -1.070 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001035130366 669459097 /nfs/dbraw/zinc/45/90/97/669459097.db2.gz IJIRYJMDHBEKLY-PWSUYJOCSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001035130367 669459084 /nfs/dbraw/zinc/45/90/84/669459084.db2.gz IJIRYJMDHBEKLY-ZYHUDNBSSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001035132487 669459468 /nfs/dbraw/zinc/45/94/68/669459468.db2.gz AJTRNNYLFOYAIG-LLVKDONJSA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001035132943 669459316 /nfs/dbraw/zinc/45/93/16/669459316.db2.gz FCZDMLKPNLCPMZ-SNVBAGLBSA-N 1 0 347.383 -1.714 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001035133027 669459438 /nfs/dbraw/zinc/45/94/38/669459438.db2.gz IOEAWVBYBCZFST-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001035133474 669459737 /nfs/dbraw/zinc/45/97/37/669459737.db2.gz LIKNQPNVMAUXPT-GHMZBOCLSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001035133482 669459621 /nfs/dbraw/zinc/45/96/21/669459621.db2.gz LIKNQPNVMAUXPT-MNOVXSKESA-N 1 0 349.395 -1.812 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001035134030 669459595 /nfs/dbraw/zinc/45/95/95/669459595.db2.gz RDSRSFOYPAVFTO-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCCNC2=O)nn1 ZINC001035134100 669459842 /nfs/dbraw/zinc/45/98/42/669459842.db2.gz UAHQGWOHALWMAB-GHMZBOCLSA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCCNC2=O)nn1 ZINC001035134102 669459974 /nfs/dbraw/zinc/45/99/74/669459974.db2.gz UAHQGWOHALWMAB-MNOVXSKESA-N 1 0 349.395 -1.764 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001035134336 669459877 /nfs/dbraw/zinc/45/98/77/669459877.db2.gz WHLVXHQKEONHLN-LLVKDONJSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H]2CCOC2)nn1 ZINC001035134432 669460446 /nfs/dbraw/zinc/46/04/46/669460446.db2.gz YPMWCCLWUHKSTN-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]C[C@H]2CCOC2)nn1 ZINC001035134434 669460385 /nfs/dbraw/zinc/46/03/85/669460385.db2.gz YPMWCCLWUHKSTN-VXGBXAGGSA-N 1 0 336.396 -1.006 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)n1 ZINC001035134448 669460433 /nfs/dbraw/zinc/46/04/33/669460433.db2.gz ZATKGYHCWSFBEO-GFCCVEGCSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)nn1 ZINC001035134461 669460466 /nfs/dbraw/zinc/46/04/66/669460466.db2.gz ZSHYPWPTSIZZEA-NXEZZACHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)nn1 ZINC001035134463 669460401 /nfs/dbraw/zinc/46/04/01/669460401.db2.gz ZSHYPWPTSIZZEA-ZJUUUORDSA-N 1 0 335.368 -2.154 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n(C)c1=O ZINC001035136735 669460724 /nfs/dbraw/zinc/46/07/24/669460724.db2.gz JTFUBKXOWALORJ-SNVBAGLBSA-N 1 0 349.395 -1.460 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001035137736 669461405 /nfs/dbraw/zinc/46/14/05/669461405.db2.gz ZCUWHEUXNPFRIC-GHMZBOCLSA-N 1 0 349.391 -1.277 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001035137737 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20 0 EAADRO NC(=O)CC(=O)N1CCC2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035168723 669462685 /nfs/dbraw/zinc/46/26/85/669462685.db2.gz NLSUFXNWPGRPJE-LLVKDONJSA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CCC2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035168842 669462601 /nfs/dbraw/zinc/46/26/01/669462601.db2.gz NLSUFXNWPGRPJE-NSHDSACASA-N 1 0 336.392 -1.019 20 0 EAADRO O=C(Cn1ncnn1)N1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035185996 669462993 /nfs/dbraw/zinc/46/29/93/669462993.db2.gz PADNQHOWZKAOCN-GFCCVEGCSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001035185997 669463061 /nfs/dbraw/zinc/46/30/61/669463061.db2.gz PADNQHOWZKAOCN-LBPRGKRZSA-N 1 0 333.396 -1.124 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC3(CC[N@H+](CCO)C3)CC2)n1 ZINC001035186821 669463088 /nfs/dbraw/zinc/46/30/88/669463088.db2.gz KOQQHBOSLVJIAW-UHFFFAOYSA-N 1 0 336.396 -1.316 20 0 EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cnc(C(N)=O)n1)CC2 ZINC001035187371 669463017 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EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCNC(=O)C1)CC2 ZINC001035213982 669464171 /nfs/dbraw/zinc/46/41/71/669464171.db2.gz UDGQJFYDUGEBPV-UHFFFAOYSA-N 1 0 337.424 -1.782 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001035220329 669463620 /nfs/dbraw/zinc/46/36/20/669463620.db2.gz AWRSOWRSJVHSEH-NEPJUHHUSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035220331 669463821 /nfs/dbraw/zinc/46/38/21/669463821.db2.gz AWRSOWRSJVHSEH-NWDGAFQWSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001035220332 669463847 /nfs/dbraw/zinc/46/38/47/669463847.db2.gz AWRSOWRSJVHSEH-RYUDHWBXSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035220334 669463791 /nfs/dbraw/zinc/46/37/91/669463791.db2.gz AWRSOWRSJVHSEH-VXGBXAGGSA-N 1 0 335.408 -1.129 20 0 EAADRO NC(=O)C(=O)N1CCC2(CC[N@H+](CC(=O)N3CCOCC3)C2)CC1 ZINC001035221135 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336.392 -1.161 20 0 EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC(=O)NC1=O)CC2 ZINC001035240607 669464761 /nfs/dbraw/zinc/46/47/61/669464761.db2.gz ZAFWJQJBKXYXTP-UHFFFAOYSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1C(=O)CCC1=O)CC2 ZINC001035253229 669465427 /nfs/dbraw/zinc/46/54/27/669465427.db2.gz DOEPZRHIHGTLNV-UHFFFAOYSA-N 1 0 336.392 -1.065 20 0 EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1C(=O)CNC1=O)CC2 ZINC001035253410 669465643 /nfs/dbraw/zinc/46/56/43/669465643.db2.gz IHZGCFDLDXEGDI-UHFFFAOYSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1nccnc1C(N)=O)CC2 ZINC001035253655 669465524 /nfs/dbraw/zinc/46/55/24/669465524.db2.gz RYERTZZDRQIPNO-UHFFFAOYSA-N 1 0 346.391 -1.011 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035256392 669464905 /nfs/dbraw/zinc/46/49/05/669464905.db2.gz XLDTWWXQGLLKOR-GFCCVEGCSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035256393 669464855 /nfs/dbraw/zinc/46/48/55/669464855.db2.gz XLDTWWXQGLLKOR-LBPRGKRZSA-N 1 0 331.438 -1.015 20 0 EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCS(=O)(=O)N1)CC2 ZINC001035256509 669464799 /nfs/dbraw/zinc/46/47/99/669464799.db2.gz YGUNFPGDXZBFEK-LLVKDONJSA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2 ZINC001035256510 669464860 /nfs/dbraw/zinc/46/48/60/669464860.db2.gz YGUNFPGDXZBFEK-NSHDSACASA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC3(CC[N@H+](CC(N)=O)C3)CC2)nn1 ZINC001035257203 669464867 /nfs/dbraw/zinc/46/48/67/669464867.db2.gz SJWNSMUAPVSSGR-UHFFFAOYSA-N 1 0 349.395 -1.823 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC3(CC[N@H+](CCO)C3)CC2)nn1 ZINC001035257864 669464897 /nfs/dbraw/zinc/46/48/97/669464897.db2.gz YMYAJMAINAAQNB-UHFFFAOYSA-N 1 0 336.396 -1.316 20 0 EAADRO Cn1cc(C(=O)N2CCC3(CC[N@H+](CC(N)=O)C3)CC2)c(=O)[nH]c1=O ZINC001035258807 669464750 /nfs/dbraw/zinc/46/47/50/669464750.db2.gz QPSYYUODVWLRSI-UHFFFAOYSA-N 1 0 349.391 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669469943 /nfs/dbraw/zinc/46/99/43/669469943.db2.gz DPPXLDKZGOHMQA-STQMWFEESA-N 1 0 333.454 -1.058 20 0 EAADRO Cn1[nH]c(CN2CCO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001035308561 669470180 /nfs/dbraw/zinc/47/01/80/669470180.db2.gz YLTKOYNAUSAFNV-NEPJUHHUSA-N 1 0 338.412 -1.480 20 0 EAADRO Cn1[nH]c(CN2CCO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001035308564 669470030 /nfs/dbraw/zinc/47/00/30/669470030.db2.gz YLTKOYNAUSAFNV-NWDGAFQWSA-N 1 0 338.412 -1.480 20 0 EAADRO Cn1[nH]c(CN2CCO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001035308565 669469964 /nfs/dbraw/zinc/46/99/64/669469964.db2.gz YLTKOYNAUSAFNV-RYUDHWBXSA-N 1 0 338.412 -1.480 20 0 EAADRO Cn1[nH]c(CN2CCO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001035308566 669469997 /nfs/dbraw/zinc/46/99/97/669469997.db2.gz YLTKOYNAUSAFNV-VXGBXAGGSA-N 1 0 338.412 -1.480 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCN2CCNC2=O)CCO1 ZINC001035312245 669470586 /nfs/dbraw/zinc/47/05/86/669470586.db2.gz HPPFCAMLHKBTQA-KBPBESRZSA-N 1 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EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCN3CCNC3=O)CCO2)C1 ZINC001035612172 669522159 /nfs/dbraw/zinc/52/21/59/669522159.db2.gz BTPZTAWBKVPFNV-KBPBESRZSA-N 1 0 339.440 -1.220 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCN3CCNC3=O)CCO2)C1 ZINC001035612175 669521992 /nfs/dbraw/zinc/52/19/92/669521992.db2.gz BTPZTAWBKVPFNV-KGLIPLIRSA-N 1 0 339.440 -1.220 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCN3CCNC3=O)CCO2)C1 ZINC001035612177 669522102 /nfs/dbraw/zinc/52/21/02/669522102.db2.gz BTPZTAWBKVPFNV-UONOGXRCSA-N 1 0 339.440 -1.220 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCN3CCNC3=O)CCO2)C1 ZINC001035612180 669522074 /nfs/dbraw/zinc/52/20/74/669522074.db2.gz BTPZTAWBKVPFNV-ZIAGYGMSSA-N 1 0 339.440 -1.220 20 0 EAADRO O=C(Cn1cnnn1)N1CCC2(C[NH+](CCN3CCNC3=O)C2)CC1 ZINC001035645793 669524217 /nfs/dbraw/zinc/52/42/17/669524217.db2.gz MBNFFTIZOLQLNI-UHFFFAOYSA-N 1 0 348.411 -1.377 20 0 EAADRO O=C(Cn1cnnn1)N1CCC2(C[NH+](CCn3cncn3)C2)CC1 ZINC001035646191 669524110 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ZINC001035789803 669529465 /nfs/dbraw/zinc/52/94/65/669529465.db2.gz CHJDOBNEWHMDOM-UHFFFAOYSA-N 1 0 343.409 -1.413 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035808909 669532060 /nfs/dbraw/zinc/53/20/60/669532060.db2.gz FBYJSWWEKNOHJQ-UHFFFAOYSA-N 1 0 346.391 -1.192 20 0 EAADRO Cn1cc(C(=O)N2CCC3(C[NH+](CCO)C3)CC2)c(=O)n(C)c1=O ZINC001035809006 669532092 /nfs/dbraw/zinc/53/20/92/669532092.db2.gz HNXHTIZQAWCEBI-UHFFFAOYSA-N 1 0 336.392 -1.386 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1=O ZINC001035809962 669532021 /nfs/dbraw/zinc/53/20/21/669532021.db2.gz RAXYBPXTKUIYRP-UHFFFAOYSA-N 1 0 338.364 -1.676 20 0 EAADRO CN1CC[C@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)S1(=O)=O ZINC001035816254 669530039 /nfs/dbraw/zinc/53/00/39/669530039.db2.gz PWZUQBOLZGAKIW-GFCCVEGCSA-N 1 0 331.438 -1.063 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)S1(=O)=O ZINC001035816255 669530406 /nfs/dbraw/zinc/53/04/06/669530406.db2.gz PWZUQBOLZGAKIW-LBPRGKRZSA-N 1 0 331.438 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20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC3(C[NH+](CCCO)C3)CC2)nn1 ZINC001035855912 669533522 /nfs/dbraw/zinc/53/35/22/669533522.db2.gz CQYLFNJJBIPCAH-UHFFFAOYSA-N 1 0 336.396 -1.316 20 0 EAADRO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)c1cn(CC(N)=O)nn1)CC2 ZINC001035855926 669533416 /nfs/dbraw/zinc/53/34/16/669533416.db2.gz CYGCPIVMJPCFCC-LLVKDONJSA-N 1 0 336.396 -1.318 20 0 EAADRO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)c1cn(CC(N)=O)nn1)CC2 ZINC001035855927 669533176 /nfs/dbraw/zinc/53/31/76/669533176.db2.gz CYGCPIVMJPCFCC-NSHDSACASA-N 1 0 336.396 -1.318 20 0 EAADRO COCC[NH+]1CC2(C1)CCN(C(=O)c1cn(CC(N)=O)nn1)CC2 ZINC001035857375 669533538 /nfs/dbraw/zinc/53/35/38/669533538.db2.gz SCDBMMDTSCOZGI-UHFFFAOYSA-N 1 0 336.396 -1.052 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC001035870119 669534463 /nfs/dbraw/zinc/53/44/63/669534463.db2.gz QXUXWQJZYHFPRH-NEPJUHHUSA-N 1 0 326.397 -1.582 20 0 EAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001035870125 669534013 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HYEUKLBOVNMZRN-NWDGAFQWSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001035932525 669539956 /nfs/dbraw/zinc/53/99/56/669539956.db2.gz HYEUKLBOVNMZRN-RYUDHWBXSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001035932527 669539491 /nfs/dbraw/zinc/53/94/91/669539491.db2.gz HYEUKLBOVNMZRN-VXGBXAGGSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001035933819 669539486 /nfs/dbraw/zinc/53/94/86/669539486.db2.gz OPGNIECDCFKORR-NXEZZACHSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001035933820 669539468 /nfs/dbraw/zinc/53/94/68/669539468.db2.gz OPGNIECDCFKORR-UWVGGRQHSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001035933821 669539925 /nfs/dbraw/zinc/53/99/25/669539925.db2.gz OPGNIECDCFKORR-VHSXEESVSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001035933822 669539947 /nfs/dbraw/zinc/53/99/47/669539947.db2.gz OPGNIECDCFKORR-ZJUUUORDSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001035934125 669539835 /nfs/dbraw/zinc/53/98/35/669539835.db2.gz PSSFMEIPJPDNCS-NXEZZACHSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001035934127 669539885 /nfs/dbraw/zinc/53/98/85/669539885.db2.gz PSSFMEIPJPDNCS-UWVGGRQHSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001035934128 669539774 /nfs/dbraw/zinc/53/97/74/669539774.db2.gz PSSFMEIPJPDNCS-VHSXEESVSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001035934129 669539850 /nfs/dbraw/zinc/53/98/50/669539850.db2.gz PSSFMEIPJPDNCS-ZJUUUORDSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 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346.453 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001035950084 669540969 /nfs/dbraw/zinc/54/09/69/669540969.db2.gz CJAAMPDXTOLXLI-VXGBXAGGSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001035952360 669541117 /nfs/dbraw/zinc/54/11/17/669541117.db2.gz GOGZBTPCLZIWMF-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001035952361 669541156 /nfs/dbraw/zinc/54/11/56/669541156.db2.gz GOGZBTPCLZIWMF-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001035952362 669541014 /nfs/dbraw/zinc/54/10/14/669541014.db2.gz GOGZBTPCLZIWMF-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001035952365 669541251 /nfs/dbraw/zinc/54/12/51/669541251.db2.gz GOGZBTPCLZIWMF-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 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RVSASBIHBYZBHR-UWVGGRQHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001035968824 669540268 /nfs/dbraw/zinc/54/02/68/669540268.db2.gz RVSASBIHBYZBHR-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001035968826 669540261 /nfs/dbraw/zinc/54/02/61/669540261.db2.gz RVSASBIHBYZBHR-ZJUUUORDSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001035992393 669542504 /nfs/dbraw/zinc/54/25/04/669542504.db2.gz OOXBHRFBOYNXEZ-NXEZZACHSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001035992394 669542451 /nfs/dbraw/zinc/54/24/51/669542451.db2.gz OOXBHRFBOYNXEZ-UWVGGRQHSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001035992396 669542278 /nfs/dbraw/zinc/54/22/78/669542278.db2.gz OOXBHRFBOYNXEZ-VHSXEESVSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001035992398 669542332 /nfs/dbraw/zinc/54/23/32/669542332.db2.gz OOXBHRFBOYNXEZ-ZJUUUORDSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001035992901 669542539 /nfs/dbraw/zinc/54/25/39/669542539.db2.gz RDTGFTRTYUUOEH-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001035992904 669542359 /nfs/dbraw/zinc/54/23/59/669542359.db2.gz RDTGFTRTYUUOEH-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001035992906 669542533 /nfs/dbraw/zinc/54/25/33/669542533.db2.gz RDTGFTRTYUUOEH-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001035992909 669542492 /nfs/dbraw/zinc/54/24/92/669542492.db2.gz RDTGFTRTYUUOEH-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036005342 669542618 /nfs/dbraw/zinc/54/26/18/669542618.db2.gz RTQLWWHIKXDBFJ-GHMZBOCLSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036005344 669542309 /nfs/dbraw/zinc/54/23/09/669542309.db2.gz RTQLWWHIKXDBFJ-MNOVXSKESA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036005345 669542585 /nfs/dbraw/zinc/54/25/85/669542585.db2.gz RTQLWWHIKXDBFJ-QWRGUYRKSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036005346 669542510 /nfs/dbraw/zinc/54/25/10/669542510.db2.gz RTQLWWHIKXDBFJ-WDEREUQCSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036012440 669543105 /nfs/dbraw/zinc/54/31/05/669543105.db2.gz WVGBJJIPEUUYKO-GHMZBOCLSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036012441 669543042 /nfs/dbraw/zinc/54/30/42/669543042.db2.gz WVGBJJIPEUUYKO-MNOVXSKESA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036012443 669543055 /nfs/dbraw/zinc/54/30/55/669543055.db2.gz WVGBJJIPEUUYKO-QWRGUYRKSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036012444 669543150 /nfs/dbraw/zinc/54/31/50/669543150.db2.gz WVGBJJIPEUUYKO-WDEREUQCSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036018277 669543165 /nfs/dbraw/zinc/54/31/65/669543165.db2.gz YGYLTUCHSBJQMP-GHMZBOCLSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036018280 669543107 /nfs/dbraw/zinc/54/31/07/669543107.db2.gz YGYLTUCHSBJQMP-MNOVXSKESA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036018282 669543186 /nfs/dbraw/zinc/54/31/86/669543186.db2.gz YGYLTUCHSBJQMP-QWRGUYRKSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036018284 669543172 /nfs/dbraw/zinc/54/31/72/669543172.db2.gz YGYLTUCHSBJQMP-WDEREUQCSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036018657 669543144 /nfs/dbraw/zinc/54/31/44/669543144.db2.gz AGNWWUZALCFMAD-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036018660 669543121 /nfs/dbraw/zinc/54/31/21/669543121.db2.gz AGNWWUZALCFMAD-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036018663 669543088 /nfs/dbraw/zinc/54/30/88/669543088.db2.gz AGNWWUZALCFMAD-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036018666 669543095 /nfs/dbraw/zinc/54/30/95/669543095.db2.gz AGNWWUZALCFMAD-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036019282 669543047 /nfs/dbraw/zinc/54/30/47/669543047.db2.gz FIJRGZLPDGAEMZ-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036019283 669543034 /nfs/dbraw/zinc/54/30/34/669543034.db2.gz FIJRGZLPDGAEMZ-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036019284 669542899 /nfs/dbraw/zinc/54/28/99/669542899.db2.gz FIJRGZLPDGAEMZ-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036019285 669542910 /nfs/dbraw/zinc/54/29/10/669542910.db2.gz FIJRGZLPDGAEMZ-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036021290 669543012 /nfs/dbraw/zinc/54/30/12/669543012.db2.gz MCHNGYBVZTYMIB-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036021291 669542993 /nfs/dbraw/zinc/54/29/93/669542993.db2.gz MCHNGYBVZTYMIB-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036021292 669543182 /nfs/dbraw/zinc/54/31/82/669543182.db2.gz MCHNGYBVZTYMIB-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036021293 669542873 /nfs/dbraw/zinc/54/28/73/669542873.db2.gz MCHNGYBVZTYMIB-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036027686 669542341 /nfs/dbraw/zinc/54/23/41/669542341.db2.gz UXEUUNQBZBGQEW-NEPJUHHUSA-N 1 0 348.407 -1.192 20 0 EAADRO C[C@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036027687 669542574 /nfs/dbraw/zinc/54/25/74/669542574.db2.gz UXEUUNQBZBGQEW-NWDGAFQWSA-N 1 0 348.407 -1.192 20 0 EAADRO C[C@H]1CN(C(=O)c2ncc[nH]2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036027689 669542610 /nfs/dbraw/zinc/54/26/10/669542610.db2.gz UXEUUNQBZBGQEW-RYUDHWBXSA-N 1 0 348.407 -1.192 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036027690 669542289 /nfs/dbraw/zinc/54/22/89/669542289.db2.gz UXEUUNQBZBGQEW-VXGBXAGGSA-N 1 0 348.407 -1.192 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036032723 669542261 /nfs/dbraw/zinc/54/22/61/669542261.db2.gz LKEULAPHBQPOAG-NEPJUHHUSA-N 1 0 349.395 -1.351 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036032725 669542614 /nfs/dbraw/zinc/54/26/14/669542614.db2.gz LKEULAPHBQPOAG-NWDGAFQWSA-N 1 0 349.395 -1.351 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036032727 669542474 /nfs/dbraw/zinc/54/24/74/669542474.db2.gz LKEULAPHBQPOAG-RYUDHWBXSA-N 1 0 349.395 -1.351 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036032728 669542482 /nfs/dbraw/zinc/54/24/82/669542482.db2.gz LKEULAPHBQPOAG-VXGBXAGGSA-N 1 0 349.395 -1.351 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036035461 669543058 /nfs/dbraw/zinc/54/30/58/669543058.db2.gz VHOCZUUOIMMJKZ-NXEZZACHSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036035464 669543161 /nfs/dbraw/zinc/54/31/61/669543161.db2.gz VHOCZUUOIMMJKZ-UWVGGRQHSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036035467 669543156 /nfs/dbraw/zinc/54/31/56/669543156.db2.gz VHOCZUUOIMMJKZ-VHSXEESVSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036035469 669543077 /nfs/dbraw/zinc/54/30/77/669543077.db2.gz VHOCZUUOIMMJKZ-ZJUUUORDSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036035847 669544426 /nfs/dbraw/zinc/54/44/26/669544426.db2.gz VZBVELMIVLNDBB-NEPJUHHUSA-N 1 0 336.400 -1.475 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036035848 669544533 /nfs/dbraw/zinc/54/45/33/669544533.db2.gz VZBVELMIVLNDBB-NWDGAFQWSA-N 1 0 336.400 -1.475 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036035855 669544525 /nfs/dbraw/zinc/54/45/25/669544525.db2.gz VZBVELMIVLNDBB-RYUDHWBXSA-N 1 0 336.400 -1.475 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036035856 669544378 /nfs/dbraw/zinc/54/43/78/669544378.db2.gz VZBVELMIVLNDBB-VXGBXAGGSA-N 1 0 336.400 -1.475 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1[NH2+]Cc1cnon1 ZINC001036039056 669543132 /nfs/dbraw/zinc/54/31/32/669543132.db2.gz NOXPUCHNIZZREL-GXSJLCMTSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1[NH2+]Cc1cnon1 ZINC001036039057 669543166 /nfs/dbraw/zinc/54/31/66/669543166.db2.gz NOXPUCHNIZZREL-KOLCDFICSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1[NH2+]Cc1cnon1 ZINC001036039058 669543176 /nfs/dbraw/zinc/54/31/76/669543176.db2.gz NOXPUCHNIZZREL-MWLCHTKSSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1[NH2+]Cc1cnon1 ZINC001036039059 669543548 /nfs/dbraw/zinc/54/35/48/669543548.db2.gz NOXPUCHNIZZREL-ONGXEEELSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036041324 669543559 /nfs/dbraw/zinc/54/35/59/669543559.db2.gz BQNFREIDCOSQGB-GXSJLCMTSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036041326 669543785 /nfs/dbraw/zinc/54/37/85/669543785.db2.gz BQNFREIDCOSQGB-KOLCDFICSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036041328 669543499 /nfs/dbraw/zinc/54/34/99/669543499.db2.gz BQNFREIDCOSQGB-MWLCHTKSSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036041330 669543754 /nfs/dbraw/zinc/54/37/54/669543754.db2.gz BQNFREIDCOSQGB-ONGXEEELSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036045671 669543566 /nfs/dbraw/zinc/54/35/66/669543566.db2.gz CIAUCYGRKRLSGJ-NEPJUHHUSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036045673 669543829 /nfs/dbraw/zinc/54/38/29/669543829.db2.gz CIAUCYGRKRLSGJ-NWDGAFQWSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036045675 669543830 /nfs/dbraw/zinc/54/38/30/669543830.db2.gz CIAUCYGRKRLSGJ-RYUDHWBXSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036045678 669543752 /nfs/dbraw/zinc/54/37/52/669543752.db2.gz CIAUCYGRKRLSGJ-VXGBXAGGSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036052050 669543470 /nfs/dbraw/zinc/54/34/70/669543470.db2.gz FUFPELCOMRUYRY-GHMZBOCLSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036052053 669543806 /nfs/dbraw/zinc/54/38/06/669543806.db2.gz FUFPELCOMRUYRY-MNOVXSKESA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036052056 669543838 /nfs/dbraw/zinc/54/38/38/669543838.db2.gz FUFPELCOMRUYRY-QWRGUYRKSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036052060 669543827 /nfs/dbraw/zinc/54/38/27/669543827.db2.gz FUFPELCOMRUYRY-WDEREUQCSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036052360 669543459 /nfs/dbraw/zinc/54/34/59/669543459.db2.gz GROOOWYBSUNHEY-GHMZBOCLSA-N 1 0 337.380 -2.141 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036052370 669543704 /nfs/dbraw/zinc/54/37/04/669543704.db2.gz GROOOWYBSUNHEY-MNOVXSKESA-N 1 0 337.380 -2.141 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036052371 669543789 /nfs/dbraw/zinc/54/37/89/669543789.db2.gz GROOOWYBSUNHEY-QWRGUYRKSA-N 1 0 337.380 -2.141 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036052372 669544121 /nfs/dbraw/zinc/54/41/21/669544121.db2.gz GROOOWYBSUNHEY-WDEREUQCSA-N 1 0 337.380 -2.141 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036058200 669544349 /nfs/dbraw/zinc/54/43/49/669544349.db2.gz ZPEDEINJFHGJNG-GHMZBOCLSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036058203 669544235 /nfs/dbraw/zinc/54/42/35/669544235.db2.gz ZPEDEINJFHGJNG-MNOVXSKESA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036058206 669544467 /nfs/dbraw/zinc/54/44/67/669544467.db2.gz ZPEDEINJFHGJNG-QWRGUYRKSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036058209 669544276 /nfs/dbraw/zinc/54/42/76/669544276.db2.gz ZPEDEINJFHGJNG-WDEREUQCSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036059984 669544391 /nfs/dbraw/zinc/54/43/91/669544391.db2.gz AJJBGZMIJWCCTJ-GHMZBOCLSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036059990 669544108 /nfs/dbraw/zinc/54/41/08/669544108.db2.gz AJJBGZMIJWCCTJ-MNOVXSKESA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036059992 669544282 /nfs/dbraw/zinc/54/42/82/669544282.db2.gz AJJBGZMIJWCCTJ-QWRGUYRKSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036059995 669544341 /nfs/dbraw/zinc/54/43/41/669544341.db2.gz AJJBGZMIJWCCTJ-WDEREUQCSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036074960 669546894 /nfs/dbraw/zinc/54/68/94/669546894.db2.gz RMIOSPSAUGJHTP-NXEZZACHSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036074962 669546830 /nfs/dbraw/zinc/54/68/30/669546830.db2.gz RMIOSPSAUGJHTP-UWVGGRQHSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036074965 669546800 /nfs/dbraw/zinc/54/68/00/669546800.db2.gz RMIOSPSAUGJHTP-VHSXEESVSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036074968 669547055 /nfs/dbraw/zinc/54/70/55/669547055.db2.gz RMIOSPSAUGJHTP-ZJUUUORDSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036078218 669546943 /nfs/dbraw/zinc/54/69/43/669546943.db2.gz CCEJDVWXXQQGJR-NEPJUHHUSA-N 1 0 325.413 -1.928 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001036078219 669546936 /nfs/dbraw/zinc/54/69/36/669546936.db2.gz CCEJDVWXXQQGJR-NWDGAFQWSA-N 1 0 325.413 -1.928 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036078220 669547039 /nfs/dbraw/zinc/54/70/39/669547039.db2.gz CCEJDVWXXQQGJR-RYUDHWBXSA-N 1 0 325.413 -1.928 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1[NH2+]CC(N)=O 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YPJWQCFYUMDAMN-WPRPVWTQSA-N 1 0 344.393 -1.148 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1[NH2+]CCn1cncn1 ZINC001036086253 669544290 /nfs/dbraw/zinc/54/42/90/669544290.db2.gz JWMDGUABMJSJCQ-CHWSQXEVSA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036086255 669544271 /nfs/dbraw/zinc/54/42/71/669544271.db2.gz JWMDGUABMJSJCQ-OLZOCXBDSA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1[NH2+]CCn1cncn1 ZINC001036086258 669544420 /nfs/dbraw/zinc/54/44/20/669544420.db2.gz JWMDGUABMJSJCQ-QWHCGFSZSA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036086262 669544485 /nfs/dbraw/zinc/54/44/85/669544485.db2.gz JWMDGUABMJSJCQ-STQMWFEESA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036086488 669544308 /nfs/dbraw/zinc/54/43/08/669544308.db2.gz ABAICYOFAMYLTL-GHMZBOCLSA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036086489 669544193 /nfs/dbraw/zinc/54/41/93/669544193.db2.gz ABAICYOFAMYLTL-MNOVXSKESA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036086490 669544368 /nfs/dbraw/zinc/54/43/68/669544368.db2.gz ABAICYOFAMYLTL-QWRGUYRKSA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036086491 669544300 /nfs/dbraw/zinc/54/43/00/669544300.db2.gz ABAICYOFAMYLTL-WDEREUQCSA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036089878 669545111 /nfs/dbraw/zinc/54/51/11/669545111.db2.gz JLICWHQQWQKFLL-BDAKNGLRSA-N 1 0 344.393 -1.148 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1[NH2+]CC(N)=O ZINC001036089883 669545192 /nfs/dbraw/zinc/54/51/92/669545192.db2.gz JLICWHQQWQKFLL-DTWKUNHWSA-N 1 0 344.393 -1.148 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1[NH2+]CC(N)=O 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UNELNTQUAWZJRF-ZJUUUORDSA-N 1 0 335.368 -1.203 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036111577 669547344 /nfs/dbraw/zinc/54/73/44/669547344.db2.gz JLFOSXAJFQEWSV-NEPJUHHUSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036111580 669547365 /nfs/dbraw/zinc/54/73/65/669547365.db2.gz JLFOSXAJFQEWSV-NWDGAFQWSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036111583 669547312 /nfs/dbraw/zinc/54/73/12/669547312.db2.gz JLFOSXAJFQEWSV-RYUDHWBXSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036111586 669547426 /nfs/dbraw/zinc/54/74/26/669547426.db2.gz JLFOSXAJFQEWSV-VXGBXAGGSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036114285 669547606 /nfs/dbraw/zinc/54/76/06/669547606.db2.gz CJLPHWFJAZXQIY-GHMZBOCLSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036114286 669547454 /nfs/dbraw/zinc/54/74/54/669547454.db2.gz CJLPHWFJAZXQIY-MNOVXSKESA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036114287 669547683 /nfs/dbraw/zinc/54/76/83/669547683.db2.gz CJLPHWFJAZXQIY-QWRGUYRKSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036114288 669547673 /nfs/dbraw/zinc/54/76/73/669547673.db2.gz CJLPHWFJAZXQIY-WDEREUQCSA-N 1 0 346.395 -1.056 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C2)nn1-c1nc[nH]n1 ZINC001036124473 669547694 /nfs/dbraw/zinc/54/76/94/669547694.db2.gz AALQVMMJURXTBO-PSASIEDQSA-N 1 0 347.383 -1.381 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H](C)C2)nn1-c1nc[nH]n1 ZINC001036124474 669547657 /nfs/dbraw/zinc/54/76/57/669547657.db2.gz AALQVMMJURXTBO-SCZZXKLOSA-N 1 0 347.383 -1.381 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C2)nn1-c1nc[nH]n1 ZINC001036124475 669547584 /nfs/dbraw/zinc/54/75/84/669547584.db2.gz AALQVMMJURXTBO-WCBMZHEXSA-N 1 0 347.383 -1.381 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C2)nn1-c1nc[nH]n1 ZINC001036124476 669547560 /nfs/dbraw/zinc/54/75/60/669547560.db2.gz AALQVMMJURXTBO-WPRPVWTQSA-N 1 0 347.383 -1.381 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1[NH2+]CC(N)=O ZINC001036126491 669548240 /nfs/dbraw/zinc/54/82/40/669548240.db2.gz GIQRMDFPIWPJFR-CMPLNLGQSA-N 1 0 344.379 -1.017 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036126498 669548116 /nfs/dbraw/zinc/54/81/16/669548116.db2.gz GIQRMDFPIWPJFR-JQWIXIFHSA-N 1 0 344.379 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036126502 669548209 /nfs/dbraw/zinc/54/82/09/669548209.db2.gz GIQRMDFPIWPJFR-PWSUYJOCSA-N 1 0 344.379 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1[NH2+]CC(N)=O ZINC001036126506 669548226 /nfs/dbraw/zinc/54/82/26/669548226.db2.gz GIQRMDFPIWPJFR-ZYHUDNBSSA-N 1 0 344.379 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036128921 669548219 /nfs/dbraw/zinc/54/82/19/669548219.db2.gz ZGWFODDIKRBEII-NEPJUHHUSA-N 1 0 346.391 -1.192 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036128924 669548213 /nfs/dbraw/zinc/54/82/13/669548213.db2.gz ZGWFODDIKRBEII-NWDGAFQWSA-N 1 0 346.391 -1.192 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036128926 669548293 /nfs/dbraw/zinc/54/82/93/669548293.db2.gz ZGWFODDIKRBEII-RYUDHWBXSA-N 1 0 346.391 -1.192 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036128928 669548253 /nfs/dbraw/zinc/54/82/53/669548253.db2.gz ZGWFODDIKRBEII-VXGBXAGGSA-N 1 0 346.391 -1.192 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036133714 669548130 /nfs/dbraw/zinc/54/81/30/669548130.db2.gz SMHFBSOLEOLWMC-BDAKNGLRSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036133716 669548255 /nfs/dbraw/zinc/54/82/55/669548255.db2.gz SMHFBSOLEOLWMC-DTWKUNHWSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036133718 669548289 /nfs/dbraw/zinc/54/82/89/669548289.db2.gz SMHFBSOLEOLWMC-IUCAKERBSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036133720 669548150 /nfs/dbraw/zinc/54/81/50/669548150.db2.gz SMHFBSOLEOLWMC-RKDXNWHRSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001036139698 669548063 /nfs/dbraw/zinc/54/80/63/669548063.db2.gz ACDXSVXNUYTUFB-GXTWGEPZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001036139701 669548201 /nfs/dbraw/zinc/54/82/01/669548201.db2.gz ACDXSVXNUYTUFB-JSGCOSHPSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001036139704 669547686 /nfs/dbraw/zinc/54/76/86/669547686.db2.gz ACDXSVXNUYTUFB-OCCSQVGLSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001036139707 669547482 /nfs/dbraw/zinc/54/74/82/669547482.db2.gz ACDXSVXNUYTUFB-TZMCWYRMSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036139910 669547324 /nfs/dbraw/zinc/54/73/24/669547324.db2.gz BHJXNGJZBXPBFA-KBPBESRZSA-N 1 0 349.439 -1.464 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036139911 669547681 /nfs/dbraw/zinc/54/76/81/669547681.db2.gz BHJXNGJZBXPBFA-KGLIPLIRSA-N 1 0 349.439 -1.464 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001036139912 669547552 /nfs/dbraw/zinc/54/75/52/669547552.db2.gz BHJXNGJZBXPBFA-UONOGXRCSA-N 1 0 349.439 -1.464 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001036139913 669547533 /nfs/dbraw/zinc/54/75/33/669547533.db2.gz BHJXNGJZBXPBFA-ZIAGYGMSSA-N 1 0 349.439 -1.464 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C)[nH]1 ZINC001036140925 669547430 /nfs/dbraw/zinc/54/74/30/669547430.db2.gz FDUHJHBUFRAIQV-AAEUAGOBSA-N 1 0 349.439 -1.128 20 0 EAADRO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)[nH]1 ZINC001036140926 669547720 /nfs/dbraw/zinc/54/77/20/669547720.db2.gz FDUHJHBUFRAIQV-DGCLKSJQSA-N 1 0 349.439 -1.128 20 0 EAADRO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C)[nH]1 ZINC001036140927 669547565 /nfs/dbraw/zinc/54/75/65/669547565.db2.gz FDUHJHBUFRAIQV-WCQYABFASA-N 1 0 349.439 -1.128 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)[nH]1 ZINC001036140928 669547409 /nfs/dbraw/zinc/54/74/09/669547409.db2.gz FDUHJHBUFRAIQV-YPMHNXCESA-N 1 0 349.439 -1.128 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036141162 669547493 /nfs/dbraw/zinc/54/74/93/669547493.db2.gz FSBWKNFSYZCMLI-GHMZBOCLSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036141163 669547537 /nfs/dbraw/zinc/54/75/37/669547537.db2.gz FSBWKNFSYZCMLI-MNOVXSKESA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036141164 669547618 /nfs/dbraw/zinc/54/76/18/669547618.db2.gz FSBWKNFSYZCMLI-QWRGUYRKSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036141165 669547403 /nfs/dbraw/zinc/54/74/03/669547403.db2.gz FSBWKNFSYZCMLI-WDEREUQCSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001036141599 669547446 /nfs/dbraw/zinc/54/74/46/669547446.db2.gz HGHGUMDQFZJXSS-GXTWGEPZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001036141600 669547707 /nfs/dbraw/zinc/54/77/07/669547707.db2.gz HGHGUMDQFZJXSS-JSGCOSHPSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001036141602 669547651 /nfs/dbraw/zinc/54/76/51/669547651.db2.gz HGHGUMDQFZJXSS-OCCSQVGLSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001036141603 669547547 /nfs/dbraw/zinc/54/75/47/669547547.db2.gz HGHGUMDQFZJXSS-TZMCWYRMSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1nncn1C ZINC001036142338 669547660 /nfs/dbraw/zinc/54/76/60/669547660.db2.gz KKQXFPYMLGWQCX-CHWSQXEVSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1nncn1C ZINC001036142339 669547588 /nfs/dbraw/zinc/54/75/88/669547588.db2.gz KKQXFPYMLGWQCX-OLZOCXBDSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1nncn1C ZINC001036142340 669547667 /nfs/dbraw/zinc/54/76/67/669547667.db2.gz KKQXFPYMLGWQCX-QWHCGFSZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1nncn1C ZINC001036142341 669547624 /nfs/dbraw/zinc/54/76/24/669547624.db2.gz KKQXFPYMLGWQCX-STQMWFEESA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001036143092 669547388 /nfs/dbraw/zinc/54/73/88/669547388.db2.gz NECXHSJMSBDVMX-GXTWGEPZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001036143094 669547473 /nfs/dbraw/zinc/54/74/73/669547473.db2.gz NECXHSJMSBDVMX-JSGCOSHPSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001036143095 669547597 /nfs/dbraw/zinc/54/75/97/669547597.db2.gz NECXHSJMSBDVMX-OCCSQVGLSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001036143097 669547437 /nfs/dbraw/zinc/54/74/37/669547437.db2.gz NECXHSJMSBDVMX-TZMCWYRMSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036144402 669547654 /nfs/dbraw/zinc/54/76/54/669547654.db2.gz OWUHQVHHMAMLGA-GHMZBOCLSA-N 1 0 336.400 -1.325 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036144404 669548238 /nfs/dbraw/zinc/54/82/38/669548238.db2.gz OWUHQVHHMAMLGA-MNOVXSKESA-N 1 0 336.400 -1.325 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1ncnn1C ZINC001036144405 669547419 /nfs/dbraw/zinc/54/74/19/669547419.db2.gz SNMGNDCSHANJBX-CHWSQXEVSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036144406 669548251 /nfs/dbraw/zinc/54/82/51/669548251.db2.gz OWUHQVHHMAMLGA-QWRGUYRKSA-N 1 0 336.400 -1.325 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1ncnn1C ZINC001036144407 669547572 /nfs/dbraw/zinc/54/75/72/669547572.db2.gz SNMGNDCSHANJBX-OLZOCXBDSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036144408 669548171 /nfs/dbraw/zinc/54/81/71/669548171.db2.gz OWUHQVHHMAMLGA-WDEREUQCSA-N 1 0 336.400 -1.325 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1ncnn1C ZINC001036144409 669547632 /nfs/dbraw/zinc/54/76/32/669547632.db2.gz SNMGNDCSHANJBX-QWHCGFSZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1ncnn1C ZINC001036144411 669547697 /nfs/dbraw/zinc/54/76/97/669547697.db2.gz SNMGNDCSHANJBX-STQMWFEESA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cnon1 ZINC001036145217 669548337 /nfs/dbraw/zinc/54/83/37/669548337.db2.gz WYLSSPVNKRIDQJ-AAEUAGOBSA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cnon1 ZINC001036145218 669548088 /nfs/dbraw/zinc/54/80/88/669548088.db2.gz WYLSSPVNKRIDQJ-DGCLKSJQSA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]Cc1cnon1 ZINC001036145219 669548230 /nfs/dbraw/zinc/54/82/30/669548230.db2.gz WYLSSPVNKRIDQJ-WCQYABFASA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]Cc1cnon1 ZINC001036145220 669548355 /nfs/dbraw/zinc/54/83/55/669548355.db2.gz WYLSSPVNKRIDQJ-YPMHNXCESA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036156951 669548264 /nfs/dbraw/zinc/54/82/64/669548264.db2.gz LBADJSTZCXPHSL-NXEZZACHSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036156952 669548194 /nfs/dbraw/zinc/54/81/94/669548194.db2.gz LBADJSTZCXPHSL-UWVGGRQHSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036156953 669548051 /nfs/dbraw/zinc/54/80/51/669548051.db2.gz LBADJSTZCXPHSL-VHSXEESVSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036156954 669548322 /nfs/dbraw/zinc/54/83/22/669548322.db2.gz LBADJSTZCXPHSL-ZJUUUORDSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036157711 669548282 /nfs/dbraw/zinc/54/82/82/669548282.db2.gz OUUVJHUBBVUMBA-NXEZZACHSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036157713 669548267 /nfs/dbraw/zinc/54/82/67/669548267.db2.gz OUUVJHUBBVUMBA-UWVGGRQHSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036157715 669548141 /nfs/dbraw/zinc/54/81/41/669548141.db2.gz OUUVJHUBBVUMBA-VHSXEESVSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036157716 669548259 /nfs/dbraw/zinc/54/82/59/669548259.db2.gz OUUVJHUBBVUMBA-ZJUUUORDSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001036160065 669548954 /nfs/dbraw/zinc/54/89/54/669548954.db2.gz JCFGVBODJHOKBO-GXSJLCMTSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001036160069 669548802 /nfs/dbraw/zinc/54/88/02/669548802.db2.gz JCFGVBODJHOKBO-KOLCDFICSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001036160071 669548851 /nfs/dbraw/zinc/54/88/51/669548851.db2.gz JCFGVBODJHOKBO-MWLCHTKSSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001036160074 669548844 /nfs/dbraw/zinc/54/88/44/669548844.db2.gz JCFGVBODJHOKBO-ONGXEEELSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001036162593 669548849 /nfs/dbraw/zinc/54/88/49/669548849.db2.gz USVFPEBNLRGFEJ-NXEZZACHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001036162594 669548841 /nfs/dbraw/zinc/54/88/41/669548841.db2.gz USVFPEBNLRGFEJ-UWVGGRQHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001036162595 669548915 /nfs/dbraw/zinc/54/89/15/669548915.db2.gz USVFPEBNLRGFEJ-VHSXEESVSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001036162596 669548785 /nfs/dbraw/zinc/54/87/85/669548785.db2.gz USVFPEBNLRGFEJ-ZJUUUORDSA-N 1 0 339.396 -1.371 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001036162863 669548727 /nfs/dbraw/zinc/54/87/27/669548727.db2.gz WAUNSHVYXCPRCF-BDAKNGLRSA-N 1 0 338.368 -1.830 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001036162864 669548699 /nfs/dbraw/zinc/54/86/99/669548699.db2.gz WAUNSHVYXCPRCF-DTWKUNHWSA-N 1 0 338.368 -1.830 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001036162865 669548758 /nfs/dbraw/zinc/54/87/58/669548758.db2.gz WAUNSHVYXCPRCF-IUCAKERBSA-N 1 0 338.368 -1.830 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001036162866 669548746 /nfs/dbraw/zinc/54/87/46/669548746.db2.gz WAUNSHVYXCPRCF-RKDXNWHRSA-N 1 0 338.368 -1.830 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036164110 669548777 /nfs/dbraw/zinc/54/87/77/669548777.db2.gz ONUOINAIPGPTNE-NXEZZACHSA-N 1 0 336.396 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036164111 669548887 /nfs/dbraw/zinc/54/88/87/669548887.db2.gz ONUOINAIPGPTNE-UWVGGRQHSA-N 1 0 336.396 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036164112 669548795 /nfs/dbraw/zinc/54/87/95/669548795.db2.gz ONUOINAIPGPTNE-VHSXEESVSA-N 1 0 336.396 -1.300 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036164113 669548854 /nfs/dbraw/zinc/54/88/54/669548854.db2.gz ONUOINAIPGPTNE-ZJUUUORDSA-N 1 0 336.396 -1.300 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001036169683 669548042 /nfs/dbraw/zinc/54/80/42/669548042.db2.gz BLDZKMBNBQTIIK-PSASIEDQSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001036169687 669548069 /nfs/dbraw/zinc/54/80/69/669548069.db2.gz BLDZKMBNBQTIIK-SCZZXKLOSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001036169690 669548124 /nfs/dbraw/zinc/54/81/24/669548124.db2.gz BLDZKMBNBQTIIK-WCBMZHEXSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001036169693 669548348 /nfs/dbraw/zinc/54/83/48/669548348.db2.gz BLDZKMBNBQTIIK-WPRPVWTQSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036169724 669548261 /nfs/dbraw/zinc/54/82/61/669548261.db2.gz BWVOHLVCCBXWJB-NXEZZACHSA-N 1 0 325.369 -2.743 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036169725 669548162 /nfs/dbraw/zinc/54/81/62/669548162.db2.gz BWVOHLVCCBXWJB-UWVGGRQHSA-N 1 0 325.369 -2.743 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036169726 669548241 /nfs/dbraw/zinc/54/82/41/669548241.db2.gz BWVOHLVCCBXWJB-VHSXEESVSA-N 1 0 325.369 -2.743 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036169727 669548342 /nfs/dbraw/zinc/54/83/42/669548342.db2.gz BWVOHLVCCBXWJB-ZJUUUORDSA-N 1 0 325.369 -2.743 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001036176068 669548310 /nfs/dbraw/zinc/54/83/10/669548310.db2.gz URXKUSNXJNSUQI-GHMZBOCLSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001036176070 669548242 /nfs/dbraw/zinc/54/82/42/669548242.db2.gz URXKUSNXJNSUQI-MNOVXSKESA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001036176072 669548079 /nfs/dbraw/zinc/54/80/79/669548079.db2.gz URXKUSNXJNSUQI-QWRGUYRKSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001036176073 669548156 /nfs/dbraw/zinc/54/81/56/669548156.db2.gz URXKUSNXJNSUQI-WDEREUQCSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1[NH2+]CCO ZINC001036180108 669548273 /nfs/dbraw/zinc/54/82/73/669548273.db2.gz LQRYMPOZAKBCAT-PSASIEDQSA-N 1 0 331.398 -1.510 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1[NH2+]CCO ZINC001036180109 669548308 /nfs/dbraw/zinc/54/83/08/669548308.db2.gz LQRYMPOZAKBCAT-SCZZXKLOSA-N 1 0 331.398 -1.510 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1[NH2+]CCO ZINC001036180110 669548083 /nfs/dbraw/zinc/54/80/83/669548083.db2.gz LQRYMPOZAKBCAT-WCBMZHEXSA-N 1 0 331.398 -1.510 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1[NH2+]CCO ZINC001036180111 669548037 /nfs/dbraw/zinc/54/80/37/669548037.db2.gz LQRYMPOZAKBCAT-WPRPVWTQSA-N 1 0 331.398 -1.510 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036180673 669548244 /nfs/dbraw/zinc/54/82/44/669548244.db2.gz NVBSSJDKBLBHJK-APPZFPTMSA-N 1 0 344.397 -2.017 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036180674 669548247 /nfs/dbraw/zinc/54/82/47/669548247.db2.gz NVBSSJDKBLBHJK-CBAPKCEASA-N 1 0 344.397 -2.017 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036180675 669548278 /nfs/dbraw/zinc/54/82/78/669548278.db2.gz NVBSSJDKBLBHJK-IONNQARKSA-N 1 0 344.397 -2.017 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036180676 669548096 /nfs/dbraw/zinc/54/80/96/669548096.db2.gz NVBSSJDKBLBHJK-VXNVDRBHSA-N 1 0 344.397 -2.017 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1[NH2+]CCO ZINC001036202785 669548914 /nfs/dbraw/zinc/54/89/14/669548914.db2.gz KNNKLVPJRHLWPK-NEPJUHHUSA-N 1 0 334.380 -1.290 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1[NH2+]CCO ZINC001036202786 669548828 /nfs/dbraw/zinc/54/88/28/669548828.db2.gz KNNKLVPJRHLWPK-NWDGAFQWSA-N 1 0 334.380 -1.290 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1[NH2+]CCO ZINC001036202787 669548692 /nfs/dbraw/zinc/54/86/92/669548692.db2.gz KNNKLVPJRHLWPK-RYUDHWBXSA-N 1 0 334.380 -1.290 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1[NH2+]CCO ZINC001036202788 669548772 /nfs/dbraw/zinc/54/87/72/669548772.db2.gz KNNKLVPJRHLWPK-VXGBXAGGSA-N 1 0 334.380 -1.290 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036203133 669548933 /nfs/dbraw/zinc/54/89/33/669548933.db2.gz MTFVEUMMPWWCBT-GXSJLCMTSA-N 1 0 337.380 -1.991 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036203134 669548846 /nfs/dbraw/zinc/54/88/46/669548846.db2.gz MTFVEUMMPWWCBT-KOLCDFICSA-N 1 0 337.380 -1.991 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036203135 669548784 /nfs/dbraw/zinc/54/87/84/669548784.db2.gz MTFVEUMMPWWCBT-MWLCHTKSSA-N 1 0 337.380 -1.991 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036203136 669548733 /nfs/dbraw/zinc/54/87/33/669548733.db2.gz MTFVEUMMPWWCBT-ONGXEEELSA-N 1 0 337.380 -1.991 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036203973 669548664 /nfs/dbraw/zinc/54/86/64/669548664.db2.gz PUFOMUWYCMSYSW-GHMZBOCLSA-N 1 0 347.379 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036203974 669548836 /nfs/dbraw/zinc/54/88/36/669548836.db2.gz PUFOMUWYCMSYSW-MNOVXSKESA-N 1 0 347.379 -1.797 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036203975 669548921 /nfs/dbraw/zinc/54/89/21/669548921.db2.gz PUFOMUWYCMSYSW-QWRGUYRKSA-N 1 0 347.379 -1.797 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036203976 669548893 /nfs/dbraw/zinc/54/88/93/669548893.db2.gz PUFOMUWYCMSYSW-WDEREUQCSA-N 1 0 347.379 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036204086 669548866 /nfs/dbraw/zinc/54/88/66/669548866.db2.gz DONGKBOOHKBYDW-BDAKNGLRSA-N 1 0 339.352 -2.281 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036204098 669548936 /nfs/dbraw/zinc/54/89/36/669548936.db2.gz DONGKBOOHKBYDW-DTWKUNHWSA-N 1 0 339.352 -2.281 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036204099 669548810 /nfs/dbraw/zinc/54/88/10/669548810.db2.gz DONGKBOOHKBYDW-IUCAKERBSA-N 1 0 339.352 -2.281 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036204100 669548679 /nfs/dbraw/zinc/54/86/79/669548679.db2.gz DONGKBOOHKBYDW-RKDXNWHRSA-N 1 0 339.352 -2.281 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1[NH2+]CCO ZINC001036210480 669548820 /nfs/dbraw/zinc/54/88/20/669548820.db2.gz VQQXQHOGCOAOAJ-NXEZZACHSA-N 1 0 326.353 -1.774 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1[NH2+]CCO ZINC001036210481 669548929 /nfs/dbraw/zinc/54/89/29/669548929.db2.gz VQQXQHOGCOAOAJ-UWVGGRQHSA-N 1 0 326.353 -1.774 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1[NH2+]CCO ZINC001036210482 669548823 /nfs/dbraw/zinc/54/88/23/669548823.db2.gz VQQXQHOGCOAOAJ-VHSXEESVSA-N 1 0 326.353 -1.774 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1[NH2+]CCO ZINC001036210483 669548790 /nfs/dbraw/zinc/54/87/90/669548790.db2.gz VQQXQHOGCOAOAJ-ZJUUUORDSA-N 1 0 326.353 -1.774 20 0 EAADRO 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VZXVCURMBAAKJJ-KOLCDFICSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C)[nH]1 ZINC001036215963 669549474 /nfs/dbraw/zinc/54/94/74/669549474.db2.gz VZXVCURMBAAKJJ-MWLCHTKSSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C)[nH]1 ZINC001036215965 669549467 /nfs/dbraw/zinc/54/94/67/669549467.db2.gz VZXVCURMBAAKJJ-ONGXEEELSA-N 1 0 349.395 -1.008 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1[NH2+]Cc1nncn1C ZINC001036215982 669549553 /nfs/dbraw/zinc/54/95/53/669549553.db2.gz WKEQTONBACHDKE-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1[NH2+]Cc1nncn1C ZINC001036215985 669549496 /nfs/dbraw/zinc/54/94/96/669549496.db2.gz WKEQTONBACHDKE-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1[NH2+]Cc1nncn1C ZINC001036215987 669549179 /nfs/dbraw/zinc/54/91/79/669549179.db2.gz WKEQTONBACHDKE-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO 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337.380 -1.761 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036220731 669549883 /nfs/dbraw/zinc/54/98/83/669549883.db2.gz YCVZSZVZBHMZEZ-QWRGUYRKSA-N 1 0 337.380 -1.761 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036220732 669550188 /nfs/dbraw/zinc/55/01/88/669550188.db2.gz YCVZSZVZBHMZEZ-WDEREUQCSA-N 1 0 337.380 -1.761 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036221013 669550135 /nfs/dbraw/zinc/55/01/35/669550135.db2.gz QWSJOWBCOCBAJD-GHMZBOCLSA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036221017 669549952 /nfs/dbraw/zinc/54/99/52/669549952.db2.gz QWSJOWBCOCBAJD-MNOVXSKESA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036221019 669549947 /nfs/dbraw/zinc/54/99/47/669549947.db2.gz QWSJOWBCOCBAJD-QWRGUYRKSA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001036221022 669549931 /nfs/dbraw/zinc/54/99/31/669549931.db2.gz QWSJOWBCOCBAJD-WDEREUQCSA-N 1 0 349.395 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036222301 669549900 /nfs/dbraw/zinc/54/99/00/669549900.db2.gz ZRWULBFLRAHGIR-NXEZZACHSA-N 1 0 335.368 -1.203 20 0 EAADRO C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036222302 669549941 /nfs/dbraw/zinc/54/99/41/669549941.db2.gz ZRWULBFLRAHGIR-UWVGGRQHSA-N 1 0 335.368 -1.203 20 0 EAADRO C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036222303 669549924 /nfs/dbraw/zinc/54/99/24/669549924.db2.gz ZRWULBFLRAHGIR-VHSXEESVSA-N 1 0 335.368 -1.203 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036222304 669549987 /nfs/dbraw/zinc/54/99/87/669549987.db2.gz ZRWULBFLRAHGIR-ZJUUUORDSA-N 1 0 335.368 -1.203 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036224580 669549168 /nfs/dbraw/zinc/54/91/68/669549168.db2.gz OYSTYEWAJKQWHQ-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036224583 669549533 /nfs/dbraw/zinc/54/95/33/669549533.db2.gz OYSTYEWAJKQWHQ-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036224586 669549381 /nfs/dbraw/zinc/54/93/81/669549381.db2.gz OYSTYEWAJKQWHQ-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036224589 669549389 /nfs/dbraw/zinc/54/93/89/669549389.db2.gz OYSTYEWAJKQWHQ-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036225718 669549450 /nfs/dbraw/zinc/54/94/50/669549450.db2.gz VGFOKQFHKDEWBD-GHMZBOCLSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036225720 669549286 /nfs/dbraw/zinc/54/92/86/669549286.db2.gz VGFOKQFHKDEWBD-MNOVXSKESA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036225722 669549572 /nfs/dbraw/zinc/54/95/72/669549572.db2.gz VGFOKQFHKDEWBD-QWRGUYRKSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036225724 669549154 /nfs/dbraw/zinc/54/91/54/669549154.db2.gz VGFOKQFHKDEWBD-WDEREUQCSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036228952 669549302 /nfs/dbraw/zinc/54/93/02/669549302.db2.gz GONGVTZARZEZIM-GHMZBOCLSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036228953 669549452 /nfs/dbraw/zinc/54/94/52/669549452.db2.gz GONGVTZARZEZIM-MNOVXSKESA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036228954 669549580 /nfs/dbraw/zinc/54/95/80/669549580.db2.gz GONGVTZARZEZIM-QWRGUYRKSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036228955 669549291 /nfs/dbraw/zinc/54/92/91/669549291.db2.gz GONGVTZARZEZIM-WDEREUQCSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036232732 669549547 /nfs/dbraw/zinc/54/95/47/669549547.db2.gz SWUWIJITFTZFJA-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036232739 669549192 /nfs/dbraw/zinc/54/91/92/669549192.db2.gz SWUWIJITFTZFJA-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036232743 669549367 /nfs/dbraw/zinc/54/93/67/669549367.db2.gz SWUWIJITFTZFJA-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036232747 669549260 /nfs/dbraw/zinc/54/92/60/669549260.db2.gz SWUWIJITFTZFJA-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001036249091 669550171 /nfs/dbraw/zinc/55/01/71/669550171.db2.gz XCHAALYIOSHTGS-NXEZZACHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001036249092 669549917 /nfs/dbraw/zinc/54/99/17/669549917.db2.gz XCHAALYIOSHTGS-UWVGGRQHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001036249093 669549904 /nfs/dbraw/zinc/54/99/04/669549904.db2.gz XCHAALYIOSHTGS-VHSXEESVSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001036249094 669550016 /nfs/dbraw/zinc/55/00/16/669550016.db2.gz XCHAALYIOSHTGS-ZJUUUORDSA-N 1 0 339.396 -1.371 20 0 EAADRO COc1c(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C2)[nH]c(=O)[nH]c1=O ZINC001036255820 669550045 /nfs/dbraw/zinc/55/00/45/669550045.db2.gz CTJAPWSGQARWLF-HTQZYQBOSA-N 1 0 339.352 -1.178 20 0 EAADRO COc1c(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C2)[nH]c(=O)[nH]c1=O ZINC001036255821 669550178 /nfs/dbraw/zinc/55/01/78/669550178.db2.gz CTJAPWSGQARWLF-JGVFFNPUSA-N 1 0 339.352 -1.178 20 0 EAADRO COc1c(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H](C)C2)[nH]c(=O)[nH]c1=O ZINC001036255822 669549964 /nfs/dbraw/zinc/54/99/64/669549964.db2.gz CTJAPWSGQARWLF-SFYZADRCSA-N 1 0 339.352 -1.178 20 0 EAADRO COc1c(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C2)[nH]c(=O)[nH]c1=O ZINC001036255823 669549910 /nfs/dbraw/zinc/54/99/10/669549910.db2.gz CTJAPWSGQARWLF-YUMQZZPRSA-N 1 0 339.352 -1.178 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036256724 669549982 /nfs/dbraw/zinc/54/99/82/669549982.db2.gz NLASLUBNCWQHPP-GHMZBOCLSA-N 1 0 349.395 -1.274 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036256728 669550101 /nfs/dbraw/zinc/55/01/01/669550101.db2.gz NLASLUBNCWQHPP-MNOVXSKESA-N 1 0 349.395 -1.274 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036256731 669550143 /nfs/dbraw/zinc/55/01/43/669550143.db2.gz NLASLUBNCWQHPP-QWRGUYRKSA-N 1 0 349.395 -1.274 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036256734 669549937 /nfs/dbraw/zinc/54/99/37/669549937.db2.gz NLASLUBNCWQHPP-WDEREUQCSA-N 1 0 349.395 -1.274 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036264255 669549959 /nfs/dbraw/zinc/54/99/59/669549959.db2.gz SKJKXGCJIRGYJB-BDAKNGLRSA-N 1 0 333.352 -1.657 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036264259 669549877 /nfs/dbraw/zinc/54/98/77/669549877.db2.gz SKJKXGCJIRGYJB-DTWKUNHWSA-N 1 0 333.352 -1.657 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036264264 669550057 /nfs/dbraw/zinc/55/00/57/669550057.db2.gz SKJKXGCJIRGYJB-IUCAKERBSA-N 1 0 333.352 -1.657 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036264268 669550150 /nfs/dbraw/zinc/55/01/50/669550150.db2.gz SKJKXGCJIRGYJB-RKDXNWHRSA-N 1 0 333.352 -1.657 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036264396 669550042 /nfs/dbraw/zinc/55/00/42/669550042.db2.gz SWTLCBQGBJUMPM-NXEZZACHSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036264400 669549872 /nfs/dbraw/zinc/54/98/72/669549872.db2.gz SWTLCBQGBJUMPM-UWVGGRQHSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036264402 669550090 /nfs/dbraw/zinc/55/00/90/669550090.db2.gz SWTLCBQGBJUMPM-VHSXEESVSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036264405 669549969 /nfs/dbraw/zinc/54/99/69/669549969.db2.gz SWTLCBQGBJUMPM-ZJUUUORDSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036266729 669550084 /nfs/dbraw/zinc/55/00/84/669550084.db2.gz VJEGMPUQHUDCQP-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036266733 669550054 /nfs/dbraw/zinc/55/00/54/669550054.db2.gz VJEGMPUQHUDCQP-UWVGGRQHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036266736 669549920 /nfs/dbraw/zinc/54/99/20/669549920.db2.gz VJEGMPUQHUDCQP-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036266740 669550098 /nfs/dbraw/zinc/55/00/98/669550098.db2.gz VJEGMPUQHUDCQP-ZJUUUORDSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036268364 669550021 /nfs/dbraw/zinc/55/00/21/669550021.db2.gz YBZSYFDEUTUBQR-NXEZZACHSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036268368 669549990 /nfs/dbraw/zinc/54/99/90/669549990.db2.gz YBZSYFDEUTUBQR-UWVGGRQHSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036268371 669549973 /nfs/dbraw/zinc/54/99/73/669549973.db2.gz YBZSYFDEUTUBQR-VHSXEESVSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036268375 669550007 /nfs/dbraw/zinc/55/00/07/669550007.db2.gz YBZSYFDEUTUBQR-ZJUUUORDSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036278859 669549915 /nfs/dbraw/zinc/54/99/15/669549915.db2.gz JUFXWFMMOPAGOF-NEPJUHHUSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036278860 669550159 /nfs/dbraw/zinc/55/01/59/669550159.db2.gz JUFXWFMMOPAGOF-NWDGAFQWSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036278861 669550166 /nfs/dbraw/zinc/55/01/66/669550166.db2.gz JUFXWFMMOPAGOF-RYUDHWBXSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036278862 669549867 /nfs/dbraw/zinc/54/98/67/669549867.db2.gz JUFXWFMMOPAGOF-VXGBXAGGSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036280382 669549944 /nfs/dbraw/zinc/54/99/44/669549944.db2.gz PRTHFRFMJHOVDQ-GHMZBOCLSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036280383 669550861 /nfs/dbraw/zinc/55/08/61/669550861.db2.gz PRTHFRFMJHOVDQ-MNOVXSKESA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036280384 669550661 /nfs/dbraw/zinc/55/06/61/669550661.db2.gz PRTHFRFMJHOVDQ-QWRGUYRKSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036280385 669550746 /nfs/dbraw/zinc/55/07/46/669550746.db2.gz PRTHFRFMJHOVDQ-WDEREUQCSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001036281051 669550743 /nfs/dbraw/zinc/55/07/43/669550743.db2.gz BOZNPZHDWUJYAO-CMPLNLGQSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001036281052 669550574 /nfs/dbraw/zinc/55/05/74/669550574.db2.gz BOZNPZHDWUJYAO-JQWIXIFHSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001036281053 669550532 /nfs/dbraw/zinc/55/05/32/669550532.db2.gz BOZNPZHDWUJYAO-PWSUYJOCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001036281054 669550765 /nfs/dbraw/zinc/55/07/65/669550765.db2.gz BOZNPZHDWUJYAO-ZYHUDNBSSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036281701 669550787 /nfs/dbraw/zinc/55/07/87/669550787.db2.gz NRWVUKKVALQJOX-NXEZZACHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036281702 669550536 /nfs/dbraw/zinc/55/05/36/669550536.db2.gz NRWVUKKVALQJOX-UWVGGRQHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036281704 669550688 /nfs/dbraw/zinc/55/06/88/669550688.db2.gz NRWVUKKVALQJOX-VHSXEESVSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036281705 669550589 /nfs/dbraw/zinc/55/05/89/669550589.db2.gz NRWVUKKVALQJOX-ZJUUUORDSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036282912 669550822 /nfs/dbraw/zinc/55/08/22/669550822.db2.gz BBOKVAGOPZJRNR-GHMZBOCLSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036282916 669550541 /nfs/dbraw/zinc/55/05/41/669550541.db2.gz BBOKVAGOPZJRNR-MNOVXSKESA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036282920 669550698 /nfs/dbraw/zinc/55/06/98/669550698.db2.gz BBOKVAGOPZJRNR-QWRGUYRKSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036282924 669550681 /nfs/dbraw/zinc/55/06/81/669550681.db2.gz BBOKVAGOPZJRNR-WDEREUQCSA-N 1 0 334.384 -1.273 20 0 EAADRO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C)[nH]1 ZINC001036283971 669550553 /nfs/dbraw/zinc/55/05/53/669550553.db2.gz GXSSOVBIUNCCOY-GXSJLCMTSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C)[nH]1 ZINC001036283972 669550842 /nfs/dbraw/zinc/55/08/42/669550842.db2.gz GXSSOVBIUNCCOY-KOLCDFICSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C)[nH]1 ZINC001036283973 669550737 /nfs/dbraw/zinc/55/07/37/669550737.db2.gz GXSSOVBIUNCCOY-MWLCHTKSSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C)[nH]1 ZINC001036283974 669550653 /nfs/dbraw/zinc/55/06/53/669550653.db2.gz GXSSOVBIUNCCOY-ONGXEEELSA-N 1 0 349.395 -1.008 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1ncnn1C ZINC001036284031 669550894 /nfs/dbraw/zinc/55/08/94/669550894.db2.gz IJYJYKZRMMSBPJ-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1ncnn1C ZINC001036284032 669550730 /nfs/dbraw/zinc/55/07/30/669550730.db2.gz IJYJYKZRMMSBPJ-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1ncnn1C ZINC001036284033 669550829 /nfs/dbraw/zinc/55/08/29/669550829.db2.gz IJYJYKZRMMSBPJ-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1ncnn1C ZINC001036284034 669550563 /nfs/dbraw/zinc/55/05/63/669550563.db2.gz IJYJYKZRMMSBPJ-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001036284609 669550753 /nfs/dbraw/zinc/55/07/53/669550753.db2.gz KIDDQDYOHNYDAO-CMPLNLGQSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001036284612 669550867 /nfs/dbraw/zinc/55/08/67/669550867.db2.gz KIDDQDYOHNYDAO-JQWIXIFHSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001036284615 669550804 /nfs/dbraw/zinc/55/08/04/669550804.db2.gz KIDDQDYOHNYDAO-PWSUYJOCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001036284618 669550721 /nfs/dbraw/zinc/55/07/21/669550721.db2.gz KIDDQDYOHNYDAO-ZYHUDNBSSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001036284982 669550795 /nfs/dbraw/zinc/55/07/95/669550795.db2.gz MIEXGECGWYBLOP-CMPLNLGQSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001036284985 669550880 /nfs/dbraw/zinc/55/08/80/669550880.db2.gz MIEXGECGWYBLOP-JQWIXIFHSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001036284988 669550613 /nfs/dbraw/zinc/55/06/13/669550613.db2.gz MIEXGECGWYBLOP-PWSUYJOCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001036284989 669550633 /nfs/dbraw/zinc/55/06/33/669550633.db2.gz MIEXGECGWYBLOP-ZYHUDNBSSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1nncn1C ZINC001036285905 669550811 /nfs/dbraw/zinc/55/08/11/669550811.db2.gz PGCRUXWAYJWQKH-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1nncn1C ZINC001036285907 669550521 /nfs/dbraw/zinc/55/05/21/669550521.db2.gz PGCRUXWAYJWQKH-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]Cc1nncn1C ZINC001036285909 669550603 /nfs/dbraw/zinc/55/06/03/669550603.db2.gz PGCRUXWAYJWQKH-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]Cc1nncn1C ZINC001036285911 669550888 /nfs/dbraw/zinc/55/08/88/669550888.db2.gz PGCRUXWAYJWQKH-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036286166 669550801 /nfs/dbraw/zinc/55/08/01/669550801.db2.gz PUXXXFKEFRUULX-NXEZZACHSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036286168 669550704 /nfs/dbraw/zinc/55/07/04/669550704.db2.gz PUXXXFKEFRUULX-UWVGGRQHSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001036286170 669550514 /nfs/dbraw/zinc/55/05/14/669550514.db2.gz PUXXXFKEFRUULX-VHSXEESVSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001036286172 669550505 /nfs/dbraw/zinc/55/05/05/669550505.db2.gz PUXXXFKEFRUULX-ZJUUUORDSA-N 1 0 325.369 -1.808 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036286700 669550672 /nfs/dbraw/zinc/55/06/72/669550672.db2.gz ROFAHWCNEPAFEC-NEPJUHHUSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]CCn1cncn1 ZINC001036286701 669550781 /nfs/dbraw/zinc/55/07/81/669550781.db2.gz ROFAHWCNEPAFEC-NWDGAFQWSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036286702 669550759 /nfs/dbraw/zinc/55/07/59/669550759.db2.gz ROFAHWCNEPAFEC-RYUDHWBXSA-N 1 0 349.395 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ZINC001036288723 669550705 /nfs/dbraw/zinc/55/07/05/669550705.db2.gz MWAVAXSQFVLUPJ-GHMZBOCLSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036288724 669550623 /nfs/dbraw/zinc/55/06/23/669550623.db2.gz MWAVAXSQFVLUPJ-MNOVXSKESA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036288726 669550836 /nfs/dbraw/zinc/55/08/36/669550836.db2.gz MWAVAXSQFVLUPJ-QWRGUYRKSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036288727 669550645 /nfs/dbraw/zinc/55/06/45/669550645.db2.gz MWAVAXSQFVLUPJ-WDEREUQCSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036305533 669551648 /nfs/dbraw/zinc/55/16/48/669551648.db2.gz LYXVHMPPHCKMKY-GHMZBOCLSA-N 1 0 331.380 -1.021 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036305536 669551242 /nfs/dbraw/zinc/55/12/42/669551242.db2.gz LYXVHMPPHCKMKY-MNOVXSKESA-N 1 0 331.380 -1.021 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nc3ncccn3n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036305539 669551305 /nfs/dbraw/zinc/55/13/05/669551305.db2.gz LYXVHMPPHCKMKY-QWRGUYRKSA-N 1 0 331.380 -1.021 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nc3ncccn3n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036305542 669551523 /nfs/dbraw/zinc/55/15/23/669551523.db2.gz LYXVHMPPHCKMKY-WDEREUQCSA-N 1 0 331.380 -1.021 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036305984 669551554 /nfs/dbraw/zinc/55/15/54/669551554.db2.gz NTYIZBZYEAEEBF-NEPJUHHUSA-N 1 0 346.453 -1.971 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036305990 669551216 /nfs/dbraw/zinc/55/12/16/669551216.db2.gz NTYIZBZYEAEEBF-NWDGAFQWSA-N 1 0 346.453 -1.971 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036305993 669551251 /nfs/dbraw/zinc/55/12/51/669551251.db2.gz NTYIZBZYEAEEBF-RYUDHWBXSA-N 1 0 346.453 -1.971 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036305995 669551528 /nfs/dbraw/zinc/55/15/28/669551528.db2.gz NTYIZBZYEAEEBF-VXGBXAGGSA-N 1 0 346.453 -1.971 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1[NH2+]CCO ZINC001036309263 669551510 /nfs/dbraw/zinc/55/15/10/669551510.db2.gz YQJSMUILFQFYQI-CHWSQXEVSA-N 1 0 333.454 -1.464 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1[NH2+]CCO ZINC001036309271 669551172 /nfs/dbraw/zinc/55/11/72/669551172.db2.gz YQJSMUILFQFYQI-OLZOCXBDSA-N 1 0 333.454 -1.464 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1[NH2+]CCO ZINC001036309274 669551468 /nfs/dbraw/zinc/55/14/68/669551468.db2.gz YQJSMUILFQFYQI-QWHCGFSZSA-N 1 0 333.454 -1.464 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1[NH2+]CCO ZINC001036309276 669551237 /nfs/dbraw/zinc/55/12/37/669551237.db2.gz YQJSMUILFQFYQI-STQMWFEESA-N 1 0 333.454 -1.464 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036309376 669551389 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348.367 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1[NH2+]Cc1cnon1 ZINC001036310761 669551311 /nfs/dbraw/zinc/55/13/11/669551311.db2.gz LQOVIWDGRBUXJQ-MWLCHTKSSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1[NH2+]Cc1cnon1 ZINC001036310762 669551635 /nfs/dbraw/zinc/55/16/35/669551635.db2.gz LQOVIWDGRBUXJQ-ONGXEEELSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1[NH2+]CCO ZINC001036314088 669551496 /nfs/dbraw/zinc/55/14/96/669551496.db2.gz XZJZEHMMDSPHKQ-NEPJUHHUSA-N 1 0 338.412 -1.201 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1[NH2+]CCO ZINC001036314092 669551529 /nfs/dbraw/zinc/55/15/29/669551529.db2.gz XZJZEHMMDSPHKQ-NWDGAFQWSA-N 1 0 338.412 -1.201 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1[NH2+]CCO ZINC001036314095 669551221 /nfs/dbraw/zinc/55/12/21/669551221.db2.gz XZJZEHMMDSPHKQ-RYUDHWBXSA-N 1 0 338.412 -1.201 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1[NH2+]CCO ZINC001036314100 669551286 /nfs/dbraw/zinc/55/12/86/669551286.db2.gz XZJZEHMMDSPHKQ-VXGBXAGGSA-N 1 0 338.412 -1.201 20 0 EAADRO O=C(Cn1ncnn1)N1CCCC[C@@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001036319917 669551492 /nfs/dbraw/zinc/55/14/92/669551492.db2.gz SAGOAGOILXLQMI-NEPJUHHUSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N1CCCC[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001036319918 669551365 /nfs/dbraw/zinc/55/13/65/669551365.db2.gz SAGOAGOILXLQMI-NWDGAFQWSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N1CCCC[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001036319919 669551183 /nfs/dbraw/zinc/55/11/83/669551183.db2.gz SAGOAGOILXLQMI-RYUDHWBXSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N1CCCC[C@@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001036319920 669551486 /nfs/dbraw/zinc/55/14/86/669551486.db2.gz SAGOAGOILXLQMI-VXGBXAGGSA-N 1 0 349.395 -1.161 20 0 EAADRO Cn1nnc(C(=O)N2CCCC[C@@H]2CC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001036321874 669551430 /nfs/dbraw/zinc/55/14/30/669551430.db2.gz CQAFEGPLRVIOLI-GHMZBOCLSA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N2CCCC[C@@H]2CC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001036321875 669551594 /nfs/dbraw/zinc/55/15/94/669551594.db2.gz CQAFEGPLRVIOLI-MNOVXSKESA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N2CCCC[C@H]2CC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001036321876 669551257 /nfs/dbraw/zinc/55/12/57/669551257.db2.gz CQAFEGPLRVIOLI-QWRGUYRKSA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N2CCCC[C@H]2CC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001036321877 669551275 /nfs/dbraw/zinc/55/12/75/669551275.db2.gz CQAFEGPLRVIOLI-WDEREUQCSA-N 1 0 349.395 -1.010 20 0 EAADRO O=C(Cn1cnnn1)N1CCCC[C@@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001036323667 669551436 /nfs/dbraw/zinc/55/14/36/669551436.db2.gz MAHSLKUTKHVVFY-NEPJUHHUSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1cnnn1)N1CCCC[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001036323668 669551324 /nfs/dbraw/zinc/55/13/24/669551324.db2.gz MAHSLKUTKHVVFY-NWDGAFQWSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1cnnn1)N1CCCC[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001036323669 669551632 /nfs/dbraw/zinc/55/16/32/669551632.db2.gz MAHSLKUTKHVVFY-RYUDHWBXSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1cnnn1)N1CCCC[C@@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001036323671 669551350 /nfs/dbraw/zinc/55/13/50/669551350.db2.gz MAHSLKUTKHVVFY-VXGBXAGGSA-N 1 0 349.395 -1.161 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036360404 669551190 /nfs/dbraw/zinc/55/11/90/669551190.db2.gz GOFDRJMBWHBOPS-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036360409 669551530 /nfs/dbraw/zinc/55/15/30/669551530.db2.gz GOFDRJMBWHBOPS-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036360413 669551460 /nfs/dbraw/zinc/55/14/60/669551460.db2.gz GOFDRJMBWHBOPS-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036360418 669552148 /nfs/dbraw/zinc/55/21/48/669552148.db2.gz GOFDRJMBWHBOPS-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036366234 669552322 /nfs/dbraw/zinc/55/23/22/669552322.db2.gz ZJYIEROOYLEZPL-GHMZBOCLSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036366235 669552078 /nfs/dbraw/zinc/55/20/78/669552078.db2.gz ZJYIEROOYLEZPL-MNOVXSKESA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036366236 669552304 /nfs/dbraw/zinc/55/23/04/669552304.db2.gz ZJYIEROOYLEZPL-QWRGUYRKSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001036366237 669551964 /nfs/dbraw/zinc/55/19/64/669551964.db2.gz ZJYIEROOYLEZPL-WDEREUQCSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001036381052 669552022 /nfs/dbraw/zinc/55/20/22/669552022.db2.gz OYIPZMKIJRUIBH-GHMZBOCLSA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001036381053 669551837 /nfs/dbraw/zinc/55/18/37/669551837.db2.gz OYIPZMKIJRUIBH-MNOVXSKESA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001036381054 669552137 /nfs/dbraw/zinc/55/21/37/669552137.db2.gz OYIPZMKIJRUIBH-QWRGUYRKSA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001036381055 669551811 /nfs/dbraw/zinc/55/18/11/669551811.db2.gz OYIPZMKIJRUIBH-WDEREUQCSA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001036388769 669551997 /nfs/dbraw/zinc/55/19/97/669551997.db2.gz PLUZOCAMZVPPFP-GHMZBOCLSA-N 1 0 349.399 -1.076 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001036388770 669551986 /nfs/dbraw/zinc/55/19/86/669551986.db2.gz PLUZOCAMZVPPFP-MNOVXSKESA-N 1 0 349.399 -1.076 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001036388771 669551923 /nfs/dbraw/zinc/55/19/23/669551923.db2.gz PLUZOCAMZVPPFP-QWRGUYRKSA-N 1 0 349.399 -1.076 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001036388772 669552052 /nfs/dbraw/zinc/55/20/52/669552052.db2.gz PLUZOCAMZVPPFP-WDEREUQCSA-N 1 0 349.399 -1.076 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036400361 669552177 /nfs/dbraw/zinc/55/21/77/669552177.db2.gz KYAFYWUKFGIOPK-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036400362 669552207 /nfs/dbraw/zinc/55/22/07/669552207.db2.gz KYAFYWUKFGIOPK-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036400364 669552237 /nfs/dbraw/zinc/55/22/37/669552237.db2.gz KYAFYWUKFGIOPK-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036400365 669552126 /nfs/dbraw/zinc/55/21/26/669552126.db2.gz KYAFYWUKFGIOPK-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036402788 669552312 /nfs/dbraw/zinc/55/23/12/669552312.db2.gz WWBQQIQAOJOPGU-GHMZBOCLSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036402789 669552094 /nfs/dbraw/zinc/55/20/94/669552094.db2.gz WWBQQIQAOJOPGU-MNOVXSKESA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036402790 669552116 /nfs/dbraw/zinc/55/21/16/669552116.db2.gz WWBQQIQAOJOPGU-QWRGUYRKSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036402791 669552252 /nfs/dbraw/zinc/55/22/52/669552252.db2.gz WWBQQIQAOJOPGU-WDEREUQCSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036429693 669551943 /nfs/dbraw/zinc/55/19/43/669551943.db2.gz VGDCVLFDABVGOP-NXEZZACHSA-N 1 0 334.388 -1.236 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036429694 669552009 /nfs/dbraw/zinc/55/20/09/669552009.db2.gz VGDCVLFDABVGOP-UWVGGRQHSA-N 1 0 334.388 -1.236 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036429695 669552643 /nfs/dbraw/zinc/55/26/43/669552643.db2.gz VGDCVLFDABVGOP-VHSXEESVSA-N 1 0 334.388 -1.236 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036429696 669552808 /nfs/dbraw/zinc/55/28/08/669552808.db2.gz VGDCVLFDABVGOP-ZJUUUORDSA-N 1 0 334.388 -1.236 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036430121 669552839 /nfs/dbraw/zinc/55/28/39/669552839.db2.gz YPOUTCXWXVGFKM-NXEZZACHSA-N 1 0 349.399 -1.338 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036430122 669552903 /nfs/dbraw/zinc/55/29/03/669552903.db2.gz YPOUTCXWXVGFKM-UWVGGRQHSA-N 1 0 349.399 -1.338 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036430123 669552784 /nfs/dbraw/zinc/55/27/84/669552784.db2.gz YPOUTCXWXVGFKM-VHSXEESVSA-N 1 0 349.399 -1.338 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001036430124 669552881 /nfs/dbraw/zinc/55/28/81/669552881.db2.gz YPOUTCXWXVGFKM-ZJUUUORDSA-N 1 0 349.399 -1.338 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036496566 669552947 /nfs/dbraw/zinc/55/29/47/669552947.db2.gz ADFXEBGLDZRVDE-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036496567 669552764 /nfs/dbraw/zinc/55/27/64/669552764.db2.gz ADFXEBGLDZRVDE-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036496568 669552604 /nfs/dbraw/zinc/55/26/04/669552604.db2.gz ADFXEBGLDZRVDE-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036496569 669552524 /nfs/dbraw/zinc/55/25/24/669552524.db2.gz ADFXEBGLDZRVDE-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036552267 669552998 /nfs/dbraw/zinc/55/29/98/669552998.db2.gz XDEOJNNSKBFDOP-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036552268 669553610 /nfs/dbraw/zinc/55/36/10/669553610.db2.gz XDEOJNNSKBFDOP-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036552269 669553676 /nfs/dbraw/zinc/55/36/76/669553676.db2.gz XDEOJNNSKBFDOP-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036552270 669553580 /nfs/dbraw/zinc/55/35/80/669553580.db2.gz XDEOJNNSKBFDOP-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036569911 669553771 /nfs/dbraw/zinc/55/37/71/669553771.db2.gz 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COCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)N2CCNC(=O)C2)C1 ZINC001036606053 669553586 /nfs/dbraw/zinc/55/35/86/669553586.db2.gz CSMNYQAKMKCJDD-QWHCGFSZSA-N 1 0 338.408 -1.486 20 0 EAADRO COCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)N2CCNC(=O)C2)C1 ZINC001036606054 669553781 /nfs/dbraw/zinc/55/37/81/669553781.db2.gz CSMNYQAKMKCJDD-STQMWFEESA-N 1 0 338.408 -1.486 20 0 EAADRO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21)N1CCC1 ZINC001036639767 669553480 /nfs/dbraw/zinc/55/34/80/669553480.db2.gz AMNIXFOQSGZANN-CHWSQXEVSA-N 1 0 333.396 -1.172 20 0 EAADRO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21)N1CCC1 ZINC001036639768 669553832 /nfs/dbraw/zinc/55/38/32/669553832.db2.gz AMNIXFOQSGZANN-OLZOCXBDSA-N 1 0 333.396 -1.172 20 0 EAADRO O=C(C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21)N1CCC1 ZINC001036639769 669553760 /nfs/dbraw/zinc/55/37/60/669553760.db2.gz AMNIXFOQSGZANN-QWHCGFSZSA-N 1 0 333.396 -1.172 20 0 EAADRO O=C(C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21)N1CCC1 ZINC001036639770 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EAADRO Cn1nnnc1CN1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001036717009 670081965 /nfs/dbraw/zinc/08/19/65/670081965.db2.gz OVLHHQNPWXDMRL-QWRGUYRKSA-N 1 0 332.372 -1.680 20 0 EAADRO Cn1nnnc1CN1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001036717010 670082016 /nfs/dbraw/zinc/08/20/16/670082016.db2.gz OVLHHQNPWXDMRL-WDEREUQCSA-N 1 0 332.372 -1.680 20 0 EAADRO Cn1cnnc1CN1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001036717467 670082406 /nfs/dbraw/zinc/08/24/06/670082406.db2.gz WDUMPJUBYRCNDO-NEPJUHHUSA-N 1 0 331.384 -1.075 20 0 EAADRO Cn1cnnc1CN1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001036717468 670082096 /nfs/dbraw/zinc/08/20/96/670082096.db2.gz WDUMPJUBYRCNDO-NWDGAFQWSA-N 1 0 331.384 -1.075 20 0 EAADRO Cn1cnnc1CN1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001036717469 670082083 /nfs/dbraw/zinc/08/20/83/670082083.db2.gz WDUMPJUBYRCNDO-RYUDHWBXSA-N 1 0 331.384 -1.075 20 0 EAADRO Cn1cnnc1CN1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001036717470 670082045 /nfs/dbraw/zinc/08/20/45/670082045.db2.gz 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Cn1ncc(CN2CC[C@H]3CN(C(=O)Cn4ncnn4)CC[C@@H]32)n1 ZINC001036718963 670082109 /nfs/dbraw/zinc/08/21/09/670082109.db2.gz VWPHWCOVFTUJHX-AAEUAGOBSA-N 1 0 331.384 -1.075 20 0 EAADRO Cn1ncc(CN2CC[C@@H]3CN(C(=O)Cn4ncnn4)CC[C@H]32)n1 ZINC001036718964 670081916 /nfs/dbraw/zinc/08/19/16/670081916.db2.gz VWPHWCOVFTUJHX-DGCLKSJQSA-N 1 0 331.384 -1.075 20 0 EAADRO Cn1ncc(CN2CC[C@H]3CN(C(=O)Cn4ncnn4)CC[C@H]32)n1 ZINC001036718965 670082153 /nfs/dbraw/zinc/08/21/53/670082153.db2.gz VWPHWCOVFTUJHX-WCQYABFASA-N 1 0 331.384 -1.075 20 0 EAADRO Cn1ncc(CN2CC[C@@H]3CN(C(=O)Cn4ncnn4)CC[C@@H]32)n1 ZINC001036718966 670081819 /nfs/dbraw/zinc/08/18/19/670081819.db2.gz VWPHWCOVFTUJHX-YPMHNXCESA-N 1 0 331.384 -1.075 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@H]21 ZINC001036719703 670082988 /nfs/dbraw/zinc/08/29/88/670082988.db2.gz IJLPSUPJOBBBQF-GHMZBOCLSA-N 1 0 349.395 -1.954 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@@H]21 ZINC001036719704 670082781 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336.396 -1.054 20 0 EAADRO COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@H]21 ZINC001036719798 670083109 /nfs/dbraw/zinc/08/31/09/670083109.db2.gz JMZPZOOULCVNEE-VXGBXAGGSA-N 1 0 336.396 -1.054 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@H]21 ZINC001036720435 670082795 /nfs/dbraw/zinc/08/27/95/670082795.db2.gz UFTMPPWVDBTKMJ-NXEZZACHSA-N 1 0 335.368 -2.215 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@@H]21 ZINC001036720436 670082752 /nfs/dbraw/zinc/08/27/52/670082752.db2.gz UFTMPPWVDBTKMJ-UWVGGRQHSA-N 1 0 335.368 -2.215 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@H]21 ZINC001036720437 670082693 /nfs/dbraw/zinc/08/26/93/670082693.db2.gz UFTMPPWVDBTKMJ-VHSXEESVSA-N 1 0 335.368 -2.215 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@@H]21 ZINC001036720438 670082996 /nfs/dbraw/zinc/08/29/96/670082996.db2.gz UFTMPPWVDBTKMJ-ZJUUUORDSA-N 1 0 335.368 -2.215 20 0 EAADRO 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Cn1c(=O)ccn(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036731835 670083242 /nfs/dbraw/zinc/08/32/42/670083242.db2.gz ZVENVMRJVWKXKY-NEPJUHHUSA-N 1 0 349.391 -2.045 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036731836 670083172 /nfs/dbraw/zinc/08/31/72/670083172.db2.gz ZVENVMRJVWKXKY-NWDGAFQWSA-N 1 0 349.391 -2.045 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036731837 670083060 /nfs/dbraw/zinc/08/30/60/670083060.db2.gz ZVENVMRJVWKXKY-RYUDHWBXSA-N 1 0 349.391 -2.045 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036731838 670082966 /nfs/dbraw/zinc/08/29/66/670082966.db2.gz ZVENVMRJVWKXKY-VXGBXAGGSA-N 1 0 349.391 -2.045 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 ZINC001036739023 670082880 /nfs/dbraw/zinc/08/28/80/670082880.db2.gz RVJPPWPZITULIG-CHWSQXEVSA-N 1 0 338.408 -1.486 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 ZINC001036739024 670083263 /nfs/dbraw/zinc/08/32/63/670083263.db2.gz RVJPPWPZITULIG-OLZOCXBDSA-N 1 0 338.408 -1.486 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 ZINC001036739025 670083158 /nfs/dbraw/zinc/08/31/58/670083158.db2.gz RVJPPWPZITULIG-QWHCGFSZSA-N 1 0 338.408 -1.486 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 ZINC001036739026 670083132 /nfs/dbraw/zinc/08/31/32/670083132.db2.gz RVJPPWPZITULIG-STQMWFEESA-N 1 0 338.408 -1.486 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)CC1=O ZINC001036752811 670082870 /nfs/dbraw/zinc/08/28/70/670082870.db2.gz GPRHVCHNLBKYPI-CHWSQXEVSA-N 1 0 337.424 -1.832 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)CC1=O ZINC001036752812 670082734 /nfs/dbraw/zinc/08/27/34/670082734.db2.gz GPRHVCHNLBKYPI-OLZOCXBDSA-N 1 0 337.424 -1.832 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)CC1=O ZINC001036752813 670083911 /nfs/dbraw/zinc/08/39/11/670083911.db2.gz GPRHVCHNLBKYPI-QWHCGFSZSA-N 1 0 337.424 -1.832 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)CC1=O ZINC001036752814 670083695 /nfs/dbraw/zinc/08/36/95/670083695.db2.gz GPRHVCHNLBKYPI-STQMWFEESA-N 1 0 337.424 -1.832 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 ZINC001036753479 670084356 /nfs/dbraw/zinc/08/43/56/670084356.db2.gz QVCAYGDEXLOJAI-NEPJUHHUSA-N 1 0 336.396 -1.749 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 ZINC001036753480 670083662 /nfs/dbraw/zinc/08/36/62/670083662.db2.gz QVCAYGDEXLOJAI-NWDGAFQWSA-N 1 0 336.396 -1.749 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 ZINC001036753481 670083555 /nfs/dbraw/zinc/08/35/55/670083555.db2.gz QVCAYGDEXLOJAI-RYUDHWBXSA-N 1 0 336.396 -1.749 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 ZINC001036753482 670084071 /nfs/dbraw/zinc/08/40/71/670084071.db2.gz QVCAYGDEXLOJAI-VXGBXAGGSA-N 1 0 336.396 -1.749 20 0 EAADRO O=C(c1cn[nH]n1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036758087 670083566 /nfs/dbraw/zinc/08/35/66/670083566.db2.gz PARWLGOLCPTNJE-CMPLNLGQSA-N 1 0 347.379 -1.107 20 0 EAADRO O=C(c1cn[nH]n1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036758088 670084084 /nfs/dbraw/zinc/08/40/84/670084084.db2.gz PARWLGOLCPTNJE-JQWIXIFHSA-N 1 0 347.379 -1.107 20 0 EAADRO O=C(c1cn[nH]n1)N1CC[C@H]2[C@H](CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036758089 670083957 /nfs/dbraw/zinc/08/39/57/670083957.db2.gz PARWLGOLCPTNJE-PWSUYJOCSA-N 1 0 347.379 -1.107 20 0 EAADRO O=C(c1cn[nH]n1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036758090 670084255 /nfs/dbraw/zinc/08/42/55/670084255.db2.gz PARWLGOLCPTNJE-ZYHUDNBSSA-N 1 0 347.379 -1.107 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]21 ZINC001036763871 670083649 /nfs/dbraw/zinc/08/36/49/670083649.db2.gz HPJYSRKFHDOGOX-NEPJUHHUSA-N 1 0 349.391 -1.382 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21 ZINC001036763872 670083587 /nfs/dbraw/zinc/08/35/87/670083587.db2.gz HPJYSRKFHDOGOX-NWDGAFQWSA-N 1 0 349.391 -1.382 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]21 ZINC001036763873 670084281 /nfs/dbraw/zinc/08/42/81/670084281.db2.gz HPJYSRKFHDOGOX-RYUDHWBXSA-N 1 0 349.391 -1.382 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21 ZINC001036763874 670083986 /nfs/dbraw/zinc/08/39/86/670083986.db2.gz HPJYSRKFHDOGOX-VXGBXAGGSA-N 1 0 349.391 -1.382 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21 ZINC001036764431 670083838 /nfs/dbraw/zinc/08/38/38/670083838.db2.gz QMDCMVSKKVBAPG-GHMZBOCLSA-N 1 0 335.364 -1.643 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]21 ZINC001036764432 670084161 /nfs/dbraw/zinc/08/41/61/670084161.db2.gz QMDCMVSKKVBAPG-MNOVXSKESA-N 1 0 335.364 -1.643 20 0 EAADRO 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ZINC001036765670 670083711 /nfs/dbraw/zinc/08/37/11/670083711.db2.gz MOQHQCUTWNLBQO-VXGBXAGGSA-N 1 0 336.392 -1.066 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036777919 670083635 /nfs/dbraw/zinc/08/36/35/670083635.db2.gz JUKBGTKRLNKYTI-NEPJUHHUSA-N 1 0 336.396 -1.620 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036777920 670083624 /nfs/dbraw/zinc/08/36/24/670083624.db2.gz JUKBGTKRLNKYTI-NWDGAFQWSA-N 1 0 336.396 -1.620 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036777921 670083731 /nfs/dbraw/zinc/08/37/31/670083731.db2.gz JUKBGTKRLNKYTI-RYUDHWBXSA-N 1 0 336.396 -1.620 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036777922 670084108 /nfs/dbraw/zinc/08/41/08/670084108.db2.gz JUKBGTKRLNKYTI-VXGBXAGGSA-N 1 0 336.396 -1.620 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036791307 670083574 /nfs/dbraw/zinc/08/35/74/670083574.db2.gz XFXYJMSPAMPHFZ-GXSJLCMTSA-N 1 0 335.364 -1.492 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036791308 670084297 /nfs/dbraw/zinc/08/42/97/670084297.db2.gz XFXYJMSPAMPHFZ-KOLCDFICSA-N 1 0 335.364 -1.492 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036791309 670084189 /nfs/dbraw/zinc/08/41/89/670084189.db2.gz XFXYJMSPAMPHFZ-MWLCHTKSSA-N 1 0 335.364 -1.492 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)c1=O ZINC001036791310 670084324 /nfs/dbraw/zinc/08/43/24/670084324.db2.gz XFXYJMSPAMPHFZ-ONGXEEELSA-N 1 0 335.364 -1.492 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 ZINC001036792443 670084148 /nfs/dbraw/zinc/08/41/48/670084148.db2.gz PGANVJSJRMWQEC-CHWSQXEVSA-N 1 0 337.424 -1.913 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036792444 670083895 /nfs/dbraw/zinc/08/38/95/670083895.db2.gz PGANVJSJRMWQEC-OLZOCXBDSA-N 1 0 337.424 -1.913 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 ZINC001036792445 670084265 /nfs/dbraw/zinc/08/42/65/670084265.db2.gz PGANVJSJRMWQEC-QWHCGFSZSA-N 1 0 337.424 -1.913 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036792446 670083580 /nfs/dbraw/zinc/08/35/80/670083580.db2.gz PGANVJSJRMWQEC-STQMWFEESA-N 1 0 337.424 -1.913 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCN3CCNC3=O)C2)n1 ZINC001036793775 670084560 /nfs/dbraw/zinc/08/45/60/670084560.db2.gz LAVUYXOPGSHMIF-NEPJUHHUSA-N 1 0 348.411 -1.228 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCN3CCNC3=O)C2)n1 ZINC001036793776 670084796 /nfs/dbraw/zinc/08/47/96/670084796.db2.gz LAVUYXOPGSHMIF-NWDGAFQWSA-N 1 0 348.411 -1.228 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCN3CCNC3=O)C2)n1 ZINC001036793777 670085097 /nfs/dbraw/zinc/08/50/97/670085097.db2.gz LAVUYXOPGSHMIF-RYUDHWBXSA-N 1 0 348.411 -1.228 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCN3CCNC3=O)C2)n1 ZINC001036793778 670084976 /nfs/dbraw/zinc/08/49/76/670084976.db2.gz LAVUYXOPGSHMIF-VXGBXAGGSA-N 1 0 348.411 -1.228 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(=O)N3CCC3)C2)n1 ZINC001036793907 670085185 /nfs/dbraw/zinc/08/51/85/670085185.db2.gz MULAIQQWBYHTOS-NEPJUHHUSA-N 1 0 333.396 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(=O)N3CCC3)C2)n1 ZINC001036793908 670085154 /nfs/dbraw/zinc/08/51/54/670085154.db2.gz MULAIQQWBYHTOS-NWDGAFQWSA-N 1 0 333.396 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(=O)N3CCC3)C2)n1 ZINC001036793909 670084982 /nfs/dbraw/zinc/08/49/82/670084982.db2.gz MULAIQQWBYHTOS-RYUDHWBXSA-N 1 0 333.396 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(=O)N3CCC3)C2)n1 ZINC001036793910 670084992 /nfs/dbraw/zinc/08/49/92/670084992.db2.gz MULAIQQWBYHTOS-VXGBXAGGSA-N 1 0 333.396 -1.021 20 0 EAADRO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)NC2CCOCC2)C1 ZINC001036804287 670085179 /nfs/dbraw/zinc/08/51/79/670085179.db2.gz 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O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036895383 670087685 /nfs/dbraw/zinc/08/76/85/670087685.db2.gz XTEAJPJOYMMCJQ-KBPBESRZSA-N 1 0 345.465 -1.368 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036895384 670088223 /nfs/dbraw/zinc/08/82/23/670088223.db2.gz XTEAJPJOYMMCJQ-KGLIPLIRSA-N 1 0 345.465 -1.368 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036895385 670087722 /nfs/dbraw/zinc/08/77/22/670087722.db2.gz XTEAJPJOYMMCJQ-UONOGXRCSA-N 1 0 345.465 -1.368 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036895386 670087886 /nfs/dbraw/zinc/08/78/86/670087886.db2.gz XTEAJPJOYMMCJQ-ZIAGYGMSSA-N 1 0 345.465 -1.368 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCO)C2)nn1 ZINC001036902063 670087503 /nfs/dbraw/zinc/08/75/03/670087503.db2.gz DCUVHQLFGDGMPC-AAEUAGOBSA-N 1 0 336.396 -1.318 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCO)C2)nn1 ZINC001036902064 670087914 /nfs/dbraw/zinc/08/79/14/670087914.db2.gz DCUVHQLFGDGMPC-DGCLKSJQSA-N 1 0 336.396 -1.318 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCO)C2)nn1 ZINC001036902065 670088126 /nfs/dbraw/zinc/08/81/26/670088126.db2.gz DCUVHQLFGDGMPC-WCQYABFASA-N 1 0 336.396 -1.318 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCO)C2)nn1 ZINC001036902066 670087763 /nfs/dbraw/zinc/08/77/63/670087763.db2.gz DCUVHQLFGDGMPC-YPMHNXCESA-N 1 0 336.396 -1.318 20 0 EAADRO COCC[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]21 ZINC001036903187 670088219 /nfs/dbraw/zinc/08/82/19/670088219.db2.gz WWVVUZVTZYBKJS-AAEUAGOBSA-N 1 0 336.396 -1.054 20 0 EAADRO COCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@H]21 ZINC001036903188 670087569 /nfs/dbraw/zinc/08/75/69/670087569.db2.gz WWVVUZVTZYBKJS-DGCLKSJQSA-N 1 0 336.396 -1.054 20 0 EAADRO COCC[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@H]21 ZINC001036903189 670088520 /nfs/dbraw/zinc/08/85/20/670088520.db2.gz WWVVUZVTZYBKJS-WCQYABFASA-N 1 0 336.396 -1.054 20 0 EAADRO COCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]21 ZINC001036903190 670088600 /nfs/dbraw/zinc/08/86/00/670088600.db2.gz WWVVUZVTZYBKJS-YPMHNXCESA-N 1 0 336.396 -1.054 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)nn1 ZINC001036903527 670088607 /nfs/dbraw/zinc/08/86/07/670088607.db2.gz BVIDCBPAVQVYAN-GXSJLCMTSA-N 1 0 335.368 -2.215 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)nn1 ZINC001036903528 670088481 /nfs/dbraw/zinc/08/84/81/670088481.db2.gz BVIDCBPAVQVYAN-KOLCDFICSA-N 1 0 335.368 -2.215 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)nn1 ZINC001036903529 670088530 /nfs/dbraw/zinc/08/85/30/670088530.db2.gz BVIDCBPAVQVYAN-MWLCHTKSSA-N 1 0 335.368 -2.215 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)nn1 ZINC001036903530 670088561 /nfs/dbraw/zinc/08/85/61/670088561.db2.gz BVIDCBPAVQVYAN-ONGXEEELSA-N 1 0 335.368 -2.215 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@H]21 ZINC001036904747 670088577 /nfs/dbraw/zinc/08/85/77/670088577.db2.gz WXNHCQTZGJVHQQ-CMPLNLGQSA-N 1 0 349.395 -1.954 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]21 ZINC001036904748 670088504 /nfs/dbraw/zinc/08/85/04/670088504.db2.gz WXNHCQTZGJVHQQ-JQWIXIFHSA-N 1 0 349.395 -1.954 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]21 ZINC001036904749 670088545 /nfs/dbraw/zinc/08/85/45/670088545.db2.gz WXNHCQTZGJVHQQ-PWSUYJOCSA-N 1 0 349.395 -1.954 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@H]21 ZINC001036904750 670088588 /nfs/dbraw/zinc/08/85/88/670088588.db2.gz WXNHCQTZGJVHQQ-ZYHUDNBSSA-N 1 0 349.395 -1.954 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001036940519 670101557 /nfs/dbraw/zinc/10/15/57/670101557.db2.gz APIOHQSHCGZGIG-NXEZZACHSA-N 1 0 335.372 -1.830 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001036940520 670101405 /nfs/dbraw/zinc/10/14/05/670101405.db2.gz APIOHQSHCGZGIG-UWVGGRQHSA-N 1 0 335.372 -1.830 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001036940521 670101391 /nfs/dbraw/zinc/10/13/91/670101391.db2.gz APIOHQSHCGZGIG-VHSXEESVSA-N 1 0 335.372 -1.830 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001036940522 670101578 /nfs/dbraw/zinc/10/15/78/670101578.db2.gz APIOHQSHCGZGIG-ZJUUUORDSA-N 1 0 335.372 -1.830 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CCOCC1 ZINC001036986147 670380748 /nfs/dbraw/zinc/38/07/48/670380748.db2.gz RHJPWBWBTXDOBA-CHWSQXEVSA-N 1 0 337.428 -1.083 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CCOCC1 ZINC001036986148 670380565 /nfs/dbraw/zinc/38/05/65/670380565.db2.gz RHJPWBWBTXDOBA-OLZOCXBDSA-N 1 0 337.428 -1.083 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CCOCC1 ZINC001036986149 670380789 /nfs/dbraw/zinc/38/07/89/670380789.db2.gz RHJPWBWBTXDOBA-QWHCGFSZSA-N 1 0 337.428 -1.083 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CCOCC1 ZINC001036986150 670380624 /nfs/dbraw/zinc/38/06/24/670380624.db2.gz RHJPWBWBTXDOBA-STQMWFEESA-N 1 0 337.428 -1.083 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001036987927 670393220 /nfs/dbraw/zinc/39/32/20/670393220.db2.gz TUNAJZYAXSQPNM-NXEZZACHSA-N 1 0 335.372 -1.418 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CN=NC1=O ZINC001036987928 670393276 /nfs/dbraw/zinc/39/32/76/670393276.db2.gz TUNAJZYAXSQPNM-UWVGGRQHSA-N 1 0 335.372 -1.418 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001036987929 670393458 /nfs/dbraw/zinc/39/34/58/670393458.db2.gz TUNAJZYAXSQPNM-VHSXEESVSA-N 1 0 335.372 -1.418 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CN=NC1=O ZINC001036987930 670393252 /nfs/dbraw/zinc/39/32/52/670393252.db2.gz TUNAJZYAXSQPNM-ZJUUUORDSA-N 1 0 335.372 -1.418 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001037000067 670413154 /nfs/dbraw/zinc/41/31/54/670413154.db2.gz YSNDSULUNKEIGW-NXEZZACHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001037000068 670413150 /nfs/dbraw/zinc/41/31/50/670413150.db2.gz YSNDSULUNKEIGW-UWVGGRQHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001037000069 670413111 /nfs/dbraw/zinc/41/31/11/670413111.db2.gz YSNDSULUNKEIGW-VHSXEESVSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001037000070 670413169 /nfs/dbraw/zinc/41/31/69/670413169.db2.gz YSNDSULUNKEIGW-ZJUUUORDSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037000455 670413904 /nfs/dbraw/zinc/41/39/04/670413904.db2.gz FMHIVTNXMXPPNO-NXEZZACHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037000456 670413928 /nfs/dbraw/zinc/41/39/28/670413928.db2.gz FMHIVTNXMXPPNO-UWVGGRQHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037000457 670413861 /nfs/dbraw/zinc/41/38/61/670413861.db2.gz FMHIVTNXMXPPNO-VHSXEESVSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037000458 670413807 /nfs/dbraw/zinc/41/38/07/670413807.db2.gz FMHIVTNXMXPPNO-ZJUUUORDSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037000975 670413869 /nfs/dbraw/zinc/41/38/69/670413869.db2.gz MEOJCWKUDFUCAI-NXEZZACHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037000976 670413948 /nfs/dbraw/zinc/41/39/48/670413948.db2.gz MEOJCWKUDFUCAI-UWVGGRQHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037000977 670413761 /nfs/dbraw/zinc/41/37/61/670413761.db2.gz MEOJCWKUDFUCAI-VHSXEESVSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037000978 670413799 /nfs/dbraw/zinc/41/37/99/670413799.db2.gz MEOJCWKUDFUCAI-ZJUUUORDSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037007115 670423518 /nfs/dbraw/zinc/42/35/18/670423518.db2.gz BOLLGAJMTNRADU-NXEZZACHSA-N 1 0 335.372 -1.830 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037007116 670423272 /nfs/dbraw/zinc/42/32/72/670423272.db2.gz BOLLGAJMTNRADU-UWVGGRQHSA-N 1 0 335.372 -1.830 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037007117 670423362 /nfs/dbraw/zinc/42/33/62/670423362.db2.gz BOLLGAJMTNRADU-VHSXEESVSA-N 1 0 335.372 -1.830 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037007118 670423514 /nfs/dbraw/zinc/42/35/14/670423514.db2.gz BOLLGAJMTNRADU-ZJUUUORDSA-N 1 0 335.372 -1.830 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cnon2)n1 ZINC001037012047 670426988 /nfs/dbraw/zinc/42/69/88/670426988.db2.gz ZNXUHUFHRZDALF-GXSJLCMTSA-N 1 0 348.367 -1.165 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cnon2)n1 ZINC001037012048 670427152 /nfs/dbraw/zinc/42/71/52/670427152.db2.gz ZNXUHUFHRZDALF-KOLCDFICSA-N 1 0 348.367 -1.165 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cnon2)n1 ZINC001037012049 670427094 /nfs/dbraw/zinc/42/70/94/670427094.db2.gz ZNXUHUFHRZDALF-MWLCHTKSSA-N 1 0 348.367 -1.165 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cnon2)n1 ZINC001037012050 670427211 /nfs/dbraw/zinc/42/72/11/670427211.db2.gz ZNXUHUFHRZDALF-ONGXEEELSA-N 1 0 348.367 -1.165 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001037015191 670433528 /nfs/dbraw/zinc/43/35/28/670433528.db2.gz WRAOIMYUGQMVEV-GXSJLCMTSA-N 1 0 342.425 -1.371 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001037015192 670433351 /nfs/dbraw/zinc/43/33/51/670433351.db2.gz WRAOIMYUGQMVEV-KOLCDFICSA-N 1 0 342.425 -1.371 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001037015193 670433603 /nfs/dbraw/zinc/43/36/03/670433603.db2.gz WRAOIMYUGQMVEV-MWLCHTKSSA-N 1 0 342.425 -1.371 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001037015194 670433573 /nfs/dbraw/zinc/43/35/73/670433573.db2.gz WRAOIMYUGQMVEV-ONGXEEELSA-N 1 0 342.425 -1.371 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2nccn2)nc1=O ZINC001037015827 670435346 /nfs/dbraw/zinc/43/53/46/670435346.db2.gz GIMGUASJFLFCEZ-GHMZBOCLSA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2nccn2)nc1=O ZINC001037015828 670435315 /nfs/dbraw/zinc/43/53/15/670435315.db2.gz GIMGUASJFLFCEZ-MNOVXSKESA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2nccn2)nc1=O ZINC001037015829 670435488 /nfs/dbraw/zinc/43/54/88/670435488.db2.gz GIMGUASJFLFCEZ-QWRGUYRKSA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2nccn2)nc1=O ZINC001037015830 670435371 /nfs/dbraw/zinc/43/53/71/670435371.db2.gz GIMGUASJFLFCEZ-WDEREUQCSA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001037023655 670445113 /nfs/dbraw/zinc/44/51/13/670445113.db2.gz FQWGNOVBMVXVPX-GHMZBOCLSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001037023656 670445258 /nfs/dbraw/zinc/44/52/58/670445258.db2.gz FQWGNOVBMVXVPX-MNOVXSKESA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001037023657 670445042 /nfs/dbraw/zinc/44/50/42/670445042.db2.gz FQWGNOVBMVXVPX-QWRGUYRKSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001037023658 670445142 /nfs/dbraw/zinc/44/51/42/670445142.db2.gz FQWGNOVBMVXVPX-WDEREUQCSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2nnnn2C)c1=O ZINC001037031027 670452334 /nfs/dbraw/zinc/45/23/34/670452334.db2.gz CJCZDERPHSZZIN-GHMZBOCLSA-N 1 0 349.399 -1.820 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2nnnn2C)c1=O ZINC001037031028 670452706 /nfs/dbraw/zinc/45/27/06/670452706.db2.gz CJCZDERPHSZZIN-MNOVXSKESA-N 1 0 349.399 -1.820 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2nnnn2C)c1=O ZINC001037031029 670452755 /nfs/dbraw/zinc/45/27/55/670452755.db2.gz CJCZDERPHSZZIN-QWRGUYRKSA-N 1 0 349.399 -1.820 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2nnnn2C)c1=O ZINC001037031030 670452723 /nfs/dbraw/zinc/45/27/23/670452723.db2.gz CJCZDERPHSZZIN-WDEREUQCSA-N 1 0 349.399 -1.820 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cnn(C)n2)c1=O ZINC001037031551 670452659 /nfs/dbraw/zinc/45/26/59/670452659.db2.gz LWQBOJIZZSCTPG-AAEUAGOBSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cnn(C)n2)c1=O ZINC001037031552 670452803 /nfs/dbraw/zinc/45/28/03/670452803.db2.gz LWQBOJIZZSCTPG-DGCLKSJQSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cnn(C)n2)c1=O ZINC001037031553 670452637 /nfs/dbraw/zinc/45/26/37/670452637.db2.gz LWQBOJIZZSCTPG-WCQYABFASA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cnn(C)n2)c1=O ZINC001037031554 670452709 /nfs/dbraw/zinc/45/27/09/670452709.db2.gz LWQBOJIZZSCTPG-YPMHNXCESA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2ncnn2C)c1=O ZINC001037031603 670452672 /nfs/dbraw/zinc/45/26/72/670452672.db2.gz MMPPIGUUQGUOPF-NEPJUHHUSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2ncnn2C)c1=O ZINC001037031604 670452652 /nfs/dbraw/zinc/45/26/52/670452652.db2.gz MMPPIGUUQGUOPF-NWDGAFQWSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2ncnn2C)c1=O ZINC001037031605 670452736 /nfs/dbraw/zinc/45/27/36/670452736.db2.gz MMPPIGUUQGUOPF-RYUDHWBXSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ncnn2C)c1=O ZINC001037031606 670452768 /nfs/dbraw/zinc/45/27/68/670452768.db2.gz MMPPIGUUQGUOPF-VXGBXAGGSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC001037031779 670452679 /nfs/dbraw/zinc/45/26/79/670452679.db2.gz OUTRWJQNFBLKJD-NEPJUHHUSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001037031780 670452632 /nfs/dbraw/zinc/45/26/32/670452632.db2.gz OUTRWJQNFBLKJD-NWDGAFQWSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC001037031781 670452699 /nfs/dbraw/zinc/45/26/99/670452699.db2.gz OUTRWJQNFBLKJD-RYUDHWBXSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001037031782 670452648 /nfs/dbraw/zinc/45/26/48/670452648.db2.gz OUTRWJQNFBLKJD-VXGBXAGGSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cnnn2C)c1=O ZINC001037031887 670452662 /nfs/dbraw/zinc/45/26/62/670452662.db2.gz QIJBVQZYFNHHRK-AAEUAGOBSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cnnn2C)c1=O ZINC001037031888 670452720 /nfs/dbraw/zinc/45/27/20/670452720.db2.gz QIJBVQZYFNHHRK-DGCLKSJQSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cnnn2C)c1=O ZINC001037031889 670452792 /nfs/dbraw/zinc/45/27/92/670452792.db2.gz QIJBVQZYFNHHRK-WCQYABFASA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cnnn2C)c1=O ZINC001037031890 670452667 /nfs/dbraw/zinc/45/26/67/670452667.db2.gz QIJBVQZYFNHHRK-YPMHNXCESA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2ncn(C)c2=O)nn1 ZINC001037032379 670453092 /nfs/dbraw/zinc/45/30/92/670453092.db2.gz YACDOROQMBLLTI-AAEUAGOBSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2ncn(C)c2=O)nn1 ZINC001037032380 670453087 /nfs/dbraw/zinc/45/30/87/670453087.db2.gz YACDOROQMBLLTI-DGCLKSJQSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2ncn(C)c2=O)nn1 ZINC001037032381 670453072 /nfs/dbraw/zinc/45/30/72/670453072.db2.gz YACDOROQMBLLTI-WCQYABFASA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2ncn(C)c2=O)nn1 ZINC001037032382 670453184 /nfs/dbraw/zinc/45/31/84/670453184.db2.gz YACDOROQMBLLTI-YPMHNXCESA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001037046947 670479562 /nfs/dbraw/zinc/47/95/62/670479562.db2.gz RULCEQHLUFZNBR-GHMZBOCLSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001037046948 670479523 /nfs/dbraw/zinc/47/95/23/670479523.db2.gz RULCEQHLUFZNBR-MNOVXSKESA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001037046949 670479450 /nfs/dbraw/zinc/47/94/50/670479450.db2.gz RULCEQHLUFZNBR-QWRGUYRKSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001037046950 670479544 /nfs/dbraw/zinc/47/95/44/670479544.db2.gz RULCEQHLUFZNBR-WDEREUQCSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037055007 670481142 /nfs/dbraw/zinc/48/11/42/670481142.db2.gz LHOAZSFEYPUIHV-CHWSQXEVSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037055008 670481495 /nfs/dbraw/zinc/48/14/95/670481495.db2.gz LHOAZSFEYPUIHV-OLZOCXBDSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037055009 670481482 /nfs/dbraw/zinc/48/14/82/670481482.db2.gz LHOAZSFEYPUIHV-QWHCGFSZSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037055010 670481554 /nfs/dbraw/zinc/48/15/54/670481554.db2.gz LHOAZSFEYPUIHV-STQMWFEESA-N 1 0 349.439 -1.379 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001037056047 670483545 /nfs/dbraw/zinc/48/35/45/670483545.db2.gz ASKCEKKWFPZQAF-AAEUAGOBSA-N 1 0 336.396 -1.124 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001037056048 670483508 /nfs/dbraw/zinc/48/35/08/670483508.db2.gz ASKCEKKWFPZQAF-DGCLKSJQSA-N 1 0 336.396 -1.124 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001037056049 670483345 /nfs/dbraw/zinc/48/33/45/670483345.db2.gz ASKCEKKWFPZQAF-WCQYABFASA-N 1 0 336.396 -1.124 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001037056050 670483524 /nfs/dbraw/zinc/48/35/24/670483524.db2.gz ASKCEKKWFPZQAF-YPMHNXCESA-N 1 0 336.396 -1.124 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN2CCNC(=O)C2)n1 ZINC001037056211 670483879 /nfs/dbraw/zinc/48/38/79/670483879.db2.gz CUDNPWNKQQOSSI-GXTWGEPZSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN2CCNC(=O)C2)n1 ZINC001037056212 670483781 /nfs/dbraw/zinc/48/37/81/670483781.db2.gz CUDNPWNKQQOSSI-JSGCOSHPSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN2CCNC(=O)C2)n1 ZINC001037056213 670483630 /nfs/dbraw/zinc/48/36/30/670483630.db2.gz CUDNPWNKQQOSSI-OCCSQVGLSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN2CCNC(=O)C2)n1 ZINC001037056214 670483846 /nfs/dbraw/zinc/48/38/46/670483846.db2.gz CUDNPWNKQQOSSI-TZMCWYRMSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037056579 670483627 /nfs/dbraw/zinc/48/36/27/670483627.db2.gz IRUBJWVEUVGBCN-GXTWGEPZSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037056580 670483614 /nfs/dbraw/zinc/48/36/14/670483614.db2.gz IRUBJWVEUVGBCN-JSGCOSHPSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037056581 670483721 /nfs/dbraw/zinc/48/37/21/670483721.db2.gz IRUBJWVEUVGBCN-OCCSQVGLSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037056582 670483653 /nfs/dbraw/zinc/48/36/53/670483653.db2.gz IRUBJWVEUVGBCN-TZMCWYRMSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN2CCNC(=O)C2)nn1 ZINC001037056971 670483608 /nfs/dbraw/zinc/48/36/08/670483608.db2.gz OHGWQQSMJIUHBS-GXTWGEPZSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN2CCNC(=O)C2)nn1 ZINC001037056972 670483937 /nfs/dbraw/zinc/48/39/37/670483937.db2.gz OHGWQQSMJIUHBS-JSGCOSHPSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN2CCNC(=O)C2)nn1 ZINC001037056973 670483726 /nfs/dbraw/zinc/48/37/26/670483726.db2.gz OHGWQQSMJIUHBS-OCCSQVGLSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN2CCNC(=O)C2)nn1 ZINC001037056974 670483960 /nfs/dbraw/zinc/48/39/60/670483960.db2.gz OHGWQQSMJIUHBS-TZMCWYRMSA-N 1 0 349.439 -1.379 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001037057099 670484147 /nfs/dbraw/zinc/48/41/47/670484147.db2.gz QCMNBSWGMYHQLA-CHWSQXEVSA-N 1 0 349.439 -1.081 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001037057100 670484103 /nfs/dbraw/zinc/48/41/03/670484103.db2.gz QCMNBSWGMYHQLA-OLZOCXBDSA-N 1 0 349.439 -1.081 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001037057101 670484142 /nfs/dbraw/zinc/48/41/42/670484142.db2.gz QCMNBSWGMYHQLA-QWHCGFSZSA-N 1 0 349.439 -1.081 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001037057102 670484318 /nfs/dbraw/zinc/48/43/18/670484318.db2.gz QCMNBSWGMYHQLA-STQMWFEESA-N 1 0 349.439 -1.081 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037057747 670482048 /nfs/dbraw/zinc/48/20/48/670482048.db2.gz ZWEKIBLHYQYWPN-CHWSQXEVSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037057748 670482324 /nfs/dbraw/zinc/48/23/24/670482324.db2.gz ZWEKIBLHYQYWPN-OLZOCXBDSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037057749 670482267 /nfs/dbraw/zinc/48/22/67/670482267.db2.gz ZWEKIBLHYQYWPN-QWHCGFSZSA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001037057750 670482394 /nfs/dbraw/zinc/48/23/94/670482394.db2.gz ZWEKIBLHYQYWPN-STQMWFEESA-N 1 0 349.439 -1.379 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037059371 670487726 /nfs/dbraw/zinc/48/77/26/670487726.db2.gz XKLJNPDUBYAPBX-BDAKNGLRSA-N 1 0 335.372 -1.680 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037059372 670487690 /nfs/dbraw/zinc/48/76/90/670487690.db2.gz XKLJNPDUBYAPBX-DTWKUNHWSA-N 1 0 335.372 -1.680 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037059373 670487742 /nfs/dbraw/zinc/48/77/42/670487742.db2.gz XKLJNPDUBYAPBX-IUCAKERBSA-N 1 0 335.372 -1.680 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037059374 670487573 /nfs/dbraw/zinc/48/75/73/670487573.db2.gz XKLJNPDUBYAPBX-RKDXNWHRSA-N 1 0 335.372 -1.680 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001037067267 670492760 /nfs/dbraw/zinc/49/27/60/670492760.db2.gz VOFPEALHBSHHSX-NXEZZACHSA-N 1 0 332.368 -1.018 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001037067268 670492657 /nfs/dbraw/zinc/49/26/57/670492657.db2.gz VOFPEALHBSHHSX-UWVGGRQHSA-N 1 0 332.368 -1.018 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001037067269 670492843 /nfs/dbraw/zinc/49/28/43/670492843.db2.gz VOFPEALHBSHHSX-VHSXEESVSA-N 1 0 332.368 -1.018 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001037067270 670492643 /nfs/dbraw/zinc/49/26/43/670492643.db2.gz VOFPEALHBSHHSX-ZJUUUORDSA-N 1 0 332.368 -1.018 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)nc1=O ZINC001037067571 670492948 /nfs/dbraw/zinc/49/29/48/670492948.db2.gz ZVWZZRANGMOASD-NXEZZACHSA-N 1 0 347.379 -1.120 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2c[nH]c(=O)cn2)nc1=O ZINC001037067572 670493135 /nfs/dbraw/zinc/49/31/35/670493135.db2.gz ZVWZZRANGMOASD-UWVGGRQHSA-N 1 0 347.379 -1.120 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)nc1=O ZINC001037067573 670493072 /nfs/dbraw/zinc/49/30/72/670493072.db2.gz ZVWZZRANGMOASD-VHSXEESVSA-N 1 0 347.379 -1.120 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2c[nH]c(=O)cn2)nc1=O ZINC001037067574 670492981 /nfs/dbraw/zinc/49/29/81/670492981.db2.gz ZVWZZRANGMOASD-ZJUUUORDSA-N 1 0 347.379 -1.120 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(N)=O)[nH]c2=O ZINC001037069055 670493933 /nfs/dbraw/zinc/49/39/33/670493933.db2.gz XIEFQZGUUNILNE-PSASIEDQSA-N 1 0 347.379 -1.071 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(N)=O)[nH]c2=O ZINC001037069056 670494019 /nfs/dbraw/zinc/49/40/19/670494019.db2.gz XIEFQZGUUNILNE-SCZZXKLOSA-N 1 0 347.379 -1.071 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(N)=O)[nH]c2=O ZINC001037069057 670493945 /nfs/dbraw/zinc/49/39/45/670493945.db2.gz XIEFQZGUUNILNE-WCBMZHEXSA-N 1 0 347.379 -1.071 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(N)=O)[nH]c2=O ZINC001037069058 670493995 /nfs/dbraw/zinc/49/39/95/670493995.db2.gz XIEFQZGUUNILNE-WPRPVWTQSA-N 1 0 347.379 -1.071 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(N)=O)n1 ZINC001037069935 670495830 /nfs/dbraw/zinc/49/58/30/670495830.db2.gz JWPGHOVIIWRXFB-BDAKNGLRSA-N 1 0 338.368 -1.782 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(N)=O)n1 ZINC001037069936 670495960 /nfs/dbraw/zinc/49/59/60/670495960.db2.gz JWPGHOVIIWRXFB-DTWKUNHWSA-N 1 0 338.368 -1.782 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)n1 ZINC001037069937 670495970 /nfs/dbraw/zinc/49/59/70/670495970.db2.gz JWPGHOVIIWRXFB-IUCAKERBSA-N 1 0 338.368 -1.782 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C(N)=O)n1 ZINC001037069938 670495868 /nfs/dbraw/zinc/49/58/68/670495868.db2.gz JWPGHOVIIWRXFB-RKDXNWHRSA-N 1 0 338.368 -1.782 20 0 EAADRO Cn1c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(N)=O)cc(=O)n(C)c1=O ZINC001037070411 670497115 /nfs/dbraw/zinc/49/71/15/670497115.db2.gz QLBNCVZDBIVZBL-GXSJLCMTSA-N 1 0 337.380 -2.056 20 0 EAADRO Cn1c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(N)=O)cc(=O)n(C)c1=O ZINC001037070412 670497076 /nfs/dbraw/zinc/49/70/76/670497076.db2.gz QLBNCVZDBIVZBL-KOLCDFICSA-N 1 0 337.380 -2.056 20 0 EAADRO Cn1c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C(N)=O)cc(=O)n(C)c1=O ZINC001037070413 670497123 /nfs/dbraw/zinc/49/71/23/670497123.db2.gz QLBNCVZDBIVZBL-MWLCHTKSSA-N 1 0 337.380 -2.056 20 0 EAADRO Cn1c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)cc(=O)n(C)c1=O ZINC001037070414 670497130 /nfs/dbraw/zinc/49/71/30/670497130.db2.gz QLBNCVZDBIVZBL-ONGXEEELSA-N 1 0 337.380 -2.056 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001037090120 670504647 /nfs/dbraw/zinc/50/46/47/670504647.db2.gz JWDFZQWWEJZNBI-GXSJLCMTSA-N 1 0 349.395 -1.363 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001037090123 670504787 /nfs/dbraw/zinc/50/47/87/670504787.db2.gz JWDFZQWWEJZNBI-KOLCDFICSA-N 1 0 349.395 -1.363 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001037090127 670504715 /nfs/dbraw/zinc/50/47/15/670504715.db2.gz JWDFZQWWEJZNBI-MWLCHTKSSA-N 1 0 349.395 -1.363 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001037090131 670504826 /nfs/dbraw/zinc/50/48/26/670504826.db2.gz JWDFZQWWEJZNBI-ONGXEEELSA-N 1 0 349.395 -1.363 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN2CC(=O)NC2=O)n1 ZINC001037090141 670504591 /nfs/dbraw/zinc/50/45/91/670504591.db2.gz BJSXSVXLXBULML-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN2CC(=O)NC2=O)n1 ZINC001037090144 670504819 /nfs/dbraw/zinc/50/48/19/670504819.db2.gz BJSXSVXLXBULML-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN2CC(=O)NC2=O)n1 ZINC001037090145 670504805 /nfs/dbraw/zinc/50/48/05/670504805.db2.gz BJSXSVXLXBULML-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN2CC(=O)NC2=O)n1 ZINC001037090146 670504719 /nfs/dbraw/zinc/50/47/19/670504719.db2.gz BJSXSVXLXBULML-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037090792 670504616 /nfs/dbraw/zinc/50/46/16/670504616.db2.gz SZPRQCZQSJPSKM-NXEZZACHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1ncc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037090793 670504752 /nfs/dbraw/zinc/50/47/52/670504752.db2.gz SZPRQCZQSJPSKM-UWVGGRQHSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037090794 670504783 /nfs/dbraw/zinc/50/47/83/670504783.db2.gz SZPRQCZQSJPSKM-VHSXEESVSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1ncc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037090795 670504554 /nfs/dbraw/zinc/50/45/54/670504554.db2.gz SZPRQCZQSJPSKM-ZJUUUORDSA-N 1 0 334.384 -1.075 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001037091384 670504706 /nfs/dbraw/zinc/50/47/06/670504706.db2.gz DNXHMDIOAMHTGE-GXSJLCMTSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001037091385 670504742 /nfs/dbraw/zinc/50/47/42/670504742.db2.gz DNXHMDIOAMHTGE-KOLCDFICSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001037091386 670504809 /nfs/dbraw/zinc/50/48/09/670504809.db2.gz DNXHMDIOAMHTGE-MWLCHTKSSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001037091387 670504772 /nfs/dbraw/zinc/50/47/72/670504772.db2.gz DNXHMDIOAMHTGE-ONGXEEELSA-N 1 0 336.352 -1.004 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN2CC(=O)NC2=O)nn1 ZINC001037092980 670507402 /nfs/dbraw/zinc/50/74/02/670507402.db2.gz ZYPCSUNEXVEHMS-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN2CC(=O)NC2=O)nn1 ZINC001037092981 670507444 /nfs/dbraw/zinc/50/74/44/670507444.db2.gz ZYPCSUNEXVEHMS-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN2CC(=O)NC2=O)nn1 ZINC001037092982 670507380 /nfs/dbraw/zinc/50/73/80/670507380.db2.gz ZYPCSUNEXVEHMS-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN2CC(=O)NC2=O)nn1 ZINC001037092983 670507421 /nfs/dbraw/zinc/50/74/21/670507421.db2.gz ZYPCSUNEXVEHMS-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099075 670507926 /nfs/dbraw/zinc/50/79/26/670507926.db2.gz PVBVOIQTCWUKGK-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099076 670507982 /nfs/dbraw/zinc/50/79/82/670507982.db2.gz PVBVOIQTCWUKGK-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099077 670507966 /nfs/dbraw/zinc/50/79/66/670507966.db2.gz PVBVOIQTCWUKGK-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099078 670508092 /nfs/dbraw/zinc/50/80/92/670508092.db2.gz PVBVOIQTCWUKGK-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099155 670507851 /nfs/dbraw/zinc/50/78/51/670507851.db2.gz RDSOGPJLSMJNET-GHMZBOCLSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099156 670507788 /nfs/dbraw/zinc/50/77/88/670507788.db2.gz RDSOGPJLSMJNET-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099157 670508077 /nfs/dbraw/zinc/50/80/77/670508077.db2.gz RDSOGPJLSMJNET-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099158 670507823 /nfs/dbraw/zinc/50/78/23/670507823.db2.gz RDSOGPJLSMJNET-WDEREUQCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099511 670507751 /nfs/dbraw/zinc/50/77/51/670507751.db2.gz XAOBTZAKEXXVPX-GHMZBOCLSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099512 670507834 /nfs/dbraw/zinc/50/78/34/670507834.db2.gz XAOBTZAKEXXVPX-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099513 670507697 /nfs/dbraw/zinc/50/76/97/670507697.db2.gz XAOBTZAKEXXVPX-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001037099514 670507690 /nfs/dbraw/zinc/50/76/90/670507690.db2.gz XAOBTZAKEXXVPX-WDEREUQCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cc2nc[nH]n2)nc1=O ZINC001037112560 670511028 /nfs/dbraw/zinc/51/10/28/670511028.db2.gz PVSDYPSJCZJBIW-NXEZZACHSA-N 1 0 334.384 -1.156 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cc2nc[nH]n2)nc1=O ZINC001037112561 670511069 /nfs/dbraw/zinc/51/10/69/670511069.db2.gz PVSDYPSJCZJBIW-UWVGGRQHSA-N 1 0 334.384 -1.156 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cc2nc[nH]n2)nc1=O ZINC001037112562 670511130 /nfs/dbraw/zinc/51/11/30/670511130.db2.gz PVSDYPSJCZJBIW-VHSXEESVSA-N 1 0 334.384 -1.156 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cc2nc[nH]n2)nc1=O ZINC001037112563 670510973 /nfs/dbraw/zinc/51/09/73/670510973.db2.gz PVSDYPSJCZJBIW-ZJUUUORDSA-N 1 0 334.384 -1.156 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2nnnn2C)n(C)c1=O ZINC001037119798 670513609 /nfs/dbraw/zinc/51/36/09/670513609.db2.gz FFQXXSSPVMDQKA-GHMZBOCLSA-N 1 0 348.411 -1.064 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2nnnn2C)n(C)c1=O ZINC001037119799 670513945 /nfs/dbraw/zinc/51/39/45/670513945.db2.gz FFQXXSSPVMDQKA-MNOVXSKESA-N 1 0 348.411 -1.064 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2nnnn2C)n(C)c1=O ZINC001037119800 670513784 /nfs/dbraw/zinc/51/37/84/670513784.db2.gz FFQXXSSPVMDQKA-QWRGUYRKSA-N 1 0 348.411 -1.064 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2nnnn2C)n(C)c1=O ZINC001037119801 670513657 /nfs/dbraw/zinc/51/36/57/670513657.db2.gz FFQXXSSPVMDQKA-WDEREUQCSA-N 1 0 348.411 -1.064 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cnon2)nn1 ZINC001037121443 670514846 /nfs/dbraw/zinc/51/48/46/670514846.db2.gz OMFDDJRACQKSJK-GXSJLCMTSA-N 1 0 348.367 -1.165 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cnon2)nn1 ZINC001037121444 670515128 /nfs/dbraw/zinc/51/51/28/670515128.db2.gz OMFDDJRACQKSJK-KOLCDFICSA-N 1 0 348.367 -1.165 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cnon2)nn1 ZINC001037121445 670514936 /nfs/dbraw/zinc/51/49/36/670514936.db2.gz OMFDDJRACQKSJK-MWLCHTKSSA-N 1 0 348.367 -1.165 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cnon2)nn1 ZINC001037121446 670515105 /nfs/dbraw/zinc/51/51/05/670515105.db2.gz OMFDDJRACQKSJK-ONGXEEELSA-N 1 0 348.367 -1.165 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001037128288 670516635 /nfs/dbraw/zinc/51/66/35/670516635.db2.gz PLPAUNCFCPMYPF-GHMZBOCLSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001037128289 670516492 /nfs/dbraw/zinc/51/64/92/670516492.db2.gz PLPAUNCFCPMYPF-MNOVXSKESA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001037128290 670516191 /nfs/dbraw/zinc/51/61/91/670516191.db2.gz PLPAUNCFCPMYPF-QWRGUYRKSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001037128291 670516641 /nfs/dbraw/zinc/51/66/41/670516641.db2.gz PLPAUNCFCPMYPF-WDEREUQCSA-N 1 0 346.395 -1.008 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2cncn2)nc1=O ZINC001037128532 670516484 /nfs/dbraw/zinc/51/64/84/670516484.db2.gz UPMNLKPRIRYRTE-GHMZBOCLSA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2cncn2)nc1=O ZINC001037128533 670516459 /nfs/dbraw/zinc/51/64/59/670516459.db2.gz UPMNLKPRIRYRTE-MNOVXSKESA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2cncn2)nc1=O ZINC001037128534 670516655 /nfs/dbraw/zinc/51/66/55/670516655.db2.gz UPMNLKPRIRYRTE-QWRGUYRKSA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2cncn2)nc1=O ZINC001037128535 670516445 /nfs/dbraw/zinc/51/64/45/670516445.db2.gz UPMNLKPRIRYRTE-WDEREUQCSA-N 1 0 334.384 -1.225 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037147913 670530338 /nfs/dbraw/zinc/53/03/38/670530338.db2.gz DPGFXEDNCROYTG-GHMZBOCLSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037147915 670530538 /nfs/dbraw/zinc/53/05/38/670530538.db2.gz DPGFXEDNCROYTG-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037147917 670530411 /nfs/dbraw/zinc/53/04/11/670530411.db2.gz DPGFXEDNCROYTG-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037147920 670530771 /nfs/dbraw/zinc/53/07/71/670530771.db2.gz DPGFXEDNCROYTG-WDEREUQCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001037148014 670530756 /nfs/dbraw/zinc/53/07/56/670530756.db2.gz FCEQMRPUUYLXQH-GHMZBOCLSA-N 1 0 349.395 -1.266 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC001037148040 670530563 /nfs/dbraw/zinc/53/05/63/670530563.db2.gz FCEQMRPUUYLXQH-MNOVXSKESA-N 1 0 349.395 -1.266 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC001037148045 670530765 /nfs/dbraw/zinc/53/07/65/670530765.db2.gz FCEQMRPUUYLXQH-QWRGUYRKSA-N 1 0 349.395 -1.266 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001037148048 670530348 /nfs/dbraw/zinc/53/03/48/670530348.db2.gz FCEQMRPUUYLXQH-WDEREUQCSA-N 1 0 349.395 -1.266 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN2C(=O)CNC2=O)nn1 ZINC001037148101 670530629 /nfs/dbraw/zinc/53/06/29/670530629.db2.gz FLENIOLLSKXCFL-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN2C(=O)CNC2=O)nn1 ZINC001037148103 670530652 /nfs/dbraw/zinc/53/06/52/670530652.db2.gz FLENIOLLSKXCFL-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN2C(=O)CNC2=O)nn1 ZINC001037148106 670530484 /nfs/dbraw/zinc/53/04/84/670530484.db2.gz FLENIOLLSKXCFL-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN2C(=O)CNC2=O)nn1 ZINC001037148108 670530549 /nfs/dbraw/zinc/53/05/49/670530549.db2.gz FLENIOLLSKXCFL-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN2C(=O)CNC2=O)n1 ZINC001037148929 670531232 /nfs/dbraw/zinc/53/12/32/670531232.db2.gz GHQVJVVOIMCZJP-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN2C(=O)CNC2=O)n1 ZINC001037148934 670531295 /nfs/dbraw/zinc/53/12/95/670531295.db2.gz GHQVJVVOIMCZJP-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN2C(=O)CNC2=O)n1 ZINC001037148938 670531145 /nfs/dbraw/zinc/53/11/45/670531145.db2.gz GHQVJVVOIMCZJP-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN2C(=O)CNC2=O)n1 ZINC001037148940 670531221 /nfs/dbraw/zinc/53/12/21/670531221.db2.gz GHQVJVVOIMCZJP-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037151895 670530751 /nfs/dbraw/zinc/53/07/51/670530751.db2.gz MHZAJWKGXOGVLT-CMPLNLGQSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037151900 670530686 /nfs/dbraw/zinc/53/06/86/670530686.db2.gz MHZAJWKGXOGVLT-JQWIXIFHSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037151903 670530401 /nfs/dbraw/zinc/53/04/01/670530401.db2.gz MHZAJWKGXOGVLT-PWSUYJOCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037151906 670530500 /nfs/dbraw/zinc/53/05/00/670530500.db2.gz MHZAJWKGXOGVLT-ZYHUDNBSSA-N 1 0 349.395 -1.259 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001037152606 670531109 /nfs/dbraw/zinc/53/11/09/670531109.db2.gz OQUPYZKILQPFQQ-GXSJLCMTSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001037152607 670531212 /nfs/dbraw/zinc/53/12/12/670531212.db2.gz OQUPYZKILQPFQQ-KOLCDFICSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001037152608 670531339 /nfs/dbraw/zinc/53/13/39/670531339.db2.gz OQUPYZKILQPFQQ-MWLCHTKSSA-N 1 0 336.352 -1.004 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001037152609 670531165 /nfs/dbraw/zinc/53/11/65/670531165.db2.gz OQUPYZKILQPFQQ-ONGXEEELSA-N 1 0 336.352 -1.004 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037153601 670531878 /nfs/dbraw/zinc/53/18/78/670531878.db2.gz RKNQUQCJGBWGEY-GHMZBOCLSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037153602 670531662 /nfs/dbraw/zinc/53/16/62/670531662.db2.gz RKNQUQCJGBWGEY-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037153604 670531727 /nfs/dbraw/zinc/53/17/27/670531727.db2.gz RKNQUQCJGBWGEY-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001037153605 670531761 /nfs/dbraw/zinc/53/17/61/670531761.db2.gz RKNQUQCJGBWGEY-WDEREUQCSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001037161229 670535225 /nfs/dbraw/zinc/53/52/25/670535225.db2.gz LQRBBAMOJKBXHZ-GHMZBOCLSA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001037161230 670535110 /nfs/dbraw/zinc/53/51/10/670535110.db2.gz LQRBBAMOJKBXHZ-MNOVXSKESA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001037161231 670535234 /nfs/dbraw/zinc/53/52/34/670535234.db2.gz LQRBBAMOJKBXHZ-QWRGUYRKSA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)Cn2cnnn2)nc1=O ZINC001037161232 670535065 /nfs/dbraw/zinc/53/50/65/670535065.db2.gz LQRBBAMOJKBXHZ-WDEREUQCSA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001037175508 670544864 /nfs/dbraw/zinc/54/48/64/670544864.db2.gz ZWZDQDSBIWACBM-GHMZBOCLSA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001037175509 670545014 /nfs/dbraw/zinc/54/50/14/670545014.db2.gz ZWZDQDSBIWACBM-MNOVXSKESA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001037175510 670544909 /nfs/dbraw/zinc/54/49/09/670544909.db2.gz ZWZDQDSBIWACBM-QWRGUYRKSA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001037175511 670545097 /nfs/dbraw/zinc/54/50/97/670545097.db2.gz ZWZDQDSBIWACBM-WDEREUQCSA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001037192011 670766171 /nfs/dbraw/zinc/76/61/71/670766171.db2.gz OFJORHVOOHETOJ-GHMZBOCLSA-N 1 0 349.399 -1.028 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN1CN=NC1=O ZINC001037192012 670766118 /nfs/dbraw/zinc/76/61/18/670766118.db2.gz OFJORHVOOHETOJ-MNOVXSKESA-N 1 0 349.399 -1.028 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN1CN=NC1=O ZINC001037192013 670766101 /nfs/dbraw/zinc/76/61/01/670766101.db2.gz OFJORHVOOHETOJ-QWRGUYRKSA-N 1 0 349.399 -1.028 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001037192014 670766264 /nfs/dbraw/zinc/76/62/64/670766264.db2.gz OFJORHVOOHETOJ-WDEREUQCSA-N 1 0 349.399 -1.028 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037220969 671899364 /nfs/dbraw/zinc/89/93/64/671899364.db2.gz DSIIQPDYAPYZEQ-NXEZZACHSA-N 1 0 349.399 -1.290 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037220970 671899285 /nfs/dbraw/zinc/89/92/85/671899285.db2.gz DSIIQPDYAPYZEQ-UWVGGRQHSA-N 1 0 349.399 -1.290 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037220971 671899320 /nfs/dbraw/zinc/89/93/20/671899320.db2.gz DSIIQPDYAPYZEQ-VHSXEESVSA-N 1 0 349.399 -1.290 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001037220972 671899385 /nfs/dbraw/zinc/89/93/85/671899385.db2.gz DSIIQPDYAPYZEQ-ZJUUUORDSA-N 1 0 349.399 -1.290 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001037223437 671900702 /nfs/dbraw/zinc/90/07/02/671900702.db2.gz MUBFDOAQUZLXLX-NXEZZACHSA-N 1 0 334.388 -1.188 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001037223439 671900727 /nfs/dbraw/zinc/90/07/27/671900727.db2.gz MUBFDOAQUZLXLX-UWVGGRQHSA-N 1 0 334.388 -1.188 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001037223441 671900657 /nfs/dbraw/zinc/90/06/57/671900657.db2.gz MUBFDOAQUZLXLX-VHSXEESVSA-N 1 0 334.388 -1.188 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001037223443 671900640 /nfs/dbraw/zinc/90/06/40/671900640.db2.gz MUBFDOAQUZLXLX-ZJUUUORDSA-N 1 0 334.388 -1.188 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037223981 671901160 /nfs/dbraw/zinc/90/11/60/671901160.db2.gz DWCHXAPSPZFTBB-GHMZBOCLSA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037223982 671901054 /nfs/dbraw/zinc/90/10/54/671901054.db2.gz DWCHXAPSPZFTBB-MNOVXSKESA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037223984 671901113 /nfs/dbraw/zinc/90/11/13/671901113.db2.gz DWCHXAPSPZFTBB-QWRGUYRKSA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001037223986 671901120 /nfs/dbraw/zinc/90/11/20/671901120.db2.gz DWCHXAPSPZFTBB-WDEREUQCSA-N 1 0 349.399 -1.440 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001037230676 671909189 /nfs/dbraw/zinc/90/91/89/671909189.db2.gz WAOYGNIRXKPBLB-GHMZBOCLSA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncnn1 ZINC001037230677 671909400 /nfs/dbraw/zinc/90/94/00/671909400.db2.gz WAOYGNIRXKPBLB-MNOVXSKESA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncnn1 ZINC001037230679 671909422 /nfs/dbraw/zinc/90/94/22/671909422.db2.gz WAOYGNIRXKPBLB-QWRGUYRKSA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001037230680 671909126 /nfs/dbraw/zinc/90/91/26/671909126.db2.gz WAOYGNIRXKPBLB-WDEREUQCSA-N 1 0 334.388 -1.339 20 0 EAADRO CC[C@@H]1CN(C(=O)COC)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037756429 672240448 /nfs/dbraw/zinc/24/04/48/672240448.db2.gz LUIXORIVRPLCFO-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[C@@H]1CN(C(=O)COC)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037756431 672240464 /nfs/dbraw/zinc/24/04/64/672240464.db2.gz LUIXORIVRPLCFO-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[C@H]1CN(C(=O)COC)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037756432 672241050 /nfs/dbraw/zinc/24/10/50/672241050.db2.gz LUIXORIVRPLCFO-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[C@H]1CN(C(=O)COC)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037756433 672241027 /nfs/dbraw/zinc/24/10/27/672241027.db2.gz LUIXORIVRPLCFO-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037776504 672250614 /nfs/dbraw/zinc/25/06/14/672250614.db2.gz DAILEECOEVJTJM-GHMZBOCLSA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037776505 672250666 /nfs/dbraw/zinc/25/06/66/672250666.db2.gz DAILEECOEVJTJM-MNOVXSKESA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037776506 672250635 /nfs/dbraw/zinc/25/06/35/672250635.db2.gz DAILEECOEVJTJM-QWRGUYRKSA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037776507 672250682 /nfs/dbraw/zinc/25/06/82/672250682.db2.gz DAILEECOEVJTJM-WDEREUQCSA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037777905 672251470 /nfs/dbraw/zinc/25/14/70/672251470.db2.gz IXHLTRGWRPPCPA-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037777908 672251430 /nfs/dbraw/zinc/25/14/30/672251430.db2.gz IXHLTRGWRPPCPA-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037777910 672251355 /nfs/dbraw/zinc/25/13/55/672251355.db2.gz IXHLTRGWRPPCPA-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037777911 672251371 /nfs/dbraw/zinc/25/13/71/672251371.db2.gz IXHLTRGWRPPCPA-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037802667 672277219 /nfs/dbraw/zinc/27/72/19/672277219.db2.gz SGEYOBHSQBITNC-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037802679 672277310 /nfs/dbraw/zinc/27/73/10/672277310.db2.gz SGEYOBHSQBITNC-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037802680 672277367 /nfs/dbraw/zinc/27/73/67/672277367.db2.gz SGEYOBHSQBITNC-QWRGUYRKSA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037802682 672277304 /nfs/dbraw/zinc/27/73/04/672277304.db2.gz SGEYOBHSQBITNC-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037805672 672280581 /nfs/dbraw/zinc/28/05/81/672280581.db2.gz DAZBSQYMAAWFGU-GHMZBOCLSA-N 1 0 344.441 -1.029 20 0 EAADRO CC[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037805680 672280631 /nfs/dbraw/zinc/28/06/31/672280631.db2.gz DAZBSQYMAAWFGU-MNOVXSKESA-N 1 0 344.441 -1.029 20 0 EAADRO CC[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037805682 672280612 /nfs/dbraw/zinc/28/06/12/672280612.db2.gz DAZBSQYMAAWFGU-QWRGUYRKSA-N 1 0 344.441 -1.029 20 0 EAADRO CC[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037805685 672280603 /nfs/dbraw/zinc/28/06/03/672280603.db2.gz DAZBSQYMAAWFGU-WDEREUQCSA-N 1 0 344.441 -1.029 20 0 EAADRO CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037814600 672287092 /nfs/dbraw/zinc/28/70/92/672287092.db2.gz QLPIVRSEKAHIRY-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037814603 672287081 /nfs/dbraw/zinc/28/70/81/672287081.db2.gz QLPIVRSEKAHIRY-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037814605 672287357 /nfs/dbraw/zinc/28/73/57/672287357.db2.gz QLPIVRSEKAHIRY-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037814607 672287432 /nfs/dbraw/zinc/28/74/32/672287432.db2.gz QLPIVRSEKAHIRY-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037836416 672330920 /nfs/dbraw/zinc/33/09/20/672330920.db2.gz CQDCROWFHSVNJI-GHMZBOCLSA-N 1 0 349.399 -1.076 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037836421 672331024 /nfs/dbraw/zinc/33/10/24/672331024.db2.gz CQDCROWFHSVNJI-MNOVXSKESA-N 1 0 349.399 -1.076 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037836425 672331041 /nfs/dbraw/zinc/33/10/41/672331041.db2.gz CQDCROWFHSVNJI-QWRGUYRKSA-N 1 0 349.399 -1.076 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037836430 672330946 /nfs/dbraw/zinc/33/09/46/672330946.db2.gz CQDCROWFHSVNJI-WDEREUQCSA-N 1 0 349.399 -1.076 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1[NH2+]CC(N)=O ZINC001037842495 672335811 /nfs/dbraw/zinc/33/58/11/672335811.db2.gz CETOEPNAAWYXAZ-NXEZZACHSA-N 1 0 337.384 -1.921 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037842499 672335751 /nfs/dbraw/zinc/33/57/51/672335751.db2.gz CETOEPNAAWYXAZ-UWVGGRQHSA-N 1 0 337.384 -1.921 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1[NH2+]CC(N)=O ZINC001037842501 672335710 /nfs/dbraw/zinc/33/57/10/672335710.db2.gz CETOEPNAAWYXAZ-VHSXEESVSA-N 1 0 337.384 -1.921 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037842505 672335795 /nfs/dbraw/zinc/33/57/95/672335795.db2.gz CETOEPNAAWYXAZ-ZJUUUORDSA-N 1 0 337.384 -1.921 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037856042 672339921 /nfs/dbraw/zinc/33/99/21/672339921.db2.gz QVIYWKXKEUXUSX-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037856043 672339998 /nfs/dbraw/zinc/33/99/98/672339998.db2.gz QVIYWKXKEUXUSX-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037856045 672339815 /nfs/dbraw/zinc/33/98/15/672339815.db2.gz QVIYWKXKEUXUSX-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037856049 672339950 /nfs/dbraw/zinc/33/99/50/672339950.db2.gz QVIYWKXKEUXUSX-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037858057 672340853 /nfs/dbraw/zinc/34/08/53/672340853.db2.gz WZJVQAADDPQVSG-GHMZBOCLSA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037858059 672340888 /nfs/dbraw/zinc/34/08/88/672340888.db2.gz WZJVQAADDPQVSG-MNOVXSKESA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037858062 672340918 /nfs/dbraw/zinc/34/09/18/672340918.db2.gz WZJVQAADDPQVSG-QWRGUYRKSA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037858064 672340981 /nfs/dbraw/zinc/34/09/81/672340981.db2.gz WZJVQAADDPQVSG-WDEREUQCSA-N 1 0 334.388 -1.387 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037860994 672343110 /nfs/dbraw/zinc/34/31/10/672343110.db2.gz XLZBACTUPAZLOY-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037861001 672343015 /nfs/dbraw/zinc/34/30/15/672343015.db2.gz XLZBACTUPAZLOY-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037861004 672343017 /nfs/dbraw/zinc/34/30/17/672343017.db2.gz XLZBACTUPAZLOY-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037861005 672343126 /nfs/dbraw/zinc/34/31/26/672343126.db2.gz XLZBACTUPAZLOY-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1[NH2+]CCO ZINC001037867560 672344988 /nfs/dbraw/zinc/34/49/88/672344988.db2.gz CLIKBRXXLSQJIZ-KBPBESRZSA-N 1 0 326.441 -1.031 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1[NH2+]CCO ZINC001037867561 672345034 /nfs/dbraw/zinc/34/50/34/672345034.db2.gz CLIKBRXXLSQJIZ-KGLIPLIRSA-N 1 0 326.441 -1.031 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1[NH2+]CCO ZINC001037867563 672344918 /nfs/dbraw/zinc/34/49/18/672344918.db2.gz CLIKBRXXLSQJIZ-UONOGXRCSA-N 1 0 326.441 -1.031 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1[NH2+]CCO ZINC001037867564 672345110 /nfs/dbraw/zinc/34/51/10/672345110.db2.gz CLIKBRXXLSQJIZ-ZIAGYGMSSA-N 1 0 326.441 -1.031 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037870617 672346557 /nfs/dbraw/zinc/34/65/57/672346557.db2.gz XZOWLZGFFGPPCX-NEPJUHHUSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037870625 672346643 /nfs/dbraw/zinc/34/66/43/672346643.db2.gz XZOWLZGFFGPPCX-NWDGAFQWSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037870627 672346611 /nfs/dbraw/zinc/34/66/11/672346611.db2.gz XZOWLZGFFGPPCX-RYUDHWBXSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037870629 672346479 /nfs/dbraw/zinc/34/64/79/672346479.db2.gz XZOWLZGFFGPPCX-VXGBXAGGSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1[NH2+]CCO ZINC001037870651 672346509 /nfs/dbraw/zinc/34/65/09/672346509.db2.gz YATKXECBIRRAKK-CHWSQXEVSA-N 1 0 338.408 -1.244 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1[NH2+]CCO ZINC001037870653 672346561 /nfs/dbraw/zinc/34/65/61/672346561.db2.gz YATKXECBIRRAKK-OLZOCXBDSA-N 1 0 338.408 -1.244 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1[NH2+]CCO ZINC001037870654 672346622 /nfs/dbraw/zinc/34/66/22/672346622.db2.gz YATKXECBIRRAKK-QWHCGFSZSA-N 1 0 338.408 -1.244 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1[NH2+]CCO ZINC001037870656 672346513 /nfs/dbraw/zinc/34/65/13/672346513.db2.gz YATKXECBIRRAKK-STQMWFEESA-N 1 0 338.408 -1.244 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001037870941 672346787 /nfs/dbraw/zinc/34/67/87/672346787.db2.gz WOXVAMPQXLSMOA-CHWSQXEVSA-N 1 0 339.440 -1.538 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037870942 672346791 /nfs/dbraw/zinc/34/67/91/672346791.db2.gz WOXVAMPQXLSMOA-OLZOCXBDSA-N 1 0 339.440 -1.538 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001037870943 672346862 /nfs/dbraw/zinc/34/68/62/672346862.db2.gz WOXVAMPQXLSMOA-QWHCGFSZSA-N 1 0 339.440 -1.538 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037870945 672346899 /nfs/dbraw/zinc/34/68/99/672346899.db2.gz WOXVAMPQXLSMOA-STQMWFEESA-N 1 0 339.440 -1.538 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037876274 672352930 /nfs/dbraw/zinc/35/29/30/672352930.db2.gz MOJDPRNHRIISNS-GHMZBOCLSA-N 1 0 337.380 -1.349 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037876328 672353090 /nfs/dbraw/zinc/35/30/90/672353090.db2.gz MOJDPRNHRIISNS-MNOVXSKESA-N 1 0 337.380 -1.349 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037876331 672352920 /nfs/dbraw/zinc/35/29/20/672352920.db2.gz MOJDPRNHRIISNS-QWRGUYRKSA-N 1 0 337.380 -1.349 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037876333 672352904 /nfs/dbraw/zinc/35/29/04/672352904.db2.gz MOJDPRNHRIISNS-WDEREUQCSA-N 1 0 337.380 -1.349 20 0 EAADRO CC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037887039 672365340 /nfs/dbraw/zinc/36/53/40/672365340.db2.gz NWFUURYAADUIPX-NEPJUHHUSA-N 1 0 338.412 -1.326 20 0 EAADRO CC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037887040 672365309 /nfs/dbraw/zinc/36/53/09/672365309.db2.gz NWFUURYAADUIPX-NWDGAFQWSA-N 1 0 338.412 -1.326 20 0 EAADRO CC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037887041 672365242 /nfs/dbraw/zinc/36/52/42/672365242.db2.gz NWFUURYAADUIPX-RYUDHWBXSA-N 1 0 338.412 -1.326 20 0 EAADRO CC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037887042 672365277 /nfs/dbraw/zinc/36/52/77/672365277.db2.gz NWFUURYAADUIPX-VXGBXAGGSA-N 1 0 338.412 -1.326 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037892565 672367842 /nfs/dbraw/zinc/36/78/42/672367842.db2.gz RBKDTZKAQAFXII-NEPJUHHUSA-N 1 0 325.413 -1.880 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001037892569 672367791 /nfs/dbraw/zinc/36/77/91/672367791.db2.gz RBKDTZKAQAFXII-NWDGAFQWSA-N 1 0 325.413 -1.880 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037892570 672367787 /nfs/dbraw/zinc/36/77/87/672367787.db2.gz RBKDTZKAQAFXII-RYUDHWBXSA-N 1 0 325.413 -1.880 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001037892571 672367852 /nfs/dbraw/zinc/36/78/52/672367852.db2.gz RBKDTZKAQAFXII-VXGBXAGGSA-N 1 0 325.413 -1.880 20 0 EAADRO CC[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037898214 672372383 /nfs/dbraw/zinc/37/23/83/672372383.db2.gz OLVAXLRDAPYHRR-NXEZZACHSA-N 1 0 349.399 -1.338 20 0 EAADRO CC[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037898216 672372512 /nfs/dbraw/zinc/37/25/12/672372512.db2.gz OLVAXLRDAPYHRR-UWVGGRQHSA-N 1 0 349.399 -1.338 20 0 EAADRO CC[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037898218 672372491 /nfs/dbraw/zinc/37/24/91/672372491.db2.gz OLVAXLRDAPYHRR-VHSXEESVSA-N 1 0 349.399 -1.338 20 0 EAADRO CC[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001037898220 672372419 /nfs/dbraw/zinc/37/24/19/672372419.db2.gz OLVAXLRDAPYHRR-ZJUUUORDSA-N 1 0 349.399 -1.338 20 0 EAADRO CC[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037900028 672372403 /nfs/dbraw/zinc/37/24/03/672372403.db2.gz VVRXZKFCTMRSQY-NXEZZACHSA-N 1 0 334.388 -1.236 20 0 EAADRO CC[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037900029 672372575 /nfs/dbraw/zinc/37/25/75/672372575.db2.gz VVRXZKFCTMRSQY-UWVGGRQHSA-N 1 0 334.388 -1.236 20 0 EAADRO CC[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001037900031 672372643 /nfs/dbraw/zinc/37/26/43/672372643.db2.gz VVRXZKFCTMRSQY-VHSXEESVSA-N 1 0 334.388 -1.236 20 0 EAADRO CC[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001037900032 672372631 /nfs/dbraw/zinc/37/26/31/672372631.db2.gz VVRXZKFCTMRSQY-ZJUUUORDSA-N 1 0 334.388 -1.236 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037903281 672372967 /nfs/dbraw/zinc/37/29/67/672372967.db2.gz IPMMQWWHMHYZSW-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037903282 672372936 /nfs/dbraw/zinc/37/29/36/672372936.db2.gz IPMMQWWHMHYZSW-UWVGGRQHSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037903283 672372969 /nfs/dbraw/zinc/37/29/69/672372969.db2.gz IPMMQWWHMHYZSW-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001037903284 672372965 /nfs/dbraw/zinc/37/29/65/672372965.db2.gz IPMMQWWHMHYZSW-ZJUUUORDSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037903305 672372971 /nfs/dbraw/zinc/37/29/71/672372971.db2.gz IRUWZBAYDNVMBU-GHMZBOCLSA-N 1 0 339.396 -2.353 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037903306 672372904 /nfs/dbraw/zinc/37/29/04/672372904.db2.gz IRUWZBAYDNVMBU-MNOVXSKESA-N 1 0 339.396 -2.353 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037903307 672372912 /nfs/dbraw/zinc/37/29/12/672372912.db2.gz IRUWZBAYDNVMBU-QWRGUYRKSA-N 1 0 339.396 -2.353 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001037903308 672372977 /nfs/dbraw/zinc/37/29/77/672372977.db2.gz IRUWZBAYDNVMBU-WDEREUQCSA-N 1 0 339.396 -2.353 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001037907023 672373636 /nfs/dbraw/zinc/37/36/36/672373636.db2.gz VWDSYOBMAQUTHB-NEPJUHHUSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001037907024 672373647 /nfs/dbraw/zinc/37/36/47/672373647.db2.gz VWDSYOBMAQUTHB-NWDGAFQWSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001037907025 672373583 /nfs/dbraw/zinc/37/35/83/672373583.db2.gz VWDSYOBMAQUTHB-RYUDHWBXSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001037907026 672373637 /nfs/dbraw/zinc/37/36/37/672373637.db2.gz VWDSYOBMAQUTHB-VXGBXAGGSA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037915972 672375106 /nfs/dbraw/zinc/37/51/06/672375106.db2.gz ZRQRXALVGBFYCB-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037915976 672375087 /nfs/dbraw/zinc/37/50/87/672375087.db2.gz ZRQRXALVGBFYCB-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037915978 672375168 /nfs/dbraw/zinc/37/51/68/672375168.db2.gz ZRQRXALVGBFYCB-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001037915980 672375101 /nfs/dbraw/zinc/37/51/01/672375101.db2.gz ZRQRXALVGBFYCB-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1[NH2+]CCO ZINC001037919532 672380381 /nfs/dbraw/zinc/38/03/81/672380381.db2.gz OZYGFBCFOQUPAZ-GXSJLCMTSA-N 1 0 345.425 -1.120 20 0 EAADRO CC[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1[NH2+]CCO ZINC001037919533 672380279 /nfs/dbraw/zinc/38/02/79/672380279.db2.gz OZYGFBCFOQUPAZ-KOLCDFICSA-N 1 0 345.425 -1.120 20 0 EAADRO CC[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1[NH2+]CCO ZINC001037919534 672380431 /nfs/dbraw/zinc/38/04/31/672380431.db2.gz OZYGFBCFOQUPAZ-MWLCHTKSSA-N 1 0 345.425 -1.120 20 0 EAADRO CC[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1[NH2+]CCO ZINC001037919535 672380404 /nfs/dbraw/zinc/38/04/04/672380404.db2.gz OZYGFBCFOQUPAZ-ONGXEEELSA-N 1 0 345.425 -1.120 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1[NH2+]CCO ZINC001037924909 672386528 /nfs/dbraw/zinc/38/65/28/672386528.db2.gz HCZMMWWTDGVQNW-GHMZBOCLSA-N 1 0 340.380 -1.384 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1[NH2+]CCO ZINC001037924913 672386448 /nfs/dbraw/zinc/38/64/48/672386448.db2.gz HCZMMWWTDGVQNW-MNOVXSKESA-N 1 0 340.380 -1.384 20 0 EAADRO CC[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1[NH2+]CCO ZINC001037924914 672386596 /nfs/dbraw/zinc/38/65/96/672386596.db2.gz HCZMMWWTDGVQNW-QWRGUYRKSA-N 1 0 340.380 -1.384 20 0 EAADRO CC[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1[NH2+]CCO ZINC001037924915 672386457 /nfs/dbraw/zinc/38/64/57/672386457.db2.gz HCZMMWWTDGVQNW-WDEREUQCSA-N 1 0 340.380 -1.384 20 0 EAADRO CC[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH2+]CCO ZINC001037934143 672388490 /nfs/dbraw/zinc/38/84/90/672388490.db2.gz KYZBVIXSPDYSNF-AAEUAGOBSA-N 1 0 338.408 -1.093 20 0 EAADRO CC[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH2+]CCO ZINC001037934146 672388446 /nfs/dbraw/zinc/38/84/46/672388446.db2.gz KYZBVIXSPDYSNF-DGCLKSJQSA-N 1 0 338.408 -1.093 20 0 EAADRO CC[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH2+]CCO ZINC001037934147 672388477 /nfs/dbraw/zinc/38/84/77/672388477.db2.gz KYZBVIXSPDYSNF-WCQYABFASA-N 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ZINC001037948618 672390706 /nfs/dbraw/zinc/39/07/06/672390706.db2.gz PXUMSGJJFRUJHN-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037948619 672390681 /nfs/dbraw/zinc/39/06/81/672390681.db2.gz PXUMSGJJFRUJHN-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037948620 672390603 /nfs/dbraw/zinc/39/06/03/672390603.db2.gz PXUMSGJJFRUJHN-QWRGUYRKSA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037948621 672390736 /nfs/dbraw/zinc/39/07/36/672390736.db2.gz PXUMSGJJFRUJHN-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO CC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037963657 672393866 /nfs/dbraw/zinc/39/38/66/672393866.db2.gz QSCYMLNMRVKPAH-NEPJUHHUSA-N 1 0 338.412 -1.408 20 0 EAADRO CC[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037963659 672393925 /nfs/dbraw/zinc/39/39/25/672393925.db2.gz 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ZINC001037974554 672395538 /nfs/dbraw/zinc/39/55/38/672395538.db2.gz QNPXEZXVPQJGPS-GXSJLCMTSA-N 1 0 337.380 -1.199 20 0 EAADRO CC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037974555 672395527 /nfs/dbraw/zinc/39/55/27/672395527.db2.gz QNPXEZXVPQJGPS-KOLCDFICSA-N 1 0 337.380 -1.199 20 0 EAADRO CC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037974556 672395384 /nfs/dbraw/zinc/39/53/84/672395384.db2.gz QNPXEZXVPQJGPS-MWLCHTKSSA-N 1 0 337.380 -1.199 20 0 EAADRO CC[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037974557 672395543 /nfs/dbraw/zinc/39/55/43/672395543.db2.gz QNPXEZXVPQJGPS-ONGXEEELSA-N 1 0 337.380 -1.199 20 0 EAADRO CC[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1[NH2+]CCO ZINC001037978015 672396183 /nfs/dbraw/zinc/39/61/83/672396183.db2.gz JVVIWJAHQDHDMC-KBPBESRZSA-N 1 0 347.481 -1.074 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1[NH2+]CCO ZINC001037978018 672396269 /nfs/dbraw/zinc/39/62/69/672396269.db2.gz 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CC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037980795 672396782 /nfs/dbraw/zinc/39/67/82/672396782.db2.gz AGKUOFIXDRXEII-ZJUUUORDSA-N 1 0 337.384 -1.921 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037986426 672397184 /nfs/dbraw/zinc/39/71/84/672397184.db2.gz PYHUIRLVRJQEQY-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037986428 672397155 /nfs/dbraw/zinc/39/71/55/672397155.db2.gz PYHUIRLVRJQEQY-UWVGGRQHSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037986429 672397255 /nfs/dbraw/zinc/39/72/55/672397255.db2.gz PYHUIRLVRJQEQY-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1[NH2+]CC(N)=O ZINC001037986430 672397549 /nfs/dbraw/zinc/39/75/49/672397549.db2.gz PYHUIRLVRJQEQY-ZJUUUORDSA-N 1 0 325.369 -1.760 20 0 EAADRO CC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1[NH2+]CC(N)=O ZINC001037987915 672398247 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/nfs/dbraw/zinc/36/57/42/668365742.db2.gz MJTZYROMRISARQ-YPMHNXCESA-N 1 0 336.392 -1.047 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC(=O)N1CCNC(=O)C1 ZINC001038106921 669040183 /nfs/dbraw/zinc/04/01/83/669040183.db2.gz BLQVBCQRDNRLJP-CHWSQXEVSA-N 1 0 337.424 -1.771 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)N1CCNC(=O)C1 ZINC001038106924 669040122 /nfs/dbraw/zinc/04/01/22/669040122.db2.gz BLQVBCQRDNRLJP-OLZOCXBDSA-N 1 0 337.424 -1.771 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(=O)N1CCNC(=O)C1 ZINC001038106927 669040370 /nfs/dbraw/zinc/04/03/70/669040370.db2.gz BLQVBCQRDNRLJP-QWHCGFSZSA-N 1 0 337.424 -1.771 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)N1CCNC(=O)C1 ZINC001038106931 669040157 /nfs/dbraw/zinc/04/01/57/669040157.db2.gz BLQVBCQRDNRLJP-STQMWFEESA-N 1 0 337.424 -1.771 20 0 EAADRO Cn1c(CN2CC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)cc(=O)n(C)c1=O ZINC001038115526 669251669 /nfs/dbraw/zinc/25/16/69/669251669.db2.gz HZMXYDMOJWLENG-GXTWGEPZSA-N 1 0 349.435 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UKVMSOJDNKZLMN-QWHCGFSZSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1nc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)ccc1=O ZINC001038997490 673077790 /nfs/dbraw/zinc/07/77/90/673077790.db2.gz UKVMSOJDNKZLMN-STQMWFEESA-N 1 0 346.391 -1.158 20 0 EAADRO O=C(NC[C@H]1CCN1CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039023190 668088629 /nfs/dbraw/zinc/08/86/29/668088629.db2.gz ILOALMOJAXDFMQ-NEPJUHHUSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(NC[C@@H]1CCN1CCN1CCCC1=O)[C@H]1CCS(=O)(=O)N1 ZINC001039023194 668088360 /nfs/dbraw/zinc/08/83/60/668088360.db2.gz ILOALMOJAXDFMQ-NWDGAFQWSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(NC[C@@H]1CCN1CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039023197 668088526 /nfs/dbraw/zinc/08/85/26/668088526.db2.gz ILOALMOJAXDFMQ-RYUDHWBXSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(NC[C@H]1CCN1CCN1CCCC1=O)[C@H]1CCS(=O)(=O)N1 ZINC001039023199 668088483 /nfs/dbraw/zinc/08/84/83/668088483.db2.gz ILOALMOJAXDFMQ-VXGBXAGGSA-N 1 0 344.437 -1.509 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001039024081 673080359 /nfs/dbraw/zinc/08/03/59/673080359.db2.gz QFMKGRNVHMCTQG-CHWSQXEVSA-N 1 0 341.437 -1.155 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039024082 673080310 /nfs/dbraw/zinc/08/03/10/673080310.db2.gz QFMKGRNVHMCTQG-OLZOCXBDSA-N 1 0 341.437 -1.155 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001039024083 673080221 /nfs/dbraw/zinc/08/02/21/673080221.db2.gz QFMKGRNVHMCTQG-QWHCGFSZSA-N 1 0 341.437 -1.155 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039024084 673080570 /nfs/dbraw/zinc/08/05/70/673080570.db2.gz QFMKGRNVHMCTQG-STQMWFEESA-N 1 0 341.437 -1.155 20 0 EAADRO Cn1cncc1CN1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039024415 668090857 /nfs/dbraw/zinc/09/08/57/668090857.db2.gz RUJSVTYOBQXYOC-JQWIXIFHSA-N 1 0 327.410 -1.198 20 0 EAADRO CN(C(=O)CN1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001039025236 668091702 /nfs/dbraw/zinc/09/17/02/668091702.db2.gz WMFFZDLMJSWAQQ-NWDGAFQWSA-N 1 0 344.437 -1.511 20 0 EAADRO CN(C(=O)CN1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001039025237 668091731 /nfs/dbraw/zinc/09/17/31/668091731.db2.gz WMFFZDLMJSWAQQ-RYUDHWBXSA-N 1 0 344.437 -1.511 20 0 EAADRO CN(C(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001039025238 668091985 /nfs/dbraw/zinc/09/19/85/668091985.db2.gz WMFFZDLMJSWAQQ-VXGBXAGGSA-N 1 0 344.437 -1.511 20 0 EAADRO Cn1c(CN2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001039025940 673080253 /nfs/dbraw/zinc/08/02/53/673080253.db2.gz BONBZQXCQUVQJS-CHWSQXEVSA-N 1 0 349.435 -1.274 20 0 EAADRO Cn1c(CN2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001039025945 673080158 /nfs/dbraw/zinc/08/01/58/673080158.db2.gz BONBZQXCQUVQJS-OLZOCXBDSA-N 1 0 349.435 -1.274 20 0 EAADRO Cn1c(CN2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001039025948 673080423 /nfs/dbraw/zinc/08/04/23/673080423.db2.gz BONBZQXCQUVQJS-QWHCGFSZSA-N 1 0 349.435 -1.274 20 0 EAADRO Cn1c(CN2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001039025950 673080803 /nfs/dbraw/zinc/08/08/03/673080803.db2.gz BONBZQXCQUVQJS-STQMWFEESA-N 1 0 349.435 -1.274 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCNC(=O)C2)C1 ZINC001039027297 673080778 /nfs/dbraw/zinc/08/07/78/673080778.db2.gz JLTXWWCWGCJUKM-CHWSQXEVSA-N 1 0 337.424 -1.913 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCNC(=O)C2)C1 ZINC001039027299 673080918 /nfs/dbraw/zinc/08/09/18/673080918.db2.gz JLTXWWCWGCJUKM-OLZOCXBDSA-N 1 0 337.424 -1.913 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCNC(=O)C2)C1 ZINC001039027300 673081080 /nfs/dbraw/zinc/08/10/80/673081080.db2.gz JLTXWWCWGCJUKM-QWHCGFSZSA-N 1 0 337.424 -1.913 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCNC(=O)C2)C1 ZINC001039027301 673081133 /nfs/dbraw/zinc/08/11/33/673081133.db2.gz JLTXWWCWGCJUKM-STQMWFEESA-N 1 0 337.424 -1.913 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@@H]2CCOC2)nn1 ZINC001039043105 673081578 /nfs/dbraw/zinc/08/15/78/673081578.db2.gz CGYCKOOPAGDXBO-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CC[C@H]2CCOC2)nn1 ZINC001039043112 673081434 /nfs/dbraw/zinc/08/14/34/673081434.db2.gz CGYCKOOPAGDXBO-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@H]2CCOC2)nn1 ZINC001039043114 673081402 /nfs/dbraw/zinc/08/14/02/673081402.db2.gz CGYCKOOPAGDXBO-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CC[C@@H]2CCOC2)nn1 ZINC001039043116 673081606 /nfs/dbraw/zinc/08/16/06/673081606.db2.gz CGYCKOOPAGDXBO-VXGBXAGGSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H]2CCCOC2)nn1 ZINC001039044150 673082801 /nfs/dbraw/zinc/08/28/01/673082801.db2.gz VLDDSNVTZLHTTO-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H]2CCCOC2)nn1 ZINC001039044152 673082920 /nfs/dbraw/zinc/08/29/20/673082920.db2.gz VLDDSNVTZLHTTO-NWDGAFQWSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H]2CCCOC2)nn1 ZINC001039044153 673082740 /nfs/dbraw/zinc/08/27/40/673082740.db2.gz VLDDSNVTZLHTTO-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H]2CCCOC2)nn1 ZINC001039044154 673082829 /nfs/dbraw/zinc/08/28/29/673082829.db2.gz VLDDSNVTZLHTTO-VXGBXAGGSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CC2CCOCC2)nn1 ZINC001039052889 673083443 /nfs/dbraw/zinc/08/34/43/673083443.db2.gz QGJFIDVNWIMYMN-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCOCC2)nn1 ZINC001039052890 673083161 /nfs/dbraw/zinc/08/31/61/673083161.db2.gz QGJFIDVNWIMYMN-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n(C)c1=O ZINC001039066606 673083902 /nfs/dbraw/zinc/08/39/02/673083902.db2.gz YFZNSFGPCKLTIZ-CHWSQXEVSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n(C)c1=O ZINC001039066607 673083957 /nfs/dbraw/zinc/08/39/57/673083957.db2.gz YFZNSFGPCKLTIZ-OLZOCXBDSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n(C)c1=O ZINC001039066608 673084036 /nfs/dbraw/zinc/08/40/36/673084036.db2.gz YFZNSFGPCKLTIZ-QWHCGFSZSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n(C)c1=O ZINC001039066609 673083974 /nfs/dbraw/zinc/08/39/74/673083974.db2.gz YFZNSFGPCKLTIZ-STQMWFEESA-N 1 0 348.407 -1.215 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001039103735 673084361 /nfs/dbraw/zinc/08/43/61/673084361.db2.gz NSYUQVZHAFOCFV-CYBMUJFWSA-N 1 0 335.412 -1.020 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001039103736 673084707 /nfs/dbraw/zinc/08/47/07/673084707.db2.gz NSYUQVZHAFOCFV-ZDUSSCGKSA-N 1 0 335.412 -1.020 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001039129496 673084537 /nfs/dbraw/zinc/08/45/37/673084537.db2.gz AQRQKSGJEGHGFE-CYBMUJFWSA-N 1 0 335.412 -1.020 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001039129497 673084277 /nfs/dbraw/zinc/08/42/77/673084277.db2.gz AQRQKSGJEGHGFE-ZDUSSCGKSA-N 1 0 335.412 -1.020 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039150354 668212980 /nfs/dbraw/zinc/21/29/80/668212980.db2.gz JOTOMQNUFWKKSJ-HNNXBMFYSA-N 1 0 338.452 -1.029 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039150358 668213624 /nfs/dbraw/zinc/21/36/24/668213624.db2.gz JOTOMQNUFWKKSJ-OAHLLOKOSA-N 1 0 338.452 -1.029 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001039155223 673084563 /nfs/dbraw/zinc/08/45/63/673084563.db2.gz OYDQFEXZCHYTKN-CHWSQXEVSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001039155224 673084290 /nfs/dbraw/zinc/08/42/90/673084290.db2.gz OYDQFEXZCHYTKN-OLZOCXBDSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001039155225 673084237 /nfs/dbraw/zinc/08/42/37/673084237.db2.gz OYDQFEXZCHYTKN-QWHCGFSZSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001039155226 673084616 /nfs/dbraw/zinc/08/46/16/673084616.db2.gz OYDQFEXZCHYTKN-STQMWFEESA-N 1 0 337.424 -1.026 20 0 EAADRO NC(=O)C(=O)N1CCC([C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001039157996 673084527 /nfs/dbraw/zinc/08/45/27/673084527.db2.gz KSGMMDIRKQDMNV-NEPJUHHUSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)C(=O)N1CCC([C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001039157997 673084347 /nfs/dbraw/zinc/08/43/47/673084347.db2.gz KSGMMDIRKQDMNV-NWDGAFQWSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)C(=O)N1CCC([C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001039157998 673084478 /nfs/dbraw/zinc/08/44/78/673084478.db2.gz KSGMMDIRKQDMNV-RYUDHWBXSA-N 1 0 336.392 -1.163 20 0 EAADRO NC(=O)C(=O)N1CCC([C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001039157999 673084207 /nfs/dbraw/zinc/08/42/07/673084207.db2.gz KSGMMDIRKQDMNV-VXGBXAGGSA-N 1 0 336.392 -1.163 20 0 EAADRO Cn1[nH]c(C[N@@H+]2CC[C@@H](C3CCN(C(=O)C(N)=O)CC3)C2)nc1=O ZINC001039158016 673084623 /nfs/dbraw/zinc/08/46/23/673084623.db2.gz LHKXZQITDXSSQB-LLVKDONJSA-N 1 0 336.396 -1.346 20 0 EAADRO Cn1[nH]c(C[N@@H+]2CC[C@H](C3CCN(C(=O)C(N)=O)CC3)C2)nc1=O ZINC001039158017 673084597 /nfs/dbraw/zinc/08/45/97/673084597.db2.gz LHKXZQITDXSSQB-NSHDSACASA-N 1 0 336.396 -1.346 20 0 EAADRO Cn1nnnc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039259858 673084308 /nfs/dbraw/zinc/08/43/08/673084308.db2.gz AEYZODORZXBETD-YOGCLGLASA-N 1 0 346.399 -1.102 20 0 EAADRO Cn1[nH]c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(=O)CC(N)=O)nc1=O ZINC001039271113 673084678 /nfs/dbraw/zinc/08/46/78/673084678.db2.gz MPDHWEURKKQOSX-FGWVZKOKSA-N 1 0 336.396 -1.015 20 0 EAADRO Cn1nnnc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039281855 673084158 /nfs/dbraw/zinc/08/41/58/673084158.db2.gz YJWZAIBGRYXYRJ-YOGCLGLASA-N 1 0 346.399 -1.102 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001039283213 673084690 /nfs/dbraw/zinc/08/46/90/673084690.db2.gz MGCVYQCMLKVVQB-FGWVZKOKSA-N 1 0 349.395 -1.636 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001039286359 673084700 /nfs/dbraw/zinc/08/47/00/673084700.db2.gz OZUOBCSOQJWFIJ-GYIHNLGQSA-N 1 0 337.380 -1.429 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001039288565 673084329 /nfs/dbraw/zinc/08/43/29/673084329.db2.gz PVIKOTWRQQOARQ-YOGCLGLASA-N 1 0 349.391 -1.064 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCOCC1=O ZINC001039289745 673084428 /nfs/dbraw/zinc/08/44/28/673084428.db2.gz YATQDGQCFLATSZ-YHWZYXNKSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001039289952 673084502 /nfs/dbraw/zinc/08/45/02/673084502.db2.gz NPUDMSYILYQEKL-YHWZYXNKSA-N 1 0 337.424 -1.595 20 0 EAADRO Cn1nnnc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001039292213 673084395 /nfs/dbraw/zinc/08/43/95/673084395.db2.gz HDYKCBPLKDVYKX-FGNRJIRKSA-N 1 0 348.411 -1.107 20 0 EAADRO Cn1nnnc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001039292214 673084405 /nfs/dbraw/zinc/08/44/05/673084405.db2.gz HDYKCBPLKDVYKX-YATPEIPISA-N 1 0 348.411 -1.107 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001039302167 673084371 /nfs/dbraw/zinc/08/43/71/673084371.db2.gz XBIGZGVJOGPCHF-GYIHNLGQSA-N 1 0 337.380 -1.429 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC001039302646 673084578 /nfs/dbraw/zinc/08/45/78/673084578.db2.gz HWMHLMHSNCUELQ-FGWVZKOKSA-N 1 0 337.380 -1.475 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001039311941 673084438 /nfs/dbraw/zinc/08/44/38/673084438.db2.gz WHSGXBGIBBXCHN-FGWVZKOKSA-N 1 0 337.380 -1.475 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001039312164 673084474 /nfs/dbraw/zinc/08/44/74/673084474.db2.gz LVIQMSNUADPFQZ-FGNRJIRKSA-N 1 0 344.437 -1.335 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039312168 673084317 /nfs/dbraw/zinc/08/43/17/673084317.db2.gz LVIQMSNUADPFQZ-YATPEIPISA-N 1 0 344.437 -1.335 20 0 EAADRO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001039313866 673084464 /nfs/dbraw/zinc/08/44/64/673084464.db2.gz UVBFQNRPWZFMMW-FGWVZKOKSA-N 1 0 349.395 -1.636 20 0 EAADRO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1C[N@H+](CCN1CCNC1=O)CC2 ZINC001039330734 673085237 /nfs/dbraw/zinc/08/52/37/673085237.db2.gz IHMDZPHZZYDTQL-OLZOCXBDSA-N 1 0 348.411 -1.236 20 0 EAADRO O=C(Cn1ncnn1)N1[C@@H]2CC[C@H]1C[N@H+](CCN1CCNC1=O)CC2 ZINC001039375774 673084840 /nfs/dbraw/zinc/08/48/40/673084840.db2.gz WNWOOKWQTWXOBB-OLZOCXBDSA-N 1 0 348.411 -1.236 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001039377355 673084870 /nfs/dbraw/zinc/08/48/70/673084870.db2.gz TVZPMELRCMLQKM-TUAOUCFPSA-N 1 0 336.396 -1.177 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001039377356 673085118 /nfs/dbraw/zinc/08/51/18/673085118.db2.gz TVZPMELRCMLQKM-UTUOFQBUSA-N 1 0 336.396 -1.177 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001039474440 673086078 /nfs/dbraw/zinc/08/60/78/673086078.db2.gz IHLOTWGWTIZJLP-TUAOUCFPSA-N 1 0 336.396 -1.177 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001039474441 673086819 /nfs/dbraw/zinc/08/68/19/673086819.db2.gz IHLOTWGWTIZJLP-UTUOFQBUSA-N 1 0 336.396 -1.177 20 0 EAADRO Cn1[nH]c(C[N@H+](CC2CC2)C2CCN(C(=O)C(N)=O)CC2)nc1=O ZINC001039488537 673086867 /nfs/dbraw/zinc/08/68/67/673086867.db2.gz SUXILEMSYGDGQB-UHFFFAOYSA-N 1 0 336.396 -1.203 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039553057 673087766 /nfs/dbraw/zinc/08/77/66/673087766.db2.gz GCZHNTLAJAWXCG-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039553058 673087564 /nfs/dbraw/zinc/08/75/64/673087564.db2.gz GCZHNTLAJAWXCG-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001039553221 673087604 /nfs/dbraw/zinc/08/76/04/673087604.db2.gz KHGMOYKPYRLVMK-NHYWBVRUSA-N 1 0 343.428 -1.537 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001039553222 673087742 /nfs/dbraw/zinc/08/77/42/673087742.db2.gz KHGMOYKPYRLVMK-XHDPSFHLSA-N 1 0 343.428 -1.537 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039553283 668442230 /nfs/dbraw/zinc/44/22/30/668442230.db2.gz LJXOKVYBDQQMMZ-FIXISWKDSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039553284 673087729 /nfs/dbraw/zinc/08/77/29/673087729.db2.gz LJXOKVYBDQQMMZ-RWSFTLGLSA-N 1 0 341.412 -1.783 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001039553367 673088271 /nfs/dbraw/zinc/08/82/71/673088271.db2.gz MWLNZQPJHLTFSO-FIXISWKDSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001039553368 673088169 /nfs/dbraw/zinc/08/81/69/673088169.db2.gz MWLNZQPJHLTFSO-PGUXBMHVSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001039553369 673088159 /nfs/dbraw/zinc/08/81/59/673088159.db2.gz MWLNZQPJHLTFSO-RWSFTLGLSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001039553370 673088068 /nfs/dbraw/zinc/08/80/68/673088068.db2.gz MWLNZQPJHLTFSO-ZIBATOQPSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001039553388 668442844 /nfs/dbraw/zinc/44/28/44/668442844.db2.gz NNAQCUBXWXAJGV-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039553557 673088185 /nfs/dbraw/zinc/08/81/85/673088185.db2.gz RLDNNUIFNWGBOE-HZMBPMFUSA-N 1 0 329.401 -1.926 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039553559 673087966 /nfs/dbraw/zinc/08/79/66/673087966.db2.gz RLDNNUIFNWGBOE-IINYFYTJSA-N 1 0 329.401 -1.926 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001039553768 673088644 /nfs/dbraw/zinc/08/86/44/673088644.db2.gz WLFRRBWXSRQGJU-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001039553769 673088579 /nfs/dbraw/zinc/08/85/79/673088579.db2.gz WLFRRBWXSRQGJU-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001039553792 673088500 /nfs/dbraw/zinc/08/85/00/673088500.db2.gz XGUGKJQTEBZWMQ-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001039553793 673088466 /nfs/dbraw/zinc/08/84/66/673088466.db2.gz XGUGKJQTEBZWMQ-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039553887 673088557 /nfs/dbraw/zinc/08/85/57/673088557.db2.gz YOGHAPAZHAATEI-NHYWBVRUSA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039553888 673088437 /nfs/dbraw/zinc/08/84/37/673088437.db2.gz YOGHAPAZHAATEI-XHDPSFHLSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001039566286 673090388 /nfs/dbraw/zinc/09/03/88/673090388.db2.gz MUJQIEMBJWGOKF-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001039566287 673090234 /nfs/dbraw/zinc/09/02/34/673090234.db2.gz MUJQIEMBJWGOKF-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001039571296 668460885 /nfs/dbraw/zinc/46/08/85/668460885.db2.gz HCZUOLLXIZQWGE-INIZCTEOSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001039571297 668461023 /nfs/dbraw/zinc/46/10/23/668461023.db2.gz HCZUOLLXIZQWGE-MRXNPFEDSA-N 1 0 340.424 -1.504 20 0 EAADRO Cn1oc(C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)cc1=O ZINC001039571822 668462118 /nfs/dbraw/zinc/46/21/18/668462118.db2.gz NTVRGDVDHKDWAK-HNNXBMFYSA-N 1 0 340.380 -1.377 20 0 EAADRO Cn1oc(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)cc1=O ZINC001039571823 668462326 /nfs/dbraw/zinc/46/23/26/668462326.db2.gz NTVRGDVDHKDWAK-OAHLLOKOSA-N 1 0 340.380 -1.377 20 0 EAADRO Cn1nccc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039581556 673092776 /nfs/dbraw/zinc/09/27/76/673092776.db2.gz CTBWOZSCFKLBQH-CXAGYDPISA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039581558 673092882 /nfs/dbraw/zinc/09/28/82/673092882.db2.gz CTBWOZSCFKLBQH-DYVFJYSZSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039581559 673092976 /nfs/dbraw/zinc/09/29/76/673092976.db2.gz CTBWOZSCFKLBQH-GUYCJALGSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039581560 673092840 /nfs/dbraw/zinc/09/28/40/673092840.db2.gz CTBWOZSCFKLBQH-SUMWQHHRSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039584131 673093800 /nfs/dbraw/zinc/09/38/00/673093800.db2.gz GZXINKMGBNYIOE-INIZCTEOSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039584133 673093965 /nfs/dbraw/zinc/09/39/65/673093965.db2.gz GZXINKMGBNYIOE-MRXNPFEDSA-N 1 0 337.424 -1.006 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001039589404 673094594 /nfs/dbraw/zinc/09/45/94/673094594.db2.gz XSDNKSRUKJEQJK-INIZCTEOSA-N 1 0 345.440 -1.195 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001039589406 673094566 /nfs/dbraw/zinc/09/45/66/673094566.db2.gz XSDNKSRUKJEQJK-MRXNPFEDSA-N 1 0 345.440 -1.195 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001039590565 673095036 /nfs/dbraw/zinc/09/50/36/673095036.db2.gz JQPIDVMCVNMBGE-AWEZNQCLSA-N 1 0 333.352 -1.146 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001039590566 673095086 /nfs/dbraw/zinc/09/50/86/673095086.db2.gz JQPIDVMCVNMBGE-CQSZACIVSA-N 1 0 333.352 -1.146 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@](O)(CNC(=O)CCc3ncc[nH]3)C2)n1 ZINC001039590575 673095191 /nfs/dbraw/zinc/09/51/91/673095191.db2.gz JZODURIZACTYQP-HNNXBMFYSA-N 1 0 347.379 -1.136 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)CCc3ncc[nH]3)C2)n1 ZINC001039590577 673095051 /nfs/dbraw/zinc/09/50/51/673095051.db2.gz JZODURIZACTYQP-OAHLLOKOSA-N 1 0 347.379 -1.136 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)CCc3ncc[nH]3)C2)nn1 ZINC001039590705 673095176 /nfs/dbraw/zinc/09/51/76/673095176.db2.gz LXNQPUQCHSIXOG-HNNXBMFYSA-N 1 0 347.379 -1.136 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)CCc3ncc[nH]3)C2)nn1 ZINC001039590706 673095358 /nfs/dbraw/zinc/09/53/58/673095358.db2.gz LXNQPUQCHSIXOG-OAHLLOKOSA-N 1 0 347.379 -1.136 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001039590715 673095283 /nfs/dbraw/zinc/09/52/83/673095283.db2.gz LZUVROJIUIBDSQ-BDJLRTHQSA-N 1 0 349.391 -1.442 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001039590716 673095063 /nfs/dbraw/zinc/09/50/63/673095063.db2.gz LZUVROJIUIBDSQ-BZNIZROVSA-N 1 0 349.391 -1.442 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001039590718 673095106 /nfs/dbraw/zinc/09/51/06/673095106.db2.gz LZUVROJIUIBDSQ-MEDUHNTESA-N 1 0 349.391 -1.442 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001039590719 673095117 /nfs/dbraw/zinc/09/51/17/673095117.db2.gz LZUVROJIUIBDSQ-ZBEGNZNMSA-N 1 0 349.391 -1.442 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001039590798 673095043 /nfs/dbraw/zinc/09/50/43/673095043.db2.gz NGYBNVNBIJENNT-AWEZNQCLSA-N 1 0 348.367 -1.891 20 0 EAADRO O=C(CCc1ncc[nH]1)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001039590799 673095213 /nfs/dbraw/zinc/09/52/13/673095213.db2.gz NGYBNVNBIJENNT-CQSZACIVSA-N 1 0 348.367 -1.891 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@H]2CCC[C@@H](C1)N2CCN1CCNC1=O ZINC001039590820 673095143 /nfs/dbraw/zinc/09/51/43/673095143.db2.gz WCRGXROWWJCZNA-BETUJISGSA-N 1 0 348.411 -1.236 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCO)n1 ZINC001039592294 673095412 /nfs/dbraw/zinc/09/54/12/673095412.db2.gz AUAWFNCSYVNMGE-TXEJJXNPSA-N 1 0 336.396 -1.175 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039600205 668490457 /nfs/dbraw/zinc/49/04/57/668490457.db2.gz ACPOSPXVTPJSOV-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039600206 668490240 /nfs/dbraw/zinc/49/02/40/668490240.db2.gz ACPOSPXVTPJSOV-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039600299 673096813 /nfs/dbraw/zinc/09/68/13/673096813.db2.gz BHCFWLITCSYWSE-ABAIWWIYSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039600300 673096944 /nfs/dbraw/zinc/09/69/44/673096944.db2.gz BHCFWLITCSYWSE-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039600301 673096778 /nfs/dbraw/zinc/09/67/78/673096778.db2.gz BHCFWLITCSYWSE-NHYWBVRUSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039600302 668490789 /nfs/dbraw/zinc/49/07/89/668490789.db2.gz BHCFWLITCSYWSE-XHDPSFHLSA-N 1 0 342.396 -1.484 20 0 EAADRO Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039600599 673097301 /nfs/dbraw/zinc/09/73/01/673097301.db2.gz FFEQXILVELQSQS-ABAIWWIYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039600600 673097377 /nfs/dbraw/zinc/09/73/77/673097377.db2.gz FFEQXILVELQSQS-IAQYHMDHSA-N 1 0 336.396 -1.398 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039600785 673097950 /nfs/dbraw/zinc/09/79/50/673097950.db2.gz GKRNEKABLSXKPH-ABAIWWIYSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039600786 673097817 /nfs/dbraw/zinc/09/78/17/673097817.db2.gz GKRNEKABLSXKPH-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039600787 673097762 /nfs/dbraw/zinc/09/77/62/673097762.db2.gz GKRNEKABLSXKPH-NHYWBVRUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039600788 668490824 /nfs/dbraw/zinc/49/08/24/668490824.db2.gz GKRNEKABLSXKPH-XHDPSFHLSA-N 1 0 342.396 -1.484 20 0 EAADRO Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039601195 673097861 /nfs/dbraw/zinc/09/78/61/673097861.db2.gz IWGMXBMDRUTKST-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039601204 673097923 /nfs/dbraw/zinc/09/79/23/673097923.db2.gz IWGMXBMDRUTKST-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039601206 673097962 /nfs/dbraw/zinc/09/79/62/673097962.db2.gz IWGMXBMDRUTKST-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039601207 673097872 /nfs/dbraw/zinc/09/78/72/673097872.db2.gz IWGMXBMDRUTKST-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1)[NH+](C)C ZINC001039601557 673098195 /nfs/dbraw/zinc/09/81/95/673098195.db2.gz KOHORJDOMREBQK-ABAIWWIYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1)[NH+](C)C ZINC001039601559 673098213 /nfs/dbraw/zinc/09/82/13/673098213.db2.gz KOHORJDOMREBQK-IAQYHMDHSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1)[NH+](C)C ZINC001039601562 673098302 /nfs/dbraw/zinc/09/83/02/673098302.db2.gz KOHORJDOMREBQK-NHYWBVRUSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1)[NH+](C)C ZINC001039601564 673098314 /nfs/dbraw/zinc/09/83/14/673098314.db2.gz KOHORJDOMREBQK-XHDPSFHLSA-N 1 0 338.412 -1.152 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039602642 673098968 /nfs/dbraw/zinc/09/89/68/673098968.db2.gz PPOYBZCUXLXLBD-ABAIWWIYSA-N 1 0 342.396 -1.484 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039602643 673099246 /nfs/dbraw/zinc/09/92/46/673099246.db2.gz PPOYBZCUXLXLBD-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039602644 673099322 /nfs/dbraw/zinc/09/93/22/673099322.db2.gz PPOYBZCUXLXLBD-NHYWBVRUSA-N 1 0 342.396 -1.484 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039602645 673099166 /nfs/dbraw/zinc/09/91/66/673099166.db2.gz PPOYBZCUXLXLBD-XHDPSFHLSA-N 1 0 342.396 -1.484 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039603286 673099449 /nfs/dbraw/zinc/09/94/49/673099449.db2.gz UBMYTAFDVRXTJV-ABAIWWIYSA-N 1 0 342.396 -1.485 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039603290 673099551 /nfs/dbraw/zinc/09/95/51/673099551.db2.gz UBMYTAFDVRXTJV-IAQYHMDHSA-N 1 0 342.396 -1.485 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039603291 673099574 /nfs/dbraw/zinc/09/95/74/673099574.db2.gz UBMYTAFDVRXTJV-NHYWBVRUSA-N 1 0 342.396 -1.485 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039603292 673099425 /nfs/dbraw/zinc/09/94/25/673099425.db2.gz UBMYTAFDVRXTJV-XHDPSFHLSA-N 1 0 342.396 -1.485 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039603601 673099900 /nfs/dbraw/zinc/09/99/00/673099900.db2.gz VTQKEBCNCUPIJY-HZMBPMFUSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039603602 673100122 /nfs/dbraw/zinc/10/01/22/673100122.db2.gz VTQKEBCNCUPIJY-IINYFYTJSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039603603 673100151 /nfs/dbraw/zinc/10/01/51/673100151.db2.gz VTQKEBCNCUPIJY-QMTHXVAHSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039603604 673099988 /nfs/dbraw/zinc/09/99/88/673099988.db2.gz VTQKEBCNCUPIJY-YGRLFVJLSA-N 1 0 328.369 -1.874 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039603765 673100411 /nfs/dbraw/zinc/10/04/11/673100411.db2.gz WGLBILZSNLSKFE-ABAIWWIYSA-N 1 0 340.380 -1.730 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039603766 673100512 /nfs/dbraw/zinc/10/05/12/673100512.db2.gz WGLBILZSNLSKFE-IAQYHMDHSA-N 1 0 340.380 -1.730 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039603767 673100381 /nfs/dbraw/zinc/10/03/81/673100381.db2.gz WGLBILZSNLSKFE-NHYWBVRUSA-N 1 0 340.380 -1.730 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039603768 673100521 /nfs/dbraw/zinc/10/05/21/673100521.db2.gz WGLBILZSNLSKFE-XHDPSFHLSA-N 1 0 340.380 -1.730 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039604335 673100866 /nfs/dbraw/zinc/10/08/66/673100866.db2.gz ZEBSIQZEKZTKGE-ABAIWWIYSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001039604337 673100965 /nfs/dbraw/zinc/10/09/65/673100965.db2.gz ZEBSIQZEKZTKGE-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039604339 673100979 /nfs/dbraw/zinc/10/09/79/673100979.db2.gz ZEBSIQZEKZTKGE-NHYWBVRUSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001039604341 673100904 /nfs/dbraw/zinc/10/09/04/673100904.db2.gz ZEBSIQZEKZTKGE-XHDPSFHLSA-N 1 0 342.396 -1.484 20 0 EAADRO Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039604369 673100858 /nfs/dbraw/zinc/10/08/58/673100858.db2.gz ZJSLBCAFOWMXGZ-HNNXBMFYSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039604371 673100880 /nfs/dbraw/zinc/10/08/80/673100880.db2.gz ZJSLBCAFOWMXGZ-OAHLLOKOSA-N 1 0 336.396 -1.396 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039609096 673101653 /nfs/dbraw/zinc/10/16/53/673101653.db2.gz GQXDWZQZMVQSDO-HNNXBMFYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039609098 668495044 /nfs/dbraw/zinc/49/50/44/668495044.db2.gz GQXDWZQZMVQSDO-OAHLLOKOSA-N 1 0 338.412 -1.152 20 0 EAADRO Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039609449 673101603 /nfs/dbraw/zinc/10/16/03/673101603.db2.gz KKQYDMZPMFBTFO-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039609450 673101561 /nfs/dbraw/zinc/10/15/61/673101561.db2.gz KKQYDMZPMFBTFO-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039609487 668495334 /nfs/dbraw/zinc/49/53/34/668495334.db2.gz LGDDNEDWOHMDEG-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039609488 668495218 /nfs/dbraw/zinc/49/52/18/668495218.db2.gz LGDDNEDWOHMDEG-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039609949 673102404 /nfs/dbraw/zinc/10/24/04/673102404.db2.gz UITOMLGLOZGKDQ-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039609950 673102468 /nfs/dbraw/zinc/10/24/68/673102468.db2.gz UITOMLGLOZGKDQ-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039610063 673102440 /nfs/dbraw/zinc/10/24/40/673102440.db2.gz WRQQRTCKBMNWNT-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001039610064 673102334 /nfs/dbraw/zinc/10/23/34/673102334.db2.gz WRQQRTCKBMNWNT-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001039613265 673103213 /nfs/dbraw/zinc/10/32/13/673103213.db2.gz MBQYPCFVJDNGRW-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001039613266 673103024 /nfs/dbraw/zinc/10/30/24/673103024.db2.gz MBQYPCFVJDNGRW-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039613436 673103219 /nfs/dbraw/zinc/10/32/19/673103219.db2.gz OCSLJUORISQNNV-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039613438 673103046 /nfs/dbraw/zinc/10/30/46/673103046.db2.gz OCSLJUORISQNNV-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039613519 668496717 /nfs/dbraw/zinc/49/67/17/668496717.db2.gz OYFQEJIVMNEFQP-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039613520 668496929 /nfs/dbraw/zinc/49/69/29/668496929.db2.gz OYFQEJIVMNEFQP-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039613801 673103665 /nfs/dbraw/zinc/10/36/65/673103665.db2.gz TWKODGMIKOJZMF-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039613802 673103450 /nfs/dbraw/zinc/10/34/50/673103450.db2.gz TWKODGMIKOJZMF-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001039616053 673103913 /nfs/dbraw/zinc/10/39/13/673103913.db2.gz HWIHCZHSWDBXTQ-HNNXBMFYSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001039616054 673104013 /nfs/dbraw/zinc/10/40/13/673104013.db2.gz HWIHCZHSWDBXTQ-OAHLLOKOSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001039616233 673104262 /nfs/dbraw/zinc/10/42/62/673104262.db2.gz MXEVBSMPZDTZHX-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001039616234 673104318 /nfs/dbraw/zinc/10/43/18/673104318.db2.gz MXEVBSMPZDTZHX-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001039616503 673104892 /nfs/dbraw/zinc/10/48/92/673104892.db2.gz RTYWUTWZQNDJQZ-DOMZBBRYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001039616504 673104775 /nfs/dbraw/zinc/10/47/75/673104775.db2.gz RTYWUTWZQNDJQZ-IUODEOHRSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001039616505 673104842 /nfs/dbraw/zinc/10/48/42/673104842.db2.gz RTYWUTWZQNDJQZ-SWLSCSKDSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001039616506 673104757 /nfs/dbraw/zinc/10/47/57/673104757.db2.gz RTYWUTWZQNDJQZ-WFASDCNBSA-N 1 0 336.396 -1.398 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001039616523 673104870 /nfs/dbraw/zinc/10/48/70/673104870.db2.gz SCNGMWANLNQSSS-DOMZBBRYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001039616524 673104915 /nfs/dbraw/zinc/10/49/15/673104915.db2.gz SCNGMWANLNQSSS-IUODEOHRSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001039616525 673104852 /nfs/dbraw/zinc/10/48/52/673104852.db2.gz SCNGMWANLNQSSS-SWLSCSKDSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001039616526 673104780 /nfs/dbraw/zinc/10/47/80/673104780.db2.gz SCNGMWANLNQSSS-WFASDCNBSA-N 1 0 338.412 -1.152 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039616636 673104792 /nfs/dbraw/zinc/10/47/92/673104792.db2.gz UWMMXTRPFMKPQP-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039616638 673104857 /nfs/dbraw/zinc/10/48/57/673104857.db2.gz UWMMXTRPFMKPQP-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039616640 673104798 /nfs/dbraw/zinc/10/47/98/673104798.db2.gz UWMMXTRPFMKPQP-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039616641 673105131 /nfs/dbraw/zinc/10/51/31/673105131.db2.gz UWMMXTRPFMKPQP-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039619174 673105516 /nfs/dbraw/zinc/10/55/16/673105516.db2.gz BWQHPWNSZWZPQM-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039619175 673105540 /nfs/dbraw/zinc/10/55/40/673105540.db2.gz BWQHPWNSZWZPQM-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001039619446 673106439 /nfs/dbraw/zinc/10/64/39/673106439.db2.gz JKJNLTWOUVJADU-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001039619447 673106490 /nfs/dbraw/zinc/10/64/90/673106490.db2.gz JKJNLTWOUVJADU-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039619582 668511325 /nfs/dbraw/zinc/51/13/25/668511325.db2.gz LYIPENDLUYPSFA-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039619583 668511621 /nfs/dbraw/zinc/51/16/21/668511621.db2.gz LYIPENDLUYPSFA-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001039619614 673106379 /nfs/dbraw/zinc/10/63/79/673106379.db2.gz MUQQQAZVGLFGDJ-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001039619615 668511631 /nfs/dbraw/zinc/51/16/31/668511631.db2.gz MUQQQAZVGLFGDJ-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001039619796 673106753 /nfs/dbraw/zinc/10/67/53/673106753.db2.gz QPVIACOHSXEEMZ-ABAIWWIYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001039619797 673107010 /nfs/dbraw/zinc/10/70/10/673107010.db2.gz QPVIACOHSXEEMZ-IAQYHMDHSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001039619798 673106864 /nfs/dbraw/zinc/10/68/64/673106864.db2.gz QPVIACOHSXEEMZ-NHYWBVRUSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001039619799 673107065 /nfs/dbraw/zinc/10/70/65/673107065.db2.gz QPVIACOHSXEEMZ-XHDPSFHLSA-N 1 0 336.396 -1.398 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039619804 673106996 /nfs/dbraw/zinc/10/69/96/673106996.db2.gz QULHYUKWVDHDAD-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039619805 673106723 /nfs/dbraw/zinc/10/67/23/673106723.db2.gz QULHYUKWVDHDAD-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039619900 673107301 /nfs/dbraw/zinc/10/73/01/673107301.db2.gz TWQYVYABOSRERU-HNNXBMFYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001039619901 673107120 /nfs/dbraw/zinc/10/71/20/673107120.db2.gz TWQYVYABOSRERU-OAHLLOKOSA-N 1 0 338.412 -1.152 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001039620036 668511401 /nfs/dbraw/zinc/51/14/01/668511401.db2.gz WNEJXZNMBBVCKV-HNNXBMFYSA-N 1 0 339.396 -1.048 20 0 EAADRO Cc1nnc(CC(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001039620037 668511533 /nfs/dbraw/zinc/51/15/33/668511533.db2.gz WNEJXZNMBBVCKV-OAHLLOKOSA-N 1 0 339.396 -1.048 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001039620196 673107629 /nfs/dbraw/zinc/10/76/29/673107629.db2.gz ZXHJTNQSZLZVGF-ABAIWWIYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001039620197 673107638 /nfs/dbraw/zinc/10/76/38/673107638.db2.gz ZXHJTNQSZLZVGF-IAQYHMDHSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001039620198 673107719 /nfs/dbraw/zinc/10/77/19/673107719.db2.gz ZXHJTNQSZLZVGF-NHYWBVRUSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001039620199 673107650 /nfs/dbraw/zinc/10/76/50/673107650.db2.gz ZXHJTNQSZLZVGF-XHDPSFHLSA-N 1 0 338.412 -1.152 20 0 EAADRO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(C(=O)COCC[NH+](C)C)C1 ZINC001039628053 673108132 /nfs/dbraw/zinc/10/81/32/673108132.db2.gz XNJKDBAWLOQWFH-GDBMZVCRSA-N 1 0 345.440 -1.339 20 0 EAADRO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(C(=O)COCC[NH+](C)C)C1 ZINC001039628054 673108003 /nfs/dbraw/zinc/10/80/03/673108003.db2.gz XNJKDBAWLOQWFH-ZBFHGGJFSA-N 1 0 345.440 -1.339 20 0 EAADRO CCn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001039628869 673108521 /nfs/dbraw/zinc/10/85/21/673108521.db2.gz OMEGEQYPSZOXPN-HNNXBMFYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001039628870 673108602 /nfs/dbraw/zinc/10/86/02/673108602.db2.gz OMEGEQYPSZOXPN-OAHLLOKOSA-N 1 0 338.412 -1.057 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039630783 673108525 /nfs/dbraw/zinc/10/85/25/673108525.db2.gz BCIUCNSLCMHCLU-HNNXBMFYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001039630785 673108439 /nfs/dbraw/zinc/10/84/39/673108439.db2.gz BCIUCNSLCMHCLU-OAHLLOKOSA-N 1 0 338.412 -1.152 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039631769 673108896 /nfs/dbraw/zinc/10/88/96/673108896.db2.gz JTSYGZXYANNACK-HNNXBMFYSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039631773 673108987 /nfs/dbraw/zinc/10/89/87/673108987.db2.gz JTSYGZXYANNACK-OAHLLOKOSA-N 1 0 343.428 -1.663 20 0 EAADRO Cn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001039632857 668519594 /nfs/dbraw/zinc/51/95/94/668519594.db2.gz OZIDHVNICPDQEC-HNNXBMFYSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001039632858 668519528 /nfs/dbraw/zinc/51/95/28/668519528.db2.gz OZIDHVNICPDQEC-OAHLLOKOSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039633407 673109379 /nfs/dbraw/zinc/10/93/79/673109379.db2.gz SZQFZDBEMWNNGY-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039633408 673109567 /nfs/dbraw/zinc/10/95/67/673109567.db2.gz SZQFZDBEMWNNGY-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039633410 673109594 /nfs/dbraw/zinc/10/95/94/673109594.db2.gz SZQFZDBEMWNNGY-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039633411 673109326 /nfs/dbraw/zinc/10/93/26/673109326.db2.gz SZQFZDBEMWNNGY-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO CCn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039643586 668537028 /nfs/dbraw/zinc/53/70/28/668537028.db2.gz XIVPMMBLWUOMTO-HNNXBMFYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039643587 668536873 /nfs/dbraw/zinc/53/68/73/668536873.db2.gz XIVPMMBLWUOMTO-OAHLLOKOSA-N 1 0 338.412 -1.057 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001039660433 673111472 /nfs/dbraw/zinc/11/14/72/673111472.db2.gz WKOMCYRGLZYMTP-HNNXBMFYSA-N 1 0 339.396 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001039660434 673111446 /nfs/dbraw/zinc/11/14/46/673111446.db2.gz WKOMCYRGLZYMTP-OAHLLOKOSA-N 1 0 339.396 -1.319 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001039695220 673116936 /nfs/dbraw/zinc/11/69/36/673116936.db2.gz UWUYBUGSKSPYPL-HNNXBMFYSA-N 1 0 338.412 -1.313 20 0 EAADRO Cc1nnc(CC(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001039695223 673117003 /nfs/dbraw/zinc/11/70/03/673117003.db2.gz UWUYBUGSKSPYPL-OAHLLOKOSA-N 1 0 338.412 -1.313 20 0 EAADRO Cn1ccc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039696598 673117327 /nfs/dbraw/zinc/11/73/27/673117327.db2.gz CEBLXZKCMFZDSQ-CXAGYDPISA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039696599 673117194 /nfs/dbraw/zinc/11/71/94/673117194.db2.gz CEBLXZKCMFZDSQ-DYVFJYSZSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039696600 673117168 /nfs/dbraw/zinc/11/71/68/673117168.db2.gz CEBLXZKCMFZDSQ-GUYCJALGSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039696601 673117156 /nfs/dbraw/zinc/11/71/56/673117156.db2.gz CEBLXZKCMFZDSQ-SUMWQHHRSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001039697299 673117517 /nfs/dbraw/zinc/11/75/17/673117517.db2.gz JWLYKJRKJJWNLV-INIZCTEOSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001039697301 673117488 /nfs/dbraw/zinc/11/74/88/673117488.db2.gz JWLYKJRKJJWNLV-MRXNPFEDSA-N 1 0 337.424 -1.006 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039698426 673118255 /nfs/dbraw/zinc/11/82/55/673118255.db2.gz WYVAQPARYWHKMO-ABAIWWIYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039698427 673118396 /nfs/dbraw/zinc/11/83/96/673118396.db2.gz WYVAQPARYWHKMO-IAQYHMDHSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039698428 673118380 /nfs/dbraw/zinc/11/83/80/673118380.db2.gz WYVAQPARYWHKMO-NHYWBVRUSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039698429 673118291 /nfs/dbraw/zinc/11/82/91/673118291.db2.gz WYVAQPARYWHKMO-XHDPSFHLSA-N 1 0 341.412 -1.781 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001039701475 668589766 /nfs/dbraw/zinc/58/97/66/668589766.db2.gz ASQBBFDSIJIRIR-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001039701476 668589443 /nfs/dbraw/zinc/58/94/43/668589443.db2.gz ASQBBFDSIJIRIR-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039701563 673118784 /nfs/dbraw/zinc/11/87/84/673118784.db2.gz CTKNZSCVCPJQKB-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039701564 673118849 /nfs/dbraw/zinc/11/88/49/673118849.db2.gz CTKNZSCVCPJQKB-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039701985 673119148 /nfs/dbraw/zinc/11/91/48/673119148.db2.gz MUVMIKUJVDZYHD-HNNXBMFYSA-N 1 0 343.428 -1.535 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039701986 673119353 /nfs/dbraw/zinc/11/93/53/673119353.db2.gz MUVMIKUJVDZYHD-OAHLLOKOSA-N 1 0 343.428 -1.535 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CCNC(N)=O)C2)C1 ZINC001039701991 673119267 /nfs/dbraw/zinc/11/92/67/673119267.db2.gz NEESWTACHITLCB-ABAIWWIYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CCNC(N)=O)C2)C1 ZINC001039701992 673119202 /nfs/dbraw/zinc/11/92/02/673119202.db2.gz NEESWTACHITLCB-IAQYHMDHSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)CCNC(N)=O)C2)C1 ZINC001039701993 673119337 /nfs/dbraw/zinc/11/93/37/673119337.db2.gz NEESWTACHITLCB-NHYWBVRUSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CCNC(N)=O)C2)C1 ZINC001039701994 673119164 /nfs/dbraw/zinc/11/91/64/673119164.db2.gz NEESWTACHITLCB-XHDPSFHLSA-N 1 0 341.412 -1.924 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702071 673119651 /nfs/dbraw/zinc/11/96/51/673119651.db2.gz OSKRJPPVNYJNPK-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702072 673119724 /nfs/dbraw/zinc/11/97/24/673119724.db2.gz OSKRJPPVNYJNPK-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702161 668591464 /nfs/dbraw/zinc/59/14/64/668591464.db2.gz QWALFZTYMGYTLO-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702162 668591350 /nfs/dbraw/zinc/59/13/50/668591350.db2.gz QWALFZTYMGYTLO-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702313 668592650 /nfs/dbraw/zinc/59/26/50/668592650.db2.gz ULTHSIZASYSDRU-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702314 668592534 /nfs/dbraw/zinc/59/25/34/668592534.db2.gz ULTHSIZASYSDRU-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702425 673120003 /nfs/dbraw/zinc/12/00/03/673120003.db2.gz WRJBVYWRJJRPRO-AWEZNQCLSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001039702426 673120034 /nfs/dbraw/zinc/12/00/34/673120034.db2.gz WRJBVYWRJJRPRO-CQSZACIVSA-N 1 0 329.401 -1.924 20 0 EAADRO NC(=O)NCCC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039702561 668591997 /nfs/dbraw/zinc/59/19/97/668591997.db2.gz ZUKKNXQCDLQCLX-HNNXBMFYSA-N 1 0 341.412 -1.780 20 0 EAADRO NC(=O)NCCC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039702562 668591830 /nfs/dbraw/zinc/59/18/30/668591830.db2.gz ZUKKNXQCDLQCLX-OAHLLOKOSA-N 1 0 341.412 -1.780 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@@H]2CCNC2=O)c1=O ZINC001039707314 673120440 /nfs/dbraw/zinc/12/04/40/673120440.db2.gz NMCDPVVFUCKFOC-FRRDWIJNSA-N 1 0 348.407 -1.464 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@H]2CCNC2=O)c1=O ZINC001039707315 673120513 /nfs/dbraw/zinc/12/05/13/673120513.db2.gz NMCDPVVFUCKFOC-XQQFMLRXSA-N 1 0 348.407 -1.464 20 0 EAADRO C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001039713391 673120961 /nfs/dbraw/zinc/12/09/61/673120961.db2.gz JVLHFKOBRBJGFF-BLLLJJGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001039713392 673120816 /nfs/dbraw/zinc/12/08/16/673120816.db2.gz JVLHFKOBRBJGFF-LRDDRELGSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001039713393 673120955 /nfs/dbraw/zinc/12/09/55/673120955.db2.gz JVLHFKOBRBJGFF-MLGOLLRUSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001039713394 673120883 /nfs/dbraw/zinc/12/08/83/673120883.db2.gz JVLHFKOBRBJGFF-WBMJQRKESA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039713627 673120904 /nfs/dbraw/zinc/12/09/04/673120904.db2.gz OJQJAKXWUWFPRL-BLLLJJGKSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039713628 673120842 /nfs/dbraw/zinc/12/08/42/673120842.db2.gz OJQJAKXWUWFPRL-LRDDRELGSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039713629 673120863 /nfs/dbraw/zinc/12/08/63/673120863.db2.gz OJQJAKXWUWFPRL-MLGOLLRUSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039713630 673120852 /nfs/dbraw/zinc/12/08/52/673120852.db2.gz OJQJAKXWUWFPRL-WBMJQRKESA-N 1 0 340.424 -1.186 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001039715327 673121520 /nfs/dbraw/zinc/12/15/20/673121520.db2.gz NBZPTUQHNBBEIB-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001039715328 673121401 /nfs/dbraw/zinc/12/14/01/673121401.db2.gz NBZPTUQHNBBEIB-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001039715483 668618837 /nfs/dbraw/zinc/61/88/37/668618837.db2.gz QNSGHFLHGLFFCA-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001039715484 668618814 /nfs/dbraw/zinc/61/88/14/668618814.db2.gz QNSGHFLHGLFFCA-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001039724803 668632513 /nfs/dbraw/zinc/63/25/13/668632513.db2.gz BLSYAUGISUVNQS-BBRMVZONSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001039724804 668632469 /nfs/dbraw/zinc/63/24/69/668632469.db2.gz BLSYAUGISUVNQS-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001039724805 668632485 /nfs/dbraw/zinc/63/24/85/668632485.db2.gz BLSYAUGISUVNQS-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001039724806 668632382 /nfs/dbraw/zinc/63/23/82/668632382.db2.gz BLSYAUGISUVNQS-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001039725797 673123014 /nfs/dbraw/zinc/12/30/14/673123014.db2.gz KYQLTUHHDIIPRM-BLLLJJGKSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001039725798 673122964 /nfs/dbraw/zinc/12/29/64/673122964.db2.gz KYQLTUHHDIIPRM-LRDDRELGSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001039725799 673123076 /nfs/dbraw/zinc/12/30/76/673123076.db2.gz KYQLTUHHDIIPRM-MLGOLLRUSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001039725800 673123092 /nfs/dbraw/zinc/12/30/92/673123092.db2.gz KYQLTUHHDIIPRM-WBMJQRKESA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039725807 673122825 /nfs/dbraw/zinc/12/28/25/673122825.db2.gz 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/nfs/dbraw/zinc/12/70/97/673127097.db2.gz ICAVRXNSXYDWDY-ABAIWWIYSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039756619 673127285 /nfs/dbraw/zinc/12/72/85/673127285.db2.gz ICAVRXNSXYDWDY-IAQYHMDHSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039756620 673127118 /nfs/dbraw/zinc/12/71/18/673127118.db2.gz ICAVRXNSXYDWDY-NHYWBVRUSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039756621 668654904 /nfs/dbraw/zinc/65/49/04/668654904.db2.gz ICAVRXNSXYDWDY-XHDPSFHLSA-N 1 0 342.396 -1.626 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039756764 673127109 /nfs/dbraw/zinc/12/71/09/673127109.db2.gz IUXJHOPQQYPMBV-DOMZBBRYSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039756765 673127289 /nfs/dbraw/zinc/12/72/89/673127289.db2.gz IUXJHOPQQYPMBV-IUODEOHRSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039756766 673127023 /nfs/dbraw/zinc/12/70/23/673127023.db2.gz IUXJHOPQQYPMBV-SWLSCSKDSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039756767 668654814 /nfs/dbraw/zinc/65/48/14/668654814.db2.gz IUXJHOPQQYPMBV-WFASDCNBSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039757106 673127307 /nfs/dbraw/zinc/12/73/07/673127307.db2.gz MUDDBSXMIPOAEL-ABAIWWIYSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039757107 673127127 /nfs/dbraw/zinc/12/71/27/673127127.db2.gz MUDDBSXMIPOAEL-IAQYHMDHSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039757108 673127263 /nfs/dbraw/zinc/12/72/63/673127263.db2.gz MUDDBSXMIPOAEL-NHYWBVRUSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039757109 673127020 /nfs/dbraw/zinc/12/70/20/673127020.db2.gz MUDDBSXMIPOAEL-XHDPSFHLSA-N 1 0 326.397 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001039757268 673127245 /nfs/dbraw/zinc/12/72/45/673127245.db2.gz OMHVHPRRLRTVHP-BLLLJJGKSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001039757269 673126961 /nfs/dbraw/zinc/12/69/61/673126961.db2.gz OMHVHPRRLRTVHP-LRDDRELGSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001039757270 673127145 /nfs/dbraw/zinc/12/71/45/673127145.db2.gz OMHVHPRRLRTVHP-MLGOLLRUSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001039757271 673126975 /nfs/dbraw/zinc/12/69/75/673126975.db2.gz OMHVHPRRLRTVHP-WBMJQRKESA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001039757472 673127042 /nfs/dbraw/zinc/12/70/42/673127042.db2.gz RUYOYHGNQNCSBD-BXUZGUMPSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001039757473 673127345 /nfs/dbraw/zinc/12/73/45/673127345.db2.gz RUYOYHGNQNCSBD-FZMZJTMJSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001039757475 673127277 /nfs/dbraw/zinc/12/72/77/673127277.db2.gz RUYOYHGNQNCSBD-RISCZKNCSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001039757476 673127328 /nfs/dbraw/zinc/12/73/28/673127328.db2.gz RUYOYHGNQNCSBD-SMDDNHRTSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C3=COCCO3)C2)C1 ZINC001039757512 668654909 /nfs/dbraw/zinc/65/49/09/668654909.db2.gz SEUZMFDSPUIGSY-BLLLJJGKSA-N 1 0 339.392 -1.094 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3=COCCO3)C2)C1 ZINC001039757514 668655286 /nfs/dbraw/zinc/65/52/86/668655286.db2.gz SEUZMFDSPUIGSY-LRDDRELGSA-N 1 0 339.392 -1.094 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C3=COCCO3)C2)C1 ZINC001039757515 673127233 /nfs/dbraw/zinc/12/72/33/673127233.db2.gz SEUZMFDSPUIGSY-MLGOLLRUSA-N 1 0 339.392 -1.094 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3=COCCO3)C2)C1 ZINC001039757516 673127336 /nfs/dbraw/zinc/12/73/36/673127336.db2.gz SEUZMFDSPUIGSY-WBMJQRKESA-N 1 0 339.392 -1.094 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001039757816 673127000 /nfs/dbraw/zinc/12/70/00/673127000.db2.gz VLUBOQAPANYPFN-HZMBPMFUSA-N 1 0 327.385 -2.314 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001039757817 668655326 /nfs/dbraw/zinc/65/53/26/668655326.db2.gz VLUBOQAPANYPFN-IINYFYTJSA-N 1 0 327.385 -2.314 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001039757818 668655149 /nfs/dbraw/zinc/65/51/49/668655149.db2.gz VLUBOQAPANYPFN-QMTHXVAHSA-N 1 0 327.385 -2.314 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001039757819 668655333 /nfs/dbraw/zinc/65/53/33/668655333.db2.gz VLUBOQAPANYPFN-YGRLFVJLSA-N 1 0 327.385 -2.314 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cccn3)C2)C1 ZINC001039757820 673126987 /nfs/dbraw/zinc/12/69/87/673126987.db2.gz VMLQATXMXWNKJE-BBRMVZONSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cccn3)C2)C1 ZINC001039757821 673127056 /nfs/dbraw/zinc/12/70/56/673127056.db2.gz VMLQATXMXWNKJE-CJNGLKHVSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cccn3)C2)C1 ZINC001039757822 673126954 /nfs/dbraw/zinc/12/69/54/673126954.db2.gz VMLQATXMXWNKJE-CZUORRHYSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cccn3)C2)C1 ZINC001039757823 673127351 /nfs/dbraw/zinc/12/73/51/673127351.db2.gz VMLQATXMXWNKJE-XJKSGUPXSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001039758062 673127813 /nfs/dbraw/zinc/12/78/13/673127813.db2.gz YCTKZWWPVNQMMN-BXUZGUMPSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001039758063 673127721 /nfs/dbraw/zinc/12/77/21/673127721.db2.gz YCTKZWWPVNQMMN-FZMZJTMJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001039758064 673127800 /nfs/dbraw/zinc/12/78/00/673127800.db2.gz YCTKZWWPVNQMMN-RISCZKNCSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001039758065 673127556 /nfs/dbraw/zinc/12/75/56/673127556.db2.gz YCTKZWWPVNQMMN-SMDDNHRTSA-N 1 0 337.384 -2.296 20 0 EAADRO Cn1cc(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001039758100 673127850 /nfs/dbraw/zinc/12/78/50/673127850.db2.gz YPXBITFDAQVJRM-PBHICJAKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001039758101 673127785 /nfs/dbraw/zinc/12/77/85/673127785.db2.gz YPXBITFDAQVJRM-RHSMWYFYSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001039758102 673127754 /nfs/dbraw/zinc/12/77/54/673127754.db2.gz YPXBITFDAQVJRM-WMLDXEAASA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2CC[C@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001039758103 673127547 /nfs/dbraw/zinc/12/75/47/673127547.db2.gz YPXBITFDAQVJRM-YOEHRIQHSA-N 1 0 349.435 -1.006 20 0 EAADRO COCCOCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039758114 673127782 /nfs/dbraw/zinc/12/77/82/673127782.db2.gz YRKMMDVCGZCOMU-BBRMVZONSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039758118 673127483 /nfs/dbraw/zinc/12/74/83/673127483.db2.gz YRKMMDVCGZCOMU-CJNGLKHVSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039758120 673127661 /nfs/dbraw/zinc/12/76/61/673127661.db2.gz YRKMMDVCGZCOMU-CZUORRHYSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039758122 673127807 /nfs/dbraw/zinc/12/78/07/673127807.db2.gz YRKMMDVCGZCOMU-XJKSGUPXSA-N 1 0 343.424 -1.319 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039758284 673127653 /nfs/dbraw/zinc/12/76/53/673127653.db2.gz ZYVHLSHHSPCHJN-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039758285 673127794 /nfs/dbraw/zinc/12/77/94/673127794.db2.gz ZYVHLSHHSPCHJN-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039758286 673127773 /nfs/dbraw/zinc/12/77/73/673127773.db2.gz ZYVHLSHHSPCHJN-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039758287 673127764 /nfs/dbraw/zinc/12/77/64/673127764.db2.gz ZYVHLSHHSPCHJN-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3nccn3)C2)C1 ZINC001039759883 673127621 /nfs/dbraw/zinc/12/76/21/673127621.db2.gz COUOEHPIWKLDQP-DOMZBBRYSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3nccn3)C2)C1 ZINC001039759884 673127737 /nfs/dbraw/zinc/12/77/37/673127737.db2.gz COUOEHPIWKLDQP-IUODEOHRSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3nccn3)C2)C1 ZINC001039759885 673127566 /nfs/dbraw/zinc/12/75/66/673127566.db2.gz COUOEHPIWKLDQP-SWLSCSKDSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3nccn3)C2)C1 ZINC001039759886 673127713 /nfs/dbraw/zinc/12/77/13/673127713.db2.gz COUOEHPIWKLDQP-WFASDCNBSA-N 1 0 336.396 -1.691 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039759909 673127664 /nfs/dbraw/zinc/12/76/64/673127664.db2.gz CVRZITNHTYRKED-CXAGYDPISA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039759910 673127595 /nfs/dbraw/zinc/12/75/95/673127595.db2.gz CVRZITNHTYRKED-DYVFJYSZSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039759911 673127768 /nfs/dbraw/zinc/12/77/68/673127768.db2.gz CVRZITNHTYRKED-GUYCJALGSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039759912 673127700 /nfs/dbraw/zinc/12/77/00/673127700.db2.gz CVRZITNHTYRKED-SUMWQHHRSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039759917 673127675 /nfs/dbraw/zinc/12/76/75/673127675.db2.gz CWKSZVHWXNESTQ-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039759918 673127598 /nfs/dbraw/zinc/12/75/98/673127598.db2.gz CWKSZVHWXNESTQ-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039759919 673127706 /nfs/dbraw/zinc/12/77/06/673127706.db2.gz CWKSZVHWXNESTQ-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001039759920 673127514 /nfs/dbraw/zinc/12/75/14/673127514.db2.gz CWKSZVHWXNESTQ-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001039759943 673127792 /nfs/dbraw/zinc/12/77/92/673127792.db2.gz DCZOVHZHXOMMLE-ABAIWWIYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001039759944 673127666 /nfs/dbraw/zinc/12/76/66/673127666.db2.gz DCZOVHZHXOMMLE-IAQYHMDHSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001039759945 673127681 /nfs/dbraw/zinc/12/76/81/673127681.db2.gz DCZOVHZHXOMMLE-NHYWBVRUSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001039759946 673127865 /nfs/dbraw/zinc/12/78/65/673127865.db2.gz DCZOVHZHXOMMLE-XHDPSFHLSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cncn3)C2)C1 ZINC001039759977 673127496 /nfs/dbraw/zinc/12/74/96/673127496.db2.gz FDAZDOXREDGETI-DOMZBBRYSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cncn3)C2)C1 ZINC001039759978 673127602 /nfs/dbraw/zinc/12/76/02/673127602.db2.gz FDAZDOXREDGETI-IUODEOHRSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cncn3)C2)C1 ZINC001039759979 673127829 /nfs/dbraw/zinc/12/78/29/673127829.db2.gz FDAZDOXREDGETI-SWLSCSKDSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cncn3)C2)C1 ZINC001039759980 673127824 /nfs/dbraw/zinc/12/78/24/673127824.db2.gz FDAZDOXREDGETI-WFASDCNBSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001039760029 673127589 /nfs/dbraw/zinc/12/75/89/673127589.db2.gz GHLGHBNIEMWDPO-ABAIWWIYSA-N 1 0 338.408 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001039760030 673127745 /nfs/dbraw/zinc/12/77/45/673127745.db2.gz GHLGHBNIEMWDPO-IAQYHMDHSA-N 1 0 338.408 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001039760031 673127804 /nfs/dbraw/zinc/12/78/04/673127804.db2.gz GHLGHBNIEMWDPO-NHYWBVRUSA-N 1 0 338.408 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001039760032 673127537 /nfs/dbraw/zinc/12/75/37/673127537.db2.gz GHLGHBNIEMWDPO-XHDPSFHLSA-N 1 0 338.408 -1.717 20 0 EAADRO Cn1cncc1CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760067 673127788 /nfs/dbraw/zinc/12/77/88/673127788.db2.gz GZKSWZTXOOYTQC-CXAGYDPISA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760068 673127816 /nfs/dbraw/zinc/12/78/16/673127816.db2.gz GZKSWZTXOOYTQC-DYVFJYSZSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760069 673127833 /nfs/dbraw/zinc/12/78/33/673127833.db2.gz GZKSWZTXOOYTQC-GUYCJALGSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760070 673127629 /nfs/dbraw/zinc/12/76/29/673127629.db2.gz GZKSWZTXOOYTQC-SUMWQHHRSA-N 1 0 349.435 -1.006 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001039760123 673127777 /nfs/dbraw/zinc/12/77/77/673127777.db2.gz HXLTUUDDNMVVRK-BDJLRTHQSA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001039760124 673127859 /nfs/dbraw/zinc/12/78/59/673127859.db2.gz HXLTUUDDNMVVRK-BZNIZROVSA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001039760125 673128391 /nfs/dbraw/zinc/12/83/91/673128391.db2.gz HXLTUUDDNMVVRK-MEDUHNTESA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001039760126 673128437 /nfs/dbraw/zinc/12/84/37/673128437.db2.gz HXLTUUDDNMVVRK-ZBEGNZNMSA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001039760133 673128105 /nfs/dbraw/zinc/12/81/05/673128105.db2.gz HYCXPWSRFJVXKB-CNUKPYSBSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001039760134 673128122 /nfs/dbraw/zinc/12/81/22/673128122.db2.gz HYCXPWSRFJVXKB-NLIDSEJHSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001039760135 673128280 /nfs/dbraw/zinc/12/82/80/673128280.db2.gz HYCXPWSRFJVXKB-QDEPRCCBSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001039760136 673128243 /nfs/dbraw/zinc/12/82/43/673128243.db2.gz HYCXPWSRFJVXKB-REVBEMBVSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001039760215 673128162 /nfs/dbraw/zinc/12/81/62/673128162.db2.gz JPDQTMQVYYATQD-BLLLJJGKSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001039760216 673128337 /nfs/dbraw/zinc/12/83/37/673128337.db2.gz JPDQTMQVYYATQD-LRDDRELGSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001039760217 673128291 /nfs/dbraw/zinc/12/82/91/673128291.db2.gz JPDQTMQVYYATQD-MLGOLLRUSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001039760218 673128178 /nfs/dbraw/zinc/12/81/78/673128178.db2.gz JPDQTMQVYYATQD-WBMJQRKESA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001039760307 673128419 /nfs/dbraw/zinc/12/84/19/673128419.db2.gz KNXMWLMIVGKDSJ-BDJLRTHQSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001039760308 673128157 /nfs/dbraw/zinc/12/81/57/673128157.db2.gz KNXMWLMIVGKDSJ-BZNIZROVSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001039760309 673128085 /nfs/dbraw/zinc/12/80/85/673128085.db2.gz KNXMWLMIVGKDSJ-MEDUHNTESA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001039760310 673128210 /nfs/dbraw/zinc/12/82/10/673128210.db2.gz KNXMWLMIVGKDSJ-ZBEGNZNMSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001039760419 673128359 /nfs/dbraw/zinc/12/83/59/673128359.db2.gz MLYGAFDAAVAQRT-BDJLRTHQSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001039760420 673128264 /nfs/dbraw/zinc/12/82/64/673128264.db2.gz MLYGAFDAAVAQRT-BZNIZROVSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001039760421 673128148 /nfs/dbraw/zinc/12/81/48/673128148.db2.gz MLYGAFDAAVAQRT-MEDUHNTESA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001039760422 673128110 /nfs/dbraw/zinc/12/81/10/673128110.db2.gz MLYGAFDAAVAQRT-ZBEGNZNMSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001039760589 673128140 /nfs/dbraw/zinc/12/81/40/673128140.db2.gz PTGYAIPRMPOARI-BBRMVZONSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001039760590 673128377 /nfs/dbraw/zinc/12/83/77/673128377.db2.gz PTGYAIPRMPOARI-CJNGLKHVSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001039760591 673128113 /nfs/dbraw/zinc/12/81/13/673128113.db2.gz PTGYAIPRMPOARI-CZUORRHYSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001039760592 673128216 /nfs/dbraw/zinc/12/82/16/673128216.db2.gz PTGYAIPRMPOARI-XJKSGUPXSA-N 1 0 335.408 -1.086 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760613 673128198 /nfs/dbraw/zinc/12/81/98/673128198.db2.gz QABIGZDCAFMPCR-ABAIWWIYSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760614 673128251 /nfs/dbraw/zinc/12/82/51/673128251.db2.gz QABIGZDCAFMPCR-IAQYHMDHSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760615 673128372 /nfs/dbraw/zinc/12/83/72/673128372.db2.gz QABIGZDCAFMPCR-NHYWBVRUSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760616 673128430 /nfs/dbraw/zinc/12/84/30/673128430.db2.gz QABIGZDCAFMPCR-XHDPSFHLSA-N 1 0 341.412 -2.053 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CCCC(N)=O)C2)C1 ZINC001039760619 673128450 /nfs/dbraw/zinc/12/84/50/673128450.db2.gz QCPKJOWITMSXNO-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCCC(N)=O)C2)C1 ZINC001039760620 673128313 /nfs/dbraw/zinc/12/83/13/673128313.db2.gz 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C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001039760812 673128833 /nfs/dbraw/zinc/12/88/33/673128833.db2.gz UEYMGKMKAZJZKP-XHDPSFHLSA-N 1 0 336.396 -1.622 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760825 673129033 /nfs/dbraw/zinc/12/90/33/673129033.db2.gz UKLGGKYQPFPRHQ-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760826 673128648 /nfs/dbraw/zinc/12/86/48/673128648.db2.gz UKLGGKYQPFPRHQ-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760827 673128824 /nfs/dbraw/zinc/12/88/24/673128824.db2.gz UKLGGKYQPFPRHQ-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760828 673128694 /nfs/dbraw/zinc/12/86/94/673128694.db2.gz UKLGGKYQPFPRHQ-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039760835 673129045 /nfs/dbraw/zinc/12/90/45/673129045.db2.gz URHOEQVTWVWSOE-HZMBPMFUSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039760836 673128725 /nfs/dbraw/zinc/12/87/25/673128725.db2.gz URHOEQVTWVWSOE-IINYFYTJSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039760837 673128932 /nfs/dbraw/zinc/12/89/32/673128932.db2.gz URHOEQVTWVWSOE-QMTHXVAHSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039760838 673128775 /nfs/dbraw/zinc/12/87/75/673128775.db2.gz URHOEQVTWVWSOE-YGRLFVJLSA-N 1 0 337.384 -2.145 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039760839 673128627 /nfs/dbraw/zinc/12/86/27/673128627.db2.gz UROUDJHCRGUALO-ABAIWWIYSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039760840 673128870 /nfs/dbraw/zinc/12/88/70/673128870.db2.gz UROUDJHCRGUALO-IAQYHMDHSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760841 673129059 /nfs/dbraw/zinc/12/90/59/673129059.db2.gz UROUDJHCRGUALO-NHYWBVRUSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760842 673128641 /nfs/dbraw/zinc/12/86/41/673128641.db2.gz UROUDJHCRGUALO-XHDPSFHLSA-N 1 0 336.396 -1.242 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001039760941 673128906 /nfs/dbraw/zinc/12/89/06/673128906.db2.gz WIJOKLKSAUXFBD-BDJLRTHQSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001039760942 673128732 /nfs/dbraw/zinc/12/87/32/673128732.db2.gz WIJOKLKSAUXFBD-BZNIZROVSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001039760943 673128708 /nfs/dbraw/zinc/12/87/08/673128708.db2.gz WIJOKLKSAUXFBD-MEDUHNTESA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001039760944 673128949 /nfs/dbraw/zinc/12/89/49/673128949.db2.gz WIJOKLKSAUXFBD-ZBEGNZNMSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001039761069 673129051 /nfs/dbraw/zinc/12/90/51/673129051.db2.gz YILICZNPOQOVEQ-BXUZGUMPSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001039761070 673128688 /nfs/dbraw/zinc/12/86/88/673128688.db2.gz YILICZNPOQOVEQ-FZMZJTMJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001039761071 673128746 /nfs/dbraw/zinc/12/87/46/673128746.db2.gz YILICZNPOQOVEQ-RISCZKNCSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001039761072 673128664 /nfs/dbraw/zinc/12/86/64/673128664.db2.gz YILICZNPOQOVEQ-SMDDNHRTSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001039761077 673128751 /nfs/dbraw/zinc/12/87/51/673128751.db2.gz YKKPRBYNXAQERP-BLLLJJGKSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001039761078 673129010 /nfs/dbraw/zinc/12/90/10/673129010.db2.gz YKKPRBYNXAQERP-LRDDRELGSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001039761079 673128764 /nfs/dbraw/zinc/12/87/64/673128764.db2.gz YKKPRBYNXAQERP-MLGOLLRUSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001039761080 673128965 /nfs/dbraw/zinc/12/89/65/673128965.db2.gz YKKPRBYNXAQERP-WBMJQRKESA-N 1 0 335.408 -1.017 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761127 673129330 /nfs/dbraw/zinc/12/93/30/673129330.db2.gz ZHOTYHRKPWZRHK-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761128 673129388 /nfs/dbraw/zinc/12/93/88/673129388.db2.gz ZHOTYHRKPWZRHK-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761129 673129384 /nfs/dbraw/zinc/12/93/84/673129384.db2.gz ZHOTYHRKPWZRHK-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761130 673129407 /nfs/dbraw/zinc/12/94/07/673129407.db2.gz ZHOTYHRKPWZRHK-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039761169 673129300 /nfs/dbraw/zinc/12/93/00/673129300.db2.gz ZSSJYCZAVPKHOV-BLLLJJGKSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039761170 673129417 /nfs/dbraw/zinc/12/94/17/673129417.db2.gz ZSSJYCZAVPKHOV-LRDDRELGSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039761171 673129316 /nfs/dbraw/zinc/12/93/16/673129316.db2.gz ZSSJYCZAVPKHOV-MLGOLLRUSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039761172 668655853 /nfs/dbraw/zinc/65/58/53/668655853.db2.gz ZSSJYCZAVPKHOV-WBMJQRKESA-N 1 0 340.424 -1.504 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761193 673129268 /nfs/dbraw/zinc/12/92/68/673129268.db2.gz ZVFQGLLRQPISGG-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761194 673129252 /nfs/dbraw/zinc/12/92/52/673129252.db2.gz ZVFQGLLRQPISGG-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761195 673129340 /nfs/dbraw/zinc/12/93/40/673129340.db2.gz ZVFQGLLRQPISGG-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001039761196 673129435 /nfs/dbraw/zinc/12/94/35/673129435.db2.gz ZVFQGLLRQPISGG-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763350 673129424 /nfs/dbraw/zinc/12/94/24/673129424.db2.gz ALPWIWQIALXMRP-HNNXBMFYSA-N 1 0 326.397 -1.702 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763351 673129238 /nfs/dbraw/zinc/12/92/38/673129238.db2.gz ALPWIWQIALXMRP-OAHLLOKOSA-N 1 0 326.397 -1.702 20 0 EAADRO COCCOCC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763396 673129411 /nfs/dbraw/zinc/12/94/11/673129411.db2.gz BGXDXDPDZSVWHV-INIZCTEOSA-N 1 0 343.424 -1.175 20 0 EAADRO COCCOCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763397 673129351 /nfs/dbraw/zinc/12/93/51/673129351.db2.gz BGXDXDPDZSVWHV-MRXNPFEDSA-N 1 0 343.424 -1.175 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001039763410 673129394 /nfs/dbraw/zinc/12/93/94/673129394.db2.gz BMQLESOHSYOCPD-ABAIWWIYSA-N 1 0 340.380 -1.730 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001039763411 673129222 /nfs/dbraw/zinc/12/92/22/673129222.db2.gz BMQLESOHSYOCPD-IAQYHMDHSA-N 1 0 340.380 -1.730 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001039763412 673129400 /nfs/dbraw/zinc/12/94/00/673129400.db2.gz BMQLESOHSYOCPD-NHYWBVRUSA-N 1 0 340.380 -1.730 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001039763413 673129216 /nfs/dbraw/zinc/12/92/16/673129216.db2.gz BMQLESOHSYOCPD-XHDPSFHLSA-N 1 0 340.380 -1.730 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001039763428 673129448 /nfs/dbraw/zinc/12/94/48/673129448.db2.gz BSFRUYGIOVJCRV-BBRMVZONSA-N 1 0 341.408 -1.423 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001039763429 668655134 /nfs/dbraw/zinc/65/51/34/668655134.db2.gz BSFRUYGIOVJCRV-CJNGLKHVSA-N 1 0 341.408 -1.423 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001039763430 668655318 /nfs/dbraw/zinc/65/53/18/668655318.db2.gz BSFRUYGIOVJCRV-CZUORRHYSA-N 1 0 341.408 -1.423 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001039763431 668655204 /nfs/dbraw/zinc/65/52/04/668655204.db2.gz BSFRUYGIOVJCRV-XJKSGUPXSA-N 1 0 341.408 -1.423 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763496 673129261 /nfs/dbraw/zinc/12/92/61/673129261.db2.gz DAOYRXZBMDENHM-HNNXBMFYSA-N 1 0 326.397 -1.702 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763497 673129367 /nfs/dbraw/zinc/12/93/67/673129367.db2.gz DAOYRXZBMDENHM-OAHLLOKOSA-N 1 0 326.397 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001039763532 673129380 /nfs/dbraw/zinc/12/93/80/673129380.db2.gz FAOCLFUYZHWPHR-AWEZNQCLSA-N 1 0 337.384 -2.152 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001039763533 673129431 /nfs/dbraw/zinc/12/94/31/673129431.db2.gz FAOCLFUYZHWPHR-CQSZACIVSA-N 1 0 337.384 -2.152 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001039763876 673129880 /nfs/dbraw/zinc/12/98/80/673129880.db2.gz MGHXPBDCVDOLJU-HNNXBMFYSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001039763877 673129696 /nfs/dbraw/zinc/12/96/96/673129696.db2.gz MGHXPBDCVDOLJU-OAHLLOKOSA-N 1 0 336.396 -1.396 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763882 673129891 /nfs/dbraw/zinc/12/98/91/673129891.db2.gz MHPIAGKKBQDBPW-AWEZNQCLSA-N 1 0 327.385 -2.170 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763883 673129676 /nfs/dbraw/zinc/12/96/76/673129676.db2.gz MHPIAGKKBQDBPW-CQSZACIVSA-N 1 0 327.385 -2.170 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001039763920 673129885 /nfs/dbraw/zinc/12/98/85/673129885.db2.gz NFAODTMOBRZOGO-INIZCTEOSA-N 1 0 349.391 -1.029 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001039763921 673129734 /nfs/dbraw/zinc/12/97/34/673129734.db2.gz NFAODTMOBRZOGO-MRXNPFEDSA-N 1 0 349.391 -1.029 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763964 673129649 /nfs/dbraw/zinc/12/96/49/673129649.db2.gz OOIUBJVTZCHEIL-AWEZNQCLSA-N 1 0 347.437 -1.794 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763965 673129748 /nfs/dbraw/zinc/12/97/48/673129748.db2.gz OOIUBJVTZCHEIL-CQSZACIVSA-N 1 0 347.437 -1.794 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001039763968 673129795 /nfs/dbraw/zinc/12/97/95/673129795.db2.gz ORNXULINBFGQMQ-MLGOLLRUSA-N 1 0 338.408 -1.560 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001039763969 673129717 /nfs/dbraw/zinc/12/97/17/673129717.db2.gz ORNXULINBFGQMQ-WBMJQRKESA-N 1 0 338.408 -1.560 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764014 673129843 /nfs/dbraw/zinc/12/98/43/673129843.db2.gz PUIXFUSHINCEMU-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764015 668655651 /nfs/dbraw/zinc/65/56/51/668655651.db2.gz PUIXFUSHINCEMU-MRXNPFEDSA-N 1 0 340.424 -1.312 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764016 668655755 /nfs/dbraw/zinc/65/57/55/668655755.db2.gz PVFYZUWGWVOLCW-NHYWBVRUSA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764017 673129782 /nfs/dbraw/zinc/12/97/82/673129782.db2.gz PVFYZUWGWVOLCW-XHDPSFHLSA-N 1 0 341.412 -1.781 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764098 673129658 /nfs/dbraw/zinc/12/96/58/673129658.db2.gz REJTWIHHDXIEJF-HNNXBMFYSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764099 673129789 /nfs/dbraw/zinc/12/97/89/673129789.db2.gz REJTWIHHDXIEJF-OAHLLOKOSA-N 1 0 336.396 -1.396 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764282 668655631 /nfs/dbraw/zinc/65/56/31/668655631.db2.gz VVEILANTKUSANC-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764283 668655596 /nfs/dbraw/zinc/65/55/96/668655596.db2.gz VVEILANTKUSANC-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764284 668655741 /nfs/dbraw/zinc/65/57/41/668655741.db2.gz VVEILANTKUSANC-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764285 668655692 /nfs/dbraw/zinc/65/56/92/668655692.db2.gz VVEILANTKUSANC-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764294 673129684 /nfs/dbraw/zinc/12/96/84/673129684.db2.gz WCNYFEZMBYGDFJ-HNNXBMFYSA-N 1 0 342.396 -1.482 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764295 673130151 /nfs/dbraw/zinc/13/01/51/673130151.db2.gz WCNYFEZMBYGDFJ-OAHLLOKOSA-N 1 0 342.396 -1.482 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764324 673130258 /nfs/dbraw/zinc/13/02/58/673130258.db2.gz WUYGYRKRYBSFOT-INIZCTEOSA-N 1 0 340.424 -1.360 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764325 668655826 /nfs/dbraw/zinc/65/58/26/668655826.db2.gz WUYGYRKRYBSFOT-MRXNPFEDSA-N 1 0 340.424 -1.360 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764368 673130058 /nfs/dbraw/zinc/13/00/58/673130058.db2.gz XMWORAVDNLNSIA-INIZCTEOSA-N 1 0 348.407 -1.152 20 0 EAADRO Nc1nccnc1C(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764369 673130277 /nfs/dbraw/zinc/13/02/77/673130277.db2.gz XMWORAVDNLNSIA-MRXNPFEDSA-N 1 0 348.407 -1.152 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764434 668655749 /nfs/dbraw/zinc/65/57/49/668655749.db2.gz YSOFDKBXPUWERB-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039764435 668655786 /nfs/dbraw/zinc/65/57/86/668655786.db2.gz YSOFDKBXPUWERB-MRXNPFEDSA-N 1 0 340.424 -1.312 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001039764488 668655628 /nfs/dbraw/zinc/65/56/28/668655628.db2.gz ZSXGCYKQAMQSRA-HNNXBMFYSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001039764489 668655557 /nfs/dbraw/zinc/65/55/57/668655557.db2.gz ZSXGCYKQAMQSRA-OAHLLOKOSA-N 1 0 336.396 -1.396 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039769199 673130244 /nfs/dbraw/zinc/13/02/44/673130244.db2.gz HGNRBOUKMLPBGX-ABAIWWIYSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039769200 673130017 /nfs/dbraw/zinc/13/00/17/673130017.db2.gz HGNRBOUKMLPBGX-IAQYHMDHSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039769201 673130201 /nfs/dbraw/zinc/13/02/01/673130201.db2.gz HGNRBOUKMLPBGX-NHYWBVRUSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001039769202 673130289 /nfs/dbraw/zinc/13/02/89/673130289.db2.gz HGNRBOUKMLPBGX-XHDPSFHLSA-N 1 0 342.396 -2.480 20 0 EAADRO COCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001039769351 673130263 /nfs/dbraw/zinc/13/02/63/673130263.db2.gz KMQZCAOXTVBZPD-BBRMVZONSA-N 1 0 343.424 -1.319 20 0 EAADRO COCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001039769352 673130163 /nfs/dbraw/zinc/13/01/63/673130163.db2.gz KMQZCAOXTVBZPD-CJNGLKHVSA-N 1 0 343.424 -1.319 20 0 EAADRO COCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001039769353 673130224 /nfs/dbraw/zinc/13/02/24/673130224.db2.gz KMQZCAOXTVBZPD-CZUORRHYSA-N 1 0 343.424 -1.319 20 0 EAADRO COCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001039769354 673130085 /nfs/dbraw/zinc/13/00/85/673130085.db2.gz KMQZCAOXTVBZPD-XJKSGUPXSA-N 1 0 343.424 -1.319 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001039783801 668660517 /nfs/dbraw/zinc/66/05/17/668660517.db2.gz ARMNDMIFOHZCJJ-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001039783805 668660548 /nfs/dbraw/zinc/66/05/48/668660548.db2.gz ARMNDMIFOHZCJJ-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001039784082 673131849 /nfs/dbraw/zinc/13/18/49/673131849.db2.gz AXTWNTFPKRAODQ-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001039784083 673131652 /nfs/dbraw/zinc/13/16/52/673131652.db2.gz AXTWNTFPKRAODQ-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)NC)C1 ZINC001039784098 673131892 /nfs/dbraw/zinc/13/18/92/673131892.db2.gz BDLWRYYQNLODAI-HNNXBMFYSA-N 1 0 343.428 -1.663 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)NC)C1 ZINC001039784099 673131778 /nfs/dbraw/zinc/13/17/78/673131778.db2.gz BDLWRYYQNLODAI-OAHLLOKOSA-N 1 0 343.428 -1.663 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001039784323 673131684 /nfs/dbraw/zinc/13/16/84/673131684.db2.gz CVLSZGLXTLULBV-BLLLJJGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001039784326 673131946 /nfs/dbraw/zinc/13/19/46/673131946.db2.gz CVLSZGLXTLULBV-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001039784329 668661137 /nfs/dbraw/zinc/66/11/37/668661137.db2.gz CVLSZGLXTLULBV-MLGOLLRUSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001039784333 668661074 /nfs/dbraw/zinc/66/10/74/668661074.db2.gz CVLSZGLXTLULBV-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001039784348 673131872 /nfs/dbraw/zinc/13/18/72/673131872.db2.gz CYMNZUWFLUQTOH-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001039784350 673131754 /nfs/dbraw/zinc/13/17/54/673131754.db2.gz CYMNZUWFLUQTOH-WQGACYEGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1 ZINC001039784479 673131915 /nfs/dbraw/zinc/13/19/15/673131915.db2.gz DCZUZFMFXGEJTO-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1 ZINC001039784483 673131931 /nfs/dbraw/zinc/13/19/31/673131931.db2.gz DCZUZFMFXGEJTO-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001039784662 668660907 /nfs/dbraw/zinc/66/09/07/668660907.db2.gz FCZGJCYIFBBNJG-AWEZNQCLSA-N 1 0 329.401 -1.924 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001039784663 668660983 /nfs/dbraw/zinc/66/09/83/668660983.db2.gz FCZGJCYIFBBNJG-CQSZACIVSA-N 1 0 329.401 -1.924 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001039784973 673131675 /nfs/dbraw/zinc/13/16/75/673131675.db2.gz GSJDJNNRCKKTON-BBRMVZONSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001039784974 673131912 /nfs/dbraw/zinc/13/19/12/673131912.db2.gz GSJDJNNRCKKTON-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001039784975 673131859 /nfs/dbraw/zinc/13/18/59/673131859.db2.gz GSJDJNNRCKKTON-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001039784977 673131801 /nfs/dbraw/zinc/13/18/01/673131801.db2.gz GSJDJNNRCKKTON-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001039784983 673131900 /nfs/dbraw/zinc/13/19/00/673131900.db2.gz GYYVTQYKDOWJFI-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001039784985 673131839 /nfs/dbraw/zinc/13/18/39/673131839.db2.gz GYYVTQYKDOWJFI-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001039784987 673131922 /nfs/dbraw/zinc/13/19/22/673131922.db2.gz GYYVTQYKDOWJFI-MLGOLLRUSA-N 1 0 340.424 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/nfs/dbraw/zinc/66/31/13/668663113.db2.gz JTFSKWVCASJPFJ-HNNXBMFYSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1 ZINC001039785618 668663281 /nfs/dbraw/zinc/66/32/81/668663281.db2.gz JTFSKWVCASJPFJ-OAHLLOKOSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001039785643 673132281 /nfs/dbraw/zinc/13/22/81/673132281.db2.gz KJHRUOAXCSVISX-ABAIWWIYSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001039785644 673132224 /nfs/dbraw/zinc/13/22/24/673132224.db2.gz KJHRUOAXCSVISX-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001039785645 673132348 /nfs/dbraw/zinc/13/23/48/673132348.db2.gz KJHRUOAXCSVISX-NHYWBVRUSA-N 1 0 342.396 -1.484 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001039785646 673132153 /nfs/dbraw/zinc/13/21/53/673132153.db2.gz KJHRUOAXCSVISX-XHDPSFHLSA-N 1 0 342.396 -1.484 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001039785817 673132311 /nfs/dbraw/zinc/13/23/11/673132311.db2.gz LZOLSYITTRKFDW-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001039785818 673132318 /nfs/dbraw/zinc/13/23/18/673132318.db2.gz LZOLSYITTRKFDW-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)OC)C1 ZINC001039785825 673132208 /nfs/dbraw/zinc/13/22/08/673132208.db2.gz MDTLDBMNRPVIEF-HNNXBMFYSA-N 1 0 344.412 -1.236 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)OC)C1 ZINC001039785826 673132326 /nfs/dbraw/zinc/13/23/26/673132326.db2.gz MDTLDBMNRPVIEF-OAHLLOKOSA-N 1 0 344.412 -1.236 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 ZINC001039785857 673132300 /nfs/dbraw/zinc/13/23/00/673132300.db2.gz MSOUNLRVBNGPQE-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 ZINC001039785858 673132130 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CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001039786979 668667554 /nfs/dbraw/zinc/66/75/54/668667554.db2.gz ZQRYGNDYPNNIKL-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001039786980 668667618 /nfs/dbraw/zinc/66/76/18/668667618.db2.gz ZQRYGNDYPNNIKL-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001039787173 673132900 /nfs/dbraw/zinc/13/29/00/673132900.db2.gz KMPOBAGBPWZYFA-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001039787174 673133105 /nfs/dbraw/zinc/13/31/05/673133105.db2.gz KMPOBAGBPWZYFA-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)c2nnn(C)n2)C1 ZINC001039787374 673132929 /nfs/dbraw/zinc/13/29/29/673132929.db2.gz LVLRPLQFNJFXFN-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)c2nnn(C)n2)C1 ZINC001039787375 673133227 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EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001039787743 673132943 /nfs/dbraw/zinc/13/29/43/673132943.db2.gz PERYTJZFMYEYHE-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001039788025 673133148 /nfs/dbraw/zinc/13/31/48/673133148.db2.gz SLDOYXAIZQFHGQ-BLLLJJGKSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001039788026 668667817 /nfs/dbraw/zinc/66/78/17/668667817.db2.gz SLDOYXAIZQFHGQ-LRDDRELGSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001039788027 668667910 /nfs/dbraw/zinc/66/79/10/668667910.db2.gz SLDOYXAIZQFHGQ-MLGOLLRUSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001039788028 668668039 /nfs/dbraw/zinc/66/80/39/668668039.db2.gz SLDOYXAIZQFHGQ-WBMJQRKESA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001039788110 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CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001039788361 673133250 /nfs/dbraw/zinc/13/32/50/673133250.db2.gz YZCSVDKCMDWSNK-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001039788362 673133201 /nfs/dbraw/zinc/13/32/01/673133201.db2.gz YZCSVDKCMDWSNK-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO CC(C)(C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001039791787 673133037 /nfs/dbraw/zinc/13/30/37/673133037.db2.gz KFYALQOTHJYBMR-INIZCTEOSA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)(C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001039791788 673133242 /nfs/dbraw/zinc/13/32/42/673133242.db2.gz KFYALQOTHJYBMR-MRXNPFEDSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001039797364 673133652 /nfs/dbraw/zinc/13/36/52/673133652.db2.gz BYXQITTVQOYVBN-BXUZGUMPSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001039797366 673133620 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348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001039797680 673133821 /nfs/dbraw/zinc/13/38/21/673133821.db2.gz HBMGWYYNECPTQM-LRDDRELGSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001039797681 673133969 /nfs/dbraw/zinc/13/39/69/673133969.db2.gz HBMGWYYNECPTQM-MLGOLLRUSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001039797682 673133939 /nfs/dbraw/zinc/13/39/39/673133939.db2.gz HBMGWYYNECPTQM-WBMJQRKESA-N 1 0 348.407 -1.160 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039798234 668669980 /nfs/dbraw/zinc/66/99/80/668669980.db2.gz MRWBQSOQIAMZMR-AWEZNQCLSA-N 1 0 339.400 -1.907 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039798237 668670047 /nfs/dbraw/zinc/67/00/47/668670047.db2.gz MRWBQSOQIAMZMR-CQSZACIVSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001039798342 673134320 /nfs/dbraw/zinc/13/43/20/673134320.db2.gz OBICTIXTNPKNDP-BXUZGUMPSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001039798344 673134115 /nfs/dbraw/zinc/13/41/15/673134115.db2.gz OBICTIXTNPKNDP-FZMZJTMJSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001039798347 673134168 /nfs/dbraw/zinc/13/41/68/673134168.db2.gz OBICTIXTNPKNDP-RISCZKNCSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001039798349 673134184 /nfs/dbraw/zinc/13/41/84/673134184.db2.gz OBICTIXTNPKNDP-SMDDNHRTSA-N 1 0 339.400 -1.907 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001039798671 673134216 /nfs/dbraw/zinc/13/42/16/673134216.db2.gz QLYUTHGREUFHGV-BLLLJJGKSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001039798672 673134235 /nfs/dbraw/zinc/13/42/35/673134235.db2.gz QLYUTHGREUFHGV-LRDDRELGSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001039798673 673134343 /nfs/dbraw/zinc/13/43/43/673134343.db2.gz QLYUTHGREUFHGV-MLGOLLRUSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001039798674 673134163 /nfs/dbraw/zinc/13/41/63/673134163.db2.gz QLYUTHGREUFHGV-WBMJQRKESA-N 1 0 348.407 -1.160 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001039798759 673134324 /nfs/dbraw/zinc/13/43/24/673134324.db2.gz RDTSRJGWEVLFJU-BLLLJJGKSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001039798763 673134572 /nfs/dbraw/zinc/13/45/72/673134572.db2.gz RDTSRJGWEVLFJU-LRDDRELGSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001039798765 673134509 /nfs/dbraw/zinc/13/45/09/673134509.db2.gz RDTSRJGWEVLFJU-MLGOLLRUSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001039798768 673134688 /nfs/dbraw/zinc/13/46/88/673134688.db2.gz RDTSRJGWEVLFJU-WBMJQRKESA-N 1 0 338.408 -1.717 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039799231 673134577 /nfs/dbraw/zinc/13/45/77/673134577.db2.gz WWQKJIPRMZUBLZ-AWEZNQCLSA-N 1 0 337.384 -2.152 20 0 EAADRO O=C(Cn1ncnn1)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039799232 673134484 /nfs/dbraw/zinc/13/44/84/673134484.db2.gz WWQKJIPRMZUBLZ-CQSZACIVSA-N 1 0 337.384 -2.152 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039799900 673135284 /nfs/dbraw/zinc/13/52/84/673135284.db2.gz FFFPFQAKGJZHGH-FZMZJTMJSA-N 1 0 337.384 -2.153 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039799901 673135397 /nfs/dbraw/zinc/13/53/97/673135397.db2.gz FFFPFQAKGJZHGH-SMDDNHRTSA-N 1 0 337.384 -2.153 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039800102 673135679 /nfs/dbraw/zinc/13/56/79/673135679.db2.gz GXXALQLBODGKSR-CYBMUJFWSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039800103 673135871 /nfs/dbraw/zinc/13/58/71/673135871.db2.gz GXXALQLBODGKSR-ZDUSSCGKSA-N 1 0 325.373 -2.296 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039801106 668672411 /nfs/dbraw/zinc/67/24/11/668672411.db2.gz NBBRUEQRFGUQEG-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039801107 668672460 /nfs/dbraw/zinc/67/24/60/668672460.db2.gz NBBRUEQRFGUQEG-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039801116 668672471 /nfs/dbraw/zinc/67/24/71/668672471.db2.gz NPRSMAIZWJZMPG-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039801117 668672313 /nfs/dbraw/zinc/67/23/13/668672313.db2.gz NPRSMAIZWJZMPG-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039801962 673137261 /nfs/dbraw/zinc/13/72/61/673137261.db2.gz VOBXSWIRCASUOF-HNNXBMFYSA-N 1 0 349.395 -2.152 20 0 EAADRO O=C(Cn1ncnn1)NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039801963 673137287 /nfs/dbraw/zinc/13/72/87/673137287.db2.gz VOBXSWIRCASUOF-OAHLLOKOSA-N 1 0 349.395 -2.152 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039802312 668672801 /nfs/dbraw/zinc/67/28/01/668672801.db2.gz XNIRSOBVSFQMFZ-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001039802313 668672707 /nfs/dbraw/zinc/67/27/07/668672707.db2.gz XNIRSOBVSFQMFZ-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001039809623 673138071 /nfs/dbraw/zinc/13/80/71/673138071.db2.gz ZPNRNPGTDPLECQ-AWEZNQCLSA-N 1 0 347.437 -1.938 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001039809624 673138069 /nfs/dbraw/zinc/13/80/69/673138069.db2.gz ZPNRNPGTDPLECQ-CQSZACIVSA-N 1 0 347.437 -1.938 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001039824589 673138760 /nfs/dbraw/zinc/13/87/60/673138760.db2.gz BEELTROVIKHACB-DOMZBBRYSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001039824590 673138721 /nfs/dbraw/zinc/13/87/21/673138721.db2.gz BEELTROVIKHACB-IUODEOHRSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001039824591 673138686 /nfs/dbraw/zinc/13/86/86/673138686.db2.gz BEELTROVIKHACB-SWLSCSKDSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001039824592 673138815 /nfs/dbraw/zinc/13/88/15/673138815.db2.gz BEELTROVIKHACB-WFASDCNBSA-N 1 0 338.412 -1.302 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001039824753 673138827 /nfs/dbraw/zinc/13/88/27/673138827.db2.gz CHVKPGOZOPOATK-DOMZBBRYSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001039824754 673138745 /nfs/dbraw/zinc/13/87/45/673138745.db2.gz CHVKPGOZOPOATK-IUODEOHRSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001039824755 673138824 /nfs/dbraw/zinc/13/88/24/673138824.db2.gz CHVKPGOZOPOATK-SWLSCSKDSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001039824756 673138858 /nfs/dbraw/zinc/13/88/58/673138858.db2.gz CHVKPGOZOPOATK-WFASDCNBSA-N 1 0 336.396 -1.691 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039824783 673138804 /nfs/dbraw/zinc/13/88/04/673138804.db2.gz DBAYWJSFUVXWRL-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039824784 673138779 /nfs/dbraw/zinc/13/87/79/673138779.db2.gz DBAYWJSFUVXWRL-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825035 673139099 /nfs/dbraw/zinc/13/90/99/673139099.db2.gz GROYZBAJYCCHIS-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825036 668683016 /nfs/dbraw/zinc/68/30/16/668683016.db2.gz GROYZBAJYCCHIS-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825173 673139634 /nfs/dbraw/zinc/13/96/34/673139634.db2.gz IANNASSDOGMMIS-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825174 673139542 /nfs/dbraw/zinc/13/95/42/673139542.db2.gz IANNASSDOGMMIS-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(Cn1nccn1)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039825181 673139640 /nfs/dbraw/zinc/13/96/40/673139640.db2.gz IGOLTGAMGURZLM-HNNXBMFYSA-N 1 0 336.396 -1.547 20 0 EAADRO O=C(Cn1nccn1)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039825182 673139602 /nfs/dbraw/zinc/13/96/02/673139602.db2.gz IGOLTGAMGURZLM-OAHLLOKOSA-N 1 0 336.396 -1.547 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825289 673139465 /nfs/dbraw/zinc/13/94/65/673139465.db2.gz LJWQBKNCAIDTJW-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825290 673139491 /nfs/dbraw/zinc/13/94/91/673139491.db2.gz LJWQBKNCAIDTJW-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825377 673139860 /nfs/dbraw/zinc/13/98/60/673139860.db2.gz NFTQNVNUTVCIMK-DOMZBBRYSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825378 673140036 /nfs/dbraw/zinc/14/00/36/673140036.db2.gz NFTQNVNUTVCIMK-IUODEOHRSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 ZINC001039825379 673140054 /nfs/dbraw/zinc/14/00/54/673140054.db2.gz NFTQNVNUTVCIMK-SWLSCSKDSA-N 1 0 336.396 -1.548 20 0 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XFXXDXWMPCTZJS-LRDDRELGSA-N 1 0 340.424 -1.184 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040109170 673156984 /nfs/dbraw/zinc/15/69/84/673156984.db2.gz XFXXDXWMPCTZJS-MLGOLLRUSA-N 1 0 340.424 -1.184 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040109171 668965689 /nfs/dbraw/zinc/96/56/89/668965689.db2.gz XFXXDXWMPCTZJS-WBMJQRKESA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040113316 673157048 /nfs/dbraw/zinc/15/70/48/673157048.db2.gz FFKZRBCWOLLESI-BLLLJJGKSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040113317 673157012 /nfs/dbraw/zinc/15/70/12/673157012.db2.gz FFKZRBCWOLLESI-LRDDRELGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040113318 673157002 /nfs/dbraw/zinc/15/70/02/673157002.db2.gz FFKZRBCWOLLESI-MLGOLLRUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040113320 673157275 /nfs/dbraw/zinc/15/72/75/673157275.db2.gz FFKZRBCWOLLESI-WBMJQRKESA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)CCC1 ZINC001040115060 673157641 /nfs/dbraw/zinc/15/76/41/673157641.db2.gz PYWJKYJNGNQQQW-AWEZNQCLSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)CCC1 ZINC001040115061 673157657 /nfs/dbraw/zinc/15/76/57/673157657.db2.gz PYWJKYJNGNQQQW-CQSZACIVSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CCC1 ZINC001040115129 673157674 /nfs/dbraw/zinc/15/76/74/673157674.db2.gz QTHJDFKRGVGDCE-AWEZNQCLSA-N 1 0 326.397 -1.574 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CCC1 ZINC001040115130 673157679 /nfs/dbraw/zinc/15/76/79/673157679.db2.gz QTHJDFKRGVGDCE-CQSZACIVSA-N 1 0 326.397 -1.574 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001040116381 673157604 /nfs/dbraw/zinc/15/76/04/673157604.db2.gz ZLMBMUNIXJTNTB-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001040116384 673157596 /nfs/dbraw/zinc/15/75/96/673157596.db2.gz ZLMBMUNIXJTNTB-OAHLLOKOSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001040116950 673157477 /nfs/dbraw/zinc/15/74/77/673157477.db2.gz HGUUNDGRCIGMBE-DZGCQCFKSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001040116951 668969440 /nfs/dbraw/zinc/96/94/40/668969440.db2.gz HGUUNDGRCIGMBE-HIFRSBDPSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001040116953 668970063 /nfs/dbraw/zinc/97/00/63/668970063.db2.gz HGUUNDGRCIGMBE-UKRRQHHQSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001040116956 668969922 /nfs/dbraw/zinc/96/99/22/668969922.db2.gz HGUUNDGRCIGMBE-ZFWWWQNUSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040117192 673157374 /nfs/dbraw/zinc/15/73/74/673157374.db2.gz IZQRQLLEKQSXDO-BLLLJJGKSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040117195 673157516 /nfs/dbraw/zinc/15/75/16/673157516.db2.gz IZQRQLLEKQSXDO-LRDDRELGSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040117198 673157586 /nfs/dbraw/zinc/15/75/86/673157586.db2.gz IZQRQLLEKQSXDO-MLGOLLRUSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040117201 673157686 /nfs/dbraw/zinc/15/76/86/673157686.db2.gz IZQRQLLEKQSXDO-WBMJQRKESA-N 1 0 340.424 -1.186 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040117602 668970105 /nfs/dbraw/zinc/97/01/05/668970105.db2.gz AALAKRNMNNVRKS-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040117604 668969958 /nfs/dbraw/zinc/96/99/58/668969958.db2.gz AALAKRNMNNVRKS-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040117703 668969804 /nfs/dbraw/zinc/96/98/04/668969804.db2.gz BTTZQLZXMIWRAV-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040117704 668970087 /nfs/dbraw/zinc/97/00/87/668970087.db2.gz BTTZQLZXMIWRAV-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]n3)C2)CCC1 ZINC001040118270 673158115 /nfs/dbraw/zinc/15/81/15/673158115.db2.gz ODOFZSJDWWYAJR-AWEZNQCLSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]n3)C2)CCC1 ZINC001040118271 673157979 /nfs/dbraw/zinc/15/79/79/673157979.db2.gz ODOFZSJDWWYAJR-CQSZACIVSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C1CC1 ZINC001040118341 668970025 /nfs/dbraw/zinc/97/00/25/668970025.db2.gz OYZKXHYLIDOUFC-ABAIWWIYSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C1CC1 ZINC001040118342 673157867 /nfs/dbraw/zinc/15/78/67/673157867.db2.gz OYZKXHYLIDOUFC-IAQYHMDHSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C1CC1 ZINC001040118344 673158048 /nfs/dbraw/zinc/15/80/48/673158048.db2.gz OYZKXHYLIDOUFC-NHYWBVRUSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C1CC1 ZINC001040118345 673158128 /nfs/dbraw/zinc/15/81/28/673158128.db2.gz OYZKXHYLIDOUFC-XHDPSFHLSA-N 1 0 336.396 -1.162 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040118409 673158031 /nfs/dbraw/zinc/15/80/31/673158031.db2.gz FYZUPQVISRYHNV-BDJLRTHQSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040118410 673157999 /nfs/dbraw/zinc/15/79/99/673157999.db2.gz FYZUPQVISRYHNV-BZNIZROVSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040118411 673158086 /nfs/dbraw/zinc/15/80/86/673158086.db2.gz FYZUPQVISRYHNV-MEDUHNTESA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040118412 673158018 /nfs/dbraw/zinc/15/80/18/673158018.db2.gz FYZUPQVISRYHNV-ZBEGNZNMSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040118435 673157890 /nfs/dbraw/zinc/15/78/90/673157890.db2.gz GKLRXUGBSWCBOP-INIZCTEOSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040118436 673158108 /nfs/dbraw/zinc/15/81/08/673158108.db2.gz GKLRXUGBSWCBOP-MRXNPFEDSA-N 1 0 342.440 -1.082 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040119043 673158571 /nfs/dbraw/zinc/15/85/71/673158571.db2.gz LDNXLXSFQJFBNQ-BDJLRTHQSA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040119046 673158397 /nfs/dbraw/zinc/15/83/97/673158397.db2.gz LDNXLXSFQJFBNQ-BZNIZROVSA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040119048 673158352 /nfs/dbraw/zinc/15/83/52/673158352.db2.gz LDNXLXSFQJFBNQ-MEDUHNTESA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040119052 673158504 /nfs/dbraw/zinc/15/85/04/673158504.db2.gz LDNXLXSFQJFBNQ-ZBEGNZNMSA-N 1 0 340.424 -1.328 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040119140 673158413 /nfs/dbraw/zinc/15/84/13/673158413.db2.gz UBYHKNHLHWLQDK-GDBMZVCRSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040119142 673158444 /nfs/dbraw/zinc/15/84/44/673158444.db2.gz UBYHKNHLHWLQDK-GOEBONIOSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040119145 673158341 /nfs/dbraw/zinc/15/83/41/673158341.db2.gz UBYHKNHLHWLQDK-HOCLYGCPSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040119147 673158466 /nfs/dbraw/zinc/15/84/66/673158466.db2.gz UBYHKNHLHWLQDK-ZBFHGGJFSA-N 1 0 340.424 -1.458 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001040119335 673158439 /nfs/dbraw/zinc/15/84/39/673158439.db2.gz MSJKAOKYEOKBRD-BDJLRTHQSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001040119336 673158381 /nfs/dbraw/zinc/15/83/81/673158381.db2.gz MSJKAOKYEOKBRD-BZNIZROVSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001040119337 673158328 /nfs/dbraw/zinc/15/83/28/673158328.db2.gz MSJKAOKYEOKBRD-MEDUHNTESA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001040119338 673158521 /nfs/dbraw/zinc/15/85/21/673158521.db2.gz MSJKAOKYEOKBRD-ZBEGNZNMSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040119344 673158544 /nfs/dbraw/zinc/15/85/44/673158544.db2.gz MTPGYWHPEPBZRR-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040119345 673158473 /nfs/dbraw/zinc/15/84/73/673158473.db2.gz MTPGYWHPEPBZRR-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040119448 673158587 /nfs/dbraw/zinc/15/85/87/673158587.db2.gz VVIRSPONOWFLHH-DOMZBBRYSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040119450 673158526 /nfs/dbraw/zinc/15/85/26/673158526.db2.gz VVIRSPONOWFLHH-IUODEOHRSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040119451 673158364 /nfs/dbraw/zinc/15/83/64/673158364.db2.gz VVIRSPONOWFLHH-SWLSCSKDSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040119452 673158418 /nfs/dbraw/zinc/15/84/18/673158418.db2.gz VVIRSPONOWFLHH-WFASDCNBSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001040119502 673158457 /nfs/dbraw/zinc/15/84/57/673158457.db2.gz WRUKLLFXTCGDAJ-DOMZBBRYSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001040119503 673158450 /nfs/dbraw/zinc/15/84/50/673158450.db2.gz WRUKLLFXTCGDAJ-IUODEOHRSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001040119504 673158479 /nfs/dbraw/zinc/15/84/79/673158479.db2.gz WRUKLLFXTCGDAJ-SWLSCSKDSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001040119505 673158956 /nfs/dbraw/zinc/15/89/56/673158956.db2.gz WRUKLLFXTCGDAJ-WFASDCNBSA-N 1 0 341.412 -1.926 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001040119798 673159048 /nfs/dbraw/zinc/15/90/48/673159048.db2.gz XPBPJKIKUGSLMC-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001040119799 673158944 /nfs/dbraw/zinc/15/89/44/673158944.db2.gz XPBPJKIKUGSLMC-OAHLLOKOSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)CCC1 ZINC001040119904 673158907 /nfs/dbraw/zinc/15/89/07/673158907.db2.gz YNYFETHLHRQOAY-AWEZNQCLSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)CCC1 ZINC001040119905 673158976 /nfs/dbraw/zinc/15/89/76/673158976.db2.gz YNYFETHLHRQOAY-CQSZACIVSA-N 1 0 336.396 -1.018 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040120156 673158877 /nfs/dbraw/zinc/15/88/77/673158877.db2.gz ZTKCSEKRARVPBM-GDBMZVCRSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040120157 673159092 /nfs/dbraw/zinc/15/90/92/673159092.db2.gz ZTKCSEKRARVPBM-GOEBONIOSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040120158 673158919 /nfs/dbraw/zinc/15/89/19/673158919.db2.gz ZTKCSEKRARVPBM-HOCLYGCPSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040120160 673158870 /nfs/dbraw/zinc/15/88/70/673158870.db2.gz ZTKCSEKRARVPBM-ZBFHGGJFSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040120335 673159007 /nfs/dbraw/zinc/15/90/07/673159007.db2.gz RZLREFYNZZYSPS-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040120337 673158864 /nfs/dbraw/zinc/15/88/64/673158864.db2.gz RZLREFYNZZYSPS-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040120831 673158889 /nfs/dbraw/zinc/15/88/89/673158889.db2.gz VDZAARANYFYYQV-HNNXBMFYSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040120833 673159058 /nfs/dbraw/zinc/15/90/58/673159058.db2.gz VDZAARANYFYYQV-OAHLLOKOSA-N 1 0 328.413 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040121273 668972071 /nfs/dbraw/zinc/97/20/71/668972071.db2.gz ZQPPLFDOERYMEJ-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001040121274 668971494 /nfs/dbraw/zinc/97/14/94/668971494.db2.gz ZQPPLFDOERYMEJ-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040122637 673159329 /nfs/dbraw/zinc/15/93/29/673159329.db2.gz AJYUGWHYMPEBEO-SWLSCSKDSA-N 1 0 343.428 -1.680 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040122638 673159356 /nfs/dbraw/zinc/15/93/56/673159356.db2.gz AJYUGWHYMPEBEO-WFASDCNBSA-N 1 0 343.428 -1.680 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001040123021 673159918 /nfs/dbraw/zinc/15/99/18/673159918.db2.gz FZRWTPHAQVLOIK-GOEBONIOSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001040123024 673159868 /nfs/dbraw/zinc/15/98/68/673159868.db2.gz FZRWTPHAQVLOIK-HOCLYGCPSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1)[NH+](C)C ZINC001040124710 673160214 /nfs/dbraw/zinc/16/02/14/673160214.db2.gz SAYGCWISMALEGX-DZGCQCFKSA-N 1 0 328.413 -1.472 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1)[NH+](C)C ZINC001040124711 673160449 /nfs/dbraw/zinc/16/04/49/673160449.db2.gz SAYGCWISMALEGX-ZFWWWQNUSA-N 1 0 328.413 -1.472 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001040124730 673160758 /nfs/dbraw/zinc/16/07/58/673160758.db2.gz SLKICCQSFHRXBY-GOEBONIOSA-N 1 0 342.440 -1.212 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001040124731 673160809 /nfs/dbraw/zinc/16/08/09/673160809.db2.gz SLKICCQSFHRXBY-HOCLYGCPSA-N 1 0 342.440 -1.212 20 0 EAADRO NC(=O)CC(=O)N1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001040124962 673160747 /nfs/dbraw/zinc/16/07/47/673160747.db2.gz XTYWBPGBPKTTOJ-BDJLRTHQSA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001040124963 673160787 /nfs/dbraw/zinc/16/07/87/673160787.db2.gz XTYWBPGBPKTTOJ-BZNIZROVSA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001040124964 673160863 /nfs/dbraw/zinc/16/08/63/673160863.db2.gz XTYWBPGBPKTTOJ-MEDUHNTESA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001040124965 673160816 /nfs/dbraw/zinc/16/08/16/673160816.db2.gz XTYWBPGBPKTTOJ-ZBEGNZNMSA-N 1 0 336.392 -1.019 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001040125294 673160880 /nfs/dbraw/zinc/16/08/80/673160880.db2.gz XIWLUJRYWAFCMI-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001040125296 673161383 /nfs/dbraw/zinc/16/13/83/673161383.db2.gz XIWLUJRYWAFCMI-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001040125297 673161392 /nfs/dbraw/zinc/16/13/92/673161392.db2.gz XIWLUJRYWAFCMI-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001040125298 673161198 /nfs/dbraw/zinc/16/11/98/673161198.db2.gz XIWLUJRYWAFCMI-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040127244 673161272 /nfs/dbraw/zinc/16/12/72/673161272.db2.gz GGYURPIKASAJAW-HNNXBMFYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040127253 673161243 /nfs/dbraw/zinc/16/12/43/673161243.db2.gz GGYURPIKASAJAW-OAHLLOKOSA-N 1 0 337.380 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040128138 673161874 /nfs/dbraw/zinc/16/18/74/673161874.db2.gz MZNQJWIHCBNSNF-INIZCTEOSA-N 1 0 349.391 -1.029 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040128140 673161737 /nfs/dbraw/zinc/16/17/37/673161737.db2.gz MZNQJWIHCBNSNF-MRXNPFEDSA-N 1 0 349.391 -1.029 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040128306 673161696 /nfs/dbraw/zinc/16/16/96/673161696.db2.gz NZMPKGJOLCKVMJ-MLGOLLRUSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040128310 673161924 /nfs/dbraw/zinc/16/19/24/673161924.db2.gz NZMPKGJOLCKVMJ-WBMJQRKESA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001040128973 673161947 /nfs/dbraw/zinc/16/19/47/673161947.db2.gz UNIJSQFXXQDTRY-BDJLRTHQSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001040128974 673161639 /nfs/dbraw/zinc/16/16/39/673161639.db2.gz UNIJSQFXXQDTRY-BZNIZROVSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001040128975 673161609 /nfs/dbraw/zinc/16/16/09/673161609.db2.gz UNIJSQFXXQDTRY-MEDUHNTESA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001040128977 673161917 /nfs/dbraw/zinc/16/19/17/673161917.db2.gz UNIJSQFXXQDTRY-ZBEGNZNMSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040130150 673162267 /nfs/dbraw/zinc/16/22/67/673162267.db2.gz NZMPKGJOLCKVMJ-BLLLJJGKSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001040130153 673162069 /nfs/dbraw/zinc/16/20/69/673162069.db2.gz NZMPKGJOLCKVMJ-LRDDRELGSA-N 1 0 349.391 -1.030 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001040137902 673163506 /nfs/dbraw/zinc/16/35/06/673163506.db2.gz URCSACBQZNOBHH-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001040137903 673163488 /nfs/dbraw/zinc/16/34/88/673163488.db2.gz URCSACBQZNOBHH-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@H+](CC(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1)C1CCC1 ZINC001040146832 673164700 /nfs/dbraw/zinc/16/47/00/673164700.db2.gz HRSFZLWPKMVPKD-HNNXBMFYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@H+](CC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1)C1CCC1 ZINC001040146834 668989980 /nfs/dbraw/zinc/98/99/80/668989980.db2.gz HRSFZLWPKMVPKD-OAHLLOKOSA-N 1 0 341.412 -1.781 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001040148193 673165149 /nfs/dbraw/zinc/16/51/49/673165149.db2.gz PQESYHSCMSILSF-INIZCTEOSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001040148194 673165049 /nfs/dbraw/zinc/16/50/49/673165049.db2.gz PQESYHSCMSILSF-MRXNPFEDSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001040148231 668991133 /nfs/dbraw/zinc/99/11/33/668991133.db2.gz QNYHKWHOWFEKET-INIZCTEOSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001040148232 668990707 /nfs/dbraw/zinc/99/07/07/668990707.db2.gz QNYHKWHOWFEKET-MRXNPFEDSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@H+](CC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C1CCC1 ZINC001040149000 673165097 /nfs/dbraw/zinc/16/50/97/673165097.db2.gz WRNGYOBXRUMGOW-HNNXBMFYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@H+](CC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C1CCC1 ZINC001040149003 673165135 /nfs/dbraw/zinc/16/51/35/673165135.db2.gz WRNGYOBXRUMGOW-OAHLLOKOSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@H+](CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1)C1CCC1 ZINC001040149261 673164958 /nfs/dbraw/zinc/16/49/58/673164958.db2.gz YJAIEHDYILCZEK-HNNXBMFYSA-N 1 0 326.397 -1.574 20 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JFSBSEJKMORETA-ZBEGNZNMSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001040164759 673167560 /nfs/dbraw/zinc/16/75/60/673167560.db2.gz YNGZOAXZJHOBKN-BLLLJJGKSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001040164760 673167734 /nfs/dbraw/zinc/16/77/34/673167734.db2.gz YNGZOAXZJHOBKN-LRDDRELGSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001040164761 673167525 /nfs/dbraw/zinc/16/75/25/673167525.db2.gz YNGZOAXZJHOBKN-MLGOLLRUSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001040164762 673167748 /nfs/dbraw/zinc/16/77/48/673167748.db2.gz YNGZOAXZJHOBKN-WBMJQRKESA-N 1 0 349.391 -1.030 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1 ZINC001040181402 669025867 /nfs/dbraw/zinc/02/58/67/669025867.db2.gz NFLIGCUHVPAYJB-INIZCTEOSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1 ZINC001040181403 669025693 /nfs/dbraw/zinc/02/56/93/669025693.db2.gz NFLIGCUHVPAYJB-MRXNPFEDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040181970 673168665 /nfs/dbraw/zinc/16/86/65/673168665.db2.gz QLBJOEJHHQLOQG-HNNXBMFYSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040181971 673168416 /nfs/dbraw/zinc/16/84/16/673168416.db2.gz QLBJOEJHHQLOQG-OAHLLOKOSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1 ZINC001040182584 673169062 /nfs/dbraw/zinc/16/90/62/673169062.db2.gz UZTCKVCNVPOXKG-INIZCTEOSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1 ZINC001040182585 669028921 /nfs/dbraw/zinc/02/89/21/669028921.db2.gz UZTCKVCNVPOXKG-MRXNPFEDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040183511 669032829 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20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040188969 669048393 /nfs/dbraw/zinc/04/83/93/669048393.db2.gz BXMTYELMGWJRLA-MLGOLLRUSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040188971 669048058 /nfs/dbraw/zinc/04/80/58/669048058.db2.gz BXMTYELMGWJRLA-WBMJQRKESA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040189040 673169875 /nfs/dbraw/zinc/16/98/75/673169875.db2.gz DFZFKOVDDOVKAW-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040189041 673169823 /nfs/dbraw/zinc/16/98/23/673169823.db2.gz DFZFKOVDDOVKAW-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040189042 673169832 /nfs/dbraw/zinc/16/98/32/673169832.db2.gz DFZFKOVDDOVKAW-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040189043 673169896 /nfs/dbraw/zinc/16/98/96/673169896.db2.gz DFZFKOVDDOVKAW-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040190680 673169847 /nfs/dbraw/zinc/16/98/47/673169847.db2.gz QCQXCFVYVGEMPM-DUVNUKRYSA-N 1 0 343.424 -1.178 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040190681 669049339 /nfs/dbraw/zinc/04/93/39/669049339.db2.gz QCQXCFVYVGEMPM-NOLJZWGESA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001040197147 673170248 /nfs/dbraw/zinc/17/02/48/673170248.db2.gz ANRKIHORAIIBDM-ABAIWWIYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001040197148 673170269 /nfs/dbraw/zinc/17/02/69/673170269.db2.gz ANRKIHORAIIBDM-IAQYHMDHSA-N 1 0 338.412 -1.152 20 0 EAADRO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001040197480 673170274 /nfs/dbraw/zinc/17/02/74/673170274.db2.gz CTCBXAFMEIQTNU-INIZCTEOSA-N 1 0 338.408 -1.573 20 0 EAADRO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001040197481 673170135 /nfs/dbraw/zinc/17/01/35/673170135.db2.gz CTCBXAFMEIQTNU-MRXNPFEDSA-N 1 0 338.408 -1.573 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cnnn2C)C1)[NH+](C)C ZINC001040197677 673170271 /nfs/dbraw/zinc/17/02/71/673170271.db2.gz DQGQUDDRDFJWSD-ABAIWWIYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cnnn2C)C1)[NH+](C)C ZINC001040197679 673170296 /nfs/dbraw/zinc/17/02/96/673170296.db2.gz DQGQUDDRDFJWSD-IAQYHMDHSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001040197692 673170226 /nfs/dbraw/zinc/17/02/26/673170226.db2.gz DYTOQLHZVWGECK-BXUZGUMPSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001040197694 669067358 /nfs/dbraw/zinc/06/73/58/669067358.db2.gz DYTOQLHZVWGECK-RISCZKNCSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001040197717 673170303 /nfs/dbraw/zinc/17/03/03/673170303.db2.gz FCJOWICKHCAXHR-DOMZBBRYSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001040197719 673170238 /nfs/dbraw/zinc/17/02/38/673170238.db2.gz FCJOWICKHCAXHR-IUODEOHRSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001040197835 673170209 /nfs/dbraw/zinc/17/02/09/673170209.db2.gz GSJTXAYJOMYXGQ-CJNGLKHVSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001040197836 669067584 /nfs/dbraw/zinc/06/75/84/669067584.db2.gz GSJTXAYJOMYXGQ-CZUORRHYSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001040198014 673170252 /nfs/dbraw/zinc/17/02/52/673170252.db2.gz HKRGQWYMBFCBJH-FIXISWKDSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001040198016 673170246 /nfs/dbraw/zinc/17/02/46/673170246.db2.gz HKRGQWYMBFCBJH-RWSFTLGLSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040198077 673170125 /nfs/dbraw/zinc/17/01/25/673170125.db2.gz ICHBPZONBKJRFT-QMTHXVAHSA-N 1 0 329.401 -1.926 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040198078 673170231 /nfs/dbraw/zinc/17/02/31/673170231.db2.gz ICHBPZONBKJRFT-YGRLFVJLSA-N 1 0 329.401 -1.926 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001040198095 673170250 /nfs/dbraw/zinc/17/02/50/673170250.db2.gz ISUULADMOHNGNR-DOMZBBRYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001040198096 673170265 /nfs/dbraw/zinc/17/02/65/673170265.db2.gz ISUULADMOHNGNR-IUODEOHRSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040199043 673170212 /nfs/dbraw/zinc/17/02/12/673170212.db2.gz PTDCVICQLYFJDV-HSMVNMDESA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040199044 673170242 /nfs/dbraw/zinc/17/02/42/673170242.db2.gz PTDCVICQLYFJDV-HWWQOWPSSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040199045 673170240 /nfs/dbraw/zinc/17/02/40/673170240.db2.gz PTDCVICQLYFJDV-OZVIIMIRSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040199046 673170261 /nfs/dbraw/zinc/17/02/61/673170261.db2.gz PTDCVICQLYFJDV-XHBSWPGZSA-N 1 0 340.424 -1.315 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040199048 673170088 /nfs/dbraw/zinc/17/00/88/673170088.db2.gz PUODWPYPXQFURA-MLGOLLRUSA-N 1 0 342.440 -1.068 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040199049 673170259 /nfs/dbraw/zinc/17/02/59/673170259.db2.gz PUODWPYPXQFURA-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040199103 673170600 /nfs/dbraw/zinc/17/06/00/673170600.db2.gz QPQYKNQTIWYSEV-MLGOLLRUSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040199104 673170672 /nfs/dbraw/zinc/17/06/72/673170672.db2.gz QPQYKNQTIWYSEV-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040199154 673170759 /nfs/dbraw/zinc/17/07/59/673170759.db2.gz RIYKMNFLOFQZRM-DOMZBBRYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040199155 673170641 /nfs/dbraw/zinc/17/06/41/673170641.db2.gz RIYKMNFLOFQZRM-IUODEOHRSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001040199214 673170683 /nfs/dbraw/zinc/17/06/83/673170683.db2.gz RQKJXDORNOTAEB-BXUZGUMPSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001040199216 673170743 /nfs/dbraw/zinc/17/07/43/673170743.db2.gz RQKJXDORNOTAEB-RISCZKNCSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001040199307 673170645 /nfs/dbraw/zinc/17/06/45/673170645.db2.gz SVZIUMBWGKSLTK-BXUZGUMPSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001040199308 673170653 /nfs/dbraw/zinc/17/06/53/673170653.db2.gz SVZIUMBWGKSLTK-RISCZKNCSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1)[NH+](C)C ZINC001040199317 673170695 /nfs/dbraw/zinc/17/06/95/673170695.db2.gz SYWNMPJBSWPXMW-ABAIWWIYSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1)[NH+](C)C ZINC001040199318 673170727 /nfs/dbraw/zinc/17/07/27/673170727.db2.gz SYWNMPJBSWPXMW-IAQYHMDHSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(=O)N(C)C)C1)[NH+](C)C ZINC001040199600 673170544 /nfs/dbraw/zinc/17/05/44/673170544.db2.gz BKOKNUQCESIWSY-MLGOLLRUSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)N(C)C)C1)[NH+](C)C ZINC001040199603 669068868 /nfs/dbraw/zinc/06/88/68/669068868.db2.gz BKOKNUQCESIWSY-WBMJQRKESA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)OC)C1)[NH+](C)C ZINC001040199827 673170721 /nfs/dbraw/zinc/17/07/21/673170721.db2.gz ZEIOHFYWMNHXOJ-ABAIWWIYSA-N 1 0 344.412 -1.238 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)OC)C1)[NH+](C)C ZINC001040199829 673170555 /nfs/dbraw/zinc/17/05/55/673170555.db2.gz ZEIOHFYWMNHXOJ-IAQYHMDHSA-N 1 0 344.412 -1.238 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1)[NH+](C)C ZINC001040199891 673170573 /nfs/dbraw/zinc/17/05/73/673170573.db2.gz CWASAYCXZQNSAI-DOMZBBRYSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1)[NH+](C)C ZINC001040199892 673170707 /nfs/dbraw/zinc/17/07/07/673170707.db2.gz CWASAYCXZQNSAI-IUODEOHRSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040199909 673170659 /nfs/dbraw/zinc/17/06/59/673170659.db2.gz DAJDUZUOMGIWPC-QMTHXVAHSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040199910 673170648 /nfs/dbraw/zinc/17/06/48/673170648.db2.gz DAJDUZUOMGIWPC-YGRLFVJLSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040200527 673170749 /nfs/dbraw/zinc/17/07/49/673170749.db2.gz IBIZDSNXJXVRQL-DOMZBBRYSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040200528 673170663 /nfs/dbraw/zinc/17/06/63/673170663.db2.gz IBIZDSNXJXVRQL-IUODEOHRSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001040200675 673170736 /nfs/dbraw/zinc/17/07/36/673170736.db2.gz JPOCVHSENBNAJT-ABAIWWIYSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001040200676 673170678 /nfs/dbraw/zinc/17/06/78/673170678.db2.gz JPOCVHSENBNAJT-IAQYHMDHSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040201827 669069446 /nfs/dbraw/zinc/06/94/46/669069446.db2.gz PJQLDFMILSJNCV-BDJLRTHQSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040201828 669068517 /nfs/dbraw/zinc/06/85/17/669068517.db2.gz PJQLDFMILSJNCV-BZNIZROVSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001040202361 673170655 /nfs/dbraw/zinc/17/06/55/673170655.db2.gz RMWODMJSLUFICY-ABAIWWIYSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001040202362 673171077 /nfs/dbraw/zinc/17/10/77/673171077.db2.gz RMWODMJSLUFICY-IAQYHMDHSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040202950 673170991 /nfs/dbraw/zinc/17/09/91/673170991.db2.gz VJOAWNKRRHPLJE-ABAIWWIYSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040202952 669069507 /nfs/dbraw/zinc/06/95/07/669069507.db2.gz VJOAWNKRRHPLJE-IAQYHMDHSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)NC)C1)[NH+](C)C ZINC001040203399 669069572 /nfs/dbraw/zinc/06/95/72/669069572.db2.gz YAFPJLQFOICPCC-ABAIWWIYSA-N 1 0 343.428 -1.665 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)NC)C1)[NH+](C)C ZINC001040203400 669069710 /nfs/dbraw/zinc/06/97/10/669069710.db2.gz YAFPJLQFOICPCC-IAQYHMDHSA-N 1 0 343.428 -1.665 20 0 EAADRO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001040205737 673171074 /nfs/dbraw/zinc/17/10/74/673171074.db2.gz HPJNBIITCOTMMK-INIZCTEOSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001040205738 673171134 /nfs/dbraw/zinc/17/11/34/673171134.db2.gz HPJNBIITCOTMMK-MRXNPFEDSA-N 1 0 340.424 -1.183 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001040206519 673171122 /nfs/dbraw/zinc/17/11/22/673171122.db2.gz XJYUUHZMFOZGSI-DOMZBBRYSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001040206520 673171128 /nfs/dbraw/zinc/17/11/28/673171128.db2.gz XJYUUHZMFOZGSI-IUODEOHRSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001040206521 673171191 /nfs/dbraw/zinc/17/11/91/673171191.db2.gz XJYUUHZMFOZGSI-SWLSCSKDSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001040206532 673171170 /nfs/dbraw/zinc/17/11/70/673171170.db2.gz XJYUUHZMFOZGSI-WFASDCNBSA-N 1 0 333.396 -1.124 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)CC1 ZINC001040211678 673171831 /nfs/dbraw/zinc/17/18/31/673171831.db2.gz JEWXLWUAOVJFIF-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)CC1 ZINC001040211680 673171896 /nfs/dbraw/zinc/17/18/96/673171896.db2.gz JEWXLWUAOVJFIF-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCO)C3)n1 ZINC001040211743 673171963 /nfs/dbraw/zinc/17/19/63/673171963.db2.gz ZDHLKBAOTFCBPO-HNNXBMFYSA-N 1 0 336.396 -1.316 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCO)C3)n1 ZINC001040211744 673171825 /nfs/dbraw/zinc/17/18/25/673171825.db2.gz ZDHLKBAOTFCBPO-OAHLLOKOSA-N 1 0 336.396 -1.316 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001040212043 673171902 /nfs/dbraw/zinc/17/19/02/673171902.db2.gz MHOXUXNERLOOCI-INIZCTEOSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001040212045 673171937 /nfs/dbraw/zinc/17/19/37/673171937.db2.gz MHOXUXNERLOOCI-MRXNPFEDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001040212088 673172066 /nfs/dbraw/zinc/17/20/66/673172066.db2.gz MPLRHZYMHBXIGW-BLLLJJGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001040212090 669078545 /nfs/dbraw/zinc/07/85/45/669078545.db2.gz MPLRHZYMHBXIGW-LRDDRELGSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001040212094 669078632 /nfs/dbraw/zinc/07/86/32/669078632.db2.gz MPLRHZYMHBXIGW-MLGOLLRUSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001040212101 669078270 /nfs/dbraw/zinc/07/82/70/669078270.db2.gz MPLRHZYMHBXIGW-WBMJQRKESA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001040212342 673172020 /nfs/dbraw/zinc/17/20/20/673172020.db2.gz OUOSDETZSCPNLJ-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001040212343 669079156 /nfs/dbraw/zinc/07/91/56/669079156.db2.gz OUOSDETZSCPNLJ-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040212349 669079182 /nfs/dbraw/zinc/07/91/82/669079182.db2.gz OVTVBCRCMHDHIY-INIZCTEOSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040212351 669078476 /nfs/dbraw/zinc/07/84/76/669078476.db2.gz OVTVBCRCMHDHIY-MRXNPFEDSA-N 1 0 340.424 -1.183 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)CC1 ZINC001040212396 669079150 /nfs/dbraw/zinc/07/91/50/669079150.db2.gz PPADUGKOPALAGI-HNNXBMFYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)CC1 ZINC001040212397 669079200 /nfs/dbraw/zinc/07/92/00/669079200.db2.gz PPADUGKOPALAGI-OAHLLOKOSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CCCC(N)=O)C2)C1 ZINC001040213284 673172389 /nfs/dbraw/zinc/17/23/89/673172389.db2.gz XVHLUXOEMOXRES-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)CCCC(N)=O)C2)C1 ZINC001040213285 669080939 /nfs/dbraw/zinc/08/09/39/669080939.db2.gz XVHLUXOEMOXRES-LRDDRELGSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CCCC(N)=O)C2)C1 ZINC001040213287 669080829 /nfs/dbraw/zinc/08/08/29/669080829.db2.gz XVHLUXOEMOXRES-MLGOLLRUSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CCCC(N)=O)C2)C1 ZINC001040213288 669080851 /nfs/dbraw/zinc/08/08/51/669080851.db2.gz XVHLUXOEMOXRES-WBMJQRKESA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001040213412 673172401 /nfs/dbraw/zinc/17/24/01/673172401.db2.gz ZHRMKFCMLWRMRU-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001040213413 673172380 /nfs/dbraw/zinc/17/23/80/673172380.db2.gz ZHRMKFCMLWRMRU-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001040213432 673172321 /nfs/dbraw/zinc/17/23/21/673172321.db2.gz ZXMWDINFBJTJFO-INIZCTEOSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001040213433 673172147 /nfs/dbraw/zinc/17/21/47/673172147.db2.gz ZXMWDINFBJTJFO-MRXNPFEDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]n3)C2)CC1 ZINC001040214940 673173387 /nfs/dbraw/zinc/17/33/87/673173387.db2.gz RQMJQBLSDJMKSV-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]n3)C2)CC1 ZINC001040214941 673173556 /nfs/dbraw/zinc/17/35/56/673173556.db2.gz RQMJQBLSDJMKSV-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3ccnc3)C2)C1 ZINC001040217803 673174456 /nfs/dbraw/zinc/17/44/56/673174456.db2.gz RGHOIBQHPJUENL-BBRMVZONSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3ccnc3)C2)C1 ZINC001040217804 673174511 /nfs/dbraw/zinc/17/45/11/673174511.db2.gz RGHOIBQHPJUENL-CJNGLKHVSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3ccnc3)C2)C1 ZINC001040217805 673174408 /nfs/dbraw/zinc/17/44/08/673174408.db2.gz RGHOIBQHPJUENL-CZUORRHYSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3ccnc3)C2)C1 ZINC001040217806 673174374 /nfs/dbraw/zinc/17/43/74/673174374.db2.gz RGHOIBQHPJUENL-XJKSGUPXSA-N 1 0 335.408 -1.086 20 0 EAADRO Cc1c(C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001040229954 673176673 /nfs/dbraw/zinc/17/66/73/673176673.db2.gz PTKPOEABGUYEJE-INIZCTEOSA-N 1 0 345.359 -1.179 20 0 EAADRO Cc1c(C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001040229957 673176738 /nfs/dbraw/zinc/17/67/38/673176738.db2.gz PTKPOEABGUYEJE-MRXNPFEDSA-N 1 0 345.359 -1.179 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040242013 673178435 /nfs/dbraw/zinc/17/84/35/673178435.db2.gz BATLLEYDWLDNPG-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040242015 673178369 /nfs/dbraw/zinc/17/83/69/673178369.db2.gz BATLLEYDWLDNPG-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040242017 673178597 /nfs/dbraw/zinc/17/85/97/673178597.db2.gz BATLLEYDWLDNPG-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040242019 673178444 /nfs/dbraw/zinc/17/84/44/673178444.db2.gz BATLLEYDWLDNPG-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040242173 673178399 /nfs/dbraw/zinc/17/83/99/673178399.db2.gz CBOKDIMWWOLTCV-ABAIWWIYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040242175 673178492 /nfs/dbraw/zinc/17/84/92/673178492.db2.gz CBOKDIMWWOLTCV-IAQYHMDHSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040242177 673178420 /nfs/dbraw/zinc/17/84/20/673178420.db2.gz CBOKDIMWWOLTCV-NHYWBVRUSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040242179 673178362 /nfs/dbraw/zinc/17/83/62/673178362.db2.gz CBOKDIMWWOLTCV-XHDPSFHLSA-N 1 0 336.396 -1.018 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001040243354 673178583 /nfs/dbraw/zinc/17/85/83/673178583.db2.gz KXPVKOIBIRLCHF-BBRMVZONSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001040243355 669184085 /nfs/dbraw/zinc/18/40/85/669184085.db2.gz KXPVKOIBIRLCHF-CJNGLKHVSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001040243356 669184428 /nfs/dbraw/zinc/18/44/28/669184428.db2.gz KXPVKOIBIRLCHF-CZUORRHYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001040243357 669184442 /nfs/dbraw/zinc/18/44/42/669184442.db2.gz KXPVKOIBIRLCHF-XJKSGUPXSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040244295 673178471 /nfs/dbraw/zinc/17/84/71/673178471.db2.gz QMNPEMSCIYDCEQ-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040244296 673178403 /nfs/dbraw/zinc/17/84/03/673178403.db2.gz QMNPEMSCIYDCEQ-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040244297 673178556 /nfs/dbraw/zinc/17/85/56/673178556.db2.gz QMNPEMSCIYDCEQ-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040244298 673178566 /nfs/dbraw/zinc/17/85/66/673178566.db2.gz QMNPEMSCIYDCEQ-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040244882 673178321 /nfs/dbraw/zinc/17/83/21/673178321.db2.gz WGDVKFXZANDZAX-ABAIWWIYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040244883 673178349 /nfs/dbraw/zinc/17/83/49/673178349.db2.gz WGDVKFXZANDZAX-IAQYHMDHSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040244884 673178314 /nfs/dbraw/zinc/17/83/14/673178314.db2.gz WGDVKFXZANDZAX-NHYWBVRUSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040244885 673178455 /nfs/dbraw/zinc/17/84/55/673178455.db2.gz WGDVKFXZANDZAX-XHDPSFHLSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001040246478 673178452 /nfs/dbraw/zinc/17/84/52/673178452.db2.gz CYTJVSXKWGUHNH-AWEZNQCLSA-N 1 0 349.453 -1.548 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001040246479 673178615 /nfs/dbraw/zinc/17/86/15/673178615.db2.gz CYTJVSXKWGUHNH-CQSZACIVSA-N 1 0 349.453 -1.548 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040247644 673178769 /nfs/dbraw/zinc/17/87/69/673178769.db2.gz HSDBPCUEHPNWJX-DOMZBBRYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040247645 673179020 /nfs/dbraw/zinc/17/90/20/673179020.db2.gz HSDBPCUEHPNWJX-IUODEOHRSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040247646 673179339 /nfs/dbraw/zinc/17/93/39/673179339.db2.gz HSDBPCUEHPNWJX-SWLSCSKDSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040247647 673179351 /nfs/dbraw/zinc/17/93/51/673179351.db2.gz HSDBPCUEHPNWJX-WFASDCNBSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040248102 669198653 /nfs/dbraw/zinc/19/86/53/669198653.db2.gz QPSXDTCVOXRJSW-BXUZGUMPSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040248103 669198593 /nfs/dbraw/zinc/19/85/93/669198593.db2.gz QPSXDTCVOXRJSW-FZMZJTMJSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040248104 669198505 /nfs/dbraw/zinc/19/85/05/669198505.db2.gz QPSXDTCVOXRJSW-RISCZKNCSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040248105 669198647 /nfs/dbraw/zinc/19/86/47/669198647.db2.gz QPSXDTCVOXRJSW-SMDDNHRTSA-N 1 0 349.453 -1.549 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001040255348 673180204 /nfs/dbraw/zinc/18/02/04/673180204.db2.gz IPYMDEWVWWAIGT-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001040255350 673180289 /nfs/dbraw/zinc/18/02/89/673180289.db2.gz IPYMDEWVWWAIGT-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001040255351 673180236 /nfs/dbraw/zinc/18/02/36/673180236.db2.gz IPYMDEWVWWAIGT-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001040255352 673180280 /nfs/dbraw/zinc/18/02/80/673180280.db2.gz IPYMDEWVWWAIGT-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040256011 673180757 /nfs/dbraw/zinc/18/07/57/673180757.db2.gz PWSAVPFQAFPPSC-BLLLJJGKSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040256012 673180665 /nfs/dbraw/zinc/18/06/65/673180665.db2.gz PWSAVPFQAFPPSC-LRDDRELGSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040256013 673180711 /nfs/dbraw/zinc/18/07/11/673180711.db2.gz PWSAVPFQAFPPSC-MLGOLLRUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040256014 673180612 /nfs/dbraw/zinc/18/06/12/673180612.db2.gz PWSAVPFQAFPPSC-WBMJQRKESA-N 1 0 340.424 -1.328 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1cn[nH]n1 ZINC001040265251 673182408 /nfs/dbraw/zinc/18/24/08/673182408.db2.gz LEULNIYSJVNPEU-HNNXBMFYSA-N 1 0 334.380 -1.406 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1cn[nH]n1 ZINC001040265252 673182414 /nfs/dbraw/zinc/18/24/14/673182414.db2.gz LEULNIYSJVNPEU-OAHLLOKOSA-N 1 0 334.380 -1.406 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040265514 673182400 /nfs/dbraw/zinc/18/24/00/673182400.db2.gz NILZIIRVHLPLIM-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040265516 673182357 /nfs/dbraw/zinc/18/23/57/673182357.db2.gz NILZIIRVHLPLIM-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040265589 673182607 /nfs/dbraw/zinc/18/26/07/673182607.db2.gz NILZIIRVHLPLIM-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040265591 673182494 /nfs/dbraw/zinc/18/24/94/673182494.db2.gz NILZIIRVHLPLIM-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040266819 673183450 /nfs/dbraw/zinc/18/34/50/673183450.db2.gz ZMCQATDBNHYPON-AWEZNQCLSA-N 1 0 340.384 -1.924 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040266820 673183523 /nfs/dbraw/zinc/18/35/23/673183523.db2.gz ZMCQATDBNHYPON-CQSZACIVSA-N 1 0 340.384 -1.924 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1)C1CCC1 ZINC001040267152 673183564 /nfs/dbraw/zinc/18/35/64/673183564.db2.gz BAMOVFUFKGBMSF-HNNXBMFYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1)C1CCC1 ZINC001040267153 673183658 /nfs/dbraw/zinc/18/36/58/673183658.db2.gz BAMOVFUFKGBMSF-OAHLLOKOSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040267523 673183505 /nfs/dbraw/zinc/18/35/05/673183505.db2.gz CITQJIQWROHHJQ-ABAIWWIYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040267524 673183576 /nfs/dbraw/zinc/18/35/76/673183576.db2.gz CITQJIQWROHHJQ-IAQYHMDHSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040267525 673183369 /nfs/dbraw/zinc/18/33/69/673183369.db2.gz CITQJIQWROHHJQ-NHYWBVRUSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040267526 673183589 /nfs/dbraw/zinc/18/35/89/673183589.db2.gz CITQJIQWROHHJQ-XHDPSFHLSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)CCC1 ZINC001040267954 673183616 /nfs/dbraw/zinc/18/36/16/673183616.db2.gz FDDKZSQQFMTAHQ-AWEZNQCLSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)CCC1 ZINC001040267955 673183609 /nfs/dbraw/zinc/18/36/09/673183609.db2.gz FDDKZSQQFMTAHQ-CQSZACIVSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001040268817 673184168 /nfs/dbraw/zinc/18/41/68/673184168.db2.gz KQGIYDSIIBGNOK-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001040268818 673184096 /nfs/dbraw/zinc/18/40/96/673184096.db2.gz KQGIYDSIIBGNOK-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040269104 673184586 /nfs/dbraw/zinc/18/45/86/673184586.db2.gz ORTYZLANCFTBNS-DOMZBBRYSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040269105 673184649 /nfs/dbraw/zinc/18/46/49/673184649.db2.gz ORTYZLANCFTBNS-IUODEOHRSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040269106 673184480 /nfs/dbraw/zinc/18/44/80/673184480.db2.gz ORTYZLANCFTBNS-SWLSCSKDSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001040269107 673184559 /nfs/dbraw/zinc/18/45/59/673184559.db2.gz ORTYZLANCFTBNS-WFASDCNBSA-N 1 0 336.396 -1.162 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269605 673185110 /nfs/dbraw/zinc/18/51/10/673185110.db2.gz TWRBTJJFCDQENF-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269608 673185104 /nfs/dbraw/zinc/18/51/04/673185104.db2.gz TWRBTJJFCDQENF-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269611 673184954 /nfs/dbraw/zinc/18/49/54/673184954.db2.gz TWRBTJJFCDQENF-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269615 673185080 /nfs/dbraw/zinc/18/50/80/673185080.db2.gz TWRBTJJFCDQENF-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)CC[N@@H+]1C ZINC001040269690 673184986 /nfs/dbraw/zinc/18/49/86/673184986.db2.gz UPEJLVDICBBTAE-HFAKWTLXSA-N 1 0 336.396 -1.162 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)CC[N@@H+]1C ZINC001040269691 673185054 /nfs/dbraw/zinc/18/50/54/673185054.db2.gz UPEJLVDICBBTAE-UEKVPHQBSA-N 1 0 336.396 -1.162 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)c1cn[nH]n1 ZINC001040269716 673185100 /nfs/dbraw/zinc/18/51/00/673185100.db2.gz VAOVLARSOMZFBU-BLLLJJGKSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)c1cn[nH]n1 ZINC001040269717 673185075 /nfs/dbraw/zinc/18/50/75/673185075.db2.gz VAOVLARSOMZFBU-LRDDRELGSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)c1cn[nH]n1 ZINC001040269718 673185095 /nfs/dbraw/zinc/18/50/95/673185095.db2.gz VAOVLARSOMZFBU-MLGOLLRUSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)c1cn[nH]n1 ZINC001040269719 673185009 /nfs/dbraw/zinc/18/50/09/673185009.db2.gz VAOVLARSOMZFBU-WBMJQRKESA-N 1 0 348.407 -1.160 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001040269865 673184972 /nfs/dbraw/zinc/18/49/72/673184972.db2.gz XEFOXGWYHJUYEE-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001040269866 673185119 /nfs/dbraw/zinc/18/51/19/673185119.db2.gz XEFOXGWYHJUYEE-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040271143 673185445 /nfs/dbraw/zinc/18/54/45/673185445.db2.gz GSGZPDYWWJOGEQ-DOMZBBRYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040271145 673185439 /nfs/dbraw/zinc/18/54/39/673185439.db2.gz GSGZPDYWWJOGEQ-IUODEOHRSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040271147 673185467 /nfs/dbraw/zinc/18/54/67/673185467.db2.gz GSGZPDYWWJOGEQ-SWLSCSKDSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040271148 673185478 /nfs/dbraw/zinc/18/54/78/673185478.db2.gz GSGZPDYWWJOGEQ-WFASDCNBSA-N 1 0 336.396 -1.018 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001040280183 673186879 /nfs/dbraw/zinc/18/68/79/673186879.db2.gz CRRPWAWYDNNYAL-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001040280184 673186968 /nfs/dbraw/zinc/18/69/68/673186968.db2.gz CRRPWAWYDNNYAL-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001040284499 673188256 /nfs/dbraw/zinc/18/82/56/673188256.db2.gz JVJOGVIOTKCLBD-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001040284501 673188230 /nfs/dbraw/zinc/18/82/30/673188230.db2.gz JVJOGVIOTKCLBD-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001040284504 673188413 /nfs/dbraw/zinc/18/84/13/673188413.db2.gz JVJOGVIOTKCLBD-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001040284505 673188361 /nfs/dbraw/zinc/18/83/61/673188361.db2.gz JVJOGVIOTKCLBD-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO NC(=O)CC(=O)N1CC[C@](O)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001040296516 673189525 /nfs/dbraw/zinc/18/95/25/673189525.db2.gz CDVCMOMFLQKPNS-INIZCTEOSA-N 1 0 345.359 -1.097 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001040296518 673189554 /nfs/dbraw/zinc/18/95/54/673189554.db2.gz CDVCMOMFLQKPNS-MRXNPFEDSA-N 1 0 345.359 -1.097 20 0 EAADRO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001040297139 673189398 /nfs/dbraw/zinc/18/93/98/673189398.db2.gz GSVNJWASNWFBSV-HNNXBMFYSA-N 1 0 331.332 -1.487 20 0 EAADRO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001040297140 673189414 /nfs/dbraw/zinc/18/94/14/673189414.db2.gz GSVNJWASNWFBSV-OAHLLOKOSA-N 1 0 331.332 -1.487 20 0 EAADRO Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001040301560 673190067 /nfs/dbraw/zinc/19/00/67/673190067.db2.gz AVFJJKGXILGMSX-ABAIWWIYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001040301561 673190145 /nfs/dbraw/zinc/19/01/45/673190145.db2.gz AVFJJKGXILGMSX-IAQYHMDHSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001040301562 673190031 /nfs/dbraw/zinc/19/00/31/673190031.db2.gz AVFJJKGXILGMSX-NHYWBVRUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001040301563 673190036 /nfs/dbraw/zinc/19/00/36/673190036.db2.gz AVFJJKGXILGMSX-XHDPSFHLSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001040301636 673190029 /nfs/dbraw/zinc/19/00/29/673190029.db2.gz CAYWRIUACQIVDM-HNNXBMFYSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001040301637 673190122 /nfs/dbraw/zinc/19/01/22/673190122.db2.gz CAYWRIUACQIVDM-OAHLLOKOSA-N 1 0 336.396 -1.396 20 0 EAADRO Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001040302085 673190477 /nfs/dbraw/zinc/19/04/77/673190477.db2.gz IJZZTQMCRKBZLE-DOMZBBRYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001040302086 673190449 /nfs/dbraw/zinc/19/04/49/673190449.db2.gz IJZZTQMCRKBZLE-IUODEOHRSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001040302087 673190414 /nfs/dbraw/zinc/19/04/14/673190414.db2.gz IJZZTQMCRKBZLE-SWLSCSKDSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001040302088 673190375 /nfs/dbraw/zinc/19/03/75/673190375.db2.gz IJZZTQMCRKBZLE-WFASDCNBSA-N 1 0 336.396 -1.398 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040302151 673190735 /nfs/dbraw/zinc/19/07/35/673190735.db2.gz JRAUMWAFRRSRRM-HNNXBMFYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040302152 673190617 /nfs/dbraw/zinc/19/06/17/673190617.db2.gz JRAUMWAFRRSRRM-OAHLLOKOSA-N 1 0 338.412 -1.152 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040302183 673190775 /nfs/dbraw/zinc/19/07/75/673190775.db2.gz KBDXWKOWTDWGLO-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040302184 673190643 /nfs/dbraw/zinc/19/06/43/673190643.db2.gz KBDXWKOWTDWGLO-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040302287 673190833 /nfs/dbraw/zinc/19/08/33/673190833.db2.gz KPSRXAIBVXIELN-DOMZBBRYSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040302288 673190682 /nfs/dbraw/zinc/19/06/82/673190682.db2.gz KPSRXAIBVXIELN-IUODEOHRSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040302289 673190793 /nfs/dbraw/zinc/19/07/93/673190793.db2.gz KPSRXAIBVXIELN-SWLSCSKDSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040302290 673190822 /nfs/dbraw/zinc/19/08/22/673190822.db2.gz KPSRXAIBVXIELN-WFASDCNBSA-N 1 0 338.412 -1.152 20 0 EAADRO Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001040302399 673191139 /nfs/dbraw/zinc/19/11/39/673191139.db2.gz LSGLIXQFGUKGDN-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001040302400 673191116 /nfs/dbraw/zinc/19/11/16/673191116.db2.gz LSGLIXQFGUKGDN-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040302669 673191163 /nfs/dbraw/zinc/19/11/63/673191163.db2.gz PDAWWYUVKAQWBC-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040302670 673191019 /nfs/dbraw/zinc/19/10/19/673191019.db2.gz PDAWWYUVKAQWBC-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040303144 669258183 /nfs/dbraw/zinc/25/81/83/669258183.db2.gz SRIKQWSRZBMXBU-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001040303154 669258249 /nfs/dbraw/zinc/25/82/49/669258249.db2.gz SRIKQWSRZBMXBU-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040303424 673191695 /nfs/dbraw/zinc/19/16/95/673191695.db2.gz VGZKBSOFLFYLAQ-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040303425 673191696 /nfs/dbraw/zinc/19/16/96/673191696.db2.gz VGZKBSOFLFYLAQ-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)cc1 ZINC001040304295 673191752 /nfs/dbraw/zinc/19/17/52/673191752.db2.gz DLBOCIWUXZRZQQ-KRWDZBQOSA-N 1 0 348.403 -1.073 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)cc1 ZINC001040304297 673191701 /nfs/dbraw/zinc/19/17/01/673191701.db2.gz DLBOCIWUXZRZQQ-QGZVFWFLSA-N 1 0 348.403 -1.073 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040309559 673192423 /nfs/dbraw/zinc/19/24/23/673192423.db2.gz NIJKBBRVPUEWFY-INIZCTEOSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040309560 673192306 /nfs/dbraw/zinc/19/23/06/673192306.db2.gz NIJKBBRVPUEWFY-MRXNPFEDSA-N 1 0 342.440 -1.068 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001040335946 669265112 /nfs/dbraw/zinc/26/51/12/669265112.db2.gz BHCMKPPHXCEPOT-CVEARBPZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001040335947 669265435 /nfs/dbraw/zinc/26/54/35/669265435.db2.gz BHCMKPPHXCEPOT-HOTGVXAUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001040335948 669265502 /nfs/dbraw/zinc/26/55/02/669265502.db2.gz BHCMKPPHXCEPOT-HZPDHXFCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001040335949 669265126 /nfs/dbraw/zinc/26/51/26/669265126.db2.gz BHCMKPPHXCEPOT-JKSUJKDBSA-N 1 0 340.424 -1.456 20 0 EAADRO NC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001040344004 673194446 /nfs/dbraw/zinc/19/44/46/673194446.db2.gz GTRGLROCUHQUKL-HNNXBMFYSA-N 1 0 338.408 -1.430 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001040344005 673194283 /nfs/dbraw/zinc/19/42/83/673194283.db2.gz GTRGLROCUHQUKL-OAHLLOKOSA-N 1 0 338.408 -1.430 20 0 EAADRO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040345773 673194624 /nfs/dbraw/zinc/19/46/24/673194624.db2.gz UEUGBLYQGXCYCB-BLLLJJGKSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040345774 673194590 /nfs/dbraw/zinc/19/45/90/673194590.db2.gz UEUGBLYQGXCYCB-LRDDRELGSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040345775 673194732 /nfs/dbraw/zinc/19/47/32/673194732.db2.gz UEUGBLYQGXCYCB-MLGOLLRUSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040345776 673194640 /nfs/dbraw/zinc/19/46/40/673194640.db2.gz UEUGBLYQGXCYCB-WBMJQRKESA-N 1 0 338.408 -1.574 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040349858 669274168 /nfs/dbraw/zinc/27/41/68/669274168.db2.gz ADEQCMVCICYQMM-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040349873 669274346 /nfs/dbraw/zinc/27/43/46/669274346.db2.gz ADEQCMVCICYQMM-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040349878 669274196 /nfs/dbraw/zinc/27/41/96/669274196.db2.gz ADEQCMVCICYQMM-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040349885 669274310 /nfs/dbraw/zinc/27/43/10/669274310.db2.gz ADEQCMVCICYQMM-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040349998 673194830 /nfs/dbraw/zinc/19/48/30/673194830.db2.gz ANSXODQOLWOCOP-HNNXBMFYSA-N 1 0 344.412 -2.220 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040350004 673194959 /nfs/dbraw/zinc/19/49/59/673194959.db2.gz ANSXODQOLWOCOP-OAHLLOKOSA-N 1 0 344.412 -2.220 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040350312 673195016 /nfs/dbraw/zinc/19/50/16/673195016.db2.gz CCDGGZUBIHVQCU-AWEZNQCLSA-N 1 0 340.384 -1.924 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040350313 673195011 /nfs/dbraw/zinc/19/50/11/673195011.db2.gz CCDGGZUBIHVQCU-CQSZACIVSA-N 1 0 340.384 -1.924 20 0 EAADRO CO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040350348 673195293 /nfs/dbraw/zinc/19/52/93/673195293.db2.gz CTPZGWBYCBDAPI-DOMZBBRYSA-N 1 0 331.413 -1.321 20 0 EAADRO CO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040350349 673195305 /nfs/dbraw/zinc/19/53/05/673195305.db2.gz CTPZGWBYCBDAPI-IUODEOHRSA-N 1 0 331.413 -1.321 20 0 EAADRO CO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040350350 673195247 /nfs/dbraw/zinc/19/52/47/673195247.db2.gz CTPZGWBYCBDAPI-SWLSCSKDSA-N 1 0 331.413 -1.321 20 0 EAADRO CO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040350351 673195142 /nfs/dbraw/zinc/19/51/42/673195142.db2.gz CTPZGWBYCBDAPI-WFASDCNBSA-N 1 0 331.413 -1.321 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 ZINC001040350695 673195185 /nfs/dbraw/zinc/19/51/85/673195185.db2.gz FDFSSGYKINRPTO-HNNXBMFYSA-N 1 0 339.396 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 ZINC001040350696 673195253 /nfs/dbraw/zinc/19/52/53/673195253.db2.gz FDFSSGYKINRPTO-OAHLLOKOSA-N 1 0 339.396 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 ZINC001040350714 673195327 /nfs/dbraw/zinc/19/53/27/673195327.db2.gz FLODNIJLLHXAGF-HNNXBMFYSA-N 1 0 339.396 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 ZINC001040350715 673195446 /nfs/dbraw/zinc/19/54/46/673195446.db2.gz FLODNIJLLHXAGF-OAHLLOKOSA-N 1 0 339.396 -1.319 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001040350716 673195297 /nfs/dbraw/zinc/19/52/97/673195297.db2.gz FNJQUIJAJCEYSX-ABAIWWIYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001040350718 673195441 /nfs/dbraw/zinc/19/54/41/673195441.db2.gz FNJQUIJAJCEYSX-IAQYHMDHSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001040350719 673195403 /nfs/dbraw/zinc/19/54/03/673195403.db2.gz FNJQUIJAJCEYSX-NHYWBVRUSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001040350720 673195283 /nfs/dbraw/zinc/19/52/83/673195283.db2.gz FNJQUIJAJCEYSX-XHDPSFHLSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040350725 673195399 /nfs/dbraw/zinc/19/53/99/673195399.db2.gz FOGZMYFRCHIUBA-AWEZNQCLSA-N 1 0 345.400 -2.688 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040350727 673195157 /nfs/dbraw/zinc/19/51/57/673195157.db2.gz FOGZMYFRCHIUBA-CQSZACIVSA-N 1 0 345.400 -2.688 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)CC(C)(C)O)C1 ZINC001040350962 669274146 /nfs/dbraw/zinc/27/41/46/669274146.db2.gz HYWWQGZQKIDLAZ-INIZCTEOSA-N 1 0 345.440 -1.195 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)CC(C)(C)O)C1 ZINC001040350964 669274052 /nfs/dbraw/zinc/27/40/52/669274052.db2.gz HYWWQGZQKIDLAZ-MRXNPFEDSA-N 1 0 345.440 -1.195 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001040350996 673195444 /nfs/dbraw/zinc/19/54/44/673195444.db2.gz ICADXNQADFPEIA-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001040350997 673195151 /nfs/dbraw/zinc/19/51/51/673195151.db2.gz ICADXNQADFPEIA-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001040350998 673195189 /nfs/dbraw/zinc/19/51/89/673195189.db2.gz ICADXNQADFPEIA-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001040351000 673195393 /nfs/dbraw/zinc/19/53/93/673195393.db2.gz ICADXNQADFPEIA-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO COC[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040351275 673195119 /nfs/dbraw/zinc/19/51/19/673195119.db2.gz JBGHOOCJOICKIK-BBRMVZONSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040351276 673195427 /nfs/dbraw/zinc/19/54/27/673195427.db2.gz JBGHOOCJOICKIK-CJNGLKHVSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040351278 673195391 /nfs/dbraw/zinc/19/53/91/673195391.db2.gz JBGHOOCJOICKIK-CZUORRHYSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040351279 669274038 /nfs/dbraw/zinc/27/40/38/669274038.db2.gz JBGHOOCJOICKIK-XJKSGUPXSA-N 1 0 345.440 -1.073 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040351533 669274890 /nfs/dbraw/zinc/27/48/90/669274890.db2.gz JZHQGBHLAHZACB-BBRMVZONSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001040351535 669274649 /nfs/dbraw/zinc/27/46/49/669274649.db2.gz JZHQGBHLAHZACB-CJNGLKHVSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001040351536 669274768 /nfs/dbraw/zinc/27/47/68/669274768.db2.gz JZHQGBHLAHZACB-CZUORRHYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040351538 669274903 /nfs/dbraw/zinc/27/49/03/669274903.db2.gz JZHQGBHLAHZACB-XJKSGUPXSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 ZINC001040351624 673195388 /nfs/dbraw/zinc/19/53/88/673195388.db2.gz KWWCRZJKLGNQMW-HNNXBMFYSA-N 1 0 340.380 -1.054 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 ZINC001040351625 673195346 /nfs/dbraw/zinc/19/53/46/673195346.db2.gz KWWCRZJKLGNQMW-OAHLLOKOSA-N 1 0 340.380 -1.054 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 ZINC001040351696 669274989 /nfs/dbraw/zinc/27/49/89/669274989.db2.gz LIBCBLYCDAKLRL-HNNXBMFYSA-N 1 0 340.380 -1.054 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 ZINC001040351698 669274700 /nfs/dbraw/zinc/27/47/00/669274700.db2.gz LIBCBLYCDAKLRL-OAHLLOKOSA-N 1 0 340.380 -1.054 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001040351765 669274952 /nfs/dbraw/zinc/27/49/52/669274952.db2.gz MGBQMXNBFNYHGE-BBRMVZONSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 ZINC001040351768 669274618 /nfs/dbraw/zinc/27/46/18/669274618.db2.gz MGBQMXNBFNYHGE-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 ZINC001040351769 669274786 /nfs/dbraw/zinc/27/47/86/669274786.db2.gz MGBQMXNBFNYHGE-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001040351771 669274688 /nfs/dbraw/zinc/27/46/88/669274688.db2.gz MGBQMXNBFNYHGE-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 ZINC001040352230 669275286 /nfs/dbraw/zinc/27/52/86/669275286.db2.gz QZMSAQDJEQFIBJ-AWEZNQCLSA-N 1 0 341.368 -1.659 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 ZINC001040352231 669275392 /nfs/dbraw/zinc/27/53/92/669275392.db2.gz QZMSAQDJEQFIBJ-CQSZACIVSA-N 1 0 341.368 -1.659 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 ZINC001040352278 673195111 /nfs/dbraw/zinc/19/51/11/673195111.db2.gz RXZNQSIFEUPGIX-BBRMVZONSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001040352279 673195137 /nfs/dbraw/zinc/19/51/37/673195137.db2.gz RXZNQSIFEUPGIX-CJNGLKHVSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001040352280 673195213 /nfs/dbraw/zinc/19/52/13/673195213.db2.gz RXZNQSIFEUPGIX-CZUORRHYSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 ZINC001040352281 673195425 /nfs/dbraw/zinc/19/54/25/673195425.db2.gz RXZNQSIFEUPGIX-XJKSGUPXSA-N 1 0 343.424 -1.319 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001040352286 673195435 /nfs/dbraw/zinc/19/54/35/673195435.db2.gz RZDLEJWQNIUWPW-ABAIWWIYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001040352287 673195382 /nfs/dbraw/zinc/19/53/82/673195382.db2.gz RZDLEJWQNIUWPW-IAQYHMDHSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001040352288 673195315 /nfs/dbraw/zinc/19/53/15/673195315.db2.gz RZDLEJWQNIUWPW-NHYWBVRUSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001040352289 673195161 /nfs/dbraw/zinc/19/51/61/673195161.db2.gz RZDLEJWQNIUWPW-XHDPSFHLSA-N 1 0 341.412 -1.924 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 ZINC001040352292 673195353 /nfs/dbraw/zinc/19/53/53/673195353.db2.gz RZZWJHNJBQTIQF-HNNXBMFYSA-N 1 0 340.380 -1.054 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 ZINC001040352293 673195443 /nfs/dbraw/zinc/19/54/43/673195443.db2.gz RZZWJHNJBQTIQF-OAHLLOKOSA-N 1 0 340.380 -1.054 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001040352368 673195201 /nfs/dbraw/zinc/19/52/01/673195201.db2.gz UIVDVVRZZCZHKG-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001040352369 673195145 /nfs/dbraw/zinc/19/51/45/673195145.db2.gz UIVDVVRZZCZHKG-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001040352370 673195421 /nfs/dbraw/zinc/19/54/21/673195421.db2.gz UIVDVVRZZCZHKG-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001040352371 673195415 /nfs/dbraw/zinc/19/54/15/673195415.db2.gz UIVDVVRZZCZHKG-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040352410 673195260 /nfs/dbraw/zinc/19/52/60/673195260.db2.gz UWUJPRMFTUGGCN-AWEZNQCLSA-N 1 0 340.384 -1.924 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040352411 673195434 /nfs/dbraw/zinc/19/54/34/673195434.db2.gz UWUJPRMFTUGGCN-CQSZACIVSA-N 1 0 340.384 -1.924 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352536 673195379 /nfs/dbraw/zinc/19/53/79/673195379.db2.gz WSMYWGYTNLMRQD-GDBMZVCRSA-N 1 0 345.440 -1.339 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352537 673195131 /nfs/dbraw/zinc/19/51/31/673195131.db2.gz WSMYWGYTNLMRQD-ZBFHGGJFSA-N 1 0 345.440 -1.339 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040352582 673195439 /nfs/dbraw/zinc/19/54/39/673195439.db2.gz XDQBXSLWOOFACE-AWEZNQCLSA-N 1 0 330.385 -2.480 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040352583 673195580 /nfs/dbraw/zinc/19/55/80/673195580.db2.gz XDQBXSLWOOFACE-CQSZACIVSA-N 1 0 330.385 -2.480 20 0 EAADRO COCCC(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352604 669275924 /nfs/dbraw/zinc/27/59/24/669275924.db2.gz XNHOIODEKQGHAH-HNNXBMFYSA-N 1 0 331.413 -1.319 20 0 EAADRO COCCC(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352605 669275878 /nfs/dbraw/zinc/27/58/78/669275878.db2.gz XNHOIODEKQGHAH-OAHLLOKOSA-N 1 0 331.413 -1.319 20 0 EAADRO CCOCC(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352628 673195524 /nfs/dbraw/zinc/19/55/24/673195524.db2.gz XVRYCIQKPRUOPX-HNNXBMFYSA-N 1 0 331.413 -1.319 20 0 EAADRO CCOCC(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352629 673195605 /nfs/dbraw/zinc/19/56/05/673195605.db2.gz XVRYCIQKPRUOPX-OAHLLOKOSA-N 1 0 331.413 -1.319 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352688 673195639 /nfs/dbraw/zinc/19/56/39/673195639.db2.gz YRUZSPPWYVRLHV-HNNXBMFYSA-N 1 0 344.412 -2.220 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001040352689 673195567 /nfs/dbraw/zinc/19/55/67/673195567.db2.gz YRUZSPPWYVRLHV-OAHLLOKOSA-N 1 0 344.412 -2.220 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 ZINC001040352750 673195762 /nfs/dbraw/zinc/19/57/62/673195762.db2.gz ZTTFEFNHAVSYOP-HNNXBMFYSA-N 1 0 339.396 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 ZINC001040352751 673195658 /nfs/dbraw/zinc/19/56/58/673195658.db2.gz ZTTFEFNHAVSYOP-OAHLLOKOSA-N 1 0 339.396 -1.319 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040353934 673195686 /nfs/dbraw/zinc/19/56/86/673195686.db2.gz FRCWIUIGXZPLHU-HNNXBMFYSA-N 1 0 339.396 -2.170 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040353935 673195619 /nfs/dbraw/zinc/19/56/19/673195619.db2.gz FRCWIUIGXZPLHU-OAHLLOKOSA-N 1 0 339.396 -2.170 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040354154 673195595 /nfs/dbraw/zinc/19/55/95/673195595.db2.gz IGHVQAOPMPAQPO-INIZCTEOSA-N 1 0 338.408 -1.702 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040354155 673195747 /nfs/dbraw/zinc/19/57/47/673195747.db2.gz IGHVQAOPMPAQPO-MRXNPFEDSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040354920 673196039 /nfs/dbraw/zinc/19/60/39/673196039.db2.gz POWVRTCJXIPMAZ-HNNXBMFYSA-N 1 0 349.395 -2.152 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040354922 673196088 /nfs/dbraw/zinc/19/60/88/673196088.db2.gz POWVRTCJXIPMAZ-OAHLLOKOSA-N 1 0 349.395 -2.152 20 0 EAADRO Cn1cncc1CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040355145 669279612 /nfs/dbraw/zinc/27/96/12/669279612.db2.gz URKLXNKEMWMMBS-INIZCTEOSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040355150 669279335 /nfs/dbraw/zinc/27/93/35/669279335.db2.gz URKLXNKEMWMMBS-MRXNPFEDSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040355461 673195921 /nfs/dbraw/zinc/19/59/21/673195921.db2.gz WFZROCQBMLHVAF-CXAGYDPISA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040355463 673196117 /nfs/dbraw/zinc/19/61/17/673196117.db2.gz WFZROCQBMLHVAF-DYVFJYSZSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040355465 673195985 /nfs/dbraw/zinc/19/59/85/673195985.db2.gz WFZROCQBMLHVAF-GUYCJALGSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040355466 673196008 /nfs/dbraw/zinc/19/60/08/673196008.db2.gz WFZROCQBMLHVAF-SUMWQHHRSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001040356658 673195900 /nfs/dbraw/zinc/19/59/00/673195900.db2.gz KKPFQDOGUFSGMF-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001040356659 673196108 /nfs/dbraw/zinc/19/61/08/673196108.db2.gz KKPFQDOGUFSGMF-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040356677 673196033 /nfs/dbraw/zinc/19/60/33/673196033.db2.gz KRIMWSYXXVZMQZ-INIZCTEOSA-N 1 0 348.407 -1.547 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040356679 673196116 /nfs/dbraw/zinc/19/61/16/673196116.db2.gz KRIMWSYXXVZMQZ-MRXNPFEDSA-N 1 0 348.407 -1.547 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040357529 673196143 /nfs/dbraw/zinc/19/61/43/673196143.db2.gz PXLPLWRKVJMTPP-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040357530 673195971 /nfs/dbraw/zinc/19/59/71/673195971.db2.gz PXLPLWRKVJMTPP-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357609 673196110 /nfs/dbraw/zinc/19/61/10/673196110.db2.gz RPIVQRHQBMIAES-INIZCTEOSA-N 1 0 348.407 -1.098 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357610 673195956 /nfs/dbraw/zinc/19/59/56/673195956.db2.gz RPIVQRHQBMIAES-MRXNPFEDSA-N 1 0 348.407 -1.098 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040357663 673195904 /nfs/dbraw/zinc/19/59/04/673195904.db2.gz AMZAMOMADVTZNT-INIZCTEOSA-N 1 0 349.391 -1.284 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040357664 673196129 /nfs/dbraw/zinc/19/61/29/673196129.db2.gz AMZAMOMADVTZNT-MRXNPFEDSA-N 1 0 349.391 -1.284 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001040357665 673196113 /nfs/dbraw/zinc/19/61/13/673196113.db2.gz ANRKIHORAIIBDM-NHYWBVRUSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001040357666 669280374 /nfs/dbraw/zinc/28/03/74/669280374.db2.gz ANRKIHORAIIBDM-XHDPSFHLSA-N 1 0 338.412 -1.152 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040357667 673195940 /nfs/dbraw/zinc/19/59/40/673195940.db2.gz AQQGOMPYQNEYNX-HNNXBMFYSA-N 1 0 335.364 -1.674 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040357668 673196043 /nfs/dbraw/zinc/19/60/43/673196043.db2.gz AQQGOMPYQNEYNX-OAHLLOKOSA-N 1 0 335.364 -1.674 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(=O)N(C)C)C1)[NH+](C)C ZINC001040357709 673196060 /nfs/dbraw/zinc/19/60/60/673196060.db2.gz BKOKNUQCESIWSY-BLLLJJGKSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)N(C)C)C1)[NH+](C)C ZINC001040357710 673196133 /nfs/dbraw/zinc/19/61/33/673196133.db2.gz BKOKNUQCESIWSY-LRDDRELGSA-N 1 0 342.440 -1.116 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040357872 673196026 /nfs/dbraw/zinc/19/60/26/673196026.db2.gz SPGDOWOHCBQBHR-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040357874 673195895 /nfs/dbraw/zinc/19/58/95/673195895.db2.gz SPGDOWOHCBQBHR-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2cnon2)C1)C12CC[NH+](CC1)C2 ZINC001040357883 673196049 /nfs/dbraw/zinc/19/60/49/673196049.db2.gz SUALFRCKRRCYPG-HNNXBMFYSA-N 1 0 335.364 -1.141 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)c2cnon2)C1)C12CC[NH+](CC1)C2 ZINC001040357890 673196069 /nfs/dbraw/zinc/19/60/69/673196069.db2.gz SUALFRCKRRCYPG-OAHLLOKOSA-N 1 0 335.364 -1.141 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357892 673196450 /nfs/dbraw/zinc/19/64/50/673196450.db2.gz SXHOBHLJRFYBAQ-HNNXBMFYSA-N 1 0 349.395 -2.152 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357894 673196399 /nfs/dbraw/zinc/19/63/99/673196399.db2.gz SXHOBHLJRFYBAQ-OAHLLOKOSA-N 1 0 349.395 -2.152 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001040357896 673196301 /nfs/dbraw/zinc/19/63/01/673196301.db2.gz SYKAAUJNJUFMNT-HNNXBMFYSA-N 1 0 334.380 -1.406 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001040357898 673196291 /nfs/dbraw/zinc/19/62/91/673196291.db2.gz SYKAAUJNJUFMNT-OAHLLOKOSA-N 1 0 334.380 -1.406 20 0 EAADRO O=C(Cn1nccn1)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357920 673196487 /nfs/dbraw/zinc/19/64/87/673196487.db2.gz TVJUVQYTOPGYRE-INIZCTEOSA-N 1 0 348.407 -1.547 20 0 EAADRO O=C(Cn1nccn1)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357922 673196311 /nfs/dbraw/zinc/19/63/11/673196311.db2.gz TVJUVQYTOPGYRE-MRXNPFEDSA-N 1 0 348.407 -1.547 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357942 673196545 /nfs/dbraw/zinc/19/65/45/673196545.db2.gz TXOLYYZOFIMKDK-INIZCTEOSA-N 1 0 338.408 -1.702 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357945 673196368 /nfs/dbraw/zinc/19/63/68/673196368.db2.gz TXOLYYZOFIMKDK-MRXNPFEDSA-N 1 0 338.408 -1.702 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1)[NH+](C)C ZINC001040358026 673196428 /nfs/dbraw/zinc/19/64/28/673196428.db2.gz CWASAYCXZQNSAI-SWLSCSKDSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1)[NH+](C)C ZINC001040358027 673196411 /nfs/dbraw/zinc/19/64/11/673196411.db2.gz CWASAYCXZQNSAI-WFASDCNBSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040358036 673196539 /nfs/dbraw/zinc/19/65/39/673196539.db2.gz DAJDUZUOMGIWPC-HZMBPMFUSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040358037 673196493 /nfs/dbraw/zinc/19/64/93/673196493.db2.gz DAJDUZUOMGIWPC-IINYFYTJSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cnnn2C)C1)[NH+](C)C ZINC001040358256 673196344 /nfs/dbraw/zinc/19/63/44/673196344.db2.gz DQGQUDDRDFJWSD-NHYWBVRUSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cnnn2C)C1)[NH+](C)C ZINC001040358257 673196489 /nfs/dbraw/zinc/19/64/89/673196489.db2.gz DQGQUDDRDFJWSD-XHDPSFHLSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001040358264 669280428 /nfs/dbraw/zinc/28/04/28/669280428.db2.gz DYTOQLHZVWGECK-FZMZJTMJSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001040358265 669280245 /nfs/dbraw/zinc/28/02/45/669280245.db2.gz DYTOQLHZVWGECK-SMDDNHRTSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001040358281 673196305 /nfs/dbraw/zinc/19/63/05/673196305.db2.gz FCJOWICKHCAXHR-SWLSCSKDSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001040358282 673196337 /nfs/dbraw/zinc/19/63/37/673196337.db2.gz FCJOWICKHCAXHR-WFASDCNBSA-N 1 0 328.413 -1.458 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040358339 673196509 /nfs/dbraw/zinc/19/65/09/673196509.db2.gz VOFNFLOSGHTQBW-INIZCTEOSA-N 1 0 348.407 -1.477 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040358344 673196453 /nfs/dbraw/zinc/19/64/53/673196453.db2.gz VOFNFLOSGHTQBW-MRXNPFEDSA-N 1 0 348.407 -1.477 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001040358362 673196550 /nfs/dbraw/zinc/19/65/50/673196550.db2.gz GSJTXAYJOMYXGQ-BBRMVZONSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001040358364 673196499 /nfs/dbraw/zinc/19/64/99/673196499.db2.gz GSJTXAYJOMYXGQ-XJKSGUPXSA-N 1 0 342.440 -1.116 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040358442 673196506 /nfs/dbraw/zinc/19/65/06/673196506.db2.gz WYFBRTMSYLWFQR-HNNXBMFYSA-N 1 0 349.395 -2.001 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@](O)(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040358443 673196331 /nfs/dbraw/zinc/19/63/31/673196331.db2.gz WYFBRTMSYLWFQR-OAHLLOKOSA-N 1 0 349.395 -2.001 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040358616 673196378 /nfs/dbraw/zinc/19/63/78/673196378.db2.gz IBIZDSNXJXVRQL-SWLSCSKDSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040358618 673196296 /nfs/dbraw/zinc/19/62/96/673196296.db2.gz IBIZDSNXJXVRQL-WFASDCNBSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040358625 673196353 /nfs/dbraw/zinc/19/63/53/673196353.db2.gz ICHBPZONBKJRFT-HZMBPMFUSA-N 1 0 329.401 -1.926 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040358627 673196514 /nfs/dbraw/zinc/19/65/14/673196514.db2.gz ICHBPZONBKJRFT-IINYFYTJSA-N 1 0 329.401 -1.926 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001040358687 673196485 /nfs/dbraw/zinc/19/64/85/673196485.db2.gz ISUULADMOHNGNR-SWLSCSKDSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001040358690 673196443 /nfs/dbraw/zinc/19/64/43/673196443.db2.gz ISUULADMOHNGNR-WFASDCNBSA-N 1 0 338.412 -1.152 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001040358721 673196302 /nfs/dbraw/zinc/19/63/02/673196302.db2.gz YIFCGLZJFJRDCM-HNNXBMFYSA-N 1 0 334.380 -1.406 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001040358725 673196391 /nfs/dbraw/zinc/19/63/91/673196391.db2.gz YIFCGLZJFJRDCM-OAHLLOKOSA-N 1 0 334.380 -1.406 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040358785 673196317 /nfs/dbraw/zinc/19/63/17/673196317.db2.gz YTIZWYMWFKXWDD-INIZCTEOSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040358787 673196483 /nfs/dbraw/zinc/19/64/83/673196483.db2.gz YTIZWYMWFKXWDD-MRXNPFEDSA-N 1 0 348.407 -1.396 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001040359117 673196533 /nfs/dbraw/zinc/19/65/33/673196533.db2.gz JPOCVHSENBNAJT-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001040359118 673196383 /nfs/dbraw/zinc/19/63/83/673196383.db2.gz JPOCVHSENBNAJT-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040359671 673196518 /nfs/dbraw/zinc/19/65/18/673196518.db2.gz PJQLDFMILSJNCV-MEDUHNTESA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001040359672 673196321 /nfs/dbraw/zinc/19/63/21/673196321.db2.gz PJQLDFMILSJNCV-ZBEGNZNMSA-N 1 0 342.440 -1.082 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040359701 673196361 /nfs/dbraw/zinc/19/63/61/673196361.db2.gz PUODWPYPXQFURA-BLLLJJGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040359704 673196476 /nfs/dbraw/zinc/19/64/76/673196476.db2.gz PUODWPYPXQFURA-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040359781 673196326 /nfs/dbraw/zinc/19/63/26/673196326.db2.gz QPQYKNQTIWYSEV-BLLLJJGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040359782 673196466 /nfs/dbraw/zinc/19/64/66/673196466.db2.gz QPQYKNQTIWYSEV-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040359869 673196406 /nfs/dbraw/zinc/19/64/06/673196406.db2.gz RIYKMNFLOFQZRM-SWLSCSKDSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001040359871 673196557 /nfs/dbraw/zinc/19/65/57/673196557.db2.gz RIYKMNFLOFQZRM-WFASDCNBSA-N 1 0 338.412 -1.152 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001040359907 673196434 /nfs/dbraw/zinc/19/64/34/673196434.db2.gz RMWODMJSLUFICY-NHYWBVRUSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001040359908 673196470 /nfs/dbraw/zinc/19/64/70/673196470.db2.gz RMWODMJSLUFICY-XHDPSFHLSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001040359911 673196416 /nfs/dbraw/zinc/19/64/16/673196416.db2.gz RQKJXDORNOTAEB-FZMZJTMJSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001040359912 673196395 /nfs/dbraw/zinc/19/63/95/673196395.db2.gz RQKJXDORNOTAEB-SMDDNHRTSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001040359957 673196843 /nfs/dbraw/zinc/19/68/43/673196843.db2.gz SVZIUMBWGKSLTK-FZMZJTMJSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001040359958 673196692 /nfs/dbraw/zinc/19/66/92/673196692.db2.gz SVZIUMBWGKSLTK-SMDDNHRTSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1)[NH+](C)C ZINC001040359961 673196762 /nfs/dbraw/zinc/19/67/62/673196762.db2.gz SYWNMPJBSWPXMW-NHYWBVRUSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1)[NH+](C)C ZINC001040359962 673196715 /nfs/dbraw/zinc/19/67/15/673196715.db2.gz SYWNMPJBSWPXMW-XHDPSFHLSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040360251 673196720 /nfs/dbraw/zinc/19/67/20/673196720.db2.gz VJOAWNKRRHPLJE-NHYWBVRUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040360252 673196730 /nfs/dbraw/zinc/19/67/30/673196730.db2.gz VJOAWNKRRHPLJE-XHDPSFHLSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)NC)C1)[NH+](C)C ZINC001040360554 673196779 /nfs/dbraw/zinc/19/67/79/673196779.db2.gz YAFPJLQFOICPCC-NHYWBVRUSA-N 1 0 343.428 -1.665 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)NC)C1)[NH+](C)C ZINC001040360556 673196794 /nfs/dbraw/zinc/19/67/94/673196794.db2.gz YAFPJLQFOICPCC-XHDPSFHLSA-N 1 0 343.428 -1.665 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)OC)C1)[NH+](C)C ZINC001040360700 673196852 /nfs/dbraw/zinc/19/68/52/673196852.db2.gz ZEIOHFYWMNHXOJ-NHYWBVRUSA-N 1 0 344.412 -1.238 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)OC)C1)[NH+](C)C ZINC001040360701 673196883 /nfs/dbraw/zinc/19/68/83/673196883.db2.gz ZEIOHFYWMNHXOJ-XHDPSFHLSA-N 1 0 344.412 -1.238 20 0 EAADRO NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC001040364769 673197138 /nfs/dbraw/zinc/19/71/38/673197138.db2.gz MSSVBSDFBIEGPF-INIZCTEOSA-N 1 0 338.408 -1.355 20 0 EAADRO NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC001040364770 673197246 /nfs/dbraw/zinc/19/72/46/673197246.db2.gz MSSVBSDFBIEGPF-MRXNPFEDSA-N 1 0 338.408 -1.355 20 0 EAADRO C[NH+](C)C1(CC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CCCC1 ZINC001040365677 673197109 /nfs/dbraw/zinc/19/71/09/673197109.db2.gz XUHGLLYMLMJUIQ-INIZCTEOSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)C1(CC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CCCC1 ZINC001040365678 673197126 /nfs/dbraw/zinc/19/71/26/673197126.db2.gz XUHGLLYMLMJUIQ-MRXNPFEDSA-N 1 0 340.424 -1.184 20 0 EAADRO NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001040371974 673197160 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NC(=O)C(=O)N1CC[C@](O)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001040399038 673199263 /nfs/dbraw/zinc/19/92/63/673199263.db2.gz GMIYDCDRZVNZQO-HNNXBMFYSA-N 1 0 331.332 -1.487 20 0 EAADRO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001040399039 673199355 /nfs/dbraw/zinc/19/93/55/673199355.db2.gz GMIYDCDRZVNZQO-OAHLLOKOSA-N 1 0 331.332 -1.487 20 0 EAADRO NC(=O)CC(=O)N1CC[C@](O)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001040402016 673199716 /nfs/dbraw/zinc/19/97/16/673199716.db2.gz WVFOAGGLNSLFSW-INIZCTEOSA-N 1 0 345.359 -1.097 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001040402017 673199780 /nfs/dbraw/zinc/19/97/80/673199780.db2.gz WVFOAGGLNSLFSW-MRXNPFEDSA-N 1 0 345.359 -1.097 20 0 EAADRO C[NH+](C)CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040429749 673200383 /nfs/dbraw/zinc/20/03/83/673200383.db2.gz JVNJSOPQGSUAID-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040429750 673200244 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C[NH+](C)CCCCC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040432798 673200249 /nfs/dbraw/zinc/20/02/49/673200249.db2.gz XOWWKTWQUBNTKP-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040438344 673201200 /nfs/dbraw/zinc/20/12/00/673201200.db2.gz CPBQQJJEXZNMSW-BLLLJJGKSA-N 1 0 338.408 -1.560 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040438347 673201328 /nfs/dbraw/zinc/20/13/28/673201328.db2.gz CPBQQJJEXZNMSW-LRDDRELGSA-N 1 0 338.408 -1.560 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040438574 673201346 /nfs/dbraw/zinc/20/13/46/673201346.db2.gz AJYUGWHYMPEBEO-DOMZBBRYSA-N 1 0 343.428 -1.680 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001040438575 669844638 /nfs/dbraw/zinc/84/46/38/669844638.db2.gz AJYUGWHYMPEBEO-IUODEOHRSA-N 1 0 343.428 -1.680 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040438975 673201795 /nfs/dbraw/zinc/20/17/95/673201795.db2.gz HOMGYZPGNHGVEM-NHYWBVRUSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040438976 673201678 /nfs/dbraw/zinc/20/16/78/673201678.db2.gz HOMGYZPGNHGVEM-XHDPSFHLSA-N 1 0 326.397 -1.704 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001040439131 673201699 /nfs/dbraw/zinc/20/16/99/673201699.db2.gz FZRWTPHAQVLOIK-GDBMZVCRSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001040439132 673201671 /nfs/dbraw/zinc/20/16/71/673201671.db2.gz FZRWTPHAQVLOIK-ZBFHGGJFSA-N 1 0 342.440 -1.212 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040439211 673201608 /nfs/dbraw/zinc/20/16/08/673201608.db2.gz IEACFZAMPBVEEI-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040439212 673201745 /nfs/dbraw/zinc/20/17/45/673201745.db2.gz IEACFZAMPBVEEI-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040439729 673201691 /nfs/dbraw/zinc/20/16/91/673201691.db2.gz MGUAFEAVWFGBSL-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040439731 673201785 /nfs/dbraw/zinc/20/17/85/673201785.db2.gz MGUAFEAVWFGBSL-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040440112 673201949 /nfs/dbraw/zinc/20/19/49/673201949.db2.gz OMYNQCASLUXSCJ-HWWQOWPSSA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040440114 673202115 /nfs/dbraw/zinc/20/21/15/673202115.db2.gz OMYNQCASLUXSCJ-OZVIIMIRSA-N 1 0 338.408 -1.561 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040441097 673202013 /nfs/dbraw/zinc/20/20/13/673202013.db2.gz UESZJURSIIMMGH-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040441099 673202186 /nfs/dbraw/zinc/20/21/86/673202186.db2.gz UESZJURSIIMMGH-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040441116 673202155 /nfs/dbraw/zinc/20/21/55/673202155.db2.gz UJKFGALWFSCDMI-BLLLJJGKSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040441118 673202063 /nfs/dbraw/zinc/20/20/63/673202063.db2.gz UJKFGALWFSCDMI-LRDDRELGSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040441384 673202489 /nfs/dbraw/zinc/20/24/89/673202489.db2.gz WIXUVABXQIKXRY-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040441385 673202293 /nfs/dbraw/zinc/20/22/93/673202293.db2.gz WIXUVABXQIKXRY-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040441406 673202339 /nfs/dbraw/zinc/20/23/39/673202339.db2.gz WXNRQHVMWWAEMP-HWWQOWPSSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040441407 673202272 /nfs/dbraw/zinc/20/22/72/673202272.db2.gz WXNRQHVMWWAEMP-MKBNYLNASA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040441408 673202314 /nfs/dbraw/zinc/20/23/14/673202314.db2.gz WXNRQHVMWWAEMP-MQIPJXDCSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040441409 673202414 /nfs/dbraw/zinc/20/24/14/673202414.db2.gz WXNRQHVMWWAEMP-OZVIIMIRSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1)[NH+](C)C ZINC001040441967 673202450 /nfs/dbraw/zinc/20/24/50/673202450.db2.gz SAYGCWISMALEGX-HIFRSBDPSA-N 1 0 328.413 -1.472 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1)[NH+](C)C ZINC001040441969 673202319 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CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001040452169 669853251 /nfs/dbraw/zinc/85/32/51/669853251.db2.gz WUZQOFRXEADOIH-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001040456429 673203652 /nfs/dbraw/zinc/20/36/52/673203652.db2.gz AZJOTLWMQDBHTL-HOTGVXAUSA-N 1 0 348.407 -1.016 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001040458943 673204305 /nfs/dbraw/zinc/20/43/05/673204305.db2.gz SZLAJTDHUMKSBH-HOTGVXAUSA-N 1 0 348.407 -1.016 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040466225 673205401 /nfs/dbraw/zinc/20/54/01/673205401.db2.gz GOXICLXWQCAXOG-INIZCTEOSA-N 1 0 348.407 -1.098 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040466226 673205403 /nfs/dbraw/zinc/20/54/03/673205403.db2.gz GOXICLXWQCAXOG-MRXNPFEDSA-N 1 0 348.407 -1.098 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040468103 673205861 /nfs/dbraw/zinc/20/58/61/673205861.db2.gz VOYAHHPRJZJPCD-ABAIWWIYSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040468104 673205719 /nfs/dbraw/zinc/20/57/19/673205719.db2.gz VOYAHHPRJZJPCD-IAQYHMDHSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001040468105 673205766 /nfs/dbraw/zinc/20/57/66/673205766.db2.gz VOYAHHPRJZJPCD-NHYWBVRUSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001040468106 673205830 /nfs/dbraw/zinc/20/58/30/673205830.db2.gz VOYAHHPRJZJPCD-XHDPSFHLSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040468189 673206211 /nfs/dbraw/zinc/20/62/11/673206211.db2.gz WRNHYIOXJHHWHK-ABAIWWIYSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040468190 673206103 /nfs/dbraw/zinc/20/61/03/673206103.db2.gz WRNHYIOXJHHWHK-IAQYHMDHSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040468191 673206039 /nfs/dbraw/zinc/20/60/39/673206039.db2.gz WRNHYIOXJHHWHK-NHYWBVRUSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040468192 673206169 /nfs/dbraw/zinc/20/61/69/673206169.db2.gz WRNHYIOXJHHWHK-XHDPSFHLSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040468441 673206098 /nfs/dbraw/zinc/20/60/98/673206098.db2.gz ZEIDFLBHBZZUIW-HNNXBMFYSA-N 1 0 336.396 -1.098 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040468443 673206129 /nfs/dbraw/zinc/20/61/29/673206129.db2.gz ZEIDFLBHBZZUIW-OAHLLOKOSA-N 1 0 336.396 -1.098 20 0 EAADRO CC(C)(C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040472169 673206476 /nfs/dbraw/zinc/20/64/76/673206476.db2.gz FEBBJGPCVJRJSI-HNNXBMFYSA-N 1 0 326.397 -1.574 20 0 EAADRO CC(C)(C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040472170 673206408 /nfs/dbraw/zinc/20/64/08/673206408.db2.gz FEBBJGPCVJRJSI-OAHLLOKOSA-N 1 0 326.397 -1.574 20 0 EAADRO CC(C)(C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001040472782 673206413 /nfs/dbraw/zinc/20/64/13/673206413.db2.gz JBBUSSFKRARHFH-INIZCTEOSA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)(C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001040472783 673206288 /nfs/dbraw/zinc/20/62/88/673206288.db2.gz JBBUSSFKRARHFH-MRXNPFEDSA-N 1 0 340.424 -1.184 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001040479989 673207890 /nfs/dbraw/zinc/20/78/90/673207890.db2.gz DLBPGBOKVKTPFG-BLLLJJGKSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001040479992 673207784 /nfs/dbraw/zinc/20/77/84/673207784.db2.gz DLBPGBOKVKTPFG-LRDDRELGSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001040479995 673207792 /nfs/dbraw/zinc/20/77/92/673207792.db2.gz DLBPGBOKVKTPFG-MLGOLLRUSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001040479998 673207882 /nfs/dbraw/zinc/20/78/82/673207882.db2.gz DLBPGBOKVKTPFG-WBMJQRKESA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040481140 669893579 /nfs/dbraw/zinc/89/35/79/669893579.db2.gz HYYBSSYSOBUTIP-BLLLJJGKSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040481144 669893503 /nfs/dbraw/zinc/89/35/03/669893503.db2.gz HYYBSSYSOBUTIP-LRDDRELGSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040481145 669893704 /nfs/dbraw/zinc/89/37/04/669893704.db2.gz HYYBSSYSOBUTIP-MLGOLLRUSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040481146 669893591 /nfs/dbraw/zinc/89/35/91/669893591.db2.gz HYYBSSYSOBUTIP-WBMJQRKESA-N 1 0 342.440 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ZINC001040481739 673208650 /nfs/dbraw/zinc/20/86/50/673208650.db2.gz LUBJZUUZXMXMNJ-WBMJQRKESA-N 1 0 342.440 -1.081 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001040481784 673208841 /nfs/dbraw/zinc/20/88/41/673208841.db2.gz MHBHEFMCEUPDHZ-BLLLJJGKSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001040481785 673208794 /nfs/dbraw/zinc/20/87/94/673208794.db2.gz MHBHEFMCEUPDHZ-LRDDRELGSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040481786 673208656 /nfs/dbraw/zinc/20/86/56/673208656.db2.gz MHBHEFMCEUPDHZ-MLGOLLRUSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040481787 673208662 /nfs/dbraw/zinc/20/86/62/673208662.db2.gz MHBHEFMCEUPDHZ-WBMJQRKESA-N 1 0 338.408 -1.702 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040481946 673209065 /nfs/dbraw/zinc/20/90/65/673209065.db2.gz 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CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040482629 673209499 /nfs/dbraw/zinc/20/94/99/673209499.db2.gz RYSNPJNWBCIVQV-MLGOLLRUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040482630 673209432 /nfs/dbraw/zinc/20/94/32/673209432.db2.gz RYSNPJNWBCIVQV-WBMJQRKESA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001040482845 673209634 /nfs/dbraw/zinc/20/96/34/673209634.db2.gz VVGBUSNWXJUKPS-BLLLJJGKSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001040482846 669894416 /nfs/dbraw/zinc/89/44/16/669894416.db2.gz VVGBUSNWXJUKPS-LRDDRELGSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001040482849 669894348 /nfs/dbraw/zinc/89/43/48/669894348.db2.gz VVGBUSNWXJUKPS-MLGOLLRUSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001040482850 669894270 /nfs/dbraw/zinc/89/42/70/669894270.db2.gz VVGBUSNWXJUKPS-WBMJQRKESA-N 1 0 342.440 -1.082 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001040483257 673209729 /nfs/dbraw/zinc/20/97/29/673209729.db2.gz XOKKVCIHAZXKGC-BLLLJJGKSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001040483258 669894899 /nfs/dbraw/zinc/89/48/99/669894899.db2.gz XOKKVCIHAZXKGC-LRDDRELGSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001040483259 669894945 /nfs/dbraw/zinc/89/49/45/669894945.db2.gz XOKKVCIHAZXKGC-MLGOLLRUSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001040483260 669894716 /nfs/dbraw/zinc/89/47/16/669894716.db2.gz XOKKVCIHAZXKGC-WBMJQRKESA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001040483373 669895072 /nfs/dbraw/zinc/89/50/72/669895072.db2.gz YXJASWGXVDQYNB-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001040483374 669894925 /nfs/dbraw/zinc/89/49/25/669894925.db2.gz YXJASWGXVDQYNB-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040483377 669894904 /nfs/dbraw/zinc/89/49/04/669894904.db2.gz YXJASWGXVDQYNB-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040483380 669895488 /nfs/dbraw/zinc/89/54/88/669895488.db2.gz YXJASWGXVDQYNB-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040483612 669895461 /nfs/dbraw/zinc/89/54/61/669895461.db2.gz ZQPPLLYFLDAKFJ-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040483613 669895268 /nfs/dbraw/zinc/89/52/68/669895268.db2.gz ZQPPLLYFLDAKFJ-LRDDRELGSA-N 1 0 340.424 -1.327 20 0 EAADRO 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673211303 /nfs/dbraw/zinc/21/13/03/673211303.db2.gz MFXZFEPYVDYYLQ-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040485611 669900971 /nfs/dbraw/zinc/90/09/71/669900971.db2.gz MFXZFEPYVDYYLQ-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001040486231 669903219 /nfs/dbraw/zinc/90/32/19/669903219.db2.gz SCNBPYQTJYTLHD-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001040486232 669904065 /nfs/dbraw/zinc/90/40/65/669904065.db2.gz SCNBPYQTJYTLHD-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040486233 669904030 /nfs/dbraw/zinc/90/40/30/669904030.db2.gz SCNBPYQTJYTLHD-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001040486235 669903774 /nfs/dbraw/zinc/90/37/74/669903774.db2.gz SCNBPYQTJYTLHD-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 ZINC001040494135 673213134 /nfs/dbraw/zinc/21/31/34/673213134.db2.gz AFKRQSQLNZXXDH-DOMZBBRYSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 ZINC001040494136 673212910 /nfs/dbraw/zinc/21/29/10/673212910.db2.gz AFKRQSQLNZXXDH-IUODEOHRSA-N 1 0 336.396 -1.548 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001040494211 673213051 /nfs/dbraw/zinc/21/30/51/673213051.db2.gz CBXJMRRCQCKDIR-DOMZBBRYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001040494212 673212936 /nfs/dbraw/zinc/21/29/36/673212936.db2.gz CBXJMRRCQCKDIR-IUODEOHRSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001040494219 673213091 /nfs/dbraw/zinc/21/30/91/673213091.db2.gz CENVYOMXZSLFGP-ABAIWWIYSA-N 1 0 336.396 -1.398 20 0 EAADRO 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C[C@H](NC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040495632 673212988 /nfs/dbraw/zinc/21/29/88/673212988.db2.gz OLNSUQUFWDGKIR-RWSFTLGLSA-N 1 0 341.412 -1.783 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040495860 673212948 /nfs/dbraw/zinc/21/29/48/673212948.db2.gz PFFXLAROSMPAOX-MLGOLLRUSA-N 1 0 340.424 -1.362 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040495864 673212794 /nfs/dbraw/zinc/21/27/94/673212794.db2.gz PFFXLAROSMPAOX-WBMJQRKESA-N 1 0 340.424 -1.362 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1 ZINC001040495898 673212821 /nfs/dbraw/zinc/21/28/21/673212821.db2.gz PWMCEDSDBKWBLM-DOMZBBRYSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1 ZINC001040495900 673213088 /nfs/dbraw/zinc/21/30/88/673213088.db2.gz PWMCEDSDBKWBLM-IUODEOHRSA-N 1 0 336.396 -1.548 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040495953 673213117 /nfs/dbraw/zinc/21/31/17/673213117.db2.gz RGARBBBGKDTKKC-ABAIWWIYSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040495954 673212994 /nfs/dbraw/zinc/21/29/94/673212994.db2.gz RGARBBBGKDTKKC-IAQYHMDHSA-N 1 0 336.396 -1.099 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001040496137 673212975 /nfs/dbraw/zinc/21/29/75/673212975.db2.gz SVNMMUDSJHQOLP-MLGOLLRUSA-N 1 0 349.391 -1.443 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001040496138 673213017 /nfs/dbraw/zinc/21/30/17/673213017.db2.gz SVNMMUDSJHQOLP-WBMJQRKESA-N 1 0 349.391 -1.443 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001040496171 673212716 /nfs/dbraw/zinc/21/27/16/673212716.db2.gz UIHZGKSAIYIFNP-BXUZGUMPSA-N 1 0 337.384 -2.153 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001040496174 673212834 /nfs/dbraw/zinc/21/28/34/673212834.db2.gz UIHZGKSAIYIFNP-RISCZKNCSA-N 1 0 337.384 -2.153 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001040496302 673212881 /nfs/dbraw/zinc/21/28/81/673212881.db2.gz VHKPJWQQBYIWFF-ABAIWWIYSA-N 1 0 336.396 -1.479 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001040496303 673212968 /nfs/dbraw/zinc/21/29/68/673212968.db2.gz VHKPJWQQBYIWFF-IAQYHMDHSA-N 1 0 336.396 -1.479 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001040496319 673212979 /nfs/dbraw/zinc/21/29/79/673212979.db2.gz VKMGYPCVQOHNKK-DOMZBBRYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001040496320 673213006 /nfs/dbraw/zinc/21/30/06/673213006.db2.gz VKMGYPCVQOHNKK-IUODEOHRSA-N 1 0 336.396 -1.398 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040496372 673212960 /nfs/dbraw/zinc/21/29/60/673212960.db2.gz WDIMACVITDKKJG-BDJLRTHQSA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040496373 673212953 /nfs/dbraw/zinc/21/29/53/673212953.db2.gz WDIMACVITDKKJG-BZNIZROVSA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040496597 673213098 /nfs/dbraw/zinc/21/30/98/673213098.db2.gz XROLOUJFTQSOKO-HWWQOWPSSA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040496598 673212862 /nfs/dbraw/zinc/21/28/62/673212862.db2.gz XROLOUJFTQSOKO-OZVIIMIRSA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001040496611 673213009 /nfs/dbraw/zinc/21/30/09/673213009.db2.gz XUFXJRKHTFSRQJ-MLGOLLRUSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001040496612 673212764 /nfs/dbraw/zinc/21/27/64/673212764.db2.gz XUFXJRKHTFSRQJ-WBMJQRKESA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001040496666 673212897 /nfs/dbraw/zinc/21/28/97/673212897.db2.gz YMWCBSNINMBVRO-ABAIWWIYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001040496668 673212965 /nfs/dbraw/zinc/21/29/65/673212965.db2.gz YMWCBSNINMBVRO-IAQYHMDHSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001040496794 673212871 /nfs/dbraw/zinc/21/28/71/673212871.db2.gz ZSYBANQVNSIHKY-ABAIWWIYSA-N 1 0 338.408 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001040496796 673212930 /nfs/dbraw/zinc/21/29/30/673212930.db2.gz ZSYBANQVNSIHKY-IAQYHMDHSA-N 1 0 338.408 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001040496867 673212740 /nfs/dbraw/zinc/21/27/40/673212740.db2.gz BISGTIHTEHVSFK-BXUZGUMPSA-N 1 0 337.384 -2.153 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001040496868 673212783 /nfs/dbraw/zinc/21/27/83/673212783.db2.gz BISGTIHTEHVSFK-RISCZKNCSA-N 1 0 337.384 -2.153 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040497120 673212903 /nfs/dbraw/zinc/21/29/03/673212903.db2.gz FYSOVCDVUZELBS-CJNGLKHVSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040497121 673212919 /nfs/dbraw/zinc/21/29/19/673212919.db2.gz FYSOVCDVUZELBS-CZUORRHYSA-N 1 0 340.424 -1.362 20 0 EAADRO COCCOCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040498057 673213281 /nfs/dbraw/zinc/21/32/81/673213281.db2.gz DQJMNGSLUJHYKC-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040498059 673213440 /nfs/dbraw/zinc/21/34/40/673213440.db2.gz DQJMNGSLUJHYKC-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040498226 673213467 /nfs/dbraw/zinc/21/34/67/673213467.db2.gz PMEUCMXUJAPTAP-DOMZBBRYSA-N 1 0 326.397 -1.704 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040498227 673213512 /nfs/dbraw/zinc/21/35/12/673213512.db2.gz PMEUCMXUJAPTAP-IUODEOHRSA-N 1 0 326.397 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040498645 669926808 /nfs/dbraw/zinc/92/68/08/669926808.db2.gz UOIDVIVCAOBEMP-QMTHXVAHSA-N 1 0 327.385 -2.172 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040498648 669926934 /nfs/dbraw/zinc/92/69/34/669926934.db2.gz UOIDVIVCAOBEMP-YGRLFVJLSA-N 1 0 327.385 -2.172 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001040498719 673213453 /nfs/dbraw/zinc/21/34/53/673213453.db2.gz VJJBNTUOTTYYCE-MLGOLLRUSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001040498721 673213563 /nfs/dbraw/zinc/21/35/63/673213563.db2.gz VJJBNTUOTTYYCE-WBMJQRKESA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001040499164 673213264 /nfs/dbraw/zinc/21/32/64/673213264.db2.gz HJQIFPNXWYSZSD-BXUZGUMPSA-N 1 0 347.437 -1.795 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001040499165 673213274 /nfs/dbraw/zinc/21/32/74/673213274.db2.gz HJQIFPNXWYSZSD-RISCZKNCSA-N 1 0 347.437 -1.795 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2nccnc2N)C1 ZINC001040499336 673213497 /nfs/dbraw/zinc/21/34/97/673213497.db2.gz LKSKCOCISCUVLM-BDJLRTHQSA-N 1 0 348.407 -1.154 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2nccnc2N)C1 ZINC001040499337 673213270 /nfs/dbraw/zinc/21/32/70/673213270.db2.gz LKSKCOCISCUVLM-BZNIZROVSA-N 1 0 348.407 -1.154 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040499585 673213543 /nfs/dbraw/zinc/21/35/43/673213543.db2.gz OCMYXVDLPGOUND-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040499586 673213326 /nfs/dbraw/zinc/21/33/26/673213326.db2.gz OCMYXVDLPGOUND-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040499643 673213425 /nfs/dbraw/zinc/21/34/25/673213425.db2.gz PCOMDACSAZCZBK-ABAIWWIYSA-N 1 0 342.396 -1.484 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040499644 673213346 /nfs/dbraw/zinc/21/33/46/673213346.db2.gz PCOMDACSAZCZBK-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001040500505 673213525 /nfs/dbraw/zinc/21/35/25/673213525.db2.gz XROLOUJFTQSOKO-HSMVNMDESA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001040500508 673213551 /nfs/dbraw/zinc/21/35/51/673213551.db2.gz XROLOUJFTQSOKO-XHBSWPGZSA-N 1 0 338.408 -1.561 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040533839 673214717 /nfs/dbraw/zinc/21/47/17/673214717.db2.gz GCDYORNCWAMFKM-GXTWGEPZSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040533841 673214862 /nfs/dbraw/zinc/21/48/62/673214862.db2.gz GCDYORNCWAMFKM-JSGCOSHPSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040533842 673214819 /nfs/dbraw/zinc/21/48/19/673214819.db2.gz GCDYORNCWAMFKM-OCCSQVGLSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040533845 673214854 /nfs/dbraw/zinc/21/48/54/673214854.db2.gz GCDYORNCWAMFKM-TZMCWYRMSA-N 1 0 331.438 -1.015 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1)C(C)C ZINC001040536955 673215047 /nfs/dbraw/zinc/21/50/47/673215047.db2.gz CCCSHVMPWCXDGV-BLLLJJGKSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)C(C)C ZINC001040536956 673215162 /nfs/dbraw/zinc/21/51/62/673215162.db2.gz CCCSHVMPWCXDGV-LRDDRELGSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1)C(C)C ZINC001040536957 673215229 /nfs/dbraw/zinc/21/52/29/673215229.db2.gz CCCSHVMPWCXDGV-MLGOLLRUSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)C(C)C ZINC001040536958 673215062 /nfs/dbraw/zinc/21/50/62/673215062.db2.gz CCCSHVMPWCXDGV-WBMJQRKESA-N 1 0 342.440 -1.082 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCO)C3)nn1 ZINC001040543276 673216061 /nfs/dbraw/zinc/21/60/61/673216061.db2.gz NMILUDAMWVOUKF-HNNXBMFYSA-N 1 0 336.396 -1.316 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCO)C3)nn1 ZINC001040543277 673216283 /nfs/dbraw/zinc/21/62/83/673216283.db2.gz NMILUDAMWVOUKF-OAHLLOKOSA-N 1 0 336.396 -1.316 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040544465 673216357 /nfs/dbraw/zinc/21/63/57/673216357.db2.gz FEPBHJYBQAFURC-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040544467 673216094 /nfs/dbraw/zinc/21/60/94/673216094.db2.gz FEPBHJYBQAFURC-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040544468 673216186 /nfs/dbraw/zinc/21/61/86/673216186.db2.gz FEPBHJYBQAFURC-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040544470 673216288 /nfs/dbraw/zinc/21/62/88/673216288.db2.gz FEPBHJYBQAFURC-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040544934 673216034 /nfs/dbraw/zinc/21/60/34/673216034.db2.gz LJXOFDPKRXBKAL-AWEZNQCLSA-N 1 0 340.384 -1.924 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040544935 673216153 /nfs/dbraw/zinc/21/61/53/673216153.db2.gz LJXOFDPKRXBKAL-CQSZACIVSA-N 1 0 340.384 -1.924 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)CC1 ZINC001040545170 673216015 /nfs/dbraw/zinc/21/60/15/673216015.db2.gz PJRWMYYLVJOTAR-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)CC1 ZINC001040545171 673216378 /nfs/dbraw/zinc/21/63/78/673216378.db2.gz PJRWMYYLVJOTAR-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnc[nH]1 ZINC001040545343 673216214 /nfs/dbraw/zinc/21/62/14/673216214.db2.gz UGEMSQCTVIMRMR-HNNXBMFYSA-N 1 0 334.380 -1.406 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnc[nH]1 ZINC001040545344 673216333 /nfs/dbraw/zinc/21/63/33/673216333.db2.gz UGEMSQCTVIMRMR-OAHLLOKOSA-N 1 0 334.380 -1.406 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)CC1 ZINC001040546145 673216700 /nfs/dbraw/zinc/21/67/00/673216700.db2.gz DCXPPBPIMQNQOO-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)CC1 ZINC001040546146 673217044 /nfs/dbraw/zinc/21/70/44/673217044.db2.gz DCXPPBPIMQNQOO-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)c1nnc[nH]1 ZINC001040546955 673217188 /nfs/dbraw/zinc/21/71/88/673217188.db2.gz NBRIWBRYLWJMHG-BLLLJJGKSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)c1nnc[nH]1 ZINC001040546957 673217453 /nfs/dbraw/zinc/21/74/53/673217453.db2.gz NBRIWBRYLWJMHG-LRDDRELGSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)c1nnc[nH]1 ZINC001040546958 673217255 /nfs/dbraw/zinc/21/72/55/673217255.db2.gz NBRIWBRYLWJMHG-MLGOLLRUSA-N 1 0 348.407 -1.160 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)c1nnc[nH]1 ZINC001040546959 673217167 /nfs/dbraw/zinc/21/71/67/673217167.db2.gz NBRIWBRYLWJMHG-WBMJQRKESA-N 1 0 348.407 -1.160 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)CCC1 ZINC001040548867 673218098 /nfs/dbraw/zinc/21/80/98/673218098.db2.gz AUBJDGXMBNJDLA-AWEZNQCLSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)CCC1 ZINC001040548868 673217947 /nfs/dbraw/zinc/21/79/47/673217947.db2.gz AUBJDGXMBNJDLA-CQSZACIVSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1)C1CCC1 ZINC001040548923 673218976 /nfs/dbraw/zinc/21/89/76/673218976.db2.gz BWNSRPWFXIHPLG-HNNXBMFYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1)C1CCC1 ZINC001040548925 673218856 /nfs/dbraw/zinc/21/88/56/673218856.db2.gz BWNSRPWFXIHPLG-OAHLLOKOSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040549478 673218814 /nfs/dbraw/zinc/21/88/14/673218814.db2.gz DDYAHQWOSVWSNV-ABAIWWIYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040549479 673218921 /nfs/dbraw/zinc/21/89/21/673218921.db2.gz DDYAHQWOSVWSNV-IAQYHMDHSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040549480 673218779 /nfs/dbraw/zinc/21/87/79/673218779.db2.gz DDYAHQWOSVWSNV-NHYWBVRUSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040549481 673218882 /nfs/dbraw/zinc/21/88/82/673218882.db2.gz DDYAHQWOSVWSNV-XHDPSFHLSA-N 1 0 336.396 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1)C1CC1 ZINC001040550834 673220082 /nfs/dbraw/zinc/22/00/82/673220082.db2.gz NLGZTMQKYBLMRY-ABAIWWIYSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1)C1CC1 ZINC001040550835 673219998 /nfs/dbraw/zinc/21/99/98/673219998.db2.gz NLGZTMQKYBLMRY-IAQYHMDHSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1)C1CC1 ZINC001040550836 673220395 /nfs/dbraw/zinc/22/03/95/673220395.db2.gz NLGZTMQKYBLMRY-NHYWBVRUSA-N 1 0 336.396 -1.162 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1)C1CC1 ZINC001040550837 673219969 /nfs/dbraw/zinc/21/99/69/673219969.db2.gz NLGZTMQKYBLMRY-XHDPSFHLSA-N 1 0 336.396 -1.162 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)CC[N@@H+]1C ZINC001040551018 673220204 /nfs/dbraw/zinc/22/02/04/673220204.db2.gz PCFHKLWNBHJUBU-HFAKWTLXSA-N 1 0 336.396 -1.162 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)CC[N@@H+]1C ZINC001040551019 673220039 /nfs/dbraw/zinc/22/00/39/673220039.db2.gz PCFHKLWNBHJUBU-UEKVPHQBSA-N 1 0 336.396 -1.162 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040551852 673220709 /nfs/dbraw/zinc/22/07/09/673220709.db2.gz XNSGQQLJIZNYCL-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040551853 673221053 /nfs/dbraw/zinc/22/10/53/673221053.db2.gz XNSGQQLJIZNYCL-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040551854 673220985 /nfs/dbraw/zinc/22/09/85/673220985.db2.gz XNSGQQLJIZNYCL-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040551855 673220759 /nfs/dbraw/zinc/22/07/59/673220759.db2.gz XNSGQQLJIZNYCL-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040589652 673222068 /nfs/dbraw/zinc/22/20/68/673222068.db2.gz BJJRKAPNQPKJQN-HZMBPMFUSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040589655 669323376 /nfs/dbraw/zinc/32/33/76/669323376.db2.gz BJJRKAPNQPKJQN-IINYFYTJSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040589697 669323389 /nfs/dbraw/zinc/32/33/89/669323389.db2.gz BJJRKAPNQPKJQN-QMTHXVAHSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001040589698 669323535 /nfs/dbraw/zinc/32/35/35/669323535.db2.gz BJJRKAPNQPKJQN-YGRLFVJLSA-N 1 0 339.400 -1.757 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040589929 673222216 /nfs/dbraw/zinc/22/22/16/673222216.db2.gz DXIAKTBJKGODQV-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040589930 673222357 /nfs/dbraw/zinc/22/23/57/673222357.db2.gz DXIAKTBJKGODQV-CQSZACIVSA-N 1 0 339.400 -1.755 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040589933 669325242 /nfs/dbraw/zinc/32/52/42/669325242.db2.gz DZWOZMAGBLEPFL-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040589934 669325425 /nfs/dbraw/zinc/32/54/25/669325425.db2.gz DZWOZMAGBLEPFL-CQSZACIVSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040591000 673222986 /nfs/dbraw/zinc/22/29/86/673222986.db2.gz OOEOKESDXZTSPA-HNNXBMFYSA-N 1 0 349.395 -2.001 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001040591001 673223004 /nfs/dbraw/zinc/22/30/04/673223004.db2.gz OOEOKESDXZTSPA-OAHLLOKOSA-N 1 0 349.395 -2.001 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001040592065 673223480 /nfs/dbraw/zinc/22/34/80/673223480.db2.gz WMVBKQJTWHVYQM-HZMBPMFUSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001040592066 673223588 /nfs/dbraw/zinc/22/35/88/673223588.db2.gz WMVBKQJTWHVYQM-IINYFYTJSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001040592067 673223598 /nfs/dbraw/zinc/22/35/98/673223598.db2.gz WMVBKQJTWHVYQM-QMTHXVAHSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001040592068 673223523 /nfs/dbraw/zinc/22/35/23/673223523.db2.gz WMVBKQJTWHVYQM-YGRLFVJLSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001040593750 673224181 /nfs/dbraw/zinc/22/41/81/673224181.db2.gz IWIFZALBXNAVGZ-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001040593751 673224277 /nfs/dbraw/zinc/22/42/77/673224277.db2.gz IWIFZALBXNAVGZ-CQSZACIVSA-N 1 0 339.400 -1.755 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040593948 673224566 /nfs/dbraw/zinc/22/45/66/673224566.db2.gz JOSIEIVWGYGOGV-BLLLJJGKSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040593950 673224605 /nfs/dbraw/zinc/22/46/05/673224605.db2.gz JOSIEIVWGYGOGV-LRDDRELGSA-N 1 0 340.424 -1.362 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001040594380 673224674 /nfs/dbraw/zinc/22/46/74/673224674.db2.gz MVVLIGKLHYVPTA-HZMBPMFUSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001040594381 673224573 /nfs/dbraw/zinc/22/45/73/673224573.db2.gz MVVLIGKLHYVPTA-IINYFYTJSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001040594382 673224585 /nfs/dbraw/zinc/22/45/85/673224585.db2.gz MVVLIGKLHYVPTA-QMTHXVAHSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001040594383 673224537 /nfs/dbraw/zinc/22/45/37/673224537.db2.gz MVVLIGKLHYVPTA-YGRLFVJLSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001040594430 673224533 /nfs/dbraw/zinc/22/45/33/673224533.db2.gz NGVXCLQNKZZNOR-CYBMUJFWSA-N 1 0 325.373 -2.145 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001040594433 673224541 /nfs/dbraw/zinc/22/45/41/673224541.db2.gz NGVXCLQNKZZNOR-ZDUSSCGKSA-N 1 0 325.373 -2.145 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040594627 673224970 /nfs/dbraw/zinc/22/49/70/673224970.db2.gz PCDSITWFLBNLPO-AWEZNQCLSA-N 1 0 339.400 -1.757 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040594628 673224921 /nfs/dbraw/zinc/22/49/21/673224921.db2.gz PCDSITWFLBNLPO-CQSZACIVSA-N 1 0 339.400 -1.757 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040594711 669355680 /nfs/dbraw/zinc/35/56/80/669355680.db2.gz PZWPOPBAVZQFPI-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001040594712 669355374 /nfs/dbraw/zinc/35/53/74/669355374.db2.gz PZWPOPBAVZQFPI-CQSZACIVSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001040595410 669359503 /nfs/dbraw/zinc/35/95/03/669359503.db2.gz VBJMDTGLZUISJQ-AWEZNQCLSA-N 1 0 337.384 -2.001 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001040595411 669359562 /nfs/dbraw/zinc/35/95/62/669359562.db2.gz VBJMDTGLZUISJQ-CQSZACIVSA-N 1 0 337.384 -2.001 20 0 EAADRO O=C(Cn1cnnn1)N1CCC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001040601237 673225623 /nfs/dbraw/zinc/22/56/23/673225623.db2.gz NBDDACMRRLWVHR-GFCCVEGCSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CCC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001040601238 673225640 /nfs/dbraw/zinc/22/56/40/673225640.db2.gz NBDDACMRRLWVHR-LBPRGKRZSA-N 1 0 333.396 -1.124 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001040612938 673226656 /nfs/dbraw/zinc/22/66/56/673226656.db2.gz HLKRIUFVBXGMBT-BLLLJJGKSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001040612939 673226808 /nfs/dbraw/zinc/22/68/08/673226808.db2.gz HLKRIUFVBXGMBT-LRDDRELGSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001040612940 673226738 /nfs/dbraw/zinc/22/67/38/673226738.db2.gz HLKRIUFVBXGMBT-MLGOLLRUSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001040612941 673226767 /nfs/dbraw/zinc/22/67/67/673226767.db2.gz HLKRIUFVBXGMBT-WBMJQRKESA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001040615195 673227299 /nfs/dbraw/zinc/22/72/99/673227299.db2.gz HCFKVTUHIVWQGF-DMEJVMROSA-N 1 0 325.409 -1.090 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001040615196 673227261 /nfs/dbraw/zinc/22/72/61/673227261.db2.gz HCFKVTUHIVWQGF-TWJWRFFLSA-N 1 0 325.409 -1.090 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001040617446 673227726 /nfs/dbraw/zinc/22/77/26/673227726.db2.gz ZLMCCKFJMNZLNN-CNUKPYSBSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001040617447 673227857 /nfs/dbraw/zinc/22/78/57/673227857.db2.gz ZLMCCKFJMNZLNN-NLIDSEJHSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001040617448 673227629 /nfs/dbraw/zinc/22/76/29/673227629.db2.gz ZLMCCKFJMNZLNN-QDEPRCCBSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001040617449 673227918 /nfs/dbraw/zinc/22/79/18/673227918.db2.gz ZLMCCKFJMNZLNN-REVBEMBVSA-N 1 0 337.420 -1.090 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040642359 673228514 /nfs/dbraw/zinc/22/85/14/673228514.db2.gz UANMWMWMAPVQDS-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040642360 673228447 /nfs/dbraw/zinc/22/84/47/673228447.db2.gz UANMWMWMAPVQDS-LRDDRELGSA-N 1 0 340.424 -1.327 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040642361 669541158 /nfs/dbraw/zinc/54/11/58/669541158.db2.gz UANMWMWMAPVQDS-MLGOLLRUSA-N 1 0 340.424 -1.327 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040642362 669541364 /nfs/dbraw/zinc/54/13/64/669541364.db2.gz UANMWMWMAPVQDS-WBMJQRKESA-N 1 0 340.424 -1.327 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040644031 673228720 /nfs/dbraw/zinc/22/87/20/673228720.db2.gz JOSIEIVWGYGOGV-MLGOLLRUSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040644032 673228723 /nfs/dbraw/zinc/22/87/23/673228723.db2.gz JOSIEIVWGYGOGV-WBMJQRKESA-N 1 0 340.424 -1.362 20 0 EAADRO NC(=O)CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001040649601 673229376 /nfs/dbraw/zinc/22/93/76/673229376.db2.gz XTERLLWORORRHX-LLVKDONJSA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CCC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001040649602 673229469 /nfs/dbraw/zinc/22/94/69/673229469.db2.gz XTERLLWORORRHX-NSHDSACASA-N 1 0 336.392 -1.019 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040651868 673229434 /nfs/dbraw/zinc/22/94/34/673229434.db2.gz PDUGBSCKLPBEEG-ABAIWWIYSA-N 1 0 342.396 -2.340 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040651870 673229584 /nfs/dbraw/zinc/22/95/84/673229584.db2.gz PDUGBSCKLPBEEG-IAQYHMDHSA-N 1 0 342.396 -2.340 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040651872 673229536 /nfs/dbraw/zinc/22/95/36/673229536.db2.gz PDUGBSCKLPBEEG-NHYWBVRUSA-N 1 0 342.396 -2.340 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040651874 673229443 /nfs/dbraw/zinc/22/94/43/673229443.db2.gz PDUGBSCKLPBEEG-XHDPSFHLSA-N 1 0 342.396 -2.340 20 0 EAADRO COCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001040652362 673229871 /nfs/dbraw/zinc/22/98/71/673229871.db2.gz SFIZKDJXPUIZTP-BBRMVZONSA-N 1 0 343.424 -1.178 20 0 EAADRO COCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001040652364 673229810 /nfs/dbraw/zinc/22/98/10/673229810.db2.gz SFIZKDJXPUIZTP-CJNGLKHVSA-N 1 0 343.424 -1.178 20 0 EAADRO COCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001040652366 673229878 /nfs/dbraw/zinc/22/98/78/673229878.db2.gz SFIZKDJXPUIZTP-CZUORRHYSA-N 1 0 343.424 -1.178 20 0 EAADRO COCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001040652368 673229899 /nfs/dbraw/zinc/22/98/99/673229899.db2.gz SFIZKDJXPUIZTP-XJKSGUPXSA-N 1 0 343.424 -1.178 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001040653249 673229882 /nfs/dbraw/zinc/22/98/82/673229882.db2.gz LDDRUJQNWXGAHQ-PGUXBMHVSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001040653250 673229721 /nfs/dbraw/zinc/22/97/21/673229721.db2.gz LDDRUJQNWXGAHQ-ZIBATOQPSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001040654569 673229960 /nfs/dbraw/zinc/22/99/60/673229960.db2.gz UFZGKXOMXAPSDG-MKBNYLNASA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001040654570 673230179 /nfs/dbraw/zinc/23/01/79/673230179.db2.gz UFZGKXOMXAPSDG-MQIPJXDCSA-N 1 0 340.424 -1.328 20 0 EAADRO O=C(NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1cnon1 ZINC001040661338 673231096 /nfs/dbraw/zinc/23/10/96/673231096.db2.gz ISHRIKDXNUUPKB-HNNXBMFYSA-N 1 0 335.364 -1.141 20 0 EAADRO O=C(NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1cnon1 ZINC001040661340 673231190 /nfs/dbraw/zinc/23/11/90/673231190.db2.gz ISHRIKDXNUUPKB-OAHLLOKOSA-N 1 0 335.364 -1.141 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001040662201 673231100 /nfs/dbraw/zinc/23/11/00/673231100.db2.gz NFYHZKAEGWXZMT-AWEZNQCLSA-N 1 0 341.368 -1.659 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001040662202 673231180 /nfs/dbraw/zinc/23/11/80/673231180.db2.gz NFYHZKAEGWXZMT-CQSZACIVSA-N 1 0 341.368 -1.659 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001040689915 673236242 /nfs/dbraw/zinc/23/62/42/673236242.db2.gz IKAZGINUTCLOMJ-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001040689916 673236267 /nfs/dbraw/zinc/23/62/67/673236267.db2.gz IKAZGINUTCLOMJ-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001040690281 673236279 /nfs/dbraw/zinc/23/62/79/673236279.db2.gz NGYLLIIBGGKKJV-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001040690282 673236286 /nfs/dbraw/zinc/23/62/86/673236286.db2.gz NGYLLIIBGGKKJV-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001040691004 673236337 /nfs/dbraw/zinc/23/63/37/673236337.db2.gz VSTFJEFXQJCVKY-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001040691005 673236399 /nfs/dbraw/zinc/23/63/99/673236399.db2.gz VSTFJEFXQJCVKY-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001040693934 673237125 /nfs/dbraw/zinc/23/71/25/673237125.db2.gz FZQVOSJGOUVKKB-BLLLJJGKSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001040693935 673237003 /nfs/dbraw/zinc/23/70/03/673237003.db2.gz FZQVOSJGOUVKKB-LRDDRELGSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001040693936 673237047 /nfs/dbraw/zinc/23/70/47/673237047.db2.gz FZQVOSJGOUVKKB-MLGOLLRUSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001040693937 673237063 /nfs/dbraw/zinc/23/70/63/673237063.db2.gz FZQVOSJGOUVKKB-WBMJQRKESA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cn1ncnn1)N1CCC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001040701987 673238777 /nfs/dbraw/zinc/23/87/77/673238777.db2.gz PRTGVQWVBMDSNZ-GFCCVEGCSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CCC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001040701988 673238765 /nfs/dbraw/zinc/23/87/65/673238765.db2.gz PRTGVQWVBMDSNZ-LBPRGKRZSA-N 1 0 333.396 -1.124 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001040705373 673238760 /nfs/dbraw/zinc/23/87/60/673238760.db2.gz GUAKCMJJNSFHPX-UHFFFAOYSA-N 1 0 349.395 -1.823 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC3(C2)CC[NH+](CCO)CC3)n1 ZINC001040706588 673238824 /nfs/dbraw/zinc/23/88/24/673238824.db2.gz XFKLGGLBVGBEQP-UHFFFAOYSA-N 1 0 336.396 -1.316 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001040708474 673238799 /nfs/dbraw/zinc/23/87/99/673238799.db2.gz AMUZZLIDBVLXEU-INIZCTEOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001040708477 673238698 /nfs/dbraw/zinc/23/86/98/673238698.db2.gz AMUZZLIDBVLXEU-MRXNPFEDSA-N 1 0 340.424 -1.456 20 0 EAADRO COCC(=O)N1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001040710255 673239368 /nfs/dbraw/zinc/23/93/68/673239368.db2.gz PFPHWLCVFGCZGT-INIZCTEOSA-N 1 0 343.424 -1.177 20 0 EAADRO COCC(=O)N1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001040710258 673239415 /nfs/dbraw/zinc/23/94/15/673239415.db2.gz PFPHWLCVFGCZGT-MRXNPFEDSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001040710870 669793896 /nfs/dbraw/zinc/79/38/96/669793896.db2.gz VQIVTSSMJUUIEG-HNNXBMFYSA-N 1 0 342.396 -2.338 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001040710872 669793980 /nfs/dbraw/zinc/79/39/80/669793980.db2.gz VQIVTSSMJUUIEG-OAHLLOKOSA-N 1 0 342.396 -2.338 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040712389 673239452 /nfs/dbraw/zinc/23/94/52/673239452.db2.gz BGOQXWGDJUNVKR-INIZCTEOSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040712391 673239428 /nfs/dbraw/zinc/23/94/28/673239428.db2.gz BGOQXWGDJUNVKR-MRXNPFEDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)CC1 ZINC001040714453 673239779 /nfs/dbraw/zinc/23/97/79/673239779.db2.gz QWORPDGQRAGLCP-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)CC1 ZINC001040714454 673239642 /nfs/dbraw/zinc/23/96/42/673239642.db2.gz QWORPDGQRAGLCP-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040714576 673239720 /nfs/dbraw/zinc/23/97/20/673239720.db2.gz RUHYBSFDQGSFRH-HNNXBMFYSA-N 1 0 338.364 -1.480 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040714577 673239770 /nfs/dbraw/zinc/23/97/70/673239770.db2.gz RUHYBSFDQGSFRH-OAHLLOKOSA-N 1 0 338.364 -1.480 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001040714950 673239762 /nfs/dbraw/zinc/23/97/62/673239762.db2.gz VKZHSQJYASNLTM-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 ZINC001040714951 669796252 /nfs/dbraw/zinc/79/62/52/669796252.db2.gz VKZHSQJYASNLTM-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040715271 673240023 /nfs/dbraw/zinc/24/00/23/673240023.db2.gz GSRVEWBEMYMWRB-INIZCTEOSA-N 1 0 349.391 -1.441 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040715274 673239893 /nfs/dbraw/zinc/23/98/93/673239893.db2.gz GSRVEWBEMYMWRB-MRXNPFEDSA-N 1 0 349.391 -1.441 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040715583 673239926 /nfs/dbraw/zinc/23/99/26/673239926.db2.gz IRIAGKGSZPXMJG-INIZCTEOSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040715585 673239951 /nfs/dbraw/zinc/23/99/51/673239951.db2.gz IRIAGKGSZPXMJG-MRXNPFEDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]n3)C2)CC1 ZINC001040716067 673240332 /nfs/dbraw/zinc/24/03/32/673240332.db2.gz OVXREGDBJNEIIQ-HNNXBMFYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]n3)C2)CC1 ZINC001040716068 673240334 /nfs/dbraw/zinc/24/03/34/673240334.db2.gz OVXREGDBJNEIIQ-OAHLLOKOSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001040716315 673240568 /nfs/dbraw/zinc/24/05/68/673240568.db2.gz VXJDHXMWXCFPPJ-BDJLRTHQSA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001040716316 673240614 /nfs/dbraw/zinc/24/06/14/673240614.db2.gz VXJDHXMWXCFPPJ-BZNIZROVSA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001040716317 673240576 /nfs/dbraw/zinc/24/05/76/673240576.db2.gz VXJDHXMWXCFPPJ-MEDUHNTESA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001040716318 673240634 /nfs/dbraw/zinc/24/06/34/673240634.db2.gz VXJDHXMWXCFPPJ-ZBEGNZNMSA-N 1 0 349.391 -1.585 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)CC1 ZINC001040716333 673240541 /nfs/dbraw/zinc/24/05/41/673240541.db2.gz WFUCPPSTWQDKNB-HNNXBMFYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)CC1 ZINC001040716334 673240619 /nfs/dbraw/zinc/24/06/19/673240619.db2.gz WFUCPPSTWQDKNB-OAHLLOKOSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040716371 673240748 /nfs/dbraw/zinc/24/07/48/673240748.db2.gz WXCUEROSYYYNMU-BLLLJJGKSA-N 1 0 349.391 -1.443 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040716372 673240545 /nfs/dbraw/zinc/24/05/45/673240545.db2.gz WXCUEROSYYYNMU-LRDDRELGSA-N 1 0 349.391 -1.443 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040716373 673240733 /nfs/dbraw/zinc/24/07/33/673240733.db2.gz WXCUEROSYYYNMU-MLGOLLRUSA-N 1 0 349.391 -1.443 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040716374 673240656 /nfs/dbraw/zinc/24/06/56/673240656.db2.gz WXCUEROSYYYNMU-WBMJQRKESA-N 1 0 349.391 -1.443 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040716433 673240701 /nfs/dbraw/zinc/24/07/01/673240701.db2.gz XUFKGMFNTXCMOB-HNNXBMFYSA-N 1 0 337.380 -1.585 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001040716434 673240757 /nfs/dbraw/zinc/24/07/57/673240757.db2.gz XUFKGMFNTXCMOB-OAHLLOKOSA-N 1 0 337.380 -1.585 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001040717122 673240612 /nfs/dbraw/zinc/24/06/12/673240612.db2.gz CBGMWMBFUGHKNJ-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001040717123 673240638 /nfs/dbraw/zinc/24/06/38/673240638.db2.gz CBGMWMBFUGHKNJ-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040717360 673240686 /nfs/dbraw/zinc/24/06/86/673240686.db2.gz FPRCPSILDODJNC-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040717361 673240716 /nfs/dbraw/zinc/24/07/16/673240716.db2.gz FPRCPSILDODJNC-WQGACYEGSA-N 1 0 340.424 -1.471 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040717750 673240725 /nfs/dbraw/zinc/24/07/25/673240725.db2.gz GNRWIEKCXDBMTO-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040717752 673240693 /nfs/dbraw/zinc/24/06/93/673240693.db2.gz GNRWIEKCXDBMTO-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001040717812 673240703 /nfs/dbraw/zinc/24/07/03/673240703.db2.gz GTLFLWZWSODZCN-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001040717816 673240583 /nfs/dbraw/zinc/24/05/83/673240583.db2.gz GTLFLWZWSODZCN-CQSZACIVSA-N 1 0 339.400 -1.755 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040718130 673240729 /nfs/dbraw/zinc/24/07/29/673240729.db2.gz JDCXJJALXXRTBM-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040718132 669800744 /nfs/dbraw/zinc/80/07/44/669800744.db2.gz JDCXJJALXXRTBM-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001040718138 673240629 /nfs/dbraw/zinc/24/06/29/673240629.db2.gz JEXDIZKESPQWMD-ABAIWWIYSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001040718140 673240653 /nfs/dbraw/zinc/24/06/53/673240653.db2.gz JEXDIZKESPQWMD-IAQYHMDHSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040718142 673240647 /nfs/dbraw/zinc/24/06/47/673240647.db2.gz JEXDIZKESPQWMD-NHYWBVRUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040718143 673240727 /nfs/dbraw/zinc/24/07/27/673240727.db2.gz JEXDIZKESPQWMD-XHDPSFHLSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040718181 673240672 /nfs/dbraw/zinc/24/06/72/673240672.db2.gz KCSMEAWJGQELIN-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040718185 673240563 /nfs/dbraw/zinc/24/05/63/673240563.db2.gz KCSMEAWJGQELIN-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040718449 673241058 /nfs/dbraw/zinc/24/10/58/673241058.db2.gz LCPITCXOUYLTHN-INIZCTEOSA-N 1 0 342.440 -1.114 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040718450 673241143 /nfs/dbraw/zinc/24/11/43/673241143.db2.gz LCPITCXOUYLTHN-MRXNPFEDSA-N 1 0 342.440 -1.114 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001040718451 673241046 /nfs/dbraw/zinc/24/10/46/673241046.db2.gz LDMPAASPPRWROB-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001040718452 673241067 /nfs/dbraw/zinc/24/10/67/673241067.db2.gz LDMPAASPPRWROB-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001040718637 673240913 /nfs/dbraw/zinc/24/09/13/673240913.db2.gz MRDWKBDPQDSRMK-ABAIWWIYSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001040718638 669802036 /nfs/dbraw/zinc/80/20/36/669802036.db2.gz MRDWKBDPQDSRMK-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001040718639 669802175 /nfs/dbraw/zinc/80/21/75/669802175.db2.gz MRDWKBDPQDSRMK-NHYWBVRUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001040718640 669801880 /nfs/dbraw/zinc/80/18/80/669801880.db2.gz MRDWKBDPQDSRMK-XHDPSFHLSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001040718669 669801888 /nfs/dbraw/zinc/80/18/88/669801888.db2.gz NIGQACZLTUCHRB-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001040718670 669801928 /nfs/dbraw/zinc/80/19/28/669801928.db2.gz NIGQACZLTUCHRB-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001040718910 673240939 /nfs/dbraw/zinc/24/09/39/673240939.db2.gz OJDANCKGFUZONU-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001040718911 673241061 /nfs/dbraw/zinc/24/10/61/673241061.db2.gz OJDANCKGFUZONU-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1 ZINC001040718994 673240898 /nfs/dbraw/zinc/24/08/98/673240898.db2.gz QPKWNIFSVLAQIU-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1 ZINC001040718995 673241095 /nfs/dbraw/zinc/24/10/95/673241095.db2.gz QPKWNIFSVLAQIU-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)nn1 ZINC001040718998 673241078 /nfs/dbraw/zinc/24/10/78/673241078.db2.gz QSEMMKOBBYRESC-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)nn1 ZINC001040718999 673240951 /nfs/dbraw/zinc/24/09/51/673240951.db2.gz QSEMMKOBBYRESC-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719134 673241019 /nfs/dbraw/zinc/24/10/19/673241019.db2.gz RLJAPERZUKACJF-HNNXBMFYSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719135 673241113 /nfs/dbraw/zinc/24/11/13/673241113.db2.gz RLJAPERZUKACJF-OAHLLOKOSA-N 1 0 343.428 -1.663 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 ZINC001040719150 673240922 /nfs/dbraw/zinc/24/09/22/673240922.db2.gz RRECLCWTWVJOGB-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 ZINC001040719151 673240994 /nfs/dbraw/zinc/24/09/94/673240994.db2.gz RRECLCWTWVJOGB-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719154 673241104 /nfs/dbraw/zinc/24/11/04/673241104.db2.gz RTLMROHXRNPVGV-HNNXBMFYSA-N 1 0 328.413 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719155 673240928 /nfs/dbraw/zinc/24/09/28/673240928.db2.gz RTLMROHXRNPVGV-OAHLLOKOSA-N 1 0 328.413 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001040719291 673241007 /nfs/dbraw/zinc/24/10/07/673241007.db2.gz TZCZSYMHILHTLA-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001040719292 673241033 /nfs/dbraw/zinc/24/10/33/673241033.db2.gz TZCZSYMHILHTLA-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001040719294 673241089 /nfs/dbraw/zinc/24/10/89/673241089.db2.gz TZCZSYMHILHTLA-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001040719295 669801971 /nfs/dbraw/zinc/80/19/71/669801971.db2.gz TZCZSYMHILHTLA-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719308 673241128 /nfs/dbraw/zinc/24/11/28/673241128.db2.gz UJPJFYCLYBPJNJ-BLLLJJGKSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719309 673241031 /nfs/dbraw/zinc/24/10/31/673241031.db2.gz UJPJFYCLYBPJNJ-LRDDRELGSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719310 673240889 /nfs/dbraw/zinc/24/08/89/673240889.db2.gz UJPJFYCLYBPJNJ-MLGOLLRUSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719311 673240998 /nfs/dbraw/zinc/24/09/98/673240998.db2.gz UJPJFYCLYBPJNJ-WBMJQRKESA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001040719384 669802309 /nfs/dbraw/zinc/80/23/09/669802309.db2.gz VPPLXAHEKBRJGC-HNNXBMFYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001040719385 669801828 /nfs/dbraw/zinc/80/18/28/669801828.db2.gz VPPLXAHEKBRJGC-OAHLLOKOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719557 673241149 /nfs/dbraw/zinc/24/11/49/673241149.db2.gz YCMQGXKYKPAXAH-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719558 673240984 /nfs/dbraw/zinc/24/09/84/673240984.db2.gz YCMQGXKYKPAXAH-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001040719931 673240908 /nfs/dbraw/zinc/24/09/08/673240908.db2.gz ZIMNTXFROKMUJA-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001040719932 673240963 /nfs/dbraw/zinc/24/09/63/673240963.db2.gz ZIMNTXFROKMUJA-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040720042 673240980 /nfs/dbraw/zinc/24/09/80/673240980.db2.gz AAYIVLIXLMRUIO-AWEZNQCLSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040720043 673240907 /nfs/dbraw/zinc/24/09/07/673240907.db2.gz AAYIVLIXLMRUIO-CQSZACIVSA-N 1 0 329.401 -1.924 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040720046 669803039 /nfs/dbraw/zinc/80/30/39/669803039.db2.gz AFHKRNURWGOKTJ-HNNXBMFYSA-N 1 0 344.412 -1.236 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040720047 669802765 /nfs/dbraw/zinc/80/27/65/669802765.db2.gz AFHKRNURWGOKTJ-OAHLLOKOSA-N 1 0 344.412 -1.236 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001040720435 673240901 /nfs/dbraw/zinc/24/09/01/673240901.db2.gz HQFQKXWKZLOBTF-AWEZNQCLSA-N 1 0 349.453 -1.548 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001040720436 673241074 /nfs/dbraw/zinc/24/10/74/673241074.db2.gz HQFQKXWKZLOBTF-CQSZACIVSA-N 1 0 349.453 -1.548 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001040720743 673241013 /nfs/dbraw/zinc/24/10/13/673241013.db2.gz KCSMEAWJGQELIN-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001040720744 673240932 /nfs/dbraw/zinc/24/09/32/673240932.db2.gz KCSMEAWJGQELIN-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040720775 673241002 /nfs/dbraw/zinc/24/10/02/673241002.db2.gz LFEPRZUXXHFUBT-BLLLJJGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040720776 673240990 /nfs/dbraw/zinc/24/09/90/673240990.db2.gz LFEPRZUXXHFUBT-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040720777 673240955 /nfs/dbraw/zinc/24/09/55/673240955.db2.gz LFEPRZUXXHFUBT-MLGOLLRUSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040720778 673240894 /nfs/dbraw/zinc/24/08/94/673240894.db2.gz LFEPRZUXXHFUBT-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001040721094 673241052 /nfs/dbraw/zinc/24/10/52/673241052.db2.gz NKYNHZGSVGIQAY-BBRMVZONSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001040721095 673240936 /nfs/dbraw/zinc/24/09/36/673240936.db2.gz NKYNHZGSVGIQAY-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001040721096 673241142 /nfs/dbraw/zinc/24/11/42/673241142.db2.gz NKYNHZGSVGIQAY-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001040721097 673241036 /nfs/dbraw/zinc/24/10/36/673241036.db2.gz NKYNHZGSVGIQAY-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721112 673240904 /nfs/dbraw/zinc/24/09/04/673240904.db2.gz NUWYENRPNKSYMX-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721114 673241138 /nfs/dbraw/zinc/24/11/38/673241138.db2.gz NUWYENRPNKSYMX-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721430 669804050 /nfs/dbraw/zinc/80/40/50/669804050.db2.gz SCTOIVZZMUQAJB-INIZCTEOSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721431 669804090 /nfs/dbraw/zinc/80/40/90/669804090.db2.gz SCTOIVZZMUQAJB-MRXNPFEDSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721433 669803847 /nfs/dbraw/zinc/80/38/47/669803847.db2.gz SCVLCOBKMPHXAM-HNNXBMFYSA-N 1 0 328.413 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721434 669804226 /nfs/dbraw/zinc/80/42/26/669804226.db2.gz SCVLCOBKMPHXAM-OAHLLOKOSA-N 1 0 328.413 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721456 673240973 /nfs/dbraw/zinc/24/09/73/673240973.db2.gz SMTGXIALBCDFAK-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040721457 669803945 /nfs/dbraw/zinc/80/39/45/669803945.db2.gz SMTGXIALBCDFAK-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001040721749 673241040 /nfs/dbraw/zinc/24/10/40/673241040.db2.gz ZEUIKBWBYCYQNQ-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001040721750 673241146 /nfs/dbraw/zinc/24/11/46/673241146.db2.gz ZEUIKBWBYCYQNQ-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040722763 673241707 /nfs/dbraw/zinc/24/17/07/673241707.db2.gz DVTIDMBBFNSWGP-ABAIWWIYSA-N 1 0 341.412 -1.912 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040722764 673241659 /nfs/dbraw/zinc/24/16/59/673241659.db2.gz DVTIDMBBFNSWGP-IAQYHMDHSA-N 1 0 341.412 -1.912 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040722765 673241632 /nfs/dbraw/zinc/24/16/32/673241632.db2.gz DVTIDMBBFNSWGP-NHYWBVRUSA-N 1 0 341.412 -1.912 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040722766 673241751 /nfs/dbraw/zinc/24/17/51/673241751.db2.gz DVTIDMBBFNSWGP-XHDPSFHLSA-N 1 0 341.412 -1.912 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040723008 673242046 /nfs/dbraw/zinc/24/20/46/673242046.db2.gz GXWLYFPNZUGQLL-HZMBPMFUSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040723010 673241962 /nfs/dbraw/zinc/24/19/62/673241962.db2.gz GXWLYFPNZUGQLL-IINYFYTJSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040723012 673242085 /nfs/dbraw/zinc/24/20/85/673242085.db2.gz GXWLYFPNZUGQLL-QMTHXVAHSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040723013 673242106 /nfs/dbraw/zinc/24/21/06/673242106.db2.gz GXWLYFPNZUGQLL-YGRLFVJLSA-N 1 0 327.385 -2.301 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040723112 673241943 /nfs/dbraw/zinc/24/19/43/673241943.db2.gz IDHKETWIKYDOCM-ABAIWWIYSA-N 1 0 341.412 -1.911 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040723115 673242054 /nfs/dbraw/zinc/24/20/54/673242054.db2.gz IDHKETWIKYDOCM-IAQYHMDHSA-N 1 0 341.412 -1.911 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040723117 673241993 /nfs/dbraw/zinc/24/19/93/673241993.db2.gz IDHKETWIKYDOCM-NHYWBVRUSA-N 1 0 341.412 -1.911 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040723118 673241880 /nfs/dbraw/zinc/24/18/80/673241880.db2.gz IDHKETWIKYDOCM-XHDPSFHLSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040724022 673242921 /nfs/dbraw/zinc/24/29/21/673242921.db2.gz NAUXTEKCSJODIT-ABAIWWIYSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040724023 673242937 /nfs/dbraw/zinc/24/29/37/673242937.db2.gz NAUXTEKCSJODIT-IAQYHMDHSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040724024 673242960 /nfs/dbraw/zinc/24/29/60/673242960.db2.gz NAUXTEKCSJODIT-NHYWBVRUSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040724025 673242839 /nfs/dbraw/zinc/24/28/39/673242839.db2.gz NAUXTEKCSJODIT-XHDPSFHLSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040724046 673242893 /nfs/dbraw/zinc/24/28/93/673242893.db2.gz NQDLMZWTZGHWPA-ABAIWWIYSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040724047 673242940 /nfs/dbraw/zinc/24/29/40/673242940.db2.gz NQDLMZWTZGHWPA-IAQYHMDHSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040724048 673242972 /nfs/dbraw/zinc/24/29/72/673242972.db2.gz NQDLMZWTZGHWPA-NHYWBVRUSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040724049 673242985 /nfs/dbraw/zinc/24/29/85/673242985.db2.gz NQDLMZWTZGHWPA-XHDPSFHLSA-N 1 0 341.412 -1.911 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040724896 673243645 /nfs/dbraw/zinc/24/36/45/673243645.db2.gz RTCXUWTVQGIOMM-ABAIWWIYSA-N 1 0 339.396 -2.157 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040724897 673243635 /nfs/dbraw/zinc/24/36/35/673243635.db2.gz RTCXUWTVQGIOMM-IAQYHMDHSA-N 1 0 339.396 -2.157 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040724898 673243566 /nfs/dbraw/zinc/24/35/66/673243566.db2.gz RTCXUWTVQGIOMM-NHYWBVRUSA-N 1 0 339.396 -2.157 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040724899 673243461 /nfs/dbraw/zinc/24/34/61/673243461.db2.gz RTCXUWTVQGIOMM-XHDPSFHLSA-N 1 0 339.396 -2.157 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040725255 673243824 /nfs/dbraw/zinc/24/38/24/673243824.db2.gz UZCNJZTUHNCOGV-ABAIWWIYSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001040725257 673243818 /nfs/dbraw/zinc/24/38/18/673243818.db2.gz UZCNJZTUHNCOGV-IAQYHMDHSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040725258 673243980 /nfs/dbraw/zinc/24/39/80/673243980.db2.gz UZCNJZTUHNCOGV-NHYWBVRUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040725259 673243958 /nfs/dbraw/zinc/24/39/58/673243958.db2.gz UZCNJZTUHNCOGV-XHDPSFHLSA-N 1 0 341.412 -1.911 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)CN3CCOCC3=O)C2)CC1 ZINC001040729316 673244854 /nfs/dbraw/zinc/24/48/54/673244854.db2.gz FTJWEONNXBOIDJ-UHFFFAOYSA-N 1 0 338.408 -1.355 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001040731768 673244771 /nfs/dbraw/zinc/24/47/71/673244771.db2.gz NNDOUWJSZHWRME-JTQLQIEISA-N 1 0 337.380 -1.616 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040739909 673245650 /nfs/dbraw/zinc/24/56/50/673245650.db2.gz YJLYXZXMLGSKPZ-ABAIWWIYSA-N 1 0 338.408 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040739910 673245788 /nfs/dbraw/zinc/24/57/88/673245788.db2.gz YJLYXZXMLGSKPZ-IAQYHMDHSA-N 1 0 338.408 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040739912 673245671 /nfs/dbraw/zinc/24/56/71/673245671.db2.gz YJLYXZXMLGSKPZ-NHYWBVRUSA-N 1 0 338.408 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040739913 673245749 /nfs/dbraw/zinc/24/57/49/673245749.db2.gz YJLYXZXMLGSKPZ-XHDPSFHLSA-N 1 0 338.408 -1.574 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040740148 673245730 /nfs/dbraw/zinc/24/57/30/673245730.db2.gz DSAKZAYFUFCIPQ-AWEZNQCLSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040740149 673245717 /nfs/dbraw/zinc/24/57/17/673245717.db2.gz DSAKZAYFUFCIPQ-CQSZACIVSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001040740498 673245983 /nfs/dbraw/zinc/24/59/83/673245983.db2.gz HGNSCQDTCRKEEF-HNNXBMFYSA-N 1 0 338.408 -1.573 20 0 EAADRO NC(=O)C1(C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001040740502 673246129 /nfs/dbraw/zinc/24/61/29/673246129.db2.gz HGNSCQDTCRKEEF-OAHLLOKOSA-N 1 0 338.408 -1.573 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040740704 673245993 /nfs/dbraw/zinc/24/59/93/673245993.db2.gz HZUNSXPZGLZKAR-HNNXBMFYSA-N 1 0 340.424 -1.327 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040740705 673246093 /nfs/dbraw/zinc/24/60/93/673246093.db2.gz HZUNSXPZGLZKAR-OAHLLOKOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040740728 669839654 /nfs/dbraw/zinc/83/96/54/669839654.db2.gz ILRYFVHOEDEPFM-HNNXBMFYSA-N 1 0 340.424 -1.327 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040740729 669839731 /nfs/dbraw/zinc/83/97/31/669839731.db2.gz ILRYFVHOEDEPFM-OAHLLOKOSA-N 1 0 340.424 -1.327 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040741165 673246262 /nfs/dbraw/zinc/24/62/62/673246262.db2.gz LTHUDSZBKBMLCC-HNNXBMFYSA-N 1 0 335.364 -1.674 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040741168 673246439 /nfs/dbraw/zinc/24/64/39/673246439.db2.gz LTHUDSZBKBMLCC-OAHLLOKOSA-N 1 0 335.364 -1.674 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)cc1 ZINC001040741210 673246311 /nfs/dbraw/zinc/24/63/11/673246311.db2.gz MCMHWBVVEWPHML-KRWDZBQOSA-N 1 0 348.403 -1.073 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)cc1 ZINC001040741213 673246430 /nfs/dbraw/zinc/24/64/30/673246430.db2.gz MCMHWBVVEWPHML-QGZVFWFLSA-N 1 0 348.403 -1.073 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040741284 669840081 /nfs/dbraw/zinc/84/00/81/669840081.db2.gz NBBUJVYAFNJOMR-HNNXBMFYSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040741288 669840188 /nfs/dbraw/zinc/84/01/88/669840188.db2.gz NBBUJVYAFNJOMR-OAHLLOKOSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040742063 673246915 /nfs/dbraw/zinc/24/69/15/673246915.db2.gz DFMPAXYQWCMGSP-HNNXBMFYSA-N 1 0 338.364 -1.480 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040742064 673247073 /nfs/dbraw/zinc/24/70/73/673247073.db2.gz DFMPAXYQWCMGSP-OAHLLOKOSA-N 1 0 338.364 -1.480 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)C(C)C ZINC001040742597 673247263 /nfs/dbraw/zinc/24/72/63/673247263.db2.gz HGFBDTNTBXLZRM-BLLLJJGKSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)C(C)C ZINC001040742598 673247380 /nfs/dbraw/zinc/24/73/80/673247380.db2.gz HGFBDTNTBXLZRM-LRDDRELGSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)C(C)C ZINC001040742600 673247364 /nfs/dbraw/zinc/24/73/64/673247364.db2.gz HGFBDTNTBXLZRM-MLGOLLRUSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)C(C)C ZINC001040742603 673247376 /nfs/dbraw/zinc/24/73/76/673247376.db2.gz HGFBDTNTBXLZRM-WBMJQRKESA-N 1 0 342.440 -1.082 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040743032 673247553 /nfs/dbraw/zinc/24/75/53/673247553.db2.gz SAJHPJBJIVGSIQ-HNNXBMFYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040743035 673247723 /nfs/dbraw/zinc/24/77/23/673247723.db2.gz SAJHPJBJIVGSIQ-OAHLLOKOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001040743258 673247547 /nfs/dbraw/zinc/24/75/47/673247547.db2.gz TZRPSQSKSHRNRI-ABAIWWIYSA-N 1 0 338.408 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001040743268 673247575 /nfs/dbraw/zinc/24/75/75/673247575.db2.gz TZRPSQSKSHRNRI-IAQYHMDHSA-N 1 0 338.408 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001040743275 673247549 /nfs/dbraw/zinc/24/75/49/673247549.db2.gz TZRPSQSKSHRNRI-NHYWBVRUSA-N 1 0 338.408 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001040743283 673247758 /nfs/dbraw/zinc/24/77/58/673247758.db2.gz TZRPSQSKSHRNRI-XHDPSFHLSA-N 1 0 338.408 -1.717 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040743521 673247977 /nfs/dbraw/zinc/24/79/77/673247977.db2.gz NRSSVSSBDRTGQQ-INIZCTEOSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040743522 673248072 /nfs/dbraw/zinc/24/80/72/673248072.db2.gz NRSSVSSBDRTGQQ-MRXNPFEDSA-N 1 0 340.424 -1.328 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001040743661 673248057 /nfs/dbraw/zinc/24/80/57/673248057.db2.gz UYEPWTSYXDUKPW-HNNXBMFYSA-N 1 0 331.332 -1.487 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001040743663 673247955 /nfs/dbraw/zinc/24/79/55/673247955.db2.gz UYEPWTSYXDUKPW-OAHLLOKOSA-N 1 0 331.332 -1.487 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040743831 673248210 /nfs/dbraw/zinc/24/82/10/673248210.db2.gz WMUDSAGOEPDKDV-ABAIWWIYSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040743835 673248320 /nfs/dbraw/zinc/24/83/20/673248320.db2.gz WMUDSAGOEPDKDV-IAQYHMDHSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040743839 673248409 /nfs/dbraw/zinc/24/84/09/673248409.db2.gz WMUDSAGOEPDKDV-NHYWBVRUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001040743841 673248340 /nfs/dbraw/zinc/24/83/40/673248340.db2.gz WMUDSAGOEPDKDV-XHDPSFHLSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001040743963 673248375 /nfs/dbraw/zinc/24/83/75/673248375.db2.gz RIXRAQJVVMLADZ-INIZCTEOSA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001040743964 673248168 /nfs/dbraw/zinc/24/81/68/673248168.db2.gz RIXRAQJVVMLADZ-MRXNPFEDSA-N 1 0 340.424 -1.184 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040744037 673248485 /nfs/dbraw/zinc/24/84/85/673248485.db2.gz WSNOUPNCNWPAJN-HNNXBMFYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040744039 673248748 /nfs/dbraw/zinc/24/87/48/673248748.db2.gz SGCRUNLQCLFQIE-HNNXBMFYSA-N 1 0 342.396 -2.338 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040744040 673248693 /nfs/dbraw/zinc/24/86/93/673248693.db2.gz SGCRUNLQCLFQIE-OAHLLOKOSA-N 1 0 342.396 -2.338 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001040744041 673248471 /nfs/dbraw/zinc/24/84/71/673248471.db2.gz WSNOUPNCNWPAJN-OAHLLOKOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1CC[NH+](CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040744500 669841091 /nfs/dbraw/zinc/84/10/91/669841091.db2.gz YRKPVLASWGJRIK-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO CC1CC[NH+](CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040744501 669840997 /nfs/dbraw/zinc/84/09/97/669840997.db2.gz YRKPVLASWGJRIK-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040745392 673249508 /nfs/dbraw/zinc/24/95/08/673249508.db2.gz ANNZOUIBDKFMHR-BLLLJJGKSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040745393 673249409 /nfs/dbraw/zinc/24/94/09/673249409.db2.gz ANNZOUIBDKFMHR-LRDDRELGSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040745394 673249384 /nfs/dbraw/zinc/24/93/84/673249384.db2.gz ANNZOUIBDKFMHR-MLGOLLRUSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040745395 673249413 /nfs/dbraw/zinc/24/94/13/673249413.db2.gz ANNZOUIBDKFMHR-WBMJQRKESA-N 1 0 340.424 -1.186 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+](CC)CC ZINC001040745952 673249905 /nfs/dbraw/zinc/24/99/05/673249905.db2.gz FPSUCYQVUIQHDF-ABAIWWIYSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+](CC)CC ZINC001040745953 669841834 /nfs/dbraw/zinc/84/18/34/669841834.db2.gz FPSUCYQVUIQHDF-IAQYHMDHSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+](CC)CC ZINC001040745954 669841584 /nfs/dbraw/zinc/84/15/84/669841584.db2.gz FPSUCYQVUIQHDF-NHYWBVRUSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+](CC)CC ZINC001040745955 669841762 /nfs/dbraw/zinc/84/17/62/669841762.db2.gz FPSUCYQVUIQHDF-XHDPSFHLSA-N 1 0 328.413 -1.328 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)CC(C)(C)C ZINC001040746138 673250061 /nfs/dbraw/zinc/25/00/61/673250061.db2.gz HSYXEZXDKYFDTM-HNNXBMFYSA-N 1 0 328.413 -1.471 20 0 EAADRO C[N@H+](CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)CC(C)(C)C ZINC001040746140 673249993 /nfs/dbraw/zinc/24/99/93/673249993.db2.gz HSYXEZXDKYFDTM-OAHLLOKOSA-N 1 0 328.413 -1.471 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040746210 673249977 /nfs/dbraw/zinc/24/99/77/673249977.db2.gz ITJNBBLAGOFICZ-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040746211 673250229 /nfs/dbraw/zinc/25/02/29/673250229.db2.gz ITJNBBLAGOFICZ-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040746710 673250481 /nfs/dbraw/zinc/25/04/81/673250481.db2.gz LVTOYCGHLUVXDY-BLLLJJGKSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040746711 673250533 /nfs/dbraw/zinc/25/05/33/673250533.db2.gz LVTOYCGHLUVXDY-LRDDRELGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040746712 673250349 /nfs/dbraw/zinc/25/03/49/673250349.db2.gz LVTOYCGHLUVXDY-MLGOLLRUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040746714 673250576 /nfs/dbraw/zinc/25/05/76/673250576.db2.gz LVTOYCGHLUVXDY-WBMJQRKESA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040746916 673250694 /nfs/dbraw/zinc/25/06/94/673250694.db2.gz MYVUUSCOTRUXGV-ABAIWWIYSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040746917 673250676 /nfs/dbraw/zinc/25/06/76/673250676.db2.gz MYVUUSCOTRUXGV-IAQYHMDHSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040746919 673250782 /nfs/dbraw/zinc/25/07/82/673250782.db2.gz MYVUUSCOTRUXGV-NHYWBVRUSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040746920 673250831 /nfs/dbraw/zinc/25/08/31/673250831.db2.gz MYVUUSCOTRUXGV-XHDPSFHLSA-N 1 0 326.397 -1.576 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040746924 673250674 /nfs/dbraw/zinc/25/06/74/673250674.db2.gz NCLHGIHNXTYJMX-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC1 ZINC001040746925 673250846 /nfs/dbraw/zinc/25/08/46/673250846.db2.gz NCLHGIHNXTYJMX-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001040747647 673251113 /nfs/dbraw/zinc/25/11/13/673251113.db2.gz UCYCYMWSMYTSSP-BLLLJJGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001040747649 673251074 /nfs/dbraw/zinc/25/10/74/673251074.db2.gz UCYCYMWSMYTSSP-LRDDRELGSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001040747650 673251221 /nfs/dbraw/zinc/25/12/21/673251221.db2.gz UCYCYMWSMYTSSP-MLGOLLRUSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001040747652 673251203 /nfs/dbraw/zinc/25/12/03/673251203.db2.gz UCYCYMWSMYTSSP-WBMJQRKESA-N 1 0 340.424 -1.184 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040747741 673251077 /nfs/dbraw/zinc/25/10/77/673251077.db2.gz VEFAROFHQKXRRZ-HZMBPMFUSA-N 1 0 332.376 -1.769 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040747743 673251399 /nfs/dbraw/zinc/25/13/99/673251399.db2.gz VEFAROFHQKXRRZ-IINYFYTJSA-N 1 0 332.376 -1.769 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040747744 673251369 /nfs/dbraw/zinc/25/13/69/673251369.db2.gz VEFAROFHQKXRRZ-QMTHXVAHSA-N 1 0 332.376 -1.769 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040747746 673251513 /nfs/dbraw/zinc/25/15/13/673251513.db2.gz VEFAROFHQKXRRZ-YGRLFVJLSA-N 1 0 332.376 -1.769 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040748031 673251559 /nfs/dbraw/zinc/25/15/59/673251559.db2.gz XHKPNDQVYJXBFW-BLLLJJGKSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040748033 673251469 /nfs/dbraw/zinc/25/14/69/673251469.db2.gz XHKPNDQVYJXBFW-LRDDRELGSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040748034 673251494 /nfs/dbraw/zinc/25/14/94/673251494.db2.gz XHKPNDQVYJXBFW-MLGOLLRUSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040748035 673251541 /nfs/dbraw/zinc/25/15/41/673251541.db2.gz XHKPNDQVYJXBFW-WBMJQRKESA-N 1 0 340.424 -1.186 20 0 EAADRO CN(CCC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)c1cc[nH+]cc1 ZINC001040748224 673251547 /nfs/dbraw/zinc/25/15/47/673251547.db2.gz YQDKFGVKRUIHFS-INIZCTEOSA-N 1 0 349.391 -1.527 20 0 EAADRO CN(CCC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)c1cc[nH+]cc1 ZINC001040748225 673251438 /nfs/dbraw/zinc/25/14/38/673251438.db2.gz YQDKFGVKRUIHFS-MRXNPFEDSA-N 1 0 349.391 -1.527 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001040748437 669845216 /nfs/dbraw/zinc/84/52/16/669845216.db2.gz AATBICSGEZTHMD-INIZCTEOSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001040748438 669845424 /nfs/dbraw/zinc/84/54/24/669845424.db2.gz AATBICSGEZTHMD-MRXNPFEDSA-N 1 0 340.424 -1.183 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040749323 673252097 /nfs/dbraw/zinc/25/20/97/673252097.db2.gz IQPZRWJFKLHJNI-ABAIWWIYSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040749325 673252003 /nfs/dbraw/zinc/25/20/03/673252003.db2.gz IQPZRWJFKLHJNI-IAQYHMDHSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040749326 673252008 /nfs/dbraw/zinc/25/20/08/673252008.db2.gz IQPZRWJFKLHJNI-NHYWBVRUSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040749327 673252142 /nfs/dbraw/zinc/25/21/42/673252142.db2.gz IQPZRWJFKLHJNI-XHDPSFHLSA-N 1 0 342.396 -2.480 20 0 EAADRO Cc1c(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001040751383 673252827 /nfs/dbraw/zinc/25/28/27/673252827.db2.gz WFUCPQLJSFUMJW-INIZCTEOSA-N 1 0 345.359 -1.179 20 0 EAADRO Cc1c(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001040751385 673252862 /nfs/dbraw/zinc/25/28/62/673252862.db2.gz WFUCPQLJSFUMJW-MRXNPFEDSA-N 1 0 345.359 -1.179 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040752179 673252842 /nfs/dbraw/zinc/25/28/42/673252842.db2.gz HUZUGLKAODLWRH-KRWDZBQOSA-N 1 0 348.403 -1.073 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040752180 673252660 /nfs/dbraw/zinc/25/26/60/673252660.db2.gz HUZUGLKAODLWRH-QGZVFWFLSA-N 1 0 348.403 -1.073 20 0 EAADRO C[NH+](C)C1(CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CCCC1 ZINC001040752189 673253110 /nfs/dbraw/zinc/25/31/10/673253110.db2.gz HWEGLBMXIRAMOC-INIZCTEOSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)C1(CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CCCC1 ZINC001040752190 673253207 /nfs/dbraw/zinc/25/32/07/673253207.db2.gz HWEGLBMXIRAMOC-MRXNPFEDSA-N 1 0 340.424 -1.184 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040752266 673253099 /nfs/dbraw/zinc/25/30/99/673253099.db2.gz IUQNYLFRXQMCGG-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040752267 669849581 /nfs/dbraw/zinc/84/95/81/669849581.db2.gz IUQNYLFRXQMCGG-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040752269 669849624 /nfs/dbraw/zinc/84/96/24/669849624.db2.gz IUQNYLFRXQMCGG-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040752271 669849549 /nfs/dbraw/zinc/84/95/49/669849549.db2.gz IUQNYLFRXQMCGG-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO Cn1cnn(CC(=O)N2CCC3(C2)CC[NH+](CC(N)=O)CC3)c1=O ZINC001040752619 669850045 /nfs/dbraw/zinc/85/00/45/669850045.db2.gz KSMDPQHCKDHCDW-UHFFFAOYSA-N 1 0 336.396 -1.618 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001040752781 669850196 /nfs/dbraw/zinc/85/01/96/669850196.db2.gz MUIRLHJCZCBBKZ-HNNXBMFYSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001040752787 669850269 /nfs/dbraw/zinc/85/02/69/669850269.db2.gz MUIRLHJCZCBBKZ-OAHLLOKOSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001040753008 673253553 /nfs/dbraw/zinc/25/35/53/673253553.db2.gz NVQMQMZFKFXXEF-HNNXBMFYSA-N 1 0 331.332 -1.487 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001040753009 673253545 /nfs/dbraw/zinc/25/35/45/673253545.db2.gz NVQMQMZFKFXXEF-OAHLLOKOSA-N 1 0 331.332 -1.487 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040753268 673253878 /nfs/dbraw/zinc/25/38/78/673253878.db2.gz RBEIZXNVGZITLM-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040753269 673253688 /nfs/dbraw/zinc/25/36/88/673253688.db2.gz RBEIZXNVGZITLM-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040753271 673253895 /nfs/dbraw/zinc/25/38/95/673253895.db2.gz RBEIZXNVGZITLM-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040753272 673253864 /nfs/dbraw/zinc/25/38/64/673253864.db2.gz RBEIZXNVGZITLM-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)c1 ZINC001040753276 673253812 /nfs/dbraw/zinc/25/38/12/673253812.db2.gz RCPRRBJZGXELON-KRWDZBQOSA-N 1 0 348.403 -1.073 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)c1 ZINC001040753277 673253828 /nfs/dbraw/zinc/25/38/28/673253828.db2.gz RCPRRBJZGXELON-QGZVFWFLSA-N 1 0 348.403 -1.073 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001040753424 673254104 /nfs/dbraw/zinc/25/41/04/673254104.db2.gz RNGPFOTXFMVIRP-FIXISWKDSA-N 1 0 326.397 -1.718 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001040753425 673254063 /nfs/dbraw/zinc/25/40/63/673254063.db2.gz RNGPFOTXFMVIRP-RWSFTLGLSA-N 1 0 326.397 -1.718 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001040753442 673254204 /nfs/dbraw/zinc/25/42/04/673254204.db2.gz RPRNDCNRRJUTLT-INIZCTEOSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001040753444 673254222 /nfs/dbraw/zinc/25/42/22/673254222.db2.gz RPRNDCNRRJUTLT-MRXNPFEDSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040753561 673254338 /nfs/dbraw/zinc/25/43/38/673254338.db2.gz UGPZWJNHKHPWBQ-BLLLJJGKSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040753563 673254498 /nfs/dbraw/zinc/25/44/98/673254498.db2.gz UGPZWJNHKHPWBQ-LRDDRELGSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040753565 673254372 /nfs/dbraw/zinc/25/43/72/673254372.db2.gz UGPZWJNHKHPWBQ-MLGOLLRUSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001040753567 673254480 /nfs/dbraw/zinc/25/44/80/673254480.db2.gz UGPZWJNHKHPWBQ-WBMJQRKESA-N 1 0 338.408 -1.574 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040753833 673254388 /nfs/dbraw/zinc/25/43/88/673254388.db2.gz CPUDRJRDZVEMDL-BLLLJJGKSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040753836 673254325 /nfs/dbraw/zinc/25/43/25/673254325.db2.gz CPUDRJRDZVEMDL-LRDDRELGSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040753838 673254779 /nfs/dbraw/zinc/25/47/79/673254779.db2.gz CPUDRJRDZVEMDL-MLGOLLRUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040753841 673254939 /nfs/dbraw/zinc/25/49/39/673254939.db2.gz CPUDRJRDZVEMDL-WBMJQRKESA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040753843 673254368 /nfs/dbraw/zinc/25/43/68/673254368.db2.gz VNIRBRBOWYTFCU-BLLLJJGKSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040753845 673254504 /nfs/dbraw/zinc/25/45/04/673254504.db2.gz VNIRBRBOWYTFCU-LRDDRELGSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040753847 673254466 /nfs/dbraw/zinc/25/44/66/673254466.db2.gz VNIRBRBOWYTFCU-MLGOLLRUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[C@H](C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040753848 673254850 /nfs/dbraw/zinc/25/48/50/673254850.db2.gz VNIRBRBOWYTFCU-WBMJQRKESA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040754051 669850984 /nfs/dbraw/zinc/85/09/84/669850984.db2.gz DOVMTKXHQLUUPQ-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040754053 669851162 /nfs/dbraw/zinc/85/11/62/669851162.db2.gz DOVMTKXHQLUUPQ-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040754056 669850765 /nfs/dbraw/zinc/85/07/65/669850765.db2.gz DOVMTKXHQLUUPQ-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040754060 669850780 /nfs/dbraw/zinc/85/07/80/669850780.db2.gz DOVMTKXHQLUUPQ-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040754137 669850429 /nfs/dbraw/zinc/85/04/29/669850429.db2.gz DZUUZSZHZUJTSR-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040754140 669850609 /nfs/dbraw/zinc/85/06/09/669850609.db2.gz DZUUZSZHZUJTSR-LRDDRELGSA-N 1 0 340.424 -1.327 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040754146 669850578 /nfs/dbraw/zinc/85/05/78/669850578.db2.gz DZUUZSZHZUJTSR-MLGOLLRUSA-N 1 0 340.424 -1.327 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040754154 669850635 /nfs/dbraw/zinc/85/06/35/669850635.db2.gz DZUUZSZHZUJTSR-WBMJQRKESA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001040754191 673254740 /nfs/dbraw/zinc/25/47/40/673254740.db2.gz WVSQUMUHXIXSIM-HNNXBMFYSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001040754193 673254745 /nfs/dbraw/zinc/25/47/45/673254745.db2.gz WVSQUMUHXIXSIM-OAHLLOKOSA-N 1 0 326.397 -1.573 20 0 EAADRO CC(C)(C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040754529 673255295 /nfs/dbraw/zinc/25/52/95/673255295.db2.gz ZVCJNQKIJIKCOO-HNNXBMFYSA-N 1 0 326.397 -1.574 20 0 EAADRO CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001040754532 673255207 /nfs/dbraw/zinc/25/52/07/673255207.db2.gz ZVCJNQKIJIKCOO-OAHLLOKOSA-N 1 0 326.397 -1.574 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001040755219 669851509 /nfs/dbraw/zinc/85/15/09/669851509.db2.gz NBMKEDZIPSARDQ-INIZCTEOSA-N 1 0 338.408 -1.573 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001040755227 669851604 /nfs/dbraw/zinc/85/16/04/669851604.db2.gz NBMKEDZIPSARDQ-MRXNPFEDSA-N 1 0 338.408 -1.573 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001040756818 673255861 /nfs/dbraw/zinc/25/58/61/673255861.db2.gz YIUKCNBTUMGDMI-PGUXBMHVSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001040756821 673255841 /nfs/dbraw/zinc/25/58/41/673255841.db2.gz YIUKCNBTUMGDMI-ZIBATOQPSA-N 1 0 326.397 -1.718 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CC1 ZINC001040763650 673256588 /nfs/dbraw/zinc/25/65/88/673256588.db2.gz PQMUVAHUVTVCGH-UHFFFAOYSA-N 1 0 349.391 -1.251 20 0 EAADRO CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001040772676 673257550 /nfs/dbraw/zinc/25/75/50/673257550.db2.gz OGUQXQUNDFYMNA-HNNXBMFYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001040772677 669860220 /nfs/dbraw/zinc/86/02/20/669860220.db2.gz OGUQXQUNDFYMNA-OAHLLOKOSA-N 1 0 338.412 -1.057 20 0 EAADRO Cc1nonc1CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040779509 673258374 /nfs/dbraw/zinc/25/83/74/673258374.db2.gz ZBPVOIAUPLZBCE-HNNXBMFYSA-N 1 0 339.396 -1.048 20 0 EAADRO Cc1nonc1CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040779510 673258215 /nfs/dbraw/zinc/25/82/15/673258215.db2.gz ZBPVOIAUPLZBCE-OAHLLOKOSA-N 1 0 339.396 -1.048 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001040781177 673258246 /nfs/dbraw/zinc/25/82/46/673258246.db2.gz MCWBVKMXXWFBCG-INIZCTEOSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC1 ZINC001040781179 673258194 /nfs/dbraw/zinc/25/81/94/673258194.db2.gz MCWBVKMXXWFBCG-MRXNPFEDSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001040791792 673259090 /nfs/dbraw/zinc/25/90/90/673259090.db2.gz WGCXDEXYUAIOEM-CJNGLKHVSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001040791794 673259195 /nfs/dbraw/zinc/25/91/95/673259195.db2.gz WGCXDEXYUAIOEM-CZUORRHYSA-N 1 0 343.424 -1.319 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040793673 673259599 /nfs/dbraw/zinc/25/95/99/673259599.db2.gz AFFHTGCVNNWHRW-BBRMVZONSA-N 1 0 342.440 -1.652 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040793675 673259498 /nfs/dbraw/zinc/25/94/98/673259498.db2.gz AFFHTGCVNNWHRW-CJNGLKHVSA-N 1 0 342.440 -1.652 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040793676 673259556 /nfs/dbraw/zinc/25/95/56/673259556.db2.gz AFFHTGCVNNWHRW-CZUORRHYSA-N 1 0 342.440 -1.652 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040793678 673259558 /nfs/dbraw/zinc/25/95/58/673259558.db2.gz AFFHTGCVNNWHRW-XJKSGUPXSA-N 1 0 342.440 -1.652 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001040793695 669872172 /nfs/dbraw/zinc/87/21/72/669872172.db2.gz AKIHGJVEAYJZMA-CYBMUJFWSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 ZINC001040793698 669872092 /nfs/dbraw/zinc/87/20/92/669872092.db2.gz AKIHGJVEAYJZMA-ZDUSSCGKSA-N 1 0 325.373 -2.296 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)o1 ZINC001040793699 669872030 /nfs/dbraw/zinc/87/20/30/669872030.db2.gz ALCQICJGCINYFU-HNNXBMFYSA-N 1 0 339.396 -1.048 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)o1 ZINC001040793701 669872117 /nfs/dbraw/zinc/87/21/17/669872117.db2.gz ALCQICJGCINYFU-OAHLLOKOSA-N 1 0 339.396 -1.048 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2nccnc2N)C1 ZINC001040793725 673259437 /nfs/dbraw/zinc/25/94/37/673259437.db2.gz APFVUZJJFMQRLI-HNNXBMFYSA-N 1 0 336.396 -1.296 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2nccnc2N)C1 ZINC001040793726 673259594 /nfs/dbraw/zinc/25/95/94/673259594.db2.gz APFVUZJJFMQRLI-OAHLLOKOSA-N 1 0 336.396 -1.296 20 0 EAADRO Cn1cc(CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001040793796 673259547 /nfs/dbraw/zinc/25/95/47/673259547.db2.gz BFJQVUUPTRFENR-INIZCTEOSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001040793797 673259552 /nfs/dbraw/zinc/25/95/52/673259552.db2.gz BFJQVUUPTRFENR-MRXNPFEDSA-N 1 0 337.424 -1.006 20 0 EAADRO CCNC(=O)CCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040793799 673259550 /nfs/dbraw/zinc/25/95/50/673259550.db2.gz BFUUPNOVQLCZJX-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCNC(=O)CCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040793802 673259405 /nfs/dbraw/zinc/25/94/05/673259405.db2.gz BFUUPNOVQLCZJX-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001040793808 673259411 /nfs/dbraw/zinc/25/94/11/673259411.db2.gz BJEQGAVIKMPVHA-BLLLJJGKSA-N 1 0 341.408 -1.029 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001040793810 673259429 /nfs/dbraw/zinc/25/94/29/673259429.db2.gz BJEQGAVIKMPVHA-LRDDRELGSA-N 1 0 341.408 -1.029 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001040793811 669871971 /nfs/dbraw/zinc/87/19/71/669871971.db2.gz BJEQGAVIKMPVHA-MLGOLLRUSA-N 1 0 341.408 -1.029 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001040793812 669871897 /nfs/dbraw/zinc/87/18/97/669871897.db2.gz BJEQGAVIKMPVHA-WBMJQRKESA-N 1 0 341.408 -1.029 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001040794606 669872217 /nfs/dbraw/zinc/87/22/17/669872217.db2.gz GHCWIXAIOWCZOG-DOMZBBRYSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 ZINC001040794609 669872277 /nfs/dbraw/zinc/87/22/77/669872277.db2.gz GHCWIXAIOWCZOG-IUODEOHRSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001040794618 669872233 /nfs/dbraw/zinc/87/22/33/669872233.db2.gz GHCWIXAIOWCZOG-SWLSCSKDSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001040794625 669872599 /nfs/dbraw/zinc/87/25/99/669872599.db2.gz GHCWIXAIOWCZOG-WFASDCNBSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001040795217 673259540 /nfs/dbraw/zinc/25/95/40/673259540.db2.gz IINBGQYOYKBEJD-HZMBPMFUSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001040795218 673259510 /nfs/dbraw/zinc/25/95/10/673259510.db2.gz IINBGQYOYKBEJD-IINYFYTJSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001040795219 673259543 /nfs/dbraw/zinc/25/95/43/673259543.db2.gz IINBGQYOYKBEJD-QMTHXVAHSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001040795220 673259484 /nfs/dbraw/zinc/25/94/84/673259484.db2.gz IINBGQYOYKBEJD-YGRLFVJLSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001040795265 673259569 /nfs/dbraw/zinc/25/95/69/673259569.db2.gz JALZSICPKQXDFA-INIZCTEOSA-N 1 0 336.392 -1.035 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001040795268 673259420 /nfs/dbraw/zinc/25/94/20/673259420.db2.gz JALZSICPKQXDFA-MRXNPFEDSA-N 1 0 336.392 -1.035 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795287 673259537 /nfs/dbraw/zinc/25/95/37/673259537.db2.gz JKUSQKCWXKURES-HNNXBMFYSA-N 1 0 328.413 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795289 673259808 /nfs/dbraw/zinc/25/98/08/673259808.db2.gz JKUSQKCWXKURES-OAHLLOKOSA-N 1 0 328.413 -1.504 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795447 673259900 /nfs/dbraw/zinc/25/99/00/673259900.db2.gz KDSYTLMCSWENLW-HNNXBMFYSA-N 1 0 328.413 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795450 673259852 /nfs/dbraw/zinc/25/98/52/673259852.db2.gz KDSYTLMCSWENLW-OAHLLOKOSA-N 1 0 328.413 -1.456 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795457 673259804 /nfs/dbraw/zinc/25/98/04/673259804.db2.gz KELFVBSVEQXSIJ-HNNXBMFYSA-N 1 0 328.413 -1.456 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795460 673259835 /nfs/dbraw/zinc/25/98/35/673259835.db2.gz KELFVBSVEQXSIJ-OAHLLOKOSA-N 1 0 328.413 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001040795529 673259830 /nfs/dbraw/zinc/25/98/30/673259830.db2.gz LMIDSRYFKVCRAN-AWEZNQCLSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001040795530 673259860 /nfs/dbraw/zinc/25/98/60/673259860.db2.gz LMIDSRYFKVCRAN-CQSZACIVSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001040795543 673259864 /nfs/dbraw/zinc/25/98/64/673259864.db2.gz LTBMFPRMLLHRRH-INIZCTEOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001040795544 673259856 /nfs/dbraw/zinc/25/98/56/673259856.db2.gz LTBMFPRMLLHRRH-MRXNPFEDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795547 673259744 /nfs/dbraw/zinc/25/97/44/673259744.db2.gz LTZDLHMBICPRAS-HZMBPMFUSA-N 1 0 329.401 -1.926 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795548 673259843 /nfs/dbraw/zinc/25/98/43/673259843.db2.gz LTZDLHMBICPRAS-IINYFYTJSA-N 1 0 329.401 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001040795581 673259729 /nfs/dbraw/zinc/25/97/29/673259729.db2.gz MSYYWOXNVHAOOV-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001040795582 673259818 /nfs/dbraw/zinc/25/98/18/673259818.db2.gz MSYYWOXNVHAOOV-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001040795583 673259866 /nfs/dbraw/zinc/25/98/66/673259866.db2.gz MSYYWOXNVHAOOV-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001040795584 673259930 /nfs/dbraw/zinc/25/99/30/673259930.db2.gz MSYYWOXNVHAOOV-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001040795603 673259787 /nfs/dbraw/zinc/25/97/87/673259787.db2.gz MYZHFHWGLBEGLV-CYBMUJFWSA-N 1 0 335.426 -1.938 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001040795604 673259882 /nfs/dbraw/zinc/25/98/82/673259882.db2.gz MYZHFHWGLBEGLV-ZDUSSCGKSA-N 1 0 335.426 -1.938 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795619 673259876 /nfs/dbraw/zinc/25/98/76/673259876.db2.gz NFODECXPKONYGU-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795620 673259801 /nfs/dbraw/zinc/25/98/01/673259801.db2.gz NFODECXPKONYGU-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO COCCOCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795623 673259893 /nfs/dbraw/zinc/25/98/93/673259893.db2.gz NHWZTAGFCVZTQO-HNNXBMFYSA-N 1 0 331.413 -1.319 20 0 EAADRO COCCOCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795624 673259871 /nfs/dbraw/zinc/25/98/71/673259871.db2.gz NHWZTAGFCVZTQO-OAHLLOKOSA-N 1 0 331.413 -1.319 20 0 EAADRO CNC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795661 673259880 /nfs/dbraw/zinc/25/98/80/673259880.db2.gz OGMOSQUCSDCPMO-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CNC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795662 673259839 /nfs/dbraw/zinc/25/98/39/673259839.db2.gz OGMOSQUCSDCPMO-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040795669 673259750 /nfs/dbraw/zinc/25/97/50/673259750.db2.gz OKLOTJUEQIFPPL-INIZCTEOSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040795670 673259776 /nfs/dbraw/zinc/25/97/76/673259776.db2.gz OKLOTJUEQIFPPL-MRXNPFEDSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2=COCCO2)C1 ZINC001040795671 673259906 /nfs/dbraw/zinc/25/99/06/673259906.db2.gz OLORMSYRBZGDPO-HNNXBMFYSA-N 1 0 327.381 -1.094 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2=COCCO2)C1 ZINC001040795672 669872732 /nfs/dbraw/zinc/87/27/32/669872732.db2.gz OLORMSYRBZGDPO-OAHLLOKOSA-N 1 0 327.381 -1.094 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)c1N ZINC001040795731 673259745 /nfs/dbraw/zinc/25/97/45/673259745.db2.gz PRLGCXQJTUPUTP-HNNXBMFYSA-N 1 0 338.412 -1.353 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)c1N ZINC001040795732 673259815 /nfs/dbraw/zinc/25/98/15/673259815.db2.gz PRLGCXQJTUPUTP-OAHLLOKOSA-N 1 0 338.412 -1.353 20 0 EAADRO Cn1nccc1CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795733 673259791 /nfs/dbraw/zinc/25/97/91/673259791.db2.gz PRZXPJGMYWJGTQ-INIZCTEOSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1nccc1CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795734 673259922 /nfs/dbraw/zinc/25/99/22/673259922.db2.gz PRZXPJGMYWJGTQ-MRXNPFEDSA-N 1 0 337.424 -1.006 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001040795747 673259925 /nfs/dbraw/zinc/25/99/25/673259925.db2.gz PZVHXFMPCKQSBL-HNNXBMFYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001040795748 673259779 /nfs/dbraw/zinc/25/97/79/673259779.db2.gz PZVHXFMPCKQSBL-OAHLLOKOSA-N 1 0 337.380 -1.173 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCn2ccnn2)C1 ZINC001040795868 673259798 /nfs/dbraw/zinc/25/97/98/673259798.db2.gz RCNRYOAHTPMMNG-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCn2ccnn2)C1 ZINC001040795870 673259877 /nfs/dbraw/zinc/25/98/77/673259877.db2.gz RCNRYOAHTPMMNG-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CN2CN=NC2=O)C1 ZINC001040795925 669872809 /nfs/dbraw/zinc/87/28/09/669872809.db2.gz RTNVEXYRAWADCY-AWEZNQCLSA-N 1 0 340.384 -1.985 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CN2CN=NC2=O)C1 ZINC001040795926 669872574 /nfs/dbraw/zinc/87/25/74/669872574.db2.gz RTNVEXYRAWADCY-CQSZACIVSA-N 1 0 340.384 -1.985 20 0 EAADRO Cn1oc(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001040795933 673259758 /nfs/dbraw/zinc/25/97/58/673259758.db2.gz RYUWPVOKRXXCMP-HNNXBMFYSA-N 1 0 340.380 -1.377 20 0 EAADRO Cn1oc(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001040795934 673259889 /nfs/dbraw/zinc/25/98/89/673259889.db2.gz RYUWPVOKRXXCMP-OAHLLOKOSA-N 1 0 340.380 -1.377 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795949 673259770 /nfs/dbraw/zinc/25/97/70/673259770.db2.gz SIECXQSQTMITPO-HNNXBMFYSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040795950 673259773 /nfs/dbraw/zinc/25/97/73/673259773.db2.gz SIECXQSQTMITPO-OAHLLOKOSA-N 1 0 343.428 -1.663 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001040796171 673259822 /nfs/dbraw/zinc/25/98/22/673259822.db2.gz UCQGIZPOSUJISE-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001040796172 673259914 /nfs/dbraw/zinc/25/99/14/673259914.db2.gz UCQGIZPOSUJISE-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040796313 673259783 /nfs/dbraw/zinc/25/97/83/673259783.db2.gz UXWGAPJKFYTALB-AWEZNQCLSA-N 1 0 330.385 -1.626 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040796314 673259724 /nfs/dbraw/zinc/25/97/24/673259724.db2.gz UXWGAPJKFYTALB-CQSZACIVSA-N 1 0 330.385 -1.626 20 0 EAADRO C[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)n1cncn1 ZINC001040796371 669872762 /nfs/dbraw/zinc/87/27/62/669872762.db2.gz WJGCLWYXUVERIE-DOMZBBRYSA-N 1 0 338.412 -1.130 20 0 EAADRO C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)n1cncn1 ZINC001040796372 669872699 /nfs/dbraw/zinc/87/26/99/669872699.db2.gz WJGCLWYXUVERIE-IUODEOHRSA-N 1 0 338.412 -1.130 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)n1cncn1 ZINC001040796373 669872757 /nfs/dbraw/zinc/87/27/57/669872757.db2.gz WJGCLWYXUVERIE-SWLSCSKDSA-N 1 0 338.412 -1.130 20 0 EAADRO C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)n1cncn1 ZINC001040796374 669872635 /nfs/dbraw/zinc/87/26/35/669872635.db2.gz WJGCLWYXUVERIE-WFASDCNBSA-N 1 0 338.412 -1.130 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001040796614 673259885 /nfs/dbraw/zinc/25/98/85/673259885.db2.gz XPANNRMCZUNQKV-ABAIWWIYSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001040796615 673259875 /nfs/dbraw/zinc/25/98/75/673259875.db2.gz XPANNRMCZUNQKV-IAQYHMDHSA-N 1 0 326.397 -1.704 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040796624 673259767 /nfs/dbraw/zinc/25/97/67/673259767.db2.gz XXTJLCHDRLBEEI-ABAIWWIYSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040796625 673259736 /nfs/dbraw/zinc/25/97/36/673259736.db2.gz XXTJLCHDRLBEEI-IAQYHMDHSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040796626 673259934 /nfs/dbraw/zinc/25/99/34/673259934.db2.gz XXTJLCHDRLBEEI-NHYWBVRUSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040796627 673259812 /nfs/dbraw/zinc/25/98/12/673259812.db2.gz XXTJLCHDRLBEEI-XHDPSFHLSA-N 1 0 328.413 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CN2CCOCC2)C1 ZINC001040796662 669872728 /nfs/dbraw/zinc/87/27/28/669872728.db2.gz YQUYACUUEOSUTD-INIZCTEOSA-N 1 0 342.440 -1.650 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CN2CCOCC2)C1 ZINC001040796663 669872683 /nfs/dbraw/zinc/87/26/83/669872683.db2.gz YQUYACUUEOSUTD-MRXNPFEDSA-N 1 0 342.440 -1.650 20 0 EAADRO Cc1c(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)nnn1C ZINC001040796666 673259870 /nfs/dbraw/zinc/25/98/70/673259870.db2.gz YSVXEVFGHJWKLS-HNNXBMFYSA-N 1 0 338.412 -1.232 20 0 EAADRO Cc1c(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)nnn1C ZINC001040796667 673259928 /nfs/dbraw/zinc/25/99/28/673259928.db2.gz YSVXEVFGHJWKLS-OAHLLOKOSA-N 1 0 338.412 -1.232 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CN2CCCC2=O)C1 ZINC001040796686 673259794 /nfs/dbraw/zinc/25/97/94/673259794.db2.gz ZAIXHOMRFOWBHQ-INIZCTEOSA-N 1 0 340.424 -1.360 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CN2CCCC2=O)C1 ZINC001040796687 673259868 /nfs/dbraw/zinc/25/98/68/673259868.db2.gz ZAIXHOMRFOWBHQ-MRXNPFEDSA-N 1 0 340.424 -1.360 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCn2cncn2)C1 ZINC001040796716 673259765 /nfs/dbraw/zinc/25/97/65/673259765.db2.gz ZISWZFHBYGZVFV-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCn2cncn2)C1 ZINC001040796717 673259873 /nfs/dbraw/zinc/25/98/73/673259873.db2.gz ZISWZFHBYGZVFV-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001040797133 673260307 /nfs/dbraw/zinc/26/03/07/673260307.db2.gz ATUVUXCGDIPMBI-HOTGVXAUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001040797134 673260080 /nfs/dbraw/zinc/26/00/80/673260080.db2.gz ATUVUXCGDIPMBI-JKSUJKDBSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001040797193 673260206 /nfs/dbraw/zinc/26/02/06/673260206.db2.gz CRXFYIQPBRLCDN-HNNXBMFYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001040797194 673260110 /nfs/dbraw/zinc/26/01/10/673260110.db2.gz CRXFYIQPBRLCDN-OAHLLOKOSA-N 1 0 337.380 -1.173 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCn2cnnn2)C1 ZINC001040797209 673260232 /nfs/dbraw/zinc/26/02/32/673260232.db2.gz DKVOMYHKYQNFCX-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCn2cnnn2)C1 ZINC001040797210 673260037 /nfs/dbraw/zinc/26/00/37/673260037.db2.gz DKVOMYHKYQNFCX-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001040797337 673260280 /nfs/dbraw/zinc/26/02/80/673260280.db2.gz DURVMNVNOSJVBA-HNNXBMFYSA-N 1 0 337.380 -1.585 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001040797338 673260271 /nfs/dbraw/zinc/26/02/71/673260271.db2.gz DURVMNVNOSJVBA-OAHLLOKOSA-N 1 0 337.380 -1.585 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001040797363 669873126 /nfs/dbraw/zinc/87/31/26/669873126.db2.gz FMOPUMXQRTYKGT-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001040797364 669873085 /nfs/dbraw/zinc/87/30/85/669873085.db2.gz FMOPUMXQRTYKGT-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001040797367 669873070 /nfs/dbraw/zinc/87/30/70/669873070.db2.gz FMOPUMXQRTYKGT-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001040797370 669872982 /nfs/dbraw/zinc/87/29/82/669872982.db2.gz FMOPUMXQRTYKGT-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001040797473 673260155 /nfs/dbraw/zinc/26/01/55/673260155.db2.gz GYFDCHAQQZBDDK-HNNXBMFYSA-N 1 0 339.396 -1.229 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001040797474 673260095 /nfs/dbraw/zinc/26/00/95/673260095.db2.gz GYFDCHAQQZBDDK-OAHLLOKOSA-N 1 0 339.396 -1.229 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001040797479 673260316 /nfs/dbraw/zinc/26/03/16/673260316.db2.gz HNCFQZXYEZNBEP-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001040797480 673260237 /nfs/dbraw/zinc/26/02/37/673260237.db2.gz HNCFQZXYEZNBEP-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001040797481 673260053 /nfs/dbraw/zinc/26/00/53/673260053.db2.gz HNCFQZXYEZNBEP-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001040797482 673260267 /nfs/dbraw/zinc/26/02/67/673260267.db2.gz HNCFQZXYEZNBEP-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001040797507 673260317 /nfs/dbraw/zinc/26/03/17/673260317.db2.gz IOFOSMKATJMAJR-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001040797508 673260062 /nfs/dbraw/zinc/26/00/62/673260062.db2.gz IOFOSMKATJMAJR-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001040797527 673260163 /nfs/dbraw/zinc/26/01/63/673260163.db2.gz JDETVKXXZRMAFR-BBRMVZONSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001040797528 673260144 /nfs/dbraw/zinc/26/01/44/673260144.db2.gz JDETVKXXZRMAFR-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001040797529 669873114 /nfs/dbraw/zinc/87/31/14/669873114.db2.gz JDETVKXXZRMAFR-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001040797530 669873213 /nfs/dbraw/zinc/87/32/13/669873213.db2.gz JDETVKXXZRMAFR-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001040797562 669873204 /nfs/dbraw/zinc/87/32/04/669873204.db2.gz JTCLMILTKFSKQR-CVEARBPZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001040797566 669873069 /nfs/dbraw/zinc/87/30/69/669873069.db2.gz JTCLMILTKFSKQR-HOTGVXAUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001040797567 669873056 /nfs/dbraw/zinc/87/30/56/669873056.db2.gz JTCLMILTKFSKQR-HZPDHXFCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001040797569 669873048 /nfs/dbraw/zinc/87/30/48/669873048.db2.gz JTCLMILTKFSKQR-JKSUJKDBSA-N 1 0 340.424 -1.456 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797571 669873042 /nfs/dbraw/zinc/87/30/42/669873042.db2.gz JTWQTDNZDRYPFV-HNNXBMFYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797575 669873167 /nfs/dbraw/zinc/87/31/67/669873167.db2.gz JTWQTDNZDRYPFV-OAHLLOKOSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001040797628 673260213 /nfs/dbraw/zinc/26/02/13/673260213.db2.gz KMEKGLNRPJVZDC-HNNXBMFYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001040797630 673260306 /nfs/dbraw/zinc/26/03/06/673260306.db2.gz KMEKGLNRPJVZDC-OAHLLOKOSA-N 1 0 338.412 -1.057 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001040797890 673260128 /nfs/dbraw/zinc/26/01/28/673260128.db2.gz MUYOUFIAFWGHJS-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001040797893 673260178 /nfs/dbraw/zinc/26/01/78/673260178.db2.gz MUYOUFIAFWGHJS-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001040797923 673260113 /nfs/dbraw/zinc/26/01/13/673260113.db2.gz NBVSOPSDQIYULU-INIZCTEOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001040797926 669873111 /nfs/dbraw/zinc/87/31/11/669873111.db2.gz NBVSOPSDQIYULU-MRXNPFEDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040797934 673260183 /nfs/dbraw/zinc/26/01/83/673260183.db2.gz NGAWSRUDQXOLCS-HNNXBMFYSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040797936 673260102 /nfs/dbraw/zinc/26/01/02/673260102.db2.gz NGAWSRUDQXOLCS-OAHLLOKOSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001040798334 673260073 /nfs/dbraw/zinc/26/00/73/673260073.db2.gz QUUNTIWEDRIZTM-AWEZNQCLSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001040798335 673260288 /nfs/dbraw/zinc/26/02/88/673260288.db2.gz QUUNTIWEDRIZTM-CQSZACIVSA-N 1 0 326.397 -1.717 20 0 EAADRO CCn1cc(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001040798337 669873142 /nfs/dbraw/zinc/87/31/42/669873142.db2.gz QXMDGKWVEBQVHK-HNNXBMFYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1cc(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001040798338 669873171 /nfs/dbraw/zinc/87/31/71/669873171.db2.gz QXMDGKWVEBQVHK-OAHLLOKOSA-N 1 0 338.412 -1.057 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001040798677 673260217 /nfs/dbraw/zinc/26/02/17/673260217.db2.gz UOOVHQLFUYQBBS-AWEZNQCLSA-N 1 0 347.437 -1.938 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001040798679 673260196 /nfs/dbraw/zinc/26/01/96/673260196.db2.gz UOOVHQLFUYQBBS-CQSZACIVSA-N 1 0 347.437 -1.938 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001040798729 673260275 /nfs/dbraw/zinc/26/02/75/673260275.db2.gz VMPFHHIAIYPOBS-INIZCTEOSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001040798733 673260170 /nfs/dbraw/zinc/26/01/70/673260170.db2.gz VMPFHHIAIYPOBS-MRXNPFEDSA-N 1 0 337.424 -1.006 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001040798845 669873609 /nfs/dbraw/zinc/87/36/09/669873609.db2.gz VZWWIOFQLDTQFT-HNNXBMFYSA-N 1 0 338.412 -1.313 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001040798852 669873435 /nfs/dbraw/zinc/87/34/35/669873435.db2.gz VZWWIOFQLDTQFT-OAHLLOKOSA-N 1 0 338.412 -1.313 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040799093 673260250 /nfs/dbraw/zinc/26/02/50/673260250.db2.gz WWCVVFTYUDUQSM-HZMBPMFUSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001040799097 673260299 /nfs/dbraw/zinc/26/02/99/673260299.db2.gz WWCVVFTYUDUQSM-IINYFYTJSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001040799099 673260291 /nfs/dbraw/zinc/26/02/91/673260291.db2.gz WWCVVFTYUDUQSM-QMTHXVAHSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001040799101 673260294 /nfs/dbraw/zinc/26/02/94/673260294.db2.gz WWCVVFTYUDUQSM-YGRLFVJLSA-N 1 0 327.385 -2.301 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799150 669873455 /nfs/dbraw/zinc/87/34/55/669873455.db2.gz XDWOSBSDMZDCML-DOMZBBRYSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799153 669873449 /nfs/dbraw/zinc/87/34/49/669873449.db2.gz XDWOSBSDMZDCML-IUODEOHRSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799159 669873502 /nfs/dbraw/zinc/87/35/02/669873502.db2.gz XDWOSBSDMZDCML-SWLSCSKDSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799163 669873537 /nfs/dbraw/zinc/87/35/37/669873537.db2.gz XDWOSBSDMZDCML-WFASDCNBSA-N 1 0 331.413 -1.321 20 0 EAADRO C[C@H](CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)NC(N)=O ZINC001040799169 669873426 /nfs/dbraw/zinc/87/34/26/669873426.db2.gz XEUZZYHLKXMOLA-ABAIWWIYSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)NC(N)=O ZINC001040799176 669873461 /nfs/dbraw/zinc/87/34/61/669873461.db2.gz XEUZZYHLKXMOLA-IAQYHMDHSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)NC(N)=O ZINC001040799182 669873602 /nfs/dbraw/zinc/87/36/02/669873602.db2.gz XEUZZYHLKXMOLA-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)NC(N)=O ZINC001040799196 669873441 /nfs/dbraw/zinc/87/34/41/669873441.db2.gz XEUZZYHLKXMOLA-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001040799284 673260263 /nfs/dbraw/zinc/26/02/63/673260263.db2.gz XOFFRFHMACYSNY-CYBMUJFWSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001040799287 673260139 /nfs/dbraw/zinc/26/01/39/673260139.db2.gz XOFFRFHMACYSNY-ZDUSSCGKSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040799288 673260120 /nfs/dbraw/zinc/26/01/20/673260120.db2.gz XPANNRMCZUNQKV-NHYWBVRUSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001040799290 673260286 /nfs/dbraw/zinc/26/02/86/673260286.db2.gz XPANNRMCZUNQKV-XHDPSFHLSA-N 1 0 326.397 -1.704 20 0 EAADRO Cc1nonc1CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799331 669873434 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ZINC001040799472 669873464 /nfs/dbraw/zinc/87/34/64/669873464.db2.gz ZLTAFWXCRVUFLB-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)CN3CCNC(=O)C3)C2)CC1 ZINC001040799484 673260242 /nfs/dbraw/zinc/26/02/42/673260242.db2.gz BEJJBJZCWQQJIF-UHFFFAOYSA-N 1 0 337.424 -1.782 20 0 EAADRO Cn1cncc1CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799534 673260042 /nfs/dbraw/zinc/26/00/42/673260042.db2.gz ZZIQLDZBSIYUAA-INIZCTEOSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cncc1CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799535 673260313 /nfs/dbraw/zinc/26/03/13/673260313.db2.gz ZZIQLDZBSIYUAA-MRXNPFEDSA-N 1 0 337.424 -1.006 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800277 673260150 /nfs/dbraw/zinc/26/01/50/673260150.db2.gz FBXNGNPYMNAXHB-BBRMVZONSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800278 673260166 /nfs/dbraw/zinc/26/01/66/673260166.db2.gz FBXNGNPYMNAXHB-CJNGLKHVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800279 673260223 /nfs/dbraw/zinc/26/02/23/673260223.db2.gz FBXNGNPYMNAXHB-CZUORRHYSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800280 669873617 /nfs/dbraw/zinc/87/36/17/669873617.db2.gz FBXNGNPYMNAXHB-XJKSGUPXSA-N 1 0 342.440 -1.068 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC3(C2)CC[NH+](CC(N)=O)CC3)c1=O ZINC001040800343 673260084 /nfs/dbraw/zinc/26/00/84/673260084.db2.gz IUIQYUNQSBAFNS-UHFFFAOYSA-N 1 0 349.391 -1.101 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001040800448 673260254 /nfs/dbraw/zinc/26/02/54/673260254.db2.gz GDXHRECAYGWGHZ-DMEJVMROSA-N 1 0 325.409 -1.090 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001040800451 673260189 /nfs/dbraw/zinc/26/01/89/673260189.db2.gz GDXHRECAYGWGHZ-TWJWRFFLSA-N 1 0 325.409 -1.090 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001040800574 673260502 /nfs/dbraw/zinc/26/05/02/673260502.db2.gz HOPLKOZKEZXDCN-HNNXBMFYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001040800576 673260511 /nfs/dbraw/zinc/26/05/11/673260511.db2.gz HOPLKOZKEZXDCN-OAHLLOKOSA-N 1 0 337.380 -1.173 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800655 673260648 /nfs/dbraw/zinc/26/06/48/673260648.db2.gz HXMQUPAZQNMHRE-HNNXBMFYSA-N 1 0 328.413 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800656 673260590 /nfs/dbraw/zinc/26/05/90/673260590.db2.gz HXMQUPAZQNMHRE-OAHLLOKOSA-N 1 0 328.413 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001040800778 673260685 /nfs/dbraw/zinc/26/06/85/673260685.db2.gz JYMYKCKIXSVBCU-ABAIWWIYSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001040800779 673260661 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EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801027 669874882 /nfs/dbraw/zinc/87/48/82/669874882.db2.gz MSDXJVHAGTXJJZ-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801028 669874794 /nfs/dbraw/zinc/87/47/94/669874794.db2.gz MSDXJVHAGTXJJZ-MLGOLLRUSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801029 669874756 /nfs/dbraw/zinc/87/47/56/669874756.db2.gz MSDXJVHAGTXJJZ-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801215 673260448 /nfs/dbraw/zinc/26/04/48/673260448.db2.gz NVPQJDXTZUPVBG-AWEZNQCLSA-N 1 0 349.453 -1.548 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801216 673260583 /nfs/dbraw/zinc/26/05/83/673260583.db2.gz NVPQJDXTZUPVBG-CQSZACIVSA-N 1 0 349.453 -1.548 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001040801295 669875055 /nfs/dbraw/zinc/87/50/55/669875055.db2.gz PFYCQQOFGJJWOG-CYBMUJFWSA-N 1 0 325.373 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001040801297 669875285 /nfs/dbraw/zinc/87/52/85/669875285.db2.gz PFYCQQOFGJJWOG-ZDUSSCGKSA-N 1 0 325.373 -2.145 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801399 673260622 /nfs/dbraw/zinc/26/06/22/673260622.db2.gz QDDHAUKZTJHFDZ-AWEZNQCLSA-N 1 0 329.401 -2.053 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801400 673260682 /nfs/dbraw/zinc/26/06/82/673260682.db2.gz QDDHAUKZTJHFDZ-CQSZACIVSA-N 1 0 329.401 -2.053 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001040801419 673260566 /nfs/dbraw/zinc/26/05/66/673260566.db2.gz QYUVEPKJJKLRDA-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001040801420 673260644 /nfs/dbraw/zinc/26/06/44/673260644.db2.gz QYUVEPKJJKLRDA-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001040801421 673260506 /nfs/dbraw/zinc/26/05/06/673260506.db2.gz QYUVEPKJJKLRDA-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001040801422 673260665 /nfs/dbraw/zinc/26/06/65/673260665.db2.gz QYUVEPKJJKLRDA-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)NC1=O ZINC001040801451 673260613 /nfs/dbraw/zinc/26/06/13/673260613.db2.gz RJFPTQWPPKNVKF-ABAIWWIYSA-N 1 0 341.412 -1.959 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)NC1=O ZINC001040801452 673260667 /nfs/dbraw/zinc/26/06/67/673260667.db2.gz RJFPTQWPPKNVKF-IAQYHMDHSA-N 1 0 341.412 -1.959 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)NC1=O ZINC001040801453 673260549 /nfs/dbraw/zinc/26/05/49/673260549.db2.gz RJFPTQWPPKNVKF-NHYWBVRUSA-N 1 0 341.412 -1.959 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)NC1=O ZINC001040801454 673260562 /nfs/dbraw/zinc/26/05/62/673260562.db2.gz RJFPTQWPPKNVKF-XHDPSFHLSA-N 1 0 341.412 -1.959 20 0 EAADRO Cn1c(C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)c[nH]c1=O ZINC001040801555 673260636 /nfs/dbraw/zinc/26/06/36/673260636.db2.gz RKXOUCCIYVVRIU-HNNXBMFYSA-N 1 0 339.396 -1.229 20 0 EAADRO Cn1c(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)c[nH]c1=O ZINC001040801556 673260598 /nfs/dbraw/zinc/26/05/98/673260598.db2.gz RKXOUCCIYVVRIU-OAHLLOKOSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801629 673260458 /nfs/dbraw/zinc/26/04/58/673260458.db2.gz SLBVAXDLUNAXBE-ABAIWWIYSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801630 673260453 /nfs/dbraw/zinc/26/04/53/673260453.db2.gz SLBVAXDLUNAXBE-IAQYHMDHSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801632 673260463 /nfs/dbraw/zinc/26/04/63/673260463.db2.gz SLBVAXDLUNAXBE-NHYWBVRUSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801633 673260574 /nfs/dbraw/zinc/26/05/74/673260574.db2.gz SLBVAXDLUNAXBE-XHDPSFHLSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801790 673260491 /nfs/dbraw/zinc/26/04/91/673260491.db2.gz VBBDXZNWPZTTEV-DUVNUKRYSA-N 1 0 343.424 -1.178 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801792 673260539 /nfs/dbraw/zinc/26/05/39/673260539.db2.gz VBBDXZNWPZTTEV-NOLJZWGESA-N 1 0 343.424 -1.178 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)CC1=O ZINC001040801798 673260657 /nfs/dbraw/zinc/26/06/57/673260657.db2.gz VFPLHQQYAXTWDB-BLLLJJGKSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)CC1=O ZINC001040801799 673260618 /nfs/dbraw/zinc/26/06/18/673260618.db2.gz VFPLHQQYAXTWDB-LRDDRELGSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)CC1=O ZINC001040801800 673260687 /nfs/dbraw/zinc/26/06/87/673260687.db2.gz VFPLHQQYAXTWDB-MLGOLLRUSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)CC1=O ZINC001040801802 673260571 /nfs/dbraw/zinc/26/05/71/673260571.db2.gz VFPLHQQYAXTWDB-WBMJQRKESA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001040801831 673260535 /nfs/dbraw/zinc/26/05/35/673260535.db2.gz VQZLYKLTQJXFBR-BLLLJJGKSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001040801832 669904539 /nfs/dbraw/zinc/90/45/39/669904539.db2.gz VQZLYKLTQJXFBR-LRDDRELGSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001040801834 669905337 /nfs/dbraw/zinc/90/53/37/669905337.db2.gz VQZLYKLTQJXFBR-MLGOLLRUSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001040801837 669906179 /nfs/dbraw/zinc/90/61/79/669906179.db2.gz VQZLYKLTQJXFBR-WBMJQRKESA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCCC(N)=O)C1 ZINC001040801880 669907886 /nfs/dbraw/zinc/90/78/86/669907886.db2.gz WEKVWVCHJUNHPG-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCCC(N)=O)C1 ZINC001040801881 669907957 /nfs/dbraw/zinc/90/79/57/669907957.db2.gz WEKVWVCHJUNHPG-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001040801965 673260558 /nfs/dbraw/zinc/26/05/58/673260558.db2.gz WVSBOSYFBYHQGO-CVEARBPZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001040801966 673260440 /nfs/dbraw/zinc/26/04/40/673260440.db2.gz WVSBOSYFBYHQGO-HOTGVXAUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001040801967 673260691 /nfs/dbraw/zinc/26/06/91/673260691.db2.gz WVSBOSYFBYHQGO-HZPDHXFCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001040801968 673260541 /nfs/dbraw/zinc/26/05/41/673260541.db2.gz WVSBOSYFBYHQGO-JKSUJKDBSA-N 1 0 340.424 -1.456 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801985 673260554 /nfs/dbraw/zinc/26/05/54/673260554.db2.gz XDKCWDPQDIRGOX-BLLLJJGKSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801986 673260532 /nfs/dbraw/zinc/26/05/32/673260532.db2.gz XDKCWDPQDIRGOX-LRDDRELGSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801987 673260594 /nfs/dbraw/zinc/26/05/94/673260594.db2.gz XDKCWDPQDIRGOX-MLGOLLRUSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801988 673260495 /nfs/dbraw/zinc/26/04/95/673260495.db2.gz XDKCWDPQDIRGOX-WBMJQRKESA-N 1 0 340.424 -1.362 20 0 EAADRO C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040802155 673260586 /nfs/dbraw/zinc/26/05/86/673260586.db2.gz YTPLGQNUBCDCTH-BXUZGUMPSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040802157 673260546 /nfs/dbraw/zinc/26/05/46/673260546.db2.gz YTPLGQNUBCDCTH-FZMZJTMJSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040802158 673260694 /nfs/dbraw/zinc/26/06/94/673260694.db2.gz YTPLGQNUBCDCTH-RISCZKNCSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001040802159 673260501 /nfs/dbraw/zinc/26/05/01/673260501.db2.gz YTPLGQNUBCDCTH-SMDDNHRTSA-N 1 0 349.453 -1.549 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001040802161 673260633 /nfs/dbraw/zinc/26/06/33/673260633.db2.gz YUBZIVALXLXEJE-AWEZNQCLSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCNC(N)=O)C1 ZINC001040802162 673260628 /nfs/dbraw/zinc/26/06/28/673260628.db2.gz YUBZIVALXLXEJE-CQSZACIVSA-N 1 0 329.401 -1.924 20 0 EAADRO Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001040810251 673261313 /nfs/dbraw/zinc/26/13/13/673261313.db2.gz PSHQATOYJHWMQA-HNNXBMFYSA-N 1 0 339.396 -1.229 20 0 EAADRO Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001040810253 673261538 /nfs/dbraw/zinc/26/15/38/673261538.db2.gz PSHQATOYJHWMQA-OAHLLOKOSA-N 1 0 339.396 -1.229 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001040825491 673261683 /nfs/dbraw/zinc/26/16/83/673261683.db2.gz AYTUMXBMUUUFDF-NEPJUHHUSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001040825492 673261864 /nfs/dbraw/zinc/26/18/64/673261864.db2.gz AYTUMXBMUUUFDF-NWDGAFQWSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001040825494 673261875 /nfs/dbraw/zinc/26/18/75/673261875.db2.gz AYTUMXBMUUUFDF-RYUDHWBXSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001040825495 673261916 /nfs/dbraw/zinc/26/19/16/673261916.db2.gz AYTUMXBMUUUFDF-VXGBXAGGSA-N 1 0 335.408 -1.129 20 0 EAADRO NC(=O)C(=O)N1CCC2(C1)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001040828157 673261947 /nfs/dbraw/zinc/26/19/47/673261947.db2.gz GTMQRYJKGQWAFE-UHFFFAOYSA-N 1 0 338.408 -1.355 20 0 EAADRO NC(=O)C(=O)N1CCC2(C1)CC[NH+](CCN1C(=O)CCC1=O)CC2 ZINC001040829201 673261957 /nfs/dbraw/zinc/26/19/57/673261957.db2.gz YLDOCBBDCXJUMY-UHFFFAOYSA-N 1 0 336.392 -1.065 20 0 EAADRO NC(=O)C(=O)N1CCC2(C1)CC[NH+](CCN1C(=O)CNC1=O)CC2 ZINC001040829383 669942566 /nfs/dbraw/zinc/94/25/66/669942566.db2.gz BYCJELSXCQXAIX-UHFFFAOYSA-N 1 0 337.380 -1.662 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001040834467 673262534 /nfs/dbraw/zinc/26/25/34/673262534.db2.gz YZCXNXXDIPDPLH-HOTGVXAUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001040834469 673262422 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EAADRO COC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040844397 673264164 /nfs/dbraw/zinc/26/41/64/673264164.db2.gz UJYQCJBREDHGMK-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO COC[C@@H](OC)C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040844399 673264126 /nfs/dbraw/zinc/26/41/26/673264126.db2.gz UJYQCJBREDHGMK-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO COC[C@H](OC)C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040844402 673264002 /nfs/dbraw/zinc/26/40/02/673264002.db2.gz UJYQCJBREDHGMK-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001040846486 673264696 /nfs/dbraw/zinc/26/46/96/673264696.db2.gz CDDTYMVGWJNPFC-NWDGAFQWSA-N 1 0 338.408 -1.181 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC001040868732 673265177 /nfs/dbraw/zinc/26/51/77/673265177.db2.gz XPBXEUKDAFITTC-JTQLQIEISA-N 1 0 337.380 -1.616 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)[NH+](CC)CC ZINC001040871722 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673266425 /nfs/dbraw/zinc/26/64/25/673266425.db2.gz IAVGEVOIFUKWRM-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040901402 673266373 /nfs/dbraw/zinc/26/63/73/673266373.db2.gz IIOWXNXVJYRRTN-AWEZNQCLSA-N 1 0 329.401 -1.924 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 ZINC001040901403 673266215 /nfs/dbraw/zinc/26/62/15/673266215.db2.gz IIOWXNXVJYRRTN-CQSZACIVSA-N 1 0 329.401 -1.924 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040901596 673266367 /nfs/dbraw/zinc/26/63/67/673266367.db2.gz KLCSGWFAXQCEMJ-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001040901598 673266350 /nfs/dbraw/zinc/26/63/50/673266350.db2.gz KLCSGWFAXQCEMJ-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1 ZINC001040901654 673266234 /nfs/dbraw/zinc/26/62/34/673266234.db2.gz LECBYLOMQZPDSN-HNNXBMFYSA-N 1 0 328.413 -1.456 20 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ZINC001040927291 673269976 /nfs/dbraw/zinc/26/99/76/673269976.db2.gz QDZNUYJUQGVIGP-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001040927293 673269920 /nfs/dbraw/zinc/26/99/20/673269920.db2.gz QDZNUYJUQGVIGP-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001040927294 673270042 /nfs/dbraw/zinc/27/00/42/673270042.db2.gz QDZNUYJUQGVIGP-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001040927295 673269891 /nfs/dbraw/zinc/26/98/91/673269891.db2.gz QDZNUYJUQGVIGP-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@H+](CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1)CC(C)(C)C ZINC001040927510 673269780 /nfs/dbraw/zinc/26/97/80/673269780.db2.gz SIJUULYWCPJGDB-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO C[N@H+](CC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1)CC(C)(C)C ZINC001040927511 673270032 /nfs/dbraw/zinc/27/00/32/673270032.db2.gz SIJUULYWCPJGDB-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001040927904 673270345 /nfs/dbraw/zinc/27/03/45/673270345.db2.gz ZTIYWQRVOPWBCT-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001040927905 673270365 /nfs/dbraw/zinc/27/03/65/673270365.db2.gz ZTIYWQRVOPWBCT-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001040929766 673271444 /nfs/dbraw/zinc/27/14/44/673271444.db2.gz AESVUUWCEXMGFQ-UHFFFAOYSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)CN3C(=O)CCC3=O)C2)CC1 ZINC001040929796 673271462 /nfs/dbraw/zinc/27/14/62/673271462.db2.gz CPDJAHATFKUMBJ-UHFFFAOYSA-N 1 0 336.392 -1.065 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)c3nccnc3C(N)=O)C2)CC1 ZINC001040930098 673271430 /nfs/dbraw/zinc/27/14/30/673271430.db2.gz KHQIMQGWHPAMOH-UHFFFAOYSA-N 1 0 346.391 -1.011 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040933285 673272242 /nfs/dbraw/zinc/27/22/42/673272242.db2.gz GPRSUXKRXYKZFO-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040933286 673272140 /nfs/dbraw/zinc/27/21/40/673272140.db2.gz GPRSUXKRXYKZFO-WQGACYEGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040933478 673272146 /nfs/dbraw/zinc/27/21/46/673272146.db2.gz JFCSIUFWLUABQE-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040933479 673272156 /nfs/dbraw/zinc/27/21/56/673272156.db2.gz JFCSIUFWLUABQE-WQGACYEGSA-N 1 0 340.424 -1.471 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040934120 673272423 /nfs/dbraw/zinc/27/24/23/673272423.db2.gz VXXHLYKDYGZQOV-BFQNTYOBSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040934123 673272429 /nfs/dbraw/zinc/27/24/29/673272429.db2.gz VXXHLYKDYGZQOV-WQGACYEGSA-N 1 0 338.408 -1.717 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040934176 673272496 /nfs/dbraw/zinc/27/24/96/673272496.db2.gz OAYAVTWZFKEHRB-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040934180 673272709 /nfs/dbraw/zinc/27/27/09/673272709.db2.gz OAYAVTWZFKEHRB-WQGACYEGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040934229 673272606 /nfs/dbraw/zinc/27/26/06/673272606.db2.gz XJQGQRSOFBLGIX-BFQNTYOBSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040934231 673272568 /nfs/dbraw/zinc/27/25/68/673272568.db2.gz XJQGQRSOFBLGIX-WQGACYEGSA-N 1 0 340.424 -1.472 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040934339 673272617 /nfs/dbraw/zinc/27/26/17/673272617.db2.gz YOJSFBMBNQKKGS-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040934341 673272419 /nfs/dbraw/zinc/27/24/19/673272419.db2.gz YOJSFBMBNQKKGS-WQGACYEGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040935044 673272683 /nfs/dbraw/zinc/27/26/83/673272683.db2.gz YBBVKEJVUWCTEU-JRPNMDOOSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001040935045 673272442 /nfs/dbraw/zinc/27/24/42/673272442.db2.gz YBBVKEJVUWCTEU-ZETOZRRWSA-N 1 0 326.397 -1.861 20 0 EAADRO Cn1cc(C(=O)N2CCC3(C2)CC[NH+](CC(N)=O)CC3)c(=O)[nH]c1=O ZINC001040935481 673273056 /nfs/dbraw/zinc/27/30/56/673273056.db2.gz AHWPLARPVDHBIM-UHFFFAOYSA-N 1 0 349.391 -1.101 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001040935626 669245784 /nfs/dbraw/zinc/24/57/84/669245784.db2.gz HKRGQWYMBFCBJH-PGUXBMHVSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001040935629 669245894 /nfs/dbraw/zinc/24/58/94/669245894.db2.gz HKRGQWYMBFCBJH-ZIBATOQPSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040936506 673273064 /nfs/dbraw/zinc/27/30/64/673273064.db2.gz PTDCVICQLYFJDV-BFQNTYOBSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040936507 673272813 /nfs/dbraw/zinc/27/28/13/673272813.db2.gz PTDCVICQLYFJDV-MKBNYLNASA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040936508 673273102 /nfs/dbraw/zinc/27/31/02/673273102.db2.gz PTDCVICQLYFJDV-MQIPJXDCSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001040936509 673272864 /nfs/dbraw/zinc/27/28/64/673272864.db2.gz PTDCVICQLYFJDV-WQGACYEGSA-N 1 0 340.424 -1.315 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001040941807 673273730 /nfs/dbraw/zinc/27/37/30/673273730.db2.gz PWSMEKOXQOTYRF-LLVKDONJSA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001040941809 669318793 /nfs/dbraw/zinc/31/87/93/669318793.db2.gz PWSMEKOXQOTYRF-NSHDSACASA-N 1 0 344.437 -1.522 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040941858 673273635 /nfs/dbraw/zinc/27/36/35/673273635.db2.gz QLMYNGBTRMYUTQ-GFCCVEGCSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040941862 673273642 /nfs/dbraw/zinc/27/36/42/673273642.db2.gz QLMYNGBTRMYUTQ-LBPRGKRZSA-N 1 0 331.438 -1.015 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001040943527 673274086 /nfs/dbraw/zinc/27/40/86/673274086.db2.gz CDTHBHSXRBGHIQ-GMTAPVOTSA-N 1 0 332.368 -1.721 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001040943529 673273976 /nfs/dbraw/zinc/27/39/76/673273976.db2.gz CDTHBHSXRBGHIQ-OUAUKWLOSA-N 1 0 332.368 -1.721 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040945255 673274122 /nfs/dbraw/zinc/27/41/22/673274122.db2.gz RVKQTVXUZGJHIK-GMTAPVOTSA-N 1 0 346.395 -1.482 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001040945261 673274028 /nfs/dbraw/zinc/27/40/28/673274028.db2.gz RVKQTVXUZGJHIK-OUAUKWLOSA-N 1 0 346.395 -1.482 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001040945749 673274163 /nfs/dbraw/zinc/27/41/63/673274163.db2.gz VXWUHFHCMBHVTN-GMTAPVOTSA-N 1 0 332.368 -1.721 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001040945751 673274060 /nfs/dbraw/zinc/27/40/60/673274060.db2.gz VXWUHFHCMBHVTN-OUAUKWLOSA-N 1 0 332.368 -1.721 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC3(C2)CC[NH+](CCO)CC3)nn1 ZINC001040947986 673274813 /nfs/dbraw/zinc/27/48/13/673274813.db2.gz LSWOGPAABVGJCP-UHFFFAOYSA-N 1 0 336.396 -1.316 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC3(C2)CC[NH+](CC(N)=O)CC3)nn1 ZINC001040948638 673274765 /nfs/dbraw/zinc/27/47/65/673274765.db2.gz VTKQBRBMJNBEPD-UHFFFAOYSA-N 1 0 349.395 -1.823 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001040948777 673275441 /nfs/dbraw/zinc/27/54/41/673275441.db2.gz NXEYJKBTPLOGMG-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001040948778 673275075 /nfs/dbraw/zinc/27/50/75/673275075.db2.gz NXEYJKBTPLOGMG-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)CC1 ZINC001040959771 673276421 /nfs/dbraw/zinc/27/64/21/673276421.db2.gz LOPUMXLXRSFSRJ-LLVKDONJSA-N 1 0 336.392 -1.161 20 0 EAADRO NC(=O)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)CC1 ZINC001040959773 673276454 /nfs/dbraw/zinc/27/64/54/673276454.db2.gz LOPUMXLXRSFSRJ-NSHDSACASA-N 1 0 336.392 -1.161 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040961478 673277118 /nfs/dbraw/zinc/27/71/18/673277118.db2.gz DFIBSAJJHCJMOC-DOMZBBRYSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040961480 673276996 /nfs/dbraw/zinc/27/69/96/673276996.db2.gz DFIBSAJJHCJMOC-IUODEOHRSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040961482 673277150 /nfs/dbraw/zinc/27/71/50/673277150.db2.gz DFIBSAJJHCJMOC-SWLSCSKDSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040961483 673277188 /nfs/dbraw/zinc/27/71/88/673277188.db2.gz DFIBSAJJHCJMOC-WFASDCNBSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3cncn3)C2)C1 ZINC001040961989 673277160 /nfs/dbraw/zinc/27/71/60/673277160.db2.gz HMMOQIOVMXVQGN-DOMZBBRYSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3cncn3)C2)C1 ZINC001040961991 673277129 /nfs/dbraw/zinc/27/71/29/673277129.db2.gz HMMOQIOVMXVQGN-IUODEOHRSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3cncn3)C2)C1 ZINC001040961992 673277391 /nfs/dbraw/zinc/27/73/91/673277391.db2.gz HMMOQIOVMXVQGN-SWLSCSKDSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3cncn3)C2)C1 ZINC001040961994 673277567 /nfs/dbraw/zinc/27/75/67/673277567.db2.gz HMMOQIOVMXVQGN-WFASDCNBSA-N 1 0 336.396 -1.691 20 0 EAADRO O=C(Cn1cncn1)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040962432 673277692 /nfs/dbraw/zinc/27/76/92/673277692.db2.gz KRETYWBLBYJUMX-HNNXBMFYSA-N 1 0 336.396 -1.547 20 0 EAADRO O=C(Cn1cncn1)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040962434 673277903 /nfs/dbraw/zinc/27/79/03/673277903.db2.gz KRETYWBLBYJUMX-OAHLLOKOSA-N 1 0 336.396 -1.547 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040962679 673277831 /nfs/dbraw/zinc/27/78/31/673277831.db2.gz NYUWVJUMCBTYJA-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040962680 669408147 /nfs/dbraw/zinc/40/81/47/669408147.db2.gz NYUWVJUMCBTYJA-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(Cn1cncn1)NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040962762 673277800 /nfs/dbraw/zinc/27/78/00/673277800.db2.gz OQGIPXKZMYJLBB-INIZCTEOSA-N 1 0 348.407 -1.547 20 0 EAADRO O=C(Cn1cncn1)NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040962763 673277769 /nfs/dbraw/zinc/27/77/69/673277769.db2.gz OQGIPXKZMYJLBB-MRXNPFEDSA-N 1 0 348.407 -1.547 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040962994 673278113 /nfs/dbraw/zinc/27/81/13/673278113.db2.gz QKDIYRVJZPREAJ-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040962995 673278272 /nfs/dbraw/zinc/27/82/72/673278272.db2.gz QKDIYRVJZPREAJ-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040963046 673278214 /nfs/dbraw/zinc/27/82/14/673278214.db2.gz RLBKLXLELZGABR-HNNXBMFYSA-N 1 0 338.412 -1.302 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040963047 673278143 /nfs/dbraw/zinc/27/81/43/673278143.db2.gz RLBKLXLELZGABR-OAHLLOKOSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040963048 669409603 /nfs/dbraw/zinc/40/96/03/669409603.db2.gz RROHGTJQJGHAEP-DOMZBBRYSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040963050 669409955 /nfs/dbraw/zinc/40/99/55/669409955.db2.gz RROHGTJQJGHAEP-IUODEOHRSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040963051 669410006 /nfs/dbraw/zinc/41/00/06/669410006.db2.gz RROHGTJQJGHAEP-SWLSCSKDSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1)[NH+](C)C ZINC001040963053 669410242 /nfs/dbraw/zinc/41/02/42/669410242.db2.gz RROHGTJQJGHAEP-WFASDCNBSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040963211 673278561 /nfs/dbraw/zinc/27/85/61/673278561.db2.gz USGPNPFBIOWTJJ-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040963213 673278511 /nfs/dbraw/zinc/27/85/11/673278511.db2.gz USGPNPFBIOWTJJ-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040963783 673278910 /nfs/dbraw/zinc/27/89/10/673278910.db2.gz ZKLBPLNQKWEONQ-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001040963784 673278725 /nfs/dbraw/zinc/27/87/25/673278725.db2.gz ZKLBPLNQKWEONQ-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040966671 673280311 /nfs/dbraw/zinc/28/03/11/673280311.db2.gz DMDRPPRLYZTHBE-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040966672 673280450 /nfs/dbraw/zinc/28/04/50/673280450.db2.gz DMDRPPRLYZTHBE-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040967417 673280779 /nfs/dbraw/zinc/28/07/79/673280779.db2.gz GKBDPEZQOIXBLP-INIZCTEOSA-N 1 0 348.407 -1.477 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040967419 673280641 /nfs/dbraw/zinc/28/06/41/673280641.db2.gz GKBDPEZQOIXBLP-MRXNPFEDSA-N 1 0 348.407 -1.477 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040967619 673280759 /nfs/dbraw/zinc/28/07/59/673280759.db2.gz HEHZHDQMXHVIIW-ABAIWWIYSA-N 1 0 336.396 -1.479 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040967620 673280951 /nfs/dbraw/zinc/28/09/51/673280951.db2.gz HEHZHDQMXHVIIW-IAQYHMDHSA-N 1 0 336.396 -1.479 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040967622 673280694 /nfs/dbraw/zinc/28/06/94/673280694.db2.gz HEHZHDQMXHVIIW-NHYWBVRUSA-N 1 0 336.396 -1.479 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040967624 673280663 /nfs/dbraw/zinc/28/06/63/673280663.db2.gz HEHZHDQMXHVIIW-XHDPSFHLSA-N 1 0 336.396 -1.479 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040969301 673282142 /nfs/dbraw/zinc/28/21/42/673282142.db2.gz VWCNIUBSYCMFAT-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040969302 673282173 /nfs/dbraw/zinc/28/21/73/673282173.db2.gz VWCNIUBSYCMFAT-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040969470 673282304 /nfs/dbraw/zinc/28/23/04/673282304.db2.gz YMDHAOASNABWTE-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040969471 673282718 /nfs/dbraw/zinc/28/27/18/673282718.db2.gz YMDHAOASNABWTE-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1)[NH+](C)C ZINC001040969476 673282655 /nfs/dbraw/zinc/28/26/55/673282655.db2.gz YNAPNAFDZAKIFV-ABAIWWIYSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1)[NH+](C)C ZINC001040969477 673282577 /nfs/dbraw/zinc/28/25/77/673282577.db2.gz YNAPNAFDZAKIFV-IAQYHMDHSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1)[NH+](C)C ZINC001040969478 673282629 /nfs/dbraw/zinc/28/26/29/673282629.db2.gz YNAPNAFDZAKIFV-NHYWBVRUSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1)[NH+](C)C ZINC001040969479 673282761 /nfs/dbraw/zinc/28/27/61/673282761.db2.gz YNAPNAFDZAKIFV-XHDPSFHLSA-N 1 0 338.412 -1.233 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040969512 673282671 /nfs/dbraw/zinc/28/26/71/673282671.db2.gz ZGPJBGONVFREDV-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040969514 673282754 /nfs/dbraw/zinc/28/27/54/673282754.db2.gz ZGPJBGONVFREDV-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040971337 673283305 /nfs/dbraw/zinc/28/33/05/673283305.db2.gz KCSUWWCHHIQYQC-HNNXBMFYSA-N 1 0 336.396 -1.477 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040971338 673283326 /nfs/dbraw/zinc/28/33/26/673283326.db2.gz KCSUWWCHHIQYQC-OAHLLOKOSA-N 1 0 336.396 -1.477 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001040972871 673283667 /nfs/dbraw/zinc/28/36/67/673283667.db2.gz TXGXFLDOSYGETB-ABAIWWIYSA-N 1 0 336.396 -1.622 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001040972875 673283599 /nfs/dbraw/zinc/28/35/99/673283599.db2.gz TXGXFLDOSYGETB-IAQYHMDHSA-N 1 0 336.396 -1.622 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001040972877 673283656 /nfs/dbraw/zinc/28/36/56/673283656.db2.gz TXGXFLDOSYGETB-NHYWBVRUSA-N 1 0 336.396 -1.622 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001040972880 673283732 /nfs/dbraw/zinc/28/37/32/673283732.db2.gz TXGXFLDOSYGETB-XHDPSFHLSA-N 1 0 336.396 -1.622 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040973542 673284019 /nfs/dbraw/zinc/28/40/19/673284019.db2.gz XMWSVKVAYPBJHZ-HNNXBMFYSA-N 1 0 338.412 -1.233 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001040973543 673284126 /nfs/dbraw/zinc/28/41/26/673284126.db2.gz XMWSVKVAYPBJHZ-OAHLLOKOSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040995746 673285492 /nfs/dbraw/zinc/28/54/92/673285492.db2.gz AQNYOMSMRGRNSL-BBRMVZONSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040995748 673285431 /nfs/dbraw/zinc/28/54/31/673285431.db2.gz AQNYOMSMRGRNSL-CJNGLKHVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040995750 673285437 /nfs/dbraw/zinc/28/54/37/673285437.db2.gz AQNYOMSMRGRNSL-CZUORRHYSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040995751 673285430 /nfs/dbraw/zinc/28/54/30/673285430.db2.gz AQNYOMSMRGRNSL-XJKSGUPXSA-N 1 0 342.440 -1.068 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001041035418 673289946 /nfs/dbraw/zinc/28/99/46/673289946.db2.gz JEIADUBOOHZWOJ-BLLLJJGKSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001041035419 673289731 /nfs/dbraw/zinc/28/97/31/673289731.db2.gz JEIADUBOOHZWOJ-LRDDRELGSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001041035420 673289789 /nfs/dbraw/zinc/28/97/89/673289789.db2.gz JEIADUBOOHZWOJ-MLGOLLRUSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001041035421 673289804 /nfs/dbraw/zinc/28/98/04/673289804.db2.gz JEIADUBOOHZWOJ-WBMJQRKESA-N 1 0 335.408 -1.017 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001041048658 673291715 /nfs/dbraw/zinc/29/17/15/673291715.db2.gz AABCLRBTTXDXNV-GMTAPVOTSA-N 1 0 346.395 -1.624 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001041048659 673291828 /nfs/dbraw/zinc/29/18/28/673291828.db2.gz AABCLRBTTXDXNV-HBNTYKKESA-N 1 0 346.395 -1.624 20 0 EAADRO COC(=O)c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001041048693 673291900 /nfs/dbraw/zinc/29/19/00/673291900.db2.gz BPMSEXRBUHPQRH-IJLUTSLNSA-N 1 0 349.391 -1.119 20 0 EAADRO COC(=O)c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001041048694 673291927 /nfs/dbraw/zinc/29/19/27/673291927.db2.gz BPMSEXRBUHPQRH-QJPTWQEYSA-N 1 0 349.391 -1.119 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@H]2O)C1 ZINC001041048768 673291746 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C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1)N1C(=O)CCC1=O ZINC001041338410 673317506 /nfs/dbraw/zinc/31/75/06/673317506.db2.gz GWPYUODRSUTPQN-MEDUHNTESA-N 1 0 336.392 -1.066 20 0 EAADRO C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1)N1C(=O)CCC1=O ZINC001041338411 673317419 /nfs/dbraw/zinc/31/74/19/673317419.db2.gz GWPYUODRSUTPQN-ZBEGNZNMSA-N 1 0 336.392 -1.066 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001041338433 673317528 /nfs/dbraw/zinc/31/75/28/673317528.db2.gz NSFNOWKZAUEZAI-NEPJUHHUSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001041338435 673317451 /nfs/dbraw/zinc/31/74/51/673317451.db2.gz NSFNOWKZAUEZAI-NWDGAFQWSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001041338437 673317383 /nfs/dbraw/zinc/31/73/83/673317383.db2.gz NSFNOWKZAUEZAI-RYUDHWBXSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001041338439 673317521 /nfs/dbraw/zinc/31/75/21/673317521.db2.gz NSFNOWKZAUEZAI-VXGBXAGGSA-N 1 0 340.424 -1.315 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041338511 673317377 /nfs/dbraw/zinc/31/73/77/673317377.db2.gz HYGFLQMNISLDOO-AWEZNQCLSA-N 1 0 331.438 -1.061 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041338512 673317396 /nfs/dbraw/zinc/31/73/96/673317396.db2.gz HYGFLQMNISLDOO-CQSZACIVSA-N 1 0 331.438 -1.061 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001041338568 673317481 /nfs/dbraw/zinc/31/74/81/673317481.db2.gz PCGLVJAJQJRUIK-LLVKDONJSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001041338569 673317370 /nfs/dbraw/zinc/31/73/70/673317370.db2.gz PCGLVJAJQJRUIK-NSHDSACASA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001041338580 673317471 /nfs/dbraw/zinc/31/74/71/673317471.db2.gz 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CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001041339050 673317950 /nfs/dbraw/zinc/31/79/50/673317950.db2.gz RORJBCQRIDMSCH-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001041339051 673317787 /nfs/dbraw/zinc/31/77/87/673317787.db2.gz RORJBCQRIDMSCH-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001041339073 673317955 /nfs/dbraw/zinc/31/79/55/673317955.db2.gz SGYHYRDSACMFAZ-GWCFXTLKSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001041339074 673317871 /nfs/dbraw/zinc/31/78/71/673317871.db2.gz SGYHYRDSACMFAZ-GXFFZTMASA-N 1 0 340.424 -1.459 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001041339075 673317833 /nfs/dbraw/zinc/31/78/33/673317833.db2.gz SGYHYRDSACMFAZ-MFKMUULPSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001041339076 673317884 /nfs/dbraw/zinc/31/78/84/673317884.db2.gz SGYHYRDSACMFAZ-ZWNOBZJWSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001041339081 673317920 /nfs/dbraw/zinc/31/79/20/673317920.db2.gz SKEKNZOJYHLGEV-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001041339082 673317813 /nfs/dbraw/zinc/31/78/13/673317813.db2.gz SKEKNZOJYHLGEV-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001041339103 673317853 /nfs/dbraw/zinc/31/78/53/673317853.db2.gz SRJSELUCNUCOCD-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001041339104 673317901 /nfs/dbraw/zinc/31/79/01/673317901.db2.gz SRJSELUCNUCOCD-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001041339109 673317763 /nfs/dbraw/zinc/31/77/63/673317763.db2.gz SUCAURIEBVRNHK-LLVKDONJSA-N 1 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CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001041339411 673318162 /nfs/dbraw/zinc/31/81/62/673318162.db2.gz UPBHXMMASWKSKP-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001041339414 673318248 /nfs/dbraw/zinc/31/82/48/673318248.db2.gz UPBHXMMASWKSKP-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001041339416 673318263 /nfs/dbraw/zinc/31/82/63/673318263.db2.gz UPBHXMMASWKSKP-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001041339418 673318227 /nfs/dbraw/zinc/31/82/27/673318227.db2.gz UPBHXMMASWKSKP-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001041339451 673318207 /nfs/dbraw/zinc/31/82/07/673318207.db2.gz OBXKIHYYHWJCKT-AWEZNQCLSA-N 1 0 344.437 -1.568 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001041339456 668592751 /nfs/dbraw/zinc/59/27/51/668592751.db2.gz OBXKIHYYHWJCKT-CQSZACIVSA-N 1 0 344.437 -1.568 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)CC[N@@H+]1C ZINC001041339467 673318547 /nfs/dbraw/zinc/31/85/47/673318547.db2.gz BWHJPFVDTPXHEE-GHMZBOCLSA-N 1 0 349.391 -1.175 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001041339797 673318621 /nfs/dbraw/zinc/31/86/21/673318621.db2.gz WLOBOARKACNPFT-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001041339801 673318616 /nfs/dbraw/zinc/31/86/16/673318616.db2.gz WLOBOARKACNPFT-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001041339985 673318646 /nfs/dbraw/zinc/31/86/46/673318646.db2.gz XPLAXSNYQBHVFP-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001041339986 673318537 /nfs/dbraw/zinc/31/85/37/673318537.db2.gz 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C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1)C1CC1 ZINC001041340628 673319319 /nfs/dbraw/zinc/31/93/19/673319319.db2.gz LGLHBZLCOVXPMW-CYBMUJFWSA-N 1 0 349.391 -1.175 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1)C1CC1 ZINC001041340629 673319368 /nfs/dbraw/zinc/31/93/68/673319368.db2.gz LGLHBZLCOVXPMW-ZDUSSCGKSA-N 1 0 349.391 -1.175 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340646 673319310 /nfs/dbraw/zinc/31/93/10/673319310.db2.gz LWPDHZPSDXLOGR-GHMZBOCLSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340647 673319410 /nfs/dbraw/zinc/31/94/10/673319410.db2.gz LWPDHZPSDXLOGR-MNOVXSKESA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340648 673319238 /nfs/dbraw/zinc/31/92/38/673319238.db2.gz LWPDHZPSDXLOGR-QWRGUYRKSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340649 673319376 /nfs/dbraw/zinc/31/93/76/673319376.db2.gz LWPDHZPSDXLOGR-WDEREUQCSA-N 1 0 349.391 -1.317 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340660 673319263 /nfs/dbraw/zinc/31/92/63/673319263.db2.gz MEGQRHZZPGVQSP-LLVKDONJSA-N 1 0 335.364 -1.421 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340661 673319285 /nfs/dbraw/zinc/31/92/85/673319285.db2.gz MEGQRHZZPGVQSP-NSHDSACASA-N 1 0 335.364 -1.421 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1)[NH+](C)C ZINC001041340899 673319281 /nfs/dbraw/zinc/31/92/81/673319281.db2.gz MQEUCNMHAMQDHG-LLVKDONJSA-N 1 0 337.380 -1.175 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1)[NH+](C)C ZINC001041340901 673319259 /nfs/dbraw/zinc/31/92/59/673319259.db2.gz MQEUCNMHAMQDHG-NSHDSACASA-N 1 0 337.380 -1.175 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340920 673319325 /nfs/dbraw/zinc/31/93/25/673319325.db2.gz NCPSMJUQOXKNGG-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340965 673319251 /nfs/dbraw/zinc/31/92/51/673319251.db2.gz NVECPQIVACEDIZ-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001041340978 673319362 /nfs/dbraw/zinc/31/93/62/673319362.db2.gz OAVBGTXVPYBNHE-LLVKDONJSA-N 1 0 349.391 -1.173 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001041340979 673319296 /nfs/dbraw/zinc/31/92/96/673319296.db2.gz OAVBGTXVPYBNHE-NSHDSACASA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041340996 673319302 /nfs/dbraw/zinc/31/93/02/673319302.db2.gz OTNTYIGROXYWJF-UHFFFAOYSA-N 1 0 335.364 -1.419 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001041341013 673319309 /nfs/dbraw/zinc/31/93/09/673319309.db2.gz PGILFKQRBPYPGK-UHFFFAOYSA-N 1 0 349.391 -1.173 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001041341153 673319669 /nfs/dbraw/zinc/31/96/69/673319669.db2.gz RHXUHNVHISQUPC-UHFFFAOYSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001041341203 673319661 /nfs/dbraw/zinc/31/96/61/673319661.db2.gz SGJYZOXPEVCDSV-LLVKDONJSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001041341204 673319642 /nfs/dbraw/zinc/31/96/42/673319642.db2.gz SGJYZOXPEVCDSV-NSHDSACASA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001041341252 673319612 /nfs/dbraw/zinc/31/96/12/673319612.db2.gz VAVQRDYRVLPOOG-JTQLQIEISA-N 1 0 335.364 -1.563 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001041341253 673319585 /nfs/dbraw/zinc/31/95/85/673319585.db2.gz VAVQRDYRVLPOOG-SNVBAGLBSA-N 1 0 335.364 -1.563 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccc(=O)[nH]n1 ZINC001041341296 673319684 /nfs/dbraw/zinc/31/96/84/673319684.db2.gz WSZCKJLFOOYJCA-UHFFFAOYSA-N 1 0 347.375 -1.419 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041341302 673319954 /nfs/dbraw/zinc/31/99/54/673319954.db2.gz WYHXISCEICMXHA-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041342744 673319993 /nfs/dbraw/zinc/31/99/93/673319993.db2.gz MUXGYHWKKRRSII-GFCCVEGCSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001041342746 673320017 /nfs/dbraw/zinc/32/00/17/673320017.db2.gz MUXGYHWKKRRSII-LBPRGKRZSA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001041343645 673320306 /nfs/dbraw/zinc/32/03/06/673320306.db2.gz JKGKPQMOMOTHQE-IJLUTSLNSA-N 1 0 346.395 -1.331 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001041343650 673320328 /nfs/dbraw/zinc/32/03/28/673320328.db2.gz JKGKPQMOMOTHQE-QJPTWQEYSA-N 1 0 346.395 -1.331 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]2O)C1 ZINC001041344104 673320180 /nfs/dbraw/zinc/32/01/80/673320180.db2.gz PIQOHMKDDIFAHJ-IJLUTSLNSA-N 1 0 346.395 -1.473 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]2O)C1 ZINC001041344108 673320374 /nfs/dbraw/zinc/32/03/74/673320374.db2.gz PIQOHMKDDIFAHJ-QJPTWQEYSA-N 1 0 346.395 -1.473 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001041344130 673320206 /nfs/dbraw/zinc/32/02/06/673320206.db2.gz PMGZOILONQVQSF-IJLUTSLNSA-N 1 0 346.395 -1.331 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001041344133 673320215 /nfs/dbraw/zinc/32/02/15/673320215.db2.gz PMGZOILONQVQSF-QJPTWQEYSA-N 1 0 346.395 -1.331 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@H]2O)C1 ZINC001041344220 673320364 /nfs/dbraw/zinc/32/03/64/673320364.db2.gz QMYXWLAYIFKQON-IJLUTSLNSA-N 1 0 346.395 -1.473 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@H]2O)C1 ZINC001041344222 673320273 /nfs/dbraw/zinc/32/02/73/673320273.db2.gz QMYXWLAYIFKQON-QJPTWQEYSA-N 1 0 346.395 -1.473 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001041350365 668603128 /nfs/dbraw/zinc/60/31/28/668603128.db2.gz OQCQXHFHMUIBHH-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001041350366 668603393 /nfs/dbraw/zinc/60/33/93/668603393.db2.gz OQCQXHFHMUIBHH-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041362278 673323254 /nfs/dbraw/zinc/32/32/54/673323254.db2.gz GRELMMMDMVSNBO-INIZCTEOSA-N 1 0 338.408 -1.484 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041362279 673323191 /nfs/dbraw/zinc/32/31/91/673323191.db2.gz GRELMMMDMVSNBO-MRXNPFEDSA-N 1 0 338.408 -1.484 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363229 673323243 /nfs/dbraw/zinc/32/32/43/673323243.db2.gz OZBGPUKOKOBFTI-BLLLJJGKSA-N 1 0 338.408 -1.357 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363230 673323149 /nfs/dbraw/zinc/32/31/49/673323149.db2.gz OZBGPUKOKOBFTI-LRDDRELGSA-N 1 0 338.408 -1.357 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363231 673323111 /nfs/dbraw/zinc/32/31/11/673323111.db2.gz OZBGPUKOKOBFTI-MLGOLLRUSA-N 1 0 338.408 -1.357 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363232 673323203 /nfs/dbraw/zinc/32/32/03/673323203.db2.gz OZBGPUKOKOBFTI-WBMJQRKESA-N 1 0 338.408 -1.357 20 0 EAADRO CSCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001041365870 673323213 /nfs/dbraw/zinc/32/32/13/673323213.db2.gz BNTQNZKCFNFQDW-NEPJUHHUSA-N 1 0 343.449 -1.098 20 0 EAADRO CSCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001041365871 673323468 /nfs/dbraw/zinc/32/34/68/673323468.db2.gz BNTQNZKCFNFQDW-NWDGAFQWSA-N 1 0 343.449 -1.098 20 0 EAADRO CSCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001041365872 673323439 /nfs/dbraw/zinc/32/34/39/673323439.db2.gz BNTQNZKCFNFQDW-RYUDHWBXSA-N 1 0 343.449 -1.098 20 0 EAADRO CSCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001041365873 673323579 /nfs/dbraw/zinc/32/35/79/673323579.db2.gz BNTQNZKCFNFQDW-VXGBXAGGSA-N 1 0 343.449 -1.098 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041368290 673324070 /nfs/dbraw/zinc/32/40/70/673324070.db2.gz LHWDSGJPAJSGBU-BONVTDFDSA-N 1 0 337.380 -1.745 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041368291 673323869 /nfs/dbraw/zinc/32/38/69/673323869.db2.gz LHWDSGJPAJSGBU-ZUZCIYMTSA-N 1 0 337.380 -1.745 20 0 EAADRO Cc1cc(C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)no1 ZINC001041369330 673324054 /nfs/dbraw/zinc/32/40/54/673324054.db2.gz YTMCFUUZNXXDRE-UHFFFAOYSA-N 1 0 340.380 -1.136 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)[NH+](CC)CC ZINC001041384087 673326622 /nfs/dbraw/zinc/32/66/22/673326622.db2.gz COMWYFJDFKHIDP-LLVKDONJSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)[NH+](CC)CC ZINC001041384088 673326647 /nfs/dbraw/zinc/32/66/47/673326647.db2.gz COMWYFJDFKHIDP-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)[NH+](C)C ZINC001041384333 673327136 /nfs/dbraw/zinc/32/71/36/673327136.db2.gz IAGKIEXNPDGMMW-LLVKDONJSA-N 1 0 329.401 -2.070 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)[NH+](C)C ZINC001041384337 673327263 /nfs/dbraw/zinc/32/72/63/673327263.db2.gz IAGKIEXNPDGMMW-NSHDSACASA-N 1 0 329.401 -2.070 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041384395 673327104 /nfs/dbraw/zinc/32/71/04/673327104.db2.gz JPUIOIILIBSHES-JTQLQIEISA-N 1 0 347.391 -1.976 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041384410 673327156 /nfs/dbraw/zinc/32/71/56/673327156.db2.gz JPUIOIILIBSHES-SNVBAGLBSA-N 1 0 347.391 -1.976 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC1 ZINC001041384429 673327111 /nfs/dbraw/zinc/32/71/11/673327111.db2.gz KCOIFFJFSUKEIV-UHFFFAOYSA-N 1 0 327.385 -2.314 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041384678 673327251 /nfs/dbraw/zinc/32/72/51/673327251.db2.gz LROIFFBHHHXCQA-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041384737 673327562 /nfs/dbraw/zinc/32/75/62/673327562.db2.gz MTUNOHRTYCGUNR-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001041384786 673327637 /nfs/dbraw/zinc/32/76/37/673327637.db2.gz OGDVCICJHBRBPJ-AWEZNQCLSA-N 1 0 339.396 -2.170 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC1 ZINC001041384803 673327709 /nfs/dbraw/zinc/32/77/09/673327709.db2.gz OTJZGVKEMOITHE-UHFFFAOYSA-N 1 0 327.385 -2.314 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041384994 673328165 /nfs/dbraw/zinc/32/81/65/673328165.db2.gz QJCNWBPWBJCSFZ-UHFFFAOYSA-N 1 0 331.373 -3.078 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001041385000 673328172 /nfs/dbraw/zinc/32/81/72/673328172.db2.gz QRSBYZBBSXRJHF-UHFFFAOYSA-N 1 0 339.396 -2.027 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001041385006 673328157 /nfs/dbraw/zinc/32/81/57/673328157.db2.gz RAAAGFBHSMRJEJ-UHFFFAOYSA-N 1 0 346.347 -1.694 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)C1 ZINC001041385235 673328056 /nfs/dbraw/zinc/32/80/56/673328056.db2.gz VGTJCVRNQDVJHP-JTQLQIEISA-N 1 0 327.385 -2.314 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)C1 ZINC001041385237 673328179 /nfs/dbraw/zinc/32/81/79/673328179.db2.gz VGTJCVRNQDVJHP-SNVBAGLBSA-N 1 0 327.385 -2.314 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001041385272 673328548 /nfs/dbraw/zinc/32/85/48/673328548.db2.gz VVOVALJXKCZSDQ-UHFFFAOYSA-N 1 0 325.369 -2.560 20 0 EAADRO CC1CC[NH+](CC(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC1 ZINC001041385298 673328405 /nfs/dbraw/zinc/32/84/05/673328405.db2.gz WMLQOJLPULOAGJ-UHFFFAOYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CCC1 ZINC001041385373 673328540 /nfs/dbraw/zinc/32/85/40/673328540.db2.gz YIIOJMHDINJLKY-UHFFFAOYSA-N 1 0 327.385 -2.172 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001041385476 673329168 /nfs/dbraw/zinc/32/91/68/673329168.db2.gz ZSPZONGJEUQULT-LLVKDONJSA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001041385477 673329018 /nfs/dbraw/zinc/32/90/18/673329018.db2.gz ZSPZONGJEUQULT-NSHDSACASA-N 1 0 339.396 -2.314 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC1 ZINC001041386428 673328971 /nfs/dbraw/zinc/32/89/71/673328971.db2.gz AIVNJYRUKRVCHE-UHFFFAOYSA-N 1 0 341.412 -1.924 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041386487 673329149 /nfs/dbraw/zinc/32/91/49/673329149.db2.gz BPBYVJWICMWZLY-UHFFFAOYSA-N 1 0 329.401 -1.926 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041386569 673329026 /nfs/dbraw/zinc/32/90/26/673329026.db2.gz FMXOJPKVWHUMEI-LLVKDONJSA-N 1 0 341.412 -1.783 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041386570 673328973 /nfs/dbraw/zinc/32/89/73/673328973.db2.gz FMXOJPKVWHUMEI-NSHDSACASA-N 1 0 341.412 -1.783 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041386751 673329516 /nfs/dbraw/zinc/32/95/16/673329516.db2.gz BXIHBJXLIDGPTE-LLVKDONJSA-N 1 0 341.412 -1.781 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041386753 673329595 /nfs/dbraw/zinc/32/95/95/673329595.db2.gz BXIHBJXLIDGPTE-NSHDSACASA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)CC(C)(C)C ZINC001041386885 673329326 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CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001041387463 673330094 /nfs/dbraw/zinc/33/00/94/673330094.db2.gz KKVVEWRWRDMVGM-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001041387473 673330106 /nfs/dbraw/zinc/33/01/06/673330106.db2.gz KVTIYFWLTIDMEI-UHFFFAOYSA-N 1 0 341.412 -1.780 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)C1 ZINC001041387550 673330071 /nfs/dbraw/zinc/33/00/71/673330071.db2.gz NYIFWUZPMPWUTO-UHFFFAOYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)C1CC1 ZINC001041387591 673330192 /nfs/dbraw/zinc/33/01/92/673330192.db2.gz PAAJVZGPHXGSLX-LLVKDONJSA-N 1 0 327.385 -2.316 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)C1CC1 ZINC001041387592 673330027 /nfs/dbraw/zinc/33/00/27/673330027.db2.gz PAAJVZGPHXGSLX-NSHDSACASA-N 1 0 327.385 -2.316 20 0 EAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387835 673330586 /nfs/dbraw/zinc/33/05/86/673330586.db2.gz NITRGFMMMDPZJB-GHMZBOCLSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387836 673330493 /nfs/dbraw/zinc/33/04/93/673330493.db2.gz NITRGFMMMDPZJB-PHIMTYICSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387838 673330546 /nfs/dbraw/zinc/33/05/46/673330546.db2.gz NITRGFMMMDPZJB-QWRGUYRKSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387965 673330480 /nfs/dbraw/zinc/33/04/80/673330480.db2.gz TWMFHXJQVWBDOW-NXEZZACHSA-N 1 0 327.385 -2.458 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387967 673330484 /nfs/dbraw/zinc/33/04/84/673330484.db2.gz TWMFHXJQVWBDOW-UWVGGRQHSA-N 1 0 327.385 -2.458 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387968 673330793 /nfs/dbraw/zinc/33/07/93/673330793.db2.gz TWMFHXJQVWBDOW-VHSXEESVSA-N 1 0 327.385 -2.458 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387969 673330810 /nfs/dbraw/zinc/33/08/10/673330810.db2.gz TWMFHXJQVWBDOW-ZJUUUORDSA-N 1 0 327.385 -2.458 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387984 673330727 /nfs/dbraw/zinc/33/07/27/673330727.db2.gz UDIHQLMCKXQHAQ-JTQLQIEISA-N 1 0 327.385 -2.172 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387985 673330895 /nfs/dbraw/zinc/33/08/95/673330895.db2.gz UDIHQLMCKXQHAQ-SNVBAGLBSA-N 1 0 327.385 -2.172 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041388032 673330692 /nfs/dbraw/zinc/33/06/92/673330692.db2.gz VOPSWESBEQAFQG-LLVKDONJSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041388034 673330873 /nfs/dbraw/zinc/33/08/73/673330873.db2.gz VOPSWESBEQAFQG-NSHDSACASA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001041388189 673330821 /nfs/dbraw/zinc/33/08/21/673330821.db2.gz RQCICLLNCNKWDW-NXEZZACHSA-N 1 0 327.385 -2.316 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)C1 ZINC001041388301 673331167 /nfs/dbraw/zinc/33/11/67/673331167.db2.gz XGLIKFSQVMXKTJ-JTQLQIEISA-N 1 0 327.385 -2.314 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)C1 ZINC001041388303 673331130 /nfs/dbraw/zinc/33/11/30/673331130.db2.gz XGLIKFSQVMXKTJ-SNVBAGLBSA-N 1 0 327.385 -2.314 20 0 EAADRO CC(C)(C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1)[NH+]1CCCC1 ZINC001041388361 673331037 /nfs/dbraw/zinc/33/10/37/673331037.db2.gz YFOQOKZXETWBJM-UHFFFAOYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001041388427 673331318 /nfs/dbraw/zinc/33/13/18/673331318.db2.gz ZNBOCSJDWJKWHE-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]2O)CC[N@@H+]1C ZINC001041396332 673331638 /nfs/dbraw/zinc/33/16/38/673331638.db2.gz DEDLOPGLCSKRCU-DDHJBXDOSA-N 1 0 346.395 -1.475 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@H]2O)CC[N@@H+]1C ZINC001041397321 673331478 /nfs/dbraw/zinc/33/14/78/673331478.db2.gz RTWSALPOHQQBHK-DDHJBXDOSA-N 1 0 346.395 -1.475 20 0 EAADRO O=C(Cn1cnnn1)NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001041399912 673331949 /nfs/dbraw/zinc/33/19/49/673331949.db2.gz BGUOOBIZSDUYQW-UHFFFAOYSA-N 1 0 349.395 -2.009 20 0 EAADRO O=C(Cn1cnnn1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001041400015 673332004 /nfs/dbraw/zinc/33/20/04/673332004.db2.gz CZTFRSROVAYOKT-UHFFFAOYSA-N 1 0 335.368 -2.542 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041402751 673332556 /nfs/dbraw/zinc/33/25/56/673332556.db2.gz LBKRAPICFZNQIV-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001041402950 673332504 /nfs/dbraw/zinc/33/25/04/673332504.db2.gz MDFUUUPMKOEVQQ-JTQLQIEISA-N 1 0 325.373 -2.297 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001041402952 673332567 /nfs/dbraw/zinc/33/25/67/673332567.db2.gz MDFUUUPMKOEVQQ-SNVBAGLBSA-N 1 0 325.373 -2.297 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001041402962 673332642 /nfs/dbraw/zinc/33/26/42/673332642.db2.gz MHIHCRFCUSYXTB-GFCCVEGCSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001041402964 673332518 /nfs/dbraw/zinc/33/25/18/673332518.db2.gz MHIHCRFCUSYXTB-LBPRGKRZSA-N 1 0 339.400 -2.051 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cn3cnnn3)C2)C1 ZINC001041403368 673332872 /nfs/dbraw/zinc/33/28/72/673332872.db2.gz QQBONCXVGHHKOS-LLVKDONJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cn3cnnn3)C2)C1 ZINC001041403372 673332901 /nfs/dbraw/zinc/33/29/01/673332901.db2.gz QQBONCXVGHHKOS-NSHDSACASA-N 1 0 337.384 -2.296 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041403445 673332802 /nfs/dbraw/zinc/33/28/02/673332802.db2.gz RTTQHUJDQYBOBJ-UHFFFAOYSA-N 1 0 341.372 -3.059 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041403995 673333152 /nfs/dbraw/zinc/33/31/52/673333152.db2.gz WTSAHGSYVXAGQS-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041404055 673333258 /nfs/dbraw/zinc/33/32/58/673333258.db2.gz YBTXRIQLDFEWKF-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cn3cnnn3)C2)CC1 ZINC001041404402 673333592 /nfs/dbraw/zinc/33/35/92/673333592.db2.gz BDWDSJBISMPXIT-UHFFFAOYSA-N 1 0 337.384 -2.296 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)Cn3cnnn3)C2)CC1 ZINC001041404937 673333850 /nfs/dbraw/zinc/33/38/50/673333850.db2.gz IIHNTMYDQWCWQS-UHFFFAOYSA-N 1 0 337.384 -2.296 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041405320 673333811 /nfs/dbraw/zinc/33/38/11/673333811.db2.gz JDPCRKLOKGILLZ-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041405404 673334164 /nfs/dbraw/zinc/33/41/64/673334164.db2.gz KFRHTEFFQDNXKL-UHFFFAOYSA-N 1 0 339.400 -1.907 20 0 EAADRO O=C(Cn1cnnn1)NCC1(O)CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001041405449 673334121 /nfs/dbraw/zinc/33/41/21/673334121.db2.gz LCHANSUVUUAMMI-AWEZNQCLSA-N 1 0 349.395 -2.152 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041405455 673334187 /nfs/dbraw/zinc/33/41/87/673334187.db2.gz LKUQAFGTQFQGCB-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041405706 668659471 /nfs/dbraw/zinc/65/94/71/668659471.db2.gz MRWYUARPRAZMPE-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001041405723 673334077 /nfs/dbraw/zinc/33/40/77/673334077.db2.gz MVRJRWWOLISMRY-GFCCVEGCSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001041405726 673334161 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-1.323 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001041591405 673351859 /nfs/dbraw/zinc/35/18/59/673351859.db2.gz BMDNREJHKMUMIG-QWHCGFSZSA-N 1 0 343.424 -1.323 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001041591407 673351881 /nfs/dbraw/zinc/35/18/81/673351881.db2.gz BMDNREJHKMUMIG-STQMWFEESA-N 1 0 343.424 -1.323 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041591409 673352012 /nfs/dbraw/zinc/35/20/12/673352012.db2.gz BMMHISNYAQHELZ-NEPJUHHUSA-N 1 0 327.381 -1.815 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041591412 673352041 /nfs/dbraw/zinc/35/20/41/673352041.db2.gz BMMHISNYAQHELZ-NWDGAFQWSA-N 1 0 327.381 -1.815 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041591414 673351957 /nfs/dbraw/zinc/35/19/57/673351957.db2.gz BMMHISNYAQHELZ-RYUDHWBXSA-N 1 0 327.381 -1.815 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041591416 673351890 /nfs/dbraw/zinc/35/18/90/673351890.db2.gz BMMHISNYAQHELZ-VXGBXAGGSA-N 1 0 327.381 -1.815 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1COCCO1 ZINC001041592494 673352234 /nfs/dbraw/zinc/35/22/34/673352234.db2.gz DONKCLLXKHZHBM-GFCCVEGCSA-N 1 0 339.392 -1.813 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1COCCO1 ZINC001041592497 673352197 /nfs/dbraw/zinc/35/21/97/673352197.db2.gz DONKCLLXKHZHBM-LBPRGKRZSA-N 1 0 339.392 -1.813 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041592876 673352167 /nfs/dbraw/zinc/35/21/67/673352167.db2.gz GGDHMSVWHFTBFM-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041592879 673352124 /nfs/dbraw/zinc/35/21/24/673352124.db2.gz GGDHMSVWHFTBFM-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)C1 ZINC001041593717 673352747 /nfs/dbraw/zinc/35/27/47/673352747.db2.gz KJWFFANWZKWOTB-CHWSQXEVSA-N 1 0 341.408 -1.567 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)C1 ZINC001041593719 673352790 /nfs/dbraw/zinc/35/27/90/673352790.db2.gz KJWFFANWZKWOTB-OLZOCXBDSA-N 1 0 341.408 -1.567 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)C1 ZINC001041593722 673352771 /nfs/dbraw/zinc/35/27/71/673352771.db2.gz KJWFFANWZKWOTB-QWHCGFSZSA-N 1 0 341.408 -1.567 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)C1 ZINC001041593725 673352773 /nfs/dbraw/zinc/35/27/73/673352773.db2.gz KJWFFANWZKWOTB-STQMWFEESA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041594468 673352923 /nfs/dbraw/zinc/35/29/23/673352923.db2.gz OZFGITMSBXZYNS-GFCCVEGCSA-N 1 0 345.396 -2.331 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041594471 673352921 /nfs/dbraw/zinc/35/29/21/673352921.db2.gz OZFGITMSBXZYNS-LBPRGKRZSA-N 1 0 345.396 -2.331 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001041594830 673353290 /nfs/dbraw/zinc/35/32/90/673353290.db2.gz RVRBPSBJEKWJMJ-NEPJUHHUSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1)[NH+](C)C ZINC001041594831 673353276 /nfs/dbraw/zinc/35/32/76/673353276.db2.gz RVRBPSBJEKWJMJ-NWDGAFQWSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001041594832 673353300 /nfs/dbraw/zinc/35/33/00/673353300.db2.gz RVRBPSBJEKWJMJ-RYUDHWBXSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1)[NH+](C)C ZINC001041594834 673353274 /nfs/dbraw/zinc/35/32/74/673353274.db2.gz RVRBPSBJEKWJMJ-VXGBXAGGSA-N 1 0 329.397 -1.569 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041595074 673353149 /nfs/dbraw/zinc/35/31/49/673353149.db2.gz SMGDCKQPCQCRKI-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041595076 673353240 /nfs/dbraw/zinc/35/32/40/673353240.db2.gz SMGDCKQPCQCRKI-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041595629 673353548 /nfs/dbraw/zinc/35/35/48/673353548.db2.gz XNCXTHZAVVCTAE-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041595630 673353464 /nfs/dbraw/zinc/35/34/64/673353464.db2.gz XNCXTHZAVVCTAE-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041600552 673353987 /nfs/dbraw/zinc/35/39/87/673353987.db2.gz CUAUPCLKGFSUJW-CHWSQXEVSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041600558 673354100 /nfs/dbraw/zinc/35/41/00/673354100.db2.gz CUAUPCLKGFSUJW-OLZOCXBDSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041600563 673354038 /nfs/dbraw/zinc/35/40/38/673354038.db2.gz CUAUPCLKGFSUJW-QWHCGFSZSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041600569 673354003 /nfs/dbraw/zinc/35/40/03/673354003.db2.gz CUAUPCLKGFSUJW-STQMWFEESA-N 1 0 341.408 -1.424 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1)C1CC1 ZINC001041600631 673354023 /nfs/dbraw/zinc/35/40/23/673354023.db2.gz DLQXPVIECNLBDV-CHWSQXEVSA-N 1 0 341.408 -1.569 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1)C1CC1 ZINC001041600633 673354113 /nfs/dbraw/zinc/35/41/13/673354113.db2.gz DLQXPVIECNLBDV-OLZOCXBDSA-N 1 0 341.408 -1.569 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1)C1CC1 ZINC001041600635 673354070 /nfs/dbraw/zinc/35/40/70/673354070.db2.gz DLQXPVIECNLBDV-QWHCGFSZSA-N 1 0 341.408 -1.569 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1)C1CC1 ZINC001041600637 673354147 /nfs/dbraw/zinc/35/41/47/673354147.db2.gz DLQXPVIECNLBDV-STQMWFEESA-N 1 0 341.408 -1.569 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1)C1CCC1 ZINC001041600782 673354044 /nfs/dbraw/zinc/35/40/44/673354044.db2.gz FWYCTQIDTJOTAE-CYBMUJFWSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1)C1CCC1 ZINC001041600784 673354140 /nfs/dbraw/zinc/35/41/40/673354140.db2.gz FWYCTQIDTJOTAE-ZDUSSCGKSA-N 1 0 341.408 -1.424 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)CC[N@@H+]1C ZINC001041601210 673354461 /nfs/dbraw/zinc/35/44/61/673354461.db2.gz FNJXRXCZQIANSH-JHJVBQTASA-N 1 0 341.408 -1.569 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)CC[N@@H+]1C ZINC001041601212 673354337 /nfs/dbraw/zinc/35/43/37/673354337.db2.gz FNJXRXCZQIANSH-UPJWGTAASA-N 1 0 341.408 -1.569 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041601361 673354409 /nfs/dbraw/zinc/35/44/09/673354409.db2.gz HHIFPWNYKNILOY-UHFFFAOYSA-N 1 0 325.369 -1.709 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041601605 673354268 /nfs/dbraw/zinc/35/42/68/673354268.db2.gz ISQUBCRVKAVIJE-GFCCVEGCSA-N 1 0 327.381 -1.813 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041601607 673354284 /nfs/dbraw/zinc/35/42/84/673354284.db2.gz ISQUBCRVKAVIJE-LBPRGKRZSA-N 1 0 327.381 -1.813 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)C1 ZINC001041601912 673354423 /nfs/dbraw/zinc/35/44/23/673354423.db2.gz MIVGUJXJUPCCJJ-NEPJUHHUSA-N 1 0 327.381 -1.957 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)C1 ZINC001041601914 673354437 /nfs/dbraw/zinc/35/44/37/673354437.db2.gz MIVGUJXJUPCCJJ-NWDGAFQWSA-N 1 0 327.381 -1.957 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)C1 ZINC001041601916 673354367 /nfs/dbraw/zinc/35/43/67/673354367.db2.gz MIVGUJXJUPCCJJ-RYUDHWBXSA-N 1 0 327.381 -1.957 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)C1 ZINC001041601918 673354463 /nfs/dbraw/zinc/35/44/63/673354463.db2.gz MIVGUJXJUPCCJJ-VXGBXAGGSA-N 1 0 327.381 -1.957 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041602296 673354692 /nfs/dbraw/zinc/35/46/92/673354692.db2.gz QGJFRASHEJGKNB-GFCCVEGCSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041602297 673354721 /nfs/dbraw/zinc/35/47/21/673354721.db2.gz QGJFRASHEJGKNB-LBPRGKRZSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041602598 673354732 /nfs/dbraw/zinc/35/47/32/673354732.db2.gz UDEDZOPIEMPVOB-GFCCVEGCSA-N 1 0 329.397 -1.569 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041602600 673354671 /nfs/dbraw/zinc/35/46/71/673354671.db2.gz UDEDZOPIEMPVOB-LBPRGKRZSA-N 1 0 329.397 -1.569 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)CC1 ZINC001041603434 673354938 /nfs/dbraw/zinc/35/49/38/673354938.db2.gz JDGXFGVLAXDOFO-GFCCVEGCSA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)CC1 ZINC001041603437 673354968 /nfs/dbraw/zinc/35/49/68/673354968.db2.gz JDGXFGVLAXDOFO-LBPRGKRZSA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041603749 673355018 /nfs/dbraw/zinc/35/50/18/673355018.db2.gz MDLDWSCJZRKPDP-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041603750 673354911 /nfs/dbraw/zinc/35/49/11/673354911.db2.gz MDLDWSCJZRKPDP-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041604465 673355222 /nfs/dbraw/zinc/35/52/22/673355222.db2.gz SAPJEMBJRTZLNR-CHWSQXEVSA-N 1 0 341.408 -1.424 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041604470 673355207 /nfs/dbraw/zinc/35/52/07/673355207.db2.gz SAPJEMBJRTZLNR-OLZOCXBDSA-N 1 0 341.408 -1.424 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041604474 673355279 /nfs/dbraw/zinc/35/52/79/673355279.db2.gz SAPJEMBJRTZLNR-QWHCGFSZSA-N 1 0 341.408 -1.424 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041604477 673355185 /nfs/dbraw/zinc/35/51/85/673355185.db2.gz SAPJEMBJRTZLNR-STQMWFEESA-N 1 0 341.408 -1.424 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001041604496 668199030 /nfs/dbraw/zinc/19/90/30/668199030.db2.gz SKOUYXMIAMCECX-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001041604497 668198979 /nfs/dbraw/zinc/19/89/79/668198979.db2.gz SKOUYXMIAMCECX-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)CC1 ZINC001041604567 673355683 /nfs/dbraw/zinc/35/56/83/673355683.db2.gz TZNLTORTXCTKIL-CYBMUJFWSA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)CC1 ZINC001041604568 673355516 /nfs/dbraw/zinc/35/55/16/673355516.db2.gz TZNLTORTXCTKIL-ZDUSSCGKSA-N 1 0 341.408 -1.567 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)C1 ZINC001041604662 673355622 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CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001041771806 673377197 /nfs/dbraw/zinc/37/71/97/673377197.db2.gz DETDCRLGWAGMLZ-STQMWFEESA-N 1 0 343.424 -1.180 20 0 EAADRO Cc1cnn(CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001041775586 673378099 /nfs/dbraw/zinc/37/80/99/673378099.db2.gz BWNRVINFZJEHPM-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041776168 673378297 /nfs/dbraw/zinc/37/82/97/673378297.db2.gz WCJODHAGNBXOLN-HNNXBMFYSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041776171 673378473 /nfs/dbraw/zinc/37/84/73/673378473.db2.gz WCJODHAGNBXOLN-OAHLLOKOSA-N 1 0 337.380 -1.662 20 0 EAADRO Cc1cnn(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001041776174 673378326 /nfs/dbraw/zinc/37/83/26/673378326.db2.gz PZQJDTWCLARUPF-CYBMUJFWSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1cnn(CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001041776176 673378411 /nfs/dbraw/zinc/37/84/11/673378411.db2.gz PZQJDTWCLARUPF-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1cnn(CC(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001041776573 673378306 /nfs/dbraw/zinc/37/83/06/673378306.db2.gz WPLNSTPTCRFRDN-UHFFFAOYSA-N 1 0 347.419 -1.023 20 0 EAADRO Cc1cnn(CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001041776588 673378354 /nfs/dbraw/zinc/37/83/54/673378354.db2.gz XEEWEOQODQJIDB-CYBMUJFWSA-N 1 0 335.408 -1.025 20 0 EAADRO Cc1cnn(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001041776589 673378382 /nfs/dbraw/zinc/37/83/82/673378382.db2.gz XEEWEOQODQJIDB-ZDUSSCGKSA-N 1 0 335.408 -1.025 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001041779543 673378708 /nfs/dbraw/zinc/37/87/08/673378708.db2.gz BQYUYAYNGPZAQC-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001041779545 673378692 /nfs/dbraw/zinc/37/86/92/673378692.db2.gz BQYUYAYNGPZAQC-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001041783300 673378970 /nfs/dbraw/zinc/37/89/70/673378970.db2.gz FJRBAULYIYMICJ-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001041783302 673379042 /nfs/dbraw/zinc/37/90/42/673379042.db2.gz FJRBAULYIYMICJ-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)CCC)C1 ZINC001041783672 673379467 /nfs/dbraw/zinc/37/94/67/673379467.db2.gz IPUIFNBSSKFQPY-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001041783715 668309300 /nfs/dbraw/zinc/30/93/00/668309300.db2.gz JMDAMSCAAXBPAZ-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001041783888 673379428 /nfs/dbraw/zinc/37/94/28/673379428.db2.gz KRLOCNKEOPQOJG-UHFFFAOYSA-N 1 0 342.440 -1.068 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001041783933 673379410 /nfs/dbraw/zinc/37/94/10/673379410.db2.gz MEHJRYMOTBECRW-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001041784021 673379397 /nfs/dbraw/zinc/37/93/97/673379397.db2.gz NVUCKZIJVGVCNQ-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001041784063 673379436 /nfs/dbraw/zinc/37/94/36/673379436.db2.gz OJXRLHXHFCEZSL-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001041784064 673379262 /nfs/dbraw/zinc/37/92/62/673379262.db2.gz OJXRLHXHFCEZSL-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001041784530 673379446 /nfs/dbraw/zinc/37/94/46/673379446.db2.gz VPZNGBSTJPRCMQ-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001041784778 673379381 /nfs/dbraw/zinc/37/93/81/673379381.db2.gz ZVYLRNSXJRIGDL-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)C1=O ZINC001041784936 673379415 /nfs/dbraw/zinc/37/94/15/673379415.db2.gz ASGSLKYDJSOHIZ-HNNXBMFYSA-N 1 0 337.380 -1.710 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)C1=O ZINC001041784938 673379450 /nfs/dbraw/zinc/37/94/50/673379450.db2.gz ASGSLKYDJSOHIZ-OAHLLOKOSA-N 1 0 337.380 -1.710 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041787068 673379329 /nfs/dbraw/zinc/37/93/29/673379329.db2.gz MPBYRPUDKNVZJT-HNNXBMFYSA-N 1 0 332.364 -1.052 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041787070 673379384 /nfs/dbraw/zinc/37/93/84/673379384.db2.gz MPBYRPUDKNVZJT-OAHLLOKOSA-N 1 0 332.364 -1.052 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)n1 ZINC001041797983 673379696 /nfs/dbraw/zinc/37/96/96/673379696.db2.gz UAGQKQBIXXKQNE-INIZCTEOSA-N 1 0 333.392 -1.039 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)n1 ZINC001041797984 673379770 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EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001041802559 673380327 /nfs/dbraw/zinc/38/03/27/673380327.db2.gz KOXDSVFLYWXGEN-UHFFFAOYSA-N 1 0 335.426 -1.938 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001041802613 673380474 /nfs/dbraw/zinc/38/04/74/673380474.db2.gz LWKZYHANVJKQAS-UHFFFAOYSA-N 1 0 335.426 -1.938 20 0 EAADRO CS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001041802630 668317065 /nfs/dbraw/zinc/31/70/65/668317065.db2.gz MHQWZMCMEIAYSS-UHFFFAOYSA-N 1 0 345.421 -2.184 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)CS(C)(=O)=O)C2)C1 ZINC001041802730 673380358 /nfs/dbraw/zinc/38/03/58/673380358.db2.gz NKNGAPHYVFHPKR-LLVKDONJSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)CS(C)(=O)=O)C2)C1 ZINC001041802731 673380557 /nfs/dbraw/zinc/38/05/57/673380557.db2.gz NKNGAPHYVFHPKR-NSHDSACASA-N 1 0 347.437 -1.938 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)CS(C)(=O)=O)C2)CC1 ZINC001041802752 673380307 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ZINC001041930118 673392193 /nfs/dbraw/zinc/39/21/93/673392193.db2.gz XRFWVXAGXLSHII-AAEUAGOBSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21)NC1CC1 ZINC001041930119 673391981 /nfs/dbraw/zinc/39/19/81/673391981.db2.gz XRFWVXAGXLSHII-DGCLKSJQSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21)NC1CC1 ZINC001041930120 673391944 /nfs/dbraw/zinc/39/19/44/673391944.db2.gz XRFWVXAGXLSHII-WCQYABFASA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)NC1CC1 ZINC001041930121 673391922 /nfs/dbraw/zinc/39/19/22/673391922.db2.gz XRFWVXAGXLSHII-YPMHNXCESA-N 1 0 333.396 -1.126 20 0 EAADRO CO[C@H](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001041938663 673392392 /nfs/dbraw/zinc/39/23/92/673392392.db2.gz VZROWDTWBHAZOQ-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO CO[C@@H](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001041938665 673392373 /nfs/dbraw/zinc/39/23/73/673392373.db2.gz VZROWDTWBHAZOQ-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001041948362 673393316 /nfs/dbraw/zinc/39/33/16/673393316.db2.gz LORJNYOGXQPQAT-CYBMUJFWSA-N 1 0 335.408 -1.254 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001041948364 673393407 /nfs/dbraw/zinc/39/34/07/673393407.db2.gz LORJNYOGXQPQAT-ZDUSSCGKSA-N 1 0 335.408 -1.254 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001041951621 673393614 /nfs/dbraw/zinc/39/36/14/673393614.db2.gz DATXTNYXFBXXDD-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001041951622 673393634 /nfs/dbraw/zinc/39/36/34/673393634.db2.gz DATXTNYXFBXXDD-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001041951804 673393974 /nfs/dbraw/zinc/39/39/74/673393974.db2.gz HWHGVTYCXJKIHW-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001041951841 673394023 /nfs/dbraw/zinc/39/40/23/673394023.db2.gz IYVPEDSFCMJEBY-UHFFFAOYSA-N 1 0 347.419 -1.252 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041951974 673393945 /nfs/dbraw/zinc/39/39/45/673393945.db2.gz JWRJXHNSBRJOQT-GXTWGEPZSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041951977 673393897 /nfs/dbraw/zinc/39/38/97/673393897.db2.gz JWRJXHNSBRJOQT-JSGCOSHPSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041951978 673393992 /nfs/dbraw/zinc/39/39/92/673393992.db2.gz JWRJXHNSBRJOQT-OCCSQVGLSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041951979 673393955 /nfs/dbraw/zinc/39/39/55/673393955.db2.gz JWRJXHNSBRJOQT-TZMCWYRMSA-N 1 0 349.435 -1.150 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041951987 673394004 /nfs/dbraw/zinc/39/40/04/673394004.db2.gz KERKGZJLIOVFCB-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1)[NH+](C)C ZINC001041952062 673393966 /nfs/dbraw/zinc/39/39/66/673393966.db2.gz LTKLJAWHFAWTIU-CYBMUJFWSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1)[NH+](C)C ZINC001041952065 673393932 /nfs/dbraw/zinc/39/39/32/673393932.db2.gz LTKLJAWHFAWTIU-ZDUSSCGKSA-N 1 0 337.424 -1.008 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001041952220 673394029 /nfs/dbraw/zinc/39/40/29/673394029.db2.gz NGPPGYRPKKFZEJ-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041952311 673393976 /nfs/dbraw/zinc/39/39/76/673393976.db2.gz PDZKTDBFSSDONM-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001041952462 673393969 /nfs/dbraw/zinc/39/39/69/673393969.db2.gz SOCBERLKAGLPSN-HNNXBMFYSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001041952464 673393913 /nfs/dbraw/zinc/39/39/13/673393913.db2.gz SOCBERLKAGLPSN-OAHLLOKOSA-N 1 0 349.435 -1.008 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041952485 673393908 /nfs/dbraw/zinc/39/39/08/673393908.db2.gz UAHMZSAPJJAWAJ-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001041952774 673393942 /nfs/dbraw/zinc/39/39/42/673393942.db2.gz WMSMZKVUCOOTNE-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3cnn(C)c3)C2)C1 ZINC001041952788 673393922 /nfs/dbraw/zinc/39/39/22/673393922.db2.gz WTZXPCAZMWPWFQ-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3cnn(C)c3)C2)C1 ZINC001041952789 673394009 /nfs/dbraw/zinc/39/40/09/673394009.db2.gz WTZXPCAZMWPWFQ-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001041966106 673394161 /nfs/dbraw/zinc/39/41/61/673394161.db2.gz FTOPHZUPEZENJA-TZMCWYRMSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001041966266 673394254 /nfs/dbraw/zinc/39/42/54/673394254.db2.gz IWEIXOWRSSNDNG-UHFFFAOYSA-N 1 0 335.408 -1.252 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001041966397 673394275 /nfs/dbraw/zinc/39/42/75/673394275.db2.gz JSNLPLNUZHCDQD-UHFFFAOYSA-N 1 0 337.424 -1.008 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001041966734 673394500 /nfs/dbraw/zinc/39/45/00/673394500.db2.gz UFHSFPWHQQXWAL-CYBMUJFWSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1cc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001041966735 673394609 /nfs/dbraw/zinc/39/46/09/673394609.db2.gz UFHSFPWHQQXWAL-ZDUSSCGKSA-N 1 0 335.408 -1.396 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 ZINC001041976433 673394902 /nfs/dbraw/zinc/39/49/02/673394902.db2.gz LWCPXFJMHZMRNQ-UHFFFAOYSA-N 1 0 341.408 -1.052 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001041979776 673395164 /nfs/dbraw/zinc/39/51/64/673395164.db2.gz HGRWHIDFMPAZSF-NEPJUHHUSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001041979777 673395212 /nfs/dbraw/zinc/39/52/12/673395212.db2.gz HGRWHIDFMPAZSF-NWDGAFQWSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001041979778 673395189 /nfs/dbraw/zinc/39/51/89/673395189.db2.gz HGRWHIDFMPAZSF-RYUDHWBXSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001041979779 673395122 /nfs/dbraw/zinc/39/51/22/673395122.db2.gz HGRWHIDFMPAZSF-VXGBXAGGSA-N 1 0 341.408 -1.173 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001041980170 673395003 /nfs/dbraw/zinc/39/50/03/673395003.db2.gz MOXCSAHGCPUPPI-NEPJUHHUSA-N 1 0 339.392 -1.419 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001041980171 673395203 /nfs/dbraw/zinc/39/52/03/673395203.db2.gz MOXCSAHGCPUPPI-NWDGAFQWSA-N 1 0 339.392 -1.419 20 0 EAADRO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001041980172 673395117 /nfs/dbraw/zinc/39/51/17/673395117.db2.gz MOXCSAHGCPUPPI-RYUDHWBXSA-N 1 0 339.392 -1.419 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001041980173 673395030 /nfs/dbraw/zinc/39/50/30/673395030.db2.gz MOXCSAHGCPUPPI-VXGBXAGGSA-N 1 0 339.392 -1.419 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001041980297 673395147 /nfs/dbraw/zinc/39/51/47/673395147.db2.gz OGUJUVYAQIOPQX-NEPJUHHUSA-N 1 0 341.408 -1.175 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001041980298 673395020 /nfs/dbraw/zinc/39/50/20/673395020.db2.gz OGUJUVYAQIOPQX-NWDGAFQWSA-N 1 0 341.408 -1.175 20 0 EAADRO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001041980299 673395178 /nfs/dbraw/zinc/39/51/78/673395178.db2.gz OGUJUVYAQIOPQX-RYUDHWBXSA-N 1 0 341.408 -1.175 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001041980301 673395087 /nfs/dbraw/zinc/39/50/87/673395087.db2.gz OGUJUVYAQIOPQX-VXGBXAGGSA-N 1 0 341.408 -1.175 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001041983414 673395389 /nfs/dbraw/zinc/39/53/89/673395389.db2.gz AIIDBLDBJHZOHD-NEPJUHHUSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001041983416 673395380 /nfs/dbraw/zinc/39/53/80/673395380.db2.gz AIIDBLDBJHZOHD-NWDGAFQWSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001041983417 673395353 /nfs/dbraw/zinc/39/53/53/673395353.db2.gz AIIDBLDBJHZOHD-RYUDHWBXSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001041983418 673395617 /nfs/dbraw/zinc/39/56/17/673395617.db2.gz 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ZINC001042070811 673405314 /nfs/dbraw/zinc/40/53/14/673405314.db2.gz AJYQDSOYCVBFOI-LLVKDONJSA-N 1 0 336.392 -1.950 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001042070839 673405138 /nfs/dbraw/zinc/40/51/38/673405138.db2.gz AYPCEOTUNJYIFA-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001042070858 673405270 /nfs/dbraw/zinc/40/52/70/673405270.db2.gz CBZQPFSLUMVENU-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001042070873 673405179 /nfs/dbraw/zinc/40/51/79/673405179.db2.gz COSCOWIXYVMXAU-LLVKDONJSA-N 1 0 342.396 -2.467 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001042070891 673405556 /nfs/dbraw/zinc/40/55/56/673405556.db2.gz DXQDYSWIWKIXLN-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001042070892 673405610 /nfs/dbraw/zinc/40/56/10/673405610.db2.gz 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CCNC(=O)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042092060 673407906 /nfs/dbraw/zinc/40/79/06/673407906.db2.gz JWSCFESKRNITAK-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 ZINC001042092313 673408195 /nfs/dbraw/zinc/40/81/95/673408195.db2.gz MQIDVJPNUBFCBV-GFCCVEGCSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 ZINC001042092314 673408184 /nfs/dbraw/zinc/40/81/84/673408184.db2.gz MQIDVJPNUBFCBV-LBPRGKRZSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnsn2)C1 ZINC001042092316 673408228 /nfs/dbraw/zinc/40/82/28/673408228.db2.gz MRFOEOPEMHDCQA-JTQLQIEISA-N 1 0 325.394 -1.065 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnsn2)C1 ZINC001042092317 673408159 /nfs/dbraw/zinc/40/81/59/673408159.db2.gz MRFOEOPEMHDCQA-SNVBAGLBSA-N 1 0 325.394 -1.065 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001042092325 673408107 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325.365 -1.342 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 ZINC001042093084 673408340 /nfs/dbraw/zinc/40/83/40/673408340.db2.gz SLIMENUIFLCOKS-NSHDSACASA-N 1 0 325.365 -1.342 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001042093350 673408252 /nfs/dbraw/zinc/40/82/52/673408252.db2.gz UTPLVAGKIDWHIO-LLVKDONJSA-N 1 0 335.364 -1.421 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001042093352 673408315 /nfs/dbraw/zinc/40/83/15/673408315.db2.gz UTPLVAGKIDWHIO-NSHDSACASA-N 1 0 335.364 -1.421 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001042093379 673408265 /nfs/dbraw/zinc/40/82/65/673408265.db2.gz VGCQXENFZIIVAV-CYBMUJFWSA-N 1 0 334.376 -1.283 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001042093380 673408176 /nfs/dbraw/zinc/40/81/76/673408176.db2.gz VGCQXENFZIIVAV-ZDUSSCGKSA-N 1 0 334.376 -1.283 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042093448 673408075 /nfs/dbraw/zinc/40/80/75/673408075.db2.gz WVAVRNWXEQQBMR-GFCCVEGCSA-N 1 0 326.397 -1.752 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042093513 673408321 /nfs/dbraw/zinc/40/83/21/673408321.db2.gz WVAVRNWXEQQBMR-LBPRGKRZSA-N 1 0 326.397 -1.752 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CN2CN=NC2=O)C1 ZINC001042096751 673408345 /nfs/dbraw/zinc/40/83/45/673408345.db2.gz AKJUYPQWHQORLT-JTQLQIEISA-N 1 0 338.368 -2.233 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CN2CN=NC2=O)C1 ZINC001042096752 673408129 /nfs/dbraw/zinc/40/81/29/673408129.db2.gz AKJUYPQWHQORLT-SNVBAGLBSA-N 1 0 338.368 -2.233 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001042096771 673408823 /nfs/dbraw/zinc/40/88/23/673408823.db2.gz AWNDSPVUVICXAL-LLVKDONJSA-N 1 0 336.396 -1.561 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001042096772 673408818 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MVQUYUHJDOZHAO-RYUDHWBXSA-N 1 0 336.396 -1.377 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)n1cncn1 ZINC001042098085 673408656 /nfs/dbraw/zinc/40/86/56/673408656.db2.gz MVQUYUHJDOZHAO-VXGBXAGGSA-N 1 0 336.396 -1.377 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001042098092 673408718 /nfs/dbraw/zinc/40/87/18/673408718.db2.gz MYMHLBYPEITGJM-NEPJUHHUSA-N 1 0 339.392 -1.277 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001042098093 673408782 /nfs/dbraw/zinc/40/87/82/673408782.db2.gz MYMHLBYPEITGJM-NWDGAFQWSA-N 1 0 339.392 -1.277 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001042098094 673408877 /nfs/dbraw/zinc/40/88/77/673408877.db2.gz MYMHLBYPEITGJM-RYUDHWBXSA-N 1 0 339.392 -1.277 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001042098095 673408466 /nfs/dbraw/zinc/40/84/66/673408466.db2.gz MYMHLBYPEITGJM-VXGBXAGGSA-N 1 0 339.392 -1.277 20 0 EAADRO CCn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001042098140 673408713 /nfs/dbraw/zinc/40/87/13/673408713.db2.gz ODHYKUQGMXPOCE-GFCCVEGCSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001042098141 673408829 /nfs/dbraw/zinc/40/88/29/673408829.db2.gz ODHYKUQGMXPOCE-LBPRGKRZSA-N 1 0 336.396 -1.305 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001042098142 673409246 /nfs/dbraw/zinc/40/92/46/673409246.db2.gz ODKWTQTUUKSRGH-CHWSQXEVSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001042098143 673409353 /nfs/dbraw/zinc/40/93/53/673409353.db2.gz ODKWTQTUUKSRGH-OLZOCXBDSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1 ZINC001042098144 673409416 /nfs/dbraw/zinc/40/94/16/673409416.db2.gz ODKWTQTUUKSRGH-QWHCGFSZSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1 ZINC001042098145 673409122 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C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC2OCCCO2)C1 ZINC001042098305 673409303 /nfs/dbraw/zinc/40/93/03/673409303.db2.gz PETJDVJWVIUKGS-LBPRGKRZSA-N 1 0 341.408 -1.077 20 0 EAADRO CCn1nncc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042098318 673409125 /nfs/dbraw/zinc/40/91/25/673409125.db2.gz POLMECVSEZSVLI-LLVKDONJSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1nncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042098319 673409131 /nfs/dbraw/zinc/40/91/31/673409131.db2.gz POLMECVSEZSVLI-NSHDSACASA-N 1 0 336.396 -1.305 20 0 EAADRO Cn1oc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001042098340 673409119 /nfs/dbraw/zinc/40/91/19/673409119.db2.gz QEAUMBQIKWGXLZ-JTQLQIEISA-N 1 0 338.364 -1.624 20 0 EAADRO Cn1oc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001042098341 673409487 /nfs/dbraw/zinc/40/94/87/673409487.db2.gz QEAUMBQIKWGXLZ-SNVBAGLBSA-N 1 0 338.364 -1.624 20 0 EAADRO CNC(=O)NCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042098364 673409193 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CC(=O)N1CC(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001042098530 673409145 /nfs/dbraw/zinc/40/91/45/673409145.db2.gz SCHOWQJEYHZRRS-CYBMUJFWSA-N 1 0 338.408 -1.752 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001042098531 673409139 /nfs/dbraw/zinc/40/91/39/673409139.db2.gz SCHOWQJEYHZRRS-ZDUSSCGKSA-N 1 0 338.408 -1.752 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CCc2nnc[nH]2)C1 ZINC001042098602 673409134 /nfs/dbraw/zinc/40/91/34/673409134.db2.gz UECDYJYSJZGLIF-LLVKDONJSA-N 1 0 336.396 -1.479 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCc2nnc[nH]2)C1 ZINC001042098606 673409177 /nfs/dbraw/zinc/40/91/77/673409177.db2.gz UECDYJYSJZGLIF-NSHDSACASA-N 1 0 336.396 -1.479 20 0 EAADRO CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001042098662 673409156 /nfs/dbraw/zinc/40/91/56/673409156.db2.gz UUIFGFNOYAVRPF-GFCCVEGCSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001042098663 673409105 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COCCOCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001042131057 673414317 /nfs/dbraw/zinc/41/43/17/673414317.db2.gz REQUIFFZNNKKIJ-UHFFFAOYSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOCC(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001042131265 673414447 /nfs/dbraw/zinc/41/44/47/673414447.db2.gz WCSGBAHGVOKAHQ-UHFFFAOYSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001042131375 673414427 /nfs/dbraw/zinc/41/44/27/673414427.db2.gz ZFXCMSPNGKOIAQ-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001042131376 673414362 /nfs/dbraw/zinc/41/43/62/673414362.db2.gz ZFXCMSPNGKOIAQ-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042134904 673414621 /nfs/dbraw/zinc/41/46/21/673414621.db2.gz MNQYSCYXXBEEOQ-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042135107 673414685 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NC(=O)CN1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001042142940 673414632 /nfs/dbraw/zinc/41/46/32/673414632.db2.gz PWEZQKZAZNBCEV-QWRGUYRKSA-N 1 0 335.364 -1.643 20 0 EAADRO NC(=O)CN1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001042142941 673414714 /nfs/dbraw/zinc/41/47/14/673414714.db2.gz PWEZQKZAZNBCEV-WDEREUQCSA-N 1 0 335.364 -1.643 20 0 EAADRO NC(=O)CN1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001042143676 673414850 /nfs/dbraw/zinc/41/48/50/673414850.db2.gz ZKAGNUSKCSQRSC-NEPJUHHUSA-N 1 0 336.392 -1.066 20 0 EAADRO NC(=O)CN1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001042143678 673414652 /nfs/dbraw/zinc/41/46/52/673414652.db2.gz ZKAGNUSKCSQRSC-NWDGAFQWSA-N 1 0 336.392 -1.066 20 0 EAADRO NC(=O)CN1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001042143679 673414676 /nfs/dbraw/zinc/41/46/76/673414676.db2.gz ZKAGNUSKCSQRSC-RYUDHWBXSA-N 1 0 336.392 -1.066 20 0 EAADRO NC(=O)CN1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001042143681 673414796 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GLPNQOORTBWDDA-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042153836 673415296 /nfs/dbraw/zinc/41/52/96/673415296.db2.gz GLPNQOORTBWDDA-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)C(=O)C(C)(C)C)C1 ZINC001042159375 668618807 /nfs/dbraw/zinc/61/88/07/668618807.db2.gz XWHJURPDHFYHGN-UHFFFAOYSA-N 1 0 343.424 -1.131 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042173862 673416681 /nfs/dbraw/zinc/41/66/81/673416681.db2.gz AVIAJCZHZADXLG-JTQLQIEISA-N 1 0 334.380 -1.544 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042173864 673416659 /nfs/dbraw/zinc/41/66/59/673416659.db2.gz AVIAJCZHZADXLG-SNVBAGLBSA-N 1 0 334.380 -1.544 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)CC1 ZINC001042178032 673417701 /nfs/dbraw/zinc/41/77/01/673417701.db2.gz BIAQQBBOXXXCIZ-UHFFFAOYSA-N 1 0 348.407 -1.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)C1 ZINC001042178071 673417659 /nfs/dbraw/zinc/41/76/59/673417659.db2.gz DAALWWKTLBLYEN-JTQLQIEISA-N 1 0 334.380 -1.686 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)C1 ZINC001042178072 673417551 /nfs/dbraw/zinc/41/75/51/673417551.db2.gz DAALWWKTLBLYEN-SNVBAGLBSA-N 1 0 334.380 -1.686 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042178188 673417880 /nfs/dbraw/zinc/41/78/80/673417880.db2.gz FYHUASVXXJOBRS-NSHDSACASA-N 1 0 348.407 -1.154 20 0 EAADRO Nc1nccnc1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042178199 673417839 /nfs/dbraw/zinc/41/78/39/673417839.db2.gz GDCIXIIVMWQZGU-UHFFFAOYSA-N 1 0 346.391 -1.542 20 0 EAADRO Nc1nccnc1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042178275 673418037 /nfs/dbraw/zinc/41/80/37/673418037.db2.gz ICGIDDGVNAUBLA-UHFFFAOYSA-N 1 0 334.380 -1.542 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042178284 673417832 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EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042178565 673418042 /nfs/dbraw/zinc/41/80/42/673418042.db2.gz NHYVDKVZNCSXCC-GHMZBOCLSA-N 1 0 348.407 -1.440 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042178567 673417995 /nfs/dbraw/zinc/41/79/95/673417995.db2.gz NHYVDKVZNCSXCC-MNOVXSKESA-N 1 0 348.407 -1.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042178570 673417865 /nfs/dbraw/zinc/41/78/65/673417865.db2.gz NHYVDKVZNCSXCC-QWRGUYRKSA-N 1 0 348.407 -1.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042178572 673417957 /nfs/dbraw/zinc/41/79/57/673417957.db2.gz NHYVDKVZNCSXCC-WDEREUQCSA-N 1 0 348.407 -1.440 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)C1 ZINC001042178666 673418217 /nfs/dbraw/zinc/41/82/17/673418217.db2.gz OHGNXLRVRLTKLY-LLVKDONJSA-N 1 0 348.407 -1.296 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)C1 ZINC001042178668 673418195 /nfs/dbraw/zinc/41/81/95/673418195.db2.gz OHGNXLRVRLTKLY-NSHDSACASA-N 1 0 348.407 -1.296 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)C1 ZINC001042178823 673418334 /nfs/dbraw/zinc/41/83/34/673418334.db2.gz RWBFGMQNRATMOF-LLVKDONJSA-N 1 0 348.407 -1.296 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)C1 ZINC001042178824 673418274 /nfs/dbraw/zinc/41/82/74/673418274.db2.gz RWBFGMQNRATMOF-NSHDSACASA-N 1 0 348.407 -1.296 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)CC[N@@H+]1C ZINC001042178866 673418159 /nfs/dbraw/zinc/41/81/59/673418159.db2.gz SMSQSVMSJYQOHM-GHMZBOCLSA-N 1 0 348.407 -1.298 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042179029 673418172 /nfs/dbraw/zinc/41/81/72/673418172.db2.gz VQTQLZUAVIBVIA-UHFFFAOYSA-N 1 0 336.396 -1.296 20 0 EAADRO Nc1nccnc1C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001042179046 673418301 /nfs/dbraw/zinc/41/83/01/673418301.db2.gz VYWVGQVBHDTLST-UHFFFAOYSA-N 1 0 331.336 -1.672 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1)[NH+](C)C ZINC001042179075 673418177 /nfs/dbraw/zinc/41/81/77/673418177.db2.gz WPYLFSPUAPCZJJ-JTQLQIEISA-N 1 0 336.396 -1.298 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1)[NH+](C)C ZINC001042179076 673418188 /nfs/dbraw/zinc/41/81/88/673418188.db2.gz WPYLFSPUAPCZJJ-SNVBAGLBSA-N 1 0 336.396 -1.298 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042179086 673418543 /nfs/dbraw/zinc/41/85/43/673418543.db2.gz WXXAVEJIMHHKGO-UHFFFAOYSA-N 1 0 336.396 -1.298 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001042179108 673418715 /nfs/dbraw/zinc/41/87/15/673418715.db2.gz XPTWKVXQEODRTF-UHFFFAOYSA-N 1 0 336.396 -1.296 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3nccnc3N)C2)CC1 ZINC001042179162 673418504 /nfs/dbraw/zinc/41/85/04/673418504.db2.gz YJQYZBDZPWININ-UHFFFAOYSA-N 1 0 348.407 -1.296 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1)C1CCC1 ZINC001042179188 673418582 /nfs/dbraw/zinc/41/85/82/673418582.db2.gz ZBNFWBTXRLFSQD-UHFFFAOYSA-N 1 0 348.407 -1.154 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042185241 673418655 /nfs/dbraw/zinc/41/86/55/673418655.db2.gz RBBWYDGTXISBAM-CHWSQXEVSA-N 1 0 337.424 -1.913 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042185244 673418658 /nfs/dbraw/zinc/41/86/58/673418658.db2.gz RBBWYDGTXISBAM-OLZOCXBDSA-N 1 0 337.424 -1.913 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042185246 673418647 /nfs/dbraw/zinc/41/86/47/673418647.db2.gz RBBWYDGTXISBAM-QWHCGFSZSA-N 1 0 337.424 -1.913 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042185248 673418610 /nfs/dbraw/zinc/41/86/10/673418610.db2.gz RBBWYDGTXISBAM-STQMWFEESA-N 1 0 337.424 -1.913 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)n1 ZINC001042192205 673418945 /nfs/dbraw/zinc/41/89/45/673418945.db2.gz YLDDVUZCUYYPBE-NEPJUHHUSA-N 1 0 348.411 -1.228 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]3CC[N@H+](CCN4CCNC4=O)[C@@H]3C2)n1 ZINC001042192206 673419096 /nfs/dbraw/zinc/41/90/96/673419096.db2.gz YLDDVUZCUYYPBE-NWDGAFQWSA-N 1 0 348.411 -1.228 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)n1 ZINC001042192207 673419156 /nfs/dbraw/zinc/41/91/56/673419156.db2.gz YLDDVUZCUYYPBE-RYUDHWBXSA-N 1 0 348.411 -1.228 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@@H]3C2)n1 ZINC001042192208 673419013 /nfs/dbraw/zinc/41/90/13/673419013.db2.gz YLDDVUZCUYYPBE-VXGBXAGGSA-N 1 0 348.411 -1.228 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 ZINC001042209710 673420131 /nfs/dbraw/zinc/42/01/31/673420131.db2.gz MCZQRFDNKGUBPV-UHFFFAOYSA-N 1 0 340.380 -1.515 20 0 EAADRO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042212067 673420428 /nfs/dbraw/zinc/42/04/28/673420428.db2.gz YVPJMJVXBQKXHR-GHMZBOCLSA-N 1 0 337.380 -1.664 20 0 EAADRO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042212068 673420347 /nfs/dbraw/zinc/42/03/47/673420347.db2.gz YVPJMJVXBQKXHR-MNOVXSKESA-N 1 0 337.380 -1.664 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042212069 673420379 /nfs/dbraw/zinc/42/03/79/673420379.db2.gz YVPJMJVXBQKXHR-QWRGUYRKSA-N 1 0 337.380 -1.664 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042212070 673420445 /nfs/dbraw/zinc/42/04/45/673420445.db2.gz YVPJMJVXBQKXHR-WDEREUQCSA-N 1 0 337.380 -1.664 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)cc1 ZINC001042213800 673421206 /nfs/dbraw/zinc/42/12/06/673421206.db2.gz ULFFFSPBLYYQNE-UHFFFAOYSA-N 1 0 348.403 -1.073 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001042213819 668685888 /nfs/dbraw/zinc/68/58/88/668685888.db2.gz VBADOZADHJYIFN-UHFFFAOYSA-N 1 0 331.332 -1.487 20 0 EAADRO CC1CC[NH+](CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC1 ZINC001042216448 673421155 /nfs/dbraw/zinc/42/11/55/673421155.db2.gz DUWBSMNDVYEBBO-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042216598 673421469 /nfs/dbraw/zinc/42/14/69/673421469.db2.gz HNQYMWAJHKSAQE-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042216599 673421446 /nfs/dbraw/zinc/42/14/46/673421446.db2.gz HNQYMWAJHKSAQE-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042216600 673421473 /nfs/dbraw/zinc/42/14/73/673421473.db2.gz HNQYMWAJHKSAQE-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042216601 673421476 /nfs/dbraw/zinc/42/14/76/673421476.db2.gz HNQYMWAJHKSAQE-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042216818 673421439 /nfs/dbraw/zinc/42/14/39/673421439.db2.gz LDIDZJIETCBBGM-UHFFFAOYSA-N 1 0 335.364 -1.674 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)C(C)C ZINC001042216886 673421771 /nfs/dbraw/zinc/42/17/71/673421771.db2.gz NAOWDGXQXXMCTH-AWEZNQCLSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)C(C)C ZINC001042216887 673421785 /nfs/dbraw/zinc/42/17/85/673421785.db2.gz NAOWDGXQXXMCTH-CQSZACIVSA-N 1 0 342.440 -1.082 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC1 ZINC001042216930 673421756 /nfs/dbraw/zinc/42/17/56/673421756.db2.gz NWUZKLLJODMKQL-UHFFFAOYSA-N 1 0 342.396 -2.338 20 0 EAADRO CC(C)(C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCCC1 ZINC001042220596 673422696 /nfs/dbraw/zinc/42/26/96/673422696.db2.gz XYBYBAODMCFVKA-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042220599 673422599 /nfs/dbraw/zinc/42/25/99/673422599.db2.gz YAHSQSGDUPRREV-UHFFFAOYSA-N 1 0 338.364 -1.480 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001042220703 673422723 /nfs/dbraw/zinc/42/27/23/673422723.db2.gz YXPPDUCIELUJHQ-NEPJUHHUSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001042220704 673422649 /nfs/dbraw/zinc/42/26/49/673422649.db2.gz YXPPDUCIELUJHQ-NWDGAFQWSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001042220705 673422630 /nfs/dbraw/zinc/42/26/30/673422630.db2.gz YXPPDUCIELUJHQ-RYUDHWBXSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001042220706 673422659 /nfs/dbraw/zinc/42/26/59/673422659.db2.gz YXPPDUCIELUJHQ-VXGBXAGGSA-N 1 0 338.408 -1.574 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC1 ZINC001042220733 673422707 /nfs/dbraw/zinc/42/27/07/673422707.db2.gz ZZKPIRVRHGXBOR-UHFFFAOYSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042222791 673423043 /nfs/dbraw/zinc/42/30/43/673423043.db2.gz AINITJXINCJTSF-JTQLQIEISA-N 1 0 332.376 -1.769 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042222792 673423016 /nfs/dbraw/zinc/42/30/16/673423016.db2.gz AINITJXINCJTSF-SNVBAGLBSA-N 1 0 332.376 -1.769 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042222848 673422922 /nfs/dbraw/zinc/42/29/22/673422922.db2.gz CRKTTXSHOFMOIG-GFCCVEGCSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042222849 673422861 /nfs/dbraw/zinc/42/28/61/673422861.db2.gz CRKTTXSHOFMOIG-LBPRGKRZSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)(C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001042223156 673423334 /nfs/dbraw/zinc/42/33/34/673423334.db2.gz HTVYMOWNXBXYRG-UHFFFAOYSA-N 1 0 326.397 -1.574 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223176 673423342 /nfs/dbraw/zinc/42/33/42/673423342.db2.gz IKAOGTOWOSNPDT-GFCCVEGCSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223177 673423206 /nfs/dbraw/zinc/42/32/06/673423206.db2.gz IKAOGTOWOSNPDT-LBPRGKRZSA-N 1 0 340.424 -1.186 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)CC(C)(C)C ZINC001042223288 673423171 /nfs/dbraw/zinc/42/31/71/673423171.db2.gz IZENHUDWVPVZSO-UHFFFAOYSA-N 1 0 328.413 -1.471 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223293 673423297 /nfs/dbraw/zinc/42/32/97/673423297.db2.gz JBCRTPXQXBDLRU-GFCCVEGCSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223294 673423317 /nfs/dbraw/zinc/42/33/17/673423317.db2.gz JBCRTPXQXBDLRU-LBPRGKRZSA-N 1 0 340.424 -1.186 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC1 ZINC001042223393 673423230 /nfs/dbraw/zinc/42/32/30/673423230.db2.gz MJBHDNGMAUSKTN-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001042223398 673423264 /nfs/dbraw/zinc/42/32/64/673423264.db2.gz MOSYURSMSLIOJP-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042223672 673423607 /nfs/dbraw/zinc/42/36/07/673423607.db2.gz QWXQDDVZMWKQGI-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223685 673423546 /nfs/dbraw/zinc/42/35/46/673423546.db2.gz RFPLGDJBWZTHKT-LLVKDONJSA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223686 673423484 /nfs/dbraw/zinc/42/34/84/673423484.db2.gz RFPLGDJBWZTHKT-NSHDSACASA-N 1 0 326.397 -1.574 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+](CC)CC ZINC001042223691 673423471 /nfs/dbraw/zinc/42/34/71/673423471.db2.gz RLTNSJYVZNBPRQ-LLVKDONJSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+](CC)CC ZINC001042223692 673423596 /nfs/dbraw/zinc/42/35/96/673423596.db2.gz RLTNSJYVZNBPRQ-NSHDSACASA-N 1 0 328.413 -1.328 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001042223894 673423879 /nfs/dbraw/zinc/42/38/79/673423879.db2.gz VLXXLLUYEGFDBJ-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001042223895 673423910 /nfs/dbraw/zinc/42/39/10/673423910.db2.gz VLXXLLUYEGFDBJ-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042224000 673423884 /nfs/dbraw/zinc/42/38/84/673423884.db2.gz YLNGLGKQJSUBMJ-LLVKDONJSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042224002 673423952 /nfs/dbraw/zinc/42/39/52/673423952.db2.gz YLNGLGKQJSUBMJ-NSHDSACASA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042226622 673424318 /nfs/dbraw/zinc/42/43/18/673424318.db2.gz CLDYXCUQEVPTOA-LLVKDONJSA-N 1 0 342.396 -2.340 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042226623 673424271 /nfs/dbraw/zinc/42/42/71/673424271.db2.gz CLDYXCUQEVPTOA-NSHDSACASA-N 1 0 342.396 -2.340 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042226919 673424113 /nfs/dbraw/zinc/42/41/13/673424113.db2.gz KVIHWWZZGYRTOP-LLVKDONJSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042226920 673424152 /nfs/dbraw/zinc/42/41/52/673424152.db2.gz KVIHWWZZGYRTOP-NSHDSACASA-N 1 0 326.397 -1.574 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042226925 673424169 /nfs/dbraw/zinc/42/41/69/673424169.db2.gz KZDGRTTWYYEKEK-GFCCVEGCSA-N 1 0 340.424 -1.327 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042226926 673424100 /nfs/dbraw/zinc/42/41/00/673424100.db2.gz KZDGRTTWYYEKEK-LBPRGKRZSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001042227073 673424147 /nfs/dbraw/zinc/42/41/47/673424147.db2.gz NVJNQALACYFUTH-NEPJUHHUSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001042227074 673424064 /nfs/dbraw/zinc/42/40/64/673424064.db2.gz NVJNQALACYFUTH-NWDGAFQWSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001042227075 673424434 /nfs/dbraw/zinc/42/44/34/673424434.db2.gz NVJNQALACYFUTH-RYUDHWBXSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001042227076 673424518 /nfs/dbraw/zinc/42/45/18/673424518.db2.gz NVJNQALACYFUTH-VXGBXAGGSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001042227125 673424577 /nfs/dbraw/zinc/42/45/77/673424577.db2.gz PLKIZXPROLEZFT-UHFFFAOYSA-N 1 0 338.408 -1.573 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001042227147 673424411 /nfs/dbraw/zinc/42/44/11/673424411.db2.gz QFXUHGOJYFLRRU-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042227303 673424616 /nfs/dbraw/zinc/42/46/16/673424616.db2.gz VCZVBWWWKCDLQQ-GFCCVEGCSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042227305 673424492 /nfs/dbraw/zinc/42/44/92/673424492.db2.gz VCZVBWWWKCDLQQ-LBPRGKRZSA-N 1 0 340.424 -1.328 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042230749 673424854 /nfs/dbraw/zinc/42/48/54/673424854.db2.gz XDTPQQXVLVKYDA-GXSJLCMTSA-N 1 0 343.409 -1.414 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042230750 673424845 /nfs/dbraw/zinc/42/48/45/673424845.db2.gz XDTPQQXVLVKYDA-KOLCDFICSA-N 1 0 343.409 -1.414 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042230751 673424710 /nfs/dbraw/zinc/42/47/10/673424710.db2.gz XDTPQQXVLVKYDA-MWLCHTKSSA-N 1 0 343.409 -1.414 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042230752 673424908 /nfs/dbraw/zinc/42/49/08/673424908.db2.gz XDTPQQXVLVKYDA-ONGXEEELSA-N 1 0 343.409 -1.414 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231216 673424961 /nfs/dbraw/zinc/42/49/61/673424961.db2.gz BUERWYPLSKLNJU-LLVKDONJSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231217 673424822 /nfs/dbraw/zinc/42/48/22/673424822.db2.gz BUERWYPLSKLNJU-NSHDSACASA-N 1 0 342.396 -2.480 20 0 EAADRO Cc1c(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001042231236 673424936 /nfs/dbraw/zinc/42/49/36/673424936.db2.gz CJVABTCPTYPDBD-UHFFFAOYSA-N 1 0 345.359 -1.179 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231481 673425040 /nfs/dbraw/zinc/42/50/40/673425040.db2.gz GKFWXIIQWRGSFP-UHFFFAOYSA-N 1 0 348.403 -1.073 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001042231485 673425180 /nfs/dbraw/zinc/42/51/80/673425180.db2.gz GRRXWTKGTLLVAR-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001042231513 673425079 /nfs/dbraw/zinc/42/50/79/673425079.db2.gz HOPRIYCHWUBXFW-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001042231551 673425056 /nfs/dbraw/zinc/42/50/56/673425056.db2.gz ISYMRMGSAMJAIS-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)c1 ZINC001042231573 673425126 /nfs/dbraw/zinc/42/51/26/673425126.db2.gz JAPSFNRODACDTO-UHFFFAOYSA-N 1 0 348.403 -1.073 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231674 673425134 /nfs/dbraw/zinc/42/51/34/673425134.db2.gz JGXZJYJVGITFKE-LLVKDONJSA-N 1 0 326.397 -1.574 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231675 673425240 /nfs/dbraw/zinc/42/52/40/673425240.db2.gz JGXZJYJVGITFKE-NSHDSACASA-N 1 0 326.397 -1.574 20 0 EAADRO CN(CCC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)c1cc[nH+]cc1 ZINC001042231771 673425395 /nfs/dbraw/zinc/42/53/95/673425395.db2.gz MUUSPFHRARGHEY-UHFFFAOYSA-N 1 0 349.391 -1.527 20 0 EAADRO C[NH+](C)C1(CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CCCC1 ZINC001042231801 673425450 /nfs/dbraw/zinc/42/54/50/673425450.db2.gz MYVXHTCZTUDUBS-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001042231813 673425390 /nfs/dbraw/zinc/42/53/90/673425390.db2.gz NIAOFRXXQPXRPM-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001042231892 673425537 /nfs/dbraw/zinc/42/55/37/673425537.db2.gz PVGCAORHCGUIPA-AWEZNQCLSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001042231894 673425431 /nfs/dbraw/zinc/42/54/31/673425431.db2.gz PVGCAORHCGUIPA-CQSZACIVSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042232080 673425832 /nfs/dbraw/zinc/42/58/32/673425832.db2.gz VHQFZEIQHGYDJA-GHMZBOCLSA-N 1 0 326.397 -1.576 20 0 EAADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042232081 673425870 /nfs/dbraw/zinc/42/58/70/673425870.db2.gz VHQFZEIQHGYDJA-PHIMTYICSA-N 1 0 326.397 -1.576 20 0 EAADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042232082 673425781 /nfs/dbraw/zinc/42/57/81/673425781.db2.gz VHQFZEIQHGYDJA-QWRGUYRKSA-N 1 0 326.397 -1.576 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001042232172 673425733 /nfs/dbraw/zinc/42/57/33/673425733.db2.gz WCNLWKNCOZLWQS-AWEZNQCLSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001042232173 673425863 /nfs/dbraw/zinc/42/58/63/673425863.db2.gz WCNLWKNCOZLWQS-CQSZACIVSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001042232221 673425994 /nfs/dbraw/zinc/42/59/94/673425994.db2.gz XPMQINVBCQBMMW-NEPJUHHUSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001042232222 673426195 /nfs/dbraw/zinc/42/61/95/673426195.db2.gz XPMQINVBCQBMMW-NWDGAFQWSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001042232223 673426151 /nfs/dbraw/zinc/42/61/51/673426151.db2.gz XPMQINVBCQBMMW-RYUDHWBXSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001042232224 673426183 /nfs/dbraw/zinc/42/61/83/673426183.db2.gz XPMQINVBCQBMMW-VXGBXAGGSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001042232278 673426110 /nfs/dbraw/zinc/42/61/10/673426110.db2.gz ZWYPMPWDEVKJGX-UHFFFAOYSA-N 1 0 331.332 -1.487 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042236678 673426435 /nfs/dbraw/zinc/42/64/35/673426435.db2.gz OOXHBBMGUZMMFY-GHMZBOCLSA-N 1 0 340.380 -2.586 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042236679 673426322 /nfs/dbraw/zinc/42/63/22/673426322.db2.gz OOXHBBMGUZMMFY-MNOVXSKESA-N 1 0 340.380 -2.586 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042236680 673426356 /nfs/dbraw/zinc/42/63/56/673426356.db2.gz OOXHBBMGUZMMFY-QWRGUYRKSA-N 1 0 340.380 -2.586 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042236681 673426389 /nfs/dbraw/zinc/42/63/89/673426389.db2.gz OOXHBBMGUZMMFY-WDEREUQCSA-N 1 0 340.380 -2.586 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001042245578 673427279 /nfs/dbraw/zinc/42/72/79/673427279.db2.gz WMCXCOWYITWFCE-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001042245579 673427468 /nfs/dbraw/zinc/42/74/68/673427468.db2.gz WMCXCOWYITWFCE-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@H]3C2)c(=O)n(C)c1=O ZINC001042252896 673427435 /nfs/dbraw/zinc/42/74/35/673427435.db2.gz BDQGNUCMAHZEBF-AAEUAGOBSA-N 1 0 336.392 -1.387 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@@H]3C2)c(=O)n(C)c1=O ZINC001042252901 673427470 /nfs/dbraw/zinc/42/74/70/673427470.db2.gz BDQGNUCMAHZEBF-DGCLKSJQSA-N 1 0 336.392 -1.387 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@@H]3C2)c(=O)n(C)c1=O ZINC001042252903 673427394 /nfs/dbraw/zinc/42/73/94/673427394.db2.gz BDQGNUCMAHZEBF-WCQYABFASA-N 1 0 336.392 -1.387 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)c(=O)n(C)c1=O ZINC001042252905 673427412 /nfs/dbraw/zinc/42/74/12/673427412.db2.gz BDQGNUCMAHZEBF-YPMHNXCESA-N 1 0 336.392 -1.387 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CC[N@H+](CCO)[C@@H]3C2)C1=O ZINC001042253218 673427285 /nfs/dbraw/zinc/42/72/85/673427285.db2.gz FYGVUMUBGBRHPZ-GHMZBOCLSA-N 1 0 338.364 -1.678 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)C1=O ZINC001042253219 673427490 /nfs/dbraw/zinc/42/74/90/673427490.db2.gz FYGVUMUBGBRHPZ-MNOVXSKESA-N 1 0 338.364 -1.678 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@H]3C2)C1=O ZINC001042253220 673427368 /nfs/dbraw/zinc/42/73/68/673427368.db2.gz FYGVUMUBGBRHPZ-QWRGUYRKSA-N 1 0 338.364 -1.678 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@@H]3C2)C1=O ZINC001042253221 673427460 /nfs/dbraw/zinc/42/74/60/673427460.db2.gz FYGVUMUBGBRHPZ-WDEREUQCSA-N 1 0 338.364 -1.678 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042254982 673427781 /nfs/dbraw/zinc/42/77/81/673427781.db2.gz PMHUJKYESCUXQO-GXTWGEPZSA-N 1 0 346.391 -1.194 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042254983 673427886 /nfs/dbraw/zinc/42/78/86/673427886.db2.gz PMHUJKYESCUXQO-JSGCOSHPSA-N 1 0 346.391 -1.194 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042254984 673427858 /nfs/dbraw/zinc/42/78/58/673427858.db2.gz PMHUJKYESCUXQO-OCCSQVGLSA-N 1 0 346.391 -1.194 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042254985 673427641 /nfs/dbraw/zinc/42/76/41/673427641.db2.gz PMHUJKYESCUXQO-TZMCWYRMSA-N 1 0 346.391 -1.194 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042258568 673428150 /nfs/dbraw/zinc/42/81/50/673428150.db2.gz FIDGJEJQZIWLGC-UHFFFAOYSA-N 1 0 339.396 -1.780 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001042259723 673428011 /nfs/dbraw/zinc/42/80/11/673428011.db2.gz PEPXYIBVUMZVIH-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001042259724 673428024 /nfs/dbraw/zinc/42/80/24/673428024.db2.gz PEPXYIBVUMZVIH-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042259758 673428271 /nfs/dbraw/zinc/42/82/71/673428271.db2.gz QHXNCNJQAWJJCP-UHFFFAOYSA-N 1 0 333.392 -1.263 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)CC1 ZINC001042264103 673428373 /nfs/dbraw/zinc/42/83/73/673428373.db2.gz FMYAJNWFLSIEEE-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042266038 673428619 /nfs/dbraw/zinc/42/86/19/673428619.db2.gz JRVSVLFVJZDXAZ-CMPLNLGQSA-N 1 0 336.392 -1.292 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042266039 673428865 /nfs/dbraw/zinc/42/88/65/673428865.db2.gz JRVSVLFVJZDXAZ-JQWIXIFHSA-N 1 0 336.392 -1.292 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042266040 673428736 /nfs/dbraw/zinc/42/87/36/673428736.db2.gz JRVSVLFVJZDXAZ-PWSUYJOCSA-N 1 0 336.392 -1.292 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042266041 673428825 /nfs/dbraw/zinc/42/88/25/673428825.db2.gz JRVSVLFVJZDXAZ-ZYHUDNBSSA-N 1 0 336.392 -1.292 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042268895 673428704 /nfs/dbraw/zinc/42/87/04/673428704.db2.gz GJMLRYGNXFODHG-CHWSQXEVSA-N 1 0 336.392 -1.158 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042268896 673428754 /nfs/dbraw/zinc/42/87/54/673428754.db2.gz GJMLRYGNXFODHG-OLZOCXBDSA-N 1 0 336.392 -1.158 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042268897 673428767 /nfs/dbraw/zinc/42/87/67/673428767.db2.gz GJMLRYGNXFODHG-QWHCGFSZSA-N 1 0 336.392 -1.158 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042268898 673428643 /nfs/dbraw/zinc/42/86/43/673428643.db2.gz GJMLRYGNXFODHG-STQMWFEESA-N 1 0 336.392 -1.158 20 0 EAADRO O=C(Cc1cc[nH]n1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001042269173 673428808 /nfs/dbraw/zinc/42/88/08/673428808.db2.gz DFXGXRMZOJZNJP-AWEZNQCLSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001042269175 673428858 /nfs/dbraw/zinc/42/88/58/673428858.db2.gz DFXGXRMZOJZNJP-CQSZACIVSA-N 1 0 347.419 -1.017 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)CC[N@@H+]1C ZINC001042269426 673428853 /nfs/dbraw/zinc/42/88/53/673428853.db2.gz GVWQFAUJGLTHFJ-DGCLKSJQSA-N 1 0 335.408 -1.018 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001042269488 673429002 /nfs/dbraw/zinc/42/90/02/673429002.db2.gz IDAVLSJENDNPOY-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001042269489 673428974 /nfs/dbraw/zinc/42/89/74/673428974.db2.gz IDAVLSJENDNPOY-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)CC1 ZINC001042269775 673428968 /nfs/dbraw/zinc/42/89/68/673428968.db2.gz MXORJWCLQFNDHO-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1)C1CC1 ZINC001042269945 673429121 /nfs/dbraw/zinc/42/91/21/673429121.db2.gz NVBGTCFJNYAZCR-AWEZNQCLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1)C1CC1 ZINC001042269947 673429061 /nfs/dbraw/zinc/42/90/61/673429061.db2.gz NVBGTCFJNYAZCR-CQSZACIVSA-N 1 0 335.408 -1.018 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042270170 673428989 /nfs/dbraw/zinc/42/89/89/673428989.db2.gz SEDIOLIOYUITMY-AAEUAGOBSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042270172 673429042 /nfs/dbraw/zinc/42/90/42/673429042.db2.gz SEDIOLIOYUITMY-DGCLKSJQSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042270173 673429156 /nfs/dbraw/zinc/42/91/56/673429156.db2.gz SEDIOLIOYUITMY-WCQYABFASA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042270174 673429133 /nfs/dbraw/zinc/42/91/33/673429133.db2.gz SEDIOLIOYUITMY-YPMHNXCESA-N 1 0 335.408 -1.161 20 0 EAADRO NC(=O)CN1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042271054 673429302 /nfs/dbraw/zinc/42/93/02/673429302.db2.gz VZTQENQTSQKUES-NEPJUHHUSA-N 1 0 349.391 -1.665 20 0 EAADRO NC(=O)CN1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042271055 673429529 /nfs/dbraw/zinc/42/95/29/673429529.db2.gz VZTQENQTSQKUES-NWDGAFQWSA-N 1 0 349.391 -1.665 20 0 EAADRO NC(=O)CN1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042271056 673429540 /nfs/dbraw/zinc/42/95/40/673429540.db2.gz VZTQENQTSQKUES-RYUDHWBXSA-N 1 0 349.391 -1.665 20 0 EAADRO NC(=O)CN1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042271057 673429498 /nfs/dbraw/zinc/42/94/98/673429498.db2.gz VZTQENQTSQKUES-VXGBXAGGSA-N 1 0 349.391 -1.665 20 0 EAADRO O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042272614 673429332 /nfs/dbraw/zinc/42/93/32/673429332.db2.gz PJOXEFKNQCMSDD-AAEUAGOBSA-N 1 0 346.391 -1.014 20 0 EAADRO O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042272615 673429352 /nfs/dbraw/zinc/42/93/52/673429352.db2.gz PJOXEFKNQCMSDD-DGCLKSJQSA-N 1 0 346.391 -1.014 20 0 EAADRO O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042272616 673429517 /nfs/dbraw/zinc/42/95/17/673429517.db2.gz PJOXEFKNQCMSDD-WCQYABFASA-N 1 0 346.391 -1.014 20 0 EAADRO O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042272617 673429459 /nfs/dbraw/zinc/42/94/59/673429459.db2.gz PJOXEFKNQCMSDD-YPMHNXCESA-N 1 0 346.391 -1.014 20 0 EAADRO O=C(Cc1cc[nH]n1)NCC1(O)CN(C(=O)CCc2c[nH]cn2)C1 ZINC001042272708 673429480 /nfs/dbraw/zinc/42/94/80/673429480.db2.gz HLOKSZJAZJKUPL-UHFFFAOYSA-N 1 0 332.364 -1.002 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042273367 673429831 /nfs/dbraw/zinc/42/98/31/673429831.db2.gz SDMMIEMCPOBTFE-GHMZBOCLSA-N 1 0 337.380 -1.793 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042273368 673429921 /nfs/dbraw/zinc/42/99/21/673429921.db2.gz SDMMIEMCPOBTFE-MNOVXSKESA-N 1 0 337.380 -1.793 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042273369 673429784 /nfs/dbraw/zinc/42/97/84/673429784.db2.gz SDMMIEMCPOBTFE-QWRGUYRKSA-N 1 0 337.380 -1.793 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042273370 673429792 /nfs/dbraw/zinc/42/97/92/673429792.db2.gz SDMMIEMCPOBTFE-WDEREUQCSA-N 1 0 337.380 -1.793 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042275584 673429927 /nfs/dbraw/zinc/42/99/27/673429927.db2.gz VBCDGVSYAUORKA-GHMZBOCLSA-N 1 0 347.379 -1.107 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042275585 673429892 /nfs/dbraw/zinc/42/98/92/673429892.db2.gz VBCDGVSYAUORKA-MNOVXSKESA-N 1 0 347.379 -1.107 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042275586 673429915 /nfs/dbraw/zinc/42/99/15/673429915.db2.gz VBCDGVSYAUORKA-QWRGUYRKSA-N 1 0 347.379 -1.107 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042275587 673429855 /nfs/dbraw/zinc/42/98/55/673429855.db2.gz VBCDGVSYAUORKA-WDEREUQCSA-N 1 0 347.379 -1.107 20 0 EAADRO Cc1c(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nnn1C ZINC001042277246 673430505 /nfs/dbraw/zinc/43/05/05/673430505.db2.gz PDONZURPZGPVBD-LLVKDONJSA-N 1 0 336.396 -1.479 20 0 EAADRO Cc1c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nnn1C ZINC001042277248 673430520 /nfs/dbraw/zinc/43/05/20/673430520.db2.gz PDONZURPZGPVBD-NSHDSACASA-N 1 0 336.396 -1.479 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001042279944 673430765 /nfs/dbraw/zinc/43/07/65/673430765.db2.gz BOHSRNZXJOZCNE-UHFFFAOYSA-N 1 0 338.412 -1.232 20 0 EAADRO Cc1c(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)nnn1C ZINC001042280321 673430729 /nfs/dbraw/zinc/43/07/29/673430729.db2.gz KCEUGKZAIBAKHZ-UHFFFAOYSA-N 1 0 336.396 -1.478 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001042280354 673430703 /nfs/dbraw/zinc/43/07/03/673430703.db2.gz LKKQYEOYLHGLAE-UHFFFAOYSA-N 1 0 338.412 -1.232 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1)[NH+](C)C ZINC001042280540 673430688 /nfs/dbraw/zinc/43/06/88/673430688.db2.gz OPNCOGPJAFTIBP-LLVKDONJSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1)[NH+](C)C ZINC001042280541 673431213 /nfs/dbraw/zinc/43/12/13/673431213.db2.gz OPNCOGPJAFTIBP-NSHDSACASA-N 1 0 338.412 -1.233 20 0 EAADRO Cc1c(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)nnn1C ZINC001042280658 673431209 /nfs/dbraw/zinc/43/12/09/673431209.db2.gz RMOPNRROQANJSG-UHFFFAOYSA-N 1 0 348.407 -1.478 20 0 EAADRO Cc1c(C(=O)NCC2(O)CN(C(=O)C[N@@H+](C)C(C)C)C2)nnn1C ZINC001042280681 673431137 /nfs/dbraw/zinc/43/11/37/673431137.db2.gz SHMGMHPIMFALGX-UHFFFAOYSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001042280690 673431160 /nfs/dbraw/zinc/43/11/60/673431160.db2.gz SOJPYXQDBNCBKB-UHFFFAOYSA-N 1 0 338.412 -1.232 20 0 EAADRO Cc1c(C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)nnn1C ZINC001042280866 673431011 /nfs/dbraw/zinc/43/10/11/673431011.db2.gz VTTKHJGNBPQLLH-UHFFFAOYSA-N 1 0 338.412 -1.232 20 0 EAADRO Cc1c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nnn1C ZINC001042280939 673431048 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CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001042778873 673486194 /nfs/dbraw/zinc/48/61/94/673486194.db2.gz MNMAFBMZODCQPL-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(CCn1ccnn1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042779237 673486477 /nfs/dbraw/zinc/48/64/77/673486477.db2.gz UHJXFDISTHFBNT-UHFFFAOYSA-N 1 0 348.407 -1.547 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1)[NH+](C)C ZINC001042779300 673486358 /nfs/dbraw/zinc/48/63/58/673486358.db2.gz WBVOPQRWCNYNTK-GFCCVEGCSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1)[NH+](C)C ZINC001042779301 673486368 /nfs/dbraw/zinc/48/63/68/673486368.db2.gz WBVOPQRWCNYNTK-LBPRGKRZSA-N 1 0 338.412 -1.302 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001042781011 673486339 /nfs/dbraw/zinc/48/63/39/673486339.db2.gz GINCXGHCAUKCHK-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(CCn1ccnn1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042781629 673486736 /nfs/dbraw/zinc/48/67/36/673486736.db2.gz NZSUNDFOUBSYDQ-UHFFFAOYSA-N 1 0 336.396 -1.547 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCn3ccnn3)C2)C1 ZINC001042781987 673486799 /nfs/dbraw/zinc/48/67/99/673486799.db2.gz RSEIJYJOJBOYJA-GFCCVEGCSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCn3ccnn3)C2)C1 ZINC001042781988 673486770 /nfs/dbraw/zinc/48/67/70/673486770.db2.gz RSEIJYJOJBOYJA-LBPRGKRZSA-N 1 0 336.396 -1.691 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001042783671 673487104 /nfs/dbraw/zinc/48/71/04/673487104.db2.gz AKQAJDVAWNOTOZ-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001042783693 673487147 /nfs/dbraw/zinc/48/71/47/673487147.db2.gz BGBGBOIYITYVBW-UHFFFAOYSA-N 1 0 338.408 -1.750 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001042783708 673487101 /nfs/dbraw/zinc/48/71/01/673487101.db2.gz CAJGHPCHVLILAQ-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001042783724 673487137 /nfs/dbraw/zinc/48/71/37/673487137.db2.gz CIRLLYUKIYUFRX-UHFFFAOYSA-N 1 0 340.380 -1.377 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001042783772 673487355 /nfs/dbraw/zinc/48/73/55/673487355.db2.gz DOMSTZOVBQQTCV-UHFFFAOYSA-N 1 0 340.380 -1.377 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001042783801 673487337 /nfs/dbraw/zinc/48/73/37/673487337.db2.gz FNOWIBPNMFNZRH-JTQLQIEISA-N 1 0 338.364 -1.624 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001042783802 673487388 /nfs/dbraw/zinc/48/73/88/673487388.db2.gz FNOWIBPNMFNZRH-SNVBAGLBSA-N 1 0 338.364 -1.624 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1)[NH+](C)C ZINC001042783812 673487370 /nfs/dbraw/zinc/48/73/70/673487370.db2.gz FSMBARPAGKRIFW-JTQLQIEISA-N 1 0 340.380 -1.378 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1)[NH+](C)C ZINC001042783815 673487436 /nfs/dbraw/zinc/48/74/36/673487436.db2.gz FSMBARPAGKRIFW-SNVBAGLBSA-N 1 0 340.380 -1.378 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1)[NH+](C)C ZINC001042784125 673487504 /nfs/dbraw/zinc/48/75/04/673487504.db2.gz IZEPHNOFDGPCDB-ZDUSSCGKSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001042784520 673488093 /nfs/dbraw/zinc/48/80/93/673488093.db2.gz PBEFTXVTVJMGGK-UHFFFAOYSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001042784586 673488126 /nfs/dbraw/zinc/48/81/26/673488126.db2.gz PRZRHSCFECLQMS-UHFFFAOYSA-N 1 0 326.397 -1.894 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001042784618 673488041 /nfs/dbraw/zinc/48/80/41/673488041.db2.gz QJTKOLNMEOPRMN-GFCCVEGCSA-N 1 0 338.408 -1.894 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001042784619 673488159 /nfs/dbraw/zinc/48/81/59/673488159.db2.gz QJTKOLNMEOPRMN-LBPRGKRZSA-N 1 0 338.408 -1.894 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001042785025 673488331 /nfs/dbraw/zinc/48/83/31/673488331.db2.gz WYMQHUDHDBRZMD-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001042785295 673488458 /nfs/dbraw/zinc/48/84/58/673488458.db2.gz AKUIGFXGJHDEDI-UHFFFAOYSA-N 1 0 338.412 -1.302 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001042785883 673489099 /nfs/dbraw/zinc/48/90/99/673489099.db2.gz HJFNHDYYXRGUMG-CYBMUJFWSA-N 1 0 338.408 -1.752 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001042785884 673488949 /nfs/dbraw/zinc/48/89/49/673488949.db2.gz HJFNHDYYXRGUMG-ZDUSSCGKSA-N 1 0 338.408 -1.752 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1)[NH+](C)C ZINC001042785922 673489108 /nfs/dbraw/zinc/48/91/08/673489108.db2.gz IZEPHNOFDGPCDB-CYBMUJFWSA-N 1 0 340.424 -1.506 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001042786657 673489383 /nfs/dbraw/zinc/48/93/83/673489383.db2.gz UNOXQRQLBJJYCV-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001042787471 673489606 /nfs/dbraw/zinc/48/96/06/673489606.db2.gz FHATWJFTQYIMOQ-UHFFFAOYSA-N 1 0 340.380 -1.377 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)cc1=O ZINC001042787480 673489598 /nfs/dbraw/zinc/48/95/98/673489598.db2.gz FKPHBAFPYSKQJO-UHFFFAOYSA-N 1 0 326.353 -1.767 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)cc1=O ZINC001042788489 673489924 /nfs/dbraw/zinc/48/99/24/673489924.db2.gz OVNGMQDPLGNMHC-UHFFFAOYSA-N 1 0 340.380 -1.377 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)Cc3cnc[nH]3)C2)cc1=O ZINC001042788506 673489875 /nfs/dbraw/zinc/48/98/75/673489875.db2.gz PACMVNSXVHKUDO-UHFFFAOYSA-N 1 0 335.320 -1.753 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]cn3)C2)cc1=O ZINC001042788820 673489955 /nfs/dbraw/zinc/48/99/55/673489955.db2.gz SMFDOOXLEGTOHY-UHFFFAOYSA-N 1 0 349.347 -1.363 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001042788918 673490281 /nfs/dbraw/zinc/49/02/81/673490281.db2.gz UKXKHZVANNSKMZ-UHFFFAOYSA-N 1 0 338.364 -1.623 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001042789232 673490289 /nfs/dbraw/zinc/49/02/89/673490289.db2.gz XTNRCMRSCJIGME-JTQLQIEISA-N 1 0 338.364 -1.767 20 0 EAADRO Cn1oc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001042789233 673490229 /nfs/dbraw/zinc/49/02/29/673490229.db2.gz XTNRCMRSCJIGME-SNVBAGLBSA-N 1 0 338.364 -1.767 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1)[NH+](C)C ZINC001042814202 673492421 /nfs/dbraw/zinc/49/24/21/673492421.db2.gz HQKXWZKAMWAXLL-CYBMUJFWSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1)[NH+](C)C ZINC001042814208 673492600 /nfs/dbraw/zinc/49/26/00/673492600.db2.gz HQKXWZKAMWAXLL-ZDUSSCGKSA-N 1 0 337.424 -1.008 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042814745 673492569 /nfs/dbraw/zinc/49/25/69/673492569.db2.gz PFWBIJVLJCQBNJ-UHFFFAOYSA-N 1 0 347.419 -1.252 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001042814921 673492784 /nfs/dbraw/zinc/49/27/84/673492784.db2.gz ROBMRXWOTDLZNI-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001042814923 673492869 /nfs/dbraw/zinc/49/28/69/673492869.db2.gz ROBMRXWOTDLZNI-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042815119 673492824 /nfs/dbraw/zinc/49/28/24/673492824.db2.gz YRWKOHIFGIULJZ-CYBMUJFWSA-N 1 0 335.408 -1.254 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042815120 673492758 /nfs/dbraw/zinc/49/27/58/673492758.db2.gz YRWKOHIFGIULJZ-ZDUSSCGKSA-N 1 0 335.408 -1.254 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001042815731 673492859 /nfs/dbraw/zinc/49/28/59/673492859.db2.gz BHYJHMLAPOMMHT-HNNXBMFYSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001042815732 673492781 /nfs/dbraw/zinc/49/27/81/673492781.db2.gz BHYJHMLAPOMMHT-OAHLLOKOSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042815794 673492752 /nfs/dbraw/zinc/49/27/52/673492752.db2.gz CLVIMVIAHXOTTF-UHFFFAOYSA-N 1 0 335.408 -1.252 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001042815870 673492743 /nfs/dbraw/zinc/49/27/43/673492743.db2.gz FBFLOEAZPQHSDL-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042815991 673492803 /nfs/dbraw/zinc/49/28/03/673492803.db2.gz HFYUTMHDMHUNRY-GFCCVEGCSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042815993 673492839 /nfs/dbraw/zinc/49/28/39/673492839.db2.gz HFYUTMHDMHUNRY-LBPRGKRZSA-N 1 0 335.408 -1.396 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3ccnn3C)C2)C1 ZINC001042816244 673493119 /nfs/dbraw/zinc/49/31/19/673493119.db2.gz KMQKMDCVXNSVIQ-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3ccnn3C)C2)C1 ZINC001042816246 673493084 /nfs/dbraw/zinc/49/30/84/673493084.db2.gz KMQKMDCVXNSVIQ-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042816411 673493095 /nfs/dbraw/zinc/49/30/95/673493095.db2.gz NOIXKQQFMXGIJK-GXTWGEPZSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042816412 673493150 /nfs/dbraw/zinc/49/31/50/673493150.db2.gz NOIXKQQFMXGIJK-JSGCOSHPSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042816413 673493066 /nfs/dbraw/zinc/49/30/66/673493066.db2.gz NOIXKQQFMXGIJK-OCCSQVGLSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042816414 673493197 /nfs/dbraw/zinc/49/31/97/673493197.db2.gz NOIXKQQFMXGIJK-TZMCWYRMSA-N 1 0 349.435 -1.150 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001042816418 673493278 /nfs/dbraw/zinc/49/32/78/673493278.db2.gz NUTHCKAUGDMHSB-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001042816599 673493244 /nfs/dbraw/zinc/49/32/44/673493244.db2.gz QLLHQTBFXDPNFJ-TZMCWYRMSA-N 1 0 349.435 -1.008 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042816641 673493058 /nfs/dbraw/zinc/49/30/58/673493058.db2.gz RYCJASBZGLNMME-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1nccc1CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001042816692 673493250 /nfs/dbraw/zinc/49/32/50/673493250.db2.gz SRZIMJIZSLLUSB-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042816808 673493255 /nfs/dbraw/zinc/49/32/55/673493255.db2.gz TWAUUEMPSBJQSN-UHFFFAOYSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042816843 673493220 /nfs/dbraw/zinc/49/32/20/673493220.db2.gz UTRNVOKQOOQCBT-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 ZINC001042817039 673493156 /nfs/dbraw/zinc/49/31/56/673493156.db2.gz YHXHBFOQKFTAOH-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 ZINC001042818404 673493745 /nfs/dbraw/zinc/49/37/45/673493745.db2.gz OCDQTXOUEDURJO-CYBMUJFWSA-N 1 0 333.392 -1.197 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 ZINC001042818406 673493777 /nfs/dbraw/zinc/49/37/77/673493777.db2.gz OCDQTXOUEDURJO-ZDUSSCGKSA-N 1 0 333.392 -1.197 20 0 EAADRO O=C(Cc1cncnc1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042819621 673494062 /nfs/dbraw/zinc/49/40/62/673494062.db2.gz IKAASQLLKQGKKX-UHFFFAOYSA-N 1 0 345.403 -1.196 20 0 EAADRO O=C(Cc1cncnc1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042820860 673494373 /nfs/dbraw/zinc/49/43/73/673494373.db2.gz AVOACKZKRWWGCT-UHFFFAOYSA-N 1 0 333.392 -1.196 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 ZINC001042822070 673494657 /nfs/dbraw/zinc/49/46/57/673494657.db2.gz FLGRKLILXRQRHE-GXTWGEPZSA-N 1 0 347.419 -1.094 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 ZINC001042822071 673494706 /nfs/dbraw/zinc/49/47/06/673494706.db2.gz FLGRKLILXRQRHE-JSGCOSHPSA-N 1 0 347.419 -1.094 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 ZINC001042822072 673494580 /nfs/dbraw/zinc/49/45/80/673494580.db2.gz FLGRKLILXRQRHE-OCCSQVGLSA-N 1 0 347.419 -1.094 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 ZINC001042822073 673494684 /nfs/dbraw/zinc/49/46/84/673494684.db2.gz FLGRKLILXRQRHE-TZMCWYRMSA-N 1 0 347.419 -1.094 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3cncnc3)C2)C1 ZINC001042823239 673494963 /nfs/dbraw/zinc/49/49/63/673494963.db2.gz WLVMGXXQZYFUPB-CYBMUJFWSA-N 1 0 333.392 -1.340 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3cncnc3)C2)C1 ZINC001042823240 673494932 /nfs/dbraw/zinc/49/49/32/673494932.db2.gz WLVMGXXQZYFUPB-ZDUSSCGKSA-N 1 0 333.392 -1.340 20 0 EAADRO CC(C)(O)CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042828674 673496306 /nfs/dbraw/zinc/49/63/06/673496306.db2.gz VLRVXTSKTMAYPI-UHFFFAOYSA-N 1 0 325.409 -1.067 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 ZINC001042828766 673496204 /nfs/dbraw/zinc/49/62/04/673496204.db2.gz YFDJQMYRSKBOSB-UHFFFAOYSA-N 1 0 331.413 -1.585 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCc3ncc[nH]3)C2)C1 ZINC001042830039 673496550 /nfs/dbraw/zinc/49/65/50/673496550.db2.gz OTOYDIOLVHEYIJ-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCc3ncc[nH]3)C2)C1 ZINC001042830042 673496570 /nfs/dbraw/zinc/49/65/70/673496570.db2.gz OTOYDIOLVHEYIJ-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO CO[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001042834158 673497462 /nfs/dbraw/zinc/49/74/62/673497462.db2.gz LBUMFXBUVVPTGQ-VXGBXAGGSA-N 1 0 346.395 -1.065 20 0 EAADRO CO[C@@H]1CN(c2nccn3nnnc23)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001042834163 673497437 /nfs/dbraw/zinc/49/74/37/673497437.db2.gz LNDWXKJRSJSMMI-VXGBXAGGSA-N 1 0 346.395 -1.065 20 0 EAADRO CO[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001042835407 673497700 /nfs/dbraw/zinc/49/77/00/673497700.db2.gz FZULXMJUDHCWIO-IJLUTSLNSA-N 1 0 346.395 -1.209 20 0 EAADRO CO[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001042835408 673497668 /nfs/dbraw/zinc/49/76/68/673497668.db2.gz FZULXMJUDHCWIO-QJPTWQEYSA-N 1 0 346.395 -1.209 20 0 EAADRO CO[C@@H]1CN(c2nccn3nnnc23)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001042836538 673497728 /nfs/dbraw/zinc/49/77/28/673497728.db2.gz VCTNONWUQLQUHS-IJLUTSLNSA-N 1 0 346.395 -1.209 20 0 EAADRO CO[C@@H]1CN(c2nccn3nnnc23)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001042836541 673497590 /nfs/dbraw/zinc/49/75/90/673497590.db2.gz VCTNONWUQLQUHS-QJPTWQEYSA-N 1 0 346.395 -1.209 20 0 EAADRO CO[C@H](C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001042842135 673498890 /nfs/dbraw/zinc/49/88/90/673498890.db2.gz YOENAJYWUOWSIU-AWEZNQCLSA-N 1 0 343.424 -1.321 20 0 EAADRO CO[C@@H](C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001042842136 673498752 /nfs/dbraw/zinc/49/87/52/673498752.db2.gz YOENAJYWUOWSIU-CQSZACIVSA-N 1 0 343.424 -1.321 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042847458 673499347 /nfs/dbraw/zinc/49/93/47/673499347.db2.gz CXSQQUYOKHCXFT-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001042847899 673499772 /nfs/dbraw/zinc/49/97/72/673499772.db2.gz KSIIDFCEMLSBOW-GFCCVEGCSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001042847901 673499783 /nfs/dbraw/zinc/49/97/83/673499783.db2.gz KSIIDFCEMLSBOW-LBPRGKRZSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001042847938 673499645 /nfs/dbraw/zinc/49/96/45/673499645.db2.gz LRPKEUFTDCTIIB-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1)[NH+](C)C ZINC001042848016 673499674 /nfs/dbraw/zinc/49/96/74/673499674.db2.gz NNNAPWLPUHBGLW-GFCCVEGCSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1)[NH+](C)C ZINC001042848017 673499719 /nfs/dbraw/zinc/49/97/19/673499719.db2.gz NNNAPWLPUHBGLW-LBPRGKRZSA-N 1 0 338.412 -1.296 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001042848328 673499714 /nfs/dbraw/zinc/49/97/14/673499714.db2.gz RBGVCQGPORFCQH-HNNXBMFYSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cncc1CCC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042848540 673499727 /nfs/dbraw/zinc/49/97/27/673499727.db2.gz ULFXYARQMXEIBM-UHFFFAOYSA-N 1 0 347.379 -1.516 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001042848573 673499663 /nfs/dbraw/zinc/49/96/63/673499663.db2.gz VJEPLSWVRVXUKU-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042848574 673499641 /nfs/dbraw/zinc/49/96/41/673499641.db2.gz VPDUMPANFWWDIX-UHFFFAOYSA-N 1 0 333.352 -1.608 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042848595 673500025 /nfs/dbraw/zinc/50/00/25/673500025.db2.gz WFYWYXFUFFVCLS-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042848597 673499965 /nfs/dbraw/zinc/49/99/65/673499965.db2.gz WFYWYXFUFFVCLS-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001042848601 673499947 /nfs/dbraw/zinc/49/99/47/673499947.db2.gz WISWFWAYLQJLOO-UHFFFAOYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001042848640 673499913 /nfs/dbraw/zinc/49/99/13/673499913.db2.gz WSDDJKLFMGAGHM-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042849040 673500215 /nfs/dbraw/zinc/50/02/15/673500215.db2.gz IDGDYZQTNGFFKT-UHFFFAOYSA-N 1 0 334.380 -1.786 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001042849074 673500252 /nfs/dbraw/zinc/50/02/52/673500252.db2.gz JASKLGNONOLKPX-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001042849076 673500320 /nfs/dbraw/zinc/50/03/20/673500320.db2.gz JASKLGNONOLKPX-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001042850417 673500521 /nfs/dbraw/zinc/50/05/21/673500521.db2.gz VRSAULKJXGEFCM-UHFFFAOYSA-N 1 0 340.384 -2.304 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001042850529 673500472 /nfs/dbraw/zinc/50/04/72/673500472.db2.gz ZYZKLZPHQIICNH-UHFFFAOYSA-N 1 0 348.407 -1.253 20 0 EAADRO CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001042852345 673500889 /nfs/dbraw/zinc/50/08/89/673500889.db2.gz XNLGYIWSTOMLDL-GFCCVEGCSA-N 1 0 336.392 -1.274 20 0 EAADRO CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001042852347 673500769 /nfs/dbraw/zinc/50/07/69/673500769.db2.gz XNLGYIWSTOMLDL-LBPRGKRZSA-N 1 0 336.392 -1.274 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cnnn3C)C2)C1 ZINC001042853092 673500836 /nfs/dbraw/zinc/50/08/36/673500836.db2.gz BMLNXOKRUITDFA-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cnnn3C)C2)C1 ZINC001042853095 673500877 /nfs/dbraw/zinc/50/08/77/673500877.db2.gz BMLNXOKRUITDFA-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042854102 673501122 /nfs/dbraw/zinc/50/11/22/673501122.db2.gz SHOWWSFYKRRDTP-UHFFFAOYSA-N 1 0 338.412 -1.152 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cnnn3C)C2)CC[N@@H+]1C ZINC001042854238 673501492 /nfs/dbraw/zinc/50/14/92/673501492.db2.gz URRIZZHXUKELQZ-GHMZBOCLSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001042854509 673501322 /nfs/dbraw/zinc/50/13/22/673501322.db2.gz XXWWLXPJZYBYDU-GFCCVEGCSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001042854510 673501379 /nfs/dbraw/zinc/50/13/79/673501379.db2.gz XXWWLXPJZYBYDU-LBPRGKRZSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042854581 673501486 /nfs/dbraw/zinc/50/14/86/673501486.db2.gz ZUXGGXNRJGTYQM-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042854583 673501390 /nfs/dbraw/zinc/50/13/90/673501390.db2.gz ZUXGGXNRJGTYQM-MNOVXSKESA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042854585 673501498 /nfs/dbraw/zinc/50/14/98/673501498.db2.gz ZUXGGXNRJGTYQM-QWRGUYRKSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042854587 673501315 /nfs/dbraw/zinc/50/13/15/673501315.db2.gz ZUXGGXNRJGTYQM-WDEREUQCSA-N 1 0 336.396 -1.684 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001042855438 673501480 /nfs/dbraw/zinc/50/14/80/673501480.db2.gz AMGVNJSLUJBNAX-UHFFFAOYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001042855747 673501931 /nfs/dbraw/zinc/50/19/31/673501931.db2.gz GEIPHABBTQSNLS-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001042855749 673501988 /nfs/dbraw/zinc/50/19/88/673501988.db2.gz GEIPHABBTQSNLS-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042856330 673502323 /nfs/dbraw/zinc/50/23/23/673502323.db2.gz LCSWWQWHMCZCBF-JTQLQIEISA-N 1 0 344.368 -2.638 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042856332 673502338 /nfs/dbraw/zinc/50/23/38/673502338.db2.gz LCSWWQWHMCZCBF-SNVBAGLBSA-N 1 0 344.368 -2.638 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001042856606 673502605 /nfs/dbraw/zinc/50/26/05/673502605.db2.gz NMYKBUQKVBAYHW-GHMZBOCLSA-N 1 0 340.380 -1.874 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001042856607 673502479 /nfs/dbraw/zinc/50/24/79/673502479.db2.gz NMYKBUQKVBAYHW-MNOVXSKESA-N 1 0 340.380 -1.874 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001042856608 673502661 /nfs/dbraw/zinc/50/26/61/673502661.db2.gz NMYKBUQKVBAYHW-QWRGUYRKSA-N 1 0 340.380 -1.874 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001042856609 673502571 /nfs/dbraw/zinc/50/25/71/673502571.db2.gz NMYKBUQKVBAYHW-WDEREUQCSA-N 1 0 340.380 -1.874 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042856617 673502544 /nfs/dbraw/zinc/50/25/44/673502544.db2.gz NQMUTRTUMZMLMU-NXEZZACHSA-N 1 0 326.353 -2.122 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042856618 673502536 /nfs/dbraw/zinc/50/25/36/673502536.db2.gz NQMUTRTUMZMLMU-UWVGGRQHSA-N 1 0 326.353 -2.122 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042856619 673502550 /nfs/dbraw/zinc/50/25/50/673502550.db2.gz NQMUTRTUMZMLMU-VHSXEESVSA-N 1 0 326.353 -2.122 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042856620 673502509 /nfs/dbraw/zinc/50/25/09/673502509.db2.gz NQMUTRTUMZMLMU-ZJUUUORDSA-N 1 0 326.353 -2.122 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042857331 673503149 /nfs/dbraw/zinc/50/31/49/673503149.db2.gz BOLRGELPMKFHTJ-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042857333 673503206 /nfs/dbraw/zinc/50/32/06/673503206.db2.gz BOLRGELPMKFHTJ-NSHDSACASA-N 1 0 342.396 -1.484 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042857396 673503091 /nfs/dbraw/zinc/50/30/91/673503091.db2.gz SDZKXFIRZUXSPC-NXEZZACHSA-N 1 0 328.369 -1.876 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042857399 673503222 /nfs/dbraw/zinc/50/32/22/673503222.db2.gz SDZKXFIRZUXSPC-UWVGGRQHSA-N 1 0 328.369 -1.876 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042857401 673503235 /nfs/dbraw/zinc/50/32/35/673503235.db2.gz SDZKXFIRZUXSPC-VHSXEESVSA-N 1 0 328.369 -1.876 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042857403 673503211 /nfs/dbraw/zinc/50/32/11/673503211.db2.gz SDZKXFIRZUXSPC-ZJUUUORDSA-N 1 0 328.369 -1.876 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042857649 673503227 /nfs/dbraw/zinc/50/32/27/673503227.db2.gz BWEXSXFAKONVES-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042857651 673503233 /nfs/dbraw/zinc/50/32/33/673503233.db2.gz BWEXSXFAKONVES-NSHDSACASA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC001042857770 673503459 /nfs/dbraw/zinc/50/34/59/673503459.db2.gz CLWFLXYBTJYPQV-JTQLQIEISA-N 1 0 340.380 -1.874 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC001042857772 673503481 /nfs/dbraw/zinc/50/34/81/673503481.db2.gz CLWFLXYBTJYPQV-SNVBAGLBSA-N 1 0 340.380 -1.874 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1COC(=O)N1 ZINC001042858349 673503881 /nfs/dbraw/zinc/50/38/81/673503881.db2.gz ZVWAGGBYHLHAGS-JTQLQIEISA-N 1 0 338.364 -2.120 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1COC(=O)N1 ZINC001042858350 673503995 /nfs/dbraw/zinc/50/39/95/673503995.db2.gz ZVWAGGBYHLHAGS-SNVBAGLBSA-N 1 0 338.364 -2.120 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042859235 673504213 /nfs/dbraw/zinc/50/42/13/673504213.db2.gz KXJCNPNKUBGVCP-GHMZBOCLSA-N 1 0 340.380 -1.731 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042859236 673504152 /nfs/dbraw/zinc/50/41/52/673504152.db2.gz KXJCNPNKUBGVCP-MNOVXSKESA-N 1 0 340.380 -1.731 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042859239 673504201 /nfs/dbraw/zinc/50/42/01/673504201.db2.gz KXJCNPNKUBGVCP-QWRGUYRKSA-N 1 0 340.380 -1.731 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042859241 673504185 /nfs/dbraw/zinc/50/41/85/673504185.db2.gz KXJCNPNKUBGVCP-WDEREUQCSA-N 1 0 340.380 -1.731 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042859308 673504204 /nfs/dbraw/zinc/50/42/04/673504204.db2.gz LPZGXTMYRWFGGZ-GHMZBOCLSA-N 1 0 342.396 -1.630 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042859310 673504177 /nfs/dbraw/zinc/50/41/77/673504177.db2.gz LPZGXTMYRWFGGZ-MNOVXSKESA-N 1 0 342.396 -1.630 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042859312 673504130 /nfs/dbraw/zinc/50/41/30/673504130.db2.gz LPZGXTMYRWFGGZ-QWRGUYRKSA-N 1 0 342.396 -1.630 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001042859313 673504180 /nfs/dbraw/zinc/50/41/80/673504180.db2.gz LPZGXTMYRWFGGZ-WDEREUQCSA-N 1 0 342.396 -1.630 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042859365 673504142 /nfs/dbraw/zinc/50/41/42/673504142.db2.gz MRLUPHXSPJQKCQ-JTQLQIEISA-N 1 0 328.369 -1.874 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042859366 673504173 /nfs/dbraw/zinc/50/41/73/673504173.db2.gz MRLUPHXSPJQKCQ-SNVBAGLBSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC001042859656 673504162 /nfs/dbraw/zinc/50/41/62/673504162.db2.gz PGHCDOHLBRFQOP-LLVKDONJSA-N 1 0 340.380 -1.874 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC001042859657 673504170 /nfs/dbraw/zinc/50/41/70/673504170.db2.gz PGHCDOHLBRFQOP-NSHDSACASA-N 1 0 340.380 -1.874 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042859708 673504157 /nfs/dbraw/zinc/50/41/57/673504157.db2.gz PTTZOEHAQUBCEV-JTQLQIEISA-N 1 0 328.369 -1.874 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042859710 673504133 /nfs/dbraw/zinc/50/41/33/673504133.db2.gz PTTZOEHAQUBCEV-SNVBAGLBSA-N 1 0 328.369 -1.874 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042860003 673504430 /nfs/dbraw/zinc/50/44/30/673504430.db2.gz SLUJPJUGNUVUFL-JTQLQIEISA-N 1 0 328.369 -1.874 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042860005 673504445 /nfs/dbraw/zinc/50/44/45/673504445.db2.gz SLUJPJUGNUVUFL-SNVBAGLBSA-N 1 0 328.369 -1.874 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042860585 673504511 /nfs/dbraw/zinc/50/45/11/673504511.db2.gz CHINRHPVQOXNIJ-JTQLQIEISA-N 1 0 328.369 -1.876 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042860587 673504425 /nfs/dbraw/zinc/50/44/25/673504425.db2.gz CHINRHPVQOXNIJ-SNVBAGLBSA-N 1 0 328.369 -1.876 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042861251 673504707 /nfs/dbraw/zinc/50/47/07/673504707.db2.gz DIACLQPBSIGPNE-JTQLQIEISA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042861252 673504746 /nfs/dbraw/zinc/50/47/46/673504746.db2.gz DIACLQPBSIGPNE-SNVBAGLBSA-N 1 0 328.369 -1.874 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042861348 673504760 /nfs/dbraw/zinc/50/47/60/673504760.db2.gz GEEIGFNGFHWQCZ-JTQLQIEISA-N 1 0 326.353 -2.120 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042861349 673504703 /nfs/dbraw/zinc/50/47/03/673504703.db2.gz GEEIGFNGFHWQCZ-SNVBAGLBSA-N 1 0 326.353 -2.120 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001042861666 673505050 /nfs/dbraw/zinc/50/50/50/673505050.db2.gz HHNDWMCNUNVSAX-GHMZBOCLSA-N 1 0 340.380 -1.874 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001042861671 673504933 /nfs/dbraw/zinc/50/49/33/673504933.db2.gz HHNDWMCNUNVSAX-MNOVXSKESA-N 1 0 340.380 -1.874 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001042861674 673505066 /nfs/dbraw/zinc/50/50/66/673505066.db2.gz HHNDWMCNUNVSAX-QWRGUYRKSA-N 1 0 340.380 -1.874 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001042861677 673505043 /nfs/dbraw/zinc/50/50/43/673505043.db2.gz HHNDWMCNUNVSAX-WDEREUQCSA-N 1 0 340.380 -1.874 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)CC[N@@H+]1C ZINC001042861712 673504976 /nfs/dbraw/zinc/50/49/76/673504976.db2.gz HLMLUDORNOEAJW-GMTAPVOTSA-N 1 0 340.380 -1.876 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)CC[N@@H+]1C ZINC001042861714 673505053 /nfs/dbraw/zinc/50/50/53/673505053.db2.gz HLMLUDORNOEAJW-MXWKQRLJSA-N 1 0 340.380 -1.876 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001042862313 673505028 /nfs/dbraw/zinc/50/50/28/673505028.db2.gz JZPVPOVRHACXKE-NXEZZACHSA-N 1 0 326.353 -2.264 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001042862314 673505007 /nfs/dbraw/zinc/50/50/07/673505007.db2.gz JZPVPOVRHACXKE-UWVGGRQHSA-N 1 0 326.353 -2.264 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001042862315 673505071 /nfs/dbraw/zinc/50/50/71/673505071.db2.gz JZPVPOVRHACXKE-VHSXEESVSA-N 1 0 326.353 -2.264 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001042862316 673505057 /nfs/dbraw/zinc/50/50/57/673505057.db2.gz JZPVPOVRHACXKE-ZJUUUORDSA-N 1 0 326.353 -2.264 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)CCC1 ZINC001042862721 673505241 /nfs/dbraw/zinc/50/52/41/673505241.db2.gz MUZZJMLROPENMW-JTQLQIEISA-N 1 0 340.380 -1.731 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)CCC1 ZINC001042862722 673505344 /nfs/dbraw/zinc/50/53/44/673505344.db2.gz MUZZJMLROPENMW-SNVBAGLBSA-N 1 0 340.380 -1.731 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001042863124 673505249 /nfs/dbraw/zinc/50/52/49/673505249.db2.gz PDTXSFQRCGOOSS-GHMZBOCLSA-N 1 0 340.380 -1.876 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001042863127 673505270 /nfs/dbraw/zinc/50/52/70/673505270.db2.gz PDTXSFQRCGOOSS-MNOVXSKESA-N 1 0 340.380 -1.876 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001042863129 673505302 /nfs/dbraw/zinc/50/53/02/673505302.db2.gz PDTXSFQRCGOOSS-QWRGUYRKSA-N 1 0 340.380 -1.876 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001042863130 673505334 /nfs/dbraw/zinc/50/53/34/673505334.db2.gz PDTXSFQRCGOOSS-WDEREUQCSA-N 1 0 340.380 -1.876 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042863289 673505366 /nfs/dbraw/zinc/50/53/66/673505366.db2.gz QGBRIOJWXRGWCY-JTQLQIEISA-N 1 0 342.396 -1.485 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042863292 673505341 /nfs/dbraw/zinc/50/53/41/673505341.db2.gz QGBRIOJWXRGWCY-SNVBAGLBSA-N 1 0 342.396 -1.485 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042863830 673505518 /nfs/dbraw/zinc/50/55/18/673505518.db2.gz URPQTDGFVIOSPB-GHMZBOCLSA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042863831 673505693 /nfs/dbraw/zinc/50/56/93/673505693.db2.gz URPQTDGFVIOSPB-MNOVXSKESA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001042863832 673505610 /nfs/dbraw/zinc/50/56/10/673505610.db2.gz URPQTDGFVIOSPB-QWRGUYRKSA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001042863833 673505652 /nfs/dbraw/zinc/50/56/52/673505652.db2.gz URPQTDGFVIOSPB-WDEREUQCSA-N 1 0 340.380 -1.731 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1)C1CCC1 ZINC001042864401 673505897 /nfs/dbraw/zinc/50/58/97/673505897.db2.gz ZVBRGCORKPRBSV-LLVKDONJSA-N 1 0 340.380 -1.731 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1)C1CCC1 ZINC001042864402 673505911 /nfs/dbraw/zinc/50/59/11/673505911.db2.gz ZVBRGCORKPRBSV-NSHDSACASA-N 1 0 340.380 -1.731 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042879636 673506865 /nfs/dbraw/zinc/50/68/65/673506865.db2.gz SCBDDTUJJCVWFZ-GFCCVEGCSA-N 1 0 325.409 -1.211 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001042879818 673506796 /nfs/dbraw/zinc/50/67/96/673506796.db2.gz XLDCCEWHNMJSHL-CYBMUJFWSA-N 1 0 331.413 -1.729 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001042885654 673508067 /nfs/dbraw/zinc/50/80/67/673508067.db2.gz QOHGDXZOFYVLEL-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001042885983 673508121 /nfs/dbraw/zinc/50/81/21/673508121.db2.gz WPBBGZVGYICSGP-LLVKDONJSA-N 1 0 337.380 -1.296 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001042885985 673508002 /nfs/dbraw/zinc/50/80/02/673508002.db2.gz WPBBGZVGYICSGP-NSHDSACASA-N 1 0 337.380 -1.296 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001042886030 673508057 /nfs/dbraw/zinc/50/80/57/673508057.db2.gz XSJOMTBHJQXUGC-GFCCVEGCSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001042886032 673508011 /nfs/dbraw/zinc/50/80/11/673508011.db2.gz XSJOMTBHJQXUGC-LBPRGKRZSA-N 1 0 336.396 -1.398 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042886621 673508436 /nfs/dbraw/zinc/50/84/36/673508436.db2.gz GMJGVBZWDRKMES-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001042886835 673508710 /nfs/dbraw/zinc/50/87/10/673508710.db2.gz JYYLMZDTZGMWDC-UHFFFAOYSA-N 1 0 334.380 -1.786 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001042886865 669801029 /nfs/dbraw/zinc/80/10/29/669801029.db2.gz KZYCCXNRHATFQT-UHFFFAOYSA-N 1 0 340.384 -2.304 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001042886906 673508665 /nfs/dbraw/zinc/50/86/65/673508665.db2.gz MAIXVXFTOOQGFK-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)nn1 ZINC001042886916 673508626 /nfs/dbraw/zinc/50/86/26/673508626.db2.gz MMLNZSMFQVFGMN-HNNXBMFYSA-N 1 0 348.407 -1.396 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001042887254 673508678 /nfs/dbraw/zinc/50/86/78/673508678.db2.gz OUQPCOUUMGOPKF-GFCCVEGCSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001042887256 673508543 /nfs/dbraw/zinc/50/85/43/673508543.db2.gz OUQPCOUUMGOPKF-LBPRGKRZSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001042887595 673509015 /nfs/dbraw/zinc/50/90/15/673509015.db2.gz QSWXGLZITQKTPM-UHFFFAOYSA-N 1 0 348.407 -1.253 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2nnc(C)o2)C1)[NH+](C)C ZINC001042887686 673508896 /nfs/dbraw/zinc/50/88/96/673508896.db2.gz UNUKIOHHYSVXIL-LLVKDONJSA-N 1 0 339.396 -1.050 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2nnc(C)o2)C1)[NH+](C)C ZINC001042887688 673508946 /nfs/dbraw/zinc/50/89/46/673508946.db2.gz UNUKIOHHYSVXIL-NSHDSACASA-N 1 0 339.396 -1.050 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001042887967 673509055 /nfs/dbraw/zinc/50/90/55/673509055.db2.gz VQLNRAYMYNOTMC-GFCCVEGCSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001042887968 673508840 /nfs/dbraw/zinc/50/88/40/673508840.db2.gz VQLNRAYMYNOTMC-LBPRGKRZSA-N 1 0 338.412 -1.296 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001042888046 673509280 /nfs/dbraw/zinc/50/92/80/673509280.db2.gz YKVOORJMKCOVNZ-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001042888047 673509192 /nfs/dbraw/zinc/50/91/92/673509192.db2.gz YKVOORJMKCOVNZ-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001042888110 673509319 /nfs/dbraw/zinc/50/93/19/673509319.db2.gz ZCHSRHTYQFCYQQ-UHFFFAOYSA-N 1 0 349.391 -1.294 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001042888139 673509268 /nfs/dbraw/zinc/50/92/68/673509268.db2.gz ZKOGPOXGCRSVJC-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042888408 673509185 /nfs/dbraw/zinc/50/91/85/673509185.db2.gz CPIGNJJWHOKUMS-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042888409 673509309 /nfs/dbraw/zinc/50/93/09/673509309.db2.gz CPIGNJJWHOKUMS-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cn(C)nn3)C2)C1 ZINC001042888722 673509484 /nfs/dbraw/zinc/50/94/84/673509484.db2.gz GTBNCVSJADPAHV-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cn(C)nn3)C2)C1 ZINC001042888724 673509533 /nfs/dbraw/zinc/50/95/33/673509533.db2.gz GTBNCVSJADPAHV-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042888987 673509519 /nfs/dbraw/zinc/50/95/19/673509519.db2.gz IHCWVOGAOHBQJF-UHFFFAOYSA-N 1 0 338.412 -1.152 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001042889120 673509498 /nfs/dbraw/zinc/50/94/98/673509498.db2.gz LEWKAGCQHOLFAU-UHFFFAOYSA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cn(C)nn3)C2)CC[N@@H+]1C ZINC001042889402 673509672 /nfs/dbraw/zinc/50/96/72/673509672.db2.gz LRWSTYZVRKFAIC-GHMZBOCLSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042889553 673509478 /nfs/dbraw/zinc/50/94/78/673509478.db2.gz OEQWOIPPPIOHCX-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042889557 673509646 /nfs/dbraw/zinc/50/96/46/673509646.db2.gz OEQWOIPPPIOHCX-MNOVXSKESA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042889559 673509615 /nfs/dbraw/zinc/50/96/15/673509615.db2.gz OEQWOIPPPIOHCX-QWRGUYRKSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042889562 673509596 /nfs/dbraw/zinc/50/95/96/673509596.db2.gz OEQWOIPPPIOHCX-WDEREUQCSA-N 1 0 336.396 -1.684 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001042889631 673509652 /nfs/dbraw/zinc/50/96/52/673509652.db2.gz PEBGKMANVWPRFG-GFCCVEGCSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001042889634 673509463 /nfs/dbraw/zinc/50/94/63/673509463.db2.gz PEBGKMANVWPRFG-LBPRGKRZSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001042889839 673509918 /nfs/dbraw/zinc/50/99/18/673509918.db2.gz RCBZZSUXDYAMNP-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/51/07/44/673510744.db2.gz GGBLGNCNCSIXBY-UHFFFAOYSA-N 1 0 348.407 -1.253 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC001042893061 673510737 /nfs/dbraw/zinc/51/07/37/673510737.db2.gz GHFZXZIFCCAMPV-UHFFFAOYSA-N 1 0 337.380 -1.294 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001042893113 673510851 /nfs/dbraw/zinc/51/08/51/673510851.db2.gz GYMMAMJRMZSPQZ-LLVKDONJSA-N 1 0 337.380 -1.438 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001042893116 673510763 /nfs/dbraw/zinc/51/07/63/673510763.db2.gz GYMMAMJRMZSPQZ-NSHDSACASA-N 1 0 337.380 -1.438 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001042893206 673510746 /nfs/dbraw/zinc/51/07/46/673510746.db2.gz IPLQPNLCMGVBMW-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001042893208 673510731 /nfs/dbraw/zinc/51/07/31/673510731.db2.gz IPLQPNLCMGVBMW-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001042893343 673510753 /nfs/dbraw/zinc/51/07/53/673510753.db2.gz LDUBWBJEXGTOTK-UHFFFAOYSA-N 1 0 339.396 -1.050 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001042893349 673510787 /nfs/dbraw/zinc/51/07/87/673510787.db2.gz LHPHWDPRLZCDLM-UHFFFAOYSA-N 1 0 340.384 -2.304 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001042894235 673511357 /nfs/dbraw/zinc/51/13/57/673511357.db2.gz YMCBYSYHHMLIRS-UHFFFAOYSA-N 1 0 334.380 -1.786 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ncn(C)n3)C2)CC[N@@H+]1C ZINC001042894912 673511381 /nfs/dbraw/zinc/51/13/81/673511381.db2.gz CBXPITPECHXFJF-GHMZBOCLSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001042895116 673511601 /nfs/dbraw/zinc/51/16/01/673511601.db2.gz FVKRHIXAWZAWGS-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001042895191 673511610 /nfs/dbraw/zinc/51/16/10/673511610.db2.gz HXQSXTWZXFYGAK-LLVKDONJSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001042895193 673511694 /nfs/dbraw/zinc/51/16/94/673511694.db2.gz HXQSXTWZXFYGAK-NSHDSACASA-N 1 0 338.412 -1.296 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001042895197 673511596 /nfs/dbraw/zinc/51/15/96/673511596.db2.gz HZCNJCZFGTZPTG-UHFFFAOYSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001042895202 673511735 /nfs/dbraw/zinc/51/17/35/673511735.db2.gz IHWSMTXGDREHNJ-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)n1 ZINC001042895516 673511706 /nfs/dbraw/zinc/51/17/06/673511706.db2.gz MDYKGBXCCMESQS-HNNXBMFYSA-N 1 0 348.407 -1.396 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042895599 673511589 /nfs/dbraw/zinc/51/15/89/673511589.db2.gz MVSUULAYSJYVND-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042895602 673511593 /nfs/dbraw/zinc/51/15/93/673511593.db2.gz MVSUULAYSJYVND-MNOVXSKESA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042895606 673511627 /nfs/dbraw/zinc/51/16/27/673511627.db2.gz MVSUULAYSJYVND-QWRGUYRKSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042895611 673511964 /nfs/dbraw/zinc/51/19/64/673511964.db2.gz MVSUULAYSJYVND-WDEREUQCSA-N 1 0 336.396 -1.684 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042896341 673512227 /nfs/dbraw/zinc/51/22/27/673512227.db2.gz SQBCEAAFMWEFRN-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001042896581 673512215 /nfs/dbraw/zinc/51/22/15/673512215.db2.gz UFORVEQXVUBRMA-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3ncn(C)n3)C2)C1 ZINC001042896600 673512287 /nfs/dbraw/zinc/51/22/87/673512287.db2.gz UNONDUJQQMUXMA-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3ncn(C)n3)C2)C1 ZINC001042896602 673512306 /nfs/dbraw/zinc/51/23/06/673512306.db2.gz UNONDUJQQMUXMA-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001042896643 673512153 /nfs/dbraw/zinc/51/21/53/673512153.db2.gz VOHKAHVVPSKKKV-LLVKDONJSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001042896644 673512271 /nfs/dbraw/zinc/51/22/71/673512271.db2.gz VOHKAHVVPSKKKV-NSHDSACASA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042896653 673512243 /nfs/dbraw/zinc/51/22/43/673512243.db2.gz VWSKFCCLAINHEW-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042896654 673512187 /nfs/dbraw/zinc/51/21/87/673512187.db2.gz VWSKFCCLAINHEW-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001042896662 673512278 /nfs/dbraw/zinc/51/22/78/673512278.db2.gz WDKOBRZJBFQMES-GFCCVEGCSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001042896663 673512218 /nfs/dbraw/zinc/51/22/18/673512218.db2.gz WDKOBRZJBFQMES-LBPRGKRZSA-N 1 0 348.407 -1.540 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042896673 673512173 /nfs/dbraw/zinc/51/21/73/673512173.db2.gz WKHRQRRWONEIMH-UHFFFAOYSA-N 1 0 338.412 -1.152 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001042896899 673512497 /nfs/dbraw/zinc/51/24/97/673512497.db2.gz BQYROWZHKKERKA-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001042896901 673512489 /nfs/dbraw/zinc/51/24/89/673512489.db2.gz BQYROWZHKKERKA-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCNC(=O)NC)C1 ZINC001042897250 673512827 /nfs/dbraw/zinc/51/28/27/673512827.db2.gz DWKZJNVOWKFJBZ-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC001042897333 673512882 /nfs/dbraw/zinc/51/28/82/673512882.db2.gz GYDYCTOBNSSTEE-UHFFFAOYSA-N 1 0 336.396 -1.398 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001042897531 673512799 /nfs/dbraw/zinc/51/27/99/673512799.db2.gz JMNMLYVXQKUBDZ-UHFFFAOYSA-N 1 0 343.428 -1.665 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042897921 673513036 /nfs/dbraw/zinc/51/30/36/673513036.db2.gz OWWKJTXRAUIURL-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042897923 673513133 /nfs/dbraw/zinc/51/31/33/673513133.db2.gz OWWKJTXRAUIURL-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCNC(=O)NC)C1)[NH+](C)C ZINC001042898318 673513423 /nfs/dbraw/zinc/51/34/23/673513423.db2.gz RWQTVDCQXZCIEH-LLVKDONJSA-N 1 0 343.428 -1.665 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCNC(=O)NC)C1)[NH+](C)C ZINC001042898320 673513396 /nfs/dbraw/zinc/51/33/96/673513396.db2.gz RWQTVDCQXZCIEH-NSHDSACASA-N 1 0 343.428 -1.665 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CCNC(=O)NC)C1 ZINC001042898693 673513464 /nfs/dbraw/zinc/51/34/64/673513464.db2.gz XZMVVPRILCQSCA-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042899041 673513728 /nfs/dbraw/zinc/51/37/28/673513728.db2.gz CDMMEZGMKDCJHP-LLVKDONJSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042899044 673513811 /nfs/dbraw/zinc/51/38/11/673513811.db2.gz CDMMEZGMKDCJHP-NSHDSACASA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001042899388 673513750 /nfs/dbraw/zinc/51/37/50/673513750.db2.gz HDGBQLVONKKURY-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042899649 673514049 /nfs/dbraw/zinc/51/40/49/673514049.db2.gz JVRAHUXTYOUKSV-UHFFFAOYSA-N 1 0 341.412 -1.909 20 0 EAADRO CNC(=O)NCCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001042900822 673514026 /nfs/dbraw/zinc/51/40/26/673514026.db2.gz ZKFXIWGNJUVYNC-UHFFFAOYSA-N 1 0 329.401 -2.053 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCNC(=O)NC)C1 ZINC001042900848 673514062 /nfs/dbraw/zinc/51/40/62/673514062.db2.gz ZZMPTBJGLQSYLN-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001042902265 673514229 /nfs/dbraw/zinc/51/42/29/673514229.db2.gz FIALRDJHERATDS-UHFFFAOYSA-N 1 0 348.407 -1.303 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001042902380 673514220 /nfs/dbraw/zinc/51/42/20/673514220.db2.gz HSBLBOQWJDDOJX-UHFFFAOYSA-N 1 0 336.396 -1.303 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001042902565 673514246 /nfs/dbraw/zinc/51/42/46/673514246.db2.gz KDMKFTYPKOCROH-UHFFFAOYSA-N 1 0 338.412 -1.059 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001042902786 673514382 /nfs/dbraw/zinc/51/43/82/673514382.db2.gz NAYGHEBWRUYPJG-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)C[NH+](CC)CC)C2)n1 ZINC001042903213 673514677 /nfs/dbraw/zinc/51/46/77/673514677.db2.gz SPHQVOUVPLIQEM-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001042903236 673514733 /nfs/dbraw/zinc/51/47/33/673514733.db2.gz TVUFXGQJLFHGIQ-LLVKDONJSA-N 1 0 336.396 -1.447 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001042903237 673514621 /nfs/dbraw/zinc/51/46/21/673514621.db2.gz TVUFXGQJLFHGIQ-NSHDSACASA-N 1 0 336.396 -1.447 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1)[NH+](C)C ZINC001042903241 673514695 /nfs/dbraw/zinc/51/46/95/673514695.db2.gz TZVHDIHNRYDUEF-GFCCVEGCSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1)[NH+](C)C ZINC001042903242 673514637 /nfs/dbraw/zinc/51/46/37/673514637.db2.gz TZVHDIHNRYDUEF-LBPRGKRZSA-N 1 0 338.412 -1.059 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)n1 ZINC001042903485 673514744 /nfs/dbraw/zinc/51/47/44/673514744.db2.gz WTFPUHXHBVOLPR-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001042903514 673514681 /nfs/dbraw/zinc/51/46/81/673514681.db2.gz XKVMDGWURGMEFT-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001042903630 673514796 /nfs/dbraw/zinc/51/47/96/673514796.db2.gz ZHKLRDKJYULZJS-GFCCVEGCSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001042903631 673514628 /nfs/dbraw/zinc/51/46/28/673514628.db2.gz ZHKLRDKJYULZJS-LBPRGKRZSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042904594 673514943 /nfs/dbraw/zinc/51/49/43/673514943.db2.gz GHILHCPZLZEXTL-LLVKDONJSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042904596 673515111 /nfs/dbraw/zinc/51/51/11/673515111.db2.gz GHILHCPZLZEXTL-NSHDSACASA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001042905699 673515071 /nfs/dbraw/zinc/51/50/71/673515071.db2.gz BJELHGNWZCCDCK-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1 ZINC001042906156 673515483 /nfs/dbraw/zinc/51/54/83/673515483.db2.gz JLDSBOIXMABWQW-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001042906215 673515311 /nfs/dbraw/zinc/51/53/11/673515311.db2.gz KKVNVYXXYBUHNK-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1)[NH+](C)C ZINC001042906442 673515494 /nfs/dbraw/zinc/51/54/94/673515494.db2.gz OMMARAPDVDDUJO-LLVKDONJSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1)[NH+](C)C ZINC001042906444 673515322 /nfs/dbraw/zinc/51/53/22/673515322.db2.gz OMMARAPDVDDUJO-NSHDSACASA-N 1 0 338.412 -1.059 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001042907125 673515389 /nfs/dbraw/zinc/51/53/89/673515389.db2.gz VEVXWNAWPDCCRD-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042907236 673515383 /nfs/dbraw/zinc/51/53/83/673515383.db2.gz WAGKKYVBWGITPD-UHFFFAOYSA-N 1 0 348.407 -1.303 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042910384 673515772 /nfs/dbraw/zinc/51/57/72/673515772.db2.gz KNSPNRCQRRULAX-LLVKDONJSA-N 1 0 336.396 -1.447 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042910386 673515747 /nfs/dbraw/zinc/51/57/47/673515747.db2.gz KNSPNRCQRRULAX-NSHDSACASA-N 1 0 336.396 -1.447 20 0 EAADRO CCn1nncc1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042910478 673515572 /nfs/dbraw/zinc/51/55/72/673515572.db2.gz LPDFQUXOBNOWEP-UHFFFAOYSA-N 1 0 336.396 -1.303 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001042910867 673515645 /nfs/dbraw/zinc/51/56/45/673515645.db2.gz AEURODNEJJIYIF-JTQLQIEISA-N 1 0 335.351 -1.091 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001042910868 673515815 /nfs/dbraw/zinc/51/58/15/673515815.db2.gz AEURODNEJJIYIF-SNVBAGLBSA-N 1 0 335.351 -1.091 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042932416 673517198 /nfs/dbraw/zinc/51/71/98/673517198.db2.gz LDHLUZDUDWNXPN-UHFFFAOYSA-N 1 0 325.369 -1.709 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1ncc[nH]1 ZINC001042940054 673518562 /nfs/dbraw/zinc/51/85/62/673518562.db2.gz KIGKGOBLQJCUAE-NEPJUHHUSA-N 1 0 349.391 -1.424 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1ncc[nH]1 ZINC001042940056 673518444 /nfs/dbraw/zinc/51/84/44/673518444.db2.gz KIGKGOBLQJCUAE-NWDGAFQWSA-N 1 0 349.391 -1.424 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1ncc[nH]1 ZINC001042940058 673518511 /nfs/dbraw/zinc/51/85/11/673518511.db2.gz KIGKGOBLQJCUAE-RYUDHWBXSA-N 1 0 349.391 -1.424 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1ncc[nH]1 ZINC001042940061 673518583 /nfs/dbraw/zinc/51/85/83/673518583.db2.gz KIGKGOBLQJCUAE-VXGBXAGGSA-N 1 0 349.391 -1.424 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)CC2(O)CCC2)C1 ZINC001042945975 673519415 /nfs/dbraw/zinc/51/94/15/673519415.db2.gz SBKGCOBWZQDJAZ-UHFFFAOYSA-N 1 0 343.424 -1.441 20 0 EAADRO Cc1c[nH]nc1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001042951119 673520269 /nfs/dbraw/zinc/52/02/69/673520269.db2.gz LQAWLCUSFBCECR-UHFFFAOYSA-N 1 0 339.396 -1.401 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CC3(O)CCC3)C2)C1 ZINC001042952156 673520506 /nfs/dbraw/zinc/52/05/06/673520506.db2.gz ZNZILWVJPIPVKQ-GFCCVEGCSA-N 1 0 325.409 -1.067 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CC3(O)CCC3)C2)C1 ZINC001042952157 673520516 /nfs/dbraw/zinc/52/05/16/673520516.db2.gz ZNZILWVJPIPVKQ-LBPRGKRZSA-N 1 0 325.409 -1.067 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001042968137 673522519 /nfs/dbraw/zinc/52/25/19/673522519.db2.gz DRTUUOGPFWNWES-UHFFFAOYSA-N 1 0 348.407 -1.559 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001042968216 673522720 /nfs/dbraw/zinc/52/27/20/673522720.db2.gz GLHCDTIWQMXYMI-UHFFFAOYSA-N 1 0 338.412 -1.313 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001042968454 673523137 /nfs/dbraw/zinc/52/31/37/673523137.db2.gz LHJWVNBRKWHGKR-UHFFFAOYSA-N 1 0 338.412 -1.313 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC001042968535 673522949 /nfs/dbraw/zinc/52/29/49/673522949.db2.gz MTQYDBLTIPFQFZ-LLVKDONJSA-N 1 0 338.412 -1.315 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC001042968536 673523000 /nfs/dbraw/zinc/52/30/00/673523000.db2.gz MTQYDBLTIPFQFZ-NSHDSACASA-N 1 0 338.412 -1.315 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001042969274 673522967 /nfs/dbraw/zinc/52/29/67/673522967.db2.gz SWRSVLRGKIFQPG-UHFFFAOYSA-N 1 0 338.412 -1.313 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001042969641 673523483 /nfs/dbraw/zinc/52/34/83/673523483.db2.gz XWOANWOLMBPUJE-LLVKDONJSA-N 1 0 336.396 -1.561 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001042969642 673523576 /nfs/dbraw/zinc/52/35/76/673523576.db2.gz XWOANWOLMBPUJE-NSHDSACASA-N 1 0 336.396 -1.561 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001042970495 673523787 /nfs/dbraw/zinc/52/37/87/673523787.db2.gz MSIZUQMEKRVKET-UHFFFAOYSA-N 1 0 338.412 -1.313 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001042972739 673524317 /nfs/dbraw/zinc/52/43/17/673524317.db2.gz MGBLAHAFEJGABM-LLVKDONJSA-N 1 0 336.396 -1.703 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001042972740 673524254 /nfs/dbraw/zinc/52/42/54/673524254.db2.gz MGBLAHAFEJGABM-NSHDSACASA-N 1 0 336.396 -1.703 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C[N@@H+](C)C(C)C)C2)[nH]1 ZINC001042972772 673524222 /nfs/dbraw/zinc/52/42/22/673524222.db2.gz NFPJIDHLRKFBSQ-UHFFFAOYSA-N 1 0 338.412 -1.315 20 0 EAADRO Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001042973530 673524154 /nfs/dbraw/zinc/52/41/54/673524154.db2.gz XHLWSWHEPLMVMS-UHFFFAOYSA-N 1 0 336.396 -1.559 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042982944 673526668 /nfs/dbraw/zinc/52/66/68/673526668.db2.gz BFAIUPRHKHLDBS-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cc1cn(C)nc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042983804 673526632 /nfs/dbraw/zinc/52/66/32/673526632.db2.gz QTZGOLPOHVIJLB-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1cn(C)nc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042983806 673526755 /nfs/dbraw/zinc/52/67/55/673526755.db2.gz QTZGOLPOHVIJLB-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001042984915 673526921 /nfs/dbraw/zinc/52/69/21/673526921.db2.gz GQQOHFYRYJHCOM-CYBMUJFWSA-N 1 0 335.408 -1.254 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001042984916 673526944 /nfs/dbraw/zinc/52/69/44/673526944.db2.gz GQQOHFYRYJHCOM-ZDUSSCGKSA-N 1 0 335.408 -1.254 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042985188 673527040 /nfs/dbraw/zinc/52/70/40/673527040.db2.gz JANZSESKIDUJFC-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001042985384 673526952 /nfs/dbraw/zinc/52/69/52/673526952.db2.gz LRHRSRNGEAKMOU-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001042985386 673526963 /nfs/dbraw/zinc/52/69/63/673526963.db2.gz LRHRSRNGEAKMOU-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1)[NH+](C)C ZINC001042985468 673526979 /nfs/dbraw/zinc/52/69/79/673526979.db2.gz LYBQODMXTCPFGV-CYBMUJFWSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1)[NH+](C)C ZINC001042985469 673526995 /nfs/dbraw/zinc/52/69/95/673526995.db2.gz LYBQODMXTCPFGV-ZDUSSCGKSA-N 1 0 337.424 -1.008 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001042985997 673527326 /nfs/dbraw/zinc/52/73/26/673527326.db2.gz QEHBYNMEMSTUCH-UHFFFAOYSA-N 1 0 347.419 -1.252 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001042986116 673527350 /nfs/dbraw/zinc/52/73/50/673527350.db2.gz RSRJLMNYDDGESO-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042986654 673527392 /nfs/dbraw/zinc/52/73/92/673527392.db2.gz XWLXREAGPAXOIU-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001042987038 673527294 /nfs/dbraw/zinc/52/72/94/673527294.db2.gz DHLVUGXVVQCCKO-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001042987384 673527580 /nfs/dbraw/zinc/52/75/80/673527580.db2.gz GELLMZUYMBQUEE-GFCCVEGCSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001042987386 673527667 /nfs/dbraw/zinc/52/76/67/673527667.db2.gz GELLMZUYMBQUEE-LBPRGKRZSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001042987760 673527680 /nfs/dbraw/zinc/52/76/80/673527680.db2.gz KXZMIRMITSFEQJ-UHFFFAOYSA-N 1 0 335.408 -1.252 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042987972 673527829 /nfs/dbraw/zinc/52/78/29/673527829.db2.gz LQZFTCWHQJGVIB-GXTWGEPZSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042987974 673527583 /nfs/dbraw/zinc/52/75/83/673527583.db2.gz LQZFTCWHQJGVIB-JSGCOSHPSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042987976 673527616 /nfs/dbraw/zinc/52/76/16/673527616.db2.gz LQZFTCWHQJGVIB-OCCSQVGLSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042987979 673527749 /nfs/dbraw/zinc/52/77/49/673527749.db2.gz LQZFTCWHQJGVIB-TZMCWYRMSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001042988022 673527605 /nfs/dbraw/zinc/52/76/05/673527605.db2.gz MVOPWJOOKIPJHD-TZMCWYRMSA-N 1 0 349.435 -1.008 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3ccn(C)n3)C2)C1 ZINC001042988062 673527695 /nfs/dbraw/zinc/52/76/95/673527695.db2.gz NQFMWIHCQNJDKI-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3ccn(C)n3)C2)C1 ZINC001042988065 673527784 /nfs/dbraw/zinc/52/77/84/673527784.db2.gz NQFMWIHCQNJDKI-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001042988098 673527808 /nfs/dbraw/zinc/52/78/08/673527808.db2.gz OMAAXTGAYOSSQM-HNNXBMFYSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001042988100 673527794 /nfs/dbraw/zinc/52/77/94/673527794.db2.gz OMAAXTGAYOSSQM-OAHLLOKOSA-N 1 0 349.435 -1.008 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001042988393 673527919 /nfs/dbraw/zinc/52/79/19/673527919.db2.gz VJNGQLDXQTVIRB-UHFFFAOYSA-N 1 0 337.424 -1.008 20 0 EAADRO Cn1ccc(CC(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001042988539 673528037 /nfs/dbraw/zinc/52/80/37/673528037.db2.gz YOPVPRQZDNBZQW-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001042990685 673528672 /nfs/dbraw/zinc/52/86/72/673528672.db2.gz BZEHUQWJGACOIN-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CCNC(N)=O)C2)C1 ZINC001042990750 673528615 /nfs/dbraw/zinc/52/86/15/673528615.db2.gz DRZUMUXIXFSKRI-LLVKDONJSA-N 1 0 341.412 -1.924 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CCNC(N)=O)C2)C1 ZINC001042990751 673528512 /nfs/dbraw/zinc/52/85/12/673528512.db2.gz DRZUMUXIXFSKRI-NSHDSACASA-N 1 0 341.412 -1.924 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1)C1CC1 ZINC001042991486 673528876 /nfs/dbraw/zinc/52/88/76/673528876.db2.gz GLXQSFVMKGMHHM-GFCCVEGCSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1)C1CC1 ZINC001042991487 673528864 /nfs/dbraw/zinc/52/88/64/673528864.db2.gz GLXQSFVMKGMHHM-LBPRGKRZSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001042991586 673529274 /nfs/dbraw/zinc/52/92/74/673529274.db2.gz ITZKEGBHQBQYFV-UHFFFAOYSA-N 1 0 345.400 -2.688 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001042991788 673529317 /nfs/dbraw/zinc/52/93/17/673529317.db2.gz JKHRKOKMHGAVNU-LLVKDONJSA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001042991790 673529241 /nfs/dbraw/zinc/52/92/41/673529241.db2.gz JKHRKOKMHGAVNU-NSHDSACASA-N 1 0 341.412 -1.781 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001042991791 673529196 /nfs/dbraw/zinc/52/91/96/673529196.db2.gz JMXLLRIMVHHSGM-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)CCNC(N)=O)C2)CC1 ZINC001042991819 673529258 /nfs/dbraw/zinc/52/92/58/673529258.db2.gz KIZQSLSKATUGCB-UHFFFAOYSA-N 1 0 341.412 -1.924 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001042991840 673529233 /nfs/dbraw/zinc/52/92/33/673529233.db2.gz LEHOZBWZOBGYMU-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001042991852 673529170 /nfs/dbraw/zinc/52/91/70/673529170.db2.gz LSGMHTCKMJOVSQ-JTQLQIEISA-N 1 0 329.401 -1.926 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001042991853 673529212 /nfs/dbraw/zinc/52/92/12/673529212.db2.gz LSGMHTCKMJOVSQ-SNVBAGLBSA-N 1 0 329.401 -1.926 20 0 EAADRO 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C[NH+]1CCC(CC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC1 ZINC001043025534 673534736 /nfs/dbraw/zinc/53/47/36/673534736.db2.gz SPBBMBXCWGLUDE-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO COc1cncc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)n1 ZINC001043030613 673534939 /nfs/dbraw/zinc/53/49/39/673534939.db2.gz GPGSNWNIYBLMNY-UHFFFAOYSA-N 1 0 337.380 -1.260 20 0 EAADRO COc1cncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001043030735 673535010 /nfs/dbraw/zinc/53/50/10/673535010.db2.gz JGPBLYUAFWGLQD-GFCCVEGCSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001043030738 673535103 /nfs/dbraw/zinc/53/51/03/673535103.db2.gz JGPBLYUAFWGLQD-LBPRGKRZSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043031631 673535382 /nfs/dbraw/zinc/53/53/82/673535382.db2.gz UQJCDDOPWQLOLT-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1cncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043031633 673535316 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20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043043243 673538290 /nfs/dbraw/zinc/53/82/90/673538290.db2.gz FYMZGPUOAMARQX-LLVKDONJSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043043244 673538282 /nfs/dbraw/zinc/53/82/82/673538282.db2.gz FYMZGPUOAMARQX-NSHDSACASA-N 1 0 326.397 -1.576 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001043043260 673538085 /nfs/dbraw/zinc/53/80/85/673538085.db2.gz GCZDCDYDIWUJIQ-CYBMUJFWSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001043043261 673538526 /nfs/dbraw/zinc/53/85/26/673538526.db2.gz GCZDCDYDIWUJIQ-ZDUSSCGKSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043043333 673538622 /nfs/dbraw/zinc/53/86/22/673538622.db2.gz ILUYCBXVNMGPRQ-LLVKDONJSA-N 1 0 336.396 -1.019 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043043334 673538395 /nfs/dbraw/zinc/53/83/95/673538395.db2.gz ILUYCBXVNMGPRQ-NSHDSACASA-N 1 0 336.396 -1.019 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043044637 673538613 /nfs/dbraw/zinc/53/86/13/673538613.db2.gz ZVIMBJMQIFZHCR-LLVKDONJSA-N 1 0 341.412 -1.783 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043044638 673538345 /nfs/dbraw/zinc/53/83/45/673538345.db2.gz ZVIMBJMQIFZHCR-NSHDSACASA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@H](CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)NC(N)=O ZINC001043046530 673538709 /nfs/dbraw/zinc/53/87/09/673538709.db2.gz DKVPTSHRPXRREU-GHMZBOCLSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@H](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)NC(N)=O ZINC001043046532 673538685 /nfs/dbraw/zinc/53/86/85/673538685.db2.gz DKVPTSHRPXRREU-MNOVXSKESA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@@H](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)NC(N)=O ZINC001043046534 673538767 /nfs/dbraw/zinc/53/87/67/673538767.db2.gz DKVPTSHRPXRREU-QWRGUYRKSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@@H](CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)NC(N)=O ZINC001043046535 673538899 /nfs/dbraw/zinc/53/88/99/673538899.db2.gz DKVPTSHRPXRREU-WDEREUQCSA-N 1 0 341.412 -1.783 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1)[NH+](C)C ZINC001043046540 673538759 /nfs/dbraw/zinc/53/87/59/673538759.db2.gz DOVKYYWFKVTIGP-CHWSQXEVSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1)[NH+](C)C ZINC001043046542 673538800 /nfs/dbraw/zinc/53/88/00/673538800.db2.gz DOVKYYWFKVTIGP-OLZOCXBDSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1)[NH+](C)C ZINC001043046544 673538702 /nfs/dbraw/zinc/53/87/02/673538702.db2.gz DOVKYYWFKVTIGP-QWHCGFSZSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1)[NH+](C)C ZINC001043046546 673539171 /nfs/dbraw/zinc/53/91/71/673539171.db2.gz DOVKYYWFKVTIGP-STQMWFEESA-N 1 0 343.424 -1.178 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001043046606 673539107 /nfs/dbraw/zinc/53/91/07/673539107.db2.gz FNDFXBHKMDKRRO-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001043046607 673539074 /nfs/dbraw/zinc/53/90/74/673539074.db2.gz FNDFXBHKMDKRRO-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001043046680 673539179 /nfs/dbraw/zinc/53/91/79/673539179.db2.gz GNJKJGLYOSUNTD-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001043046684 673539067 /nfs/dbraw/zinc/53/90/67/673539067.db2.gz GNJKJGLYOSUNTD-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001043047476 673539309 /nfs/dbraw/zinc/53/93/09/673539309.db2.gz LMGGDOABDLNCCH-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001043047478 673539268 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341.408 -1.567 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CO[C@H]3CCOC3)C2)C1 ZINC001043048203 673539955 /nfs/dbraw/zinc/53/99/55/673539955.db2.gz QCIFQZJDRHOPIZ-STQMWFEESA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001043048453 669916223 /nfs/dbraw/zinc/91/62/23/669916223.db2.gz RDQYCZURRGAOID-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001043048454 669916264 /nfs/dbraw/zinc/91/62/64/669916264.db2.gz RDQYCZURRGAOID-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001043048617 673540152 /nfs/dbraw/zinc/54/01/52/673540152.db2.gz SYYNPPLZSXJQPI-CHWSQXEVSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001043048783 673540117 /nfs/dbraw/zinc/54/01/17/673540117.db2.gz SYYNPPLZSXJQPI-OLZOCXBDSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001043048784 673540184 /nfs/dbraw/zinc/54/01/84/673540184.db2.gz SYYNPPLZSXJQPI-QWHCGFSZSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001043048786 673540236 /nfs/dbraw/zinc/54/02/36/673540236.db2.gz SYYNPPLZSXJQPI-STQMWFEESA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043049097 673540554 /nfs/dbraw/zinc/54/05/54/673540554.db2.gz WUBXBEJNJNQWHN-CYBMUJFWSA-N 1 0 341.408 -1.423 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043049098 673540545 /nfs/dbraw/zinc/54/05/45/673540545.db2.gz WUBXBEJNJNQWHN-ZDUSSCGKSA-N 1 0 341.408 -1.423 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001043049282 673540704 /nfs/dbraw/zinc/54/07/04/673540704.db2.gz ZRHMCJFOKALOQW-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001043049284 673540715 /nfs/dbraw/zinc/54/07/15/673540715.db2.gz ZRHMCJFOKALOQW-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001043049412 673540869 /nfs/dbraw/zinc/54/08/69/673540869.db2.gz BHUXWAYOMURWRT-LLVKDONJSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001043049413 673540773 /nfs/dbraw/zinc/54/07/73/673540773.db2.gz BHUXWAYOMURWRT-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043049672 673541140 /nfs/dbraw/zinc/54/11/40/673541140.db2.gz GHVBREWOUGUCOB-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO C[C@H](CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043049673 673541053 /nfs/dbraw/zinc/54/10/53/673541053.db2.gz GHVBREWOUGUCOB-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO C[C@@H](CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043049674 673541126 /nfs/dbraw/zinc/54/11/26/673541126.db2.gz GHVBREWOUGUCOB-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[C@@H](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043049675 673541112 /nfs/dbraw/zinc/54/11/12/673541112.db2.gz GHVBREWOUGUCOB-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001043049877 673541200 /nfs/dbraw/zinc/54/12/00/673541200.db2.gz GSHZDHRZLKLMRJ-LLVKDONJSA-N 1 0 343.428 -1.537 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001043049879 673541172 /nfs/dbraw/zinc/54/11/72/673541172.db2.gz GSHZDHRZLKLMRJ-NSHDSACASA-N 1 0 343.428 -1.537 20 0 EAADRO C[C@H](CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)NC(N)=O ZINC001043050076 673541416 /nfs/dbraw/zinc/54/14/16/673541416.db2.gz JQLAEXUEVJYXFT-LLVKDONJSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@@H](CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)NC(N)=O ZINC001043050077 673541490 /nfs/dbraw/zinc/54/14/90/673541490.db2.gz JQLAEXUEVJYXFT-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001043050281 673541508 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326.397 -1.848 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043112706 673549889 /nfs/dbraw/zinc/54/98/89/673549889.db2.gz DEXVUNFOZUQLBJ-ZYHUDNBSSA-N 1 0 326.397 -1.848 20 0 EAADRO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC001043112956 673549983 /nfs/dbraw/zinc/54/99/83/673549983.db2.gz FQLWFTYUUKHSSC-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC001043112957 673549991 /nfs/dbraw/zinc/54/99/91/673549991.db2.gz FQLWFTYUUKHSSC-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001043112990 673549878 /nfs/dbraw/zinc/54/98/78/673549878.db2.gz GIQJAHUHSOVOEW-GFCCVEGCSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001043112991 673550058 /nfs/dbraw/zinc/55/00/58/673550058.db2.gz GIQJAHUHSOVOEW-LBPRGKRZSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001043113156 673549917 /nfs/dbraw/zinc/54/99/17/673549917.db2.gz HFINGEOYMLHNRZ-NEPJUHHUSA-N 1 0 327.381 -1.957 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001043113158 673549853 /nfs/dbraw/zinc/54/98/53/673549853.db2.gz HFINGEOYMLHNRZ-NWDGAFQWSA-N 1 0 327.381 -1.957 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001043113160 673549953 /nfs/dbraw/zinc/54/99/53/673549953.db2.gz HFINGEOYMLHNRZ-RYUDHWBXSA-N 1 0 327.381 -1.957 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001043113162 673549913 /nfs/dbraw/zinc/54/99/13/673549913.db2.gz HFINGEOYMLHNRZ-VXGBXAGGSA-N 1 0 327.381 -1.957 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnns3)C2)C1 ZINC001043113172 673549901 /nfs/dbraw/zinc/54/99/01/673549901.db2.gz HMCCELDNIPDSKJ-SECBINFHSA-N 1 0 325.394 -1.207 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cnns3)C2)C1 ZINC001043113173 673549945 /nfs/dbraw/zinc/54/99/45/673549945.db2.gz HMCCELDNIPDSKJ-VIFPVBQESA-N 1 0 325.394 -1.207 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001043113262 673550004 /nfs/dbraw/zinc/55/00/04/673550004.db2.gz JJPUWYXYMKTADU-JTQLQIEISA-N 1 0 333.410 -2.328 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001043113263 673550051 /nfs/dbraw/zinc/55/00/51/673550051.db2.gz JJPUWYXYMKTADU-SNVBAGLBSA-N 1 0 333.410 -2.328 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001043113377 673550027 /nfs/dbraw/zinc/55/00/27/673550027.db2.gz KLRLCMFQIHXQLD-JTQLQIEISA-N 1 0 335.364 -1.563 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001043113379 673549846 /nfs/dbraw/zinc/54/98/46/673549846.db2.gz KLRLCMFQIHXQLD-SNVBAGLBSA-N 1 0 335.364 -1.563 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001043113425 673549924 /nfs/dbraw/zinc/54/99/24/673549924.db2.gz LCDAAFRTGGQMKO-CYBMUJFWSA-N 1 0 334.376 -1.425 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001043113426 673549961 /nfs/dbraw/zinc/54/99/61/673549961.db2.gz LCDAAFRTGGQMKO-ZDUSSCGKSA-N 1 0 334.376 -1.425 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCn3cccn3)C2)C1 ZINC001043113517 673549935 /nfs/dbraw/zinc/54/99/35/673549935.db2.gz MNTBCJNTBCMSSZ-CYBMUJFWSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCn3cccn3)C2)C1 ZINC001043113518 673550419 /nfs/dbraw/zinc/55/04/19/673550419.db2.gz MNTBCJNTBCMSSZ-ZDUSSCGKSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnsn3)C2)C1 ZINC001043113525 673550281 /nfs/dbraw/zinc/55/02/81/673550281.db2.gz MURUDWPTGIJTJX-SECBINFHSA-N 1 0 325.394 -1.207 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cnsn3)C2)C1 ZINC001043113526 673550382 /nfs/dbraw/zinc/55/03/82/673550382.db2.gz MURUDWPTGIJTJX-VIFPVBQESA-N 1 0 325.394 -1.207 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCn3cncn3)C2)C1 ZINC001043113699 673550261 /nfs/dbraw/zinc/55/02/61/673550261.db2.gz PKPQTJRYNUBELN-GFCCVEGCSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCn3cncn3)C2)C1 ZINC001043113700 673550387 /nfs/dbraw/zinc/55/03/87/673550387.db2.gz PKPQTJRYNUBELN-LBPRGKRZSA-N 1 0 336.396 -1.691 20 0 EAADRO CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043113893 673550359 /nfs/dbraw/zinc/55/03/59/673550359.db2.gz QRCGRUFWPNLATJ-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043113894 673550349 /nfs/dbraw/zinc/55/03/49/673550349.db2.gz QRCGRUFWPNLATJ-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO Cn1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001043113898 673550406 /nfs/dbraw/zinc/55/04/06/673550406.db2.gz QTSPVJVRVBAVJJ-CYBMUJFWSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1cc(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001043113899 673550373 /nfs/dbraw/zinc/55/03/73/673550373.db2.gz QTSPVJVRVBAVJJ-ZDUSSCGKSA-N 1 0 335.408 -1.396 20 0 EAADRO Cc1cnn(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001043113901 673550364 /nfs/dbraw/zinc/55/03/64/673550364.db2.gz QVYROMFUTJUCCM-CYBMUJFWSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1cnn(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001043113902 673550214 /nfs/dbraw/zinc/55/02/14/673550214.db2.gz QVYROMFUTJUCCM-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043113927 673550393 /nfs/dbraw/zinc/55/03/93/673550393.db2.gz RPRVKSLKJNPRRE-JTQLQIEISA-N 1 0 328.369 -2.016 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043113928 673550270 /nfs/dbraw/zinc/55/02/70/673550270.db2.gz RPRVKSLKJNPRRE-SNVBAGLBSA-N 1 0 328.369 -2.016 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C3=COCCO3)C2)C1 ZINC001043114473 673550345 /nfs/dbraw/zinc/55/03/45/673550345.db2.gz XGCPKJGGUDVECU-LLVKDONJSA-N 1 0 325.365 -1.484 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C3=COCCO3)C2)C1 ZINC001043114474 673550180 /nfs/dbraw/zinc/55/01/80/673550180.db2.gz XGCPKJGGUDVECU-NSHDSACASA-N 1 0 325.365 -1.484 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CN3CCCC3=O)C2)C1 ZINC001043114547 673550307 /nfs/dbraw/zinc/55/03/07/673550307.db2.gz YHBJKNGESUYMAJ-GFCCVEGCSA-N 1 0 338.408 -1.750 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CN3CCCC3=O)C2)C1 ZINC001043114550 673550371 /nfs/dbraw/zinc/55/03/71/673550371.db2.gz YHBJKNGESUYMAJ-LBPRGKRZSA-N 1 0 338.408 -1.750 20 0 EAADRO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001043114674 673550300 /nfs/dbraw/zinc/55/03/00/673550300.db2.gz ZUHQPNUOLWIPER-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001043114675 673550435 /nfs/dbraw/zinc/55/04/35/673550435.db2.gz ZUHQPNUOLWIPER-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CC3(O)CCC3)C2)C1 ZINC001043114705 673550267 /nfs/dbraw/zinc/55/02/67/673550267.db2.gz AAVNSOPUQBFJPB-GFCCVEGCSA-N 1 0 325.409 -1.067 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CC3(O)CCC3)C2)C1 ZINC001043114707 673550411 /nfs/dbraw/zinc/55/04/11/673550411.db2.gz AAVNSOPUQBFJPB-LBPRGKRZSA-N 1 0 325.409 -1.067 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3nccnc3N)C2)C1 ZINC001043114742 673550154 /nfs/dbraw/zinc/55/01/54/673550154.db2.gz AONUBSGZXHQLFM-JTQLQIEISA-N 1 0 334.380 -1.686 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3nccnc3N)C2)C1 ZINC001043114743 673550429 /nfs/dbraw/zinc/55/04/29/673550429.db2.gz AONUBSGZXHQLFM-SNVBAGLBSA-N 1 0 334.380 -1.686 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC001043114788 673550366 /nfs/dbraw/zinc/55/03/66/673550366.db2.gz BLSULWOXBDCKJK-ABAIWWIYSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC001043114789 673550249 /nfs/dbraw/zinc/55/02/49/673550249.db2.gz BLSULWOXBDCKJK-NHYWBVRUSA-N 1 0 338.408 -1.704 20 0 EAADRO Cn1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043114802 673550142 /nfs/dbraw/zinc/55/01/42/673550142.db2.gz BSFVZFWWBSUZDX-GFCCVEGCSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1ccc(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043114803 673550190 /nfs/dbraw/zinc/55/01/90/673550190.db2.gz BSFVZFWWBSUZDX-LBPRGKRZSA-N 1 0 335.408 -1.396 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001043114824 673550314 /nfs/dbraw/zinc/55/03/14/673550314.db2.gz BZKBZCHUBKCRJQ-GFCCVEGCSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001043114826 673550324 /nfs/dbraw/zinc/55/03/24/673550324.db2.gz BZKBZCHUBKCRJQ-LBPRGKRZSA-N 1 0 338.408 -1.846 20 0 EAADRO Cc1nonc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043114957 673550319 /nfs/dbraw/zinc/55/03/19/673550319.db2.gz CEZISDCYGLYCBA-LLVKDONJSA-N 1 0 337.380 -1.438 20 0 EAADRO Cc1nonc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043114960 673550149 /nfs/dbraw/zinc/55/01/49/673550149.db2.gz CEZISDCYGLYCBA-NSHDSACASA-N 1 0 337.380 -1.438 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC001043114964 673550425 /nfs/dbraw/zinc/55/04/25/673550425.db2.gz CIEPRYKNPVXMNU-JTQLQIEISA-N 1 0 349.391 -1.632 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC001043114966 673550135 /nfs/dbraw/zinc/55/01/35/673550135.db2.gz CIEPRYKNPVXMNU-SNVBAGLBSA-N 1 0 349.391 -1.632 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001043114993 673550378 /nfs/dbraw/zinc/55/03/78/673550378.db2.gz CWLAPFJVABIOPA-NXEZZACHSA-N 1 0 325.369 -2.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001043114994 673550400 /nfs/dbraw/zinc/55/04/00/673550400.db2.gz CWLAPFJVABIOPA-UWVGGRQHSA-N 1 0 325.369 -2.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001043114995 673550368 /nfs/dbraw/zinc/55/03/68/673550368.db2.gz CWLAPFJVABIOPA-VHSXEESVSA-N 1 0 325.369 -2.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001043114996 673550441 /nfs/dbraw/zinc/55/04/41/673550441.db2.gz CWLAPFJVABIOPA-ZJUUUORDSA-N 1 0 325.369 -2.691 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043114997 673550335 /nfs/dbraw/zinc/55/03/35/673550335.db2.gz CWQPOBZXADZHEX-JTQLQIEISA-N 1 0 337.380 -1.321 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043114999 673550241 /nfs/dbraw/zinc/55/02/41/673550241.db2.gz CWQPOBZXADZHEX-SNVBAGLBSA-N 1 0 337.380 -1.321 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001043115007 673550273 /nfs/dbraw/zinc/55/02/73/673550273.db2.gz CZCNDKXSJGSLMX-JTQLQIEISA-N 1 0 338.368 -2.375 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001043115008 673550340 /nfs/dbraw/zinc/55/03/40/673550340.db2.gz CZCNDKXSJGSLMX-SNVBAGLBSA-N 1 0 338.368 -2.375 20 0 EAADRO CNC(=O)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043115023 673550736 /nfs/dbraw/zinc/55/07/36/673550736.db2.gz DEQNDBXVRSLLSD-LLVKDONJSA-N 1 0 338.408 -1.846 20 0 EAADRO CNC(=O)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043115025 673550624 /nfs/dbraw/zinc/55/06/24/673550624.db2.gz DEQNDBXVRSLLSD-NSHDSACASA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCn3ccnn3)C2)C1 ZINC001043115043 673550779 /nfs/dbraw/zinc/55/07/79/673550779.db2.gz DQWLLFQSTCOIMZ-GFCCVEGCSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCn3ccnn3)C2)C1 ZINC001043115044 673550796 /nfs/dbraw/zinc/55/07/96/673550796.db2.gz DQWLLFQSTCOIMZ-LBPRGKRZSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CN3CCOCC3)C2)C1 ZINC001043115047 673550772 /nfs/dbraw/zinc/55/07/72/673550772.db2.gz DRIBTBISKCXCFM-CYBMUJFWSA-N 1 0 340.424 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ZINC001043115280 673550653 /nfs/dbraw/zinc/55/06/53/673550653.db2.gz GISCUAIFMTVZCA-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115281 673550875 /nfs/dbraw/zinc/55/08/75/673550875.db2.gz GISCUAIFMTVZCA-OLZOCXBDSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115282 673550748 /nfs/dbraw/zinc/55/07/48/673550748.db2.gz GISCUAIFMTVZCA-QWHCGFSZSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115284 673550649 /nfs/dbraw/zinc/55/06/49/673550649.db2.gz GISCUAIFMTVZCA-STQMWFEESA-N 1 0 340.424 -1.458 20 0 EAADRO COCCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115290 673550639 /nfs/dbraw/zinc/55/06/39/673550639.db2.gz GJBLKXMOYLHOOA-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115292 673550606 /nfs/dbraw/zinc/55/06/06/673550606.db2.gz GJBLKXMOYLHOOA-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115297 673550855 /nfs/dbraw/zinc/55/08/55/673550855.db2.gz GJLIPHAZSDIQJE-UWVGGRQHSA-N 1 0 327.385 -2.316 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115299 673550813 /nfs/dbraw/zinc/55/08/13/673550813.db2.gz GJLIPHAZSDIQJE-VHSXEESVSA-N 1 0 327.385 -2.316 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115307 673550908 /nfs/dbraw/zinc/55/09/08/673550908.db2.gz GOBNUECFLBEIFI-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115309 673550621 /nfs/dbraw/zinc/55/06/21/673550621.db2.gz GOBNUECFLBEIFI-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001043115311 673550692 /nfs/dbraw/zinc/55/06/92/673550692.db2.gz GSTDJFSSSKMCSS-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001043115313 673550842 /nfs/dbraw/zinc/55/08/42/673550842.db2.gz GSTDJFSSSKMCSS-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115315 673550821 /nfs/dbraw/zinc/55/08/21/673550821.db2.gz GUNCMZDWTZGRSJ-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115316 673550672 /nfs/dbraw/zinc/55/06/72/673550672.db2.gz GUNCMZDWTZGRSJ-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001043115321 673550603 /nfs/dbraw/zinc/55/06/03/673550603.db2.gz GXHCYXFQRZVDPM-JTQLQIEISA-N 1 0 345.421 -2.328 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001043115322 673550599 /nfs/dbraw/zinc/55/05/99/673550599.db2.gz GXHCYXFQRZVDPM-SNVBAGLBSA-N 1 0 345.421 -2.328 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC001043115331 673550659 /nfs/dbraw/zinc/55/06/59/673550659.db2.gz HDFAOOJTYWUYRF-ABAIWWIYSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC001043115332 673550601 /nfs/dbraw/zinc/55/06/01/673550601.db2.gz HDFAOOJTYWUYRF-IAQYHMDHSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC001043115333 673550676 /nfs/dbraw/zinc/55/06/76/673550676.db2.gz HDFAOOJTYWUYRF-NHYWBVRUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC001043115334 673550698 /nfs/dbraw/zinc/55/06/98/673550698.db2.gz HDFAOOJTYWUYRF-XHDPSFHLSA-N 1 0 338.408 -1.846 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043115335 673550928 /nfs/dbraw/zinc/55/09/28/673550928.db2.gz HEOPSFMGHSZCCP-GFCCVEGCSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043115336 673550935 /nfs/dbraw/zinc/55/09/35/673550935.db2.gz HEOPSFMGHSZCCP-LBPRGKRZSA-N 1 0 340.424 -1.458 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001043115487 673550723 /nfs/dbraw/zinc/55/07/23/673550723.db2.gz HNVAPEMTVBUUFS-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001043115490 673550786 /nfs/dbraw/zinc/55/07/86/673550786.db2.gz HNVAPEMTVBUUFS-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001043115491 673550609 /nfs/dbraw/zinc/55/06/09/673550609.db2.gz HNVAPEMTVBUUFS-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001043115492 673550943 /nfs/dbraw/zinc/55/09/43/673550943.db2.gz HNVAPEMTVBUUFS-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CO[C@@H]3CCOC3)C2)C1 ZINC001043115494 673550849 /nfs/dbraw/zinc/55/08/49/673550849.db2.gz HRJMSEXHCINIII-CHWSQXEVSA-N 1 0 341.408 -1.567 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CO[C@H]3CCOC3)C2)C1 ZINC001043115496 673550635 /nfs/dbraw/zinc/55/06/35/673550635.db2.gz HRJMSEXHCINIII-OLZOCXBDSA-N 1 0 341.408 -1.567 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CO[C@@H]3CCOC3)C2)C1 ZINC001043115498 673550862 /nfs/dbraw/zinc/55/08/62/673550862.db2.gz HRJMSEXHCINIII-QWHCGFSZSA-N 1 0 341.408 -1.567 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CO[C@H]3CCOC3)C2)C1 ZINC001043115501 673550741 /nfs/dbraw/zinc/55/07/41/673550741.db2.gz HRJMSEXHCINIII-STQMWFEESA-N 1 0 341.408 -1.567 20 0 EAADRO CCn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043115533 673550664 /nfs/dbraw/zinc/55/06/64/673550664.db2.gz HZUBGHQFQOJHES-LLVKDONJSA-N 1 0 336.396 -1.447 20 0 EAADRO CCn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043115536 673550836 /nfs/dbraw/zinc/55/08/36/673550836.db2.gz HZUBGHQFQOJHES-NSHDSACASA-N 1 0 336.396 -1.447 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCn3cnnn3)C2)C1 ZINC001043115568 673550938 /nfs/dbraw/zinc/55/09/38/673550938.db2.gz IJSJDTYWJUFLQK-LLVKDONJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCn3cnnn3)C2)C1 ZINC001043115570 673550618 /nfs/dbraw/zinc/55/06/18/673550618.db2.gz IJSJDTYWJUFLQK-NSHDSACASA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043115571 673550829 /nfs/dbraw/zinc/55/08/29/673550829.db2.gz IJYFZWVDVZGPNE-JTQLQIEISA-N 1 0 326.397 -1.861 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043115573 673550681 /nfs/dbraw/zinc/55/06/81/673550681.db2.gz IJYFZWVDVZGPNE-SNVBAGLBSA-N 1 0 326.397 -1.861 20 0 EAADRO CCn1nncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115589 673550631 /nfs/dbraw/zinc/55/06/31/673550631.db2.gz ISDRJDCETOURQM-LLVKDONJSA-N 1 0 336.396 -1.447 20 0 EAADRO CCn1nncc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115590 673550704 /nfs/dbraw/zinc/55/07/04/673550704.db2.gz ISDRJDCETOURQM-NSHDSACASA-N 1 0 336.396 -1.447 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC001043115597 673550730 /nfs/dbraw/zinc/55/07/30/673550730.db2.gz IVVMYZHPKWQERU-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC001043115599 673550718 /nfs/dbraw/zinc/55/07/18/673550718.db2.gz IVVMYZHPKWQERU-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO Cc1c(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001043115625 673550644 /nfs/dbraw/zinc/55/06/44/673550644.db2.gz JGCSORWWTSXAOO-CYBMUJFWSA-N 1 0 349.435 -1.088 20 0 EAADRO Cc1c(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001043115627 673550668 /nfs/dbraw/zinc/55/06/68/673550668.db2.gz JGCSORWWTSXAOO-ZDUSSCGKSA-N 1 0 349.435 -1.088 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001043115629 673550711 /nfs/dbraw/zinc/55/07/11/673550711.db2.gz JGJAACAIIZAUOA-GFCCVEGCSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001043115631 673550686 /nfs/dbraw/zinc/55/06/86/673550686.db2.gz JGJAACAIIZAUOA-LBPRGKRZSA-N 1 0 348.403 -1.360 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3cncnc3)C2)C1 ZINC001043115633 673551180 /nfs/dbraw/zinc/55/11/80/673551180.db2.gz JHRWPFHMGUGYIC-CYBMUJFWSA-N 1 0 333.392 -1.340 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3cncnc3)C2)C1 ZINC001043115634 673551289 /nfs/dbraw/zinc/55/12/89/673551289.db2.gz JHRWPFHMGUGYIC-ZDUSSCGKSA-N 1 0 333.392 -1.340 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115813 673551348 /nfs/dbraw/zinc/55/13/48/673551348.db2.gz JRGBACHSQJCYSB-CHWSQXEVSA-N 1 0 340.424 -2.042 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115814 673551295 /nfs/dbraw/zinc/55/12/95/673551295.db2.gz JRGBACHSQJCYSB-OLZOCXBDSA-N 1 0 340.424 -2.042 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115816 673551304 /nfs/dbraw/zinc/55/13/04/673551304.db2.gz JRGBACHSQJCYSB-QWHCGFSZSA-N 1 0 340.424 -2.042 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115817 673551052 /nfs/dbraw/zinc/55/10/52/673551052.db2.gz JRGBACHSQJCYSB-STQMWFEESA-N 1 0 340.424 -2.042 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3cn[nH]n3)C2)C1 ZINC001043115827 673551134 /nfs/dbraw/zinc/55/11/34/673551134.db2.gz JTTKXZXMSJAUAS-LLVKDONJSA-N 1 0 336.396 -1.622 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3cn[nH]n3)C2)C1 ZINC001043115828 673551267 /nfs/dbraw/zinc/55/12/67/673551267.db2.gz JTTKXZXMSJAUAS-NSHDSACASA-N 1 0 336.396 -1.622 20 0 EAADRO COc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001043115830 673551375 /nfs/dbraw/zinc/55/13/75/673551375.db2.gz JVXYNDOMIRNNNX-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001043115831 673551115 /nfs/dbraw/zinc/55/11/15/673551115.db2.gz JVXYNDOMIRNNNX-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC001043115851 673551262 /nfs/dbraw/zinc/55/12/62/673551262.db2.gz JZTMHXADKHYQLS-LLVKDONJSA-N 1 0 346.391 -1.083 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC001043115852 673551072 /nfs/dbraw/zinc/55/10/72/673551072.db2.gz JZTMHXADKHYQLS-NSHDSACASA-N 1 0 346.391 -1.083 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115859 673551104 /nfs/dbraw/zinc/55/11/04/673551104.db2.gz KAZPMIMPLTYJSF-GFCCVEGCSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115860 673551020 /nfs/dbraw/zinc/55/10/20/673551020.db2.gz KAZPMIMPLTYJSF-LBPRGKRZSA-N 1 0 348.403 -1.360 20 0 EAADRO COc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001043115862 673551015 /nfs/dbraw/zinc/55/10/15/673551015.db2.gz KDFMDWUBTLAFTB-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001043115863 673551131 /nfs/dbraw/zinc/55/11/31/673551131.db2.gz KDFMDWUBTLAFTB-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115887 673551092 /nfs/dbraw/zinc/55/10/92/673551092.db2.gz LBIVWJCHESOZFY-NEPJUHHUSA-N 1 0 329.397 -1.711 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115889 673551307 /nfs/dbraw/zinc/55/13/07/673551307.db2.gz LBIVWJCHESOZFY-NWDGAFQWSA-N 1 0 329.397 -1.711 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115890 673551004 /nfs/dbraw/zinc/55/10/04/673551004.db2.gz LBIVWJCHESOZFY-RYUDHWBXSA-N 1 0 329.397 -1.711 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115892 673551096 /nfs/dbraw/zinc/55/10/96/673551096.db2.gz LBIVWJCHESOZFY-VXGBXAGGSA-N 1 0 329.397 -1.711 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]c1=O ZINC001043115893 673551058 /nfs/dbraw/zinc/55/10/58/673551058.db2.gz LCKGQYAQWLSBEV-JTQLQIEISA-N 1 0 337.380 -1.620 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]c1=O ZINC001043115895 673551218 /nfs/dbraw/zinc/55/12/18/673551218.db2.gz LCKGQYAQWLSBEV-SNVBAGLBSA-N 1 0 337.380 -1.620 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001043115899 673551337 /nfs/dbraw/zinc/55/13/37/673551337.db2.gz LFEMYPAUVXERBW-LLVKDONJSA-N 1 0 336.396 -1.703 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001043115900 673551193 /nfs/dbraw/zinc/55/11/93/673551193.db2.gz LFEMYPAUVXERBW-NSHDSACASA-N 1 0 336.396 -1.703 20 0 EAADRO C[C@H](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043116079 673551358 /nfs/dbraw/zinc/55/13/58/673551358.db2.gz LVWRLDJXEOKNPB-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO C[C@H](CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043116080 673551150 /nfs/dbraw/zinc/55/11/50/673551150.db2.gz LVWRLDJXEOKNPB-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO C[C@@H](CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043116081 673551121 /nfs/dbraw/zinc/55/11/21/673551121.db2.gz LVWRLDJXEOKNPB-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[C@@H](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)NC(N)=O ZINC001043116082 673551017 /nfs/dbraw/zinc/55/10/17/673551017.db2.gz LVWRLDJXEOKNPB-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001043116085 673550996 /nfs/dbraw/zinc/55/09/96/673550996.db2.gz LZYCMTWGFRDPIP-GFCCVEGCSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001043116086 673551126 /nfs/dbraw/zinc/55/11/26/673551126.db2.gz LZYCMTWGFRDPIP-LBPRGKRZSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1cncc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116095 673551247 /nfs/dbraw/zinc/55/12/47/673551247.db2.gz MJVGSWSZGMHCNX-GFCCVEGCSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1cncc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116096 673551161 /nfs/dbraw/zinc/55/11/61/673551161.db2.gz MJVGSWSZGMHCNX-LBPRGKRZSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1ccc(CCC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043116176 673551101 /nfs/dbraw/zinc/55/11/01/673551101.db2.gz NLUHASYDUWRQFH-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CCC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043116178 673551025 /nfs/dbraw/zinc/55/10/25/673551025.db2.gz NLUHASYDUWRQFH-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)n1cncn1 ZINC001043116179 673551173 /nfs/dbraw/zinc/55/11/73/673551173.db2.gz NLXHLBNYXAHHNO-NEPJUHHUSA-N 1 0 336.396 -1.520 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)n1cncn1 ZINC001043116180 673551354 /nfs/dbraw/zinc/55/13/54/673551354.db2.gz NLXHLBNYXAHHNO-NWDGAFQWSA-N 1 0 336.396 -1.520 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)n1cncn1 ZINC001043116181 673551010 /nfs/dbraw/zinc/55/10/10/673551010.db2.gz NLXHLBNYXAHHNO-RYUDHWBXSA-N 1 0 336.396 -1.520 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)n1cncn1 ZINC001043116183 673551299 /nfs/dbraw/zinc/55/12/99/673551299.db2.gz NLXHLBNYXAHHNO-VXGBXAGGSA-N 1 0 336.396 -1.520 20 0 EAADRO COc1cncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043116185 673551255 /nfs/dbraw/zinc/55/12/55/673551255.db2.gz NMOSZBUDPWVWSA-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1cncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043116186 673551342 /nfs/dbraw/zinc/55/13/42/673551342.db2.gz NMOSZBUDPWVWSA-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO COCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116222 673551198 /nfs/dbraw/zinc/55/11/98/673551198.db2.gz NTKBANCFSQQQRG-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116223 673551364 /nfs/dbraw/zinc/55/13/64/673551364.db2.gz NTKBANCFSQQQRG-OLZOCXBDSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116225 673551187 /nfs/dbraw/zinc/55/11/87/673551187.db2.gz NTKBANCFSQQQRG-QWHCGFSZSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116226 673551243 /nfs/dbraw/zinc/55/12/43/673551243.db2.gz NTKBANCFSQQQRG-STQMWFEESA-N 1 0 343.424 -1.321 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001043116450 673551635 /nfs/dbraw/zinc/55/16/35/673551635.db2.gz NTQLQCVWWOMUNX-JTQLQIEISA-N 1 0 335.364 -1.563 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001043116451 673551606 /nfs/dbraw/zinc/55/16/06/673551606.db2.gz NTQLQCVWWOMUNX-SNVBAGLBSA-N 1 0 335.364 -1.563 20 0 EAADRO Cc1ccn(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043116457 673551596 /nfs/dbraw/zinc/55/15/96/673551596.db2.gz NWZAJLFSCDSYMG-CYBMUJFWSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1ccn(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043116459 673551712 /nfs/dbraw/zinc/55/17/12/673551712.db2.gz NWZAJLFSCDSYMG-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO Cn1ccnc1CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116494 673551615 /nfs/dbraw/zinc/55/16/15/673551615.db2.gz OIVXSRFNDVOQIN-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccnc1CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116495 673551624 /nfs/dbraw/zinc/55/16/24/673551624.db2.gz OIVXSRFNDVOQIN-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CC3OCCCO3)C2)C1 ZINC001043116497 673551761 /nfs/dbraw/zinc/55/17/61/673551761.db2.gz OKLFKOOMSLORTO-GFCCVEGCSA-N 1 0 341.408 -1.219 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CC3OCCCO3)C2)C1 ZINC001043116498 673551723 /nfs/dbraw/zinc/55/17/23/673551723.db2.gz OKLFKOOMSLORTO-LBPRGKRZSA-N 1 0 341.408 -1.219 20 0 EAADRO Cc1cn(C)nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116503 673551602 /nfs/dbraw/zinc/55/16/02/673551602.db2.gz OLHNSQNNYYIRDV-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1cn(C)nc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116505 673551725 /nfs/dbraw/zinc/55/17/25/673551725.db2.gz OLHNSQNNYYIRDV-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nnn1C ZINC001043116512 673551640 /nfs/dbraw/zinc/55/16/40/673551640.db2.gz OMCQHOLTOFCRIT-LLVKDONJSA-N 1 0 336.396 -1.622 20 0 EAADRO Cc1c(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nnn1C ZINC001043116515 673551759 /nfs/dbraw/zinc/55/17/59/673551759.db2.gz OMCQHOLTOFCRIT-NSHDSACASA-N 1 0 336.396 -1.622 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3COC(=O)C3)C2)C1 ZINC001043116516 673551610 /nfs/dbraw/zinc/55/16/10/673551610.db2.gz OMQHCJSCOWGHEJ-NEPJUHHUSA-N 1 0 339.392 -1.419 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3COC(=O)C3)C2)C1 ZINC001043116518 673551529 /nfs/dbraw/zinc/55/15/29/673551529.db2.gz OMQHCJSCOWGHEJ-NWDGAFQWSA-N 1 0 339.392 -1.419 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3COC(=O)C3)C2)C1 ZINC001043116520 673551551 /nfs/dbraw/zinc/55/15/51/673551551.db2.gz OMQHCJSCOWGHEJ-RYUDHWBXSA-N 1 0 339.392 -1.419 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3COC(=O)C3)C2)C1 ZINC001043116521 673551671 /nfs/dbraw/zinc/55/16/71/673551671.db2.gz OMQHCJSCOWGHEJ-VXGBXAGGSA-N 1 0 339.392 -1.419 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043116537 673551702 /nfs/dbraw/zinc/55/17/02/673551702.db2.gz OQMOCNSVEJYSRE-GFCCVEGCSA-N 1 0 338.408 -1.894 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043116538 673551727 /nfs/dbraw/zinc/55/17/27/673551727.db2.gz OQMOCNSVEJYSRE-LBPRGKRZSA-N 1 0 338.408 -1.894 20 0 EAADRO Cn1nccc1CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116543 673551663 /nfs/dbraw/zinc/55/16/63/673551663.db2.gz ORGIDXFLYWOUNM-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116544 673551586 /nfs/dbraw/zinc/55/15/86/673551586.db2.gz ORGIDXFLYWOUNM-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3nnc[nH]3)C2)C1 ZINC001043116548 673551665 /nfs/dbraw/zinc/55/16/65/673551665.db2.gz ORTXMVIOMZTHDA-LLVKDONJSA-N 1 0 336.396 -1.622 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3nnc[nH]3)C2)C1 ZINC001043116550 673551691 /nfs/dbraw/zinc/55/16/91/673551691.db2.gz ORTXMVIOMZTHDA-NSHDSACASA-N 1 0 336.396 -1.622 20 0 EAADRO Cn1oc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043116558 673551652 /nfs/dbraw/zinc/55/16/52/673551652.db2.gz PDADMSNDOJMZPB-JTQLQIEISA-N 1 0 338.364 -1.767 20 0 EAADRO Cn1oc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043116559 673551679 /nfs/dbraw/zinc/55/16/79/673551679.db2.gz PDADMSNDOJMZPB-SNVBAGLBSA-N 1 0 338.364 -1.767 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncc1=O ZINC001043116564 668936404 /nfs/dbraw/zinc/93/64/04/668936404.db2.gz PDJQMLBFGYYXEV-LLVKDONJSA-N 1 0 349.391 -1.965 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ncc1=O ZINC001043116565 668936222 /nfs/dbraw/zinc/93/62/22/668936222.db2.gz PDJQMLBFGYYXEV-NSHDSACASA-N 1 0 349.391 -1.965 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043116580 673551578 /nfs/dbraw/zinc/55/15/78/673551578.db2.gz PPKHMLIPSYGSOX-GFCCVEGCSA-N 1 0 335.408 -1.098 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043116581 673551541 /nfs/dbraw/zinc/55/15/41/673551541.db2.gz PPKHMLIPSYGSOX-LBPRGKRZSA-N 1 0 335.408 -1.098 20 0 EAADRO CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116697 673551535 /nfs/dbraw/zinc/55/15/35/673551535.db2.gz PRJPYZPDXZXTOI-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116698 673551774 /nfs/dbraw/zinc/55/17/74/673551774.db2.gz PRJPYZPDXZXTOI-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO COc1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC001043116714 673551479 /nfs/dbraw/zinc/55/14/79/673551479.db2.gz PTQGNWUXFLXZNP-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1cnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC001043116715 673551495 /nfs/dbraw/zinc/55/14/95/673551495.db2.gz PTQGNWUXFLXZNP-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1N ZINC001043116735 673551509 /nfs/dbraw/zinc/55/15/09/673551509.db2.gz QDDRZVPPZNTSBG-JTQLQIEISA-N 1 0 336.396 -1.743 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1N ZINC001043116736 673551783 /nfs/dbraw/zinc/55/17/83/673551783.db2.gz QDDRZVPPZNTSBG-SNVBAGLBSA-N 1 0 336.396 -1.743 20 0 EAADRO COc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001043116753 673551731 /nfs/dbraw/zinc/55/17/31/673551731.db2.gz QHOUJHGLOZYAPI-JTQLQIEISA-N 1 0 338.364 -1.062 20 0 EAADRO COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001043116755 673551648 /nfs/dbraw/zinc/55/16/48/673551648.db2.gz QHOUJHGLOZYAPI-SNVBAGLBSA-N 1 0 338.364 -1.062 20 0 EAADRO Cc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116768 673551747 /nfs/dbraw/zinc/55/17/47/673551747.db2.gz QLUGTMFWWCYOKH-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116769 673551771 /nfs/dbraw/zinc/55/17/71/673551771.db2.gz QLUGTMFWWCYOKH-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001043116771 673551736 /nfs/dbraw/zinc/55/17/36/673551736.db2.gz QMEKNGZYXRWDOF-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001043116772 673551687 /nfs/dbraw/zinc/55/16/87/673551687.db2.gz QMEKNGZYXRWDOF-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001043116774 673551780 /nfs/dbraw/zinc/55/17/80/673551780.db2.gz QMEKNGZYXRWDOF-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001043116775 673551593 /nfs/dbraw/zinc/55/15/93/673551593.db2.gz QMEKNGZYXRWDOF-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001043116817 673551708 /nfs/dbraw/zinc/55/17/08/673551708.db2.gz RBTLEDMOCKPXOA-JTQLQIEISA-N 1 0 339.396 -2.172 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001043116818 673551608 /nfs/dbraw/zinc/55/16/08/673551608.db2.gz RBTLEDMOCKPXOA-SNVBAGLBSA-N 1 0 339.396 -2.172 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001043117023 673551557 /nfs/dbraw/zinc/55/15/57/673551557.db2.gz RMSRLKYJKPGIFW-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001043117024 673551675 /nfs/dbraw/zinc/55/16/75/673551675.db2.gz RMSRLKYJKPGIFW-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001043117026 673551655 /nfs/dbraw/zinc/55/16/55/673551655.db2.gz RMSRLKYJKPGIFW-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001043117027 673551573 /nfs/dbraw/zinc/55/15/73/673551573.db2.gz RMSRLKYJKPGIFW-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO Cn1nccc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043117046 673551515 /nfs/dbraw/zinc/55/15/15/673551515.db2.gz RYRMDPVYVNYQFZ-GFCCVEGCSA-N 1 0 335.408 -1.396 20 0 EAADRO Cn1nccc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043117047 673551612 /nfs/dbraw/zinc/55/16/12/673551612.db2.gz RYRMDPVYVNYQFZ-LBPRGKRZSA-N 1 0 335.408 -1.396 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001043117056 673551487 /nfs/dbraw/zinc/55/14/87/673551487.db2.gz SFBCIQRCHTWGIR-NXEZZACHSA-N 1 0 326.353 -2.264 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001043117058 673551658 /nfs/dbraw/zinc/55/16/58/673551658.db2.gz SFBCIQRCHTWGIR-UWVGGRQHSA-N 1 0 326.353 -2.264 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001043117059 673551683 /nfs/dbraw/zinc/55/16/83/673551683.db2.gz SFBCIQRCHTWGIR-VHSXEESVSA-N 1 0 326.353 -2.264 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001043117060 673551764 /nfs/dbraw/zinc/55/17/64/673551764.db2.gz SFBCIQRCHTWGIR-ZJUUUORDSA-N 1 0 326.353 -2.264 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC001043117109 673551522 /nfs/dbraw/zinc/55/15/22/673551522.db2.gz TVKAMRLSVDOXHS-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC001043117110 673551631 /nfs/dbraw/zinc/55/16/31/673551631.db2.gz TVKAMRLSVDOXHS-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC001043117112 673551501 /nfs/dbraw/zinc/55/15/01/673551501.db2.gz TVKAMRLSVDOXHS-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC001043117114 673551741 /nfs/dbraw/zinc/55/17/41/673551741.db2.gz TVKAMRLSVDOXHS-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO COc1nccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043117116 673552200 /nfs/dbraw/zinc/55/22/00/673552200.db2.gz TWKMPDXJMQXPSO-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1nccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043117118 673552011 /nfs/dbraw/zinc/55/20/11/673552011.db2.gz TWKMPDXJMQXPSO-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO Cn1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001043117138 673552030 /nfs/dbraw/zinc/55/20/30/673552030.db2.gz UBZFDHOTAIOZQB-LLVKDONJSA-N 1 0 349.391 -1.965 20 0 EAADRO Cn1nc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001043117140 673552082 /nfs/dbraw/zinc/55/20/82/673552082.db2.gz UBZFDHOTAIOZQB-NSHDSACASA-N 1 0 349.391 -1.965 20 0 EAADRO Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]n1 ZINC001043117415 673552024 /nfs/dbraw/zinc/55/20/24/673552024.db2.gz UUNSZRJBZQRVGJ-GFCCVEGCSA-N 1 0 335.408 -1.098 20 0 EAADRO Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]n1 ZINC001043117420 673551990 /nfs/dbraw/zinc/55/19/90/673551990.db2.gz UUNSZRJBZQRVGJ-LBPRGKRZSA-N 1 0 335.408 -1.098 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3ccccc3=O)C2)C1 ZINC001043117426 673552022 /nfs/dbraw/zinc/55/20/22/673552022.db2.gz UXBIBFCKOUDRQA-CYBMUJFWSA-N 1 0 348.403 -1.511 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3ccccc3=O)C2)C1 ZINC001043117432 673552108 /nfs/dbraw/zinc/55/21/08/673552108.db2.gz UXBIBFCKOUDRQA-ZDUSSCGKSA-N 1 0 348.403 -1.511 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3ncc[nH]3)C2)C1 ZINC001043117541 673551946 /nfs/dbraw/zinc/55/19/46/673551946.db2.gz VHHSYXDGGZSCTF-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3ncc[nH]3)C2)C1 ZINC001043117547 673552084 /nfs/dbraw/zinc/55/20/84/673552084.db2.gz VHHSYXDGGZSCTF-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001043117553 673552237 /nfs/dbraw/zinc/55/22/37/673552237.db2.gz VJAZTOKBZNBSRV-JTQLQIEISA-N 1 0 335.364 -1.975 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001043117559 673552227 /nfs/dbraw/zinc/55/22/27/673552227.db2.gz VJAZTOKBZNBSRV-SNVBAGLBSA-N 1 0 335.364 -1.975 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCNC(N)=O)C2)C1 ZINC001043117618 673552076 /nfs/dbraw/zinc/55/20/76/673552076.db2.gz WADNSGWNINDKEH-JTQLQIEISA-N 1 0 327.385 -2.314 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCNC(N)=O)C2)C1 ZINC001043117620 673552096 /nfs/dbraw/zinc/55/20/96/673552096.db2.gz WADNSGWNINDKEH-SNVBAGLBSA-N 1 0 327.385 -2.314 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001043117636 673552026 /nfs/dbraw/zinc/55/20/26/673552026.db2.gz WHNSOTVIPWDZQD-JTQLQIEISA-N 1 0 335.364 -1.563 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001043117638 673552017 /nfs/dbraw/zinc/55/20/17/673552017.db2.gz WHNSOTVIPWDZQD-SNVBAGLBSA-N 1 0 335.364 -1.563 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001043117669 673551985 /nfs/dbraw/zinc/55/19/85/673551985.db2.gz WMLNCAXBDPFJIM-LLVKDONJSA-N 1 0 337.380 -1.438 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001043117670 673552140 /nfs/dbraw/zinc/55/21/40/673552140.db2.gz WMLNCAXBDPFJIM-NSHDSACASA-N 1 0 337.380 -1.438 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043117673 673552039 /nfs/dbraw/zinc/55/20/39/673552039.db2.gz WOXQJQHNAFCJBF-GFCCVEGCSA-N 1 0 329.397 -1.709 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043117674 673552187 /nfs/dbraw/zinc/55/21/87/673552187.db2.gz WOXQJQHNAFCJBF-LBPRGKRZSA-N 1 0 329.397 -1.709 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043117859 673552073 /nfs/dbraw/zinc/55/20/73/673552073.db2.gz AONVMPLRNGZIJI-JTQLQIEISA-N 1 0 348.425 -2.823 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043117861 673552056 /nfs/dbraw/zinc/55/20/56/673552056.db2.gz AONVMPLRNGZIJI-SNVBAGLBSA-N 1 0 348.425 -2.823 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043117893 673551981 /nfs/dbraw/zinc/55/19/81/673551981.db2.gz BAPIBHQIABWKTH-JTQLQIEISA-N 1 0 327.385 -2.443 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043117895 673551968 /nfs/dbraw/zinc/55/19/68/673551968.db2.gz BAPIBHQIABWKTH-SNVBAGLBSA-N 1 0 327.385 -2.443 20 0 EAADRO Cc1ccnn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043117907 673552004 /nfs/dbraw/zinc/55/20/04/673552004.db2.gz BNINOFLCTMABRW-CYBMUJFWSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1ccnn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043117910 673552032 /nfs/dbraw/zinc/55/20/32/673552032.db2.gz BNINOFLCTMABRW-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118052 673551992 /nfs/dbraw/zinc/55/19/92/673551992.db2.gz DSDFSDQCJQESDK-LLVKDONJSA-N 1 0 347.437 -1.938 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118056 673552045 /nfs/dbraw/zinc/55/20/45/673552045.db2.gz DSDFSDQCJQESDK-NSHDSACASA-N 1 0 347.437 -1.938 20 0 EAADRO Cc1cc(=O)c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c[nH]1 ZINC001043118195 673552007 /nfs/dbraw/zinc/55/20/07/673552007.db2.gz XMFYZTLHQSCDHW-GFCCVEGCSA-N 1 0 348.403 -1.062 20 0 EAADRO Cc1cc(=O)c(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c[nH]1 ZINC001043118197 673552061 /nfs/dbraw/zinc/55/20/61/673552061.db2.gz XMFYZTLHQSCDHW-LBPRGKRZSA-N 1 0 348.403 -1.062 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC001043118210 673552135 /nfs/dbraw/zinc/55/21/35/673552135.db2.gz XPPVISOJISADKB-SECBINFHSA-N 1 0 325.344 -1.196 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC001043118212 673552244 /nfs/dbraw/zinc/55/22/44/673552244.db2.gz XPPVISOJISADKB-VIFPVBQESA-N 1 0 325.344 -1.196 20 0 EAADRO Cn1cccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1=O ZINC001043118305 673552037 /nfs/dbraw/zinc/55/20/37/673552037.db2.gz YPOJGPXDEYQSMK-GFCCVEGCSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1cccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1=O ZINC001043118307 673552191 /nfs/dbraw/zinc/55/21/91/673552191.db2.gz YPOJGPXDEYQSMK-LBPRGKRZSA-N 1 0 348.403 -1.360 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3cn[nH]c3)C2)C1 ZINC001043118312 673552048 /nfs/dbraw/zinc/55/20/48/673552048.db2.gz FDSNDFWUPUXFEG-CYBMUJFWSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3cn[nH]c3)C2)C1 ZINC001043118314 673552043 /nfs/dbraw/zinc/55/20/43/673552043.db2.gz FDSNDFWUPUXFEG-ZDUSSCGKSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001043118342 673552035 /nfs/dbraw/zinc/55/20/35/673552035.db2.gz FRMOHLCWGIXAIG-SECBINFHSA-N 1 0 348.350 -1.991 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001043118343 673552069 /nfs/dbraw/zinc/55/20/69/673552069.db2.gz FRMOHLCWGIXAIG-VIFPVBQESA-N 1 0 348.350 -1.991 20 0 EAADRO COCCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118417 673552169 /nfs/dbraw/zinc/55/21/69/673552169.db2.gz HFDVZULHVXZCRJ-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118418 673552253 /nfs/dbraw/zinc/55/22/53/673552253.db2.gz HFDVZULHVXZCRJ-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO Cn1cncc1CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118486 673552516 /nfs/dbraw/zinc/55/25/16/673552516.db2.gz ZEURZIJUBMEDEM-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118487 673552431 /nfs/dbraw/zinc/55/24/31/673552431.db2.gz ZEURZIJUBMEDEM-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCCCC(N)=O)C2)C1 ZINC001043118521 673552440 /nfs/dbraw/zinc/55/24/40/673552440.db2.gz ZKHLBKOUETVMMX-GFCCVEGCSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCCCC(N)=O)C2)C1 ZINC001043118523 673552507 /nfs/dbraw/zinc/55/25/07/673552507.db2.gz ZKHLBKOUETVMMX-LBPRGKRZSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC001043118529 673552746 /nfs/dbraw/zinc/55/27/46/673552746.db2.gz ZLTIBXZSDNPMRV-JTQLQIEISA-N 1 0 349.391 -1.632 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC001043118531 673552719 /nfs/dbraw/zinc/55/27/19/673552719.db2.gz ZLTIBXZSDNPMRV-SNVBAGLBSA-N 1 0 349.391 -1.632 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118582 673552551 /nfs/dbraw/zinc/55/25/51/673552551.db2.gz ZXMKQKXZXRWCRO-CHWSQXEVSA-N 1 0 340.424 -2.042 20 0 EAADRO CN1CCO[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118583 673552450 /nfs/dbraw/zinc/55/24/50/673552450.db2.gz ZXMKQKXZXRWCRO-OLZOCXBDSA-N 1 0 340.424 -2.042 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118585 673552818 /nfs/dbraw/zinc/55/28/18/673552818.db2.gz ZXMKQKXZXRWCRO-QWHCGFSZSA-N 1 0 340.424 -2.042 20 0 EAADRO CN1CCO[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118586 673552767 /nfs/dbraw/zinc/55/27/67/673552767.db2.gz ZXMKQKXZXRWCRO-STQMWFEESA-N 1 0 340.424 -2.042 20 0 EAADRO CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001043118590 673552670 /nfs/dbraw/zinc/55/26/70/673552670.db2.gz ZZTSTCNPCJRRBM-LLVKDONJSA-N 1 0 336.396 -1.447 20 0 EAADRO CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001043118591 673552423 /nfs/dbraw/zinc/55/24/23/673552423.db2.gz ZZTSTCNPCJRRBM-NSHDSACASA-N 1 0 336.396 -1.447 20 0 EAADRO Cc1nn(C)cc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118669 673552790 /nfs/dbraw/zinc/55/27/90/673552790.db2.gz IUAVYDJKQYYJFR-CYBMUJFWSA-N 1 0 349.435 -1.088 20 0 EAADRO Cc1nn(C)cc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118670 673552765 /nfs/dbraw/zinc/55/27/65/673552765.db2.gz IUAVYDJKQYYJFR-ZDUSSCGKSA-N 1 0 349.435 -1.088 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCCC(N)=O)C2)C1 ZINC001043118776 673552544 /nfs/dbraw/zinc/55/25/44/673552544.db2.gz KOENEVHFLWGVCA-LLVKDONJSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCCC(N)=O)C2)C1 ZINC001043118777 673552475 /nfs/dbraw/zinc/55/24/75/673552475.db2.gz KOENEVHFLWGVCA-NSHDSACASA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC001043118791 673552661 /nfs/dbraw/zinc/55/26/61/673552661.db2.gz KXOZTMUJRYNJIX-ABAIWWIYSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC001043118792 673552676 /nfs/dbraw/zinc/55/26/76/673552676.db2.gz KXOZTMUJRYNJIX-IAQYHMDHSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC001043118793 673552758 /nfs/dbraw/zinc/55/27/58/673552758.db2.gz KXOZTMUJRYNJIX-NHYWBVRUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC001043118794 673552712 /nfs/dbraw/zinc/55/27/12/673552712.db2.gz KXOZTMUJRYNJIX-XHDPSFHLSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001043118838 673552438 /nfs/dbraw/zinc/55/24/38/673552438.db2.gz MIARUMOCWMYPLG-JTQLQIEISA-N 1 0 349.391 -1.632 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001043118839 673552611 /nfs/dbraw/zinc/55/26/11/673552611.db2.gz MIARUMOCWMYPLG-SNVBAGLBSA-N 1 0 349.391 -1.632 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118842 673552481 /nfs/dbraw/zinc/55/24/81/673552481.db2.gz MNDJNRVOHVWUFD-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118843 673552461 /nfs/dbraw/zinc/55/24/61/673552461.db2.gz MNDJNRVOHVWUFD-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118844 673552427 /nfs/dbraw/zinc/55/24/27/673552427.db2.gz MNDJNRVOHVWUFD-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118845 673552777 /nfs/dbraw/zinc/55/27/77/673552777.db2.gz MNDJNRVOHVWUFD-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118855 673552829 /nfs/dbraw/zinc/55/28/29/673552829.db2.gz MUZIZYJGZUZKNL-LLVKDONJSA-N 1 0 326.397 -1.894 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118856 673552537 /nfs/dbraw/zinc/55/25/37/673552537.db2.gz MUZIZYJGZUZKNL-NSHDSACASA-N 1 0 326.397 -1.894 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3csnn3)C2)C1 ZINC001043118858 673552762 /nfs/dbraw/zinc/55/27/62/673552762.db2.gz MYYHALDGWQFBQU-SECBINFHSA-N 1 0 325.394 -1.207 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3csnn3)C2)C1 ZINC001043118859 673552812 /nfs/dbraw/zinc/55/28/12/673552812.db2.gz MYYHALDGWQFBQU-VIFPVBQESA-N 1 0 325.394 -1.207 20 0 EAADRO Cc1cncn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118914 673552794 /nfs/dbraw/zinc/55/27/94/673552794.db2.gz OUUAMBTWUWOXAH-CYBMUJFWSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1cncn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118915 673552782 /nfs/dbraw/zinc/55/27/82/673552782.db2.gz OUUAMBTWUWOXAH-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCn3ccnc3)C2)C1 ZINC001043118946 673552578 /nfs/dbraw/zinc/55/25/78/673552578.db2.gz PJGYNKXJFUFYKK-CYBMUJFWSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCn3ccnc3)C2)C1 ZINC001043118947 673552492 /nfs/dbraw/zinc/55/24/92/673552492.db2.gz PJGYNKXJFUFYKK-ZDUSSCGKSA-N 1 0 335.408 -1.086 20 0 EAADRO COc1nc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)co1 ZINC001043118969 673553178 /nfs/dbraw/zinc/55/31/78/673553178.db2.gz QDAFNGKOAOMOME-JTQLQIEISA-N 1 0 338.364 -1.062 20 0 EAADRO COc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)co1 ZINC001043118970 673553057 /nfs/dbraw/zinc/55/30/57/673553057.db2.gz QDAFNGKOAOMOME-SNVBAGLBSA-N 1 0 338.364 -1.062 20 0 EAADRO Cn1cc(CCC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001043119001 673553063 /nfs/dbraw/zinc/55/30/63/673553063.db2.gz RFPHJFUFROJPRI-AWEZNQCLSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CCC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001043119002 673553102 /nfs/dbraw/zinc/55/31/02/673553102.db2.gz RFPHJFUFROJPRI-CQSZACIVSA-N 1 0 349.435 -1.006 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001043119020 673553201 /nfs/dbraw/zinc/55/32/01/673553201.db2.gz RUTCUZYQSKEHDE-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001043119021 673553068 /nfs/dbraw/zinc/55/30/68/673553068.db2.gz RUTCUZYQSKEHDE-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001043119046 673553153 /nfs/dbraw/zinc/55/31/53/673553153.db2.gz SNLYHIHNKSGKIE-CYBMUJFWSA-N 1 0 349.435 -1.088 20 0 EAADRO Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001043119047 673553129 /nfs/dbraw/zinc/55/31/29/673553129.db2.gz SNLYHIHNKSGKIE-ZDUSSCGKSA-N 1 0 349.435 -1.088 20 0 EAADRO CCOCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043119091 673553252 /nfs/dbraw/zinc/55/32/52/673553252.db2.gz UUHANROVNGKJJV-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO CCOCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043119092 673553019 /nfs/dbraw/zinc/55/30/19/673553019.db2.gz UUHANROVNGKJJV-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO Cc1nccn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043119108 673553033 /nfs/dbraw/zinc/55/30/33/673553033.db2.gz VDHFSGWJXPZOEH-CYBMUJFWSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1nccn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043119109 673553092 /nfs/dbraw/zinc/55/30/92/673553092.db2.gz VDHFSGWJXPZOEH-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC001043119142 673553189 /nfs/dbraw/zinc/55/31/89/673553189.db2.gz WQYVNEPJRUJVJH-CYBMUJFWSA-N 1 0 348.403 -1.029 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC001043119143 673553219 /nfs/dbraw/zinc/55/32/19/673553219.db2.gz WQYVNEPJRUJVJH-ZDUSSCGKSA-N 1 0 348.403 -1.029 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001043119240 673553192 /nfs/dbraw/zinc/55/31/92/673553192.db2.gz XWSDMNPNXHLLJI-LLVKDONJSA-N 1 0 349.391 -1.470 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001043119243 673553170 /nfs/dbraw/zinc/55/31/70/673553170.db2.gz XWSDMNPNXHLLJI-NSHDSACASA-N 1 0 349.391 -1.470 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1=O ZINC001043119298 673553173 /nfs/dbraw/zinc/55/31/73/673553173.db2.gz YLPIHYYCCFZYPY-NEPJUHHUSA-N 1 0 338.408 -1.894 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1=O ZINC001043119300 673553195 /nfs/dbraw/zinc/55/31/95/673553195.db2.gz YLPIHYYCCFZYPY-NWDGAFQWSA-N 1 0 338.408 -1.894 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1=O ZINC001043119302 673553163 /nfs/dbraw/zinc/55/31/63/673553163.db2.gz YLPIHYYCCFZYPY-RYUDHWBXSA-N 1 0 338.408 -1.894 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1=O ZINC001043119304 673553228 /nfs/dbraw/zinc/55/32/28/673553228.db2.gz YLPIHYYCCFZYPY-VXGBXAGGSA-N 1 0 338.408 -1.894 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)COCC(F)F)C2)C1 ZINC001043119328 673553144 /nfs/dbraw/zinc/55/31/44/673553144.db2.gz YWYBECOLUJGMCR-JTQLQIEISA-N 1 0 335.351 -1.091 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)COCC(F)F)C2)C1 ZINC001043119330 673553249 /nfs/dbraw/zinc/55/32/49/673553249.db2.gz YWYBECOLUJGMCR-SNVBAGLBSA-N 1 0 335.351 -1.091 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043119590 673553235 /nfs/dbraw/zinc/55/32/35/673553235.db2.gz AAGBWCRTYLWDDL-LLVKDONJSA-N 1 0 349.391 -1.965 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043119591 673553030 /nfs/dbraw/zinc/55/30/30/673553030.db2.gz AAGBWCRTYLWDDL-NSHDSACASA-N 1 0 349.391 -1.965 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001043119833 673553555 /nfs/dbraw/zinc/55/35/55/673553555.db2.gz DQBREAMCAXKWIT-NEPJUHHUSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001043119834 673553527 /nfs/dbraw/zinc/55/35/27/673553527.db2.gz DQBREAMCAXKWIT-NWDGAFQWSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001043119835 673553537 /nfs/dbraw/zinc/55/35/37/673553537.db2.gz DQBREAMCAXKWIT-RYUDHWBXSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001043119836 673553595 /nfs/dbraw/zinc/55/35/95/673553595.db2.gz DQBREAMCAXKWIT-VXGBXAGGSA-N 1 0 335.408 -1.079 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043119995 673553613 /nfs/dbraw/zinc/55/36/13/673553613.db2.gz HXGMCVQWSNNXOT-LLVKDONJSA-N 1 0 349.391 -1.255 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043119997 673553625 /nfs/dbraw/zinc/55/36/25/673553625.db2.gz HXGMCVQWSNNXOT-NSHDSACASA-N 1 0 349.391 -1.255 20 0 EAADRO Cn1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043120009 673553621 /nfs/dbraw/zinc/55/36/21/673553621.db2.gz IEYIULZAZRGMRA-CYBMUJFWSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043120011 673553546 /nfs/dbraw/zinc/55/35/46/673553546.db2.gz IEYIULZAZRGMRA-ZDUSSCGKSA-N 1 0 348.403 -1.360 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043120028 673553441 /nfs/dbraw/zinc/55/34/41/673553441.db2.gz IKABKLBVDPJXGR-GHMZBOCLSA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043120030 673553514 /nfs/dbraw/zinc/55/35/14/673553514.db2.gz IKABKLBVDPJXGR-MNOVXSKESA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043120031 673553560 /nfs/dbraw/zinc/55/35/60/673553560.db2.gz IKABKLBVDPJXGR-QWRGUYRKSA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043120033 673553508 /nfs/dbraw/zinc/55/35/08/673553508.db2.gz IKABKLBVDPJXGR-WDEREUQCSA-N 1 0 347.437 -1.939 20 0 EAADRO Cc1cnn(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043120207 673553543 /nfs/dbraw/zinc/55/35/43/673553543.db2.gz LFDQXSJKYMMPBY-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1cnn(C)c1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043120208 673553486 /nfs/dbraw/zinc/55/34/86/673553486.db2.gz LFDQXSJKYMMPBY-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)NC1=O ZINC001043120258 673553589 /nfs/dbraw/zinc/55/35/89/673553589.db2.gz LWGIIRZKVYHYGT-GHMZBOCLSA-N 1 0 339.396 -2.349 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)NC1=O ZINC001043120262 673553498 /nfs/dbraw/zinc/55/34/98/673553498.db2.gz LWGIIRZKVYHYGT-MNOVXSKESA-N 1 0 339.396 -2.349 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)NC1=O ZINC001043120265 673553431 /nfs/dbraw/zinc/55/34/31/673553431.db2.gz LWGIIRZKVYHYGT-QWRGUYRKSA-N 1 0 339.396 -2.349 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)NC1=O ZINC001043120268 673553478 /nfs/dbraw/zinc/55/34/78/673553478.db2.gz LWGIIRZKVYHYGT-WDEREUQCSA-N 1 0 339.396 -2.349 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC001043120336 673553602 /nfs/dbraw/zinc/55/36/02/673553602.db2.gz NBCYZYGOYYJQSV-ABAIWWIYSA-N 1 0 329.372 -1.244 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC001043120338 673553456 /nfs/dbraw/zinc/55/34/56/673553456.db2.gz NBCYZYGOYYJQSV-IAQYHMDHSA-N 1 0 329.372 -1.244 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC001043120339 673553531 /nfs/dbraw/zinc/55/35/31/673553531.db2.gz NBCYZYGOYYJQSV-NHYWBVRUSA-N 1 0 329.372 -1.244 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC001043120342 673553640 /nfs/dbraw/zinc/55/36/40/673553640.db2.gz NBCYZYGOYYJQSV-XHDPSFHLSA-N 1 0 329.372 -1.244 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043120507 673553573 /nfs/dbraw/zinc/55/35/73/673553573.db2.gz OMYXCAKVDWBYHG-NEPJUHHUSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043120508 673553608 /nfs/dbraw/zinc/55/36/08/673553608.db2.gz OMYXCAKVDWBYHG-NWDGAFQWSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043120509 673553566 /nfs/dbraw/zinc/55/35/66/673553566.db2.gz OMYXCAKVDWBYHG-RYUDHWBXSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043120510 673553472 /nfs/dbraw/zinc/55/34/72/673553472.db2.gz OMYXCAKVDWBYHG-VXGBXAGGSA-N 1 0 338.408 -1.752 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCS(C)(=O)=O)C2)C1 ZINC001043120512 673553550 /nfs/dbraw/zinc/55/35/50/673553550.db2.gz OOAGJGANFNKNGF-LLVKDONJSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCS(C)(=O)=O)C2)C1 ZINC001043120513 673553824 /nfs/dbraw/zinc/55/38/24/673553824.db2.gz OOAGJGANFNKNGF-NSHDSACASA-N 1 0 347.437 -1.938 20 0 EAADRO Cn1c(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c[nH]c1=O ZINC001043120547 673553887 /nfs/dbraw/zinc/55/38/87/673553887.db2.gz PMYSMILYABTDAX-JTQLQIEISA-N 1 0 337.380 -1.620 20 0 EAADRO Cn1c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c[nH]c1=O ZINC001043120548 673553972 /nfs/dbraw/zinc/55/39/72/673553972.db2.gz PMYSMILYABTDAX-SNVBAGLBSA-N 1 0 337.380 -1.620 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001043120581 673553742 /nfs/dbraw/zinc/55/37/42/673553742.db2.gz QAZFANKMUPFECO-UHFFFAOYSA-N 1 0 339.396 -1.699 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043120903 673553847 /nfs/dbraw/zinc/55/38/47/673553847.db2.gz QVENBKQBDQUVEV-AVGNSLFASA-N 1 0 341.408 -1.569 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043120904 673553872 /nfs/dbraw/zinc/55/38/72/673553872.db2.gz QVENBKQBDQUVEV-XQQFMLRXSA-N 1 0 341.408 -1.569 20 0 EAADRO Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1C ZINC001043120971 673553994 /nfs/dbraw/zinc/55/39/94/673553994.db2.gz SIIUZTBWBVOSGE-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1C ZINC001043120972 673553764 /nfs/dbraw/zinc/55/37/64/673553764.db2.gz SIIUZTBWBVOSGE-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001043121217 673553983 /nfs/dbraw/zinc/55/39/83/673553983.db2.gz XRVJWMHCFJDQKD-UHFFFAOYSA-N 1 0 333.392 -1.181 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043121225 673553783 /nfs/dbraw/zinc/55/37/83/673553783.db2.gz XSAIALNFIDYBHQ-GHMZBOCLSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043121231 673553811 /nfs/dbraw/zinc/55/38/11/673553811.db2.gz XSAIALNFIDYBHQ-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043121236 673553906 /nfs/dbraw/zinc/55/39/06/673553906.db2.gz XSAIALNFIDYBHQ-QWRGUYRKSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043121242 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Cc1cnn(CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001043123247 673554227 /nfs/dbraw/zinc/55/42/27/673554227.db2.gz AOBCKLSVWLSUBZ-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2cnns2)C1 ZINC001043123280 673554158 /nfs/dbraw/zinc/55/41/58/673554158.db2.gz AWYSBLVWXZPANB-UHFFFAOYSA-N 1 0 325.394 -1.063 20 0 EAADRO Cn1nccc1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123301 673554362 /nfs/dbraw/zinc/55/43/62/673554362.db2.gz BCWMYMBTFZQAPG-UHFFFAOYSA-N 1 0 335.408 -1.252 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001043123324 673554392 /nfs/dbraw/zinc/55/43/92/673554392.db2.gz BQHIGRXYBKPUQA-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123348 673554243 /nfs/dbraw/zinc/55/42/43/673554243.db2.gz BQYIWNDLXMWONA-UHFFFAOYSA-N 1 0 326.397 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001043123354 673554194 /nfs/dbraw/zinc/55/41/94/673554194.db2.gz 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ZINC001043123425 673554100 /nfs/dbraw/zinc/55/41/00/673554100.db2.gz DGYOPTBTZCKNHS-UHFFFAOYSA-N 1 0 329.397 -1.565 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123457 673554401 /nfs/dbraw/zinc/55/44/01/673554401.db2.gz DPWRZLHEGUUSHY-JTQLQIEISA-N 1 0 327.385 -2.172 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123459 673554211 /nfs/dbraw/zinc/55/42/11/673554211.db2.gz DQXMPOGTCDIELP-CYBMUJFWSA-N 1 0 340.424 -1.898 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123462 673554320 /nfs/dbraw/zinc/55/43/20/673554320.db2.gz DQXMPOGTCDIELP-ZDUSSCGKSA-N 1 0 340.424 -1.898 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043123464 673554373 /nfs/dbraw/zinc/55/43/73/673554373.db2.gz DREMJBGIIRCKQY-GFCCVEGCSA-N 1 0 338.408 -1.560 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043123467 673554221 /nfs/dbraw/zinc/55/42/21/673554221.db2.gz DREMJBGIIRCKQY-LBPRGKRZSA-N 1 0 338.408 -1.560 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CCn2cncn2)C1 ZINC001043123469 673554108 /nfs/dbraw/zinc/55/41/08/673554108.db2.gz DRQGVTCLYSFDSB-UHFFFAOYSA-N 1 0 336.396 -1.547 20 0 EAADRO Cc1nonc1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123475 673554274 /nfs/dbraw/zinc/55/42/74/673554274.db2.gz DUBDYZSMTJYKEK-UHFFFAOYSA-N 1 0 337.380 -1.294 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CCn2ccnn2)C1 ZINC001043123559 673554368 /nfs/dbraw/zinc/55/43/68/673554368.db2.gz FHNBEPLWHKRVAK-UHFFFAOYSA-N 1 0 336.396 -1.547 20 0 EAADRO CNC(=O)NCCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123591 673554324 /nfs/dbraw/zinc/55/43/24/673554324.db2.gz FWLRDGHRPBEHJE-UHFFFAOYSA-N 1 0 341.412 -1.909 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001043123631 673554163 /nfs/dbraw/zinc/55/41/63/673554163.db2.gz GIPWAZITFCLVNS-GFCCVEGCSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001043123634 673554150 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O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2cnsn2)C1 ZINC001043123872 673554420 /nfs/dbraw/zinc/55/44/20/673554420.db2.gz JOEGDWSIJRLEKZ-UHFFFAOYSA-N 1 0 325.394 -1.063 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CC2OCCCO2)C1 ZINC001043123900 673554135 /nfs/dbraw/zinc/55/41/35/673554135.db2.gz KATHVVMNLNUFCR-UHFFFAOYSA-N 1 0 341.408 -1.075 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CN2CCOCC2)C1 ZINC001043124017 673554169 /nfs/dbraw/zinc/55/41/69/673554169.db2.gz KSTGAQDVDPNFAL-UHFFFAOYSA-N 1 0 340.424 -1.896 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 ZINC001043124057 673554331 /nfs/dbraw/zinc/55/43/31/673554331.db2.gz LCPJNULQALQRFK-UHFFFAOYSA-N 1 0 338.408 -1.702 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)c1N ZINC001043124067 673554302 /nfs/dbraw/zinc/55/43/02/673554302.db2.gz LJGAVTMCOPPMBY-UHFFFAOYSA-N 1 0 336.396 -1.599 20 0 EAADRO CCn1ncc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001043124077 673554382 /nfs/dbraw/zinc/55/43/82/673554382.db2.gz MAEXPWSAPJRPMX-UHFFFAOYSA-N 1 0 336.396 -1.303 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)Cc2cncnc2)C1 ZINC001043124080 673554263 /nfs/dbraw/zinc/55/42/63/673554263.db2.gz MBHPRSRLMPJJBM-UHFFFAOYSA-N 1 0 333.392 -1.196 20 0 EAADRO C[C@H](CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)NC(N)=O ZINC001043124167 673554356 /nfs/dbraw/zinc/55/43/56/673554356.db2.gz MQGRZQAYDYTASK-LLVKDONJSA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@@H](CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)NC(N)=O ZINC001043124169 673554105 /nfs/dbraw/zinc/55/41/05/673554105.db2.gz MQGRZQAYDYTASK-NSHDSACASA-N 1 0 341.412 -1.781 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001043124178 673554123 /nfs/dbraw/zinc/55/41/23/673554123.db2.gz MTTRSMCUQOKMOI-JTQLQIEISA-N 1 0 326.353 -2.120 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001043124179 673554257 /nfs/dbraw/zinc/55/42/57/673554257.db2.gz MTTRSMCUQOKMOI-SNVBAGLBSA-N 1 0 326.353 -2.120 20 0 EAADRO 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ZINC001043124552 673554416 /nfs/dbraw/zinc/55/44/16/673554416.db2.gz RQUCHIOYWXZOSY-ZDUSSCGKSA-N 1 0 341.408 -1.423 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)ccc1=O ZINC001043124576 673554411 /nfs/dbraw/zinc/55/44/11/673554411.db2.gz RTDHVUOOABTXPU-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO Cn1cc(CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001043124594 673554234 /nfs/dbraw/zinc/55/42/34/673554234.db2.gz RUUWBMHYSGDQHX-UHFFFAOYSA-N 1 0 335.408 -1.252 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124599 673554328 /nfs/dbraw/zinc/55/43/28/673554328.db2.gz RYLVXMBZHSXBME-UHFFFAOYSA-N 1 0 328.369 -1.872 20 0 EAADRO Cn1ccc(CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001043124611 673554183 /nfs/dbraw/zinc/55/41/83/673554183.db2.gz RZOWCWIYGRWDRU-UHFFFAOYSA-N 1 0 335.408 -1.252 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043124615 673554203 /nfs/dbraw/zinc/55/42/03/673554203.db2.gz SCLQLQIEDHGQPZ-UHFFFAOYSA-N 1 0 338.408 -1.750 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001043124619 673554616 /nfs/dbraw/zinc/55/46/16/673554616.db2.gz SGGKNSUNOVUCDY-UHFFFAOYSA-N 1 0 349.391 -1.488 20 0 EAADRO Nc1nccnc1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124639 673554692 /nfs/dbraw/zinc/55/46/92/673554692.db2.gz SRFIOBFDCUSNML-UHFFFAOYSA-N 1 0 334.380 -1.542 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 ZINC001043124664 673554637 /nfs/dbraw/zinc/55/46/37/673554637.db2.gz SYZQPZRYARBFEQ-UHFFFAOYSA-N 1 0 338.408 -1.702 20 0 EAADRO COc1cc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)ncn1 ZINC001043124671 673554745 /nfs/dbraw/zinc/55/47/45/673554745.db2.gz TWSNUQBXYNBZRV-UHFFFAOYSA-N 1 0 349.391 -1.116 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001043124780 673554737 /nfs/dbraw/zinc/55/47/37/673554737.db2.gz UCOIEKVJGNTZKL-JTQLQIEISA-N 1 0 325.369 -2.547 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001043124781 673554661 /nfs/dbraw/zinc/55/46/61/673554661.db2.gz UCOIEKVJGNTZKL-SNVBAGLBSA-N 1 0 325.369 -2.547 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124783 673554583 /nfs/dbraw/zinc/55/45/83/673554583.db2.gz UCUUGPNSFNTYCV-NEPJUHHUSA-N 1 0 339.392 -1.419 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124784 673554729 /nfs/dbraw/zinc/55/47/29/673554729.db2.gz UCUUGPNSFNTYCV-NWDGAFQWSA-N 1 0 339.392 -1.419 20 0 EAADRO COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124786 673554545 /nfs/dbraw/zinc/55/45/45/673554545.db2.gz UCUUGPNSFNTYCV-RYUDHWBXSA-N 1 0 339.392 -1.419 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124787 673554672 /nfs/dbraw/zinc/55/46/72/673554672.db2.gz UCUUGPNSFNTYCV-VXGBXAGGSA-N 1 0 339.392 -1.419 20 0 EAADRO Cn1oc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001043124804 673554524 /nfs/dbraw/zinc/55/45/24/673554524.db2.gz UULDNLTVWIMRII-UHFFFAOYSA-N 1 0 338.364 -1.623 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001043124807 673554679 /nfs/dbraw/zinc/55/46/79/673554679.db2.gz UYRJPKLBTSMRCV-GFCCVEGCSA-N 1 0 327.381 -1.813 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001043124808 673554601 /nfs/dbraw/zinc/55/46/01/673554601.db2.gz UYRJPKLBTSMRCV-LBPRGKRZSA-N 1 0 327.381 -1.813 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)[nH]c1=O ZINC001043124821 673554717 /nfs/dbraw/zinc/55/47/17/673554717.db2.gz VELGRQUSTCXFDR-UHFFFAOYSA-N 1 0 337.380 -1.475 20 0 EAADRO Cc1c(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)nnn1C ZINC001043124833 673554652 /nfs/dbraw/zinc/55/46/52/673554652.db2.gz VTXQXGJHSZZNGI-UHFFFAOYSA-N 1 0 336.396 -1.478 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)n1cncn1 ZINC001043124844 673554751 /nfs/dbraw/zinc/55/47/51/673554751.db2.gz WPMSQOUPYUOZII-GFCCVEGCSA-N 1 0 336.396 -1.376 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)n1cncn1 ZINC001043124845 673554740 /nfs/dbraw/zinc/55/47/40/673554740.db2.gz WPMSQOUPYUOZII-LBPRGKRZSA-N 1 0 336.396 -1.376 20 0 EAADRO Cn1cccc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)c1=O ZINC001043124850 673554706 /nfs/dbraw/zinc/55/47/06/673554706.db2.gz WVKUVVLPFUAUKE-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001043124870 673554570 /nfs/dbraw/zinc/55/45/70/673554570.db2.gz XLOBYWJNFQPSJF-UHFFFAOYSA-N 1 0 336.396 -1.559 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001043124875 673554645 /nfs/dbraw/zinc/55/46/45/673554645.db2.gz XOWIYVQRZUTKPO-UHFFFAOYSA-N 1 0 335.364 -1.831 20 0 EAADRO COc1nccc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001043124882 673554630 /nfs/dbraw/zinc/55/46/30/673554630.db2.gz XSGZXFMNNHDNHY-UHFFFAOYSA-N 1 0 349.391 -1.116 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)o1 ZINC001043125012 673554519 /nfs/dbraw/zinc/55/45/19/673554519.db2.gz ZVXRSKPAFPKINO-UHFFFAOYSA-N 1 0 337.380 -1.294 20 0 EAADRO COc1ccc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001043125018 673554734 /nfs/dbraw/zinc/55/47/34/673554734.db2.gz ZXFVUTPFOZPFHR-UHFFFAOYSA-N 1 0 349.391 -1.116 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043125071 673554594 /nfs/dbraw/zinc/55/45/94/673554594.db2.gz BKFZEJSMPNDOPT-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043125072 673554761 /nfs/dbraw/zinc/55/47/61/673554761.db2.gz BKFZEJSMPNDOPT-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 ZINC001043125291 673554768 /nfs/dbraw/zinc/55/47/68/673554768.db2.gz FNCZDRWFBOISNQ-UHFFFAOYSA-N 1 0 338.408 -1.606 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001043125319 673554608 /nfs/dbraw/zinc/55/46/08/673554608.db2.gz GJONRJVOCOGHLR-UHFFFAOYSA-N 1 0 334.376 -1.281 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C2=COCCO2)C1 ZINC001043125670 668939597 /nfs/dbraw/zinc/93/95/97/668939597.db2.gz KGUSGCNSIJCBJP-UHFFFAOYSA-N 1 0 325.365 -1.340 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043125772 673555075 /nfs/dbraw/zinc/55/50/75/673555075.db2.gz AFUYUSJCKJDHOJ-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043125775 673555058 /nfs/dbraw/zinc/55/50/58/673555058.db2.gz AFUYUSJCKJDHOJ-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO Cc1cncn1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043125818 673555069 /nfs/dbraw/zinc/55/50/69/673555069.db2.gz BEJQITXMEVKUPW-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001043125825 673555080 /nfs/dbraw/zinc/55/50/80/673555080.db2.gz BFMLBNQYJZYVFF-UHFFFAOYSA-N 1 0 349.391 -1.821 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001043126327 673555087 /nfs/dbraw/zinc/55/50/87/673555087.db2.gz UBRSIYPLLYHIKX-UHFFFAOYSA-N 1 0 335.364 -1.419 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126714 673554994 /nfs/dbraw/zinc/55/49/94/673554994.db2.gz BTIBZSGEAFULNV-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO Cn1c(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)c[nH]c1=O ZINC001043126720 673555044 /nfs/dbraw/zinc/55/50/44/673555044.db2.gz BXZVYCIMDMBFCN-UHFFFAOYSA-N 1 0 337.380 -1.475 20 0 EAADRO NC(=O)NCCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126723 673555325 /nfs/dbraw/zinc/55/53/25/673555325.db2.gz CGNGPLKTUWBGGX-UHFFFAOYSA-N 1 0 327.385 -2.170 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001043126730 673555362 /nfs/dbraw/zinc/55/53/62/673555362.db2.gz CLKMOEGXNUWOKF-GFCCVEGCSA-N 1 0 338.408 -1.560 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001043126779 673555263 /nfs/dbraw/zinc/55/52/63/673555263.db2.gz DAEKCWDDHCMEFF-GFCCVEGCSA-N 1 0 338.408 -1.750 20 0 EAADRO CN1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001043126782 673555385 /nfs/dbraw/zinc/55/53/85/673555385.db2.gz DAEKCWDDHCMEFF-LBPRGKRZSA-N 1 0 338.408 -1.750 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126785 673555283 /nfs/dbraw/zinc/55/52/83/673555283.db2.gz DDFOOLKINNYRIT-JSGCOSHPSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2csnn2)C1 ZINC001043126802 673555163 /nfs/dbraw/zinc/55/51/63/673555163.db2.gz DJMOFUZQCLHABI-UHFFFAOYSA-N 1 0 325.394 -1.063 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126805 673555307 /nfs/dbraw/zinc/55/53/07/673555307.db2.gz DLIFDJSOCZKXEU-UHFFFAOYSA-N 1 0 337.380 -1.177 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126811 673555271 /nfs/dbraw/zinc/55/52/71/673555271.db2.gz DLOGBONUAQYOOT-GFCCVEGCSA-N 1 0 338.408 -1.608 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126814 673555381 /nfs/dbraw/zinc/55/53/81/673555381.db2.gz DLOGBONUAQYOOT-LBPRGKRZSA-N 1 0 338.408 -1.608 20 0 EAADRO Cc1nccn1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126839 673555293 /nfs/dbraw/zinc/55/52/93/673555293.db2.gz DVCSBYGYIFKIDH-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO NC(=O)CCCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127128 673555427 /nfs/dbraw/zinc/55/54/27/673555427.db2.gz FNSWFBPHTWTJJA-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127167 673555402 /nfs/dbraw/zinc/55/54/02/673555402.db2.gz FQBAAXZGGOAYKG-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CCc2cn[nH]n2)C1 ZINC001043127175 673555371 /nfs/dbraw/zinc/55/53/71/673555371.db2.gz FVWUUYOOCZECSK-UHFFFAOYSA-N 1 0 336.396 -1.477 20 0 EAADRO COCCOCCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127176 673555341 /nfs/dbraw/zinc/55/53/41/673555341.db2.gz FWMQKDUZDZUHMH-UHFFFAOYSA-N 1 0 343.424 -1.175 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C(=O)NCC(F)F)C1 ZINC001043127200 673555424 /nfs/dbraw/zinc/55/54/24/673555424.db2.gz GIFMLRKLIRVYKT-UHFFFAOYSA-N 1 0 348.350 -1.847 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)c[nH]1 ZINC001043127216 673555417 /nfs/dbraw/zinc/55/54/17/673555417.db2.gz GNZJVVXYNQUHPI-UHFFFAOYSA-N 1 0 349.391 -1.488 20 0 EAADRO NC(=O)CCCCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127231 673555413 /nfs/dbraw/zinc/55/54/13/673555413.db2.gz HCBXSROIWJFIGW-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127244 673555420 /nfs/dbraw/zinc/55/54/20/673555420.db2.gz HOKAFXUQZGPGQG-UHFFFAOYSA-N 1 0 326.397 -1.750 20 0 EAADRO COCCCOCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127256 673555174 /nfs/dbraw/zinc/55/51/74/673555174.db2.gz HWBUEWYLZASSSF-UHFFFAOYSA-N 1 0 343.424 -1.175 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001043127405 673555225 /nfs/dbraw/zinc/55/52/25/673555225.db2.gz KAWONZWOGRDLIR-UHFFFAOYSA-N 1 0 335.364 -1.419 20 0 EAADRO C[C@]1(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CCNC1=O ZINC001043127410 673555218 /nfs/dbraw/zinc/55/52/18/673555218.db2.gz KFUQMAKJDQKMON-HNNXBMFYSA-N 1 0 338.408 -1.702 20 0 EAADRO C[C@@]1(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CCNC1=O ZINC001043127411 673555198 /nfs/dbraw/zinc/55/51/98/673555198.db2.gz KFUQMAKJDQKMON-OAHLLOKOSA-N 1 0 338.408 -1.702 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127416 673555388 /nfs/dbraw/zinc/55/53/88/673555388.db2.gz KJQQDCTZCVYDRQ-CYBMUJFWSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127417 673555410 /nfs/dbraw/zinc/55/54/10/673555410.db2.gz KJQQDCTZCVYDRQ-ZDUSSCGKSA-N 1 0 340.424 -1.314 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)Cn2ccccc2=O)C1 ZINC001043127421 673555335 /nfs/dbraw/zinc/55/53/35/673555335.db2.gz KMMVWMMTSYDDAX-UHFFFAOYSA-N 1 0 348.403 -1.366 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127422 673555415 /nfs/dbraw/zinc/55/54/15/673555415.db2.gz KMRRYCWCBMFMBY-UHFFFAOYSA-N 1 0 327.385 -2.299 20 0 EAADRO COCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127426 673555186 /nfs/dbraw/zinc/55/51/86/673555186.db2.gz KPORXVVIRAZJJN-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127427 673555367 /nfs/dbraw/zinc/55/53/67/673555367.db2.gz KPORXVVIRAZJJN-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127430 673555255 /nfs/dbraw/zinc/55/52/55/673555255.db2.gz KZFNQMYBNXNDRD-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127431 673555348 /nfs/dbraw/zinc/55/53/48/673555348.db2.gz KZFNQMYBNXNDRD-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127434 673555393 /nfs/dbraw/zinc/55/53/93/673555393.db2.gz LAGLMTQFVAQBKU-UHFFFAOYSA-N 1 0 347.437 -1.794 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001043127692 673555245 /nfs/dbraw/zinc/55/52/45/673555245.db2.gz NHJPXUWKWIUVSF-LLVKDONJSA-N 1 0 347.437 -1.795 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001043127694 673555399 /nfs/dbraw/zinc/55/53/99/673555399.db2.gz NHJPXUWKWIUVSF-NSHDSACASA-N 1 0 347.437 -1.795 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001043127704 673555156 /nfs/dbraw/zinc/55/51/56/673555156.db2.gz NURSFJUAMDHUDZ-GFCCVEGCSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001043127705 673555405 /nfs/dbraw/zinc/55/54/05/673555405.db2.gz NURSFJUAMDHUDZ-LBPRGKRZSA-N 1 0 338.408 -1.702 20 0 EAADRO COc1cncc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001043127724 673555694 /nfs/dbraw/zinc/55/56/94/673555694.db2.gz OIYUZRXBMNUFLH-UHFFFAOYSA-N 1 0 349.391 -1.116 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043127731 673555638 /nfs/dbraw/zinc/55/56/38/673555638.db2.gz OMDPNSKUNGUHQJ-GFCCVEGCSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043127732 673555749 /nfs/dbraw/zinc/55/57/49/673555749.db2.gz OMDPNSKUNGUHQJ-LBPRGKRZSA-N 1 0 338.408 -1.702 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127763 673555795 /nfs/dbraw/zinc/55/57/95/673555795.db2.gz PENUWHWSTYQTCQ-LLVKDONJSA-N 1 0 326.397 -1.717 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043127764 673555734 /nfs/dbraw/zinc/55/57/34/673555734.db2.gz PENUWHWSTYQTCQ-NSHDSACASA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001043127767 673555877 /nfs/dbraw/zinc/55/58/77/673555877.db2.gz POCROMQFKIGQTE-UHFFFAOYSA-N 1 0 349.391 -1.488 20 0 EAADRO Cc1ccn(CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001043127772 673555644 /nfs/dbraw/zinc/55/56/44/673555644.db2.gz PQFGZFHLRRJOKN-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2n[nH]cc2F)C1 ZINC001043127780 673555610 /nfs/dbraw/zinc/55/56/10/673555610.db2.gz QGPZTUWZRQPXOE-UHFFFAOYSA-N 1 0 325.344 -1.052 20 0 EAADRO C[C@@]1(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CCC(=O)N1 ZINC001043128043 673555834 /nfs/dbraw/zinc/55/58/34/673555834.db2.gz QRAMIIHJSXVQQS-HNNXBMFYSA-N 1 0 338.408 -1.560 20 0 EAADRO Cn1nc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)ccc1=O ZINC001043128046 673555859 /nfs/dbraw/zinc/55/58/59/673555859.db2.gz RDRFREHBFXKIAY-UHFFFAOYSA-N 1 0 349.391 -1.821 20 0 EAADRO C[C@@]1(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CNC(=O)C1 ZINC001043128059 673555786 /nfs/dbraw/zinc/55/57/86/673555786.db2.gz RMXAFEHCRJLFPS-HNNXBMFYSA-N 1 0 338.408 -1.702 20 0 EAADRO C[C@]1(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CNC(=O)C1 ZINC001043128060 673555814 /nfs/dbraw/zinc/55/58/14/673555814.db2.gz RMXAFEHCRJLFPS-OAHLLOKOSA-N 1 0 338.408 -1.702 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)NC1=O ZINC001043128093 673555773 /nfs/dbraw/zinc/55/57/73/673555773.db2.gz SVBBDBZFXSRDDZ-LLVKDONJSA-N 1 0 339.396 -2.205 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)NC1=O ZINC001043128094 673555799 /nfs/dbraw/zinc/55/57/99/673555799.db2.gz SVBBDBZFXSRDDZ-NSHDSACASA-N 1 0 339.396 -2.205 20 0 EAADRO Cc1nccn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001043128105 673555838 /nfs/dbraw/zinc/55/58/38/673555838.db2.gz UGHRFVYZKMWTQK-CYBMUJFWSA-N 1 0 335.408 -1.025 20 0 EAADRO Cc1nccn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001043128106 673555864 /nfs/dbraw/zinc/55/58/64/673555864.db2.gz UGHRFVYZKMWTQK-ZDUSSCGKSA-N 1 0 335.408 -1.025 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001043128110 673555681 /nfs/dbraw/zinc/55/56/81/673555681.db2.gz UMUTZMYVHONSOP-UHFFFAOYSA-N 1 0 335.364 -1.419 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128120 673555656 /nfs/dbraw/zinc/55/56/56/673555656.db2.gz UTRNIHHRWHKDPQ-UHFFFAOYSA-N 1 0 349.391 -1.110 20 0 EAADRO Cc1ccnn1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128413 673555850 /nfs/dbraw/zinc/55/58/50/673555850.db2.gz VODNQGXSIOBKMW-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO CCOCCOCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128423 673555666 /nfs/dbraw/zinc/55/56/66/673555666.db2.gz VTVRZVBLLLLTTM-UHFFFAOYSA-N 1 0 343.424 -1.175 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128442 673555604 /nfs/dbraw/zinc/55/56/04/673555604.db2.gz WFKGCBPRTNBWKH-UHFFFAOYSA-N 1 0 347.437 -1.794 20 0 EAADRO Cn1ccc(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001043128444 673555739 /nfs/dbraw/zinc/55/57/39/673555739.db2.gz WHRNARNYGZCSLQ-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128476 673555855 /nfs/dbraw/zinc/55/58/55/673555855.db2.gz WUABFCOJYBPWGV-UHFFFAOYSA-N 1 0 348.425 -2.679 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128495 673555672 /nfs/dbraw/zinc/55/56/72/673555672.db2.gz WXJJWCMHTJSHIT-NEPJUHHUSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128496 673555775 /nfs/dbraw/zinc/55/57/75/673555775.db2.gz WXJJWCMHTJSHIT-NWDGAFQWSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128497 673555622 /nfs/dbraw/zinc/55/56/22/673555622.db2.gz WXJJWCMHTJSHIT-RYUDHWBXSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128499 673555731 /nfs/dbraw/zinc/55/57/31/673555731.db2.gz WXJJWCMHTJSHIT-VXGBXAGGSA-N 1 0 338.408 -1.717 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001043128515 673555712 /nfs/dbraw/zinc/55/57/12/673555712.db2.gz XGTQEAMKUWBEHY-UHFFFAOYSA-N 1 0 349.391 -1.326 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@]2(F)CCOC2)C1 ZINC001043128532 673555700 /nfs/dbraw/zinc/55/57/00/673555700.db2.gz YALNFMWTAQVRFP-HNNXBMFYSA-N 1 0 329.372 -1.100 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001043128534 673555758 /nfs/dbraw/zinc/55/57/58/673555758.db2.gz YALNFMWTAQVRFP-OAHLLOKOSA-N 1 0 329.372 -1.100 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001043128687 673555781 /nfs/dbraw/zinc/55/57/81/673555781.db2.gz ZFWUWEWCPPDCRM-GFCCVEGCSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001043128689 673555753 /nfs/dbraw/zinc/55/57/53/673555753.db2.gz ZFWUWEWCPPDCRM-LBPRGKRZSA-N 1 0 338.408 -1.702 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CC1=O ZINC001043128767 673555746 /nfs/dbraw/zinc/55/57/46/673555746.db2.gz ZXVVCFNJMNQACC-GFCCVEGCSA-N 1 0 338.408 -1.750 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CC1=O ZINC001043128771 673555705 /nfs/dbraw/zinc/55/57/05/673555705.db2.gz ZXVVCFNJMNQACC-LBPRGKRZSA-N 1 0 338.408 -1.750 20 0 EAADRO Cc1nccn1CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043129822 673556028 /nfs/dbraw/zinc/55/60/28/673556028.db2.gz FJRIKWPJPZTVEW-UHFFFAOYSA-N 1 0 347.419 -1.023 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(O)CN(C(=O)C(F)F)C1 ZINC001043132075 673556623 /nfs/dbraw/zinc/55/66/23/673556623.db2.gz ASDGIJDPEGJHMJ-JTQLQIEISA-N 1 0 335.351 -1.091 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(O)CN(C(=O)C(F)F)C1 ZINC001043132076 673556666 /nfs/dbraw/zinc/55/66/66/673556666.db2.gz ASDGIJDPEGJHMJ-SNVBAGLBSA-N 1 0 335.351 -1.091 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043132660 673557041 /nfs/dbraw/zinc/55/70/41/673557041.db2.gz HDRFJLMJFVFFJP-JTQLQIEISA-N 1 0 328.369 -2.871 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043132661 673556970 /nfs/dbraw/zinc/55/69/70/673556970.db2.gz HDRFJLMJFVFFJP-SNVBAGLBSA-N 1 0 328.369 -2.871 20 0 EAADRO COCCC(=O)N1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001043132662 673556941 /nfs/dbraw/zinc/55/69/41/673556941.db2.gz HFUKCCIAHWGILR-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001043132663 673556974 /nfs/dbraw/zinc/55/69/74/673556974.db2.gz HFUKCCIAHWGILR-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001043132798 673557035 /nfs/dbraw/zinc/55/70/35/673557035.db2.gz BZXHBZQWAQWUQW-GFCCVEGCSA-N 1 0 349.391 -1.489 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001043132799 673556980 /nfs/dbraw/zinc/55/69/80/673556980.db2.gz BZXHBZQWAQWUQW-LBPRGKRZSA-N 1 0 349.391 -1.489 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001043132862 673557027 /nfs/dbraw/zinc/55/70/27/673557027.db2.gz DXVHQKXIEPPKDI-JTQLQIEISA-N 1 0 349.391 -1.632 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001043132864 673557023 /nfs/dbraw/zinc/55/70/23/673557023.db2.gz DXVHQKXIEPPKDI-SNVBAGLBSA-N 1 0 349.391 -1.632 20 0 EAADRO NC(=O)c1cc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)c[nH]1 ZINC001043133050 673557038 /nfs/dbraw/zinc/55/70/38/673557038.db2.gz FNOMVBKFNZMVSE-UHFFFAOYSA-N 1 0 349.391 -1.488 20 0 EAADRO CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001043133078 673556989 /nfs/dbraw/zinc/55/69/89/673556989.db2.gz MFNLNVGHEDIZEG-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001043133079 673556900 /nfs/dbraw/zinc/55/69/00/673556900.db2.gz MFNLNVGHEDIZEG-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001043133748 673557404 /nfs/dbraw/zinc/55/74/04/673557404.db2.gz SFXINQYKFSHXTA-GFCCVEGCSA-N 1 0 329.397 -1.709 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001043133749 673557207 /nfs/dbraw/zinc/55/72/07/673557207.db2.gz SFXINQYKFSHXTA-LBPRGKRZSA-N 1 0 329.397 -1.709 20 0 EAADRO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001043133781 673557394 /nfs/dbraw/zinc/55/73/94/673557394.db2.gz TXHSVRLJENJARQ-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001043133782 673557407 /nfs/dbraw/zinc/55/74/07/673557407.db2.gz TXHSVRLJENJARQ-OLZOCXBDSA-N 1 0 343.424 -1.321 20 0 EAADRO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001043133784 673557322 /nfs/dbraw/zinc/55/73/22/673557322.db2.gz TXHSVRLJENJARQ-QWHCGFSZSA-N 1 0 343.424 -1.321 20 0 EAADRO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001043133785 673557389 /nfs/dbraw/zinc/55/73/89/673557389.db2.gz TXHSVRLJENJARQ-STQMWFEESA-N 1 0 343.424 -1.321 20 0 EAADRO Cc1nccn1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043133857 673557370 /nfs/dbraw/zinc/55/73/70/673557370.db2.gz VOSGSTYOXFUHDB-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043133872 673557272 /nfs/dbraw/zinc/55/72/72/673557272.db2.gz VTZKWNWLZILXBC-LLVKDONJSA-N 1 0 342.396 -2.480 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043133874 673557409 /nfs/dbraw/zinc/55/74/09/673557409.db2.gz VTZKWNWLZILXBC-NSHDSACASA-N 1 0 342.396 -2.480 20 0 EAADRO Cc1nccn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043134041 673557380 /nfs/dbraw/zinc/55/73/80/673557380.db2.gz ZZPZCXIELHYMIE-CYBMUJFWSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1nccn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043134042 673557290 /nfs/dbraw/zinc/55/72/90/673557290.db2.gz ZZPZCXIELHYMIE-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001043134312 673557298 /nfs/dbraw/zinc/55/72/98/673557298.db2.gz QFJOXHQMTIZZKQ-UHFFFAOYSA-N 1 0 337.380 -1.632 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001043148920 673559354 /nfs/dbraw/zinc/55/93/54/673559354.db2.gz NDBJBXVBWHXCIE-JTQLQIEISA-N 1 0 348.425 -2.681 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001043148921 673559360 /nfs/dbraw/zinc/55/93/60/673559360.db2.gz NDBJBXVBWHXCIE-SNVBAGLBSA-N 1 0 348.425 -2.681 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001043149167 673559722 /nfs/dbraw/zinc/55/97/22/673559722.db2.gz XVZWPGBFRMLUJH-UHFFFAOYSA-N 1 0 349.391 -1.565 20 0 EAADRO NC(=O)C(=O)N1CC(O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001043152972 673560247 /nfs/dbraw/zinc/56/02/47/673560247.db2.gz GELRSVOWGYOOOE-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043152974 673560185 /nfs/dbraw/zinc/56/01/85/673560185.db2.gz GESVQFSZOZKRJM-JTQLQIEISA-N 1 0 348.425 -2.681 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043152976 673560328 /nfs/dbraw/zinc/56/03/28/673560328.db2.gz GESVQFSZOZKRJM-SNVBAGLBSA-N 1 0 348.425 -2.681 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCN2CCCC2=O)C1 ZINC001043153715 668944495 /nfs/dbraw/zinc/94/44/95/668944495.db2.gz UEXOLAWIYQRJHO-UHFFFAOYSA-N 1 0 340.424 -1.360 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043153967 673560855 /nfs/dbraw/zinc/56/08/55/673560855.db2.gz YNUFBURSMPYDPW-GFCCVEGCSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043153968 673560838 /nfs/dbraw/zinc/56/08/38/673560838.db2.gz YNUFBURSMPYDPW-LBPRGKRZSA-N 1 0 342.440 -1.210 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001043154007 673560823 /nfs/dbraw/zinc/56/08/23/673560823.db2.gz YRTVTRCWYGONAC-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043155761 673561133 /nfs/dbraw/zinc/56/11/33/673561133.db2.gz FJCSPYIWMBVZJH-JTQLQIEISA-N 1 0 348.425 -2.823 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043155762 673561162 /nfs/dbraw/zinc/56/11/62/673561162.db2.gz FJCSPYIWMBVZJH-SNVBAGLBSA-N 1 0 348.425 -2.823 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043155884 668945247 /nfs/dbraw/zinc/94/52/47/668945247.db2.gz JBQQPHDSUQKEDE-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043155985 673561347 /nfs/dbraw/zinc/56/13/47/673561347.db2.gz NIASWHVPRBBBLW-UHFFFAOYSA-N 1 0 336.414 -2.823 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043156036 673561409 /nfs/dbraw/zinc/56/14/09/673561409.db2.gz POPWSBMQJVPJHQ-UHFFFAOYSA-N 1 0 349.453 -1.549 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043156163 668945225 /nfs/dbraw/zinc/94/52/25/668945225.db2.gz WCRSNYMQXDXQEN-UHFFFAOYSA-N 1 0 348.425 -2.679 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 ZINC001043157353 673562059 /nfs/dbraw/zinc/56/20/59/673562059.db2.gz AFOFMTBCQKMGIO-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)COCCOC)C1 ZINC001043157358 673562088 /nfs/dbraw/zinc/56/20/88/673562088.db2.gz AIWCNPGSSFAZKL-UHFFFAOYSA-N 1 0 331.413 -1.319 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 ZINC001043157372 673561907 /nfs/dbraw/zinc/56/19/07/673561907.db2.gz ASDOPUOXUJOYPH-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2cncn2C)C1 ZINC001043157383 673562030 /nfs/dbraw/zinc/56/20/30/673562030.db2.gz BMUIJKQDJSEIOW-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CCn1nncc1C(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043157387 673561949 /nfs/dbraw/zinc/56/19/49/673561949.db2.gz BTRWKEVFHHUDPC-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001043157391 673561923 /nfs/dbraw/zinc/56/19/23/673561923.db2.gz BWQBKFWGMRFHPS-LLVKDONJSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001043157395 673562016 /nfs/dbraw/zinc/56/20/16/673562016.db2.gz BWQBKFWGMRFHPS-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001043157405 673561988 /nfs/dbraw/zinc/56/19/88/673561988.db2.gz BZNIJBMWFMCYND-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1 ZINC001043157407 673561983 /nfs/dbraw/zinc/56/19/83/673561983.db2.gz BZNIJBMWFMCYND-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001043157434 673561992 /nfs/dbraw/zinc/56/19/92/673561992.db2.gz CHDDMYRZIDYPFB-UHFFFAOYSA-N 1 0 338.412 -1.313 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001043157443 673562025 /nfs/dbraw/zinc/56/20/25/673562025.db2.gz CLWLTMGMQVTJKF-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001043157445 673561958 /nfs/dbraw/zinc/56/19/58/673561958.db2.gz CLWLTMGMQVTJKF-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 ZINC001043157478 673561889 /nfs/dbraw/zinc/56/18/89/673561889.db2.gz CXIMQBKFMFFEAA-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001043157490 673561940 /nfs/dbraw/zinc/56/19/40/673561940.db2.gz DHCKKVLVUUGACG-UHFFFAOYSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 ZINC001043157494 673561999 /nfs/dbraw/zinc/56/19/99/673561999.db2.gz DLEJGLHIDYMIMH-UHFFFAOYSA-N 1 0 336.396 -1.296 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001043157503 673562064 /nfs/dbraw/zinc/56/20/64/673562064.db2.gz DSBSQCRLGKDBRW-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001043157515 673562005 /nfs/dbraw/zinc/56/20/05/673562005.db2.gz DSBSQCRLGKDBRW-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1 ZINC001043157522 673561893 /nfs/dbraw/zinc/56/18/93/673561893.db2.gz DUXYRXHYJHYYDA-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001043157524 673561971 /nfs/dbraw/zinc/56/19/71/673561971.db2.gz FBEIAQVZXVPGGY-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001043157526 673561979 /nfs/dbraw/zinc/56/19/79/673561979.db2.gz FBEIAQVZXVPGGY-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001043157556 673561931 /nfs/dbraw/zinc/56/19/31/673561931.db2.gz FGPMVCSGUZYSKI-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001043157557 673561976 /nfs/dbraw/zinc/56/19/76/673561976.db2.gz FGPMVCSGUZYSKI-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCNC(=O)NC)C1 ZINC001043157566 673561967 /nfs/dbraw/zinc/56/19/67/673561967.db2.gz FUQNXIBGNQWGFY-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043157584 673561915 /nfs/dbraw/zinc/56/19/15/673561915.db2.gz GVPNYNBSPFUMTQ-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043157585 673562072 /nfs/dbraw/zinc/56/20/72/673562072.db2.gz GVPNYNBSPFUMTQ-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001043157619 673561954 /nfs/dbraw/zinc/56/19/54/673561954.db2.gz HIJUBYAPVCVDGS-UHFFFAOYSA-N 1 0 337.380 -1.585 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1 ZINC001043157633 673561911 /nfs/dbraw/zinc/56/19/11/673561911.db2.gz HVBOPPDYGJGFKH-UHFFFAOYSA-N 1 0 338.412 -1.232 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001043157642 673561947 /nfs/dbraw/zinc/56/19/47/673561947.db2.gz IBAKLUHMAMPBMS-UHFFFAOYSA-N 1 0 335.426 -1.938 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001043157749 673561919 /nfs/dbraw/zinc/56/19/19/673561919.db2.gz JHRTYLVIBHQUFH-GFCCVEGCSA-N 1 0 341.408 -1.029 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001043157750 673561927 /nfs/dbraw/zinc/56/19/27/673561927.db2.gz JHRTYLVIBHQUFH-LBPRGKRZSA-N 1 0 341.408 -1.029 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001043157754 673562090 /nfs/dbraw/zinc/56/20/90/673562090.db2.gz JNXZOERKFVIPEF-JTQLQIEISA-N 1 0 327.385 -2.301 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001043157755 673561902 /nfs/dbraw/zinc/56/19/02/673561902.db2.gz JNXZOERKFVIPEF-SNVBAGLBSA-N 1 0 327.385 -2.301 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 ZINC001043157757 673562077 /nfs/dbraw/zinc/56/20/77/673562077.db2.gz JOQNZQMCBUSQMZ-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2nnc(C)o2)C1 ZINC001043157760 668945037 /nfs/dbraw/zinc/94/50/37/668945037.db2.gz JUNNISYDKBAXTI-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001043157775 673562083 /nfs/dbraw/zinc/56/20/83/673562083.db2.gz KELGWDDMUATWBX-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1 ZINC001043157782 673562444 /nfs/dbraw/zinc/56/24/44/673562444.db2.gz KKESEYVYNVGTNP-UHFFFAOYSA-N 1 0 328.413 -1.504 20 0 EAADRO CCNC(=O)CCC(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043157798 673562288 /nfs/dbraw/zinc/56/22/88/673562288.db2.gz KZKYHZZSVIMUMU-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCn1ncc(C(=O)N2CC(O)(CNC(=O)C[NH+](CC)CC)C2)n1 ZINC001043157802 668945075 /nfs/dbraw/zinc/94/50/75/668945075.db2.gz LCYUXJLOHNSGHM-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 ZINC001043157844 668945049 /nfs/dbraw/zinc/94/50/49/668945049.db2.gz MHJMFNRYGNAZEC-UHFFFAOYSA-N 1 0 327.381 -1.094 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001043157851 668945327 /nfs/dbraw/zinc/94/53/27/668945327.db2.gz MJOSLBBWCKYJAE-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 ZINC001043157853 668945175 /nfs/dbraw/zinc/94/51/75/668945175.db2.gz MNDVXQBPKLWRBG-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001043157949 668945197 /nfs/dbraw/zinc/94/51/97/668945197.db2.gz MSTSGGVQZMJELP-UHFFFAOYSA-N 1 0 339.396 -1.229 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCn2cnnn2)C1 ZINC001043157977 673562340 /nfs/dbraw/zinc/56/23/40/673562340.db2.gz ODLCNTLDGANQFQ-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CNC(=O)OC)C1 ZINC001043158007 673562521 /nfs/dbraw/zinc/56/25/21/673562521.db2.gz PEYFONPANPNWMS-UHFFFAOYSA-N 1 0 330.385 -1.626 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001043158008 673562358 /nfs/dbraw/zinc/56/23/58/673562358.db2.gz PGLMWRUNYTYSJA-NEPJUHHUSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001043158009 673562441 /nfs/dbraw/zinc/56/24/41/673562441.db2.gz PGLMWRUNYTYSJA-NWDGAFQWSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001043158010 673562262 /nfs/dbraw/zinc/56/22/62/673562262.db2.gz PGLMWRUNYTYSJA-RYUDHWBXSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001043158011 673562308 /nfs/dbraw/zinc/56/23/08/673562308.db2.gz PGLMWRUNYTYSJA-VXGBXAGGSA-N 1 0 341.408 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCc2nnc[nH]2)C1 ZINC001043158021 673562421 /nfs/dbraw/zinc/56/24/21/673562421.db2.gz PTHIBYXKBPUXLI-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043158170 668945270 /nfs/dbraw/zinc/94/52/70/668945270.db2.gz ROXLNNPFMZJNPX-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1 ZINC001043158188 673562348 /nfs/dbraw/zinc/56/23/48/673562348.db2.gz SINWPMARGQXKSX-GFCCVEGCSA-N 1 0 338.412 -1.130 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1 ZINC001043158189 673562364 /nfs/dbraw/zinc/56/23/64/673562364.db2.gz SINWPMARGQXKSX-LBPRGKRZSA-N 1 0 338.412 -1.130 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001043158190 673562533 /nfs/dbraw/zinc/56/25/33/673562533.db2.gz SJXWITAWLAXXCL-UHFFFAOYSA-N 1 0 347.437 -1.938 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001043158195 673562428 /nfs/dbraw/zinc/56/24/28/673562428.db2.gz SNQBOMRUQUJDGJ-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2COCCN2C)C1 ZINC001043158206 673562484 /nfs/dbraw/zinc/56/24/84/673562484.db2.gz SZJRDNCWYDVVAB-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCN2C)C1 ZINC001043158207 673562529 /nfs/dbraw/zinc/56/25/29/673562529.db2.gz SZJRDNCWYDVVAB-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO CCn1cc(C(=O)N2CC(O)(CNC(=O)C[NH+](CC)CC)C2)nn1 ZINC001043158382 673562352 /nfs/dbraw/zinc/56/23/52/673562352.db2.gz WKLCFCHOMOUQPB-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001043158386 673562321 /nfs/dbraw/zinc/56/23/21/673562321.db2.gz WOITUIYYKHBTBT-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001043158387 673562479 /nfs/dbraw/zinc/56/24/79/673562479.db2.gz WOITUIYYKHBTBT-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CN2CCOCC2)C1 ZINC001043158396 668945260 /nfs/dbraw/zinc/94/52/60/668945260.db2.gz WVZSYHVSCAKCIT-UHFFFAOYSA-N 1 0 342.440 -1.650 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001043158397 668944975 /nfs/dbraw/zinc/94/49/75/668944975.db2.gz WWTIBXPRFCCRKH-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043158400 673562468 /nfs/dbraw/zinc/56/24/68/673562468.db2.gz WYMXFJYJFSOMOM-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001043158427 673562306 /nfs/dbraw/zinc/56/23/06/673562306.db2.gz YBKRUZRRLUQOHL-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 ZINC001043158457 673562384 /nfs/dbraw/zinc/56/23/84/673562384.db2.gz YZMANUREEBJONW-UHFFFAOYSA-N 1 0 340.424 -1.360 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001043158460 673562406 /nfs/dbraw/zinc/56/24/06/673562406.db2.gz ZFJFEGDGWXJICN-UHFFFAOYSA-N 1 0 336.392 -1.035 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001043158469 673562401 /nfs/dbraw/zinc/56/24/01/673562401.db2.gz ZNYFKUVPXHVKBP-UHFFFAOYSA-N 1 0 341.412 -1.781 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001043159431 673562378 /nfs/dbraw/zinc/56/23/78/673562378.db2.gz AKUIUWBLLSDDOD-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043159455 673562325 /nfs/dbraw/zinc/56/23/25/673562325.db2.gz AZQUOCJAMJUYNY-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043159456 673562511 /nfs/dbraw/zinc/56/25/11/673562511.db2.gz AZQUOCJAMJUYNY-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001043159479 673562272 /nfs/dbraw/zinc/56/22/72/673562272.db2.gz CQNLXQSHPUGHJU-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001043159480 673562474 /nfs/dbraw/zinc/56/24/74/673562474.db2.gz CQNLXQSHPUGHJU-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CNC(=O)NC)C1 ZINC001043159493 673562507 /nfs/dbraw/zinc/56/25/07/673562507.db2.gz DAAIQMARVQXLND-UHFFFAOYSA-N 1 0 329.401 -2.053 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001043159497 673562413 /nfs/dbraw/zinc/56/24/13/673562413.db2.gz DBKQSCSPRDPCFU-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001043159498 673562295 /nfs/dbraw/zinc/56/22/95/673562295.db2.gz DBKQSCSPRDPCFU-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043159500 673562282 /nfs/dbraw/zinc/56/22/82/673562282.db2.gz DFDORVHUTWECKO-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043159501 673562436 /nfs/dbraw/zinc/56/24/36/673562436.db2.gz DFDORVHUTWECKO-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043159504 673562432 /nfs/dbraw/zinc/56/24/32/673562432.db2.gz DIDDKRBPKUDZJH-CYBMUJFWSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043159505 673562514 /nfs/dbraw/zinc/56/25/14/673562514.db2.gz DIDDKRBPKUDZJH-ZDUSSCGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043159582 673562455 /nfs/dbraw/zinc/56/24/55/673562455.db2.gz DYVFZBZPJIHXEE-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001043159657 673562497 /nfs/dbraw/zinc/56/24/97/673562497.db2.gz GNXVJOSDPSPFGK-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001043159659 673562416 /nfs/dbraw/zinc/56/24/16/673562416.db2.gz GNXVJOSDPSPFGK-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001043159661 673562449 /nfs/dbraw/zinc/56/24/49/673562449.db2.gz GNXVJOSDPSPFGK-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001043159663 673562537 /nfs/dbraw/zinc/56/25/37/673562537.db2.gz GNXVJOSDPSPFGK-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001043159669 673562396 /nfs/dbraw/zinc/56/23/96/673562396.db2.gz GUZCOYFIBDEGNL-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001043159671 673562277 /nfs/dbraw/zinc/56/22/77/673562277.db2.gz GUZCOYFIBDEGNL-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001043159675 673562368 /nfs/dbraw/zinc/56/23/68/673562368.db2.gz GYHZWTXLLULDCL-JTQLQIEISA-N 1 0 328.369 -1.874 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001043159676 673562335 /nfs/dbraw/zinc/56/23/35/673562335.db2.gz GYHZWTXLLULDCL-SNVBAGLBSA-N 1 0 328.369 -1.874 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001043159695 673562313 /nfs/dbraw/zinc/56/23/13/673562313.db2.gz HHBKKMXTHKOCPN-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 ZINC001043159697 673562300 /nfs/dbraw/zinc/56/23/00/673562300.db2.gz HHOGUBQNOMBSFM-UHFFFAOYSA-N 1 0 325.373 -2.145 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001043159699 673562373 /nfs/dbraw/zinc/56/23/73/673562373.db2.gz HKEALQQLDAAZCJ-IMRBUKKESA-N 1 0 325.409 -1.090 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1 ZINC001043159795 673562502 /nfs/dbraw/zinc/56/25/02/673562502.db2.gz IGTTYMZIXWBVLN-UHFFFAOYSA-N 1 0 338.412 -1.353 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001043159812 673562390 /nfs/dbraw/zinc/56/23/90/673562390.db2.gz IWHOATMQCGPHRN-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001043159813 673562317 /nfs/dbraw/zinc/56/23/17/673562317.db2.gz IWHOATMQCGPHRN-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001043159820 673562525 /nfs/dbraw/zinc/56/25/25/673562525.db2.gz JCWRIZMLAGGXGC-JTQLQIEISA-N 1 0 329.401 -1.926 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)o2)C1 ZINC001043159825 673562462 /nfs/dbraw/zinc/56/24/62/673562462.db2.gz JFIHHPZWCYOOOZ-UHFFFAOYSA-N 1 0 340.380 -1.377 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001043159842 673562488 /nfs/dbraw/zinc/56/24/88/673562488.db2.gz JQZKPTSTFCCFTJ-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 ZINC001043159870 673562517 /nfs/dbraw/zinc/56/25/17/673562517.db2.gz KNYKEONFWBSAMI-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 ZINC001043159908 668945781 /nfs/dbraw/zinc/94/57/81/668945781.db2.gz LXYWGYYGPTWMJY-UHFFFAOYSA-N 1 0 328.413 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001043159935 673562493 /nfs/dbraw/zinc/56/24/93/673562493.db2.gz NGWIWCLIMFQXAG-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001043159975 673562864 /nfs/dbraw/zinc/56/28/64/673562864.db2.gz OWYXNOXZBINUSP-JSGCOSHPSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CS(=O)(=O)CC)C1 ZINC001043159977 673562734 /nfs/dbraw/zinc/56/27/34/673562734.db2.gz OZCKJYHVVHHISH-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001043159994 673562741 /nfs/dbraw/zinc/56/27/41/673562741.db2.gz PUKKRUDIDORYOM-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001043159995 673562756 /nfs/dbraw/zinc/56/27/56/673562756.db2.gz PUKKRUDIDORYOM-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCc2cn[nH]n2)C1 ZINC001043160004 673562715 /nfs/dbraw/zinc/56/27/15/673562715.db2.gz QGQMLGITXNLINV-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001043160015 673562808 /nfs/dbraw/zinc/56/28/08/673562808.db2.gz QSMHMCBYEBNKOF-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001043160064 673562816 /nfs/dbraw/zinc/56/28/16/673562816.db2.gz SRCWRQDCNATRQS-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043160065 673562791 /nfs/dbraw/zinc/56/27/91/673562791.db2.gz SREXRXZURSWWTE-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043160066 673562700 /nfs/dbraw/zinc/56/27/00/673562700.db2.gz SREXRXZURSWWTE-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001043160070 673562710 /nfs/dbraw/zinc/56/27/10/673562710.db2.gz STMSOLFFYYCHSB-LLVKDONJSA-N 1 0 341.412 -1.959 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001043160071 673562785 /nfs/dbraw/zinc/56/27/85/673562785.db2.gz STMSOLFFYYCHSB-NSHDSACASA-N 1 0 341.412 -1.959 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CN2CN=NC2=O)C1 ZINC001043160095 673562772 /nfs/dbraw/zinc/56/27/72/673562772.db2.gz UURAPLRUSAQCMS-UHFFFAOYSA-N 1 0 340.384 -1.985 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1 ZINC001043160139 673562747 /nfs/dbraw/zinc/56/27/47/673562747.db2.gz WSKPLXUTQODLPI-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1 ZINC001043160140 673562860 /nfs/dbraw/zinc/56/28/60/673562860.db2.gz WSKPLXUTQODLPI-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001043160165 673562663 /nfs/dbraw/zinc/56/26/63/673562663.db2.gz XOCJCGXOXWMCFB-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001043160166 673562729 /nfs/dbraw/zinc/56/27/29/673562729.db2.gz XOEVGWLAKUHTHY-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001043160167 673562751 /nfs/dbraw/zinc/56/27/51/673562751.db2.gz XOEVGWLAKUHTHY-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001043160177 673562854 /nfs/dbraw/zinc/56/28/54/673562854.db2.gz XTCZRVBKUGOQJL-UHFFFAOYSA-N 1 0 328.413 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001043160179 673562802 /nfs/dbraw/zinc/56/28/02/673562802.db2.gz XVAQUKHKIGFWSB-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001043160180 673562844 /nfs/dbraw/zinc/56/28/44/673562844.db2.gz XVAQUKHKIGFWSB-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001043160182 673562632 /nfs/dbraw/zinc/56/26/32/673562632.db2.gz XXAKXDCSHGQBAY-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCCC(=O)NC)C1 ZINC001043160186 673562764 /nfs/dbraw/zinc/56/27/64/673562764.db2.gz XZQGPBIEPWQTDF-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCS(C)(=O)=O)C1 ZINC001043160191 673562768 /nfs/dbraw/zinc/56/27/68/673562768.db2.gz YDQXNAKHLQRMHX-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001043160194 668945774 /nfs/dbraw/zinc/94/57/74/668945774.db2.gz YFIGRBYSINEVLG-UHFFFAOYSA-N 1 0 339.396 -1.229 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2ccnn2C)C1 ZINC001043160199 673562825 /nfs/dbraw/zinc/56/28/25/673562825.db2.gz YLCABULQRJKRNM-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001043160218 673562833 /nfs/dbraw/zinc/56/28/33/673562833.db2.gz ZHOHNWODKXRWCC-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001043160219 673562812 /nfs/dbraw/zinc/56/28/12/673562812.db2.gz ZHOHNWODKXRWCC-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001043160231 673562677 /nfs/dbraw/zinc/56/26/77/673562677.db2.gz ZSXTWNYVDFQSCR-LLVKDONJSA-N 1 0 328.413 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001043160232 673562683 /nfs/dbraw/zinc/56/26/83/673562683.db2.gz ZSXTWNYVDFQSCR-NSHDSACASA-N 1 0 328.413 -1.471 20 0 EAADRO COCC[C@@H](C)C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043166800 673563663 /nfs/dbraw/zinc/56/36/63/673563663.db2.gz IDYFITBCRASWFL-CYBMUJFWSA-N 1 0 345.440 -1.073 20 0 EAADRO COCC[C@H](C)C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043166801 673563585 /nfs/dbraw/zinc/56/35/85/673563585.db2.gz IDYFITBCRASWFL-ZDUSSCGKSA-N 1 0 345.440 -1.073 20 0 EAADRO CC(C)(C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1)[NH+]1CCCCC1 ZINC001043168901 673564234 /nfs/dbraw/zinc/56/42/34/673564234.db2.gz JUINGEYDKQRTPB-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)(C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001043169050 673564189 /nfs/dbraw/zinc/56/41/89/673564189.db2.gz ORMFDFUEKPZCNC-UHFFFAOYSA-N 1 0 326.397 -1.574 20 0 EAADRO O=C(Cn1ncnn1)NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043176628 673565477 /nfs/dbraw/zinc/56/54/77/673565477.db2.gz CENRAEJQQRBRFM-UHFFFAOYSA-N 1 0 349.395 -2.009 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043176697 673565714 /nfs/dbraw/zinc/56/57/14/673565714.db2.gz FLTHGGDJGHGXKH-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043176702 673565845 /nfs/dbraw/zinc/56/58/45/673565845.db2.gz FOJJMXJXQRALNI-GFCCVEGCSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043176703 673565777 /nfs/dbraw/zinc/56/57/77/673565777.db2.gz FOJJMXJXQRALNI-LBPRGKRZSA-N 1 0 349.395 -2.296 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043176774 673565750 /nfs/dbraw/zinc/56/57/50/673565750.db2.gz IOQRGLUMLIUKQT-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)CC1 ZINC001043176786 673565821 /nfs/dbraw/zinc/56/58/21/673565821.db2.gz JAOWBPBQXMDVQZ-UHFFFAOYSA-N 1 0 337.384 -2.296 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001043176800 673566039 /nfs/dbraw/zinc/56/60/39/673566039.db2.gz JVEDRCFLSMNFDM-GFCCVEGCSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001043176801 673565984 /nfs/dbraw/zinc/56/59/84/673565984.db2.gz JVEDRCFLSMNFDM-LBPRGKRZSA-N 1 0 339.400 -2.051 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043176825 673566088 /nfs/dbraw/zinc/56/60/88/673566088.db2.gz KSGREHXKBALFKG-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)CC1 ZINC001043176828 673566150 /nfs/dbraw/zinc/56/61/50/673566150.db2.gz KZTJTBIBZOSPTK-UHFFFAOYSA-N 1 0 337.384 -2.296 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043176867 673565977 /nfs/dbraw/zinc/56/59/77/673565977.db2.gz MHFOOFYUTXBMSX-UHFFFAOYSA-N 1 0 341.372 -3.059 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001043176923 673566386 /nfs/dbraw/zinc/56/63/86/673566386.db2.gz NUZGCULPUADJPJ-JTQLQIEISA-N 1 0 325.373 -2.297 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001043176924 673566427 /nfs/dbraw/zinc/56/64/27/673566427.db2.gz NUZGCULPUADJPJ-SNVBAGLBSA-N 1 0 325.373 -2.297 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043177004 673566515 /nfs/dbraw/zinc/56/65/15/673566515.db2.gz QLBDVWFXHSQRCB-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001043177009 673566517 /nfs/dbraw/zinc/56/65/17/673566517.db2.gz QPYDATNMUOQFNM-LLVKDONJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001043177010 673566417 /nfs/dbraw/zinc/56/64/17/673566417.db2.gz QPYDATNMUOQFNM-NSHDSACASA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043177014 673566745 /nfs/dbraw/zinc/56/67/45/673566745.db2.gz QUQADPKEUMUBIL-UHFFFAOYSA-N 1 0 335.368 -2.542 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043177072 673566734 /nfs/dbraw/zinc/56/67/34/673566734.db2.gz TZRRZAMTTSMZOK-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)CC[N@@H+]1C ZINC001043178023 673567362 /nfs/dbraw/zinc/56/73/62/673567362.db2.gz BPUBWVKDKARIGC-GHMZBOCLSA-N 1 0 337.384 -2.297 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178215 673567212 /nfs/dbraw/zinc/56/72/12/673567212.db2.gz GALIKZOKHLEWDB-LLVKDONJSA-N 1 0 337.384 -2.153 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178216 673567243 /nfs/dbraw/zinc/56/72/43/673567243.db2.gz GALIKZOKHLEWDB-NSHDSACASA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001043178398 673567631 /nfs/dbraw/zinc/56/76/31/673567631.db2.gz IUYFYXHMGFUNTC-NXEZZACHSA-N 1 0 346.351 -2.111 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)CCC1 ZINC001043178401 673567657 /nfs/dbraw/zinc/56/76/57/673567657.db2.gz IZKWWAFOWGDYGL-UHFFFAOYSA-N 1 0 337.384 -2.153 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178449 673567835 /nfs/dbraw/zinc/56/78/35/673567835.db2.gz LMDZGBIQLLXCAH-UHFFFAOYSA-N 1 0 339.400 -1.907 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001043178468 673567884 /nfs/dbraw/zinc/56/78/84/673567884.db2.gz MQITYUGQJJRWOE-LLVKDONJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001043178470 673567800 /nfs/dbraw/zinc/56/78/00/673567800.db2.gz MQITYUGQJJRWOE-NSHDSACASA-N 1 0 337.384 -2.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178502 673567808 /nfs/dbraw/zinc/56/78/08/673567808.db2.gz NDSRBJIZHUBVHF-UHFFFAOYSA-N 1 0 325.373 -2.297 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178706 673568363 /nfs/dbraw/zinc/56/83/63/673568363.db2.gz UUIDPFPODWJIFD-GHMZBOCLSA-N 1 0 337.384 -2.440 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178707 673568366 /nfs/dbraw/zinc/56/83/66/673568366.db2.gz UUIDPFPODWJIFD-MNOVXSKESA-N 1 0 337.384 -2.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178708 673568427 /nfs/dbraw/zinc/56/84/27/673568427.db2.gz UUIDPFPODWJIFD-QWRGUYRKSA-N 1 0 337.384 -2.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178709 673568386 /nfs/dbraw/zinc/56/83/86/673568386.db2.gz UUIDPFPODWJIFD-WDEREUQCSA-N 1 0 337.384 -2.440 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1)C1CC1 ZINC001043178714 673568535 /nfs/dbraw/zinc/56/85/35/673568535.db2.gz UWVSKWFXDOFLBH-GFCCVEGCSA-N 1 0 337.384 -2.297 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1)C1CC1 ZINC001043178715 673568457 /nfs/dbraw/zinc/56/84/57/673568457.db2.gz UWVSKWFXDOFLBH-LBPRGKRZSA-N 1 0 337.384 -2.297 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178780 673568371 /nfs/dbraw/zinc/56/83/71/673568371.db2.gz XUBBZNDQRIVEAP-LLVKDONJSA-N 1 0 337.384 -2.153 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043178781 673568396 /nfs/dbraw/zinc/56/83/96/673568396.db2.gz XUBBZNDQRIVEAP-NSHDSACASA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001043179584 673568695 /nfs/dbraw/zinc/56/86/95/673568695.db2.gz ALJRCXGNLIUVCV-LLVKDONJSA-N 1 0 334.380 -1.550 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2nc[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001043179585 673568735 /nfs/dbraw/zinc/56/87/35/673568735.db2.gz ALJRCXGNLIUVCV-NSHDSACASA-N 1 0 334.380 -1.550 20 0 EAADRO O=C(Cn1nccn1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043179589 673568764 /nfs/dbraw/zinc/56/87/64/673568764.db2.gz AMZTZGKFORDUIR-CYBMUJFWSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1nccn1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043179590 673568813 /nfs/dbraw/zinc/56/88/13/673568813.db2.gz AMZTZGKFORDUIR-ZDUSSCGKSA-N 1 0 348.407 -1.691 20 0 EAADRO NC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043179615 673568793 /nfs/dbraw/zinc/56/87/93/673568793.db2.gz BBSQBRBHZJRHSO-LLVKDONJSA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043179616 673568718 /nfs/dbraw/zinc/56/87/18/673568718.db2.gz BBSQBRBHZJRHSO-NSHDSACASA-N 1 0 339.396 -2.314 20 0 EAADRO O=C(Cn1cccn1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043179790 673568785 /nfs/dbraw/zinc/56/87/85/673568785.db2.gz DWWZIBZAVXRVDF-AWEZNQCLSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1cccn1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043179791 673568712 /nfs/dbraw/zinc/56/87/12/673568712.db2.gz DWWZIBZAVXRVDF-CQSZACIVSA-N 1 0 347.419 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001043179808 673568787 /nfs/dbraw/zinc/56/87/87/673568787.db2.gz FNNXPHGXTTYGKV-GFCCVEGCSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001043179809 673568723 /nfs/dbraw/zinc/56/87/23/673568723.db2.gz FNNXPHGXTTYGKV-LBPRGKRZSA-N 1 0 348.407 -1.540 20 0 EAADRO COc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001043179824 673568700 /nfs/dbraw/zinc/56/87/00/673568700.db2.gz FWCBBZOIZHSSGQ-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001043179825 673568698 /nfs/dbraw/zinc/56/86/98/673568698.db2.gz FWCBBZOIZHSSGQ-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043179997 673569132 /nfs/dbraw/zinc/56/91/32/673569132.db2.gz IGBATMXFUYIOKY-CYBMUJFWSA-N 1 0 338.408 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043179998 673569034 /nfs/dbraw/zinc/56/90/34/673569034.db2.gz IGBATMXFUYIOKY-ZDUSSCGKSA-N 1 0 338.408 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043180049 673569014 /nfs/dbraw/zinc/56/90/14/673569014.db2.gz JGXRVMZLFJQERY-GFCCVEGCSA-N 1 0 338.408 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043180052 673569060 /nfs/dbraw/zinc/56/90/60/673569060.db2.gz JGXRVMZLFJQERY-LBPRGKRZSA-N 1 0 338.408 -1.846 20 0 EAADRO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043180204 673569056 /nfs/dbraw/zinc/56/90/56/673569056.db2.gz KJNDFKDHFGVBFY-GFCCVEGCSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043180205 673568991 /nfs/dbraw/zinc/56/89/91/673568991.db2.gz KJNDFKDHFGVBFY-LBPRGKRZSA-N 1 0 348.407 -1.540 20 0 EAADRO COc1cc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)ncn1 ZINC001043180250 673569121 /nfs/dbraw/zinc/56/91/21/673569121.db2.gz LTAKVVTVJNWZCB-UHFFFAOYSA-N 1 0 337.380 -1.260 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043180283 673568989 /nfs/dbraw/zinc/56/89/89/673568989.db2.gz MTFLVLNKCKMRMH-CYBMUJFWSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043180284 673569051 /nfs/dbraw/zinc/56/90/51/673569051.db2.gz MTFLVLNKCKMRMH-ZDUSSCGKSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043180604 673568993 /nfs/dbraw/zinc/56/89/93/673568993.db2.gz QJVIKZRBBZOQCZ-AWEZNQCLSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043180605 673569000 /nfs/dbraw/zinc/56/90/00/673569000.db2.gz QJVIKZRBBZOQCZ-CQSZACIVSA-N 1 0 347.419 -1.017 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001043180628 673569117 /nfs/dbraw/zinc/56/91/17/673569117.db2.gz RGKAYZPCDUJAPR-GFCCVEGCSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001043180629 673569141 /nfs/dbraw/zinc/56/91/41/673569141.db2.gz RGKAYZPCDUJAPR-LBPRGKRZSA-N 1 0 348.407 -1.540 20 0 EAADRO COc1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)ncn1 ZINC001043180678 673569024 /nfs/dbraw/zinc/56/90/24/673569024.db2.gz SQKOZGHQYYLHAW-GFCCVEGCSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)ncn1 ZINC001043180679 673569009 /nfs/dbraw/zinc/56/90/09/673569009.db2.gz SQKOZGHQYYLHAW-LBPRGKRZSA-N 1 0 349.391 -1.118 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2cnon2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001043180819 668945740 /nfs/dbraw/zinc/94/57/40/668945740.db2.gz VCBOBNSADSSQHS-LLVKDONJSA-N 1 0 335.364 -1.286 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2cnon2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001043180820 668945900 /nfs/dbraw/zinc/94/59/00/668945900.db2.gz VCBOBNSADSSQHS-NSHDSACASA-N 1 0 335.364 -1.286 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001043180847 673569101 /nfs/dbraw/zinc/56/91/01/673569101.db2.gz VPFGKUZMZRRZAT-GFCCVEGCSA-N 1 0 348.407 -1.540 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001043180848 673569159 /nfs/dbraw/zinc/56/91/59/673569159.db2.gz VPFGKUZMZRRZAT-LBPRGKRZSA-N 1 0 348.407 -1.540 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001043180870 673569049 /nfs/dbraw/zinc/56/90/49/673569049.db2.gz WXKRMFOATIVUSE-BYNSBNAKSA-N 1 0 349.431 -1.090 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001043180871 673569022 /nfs/dbraw/zinc/56/90/22/673569022.db2.gz WXKRMFOATIVUSE-KBXIAJHMSA-N 1 0 349.431 -1.090 20 0 EAADRO COc1cc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)ncn1 ZINC001043180873 673569081 /nfs/dbraw/zinc/56/90/81/673569081.db2.gz XAKQFFBVHVCOLN-UHFFFAOYSA-N 1 0 349.391 -1.116 20 0 EAADRO O=C(Cn1ncnn1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043181016 673569314 /nfs/dbraw/zinc/56/93/14/673569314.db2.gz YIZFDSIAVYLTJP-GFCCVEGCSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1ncnn1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043181017 673569374 /nfs/dbraw/zinc/56/93/74/673569374.db2.gz YIZFDSIAVYLTJP-LBPRGKRZSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043181041 673569383 /nfs/dbraw/zinc/56/93/83/673569383.db2.gz YXZKEVGLGITLJA-GFCCVEGCSA-N 1 0 348.407 -1.622 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043181042 673569390 /nfs/dbraw/zinc/56/93/90/673569390.db2.gz YXZKEVGLGITLJA-LBPRGKRZSA-N 1 0 348.407 -1.622 20 0 EAADRO O=C(Cn1cnnn1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043181048 673569377 /nfs/dbraw/zinc/56/93/77/673569377.db2.gz ZHQLUAPDHUKTKZ-GFCCVEGCSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1cnnn1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043181049 673569350 /nfs/dbraw/zinc/56/93/50/673569350.db2.gz ZHQLUAPDHUKTKZ-LBPRGKRZSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2cn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001043181653 673569371 /nfs/dbraw/zinc/56/93/71/673569371.db2.gz PEVSCQYLSVYWFJ-LLVKDONJSA-N 1 0 334.380 -1.550 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2cn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001043181654 673569477 /nfs/dbraw/zinc/56/94/77/673569477.db2.gz PEVSCQYLSVYWFJ-NSHDSACASA-N 1 0 334.380 -1.550 20 0 EAADRO O=C(Cn1cncn1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043182220 673569466 /nfs/dbraw/zinc/56/94/66/673569466.db2.gz AFRKTENQLDUPOZ-CYBMUJFWSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1cncn1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043182221 673569319 /nfs/dbraw/zinc/56/93/19/673569319.db2.gz AFRKTENQLDUPOZ-ZDUSSCGKSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1ccnc1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043182253 673569322 /nfs/dbraw/zinc/56/93/22/673569322.db2.gz CZAGVMKLMOCUJR-AWEZNQCLSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1ccnc1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043182254 673569470 /nfs/dbraw/zinc/56/94/70/673569470.db2.gz CZAGVMKLMOCUJR-CQSZACIVSA-N 1 0 347.419 -1.086 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001043182287 673569481 /nfs/dbraw/zinc/56/94/81/673569481.db2.gz HMAZRGKRCSSJFA-LLVKDONJSA-N 1 0 349.395 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001043182288 673569340 /nfs/dbraw/zinc/56/93/40/673569340.db2.gz HMAZRGKRCSSJFA-NSHDSACASA-N 1 0 349.395 -2.145 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043182444 673569412 /nfs/dbraw/zinc/56/94/12/673569412.db2.gz LVIPQBKHZRMDNT-AWEZNQCLSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043182445 673569517 /nfs/dbraw/zinc/56/95/17/673569517.db2.gz LVIPQBKHZRMDNT-CQSZACIVSA-N 1 0 347.419 -1.017 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043182462 673569355 /nfs/dbraw/zinc/56/93/55/673569355.db2.gz NCISTIZORQPZKA-GFCCVEGCSA-N 1 0 348.407 -1.242 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043182463 673569452 /nfs/dbraw/zinc/56/94/52/673569452.db2.gz NCISTIZORQPZKA-LBPRGKRZSA-N 1 0 348.407 -1.242 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043189345 673569772 /nfs/dbraw/zinc/56/97/72/673569772.db2.gz DEPISIONEDGMOL-LLVKDONJSA-N 1 0 345.421 -2.185 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043189346 673569763 /nfs/dbraw/zinc/56/97/63/673569763.db2.gz DEPISIONEDGMOL-NSHDSACASA-N 1 0 345.421 -2.185 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1)[NH+](C)C ZINC001043189789 673569988 /nfs/dbraw/zinc/56/99/88/673569988.db2.gz RQUXUOZJXKDSTR-LLVKDONJSA-N 1 0 347.437 -1.939 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1)[NH+](C)C ZINC001043189790 673569967 /nfs/dbraw/zinc/56/99/67/673569967.db2.gz RQUXUOZJXKDSTR-NSHDSACASA-N 1 0 347.437 -1.939 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043191501 673570362 /nfs/dbraw/zinc/57/03/62/673570362.db2.gz HSCOLJNTOLEZDJ-UHFFFAOYSA-N 1 0 347.437 -1.938 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043191806 673570328 /nfs/dbraw/zinc/57/03/28/673570328.db2.gz LJLDGPZGZWKGIN-UHFFFAOYSA-N 1 0 347.437 -1.938 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043192115 673570639 /nfs/dbraw/zinc/57/06/39/673570639.db2.gz QDBCUXOOWYLZOA-UHFFFAOYSA-N 1 0 333.410 -2.328 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043192263 673570565 /nfs/dbraw/zinc/57/05/65/673570565.db2.gz TURXHDYQSBHXDY-UHFFFAOYSA-N 1 0 347.437 -1.938 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043192705 673570663 /nfs/dbraw/zinc/57/06/63/673570663.db2.gz ZBXZMNNUTJYZAH-UHFFFAOYSA-N 1 0 347.437 -1.938 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043193771 673570609 /nfs/dbraw/zinc/57/06/09/673570609.db2.gz KLXDPTMZWVOVCE-UHFFFAOYSA-N 1 0 345.421 -2.184 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001043194107 673570819 /nfs/dbraw/zinc/57/08/19/673570819.db2.gz OVYAODMTIJUAGH-JTQLQIEISA-N 1 0 345.421 -2.328 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001043194108 673570822 /nfs/dbraw/zinc/57/08/22/673570822.db2.gz OVYAODMTIJUAGH-SNVBAGLBSA-N 1 0 345.421 -2.328 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001043194531 673570857 /nfs/dbraw/zinc/57/08/57/673570857.db2.gz YUCMIRLQFIIRSZ-UHFFFAOYSA-N 1 0 347.437 -1.939 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001043202179 673570864 /nfs/dbraw/zinc/57/08/64/673570864.db2.gz AHZXCTZGRSUFRE-UHFFFAOYSA-N 1 0 347.379 -1.621 20 0 EAADRO O=C(Cn1nccn1)NCC1(O)CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001043210567 673571481 /nfs/dbraw/zinc/57/14/81/673571481.db2.gz DUIAAIPCLCJYMR-HNNXBMFYSA-N 1 0 348.407 -1.547 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001043210890 673571708 /nfs/dbraw/zinc/57/17/08/673571708.db2.gz KYEUJAIAFDIEQP-CYBMUJFWSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001043210891 673571801 /nfs/dbraw/zinc/57/18/01/673571801.db2.gz KYEUJAIAFDIEQP-ZDUSSCGKSA-N 1 0 338.412 -1.446 20 0 EAADRO O=C(Cn1nccn1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043211002 673571688 /nfs/dbraw/zinc/57/16/88/673571688.db2.gz OYMXKRWFTBZJCF-CYBMUJFWSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1nccn1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043211003 673571772 /nfs/dbraw/zinc/57/17/72/673571772.db2.gz OYMXKRWFTBZJCF-ZDUSSCGKSA-N 1 0 348.407 -1.691 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cn3nccn3)C2)CC1 ZINC001043211030 673571715 /nfs/dbraw/zinc/57/17/15/673571715.db2.gz QDELWMGPCQWYIA-UHFFFAOYSA-N 1 0 336.396 -1.691 20 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/nfs/dbraw/zinc/57/20/68/673572068.db2.gz BFDWVCKWTUJAGD-LBPRGKRZSA-N 1 0 336.396 -1.691 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043211919 673572029 /nfs/dbraw/zinc/57/20/29/673572029.db2.gz CBJVAIPHBVPTKX-UHFFFAOYSA-N 1 0 340.384 -2.454 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043211968 673572276 /nfs/dbraw/zinc/57/22/76/673572276.db2.gz DQHBGLZNHGTIAT-NEPJUHHUSA-N 1 0 336.396 -1.835 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043211969 673572281 /nfs/dbraw/zinc/57/22/81/673572281.db2.gz DQHBGLZNHGTIAT-NWDGAFQWSA-N 1 0 336.396 -1.835 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043211970 673572330 /nfs/dbraw/zinc/57/23/30/673572330.db2.gz DQHBGLZNHGTIAT-RYUDHWBXSA-N 1 0 336.396 -1.835 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043211971 673572288 /nfs/dbraw/zinc/57/22/88/673572288.db2.gz DQHBGLZNHGTIAT-VXGBXAGGSA-N 1 0 336.396 -1.835 20 0 EAADRO O=C(Cn1nccn1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043211994 673572259 /nfs/dbraw/zinc/57/22/59/673572259.db2.gz FHCYKVBJOSNICO-UHFFFAOYSA-N 1 0 334.380 -1.937 20 0 EAADRO O=C(Cn1nccn1)NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043212240 673572542 /nfs/dbraw/zinc/57/25/42/673572542.db2.gz PDKSNZJDAZWKRO-UHFFFAOYSA-N 1 0 348.407 -1.404 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1)C1CC1 ZINC001043212242 673572530 /nfs/dbraw/zinc/57/25/30/673572530.db2.gz PGPAZHZXTVIQKM-CYBMUJFWSA-N 1 0 336.396 -1.692 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1)C1CC1 ZINC001043212243 673572580 /nfs/dbraw/zinc/57/25/80/673572580.db2.gz PGPAZHZXTVIQKM-ZDUSSCGKSA-N 1 0 336.396 -1.692 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043212404 673573061 /nfs/dbraw/zinc/57/30/61/673573061.db2.gz WLFBSNBZRAPTDN-GFCCVEGCSA-N 1 0 336.396 -1.548 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043212405 673573119 /nfs/dbraw/zinc/57/31/19/673573119.db2.gz WLFBSNBZRAPTDN-LBPRGKRZSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001043212414 673573008 /nfs/dbraw/zinc/57/30/08/673573008.db2.gz XBRLNLCPQDKURT-GFCCVEGCSA-N 1 0 336.396 -1.691 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001043212415 673573034 /nfs/dbraw/zinc/57/30/34/673573034.db2.gz XBRLNLCPQDKURT-LBPRGKRZSA-N 1 0 336.396 -1.691 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043213693 673573357 /nfs/dbraw/zinc/57/33/57/673573357.db2.gz GNWIQBMDKRAKRM-UHFFFAOYSA-N 1 0 338.412 -1.302 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1)C1CCC1 ZINC001043213715 673573439 /nfs/dbraw/zinc/57/34/39/673573439.db2.gz HWXYFNCQBZPIMS-UHFFFAOYSA-N 1 0 336.396 -1.548 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cn3nccn3)C2)CC[N@@H+]1C ZINC001043213780 673573353 /nfs/dbraw/zinc/57/33/53/673573353.db2.gz KWWZBGJQCLCLON-VXGBXAGGSA-N 1 0 336.396 -1.692 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043214046 673573705 /nfs/dbraw/zinc/57/37/05/673573705.db2.gz WNEYDJAHPFKIDD-GFCCVEGCSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043214047 673573611 /nfs/dbraw/zinc/57/36/11/673573611.db2.gz WNEYDJAHPFKIDD-LBPRGKRZSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCc3cn[nH]c3)C2)C1 ZINC001043220545 673574698 /nfs/dbraw/zinc/57/46/98/673574698.db2.gz PFSPXQCGESNWQO-CYBMUJFWSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCc3cn[nH]c3)C2)C1 ZINC001043220546 673574665 /nfs/dbraw/zinc/57/46/65/673574665.db2.gz PFSPXQCGESNWQO-ZDUSSCGKSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001043222783 673575002 /nfs/dbraw/zinc/57/50/02/673575002.db2.gz XDGJLFZVUONWPP-UHFFFAOYSA-N 1 0 339.396 -1.401 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001043235481 673576056 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CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043266910 673578235 /nfs/dbraw/zinc/57/82/35/673578235.db2.gz ODBSTRWGTCJFMK-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001043267074 673578214 /nfs/dbraw/zinc/57/82/14/673578214.db2.gz PSHSYUTXJUJVEF-TZMCWYRMSA-N 1 0 349.435 -1.008 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC(=O)N3)C2)CC[N@@H+]1C ZINC001043267098 673578229 /nfs/dbraw/zinc/57/82/29/673578229.db2.gz PXQIFMRSSRPJFJ-IJLUTSLNSA-N 1 0 338.408 -1.705 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043267396 673578369 /nfs/dbraw/zinc/57/83/69/673578369.db2.gz SRBMTAPDMQVOIP-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001043267463 673578268 /nfs/dbraw/zinc/57/82/68/673578268.db2.gz UQPALSLSAQUWML-NXEZZACHSA-N 1 0 327.385 -2.316 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001043267516 673578209 /nfs/dbraw/zinc/57/82/09/673578209.db2.gz VIUHMAZCPMXCLK-GHMZBOCLSA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001043267563 673578272 /nfs/dbraw/zinc/57/82/72/673578272.db2.gz WFJBZDKFXRZBCO-VXGBXAGGSA-N 1 0 340.424 -1.506 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C3(C(N)=O)CC3)C2)CC[N@@H+]1C ZINC001043267763 673578216 /nfs/dbraw/zinc/57/82/16/673578216.db2.gz WMHHGHRXLXREMQ-GHMZBOCLSA-N 1 0 338.408 -1.718 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C3=COCCO3)C2)CC[N@@H+]1C ZINC001043267880 673578212 /nfs/dbraw/zinc/57/82/12/673578212.db2.gz XGSLIOSSDZCOKN-VXGBXAGGSA-N 1 0 339.392 -1.096 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043267957 673578311 /nfs/dbraw/zinc/57/83/11/673578311.db2.gz YGQYSABBZVRTIE-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043267984 673578197 /nfs/dbraw/zinc/57/81/97/673578197.db2.gz YOQDZPMFKAVHOU-DGCLKSJQSA-N 1 0 340.424 -1.506 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043268019 673578249 /nfs/dbraw/zinc/57/82/49/673578249.db2.gz ZCDKXTZIAJDYOH-GHMZBOCLSA-N 1 0 342.396 -1.628 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cn3nccn3)C2)CC[N@@H+]1C ZINC001043268044 673578147 /nfs/dbraw/zinc/57/81/47/673578147.db2.gz ZNKWVWZOKOIXJW-VXGBXAGGSA-N 1 0 336.396 -1.692 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CNC(C)=O)C2)CC[N@@H+]1C ZINC001043268648 673578231 /nfs/dbraw/zinc/57/82/31/673578231.db2.gz DQOWQIWXHTYOSH-QWHCGFSZSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001043268904 673578297 /nfs/dbraw/zinc/57/82/97/673578297.db2.gz FRGCHJDXQOJLBL-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CC(=O)NC)C2)CC[N@@H+]1C ZINC001043271713 673578582 /nfs/dbraw/zinc/57/85/82/673578582.db2.gz JQFGAQNEGDASDP-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001043271830 673578532 /nfs/dbraw/zinc/57/85/32/673578532.db2.gz LEYWHPDMSCNADG-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CC[N@@H+]1C ZINC001043272535 673578593 /nfs/dbraw/zinc/57/85/93/673578593.db2.gz UBGBADFRVIXESX-WDEREUQCSA-N 1 0 336.396 -1.162 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)CC[N@@H+]1C ZINC001043273305 673578515 /nfs/dbraw/zinc/57/85/15/673578515.db2.gz ZWSHODMAMIFBAG-CMPLNLGQSA-N 1 0 336.396 -1.162 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001043284850 673579197 /nfs/dbraw/zinc/57/91/97/673579197.db2.gz BQSALVYNTZXLMX-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001043284853 673579147 /nfs/dbraw/zinc/57/91/47/673579147.db2.gz BQSALVYNTZXLMX-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001043284901 673579227 /nfs/dbraw/zinc/57/92/27/673579227.db2.gz CKXIVHOMWMYWET-LLVKDONJSA-N 1 0 347.437 -1.795 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001043284903 673579106 /nfs/dbraw/zinc/57/91/06/673579106.db2.gz CKXIVHOMWMYWET-NSHDSACASA-N 1 0 347.437 -1.795 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001043290537 673581070 /nfs/dbraw/zinc/58/10/70/673581070.db2.gz FLAHQUIYCCXNNO-UHFFFAOYSA-N 1 0 338.408 -1.175 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001043295601 673581327 /nfs/dbraw/zinc/58/13/27/673581327.db2.gz BLNKKNYUAGNKJM-UHFFFAOYSA-N 1 0 349.391 -1.565 20 0 EAADRO Cn1nccc1CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043325378 673582834 /nfs/dbraw/zinc/58/28/34/673582834.db2.gz HFADUOXZNQLVCO-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043325380 673582841 /nfs/dbraw/zinc/58/28/41/673582841.db2.gz HFADUOXZNQLVCO-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043326272 673582853 /nfs/dbraw/zinc/58/28/53/673582853.db2.gz PWEZIRDKUUECFF-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1ccc(CCC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043326843 673582756 /nfs/dbraw/zinc/58/27/56/673582756.db2.gz VPIYUJVYBVJKCM-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CCC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043326846 673582812 /nfs/dbraw/zinc/58/28/12/673582812.db2.gz VPIYUJVYBVJKCM-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CCC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)n1 ZINC001043326880 673582709 /nfs/dbraw/zinc/58/27/09/673582709.db2.gz VZBDUFWUFLZCHI-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 ZINC001043334197 673582990 /nfs/dbraw/zinc/58/29/90/673582990.db2.gz GRFIFZGNELRNQJ-GFCCVEGCSA-N 1 0 346.403 -1.508 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 ZINC001043334198 673583012 /nfs/dbraw/zinc/58/30/12/673583012.db2.gz GRFIFZGNELRNQJ-LBPRGKRZSA-N 1 0 346.403 -1.508 20 0 EAADRO C[NH+](C)Cc1ccsc1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043335220 673583280 /nfs/dbraw/zinc/58/32/80/673583280.db2.gz PIJZNJBCLURZCM-UHFFFAOYSA-N 1 0 340.405 -1.402 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043335558 673583276 /nfs/dbraw/zinc/58/32/76/673583276.db2.gz RJWKAMFIIMAKKY-JTQLQIEISA-N 1 0 342.375 -1.212 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043335561 673583313 /nfs/dbraw/zinc/58/33/13/673583313.db2.gz RJWKAMFIIMAKKY-SNVBAGLBSA-N 1 0 342.375 -1.212 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043337074 673583318 /nfs/dbraw/zinc/58/33/18/673583318.db2.gz KWEWLNMZDCPHDK-JTQLQIEISA-N 1 0 347.391 -1.976 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043337083 673583292 /nfs/dbraw/zinc/58/32/92/673583292.db2.gz KWEWLNMZDCPHDK-SNVBAGLBSA-N 1 0 347.391 -1.976 20 0 EAADRO Cc1c(CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)cnn1C ZINC001043337798 673583307 /nfs/dbraw/zinc/58/33/07/673583307.db2.gz CJDGMLNXVONERY-UHFFFAOYSA-N 1 0 337.424 -1.088 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043338170 673583296 /nfs/dbraw/zinc/58/32/96/673583296.db2.gz QAYOWAZGIRDOEA-JTQLQIEISA-N 1 0 332.376 -1.769 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043338179 673583443 /nfs/dbraw/zinc/58/34/43/673583443.db2.gz QAYOWAZGIRDOEA-SNVBAGLBSA-N 1 0 332.376 -1.769 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043339538 673583265 /nfs/dbraw/zinc/58/32/65/673583265.db2.gz VQKFQUDCELCWOD-JTQLQIEISA-N 1 0 342.375 -1.212 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043339540 673583771 /nfs/dbraw/zinc/58/37/71/673583771.db2.gz VQKFQUDCELCWOD-SNVBAGLBSA-N 1 0 342.375 -1.212 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 ZINC001043340280 673583659 /nfs/dbraw/zinc/58/36/59/673583659.db2.gz ZZEHYERGOMJPTG-LLVKDONJSA-N 1 0 346.403 -1.508 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 ZINC001043340281 673583696 /nfs/dbraw/zinc/58/36/96/673583696.db2.gz ZZEHYERGOMJPTG-NSHDSACASA-N 1 0 346.403 -1.508 20 0 EAADRO Cc1c(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001043341224 673583726 /nfs/dbraw/zinc/58/37/26/673583726.db2.gz YRLCZWLDAFNDRB-CYBMUJFWSA-N 1 0 349.435 -1.088 20 0 EAADRO Cc1c(CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cnn1C ZINC001043341225 673583637 /nfs/dbraw/zinc/58/36/37/673583637.db2.gz YRLCZWLDAFNDRB-ZDUSSCGKSA-N 1 0 349.435 -1.088 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCCn2ccnn2)C1 ZINC001043352182 673584408 /nfs/dbraw/zinc/58/44/08/673584408.db2.gz GQWWFZAFIIZDDO-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(C[C@H]1CCC(=O)NC1)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001043358532 673585226 /nfs/dbraw/zinc/58/52/26/673585226.db2.gz ICBICWKSJUJIJJ-GFCCVEGCSA-N 1 0 349.391 -1.511 20 0 EAADRO O=C(C[C@@H]1CCC(=O)NC1)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001043358535 673585310 /nfs/dbraw/zinc/58/53/10/673585310.db2.gz ICBICWKSJUJIJJ-LBPRGKRZSA-N 1 0 349.391 -1.511 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001043358830 673585213 /nfs/dbraw/zinc/58/52/13/673585213.db2.gz BHFGHQHLCXBNDL-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001043358832 673585264 /nfs/dbraw/zinc/58/52/64/673585264.db2.gz BHFGHQHLCXBNDL-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001043358835 673585177 /nfs/dbraw/zinc/58/51/77/673585177.db2.gz BHFGHQHLCXBNDL-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001043358837 673585238 /nfs/dbraw/zinc/58/52/38/673585238.db2.gz BHFGHQHLCXBNDL-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccnc3ccnn32)C1 ZINC001043359148 673585185 /nfs/dbraw/zinc/58/51/85/673585185.db2.gz LFDPVSBDNLDVID-UHFFFAOYSA-N 1 0 346.391 -1.016 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001043361153 673585595 /nfs/dbraw/zinc/58/55/95/673585595.db2.gz YDWJYACTIKOLAH-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001043361155 673585788 /nfs/dbraw/zinc/58/57/88/673585788.db2.gz YDWJYACTIKOLAH-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@]12C[C@H]1COC2 ZINC001043362112 673586152 /nfs/dbraw/zinc/58/61/52/673586152.db2.gz MDVWJGOXLHAUKT-SJCJKPOMSA-N 1 0 335.404 -1.192 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001043363302 673586688 /nfs/dbraw/zinc/58/66/88/673586688.db2.gz YVORHGAYOBDFCV-LRDDRELGSA-N 1 0 341.408 -1.709 20 0 EAADRO CCn1nnc(C)c1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043363349 673586769 /nfs/dbraw/zinc/58/67/69/673586769.db2.gz QGBXDXOOVRKCJO-UHFFFAOYSA-N 1 0 338.412 -1.139 20 0 EAADRO O=C(C[C@H]1CCNC1=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043364382 673587704 /nfs/dbraw/zinc/58/77/04/673587704.db2.gz CWEHFXYWZISIHN-GFCCVEGCSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043364384 673587746 /nfs/dbraw/zinc/58/77/46/673587746.db2.gz CWEHFXYWZISIHN-LBPRGKRZSA-N 1 0 338.408 -1.702 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001043366043 673588041 /nfs/dbraw/zinc/58/80/41/673588041.db2.gz NNYVMEZRTHNYNY-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001043366047 673588061 /nfs/dbraw/zinc/58/80/61/673588061.db2.gz NNYVMEZRTHNYNY-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001043366463 673588051 /nfs/dbraw/zinc/58/80/51/673588051.db2.gz PKYJNSCHCDOYPV-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001043366466 673588027 /nfs/dbraw/zinc/58/80/27/673588027.db2.gz PKYJNSCHCDOYPV-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001043366469 673588312 /nfs/dbraw/zinc/58/83/12/673588312.db2.gz PKYJNSCHCDOYPV-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001043366473 673588437 /nfs/dbraw/zinc/58/84/37/673588437.db2.gz PKYJNSCHCDOYPV-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001043366958 673588234 /nfs/dbraw/zinc/58/82/34/673588234.db2.gz RIXJGPALXVTSNS-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001043366960 673588222 /nfs/dbraw/zinc/58/82/22/673588222.db2.gz RIXJGPALXVTSNS-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001043366998 673588287 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CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN(Cc2nnnn2C)C1 ZINC001043391095 673590514 /nfs/dbraw/zinc/59/05/14/673590514.db2.gz IMZZJICOFKAMFQ-RYCVTPFZSA-N 1 0 347.423 -1.284 20 0 EAADRO CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN(Cc2nnnn2C)C1 ZINC001043391098 673590526 /nfs/dbraw/zinc/59/05/26/673590526.db2.gz IMZZJICOFKAMFQ-ULKWEWGCSA-N 1 0 347.423 -1.284 20 0 EAADRO CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN([C@@H]2CCNC2=O)C1 ZINC001043392035 673590651 /nfs/dbraw/zinc/59/06/51/673590651.db2.gz OTCWARMQRZCKRZ-AYOMXYJGSA-N 1 0 334.420 -1.119 20 0 EAADRO CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN([C@H]2CCNC2=O)C1 ZINC001043392036 673590688 /nfs/dbraw/zinc/59/06/88/673590688.db2.gz OTCWARMQRZCKRZ-GODPOGMQSA-N 1 0 334.420 -1.119 20 0 EAADRO CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN([C@@H]2CCNC2=O)C1 ZINC001043392037 673590711 /nfs/dbraw/zinc/59/07/11/673590711.db2.gz OTCWARMQRZCKRZ-USRBBDPCSA-N 1 0 334.420 -1.119 20 0 EAADRO CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN([C@H]2CCNC2=O)C1 ZINC001043392038 673590786 /nfs/dbraw/zinc/59/07/86/673590786.db2.gz OTCWARMQRZCKRZ-XQZPOBRMSA-N 1 0 334.420 -1.119 20 0 EAADRO CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN(Cc2nnn(C)n2)C1 ZINC001043392980 673590661 /nfs/dbraw/zinc/59/06/61/673590661.db2.gz ZORLARVZMXTTPP-RYCVTPFZSA-N 1 0 347.423 -1.284 20 0 EAADRO CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN(Cc2nnn(C)n2)C1 ZINC001043392982 673590623 /nfs/dbraw/zinc/59/06/23/673590623.db2.gz ZORLARVZMXTTPP-ULKWEWGCSA-N 1 0 347.423 -1.284 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043398774 673591461 /nfs/dbraw/zinc/59/14/61/673591461.db2.gz GTNAEUPQKKAOOC-LLVKDONJSA-N 1 0 344.412 -2.221 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043398782 673591464 /nfs/dbraw/zinc/59/14/64/673591464.db2.gz GTNAEUPQKKAOOC-NSHDSACASA-N 1 0 344.412 -2.221 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043401171 673592095 /nfs/dbraw/zinc/59/20/95/673592095.db2.gz XPEXJZXDJFGPQH-UHFFFAOYSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043401550 673592856 /nfs/dbraw/zinc/59/28/56/673592856.db2.gz ARXCSKYYWQHRLD-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043401552 673592844 /nfs/dbraw/zinc/59/28/44/673592844.db2.gz ARXCSKYYWQHRLD-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001043401597 673592827 /nfs/dbraw/zinc/59/28/27/673592827.db2.gz BKTQBOLIGVIWPT-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001043401598 673592882 /nfs/dbraw/zinc/59/28/82/673592882.db2.gz BKTQBOLIGVIWPT-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO COCC(=O)N(C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043402154 673593178 /nfs/dbraw/zinc/59/31/78/673593178.db2.gz LZUWFDCOFSXPFA-UHFFFAOYSA-N 1 0 344.412 -2.268 20 0 EAADRO CN(CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)C(=O)C1CC1 ZINC001043402524 673593457 /nfs/dbraw/zinc/59/34/57/673593457.db2.gz OUFIZEICONFECU-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043402799 673593715 /nfs/dbraw/zinc/59/37/15/673593715.db2.gz HLAVQEYDTVYOPI-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043402802 673593807 /nfs/dbraw/zinc/59/38/07/673593807.db2.gz HLAVQEYDTVYOPI-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043402804 673593707 /nfs/dbraw/zinc/59/37/07/673593707.db2.gz HLAVQEYDTVYOPI-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043402806 673593830 /nfs/dbraw/zinc/59/38/30/673593830.db2.gz HLAVQEYDTVYOPI-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001043404060 673595045 /nfs/dbraw/zinc/59/50/45/673595045.db2.gz MGBYYCAPCVWEEV-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001043404061 673594990 /nfs/dbraw/zinc/59/49/90/673594990.db2.gz MGBYYCAPCVWEEV-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001043404159 673595042 /nfs/dbraw/zinc/59/50/42/673595042.db2.gz FWVBGZNVOFTWIN-GFCCVEGCSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001043404160 673595068 /nfs/dbraw/zinc/59/50/68/673595068.db2.gz FWVBGZNVOFTWIN-LBPRGKRZSA-N 1 0 340.424 -1.506 20 0 EAADRO CCN1C[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC1=O ZINC001043404163 673594978 /nfs/dbraw/zinc/59/49/78/673594978.db2.gz FXTNQUKKAVGPME-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CCN1C[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC1=O ZINC001043404164 673594975 /nfs/dbraw/zinc/59/49/75/673594975.db2.gz FXTNQUKKAVGPME-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001043404618 673595162 /nfs/dbraw/zinc/59/51/62/673595162.db2.gz PRWQQVFDPKCUDA-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(=O)CC)C1 ZINC001043404619 673595491 /nfs/dbraw/zinc/59/54/91/673595491.db2.gz PRWQQVFDPKCUDA-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001043404733 673595675 /nfs/dbraw/zinc/59/56/75/673595675.db2.gz JYUCSSQJGGWLFB-NEPJUHHUSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001043404736 673595575 /nfs/dbraw/zinc/59/55/75/673595575.db2.gz JYUCSSQJGGWLFB-NWDGAFQWSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001043404739 673595590 /nfs/dbraw/zinc/59/55/90/673595590.db2.gz JYUCSSQJGGWLFB-RYUDHWBXSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001043404742 673595553 /nfs/dbraw/zinc/59/55/53/673595553.db2.gz JYUCSSQJGGWLFB-VXGBXAGGSA-N 1 0 340.424 -1.506 20 0 EAADRO CN1C[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1=O ZINC001043405383 673595861 /nfs/dbraw/zinc/59/58/61/673595861.db2.gz NPPDIKGCVJQCCN-NWDGAFQWSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1=O ZINC001043405384 673595874 /nfs/dbraw/zinc/59/58/74/673595874.db2.gz NPPDIKGCVJQCCN-VXGBXAGGSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC1=O ZINC001043405439 673596246 /nfs/dbraw/zinc/59/62/46/673596246.db2.gz OKJBPXOHTKOOAJ-GFCCVEGCSA-N 1 0 338.408 -1.750 20 0 EAADRO CN1C[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC1=O ZINC001043405440 673596306 /nfs/dbraw/zinc/59/63/06/673596306.db2.gz OKJBPXOHTKOOAJ-LBPRGKRZSA-N 1 0 338.408 -1.750 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043405591 673596172 /nfs/dbraw/zinc/59/61/72/673596172.db2.gz UIAVXAUQWCDBII-GFCCVEGCSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043405592 673596269 /nfs/dbraw/zinc/59/62/69/673596269.db2.gz UIAVXAUQWCDBII-LBPRGKRZSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043405626 673596344 /nfs/dbraw/zinc/59/63/44/673596344.db2.gz VJBIXGAXDMAOHC-NEPJUHHUSA-N 1 0 340.424 -1.315 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043405627 673596190 /nfs/dbraw/zinc/59/61/90/673596190.db2.gz VJBIXGAXDMAOHC-NWDGAFQWSA-N 1 0 340.424 -1.315 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043405628 673596217 /nfs/dbraw/zinc/59/62/17/673596217.db2.gz VJBIXGAXDMAOHC-RYUDHWBXSA-N 1 0 340.424 -1.315 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043405629 673596240 /nfs/dbraw/zinc/59/62/40/673596240.db2.gz VJBIXGAXDMAOHC-VXGBXAGGSA-N 1 0 340.424 -1.315 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001043405717 673596236 /nfs/dbraw/zinc/59/62/36/673596236.db2.gz WLXKVFPMUJNODC-NEPJUHHUSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043405720 673596317 /nfs/dbraw/zinc/59/63/17/673596317.db2.gz WLXKVFPMUJNODC-NWDGAFQWSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001043405722 673596215 /nfs/dbraw/zinc/59/62/15/673596215.db2.gz WLXKVFPMUJNODC-RYUDHWBXSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043405725 673596204 /nfs/dbraw/zinc/59/62/04/673596204.db2.gz WLXKVFPMUJNODC-VXGBXAGGSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043406138 673596565 /nfs/dbraw/zinc/59/65/65/673596565.db2.gz XWQABVAWXRHTRP-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043406140 673596588 /nfs/dbraw/zinc/59/65/88/673596588.db2.gz XWQABVAWXRHTRP-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001043406201 673596619 /nfs/dbraw/zinc/59/66/19/673596619.db2.gz YMANGMYXBTWLHS-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001043406202 673596590 /nfs/dbraw/zinc/59/65/90/673596590.db2.gz YMANGMYXBTWLHS-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CN1C[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1=O ZINC001043406251 673596601 /nfs/dbraw/zinc/59/66/01/673596601.db2.gz RYNPOOCJHNWYDX-NEPJUHHUSA-N 1 0 338.408 -1.894 20 0 EAADRO CN1C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1=O ZINC001043406252 673596610 /nfs/dbraw/zinc/59/66/10/673596610.db2.gz RYNPOOCJHNWYDX-NWDGAFQWSA-N 1 0 338.408 -1.894 20 0 EAADRO CN1C[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1=O ZINC001043406253 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COCCOCC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043451180 673608698 /nfs/dbraw/zinc/60/86/98/673608698.db2.gz ZKBVJAXWZQDKRM-UHFFFAOYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043453336 673609103 /nfs/dbraw/zinc/60/91/03/673609103.db2.gz BAISMIYGRWPNSL-LLVKDONJSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043453338 673609195 /nfs/dbraw/zinc/60/91/95/673609195.db2.gz BAISMIYGRWPNSL-NSHDSACASA-N 1 0 340.424 -1.328 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043453446 673609189 /nfs/dbraw/zinc/60/91/89/673609189.db2.gz BJYKGOWSPWZAAQ-GFCCVEGCSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043453448 673609222 /nfs/dbraw/zinc/60/92/22/673609222.db2.gz BJYKGOWSPWZAAQ-LBPRGKRZSA-N 1 0 343.424 -1.178 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043453470 673609026 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EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)Cc3nnc[nH]3)C2)CCC1 ZINC001043454098 673609004 /nfs/dbraw/zinc/60/90/04/673609004.db2.gz FLVJRTBRXFVIBS-UHFFFAOYSA-N 1 0 336.396 -1.479 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CCC1 ZINC001043454137 673608936 /nfs/dbraw/zinc/60/89/36/673608936.db2.gz GFNBXXNXAUDLHC-MNOVXSKESA-N 1 0 338.408 -1.718 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)Cn3ncnn3)C2)CCC1 ZINC001043454765 673609065 /nfs/dbraw/zinc/60/90/65/673609065.db2.gz HFXILWDTSYOHLQ-UHFFFAOYSA-N 1 0 337.384 -2.153 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)c3cnc[nH]c3=O)C2)CCC1 ZINC001043454770 673609200 /nfs/dbraw/zinc/60/92/00/673609200.db2.gz HIONIZUPKKHVIO-UHFFFAOYSA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043454780 673608954 /nfs/dbraw/zinc/60/89/54/673608954.db2.gz HTGKIANRWZVPJA-JTQLQIEISA-N 1 0 341.412 -1.783 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001043454814 673608949 /nfs/dbraw/zinc/60/89/49/673608949.db2.gz IDEZJZLZQQKGGK-UHFFFAOYSA-N 1 0 336.396 -1.398 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)CCC1 ZINC001043454832 673609225 /nfs/dbraw/zinc/60/92/25/673609225.db2.gz IHERMZXDFTXNOA-NSHDSACASA-N 1 0 338.408 -1.561 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CNC(=O)N3)C2)CCC1 ZINC001043454841 673609239 /nfs/dbraw/zinc/60/92/39/673609239.db2.gz IPHMTDUZLPFJCS-JTQLQIEISA-N 1 0 339.396 -2.158 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3CNC(=O)N3)C2)CCC1 ZINC001043454843 673608968 /nfs/dbraw/zinc/60/89/68/673608968.db2.gz IPHMTDUZLPFJCS-SNVBAGLBSA-N 1 0 339.396 -2.158 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043454950 673608996 /nfs/dbraw/zinc/60/89/96/673608996.db2.gz KJPGXBFYOBXYKI-UHFFFAOYSA-N 1 0 340.424 -1.362 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)Cn3cncn3)C2)CCC1 ZINC001043454991 673609045 /nfs/dbraw/zinc/60/90/45/673609045.db2.gz LAQLSIGZCVOQHE-UHFFFAOYSA-N 1 0 336.396 -1.548 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001043455144 673608913 /nfs/dbraw/zinc/60/89/13/673608913.db2.gz LLKRJGOSOFNMNK-UHFFFAOYSA-N 1 0 337.384 -2.003 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)Cn3nccn3)C2)CCC1 ZINC001043455197 673609130 /nfs/dbraw/zinc/60/91/30/673609130.db2.gz MCGZMTQFCOUIDU-UHFFFAOYSA-N 1 0 336.396 -1.548 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043455309 673608980 /nfs/dbraw/zinc/60/89/80/673608980.db2.gz NNZNJPCBYZBAMP-UHFFFAOYSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)CCCC(N)=O)C2)CCC1 ZINC001043455592 673609209 /nfs/dbraw/zinc/60/92/09/673609209.db2.gz NXXUZDIOMFKQHG-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043455617 673609235 /nfs/dbraw/zinc/60/92/35/673609235.db2.gz OKCIDDNLLHORNZ-UHFFFAOYSA-N 1 0 341.412 -1.911 20 0 EAADRO Cn1nncc1C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043455706 673609018 /nfs/dbraw/zinc/60/90/18/673609018.db2.gz POBCXANIXZZPNR-UHFFFAOYSA-N 1 0 336.396 -1.398 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)CCNC(N)=O)C2)CCC1 ZINC001043455723 673609206 /nfs/dbraw/zinc/60/92/06/673609206.db2.gz PTJIMVNFIUIPBT-UHFFFAOYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3COC(=O)N3)C2)CCC1 ZINC001043456347 673609093 /nfs/dbraw/zinc/60/90/93/673609093.db2.gz UGUYFLYMYRZUFC-JTQLQIEISA-N 1 0 340.380 -1.731 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3COC(=O)N3)C2)CCC1 ZINC001043456350 673608917 /nfs/dbraw/zinc/60/89/17/673608917.db2.gz UGUYFLYMYRZUFC-SNVBAGLBSA-N 1 0 340.380 -1.731 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)C3(C(N)=O)CC3)C2)CCC1 ZINC001043456747 673609082 /nfs/dbraw/zinc/60/90/82/673609082.db2.gz VNOZKDMPFRUAGW-UHFFFAOYSA-N 1 0 338.408 -1.574 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCNC3=O)C2)CCC1 ZINC001043456757 673609232 /nfs/dbraw/zinc/60/92/32/673609232.db2.gz VQOAWCHFGFZSHF-LLVKDONJSA-N 1 0 338.408 -1.704 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCNC3=O)C2)CCC1 ZINC001043456758 673608961 /nfs/dbraw/zinc/60/89/61/673608961.db2.gz VQOAWCHFGFZSHF-NSHDSACASA-N 1 0 338.408 -1.704 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)C(C)(C)C(N)=O)C2)CCC1 ZINC001043456956 673608931 /nfs/dbraw/zinc/60/89/31/673608931.db2.gz XVHPSQBWDLSYAM-UHFFFAOYSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043460806 673609461 /nfs/dbraw/zinc/60/94/61/673609461.db2.gz HZFQKYWMKYMQQU-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC001043460851 673609480 /nfs/dbraw/zinc/60/94/80/673609480.db2.gz IPBVIYZATQEARJ-UHFFFAOYSA-N 1 0 340.424 -1.471 20 0 EAADRO Cn1cncc1CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461041 673609521 /nfs/dbraw/zinc/60/95/21/673609521.db2.gz AMTCMNUSBNDWLU-HNNXBMFYSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cncc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461042 673609374 /nfs/dbraw/zinc/60/93/74/673609374.db2.gz AMTCMNUSBNDWLU-OAHLLOKOSA-N 1 0 349.435 -1.008 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1)C1CC1 ZINC001043461061 673609489 /nfs/dbraw/zinc/60/94/89/673609489.db2.gz AZDYFWJVOPHHLZ-AWEZNQCLSA-N 1 0 335.408 -1.087 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1)C1CC1 ZINC001043461062 673609416 /nfs/dbraw/zinc/60/94/16/673609416.db2.gz AZDYFWJVOPHHLZ-CQSZACIVSA-N 1 0 335.408 -1.087 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1)C1CC1 ZINC001043461063 673609496 /nfs/dbraw/zinc/60/94/96/673609496.db2.gz AZTRSNWAFLUEMZ-CYBMUJFWSA-N 1 0 349.391 -1.175 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1)C1CC1 ZINC001043461064 673609535 /nfs/dbraw/zinc/60/95/35/673609535.db2.gz AZTRSNWAFLUEMZ-ZDUSSCGKSA-N 1 0 349.391 -1.175 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461091 673609396 /nfs/dbraw/zinc/60/93/96/673609396.db2.gz BOEMLURQNXWCAE-CYBMUJFWSA-N 1 0 326.397 -1.848 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461093 673609482 /nfs/dbraw/zinc/60/94/82/673609482.db2.gz BOEMLURQNXWCAE-ZDUSSCGKSA-N 1 0 326.397 -1.848 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1)C1CC1 ZINC001043461109 673609434 /nfs/dbraw/zinc/60/94/34/673609434.db2.gz BSRBDOAMIUNMMR-AWEZNQCLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1)C1CC1 ZINC001043461111 673609387 /nfs/dbraw/zinc/60/93/87/673609387.db2.gz BSRBDOAMIUNMMR-CQSZACIVSA-N 1 0 335.408 -1.018 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461120 673609506 /nfs/dbraw/zinc/60/95/06/673609506.db2.gz CANLDGKORMCSSG-AWEZNQCLSA-N 1 0 340.424 -1.506 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461122 673609350 /nfs/dbraw/zinc/60/93/50/673609350.db2.gz CANLDGKORMCSSG-CQSZACIVSA-N 1 0 340.424 -1.506 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043461187 673609568 /nfs/dbraw/zinc/60/95/68/673609568.db2.gz COVSKBNTKDXOKY-GFCCVEGCSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043461190 673609517 /nfs/dbraw/zinc/60/95/17/673609517.db2.gz COVSKBNTKDXOKY-LBPRGKRZSA-N 1 0 336.396 -1.542 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461229 673609407 /nfs/dbraw/zinc/60/94/07/673609407.db2.gz AFXZTENVXVHWLA-GWCFXTLKSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461231 673609447 /nfs/dbraw/zinc/60/94/47/673609447.db2.gz AFXZTENVXVHWLA-GXFFZTMASA-N 1 0 340.424 -1.459 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461234 673609511 /nfs/dbraw/zinc/60/95/11/673609511.db2.gz AFXZTENVXVHWLA-MFKMUULPSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461236 673609381 /nfs/dbraw/zinc/60/93/81/673609381.db2.gz AFXZTENVXVHWLA-ZWNOBZJWSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001043461316 673609441 /nfs/dbraw/zinc/60/94/41/673609441.db2.gz NIZKYDJPEIWIKX-LLVKDONJSA-N 1 0 342.440 -1.226 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001043461318 673609336 /nfs/dbraw/zinc/60/93/36/673609336.db2.gz NIZKYDJPEIWIKX-NSHDSACASA-N 1 0 342.440 -1.226 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1)C1CC1 ZINC001043461335 673609558 /nfs/dbraw/zinc/60/95/58/673609558.db2.gz BLLUGCYVAJBQJT-GFCCVEGCSA-N 1 0 337.384 -2.297 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1)C1CC1 ZINC001043461337 673609425 /nfs/dbraw/zinc/60/94/25/673609425.db2.gz BLLUGCYVAJBQJT-LBPRGKRZSA-N 1 0 337.384 -2.297 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461353 673609402 /nfs/dbraw/zinc/60/94/02/673609402.db2.gz BQWYXKRNRQZXOL-AWEZNQCLSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461356 673609430 /nfs/dbraw/zinc/60/94/30/673609430.db2.gz BQWYXKRNRQZXOL-CQSZACIVSA-N 1 0 340.424 -1.506 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)C1CC1 ZINC001043461405 673609911 /nfs/dbraw/zinc/60/99/11/673609911.db2.gz CIMSXCCZSUZBPE-CHWSQXEVSA-N 1 0 341.408 -1.569 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)C1CC1 ZINC001043461408 673609752 /nfs/dbraw/zinc/60/97/52/673609752.db2.gz CIMSXCCZSUZBPE-OLZOCXBDSA-N 1 0 341.408 -1.569 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)C1CC1 ZINC001043461410 673609734 /nfs/dbraw/zinc/60/97/34/673609734.db2.gz CIMSXCCZSUZBPE-QWHCGFSZSA-N 1 0 341.408 -1.569 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043461411 673609931 /nfs/dbraw/zinc/60/99/31/673609931.db2.gz OXECZEFODNPRFF-UHFFFAOYSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)C1CC1 ZINC001043461412 673609948 /nfs/dbraw/zinc/60/99/48/673609948.db2.gz CIMSXCCZSUZBPE-STQMWFEESA-N 1 0 341.408 -1.569 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001043461585 673609837 /nfs/dbraw/zinc/60/98/37/673609837.db2.gz DRBVYFOGYYRDAC-GFCCVEGCSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001043461587 673609761 /nfs/dbraw/zinc/60/97/61/673609761.db2.gz DRBVYFOGYYRDAC-LBPRGKRZSA-N 1 0 336.396 -1.542 20 0 EAADRO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001043461645 673609739 /nfs/dbraw/zinc/60/97/39/673609739.db2.gz COZZRBRDHTXIRJ-GFCCVEGCSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001043461648 673609828 /nfs/dbraw/zinc/60/98/28/673609828.db2.gz COZZRBRDHTXIRJ-LBPRGKRZSA-N 1 0 338.408 -1.432 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1)C1CC1 ZINC001043461657 673609904 /nfs/dbraw/zinc/60/99/04/673609904.db2.gz FIZWLZRDKJJRFA-AWEZNQCLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1)C1CC1 ZINC001043461660 673609746 /nfs/dbraw/zinc/60/97/46/673609746.db2.gz FIZWLZRDKJJRFA-CQSZACIVSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001043461822 673609782 /nfs/dbraw/zinc/60/97/82/673609782.db2.gz FOLAYPDVLBECGD-LLVKDONJSA-N 1 0 327.385 -2.316 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001043461825 673609868 /nfs/dbraw/zinc/60/98/68/673609868.db2.gz FOLAYPDVLBECGD-NSHDSACASA-N 1 0 327.385 -2.316 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461852 673609850 /nfs/dbraw/zinc/60/98/50/673609850.db2.gz FUSXOFWLTXTCSO-GFCCVEGCSA-N 1 0 342.396 -1.628 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461854 673609774 /nfs/dbraw/zinc/60/97/74/673609774.db2.gz FUSXOFWLTXTCSO-LBPRGKRZSA-N 1 0 342.396 -1.628 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1)C1CC1 ZINC001043461895 673609856 /nfs/dbraw/zinc/60/98/56/673609856.db2.gz GGGIRBFWJCYQSZ-CYBMUJFWSA-N 1 0 349.391 -1.175 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1)C1CC1 ZINC001043461897 673609918 /nfs/dbraw/zinc/60/99/18/673609918.db2.gz GGGIRBFWJCYQSZ-ZDUSSCGKSA-N 1 0 349.391 -1.175 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461899 673609894 /nfs/dbraw/zinc/60/98/94/673609894.db2.gz GGYZPXGSZHPTNU-CYBMUJFWSA-N 1 0 326.397 -1.848 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461901 673609913 /nfs/dbraw/zinc/60/99/13/673609913.db2.gz GGYZPXGSZHPTNU-ZDUSSCGKSA-N 1 0 326.397 -1.848 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043461936 673609861 /nfs/dbraw/zinc/60/98/61/673609861.db2.gz QRDCTQJDCOIKKD-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043461948 673609888 /nfs/dbraw/zinc/60/98/88/673609888.db2.gz RBSSNOPQWXBFFR-UHFFFAOYSA-N 1 0 328.413 -1.471 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043462124 673609815 /nfs/dbraw/zinc/60/98/15/673609815.db2.gz GDTSWWJVCHGSEI-JTQLQIEISA-N 1 0 337.384 -2.147 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043462127 673609787 /nfs/dbraw/zinc/60/97/87/673609787.db2.gz GDTSWWJVCHGSEI-SNVBAGLBSA-N 1 0 337.384 -2.147 20 0 EAADRO Cn1ccc(CC(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043462189 673609825 /nfs/dbraw/zinc/60/98/25/673609825.db2.gz GWCRNSNGKDNVIK-HNNXBMFYSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043462191 673609880 /nfs/dbraw/zinc/60/98/80/673609880.db2.gz GWCRNSNGKDNVIK-OAHLLOKOSA-N 1 0 349.435 -1.008 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043462204 673609872 /nfs/dbraw/zinc/60/98/72/673609872.db2.gz HIVWEOIVFZTELC-AWEZNQCLSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043462206 673609831 /nfs/dbraw/zinc/60/98/31/673609831.db2.gz HIVWEOIVFZTELC-CQSZACIVSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043462264 673609731 /nfs/dbraw/zinc/60/97/31/673609731.db2.gz IBDJJAURIGPIEJ-GFCCVEGCSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043462267 673609766 /nfs/dbraw/zinc/60/97/66/673609766.db2.gz IBDJJAURIGPIEJ-LBPRGKRZSA-N 1 0 340.424 -1.186 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1)C1CC1 ZINC001043462269 673609820 /nfs/dbraw/zinc/60/98/20/673609820.db2.gz HOFFEQLBXMCSBT-CYBMUJFWSA-N 1 0 349.391 -1.587 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1)C1CC1 ZINC001043462270 673609743 /nfs/dbraw/zinc/60/97/43/673609743.db2.gz IDTLCZFWNRTQND-AWEZNQCLSA-N 1 0 348.403 -1.037 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1)C1CC1 ZINC001043462273 673609898 /nfs/dbraw/zinc/60/98/98/673609898.db2.gz HOFFEQLBXMCSBT-ZDUSSCGKSA-N 1 0 349.391 -1.587 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1)C1CC1 ZINC001043462274 673609804 /nfs/dbraw/zinc/60/98/04/673609804.db2.gz IDTLCZFWNRTQND-CQSZACIVSA-N 1 0 348.403 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043462444 673609846 /nfs/dbraw/zinc/60/98/46/673609846.db2.gz XQLHUQXZQQUXOP-UHFFFAOYSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001043462638 673610204 /nfs/dbraw/zinc/61/02/04/673610204.db2.gz IPXPLWWQXLKTAK-NEPJUHHUSA-N 1 0 338.408 -1.848 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)C1CC1 ZINC001043462641 673610101 /nfs/dbraw/zinc/61/01/01/673610101.db2.gz IPXPLWWQXLKTAK-NWDGAFQWSA-N 1 0 338.408 -1.848 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)C1CC1 ZINC001043462642 673610135 /nfs/dbraw/zinc/61/01/35/673610135.db2.gz IPXPLWWQXLKTAK-RYUDHWBXSA-N 1 0 338.408 -1.848 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001043462646 673610357 /nfs/dbraw/zinc/61/03/57/673610357.db2.gz IPXPLWWQXLKTAK-VXGBXAGGSA-N 1 0 338.408 -1.848 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1)C1CC1 ZINC001043462705 673610120 /nfs/dbraw/zinc/61/01/20/673610120.db2.gz JWGACWWONYMONK-GFCCVEGCSA-N 1 0 348.407 -1.298 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1)C1CC1 ZINC001043462708 673610213 /nfs/dbraw/zinc/61/02/13/673610213.db2.gz JWGACWWONYMONK-LBPRGKRZSA-N 1 0 348.407 -1.298 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)C1CC1 ZINC001043462727 673610131 /nfs/dbraw/zinc/61/01/31/673610131.db2.gz JNSLZNFVAZSNRP-DGAVXFQQSA-N 1 0 337.420 -1.092 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)C1CC1 ZINC001043462730 673610351 /nfs/dbraw/zinc/61/03/51/673610351.db2.gz JNSLZNFVAZSNRP-ZOBORPQBSA-N 1 0 337.420 -1.092 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1)C1CC1 ZINC001043462783 673610097 /nfs/dbraw/zinc/61/00/97/673610097.db2.gz KDABKAFBBHKYCR-GFCCVEGCSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1)C1CC1 ZINC001043462786 673610112 /nfs/dbraw/zinc/61/01/12/673610112.db2.gz KDABKAFBBHKYCR-LBPRGKRZSA-N 1 0 341.412 -1.926 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043462787 673610306 /nfs/dbraw/zinc/61/03/06/673610306.db2.gz KFZXYPDOHALNME-CHWSQXEVSA-N 1 0 343.424 -1.323 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043462789 673610156 /nfs/dbraw/zinc/61/01/56/673610156.db2.gz KFZXYPDOHALNME-OLZOCXBDSA-N 1 0 343.424 -1.323 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043462791 673610106 /nfs/dbraw/zinc/61/01/06/673610106.db2.gz KFZXYPDOHALNME-QWHCGFSZSA-N 1 0 343.424 -1.323 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043462793 673610326 /nfs/dbraw/zinc/61/03/26/673610326.db2.gz KFZXYPDOHALNME-STQMWFEESA-N 1 0 343.424 -1.323 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1)C1CC1 ZINC001043462806 673610263 /nfs/dbraw/zinc/61/02/63/673610263.db2.gz KLCYRWLSXKKXLR-LLVKDONJSA-N 1 0 338.408 -1.718 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1)C1CC1 ZINC001043462808 673610145 /nfs/dbraw/zinc/61/01/45/673610145.db2.gz KLCYRWLSXKKXLR-NSHDSACASA-N 1 0 338.408 -1.718 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1)C1CC1 ZINC001043462821 673610282 /nfs/dbraw/zinc/61/02/82/673610282.db2.gz KRECKOMOPOPAKH-CYBMUJFWSA-N 1 0 336.396 -1.623 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1)C1CC1 ZINC001043462822 673610231 /nfs/dbraw/zinc/61/02/31/673610231.db2.gz KRECKOMOPOPAKH-ZDUSSCGKSA-N 1 0 336.396 -1.623 20 0 EAADRO Cn1cc(CC(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001043463029 673610163 /nfs/dbraw/zinc/61/01/63/673610163.db2.gz MPVSPFPVTTWZJK-HNNXBMFYSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001043463030 673610345 /nfs/dbraw/zinc/61/03/45/673610345.db2.gz MPVSPFPVTTWZJK-OAHLLOKOSA-N 1 0 349.435 -1.008 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001043463444 673610127 /nfs/dbraw/zinc/61/01/27/673610127.db2.gz OLCWFFCNVLSDJK-DGCLKSJQSA-N 1 0 338.408 -1.705 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001043463446 673610310 /nfs/dbraw/zinc/61/03/10/673610310.db2.gz OLCWFFCNVLSDJK-YPMHNXCESA-N 1 0 338.408 -1.705 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043463455 673610116 /nfs/dbraw/zinc/61/01/16/673610116.db2.gz OXKKQVKCLVTLAR-AWEZNQCLSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043463456 673610373 /nfs/dbraw/zinc/61/03/73/673610373.db2.gz OXKKQVKCLVTLAR-CQSZACIVSA-N 1 0 343.424 -1.321 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1)C1CC1 ZINC001043463515 673610362 /nfs/dbraw/zinc/61/03/62/673610362.db2.gz PYYWSPOBJZCDEJ-AWEZNQCLSA-N 1 0 335.408 -1.087 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1)C1CC1 ZINC001043463516 673610176 /nfs/dbraw/zinc/61/01/76/673610176.db2.gz PYYWSPOBJZCDEJ-CQSZACIVSA-N 1 0 335.408 -1.087 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001043463552 673610239 /nfs/dbraw/zinc/61/02/39/673610239.db2.gz OCHMOVMFVILMPX-GRYCIOLGSA-N 1 0 338.408 -1.863 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001043463554 673610138 /nfs/dbraw/zinc/61/01/38/673610138.db2.gz OCHMOVMFVILMPX-WOPDTQHZSA-N 1 0 338.408 -1.863 20 0 EAADRO Cn1nccc1CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043463557 673610220 /nfs/dbraw/zinc/61/02/20/673610220.db2.gz OEFYZWLVLMQCDK-HNNXBMFYSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1nccc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043463559 673610124 /nfs/dbraw/zinc/61/01/24/673610124.db2.gz OEFYZWLVLMQCDK-OAHLLOKOSA-N 1 0 349.435 -1.008 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001043463601 673610094 /nfs/dbraw/zinc/61/00/94/673610094.db2.gz OLCWFFCNVLSDJK-AAEUAGOBSA-N 1 0 338.408 -1.705 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001043463604 673610377 /nfs/dbraw/zinc/61/03/77/673610377.db2.gz OLCWFFCNVLSDJK-WCQYABFASA-N 1 0 338.408 -1.705 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043463636 673610295 /nfs/dbraw/zinc/61/02/95/673610295.db2.gz OPHOOELKMBKYPY-AWEZNQCLSA-N 1 0 340.424 -1.458 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043463638 673610142 /nfs/dbraw/zinc/61/01/42/673610142.db2.gz OPHOOELKMBKYPY-CQSZACIVSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1)C1CC1 ZINC001043463688 673610149 /nfs/dbraw/zinc/61/01/49/673610149.db2.gz PSQAAXXZPXYOAK-GFCCVEGCSA-N 1 0 337.384 -2.297 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1)C1CC1 ZINC001043463690 673610109 /nfs/dbraw/zinc/61/01/09/673610109.db2.gz PSQAAXXZPXYOAK-LBPRGKRZSA-N 1 0 337.384 -2.297 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1)C1CC1 ZINC001043463702 673610300 /nfs/dbraw/zinc/61/03/00/673610300.db2.gz PYPYJWIKSXNCAO-CYBMUJFWSA-N 1 0 336.396 -1.692 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1)C1CC1 ZINC001043463704 673610256 /nfs/dbraw/zinc/61/02/56/673610256.db2.gz PYPYJWIKSXNCAO-ZDUSSCGKSA-N 1 0 336.396 -1.692 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1)C1CC1 ZINC001043463722 673610122 /nfs/dbraw/zinc/61/01/22/673610122.db2.gz QCJGQBOYJBOIMI-AWEZNQCLSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1)C1CC1 ZINC001043463723 673610153 /nfs/dbraw/zinc/61/01/53/673610153.db2.gz QCJGQBOYJBOIMI-CQSZACIVSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043463995 669000134 /nfs/dbraw/zinc/00/01/34/669000134.db2.gz SSVQIMREZLSCTG-LLVKDONJSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043463996 668999901 /nfs/dbraw/zinc/99/99/01/668999901.db2.gz SSVQIMREZLSCTG-NSHDSACASA-N 1 0 326.397 -1.576 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1)C1CC1 ZINC001043464639 673610475 /nfs/dbraw/zinc/61/04/75/673610475.db2.gz XYQPPHJMBDLDKR-AWEZNQCLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1)C1CC1 ZINC001043464642 673610456 /nfs/dbraw/zinc/61/04/56/673610456.db2.gz XYQPPHJMBDLDKR-CQSZACIVSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1)C1CC1 ZINC001043464753 673610587 /nfs/dbraw/zinc/61/05/87/673610587.db2.gz YQQYSULCRZOGIW-GFCCVEGCSA-N 1 0 347.437 -1.939 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1)C1CC1 ZINC001043464755 673610647 /nfs/dbraw/zinc/61/06/47/673610647.db2.gz YQQYSULCRZOGIW-LBPRGKRZSA-N 1 0 347.437 -1.939 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1)C1CC1 ZINC001043464834 673610679 /nfs/dbraw/zinc/61/06/79/673610679.db2.gz ZSFUUFUWRXKTMJ-CYBMUJFWSA-N 1 0 339.392 -1.096 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1)C1CC1 ZINC001043464836 673610497 /nfs/dbraw/zinc/61/04/97/673610497.db2.gz ZSFUUFUWRXKTMJ-ZDUSSCGKSA-N 1 0 339.392 -1.096 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1)C1CC1 ZINC001043464922 673610521 /nfs/dbraw/zinc/61/05/21/673610521.db2.gz QOXIPKDJLPMXSF-CYBMUJFWSA-N 1 0 336.396 -1.692 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1)C1CC1 ZINC001043464923 673610592 /nfs/dbraw/zinc/61/05/92/673610592.db2.gz QOXIPKDJLPMXSF-ZDUSSCGKSA-N 1 0 336.396 -1.692 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043465127 673610463 /nfs/dbraw/zinc/61/04/63/673610463.db2.gz SPBSGWISWJTSJS-GWCFXTLKSA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043465132 673610511 /nfs/dbraw/zinc/61/05/11/673610511.db2.gz SPBSGWISWJTSJS-GXFFZTMASA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043465135 673610674 /nfs/dbraw/zinc/61/06/74/673610674.db2.gz SPBSGWISWJTSJS-MFKMUULPSA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043465137 673610662 /nfs/dbraw/zinc/61/06/62/673610662.db2.gz SPBSGWISWJTSJS-ZWNOBZJWSA-N 1 0 340.424 -1.472 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1)C1CC1 ZINC001043465146 673610688 /nfs/dbraw/zinc/61/06/88/673610688.db2.gz SSVVLNYHRJUIHZ-GFCCVEGCSA-N 1 0 349.391 -1.175 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1)C1CC1 ZINC001043465150 673610448 /nfs/dbraw/zinc/61/04/48/673610448.db2.gz SSVVLNYHRJUIHZ-LBPRGKRZSA-N 1 0 349.391 -1.175 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043465201 673610629 /nfs/dbraw/zinc/61/06/29/673610629.db2.gz UCUMOIORQCGTIV-LLVKDONJSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001043465202 673610615 /nfs/dbraw/zinc/61/06/15/673610615.db2.gz UCUMOIORQCGTIV-NSHDSACASA-N 1 0 336.396 -1.542 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043465212 673610697 /nfs/dbraw/zinc/61/06/97/673610697.db2.gz UGYZXRGRWIWMTF-GFCCVEGCSA-N 1 0 341.412 -2.055 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043465520 673610485 /nfs/dbraw/zinc/61/04/85/673610485.db2.gz UGYZXRGRWIWMTF-LBPRGKRZSA-N 1 0 341.412 -2.055 20 0 EAADRO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043465525 673610480 /nfs/dbraw/zinc/61/04/80/673610480.db2.gz UKEHTTJEFVKMHJ-GFCCVEGCSA-N 1 0 336.396 -1.542 20 0 EAADRO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043465527 673610473 /nfs/dbraw/zinc/61/04/73/673610473.db2.gz UKEHTTJEFVKMHJ-LBPRGKRZSA-N 1 0 336.396 -1.542 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043465660 673610531 /nfs/dbraw/zinc/61/05/31/673610531.db2.gz WASZAHZLSGTFGJ-GXSJLCMTSA-N 1 0 341.412 -1.927 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043465663 673610526 /nfs/dbraw/zinc/61/05/26/673610526.db2.gz WASZAHZLSGTFGJ-ONGXEEELSA-N 1 0 341.412 -1.927 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1)C1CC1 ZINC001043465714 673610549 /nfs/dbraw/zinc/61/05/49/673610549.db2.gz WSLGIDFAZUBSQP-LLVKDONJSA-N 1 0 340.424 -1.472 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1)C1CC1 ZINC001043465718 673610558 /nfs/dbraw/zinc/61/05/58/673610558.db2.gz WSLGIDFAZUBSQP-NSHDSACASA-N 1 0 340.424 -1.472 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001043466175 673610691 /nfs/dbraw/zinc/61/06/91/673610691.db2.gz YEZMZFJEHBCDGM-GHMZBOCLSA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001043466181 673610654 /nfs/dbraw/zinc/61/06/54/673610654.db2.gz YEZMZFJEHBCDGM-MNOVXSKESA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001043466186 673610610 /nfs/dbraw/zinc/61/06/10/673610610.db2.gz YEZMZFJEHBCDGM-QWRGUYRKSA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001043466190 673610568 /nfs/dbraw/zinc/61/05/68/673610568.db2.gz YEZMZFJEHBCDGM-WDEREUQCSA-N 1 0 339.396 -2.303 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043466333 673610502 /nfs/dbraw/zinc/61/05/02/673610502.db2.gz YZENYUYBWYXVBT-GFCCVEGCSA-N 1 0 336.396 -1.244 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043466335 673610579 /nfs/dbraw/zinc/61/05/79/673610579.db2.gz YZENYUYBWYXVBT-LBPRGKRZSA-N 1 0 336.396 -1.244 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001043466422 673610537 /nfs/dbraw/zinc/61/05/37/673610537.db2.gz ZSOGFIBSDORNDF-GHMZBOCLSA-N 1 0 340.380 -1.876 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001043466432 673610667 /nfs/dbraw/zinc/61/06/67/673610667.db2.gz ZSOGFIBSDORNDF-MNOVXSKESA-N 1 0 340.380 -1.876 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001043466438 673610702 /nfs/dbraw/zinc/61/07/02/673610702.db2.gz ZSOGFIBSDORNDF-QWRGUYRKSA-N 1 0 340.380 -1.876 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001043466450 673610469 /nfs/dbraw/zinc/61/04/69/673610469.db2.gz ZSOGFIBSDORNDF-WDEREUQCSA-N 1 0 340.380 -1.876 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043466481 673610622 /nfs/dbraw/zinc/61/06/22/673610622.db2.gz ASXNKDZZZXJNLR-UHFFFAOYSA-N 1 0 338.408 -1.717 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC001043466899 673610671 /nfs/dbraw/zinc/61/06/71/673610671.db2.gz CUHKUBQKQJBMQU-UHFFFAOYSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043467022 673610983 /nfs/dbraw/zinc/61/09/83/673610983.db2.gz GZNYLASOHCPXOS-LLVKDONJSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043467023 673610826 /nfs/dbraw/zinc/61/08/26/673610826.db2.gz GZNYLASOHCPXOS-NSHDSACASA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043467235 673610928 /nfs/dbraw/zinc/61/09/28/673610928.db2.gz JYOQGTQRKRGZTA-JTQLQIEISA-N 1 0 326.397 -1.718 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043467236 673610912 /nfs/dbraw/zinc/61/09/12/673610912.db2.gz JYOQGTQRKRGZTA-SNVBAGLBSA-N 1 0 326.397 -1.718 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001043467275 673610953 /nfs/dbraw/zinc/61/09/53/673610953.db2.gz KQMFYEHUDUDPMP-JTQLQIEISA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001043467276 673610888 /nfs/dbraw/zinc/61/08/88/673610888.db2.gz KQMFYEHUDUDPMP-SNVBAGLBSA-N 1 0 328.413 -1.472 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)CCC1 ZINC001043467365 673611202 /nfs/dbraw/zinc/61/12/02/673611202.db2.gz LXMKTQAAICQESC-UHFFFAOYSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043467369 673611178 /nfs/dbraw/zinc/61/11/78/673611178.db2.gz LXYKPUIJSBCXKV-UHFFFAOYSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043467467 673611272 /nfs/dbraw/zinc/61/12/72/673611272.db2.gz ONEQTJUPNLXEKR-UHFFFAOYSA-N 1 0 344.412 -2.234 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043467597 673611199 /nfs/dbraw/zinc/61/11/99/673611199.db2.gz QCABYNAGNJLSMP-LLVKDONJSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043467599 673611181 /nfs/dbraw/zinc/61/11/81/673611181.db2.gz QCABYNAGNJLSMP-NSHDSACASA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043468152 673611521 /nfs/dbraw/zinc/61/15/21/673611521.db2.gz ANJWWBYDNVWRKK-GHMZBOCLSA-N 1 0 340.424 -1.615 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043468154 673611456 /nfs/dbraw/zinc/61/14/56/673611456.db2.gz ANJWWBYDNVWRKK-MNOVXSKESA-N 1 0 340.424 -1.615 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043468157 673611453 /nfs/dbraw/zinc/61/14/53/673611453.db2.gz ANJWWBYDNVWRKK-QWRGUYRKSA-N 1 0 340.424 -1.615 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043468160 673611468 /nfs/dbraw/zinc/61/14/68/673611468.db2.gz ANJWWBYDNVWRKK-WDEREUQCSA-N 1 0 340.424 -1.615 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043468211 673611450 /nfs/dbraw/zinc/61/14/50/673611450.db2.gz BRASXYFOZORYQA-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043468586 673611766 /nfs/dbraw/zinc/61/17/66/673611766.db2.gz FNFIEKNPYQERPF-AAEUAGOBSA-N 1 0 342.440 -1.213 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043468587 673611768 /nfs/dbraw/zinc/61/17/68/673611768.db2.gz FNFIEKNPYQERPF-YPMHNXCESA-N 1 0 342.440 -1.213 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001043468599 673611794 /nfs/dbraw/zinc/61/17/94/673611794.db2.gz FQUGQWMALWZPLG-NSHDSACASA-N 1 0 342.440 -1.226 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1)C1CC1 ZINC001043468628 673611764 /nfs/dbraw/zinc/61/17/64/673611764.db2.gz GBFPHENHWBKUGW-LLVKDONJSA-N 1 0 340.424 -1.472 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1)C1CC1 ZINC001043468630 673611818 /nfs/dbraw/zinc/61/18/18/673611818.db2.gz GBFPHENHWBKUGW-NSHDSACASA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043468669 673611774 /nfs/dbraw/zinc/61/17/74/673611774.db2.gz HZQKBABAQCJPCP-LLVKDONJSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043468670 673611849 /nfs/dbraw/zinc/61/18/49/673611849.db2.gz HZQKBABAQCJPCP-NSHDSACASA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001043468695 673611814 /nfs/dbraw/zinc/61/18/14/673611814.db2.gz IXXKCDWTIYLCIH-LBPRGKRZSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)[NH+](C)C ZINC001043468697 673611759 /nfs/dbraw/zinc/61/17/59/673611759.db2.gz IZAFUHLZZRTKSI-WOPDTQHZSA-N 1 0 340.424 -1.617 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043468814 673611844 /nfs/dbraw/zinc/61/18/44/673611844.db2.gz JZEVTDDYRUJMBS-JTQLQIEISA-N 1 0 326.397 -1.861 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001043468818 673611751 /nfs/dbraw/zinc/61/17/51/673611751.db2.gz JZEVTDDYRUJMBS-SNVBAGLBSA-N 1 0 326.397 -1.861 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1)[NH+](C)C ZINC001043469046 673611780 /nfs/dbraw/zinc/61/17/80/673611780.db2.gz LIZQDOIIARSBGR-ZDUSSCGKSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001043469061 673611782 /nfs/dbraw/zinc/61/17/82/673611782.db2.gz LTOHGHJTXGLPGC-NSHDSACASA-N 1 0 329.401 -2.070 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043469062 673611802 /nfs/dbraw/zinc/61/18/02/673611802.db2.gz LUDQLQIJELQPSF-ZDUSSCGKSA-N 1 0 328.413 -1.602 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)CC[N@@H+]1C ZINC001043469463 673612090 /nfs/dbraw/zinc/61/20/90/673612090.db2.gz OAMIZQKLOLGYHY-GHMZBOCLSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001043469609 673612156 /nfs/dbraw/zinc/61/21/56/673612156.db2.gz QDYQLDKPVPDVFV-LBPRGKRZSA-N 1 0 343.428 -1.680 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001043469863 673612221 /nfs/dbraw/zinc/61/22/21/673612221.db2.gz ACYPIHIUWXPBJQ-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001043469865 673612177 /nfs/dbraw/zinc/61/21/77/673612177.db2.gz ACYPIHIUWXPBJQ-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001043469907 673612121 /nfs/dbraw/zinc/61/21/21/673612121.db2.gz ANCISZHASJDSMR-MNOVXSKESA-N 1 0 342.396 -1.630 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001043469910 673612164 /nfs/dbraw/zinc/61/21/64/673612164.db2.gz ANCISZHASJDSMR-QWRGUYRKSA-N 1 0 342.396 -1.630 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043469933 673612100 /nfs/dbraw/zinc/61/21/00/673612100.db2.gz AXDKZRIXKBYQCF-AWEZNQCLSA-N 1 0 342.440 -1.260 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043469936 673612127 /nfs/dbraw/zinc/61/21/27/673612127.db2.gz AXVKXEDRBDEHOG-AWEZNQCLSA-N 1 0 345.440 -1.075 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001043469968 673612213 /nfs/dbraw/zinc/61/22/13/673612213.db2.gz BKBPKKZUAQJNTB-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001043469970 673612133 /nfs/dbraw/zinc/61/21/33/673612133.db2.gz BKBPKKZUAQJNTB-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001043470012 673612131 /nfs/dbraw/zinc/61/21/31/673612131.db2.gz CAYFPIQTCDNYPC-LBPRGKRZSA-N 1 0 349.453 -1.693 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043470193 673612191 /nfs/dbraw/zinc/61/21/91/673612191.db2.gz QTXACLAKITTYFS-LLVKDONJSA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043470198 673612142 /nfs/dbraw/zinc/61/21/42/673612142.db2.gz QTXACLAKITTYFS-NSHDSACASA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043470353 673612394 /nfs/dbraw/zinc/61/23/94/673612394.db2.gz TXUUMMRSICPKDG-UHFFFAOYSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001043470393 673612405 /nfs/dbraw/zinc/61/24/05/673612405.db2.gz UXOLDWFDTDJTOV-UHFFFAOYSA-N 1 0 342.440 -1.082 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043470767 673612408 /nfs/dbraw/zinc/61/24/08/673612408.db2.gz XSQYNZNVTNHVDM-LBPRGKRZSA-N 1 0 343.428 -1.809 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1)[NH+](C)C ZINC001043470826 673612443 /nfs/dbraw/zinc/61/24/43/673612443.db2.gz ZFHSWTSGWXDVGQ-AWEZNQCLSA-N 1 0 342.440 -1.260 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1)C1CCC1 ZINC001043470848 673612434 /nfs/dbraw/zinc/61/24/34/673612434.db2.gz ZTOPHHFSQHRGJV-UHFFFAOYSA-N 1 0 340.424 -1.328 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043470869 673612487 /nfs/dbraw/zinc/61/24/87/673612487.db2.gz CSTDJPSVDAQEMJ-LBPRGKRZSA-N 1 0 344.412 -1.382 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043470941 673612483 /nfs/dbraw/zinc/61/24/83/673612483.db2.gz DMXVXUCTSXBCEU-AWEZNQCLSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001043471051 673612512 /nfs/dbraw/zinc/61/25/12/673612512.db2.gz FLJRMTPAAWSCNP-LBPRGKRZSA-N 1 0 338.412 -1.296 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001043471076 673612718 /nfs/dbraw/zinc/61/27/18/673612718.db2.gz FTTAIDJBUHTAOU-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001043471077 673612759 /nfs/dbraw/zinc/61/27/59/673612759.db2.gz FTTAIDJBUHTAOU-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001043471094 673612721 /nfs/dbraw/zinc/61/27/21/673612721.db2.gz FZJSEXRTYIGXMJ-NSHDSACASA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001043471110 673612710 /nfs/dbraw/zinc/61/27/10/673612710.db2.gz GGIVNUUXKFAUPO-JTQLQIEISA-N 1 0 339.400 -1.901 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043471335 673612733 /nfs/dbraw/zinc/61/27/33/673612733.db2.gz IAUZJPAMBQGEFM-ZDUSSCGKSA-N 1 0 328.413 -1.602 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001043471370 673612757 /nfs/dbraw/zinc/61/27/57/673612757.db2.gz IRSWWQJDYALLFM-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001043471372 673612738 /nfs/dbraw/zinc/61/27/38/673612738.db2.gz IRSWWQJDYALLFM-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001043471393 673612783 /nfs/dbraw/zinc/61/27/83/673612783.db2.gz JCDMAEIMSQBPMH-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001043471395 673612700 /nfs/dbraw/zinc/61/27/00/673612700.db2.gz JCDMAEIMSQBPMH-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)[NH+](C)C ZINC001043471403 673612762 /nfs/dbraw/zinc/61/27/62/673612762.db2.gz JFBFOODUPYIIPR-OLZOCXBDSA-N 1 0 343.424 -1.323 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001043471406 673612752 /nfs/dbraw/zinc/61/27/52/673612752.db2.gz JFBFOODUPYIIPR-STQMWFEESA-N 1 0 343.424 -1.323 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043471962 673613130 /nfs/dbraw/zinc/61/31/30/673613130.db2.gz NCGPANCAVSFYRT-YPMHNXCESA-N 1 0 340.424 -1.459 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043472732 673613109 /nfs/dbraw/zinc/61/31/09/673613109.db2.gz QDEUWRHSJWHZNV-AWEZNQCLSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001043473159 673613371 /nfs/dbraw/zinc/61/33/71/673613371.db2.gz RSISELHDTFBEGQ-NEPJUHHUSA-N 1 0 340.424 -1.602 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001043473160 673613421 /nfs/dbraw/zinc/61/34/21/673613421.db2.gz RSISELHDTFBEGQ-RYUDHWBXSA-N 1 0 340.424 -1.602 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001043473177 673613487 /nfs/dbraw/zinc/61/34/87/673613487.db2.gz SAOJGGHADQIBRR-LBPRGKRZSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1)[NH+](C)C ZINC001043473222 673613456 /nfs/dbraw/zinc/61/34/56/673613456.db2.gz TWDRRVLEMRQJOB-AWEZNQCLSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1)[NH+](C)C ZINC001043473255 673613443 /nfs/dbraw/zinc/61/34/43/673613443.db2.gz UHEMNWPHYALIRN-LBPRGKRZSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1)[NH+](C)C ZINC001043473408 673613479 /nfs/dbraw/zinc/61/34/79/673613479.db2.gz UTDVFMNQZJXXFY-AAEUAGOBSA-N 1 0 342.440 -1.226 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1)[NH+](C)C ZINC001043473410 673613484 /nfs/dbraw/zinc/61/34/84/673613484.db2.gz UTDVFMNQZJXXFY-YPMHNXCESA-N 1 0 342.440 -1.226 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001043473475 673613389 /nfs/dbraw/zinc/61/33/89/673613389.db2.gz VPBFXSHKDOVBKH-QWRGUYRKSA-N 1 0 343.428 -1.681 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001043475476 673613921 /nfs/dbraw/zinc/61/39/21/673613921.db2.gz BMOXDHGSUBABLO-LBPRGKRZSA-N 1 0 339.400 -2.051 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001043476171 673614014 /nfs/dbraw/zinc/61/40/14/673614014.db2.gz FHACNNIBTQLBDX-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001043476174 673614097 /nfs/dbraw/zinc/61/40/97/673614097.db2.gz FHACNNIBTQLBDX-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001043476281 673614349 /nfs/dbraw/zinc/61/43/49/673614349.db2.gz GYCJELPIRNBFIH-ZDUSSCGKSA-N 1 0 338.412 -1.377 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001043476784 673614473 /nfs/dbraw/zinc/61/44/73/673614473.db2.gz HOUHGKSJTSPNKA-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001043476788 673614260 /nfs/dbraw/zinc/61/42/60/673614260.db2.gz HOUHGKSJTSPNKA-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001043476792 673614544 /nfs/dbraw/zinc/61/45/44/673614544.db2.gz HOUHGKSJTSPNKA-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001043476796 673614540 /nfs/dbraw/zinc/61/45/40/673614540.db2.gz HOUHGKSJTSPNKA-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO Cc1ncn(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043476853 673614288 /nfs/dbraw/zinc/61/42/88/673614288.db2.gz YTYGQSVVCVRDBW-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1ncn(C)c1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043476856 673614271 /nfs/dbraw/zinc/61/42/71/673614271.db2.gz YTYGQSVVCVRDBW-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001043476896 673614365 /nfs/dbraw/zinc/61/43/65/673614365.db2.gz IPDUICNUWQZDRY-GFCCVEGCSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001043476900 673614532 /nfs/dbraw/zinc/61/45/32/673614532.db2.gz IPDUICNUWQZDRY-LBPRGKRZSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnon2)C1)[NH+](C)C ZINC001043476949 673614447 /nfs/dbraw/zinc/61/44/47/673614447.db2.gz JAODSVCGKNVWOX-NSHDSACASA-N 1 0 325.369 -1.041 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001043476962 673614488 /nfs/dbraw/zinc/61/44/88/673614488.db2.gz JCDMAEIMSQBPMH-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001043476967 673614339 /nfs/dbraw/zinc/61/43/39/673614339.db2.gz JCDMAEIMSQBPMH-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001043477897 673614631 /nfs/dbraw/zinc/61/46/31/673614631.db2.gz JSIIQFAQUQMVEC-MNOVXSKESA-N 1 0 341.412 -2.057 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001043477899 673614694 /nfs/dbraw/zinc/61/46/94/673614694.db2.gz JSIIQFAQUQMVEC-QWRGUYRKSA-N 1 0 341.412 -2.057 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043478249 673615029 /nfs/dbraw/zinc/61/50/29/673615029.db2.gz NCGPANCAVSFYRT-AAEUAGOBSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001043478259 673615110 /nfs/dbraw/zinc/61/51/10/673615110.db2.gz NGWVNJCUTZHVCL-NSHDSACASA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1)[NH+](C)C ZINC001043478732 673614996 /nfs/dbraw/zinc/61/49/96/673614996.db2.gz PLLIRYRRLPMOCS-ZDUSSCGKSA-N 1 0 338.412 -1.446 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)CCC1 ZINC001043479343 673615396 /nfs/dbraw/zinc/61/53/96/673615396.db2.gz DIFMYMPUNPELCG-UHFFFAOYSA-N 1 0 349.391 -1.030 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001043479440 673615774 /nfs/dbraw/zinc/61/57/74/673615774.db2.gz SSQGDPOHWXXCDP-GFCCVEGCSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001043479441 673615759 /nfs/dbraw/zinc/61/57/59/673615759.db2.gz SSQGDPOHWXXCDP-LBPRGKRZSA-N 1 0 338.408 -1.702 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043479745 673615674 /nfs/dbraw/zinc/61/56/74/673615674.db2.gz HGFUOZYIASHFQC-CMPLNLGQSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043479750 673615659 /nfs/dbraw/zinc/61/56/59/673615659.db2.gz HGFUOZYIASHFQC-JQWIXIFHSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043479753 673615671 /nfs/dbraw/zinc/61/56/71/673615671.db2.gz HGFUOZYIASHFQC-PWSUYJOCSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043479756 673615633 /nfs/dbraw/zinc/61/56/33/673615633.db2.gz HGFUOZYIASHFQC-ZYHUDNBSSA-N 1 0 349.391 -1.317 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001043479810 673615745 /nfs/dbraw/zinc/61/57/45/673615745.db2.gz HXEJZABIUQDCPA-UHFFFAOYSA-N 1 0 349.391 -1.173 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043480130 673616058 /nfs/dbraw/zinc/61/60/58/673616058.db2.gz KJDLRWBFZPPZGB-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043480135 673616097 /nfs/dbraw/zinc/61/60/97/673616097.db2.gz VPPUSPUBPWXUOQ-OLZOCXBDSA-N 1 0 345.440 -1.077 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043480136 673616087 /nfs/dbraw/zinc/61/60/87/673616087.db2.gz KNDXVRJLAARFJR-LLVKDONJSA-N 1 0 349.391 -1.030 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043480137 673615970 /nfs/dbraw/zinc/61/59/70/673615970.db2.gz VPPUSPUBPWXUOQ-STQMWFEESA-N 1 0 345.440 -1.077 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043480138 673616049 /nfs/dbraw/zinc/61/60/49/673616049.db2.gz KNDXVRJLAARFJR-NSHDSACASA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001043480386 673615958 /nfs/dbraw/zinc/61/59/58/673615958.db2.gz 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C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1)C1CC1 ZINC001043481063 673616254 /nfs/dbraw/zinc/61/62/54/673616254.db2.gz XVIQOWAFOBRXNP-CYBMUJFWSA-N 1 0 349.391 -1.175 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1)C1CC1 ZINC001043481064 673616448 /nfs/dbraw/zinc/61/64/48/673616448.db2.gz XVIQOWAFOBRXNP-ZDUSSCGKSA-N 1 0 349.391 -1.175 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1)[NH+](C)C ZINC001043481194 673616287 /nfs/dbraw/zinc/61/62/87/673616287.db2.gz YYJJHDFKVKQSGQ-NSHDSACASA-N 1 0 337.380 -1.175 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1cn[nH]c(=O)c1 ZINC001043481884 673616418 /nfs/dbraw/zinc/61/64/18/673616418.db2.gz CGMXMKXNWGINHA-UHFFFAOYSA-N 1 0 347.375 -1.419 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001043481898 673616432 /nfs/dbraw/zinc/61/64/32/673616432.db2.gz CSVTYQYDJWHZCT-UHFFFAOYSA-N 1 0 349.391 -1.173 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043481924 673616442 /nfs/dbraw/zinc/61/64/42/673616442.db2.gz DFTYWDWPAVHOPB-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043482544 673616650 /nfs/dbraw/zinc/61/66/50/673616650.db2.gz JRIWABOQXVXXIQ-UHFFFAOYSA-N 1 0 349.391 -1.177 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043482573 673616609 /nfs/dbraw/zinc/61/66/09/673616609.db2.gz KSRYKNSRLYGTAF-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043482648 673616637 /nfs/dbraw/zinc/61/66/37/673616637.db2.gz NBGSTDJAWLNBIZ-UHFFFAOYSA-N 1 0 337.380 -1.177 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043483390 673616898 /nfs/dbraw/zinc/61/68/98/673616898.db2.gz PSYRKTSRYABAQI-JTQLQIEISA-N 1 0 337.380 -1.321 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043483393 673617039 /nfs/dbraw/zinc/61/70/39/673617039.db2.gz PSYRKTSRYABAQI-SNVBAGLBSA-N 1 0 337.380 -1.321 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043483606 673617096 /nfs/dbraw/zinc/61/70/96/673617096.db2.gz SNKNFHCERHDWMA-UHFFFAOYSA-N 1 0 325.369 -1.321 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043484191 673616939 /nfs/dbraw/zinc/61/69/39/673616939.db2.gz UZOIRLYCCMGVKN-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001043484353 673617077 /nfs/dbraw/zinc/61/70/77/673617077.db2.gz YFFIHYYTAZKUNW-LLVKDONJSA-N 1 0 349.391 -1.173 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001043484420 673617042 /nfs/dbraw/zinc/61/70/42/673617042.db2.gz YFFIHYYTAZKUNW-NSHDSACASA-N 1 0 349.391 -1.173 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1)[NH+](C)C ZINC001043484449 673616864 /nfs/dbraw/zinc/61/68/64/673616864.db2.gz YYJJHDFKVKQSGQ-LLVKDONJSA-N 1 0 337.380 -1.175 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)CC[N@@H+]1C ZINC001043484522 673617064 /nfs/dbraw/zinc/61/70/64/673617064.db2.gz AXLBZFRVHDAZPK-ZYHUDNBSSA-N 1 0 349.391 -1.175 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001043484667 673617081 /nfs/dbraw/zinc/61/70/81/673617081.db2.gz CHLDOEOCNWZDMA-JTQLQIEISA-N 1 0 337.380 -1.179 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001043484672 673616919 /nfs/dbraw/zinc/61/69/19/673616919.db2.gz CHLDOEOCNWZDMA-SNVBAGLBSA-N 1 0 337.380 -1.179 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043485026 673617301 /nfs/dbraw/zinc/61/73/01/673617301.db2.gz HLWNBNQXHINULS-GFCCVEGCSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043485027 673617275 /nfs/dbraw/zinc/61/72/75/673617275.db2.gz HLWNBNQXHINULS-LBPRGKRZSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043485068 673617314 /nfs/dbraw/zinc/61/73/14/673617314.db2.gz IFFFPYBIBQGJRA-LLVKDONJSA-N 1 0 335.364 -1.421 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043485075 673617326 /nfs/dbraw/zinc/61/73/26/673617326.db2.gz IFFFPYBIBQGJRA-NSHDSACASA-N 1 0 335.364 -1.421 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001043485694 673617335 /nfs/dbraw/zinc/61/73/35/673617335.db2.gz LRIUVUSGRDNUTD-UHFFFAOYSA-N 1 0 335.364 -1.419 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1)C1CCC1 ZINC001043485705 673617248 /nfs/dbraw/zinc/61/72/48/673617248.db2.gz LZSYJGKEQWFKHV-UHFFFAOYSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001043486636 673617574 /nfs/dbraw/zinc/61/75/74/673617574.db2.gz SQVJVFWYOMYGEY-JTQLQIEISA-N 1 0 335.364 -1.563 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001043486637 673617579 /nfs/dbraw/zinc/61/75/79/673617579.db2.gz 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ZINC001043660069 669024876 /nfs/dbraw/zinc/02/48/76/669024876.db2.gz KZSCINVECPTNQD-LLVKDONJSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043660070 669025149 /nfs/dbraw/zinc/02/51/49/669025149.db2.gz KZSCINVECPTNQD-NSHDSACASA-N 1 0 341.412 -1.781 20 0 EAADRO Cn1cnc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001043660754 673637436 /nfs/dbraw/zinc/63/74/36/673637436.db2.gz VGPBUSRHPCVYPT-UHFFFAOYSA-N 1 0 349.391 -1.821 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043660844 673637681 /nfs/dbraw/zinc/63/76/81/673637681.db2.gz NQEVVHDJJPGRCB-LLVKDONJSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043660845 673637744 /nfs/dbraw/zinc/63/77/44/673637744.db2.gz NQEVVHDJJPGRCB-NSHDSACASA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043661045 673637733 /nfs/dbraw/zinc/63/77/33/673637733.db2.gz WSONEAZRHCBMSI-JSGCOSHPSA-N 1 0 341.408 -1.424 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043661350 673637703 /nfs/dbraw/zinc/63/77/03/673637703.db2.gz QFHLFWRUSHDECU-LLVKDONJSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043661351 673637716 /nfs/dbraw/zinc/63/77/16/673637716.db2.gz QFHLFWRUSHDECU-NSHDSACASA-N 1 0 336.396 -1.018 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043663084 673637756 /nfs/dbraw/zinc/63/77/56/673637756.db2.gz XBWDKRLMEYQZMW-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043663089 673637738 /nfs/dbraw/zinc/63/77/38/673637738.db2.gz XBWDKRLMEYQZMW-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001043663141 673637645 /nfs/dbraw/zinc/63/76/45/673637645.db2.gz XHIOMADTKWSDJC-CYBMUJFWSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001043663144 673637724 /nfs/dbraw/zinc/63/77/24/673637724.db2.gz XHIOMADTKWSDJC-ZDUSSCGKSA-N 1 0 340.424 -1.314 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2cn[nH]n2)C1)C12CCC[NH+](CCC1)C2 ZINC001043669232 673638169 /nfs/dbraw/zinc/63/81/69/673638169.db2.gz FRZBSRZGNBFEHE-UHFFFAOYSA-N 1 0 348.407 -1.016 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001043670711 673638114 /nfs/dbraw/zinc/63/81/14/673638114.db2.gz PSQPPUWSKZXBBI-UHFFFAOYSA-N 1 0 338.408 -1.573 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2nc[nH]n2)C1)C12CCC[NH+](CCC1)C2 ZINC001043671043 673638330 /nfs/dbraw/zinc/63/83/30/673638330.db2.gz QHFLSLJMDHPSPI-UHFFFAOYSA-N 1 0 348.407 -1.016 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001043671804 673638680 /nfs/dbraw/zinc/63/86/80/673638680.db2.gz YBYDKVKEZRWHOJ-CHWSQXEVSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C2CN(C(C)=O)C2)C1)[NH+](C)C ZINC001043676893 673638956 /nfs/dbraw/zinc/63/89/56/673638956.db2.gz ADXZKRKAFISTRD-CYBMUJFWSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1)[NH+](C)C ZINC001043676897 673639070 /nfs/dbraw/zinc/63/90/70/673639070.db2.gz AFCZPPRNFBEUOW-NEPJUHHUSA-N 1 0 331.413 -1.323 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1)[NH+](C)C ZINC001043676899 673639054 /nfs/dbraw/zinc/63/90/54/673639054.db2.gz AFCZPPRNFBEUOW-VXGBXAGGSA-N 1 0 331.413 -1.323 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CN2CN=NC2=O)C1)[NH+](C)C ZINC001043676914 673639155 /nfs/dbraw/zinc/63/91/55/673639155.db2.gz ALPFKJQYCSAXSB-SNVBAGLBSA-N 1 0 340.384 -1.987 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)o2)C1)[NH+](C)C ZINC001043676921 673639048 /nfs/dbraw/zinc/63/90/48/673639048.db2.gz ARCIVYIZSBSISI-SNVBAGLBSA-N 1 0 340.380 -1.378 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2nnc(C)o2)C1)[NH+](C)C ZINC001043676961 673639059 /nfs/dbraw/zinc/63/90/59/673639059.db2.gz BSKVOPQITRRJHV-LLVKDONJSA-N 1 0 339.396 -1.050 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001043676979 673639017 /nfs/dbraw/zinc/63/90/17/673639017.db2.gz CCQFLBFGVRLKAC-SNVBAGLBSA-N 1 0 335.426 -1.939 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1)[NH+](C)C ZINC001043676981 673639027 /nfs/dbraw/zinc/63/90/27/673639027.db2.gz CJXRTLDHJRXGBV-NWDGAFQWSA-N 1 0 341.408 -1.031 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1)[NH+](C)C ZINC001043676983 673639057 /nfs/dbraw/zinc/63/90/57/673639057.db2.gz CJXRTLDHJRXGBV-VXGBXAGGSA-N 1 0 341.408 -1.031 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1)[NH+](C)C ZINC001043677005 673639022 /nfs/dbraw/zinc/63/90/22/673639022.db2.gz CXJVYXMWFMKQAA-LLVKDONJSA-N 1 0 337.380 -1.175 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1)[NH+](C)C ZINC001043677007 673639024 /nfs/dbraw/zinc/63/90/24/673639024.db2.gz CYZOJUZFUOKDAE-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1)[NH+](C)C ZINC001043677009 673639136 /nfs/dbraw/zinc/63/91/36/673639136.db2.gz CYZOJUZFUOKDAE-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043677012 673638943 /nfs/dbraw/zinc/63/89/43/673638943.db2.gz CZPZPCHMCMKTGJ-CHWSQXEVSA-N 1 0 342.440 -1.069 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](CC)NC(C)=O)C1)[NH+](C)C ZINC001043677013 673639068 /nfs/dbraw/zinc/63/90/68/673639068.db2.gz CZPZPCHMCMKTGJ-QWHCGFSZSA-N 1 0 342.440 -1.069 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1)[NH+](C)C ZINC001043677028 673639109 /nfs/dbraw/zinc/63/91/09/673639109.db2.gz DOMXFZRJJDSIDT-VXGBXAGGSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cnn(CC)n2)C1)[NH+](C)C ZINC001043677034 673639074 /nfs/dbraw/zinc/63/90/74/673639074.db2.gz DQMIFQQUXKXSIA-GFCCVEGCSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1)[NH+](C)C ZINC001043677046 673639076 /nfs/dbraw/zinc/63/90/76/673639076.db2.gz DVFIGQVEQCZIJL-LLVKDONJSA-N 1 0 337.380 -1.587 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1)[NH+](C)C ZINC001043677061 673639151 /nfs/dbraw/zinc/63/91/51/673639151.db2.gz FGEUYAAYYKLXEK-GFCCVEGCSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCN2C)C1)[NH+](C)C ZINC001043677064 673639050 /nfs/dbraw/zinc/63/90/50/673639050.db2.gz FGZZZPHBRJTDTE-CHWSQXEVSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCN2C)C1)[NH+](C)C ZINC001043677065 673639039 /nfs/dbraw/zinc/63/90/39/673639039.db2.gz FGZZZPHBRJTDTE-OLZOCXBDSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCCC(=O)NC)C1)[NH+](C)C ZINC001043677070 673639065 /nfs/dbraw/zinc/63/90/65/673639065.db2.gz FHRPBVHICSTXRA-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1)[NH+](C)C ZINC001043677075 673639094 /nfs/dbraw/zinc/63/90/94/673639094.db2.gz FMXJWTCRMILSAN-ABAIWWIYSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1)[NH+](C)C ZINC001043677263 673639107 /nfs/dbraw/zinc/63/91/07/673639107.db2.gz FMXJWTCRMILSAN-IAQYHMDHSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC001043677267 673639044 /nfs/dbraw/zinc/63/90/44/673639044.db2.gz FOCCAPCXSJCSCD-LLVKDONJSA-N 1 0 338.412 -1.315 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001043677287 673639072 /nfs/dbraw/zinc/63/90/72/673639072.db2.gz FYLKOGNAJBAKLA-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001043677289 673639088 /nfs/dbraw/zinc/63/90/88/673639088.db2.gz FYLKOGNAJBAKLA-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CN2CCOCC2)C1)[NH+](C)C ZINC001043677292 673639178 /nfs/dbraw/zinc/63/91/78/673639178.db2.gz GBFZCDISSPFYAE-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1)[NH+](C)C ZINC001043677303 673638987 /nfs/dbraw/zinc/63/89/87/673638987.db2.gz GIEPYZARCWYAAS-ABAIWWIYSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2cncn2C)C1)[NH+](C)C ZINC001043677306 673639009 /nfs/dbraw/zinc/63/90/09/673639009.db2.gz GIXKGUIGOJIPOX-CYBMUJFWSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1)[NH+](C)C ZINC001043677350 673639062 /nfs/dbraw/zinc/63/90/62/673639062.db2.gz GRLSHVJSDNBBOO-CYBMUJFWSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043677355 673639132 /nfs/dbraw/zinc/63/91/32/673639132.db2.gz GUIUKQRLFAAENS-GHMZBOCLSA-N 1 0 326.397 -1.705 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043677356 673639090 /nfs/dbraw/zinc/63/90/90/673639090.db2.gz GUIUKQRLFAAENS-WDEREUQCSA-N 1 0 326.397 -1.705 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001043677369 673639115 /nfs/dbraw/zinc/63/91/15/673639115.db2.gz HNAIWBJOGBIHMM-SNVBAGLBSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1)[NH+](C)C ZINC001043677373 673639003 /nfs/dbraw/zinc/63/90/03/673639003.db2.gz HSVMVNHKMULUEM-SNVBAGLBSA-N 1 0 336.396 -1.298 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001043677383 673638949 /nfs/dbraw/zinc/63/89/49/673638949.db2.gz HXLKMSQPZQTQSR-VHSXEESVSA-N 1 0 329.401 -1.927 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1)[NH+](C)C ZINC001043677391 673639052 /nfs/dbraw/zinc/63/90/52/673639052.db2.gz IFCHSQNEEDOPJO-GFCCVEGCSA-N 1 0 339.396 -1.050 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C2CS(=O)(=O)C2)C1)[NH+](C)C ZINC001043677412 673639162 /nfs/dbraw/zinc/63/91/62/673639162.db2.gz IYKJFYUMXBDLMT-LLVKDONJSA-N 1 0 347.437 -1.939 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001043677429 673639169 /nfs/dbraw/zinc/63/91/69/673639169.db2.gz JQSYCFGYWHWJLP-CHWSQXEVSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001043677430 673639140 /nfs/dbraw/zinc/63/91/40/673639140.db2.gz JQSYCFGYWHWJLP-OLZOCXBDSA-N 1 0 342.440 -1.653 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043677679 673639399 /nfs/dbraw/zinc/63/93/99/673639399.db2.gz JYNZBJHGIXZWCA-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001043677699 673639396 /nfs/dbraw/zinc/63/93/96/673639396.db2.gz KHGNECUXZHLPJN-SNVBAGLBSA-N 1 0 325.373 -2.297 20 0 EAADRO CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043677704 673639365 /nfs/dbraw/zinc/63/93/65/673639365.db2.gz KJRZWGMIGSKFEL-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCc2nnc[nH]2)C1)[NH+](C)C ZINC001043677743 673639421 /nfs/dbraw/zinc/63/94/21/673639421.db2.gz LFZGZDSPFGTZIK-LLVKDONJSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1)[NH+](C)C ZINC001043677754 673639380 /nfs/dbraw/zinc/63/93/80/673639380.db2.gz LMGOMZWNYLLZRL-LLVKDONJSA-N 1 0 338.412 -1.354 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CNC(=O)OC)C1)[NH+](C)C ZINC001043677877 673639473 /nfs/dbraw/zinc/63/94/73/673639473.db2.gz BUGJQWGZTZMWFL-SNVBAGLBSA-N 1 0 330.385 -1.628 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCc2cn[nH]n2)C1)[NH+](C)C ZINC001043677887 673639464 /nfs/dbraw/zinc/63/94/64/673639464.db2.gz NXIMGVTXUNJLAB-GFCCVEGCSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001043678111 673639377 /nfs/dbraw/zinc/63/93/77/673639377.db2.gz OFHASEWDGKVYCQ-SNVBAGLBSA-N 1 0 326.397 -1.718 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1)[NH+](C)C ZINC001043678133 673639524 /nfs/dbraw/zinc/63/95/24/673639524.db2.gz OPWXCXXWKWTJKY-CHWSQXEVSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1)[NH+](C)C ZINC001043678134 673639553 /nfs/dbraw/zinc/63/95/53/673639553.db2.gz OPWXCXXWKWTJKY-QWHCGFSZSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001043678142 673639477 /nfs/dbraw/zinc/63/94/77/673639477.db2.gz OZJWSTIVUHNFHA-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001043678143 673639530 /nfs/dbraw/zinc/63/95/30/673639530.db2.gz OZJWSTIVUHNFHA-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1)[NH+](C)C ZINC001043678145 673639547 /nfs/dbraw/zinc/63/95/47/673639547.db2.gz OZKRHQGPGTXWKY-CYBMUJFWSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cn(CC)nn2)C1)[NH+](C)C ZINC001043678161 673639451 /nfs/dbraw/zinc/63/94/51/673639451.db2.gz PIXRKLWHFKKBGI-GFCCVEGCSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1)[NH+](C)C ZINC001043678162 673639568 /nfs/dbraw/zinc/63/95/68/673639568.db2.gz PMNSUHMVZNLXBC-GFCCVEGCSA-N 1 0 340.424 -1.458 20 0 EAADRO CCNC(=O)CCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043678197 673639370 /nfs/dbraw/zinc/63/93/70/673639370.db2.gz QCDCWBIBRUHKBK-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043678202 673639494 /nfs/dbraw/zinc/63/94/94/673639494.db2.gz QGLDJHACYRYAER-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043678208 673639516 /nfs/dbraw/zinc/63/95/16/673639516.db2.gz QJBQSHOPCUCAMF-NWDGAFQWSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043678209 673639392 /nfs/dbraw/zinc/63/93/92/673639392.db2.gz QJBQSHOPCUCAMF-VXGBXAGGSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCn2cnnn2)C1)[NH+](C)C ZINC001043678222 673639389 /nfs/dbraw/zinc/63/93/89/673639389.db2.gz QZFRGRCVACLUMT-LLVKDONJSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1)[NH+](C)C ZINC001043678244 673639455 /nfs/dbraw/zinc/63/94/55/673639455.db2.gz RJYLBMUXCWFXIU-NWDGAFQWSA-N 1 0 338.412 -1.131 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1)[NH+](C)C ZINC001043678247 673639402 /nfs/dbraw/zinc/63/94/02/673639402.db2.gz RJYLBMUXCWFXIU-VXGBXAGGSA-N 1 0 338.412 -1.131 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1)[NH+](C)C ZINC001043678254 673639372 /nfs/dbraw/zinc/63/93/72/673639372.db2.gz RLCQKUOSQYHYFI-LLVKDONJSA-N 1 0 337.380 -1.175 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001043678303 673639518 /nfs/dbraw/zinc/63/95/18/673639518.db2.gz FTDSBDYSIVTCJM-SNVBAGLBSA-N 1 0 325.373 -2.297 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1)[NH+](C)C ZINC001043678327 673639563 /nfs/dbraw/zinc/63/95/63/673639563.db2.gz GARWYWUQELVLQG-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1)[NH+](C)C ZINC001043678347 673639367 /nfs/dbraw/zinc/63/93/67/673639367.db2.gz GNFMYEMUMKMJHR-LLVKDONJSA-N 1 0 327.381 -1.096 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1)[NH+](C)C ZINC001043678395 673639418 /nfs/dbraw/zinc/63/94/18/673639418.db2.gz HSGKAODRKMSEKD-GFCCVEGCSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2ccnn2C)C1)[NH+](C)C ZINC001043678613 673639542 /nfs/dbraw/zinc/63/95/42/673639542.db2.gz SDVSECXAANLTSM-CYBMUJFWSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1)[NH+](C)C ZINC001043678614 673639506 /nfs/dbraw/zinc/63/95/06/673639506.db2.gz SERRKHGQWMLYGP-LLVKDONJSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@@H](C)NC(N)=O)C1)[NH+](C)C ZINC001043678621 673639384 /nfs/dbraw/zinc/63/93/84/673639384.db2.gz SLVDNHGIRDBDNY-GHMZBOCLSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001043678622 673639501 /nfs/dbraw/zinc/63/95/01/673639501.db2.gz SLVDNHGIRDBDNY-WDEREUQCSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001043678719 669025564 /nfs/dbraw/zinc/02/55/64/669025564.db2.gz SUYOVEYZKRLNGT-NXEZZACHSA-N 1 0 327.385 -2.303 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001043678721 669025671 /nfs/dbraw/zinc/02/56/71/669025671.db2.gz SUYOVEYZKRLNGT-VHSXEESVSA-N 1 0 327.385 -2.303 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)NC(C)=O)C1)[NH+](C)C ZINC001043678738 673639448 /nfs/dbraw/zinc/63/94/48/673639448.db2.gz SZRQFTJKFKOIKE-GFCCVEGCSA-N 1 0 342.440 -1.069 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001043678743 673639407 /nfs/dbraw/zinc/63/94/07/673639407.db2.gz TVWUCIVYNYXJTN-SNVBAGLBSA-N 1 0 329.401 -1.926 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCNC(=O)NC)C1)[NH+](C)C ZINC001043679216 673639442 /nfs/dbraw/zinc/63/94/42/673639442.db2.gz WMDPASQKICXQNZ-LLVKDONJSA-N 1 0 343.428 -1.665 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)[NH+](C)C ZINC001043679234 673639497 /nfs/dbraw/zinc/63/94/97/673639497.db2.gz WXSILMUJRXPIMQ-OUAUKWLOSA-N 1 0 326.397 -1.863 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)C2(NC(N)=O)CC2)C1)[NH+](C)C ZINC001043679243 673639536 /nfs/dbraw/zinc/63/95/36/673639536.db2.gz XEFXAHHLQWYZCQ-SNVBAGLBSA-N 1 0 341.412 -1.783 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)COCCOC)C1)[NH+](C)C ZINC001043679250 673639490 /nfs/dbraw/zinc/63/94/90/673639490.db2.gz XJAQKGFFBYJIRX-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cnnn2CC)C1)[NH+](C)C ZINC001043679276 673639375 /nfs/dbraw/zinc/63/93/75/673639375.db2.gz XUSQKHQIYJMYEL-LLVKDONJSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cn(C)c(=O)[nH]2)C1)[NH+](C)C ZINC001043679281 673639413 /nfs/dbraw/zinc/63/94/13/673639413.db2.gz XWSNNJGFWLYVIB-LLVKDONJSA-N 1 0 339.396 -1.231 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001043679289 673639486 /nfs/dbraw/zinc/63/94/86/673639486.db2.gz YHOVECWVQBYUJJ-NXEZZACHSA-N 1 0 328.369 -1.876 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001043679292 673639363 /nfs/dbraw/zinc/63/93/63/673639363.db2.gz YHOVECWVQBYUJJ-VHSXEESVSA-N 1 0 328.369 -1.876 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1)[NH+](C)C ZINC001043679310 673639359 /nfs/dbraw/zinc/63/93/59/673639359.db2.gz YNTNGFPKLIPNMD-LLVKDONJSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001043679431 673638935 /nfs/dbraw/zinc/63/89/35/673638935.db2.gz ACVAYPFABPFCCA-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001043679437 673638977 /nfs/dbraw/zinc/63/89/77/673638977.db2.gz ACVAYPFABPFCCA-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1)[NH+](C)C ZINC001043679588 673639461 /nfs/dbraw/zinc/63/94/61/673639461.db2.gz LJNFUVGCJOTRGM-GFCCVEGCSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001043679598 673639430 /nfs/dbraw/zinc/63/94/30/673639430.db2.gz LKVLAXYKNHELLL-GFCCVEGCSA-N 1 0 328.413 -1.506 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CNC(=O)NC)C1)[NH+](C)C ZINC001043679965 673639828 /nfs/dbraw/zinc/63/98/28/673639828.db2.gz CUYYMERFKHEYDT-SNVBAGLBSA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2OCCO[C@H]2C)C1)[NH+](C)C ZINC001043680022 673639720 /nfs/dbraw/zinc/63/97/20/673639720.db2.gz DJKYQFYPMWNIFI-XQQFMLRXSA-N 1 0 343.424 -1.180 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001043680104 673639760 /nfs/dbraw/zinc/63/97/60/673639760.db2.gz FJAFLZAQTCQMFA-ABAIWWIYSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001043680105 673639802 /nfs/dbraw/zinc/63/98/02/673639802.db2.gz FJAFLZAQTCQMFA-IAQYHMDHSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1)[NH+](C)C ZINC001043680218 673639712 /nfs/dbraw/zinc/63/97/12/673639712.db2.gz ORNSOPBHNVBLGC-LLVKDONJSA-N 1 0 337.380 -1.175 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1)[NH+](C)C ZINC001043680302 673639846 /nfs/dbraw/zinc/63/98/46/673639846.db2.gz PYDIHTURAWLJDF-CYBMUJFWSA-N 1 0 336.392 -1.037 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001043680440 673639576 /nfs/dbraw/zinc/63/95/76/673639576.db2.gz FUDWRGSLUZDCDZ-GHMZBOCLSA-N 1 0 349.453 -1.551 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001043680443 673639423 /nfs/dbraw/zinc/63/94/23/673639423.db2.gz FUDWRGSLUZDCDZ-WDEREUQCSA-N 1 0 349.453 -1.551 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)[NH+](C)C ZINC001043680540 673639842 /nfs/dbraw/zinc/63/98/42/673639842.db2.gz GVODCSSJMACPEA-XQHKEYJVSA-N 1 0 325.409 -1.092 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043680824 673639776 /nfs/dbraw/zinc/63/97/76/673639776.db2.gz QJPULZGOPMYFFK-NEPJUHHUSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001043680826 673639820 /nfs/dbraw/zinc/63/98/20/673639820.db2.gz QJPULZGOPMYFFK-NWDGAFQWSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001043680829 673639850 /nfs/dbraw/zinc/63/98/50/673639850.db2.gz QJPULZGOPMYFFK-RYUDHWBXSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043680831 673639714 /nfs/dbraw/zinc/63/97/14/673639714.db2.gz QJPULZGOPMYFFK-VXGBXAGGSA-N 1 0 338.408 -1.432 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001043681060 673639751 /nfs/dbraw/zinc/63/97/51/673639751.db2.gz IQDWBQYZCIXTQL-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001043681062 673639819 /nfs/dbraw/zinc/63/98/19/673639819.db2.gz IQDWBQYZCIXTQL-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001043681086 673639796 /nfs/dbraw/zinc/63/97/96/673639796.db2.gz IYCXCOZDUFGIRF-SECBINFHSA-N 1 0 325.373 -2.147 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)n2C)C1)[NH+](C)C ZINC001043681493 673639981 /nfs/dbraw/zinc/63/99/81/673639981.db2.gz KFEDOEUCDQCQCD-SNVBAGLBSA-N 1 0 339.396 -1.231 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001043681543 673639999 /nfs/dbraw/zinc/63/99/99/673639999.db2.gz VCXPJXFDLKSJBT-NEPJUHHUSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)[NH+](C)C ZINC001043681544 673640051 /nfs/dbraw/zinc/64/00/51/673640051.db2.gz VCXPJXFDLKSJBT-VXGBXAGGSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCS(C)(=O)=O)C1)[NH+](C)C ZINC001043681706 673640035 /nfs/dbraw/zinc/64/00/35/673640035.db2.gz MFKHRJAUGUPUGN-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CS(=O)(=O)CC)C1)[NH+](C)C ZINC001043681737 673640084 /nfs/dbraw/zinc/64/00/84/673640084.db2.gz MJECIDAJNIUIRE-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1)[NH+](C)C ZINC001043681950 673639977 /nfs/dbraw/zinc/63/99/77/673639977.db2.gz YPUZVYGYBBKCFM-CMPLNLGQSA-N 1 0 328.413 -1.459 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1)[NH+](C)C ZINC001043681951 673640076 /nfs/dbraw/zinc/64/00/76/673640076.db2.gz YPUZVYGYBBKCFM-ZYHUDNBSSA-N 1 0 328.413 -1.459 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001043682039 673640080 /nfs/dbraw/zinc/64/00/80/673640080.db2.gz MPXDZUJCJIAGPC-GHMZBOCLSA-N 1 0 326.397 -1.848 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001043682040 673640082 /nfs/dbraw/zinc/64/00/82/673640082.db2.gz MPXDZUJCJIAGPC-WDEREUQCSA-N 1 0 326.397 -1.848 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1)[NH+](C)C ZINC001043682103 673640032 /nfs/dbraw/zinc/64/00/32/673640032.db2.gz NSABUHFZMMKWPF-LLVKDONJSA-N 1 0 328.413 -1.506 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2C)C1)[NH+](C)C ZINC001043682509 673640008 /nfs/dbraw/zinc/64/00/08/673640008.db2.gz QJMPVUAPRZMSPH-NEPJUHHUSA-N 1 0 340.424 -1.363 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2C)C1)[NH+](C)C ZINC001043682510 673640025 /nfs/dbraw/zinc/64/00/25/673640025.db2.gz QJMPVUAPRZMSPH-VXGBXAGGSA-N 1 0 340.424 -1.363 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1)[NH+](C)C ZINC001043682519 673640098 /nfs/dbraw/zinc/64/00/98/673640098.db2.gz QOHCXQICAOTQPJ-GHMZBOCLSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1)[NH+](C)C ZINC001043682520 673640094 /nfs/dbraw/zinc/64/00/94/673640094.db2.gz QOHCXQICAOTQPJ-WDEREUQCSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C(=O)N2)C1)[NH+](C)C ZINC001043682538 673640028 /nfs/dbraw/zinc/64/00/28/673640028.db2.gz REEOBUWWKVTCQO-GHMZBOCLSA-N 1 0 341.412 -1.960 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1)[NH+](C)C ZINC001043682539 673640010 /nfs/dbraw/zinc/64/00/10/673640010.db2.gz REEOBUWWKVTCQO-WDEREUQCSA-N 1 0 341.412 -1.960 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001043682568 673640042 /nfs/dbraw/zinc/64/00/42/673640042.db2.gz RUFTUGIVMMUTQT-NWDGAFQWSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001043682569 673640002 /nfs/dbraw/zinc/64/00/02/673640002.db2.gz RUFTUGIVMMUTQT-VXGBXAGGSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043683245 673640365 /nfs/dbraw/zinc/64/03/65/673640365.db2.gz LGLPPPFYCGPLNC-UHFFFAOYSA-N 1 0 342.396 -2.480 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001043683594 673640371 /nfs/dbraw/zinc/64/03/71/673640371.db2.gz NTPINFLJDFKWLP-UHFFFAOYSA-N 1 0 343.424 -1.319 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001043683701 673640306 /nfs/dbraw/zinc/64/03/06/673640306.db2.gz WSXNGFROKREPNT-NWDGAFQWSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001043683703 673640285 /nfs/dbraw/zinc/64/02/85/673640285.db2.gz WSXNGFROKREPNT-VXGBXAGGSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1)[NH+](C)C ZINC001043683721 673640345 /nfs/dbraw/zinc/64/03/45/673640345.db2.gz XGULBBDHUZHEJK-LLVKDONJSA-N 1 0 328.413 -1.328 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043683779 673640322 /nfs/dbraw/zinc/64/03/22/673640322.db2.gz YREFJCZHGNZNSV-NWDGAFQWSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043683781 673640369 /nfs/dbraw/zinc/64/03/69/673640369.db2.gz YREFJCZHGNZNSV-VXGBXAGGSA-N 1 0 342.440 -1.069 20 0 EAADRO COCCOCCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043687178 673640593 /nfs/dbraw/zinc/64/05/93/673640593.db2.gz JFHFXZNJRYCBSS-UHFFFAOYSA-N 1 0 343.424 -1.175 20 0 EAADRO COCCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043687631 673640616 /nfs/dbraw/zinc/64/06/16/673640616.db2.gz MKNTXLZFPXVUJY-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOCCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043687993 673640562 /nfs/dbraw/zinc/64/05/62/673640562.db2.gz OZEQWJNHGCHCEN-UHFFFAOYSA-N 1 0 331.413 -1.319 20 0 EAADRO COCCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043688930 673640881 /nfs/dbraw/zinc/64/08/81/673640881.db2.gz YNJSAAZMRBOBME-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043688931 673640853 /nfs/dbraw/zinc/64/08/53/673640853.db2.gz YNJSAAZMRBOBME-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO NC(=O)C(=O)N1CC(O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001043690834 673640877 /nfs/dbraw/zinc/64/08/77/673640877.db2.gz HJQQTHMOTYSVJC-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001043691978 673640899 /nfs/dbraw/zinc/64/08/99/673640899.db2.gz QLUGKRBXBLKKAA-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO COCCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043692945 673640915 /nfs/dbraw/zinc/64/09/15/673640915.db2.gz MKNTXLZFPXVUJY-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001043695387 673641066 /nfs/dbraw/zinc/64/10/66/673641066.db2.gz BAOPGPMVRIBSKE-UHFFFAOYSA-N 1 0 349.391 -1.565 20 0 EAADRO NC(=O)CCCC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043706228 673642205 /nfs/dbraw/zinc/64/22/05/673642205.db2.gz DRDDPVAWGXWXOG-UHFFFAOYSA-N 1 0 338.408 -1.573 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)CCCC(N)=O)C2)C1 ZINC001043706447 673642167 /nfs/dbraw/zinc/64/21/67/673642167.db2.gz KPNAQYAHXHGGPA-GFCCVEGCSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)CCCC(N)=O)C2)C1 ZINC001043706448 673642180 /nfs/dbraw/zinc/64/21/80/673642180.db2.gz KPNAQYAHXHGGPA-LBPRGKRZSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)CCCC(N)=O)C2)CC1 ZINC001043706516 673642191 /nfs/dbraw/zinc/64/21/91/673642191.db2.gz NOMZVGUNTMFGLD-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1)[NH+](C)C ZINC001043706523 673642219 /nfs/dbraw/zinc/64/22/19/673642219.db2.gz NVRSUXDCKSEASX-AWEZNQCLSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1)[NH+](C)C ZINC001043706524 673642211 /nfs/dbraw/zinc/64/22/11/673642211.db2.gz NVRSUXDCKSEASX-CQSZACIVSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1)[NH+](C)C ZINC001043706553 673642141 /nfs/dbraw/zinc/64/21/41/673642141.db2.gz PCUWYQHMFVUCEB-LLVKDONJSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1)[NH+](C)C ZINC001043706554 673642208 /nfs/dbraw/zinc/64/22/08/673642208.db2.gz PCUWYQHMFVUCEB-NSHDSACASA-N 1 0 328.413 -1.328 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)CCCC(N)=O)C2)CCC1 ZINC001043706573 673642228 /nfs/dbraw/zinc/64/22/28/673642228.db2.gz APLUXDOTCJGOFZ-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)Cn3cccn3)C2)CC1 ZINC001043706578 673642171 /nfs/dbraw/zinc/64/21/71/673642171.db2.gz AVPINKIVFMYZAW-UHFFFAOYSA-N 1 0 335.408 -1.086 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)[C@H]3COCCO3)C2)CC1 ZINC001043706617 673642415 /nfs/dbraw/zinc/64/24/15/673642415.db2.gz BBSVMYTYHGGQSR-CYBMUJFWSA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3COCCO3)C2)CC1 ZINC001043706619 673642404 /nfs/dbraw/zinc/64/24/04/673642404.db2.gz BBSVMYTYHGGQSR-ZDUSSCGKSA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)Cn3cncn3)C2)CC1 ZINC001043706970 673642498 /nfs/dbraw/zinc/64/24/98/673642498.db2.gz AQCAJVMVGGLATG-UHFFFAOYSA-N 1 0 336.396 -1.691 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001043706971 673642463 /nfs/dbraw/zinc/64/24/63/673642463.db2.gz ASYPUCXEIMSCPJ-GFCCVEGCSA-N 1 0 338.408 -1.704 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC001043706972 673642406 /nfs/dbraw/zinc/64/24/06/673642406.db2.gz ASYPUCXEIMSCPJ-LBPRGKRZSA-N 1 0 338.408 -1.704 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043706974 673642525 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NC(=O)CCCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043707169 673642435 /nfs/dbraw/zinc/64/24/35/673642435.db2.gz FCUJLPMMRQCQTC-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043707190 673642443 /nfs/dbraw/zinc/64/24/43/673642443.db2.gz GBEONJQTQWOWDM-LLVKDONJSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043707191 673642533 /nfs/dbraw/zinc/64/25/33/673642533.db2.gz GBEONJQTQWOWDM-NSHDSACASA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001043707195 673642674 /nfs/dbraw/zinc/64/26/74/673642674.db2.gz GCHDKKKAQCKQLK-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001043707196 673642876 /nfs/dbraw/zinc/64/28/76/673642876.db2.gz GCHDKKKAQCKQLK-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1)C1CC1 ZINC001043707197 673642642 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ZINC001043771788 673654149 /nfs/dbraw/zinc/65/41/49/673654149.db2.gz YZSIUFHGIQLWJG-OLZOCXBDSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043771789 673654209 /nfs/dbraw/zinc/65/42/09/673654209.db2.gz YZSIUFHGIQLWJG-QWHCGFSZSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043771790 673654055 /nfs/dbraw/zinc/65/40/55/673654055.db2.gz YZSIUFHGIQLWJG-STQMWFEESA-N 1 0 343.424 -1.178 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001043771815 673654120 /nfs/dbraw/zinc/65/41/20/673654120.db2.gz ZOSHZZVWXMSIIF-LLVKDONJSA-N 1 0 336.396 -1.479 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001043771816 673654014 /nfs/dbraw/zinc/65/40/14/673654014.db2.gz ZOSHZZVWXMSIIF-NSHDSACASA-N 1 0 336.396 -1.479 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043771858 673653968 /nfs/dbraw/zinc/65/39/68/673653968.db2.gz 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C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001043771887 673653837 /nfs/dbraw/zinc/65/38/37/673653837.db2.gz ZZDFORIVDLBIHH-QWRGUYRKSA-N 1 0 340.380 -1.731 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001043771890 673654061 /nfs/dbraw/zinc/65/40/61/673654061.db2.gz ZZDFORIVDLBIHH-WDEREUQCSA-N 1 0 340.380 -1.731 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001043772719 673654040 /nfs/dbraw/zinc/65/40/40/673654040.db2.gz GVTLCUHHBQLCQG-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001043772721 673653899 /nfs/dbraw/zinc/65/38/99/673653899.db2.gz GVTLCUHHBQLCQG-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043772748 673654079 /nfs/dbraw/zinc/65/40/79/673654079.db2.gz HDXROSZRQYMNCU-LLVKDONJSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043772750 673654188 /nfs/dbraw/zinc/65/41/88/673654188.db2.gz HDXROSZRQYMNCU-NSHDSACASA-N 1 0 336.396 -1.099 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043773060 673654075 /nfs/dbraw/zinc/65/40/75/673654075.db2.gz JHRLPNWMUCGQBO-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043773061 673654070 /nfs/dbraw/zinc/65/40/70/673654070.db2.gz JHRLPNWMUCGQBO-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043773062 673653905 /nfs/dbraw/zinc/65/39/05/673653905.db2.gz JHRLPNWMUCGQBO-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043773063 673654087 /nfs/dbraw/zinc/65/40/87/673654087.db2.gz JHRLPNWMUCGQBO-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043773142 673653979 /nfs/dbraw/zinc/65/39/79/673653979.db2.gz KWFCTWJIRFTJOV-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043773144 673654058 /nfs/dbraw/zinc/65/40/58/673654058.db2.gz KWFCTWJIRFTJOV-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001043773170 673654104 /nfs/dbraw/zinc/65/41/04/673654104.db2.gz LGXCGTJGSFDBRM-GFCCVEGCSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001043773171 673653988 /nfs/dbraw/zinc/65/39/88/673653988.db2.gz LGXCGTJGSFDBRM-LBPRGKRZSA-N 1 0 349.391 -1.030 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001043773215 673653999 /nfs/dbraw/zinc/65/39/99/673653999.db2.gz NAGNUWABMZTIBA-GFCCVEGCSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001043773218 673654052 /nfs/dbraw/zinc/65/40/52/673654052.db2.gz NAGNUWABMZTIBA-LBPRGKRZSA-N 1 0 336.396 -1.548 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001043773664 673653974 /nfs/dbraw/zinc/65/39/74/673653974.db2.gz PPPCJTHWSMHACQ-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001043773665 673653941 /nfs/dbraw/zinc/65/39/41/673653941.db2.gz PPPCJTHWSMHACQ-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001043773666 673654049 /nfs/dbraw/zinc/65/40/49/673654049.db2.gz PPPCJTHWSMHACQ-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001043773667 673654174 /nfs/dbraw/zinc/65/41/74/673654174.db2.gz PPPCJTHWSMHACQ-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043773668 673654165 /nfs/dbraw/zinc/65/41/65/673654165.db2.gz PQQCNFDRHUKGNW-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043773669 673654493 /nfs/dbraw/zinc/65/44/93/673654493.db2.gz PQQCNFDRHUKGNW-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001043774047 673654452 /nfs/dbraw/zinc/65/44/52/673654452.db2.gz REZLLYUDMWTNEV-JTQLQIEISA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001043774048 673654524 /nfs/dbraw/zinc/65/45/24/673654524.db2.gz REZLLYUDMWTNEV-SNVBAGLBSA-N 1 0 337.384 -2.003 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001043774073 673654471 /nfs/dbraw/zinc/65/44/71/673654471.db2.gz RYPZLZNZMKEANI-LLVKDONJSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001043774074 673654366 /nfs/dbraw/zinc/65/43/66/673654366.db2.gz RYPZLZNZMKEANI-NSHDSACASA-N 1 0 341.412 -1.781 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001043777303 673654478 /nfs/dbraw/zinc/65/44/78/673654478.db2.gz UUIZILGQDWREDX-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001043777304 673654412 /nfs/dbraw/zinc/65/44/12/673654412.db2.gz UUIZILGQDWREDX-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1)[NH+](C)C ZINC001043777866 669037107 /nfs/dbraw/zinc/03/71/07/669037107.db2.gz CHTUXUYKZLTGIZ-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1)[NH+](C)C ZINC001043777869 669037443 /nfs/dbraw/zinc/03/74/43/669037443.db2.gz CHTUXUYKZLTGIZ-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043778600 673655031 /nfs/dbraw/zinc/65/50/31/673655031.db2.gz LAXCQLCSKGANFA-UHFFFAOYSA-N 1 0 349.453 -1.549 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043778859 673654096 /nfs/dbraw/zinc/65/40/96/673654096.db2.gz MDCJIFVXGNMRTM-UHFFFAOYSA-N 1 0 335.426 -1.938 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043778917 669038590 /nfs/dbraw/zinc/03/85/90/669038590.db2.gz MUZDFGAJZQPAJF-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001043778977 669038302 /nfs/dbraw/zinc/03/83/02/669038302.db2.gz DYRPEPYBMSPLMK-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001043778980 669038278 /nfs/dbraw/zinc/03/82/78/669038278.db2.gz DYRPEPYBMSPLMK-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043779092 673655365 /nfs/dbraw/zinc/65/53/65/673655365.db2.gz PLAYRHRRRSJBQL-LLVKDONJSA-N 1 0 347.437 -1.795 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043779094 673655320 /nfs/dbraw/zinc/65/53/20/673655320.db2.gz PLAYRHRRRSJBQL-NSHDSACASA-N 1 0 347.437 -1.795 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001043779146 673655731 /nfs/dbraw/zinc/65/57/31/673655731.db2.gz GXHMEEOXXPHYPK-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001043779147 673655638 /nfs/dbraw/zinc/65/56/38/673655638.db2.gz GXHMEEOXXPHYPK-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043779574 673655631 /nfs/dbraw/zinc/65/56/31/673655631.db2.gz SOMDQGMIRNZADI-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO CS(=O)(=O)CCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043779610 673655929 /nfs/dbraw/zinc/65/59/29/673655929.db2.gz UHXHQVPGFLFLAS-UHFFFAOYSA-N 1 0 347.437 -1.794 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043779630 669037835 /nfs/dbraw/zinc/03/78/35/669037835.db2.gz UTSIPGLSCFWSKM-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001043779647 673655933 /nfs/dbraw/zinc/65/59/33/673655933.db2.gz VWEBONFTZVHIMC-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001043779830 673655962 /nfs/dbraw/zinc/65/59/62/673655962.db2.gz JZKNOCZCKVXPIB-LLVKDONJSA-N 1 0 349.453 -1.551 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001043779833 669039539 /nfs/dbraw/zinc/03/95/39/669039539.db2.gz JZKNOCZCKVXPIB-NSHDSACASA-N 1 0 349.453 -1.551 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCS(C)(=O)=O)C2)C1 ZINC001043779858 673655973 /nfs/dbraw/zinc/65/59/73/673655973.db2.gz XUIIWXBKCUFKFS-LLVKDONJSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCS(C)(=O)=O)C2)C1 ZINC001043779859 673655950 /nfs/dbraw/zinc/65/59/50/673655950.db2.gz XUIIWXBKCUFKFS-NSHDSACASA-N 1 0 347.437 -1.938 20 0 EAADRO C[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043779979 673656333 /nfs/dbraw/zinc/65/63/33/673656333.db2.gz KLPQIYUWFNFVNB-GHMZBOCLSA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043779981 673656235 /nfs/dbraw/zinc/65/62/35/673656235.db2.gz KLPQIYUWFNFVNB-MNOVXSKESA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043779982 673656286 /nfs/dbraw/zinc/65/62/86/673656286.db2.gz KLPQIYUWFNFVNB-QWRGUYRKSA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001043779984 673656341 /nfs/dbraw/zinc/65/63/41/673656341.db2.gz KLPQIYUWFNFVNB-WDEREUQCSA-N 1 0 347.437 -1.939 20 0 EAADRO C[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001043780016 673656295 /nfs/dbraw/zinc/65/62/95/673656295.db2.gz KWICSIHXVZVBNV-GHMZBOCLSA-N 1 0 347.437 -1.797 20 0 EAADRO C[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001043780019 673656241 /nfs/dbraw/zinc/65/62/41/673656241.db2.gz KWICSIHXVZVBNV-MNOVXSKESA-N 1 0 347.437 -1.797 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001043780021 673656413 /nfs/dbraw/zinc/65/64/13/673656413.db2.gz KWICSIHXVZVBNV-QWRGUYRKSA-N 1 0 347.437 -1.797 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001043780023 673656377 /nfs/dbraw/zinc/65/63/77/673656377.db2.gz KWICSIHXVZVBNV-WDEREUQCSA-N 1 0 347.437 -1.797 20 0 EAADRO C[C@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001043780222 673656399 /nfs/dbraw/zinc/65/63/99/673656399.db2.gz LIXYTZJWOCQTOL-LLVKDONJSA-N 1 0 347.437 -1.795 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001043780223 673656308 /nfs/dbraw/zinc/65/63/08/673656308.db2.gz LIXYTZJWOCQTOL-NSHDSACASA-N 1 0 347.437 -1.795 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001043780234 673656369 /nfs/dbraw/zinc/65/63/69/673656369.db2.gz LNEDSEQCFGPNBV-JTQLQIEISA-N 1 0 335.426 -1.939 20 0 EAADRO C[C@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001043780235 673656313 /nfs/dbraw/zinc/65/63/13/673656313.db2.gz LNEDSEQCFGPNBV-SNVBAGLBSA-N 1 0 335.426 -1.939 20 0 EAADRO C[C@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001043781268 673656811 /nfs/dbraw/zinc/65/68/11/673656811.db2.gz TUQVCWWRJWJYMO-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001043781269 673656891 /nfs/dbraw/zinc/65/68/91/673656891.db2.gz TUQVCWWRJWJYMO-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001043781576 673657216 /nfs/dbraw/zinc/65/72/16/673657216.db2.gz YGHGSVSGQUHRCZ-GHMZBOCLSA-N 1 0 349.453 -1.551 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001043781577 673657243 /nfs/dbraw/zinc/65/72/43/673657243.db2.gz YGHGSVSGQUHRCZ-MNOVXSKESA-N 1 0 349.453 -1.551 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001043781578 673657135 /nfs/dbraw/zinc/65/71/35/673657135.db2.gz YGHGSVSGQUHRCZ-QWRGUYRKSA-N 1 0 349.453 -1.551 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001043781579 673657164 /nfs/dbraw/zinc/65/71/64/673657164.db2.gz YGHGSVSGQUHRCZ-WDEREUQCSA-N 1 0 349.453 -1.551 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001043786663 673657466 /nfs/dbraw/zinc/65/74/66/673657466.db2.gz FEHKAFRJSNKIRO-CYBMUJFWSA-N 1 0 348.403 -1.217 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001043786664 673657524 /nfs/dbraw/zinc/65/75/24/673657524.db2.gz FEHKAFRJSNKIRO-ZDUSSCGKSA-N 1 0 348.403 -1.217 20 0 EAADRO CN1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC1=O ZINC001043789786 673658116 /nfs/dbraw/zinc/65/81/16/673658116.db2.gz RIZZRWQMMURZLJ-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC1=O ZINC001043789787 673658166 /nfs/dbraw/zinc/65/81/66/673658166.db2.gz RIZZRWQMMURZLJ-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)cc1=O ZINC001043791428 673658680 /nfs/dbraw/zinc/65/86/80/673658680.db2.gz KFBCQWWHBDRAIR-UHFFFAOYSA-N 1 0 336.392 -1.360 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001043791826 673658639 /nfs/dbraw/zinc/65/86/39/673658639.db2.gz NCRLBBVSQAVMKP-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043793304 673658615 /nfs/dbraw/zinc/65/86/15/673658615.db2.gz YIMVIUYJEYLNRG-CYBMUJFWSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001043793307 673658692 /nfs/dbraw/zinc/65/86/92/673658692.db2.gz YIMVIUYJEYLNRG-ZDUSSCGKSA-N 1 0 348.403 -1.360 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043794003 673658629 /nfs/dbraw/zinc/65/86/29/673658629.db2.gz AVBQFSWVSUCKKI-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043794005 673658636 /nfs/dbraw/zinc/65/86/36/673658636.db2.gz AVBQFSWVSUCKKI-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043794007 673658670 /nfs/dbraw/zinc/65/86/70/673658670.db2.gz AVBQFSWVSUCKKI-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043794010 673658603 /nfs/dbraw/zinc/65/86/03/673658603.db2.gz AVBQFSWVSUCKKI-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001043796730 673660308 /nfs/dbraw/zinc/66/03/08/673660308.db2.gz APPVTOOWKRZCAZ-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001043796734 673660280 /nfs/dbraw/zinc/66/02/80/673660280.db2.gz APPVTOOWKRZCAZ-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001043796737 673660223 /nfs/dbraw/zinc/66/02/23/673660223.db2.gz APPVTOOWKRZCAZ-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001043796739 673660235 /nfs/dbraw/zinc/66/02/35/673660235.db2.gz APPVTOOWKRZCAZ-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043797794 673660568 /nfs/dbraw/zinc/66/05/68/673660568.db2.gz JXAQDWJSDPDCRQ-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043797795 673660459 /nfs/dbraw/zinc/66/04/59/673660459.db2.gz JXAQDWJSDPDCRQ-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043798606 673660512 /nfs/dbraw/zinc/66/05/12/673660512.db2.gz TVRDYPFPGKBTCU-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043798607 673660487 /nfs/dbraw/zinc/66/04/87/673660487.db2.gz TVRDYPFPGKBTCU-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043798897 673660899 /nfs/dbraw/zinc/66/08/99/673660899.db2.gz VTGVKDHHHMRCAZ-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043798898 673660742 /nfs/dbraw/zinc/66/07/42/673660742.db2.gz VTGVKDHHHMRCAZ-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043798982 673660840 /nfs/dbraw/zinc/66/08/40/673660840.db2.gz XWBVPORXFFRHBO-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043798983 673660787 /nfs/dbraw/zinc/66/07/87/673660787.db2.gz XWBVPORXFFRHBO-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043799079 673660814 /nfs/dbraw/zinc/66/08/14/673660814.db2.gz ZLOFKKSVFKMQBW-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043799080 673660736 /nfs/dbraw/zinc/66/07/36/673660736.db2.gz ZLOFKKSVFKMQBW-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043799984 673660745 /nfs/dbraw/zinc/66/07/45/673660745.db2.gz DHCKXPCFNNWUOP-LLVKDONJSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043799988 673660869 /nfs/dbraw/zinc/66/08/69/673660869.db2.gz DHCKXPCFNNWUOP-NSHDSACASA-N 1 0 326.397 -1.718 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043800006 673660756 /nfs/dbraw/zinc/66/07/56/673660756.db2.gz DWDSDSAWYFMPIG-GFCCVEGCSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043800008 673661096 /nfs/dbraw/zinc/66/10/96/673661096.db2.gz DWDSDSAWYFMPIG-LBPRGKRZSA-N 1 0 338.408 -1.702 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043801289 673661198 /nfs/dbraw/zinc/66/11/98/673661198.db2.gz KPSSUWYZNHIHQC-GFCCVEGCSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043801291 673661497 /nfs/dbraw/zinc/66/14/97/673661497.db2.gz KPSSUWYZNHIHQC-LBPRGKRZSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043802075 673661422 /nfs/dbraw/zinc/66/14/22/673661422.db2.gz QOBFDUQXAOGDJC-GFCCVEGCSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043802076 673661468 /nfs/dbraw/zinc/66/14/68/673661468.db2.gz QOBFDUQXAOGDJC-LBPRGKRZSA-N 1 0 340.424 -1.458 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001043802440 673661817 /nfs/dbraw/zinc/66/18/17/673661817.db2.gz SYCXMMXNZCJJTL-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001043802442 673661864 /nfs/dbraw/zinc/66/18/64/673661864.db2.gz SYCXMMXNZCJJTL-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001043802443 673661829 /nfs/dbraw/zinc/66/18/29/673661829.db2.gz SYCXMMXNZCJJTL-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001043802445 673661790 /nfs/dbraw/zinc/66/17/90/673661790.db2.gz SYCXMMXNZCJJTL-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043806744 673662437 /nfs/dbraw/zinc/66/24/37/673662437.db2.gz KNAFZWVKSBHIRK-UHFFFAOYSA-N 1 0 345.363 -1.117 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1)c1cn[nH]n1 ZINC001043807808 673662447 /nfs/dbraw/zinc/66/24/47/673662447.db2.gz WHMVZEUOVZFORL-UHFFFAOYSA-N 1 0 334.380 -1.264 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043807850 673662545 /nfs/dbraw/zinc/66/25/45/673662545.db2.gz XTRYCKPTVGPFDF-UHFFFAOYSA-N 1 0 326.357 -2.314 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1)c1cn[nH]n1 ZINC001043808494 673662781 /nfs/dbraw/zinc/66/27/81/673662781.db2.gz RKLDJYUAHQQUJT-NEPJUHHUSA-N 1 0 348.407 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1)c1cn[nH]n1 ZINC001043808495 673662891 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334.380 -1.550 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001043811355 673663120 /nfs/dbraw/zinc/66/31/20/673663120.db2.gz CPUKFAUHCNUWAG-UHFFFAOYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)CC[N@@H+]1C ZINC001043811658 673663076 /nfs/dbraw/zinc/66/30/76/673663076.db2.gz ANNZZILTJXVJHR-QWRGUYRKSA-N 1 0 336.396 -1.162 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)c1cn[nH]n1 ZINC001043811713 673663607 /nfs/dbraw/zinc/66/36/07/673663607.db2.gz AXPIYKNWAHGAIQ-CYBMUJFWSA-N 1 0 348.407 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)c1cn[nH]n1 ZINC001043811716 673663516 /nfs/dbraw/zinc/66/35/16/673663516.db2.gz AXPIYKNWAHGAIQ-ZDUSSCGKSA-N 1 0 348.407 -1.018 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001043813049 673663997 /nfs/dbraw/zinc/66/39/97/673663997.db2.gz NKGALMHFJSYZTN-UHFFFAOYSA-N 1 0 336.396 -1.160 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813703 673663857 /nfs/dbraw/zinc/66/38/57/673663857.db2.gz QVKYWATXNYQKPG-GFCCVEGCSA-N 1 0 336.396 -1.019 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813705 673663952 /nfs/dbraw/zinc/66/39/52/673663952.db2.gz QVKYWATXNYQKPG-LBPRGKRZSA-N 1 0 336.396 -1.019 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813719 673663975 /nfs/dbraw/zinc/66/39/75/673663975.db2.gz RAHVERZMZHCHCL-JTQLQIEISA-N 1 0 342.375 -1.212 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813723 673663948 /nfs/dbraw/zinc/66/39/48/673663948.db2.gz RAHVERZMZHCHCL-SNVBAGLBSA-N 1 0 342.375 -1.212 20 0 EAADRO O=C(CCC[NH+]1CCCC1)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043815461 673664820 /nfs/dbraw/zinc/66/48/20/673664820.db2.gz IPIULZJVIOVUIG-UHFFFAOYSA-N 1 0 336.396 -1.016 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043815465 673664679 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673665167 /nfs/dbraw/zinc/66/51/67/673665167.db2.gz OEJCLACRJUWEOH-QWRGUYRKSA-N 1 0 336.396 -1.019 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001043816655 669042411 /nfs/dbraw/zinc/04/24/11/669042411.db2.gz PSFLFQXVHKGFPM-UHFFFAOYSA-N 1 0 340.424 -1.360 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)c1cn[nH]n1 ZINC001043816997 673665749 /nfs/dbraw/zinc/66/57/49/673665749.db2.gz TVNMFJRKDIYTQF-UHFFFAOYSA-N 1 0 348.407 -1.016 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043817259 673665693 /nfs/dbraw/zinc/66/56/93/673665693.db2.gz XLIAQVQZNJCAIH-GFCCVEGCSA-N 1 0 336.396 -1.018 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043817261 673665708 /nfs/dbraw/zinc/66/57/08/673665708.db2.gz XLIAQVQZNJCAIH-LBPRGKRZSA-N 1 0 336.396 -1.018 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)CC[N@@H+]1C ZINC001043817265 673665756 /nfs/dbraw/zinc/66/57/56/673665756.db2.gz XPFFMZJMVDNLCO-CMPLNLGQSA-N 1 0 336.396 -1.162 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)ccc1=O ZINC001043817794 673665985 /nfs/dbraw/zinc/66/59/85/673665985.db2.gz FWHXWHLHGARASM-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001043818257 673666006 /nfs/dbraw/zinc/66/60/06/673666006.db2.gz JIVIMWHKOCGFEF-CYBMUJFWSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1=O ZINC001043818260 673665998 /nfs/dbraw/zinc/66/59/98/673665998.db2.gz JIVIMWHKOCGFEF-ZDUSSCGKSA-N 1 0 348.403 -1.360 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CN2CCCNC2=O)C1 ZINC001043819686 673666015 /nfs/dbraw/zinc/66/60/15/673666015.db2.gz AVVJDVOSRZVTCN-UHFFFAOYSA-N 1 0 341.412 -1.957 20 0 EAADRO Cc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043828029 673667816 /nfs/dbraw/zinc/66/78/16/673667816.db2.gz YLHZTGIDSNVLPM-UHFFFAOYSA-N 1 0 339.396 -1.401 20 0 EAADRO C[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)N1CCOCC1 ZINC001043828208 673667885 /nfs/dbraw/zinc/66/78/85/673667885.db2.gz KOTMZXJGSGUVIA-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 ZINC001043830062 673669089 /nfs/dbraw/zinc/66/90/89/673669089.db2.gz PBOKQQSPEOWZBC-SECBINFHSA-N 1 0 349.347 -2.306 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 ZINC001043830066 673669142 /nfs/dbraw/zinc/66/91/42/673669142.db2.gz PBOKQQSPEOWZBC-VIFPVBQESA-N 1 0 349.347 -2.306 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001043830379 673669154 /nfs/dbraw/zinc/66/91/54/673669154.db2.gz QRBPIDRSBGHUHI-JTQLQIEISA-N 1 0 349.347 -2.375 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001043830381 673669106 /nfs/dbraw/zinc/66/91/06/673669106.db2.gz QRBPIDRSBGHUHI-SNVBAGLBSA-N 1 0 349.347 -2.375 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001043830880 673669429 /nfs/dbraw/zinc/66/94/29/673669429.db2.gz SWYRLCQGILXLMY-JTQLQIEISA-N 1 0 340.380 -2.320 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001043830883 673669385 /nfs/dbraw/zinc/66/93/85/673669385.db2.gz SWYRLCQGILXLMY-SNVBAGLBSA-N 1 0 340.380 -2.320 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001043832517 673669468 /nfs/dbraw/zinc/66/94/68/673669468.db2.gz OQHWBUSJPUIOMN-UHFFFAOYSA-N 1 0 349.391 -1.565 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043836978 673669879 /nfs/dbraw/zinc/66/98/79/673669879.db2.gz KUIQRAMFDMSAJA-UHFFFAOYSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043840904 673670143 /nfs/dbraw/zinc/67/01/43/673670143.db2.gz FHXPPMYSGYAMJT-GFCCVEGCSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043840907 673670101 /nfs/dbraw/zinc/67/01/01/673670101.db2.gz FHXPPMYSGYAMJT-LBPRGKRZSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043840909 673670309 /nfs/dbraw/zinc/67/03/09/673670309.db2.gz FHYQAVDIRKPCIZ-NEPJUHHUSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043840912 673670345 /nfs/dbraw/zinc/67/03/45/673670345.db2.gz FHYQAVDIRKPCIZ-NWDGAFQWSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043840914 673670357 /nfs/dbraw/zinc/67/03/57/673670357.db2.gz FHYQAVDIRKPCIZ-RYUDHWBXSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001043840917 673670315 /nfs/dbraw/zinc/67/03/15/673670315.db2.gz FHYQAVDIRKPCIZ-VXGBXAGGSA-N 1 0 340.424 -1.315 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC001043841012 673670367 /nfs/dbraw/zinc/67/03/67/673670367.db2.gz GDQSYCIAHHIILB-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC001043841016 673670093 /nfs/dbraw/zinc/67/00/93/673670093.db2.gz GDQSYCIAHHIILB-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC001043841019 673670078 /nfs/dbraw/zinc/67/00/78/673670078.db2.gz GDQSYCIAHHIILB-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC001043841022 673670133 /nfs/dbraw/zinc/67/01/33/673670133.db2.gz GDQSYCIAHHIILB-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043841848 673670580 /nfs/dbraw/zinc/67/05/80/673670580.db2.gz MSQJQEPKKKCZGB-NWDGAFQWSA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043842004 673670541 /nfs/dbraw/zinc/67/05/41/673670541.db2.gz MSQJQEPKKKCZGB-VXGBXAGGSA-N 1 0 338.408 -1.561 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001043842173 673670958 /nfs/dbraw/zinc/67/09/58/673670958.db2.gz ZOIGVFXHCFBKRC-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043842555 673670887 /nfs/dbraw/zinc/67/08/87/673670887.db2.gz SJLNXZKSPURZRM-GFCCVEGCSA-N 1 0 338.408 -1.560 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043842560 673670907 /nfs/dbraw/zinc/67/09/07/673670907.db2.gz SJLNXZKSPURZRM-LBPRGKRZSA-N 1 0 338.408 -1.560 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043842568 673670827 /nfs/dbraw/zinc/67/08/27/673670827.db2.gz SSOPEZADBLWIRR-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043842572 673670862 /nfs/dbraw/zinc/67/08/62/673670862.db2.gz SSOPEZADBLWIRR-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043842825 673670768 /nfs/dbraw/zinc/67/07/68/673670768.db2.gz UONYPYQKXJVECB-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043842826 673670815 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CNC(=O)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001043845624 673672103 /nfs/dbraw/zinc/67/21/03/673672103.db2.gz KXACAPGBEYGKPJ-NSHDSACASA-N 1 0 338.408 -1.704 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001043845986 673672384 /nfs/dbraw/zinc/67/23/84/673672384.db2.gz NHKKEYXWSVOMDL-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001043846051 673672403 /nfs/dbraw/zinc/67/24/03/673672403.db2.gz OADXASUCKKHQFG-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043846334 673672461 /nfs/dbraw/zinc/67/24/61/673672461.db2.gz MSQJQEPKKKCZGB-NEPJUHHUSA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043846337 673672351 /nfs/dbraw/zinc/67/23/51/673672351.db2.gz MSQJQEPKKKCZGB-RYUDHWBXSA-N 1 0 338.408 -1.561 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1)[NH+](C)C ZINC001043846574 673672548 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EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001043848407 673673566 /nfs/dbraw/zinc/67/35/66/673673566.db2.gz ZQOURNQPFYWGCI-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001043848408 673673575 /nfs/dbraw/zinc/67/35/75/673673575.db2.gz ZQOURNQPFYWGCI-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)C1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001043849499 673674136 /nfs/dbraw/zinc/67/41/36/673674136.db2.gz FGKSFECMIHKCRY-UHFFFAOYSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001043850981 673674409 /nfs/dbraw/zinc/67/44/09/673674409.db2.gz NFPFXHUZIWVMHT-LLVKDONJSA-N 1 0 347.437 -1.938 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001043850984 673674545 /nfs/dbraw/zinc/67/45/45/673674545.db2.gz NFPFXHUZIWVMHT-NSHDSACASA-N 1 0 347.437 -1.938 20 0 EAADRO CNC(=O)C1(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001043851763 673674805 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ZINC001043927930 673687915 /nfs/dbraw/zinc/68/79/15/673687915.db2.gz VLWQLIVIXPJQOV-ZDUSSCGKSA-N 1 0 348.403 -1.029 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043944204 673690229 /nfs/dbraw/zinc/69/02/29/673690229.db2.gz KQMPKYWYFDZGGM-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043944206 673690211 /nfs/dbraw/zinc/69/02/11/673690211.db2.gz KQMPKYWYFDZGGM-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043944218 673690190 /nfs/dbraw/zinc/69/01/90/673690190.db2.gz KSOFYMGGCDAHEH-ABAIWWIYSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043944220 673690151 /nfs/dbraw/zinc/69/01/51/673690151.db2.gz KSOFYMGGCDAHEH-IAQYHMDHSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043944221 673690234 /nfs/dbraw/zinc/69/02/34/673690234.db2.gz KSOFYMGGCDAHEH-NHYWBVRUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043944223 673690259 /nfs/dbraw/zinc/69/02/59/673690259.db2.gz KSOFYMGGCDAHEH-XHDPSFHLSA-N 1 0 338.408 -1.704 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001043946062 673691131 /nfs/dbraw/zinc/69/11/31/673691131.db2.gz USHYGGADFUXORV-ABAIWWIYSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001043946063 673691060 /nfs/dbraw/zinc/69/10/60/673691060.db2.gz USHYGGADFUXORV-IAQYHMDHSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001043946064 673691075 /nfs/dbraw/zinc/69/10/75/673691075.db2.gz USHYGGADFUXORV-NHYWBVRUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001043946066 673691162 /nfs/dbraw/zinc/69/11/62/673691162.db2.gz USHYGGADFUXORV-XHDPSFHLSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043946104 673691093 /nfs/dbraw/zinc/69/10/93/673691093.db2.gz VIHOPPJXPZSTQS-HNNXBMFYSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043946106 673691066 /nfs/dbraw/zinc/69/10/66/673691066.db2.gz VIHOPPJXPZSTQS-OAHLLOKOSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043946611 673691362 /nfs/dbraw/zinc/69/13/62/673691362.db2.gz XFYNSXBLSGRQCV-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043946615 673691391 /nfs/dbraw/zinc/69/13/91/673691391.db2.gz XFYNSXBLSGRQCV-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043946639 673691474 /nfs/dbraw/zinc/69/14/74/673691474.db2.gz XNBPUPQWHJKEDX-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043946642 673691549 /nfs/dbraw/zinc/69/15/49/673691549.db2.gz XNBPUPQWHJKEDX-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043947091 673691412 /nfs/dbraw/zinc/69/14/12/673691412.db2.gz YQZSNORNLZGCKY-AWEZNQCLSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043947094 673691413 /nfs/dbraw/zinc/69/14/13/673691413.db2.gz YQZSNORNLZGCKY-CQSZACIVSA-N 1 0 326.397 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC001043950565 673692160 /nfs/dbraw/zinc/69/21/60/673692160.db2.gz RANPTWUZDZCTIE-ABAIWWIYSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC001043950567 673692027 /nfs/dbraw/zinc/69/20/27/673692027.db2.gz RANPTWUZDZCTIE-IAQYHMDHSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC001043950569 673692023 /nfs/dbraw/zinc/69/20/23/673692023.db2.gz RANPTWUZDZCTIE-NHYWBVRUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC001043950574 673691980 /nfs/dbraw/zinc/69/19/80/673691980.db2.gz RANPTWUZDZCTIE-XHDPSFHLSA-N 1 0 338.408 -1.846 20 0 EAADRO C[C@@]1(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CNC(=O)C1 ZINC001043952598 673692386 /nfs/dbraw/zinc/69/23/86/673692386.db2.gz XWMAPFPFTMXKEZ-HNNXBMFYSA-N 1 0 338.408 -1.702 20 0 EAADRO C[C@]1(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CNC(=O)C1 ZINC001043952599 673692361 /nfs/dbraw/zinc/69/23/61/673692361.db2.gz XWMAPFPFTMXKEZ-OAHLLOKOSA-N 1 0 338.408 -1.702 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)COCC(F)F)C2)C1 ZINC001043961130 673693403 /nfs/dbraw/zinc/69/34/03/673693403.db2.gz MLIQCHMXOXDEIX-JTQLQIEISA-N 1 0 335.351 -1.091 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)COCC(F)F)C2)C1 ZINC001043961131 673693350 /nfs/dbraw/zinc/69/33/50/673693350.db2.gz MLIQCHMXOXDEIX-SNVBAGLBSA-N 1 0 335.351 -1.091 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001043965058 673694466 /nfs/dbraw/zinc/69/44/66/673694466.db2.gz AABCLRBTTXDXNV-AXFHLTTASA-N 1 0 346.395 -1.624 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001043965062 673694340 /nfs/dbraw/zinc/69/43/40/673694340.db2.gz AABCLRBTTXDXNV-MXWKQRLJSA-N 1 0 346.395 -1.624 20 0 EAADRO COC(=O)c1nccc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001043965133 673694274 /nfs/dbraw/zinc/69/42/74/673694274.db2.gz BPMSEXRBUHPQRH-TUAOUCFPSA-N 1 0 349.391 -1.119 20 0 EAADRO COC(=O)c1nccc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001043965134 673694310 /nfs/dbraw/zinc/69/43/10/673694310.db2.gz BPMSEXRBUHPQRH-UTUOFQBUSA-N 1 0 349.391 -1.119 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2O)C1 ZINC001043965199 673694254 /nfs/dbraw/zinc/69/42/54/673694254.db2.gz CSIWRVNQKVJUNW-AXFHLTTASA-N 1 0 332.368 -1.863 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2O)C1 ZINC001043965202 673694492 /nfs/dbraw/zinc/69/44/92/673694492.db2.gz CSIWRVNQKVJUNW-MXWKQRLJSA-N 1 0 332.368 -1.863 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3ncnc4nc[nH]c43)C[C@@H]2O)C1 ZINC001043965597 673694316 /nfs/dbraw/zinc/69/43/16/673694316.db2.gz HZUAONWDRKFOOE-AXFHLTTASA-N 1 0 331.380 -1.030 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3ncnc4nc[nH]c43)C[C@@H]2O)C1 ZINC001043965598 673694398 /nfs/dbraw/zinc/69/43/98/673694398.db2.gz HZUAONWDRKFOOE-MXWKQRLJSA-N 1 0 331.380 -1.030 20 0 EAADRO Cn1cnc2c1ncnc2N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001043965956 673694488 /nfs/dbraw/zinc/69/44/88/673694488.db2.gz LAYWJLKLFWFGNX-TUAOUCFPSA-N 1 0 345.407 -1.019 20 0 EAADRO Cn1cnc2c1ncnc2N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001043965962 673694301 /nfs/dbraw/zinc/69/43/01/673694301.db2.gz LAYWJLKLFWFGNX-UTUOFQBUSA-N 1 0 345.407 -1.019 20 0 EAADRO Cn1ncc2c1ncnc2N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001043965966 673694377 /nfs/dbraw/zinc/69/43/77/673694377.db2.gz LFKGVFNXCFICLQ-RTXFEEFZSA-N 1 0 345.407 -1.019 20 0 EAADRO Cn1ncc2c1ncnc2N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001043965969 673694408 /nfs/dbraw/zinc/69/44/08/673694408.db2.gz LFKGVFNXCFICLQ-UHTWSYAYSA-N 1 0 345.407 -1.019 20 0 EAADRO C[NH+](C)CCc1ccccc1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043966213 673694247 /nfs/dbraw/zinc/69/42/47/673694247.db2.gz ISLGUKCEYXAYLG-UHFFFAOYSA-N 1 0 348.403 -1.421 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2cn[nH]n2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001043966252 673694482 /nfs/dbraw/zinc/69/44/82/673694482.db2.gz JUCVTJXEGQHVJJ-CYBMUJFWSA-N 1 0 348.407 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)c2cn[nH]n2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001043966254 673694262 /nfs/dbraw/zinc/69/42/62/673694262.db2.gz JUCVTJXEGQHVJJ-ZDUSSCGKSA-N 1 0 348.407 -1.018 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2O)C1 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EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)C1 ZINC001044000995 673698098 /nfs/dbraw/zinc/69/80/98/673698098.db2.gz LUEDNSDDLZHWKL-SNVBAGLBSA-N 1 0 327.385 -2.314 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 ZINC001044000999 673697989 /nfs/dbraw/zinc/69/79/89/673697989.db2.gz LVZFJJGOSMRGDA-UHFFFAOYSA-N 1 0 337.380 -1.642 20 0 EAADRO CCCOCC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001006 673698035 /nfs/dbraw/zinc/69/80/35/673698035.db2.gz LYSHMJVULFJDJR-UHFFFAOYSA-N 1 0 331.413 -1.319 20 0 EAADRO Cc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001007 673698022 /nfs/dbraw/zinc/69/80/22/673698022.db2.gz LZJJMUZGUXPWBT-UHFFFAOYSA-N 1 0 339.396 -1.401 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001044001009 673698039 /nfs/dbraw/zinc/69/80/39/673698039.db2.gz LZZJORSGACUTED-LRDDRELGSA-N 1 0 341.408 -1.709 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001044001022 673698112 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ZINC001044001669 673698493 /nfs/dbraw/zinc/69/84/93/673698493.db2.gz RIORPYOJUJBLIC-UHFFFAOYSA-N 1 0 340.380 -1.515 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 ZINC001044001679 673698434 /nfs/dbraw/zinc/69/84/34/673698434.db2.gz RNCJCLSYIIYCHJ-UHFFFAOYSA-N 1 0 343.424 -1.441 20 0 EAADRO CO[C@H](C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001044001685 673698393 /nfs/dbraw/zinc/69/83/93/673698393.db2.gz RRLBZANPKXVXHA-AWEZNQCLSA-N 1 0 343.424 -1.321 20 0 EAADRO CO[C@@H](C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001044001686 673698442 /nfs/dbraw/zinc/69/84/42/673698442.db2.gz RRLBZANPKXVXHA-CQSZACIVSA-N 1 0 343.424 -1.321 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)cn1 ZINC001044001690 673698349 /nfs/dbraw/zinc/69/83/49/673698349.db2.gz RRTZJSIDQCXEBF-UHFFFAOYSA-N 1 0 339.396 -1.699 20 0 EAADRO Cc1nocc1C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001704 669066448 /nfs/dbraw/zinc/06/64/48/669066448.db2.gz SBAUJHVPFDYVEC-UHFFFAOYSA-N 1 0 340.380 -1.136 20 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/nfs/dbraw/zinc/69/84/58/673698458.db2.gz TYBQTXSVWJXARC-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001044001811 673698500 /nfs/dbraw/zinc/69/85/00/673698500.db2.gz UBQAGKMOQGFSDG-UHFFFAOYSA-N 1 0 339.396 -1.780 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001044001823 673698264 /nfs/dbraw/zinc/69/82/64/673698264.db2.gz UEVSNBWARCFNJW-CYBMUJFWSA-N 1 0 348.403 -1.035 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC001044001846 673698319 /nfs/dbraw/zinc/69/83/19/673698319.db2.gz UEVSNBWARCFNJW-ZDUSSCGKSA-N 1 0 348.403 -1.035 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCO2)C1 ZINC001044001867 673698358 /nfs/dbraw/zinc/69/83/58/673698358.db2.gz UVTZVKHSNPUPQC-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCO2)C1 ZINC001044001870 673698326 /nfs/dbraw/zinc/69/83/26/673698326.db2.gz UVTZVKHSNPUPQC-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001872 673698314 /nfs/dbraw/zinc/69/83/14/673698314.db2.gz VAEDGJNORQBFKM-OCCSQVGLSA-N 1 0 343.424 -1.321 20 0 EAADRO Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)n1 ZINC001044001874 673698300 /nfs/dbraw/zinc/69/83/00/673698300.db2.gz VAZSOVGXIBZEFI-UHFFFAOYSA-N 1 0 339.396 -1.401 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001884 673698267 /nfs/dbraw/zinc/69/82/67/673698267.db2.gz VFJWZCKNFVVVAW-UHFFFAOYSA-N 1 0 340.384 -2.006 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)CO1 ZINC001044001885 673698446 /nfs/dbraw/zinc/69/84/46/673698446.db2.gz VGCTZYYQNCLYSX-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)CO1 ZINC001044001887 673698298 /nfs/dbraw/zinc/69/82/98/673698298.db2.gz VGCTZYYQNCLYSX-OLZOCXBDSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)CO1 ZINC001044001889 673698271 /nfs/dbraw/zinc/69/82/71/673698271.db2.gz VGCTZYYQNCLYSX-QWHCGFSZSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)CO1 ZINC001044001891 673698585 /nfs/dbraw/zinc/69/85/85/673698585.db2.gz VGCTZYYQNCLYSX-STQMWFEESA-N 1 0 343.424 -1.321 20 0 EAADRO Cc1nc(C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)c[nH]1 ZINC001044001920 673698724 /nfs/dbraw/zinc/69/87/24/673698724.db2.gz VNJIHBYSPWMVTD-UHFFFAOYSA-N 1 0 339.396 -1.401 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001044001930 673698626 /nfs/dbraw/zinc/69/86/26/673698626.db2.gz VPGNFRIZKCMYHB-UHFFFAOYSA-N 1 0 337.380 -1.642 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001932 673698652 /nfs/dbraw/zinc/69/86/52/673698652.db2.gz VPQYBEDDRKGRFH-UHFFFAOYSA-N 1 0 345.400 -2.817 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001044001936 673698668 /nfs/dbraw/zinc/69/86/68/673698668.db2.gz VQBZCMJBZACCTL-JTQLQIEISA-N 1 0 335.351 -1.091 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 ZINC001044001937 673698638 /nfs/dbraw/zinc/69/86/38/673698638.db2.gz VQBZCMJBZACCTL-SNVBAGLBSA-N 1 0 335.351 -1.091 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044001939 673698612 /nfs/dbraw/zinc/69/86/12/673698612.db2.gz VQQCIDPQMUYQED-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044001940 673698633 /nfs/dbraw/zinc/69/86/33/673698633.db2.gz VQQCIDPQMUYQED-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO Cc1nonc1C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001954 669066458 /nfs/dbraw/zinc/06/64/58/669066458.db2.gz VSVLBSWASDPHBL-UHFFFAOYSA-N 1 0 341.368 -1.741 20 0 EAADRO COCC[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001977 669067081 /nfs/dbraw/zinc/06/70/81/669067081.db2.gz WBHDHFYTQVUGLN-CYBMUJFWSA-N 1 0 345.440 -1.073 20 0 EAADRO COCC[C@H](C)C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001979 669066760 /nfs/dbraw/zinc/06/67/60/669066760.db2.gz WBHDHFYTQVUGLN-ZDUSSCGKSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001044002008 673698574 /nfs/dbraw/zinc/69/85/74/673698574.db2.gz WNKPVDRDKIDLQT-UHFFFAOYSA-N 1 0 340.384 -2.385 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002010 673698763 /nfs/dbraw/zinc/69/87/63/673698763.db2.gz WPPXTNXYTYLHKN-CYBMUJFWSA-N 1 0 331.413 -1.729 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)O1 ZINC001044002013 673698660 /nfs/dbraw/zinc/69/86/60/673698660.db2.gz WQQPISLFASDJMJ-CHWSQXEVSA-N 1 0 343.424 -1.178 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)n1 ZINC001044002014 673698647 /nfs/dbraw/zinc/69/86/47/673698647.db2.gz WQZMLVLOCAVRRT-UHFFFAOYSA-N 1 0 340.384 -2.304 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 ZINC001044002023 673698621 /nfs/dbraw/zinc/69/86/21/673698621.db2.gz WXHWJUUQIPMHDU-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 ZINC001044002024 673698754 /nfs/dbraw/zinc/69/87/54/673698754.db2.gz WXHWJUUQIPMHDU-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001044002086 673698643 /nfs/dbraw/zinc/69/86/43/673698643.db2.gz XKOHSKVOYDOXOW-LLVKDONJSA-N 1 0 342.396 -2.610 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001044002087 673698607 /nfs/dbraw/zinc/69/86/07/673698607.db2.gz XKOHSKVOYDOXOW-NSHDSACASA-N 1 0 342.396 -2.610 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044002097 673698702 /nfs/dbraw/zinc/69/87/02/673698702.db2.gz XMMWJDKKECMRAP-GFCCVEGCSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044002098 673698654 /nfs/dbraw/zinc/69/86/54/673698654.db2.gz XMMWJDKKECMRAP-LBPRGKRZSA-N 1 0 326.397 -1.846 20 0 EAADRO Cc1cnoc1C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002116 673698711 /nfs/dbraw/zinc/69/87/11/673698711.db2.gz YAZUSWBPLGCYDI-UHFFFAOYSA-N 1 0 340.380 -1.136 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001044002126 673698630 /nfs/dbraw/zinc/69/86/30/673698630.db2.gz YICNZHHUXYRZGS-UHFFFAOYSA-N 1 0 325.369 -1.709 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002129 673698731 /nfs/dbraw/zinc/69/87/31/673698731.db2.gz YIZMWTLVJVEGRA-UHFFFAOYSA-N 1 0 347.412 -2.083 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002131 673698751 /nfs/dbraw/zinc/69/87/51/673698751.db2.gz YLCKWWMVDKICJU-GFCCVEGCSA-N 1 0 347.412 -2.085 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002133 673698760 /nfs/dbraw/zinc/69/87/60/673698760.db2.gz YLCKWWMVDKICJU-LBPRGKRZSA-N 1 0 347.412 -2.085 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 ZINC001044002138 673698766 /nfs/dbraw/zinc/69/87/66/673698766.db2.gz YNYRJDCKJRIFSU-UHFFFAOYSA-N 1 0 331.413 -1.585 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002151 673698624 /nfs/dbraw/zinc/69/86/24/673698624.db2.gz YRGHLHBNAMKBSO-UHFFFAOYSA-N 1 0 344.412 -2.268 20 0 EAADRO Cc1cc(C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)on1 ZINC001044002157 673698605 /nfs/dbraw/zinc/69/86/05/673698605.db2.gz YVWDTOFMNXGVHV-UHFFFAOYSA-N 1 0 340.380 -1.136 20 0 EAADRO Cn1nncc1C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002168 673698720 /nfs/dbraw/zinc/69/87/20/673698720.db2.gz YXWGVXWEHKCHQC-UHFFFAOYSA-N 1 0 340.384 -2.304 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 ZINC001044002170 673698736 /nfs/dbraw/zinc/69/87/36/673698736.db2.gz ZAAAXWKWGYDSGX-UHFFFAOYSA-N 1 0 337.380 -1.642 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 ZINC001044002187 673698670 /nfs/dbraw/zinc/69/86/70/673698670.db2.gz ZHHMWNMYZHJKGM-UHFFFAOYSA-N 1 0 338.408 -1.175 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001044002194 673698715 /nfs/dbraw/zinc/69/87/15/673698715.db2.gz ZPNMXPKOVPXHRH-UHFFFAOYSA-N 1 0 344.412 -2.234 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001044002197 673698678 /nfs/dbraw/zinc/69/86/78/673698678.db2.gz ZQHKVCPJALMGOK-UHFFFAOYSA-N 1 0 345.400 -2.688 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002202 673698690 /nfs/dbraw/zinc/69/86/90/673698690.db2.gz ZQKHTOGZUGYTIH-LLVKDONJSA-N 1 0 344.412 -2.221 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002204 673698583 /nfs/dbraw/zinc/69/85/83/673698583.db2.gz ZQKHTOGZUGYTIH-NSHDSACASA-N 1 0 344.412 -2.221 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001044002221 673698749 /nfs/dbraw/zinc/69/87/49/673698749.db2.gz ZZKAHWKYDQSSGR-UHFFFAOYSA-N 1 0 344.412 -2.090 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001044007060 673698916 /nfs/dbraw/zinc/69/89/16/673698916.db2.gz CUXVNEFITWDXLQ-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001044007061 673699184 /nfs/dbraw/zinc/69/91/84/673699184.db2.gz CUXVNEFITWDXLQ-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001044007163 673699079 /nfs/dbraw/zinc/69/90/79/673699079.db2.gz GNBZFMSCBRPDRL-JTQLQIEISA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001044007164 673699178 /nfs/dbraw/zinc/69/91/78/673699178.db2.gz GNBZFMSCBRPDRL-SNVBAGLBSA-N 1 0 337.384 -2.145 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001044007237 673699006 /nfs/dbraw/zinc/69/90/06/673699006.db2.gz IZHBDXSUMAOWIV-CXTNEJHOSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001044007238 673698908 /nfs/dbraw/zinc/69/89/08/673698908.db2.gz IZHBDXSUMAOWIV-RMRHIDDWSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)C1 ZINC001044007244 673699158 /nfs/dbraw/zinc/69/91/58/673699158.db2.gz JEMGQZQLRQYSGJ-CYBMUJFWSA-N 1 0 335.408 -1.086 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)C1 ZINC001044007245 673699012 /nfs/dbraw/zinc/69/90/12/673699012.db2.gz JEMGQZQLRQYSGJ-ZDUSSCGKSA-N 1 0 335.408 -1.086 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044007411 673699172 /nfs/dbraw/zinc/69/91/72/673699172.db2.gz OGSRLEGGZADIGU-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044007412 673699122 /nfs/dbraw/zinc/69/91/22/673699122.db2.gz OGSRLEGGZADIGU-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3nccnc3N)C2)C1 ZINC001044007467 673699556 /nfs/dbraw/zinc/69/95/56/673699556.db2.gz QATMGVAQVDVKMB-LLVKDONJSA-N 1 0 348.407 -1.296 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3nccnc3N)C2)C1 ZINC001044007468 673699509 /nfs/dbraw/zinc/69/95/09/673699509.db2.gz 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340.380 -1.874 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001044011815 673700587 /nfs/dbraw/zinc/70/05/87/673700587.db2.gz VKRMZVMFTWXSPZ-MNOVXSKESA-N 1 0 340.380 -1.874 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001044011816 673700465 /nfs/dbraw/zinc/70/04/65/673700465.db2.gz VKRMZVMFTWXSPZ-QWRGUYRKSA-N 1 0 340.380 -1.874 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001044011818 673700350 /nfs/dbraw/zinc/70/03/50/673700350.db2.gz VKRMZVMFTWXSPZ-WDEREUQCSA-N 1 0 340.380 -1.874 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001044011846 673700600 /nfs/dbraw/zinc/70/06/00/673700600.db2.gz WNOZJBKSJUBVSQ-LLVKDONJSA-N 1 0 336.396 -1.622 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001044011847 673700364 /nfs/dbraw/zinc/70/03/64/673700364.db2.gz WNOZJBKSJUBVSQ-NSHDSACASA-N 1 0 336.396 -1.622 20 0 EAADRO 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CYZOJUZFUOKDAE-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnn(CC)n2)C1)[NH+](C)C ZINC001044041187 673703688 /nfs/dbraw/zinc/70/36/88/673703688.db2.gz DQMIFQQUXKXSIA-LBPRGKRZSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1)[NH+](C)C ZINC001044041197 673703719 /nfs/dbraw/zinc/70/37/19/673703719.db2.gz DVFIGQVEQCZIJL-NSHDSACASA-N 1 0 337.380 -1.587 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1)[NH+](C)C ZINC001044041221 673703669 /nfs/dbraw/zinc/70/36/69/673703669.db2.gz FGEUYAAYYKLXEK-LBPRGKRZSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCN2C)C1)[NH+](C)C ZINC001044041231 673703514 /nfs/dbraw/zinc/70/35/14/673703514.db2.gz FGZZZPHBRJTDTE-QWHCGFSZSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCN2C)C1)[NH+](C)C ZINC001044041232 673703649 /nfs/dbraw/zinc/70/36/49/673703649.db2.gz FGZZZPHBRJTDTE-STQMWFEESA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCCC(=O)NC)C1)[NH+](C)C ZINC001044041233 673703565 /nfs/dbraw/zinc/70/35/65/673703565.db2.gz FHRPBVHICSTXRA-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC001044041235 673703731 /nfs/dbraw/zinc/70/37/31/673703731.db2.gz FOCCAPCXSJCSCD-NSHDSACASA-N 1 0 338.412 -1.315 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001044041247 673703698 /nfs/dbraw/zinc/70/36/98/673703698.db2.gz FTDSBDYSIVTCJM-JTQLQIEISA-N 1 0 325.373 -2.297 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1)[NH+](C)C ZINC001044041265 673703724 /nfs/dbraw/zinc/70/37/24/673703724.db2.gz GARWYWUQELVLQG-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CN2CCOCC2)C1)[NH+](C)C ZINC001044041267 673703624 /nfs/dbraw/zinc/70/36/24/673703624.db2.gz GBFZCDISSPFYAE-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2cncn2C)C1)[NH+](C)C ZINC001044041276 673703634 /nfs/dbraw/zinc/70/36/34/673703634.db2.gz GIXKGUIGOJIPOX-ZDUSSCGKSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1)[NH+](C)C ZINC001044041286 673703506 /nfs/dbraw/zinc/70/35/06/673703506.db2.gz GNFMYEMUMKMJHR-NSHDSACASA-N 1 0 327.381 -1.096 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1)[NH+](C)C ZINC001044041308 673703613 /nfs/dbraw/zinc/70/36/13/673703613.db2.gz GRLSHVJSDNBBOO-ZDUSSCGKSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044041312 673703550 /nfs/dbraw/zinc/70/35/50/673703550.db2.gz GUIUKQRLFAAENS-MNOVXSKESA-N 1 0 326.397 -1.705 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044041315 673703577 /nfs/dbraw/zinc/70/35/77/673703577.db2.gz GUIUKQRLFAAENS-QWRGUYRKSA-N 1 0 326.397 -1.705 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1)[NH+](C)C ZINC001044041340 673703489 /nfs/dbraw/zinc/70/34/89/673703489.db2.gz HSGKAODRKMSEKD-LBPRGKRZSA-N 1 0 338.412 -1.302 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1)[NH+](C)C ZINC001044041342 673703555 /nfs/dbraw/zinc/70/35/55/673703555.db2.gz HSVMVNHKMULUEM-JTQLQIEISA-N 1 0 336.396 -1.298 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001044041351 673703605 /nfs/dbraw/zinc/70/36/05/673703605.db2.gz HXLKMSQPZQTQSR-UWVGGRQHSA-N 1 0 329.401 -1.927 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1)[NH+](C)C ZINC001044041370 673703741 /nfs/dbraw/zinc/70/37/41/673703741.db2.gz IFCHSQNEEDOPJO-LBPRGKRZSA-N 1 0 339.396 -1.050 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2CS(=O)(=O)C2)C1)[NH+](C)C ZINC001044041401 673703544 /nfs/dbraw/zinc/70/35/44/673703544.db2.gz IYKJFYUMXBDLMT-NSHDSACASA-N 1 0 347.437 -1.939 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001044041435 673703535 /nfs/dbraw/zinc/70/35/35/673703535.db2.gz JQSYCFGYWHWJLP-QWHCGFSZSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001044041437 673703709 /nfs/dbraw/zinc/70/37/09/673703709.db2.gz JQSYCFGYWHWJLP-STQMWFEESA-N 1 0 342.440 -1.653 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044041456 673703498 /nfs/dbraw/zinc/70/34/98/673703498.db2.gz JYNZBJHGIXZWCA-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001044041465 673703971 /nfs/dbraw/zinc/70/39/71/673703971.db2.gz KHGNECUXZHLPJN-JTQLQIEISA-N 1 0 325.373 -2.297 20 0 EAADRO CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044041467 673703905 /nfs/dbraw/zinc/70/39/05/673703905.db2.gz KJRZWGMIGSKFEL-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCc2nnc[nH]2)C1)[NH+](C)C ZINC001044041512 673704129 /nfs/dbraw/zinc/70/41/29/673704129.db2.gz LFZGZDSPFGTZIK-NSHDSACASA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1)[NH+](C)C ZINC001044041519 673704140 /nfs/dbraw/zinc/70/41/40/673704140.db2.gz LJNFUVGCJOTRGM-LBPRGKRZSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001044041521 673703968 /nfs/dbraw/zinc/70/39/68/673703968.db2.gz LKVLAXYKNHELLL-LBPRGKRZSA-N 1 0 328.413 -1.506 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1)[NH+](C)C ZINC001044041523 673704112 /nfs/dbraw/zinc/70/41/12/673704112.db2.gz LMGOMZWNYLLZRL-NSHDSACASA-N 1 0 338.412 -1.354 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1)[NH+](C)C ZINC001044041734 673704170 /nfs/dbraw/zinc/70/41/70/673704170.db2.gz OPWXCXXWKWTJKY-OLZOCXBDSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1)[NH+](C)C ZINC001044041736 673703950 /nfs/dbraw/zinc/70/39/50/673703950.db2.gz OPWXCXXWKWTJKY-STQMWFEESA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1)[NH+](C)C ZINC001044041738 673704123 /nfs/dbraw/zinc/70/41/23/673704123.db2.gz ORNSOPBHNVBLGC-NSHDSACASA-N 1 0 337.380 -1.175 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1)[NH+](C)C ZINC001044041746 673703875 /nfs/dbraw/zinc/70/38/75/673703875.db2.gz OZKRHQGPGTXWKY-ZDUSSCGKSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cn(CC)nn2)C1)[NH+](C)C ZINC001044041763 673703961 /nfs/dbraw/zinc/70/39/61/673703961.db2.gz PIXRKLWHFKKBGI-LBPRGKRZSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1)[NH+](C)C ZINC001044041768 673704105 /nfs/dbraw/zinc/70/41/05/673704105.db2.gz PMNSUHMVZNLXBC-LBPRGKRZSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1)[NH+](C)C ZINC001044041825 673703887 /nfs/dbraw/zinc/70/38/87/673703887.db2.gz PYDIHTURAWLJDF-ZDUSSCGKSA-N 1 0 336.392 -1.037 20 0 EAADRO CCNC(=O)CCC(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044041829 673703924 /nfs/dbraw/zinc/70/39/24/673703924.db2.gz QCDCWBIBRUHKBK-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044041838 673703940 /nfs/dbraw/zinc/70/39/40/673703940.db2.gz QGLDJHACYRYAER-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044041839 673704016 /nfs/dbraw/zinc/70/40/16/673704016.db2.gz QJBQSHOPCUCAMF-NEPJUHHUSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044041840 673703929 /nfs/dbraw/zinc/70/39/29/673703929.db2.gz QJBQSHOPCUCAMF-RYUDHWBXSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCn2cnnn2)C1)[NH+](C)C ZINC001044041872 673703915 /nfs/dbraw/zinc/70/39/15/673703915.db2.gz QZFRGRCVACLUMT-NSHDSACASA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1)[NH+](C)C ZINC001044041894 673703896 /nfs/dbraw/zinc/70/38/96/673703896.db2.gz RJYLBMUXCWFXIU-NEPJUHHUSA-N 1 0 338.412 -1.131 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1)[NH+](C)C ZINC001044041897 673704070 /nfs/dbraw/zinc/70/40/70/673704070.db2.gz RJYLBMUXCWFXIU-RYUDHWBXSA-N 1 0 338.412 -1.131 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2ccnn2C)C1)[NH+](C)C ZINC001044041944 673704157 /nfs/dbraw/zinc/70/41/57/673704157.db2.gz SDVSECXAANLTSM-ZDUSSCGKSA-N 1 0 337.424 -1.008 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1)[NH+](C)C ZINC001044041946 673704144 /nfs/dbraw/zinc/70/41/44/673704144.db2.gz SERRKHGQWMLYGP-NSHDSACASA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@@H](C)NC(N)=O)C1)[NH+](C)C ZINC001044041961 673703919 /nfs/dbraw/zinc/70/39/19/673703919.db2.gz SLVDNHGIRDBDNY-MNOVXSKESA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001044041965 673703872 /nfs/dbraw/zinc/70/38/72/673703872.db2.gz SLVDNHGIRDBDNY-QWRGUYRKSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001044041980 673704077 /nfs/dbraw/zinc/70/40/77/673704077.db2.gz SUYOVEYZKRLNGT-UWVGGRQHSA-N 1 0 327.385 -2.303 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001044041981 673704002 /nfs/dbraw/zinc/70/40/02/673704002.db2.gz SUYOVEYZKRLNGT-ZJUUUORDSA-N 1 0 327.385 -2.303 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)NC(C)=O)C1)[NH+](C)C ZINC001044042021 673703933 /nfs/dbraw/zinc/70/39/33/673703933.db2.gz SZRQFTJKFKOIKE-LBPRGKRZSA-N 1 0 342.440 -1.069 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)[NH+](C)C ZINC001044042049 673703868 /nfs/dbraw/zinc/70/38/68/673703868.db2.gz VCXPJXFDLKSJBT-NWDGAFQWSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001044042050 673704152 /nfs/dbraw/zinc/70/41/52/673704152.db2.gz VCXPJXFDLKSJBT-RYUDHWBXSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCNC(=O)NC)C1)[NH+](C)C ZINC001044042116 673703965 /nfs/dbraw/zinc/70/39/65/673703965.db2.gz WMDPASQKICXQNZ-NSHDSACASA-N 1 0 343.428 -1.665 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2(NC(N)=O)CC2)C1)[NH+](C)C ZINC001044042148 673704165 /nfs/dbraw/zinc/70/41/65/673704165.db2.gz XEFXAHHLQWYZCQ-JTQLQIEISA-N 1 0 341.412 -1.783 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)COCCOC)C1)[NH+](C)C ZINC001044042152 673703881 /nfs/dbraw/zinc/70/38/81/673703881.db2.gz XJAQKGFFBYJIRX-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnnn2CC)C1)[NH+](C)C ZINC001044042163 673704088 /nfs/dbraw/zinc/70/40/88/673704088.db2.gz XUSQKHQIYJMYEL-NSHDSACASA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001044042224 673704175 /nfs/dbraw/zinc/70/41/75/673704175.db2.gz YHOVECWVQBYUJJ-UWVGGRQHSA-N 1 0 328.369 -1.876 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001044042225 673703979 /nfs/dbraw/zinc/70/39/79/673703979.db2.gz YHOVECWVQBYUJJ-ZJUUUORDSA-N 1 0 328.369 -1.876 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1)[NH+](C)C ZINC001044042235 673704025 /nfs/dbraw/zinc/70/40/25/673704025.db2.gz YNTNGFPKLIPNMD-NSHDSACASA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1)[NH+](C)C ZINC001044042239 673704050 /nfs/dbraw/zinc/70/40/50/673704050.db2.gz YPUZVYGYBBKCFM-JQWIXIFHSA-N 1 0 328.413 -1.459 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1)[NH+](C)C ZINC001044042240 673703910 /nfs/dbraw/zinc/70/39/10/673703910.db2.gz YPUZVYGYBBKCFM-PWSUYJOCSA-N 1 0 328.413 -1.459 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001044043513 673704010 /nfs/dbraw/zinc/70/40/10/673704010.db2.gz ACVAYPFABPFCCA-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1)[NH+](C)C ZINC001044043514 673704147 /nfs/dbraw/zinc/70/41/47/673704147.db2.gz ACVAYPFABPFCCA-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1)[NH+](C)C ZINC001044043516 673704135 /nfs/dbraw/zinc/70/41/35/673704135.db2.gz AFCZPPRNFBEUOW-NWDGAFQWSA-N 1 0 331.413 -1.323 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1)[NH+](C)C ZINC001044043517 673703955 /nfs/dbraw/zinc/70/39/55/673703955.db2.gz AFCZPPRNFBEUOW-RYUDHWBXSA-N 1 0 331.413 -1.323 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CNC(=O)NC)C1)[NH+](C)C ZINC001044043573 673704162 /nfs/dbraw/zinc/70/41/62/673704162.db2.gz CUYYMERFKHEYDT-JTQLQIEISA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1)[NH+](C)C ZINC001044043575 673704058 /nfs/dbraw/zinc/70/40/58/673704058.db2.gz CXJVYXMWFMKQAA-NSHDSACASA-N 1 0 337.380 -1.175 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044043578 673703996 /nfs/dbraw/zinc/70/39/96/673703996.db2.gz CZPZPCHMCMKTGJ-OLZOCXBDSA-N 1 0 342.440 -1.069 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044043579 673704042 /nfs/dbraw/zinc/70/40/42/673704042.db2.gz CZPZPCHMCMKTGJ-STQMWFEESA-N 1 0 342.440 -1.069 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2OCCO[C@H]2C)C1)[NH+](C)C ZINC001044043590 673703987 /nfs/dbraw/zinc/70/39/87/673703987.db2.gz DJKYQFYPMWNIFI-AVGNSLFASA-N 1 0 343.424 -1.180 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1)[NH+](C)C ZINC001044043595 673704098 /nfs/dbraw/zinc/70/40/98/673704098.db2.gz DOMXFZRJJDSIDT-NEPJUHHUSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001044043848 673704056 /nfs/dbraw/zinc/70/40/56/673704056.db2.gz FJAFLZAQTCQMFA-NHYWBVRUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1)[NH+](C)C ZINC001044043849 673703891 /nfs/dbraw/zinc/70/38/91/673703891.db2.gz FJAFLZAQTCQMFA-XHDPSFHLSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1)[NH+](C)C ZINC001044043858 673704053 /nfs/dbraw/zinc/70/40/53/673704053.db2.gz FMXJWTCRMILSAN-NHYWBVRUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1)[NH+](C)C ZINC001044043859 673704033 /nfs/dbraw/zinc/70/40/33/673704033.db2.gz FMXJWTCRMILSAN-XHDPSFHLSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001044043867 673704414 /nfs/dbraw/zinc/70/44/14/673704414.db2.gz FUDWRGSLUZDCDZ-MNOVXSKESA-N 1 0 349.453 -1.551 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)S(C)(=O)=O)C1)[NH+](C)C ZINC001044043869 673704299 /nfs/dbraw/zinc/70/42/99/673704299.db2.gz FUDWRGSLUZDCDZ-QWRGUYRKSA-N 1 0 349.453 -1.551 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001044043878 673704481 /nfs/dbraw/zinc/70/44/81/673704481.db2.gz FYLKOGNAJBAKLA-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001044043879 673704347 /nfs/dbraw/zinc/70/43/47/673704347.db2.gz FYLKOGNAJBAKLA-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1)[NH+](C)C ZINC001044043890 673704372 /nfs/dbraw/zinc/70/43/72/673704372.db2.gz GIEPYZARCWYAAS-NHYWBVRUSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)[NH+](C)C ZINC001044043902 673704463 /nfs/dbraw/zinc/70/44/63/673704463.db2.gz GVODCSSJMACPEA-QNWHQSFQSA-N 1 0 325.409 -1.092 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001044043925 673704434 /nfs/dbraw/zinc/70/44/34/673704434.db2.gz HNAIWBJOGBIHMM-JTQLQIEISA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001044043976 673704489 /nfs/dbraw/zinc/70/44/89/673704489.db2.gz IYCXCOZDUFGIRF-VIFPVBQESA-N 1 0 325.373 -2.147 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)n2C)C1)[NH+](C)C ZINC001044044114 673704448 /nfs/dbraw/zinc/70/44/48/673704448.db2.gz KFEDOEUCDQCQCD-JTQLQIEISA-N 1 0 339.396 -1.231 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCS(C)(=O)=O)C1)[NH+](C)C ZINC001044044214 673704342 /nfs/dbraw/zinc/70/43/42/673704342.db2.gz MFKHRJAUGUPUGN-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CS(=O)(=O)CC)C1)[NH+](C)C ZINC001044044219 669072987 /nfs/dbraw/zinc/07/29/87/669072987.db2.gz MJECIDAJNIUIRE-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001044044238 673704396 /nfs/dbraw/zinc/70/43/96/673704396.db2.gz MPXDZUJCJIAGPC-MNOVXSKESA-N 1 0 326.397 -1.848 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001044044239 673704440 /nfs/dbraw/zinc/70/44/40/673704440.db2.gz MPXDZUJCJIAGPC-QWRGUYRKSA-N 1 0 326.397 -1.848 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1)[NH+](C)C ZINC001044044308 673704331 /nfs/dbraw/zinc/70/43/31/673704331.db2.gz NSABUHFZMMKWPF-NSHDSACASA-N 1 0 328.413 -1.506 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCc2cn[nH]n2)C1)[NH+](C)C ZINC001044044316 673704320 /nfs/dbraw/zinc/70/43/20/673704320.db2.gz NXIMGVTXUNJLAB-LBPRGKRZSA-N 1 0 338.412 -1.233 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001044044325 673704384 /nfs/dbraw/zinc/70/43/84/673704384.db2.gz OFHASEWDGKVYCQ-JTQLQIEISA-N 1 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CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1)[NH+](C)C ZINC001044044432 673704534 /nfs/dbraw/zinc/70/45/34/673704534.db2.gz QOHCXQICAOTQPJ-QWRGUYRKSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C(=O)N2)C1)[NH+](C)C ZINC001044044825 673704509 /nfs/dbraw/zinc/70/45/09/673704509.db2.gz REEOBUWWKVTCQO-MNOVXSKESA-N 1 0 341.412 -1.960 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1)[NH+](C)C ZINC001044044826 673704282 /nfs/dbraw/zinc/70/42/82/673704282.db2.gz REEOBUWWKVTCQO-QWRGUYRKSA-N 1 0 341.412 -1.960 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1)[NH+](C)C ZINC001044044831 673704288 /nfs/dbraw/zinc/70/42/88/673704288.db2.gz RLCQKUOSQYHYFI-NSHDSACASA-N 1 0 337.380 -1.175 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001044044835 673704418 /nfs/dbraw/zinc/70/44/18/673704418.db2.gz RUFTUGIVMMUTQT-NEPJUHHUSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(C)C2)C1)[NH+](C)C ZINC001044044836 673704294 /nfs/dbraw/zinc/70/42/94/673704294.db2.gz RUFTUGIVMMUTQT-RYUDHWBXSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001044044870 673704378 /nfs/dbraw/zinc/70/43/78/673704378.db2.gz TVWUCIVYNYXJTN-JTQLQIEISA-N 1 0 329.401 -1.926 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001044045026 673704494 /nfs/dbraw/zinc/70/44/94/673704494.db2.gz WSXNGFROKREPNT-NEPJUHHUSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001044045028 673704359 /nfs/dbraw/zinc/70/43/59/673704359.db2.gz WSXNGFROKREPNT-RYUDHWBXSA-N 1 0 340.424 -1.506 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)[NH+](C)C ZINC001044045043 673704425 /nfs/dbraw/zinc/70/44/25/673704425.db2.gz WXSILMUJRXPIMQ-VWYCJHECSA-N 1 0 326.397 -1.863 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1)[NH+](C)C ZINC001044045061 673704819 /nfs/dbraw/zinc/70/48/19/673704819.db2.gz XGULBBDHUZHEJK-NSHDSACASA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cn(C)c(=O)[nH]2)C1)[NH+](C)C ZINC001044045089 673704701 /nfs/dbraw/zinc/70/47/01/673704701.db2.gz XWSNNJGFWLYVIB-NSHDSACASA-N 1 0 339.396 -1.231 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044045134 673704837 /nfs/dbraw/zinc/70/48/37/673704837.db2.gz YREFJCZHGNZNSV-NEPJUHHUSA-N 1 0 342.440 -1.069 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044045135 673704792 /nfs/dbraw/zinc/70/47/92/673704792.db2.gz YREFJCZHGNZNSV-RYUDHWBXSA-N 1 0 342.440 -1.069 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044047949 673705108 /nfs/dbraw/zinc/70/51/08/673705108.db2.gz RHPGHGGEVALXDF-UHFFFAOYSA-N 1 0 342.440 -1.114 20 0 EAADRO CCNC(=O)CCCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044050861 673705073 /nfs/dbraw/zinc/70/50/73/673705073.db2.gz AFPPROOPKXHYFF-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCCNC(=O)CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044051931 673705376 /nfs/dbraw/zinc/70/53/76/673705376.db2.gz ONFUGTCKDJPRSX-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)C1(CC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CCCC1 ZINC001044059419 673706045 /nfs/dbraw/zinc/70/60/45/673706045.db2.gz IDHOVNUHMVQPDQ-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001044059624 673706113 /nfs/dbraw/zinc/70/61/13/673706113.db2.gz IHEQGOJRHASGCJ-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001044059625 673706194 /nfs/dbraw/zinc/70/61/94/673706194.db2.gz IHEQGOJRHASGCJ-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)C1(CC(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CCCC1 ZINC001044059678 673706098 /nfs/dbraw/zinc/70/60/98/673706098.db2.gz JJKSNHPCGJQELS-UHFFFAOYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2O)C1 ZINC001044062626 673706938 /nfs/dbraw/zinc/70/69/38/673706938.db2.gz KFRDBBMSCBOUTP-TUAOUCFPSA-N 1 0 346.395 -1.473 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2O)C1 ZINC001044062628 673706893 /nfs/dbraw/zinc/70/68/93/673706893.db2.gz KFRDBBMSCBOUTP-UTUOFQBUSA-N 1 0 346.395 -1.473 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2O)C1 ZINC001044063050 673706801 /nfs/dbraw/zinc/70/68/01/673706801.db2.gz UXPCRQWEFXXOPE-TUAOUCFPSA-N 1 0 346.395 -1.473 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2O)C1 ZINC001044063051 673706954 /nfs/dbraw/zinc/70/69/54/673706954.db2.gz UXPCRQWEFXXOPE-UTUOFQBUSA-N 1 0 346.395 -1.473 20 0 EAADRO CO[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[C@H]1CCOC1 ZINC001044068804 673708198 /nfs/dbraw/zinc/70/81/98/673708198.db2.gz UOLOUMVXPXLABF-GXTWGEPZSA-N 1 0 343.424 -1.321 20 0 EAADRO CO[C@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[C@H]1CCOC1 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ZINC001044145514 673714035 /nfs/dbraw/zinc/71/40/35/673714035.db2.gz UKUXZAFFFJUINS-UHFFFAOYSA-N 1 0 345.359 -1.227 20 0 EAADRO NC(=O)CC(=O)N1CC(O)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001044145853 673714446 /nfs/dbraw/zinc/71/44/46/673714446.db2.gz XRXSZKHYJDOSMU-UHFFFAOYSA-N 1 0 331.332 -1.487 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001044158396 673715580 /nfs/dbraw/zinc/71/55/80/673715580.db2.gz HDXQJUGAJIXICS-UHFFFAOYSA-N 1 0 338.364 -1.367 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001044158948 673715638 /nfs/dbraw/zinc/71/56/38/673715638.db2.gz OSLAQTCCJDNHML-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001044158950 673715584 /nfs/dbraw/zinc/71/55/84/673715584.db2.gz OSLAQTCCJDNHML-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO COc1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC001044162539 673715951 /nfs/dbraw/zinc/71/59/51/673715951.db2.gz BITFMWJAIZRYHR-GFCCVEGCSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC001044162540 673716020 /nfs/dbraw/zinc/71/60/20/673716020.db2.gz BITFMWJAIZRYHR-LBPRGKRZSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cnc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)nc1 ZINC001044162975 673716325 /nfs/dbraw/zinc/71/63/25/673716325.db2.gz MNCZUFUNBYDRRS-UHFFFAOYSA-N 1 0 337.380 -1.260 20 0 EAADRO COc1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC001044165864 673716558 /nfs/dbraw/zinc/71/65/58/673716558.db2.gz IRTKDDPNSONIRB-LLVKDONJSA-N 1 0 349.391 -1.260 20 0 EAADRO COc1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC001044165865 673716581 /nfs/dbraw/zinc/71/65/81/673716581.db2.gz IRTKDDPNSONIRB-NSHDSACASA-N 1 0 349.391 -1.260 20 0 EAADRO COc1cc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)nn1C ZINC001044166360 673716522 /nfs/dbraw/zinc/71/65/22/673716522.db2.gz RFOHYFCDGPIEPA-UHFFFAOYSA-N 1 0 339.396 -1.317 20 0 EAADRO COc1cnc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)nc1 ZINC001044166597 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348.403 -1.360 20 0 EAADRO Cn1ccc(=O)c(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001044173100 673717129 /nfs/dbraw/zinc/71/71/29/673717129.db2.gz XCIZJVURKBJJJV-LBPRGKRZSA-N 1 0 348.403 -1.360 20 0 EAADRO COc1nccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001044174744 673717087 /nfs/dbraw/zinc/71/70/87/673717087.db2.gz FJRJJRNJZDQMPI-GFCCVEGCSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1nccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001044174745 673717210 /nfs/dbraw/zinc/71/72/10/673717210.db2.gz FJRJJRNJZDQMPI-LBPRGKRZSA-N 1 0 349.391 -1.118 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001044175680 673717371 /nfs/dbraw/zinc/71/73/71/673717371.db2.gz SWXMBZWNAFYIFY-UHFFFAOYSA-N 1 0 347.379 -1.392 20 0 EAADRO NC(=O)C(=O)N1CC(O)(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001044179299 673717883 /nfs/dbraw/zinc/71/78/83/673717883.db2.gz GZZCYMYXEPWCKG-UHFFFAOYSA-N 1 0 344.331 -1.944 20 0 EAADRO COc1nccc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)n1 ZINC001044179676 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ZINC001044235631 673720417 /nfs/dbraw/zinc/72/04/17/673720417.db2.gz GRNMJOVNTIQLAF-ULKWEWGCSA-N 1 0 335.404 -1.051 20 0 EAADRO Cn1cccc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)c1=O ZINC001044235904 673720504 /nfs/dbraw/zinc/72/05/04/673720504.db2.gz IMNORKZRODSDAZ-UHFFFAOYSA-N 1 0 336.392 -1.360 20 0 EAADRO Cn1cccc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)c1=O ZINC001044236159 673720472 /nfs/dbraw/zinc/72/04/72/673720472.db2.gz MWGZGHOJJGFOAX-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO Cn1cccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1=O ZINC001044236288 673720399 /nfs/dbraw/zinc/72/03/99/673720399.db2.gz QPUAAPJJMBZPCC-GFCCVEGCSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1cccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1=O ZINC001044236289 673720509 /nfs/dbraw/zinc/72/05/09/673720509.db2.gz QPUAAPJJMBZPCC-LBPRGKRZSA-N 1 0 348.403 -1.360 20 0 EAADRO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001044236736 673720478 /nfs/dbraw/zinc/72/04/78/673720478.db2.gz 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C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044246074 673720936 /nfs/dbraw/zinc/72/09/36/673720936.db2.gz GKDLKSAVTKROFM-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001044246154 673720964 /nfs/dbraw/zinc/72/09/64/673720964.db2.gz HXNAUUUIZYQVDJ-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001044246607 673721303 /nfs/dbraw/zinc/72/13/03/673721303.db2.gz OVTMPXBMHICORC-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001044247240 673721198 /nfs/dbraw/zinc/72/11/98/673721198.db2.gz XGPDVJMQODPRJO-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001044247452 673721311 /nfs/dbraw/zinc/72/13/11/673721311.db2.gz YPAPRAAZYDSMTQ-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001044250912 673721509 /nfs/dbraw/zinc/72/15/09/673721509.db2.gz 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ZINC001044251153 673721515 /nfs/dbraw/zinc/72/15/15/673721515.db2.gz HDZJTSOVOYCXAL-UHFFFAOYSA-N 1 0 342.440 -1.114 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001044251225 673721483 /nfs/dbraw/zinc/72/14/83/673721483.db2.gz IEYWGAKZMHOJKU-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001044251277 673721550 /nfs/dbraw/zinc/72/15/50/673721550.db2.gz IEYWGAKZMHOJKU-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001044251423 673721458 /nfs/dbraw/zinc/72/14/58/673721458.db2.gz LDCRMXNQLAXGEF-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251431 673721534 /nfs/dbraw/zinc/72/15/34/673721534.db2.gz LIFPVVNKQFHVCK-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001044251480 673721455 /nfs/dbraw/zinc/72/14/55/673721455.db2.gz LVCYUFYGNXQRTN-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001044251551 673721598 /nfs/dbraw/zinc/72/15/98/673721598.db2.gz MORJVCOVGNNBJW-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)CCCC[NH+](C)C)C2)nn1 ZINC001044251554 673721453 /nfs/dbraw/zinc/72/14/53/673721453.db2.gz MVCBWLDHQCMRQX-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251589 673721546 /nfs/dbraw/zinc/72/15/46/673721546.db2.gz NNXAMIBTMHNDRK-UHFFFAOYSA-N 1 0 344.412 -1.236 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251608 673721430 /nfs/dbraw/zinc/72/14/30/673721430.db2.gz NUOMINFFNPSEFB-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251609 673721465 /nfs/dbraw/zinc/72/14/65/673721465.db2.gz NUOMINFFNPSEFB-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001044251676 673721475 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CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251769 673721602 /nfs/dbraw/zinc/72/16/02/673721602.db2.gz RFFZEQYWOOBFAJ-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251771 673721485 /nfs/dbraw/zinc/72/14/85/673721485.db2.gz RFFZEQYWOOBFAJ-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001044251772 669143311 /nfs/dbraw/zinc/14/33/11/669143311.db2.gz RFMIFIRNSMRGFA-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)CCCC[NH+](C)C)C2)n1 ZINC001044251820 673721587 /nfs/dbraw/zinc/72/15/87/673721587.db2.gz SPTGUKOKWUHJKB-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251925 673721471 /nfs/dbraw/zinc/72/14/71/673721471.db2.gz VFKSFMPCZHPYDT-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251961 673721573 /nfs/dbraw/zinc/72/15/73/673721573.db2.gz 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CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265278 673722936 /nfs/dbraw/zinc/72/29/36/673722936.db2.gz CBZQPFSLUMVENU-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265304 673723032 /nfs/dbraw/zinc/72/30/32/673723032.db2.gz COSCOWIXYVMXAU-NSHDSACASA-N 1 0 342.396 -2.467 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001044265338 673723078 /nfs/dbraw/zinc/72/30/78/673723078.db2.gz DXQDYSWIWKIXLN-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001044265340 673723059 /nfs/dbraw/zinc/72/30/59/673723059.db2.gz DXQDYSWIWKIXLN-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001044265388 673722975 /nfs/dbraw/zinc/72/29/75/673722975.db2.gz GJHZXPFABPSYRT-AAEUAGOBSA-N 1 0 338.408 -1.705 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001044265389 673723036 /nfs/dbraw/zinc/72/30/36/673723036.db2.gz GJHZXPFABPSYRT-WCQYABFASA-N 1 0 338.408 -1.705 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265395 673723099 /nfs/dbraw/zinc/72/30/99/673723099.db2.gz GQEZSMHUULEXDH-NEPJUHHUSA-N 1 0 338.408 -1.561 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265396 673723087 /nfs/dbraw/zinc/72/30/87/673723087.db2.gz GQEZSMHUULEXDH-RYUDHWBXSA-N 1 0 338.408 -1.561 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265407 673723069 /nfs/dbraw/zinc/72/30/69/673723069.db2.gz GYMMDVQEGPOJMK-NSHDSACASA-N 1 0 326.397 -1.705 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)CC[N@@H+]1C ZINC001044265442 673723315 /nfs/dbraw/zinc/72/33/15/673723315.db2.gz IGFGVHJXVYLJDQ-UTUOFQBUSA-N 1 0 338.408 -1.705 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC001044265585 673723177 /nfs/dbraw/zinc/72/31/77/673723177.db2.gz JVCMVECMZMZUEE-NSHDSACASA-N 1 0 338.408 -1.704 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265606 673723342 /nfs/dbraw/zinc/72/33/42/673723342.db2.gz JZVFBQPUCWJDCB-NSHDSACASA-N 1 0 340.424 -1.315 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265627 673723252 /nfs/dbraw/zinc/72/32/52/673723252.db2.gz KQQCKMUGARFNAL-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044265675 673723299 /nfs/dbraw/zinc/72/32/99/673723299.db2.gz LOQDGEBXUOPGNM-AAEUAGOBSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044265676 673723200 /nfs/dbraw/zinc/72/32/00/673723200.db2.gz LOQDGEBXUOPGNM-WCQYABFASA-N 1 0 340.424 -1.459 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265756 673723453 /nfs/dbraw/zinc/72/34/53/673723453.db2.gz OGKFAFRSTOQFSO-LBPRGKRZSA-N 1 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C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)C1CCC1 ZINC001044265827 673723519 /nfs/dbraw/zinc/72/35/19/673723519.db2.gz RTKVDSSZAYCNCD-LBPRGKRZSA-N 1 0 338.408 -1.561 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044265832 673723631 /nfs/dbraw/zinc/72/36/31/673723631.db2.gz RYXQRQIQWIYFFL-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC001044266101 673723852 /nfs/dbraw/zinc/72/38/52/673723852.db2.gz VTAZDCDGSTWEHB-LBPRGKRZSA-N 1 0 338.408 -1.704 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044266123 673723867 /nfs/dbraw/zinc/72/38/67/673723867.db2.gz WKYXZWSJQRSNDC-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044268822 673724106 /nfs/dbraw/zinc/72/41/06/673724106.db2.gz DCSMZQILVUWXMM-NWDGAFQWSA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044268823 673724129 /nfs/dbraw/zinc/72/41/29/673724129.db2.gz DCSMZQILVUWXMM-RYUDHWBXSA-N 1 0 338.408 -1.561 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044268861 673724025 /nfs/dbraw/zinc/72/40/25/673724025.db2.gz DRISCZUVZXJSFU-ZDUSSCGKSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)C(C)C ZINC001044269541 673724358 /nfs/dbraw/zinc/72/43/58/673724358.db2.gz SEZKZSBTBBAGSE-CQSZACIVSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)[NH+](C)C ZINC001044286997 673725445 /nfs/dbraw/zinc/72/54/45/673725445.db2.gz ANCISZHASJDSMR-GHMZBOCLSA-N 1 0 342.396 -1.630 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)[NH+](C)C ZINC001044286998 673725429 /nfs/dbraw/zinc/72/54/29/673725429.db2.gz ANCISZHASJDSMR-WDEREUQCSA-N 1 0 342.396 -1.630 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287020 673725353 /nfs/dbraw/zinc/72/53/53/673725353.db2.gz AXDKZRIXKBYQCF-CQSZACIVSA-N 1 0 342.440 -1.260 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287024 673725469 /nfs/dbraw/zinc/72/54/69/673725469.db2.gz AXVKXEDRBDEHOG-CQSZACIVSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001044287044 673725482 /nfs/dbraw/zinc/72/54/82/673725482.db2.gz BMOXDHGSUBABLO-GFCCVEGCSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001044287071 673725735 /nfs/dbraw/zinc/72/57/35/673725735.db2.gz CAYFPIQTCDNYPC-GFCCVEGCSA-N 1 0 349.453 -1.693 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287089 673725706 /nfs/dbraw/zinc/72/57/06/673725706.db2.gz CSTDJPSVDAQEMJ-GFCCVEGCSA-N 1 0 344.412 -1.382 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287115 673725646 /nfs/dbraw/zinc/72/56/46/673725646.db2.gz DMXVXUCTSXBCEU-CQSZACIVSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1)[NH+](C)C ZINC001044287233 673725696 /nfs/dbraw/zinc/72/56/96/673725696.db2.gz FLJRMTPAAWSCNP-GFCCVEGCSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287240 673725732 /nfs/dbraw/zinc/72/57/32/673725732.db2.gz FNFIEKNPYQERPF-DGCLKSJQSA-N 1 0 342.440 -1.213 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287242 673725738 /nfs/dbraw/zinc/72/57/38/673725738.db2.gz FNFIEKNPYQERPF-WCQYABFASA-N 1 0 342.440 -1.213 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1)[NH+](C)C ZINC001044287255 673725743 /nfs/dbraw/zinc/72/57/43/673725743.db2.gz FZJSEXRTYIGXMJ-LLVKDONJSA-N 1 0 338.412 -1.296 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287325 673725724 /nfs/dbraw/zinc/72/57/24/673725724.db2.gz IAUZJPAMBQGEFM-CYBMUJFWSA-N 1 0 328.413 -1.602 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001044287342 673725718 /nfs/dbraw/zinc/72/57/18/673725718.db2.gz IXXKCDWTIYLCIH-GFCCVEGCSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)c2cnon2)C1)[NH+](C)C ZINC001044287343 673725747 /nfs/dbraw/zinc/72/57/47/673725747.db2.gz JAODSVCGKNVWOX-LLVKDONJSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)[NH+](C)C ZINC001044287352 673725721 /nfs/dbraw/zinc/72/57/21/673725721.db2.gz JFBFOODUPYIIPR-CHWSQXEVSA-N 1 0 343.424 -1.323 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)[NH+](C)C ZINC001044287353 673725715 /nfs/dbraw/zinc/72/57/15/673725715.db2.gz JFBFOODUPYIIPR-QWHCGFSZSA-N 1 0 343.424 -1.323 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001044287429 673725665 /nfs/dbraw/zinc/72/56/65/673725665.db2.gz JSIIQFAQUQMVEC-GHMZBOCLSA-N 1 0 341.412 -2.057 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001044287431 673725650 /nfs/dbraw/zinc/72/56/50/673725650.db2.gz JSIIQFAQUQMVEC-WDEREUQCSA-N 1 0 341.412 -2.057 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001044287496 673725741 /nfs/dbraw/zinc/72/57/41/673725741.db2.gz LTOHGHJTXGLPGC-LLVKDONJSA-N 1 0 329.401 -2.070 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287497 673725688 /nfs/dbraw/zinc/72/56/88/673725688.db2.gz LUDQLQIJELQPSF-CYBMUJFWSA-N 1 0 328.413 -1.602 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044287542 673725643 /nfs/dbraw/zinc/72/56/43/673725643.db2.gz NCGPANCAVSFYRT-DGCLKSJQSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1)[NH+](C)C ZINC001044287543 673725702 /nfs/dbraw/zinc/72/57/02/673725702.db2.gz NCGPANCAVSFYRT-WCQYABFASA-N 1 0 340.424 -1.459 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001044287558 673725679 /nfs/dbraw/zinc/72/56/79/673725679.db2.gz NGWVNJCUTZHVCL-LLVKDONJSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1)[NH+](C)C ZINC001044287667 673725712 /nfs/dbraw/zinc/72/57/12/673725712.db2.gz PLLIRYRRLPMOCS-CYBMUJFWSA-N 1 0 338.412 -1.446 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287696 673725730 /nfs/dbraw/zinc/72/57/30/673725730.db2.gz QDEUWRHSJWHZNV-CQSZACIVSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1)[NH+](C)C ZINC001044287809 673725710 /nfs/dbraw/zinc/72/57/10/673725710.db2.gz SAOJGGHADQIBRR-GFCCVEGCSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1)[NH+](C)C ZINC001044287864 673725726 /nfs/dbraw/zinc/72/57/26/673725726.db2.gz UHEMNWPHYALIRN-GFCCVEGCSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001044287913 673725698 /nfs/dbraw/zinc/72/56/98/673725698.db2.gz VPBFXSHKDOVBKH-WDEREUQCSA-N 1 0 343.428 -1.681 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001044290514 673726266 /nfs/dbraw/zinc/72/62/66/673726266.db2.gz AKLZXAPLYVGFBQ-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001044290588 673726270 /nfs/dbraw/zinc/72/62/70/673726270.db2.gz CAFJNFSCEILCEG-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001044290590 673726335 /nfs/dbraw/zinc/72/63/35/673726335.db2.gz CAFJNFSCEILCEG-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001044290607 673726247 /nfs/dbraw/zinc/72/62/47/673726247.db2.gz COULWZHCPKDONL-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001044290609 673726264 /nfs/dbraw/zinc/72/62/64/673726264.db2.gz COULWZHCPKDONL-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001044290626 673726319 /nfs/dbraw/zinc/72/63/19/673726319.db2.gz CUYMBNOZRSETIA-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001044290703 673726302 /nfs/dbraw/zinc/72/63/02/673726302.db2.gz DZEUVBYQMNJLRK-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044290706 673726253 /nfs/dbraw/zinc/72/62/53/673726253.db2.gz DZEUVBYQMNJLRK-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001044290789 673726339 /nfs/dbraw/zinc/72/63/39/673726339.db2.gz FMJRGXJROAOHJQ-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001044290792 673726273 /nfs/dbraw/zinc/72/62/73/673726273.db2.gz FQUGQWMALWZPLG-LLVKDONJSA-N 1 0 342.440 -1.226 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001044290795 673726212 /nfs/dbraw/zinc/72/62/12/673726212.db2.gz FWFSSBDOOLGVSK-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 ZINC001044290801 673726284 /nfs/dbraw/zinc/72/62/84/673726284.db2.gz GAQPHYSXUTXQHI-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001044290811 673726293 /nfs/dbraw/zinc/72/62/93/673726293.db2.gz GGIVNUUXKFAUPO-SNVBAGLBSA-N 1 0 339.400 -1.901 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001044290818 673726280 /nfs/dbraw/zinc/72/62/80/673726280.db2.gz GSVAUCOCYGOPTN-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001044290826 673726275 /nfs/dbraw/zinc/72/62/75/673726275.db2.gz GYCJELPIRNBFIH-CYBMUJFWSA-N 1 0 338.412 -1.377 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001044290870 673726291 /nfs/dbraw/zinc/72/62/91/673726291.db2.gz IFDQNJXCVWHRBP-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001044290872 673726225 /nfs/dbraw/zinc/72/62/25/673726225.db2.gz IFDQNJXCVWHRBP-NSHDSACASA-N 1 0 341.412 -1.911 20 0 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Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001044370607 673734383 /nfs/dbraw/zinc/73/43/83/673734383.db2.gz JQMKKKHFUOABRT-UHFFFAOYSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001044370690 673734745 /nfs/dbraw/zinc/73/47/45/673734745.db2.gz MTVXPTFBLVORPO-UHFFFAOYSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001044370709 673734701 /nfs/dbraw/zinc/73/47/01/673734701.db2.gz NVFPZKJQWQXUFN-GFCCVEGCSA-N 1 0 336.396 -1.244 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001044370710 673734649 /nfs/dbraw/zinc/73/46/49/673734649.db2.gz NVFPZKJQWQXUFN-LBPRGKRZSA-N 1 0 336.396 -1.244 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001044370785 673734591 /nfs/dbraw/zinc/73/45/91/673734591.db2.gz QJKRYXBRTSRWPW-JTQLQIEISA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001044370786 673734666 /nfs/dbraw/zinc/73/46/66/673734666.db2.gz QJKRYXBRTSRWPW-SNVBAGLBSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001044375153 673735311 /nfs/dbraw/zinc/73/53/11/673735311.db2.gz PZTZYIKFFFNBKN-UHFFFAOYSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001044375284 673735201 /nfs/dbraw/zinc/73/52/01/673735201.db2.gz SPSXTQLWAGRBTH-GHMZBOCLSA-N 1 0 336.396 -1.244 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044379707 673736304 /nfs/dbraw/zinc/73/63/04/673736304.db2.gz LUHBMIUKQPKYJE-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044379708 673736363 /nfs/dbraw/zinc/73/63/63/673736363.db2.gz LUHBMIUKQPKYJE-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO COc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044383538 673736987 /nfs/dbraw/zinc/73/69/87/673736987.db2.gz LCTJOOORQYYECG-UHFFFAOYSA-N 1 0 339.396 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001044383725 673737195 /nfs/dbraw/zinc/73/71/95/673737195.db2.gz PLCGBPFTSZXNIY-UHFFFAOYSA-N 1 0 347.379 -1.621 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001044386065 673737445 /nfs/dbraw/zinc/73/74/45/673737445.db2.gz MARWBRVPCHHKJI-WOPDTQHZSA-N 1 0 346.395 -1.331 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001044386137 673737563 /nfs/dbraw/zinc/73/75/63/673737563.db2.gz RYKGYDOJXMYKNH-NEPJUHHUSA-N 1 0 326.397 -1.440 20 0 EAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@@H]1C ZINC001044386139 673737533 /nfs/dbraw/zinc/73/75/33/673737533.db2.gz RYKGYDOJXMYKNH-NWDGAFQWSA-N 1 0 326.397 -1.440 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@@H]1C ZINC001044386140 673737473 /nfs/dbraw/zinc/73/74/73/673737473.db2.gz RYKGYDOJXMYKNH-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO COCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001044386142 673737486 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CNC(=O)CC(=O)N1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001044392136 673737772 /nfs/dbraw/zinc/73/77/72/673737772.db2.gz WEYQPKAMTRXMDU-UHFFFAOYSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001044417587 673738913 /nfs/dbraw/zinc/73/89/13/673738913.db2.gz AYHYJQKPMKVPNF-LLVKDONJSA-N 1 0 328.413 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001044417588 673738938 /nfs/dbraw/zinc/73/89/38/673738938.db2.gz AYHYJQKPMKVPNF-NSHDSACASA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001044417591 673738926 /nfs/dbraw/zinc/73/89/26/673738926.db2.gz BAKSJNDYHLSWKK-UHFFFAOYSA-N 1 0 341.412 -2.941 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1)[NH+](C)C ZINC001044417642 673738883 /nfs/dbraw/zinc/73/88/83/673738883.db2.gz CQHCLRVCYOTTLD-AAEUAGOBSA-N 1 0 342.440 -1.226 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1)[NH+](C)C ZINC001044417643 673738904 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ZINC001044418638 673739196 /nfs/dbraw/zinc/73/91/96/673739196.db2.gz QDPGNZOVDLGLFK-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001044418639 673739201 /nfs/dbraw/zinc/73/92/01/673739201.db2.gz QDPGNZOVDLGLFK-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO CC(C)(C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1)[NH+]1CCCC1 ZINC001044418906 673739415 /nfs/dbraw/zinc/73/94/15/673739415.db2.gz UZMQNCYATMSQHH-UHFFFAOYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001044419145 673739459 /nfs/dbraw/zinc/73/94/59/673739459.db2.gz WGXUBPOLSSPFAR-LLVKDONJSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001044419147 673739447 /nfs/dbraw/zinc/73/94/47/673739447.db2.gz WGXUBPOLSSPFAR-NSHDSACASA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001044419299 673739504 /nfs/dbraw/zinc/73/95/04/673739504.db2.gz 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CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1)[NH+](C)C ZINC001044425094 673739662 /nfs/dbraw/zinc/73/96/62/673739662.db2.gz ATDXIZXTXXQXMS-GHMZBOCLSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1)[NH+](C)C ZINC001044425095 673739747 /nfs/dbraw/zinc/73/97/47/673739747.db2.gz ATDXIZXTXXQXMS-WDEREUQCSA-N 1 0 328.413 -1.472 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001044426696 673740512 /nfs/dbraw/zinc/74/05/12/673740512.db2.gz KKTYMESSWVNLPJ-LLVKDONJSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001044426697 673740543 /nfs/dbraw/zinc/74/05/43/673740543.db2.gz KKTYMESSWVNLPJ-NSHDSACASA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001044428872 673741652 /nfs/dbraw/zinc/74/16/52/673741652.db2.gz YKMUUFBXMJSBGE-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001044428875 673741671 /nfs/dbraw/zinc/74/16/71/673741671.db2.gz YKMUUFBXMJSBGE-MNOVXSKESA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001044428876 673741694 /nfs/dbraw/zinc/74/16/94/673741694.db2.gz YKMUUFBXMJSBGE-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001044428878 673741632 /nfs/dbraw/zinc/74/16/32/673741632.db2.gz YKMUUFBXMJSBGE-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001044429118 673742061 /nfs/dbraw/zinc/74/20/61/673742061.db2.gz ZXEKDCCTHQGBLQ-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001044429120 673742009 /nfs/dbraw/zinc/74/20/09/673742009.db2.gz ZXEKDCCTHQGBLQ-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001044429121 673742111 /nfs/dbraw/zinc/74/21/11/673742111.db2.gz ZXEKDCCTHQGBLQ-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001044429122 673742069 /nfs/dbraw/zinc/74/20/69/673742069.db2.gz ZXEKDCCTHQGBLQ-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001044434050 673741890 /nfs/dbraw/zinc/74/18/90/673741890.db2.gz AMGSPXBOZUAFCU-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001044434052 673742021 /nfs/dbraw/zinc/74/20/21/673742021.db2.gz AMGSPXBOZUAFCU-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1)[NH+](C)C ZINC001044434069 673742002 /nfs/dbraw/zinc/74/20/02/673742002.db2.gz ATDXIZXTXXQXMS-MNOVXSKESA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1)[NH+](C)C ZINC001044434070 673741973 /nfs/dbraw/zinc/74/19/73/673741973.db2.gz ATDXIZXTXXQXMS-QWRGUYRKSA-N 1 0 328.413 -1.472 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001044434722 673742385 /nfs/dbraw/zinc/74/23/85/673742385.db2.gz GCHXGPHLVRDPOO-GWCFXTLKSA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001044434725 673742308 /nfs/dbraw/zinc/74/23/08/673742308.db2.gz GCHXGPHLVRDPOO-GXFFZTMASA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001044434727 673742342 /nfs/dbraw/zinc/74/23/42/673742342.db2.gz GCHXGPHLVRDPOO-MFKMUULPSA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001044434730 673742414 /nfs/dbraw/zinc/74/24/14/673742414.db2.gz GCHXGPHLVRDPOO-ZWNOBZJWSA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001044435583 673742769 /nfs/dbraw/zinc/74/27/69/673742769.db2.gz NCENKLNSTVGLKQ-LLVKDONJSA-N 1 0 344.412 -2.234 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001044435588 673742966 /nfs/dbraw/zinc/74/29/66/673742966.db2.gz NCENKLNSTVGLKQ-NSHDSACASA-N 1 0 344.412 -2.234 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044435984 673743194 /nfs/dbraw/zinc/74/31/94/673743194.db2.gz QERQULOCWVNCBD-GHMZBOCLSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044435986 673743094 /nfs/dbraw/zinc/74/30/94/673743094.db2.gz QERQULOCWVNCBD-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044435987 673743135 /nfs/dbraw/zinc/74/31/35/673743135.db2.gz QERQULOCWVNCBD-QWRGUYRKSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044435989 673743062 /nfs/dbraw/zinc/74/30/62/673743062.db2.gz QERQULOCWVNCBD-WDEREUQCSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044436016 673743037 /nfs/dbraw/zinc/74/30/37/673743037.db2.gz QMDSDZJESHAQNW-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044436018 673743032 /nfs/dbraw/zinc/74/30/32/673743032.db2.gz QMDSDZJESHAQNW-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044436019 673743143 /nfs/dbraw/zinc/74/31/43/673743143.db2.gz QMDSDZJESHAQNW-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044436020 673743048 /nfs/dbraw/zinc/74/30/48/673743048.db2.gz QMDSDZJESHAQNW-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044436322 673743073 /nfs/dbraw/zinc/74/30/73/673743073.db2.gz SQFTXFCWIARGJG-LLVKDONJSA-N 1 0 326.397 -1.717 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044436323 673743087 /nfs/dbraw/zinc/74/30/87/673743087.db2.gz SQFTXFCWIARGJG-NSHDSACASA-N 1 0 326.397 -1.717 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001044436449 673743529 /nfs/dbraw/zinc/74/35/29/673743529.db2.gz UOCIFAUIHPTYQP-IJLUTSLNSA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001044436452 673743439 /nfs/dbraw/zinc/74/34/39/673743439.db2.gz UOCIFAUIHPTYQP-QJPTWQEYSA-N 1 0 340.424 -1.472 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001044436641 673743498 /nfs/dbraw/zinc/74/34/98/673743498.db2.gz VRPDIUHEQCMGQC-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001044436642 673743474 /nfs/dbraw/zinc/74/34/74/673743474.db2.gz VRPDIUHEQCMGQC-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001044436644 673743453 /nfs/dbraw/zinc/74/34/53/673743453.db2.gz VRPDIUHEQCMGQC-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001044436645 673743478 /nfs/dbraw/zinc/74/34/78/673743478.db2.gz VRPDIUHEQCMGQC-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001044436870 673743513 /nfs/dbraw/zinc/74/35/13/673743513.db2.gz XBJGVQWWJXDGRH-LLVKDONJSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001044436871 673743459 /nfs/dbraw/zinc/74/34/59/673743459.db2.gz XBJGVQWWJXDGRH-NSHDSACASA-N 1 0 342.440 -1.082 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044436874 673743403 /nfs/dbraw/zinc/74/34/03/673743403.db2.gz XBZYCNQEFUGJMU-LLVKDONJSA-N 1 0 338.408 -1.717 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044436875 673743395 /nfs/dbraw/zinc/74/33/95/673743395.db2.gz XBZYCNQEFUGJMU-NSHDSACASA-N 1 0 338.408 -1.717 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001044437100 673743793 /nfs/dbraw/zinc/74/37/93/673743793.db2.gz ZMQSBRDBRLHYAW-LLVKDONJSA-N 1 0 328.413 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001044437102 673743731 /nfs/dbraw/zinc/74/37/31/673743731.db2.gz ZMQSBRDBRLHYAW-NSHDSACASA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001044441330 673743739 /nfs/dbraw/zinc/74/37/39/673743739.db2.gz AKWCUCLLMKQOMZ-GHMZBOCLSA-N 1 0 326.397 -1.848 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001044441331 673743736 /nfs/dbraw/zinc/74/37/36/673743736.db2.gz AKWCUCLLMKQOMZ-MNOVXSKESA-N 1 0 326.397 -1.848 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001044441333 673743772 /nfs/dbraw/zinc/74/37/72/673743772.db2.gz AKWCUCLLMKQOMZ-QWRGUYRKSA-N 1 0 326.397 -1.848 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001044441334 673743763 /nfs/dbraw/zinc/74/37/63/673743763.db2.gz AKWCUCLLMKQOMZ-WDEREUQCSA-N 1 0 326.397 -1.848 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001044441340 673743722 /nfs/dbraw/zinc/74/37/22/673743722.db2.gz AOBUFSBEHIHZMS-LLVKDONJSA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001044441341 673743754 /nfs/dbraw/zinc/74/37/54/673743754.db2.gz AOBUFSBEHIHZMS-NSHDSACASA-N 1 0 338.408 -1.846 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCNC1=O ZINC001044441424 673744000 /nfs/dbraw/zinc/74/40/00/673744000.db2.gz BHDQBWJXIKIBJQ-LLVKDONJSA-N 1 0 336.392 -2.092 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCNC1=O ZINC001044441426 673744111 /nfs/dbraw/zinc/74/41/11/673744111.db2.gz BHDQBWJXIKIBJQ-NSHDSACASA-N 1 0 336.392 -2.092 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001044441634 673744084 /nfs/dbraw/zinc/74/40/84/673744084.db2.gz CNNHHQVNTDDSSK-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001044441636 673744053 /nfs/dbraw/zinc/74/40/53/673744053.db2.gz CNNHHQVNTDDSSK-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001044441638 673744066 /nfs/dbraw/zinc/74/40/66/673744066.db2.gz CNNHHQVNTDDSSK-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001044441640 673744011 /nfs/dbraw/zinc/74/40/11/673744011.db2.gz CNNHHQVNTDDSSK-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044441717 673744072 /nfs/dbraw/zinc/74/40/72/673744072.db2.gz CZPNYCDYLUVHHH-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044441720 673744413 /nfs/dbraw/zinc/74/44/13/673744413.db2.gz CZPNYCDYLUVHHH-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001044441876 673744375 /nfs/dbraw/zinc/74/43/75/673744375.db2.gz DNXSSIDUMKKHDF-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001044441877 673744397 /nfs/dbraw/zinc/74/43/97/673744397.db2.gz DNXSSIDUMKKHDF-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001044441878 673744452 /nfs/dbraw/zinc/74/44/52/673744452.db2.gz DNXSSIDUMKKHDF-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001044441879 673744433 /nfs/dbraw/zinc/74/44/33/673744433.db2.gz DNXSSIDUMKKHDF-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001044441886 673744365 /nfs/dbraw/zinc/74/43/65/673744365.db2.gz DQWPWUFXEHRPRH-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001044441887 673744423 /nfs/dbraw/zinc/74/44/23/673744423.db2.gz DQWPWUFXEHRPRH-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001044441888 673744384 /nfs/dbraw/zinc/74/43/84/673744384.db2.gz DQWPWUFXEHRPRH-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001044441889 673744353 /nfs/dbraw/zinc/74/43/53/673744353.db2.gz DQWPWUFXEHRPRH-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044441896 673744391 /nfs/dbraw/zinc/74/43/91/673744391.db2.gz DTPUPGBPJNELAX-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044441897 673744358 /nfs/dbraw/zinc/74/43/58/673744358.db2.gz DTPUPGBPJNELAX-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001044442313 673744635 /nfs/dbraw/zinc/74/46/35/673744635.db2.gz HGFAQXYGZPMRFC-NEPJUHHUSA-N 1 0 340.424 -1.602 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001044442314 673744657 /nfs/dbraw/zinc/74/46/57/673744657.db2.gz HGFAQXYGZPMRFC-NWDGAFQWSA-N 1 0 340.424 -1.602 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001044442316 673744617 /nfs/dbraw/zinc/74/46/17/673744617.db2.gz HGFAQXYGZPMRFC-RYUDHWBXSA-N 1 0 340.424 -1.602 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001044442319 673744767 /nfs/dbraw/zinc/74/47/67/673744767.db2.gz HGFAQXYGZPMRFC-VXGBXAGGSA-N 1 0 340.424 -1.602 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001044443935 673745440 /nfs/dbraw/zinc/74/54/40/673745440.db2.gz PEPRLQZDASPUNN-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001044443937 673745504 /nfs/dbraw/zinc/74/55/04/673745504.db2.gz PEPRLQZDASPUNN-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001044443938 673745488 /nfs/dbraw/zinc/74/54/88/673745488.db2.gz PEPRLQZDASPUNN-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001044443939 673745472 /nfs/dbraw/zinc/74/54/72/673745472.db2.gz PEPRLQZDASPUNN-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001044443990 673745779 /nfs/dbraw/zinc/74/57/79/673745779.db2.gz PTIFAOYBRMMANM-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001044443991 673745975 /nfs/dbraw/zinc/74/59/75/673745975.db2.gz PTIFAOYBRMMANM-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001044443992 673745904 /nfs/dbraw/zinc/74/59/04/673745904.db2.gz PTIFAOYBRMMANM-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001044443993 673745860 /nfs/dbraw/zinc/74/58/60/673745860.db2.gz PTIFAOYBRMMANM-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044444075 673745890 /nfs/dbraw/zinc/74/58/90/673745890.db2.gz QZHAUTKMEOIZGF-LLVKDONJSA-N 1 0 342.396 -2.610 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044444076 673745915 /nfs/dbraw/zinc/74/59/15/673745915.db2.gz QZHAUTKMEOIZGF-NSHDSACASA-N 1 0 342.396 -2.610 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044444223 673745775 /nfs/dbraw/zinc/74/57/75/673745775.db2.gz RFJQTTXGOHDYIF-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044444225 673745965 /nfs/dbraw/zinc/74/59/65/673745965.db2.gz RFJQTTXGOHDYIF-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001044444517 673746129 /nfs/dbraw/zinc/74/61/29/673746129.db2.gz UQCZOCYUDVJWHZ-GFCCVEGCSA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001044444518 673746148 /nfs/dbraw/zinc/74/61/48/673746148.db2.gz UQCZOCYUDVJWHZ-LBPRGKRZSA-N 1 0 338.408 -1.846 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044445214 673746764 /nfs/dbraw/zinc/74/67/64/673746764.db2.gz YBQFUWGNKJRUOL-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044445215 673746867 /nfs/dbraw/zinc/74/68/67/673746867.db2.gz YBQFUWGNKJRUOL-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044445232 673746809 /nfs/dbraw/zinc/74/68/09/673746809.db2.gz YDWDNEWDMUXARN-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044445233 673746751 /nfs/dbraw/zinc/74/67/51/673746751.db2.gz YDWDNEWDMUXARN-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001044445436 673747220 /nfs/dbraw/zinc/74/72/20/673747220.db2.gz ZCJQJOXMXXMTKG-GHMZBOCLSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001044445437 673747171 /nfs/dbraw/zinc/74/71/71/673747171.db2.gz ZCJQJOXMXXMTKG-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001044445438 673747209 /nfs/dbraw/zinc/74/72/09/673747209.db2.gz ZCJQJOXMXXMTKG-QWRGUYRKSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001044445439 673747223 /nfs/dbraw/zinc/74/72/23/673747223.db2.gz ZCJQJOXMXXMTKG-WDEREUQCSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cnnn1 ZINC001044446964 673747077 /nfs/dbraw/zinc/74/70/77/673747077.db2.gz FBFDREJIMZLOGB-NXEZZACHSA-N 1 0 335.372 -1.736 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cnnn1 ZINC001044446970 673747213 /nfs/dbraw/zinc/74/72/13/673747213.db2.gz FBFDREJIMZLOGB-UWVGGRQHSA-N 1 0 335.372 -1.736 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cnnn1 ZINC001044446972 673747195 /nfs/dbraw/zinc/74/71/95/673747195.db2.gz FBFDREJIMZLOGB-VHSXEESVSA-N 1 0 335.372 -1.736 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cnnn1 ZINC001044446973 673747167 /nfs/dbraw/zinc/74/71/67/673747167.db2.gz FBFDREJIMZLOGB-ZJUUUORDSA-N 1 0 335.372 -1.736 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044451173 673747783 /nfs/dbraw/zinc/74/77/83/673747783.db2.gz DWNQFIJZYJUBHN-NEPJUHHUSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044451174 673747936 /nfs/dbraw/zinc/74/79/36/673747936.db2.gz DWNQFIJZYJUBHN-NWDGAFQWSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044451176 673747895 /nfs/dbraw/zinc/74/78/95/673747895.db2.gz DWNQFIJZYJUBHN-RYUDHWBXSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044451177 673747827 /nfs/dbraw/zinc/74/78/27/673747827.db2.gz DWNQFIJZYJUBHN-VXGBXAGGSA-N 1 0 338.408 -1.717 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001044451572 673748270 /nfs/dbraw/zinc/74/82/70/673748270.db2.gz ILVWWJLKJDGXOE-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001044451574 673748121 /nfs/dbraw/zinc/74/81/21/673748121.db2.gz ILVWWJLKJDGXOE-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001044451575 673748116 /nfs/dbraw/zinc/74/81/16/673748116.db2.gz ILVWWJLKJDGXOE-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001044451577 673748169 /nfs/dbraw/zinc/74/81/69/673748169.db2.gz ILVWWJLKJDGXOE-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001044451869 673748534 /nfs/dbraw/zinc/74/85/34/673748534.db2.gz LOSQIFYUCIIUTG-NEPJUHHUSA-N 1 0 338.408 -1.848 20 0 EAADRO 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ZINC001044625997 673759149 /nfs/dbraw/zinc/75/91/49/673759149.db2.gz PBAXKCWOQKLTFO-GHMZBOCLSA-N 1 0 337.380 -1.999 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001044625998 673759095 /nfs/dbraw/zinc/75/90/95/673759095.db2.gz PBAXKCWOQKLTFO-MNOVXSKESA-N 1 0 337.380 -1.999 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001044625999 673759183 /nfs/dbraw/zinc/75/91/83/673759183.db2.gz PBAXKCWOQKLTFO-QWRGUYRKSA-N 1 0 337.380 -1.999 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001044626000 673759112 /nfs/dbraw/zinc/75/91/12/673759112.db2.gz PBAXKCWOQKLTFO-WDEREUQCSA-N 1 0 337.380 -1.999 20 0 EAADRO CCn1cc(CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001044643783 673759779 /nfs/dbraw/zinc/75/97/79/673759779.db2.gz SYMOIQYEDIGAMO-UHFFFAOYSA-N 1 0 338.412 -1.518 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001044653032 673759657 /nfs/dbraw/zinc/75/96/57/673759657.db2.gz ZIZXWGBAGISYEF-NEPJUHHUSA-N 1 0 325.413 -1.785 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001044653033 673759703 /nfs/dbraw/zinc/75/97/03/673759703.db2.gz ZIZXWGBAGISYEF-NWDGAFQWSA-N 1 0 325.413 -1.785 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001044653034 673759712 /nfs/dbraw/zinc/75/97/12/673759712.db2.gz ZIZXWGBAGISYEF-RYUDHWBXSA-N 1 0 325.413 -1.785 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001044653035 673759705 /nfs/dbraw/zinc/75/97/05/673759705.db2.gz ZIZXWGBAGISYEF-VXGBXAGGSA-N 1 0 325.413 -1.785 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044656394 673759646 /nfs/dbraw/zinc/75/96/46/673759646.db2.gz HYBJERLLJZFGMY-NEPJUHHUSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044656397 673759735 /nfs/dbraw/zinc/75/97/35/673759735.db2.gz HYBJERLLJZFGMY-NWDGAFQWSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044656399 673759789 /nfs/dbraw/zinc/75/97/89/673759789.db2.gz HYBJERLLJZFGMY-RYUDHWBXSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044656403 673759791 /nfs/dbraw/zinc/75/97/91/673759791.db2.gz HYBJERLLJZFGMY-VXGBXAGGSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001044657022 673759782 /nfs/dbraw/zinc/75/97/82/673759782.db2.gz FSYGYBCABPNHLN-BDAKNGLRSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001044657023 673759623 /nfs/dbraw/zinc/75/96/23/673759623.db2.gz FSYGYBCABPNHLN-DTWKUNHWSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001044657024 673759634 /nfs/dbraw/zinc/75/96/34/673759634.db2.gz FSYGYBCABPNHLN-IUCAKERBSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001044657025 673759758 /nfs/dbraw/zinc/75/97/58/673759758.db2.gz FSYGYBCABPNHLN-RKDXNWHRSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cn[nH]n1 ZINC001044657616 673760063 /nfs/dbraw/zinc/76/00/63/673760063.db2.gz LPJLLUWEGLRPIH-GHMZBOCLSA-N 1 0 349.395 -1.654 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cn[nH]n1 ZINC001044657618 673760036 /nfs/dbraw/zinc/76/00/36/673760036.db2.gz LPJLLUWEGLRPIH-MNOVXSKESA-N 1 0 349.395 -1.654 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cn[nH]n1 ZINC001044657620 673760131 /nfs/dbraw/zinc/76/01/31/673760131.db2.gz LPJLLUWEGLRPIH-QWRGUYRKSA-N 1 0 349.395 -1.654 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1cn[nH]n1 ZINC001044657622 673759964 /nfs/dbraw/zinc/75/99/64/673759964.db2.gz LPJLLUWEGLRPIH-WDEREUQCSA-N 1 0 349.395 -1.654 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001044657623 673759970 /nfs/dbraw/zinc/75/99/70/673759970.db2.gz LQBARKQMQRSJQT-NXEZZACHSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001044657625 673760073 /nfs/dbraw/zinc/76/00/73/673760073.db2.gz LQBARKQMQRSJQT-UWVGGRQHSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001044657627 673760042 /nfs/dbraw/zinc/76/00/42/673760042.db2.gz LQBARKQMQRSJQT-VHSXEESVSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001044657628 673760115 /nfs/dbraw/zinc/76/01/15/673760115.db2.gz LQBARKQMQRSJQT-ZJUUUORDSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658068 673759953 /nfs/dbraw/zinc/75/99/53/673759953.db2.gz METRIHAEGXITTM-GHMZBOCLSA-N 1 0 349.399 -1.725 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658071 673759984 /nfs/dbraw/zinc/75/99/84/673759984.db2.gz METRIHAEGXITTM-MNOVXSKESA-N 1 0 349.399 -1.725 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658073 673760107 /nfs/dbraw/zinc/76/01/07/673760107.db2.gz METRIHAEGXITTM-QWRGUYRKSA-N 1 0 349.399 -1.725 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658076 673760144 /nfs/dbraw/zinc/76/01/44/673760144.db2.gz METRIHAEGXITTM-WDEREUQCSA-N 1 0 349.399 -1.725 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658468 673760055 /nfs/dbraw/zinc/76/00/55/673760055.db2.gz NIQLFKMQGJHCNO-CHWSQXEVSA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658470 673760045 /nfs/dbraw/zinc/76/00/45/673760045.db2.gz NIQLFKMQGJHCNO-OLZOCXBDSA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658472 673759999 /nfs/dbraw/zinc/75/99/99/673759999.db2.gz NIQLFKMQGJHCNO-QWHCGFSZSA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044658475 673759980 /nfs/dbraw/zinc/75/99/80/673759980.db2.gz NIQLFKMQGJHCNO-STQMWFEESA-N 1 0 348.411 -1.157 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659430 673760151 /nfs/dbraw/zinc/76/01/51/673760151.db2.gz PKPPIOCCNVXCHE-NEPJUHHUSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659433 673760069 /nfs/dbraw/zinc/76/00/69/673760069.db2.gz PKPPIOCCNVXCHE-NWDGAFQWSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659436 673760126 /nfs/dbraw/zinc/76/01/26/673760126.db2.gz PKPPIOCCNVXCHE-RYUDHWBXSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659438 673760002 /nfs/dbraw/zinc/76/00/02/673760002.db2.gz PKPPIOCCNVXCHE-VXGBXAGGSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659517 673760006 /nfs/dbraw/zinc/76/00/06/673760006.db2.gz PWSIKDVNLZMGPY-NEPJUHHUSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659519 673760047 /nfs/dbraw/zinc/76/00/47/673760047.db2.gz PWSIKDVNLZMGPY-NWDGAFQWSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659522 673759994 /nfs/dbraw/zinc/75/99/94/673759994.db2.gz PWSIKDVNLZMGPY-RYUDHWBXSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044659524 673760067 /nfs/dbraw/zinc/76/00/67/673760067.db2.gz PWSIKDVNLZMGPY-VXGBXAGGSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001044659967 673760077 /nfs/dbraw/zinc/76/00/77/673760077.db2.gz RLWMONOXMLOKQF-PSASIEDQSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001044659968 673760013 /nfs/dbraw/zinc/76/00/13/673760013.db2.gz RLWMONOXMLOKQF-SCZZXKLOSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001044659970 673760020 /nfs/dbraw/zinc/76/00/20/673760020.db2.gz RLWMONOXMLOKQF-WCBMZHEXSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001044659971 673759990 /nfs/dbraw/zinc/75/99/90/673759990.db2.gz RLWMONOXMLOKQF-WPRPVWTQSA-N 1 0 344.393 -1.005 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044661900 673760335 /nfs/dbraw/zinc/76/03/35/673760335.db2.gz XPEWSKGDTMABBP-NEPJUHHUSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044661902 673760306 /nfs/dbraw/zinc/76/03/06/673760306.db2.gz XPEWSKGDTMABBP-NWDGAFQWSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044661903 673760484 /nfs/dbraw/zinc/76/04/84/673760484.db2.gz XPEWSKGDTMABBP-RYUDHWBXSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044661905 673760467 /nfs/dbraw/zinc/76/04/67/673760467.db2.gz XPEWSKGDTMABBP-VXGBXAGGSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044662222 673760537 /nfs/dbraw/zinc/76/05/37/673760537.db2.gz YJUODWWOIWDUCA-NEPJUHHUSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044662224 673760531 /nfs/dbraw/zinc/76/05/31/673760531.db2.gz YJUODWWOIWDUCA-NWDGAFQWSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044662227 673760513 /nfs/dbraw/zinc/76/05/13/673760513.db2.gz YJUODWWOIWDUCA-RYUDHWBXSA-N 1 0 348.411 -1.120 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncn(C)c1=O ZINC001044662229 673760425 /nfs/dbraw/zinc/76/04/25/673760425.db2.gz YJUODWWOIWDUCA-VXGBXAGGSA-N 1 0 348.411 -1.120 20 0 EAADRO Cn1ccnc1CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044667124 673760354 /nfs/dbraw/zinc/76/03/54/673760354.db2.gz PVBQTWLFZVPBGO-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1ccnc1CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044667513 673760389 /nfs/dbraw/zinc/76/03/89/673760389.db2.gz XTPOSAVVXDXUQN-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccnc1CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044667514 673760515 /nfs/dbraw/zinc/76/05/15/673760515.db2.gz XTPOSAVVXDXUQN-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2O)CC[N@@H+]1C ZINC001044684307 673760863 /nfs/dbraw/zinc/76/08/63/673760863.db2.gz DEDLOPGLCSKRCU-KKOKHZNYSA-N 1 0 346.395 -1.475 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2O)CC[N@@H+]1C ZINC001044685322 673760845 /nfs/dbraw/zinc/76/08/45/673760845.db2.gz RTWSALPOHQQBHK-KKOKHZNYSA-N 1 0 346.395 -1.475 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCCS1(=O)=O ZINC001044686341 673760800 /nfs/dbraw/zinc/76/08/00/673760800.db2.gz RBQTZIAMVSPJEJ-NEPJUHHUSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCCS1(=O)=O ZINC001044686342 673760740 /nfs/dbraw/zinc/76/07/40/673760740.db2.gz RBQTZIAMVSPJEJ-NWDGAFQWSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCCS1(=O)=O ZINC001044686343 673760791 /nfs/dbraw/zinc/76/07/91/673760791.db2.gz RBQTZIAMVSPJEJ-RYUDHWBXSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCCS1(=O)=O ZINC001044686344 673760828 /nfs/dbraw/zinc/76/08/28/673760828.db2.gz RBQTZIAMVSPJEJ-VXGBXAGGSA-N 1 0 346.453 -1.134 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001044688020 673761111 /nfs/dbraw/zinc/76/11/11/673761111.db2.gz MWXUGJYJWWQSPH-CYBMUJFWSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001044688021 673761083 /nfs/dbraw/zinc/76/10/83/673761083.db2.gz MWXUGJYJWWQSPH-ZDUSSCGKSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC001044696269 673761602 /nfs/dbraw/zinc/76/16/02/673761602.db2.gz DVFWMZBVHKDRJZ-NEPJUHHUSA-N 1 0 346.391 -1.050 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC001044696270 673761581 /nfs/dbraw/zinc/76/15/81/673761581.db2.gz DVFWMZBVHKDRJZ-NWDGAFQWSA-N 1 0 346.391 -1.050 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC001044696271 673761593 /nfs/dbraw/zinc/76/15/93/673761593.db2.gz DVFWMZBVHKDRJZ-RYUDHWBXSA-N 1 0 346.391 -1.050 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1nc2ccccn2c1=O ZINC001044696272 673761588 /nfs/dbraw/zinc/76/15/88/673761588.db2.gz DVFWMZBVHKDRJZ-VXGBXAGGSA-N 1 0 346.391 -1.050 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C[C@H]2C)nn1-c1nc[nH]n1 ZINC001044700175 673761876 /nfs/dbraw/zinc/76/18/76/673761876.db2.gz JNDYEASYBMDIEN-PSASIEDQSA-N 1 0 347.383 -1.238 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C[C@H]2C)nn1-c1nc[nH]n1 ZINC001044700179 673761893 /nfs/dbraw/zinc/76/18/93/673761893.db2.gz JNDYEASYBMDIEN-SCZZXKLOSA-N 1 0 347.383 -1.238 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C[C@@H]2C)nn1-c1nc[nH]n1 ZINC001044700180 673761976 /nfs/dbraw/zinc/76/19/76/673761976.db2.gz JNDYEASYBMDIEN-WCBMZHEXSA-N 1 0 347.383 -1.238 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C[C@@H]2C)nn1-c1nc[nH]n1 ZINC001044700182 673762001 /nfs/dbraw/zinc/76/20/01/673762001.db2.gz JNDYEASYBMDIEN-WPRPVWTQSA-N 1 0 347.383 -1.238 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701227 673761872 /nfs/dbraw/zinc/76/18/72/673761872.db2.gz FNMUZOJDDWKGPA-CHWSQXEVSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701228 673761912 /nfs/dbraw/zinc/76/19/12/673761912.db2.gz FNMUZOJDDWKGPA-OLZOCXBDSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701229 673761932 /nfs/dbraw/zinc/76/19/32/673761932.db2.gz FNMUZOJDDWKGPA-QWHCGFSZSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701230 673761869 /nfs/dbraw/zinc/76/18/69/673761869.db2.gz FNMUZOJDDWKGPA-STQMWFEESA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1nnn(C)n1 ZINC001044701446 673761972 /nfs/dbraw/zinc/76/19/72/673761972.db2.gz HEZXPZVSTWNNFO-BDAKNGLRSA-N 1 0 335.372 -1.585 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1nnn(C)n1 ZINC001044701447 673761943 /nfs/dbraw/zinc/76/19/43/673761943.db2.gz HEZXPZVSTWNNFO-DTWKUNHWSA-N 1 0 335.372 -1.585 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1nnn(C)n1 ZINC001044701448 673761922 /nfs/dbraw/zinc/76/19/22/673761922.db2.gz HEZXPZVSTWNNFO-IUCAKERBSA-N 1 0 335.372 -1.585 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1nnn(C)n1 ZINC001044701449 673761877 /nfs/dbraw/zinc/76/18/77/673761877.db2.gz HEZXPZVSTWNNFO-RKDXNWHRSA-N 1 0 335.372 -1.585 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701531 673761988 /nfs/dbraw/zinc/76/19/88/673761988.db2.gz ICVWMSWOMHXNNJ-CHWSQXEVSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701533 673761920 /nfs/dbraw/zinc/76/19/20/673761920.db2.gz ICVWMSWOMHXNNJ-OLZOCXBDSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701535 673761865 /nfs/dbraw/zinc/76/18/65/673761865.db2.gz ICVWMSWOMHXNNJ-QWHCGFSZSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044701537 673761857 /nfs/dbraw/zinc/76/18/57/673761857.db2.gz ICVWMSWOMHXNNJ-STQMWFEESA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702318 673761895 /nfs/dbraw/zinc/76/18/95/673761895.db2.gz OJPIZTSVHHUBGW-CHWSQXEVSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702319 673762008 /nfs/dbraw/zinc/76/20/08/673762008.db2.gz OJPIZTSVHHUBGW-OLZOCXBDSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702320 673761886 /nfs/dbraw/zinc/76/18/86/673761886.db2.gz OJPIZTSVHHUBGW-QWHCGFSZSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702322 673761859 /nfs/dbraw/zinc/76/18/59/673761859.db2.gz OJPIZTSVHHUBGW-STQMWFEESA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702442 673761915 /nfs/dbraw/zinc/76/19/15/673761915.db2.gz PJHZCDGGDGSGAJ-CHWSQXEVSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702443 673761950 /nfs/dbraw/zinc/76/19/50/673761950.db2.gz PJHZCDGGDGSGAJ-OLZOCXBDSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702444 673761908 /nfs/dbraw/zinc/76/19/08/673761908.db2.gz PJHZCDGGDGSGAJ-QWHCGFSZSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044702445 673761882 /nfs/dbraw/zinc/76/18/82/673761882.db2.gz PJHZCDGGDGSGAJ-STQMWFEESA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044703811 673761978 /nfs/dbraw/zinc/76/19/78/673761978.db2.gz WMGXYVNMRMVFGS-CHWSQXEVSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044703812 673761965 /nfs/dbraw/zinc/76/19/65/673761965.db2.gz WMGXYVNMRMVFGS-OLZOCXBDSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044703813 673762020 /nfs/dbraw/zinc/76/20/20/673762020.db2.gz WMGXYVNMRMVFGS-QWHCGFSZSA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044703814 673761993 /nfs/dbraw/zinc/76/19/93/673761993.db2.gz WMGXYVNMRMVFGS-STQMWFEESA-N 1 0 349.439 -1.284 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704127 673762181 /nfs/dbraw/zinc/76/21/81/673762181.db2.gz YELGRCDNZNGFOW-KBPBESRZSA-N 1 0 349.439 -1.321 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704128 673762261 /nfs/dbraw/zinc/76/22/61/673762261.db2.gz YELGRCDNZNGFOW-KGLIPLIRSA-N 1 0 349.439 -1.321 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704129 673762251 /nfs/dbraw/zinc/76/22/51/673762251.db2.gz YELGRCDNZNGFOW-UONOGXRCSA-N 1 0 349.439 -1.321 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704130 673762222 /nfs/dbraw/zinc/76/22/22/673762222.db2.gz YELGRCDNZNGFOW-ZIAGYGMSSA-N 1 0 349.439 -1.321 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704392 673762209 /nfs/dbraw/zinc/76/22/09/673762209.db2.gz ZHVQLTWWPSXRDE-NEPJUHHUSA-N 1 0 336.396 -1.030 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704397 673762171 /nfs/dbraw/zinc/76/21/71/673762171.db2.gz ZHVQLTWWPSXRDE-NWDGAFQWSA-N 1 0 336.396 -1.030 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704399 673762238 /nfs/dbraw/zinc/76/22/38/673762238.db2.gz ZHVQLTWWPSXRDE-RYUDHWBXSA-N 1 0 336.396 -1.030 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001044704400 673762224 /nfs/dbraw/zinc/76/22/24/673762224.db2.gz ZHVQLTWWPSXRDE-VXGBXAGGSA-N 1 0 336.396 -1.030 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044706182 673762725 /nfs/dbraw/zinc/76/27/25/673762725.db2.gz ANVWKOGLRDPDHR-GHMZBOCLSA-N 1 0 336.400 -1.182 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044706183 673762752 /nfs/dbraw/zinc/76/27/52/673762752.db2.gz ANVWKOGLRDPDHR-MNOVXSKESA-N 1 0 336.400 -1.182 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044706184 673762846 /nfs/dbraw/zinc/76/28/46/673762846.db2.gz ANVWKOGLRDPDHR-QWRGUYRKSA-N 1 0 336.400 -1.182 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044706185 673762858 /nfs/dbraw/zinc/76/28/58/673762858.db2.gz ANVWKOGLRDPDHR-WDEREUQCSA-N 1 0 336.400 -1.182 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044709434 673762983 /nfs/dbraw/zinc/76/29/83/673762983.db2.gz QGUASIBVLLLLGO-GHMZBOCLSA-N 1 0 349.395 -1.058 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044709438 673763190 /nfs/dbraw/zinc/76/31/90/673763190.db2.gz QGUASIBVLLLLGO-MNOVXSKESA-N 1 0 349.395 -1.058 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044709440 673763170 /nfs/dbraw/zinc/76/31/70/673763170.db2.gz QGUASIBVLLLLGO-QWRGUYRKSA-N 1 0 349.395 -1.058 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001044709442 673763126 /nfs/dbraw/zinc/76/31/26/673763126.db2.gz QGUASIBVLLLLGO-WDEREUQCSA-N 1 0 349.395 -1.058 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044710148 673762984 /nfs/dbraw/zinc/76/29/84/673762984.db2.gz CTLGJNBUAQIGPJ-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044710149 673763074 /nfs/dbraw/zinc/76/30/74/673763074.db2.gz CTLGJNBUAQIGPJ-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO Cn1cncc1CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044715408 673764051 /nfs/dbraw/zinc/76/40/51/673764051.db2.gz WWXUXSGZZSNROF-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cncc1CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044715431 673763959 /nfs/dbraw/zinc/76/39/59/673763959.db2.gz XOTJCUVHSURWSS-CYBMUJFWSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044715432 673763930 /nfs/dbraw/zinc/76/39/30/673763930.db2.gz XOTJCUVHSURWSS-ZDUSSCGKSA-N 1 0 349.435 -1.006 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)C(N)=O ZINC001044722095 673764309 /nfs/dbraw/zinc/76/43/09/673764309.db2.gz KUFJBMIJYIVTCF-NXEZZACHSA-N 1 0 325.369 -2.601 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)C(N)=O ZINC001044722096 673764314 /nfs/dbraw/zinc/76/43/14/673764314.db2.gz KUFJBMIJYIVTCF-UWVGGRQHSA-N 1 0 325.369 -2.601 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)C(N)=O ZINC001044722097 673764333 /nfs/dbraw/zinc/76/43/33/673764333.db2.gz KUFJBMIJYIVTCF-VHSXEESVSA-N 1 0 325.369 -2.601 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)C(N)=O ZINC001044722098 673764331 /nfs/dbraw/zinc/76/43/31/673764331.db2.gz KUFJBMIJYIVTCF-ZJUUUORDSA-N 1 0 325.369 -2.601 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)C(N)=O ZINC001044722509 669285219 /nfs/dbraw/zinc/28/52/19/669285219.db2.gz NONMSNSHMXBKLU-GHMZBOCLSA-N 1 0 332.426 -1.524 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)C(N)=O ZINC001044722510 669285315 /nfs/dbraw/zinc/28/53/15/669285315.db2.gz NONMSNSHMXBKLU-MNOVXSKESA-N 1 0 332.426 -1.524 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)C(N)=O ZINC001044722511 669285000 /nfs/dbraw/zinc/28/50/00/669285000.db2.gz NONMSNSHMXBKLU-QWRGUYRKSA-N 1 0 332.426 -1.524 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)C(N)=O ZINC001044722512 669285074 /nfs/dbraw/zinc/28/50/74/669285074.db2.gz NONMSNSHMXBKLU-WDEREUQCSA-N 1 0 332.426 -1.524 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CN2CC(=O)NC2=O)C1 ZINC001044724873 673764626 /nfs/dbraw/zinc/76/46/26/673764626.db2.gz DVWNUZZKYSILNQ-UHFFFAOYSA-N 1 0 341.368 -2.821 20 0 EAADRO CCCCCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001044725716 673764973 /nfs/dbraw/zinc/76/49/73/673764973.db2.gz NIFASSSPWRQSOB-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001044726307 673765146 /nfs/dbraw/zinc/76/51/46/673765146.db2.gz MFIRENUEIOJIRX-NXEZZACHSA-N 1 0 347.379 -1.025 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001044726308 673765061 /nfs/dbraw/zinc/76/50/61/673765061.db2.gz MFIRENUEIOJIRX-UWVGGRQHSA-N 1 0 347.379 -1.025 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001044726309 673765195 /nfs/dbraw/zinc/76/51/95/673765195.db2.gz MFIRENUEIOJIRX-VHSXEESVSA-N 1 0 347.379 -1.025 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001044726310 673765269 /nfs/dbraw/zinc/76/52/69/673765269.db2.gz MFIRENUEIOJIRX-ZJUUUORDSA-N 1 0 347.379 -1.025 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)CCN1C(=O)C(N)=O ZINC001044727198 673765163 /nfs/dbraw/zinc/76/51/63/673765163.db2.gz GBSMXQWTKUJLBT-NXEZZACHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)CCN1C(=O)C(N)=O ZINC001044727199 673765093 /nfs/dbraw/zinc/76/50/93/673765093.db2.gz GBSMXQWTKUJLBT-UWVGGRQHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)CCN1C(=O)C(N)=O ZINC001044727200 673765073 /nfs/dbraw/zinc/76/50/73/673765073.db2.gz GBSMXQWTKUJLBT-VHSXEESVSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)CCN1C(=O)C(N)=O ZINC001044727201 673765275 /nfs/dbraw/zinc/76/52/75/673765275.db2.gz GBSMXQWTKUJLBT-ZJUUUORDSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CCN1C(=O)C(N)=O ZINC001044727994 673765208 /nfs/dbraw/zinc/76/52/08/673765208.db2.gz KBJHLPJMUKUBOY-NXEZZACHSA-N 1 0 337.380 -1.962 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CCN1C(=O)C(N)=O ZINC001044727997 673765247 /nfs/dbraw/zinc/76/52/47/673765247.db2.gz KBJHLPJMUKUBOY-UWVGGRQHSA-N 1 0 337.380 -1.962 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CCN1C(=O)C(N)=O ZINC001044727998 673765185 /nfs/dbraw/zinc/76/51/85/673765185.db2.gz KBJHLPJMUKUBOY-VHSXEESVSA-N 1 0 337.380 -1.962 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CCN1C(=O)C(N)=O ZINC001044728000 673765057 /nfs/dbraw/zinc/76/50/57/673765057.db2.gz KBJHLPJMUKUBOY-ZJUUUORDSA-N 1 0 337.380 -1.962 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)C(C)C ZINC001044733989 673765506 /nfs/dbraw/zinc/76/55/06/673765506.db2.gz HDYJUJAVWUHPEU-LLVKDONJSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)C(C)C ZINC001044733991 673765470 /nfs/dbraw/zinc/76/54/70/673765470.db2.gz HDYJUJAVWUHPEU-NSHDSACASA-N 1 0 328.413 -1.472 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2nccn3ccnc23)C1 ZINC001044734728 673765516 /nfs/dbraw/zinc/76/55/16/673765516.db2.gz OSAUOMKTQGEHAM-UHFFFAOYSA-N 1 0 346.391 -1.016 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1)C(C)C ZINC001044735346 673765854 /nfs/dbraw/zinc/76/58/54/673765854.db2.gz XQGXYSUEHUDYAA-AWEZNQCLSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1)C(C)C ZINC001044735348 673765723 /nfs/dbraw/zinc/76/57/23/673765723.db2.gz XQGXYSUEHUDYAA-CQSZACIVSA-N 1 0 342.440 -1.082 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044762153 673766041 /nfs/dbraw/zinc/76/60/41/673766041.db2.gz DYGJEATUJMGNKH-BDAKNGLRSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044762155 673766070 /nfs/dbraw/zinc/76/60/70/673766070.db2.gz DYGJEATUJMGNKH-DTWKUNHWSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044762156 673766013 /nfs/dbraw/zinc/76/60/13/673766013.db2.gz DYGJEATUJMGNKH-IUCAKERBSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044762158 673766044 /nfs/dbraw/zinc/76/60/44/673766044.db2.gz DYGJEATUJMGNKH-RKDXNWHRSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044763518 673766057 /nfs/dbraw/zinc/76/60/57/673766057.db2.gz NPSOHGAUMDRTGR-NEPJUHHUSA-N 1 0 334.380 -1.148 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044763521 673766089 /nfs/dbraw/zinc/76/60/89/673766089.db2.gz NPSOHGAUMDRTGR-NWDGAFQWSA-N 1 0 334.380 -1.148 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044763522 673766037 /nfs/dbraw/zinc/76/60/37/673766037.db2.gz NPSOHGAUMDRTGR-RYUDHWBXSA-N 1 0 334.380 -1.148 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044763523 673766047 /nfs/dbraw/zinc/76/60/47/673766047.db2.gz NPSOHGAUMDRTGR-VXGBXAGGSA-N 1 0 334.380 -1.148 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044764389 673766056 /nfs/dbraw/zinc/76/60/56/673766056.db2.gz SXUALKJKAVIZPX-GHMZBOCLSA-N 1 0 347.379 -1.655 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044764392 673766139 /nfs/dbraw/zinc/76/61/39/673766139.db2.gz SXUALKJKAVIZPX-MNOVXSKESA-N 1 0 347.379 -1.655 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044764395 673766152 /nfs/dbraw/zinc/76/61/52/673766152.db2.gz SXUALKJKAVIZPX-QWRGUYRKSA-N 1 0 347.379 -1.655 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001044764398 673766128 /nfs/dbraw/zinc/76/61/28/673766128.db2.gz SXUALKJKAVIZPX-WDEREUQCSA-N 1 0 347.379 -1.655 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044764505 673766022 /nfs/dbraw/zinc/76/60/22/673766022.db2.gz UILCJUVAMTTWMP-NXEZZACHSA-N 1 0 326.353 -1.632 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044764507 673766126 /nfs/dbraw/zinc/76/61/26/673766126.db2.gz UILCJUVAMTTWMP-UWVGGRQHSA-N 1 0 326.353 -1.632 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044764508 673766319 /nfs/dbraw/zinc/76/63/19/673766319.db2.gz UILCJUVAMTTWMP-VHSXEESVSA-N 1 0 326.353 -1.632 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001044764510 673766764 /nfs/dbraw/zinc/76/67/64/673766764.db2.gz UILCJUVAMTTWMP-ZJUUUORDSA-N 1 0 326.353 -1.632 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001044765160 673766787 /nfs/dbraw/zinc/76/67/87/673766787.db2.gz WNTKJOQSGUGXLF-NXEZZACHSA-N 1 0 337.380 -1.848 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001044765161 673766384 /nfs/dbraw/zinc/76/63/84/673766384.db2.gz WNTKJOQSGUGXLF-UWVGGRQHSA-N 1 0 337.380 -1.848 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001044765162 673766789 /nfs/dbraw/zinc/76/67/89/673766789.db2.gz WNTKJOQSGUGXLF-VHSXEESVSA-N 1 0 337.380 -1.848 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001044765165 673766483 /nfs/dbraw/zinc/76/64/83/673766483.db2.gz WNTKJOQSGUGXLF-ZJUUUORDSA-N 1 0 337.380 -1.848 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1)c1nnc[nH]1 ZINC001044770407 673766486 /nfs/dbraw/zinc/76/64/86/673766486.db2.gz BIWHRDRMWWGJMZ-UHFFFAOYSA-N 1 0 334.380 -1.264 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044773694 673767192 /nfs/dbraw/zinc/76/71/92/673767192.db2.gz CDGRPLJIMGGXOJ-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044773695 673767030 /nfs/dbraw/zinc/76/70/30/673767030.db2.gz CDGRPLJIMGGXOJ-MNOVXSKESA-N 1 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ZINC001044773736 673767108 /nfs/dbraw/zinc/76/71/08/673767108.db2.gz CIETVBIZYWTRJZ-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001044774871 673767144 /nfs/dbraw/zinc/76/71/44/673767144.db2.gz IKWSEFCJOJXNJF-GHMZBOCLSA-N 1 0 337.380 -1.619 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001044774872 673767187 /nfs/dbraw/zinc/76/71/87/673767187.db2.gz IKWSEFCJOJXNJF-MNOVXSKESA-N 1 0 337.380 -1.619 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001044774873 673767114 /nfs/dbraw/zinc/76/71/14/673767114.db2.gz IKWSEFCJOJXNJF-QWRGUYRKSA-N 1 0 337.380 -1.619 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001044774874 673766993 /nfs/dbraw/zinc/76/69/93/673766993.db2.gz IKWSEFCJOJXNJF-WDEREUQCSA-N 1 0 337.380 -1.619 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cnn(C)n1 ZINC001044775427 673767241 /nfs/dbraw/zinc/76/72/41/673767241.db2.gz SEDREIKJIFGTCI-GHMZBOCLSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cnn(C)n1 ZINC001044775429 673766959 /nfs/dbraw/zinc/76/69/59/673766959.db2.gz SEDREIKJIFGTCI-MNOVXSKESA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cnn(C)n1 ZINC001044775430 673767087 /nfs/dbraw/zinc/76/70/87/673767087.db2.gz SEDREIKJIFGTCI-QWRGUYRKSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cnn(C)n1 ZINC001044775432 673767180 /nfs/dbraw/zinc/76/71/80/673767180.db2.gz SEDREIKJIFGTCI-WDEREUQCSA-N 1 0 349.395 -1.050 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044775521 673767100 /nfs/dbraw/zinc/76/71/00/673767100.db2.gz BSFUIUAMHGOIFC-UHFFFAOYSA-N 1 0 326.357 -2.314 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044775796 673767068 /nfs/dbraw/zinc/76/70/68/673767068.db2.gz LYYNQMSBRYFYFK-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044775798 673767110 /nfs/dbraw/zinc/76/71/10/673767110.db2.gz LYYNQMSBRYFYFK-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044775803 673767160 /nfs/dbraw/zinc/76/71/60/673767160.db2.gz LYYNQMSBRYFYFK-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044775808 673767236 /nfs/dbraw/zinc/76/72/36/673767236.db2.gz LYYNQMSBRYFYFK-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001044776168 673767622 /nfs/dbraw/zinc/76/76/22/673767622.db2.gz IRXUXFBUHCZOGW-UHFFFAOYSA-N 1 0 336.396 -1.160 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044776309 673767578 /nfs/dbraw/zinc/76/75/78/673767578.db2.gz JWSCCXLCBKFKQN-UHFFFAOYSA-N 1 0 345.363 -1.117 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044776310 673767587 /nfs/dbraw/zinc/76/75/87/673767587.db2.gz NUAOJMTVJXVMTA-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044776312 673767648 /nfs/dbraw/zinc/76/76/48/673767648.db2.gz NUAOJMTVJXVMTA-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044776315 673767559 /nfs/dbraw/zinc/76/75/59/673767559.db2.gz NUAOJMTVJXVMTA-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044776318 673767504 /nfs/dbraw/zinc/76/75/04/673767504.db2.gz NUAOJMTVJXVMTA-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)CC1 ZINC001044777497 673768105 /nfs/dbraw/zinc/76/81/05/673768105.db2.gz XIMPESGNESZDAX-UHFFFAOYSA-N 1 0 336.396 -1.160 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044777553 673768763 /nfs/dbraw/zinc/76/87/63/673768763.db2.gz YIYOWAOZDPAQOY-LLVKDONJSA-N 1 0 336.396 -1.019 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044777555 673768773 /nfs/dbraw/zinc/76/87/73/673768773.db2.gz YIYOWAOZDPAQOY-NSHDSACASA-N 1 0 336.396 -1.019 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044777888 673768455 /nfs/dbraw/zinc/76/84/55/673768455.db2.gz UPHWBKMOLNEZCG-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044777889 673768631 /nfs/dbraw/zinc/76/86/31/673768631.db2.gz UPHWBKMOLNEZCG-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044777890 673768643 /nfs/dbraw/zinc/76/86/43/673768643.db2.gz UPHWBKMOLNEZCG-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044777891 673768686 /nfs/dbraw/zinc/76/86/86/673768686.db2.gz UPHWBKMOLNEZCG-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044778469 673768589 /nfs/dbraw/zinc/76/85/89/673768589.db2.gz YTQSOKINUIRKNB-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044778471 673768475 /nfs/dbraw/zinc/76/84/75/673768475.db2.gz YTQSOKINUIRKNB-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044778472 673768708 /nfs/dbraw/zinc/76/87/08/673768708.db2.gz YTQSOKINUIRKNB-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001044778473 673768619 /nfs/dbraw/zinc/76/86/19/673768619.db2.gz YTQSOKINUIRKNB-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001044778825 673768675 /nfs/dbraw/zinc/76/86/75/673768675.db2.gz MARWBRVPCHHKJI-UTUOFQBUSA-N 1 0 346.395 -1.331 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001044779034 673768737 /nfs/dbraw/zinc/76/87/37/673768737.db2.gz QZWFAEVVCUUFLQ-UTUOFQBUSA-N 1 0 346.395 -1.331 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001044779450 673768538 /nfs/dbraw/zinc/76/85/38/673768538.db2.gz GDADVTZFRREDPK-GXSJLCMTSA-N 1 0 349.395 -1.268 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001044779451 673768667 /nfs/dbraw/zinc/76/86/67/673768667.db2.gz GDADVTZFRREDPK-KOLCDFICSA-N 1 0 349.395 -1.268 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001044779452 673768479 /nfs/dbraw/zinc/76/84/79/673768479.db2.gz GDADVTZFRREDPK-MWLCHTKSSA-N 1 0 349.395 -1.268 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001044779453 673769221 /nfs/dbraw/zinc/76/92/21/673769221.db2.gz GDADVTZFRREDPK-ONGXEEELSA-N 1 0 349.395 -1.268 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)c1nnc[nH]1 ZINC001044781533 673769285 /nfs/dbraw/zinc/76/92/85/673769285.db2.gz DFZLHCSVJZPXLL-GFCCVEGCSA-N 1 0 348.407 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)c1nnc[nH]1 ZINC001044781535 673769224 /nfs/dbraw/zinc/76/92/24/673769224.db2.gz DFZLHCSVJZPXLL-LBPRGKRZSA-N 1 0 348.407 -1.018 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044781540 673769025 /nfs/dbraw/zinc/76/90/25/673769025.db2.gz DIVWXIHAYHTYQH-JTQLQIEISA-N 1 0 342.375 -1.212 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044781543 673769159 /nfs/dbraw/zinc/76/91/59/673769159.db2.gz DIVWXIHAYHTYQH-SNVBAGLBSA-N 1 0 342.375 -1.212 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1nc[nH]n1 ZINC001044781981 673769037 /nfs/dbraw/zinc/76/90/37/673769037.db2.gz MVTKKOSFJBZESF-NXEZZACHSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1nc[nH]n1 ZINC001044781983 673769157 /nfs/dbraw/zinc/76/91/57/673769157.db2.gz MVTKKOSFJBZESF-UWVGGRQHSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1nc[nH]n1 ZINC001044781985 673769320 /nfs/dbraw/zinc/76/93/20/673769320.db2.gz MVTKKOSFJBZESF-VHSXEESVSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1nc[nH]n1 ZINC001044781988 673768957 /nfs/dbraw/zinc/76/89/57/673768957.db2.gz MVTKKOSFJBZESF-ZJUUUORDSA-N 1 0 335.368 -1.061 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)CC[N@@H+]1C ZINC001044782184 673769586 /nfs/dbraw/zinc/76/95/86/673769586.db2.gz LBSKZYVLPAXKTG-WDEREUQCSA-N 1 0 336.396 -1.162 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)c1nnc[nH]1 ZINC001044782237 673769937 /nfs/dbraw/zinc/76/99/37/673769937.db2.gz MQCBZVQXKJUWMM-LLVKDONJSA-N 1 0 334.380 -1.550 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)c1nnc[nH]1 ZINC001044782238 673769712 /nfs/dbraw/zinc/76/97/12/673769712.db2.gz MQCBZVQXKJUWMM-NSHDSACASA-N 1 0 334.380 -1.550 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1)c1nnc[nH]1 ZINC001044782530 673769908 /nfs/dbraw/zinc/76/99/08/673769908.db2.gz MRDHLDDVCMZEAQ-NEPJUHHUSA-N 1 0 348.407 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1)c1nnc[nH]1 ZINC001044782532 673769540 /nfs/dbraw/zinc/76/95/40/673769540.db2.gz MRDHLDDVCMZEAQ-NWDGAFQWSA-N 1 0 348.407 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1)c1nnc[nH]1 ZINC001044782534 673769604 /nfs/dbraw/zinc/76/96/04/673769604.db2.gz MRDHLDDVCMZEAQ-RYUDHWBXSA-N 1 0 348.407 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1)c1nnc[nH]1 ZINC001044782537 673769955 /nfs/dbraw/zinc/76/99/55/673769955.db2.gz MRDHLDDVCMZEAQ-VXGBXAGGSA-N 1 0 348.407 -1.018 20 0 EAADRO CC1CC[NH+](CC(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)CC1 ZINC001044782609 673769796 /nfs/dbraw/zinc/76/97/96/673769796.db2.gz NSIPYHZEVINUBU-UHFFFAOYSA-N 1 0 336.396 -1.160 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044782667 673769940 /nfs/dbraw/zinc/76/99/40/673769940.db2.gz PIPMLHVGBMKESR-LLVKDONJSA-N 1 0 336.396 -1.018 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044782668 673769982 /nfs/dbraw/zinc/76/99/82/673769982.db2.gz PIPMLHVGBMKESR-NSHDSACASA-N 1 0 336.396 -1.018 20 0 EAADRO O=C(CC[NH+]1CCCCC1)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044782967 673770290 /nfs/dbraw/zinc/77/02/90/673770290.db2.gz SNAZJGJUXZQXJM-UHFFFAOYSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1nc[nH]n1 ZINC001044783357 673770347 /nfs/dbraw/zinc/77/03/47/673770347.db2.gz QRCGMNDFPYMFSK-GHMZBOCLSA-N 1 0 349.395 -1.654 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1nc[nH]n1 ZINC001044783359 673770334 /nfs/dbraw/zinc/77/03/34/673770334.db2.gz QRCGMNDFPYMFSK-MNOVXSKESA-N 1 0 349.395 -1.654 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1nc[nH]n1 ZINC001044783361 673770202 /nfs/dbraw/zinc/77/02/02/673770202.db2.gz QRCGMNDFPYMFSK-QWRGUYRKSA-N 1 0 349.395 -1.654 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)c1nc[nH]n1 ZINC001044783363 673770380 /nfs/dbraw/zinc/77/03/80/673770380.db2.gz QRCGMNDFPYMFSK-WDEREUQCSA-N 1 0 349.395 -1.654 20 0 EAADRO O=C(CCC[NH+]1CCCC1)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044783524 673770206 /nfs/dbraw/zinc/77/02/06/673770206.db2.gz ZDAALOGMGRTPDM-UHFFFAOYSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044783542 673770283 /nfs/dbraw/zinc/77/02/83/673770283.db2.gz ZUKKROFHEKJOAV-GHMZBOCLSA-N 1 0 336.396 -1.019 20 0 EAADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044783543 673770160 /nfs/dbraw/zinc/77/01/60/673770160.db2.gz ZUKKROFHEKJOAV-PHIMTYICSA-N 1 0 336.396 -1.019 20 0 EAADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044783544 673770287 /nfs/dbraw/zinc/77/02/87/673770287.db2.gz ZUKKROFHEKJOAV-QWRGUYRKSA-N 1 0 336.396 -1.019 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)CC[N@@H+]1C ZINC001044788771 673770590 /nfs/dbraw/zinc/77/05/90/673770590.db2.gz COESILRRHSPHOG-QWRGUYRKSA-N 1 0 336.396 -1.162 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044788790 673770732 /nfs/dbraw/zinc/77/07/32/673770732.db2.gz CXTZODVLQRDBQU-LLVKDONJSA-N 1 0 336.396 -1.018 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044788791 673770600 /nfs/dbraw/zinc/77/06/00/673770600.db2.gz CXTZODVLQRDBQU-NSHDSACASA-N 1 0 336.396 -1.018 20 0 EAADRO CC(C)(C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1)[NH+]1CCCC1 ZINC001044789152 673770762 /nfs/dbraw/zinc/77/07/62/673770762.db2.gz HKASFDDHQMACNP-UHFFFAOYSA-N 1 0 336.396 -1.018 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044789241 673771223 /nfs/dbraw/zinc/77/12/23/673771223.db2.gz JEHNISPMKDYCMF-LLVKDONJSA-N 1 0 336.396 -1.018 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044789242 673771272 /nfs/dbraw/zinc/77/12/72/673771272.db2.gz JEHNISPMKDYCMF-NSHDSACASA-N 1 0 336.396 -1.018 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)c1nnc[nH]1 ZINC001044789565 673771384 /nfs/dbraw/zinc/77/13/84/673771384.db2.gz NZMNMNAASAFNHT-UHFFFAOYSA-N 1 0 348.407 -1.016 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCn1cnnn1 ZINC001044794288 673771720 /nfs/dbraw/zinc/77/17/20/673771720.db2.gz VEBUAHBTFYOPRT-GHMZBOCLSA-N 1 0 349.399 -1.346 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCn1cnnn1 ZINC001044794290 673771674 /nfs/dbraw/zinc/77/16/74/673771674.db2.gz VEBUAHBTFYOPRT-MNOVXSKESA-N 1 0 349.399 -1.346 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCn1cnnn1 ZINC001044794291 673771605 /nfs/dbraw/zinc/77/16/05/673771605.db2.gz VEBUAHBTFYOPRT-QWRGUYRKSA-N 1 0 349.399 -1.346 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCn1cnnn1 ZINC001044794292 673771680 /nfs/dbraw/zinc/77/16/80/673771680.db2.gz VEBUAHBTFYOPRT-WDEREUQCSA-N 1 0 349.399 -1.346 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC001044795048 669315446 /nfs/dbraw/zinc/31/54/46/669315446.db2.gz ZMJKUQFXPRADCW-GHMZBOCLSA-N 1 0 334.388 -1.244 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC001044795049 673771642 /nfs/dbraw/zinc/77/16/42/673771642.db2.gz ZMJKUQFXPRADCW-MNOVXSKESA-N 1 0 334.388 -1.244 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC001044795050 673771592 /nfs/dbraw/zinc/77/15/92/673771592.db2.gz ZMJKUQFXPRADCW-QWRGUYRKSA-N 1 0 334.388 -1.244 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC001044795051 673771684 /nfs/dbraw/zinc/77/16/84/673771684.db2.gz ZMJKUQFXPRADCW-WDEREUQCSA-N 1 0 334.388 -1.244 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001044811270 673772036 /nfs/dbraw/zinc/77/20/36/673772036.db2.gz ZWOQULQGICCSJU-NXEZZACHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001044811273 673771990 /nfs/dbraw/zinc/77/19/90/673771990.db2.gz ZWOQULQGICCSJU-UWVGGRQHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001044811275 673771896 /nfs/dbraw/zinc/77/18/96/673771896.db2.gz ZWOQULQGICCSJU-VHSXEESVSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001044811277 673771889 /nfs/dbraw/zinc/77/18/89/673771889.db2.gz ZWOQULQGICCSJU-ZJUUUORDSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817116 673772330 /nfs/dbraw/zinc/77/23/30/673772330.db2.gz RRCLOVWUVDGOIV-GHMZBOCLSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817119 673772156 /nfs/dbraw/zinc/77/21/56/673772156.db2.gz RRCLOVWUVDGOIV-MNOVXSKESA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817122 673772230 /nfs/dbraw/zinc/77/22/30/673772230.db2.gz RRCLOVWUVDGOIV-QWRGUYRKSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817125 673772144 /nfs/dbraw/zinc/77/21/44/673772144.db2.gz RRCLOVWUVDGOIV-WDEREUQCSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817203 673772273 /nfs/dbraw/zinc/77/22/73/673772273.db2.gz SFSWXMYOYPABQY-NXEZZACHSA-N 1 0 334.384 -1.062 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817208 673772310 /nfs/dbraw/zinc/77/23/10/673772310.db2.gz SFSWXMYOYPABQY-UWVGGRQHSA-N 1 0 334.384 -1.062 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817211 673772247 /nfs/dbraw/zinc/77/22/47/673772247.db2.gz SFSWXMYOYPABQY-VHSXEESVSA-N 1 0 334.384 -1.062 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1nnc[nH]1 ZINC001044817214 673772178 /nfs/dbraw/zinc/77/21/78/673772178.db2.gz SFSWXMYOYPABQY-ZJUUUORDSA-N 1 0 334.384 -1.062 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(=O)NC1=O ZINC001044818197 673772342 /nfs/dbraw/zinc/77/23/42/673772342.db2.gz USFUIDLAJSRQGU-NXEZZACHSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(=O)NC1=O ZINC001044818198 673772335 /nfs/dbraw/zinc/77/23/35/673772335.db2.gz USFUIDLAJSRQGU-UWVGGRQHSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(=O)NC1=O ZINC001044818199 673772299 /nfs/dbraw/zinc/77/22/99/673772299.db2.gz USFUIDLAJSRQGU-VHSXEESVSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(=O)NC1=O ZINC001044818200 673772226 /nfs/dbraw/zinc/77/22/26/673772226.db2.gz USFUIDLAJSRQGU-ZJUUUORDSA-N 1 0 325.369 -1.617 20 0 EAADRO COc1c(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C[C@H]2C)[nH]c(=O)[nH]c1=O ZINC001044818836 673772281 /nfs/dbraw/zinc/77/22/81/673772281.db2.gz UPZKSAGPTFXVBY-HTQZYQBOSA-N 1 0 339.352 -1.036 20 0 EAADRO COc1c(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C[C@@H]2C)[nH]c(=O)[nH]c1=O ZINC001044818837 673772171 /nfs/dbraw/zinc/77/21/71/673772171.db2.gz UPZKSAGPTFXVBY-JGVFFNPUSA-N 1 0 339.352 -1.036 20 0 EAADRO COc1c(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C[C@H]2C)[nH]c(=O)[nH]c1=O ZINC001044818839 673772321 /nfs/dbraw/zinc/77/23/21/673772321.db2.gz UPZKSAGPTFXVBY-SFYZADRCSA-N 1 0 339.352 -1.036 20 0 EAADRO COc1c(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C[C@@H]2C)[nH]c(=O)[nH]c1=O ZINC001044818840 673772151 /nfs/dbraw/zinc/77/21/51/673772151.db2.gz UPZKSAGPTFXVBY-YUMQZZPRSA-N 1 0 339.352 -1.036 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001044818850 673772327 /nfs/dbraw/zinc/77/23/27/673772327.db2.gz UXCPNNDXUKWPST-NXEZZACHSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001044818851 673772209 /nfs/dbraw/zinc/77/22/09/673772209.db2.gz UXCPNNDXUKWPST-UWVGGRQHSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001044818852 673772240 /nfs/dbraw/zinc/77/22/40/673772240.db2.gz UXCPNNDXUKWPST-VHSXEESVSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001044818853 673772351 /nfs/dbraw/zinc/77/23/51/673772351.db2.gz UXCPNNDXUKWPST-ZJUUUORDSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001044821754 673772690 /nfs/dbraw/zinc/77/26/90/673772690.db2.gz ZZWYKOQXGJMUOD-BDAKNGLRSA-N 1 0 333.352 -1.514 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001044821755 673772654 /nfs/dbraw/zinc/77/26/54/673772654.db2.gz ZZWYKOQXGJMUOD-DTWKUNHWSA-N 1 0 333.352 -1.514 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001044821756 673772536 /nfs/dbraw/zinc/77/25/36/673772536.db2.gz ZZWYKOQXGJMUOD-IUCAKERBSA-N 1 0 333.352 -1.514 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001044821757 673772468 /nfs/dbraw/zinc/77/24/68/673772468.db2.gz ZZWYKOQXGJMUOD-RKDXNWHRSA-N 1 0 333.352 -1.514 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001044844489 673772574 /nfs/dbraw/zinc/77/25/74/673772574.db2.gz KUEBNBGWQWAQHR-NXEZZACHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001044844490 673772649 /nfs/dbraw/zinc/77/26/49/673772649.db2.gz KUEBNBGWQWAQHR-UWVGGRQHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001044844491 673772524 /nfs/dbraw/zinc/77/25/24/673772524.db2.gz KUEBNBGWQWAQHR-VHSXEESVSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001044844492 673772590 /nfs/dbraw/zinc/77/25/90/673772590.db2.gz KUEBNBGWQWAQHR-ZJUUUORDSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cncn1 ZINC001044846370 673772581 /nfs/dbraw/zinc/77/25/81/673772581.db2.gz KKXVYJOFXFPSHD-GHMZBOCLSA-N 1 0 334.384 -1.131 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cncn1 ZINC001044846371 673772617 /nfs/dbraw/zinc/77/26/17/673772617.db2.gz KKXVYJOFXFPSHD-MNOVXSKESA-N 1 0 334.384 -1.131 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cncn1 ZINC001044846372 673772612 /nfs/dbraw/zinc/77/26/12/673772612.db2.gz KKXVYJOFXFPSHD-QWRGUYRKSA-N 1 0 334.384 -1.131 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cn1cncn1 ZINC001044846373 673772664 /nfs/dbraw/zinc/77/26/64/673772664.db2.gz KKXVYJOFXFPSHD-WDEREUQCSA-N 1 0 334.384 -1.131 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044847851 673772542 /nfs/dbraw/zinc/77/25/42/673772542.db2.gz DUXIKJMCIJARCD-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044847852 673772548 /nfs/dbraw/zinc/77/25/48/673772548.db2.gz DUXIKJMCIJARCD-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044847854 673772443 /nfs/dbraw/zinc/77/24/43/673772443.db2.gz DUXIKJMCIJARCD-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044847855 673772568 /nfs/dbraw/zinc/77/25/68/673772568.db2.gz DUXIKJMCIJARCD-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044848697 673772465 /nfs/dbraw/zinc/77/24/65/673772465.db2.gz KJSROJVYNGODSO-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044848698 673772660 /nfs/dbraw/zinc/77/26/60/673772660.db2.gz KJSROJVYNGODSO-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044848699 673772629 /nfs/dbraw/zinc/77/26/29/673772629.db2.gz KJSROJVYNGODSO-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044848700 673772682 /nfs/dbraw/zinc/77/26/82/673772682.db2.gz KJSROJVYNGODSO-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044849161 673772686 /nfs/dbraw/zinc/77/26/86/673772686.db2.gz NHQXNJJPXWPTCG-NEPJUHHUSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044849162 673772651 /nfs/dbraw/zinc/77/26/51/673772651.db2.gz NHQXNJJPXWPTCG-NWDGAFQWSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044849163 673772635 /nfs/dbraw/zinc/77/26/35/673772635.db2.gz NHQXNJJPXWPTCG-RYUDHWBXSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044849164 673772632 /nfs/dbraw/zinc/77/26/32/673772632.db2.gz NHQXNJJPXWPTCG-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001044849953 673772946 /nfs/dbraw/zinc/77/29/46/673772946.db2.gz QYBCQTXPLQPZHZ-NXEZZACHSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001044849954 673772951 /nfs/dbraw/zinc/77/29/51/673772951.db2.gz QYBCQTXPLQPZHZ-UWVGGRQHSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001044849955 673772987 /nfs/dbraw/zinc/77/29/87/673772987.db2.gz QYBCQTXPLQPZHZ-VHSXEESVSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001044849956 673772936 /nfs/dbraw/zinc/77/29/36/673772936.db2.gz QYBCQTXPLQPZHZ-ZJUUUORDSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044850269 669341057 /nfs/dbraw/zinc/34/10/57/669341057.db2.gz SENXDJFFAKFSHZ-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044850270 673772876 /nfs/dbraw/zinc/77/28/76/673772876.db2.gz SENXDJFFAKFSHZ-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044850271 673772830 /nfs/dbraw/zinc/77/28/30/673772830.db2.gz SENXDJFFAKFSHZ-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044850272 673773000 /nfs/dbraw/zinc/77/30/00/673773000.db2.gz SENXDJFFAKFSHZ-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851084 673772969 /nfs/dbraw/zinc/77/29/69/673772969.db2.gz XOPBFKIOSXXHPA-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851085 673772974 /nfs/dbraw/zinc/77/29/74/673772974.db2.gz XOPBFKIOSXXHPA-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851086 673772938 /nfs/dbraw/zinc/77/29/38/673772938.db2.gz XOPBFKIOSXXHPA-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851087 673772957 /nfs/dbraw/zinc/77/29/57/673772957.db2.gz XOPBFKIOSXXHPA-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851177 673772980 /nfs/dbraw/zinc/77/29/80/673772980.db2.gz YOHNUWSXBJQZAZ-GHMZBOCLSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851178 673772850 /nfs/dbraw/zinc/77/28/50/673772850.db2.gz YOHNUWSXBJQZAZ-MNOVXSKESA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851179 673772902 /nfs/dbraw/zinc/77/29/02/673772902.db2.gz YOHNUWSXBJQZAZ-QWRGUYRKSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001044851180 673772884 /nfs/dbraw/zinc/77/28/84/673772884.db2.gz YOHNUWSXBJQZAZ-WDEREUQCSA-N 1 0 349.395 -1.164 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1C(=O)CCC1=O ZINC001044851258 673772873 /nfs/dbraw/zinc/77/28/73/673772873.db2.gz ZMEQSNRWKZXPIU-GHMZBOCLSA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1C(=O)CCC1=O ZINC001044851261 673772931 /nfs/dbraw/zinc/77/29/31/673772931.db2.gz ZMEQSNRWKZXPIU-MNOVXSKESA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1C(=O)CCC1=O ZINC001044851263 673772870 /nfs/dbraw/zinc/77/28/70/673772870.db2.gz ZMEQSNRWKZXPIU-QWRGUYRKSA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1C(=O)CCC1=O ZINC001044851267 673772863 /nfs/dbraw/zinc/77/28/63/673772863.db2.gz ZMEQSNRWKZXPIU-WDEREUQCSA-N 1 0 349.395 -1.172 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cn1cncn1 ZINC001044852338 673772990 /nfs/dbraw/zinc/77/29/90/673772990.db2.gz HUHQHKXBVZFXIN-NEPJUHHUSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cn1cncn1 ZINC001044852339 673772998 /nfs/dbraw/zinc/77/29/98/673772998.db2.gz HUHQHKXBVZFXIN-NWDGAFQWSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cn1cncn1 ZINC001044852340 673772925 /nfs/dbraw/zinc/77/29/25/673772925.db2.gz HUHQHKXBVZFXIN-RYUDHWBXSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cn1cncn1 ZINC001044852341 673772854 /nfs/dbraw/zinc/77/28/54/673772854.db2.gz HUHQHKXBVZFXIN-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044860888 673773167 /nfs/dbraw/zinc/77/31/67/673773167.db2.gz LJBWAIYQOIIBCV-NEPJUHHUSA-N 1 0 346.453 -1.829 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044860889 673773177 /nfs/dbraw/zinc/77/31/77/673773177.db2.gz LJBWAIYQOIIBCV-NWDGAFQWSA-N 1 0 346.453 -1.829 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044860890 673773175 /nfs/dbraw/zinc/77/31/75/673773175.db2.gz LJBWAIYQOIIBCV-RYUDHWBXSA-N 1 0 346.453 -1.829 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044860891 673773162 /nfs/dbraw/zinc/77/31/62/673773162.db2.gz LJBWAIYQOIIBCV-VXGBXAGGSA-N 1 0 346.453 -1.829 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044862670 673773255 /nfs/dbraw/zinc/77/32/55/673773255.db2.gz ZHNJXTPECVEDAJ-CHWSQXEVSA-N 1 0 333.454 -1.322 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044862671 673773190 /nfs/dbraw/zinc/77/31/90/673773190.db2.gz ZHNJXTPECVEDAJ-OLZOCXBDSA-N 1 0 333.454 -1.322 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044862672 673773176 /nfs/dbraw/zinc/77/31/76/673773176.db2.gz ZHNJXTPECVEDAJ-QWHCGFSZSA-N 1 0 333.454 -1.322 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001044862673 673773205 /nfs/dbraw/zinc/77/32/05/673773205.db2.gz ZHNJXTPECVEDAJ-STQMWFEESA-N 1 0 333.454 -1.322 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001044874274 669347215 /nfs/dbraw/zinc/34/72/15/669347215.db2.gz BOVNVRBTVCJJOX-NXEZZACHSA-N 1 0 348.367 -1.071 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001044874275 669347360 /nfs/dbraw/zinc/34/73/60/669347360.db2.gz BOVNVRBTVCJJOX-UWVGGRQHSA-N 1 0 348.367 -1.071 20 0 EAADRO C[C@H]1C[C@H]([NH2+]Cc2cnon2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001044874276 669347105 /nfs/dbraw/zinc/34/71/05/669347105.db2.gz BOVNVRBTVCJJOX-VHSXEESVSA-N 1 0 348.367 -1.071 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001044874277 669347274 /nfs/dbraw/zinc/34/72/74/669347274.db2.gz BOVNVRBTVCJJOX-ZJUUUORDSA-N 1 0 348.367 -1.071 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001044878825 673773590 /nfs/dbraw/zinc/77/35/90/673773590.db2.gz NJPHLVGICLDRKY-NEPJUHHUSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001044878828 673773509 /nfs/dbraw/zinc/77/35/09/673773509.db2.gz NJPHLVGICLDRKY-NWDGAFQWSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001044878830 673773512 /nfs/dbraw/zinc/77/35/12/673773512.db2.gz NJPHLVGICLDRKY-RYUDHWBXSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001044878832 673773516 /nfs/dbraw/zinc/77/35/16/673773516.db2.gz NJPHLVGICLDRKY-VXGBXAGGSA-N 1 0 338.412 -1.059 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)nc1=O ZINC001044908856 673773491 /nfs/dbraw/zinc/77/34/91/673773491.db2.gz JSCBKTBNHJXNIW-VIFPVBQESA-N 1 0 333.352 -1.002 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001044915788 673773533 /nfs/dbraw/zinc/77/35/33/673773533.db2.gz UJLKTIJNYCUPDJ-NEPJUHHUSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001044915789 673773485 /nfs/dbraw/zinc/77/34/85/673773485.db2.gz UJLKTIJNYCUPDJ-RYUDHWBXSA-N 1 0 342.425 -1.312 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2=O)nc1=O ZINC001044918090 673773904 /nfs/dbraw/zinc/77/39/04/673773904.db2.gz JEOSFPZNZZKUKF-NSHDSACASA-N 1 0 336.396 -1.189 20 0 EAADRO O=C(CN1CCCC1=O)N1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001044918811 673773810 /nfs/dbraw/zinc/77/38/10/673773810.db2.gz YAXVMRSRKWEQRK-NWDGAFQWSA-N 1 0 336.392 -1.005 20 0 EAADRO O=C(CN1CCCC1=O)N1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001044918812 673773895 /nfs/dbraw/zinc/77/38/95/673773895.db2.gz YAXVMRSRKWEQRK-RYUDHWBXSA-N 1 0 336.392 -1.005 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001044927003 673773860 /nfs/dbraw/zinc/77/38/60/673773860.db2.gz BWIWRYLLSMLHAE-UHFFFAOYSA-N 1 0 339.400 -1.755 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001044927020 673773791 /nfs/dbraw/zinc/77/37/91/673773791.db2.gz CGTGVPYVPKDXTC-UHFFFAOYSA-N 1 0 325.373 -2.145 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001044927242 673773931 /nfs/dbraw/zinc/77/39/31/673773931.db2.gz DZIZFRNJHIZRID-UHFFFAOYSA-N 1 0 325.373 -2.145 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001044927513 673774150 /nfs/dbraw/zinc/77/41/50/673774150.db2.gz JAOIBZFSVIHLFV-UHFFFAOYSA-N 1 0 335.368 -2.391 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001044927580 673774236 /nfs/dbraw/zinc/77/42/36/673774236.db2.gz JWOFHPNDIAPNMF-SECBINFHSA-N 1 0 339.356 -3.156 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001044927582 673774165 /nfs/dbraw/zinc/77/41/65/673774165.db2.gz JWOFHPNDIAPNMF-VIFPVBQESA-N 1 0 339.356 -3.156 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001044927695 673774259 /nfs/dbraw/zinc/77/42/59/673774259.db2.gz KSIHOQXIDMQPHX-SECBINFHSA-N 1 0 325.373 -2.147 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001044927699 673774156 /nfs/dbraw/zinc/77/41/56/673774156.db2.gz KSIHOQXIDMQPHX-VIFPVBQESA-N 1 0 325.373 -2.147 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001044927722 673774201 /nfs/dbraw/zinc/77/42/01/673774201.db2.gz KYPUZVQZVFAFHI-UHFFFAOYSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001044928490 673774561 /nfs/dbraw/zinc/77/45/61/673774561.db2.gz SXNKYWQYZSQHOL-JTQLQIEISA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001044928494 673774526 /nfs/dbraw/zinc/77/45/26/673774526.db2.gz SXNKYWQYZSQHOL-SNVBAGLBSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001044928560 673774813 /nfs/dbraw/zinc/77/48/13/673774813.db2.gz UOQCMYMGCPPHEG-UHFFFAOYSA-N 1 0 337.384 -2.145 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001044928807 673774826 /nfs/dbraw/zinc/77/48/26/673774826.db2.gz XBAUMZIJEVVKKB-JTQLQIEISA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1)[NH+](C)C ZINC001044928808 673774805 /nfs/dbraw/zinc/77/48/05/673774805.db2.gz XBAUMZIJEVVKKB-SNVBAGLBSA-N 1 0 339.400 -1.901 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001044928948 673774754 /nfs/dbraw/zinc/77/47/54/673774754.db2.gz XYPJQJGXUJSVBJ-UHFFFAOYSA-N 1 0 341.372 -2.909 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001044928985 673774750 /nfs/dbraw/zinc/77/47/50/673774750.db2.gz YFBXNCNKCBLEIG-UHFFFAOYSA-N 1 0 349.395 -1.858 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)CCn2cncn2)nc1=O ZINC001044929265 673774761 /nfs/dbraw/zinc/77/47/61/673774761.db2.gz QMMQSMPERXGASM-NSHDSACASA-N 1 0 334.384 -1.129 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001044930202 673775040 /nfs/dbraw/zinc/77/50/40/673775040.db2.gz BPXMMANVJKZZHS-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001044930255 673775042 /nfs/dbraw/zinc/77/50/42/673775042.db2.gz DZSWSAICINZLGJ-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044930343 673775413 /nfs/dbraw/zinc/77/54/13/673775413.db2.gz IKEHXHRWWKYWSF-NSHDSACASA-N 1 0 326.397 -1.752 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001044930509 673775415 /nfs/dbraw/zinc/77/54/15/673775415.db2.gz KHNYVMHOFURCSE-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1)[NH+](C)C ZINC001044930518 673775396 /nfs/dbraw/zinc/77/53/96/673775396.db2.gz KMGJDEYPOMLQCR-NEPJUHHUSA-N 1 0 340.424 -1.363 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1)[NH+](C)C ZINC001044930519 673775365 /nfs/dbraw/zinc/77/53/65/673775365.db2.gz KMGJDEYPOMLQCR-RYUDHWBXSA-N 1 0 340.424 -1.363 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001044930589 673775315 /nfs/dbraw/zinc/77/53/15/673775315.db2.gz NSVPQCDIVDYOGJ-NWDGAFQWSA-N 1 0 338.408 -1.609 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001044930590 673775406 /nfs/dbraw/zinc/77/54/06/673775406.db2.gz NSVPQCDIVDYOGJ-RYUDHWBXSA-N 1 0 338.408 -1.609 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044930871 673775664 /nfs/dbraw/zinc/77/56/64/673775664.db2.gz SLDHUUUGVFZSJO-LBPRGKRZSA-N 1 0 338.408 -1.608 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 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Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001044934621 673776307 /nfs/dbraw/zinc/77/63/07/673776307.db2.gz HIUURJLOJBAJQL-LLVKDONJSA-N 1 0 349.395 -2.145 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001044934622 673776291 /nfs/dbraw/zinc/77/62/91/673776291.db2.gz HIUURJLOJBAJQL-NSHDSACASA-N 1 0 349.395 -2.145 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001044934639 673776543 /nfs/dbraw/zinc/77/65/43/673776543.db2.gz HWPQQDHGHFXLQW-UHFFFAOYSA-N 1 0 325.373 -2.145 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001044935056 673776910 /nfs/dbraw/zinc/77/69/10/673776910.db2.gz MPWMPAUJCKFALV-UHFFFAOYSA-N 1 0 325.373 -2.147 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3nnn(C)n3)C2)CC[N@@H+]1C ZINC001044935216 673776930 /nfs/dbraw/zinc/77/69/30/673776930.db2.gz PNYAURMZERCYJN-NXEZZACHSA-N 1 0 337.384 -2.147 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3nnn(C)n3)C2)C1 ZINC001044935411 673777173 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NSVPQCDIVDYOGJ-VXGBXAGGSA-N 1 0 338.408 -1.609 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001045116017 673787876 /nfs/dbraw/zinc/78/78/76/673787876.db2.gz BPXMMANVJKZZHS-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001045116140 673788126 /nfs/dbraw/zinc/78/81/26/673788126.db2.gz DZSWSAICINZLGJ-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001045116351 673788198 /nfs/dbraw/zinc/78/81/98/673788198.db2.gz IKEHXHRWWKYWSF-LLVKDONJSA-N 1 0 326.397 -1.752 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001045116573 673788230 /nfs/dbraw/zinc/78/82/30/673788230.db2.gz KHNYVMHOFURCSE-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1)[NH+](C)C ZINC001045116578 673788133 /nfs/dbraw/zinc/78/81/33/673788133.db2.gz KMGJDEYPOMLQCR-NWDGAFQWSA-N 1 0 340.424 -1.363 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1)[NH+](C)C ZINC001045116579 673788098 /nfs/dbraw/zinc/78/80/98/673788098.db2.gz KMGJDEYPOMLQCR-VXGBXAGGSA-N 1 0 340.424 -1.363 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001045116985 673788502 /nfs/dbraw/zinc/78/85/02/673788502.db2.gz SLDHUUUGVFZSJO-GFCCVEGCSA-N 1 0 338.408 -1.608 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001045117041 673788372 /nfs/dbraw/zinc/78/83/72/673788372.db2.gz UNNWYDUYDISRML-NWDGAFQWSA-N 1 0 338.408 -1.752 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001045117042 673788472 /nfs/dbraw/zinc/78/84/72/673788472.db2.gz UNNWYDUYDISRML-VXGBXAGGSA-N 1 0 338.408 -1.752 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001045117067 673788351 /nfs/dbraw/zinc/78/83/51/673788351.db2.gz VLQWKHVUEOSLMC-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001045117203 673788516 /nfs/dbraw/zinc/78/85/16/673788516.db2.gz WSEKNJBWFDFIJW-GFCCVEGCSA-N 1 0 340.424 -1.363 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)c2cn(C)c(=O)cn2)nc1=O ZINC001045125549 673788833 /nfs/dbraw/zinc/78/88/33/673788833.db2.gz MFIOXVUNHWJIHC-JTQLQIEISA-N 1 0 347.379 -1.404 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)ncc1=O ZINC001045125625 673788712 /nfs/dbraw/zinc/78/87/12/673788712.db2.gz QKRKCDXIMXJYDR-QWRGUYRKSA-N 1 0 347.375 -1.220 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)ncc1=O ZINC001045125626 673788677 /nfs/dbraw/zinc/78/86/77/673788677.db2.gz QKRKCDXIMXJYDR-WDEREUQCSA-N 1 0 347.375 -1.220 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@]2(C)CNC(=O)C2)nc1=O ZINC001045131281 673788973 /nfs/dbraw/zinc/78/89/73/673788973.db2.gz CTBJUXLSRMMNHW-BONVTDFDSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@]2(C)CNC(=O)C2)nc1=O ZINC001045131282 673789044 /nfs/dbraw/zinc/78/90/44/673789044.db2.gz CTBJUXLSRMMNHW-ZUZCIYMTSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1cnn(CCC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c1=O ZINC001045131974 673789107 /nfs/dbraw/zinc/78/91/07/673789107.db2.gz XGTKZBWRGQSEGN-NWDGAFQWSA-N 1 0 336.396 -1.559 20 0 EAADRO Cn1cnn(CCC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)c1=O ZINC001045131976 673788990 /nfs/dbraw/zinc/78/89/90/673788990.db2.gz XGTKZBWRGQSEGN-RYUDHWBXSA-N 1 0 336.396 -1.559 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045132445 673789074 /nfs/dbraw/zinc/78/90/74/673789074.db2.gz FQDMQKFTVGJKCZ-RYUDHWBXSA-N 1 0 329.422 -1.110 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001045132888 673789010 /nfs/dbraw/zinc/78/90/10/673789010.db2.gz BHLLUZMRGDUBIV-JTQLQIEISA-N 1 0 328.369 -2.730 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001045132890 673789157 /nfs/dbraw/zinc/78/91/57/673789157.db2.gz BHLLUZMRGDUBIV-SNVBAGLBSA-N 1 0 328.369 -2.730 20 0 EAADRO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133026 673789388 /nfs/dbraw/zinc/78/93/88/673789388.db2.gz FVDNMTDTWKZZKZ-CHWSQXEVSA-N 1 0 343.424 -1.180 20 0 EAADRO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133027 673789356 /nfs/dbraw/zinc/78/93/56/673789356.db2.gz FVDNMTDTWKZZKZ-OLZOCXBDSA-N 1 0 343.424 -1.180 20 0 EAADRO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133028 673789430 /nfs/dbraw/zinc/78/94/30/673789430.db2.gz FVDNMTDTWKZZKZ-QWHCGFSZSA-N 1 0 343.424 -1.180 20 0 EAADRO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133029 673789343 /nfs/dbraw/zinc/78/93/43/673789343.db2.gz FVDNMTDTWKZZKZ-STQMWFEESA-N 1 0 343.424 -1.180 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133078 673789397 /nfs/dbraw/zinc/78/93/97/673789397.db2.gz GYWSUWLYLZMRRD-GFCCVEGCSA-N 1 0 329.397 -1.569 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133082 673789500 /nfs/dbraw/zinc/78/95/00/673789500.db2.gz GYWSUWLYLZMRRD-LBPRGKRZSA-N 1 0 329.397 -1.569 20 0 EAADRO COCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133932 673789457 /nfs/dbraw/zinc/78/94/57/673789457.db2.gz RJMHFACFCLUQLW-CYBMUJFWSA-N 1 0 343.424 -1.178 20 0 EAADRO COCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045133933 673789491 /nfs/dbraw/zinc/78/94/91/673789491.db2.gz RJMHFACFCLUQLW-ZDUSSCGKSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001045134212 673789335 /nfs/dbraw/zinc/78/93/35/673789335.db2.gz WLMKYCKFXSDXRD-LLVKDONJSA-N 1 0 342.396 -2.340 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001045134215 673789516 /nfs/dbraw/zinc/78/95/16/673789516.db2.gz WLMKYCKFXSDXRD-NSHDSACASA-N 1 0 342.396 -2.340 20 0 EAADRO CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045134253 673789509 /nfs/dbraw/zinc/78/95/09/673789509.db2.gz XMKZLHDFFZDVNS-CYBMUJFWSA-N 1 0 343.424 -1.178 20 0 EAADRO CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001045134254 673789421 /nfs/dbraw/zinc/78/94/21/673789421.db2.gz XMKZLHDFFZDVNS-ZDUSSCGKSA-N 1 0 343.424 -1.178 20 0 EAADRO Cn1cnn(CCC(=O)N2CCC[C@H]2C[NH2+]Cc2cnnn2C)c1=O ZINC001045135287 673789532 /nfs/dbraw/zinc/78/95/32/673789532.db2.gz SNCNYDZWIBCUND-LBPRGKRZSA-N 1 0 348.411 -1.119 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001045136964 673789316 /nfs/dbraw/zinc/78/93/16/673789316.db2.gz AWFPKKFZCWJLQJ-HNNXBMFYSA-N 1 0 347.387 -1.617 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001045136966 673789385 /nfs/dbraw/zinc/78/93/85/673789385.db2.gz AWFPKKFZCWJLQJ-OAHLLOKOSA-N 1 0 347.387 -1.617 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@]1(F)CCOC1 ZINC001045138576 673790238 /nfs/dbraw/zinc/79/02/38/673790238.db2.gz RTFRRVTXGRMVMX-INIZCTEOSA-N 1 0 341.383 -1.100 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@]1(F)CCOC1 ZINC001045138577 673790255 /nfs/dbraw/zinc/79/02/55/673790255.db2.gz RTFRRVTXGRMVMX-MRXNPFEDSA-N 1 0 341.383 -1.100 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001045139023 673790325 /nfs/dbraw/zinc/79/03/25/673790325.db2.gz WPEAOPFXPBHGDS-ABAIWWIYSA-N 1 0 329.372 -1.101 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001045139025 673790262 /nfs/dbraw/zinc/79/02/62/673790262.db2.gz WPEAOPFXPBHGDS-IAQYHMDHSA-N 1 0 329.372 -1.101 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001045139026 673790278 /nfs/dbraw/zinc/79/02/78/673790278.db2.gz WPEAOPFXPBHGDS-NHYWBVRUSA-N 1 0 329.372 -1.101 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001045139027 673790367 /nfs/dbraw/zinc/79/03/67/673790367.db2.gz WPEAOPFXPBHGDS-XHDPSFHLSA-N 1 0 329.372 -1.101 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001045143874 673790957 /nfs/dbraw/zinc/79/09/57/673790957.db2.gz KRZOUPVUTSJJQX-HNNXBMFYSA-N 1 0 329.372 -1.100 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001045143875 673791021 /nfs/dbraw/zinc/79/10/21/673791021.db2.gz KRZOUPVUTSJJQX-OAHLLOKOSA-N 1 0 329.372 -1.100 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@]3(F)CCOC3)C2)C1 ZINC001045144684 673790923 /nfs/dbraw/zinc/79/09/23/673790923.db2.gz XETSCFDRRMMPOL-ABAIWWIYSA-N 1 0 329.372 -1.244 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@]3(F)CCOC3)C2)C1 ZINC001045144686 673790993 /nfs/dbraw/zinc/79/09/93/673790993.db2.gz XETSCFDRRMMPOL-IAQYHMDHSA-N 1 0 329.372 -1.244 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@]3(F)CCOC3)C2)C1 ZINC001045144687 673791050 /nfs/dbraw/zinc/79/10/50/673791050.db2.gz XETSCFDRRMMPOL-NHYWBVRUSA-N 1 0 329.372 -1.244 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@]3(F)CCOC3)C2)C1 ZINC001045144689 673791083 /nfs/dbraw/zinc/79/10/83/673791083.db2.gz XETSCFDRRMMPOL-XHDPSFHLSA-N 1 0 329.372 -1.244 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c1=O ZINC001045146090 673791208 /nfs/dbraw/zinc/79/12/08/673791208.db2.gz MMFBTFRAOKTRTE-GXSJLCMTSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)c1=O ZINC001045146091 673791290 /nfs/dbraw/zinc/79/12/90/673791290.db2.gz MMFBTFRAOKTRTE-ONGXEEELSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)c1=O ZINC001045146120 673791267 /nfs/dbraw/zinc/79/12/67/673791267.db2.gz OENNVPZOVLRJEP-CMPLNLGQSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCNC2=O)c1=O ZINC001045146121 673791276 /nfs/dbraw/zinc/79/12/76/673791276.db2.gz OENNVPZOVLRJEP-JQWIXIFHSA-N 1 0 349.391 -1.041 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001045147000 673791369 /nfs/dbraw/zinc/79/13/69/673791369.db2.gz CRFQHYBFSHBPRQ-QWHCGFSZSA-N 1 0 337.424 -1.723 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001045147001 673791200 /nfs/dbraw/zinc/79/12/00/673791200.db2.gz CRFQHYBFSHBPRQ-STQMWFEESA-N 1 0 337.424 -1.723 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001045147575 673791314 /nfs/dbraw/zinc/79/13/14/673791314.db2.gz GOXVXXMICNTENK-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001045147631 673791402 /nfs/dbraw/zinc/79/14/02/673791402.db2.gz HCFGPTSKOXWHDK-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001045147906 673791446 /nfs/dbraw/zinc/79/14/46/673791446.db2.gz PXWUXXQIOMJZOA-ZDUSSCGKSA-N 1 0 334.424 -1.068 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001045147941 673791196 /nfs/dbraw/zinc/79/11/96/673791196.db2.gz JZPWBZMBDBJTIN-AAEUAGOBSA-N 1 0 340.424 -1.458 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001045148080 673791437 /nfs/dbraw/zinc/79/14/37/673791437.db2.gz QNQVQHNWOONPGG-AWEZNQCLSA-N 1 0 334.424 -1.068 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001045148118 673791424 /nfs/dbraw/zinc/79/14/24/673791424.db2.gz REBCOCZBUIAGNT-LBPRGKRZSA-N 1 0 335.412 -1.673 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCNC(=O)C2)n1 ZINC001045148146 673791362 /nfs/dbraw/zinc/79/13/62/673791362.db2.gz RVGPCXFEYMHTKG-AWEZNQCLSA-N 1 0 334.424 -1.068 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001045148161 673791573 /nfs/dbraw/zinc/79/15/73/673791573.db2.gz SIEUPXUCWYDSBR-ZDUSSCGKSA-N 1 0 334.424 -1.068 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CC[N@@H+]1C ZINC001045148279 673791677 /nfs/dbraw/zinc/79/16/77/673791677.db2.gz PFEMCCNZATYWFS-QWRGUYRKSA-N 1 0 336.396 -1.162 20 0 EAADRO Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1C ZINC001045148281 673791712 /nfs/dbraw/zinc/79/17/12/673791712.db2.gz PHHXQMKYBMQEIU-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1C ZINC001045148282 673791577 /nfs/dbraw/zinc/79/15/77/673791577.db2.gz PHHXQMKYBMQEIU-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001045148412 673791792 /nfs/dbraw/zinc/79/17/92/673791792.db2.gz WEURVKUQAUSCTA-ZDUSSCGKSA-N 1 0 349.439 -1.190 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCNC(=O)C2)C1=O ZINC001045148426 673791735 /nfs/dbraw/zinc/79/17/35/673791735.db2.gz WPLSQIGWJXPSRF-QWHCGFSZSA-N 1 0 337.424 -1.771 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCNC(=O)C2)C1=O ZINC001045148427 673791690 /nfs/dbraw/zinc/79/16/90/673791690.db2.gz WPLSQIGWJXPSRF-STQMWFEESA-N 1 0 337.424 -1.771 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCNC(=O)C2)cn1 ZINC001045148590 673791597 /nfs/dbraw/zinc/79/15/97/673791597.db2.gz ZJUGSASQMHTNLY-AWEZNQCLSA-N 1 0 334.424 -1.068 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001045148884 673791720 /nfs/dbraw/zinc/79/17/20/673791720.db2.gz ZEIDDMVHBXOSMK-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(=O)n2C)nc1=O ZINC001045149610 673791759 /nfs/dbraw/zinc/79/17/59/673791759.db2.gz JXTNXERKFJCGKC-VIFPVBQESA-N 1 0 335.368 -1.058 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)NC1=O ZINC001045150246 673791668 /nfs/dbraw/zinc/79/16/68/673791668.db2.gz CPUDGBZFHCTYKB-UWVGGRQHSA-N 1 0 337.384 -1.787 20 0 EAADRO CN1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)NC1=O ZINC001045150247 673791628 /nfs/dbraw/zinc/79/16/28/673791628.db2.gz CPUDGBZFHCTYKB-VHSXEESVSA-N 1 0 337.384 -1.787 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)CC[N@@H+]1C ZINC001045152467 673791946 /nfs/dbraw/zinc/79/19/46/673791946.db2.gz HTHMZXPJBIVFLP-QWRGUYRKSA-N 1 0 336.396 -1.162 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2C)nc1=O ZINC001045157062 673791995 /nfs/dbraw/zinc/79/19/95/673791995.db2.gz NLZWSXKKZACSCC-QWRGUYRKSA-N 1 0 336.396 -1.190 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H]2C[NH2+]C[C@H]2CCS(=O)(=O)C2)n1 ZINC001045159511 673792059 /nfs/dbraw/zinc/79/20/59/673792059.db2.gz URDNYKYMUZNASE-MNOVXSKESA-N 1 0 342.425 -1.161 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001045159512 673792386 /nfs/dbraw/zinc/79/23/86/673792386.db2.gz URDNYKYMUZNASE-QWRGUYRKSA-N 1 0 342.425 -1.161 20 0 EAADRO CN1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)C1=O ZINC001045162609 673792262 /nfs/dbraw/zinc/79/22/62/673792262.db2.gz LJCKIARYTOGITJ-QWRGUYRKSA-N 1 0 336.396 -1.333 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)C1=O ZINC001045162610 673792304 /nfs/dbraw/zinc/79/23/04/673792304.db2.gz LJCKIARYTOGITJ-WDEREUQCSA-N 1 0 336.396 -1.333 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccncn1 ZINC001045164825 673792474 /nfs/dbraw/zinc/79/24/74/673792474.db2.gz GCRFFZRYTTUETK-UHFFFAOYSA-N 1 0 331.376 -1.125 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001045165360 673792420 /nfs/dbraw/zinc/79/24/20/673792420.db2.gz OJIPZXYOWZTLGA-UHFFFAOYSA-N 1 0 337.380 -1.642 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCC(=O)N2C)nc1=O ZINC001045166521 673792790 /nfs/dbraw/zinc/79/27/90/673792790.db2.gz NLZWSXKKZACSCC-WDEREUQCSA-N 1 0 336.396 -1.190 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001045169250 673792694 /nfs/dbraw/zinc/79/26/94/673792694.db2.gz CROYIKKQXNCDBY-NEPJUHHUSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001045169251 673792712 /nfs/dbraw/zinc/79/27/12/673792712.db2.gz CROYIKKQXNCDBY-NWDGAFQWSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001045169252 673792624 /nfs/dbraw/zinc/79/26/24/673792624.db2.gz CROYIKKQXNCDBY-RYUDHWBXSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001045169253 673792648 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-1.100 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)n(C)n1 ZINC001045176222 673793677 /nfs/dbraw/zinc/79/36/77/673793677.db2.gz BDHGSPHKJMHJGC-RYUDHWBXSA-N 1 0 348.407 -1.100 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC001045176278 673793618 /nfs/dbraw/zinc/79/36/18/673793618.db2.gz FJKHLDZQAYCOJR-MNOVXSKESA-N 1 0 332.426 -1.666 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC001045176279 673793701 /nfs/dbraw/zinc/79/37/01/673793701.db2.gz FJKHLDZQAYCOJR-QWRGUYRKSA-N 1 0 332.426 -1.666 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)n1 ZINC001045176285 673793605 /nfs/dbraw/zinc/79/36/05/673793605.db2.gz FOFMHTXBWAZVPZ-NWDGAFQWSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)n1 ZINC001045176286 673793653 /nfs/dbraw/zinc/79/36/53/673793653.db2.gz FOFMHTXBWAZVPZ-RYUDHWBXSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)cn1 ZINC001045176479 673793704 /nfs/dbraw/zinc/79/37/04/673793704.db2.gz IYWGNZDVKFAMHA-AAEUAGOBSA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)cn1 ZINC001045176480 673793571 /nfs/dbraw/zinc/79/35/71/673793571.db2.gz IYWGNZDVKFAMHA-WCQYABFASA-N 1 0 348.407 -1.019 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)cn1 ZINC001045176903 673793876 /nfs/dbraw/zinc/79/38/76/673793876.db2.gz OMPNETBFQGNXMM-CMPLNLGQSA-N 1 0 334.380 -1.409 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)cn1 ZINC001045176904 673794075 /nfs/dbraw/zinc/79/40/75/673794075.db2.gz OMPNETBFQGNXMM-JQWIXIFHSA-N 1 0 334.380 -1.409 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)n1 ZINC001045177401 673794009 /nfs/dbraw/zinc/79/40/09/673794009.db2.gz ZQTXWLATUWZWJM-QWRGUYRKSA-N 1 0 334.380 -1.409 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN3C(=O)C(N)=O)C2=O)n1 ZINC001045177403 673794104 /nfs/dbraw/zinc/79/41/04/673794104.db2.gz 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O=C(NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)c1cnon1 ZINC001045188541 673795036 /nfs/dbraw/zinc/79/50/36/673795036.db2.gz XMIXDRSBUYSYND-NSHDSACASA-N 1 0 335.364 -1.286 20 0 EAADRO Cn1cncc1CCC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045188617 673795011 /nfs/dbraw/zinc/79/50/11/673795011.db2.gz ZSDIPWAAWSLIMS-UHFFFAOYSA-N 1 0 334.336 -1.261 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045192744 673795003 /nfs/dbraw/zinc/79/50/03/673795003.db2.gz BQGOEHDJXWSIKW-LLVKDONJSA-N 1 0 339.352 -1.907 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045192745 673795148 /nfs/dbraw/zinc/79/51/48/673795148.db2.gz BQGOEHDJXWSIKW-NSHDSACASA-N 1 0 339.352 -1.907 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@H]2CCn3ccnc3C2)C1)c1cnon1 ZINC001045192776 673795018 /nfs/dbraw/zinc/79/50/18/673795018.db2.gz DFTHGQDIQGGFOA-JTQLQIEISA-N 1 0 346.347 -1.168 20 0 EAADRO O=C(NCC1(O)CN(C(=O)[C@@H]2CCn3ccnc3C2)C1)c1cnon1 ZINC001045192777 673795158 /nfs/dbraw/zinc/79/51/58/673795158.db2.gz DFTHGQDIQGGFOA-SNVBAGLBSA-N 1 0 346.347 -1.168 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc3ncccn3n2)C1 ZINC001045197264 673795986 /nfs/dbraw/zinc/79/59/86/673795986.db2.gz PJRCDHMVAHANBX-UHFFFAOYSA-N 1 0 346.391 -1.016 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@]2(C)CCNC2=O)nc1=O ZINC001045198166 673796336 /nfs/dbraw/zinc/79/63/36/673796336.db2.gz IVCLYZITKPPQQD-BONVTDFDSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@]2(C)CCNC2=O)nc1=O ZINC001045198167 673796279 /nfs/dbraw/zinc/79/62/79/673796279.db2.gz IVCLYZITKPPQQD-ZUZCIYMTSA-N 1 0 336.396 -1.285 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001045200870 673796412 /nfs/dbraw/zinc/79/64/12/673796412.db2.gz SVGSSLQBEKHGMU-WCFLWFBJSA-N 1 0 336.396 -1.071 20 0 EAADRO Cn1ncc(CCC(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001045202602 673796809 /nfs/dbraw/zinc/79/68/09/673796809.db2.gz RHNUMAFSIORAQN-LBPRGKRZSA-N 1 0 348.411 -1.050 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(C(N)=O)[nH]2)nc1=O ZINC001045204365 673796828 /nfs/dbraw/zinc/79/68/28/673796828.db2.gz JMPSRNVAFYGFPX-VIFPVBQESA-N 1 0 347.379 -1.070 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1ncccn1 ZINC001045208996 673797209 /nfs/dbraw/zinc/79/72/09/673797209.db2.gz MTYVHVXZSCBZJR-UHFFFAOYSA-N 1 0 331.376 -1.125 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001045209372 673797039 /nfs/dbraw/zinc/79/70/39/673797039.db2.gz VMDSCGJEBIUXFM-UHFFFAOYSA-N 1 0 337.380 -1.642 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001045212563 673797453 /nfs/dbraw/zinc/79/74/53/673797453.db2.gz NPLBJBJXWWDSSU-NEPJUHHUSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001045212564 673797560 /nfs/dbraw/zinc/79/75/60/673797560.db2.gz NPLBJBJXWWDSSU-NWDGAFQWSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001045212565 673797330 /nfs/dbraw/zinc/79/73/30/673797330.db2.gz NPLBJBJXWWDSSU-RYUDHWBXSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001045212566 673797552 /nfs/dbraw/zinc/79/75/52/673797552.db2.gz NPLBJBJXWWDSSU-VXGBXAGGSA-N 1 0 333.392 -1.023 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001045220507 673798104 /nfs/dbraw/zinc/79/81/04/673798104.db2.gz KSDSROUKHAJXMY-ONGXEEELSA-N 1 0 335.368 -1.506 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001045220541 673798056 /nfs/dbraw/zinc/79/80/56/673798056.db2.gz LQXXVJLYRPGMMG-JQWIXIFHSA-N 1 0 349.395 -1.023 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c(=O)n(C)c1=O ZINC001045228632 673798186 /nfs/dbraw/zinc/79/81/86/673798186.db2.gz YXDDBZGATNDFQW-CMPLNLGQSA-N 1 0 349.391 -1.833 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)c(=O)n(C)c1=O ZINC001045228633 673797945 /nfs/dbraw/zinc/79/79/45/673797945.db2.gz YXDDBZGATNDFQW-JQWIXIFHSA-N 1 0 349.391 -1.833 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1cccnn1 ZINC001045232223 673798483 /nfs/dbraw/zinc/79/84/83/673798483.db2.gz OPEIDDPNJPMDPC-UHFFFAOYSA-N 1 0 331.376 -1.125 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001045232541 673798774 /nfs/dbraw/zinc/79/87/74/673798774.db2.gz WMVJLIIYVDLKIQ-UHFFFAOYSA-N 1 0 337.380 -1.642 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001045237143 673799056 /nfs/dbraw/zinc/79/90/56/673799056.db2.gz STQZRUZOGZZFJE-NEPJUHHUSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001045237144 673799015 /nfs/dbraw/zinc/79/90/15/673799015.db2.gz STQZRUZOGZZFJE-NWDGAFQWSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001045237145 673798937 /nfs/dbraw/zinc/79/89/37/673798937.db2.gz STQZRUZOGZZFJE-RYUDHWBXSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001045237146 673799085 /nfs/dbraw/zinc/79/90/85/673799085.db2.gz STQZRUZOGZZFJE-VXGBXAGGSA-N 1 0 333.392 -1.023 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@H]2CCC(=O)N2)nc1=O ZINC001045238847 673799258 /nfs/dbraw/zinc/79/92/58/673799258.db2.gz IYZORHITAFXHQQ-MNOVXSKESA-N 1 0 336.396 -1.142 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@@H]2CCC(=O)N2)nc1=O ZINC001045238848 673799366 /nfs/dbraw/zinc/79/93/66/673799366.db2.gz IYZORHITAFXHQQ-QWRGUYRKSA-N 1 0 336.396 -1.142 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001045239273 673799423 /nfs/dbraw/zinc/79/94/23/673799423.db2.gz OGQQSWNMTNKUNR-NWDGAFQWSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001045239275 673799232 /nfs/dbraw/zinc/79/92/32/673799232.db2.gz OGQQSWNMTNKUNR-RYUDHWBXSA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001045239679 673799342 /nfs/dbraw/zinc/79/93/42/673799342.db2.gz 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Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC001045242498 673799766 /nfs/dbraw/zinc/79/97/66/673799766.db2.gz VVVHDLBYUOYIPJ-JTQLQIEISA-N 1 0 335.368 -1.553 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045242667 673799636 /nfs/dbraw/zinc/79/96/36/673799636.db2.gz DTKVYOOAOKQQFV-NWDGAFQWSA-N 1 0 349.391 -1.604 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045242668 673799668 /nfs/dbraw/zinc/79/96/68/673799668.db2.gz DTKVYOOAOKQQFV-RYUDHWBXSA-N 1 0 349.391 -1.604 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CC(=O)NC2=O)C1=O ZINC001045243920 673799699 /nfs/dbraw/zinc/79/96/99/673799699.db2.gz SNKYAIIKKPXGLJ-QWRGUYRKSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CC(=O)NC2=O)C1=O ZINC001045243921 673799574 /nfs/dbraw/zinc/79/95/74/673799574.db2.gz SNKYAIIKKPXGLJ-WDEREUQCSA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2nc[nH]n2)n(C)c1=O ZINC001045245096 673800084 /nfs/dbraw/zinc/80/00/84/673800084.db2.gz VBLWWFJYEFKPIQ-JTQLQIEISA-N 1 0 347.379 -1.404 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cnon2)n(C)c1=O ZINC001045248740 673800017 /nfs/dbraw/zinc/80/00/17/673800017.db2.gz DMKIGFFXYZLXAL-JTQLQIEISA-N 1 0 348.363 -1.139 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)CCn2cnnn2)nc1=O ZINC001045251170 673799997 /nfs/dbraw/zinc/79/99/97/673799997.db2.gz HSUYQSFEKKUOFZ-JTQLQIEISA-N 1 0 335.372 -1.734 20 0 EAADRO O=C(CCn1cnnn1)N1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001045251310 673800045 /nfs/dbraw/zinc/80/00/45/673800045.db2.gz NMMQJSRBBJXXCY-QWRGUYRKSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(CCn1cnnn1)N1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001045251311 673799965 /nfs/dbraw/zinc/79/99/65/673799965.db2.gz NMMQJSRBBJXXCY-WDEREUQCSA-N 1 0 335.368 -1.551 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C(N)=O)c[nH]2)nc1=O ZINC001045256060 673800675 /nfs/dbraw/zinc/80/06/75/673800675.db2.gz QVYAAVBPYULNQM-JTQLQIEISA-N 1 0 347.379 -1.070 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045256132 673800531 /nfs/dbraw/zinc/80/05/31/673800531.db2.gz KLDLFYJWFSGJNI-LLVKDONJSA-N 1 0 337.384 -2.153 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045256133 673800495 /nfs/dbraw/zinc/80/04/95/673800495.db2.gz KLDLFYJWFSGJNI-NSHDSACASA-N 1 0 337.384 -2.153 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045258824 673801080 /nfs/dbraw/zinc/80/10/80/673801080.db2.gz HMECOEWRJOCVAZ-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045258870 673801217 /nfs/dbraw/zinc/80/12/17/673801217.db2.gz IZQLUYSXHBTRGZ-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045259017 673801514 /nfs/dbraw/zinc/80/15/14/673801514.db2.gz KJFVWRSOMSJWCP-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1)[NH+](C)C ZINC001045259052 673801453 /nfs/dbraw/zinc/80/14/53/673801453.db2.gz LZFFCUSGZZGFIB-LLVKDONJSA-N 1 0 339.400 -1.907 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1)[NH+](C)C ZINC001045259053 673801603 /nfs/dbraw/zinc/80/16/03/673801603.db2.gz LZFFCUSGZZGFIB-NSHDSACASA-N 1 0 339.400 -1.907 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045259185 673801374 /nfs/dbraw/zinc/80/13/74/673801374.db2.gz MZPGFMFFVDPSAV-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045259685 673801874 /nfs/dbraw/zinc/80/18/74/673801874.db2.gz ZARNENQMVSNLRB-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO O=C(CCn1cnnn1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001045259710 673801916 /nfs/dbraw/zinc/80/19/16/673801916.db2.gz ZYILJHVISKNALJ-UHFFFAOYSA-N 1 0 349.395 -2.152 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001045261486 673802048 /nfs/dbraw/zinc/80/20/48/673802048.db2.gz FDKCOUPFLSBXTM-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC1CC[NH+](CC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC1 ZINC001045261602 673802096 /nfs/dbraw/zinc/80/20/96/673802096.db2.gz FVSAZWNWVAHHQO-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO CC1CC[NH+](CC(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CC1 ZINC001045261636 673802108 /nfs/dbraw/zinc/80/21/08/673802108.db2.gz GTMLJLMQAQAVTB-UHFFFAOYSA-N 1 0 341.412 -1.924 20 0 EAADRO O=C(CCn1cnnn1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001045261992 673802065 /nfs/dbraw/zinc/80/20/65/673802065.db2.gz MNTHLHAPGZMMHV-UHFFFAOYSA-N 1 0 337.384 -2.152 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001045262095 673802074 /nfs/dbraw/zinc/80/20/74/673802074.db2.gz NTDKPWKWOXBECP-UHFFFAOYSA-N 1 0 339.400 -1.907 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001045262468 673802436 /nfs/dbraw/zinc/80/24/36/673802436.db2.gz UATRDEJCNQDDLA-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCn3cnnn3)C2)C1 ZINC001045262484 673802684 /nfs/dbraw/zinc/80/26/84/673802684.db2.gz UTUHDHDTJWXGQK-LLVKDONJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCn3cnnn3)C2)C1 ZINC001045262485 673802605 /nfs/dbraw/zinc/80/26/05/673802605.db2.gz UTUHDHDTJWXGQK-NSHDSACASA-N 1 0 337.384 -2.296 20 0 EAADRO CC1CC[NH+](CC(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CC1 ZINC001045262722 673802414 /nfs/dbraw/zinc/80/24/14/673802414.db2.gz YRHVQQWFQRNRRO-UHFFFAOYSA-N 1 0 336.396 -1.160 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045265383 673802511 /nfs/dbraw/zinc/80/25/11/673802511.db2.gz NDFHFFUKWIDQJI-QWRGUYRKSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045265385 673802690 /nfs/dbraw/zinc/80/26/90/673802690.db2.gz NDFHFFUKWIDQJI-WDEREUQCSA-N 1 0 337.380 -1.603 20 0 EAADRO CC1CC[NH+](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)CC1 ZINC001045265740 673802615 /nfs/dbraw/zinc/80/26/15/673802615.db2.gz QAPDDEJSSMMYKV-UHFFFAOYSA-N 1 0 336.396 -1.160 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(=O)NC1=O ZINC001045265914 673802390 /nfs/dbraw/zinc/80/23/90/673802390.db2.gz WEGFAQRYEJKHSY-NSHDSACASA-N 1 0 349.395 -1.162 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)C1=O ZINC001045273265 673802970 /nfs/dbraw/zinc/80/29/70/673802970.db2.gz BNHNYWWWGUUSPL-QWRGUYRKSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)C1=O ZINC001045273266 673803008 /nfs/dbraw/zinc/80/30/08/673803008.db2.gz BNHNYWWWGUUSPL-WDEREUQCSA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001045273937 673803038 /nfs/dbraw/zinc/80/30/38/673803038.db2.gz FRKYCOSGNHCANF-NSHDSACASA-N 1 0 349.395 -1.210 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045275379 673802799 /nfs/dbraw/zinc/80/27/99/673802799.db2.gz VUCHWOPHVSKCFK-UWVGGRQHSA-N 1 0 345.363 -1.500 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045275384 673802900 /nfs/dbraw/zinc/80/29/00/673802900.db2.gz VUCHWOPHVSKCFK-VHSXEESVSA-N 1 0 345.363 -1.500 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)CC1 ZINC001045281316 673803998 /nfs/dbraw/zinc/80/39/98/673803998.db2.gz DQJUFPCQRDAGEP-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045281447 673804001 /nfs/dbraw/zinc/80/40/01/673804001.db2.gz IVCYDZRMMVCYBH-NEPJUHHUSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045281449 673803976 /nfs/dbraw/zinc/80/39/76/673803976.db2.gz IVCYDZRMMVCYBH-NWDGAFQWSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045281450 673803724 /nfs/dbraw/zinc/80/37/24/673803724.db2.gz IVCYDZRMMVCYBH-RYUDHWBXSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045281451 673803703 /nfs/dbraw/zinc/80/37/03/673803703.db2.gz IVCYDZRMMVCYBH-VXGBXAGGSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001045281473 673804020 /nfs/dbraw/zinc/80/40/20/673804020.db2.gz KFPKWAQUHJZYGS-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001045281474 673804007 /nfs/dbraw/zinc/80/40/07/673804007.db2.gz KFPKWAQUHJZYGS-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045281484 673803793 /nfs/dbraw/zinc/80/37/93/673803793.db2.gz KLPCMGMRLGJXNA-UHFFFAOYSA-N 1 0 339.396 -1.780 20 0 EAADRO O=C(Cc1ncc[nH]1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001045281532 673803623 /nfs/dbraw/zinc/80/36/23/673803623.db2.gz LLFDHNAYODYTSO-CYBMUJFWSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001045281534 673803829 /nfs/dbraw/zinc/80/38/29/673803829.db2.gz LLFDHNAYODYTSO-ZDUSSCGKSA-N 1 0 347.419 -1.017 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1)C1CC1 ZINC001045281667 673803664 /nfs/dbraw/zinc/80/36/64/673803664.db2.gz OSJUHLNMKKQGAR-AWEZNQCLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1)C1CC1 ZINC001045281669 673803764 /nfs/dbraw/zinc/80/37/64/673803764.db2.gz OSJUHLNMKKQGAR-CQSZACIVSA-N 1 0 335.408 -1.018 20 0 EAADRO O=C(Cc1ncc[nH]1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001045282038 673804333 /nfs/dbraw/zinc/80/43/33/673804333.db2.gz SVBOPNIYWIKQIO-UHFFFAOYSA-N 1 0 333.392 -1.263 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001045282085 673804268 /nfs/dbraw/zinc/80/42/68/673804268.db2.gz UPHXIKXOWDBYFV-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001045282087 673804226 /nfs/dbraw/zinc/80/42/26/673804226.db2.gz UPHXIKXOWDBYFV-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)CC1 ZINC001045282091 673804323 /nfs/dbraw/zinc/80/43/23/673804323.db2.gz UXUXEWJEMOCEPD-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)CC[N@@H+]1C ZINC001045286803 673805077 /nfs/dbraw/zinc/80/50/77/673805077.db2.gz NYPKRDPIYRSIQM-VXGBXAGGSA-N 1 0 335.408 -1.018 20 0 EAADRO C[C@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045294199 673806068 /nfs/dbraw/zinc/80/60/68/673806068.db2.gz WOPKFGOSBHJZIA-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045294200 673806161 /nfs/dbraw/zinc/80/61/61/673806161.db2.gz WOPKFGOSBHJZIA-OLZOCXBDSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045294201 673806158 /nfs/dbraw/zinc/80/61/58/673806158.db2.gz WOPKFGOSBHJZIA-QWHCGFSZSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045294202 673806089 /nfs/dbraw/zinc/80/60/89/673806089.db2.gz WOPKFGOSBHJZIA-STQMWFEESA-N 1 0 343.424 -1.321 20 0 EAADRO Cc1nn(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c(=O)n1C ZINC001045295405 673806122 /nfs/dbraw/zinc/80/61/22/673806122.db2.gz RZJBAXDEKVVJRK-NWDGAFQWSA-N 1 0 336.396 -1.641 20 0 EAADRO Cc1nn(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)c(=O)n1C ZINC001045295406 673806077 /nfs/dbraw/zinc/80/60/77/673806077.db2.gz RZJBAXDEKVVJRK-RYUDHWBXSA-N 1 0 336.396 -1.641 20 0 EAADRO Cc1nn(CC(=O)N2CCC[C@H]2C[NH2+]Cc2cnnn2C)c(=O)n1C ZINC001045295832 673806130 /nfs/dbraw/zinc/80/61/30/673806130.db2.gz ZUNYPSCHOCUVOH-LBPRGKRZSA-N 1 0 348.411 -1.200 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001045298325 673806485 /nfs/dbraw/zinc/80/64/85/673806485.db2.gz KTXRZQOSSBSBRJ-HNNXBMFYSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001045298326 673806368 /nfs/dbraw/zinc/80/63/68/673806368.db2.gz KTXRZQOSSBSBRJ-OAHLLOKOSA-N 1 0 343.424 -1.319 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)nc1=O ZINC001045299877 673806722 /nfs/dbraw/zinc/80/67/22/673806722.db2.gz FAOCLFZZEANXFU-JTQLQIEISA-N 1 0 347.379 -1.404 20 0 EAADRO Cn1nc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)ccc1=O ZINC001045299996 673806710 /nfs/dbraw/zinc/80/67/10/673806710.db2.gz FYBGCSSVQBIVGI-QWRGUYRKSA-N 1 0 347.375 -1.220 20 0 EAADRO Cn1nc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)ccc1=O ZINC001045299997 673806680 /nfs/dbraw/zinc/80/66/80/673806680.db2.gz FYBGCSSVQBIVGI-WDEREUQCSA-N 1 0 347.375 -1.220 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001045301419 673806796 /nfs/dbraw/zinc/80/67/96/673806796.db2.gz FLQGEMWAFBRCJX-QWRGUYRKSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001045301420 673806781 /nfs/dbraw/zinc/80/67/81/673806781.db2.gz FLQGEMWAFBRCJX-WDEREUQCSA-N 1 0 337.380 -1.603 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001045301464 673806698 /nfs/dbraw/zinc/80/66/98/673806698.db2.gz HBAKSJVFCUGKIF-NSHDSACASA-N 1 0 349.395 -1.070 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC[C@H]2C[NH2+]Cc2cnnn2C)C1=O ZINC001045302001 673806684 /nfs/dbraw/zinc/80/66/84/673806684.db2.gz YIDSCXNGLCFIHC-NSHDSACASA-N 1 0 349.395 -1.210 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2C(=O)CNC2=O)C1=O ZINC001045302002 673806712 /nfs/dbraw/zinc/80/67/12/673806712.db2.gz YJHLZRFQWYWEHF-QWRGUYRKSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2C(=O)CNC2=O)C1=O ZINC001045302003 673807017 /nfs/dbraw/zinc/80/70/17/673807017.db2.gz YJHLZRFQWYWEHF-WDEREUQCSA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001045302050 673807005 /nfs/dbraw/zinc/80/70/05/673807005.db2.gz ZIZQCMXCEARQLI-JTQLQIEISA-N 1 0 335.368 -1.553 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001045302256 673807069 /nfs/dbraw/zinc/80/70/69/673807069.db2.gz AZJNNSLJLHZYSP-NWDGAFQWSA-N 1 0 336.392 -1.005 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001045302257 673806956 /nfs/dbraw/zinc/80/69/56/673806956.db2.gz AZJNNSLJLHZYSP-RYUDHWBXSA-N 1 0 336.392 -1.005 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045302284 673806945 /nfs/dbraw/zinc/80/69/45/673806945.db2.gz COFLUDGHTUOLIX-UWVGGRQHSA-N 1 0 332.364 -1.342 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045302285 673806941 /nfs/dbraw/zinc/80/69/41/673806941.db2.gz COFLUDGHTUOLIX-VHSXEESVSA-N 1 0 332.364 -1.342 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2C(=O)CCC2=O)C1=O ZINC001045302698 673807499 /nfs/dbraw/zinc/80/74/99/673807499.db2.gz KGUJWQUYAMJSLA-NWDGAFQWSA-N 1 0 336.392 -1.053 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2C(=O)CCC2=O)C1=O ZINC001045302699 673807456 /nfs/dbraw/zinc/80/74/56/673807456.db2.gz KGUJWQUYAMJSLA-RYUDHWBXSA-N 1 0 336.392 -1.053 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)C1=O ZINC001045303465 673807304 /nfs/dbraw/zinc/80/73/04/673807304.db2.gz CLLKFSHKFAJDEK-QWRGUYRKSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)C1=O ZINC001045303466 673807365 /nfs/dbraw/zinc/80/73/65/673807365.db2.gz CLLKFSHKFAJDEK-WDEREUQCSA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC001045303848 673807417 /nfs/dbraw/zinc/80/74/17/673807417.db2.gz NZJPSTJKECJBFM-CMPLNLGQSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001045303849 673807346 /nfs/dbraw/zinc/80/73/46/673807346.db2.gz NZJPSTJKECJBFM-JQWIXIFHSA-N 1 0 349.395 -1.116 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC001045305754 673807779 /nfs/dbraw/zinc/80/77/79/673807779.db2.gz DUVDXLSMGJBELU-JTQLQIEISA-N 1 0 349.391 -1.632 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC001045305755 673807643 /nfs/dbraw/zinc/80/76/43/673807643.db2.gz DUVDXLSMGJBELU-SNVBAGLBSA-N 1 0 349.391 -1.632 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001045305916 673807697 /nfs/dbraw/zinc/80/76/97/673807697.db2.gz HQIXRJXMGBPKRR-UHFFFAOYSA-N 1 0 337.380 -1.632 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001045305941 673807774 /nfs/dbraw/zinc/80/77/74/673807774.db2.gz IWUIHMHKQBIBKL-UHFFFAOYSA-N 1 0 349.391 -1.488 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001045305994 673807613 /nfs/dbraw/zinc/80/76/13/673807613.db2.gz KSWBAMAEGRWLRJ-GFCCVEGCSA-N 1 0 349.391 -1.489 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001045305995 673807588 /nfs/dbraw/zinc/80/75/88/673807588.db2.gz KSWBAMAEGRWLRJ-LBPRGKRZSA-N 1 0 349.391 -1.489 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001045307670 673807915 /nfs/dbraw/zinc/80/79/15/673807915.db2.gz DDWHOOMMJPTMRT-GXSJLCMTSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001045307671 673808066 /nfs/dbraw/zinc/80/80/66/673808066.db2.gz DDWHOOMMJPTMRT-ONGXEEELSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001045307878 673808028 /nfs/dbraw/zinc/80/80/28/673808028.db2.gz JCNGLEKEYUJZTL-CMPLNLGQSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001045307879 673808068 /nfs/dbraw/zinc/80/80/68/673808068.db2.gz JCNGLEKEYUJZTL-JQWIXIFHSA-N 1 0 349.391 -1.041 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001045307986 673808063 /nfs/dbraw/zinc/80/80/63/673808063.db2.gz LNNQTAJFPZZCJE-CMPLNLGQSA-N 1 0 349.391 -1.089 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001045307987 673808061 /nfs/dbraw/zinc/80/80/61/673808061.db2.gz LNNQTAJFPZZCJE-JQWIXIFHSA-N 1 0 349.391 -1.089 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(C(N)=O)c2)nc1=O ZINC001045312852 673808308 /nfs/dbraw/zinc/80/83/08/673808308.db2.gz WXTOABGLOJCXAN-JTQLQIEISA-N 1 0 347.379 -1.070 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001045314572 673808706 /nfs/dbraw/zinc/80/87/06/673808706.db2.gz IJIRYJMDHBEKLY-CMPLNLGQSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001045314573 673808534 /nfs/dbraw/zinc/80/85/34/673808534.db2.gz IJIRYJMDHBEKLY-JQWIXIFHSA-N 1 0 342.425 -1.413 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001045322076 673808659 /nfs/dbraw/zinc/80/86/59/673808659.db2.gz AJTRNNYLFOYAIG-NSHDSACASA-N 1 0 346.395 -1.109 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001045322162 673808602 /nfs/dbraw/zinc/80/86/02/673808602.db2.gz FCZDMLKPNLCPMZ-JTQLQIEISA-N 1 0 347.383 -1.714 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001045322438 673808719 /nfs/dbraw/zinc/80/87/19/673808719.db2.gz IOEAWVBYBCZFST-LBPRGKRZSA-N 1 0 346.395 -1.109 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001045322478 673808677 /nfs/dbraw/zinc/80/86/77/673808677.db2.gz LIKNQPNVMAUXPT-QWRGUYRKSA-N 1 0 349.395 -1.812 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001045322479 673808663 /nfs/dbraw/zinc/80/86/63/673808663.db2.gz LIKNQPNVMAUXPT-WDEREUQCSA-N 1 0 349.395 -1.812 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001045323043 673808736 /nfs/dbraw/zinc/80/87/36/673808736.db2.gz RDSRSFOYPAVFTO-LBPRGKRZSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCNC2=O)nn1 ZINC001045323136 673808579 /nfs/dbraw/zinc/80/85/79/673808579.db2.gz UAHQGWOHALWMAB-QWRGUYRKSA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)nn1 ZINC001045323137 673808680 /nfs/dbraw/zinc/80/86/80/673808680.db2.gz UAHQGWOHALWMAB-WDEREUQCSA-N 1 0 349.395 -1.764 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001045323271 673808613 /nfs/dbraw/zinc/80/86/13/673808613.db2.gz WHLVXHQKEONHLN-NSHDSACASA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]2C[NH2+]C[C@H]2CCOC2)nn1 ZINC001045323336 673808565 /nfs/dbraw/zinc/80/85/65/673808565.db2.gz YPMWCCLWUHKSTN-NEPJUHHUSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H]2CCOC2)nn1 ZINC001045323337 673808699 /nfs/dbraw/zinc/80/86/99/673808699.db2.gz YPMWCCLWUHKSTN-RYUDHWBXSA-N 1 0 336.396 -1.006 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)n1 ZINC001045323351 673808655 /nfs/dbraw/zinc/80/86/55/673808655.db2.gz ZATKGYHCWSFBEO-LBPRGKRZSA-N 1 0 346.395 -1.109 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)nn1 ZINC001045323360 673808732 /nfs/dbraw/zinc/80/87/32/673808732.db2.gz ZSHYPWPTSIZZEA-UWVGGRQHSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)nn1 ZINC001045323361 673808629 /nfs/dbraw/zinc/80/86/29/673808629.db2.gz ZSHYPWPTSIZZEA-VHSXEESVSA-N 1 0 335.368 -2.154 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)n(C)c1=O ZINC001045323700 673808672 /nfs/dbraw/zinc/80/86/72/673808672.db2.gz JTFUBKXOWALORJ-JTQLQIEISA-N 1 0 349.395 -1.460 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001045324473 673808650 /nfs/dbraw/zinc/80/86/50/673808650.db2.gz ZCUWHEUXNPFRIC-QWRGUYRKSA-N 1 0 349.391 -1.277 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001045324480 673808715 /nfs/dbraw/zinc/80/87/15/673808715.db2.gz ZCUWHEUXNPFRIC-WDEREUQCSA-N 1 0 349.391 -1.277 20 0 EAADRO Cn1cc(CCC(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001045334697 673808910 /nfs/dbraw/zinc/80/89/10/673808910.db2.gz NWTZJOQDQFBGMP-LBPRGKRZSA-N 1 0 348.411 -1.050 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001045335070 673808997 /nfs/dbraw/zinc/80/89/97/673808997.db2.gz BJFINBWZNAAWBZ-MNOVXSKESA-N 1 0 334.380 -1.052 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001045335071 673809110 /nfs/dbraw/zinc/80/91/10/673809110.db2.gz BJFINBWZNAAWBZ-QWRGUYRKSA-N 1 0 334.380 -1.052 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045351346 673809408 /nfs/dbraw/zinc/80/94/08/673809408.db2.gz FQZQEXZKPUMFQK-UHFFFAOYSA-N 1 0 326.397 -1.846 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045351475 673809394 /nfs/dbraw/zinc/80/93/94/673809394.db2.gz IWTAMHXRULRELY-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045351640 673809358 /nfs/dbraw/zinc/80/93/58/673809358.db2.gz KPAVBBYXCFTWBD-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1)[NH+](C)C ZINC001045351792 673809660 /nfs/dbraw/zinc/80/96/60/673809660.db2.gz MZDCPKRUDBHTBK-GFCCVEGCSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1)[NH+](C)C ZINC001045351794 673809592 /nfs/dbraw/zinc/80/95/92/673809592.db2.gz MZDCPKRUDBHTBK-LBPRGKRZSA-N 1 0 340.424 -1.458 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045352067 673809605 /nfs/dbraw/zinc/80/96/05/673809605.db2.gz SJRJAUICILKHRF-GFCCVEGCSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045352069 673809626 /nfs/dbraw/zinc/80/96/26/673809626.db2.gz SJRJAUICILKHRF-LBPRGKRZSA-N 1 0 338.408 -1.704 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045352304 673809933 /nfs/dbraw/zinc/80/99/33/673809933.db2.gz XWVKNDBFUXRKLZ-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C(=O)NCC3CC3)C2)C1 ZINC001045356440 673809869 /nfs/dbraw/zinc/80/98/69/673809869.db2.gz ASSZKZJNTVAHLQ-GFCCVEGCSA-N 1 0 338.408 -1.846 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C(=O)NCC3CC3)C2)C1 ZINC001045356441 673809797 /nfs/dbraw/zinc/80/97/97/673809797.db2.gz ASSZKZJNTVAHLQ-LBPRGKRZSA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045357205 673810054 /nfs/dbraw/zinc/81/00/54/673810054.db2.gz QOSMKBWTRLUPQH-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045357385 673810112 /nfs/dbraw/zinc/81/01/12/673810112.db2.gz VMCKTHPJYGXYJE-UHFFFAOYSA-N 1 0 335.364 -1.832 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001045357573 673810453 /nfs/dbraw/zinc/81/04/53/673810453.db2.gz YSDHWCDSUAOBJQ-UHFFFAOYSA-N 1 0 338.408 -1.702 20 0 EAADRO COCCC(=O)N1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001045361787 673810516 /nfs/dbraw/zinc/81/05/16/673810516.db2.gz FFXFEDQGGJUOHA-UHFFFAOYSA-N 1 0 343.424 -1.177 20 0 EAADRO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001045361843 673810491 /nfs/dbraw/zinc/81/04/91/673810491.db2.gz GGDYKGSXCSTGKT-GFCCVEGCSA-N 1 0 343.424 -1.178 20 0 EAADRO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001045361844 673810334 /nfs/dbraw/zinc/81/03/34/673810334.db2.gz GGDYKGSXCSTGKT-LBPRGKRZSA-N 1 0 343.424 -1.178 20 0 EAADRO C[NH+]1CCC(OCC(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CC1 ZINC001045362005 673810446 /nfs/dbraw/zinc/81/04/46/673810446.db2.gz HALMBLKQAONNCM-UHFFFAOYSA-N 1 0 328.369 -2.728 20 0 EAADRO C[NH+]1CCC(OCC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC1 ZINC001045362195 673810426 /nfs/dbraw/zinc/81/04/26/673810426.db2.gz KENMEKNCJWVCAA-UHFFFAOYSA-N 1 0 342.396 -2.338 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001045362585 673810320 /nfs/dbraw/zinc/81/03/20/673810320.db2.gz PHQVZTWQUBGLQT-UHFFFAOYSA-N 1 0 329.397 -1.567 20 0 EAADRO CCOCC(=O)N1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001045362808 673810813 /nfs/dbraw/zinc/81/08/13/673810813.db2.gz SINLUHHPTUWLGR-UHFFFAOYSA-N 1 0 343.424 -1.177 20 0 EAADRO Cn1cc(OCC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)cn1 ZINC001045382575 673811272 /nfs/dbraw/zinc/81/12/72/673811272.db2.gz NKJCBXINSSLYIZ-UHFFFAOYSA-N 1 0 339.396 -1.560 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3nccnc3N)C2)CC1 ZINC001045385955 673811671 /nfs/dbraw/zinc/81/16/71/673811671.db2.gz AFCOPGJNTFZAEP-UHFFFAOYSA-N 1 0 348.407 -1.296 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001045386097 673811751 /nfs/dbraw/zinc/81/17/51/673811751.db2.gz CPQXAJABMIZFPP-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045386171 673811667 /nfs/dbraw/zinc/81/16/67/673811667.db2.gz DTVWNUMZOCWOES-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nccc1CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045386226 673811680 /nfs/dbraw/zinc/81/16/80/673811680.db2.gz FLNPYNLKDXJIHI-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045386794 673811572 /nfs/dbraw/zinc/81/15/72/673811572.db2.gz MFQHMHVREFMMIY-UHFFFAOYSA-N 1 0 326.397 -1.846 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045386805 673811584 /nfs/dbraw/zinc/81/15/84/673811584.db2.gz MNJXCWNZJZYMAW-JTQLQIEISA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001045386813 673811691 /nfs/dbraw/zinc/81/16/91/673811691.db2.gz MRBYLSZRUKRQCZ-LLVKDONJSA-N 1 0 338.408 -1.704 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045387058 673811724 /nfs/dbraw/zinc/81/17/24/673811724.db2.gz OQUZJVPCNBJOPW-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC001045387101 673811548 /nfs/dbraw/zinc/81/15/48/673811548.db2.gz PCFMBELWUVTRRC-JTQLQIEISA-N 1 0 340.380 -1.874 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC001045387103 673811592 /nfs/dbraw/zinc/81/15/92/673811592.db2.gz PCFMBELWUVTRRC-SNVBAGLBSA-N 1 0 340.380 -1.874 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045387132 673811563 /nfs/dbraw/zinc/81/15/63/673811563.db2.gz PNBLFXVFADWEQZ-UHFFFAOYSA-N 1 0 343.424 -1.319 20 0 EAADRO Cn1cc(CC(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001045387391 673811632 /nfs/dbraw/zinc/81/16/32/673811632.db2.gz USRVOMKBUPMDHS-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001045387699 673811594 /nfs/dbraw/zinc/81/15/94/673811594.db2.gz WHZPSMKKOFNDEV-UHFFFAOYSA-N 1 0 336.396 -1.540 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001045387744 673811625 /nfs/dbraw/zinc/81/16/25/673811625.db2.gz WWZOMZRAMHPUEY-UHFFFAOYSA-N 1 0 338.364 -1.480 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045387786 673811663 /nfs/dbraw/zinc/81/16/63/673811663.db2.gz XNCUUYDKBAFDNA-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC001045388011 673811659 /nfs/dbraw/zinc/81/16/59/673811659.db2.gz ZUHOXQIXBWTCDM-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cn3cccn3)C2)CC1 ZINC001045391243 673811722 /nfs/dbraw/zinc/81/17/22/673811722.db2.gz AYAMKQHCRZMWSI-UHFFFAOYSA-N 1 0 335.408 -1.086 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001045391253 673811648 /nfs/dbraw/zinc/81/16/48/673811648.db2.gz BLTNQFRBZRWLCH-UHFFFAOYSA-N 1 0 349.391 -1.173 20 0 EAADRO Cn1cncc1CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391278 673811586 /nfs/dbraw/zinc/81/15/86/673811586.db2.gz CGPQBEANKCBRIG-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3COCCO3)C2)CC1 ZINC001045391309 673811651 /nfs/dbraw/zinc/81/16/51/673811651.db2.gz DOTHZRMWWMATGB-GFCCVEGCSA-N 1 0 341.408 -1.567 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3COCCO3)C2)CC1 ZINC001045391310 673811754 /nfs/dbraw/zinc/81/17/54/673811754.db2.gz DOTHZRMWWMATGB-LBPRGKRZSA-N 1 0 341.408 -1.567 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391378 673811596 /nfs/dbraw/zinc/81/15/96/673811596.db2.gz FQMDGYOHLLEGFX-GFCCVEGCSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391379 673811636 /nfs/dbraw/zinc/81/16/36/673811636.db2.gz FQMDGYOHLLEGFX-LBPRGKRZSA-N 1 0 343.424 -1.321 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391416 673811700 /nfs/dbraw/zinc/81/17/00/673811700.db2.gz GDXRMCYOHWIUED-LLVKDONJSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391418 673811728 /nfs/dbraw/zinc/81/17/28/673811728.db2.gz GDXRMCYOHWIUED-NSHDSACASA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001045391445 673811693 /nfs/dbraw/zinc/81/16/93/673811693.db2.gz GMEROXGUSMXLOB-LLVKDONJSA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001045391446 673811673 /nfs/dbraw/zinc/81/16/73/673811673.db2.gz GMEROXGUSMXLOB-NSHDSACASA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cn3ncnn3)C2)CC1 ZINC001045391478 673811713 /nfs/dbraw/zinc/81/17/13/673811713.db2.gz GZEHLOHXFDZQJG-UHFFFAOYSA-N 1 0 337.384 -2.296 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)C(C)(C)C(N)=O)C2)CC1 ZINC001045391533 673811645 /nfs/dbraw/zinc/81/16/45/673811645.db2.gz HTYRXJRJHQRBFV-UHFFFAOYSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cc3ncc[nH]3)C2)CC1 ZINC001045391628 673811618 /nfs/dbraw/zinc/81/16/18/673811618.db2.gz ILRTYXJQNCMTIZ-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)CCCC(N)=O)C2)CC1 ZINC001045391631 673811622 /nfs/dbraw/zinc/81/16/22/673811622.db2.gz IOTFKEHXWJWURK-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cn3cncn3)C2)CC1 ZINC001045391635 673811747 /nfs/dbraw/zinc/81/17/47/673811747.db2.gz IZCDVAHBQWVUFE-UHFFFAOYSA-N 1 0 336.396 -1.691 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391668 673811732 /nfs/dbraw/zinc/81/17/32/673811732.db2.gz JZPUSJUVXDFZHI-UHFFFAOYSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001045391694 673811579 /nfs/dbraw/zinc/81/15/79/673811579.db2.gz KOLMVJUIZOSZDP-UHFFFAOYSA-N 1 0 348.403 -1.035 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CC1 ZINC001045391708 673811655 /nfs/dbraw/zinc/81/16/55/673811655.db2.gz KTPAQOIMDPUNGU-UHFFFAOYSA-N 1 0 327.385 -2.314 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001045391932 673811635 /nfs/dbraw/zinc/81/16/35/673811635.db2.gz LTGKRIOGUWMIPY-UHFFFAOYSA-N 1 0 337.384 -2.145 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391967 673811555 /nfs/dbraw/zinc/81/15/55/673811555.db2.gz MBARXFIKBFJVLP-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)C3=COCCO3)C2)CC1 ZINC001045391988 673811629 /nfs/dbraw/zinc/81/16/29/673811629.db2.gz MMVFTOJPWACJGL-UHFFFAOYSA-N 1 0 339.392 -1.094 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC001045391997 673812059 /nfs/dbraw/zinc/81/20/59/673812059.db2.gz MRBYLSZRUKRQCZ-NSHDSACASA-N 1 0 338.408 -1.704 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392001 673812016 /nfs/dbraw/zinc/81/20/16/673812016.db2.gz MSFIHPADPDEENM-UHFFFAOYSA-N 1 0 342.396 -1.626 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001045392045 673812002 /nfs/dbraw/zinc/81/20/02/673812002.db2.gz NQWGFGCQHBSSBP-UHFFFAOYSA-N 1 0 349.391 -1.173 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392077 673812007 /nfs/dbraw/zinc/81/20/07/673812007.db2.gz OGOSMBHCJOZHGK-UHFFFAOYSA-N 1 0 336.396 -1.242 20 0 EAADRO Cn1ccc(CC(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001045392136 673811911 /nfs/dbraw/zinc/81/19/11/673811911.db2.gz OSUQEMCFKWXSIR-UHFFFAOYSA-N 1 0 349.435 -1.006 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)CCNC(N)=O)C2)CC1 ZINC001045392151 673812036 /nfs/dbraw/zinc/81/20/36/673812036.db2.gz POHCGKOPHXOHPU-UHFFFAOYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001045392218 673811934 /nfs/dbraw/zinc/81/19/34/673811934.db2.gz RHBSLORTLAHZBS-JTQLQIEISA-N 1 0 339.396 -2.301 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001045392219 673811896 /nfs/dbraw/zinc/81/18/96/673811896.db2.gz RHBSLORTLAHZBS-SNVBAGLBSA-N 1 0 339.396 -2.301 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392235 673812090 /nfs/dbraw/zinc/81/20/90/673812090.db2.gz RLGMAHGAZRPTMD-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001045392331 673811892 /nfs/dbraw/zinc/81/18/92/673811892.db2.gz RRHJNTPLTIBKSK-UHFFFAOYSA-N 1 0 349.391 -1.173 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392335 673811925 /nfs/dbraw/zinc/81/19/25/673811925.db2.gz RWQBWNGMBYBXNL-LLVKDONJSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392336 673811862 /nfs/dbraw/zinc/81/18/62/673811862.db2.gz RWQBWNGMBYBXNL-NSHDSACASA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)CC1 ZINC001045392351 673811985 /nfs/dbraw/zinc/81/19/85/673811985.db2.gz SXMAFUOHKFSSSR-UHFFFAOYSA-N 1 0 335.408 -1.086 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)CS(C)(=O)=O)C2)CC1 ZINC001045392354 673811886 /nfs/dbraw/zinc/81/18/86/673811886.db2.gz TULNBUAMBZQJIO-UHFFFAOYSA-N 1 0 347.437 -1.938 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cn3nccn3)C2)CC1 ZINC001045392365 673811992 /nfs/dbraw/zinc/81/19/92/673811992.db2.gz UDBWHWFPJYUIPQ-UHFFFAOYSA-N 1 0 336.396 -1.691 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 ZINC001045392379 673812093 /nfs/dbraw/zinc/81/20/93/673812093.db2.gz UTYPZVDHBYJYTR-UHFFFAOYSA-N 1 0 349.391 -1.585 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001045392382 673812022 /nfs/dbraw/zinc/81/20/22/673812022.db2.gz UXWVHNSXCJZXEY-MNOVXSKESA-N 1 0 338.408 -1.861 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001045392403 673811909 /nfs/dbraw/zinc/81/19/09/673811909.db2.gz VZYQTIZFIFDNBO-UHFFFAOYSA-N 1 0 336.396 -1.540 20 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/nfs/dbraw/zinc/81/23/75/673812375.db2.gz FNPWHEIMSLWAPO-LLVKDONJSA-N 1 0 335.364 -1.833 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045396875 673812229 /nfs/dbraw/zinc/81/22/29/673812229.db2.gz FNPWHEIMSLWAPO-NSHDSACASA-N 1 0 335.364 -1.833 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1)[NH+](C)C ZINC001045396965 673812273 /nfs/dbraw/zinc/81/22/73/673812273.db2.gz IVLAVOTYRHBHDZ-LLVKDONJSA-N 1 0 337.380 -1.587 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1)[NH+](C)C ZINC001045396966 673812210 /nfs/dbraw/zinc/81/22/10/673812210.db2.gz IVLAVOTYRHBHDZ-NSHDSACASA-N 1 0 337.380 -1.587 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC001045397027 673812555 /nfs/dbraw/zinc/81/25/55/673812555.db2.gz LDHSIEKTORTHCN-ITGUQSILSA-N 1 0 337.420 -1.090 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001045397058 673812631 /nfs/dbraw/zinc/81/26/31/673812631.db2.gz MJEAYVWZUKIHFZ-LLVKDONJSA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001045397059 673812589 /nfs/dbraw/zinc/81/25/89/673812589.db2.gz MJEAYVWZUKIHFZ-NSHDSACASA-N 1 0 349.391 -1.585 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045397080 673812659 /nfs/dbraw/zinc/81/26/59/673812659.db2.gz MTXXGVCOSHCMHJ-UHFFFAOYSA-N 1 0 337.380 -1.585 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045397082 673812577 /nfs/dbraw/zinc/81/25/77/673812577.db2.gz MWSFUYJFZYKKEC-UHFFFAOYSA-N 1 0 337.380 -1.585 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1c[nH]c(=O)cn1 ZINC001045397092 673812466 /nfs/dbraw/zinc/81/24/66/673812466.db2.gz NFLKJSZJHRAEIM-UHFFFAOYSA-N 1 0 347.375 -1.831 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045400652 673812909 /nfs/dbraw/zinc/81/29/09/673812909.db2.gz ATMDCGPAZLPATO-LLVKDONJSA-N 1 0 349.391 -1.443 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045400653 673812935 /nfs/dbraw/zinc/81/29/35/673812935.db2.gz ATMDCGPAZLPATO-NSHDSACASA-N 1 0 349.391 -1.443 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001045400655 673813152 /nfs/dbraw/zinc/81/31/52/673813152.db2.gz AVEARLQLXRMMQJ-LLVKDONJSA-N 1 0 349.391 -1.585 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001045400656 673813202 /nfs/dbraw/zinc/81/32/02/673813202.db2.gz AVEARLQLXRMMQJ-NSHDSACASA-N 1 0 349.391 -1.585 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)CCC1 ZINC001045400916 673813253 /nfs/dbraw/zinc/81/32/53/673813253.db2.gz FLROXAOQNYHEDM-UHFFFAOYSA-N 1 0 349.391 -1.443 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045400929 673813169 /nfs/dbraw/zinc/81/31/69/673813169.db2.gz FXJGPQYXFNUZQX-GHMZBOCLSA-N 1 0 349.391 -1.729 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045400930 673813184 /nfs/dbraw/zinc/81/31/84/673813184.db2.gz FXJGPQYXFNUZQX-MNOVXSKESA-N 1 0 349.391 -1.729 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045400931 673813212 /nfs/dbraw/zinc/81/32/12/673813212.db2.gz FXJGPQYXFNUZQX-QWRGUYRKSA-N 1 0 349.391 -1.729 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045400932 673813134 /nfs/dbraw/zinc/81/31/34/673813134.db2.gz FXJGPQYXFNUZQX-WDEREUQCSA-N 1 0 349.391 -1.729 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1)C1CC1 ZINC001045401190 673813589 /nfs/dbraw/zinc/81/35/89/673813589.db2.gz MLMKSFFSIKAMFK-CYBMUJFWSA-N 1 0 349.391 -1.587 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1)C1CC1 ZINC001045401192 673813538 /nfs/dbraw/zinc/81/35/38/673813538.db2.gz MLMKSFFSIKAMFK-ZDUSSCGKSA-N 1 0 349.391 -1.587 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045401225 673813536 /nfs/dbraw/zinc/81/35/36/673813536.db2.gz NIBVBKMQXULKLY-UHFFFAOYSA-N 1 0 337.380 -1.585 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001045401226 673813608 /nfs/dbraw/zinc/81/36/08/673813608.db2.gz NIUGKZJISQHVGZ-JTQLQIEISA-N 1 0 335.364 -1.975 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001045401227 673813516 /nfs/dbraw/zinc/81/35/16/673813516.db2.gz NIUGKZJISQHVGZ-SNVBAGLBSA-N 1 0 335.364 -1.975 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)CC1 ZINC001045401251 673813615 /nfs/dbraw/zinc/81/36/15/673813615.db2.gz OGCCPVAVLRBZED-UHFFFAOYSA-N 1 0 349.391 -1.585 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045401263 673813476 /nfs/dbraw/zinc/81/34/76/673813476.db2.gz OLHORSBGEDCQFB-UHFFFAOYSA-N 1 0 337.380 -1.585 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045401522 673813600 /nfs/dbraw/zinc/81/36/00/673813600.db2.gz UHLSZRDOCUVKQF-UHFFFAOYSA-N 1 0 335.364 -1.831 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)CC1 ZINC001045401681 673813840 /nfs/dbraw/zinc/81/38/40/673813840.db2.gz WMMYKPGAVRLFMR-UHFFFAOYSA-N 1 0 349.391 -1.585 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1)C1CCC1 ZINC001045401733 673813851 /nfs/dbraw/zinc/81/38/51/673813851.db2.gz YUIBUYBNHOCXOH-UHFFFAOYSA-N 1 0 349.391 -1.443 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045401765 673813802 /nfs/dbraw/zinc/81/38/02/673813802.db2.gz ZTRPBPINFLHZGR-UHFFFAOYSA-N 1 0 337.380 -1.587 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(=O)cn3)C2)CC[N@@H+]1C ZINC001045401774 673813987 /nfs/dbraw/zinc/81/39/87/673813987.db2.gz ZZQUPIIBRPUQCB-GHMZBOCLSA-N 1 0 349.391 -1.587 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045403412 673813895 /nfs/dbraw/zinc/81/38/95/673813895.db2.gz IBXVUGDQMLTNEL-GFCCVEGCSA-N 1 0 349.391 -1.443 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001045403413 673813883 /nfs/dbraw/zinc/81/38/83/673813883.db2.gz IBXVUGDQMLTNEL-LBPRGKRZSA-N 1 0 349.391 -1.443 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 ZINC001045407726 673813831 /nfs/dbraw/zinc/81/38/31/673813831.db2.gz BPHBRQVEMGALKM-UHFFFAOYSA-N 1 0 327.381 -1.094 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 ZINC001045407755 673813956 /nfs/dbraw/zinc/81/39/56/673813956.db2.gz CBPQTXGBTFWWIO-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001045408259 673813808 /nfs/dbraw/zinc/81/38/08/673813808.db2.gz IVBBELHPBLAWTC-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001045408266 673813781 /nfs/dbraw/zinc/81/37/81/673813781.db2.gz JAFLAJKEOCEIMV-UHFFFAOYSA-N 1 0 336.392 -1.035 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045408884 673813870 /nfs/dbraw/zinc/81/38/70/673813870.db2.gz RBNKOPHLJOBTMB-LLVKDONJSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045408886 673813995 /nfs/dbraw/zinc/81/39/95/673813995.db2.gz RBNKOPHLJOBTMB-NSHDSACASA-N 1 0 328.413 -1.458 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001045408932 673813811 /nfs/dbraw/zinc/81/38/11/673813811.db2.gz RUHHAMXWLROISY-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 ZINC001045409042 673813970 /nfs/dbraw/zinc/81/39/70/673813970.db2.gz VLYFYDYABNVMFI-UHFFFAOYSA-N 1 0 340.424 -1.360 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001045412347 673813967 /nfs/dbraw/zinc/81/39/67/673813967.db2.gz AHSXTFJUPNAGJJ-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412420 673813920 /nfs/dbraw/zinc/81/39/20/673813920.db2.gz BQOGLVKMIYYSMU-UHFFFAOYSA-N 1 0 342.440 -1.068 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)C1 ZINC001045412423 673814118 /nfs/dbraw/zinc/81/41/18/673814118.db2.gz BUKSKRMOUULKSJ-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO CN1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)C1 ZINC001045412429 673814089 /nfs/dbraw/zinc/81/40/89/673814089.db2.gz BUKSKRMOUULKSJ-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001045412431 673814218 /nfs/dbraw/zinc/81/42/18/673814218.db2.gz BXBGGOOWSXXFMY-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCc2nnc[nH]2)C1 ZINC001045412458 673814148 /nfs/dbraw/zinc/81/41/48/673814148.db2.gz CBXJKAQQPSKKRZ-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001045412520 673814198 /nfs/dbraw/zinc/81/41/98/673814198.db2.gz CYUPWZCAEYSVNO-UHFFFAOYSA-N 1 0 337.380 -1.585 20 0 EAADRO Cn1nccc1CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412531 673814224 /nfs/dbraw/zinc/81/42/24/673814224.db2.gz DBKXWBCTKJXPHX-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001045412540 673814293 /nfs/dbraw/zinc/81/42/93/673814293.db2.gz DDTDXDFDWRKXLU-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001045412573 673814133 /nfs/dbraw/zinc/81/41/33/673814133.db2.gz DQNBCZQBMGKJKL-GFCCVEGCSA-N 1 0 341.408 -1.029 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001045412575 673814257 /nfs/dbraw/zinc/81/42/57/673814257.db2.gz DQNBCZQBMGKJKL-LBPRGKRZSA-N 1 0 341.408 -1.029 20 0 EAADRO CCn1nncc1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412705 673814116 /nfs/dbraw/zinc/81/41/16/673814116.db2.gz DXSAMQRDFVOOQF-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 ZINC001045412707 673814080 /nfs/dbraw/zinc/81/40/80/673814080.db2.gz DYOUBWDFBSGJIK-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO Cn1oc(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)cc1=O ZINC001045412713 673814285 /nfs/dbraw/zinc/81/42/85/673814285.db2.gz FCAIXJVVMBGJSN-UHFFFAOYSA-N 1 0 340.380 -1.377 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001045412749 673814249 /nfs/dbraw/zinc/81/42/49/673814249.db2.gz FKOLYMPCIHZSKH-UHFFFAOYSA-N 1 0 335.426 -1.938 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001045412777 669401696 /nfs/dbraw/zinc/40/16/96/669401696.db2.gz FUGDLEZFIRAKSN-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001045412780 673814202 /nfs/dbraw/zinc/81/42/02/673814202.db2.gz FUGDLEZFIRAKSN-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)NCCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412782 673814243 /nfs/dbraw/zinc/81/42/43/673814243.db2.gz FWIISWWNWWBTIP-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412807 673814155 /nfs/dbraw/zinc/81/41/55/673814155.db2.gz GJMGECNEQHFDKB-NEPJUHHUSA-N 1 0 341.408 -1.173 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412809 673814235 /nfs/dbraw/zinc/81/42/35/673814235.db2.gz GJMGECNEQHFDKB-NWDGAFQWSA-N 1 0 341.408 -1.173 20 0 EAADRO COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412812 673814212 /nfs/dbraw/zinc/81/42/12/673814212.db2.gz GJMGECNEQHFDKB-RYUDHWBXSA-N 1 0 341.408 -1.173 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412814 673814076 /nfs/dbraw/zinc/81/40/76/673814076.db2.gz GJMGECNEQHFDKB-VXGBXAGGSA-N 1 0 341.408 -1.173 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001045412858 673814272 /nfs/dbraw/zinc/81/42/72/673814272.db2.gz HJJWNIFPTMTKBT-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001045412859 673814160 /nfs/dbraw/zinc/81/41/60/673814160.db2.gz HJJWNIFPTMTKBT-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001045412887 673814279 /nfs/dbraw/zinc/81/42/79/673814279.db2.gz ICNRFRFYBVNHSD-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 ZINC001045412901 673814144 /nfs/dbraw/zinc/81/41/44/673814144.db2.gz IINLDZUAOMFRMA-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412905 673814296 /nfs/dbraw/zinc/81/42/96/673814296.db2.gz ILXAJDAZHRYNQV-UHFFFAOYSA-N 1 0 331.413 -1.319 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413053 673814139 /nfs/dbraw/zinc/81/41/39/673814139.db2.gz INQSBNNZILEZJE-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CN2CCOCC2)C1 ZINC001045413077 673814163 /nfs/dbraw/zinc/81/41/63/673814163.db2.gz JFYGYVXQJPTPCY-UHFFFAOYSA-N 1 0 342.440 -1.650 20 0 EAADRO Cn1ncc(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)c1N ZINC001045413146 673814309 /nfs/dbraw/zinc/81/43/09/673814309.db2.gz KZGJIMRKTIGKHM-UHFFFAOYSA-N 1 0 338.412 -1.353 20 0 EAADRO CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413160 673814231 /nfs/dbraw/zinc/81/42/31/673814231.db2.gz LDURIIRPRBAAKA-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001045413165 673814268 /nfs/dbraw/zinc/81/42/68/673814268.db2.gz LGJLRECPIYILGU-UHFFFAOYSA-N 1 0 341.412 -1.781 20 0 EAADRO Cc1nonc1CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413376 673814276 /nfs/dbraw/zinc/81/42/76/673814276.db2.gz MKZYHPNPLFUHGZ-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 ZINC001045413378 673814184 /nfs/dbraw/zinc/81/41/84/673814184.db2.gz MLCGFOSKKVIILI-UHFFFAOYSA-N 1 0 336.396 -1.296 20 0 EAADRO CCn1cc(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)nn1 ZINC001045413379 673814169 /nfs/dbraw/zinc/81/41/69/673814169.db2.gz MLHMSZRPYFKMHA-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)n1cncn1 ZINC001045413391 673814239 /nfs/dbraw/zinc/81/42/39/673814239.db2.gz MYLDTYPXHXMQSP-GFCCVEGCSA-N 1 0 338.412 -1.130 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)n1cncn1 ZINC001045413392 673814207 /nfs/dbraw/zinc/81/42/07/673814207.db2.gz MYLDTYPXHXMQSP-LBPRGKRZSA-N 1 0 338.412 -1.130 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001045413399 673814282 /nfs/dbraw/zinc/81/42/82/673814282.db2.gz NHJHVYNIKMDHAE-UHFFFAOYSA-N 1 0 347.437 -1.938 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413403 673814105 /nfs/dbraw/zinc/81/41/05/673814105.db2.gz NPRPGHUXRATGFV-UHFFFAOYSA-N 1 0 330.385 -1.626 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413404 673814290 /nfs/dbraw/zinc/81/42/90/673814290.db2.gz NQINNVKPYBRRTB-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413405 673814189 /nfs/dbraw/zinc/81/41/89/673814189.db2.gz NQINNVKPYBRRTB-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413411 673814302 /nfs/dbraw/zinc/81/43/02/673814302.db2.gz NSTFBGKIPWHHTL-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413412 673814193 /nfs/dbraw/zinc/81/41/93/673814193.db2.gz NSTFBGKIPWHHTL-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001045413419 673814262 /nfs/dbraw/zinc/81/42/62/673814262.db2.gz NXLXAFUOCQKHAM-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001045413420 673814069 /nfs/dbraw/zinc/81/40/69/673814069.db2.gz NXLXAFUOCQKHAM-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413438 673814271 /nfs/dbraw/zinc/81/42/71/673814271.db2.gz OPHLIVPIDDMQCP-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001045413519 673814252 /nfs/dbraw/zinc/81/42/52/673814252.db2.gz PKKVJOFJKIFWPU-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001045413520 673814180 /nfs/dbraw/zinc/81/41/80/673814180.db2.gz PKKVJOFJKIFWPU-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO CNC(=O)C1(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)CC1 ZINC001045413538 673814228 /nfs/dbraw/zinc/81/42/28/673814228.db2.gz PYVASGSCHFNXCA-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413545 673814245 /nfs/dbraw/zinc/81/42/45/673814245.db2.gz QHYHJUFOARELEZ-JTQLQIEISA-N 1 0 329.401 -1.926 20 0 EAADRO CCn1ncc(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001045413558 673814313 /nfs/dbraw/zinc/81/43/13/673814313.db2.gz QYXMRVJREHWQRQ-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO Cc1c(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)nnn1C ZINC001045413589 673814177 /nfs/dbraw/zinc/81/41/77/673814177.db2.gz STJICTXKDJGLGP-UHFFFAOYSA-N 1 0 338.412 -1.232 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001045413594 673814102 /nfs/dbraw/zinc/81/41/02/673814102.db2.gz SYAQCAUYUJAOCS-UHFFFAOYSA-N 1 0 338.412 -1.313 20 0 EAADRO CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413605 669402963 /nfs/dbraw/zinc/40/29/63/669402963.db2.gz TZBYXVNTAVTPRV-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCn2cnnn2)C1 ZINC001045413614 673814222 /nfs/dbraw/zinc/81/42/22/673814222.db2.gz UGWYUBHCGADAHE-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045413636 673814172 /nfs/dbraw/zinc/81/41/72/673814172.db2.gz UVLAQTXUNUOENI-JTQLQIEISA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001045413637 673814299 /nfs/dbraw/zinc/81/42/99/673814299.db2.gz UVLAQTXUNUOENI-SNVBAGLBSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001045413644 673814085 /nfs/dbraw/zinc/81/40/85/673814085.db2.gz VAFWSZZOYVGHEF-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001045413645 673814288 /nfs/dbraw/zinc/81/42/88/673814288.db2.gz VAFWSZZOYVGHEF-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO CCNC(=O)CCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413651 673814112 /nfs/dbraw/zinc/81/41/12/673814112.db2.gz VGOBKQRJVMHTNB-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[C@H](CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)NC(N)=O ZINC001045413655 673814216 /nfs/dbraw/zinc/81/42/16/673814216.db2.gz VMHFFWYQGCDUMK-LLVKDONJSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@@H](CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)NC(N)=O ZINC001045413656 673814109 /nfs/dbraw/zinc/81/41/09/673814109.db2.gz VMHFFWYQGCDUMK-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001045413667 673814590 /nfs/dbraw/zinc/81/45/90/673814590.db2.gz VUBISSSECSIJMU-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001045413668 673814550 /nfs/dbraw/zinc/81/45/50/673814550.db2.gz VUBISSSECSIJMU-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 ZINC001045413690 673814503 /nfs/dbraw/zinc/81/45/03/673814503.db2.gz WMCUJAGWQRXMGP-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001045413697 673814547 /nfs/dbraw/zinc/81/45/47/673814547.db2.gz WNGYNAUNNUQPFM-JTQLQIEISA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001045413698 673814412 /nfs/dbraw/zinc/81/44/12/673814412.db2.gz WNGYNAUNNUQPFM-SNVBAGLBSA-N 1 0 328.369 -1.874 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001045413702 673814574 /nfs/dbraw/zinc/81/45/74/673814574.db2.gz WUCBWGCQRQVTNB-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1 ZINC001045413703 673814537 /nfs/dbraw/zinc/81/45/37/673814537.db2.gz WUCBWGCQRQVTNB-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO Cn1cncc1CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413714 673814585 /nfs/dbraw/zinc/81/45/85/673814585.db2.gz XKLPTXAJQDVRAB-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)[nH]c1=O ZINC001045413728 673814400 /nfs/dbraw/zinc/81/44/00/673814400.db2.gz XVMZHAIVTOEKMB-UHFFFAOYSA-N 1 0 339.396 -1.229 20 0 EAADRO Cc1nnc(CC(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)o1 ZINC001045413737 673814480 /nfs/dbraw/zinc/81/44/80/673814480.db2.gz XZZDXCWVVZZPFQ-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)C1 ZINC001045413745 673814497 /nfs/dbraw/zinc/81/44/97/673814497.db2.gz YJEFUWWWADSEFT-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CN2CN=NC2=O)C1 ZINC001045413749 673814441 /nfs/dbraw/zinc/81/44/41/673814441.db2.gz YOCQXGVPVRBQEX-UHFFFAOYSA-N 1 0 340.384 -1.985 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413751 673814461 /nfs/dbraw/zinc/81/44/61/673814461.db2.gz YSPKMHIVECCXFV-UHFFFAOYSA-N 1 0 328.413 -1.504 20 0 EAADRO Cn1ccc(CC(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001045413786 673814518 /nfs/dbraw/zinc/81/45/18/673814518.db2.gz ZYOKZMVCFVXZBY-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001045416588 673814445 /nfs/dbraw/zinc/81/44/45/673814445.db2.gz AJMIYSSCPGEPIM-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO Cn1nnc(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001045416690 673814458 /nfs/dbraw/zinc/81/44/58/673814458.db2.gz BJIXWNBCJBXKQV-UHFFFAOYSA-N 1 0 325.373 -2.145 20 0 EAADRO Cn1c(C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)c[nH]c1=O ZINC001045416918 673814493 /nfs/dbraw/zinc/81/44/93/673814493.db2.gz CAMHOMNPYZIIAL-UHFFFAOYSA-N 1 0 339.396 -1.229 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001045416925 673814595 /nfs/dbraw/zinc/81/45/95/673814595.db2.gz CERKRMJHIJHYOP-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001045416926 673814469 /nfs/dbraw/zinc/81/44/69/673814469.db2.gz CERKRMJHIJHYOP-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045416939 673814507 /nfs/dbraw/zinc/81/45/07/673814507.db2.gz CVMHXYBJJAKQHH-CYBMUJFWSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045416940 673814407 /nfs/dbraw/zinc/81/44/07/673814407.db2.gz CVMHXYBJJAKQHH-ZDUSSCGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045416975 673814539 /nfs/dbraw/zinc/81/45/39/673814539.db2.gz DPEYUOYNYFZJRT-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417247 673814454 /nfs/dbraw/zinc/81/44/54/673814454.db2.gz GDERDKKAUDCGMG-LLVKDONJSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417248 673814511 /nfs/dbraw/zinc/81/45/11/673814511.db2.gz GDERDKKAUDCGMG-NSHDSACASA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001045417269 673814561 /nfs/dbraw/zinc/81/45/61/673814561.db2.gz GHAIIWBVTPOETL-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001045417270 673814473 /nfs/dbraw/zinc/81/44/73/673814473.db2.gz GHAIIWBVTPOETL-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001045417364 673814419 /nfs/dbraw/zinc/81/44/19/673814419.db2.gz HDKYWJGLRQVDOE-LLVKDONJSA-N 1 0 349.453 -1.549 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001045417365 673814564 /nfs/dbraw/zinc/81/45/64/673814564.db2.gz HDKYWJGLRQVDOE-NSHDSACASA-N 1 0 349.453 -1.549 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)CC1=O ZINC001045417436 673814542 /nfs/dbraw/zinc/81/45/42/673814542.db2.gz ISLJLNIKMBRAOI-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)CC1=O ZINC001045417437 673814440 /nfs/dbraw/zinc/81/44/40/673814440.db2.gz ISLJLNIKMBRAOI-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001045417464 673814582 /nfs/dbraw/zinc/81/45/82/673814582.db2.gz JGTSUWUDMMXWCP-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001045417466 673814592 /nfs/dbraw/zinc/81/45/92/673814592.db2.gz JGTSUWUDMMXWCP-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCc2cn[nH]n2)C1 ZINC001045417628 673814566 /nfs/dbraw/zinc/81/45/66/673814566.db2.gz JZTVOXAESYIVEB-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001045417650 673814477 /nfs/dbraw/zinc/81/44/77/673814477.db2.gz KJJPADOUROUUKU-HNNXBMFYSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001045417652 673814485 /nfs/dbraw/zinc/81/44/85/673814485.db2.gz KJJPADOUROUUKU-OAHLLOKOSA-N 1 0 340.424 -1.456 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417712 673814425 /nfs/dbraw/zinc/81/44/25/673814425.db2.gz LQMZPFBOHOQRHY-UHFFFAOYSA-N 1 0 328.413 -1.504 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001045417750 673814603 /nfs/dbraw/zinc/81/46/03/673814603.db2.gz MQDCNYNHBGKDFA-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001045417752 673814606 /nfs/dbraw/zinc/81/46/06/673814606.db2.gz MQXPDKAZYUBWCS-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001045417753 673814436 /nfs/dbraw/zinc/81/44/36/673814436.db2.gz MQXPDKAZYUBWCS-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001045417754 673814601 /nfs/dbraw/zinc/81/46/01/673814601.db2.gz MQXPDKAZYUBWCS-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001045417755 673814531 /nfs/dbraw/zinc/81/45/31/673814531.db2.gz MQXPDKAZYUBWCS-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001045417790 673814414 /nfs/dbraw/zinc/81/44/14/673814414.db2.gz NKDRRYQXHWESEZ-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001045417791 673814465 /nfs/dbraw/zinc/81/44/65/673814465.db2.gz NKDRRYQXHWESEZ-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417793 673814428 /nfs/dbraw/zinc/81/44/28/673814428.db2.gz NNYYAUCFISWRLQ-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417794 673814433 /nfs/dbraw/zinc/81/44/33/673814433.db2.gz NNYYAUCFISWRLQ-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001045417811 673814452 /nfs/dbraw/zinc/81/44/52/673814452.db2.gz NVEOFKBQJNHYNH-IMRBUKKESA-N 1 0 325.409 -1.090 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001045418001 673814552 /nfs/dbraw/zinc/81/45/52/673814552.db2.gz PVZGPMMKOVOZNF-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045418027 673814559 /nfs/dbraw/zinc/81/45/59/673814559.db2.gz QAFYRTZQEWSIKL-JSGCOSHPSA-N 1 0 343.424 -1.178 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001045418395 673814523 /nfs/dbraw/zinc/81/45/23/673814523.db2.gz UPBVVNJQAZWELM-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045418415 673814488 /nfs/dbraw/zinc/81/44/88/673814488.db2.gz UTYLHYQSEPMQHI-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045418417 673814579 /nfs/dbraw/zinc/81/45/79/673814579.db2.gz UTYLHYQSEPMQHI-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001045418512 673814526 /nfs/dbraw/zinc/81/45/26/673814526.db2.gz WFOTXZZTDAYVFW-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045418709 673814504 /nfs/dbraw/zinc/81/45/04/673814504.db2.gz XKEMMQHQOJXINO-UHFFFAOYSA-N 1 0 329.401 -2.053 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001045418777 673814598 /nfs/dbraw/zinc/81/45/98/673814598.db2.gz YGMHXUIJBGVMBC-UHFFFAOYSA-N 1 0 337.380 -1.173 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)NC1=O ZINC001045418791 673814529 /nfs/dbraw/zinc/81/45/29/673814529.db2.gz YOFCSHVAFGQORK-LLVKDONJSA-N 1 0 341.412 -1.959 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)NC1=O ZINC001045418792 673814499 /nfs/dbraw/zinc/81/44/99/673814499.db2.gz YOFCSHVAFGQORK-NSHDSACASA-N 1 0 341.412 -1.959 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCS(C)(=O)=O)C1 ZINC001045418793 673814807 /nfs/dbraw/zinc/81/48/07/673814807.db2.gz YQHYRYMJVIAVIQ-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001045418913 669403298 /nfs/dbraw/zinc/40/32/98/669403298.db2.gz YZPDEUJUDVRHTR-UHFFFAOYSA-N 1 0 328.413 -1.471 20 0 EAADRO CC1(NC(=O)[C@H]2COC(=O)N2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045425246 673814907 /nfs/dbraw/zinc/81/49/07/673814907.db2.gz NFXLSRJEMVKZHK-NXEZZACHSA-N 1 0 338.364 -1.129 20 0 EAADRO CC1(NC(=O)[C@@H]2COC(=O)N2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045425248 673814866 /nfs/dbraw/zinc/81/48/66/673814866.db2.gz NFXLSRJEMVKZHK-UWVGGRQHSA-N 1 0 338.364 -1.129 20 0 EAADRO CC1(NC(=O)[C@@H]2COC(=O)N2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045425251 673814883 /nfs/dbraw/zinc/81/48/83/673814883.db2.gz NFXLSRJEMVKZHK-VHSXEESVSA-N 1 0 338.364 -1.129 20 0 EAADRO CC1(NC(=O)[C@H]2COC(=O)N2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045425253 673814801 /nfs/dbraw/zinc/81/48/01/673814801.db2.gz NFXLSRJEMVKZHK-ZJUUUORDSA-N 1 0 338.364 -1.129 20 0 EAADRO Cn1nncc1C(=O)NC1(C)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001045426585 673814794 /nfs/dbraw/zinc/81/47/94/673814794.db2.gz DHLYZWFCCLGWFK-UHFFFAOYSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cc(C(=O)NC2(C)CC[NH+](CCN3C(=O)CNC3=O)CC2)nn1 ZINC001045429551 673814931 /nfs/dbraw/zinc/81/49/31/673814931.db2.gz FXRFCHNDIRUQMF-UHFFFAOYSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cnc(C(=O)NC2(C)CC[NH+](CCN3C(=O)CNC3=O)CC2)n1 ZINC001045431077 673814892 /nfs/dbraw/zinc/81/48/92/673814892.db2.gz IUTVIJZJIZCCII-UHFFFAOYSA-N 1 0 349.395 -1.049 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045436422 673815119 /nfs/dbraw/zinc/81/51/19/673815119.db2.gz HABWQLNRZYVRHT-NXEZZACHSA-N 1 0 327.385 -2.303 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045436423 673815182 /nfs/dbraw/zinc/81/51/82/673815182.db2.gz HABWQLNRZYVRHT-UWVGGRQHSA-N 1 0 327.385 -2.303 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045436425 673815309 /nfs/dbraw/zinc/81/53/09/673815309.db2.gz HABWQLNRZYVRHT-VHSXEESVSA-N 1 0 327.385 -2.303 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045436426 673815097 /nfs/dbraw/zinc/81/50/97/673815097.db2.gz HABWQLNRZYVRHT-ZJUUUORDSA-N 1 0 327.385 -2.303 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045436674 673815801 /nfs/dbraw/zinc/81/58/01/673815801.db2.gz QMNRYKKMANEQBL-JTQLQIEISA-N 1 0 343.384 -3.065 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045436677 673815777 /nfs/dbraw/zinc/81/57/77/673815777.db2.gz QMNRYKKMANEQBL-SNVBAGLBSA-N 1 0 343.384 -3.065 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CNC(=O)N1 ZINC001045436869 673816189 /nfs/dbraw/zinc/81/61/89/673816189.db2.gz WYPQVUMGESQRHF-JTQLQIEISA-N 1 0 337.380 -2.547 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CNC(=O)N1 ZINC001045436871 673816103 /nfs/dbraw/zinc/81/61/03/673816103.db2.gz WYPQVUMGESQRHF-SNVBAGLBSA-N 1 0 337.380 -2.547 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001045436955 673816145 /nfs/dbraw/zinc/81/61/45/673816145.db2.gz XXHPTURNWZAVPD-GHMZBOCLSA-N 1 0 339.396 -2.301 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001045436956 673816109 /nfs/dbraw/zinc/81/61/09/673816109.db2.gz XXHPTURNWZAVPD-MNOVXSKESA-N 1 0 339.396 -2.301 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001045436957 673816206 /nfs/dbraw/zinc/81/62/06/673816206.db2.gz XXHPTURNWZAVPD-QWRGUYRKSA-N 1 0 339.396 -2.301 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001045436959 673816228 /nfs/dbraw/zinc/81/62/28/673816228.db2.gz XXHPTURNWZAVPD-WDEREUQCSA-N 1 0 339.396 -2.301 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045440010 673816496 /nfs/dbraw/zinc/81/64/96/673816496.db2.gz ANBYOFIOZNZWRO-JTQLQIEISA-N 1 0 327.385 -2.301 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045440011 673816428 /nfs/dbraw/zinc/81/64/28/673816428.db2.gz ANBYOFIOZNZWRO-SNVBAGLBSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001045440206 673816844 /nfs/dbraw/zinc/81/68/44/673816844.db2.gz CMJIMPUUNHLRPK-GHMZBOCLSA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001045440207 673816849 /nfs/dbraw/zinc/81/68/49/673816849.db2.gz CMJIMPUUNHLRPK-MNOVXSKESA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001045440208 673816703 /nfs/dbraw/zinc/81/67/03/673816703.db2.gz CMJIMPUUNHLRPK-QWRGUYRKSA-N 1 0 339.396 -2.303 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001045440209 673816838 /nfs/dbraw/zinc/81/68/38/673816838.db2.gz CMJIMPUUNHLRPK-WDEREUQCSA-N 1 0 339.396 -2.303 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045440497 673816990 /nfs/dbraw/zinc/81/69/90/673816990.db2.gz FWEPDMCGGRHREW-JTQLQIEISA-N 1 0 325.369 -2.547 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045440498 673817154 /nfs/dbraw/zinc/81/71/54/673817154.db2.gz FWEPDMCGGRHREW-SNVBAGLBSA-N 1 0 325.369 -2.547 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045440511 673817062 /nfs/dbraw/zinc/81/70/62/673817062.db2.gz GFJNQGNYPJNNCI-JTQLQIEISA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045440512 673817170 /nfs/dbraw/zinc/81/71/70/673817170.db2.gz GFJNQGNYPJNNCI-SNVBAGLBSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)CCC1 ZINC001045440524 673817174 /nfs/dbraw/zinc/81/71/74/673817174.db2.gz GIQHHHQPXNQYFJ-JTQLQIEISA-N 1 0 339.396 -2.158 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)CCC1 ZINC001045440525 673817076 /nfs/dbraw/zinc/81/70/76/673817076.db2.gz GIQHHHQPXNQYFJ-SNVBAGLBSA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)CC[N@@H+]1C ZINC001045440575 673817082 /nfs/dbraw/zinc/81/70/82/673817082.db2.gz HPRMNXINWVMJQK-GMTAPVOTSA-N 1 0 339.396 -2.303 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)CC[N@@H+]1C ZINC001045440576 673817067 /nfs/dbraw/zinc/81/70/67/673817067.db2.gz HPRMNXINWVMJQK-MXWKQRLJSA-N 1 0 339.396 -2.303 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001045440665 673817472 /nfs/dbraw/zinc/81/74/72/673817472.db2.gz IFWIMYVVUKZIQX-NXEZZACHSA-N 1 0 325.369 -2.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001045440666 673817526 /nfs/dbraw/zinc/81/75/26/673817526.db2.gz IFWIMYVVUKZIQX-UWVGGRQHSA-N 1 0 325.369 -2.691 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001045440667 673817548 /nfs/dbraw/zinc/81/75/48/673817548.db2.gz IFWIMYVVUKZIQX-VHSXEESVSA-N 1 0 325.369 -2.691 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001045440669 673817562 /nfs/dbraw/zinc/81/75/62/673817562.db2.gz IFWIMYVVUKZIQX-ZJUUUORDSA-N 1 0 325.369 -2.691 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001045440693 673817513 /nfs/dbraw/zinc/81/75/13/673817513.db2.gz INOXLEGJGPMSKY-LLVKDONJSA-N 1 0 339.396 -2.301 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001045440694 673817388 /nfs/dbraw/zinc/81/73/88/673817388.db2.gz INOXLEGJGPMSKY-NSHDSACASA-N 1 0 339.396 -2.301 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045440758 673817363 /nfs/dbraw/zinc/81/73/63/673817363.db2.gz JVVNHGSDVHUZBX-JTQLQIEISA-N 1 0 327.385 -2.303 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045440760 673817410 /nfs/dbraw/zinc/81/74/10/673817410.db2.gz JVVNHGSDVHUZBX-SNVBAGLBSA-N 1 0 327.385 -2.303 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045441080 673818178 /nfs/dbraw/zinc/81/81/78/673818178.db2.gz NLOPQGXAWBVNIA-GHMZBOCLSA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045441081 673818071 /nfs/dbraw/zinc/81/80/71/673818071.db2.gz NLOPQGXAWBVNIA-MNOVXSKESA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045441082 673818145 /nfs/dbraw/zinc/81/81/45/673818145.db2.gz NLOPQGXAWBVNIA-QWRGUYRKSA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045441083 673818105 /nfs/dbraw/zinc/81/81/05/673818105.db2.gz NLOPQGXAWBVNIA-WDEREUQCSA-N 1 0 339.396 -2.158 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045441103 673818136 /nfs/dbraw/zinc/81/81/36/673818136.db2.gz NVEPWIRIAXZLPQ-JTQLQIEISA-N 1 0 341.412 -1.912 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045441104 673818080 /nfs/dbraw/zinc/81/80/80/673818080.db2.gz NVEPWIRIAXZLPQ-SNVBAGLBSA-N 1 0 341.412 -1.912 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045441510 673818745 /nfs/dbraw/zinc/81/87/45/673818745.db2.gz SJEASEAPHOIPHM-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045441511 673818799 /nfs/dbraw/zinc/81/87/99/673818799.db2.gz SJEASEAPHOIPHM-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001045441545 673818861 /nfs/dbraw/zinc/81/88/61/673818861.db2.gz SWLJPLQNGCWMBV-GHMZBOCLSA-N 1 0 339.396 -2.301 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001045441546 673818905 /nfs/dbraw/zinc/81/89/05/673818905.db2.gz SWLJPLQNGCWMBV-MNOVXSKESA-N 1 0 339.396 -2.301 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001045441547 673818916 /nfs/dbraw/zinc/81/89/16/673818916.db2.gz SWLJPLQNGCWMBV-QWRGUYRKSA-N 1 0 339.396 -2.301 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001045441548 673818698 /nfs/dbraw/zinc/81/86/98/673818698.db2.gz SWLJPLQNGCWMBV-WDEREUQCSA-N 1 0 339.396 -2.301 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045441560 673818788 /nfs/dbraw/zinc/81/87/88/673818788.db2.gz TXAOQKOVYNMLBV-JTQLQIEISA-N 1 0 327.385 -2.301 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045441562 673818714 /nfs/dbraw/zinc/81/87/14/673818714.db2.gz TXAOQKOVYNMLBV-SNVBAGLBSA-N 1 0 327.385 -2.301 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001045441568 673818835 /nfs/dbraw/zinc/81/88/35/673818835.db2.gz UASYQMDLMICUEF-JTQLQIEISA-N 1 0 339.396 -2.301 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001045441569 673818888 /nfs/dbraw/zinc/81/88/88/673818888.db2.gz UASYQMDLMICUEF-SNVBAGLBSA-N 1 0 339.396 -2.301 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045441802 673819432 /nfs/dbraw/zinc/81/94/32/673819432.db2.gz WCWCXOUENLGUBC-JTQLQIEISA-N 1 0 327.385 -2.301 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045441803 673819579 /nfs/dbraw/zinc/81/95/79/673819579.db2.gz WCWCXOUENLGUBC-SNVBAGLBSA-N 1 0 327.385 -2.301 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045441804 673819538 /nfs/dbraw/zinc/81/95/38/673819538.db2.gz WEBILPMUONORFR-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045441805 673819452 /nfs/dbraw/zinc/81/94/52/673819452.db2.gz WEBILPMUONORFR-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045441898 673819493 /nfs/dbraw/zinc/81/94/93/673819493.db2.gz XKKIHTNIQWZMCY-GHMZBOCLSA-N 1 0 341.412 -2.057 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045441899 673819458 /nfs/dbraw/zinc/81/94/58/673819458.db2.gz XKKIHTNIQWZMCY-MNOVXSKESA-N 1 0 341.412 -2.057 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045441901 673819429 /nfs/dbraw/zinc/81/94/29/673819429.db2.gz XKKIHTNIQWZMCY-QWRGUYRKSA-N 1 0 341.412 -2.057 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1)[NH+](C)C ZINC001045441902 673819439 /nfs/dbraw/zinc/81/94/39/673819439.db2.gz XKKIHTNIQWZMCY-WDEREUQCSA-N 1 0 341.412 -2.057 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001045441912 673819487 /nfs/dbraw/zinc/81/94/87/673819487.db2.gz XSFMYYQTDUYXAR-LLVKDONJSA-N 1 0 339.396 -2.158 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001045441913 673819414 /nfs/dbraw/zinc/81/94/14/673819414.db2.gz XSFMYYQTDUYXAR-NSHDSACASA-N 1 0 339.396 -2.158 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045445409 673820218 /nfs/dbraw/zinc/82/02/18/673820218.db2.gz FHWAKPVSEVRIJW-GHMZBOCLSA-N 1 0 339.396 -2.158 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045445410 673820059 /nfs/dbraw/zinc/82/00/59/673820059.db2.gz FHWAKPVSEVRIJW-MNOVXSKESA-N 1 0 339.396 -2.158 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045445411 673820230 /nfs/dbraw/zinc/82/02/30/673820230.db2.gz FHWAKPVSEVRIJW-QWRGUYRKSA-N 1 0 339.396 -2.158 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045445412 673820133 /nfs/dbraw/zinc/82/01/33/673820133.db2.gz FHWAKPVSEVRIJW-WDEREUQCSA-N 1 0 339.396 -2.158 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045445463 673820037 /nfs/dbraw/zinc/82/00/37/673820037.db2.gz GDIXGQCHXCEKHF-NXEZZACHSA-N 1 0 325.369 -2.549 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045445464 673820102 /nfs/dbraw/zinc/82/01/02/673820102.db2.gz GDIXGQCHXCEKHF-UWVGGRQHSA-N 1 0 325.369 -2.549 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001045445465 673820249 /nfs/dbraw/zinc/82/02/49/673820249.db2.gz GDIXGQCHXCEKHF-VHSXEESVSA-N 1 0 325.369 -2.549 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001045445466 673820124 /nfs/dbraw/zinc/82/01/24/673820124.db2.gz GDIXGQCHXCEKHF-ZJUUUORDSA-N 1 0 325.369 -2.549 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001045489337 673822028 /nfs/dbraw/zinc/82/20/28/673822028.db2.gz ADJCHAZAPPVZEH-UHFFFAOYSA-N 1 0 338.408 -1.717 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045489378 673821816 /nfs/dbraw/zinc/82/18/16/673821816.db2.gz ARSRVSQLIPNZJT-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045489482 669414365 /nfs/dbraw/zinc/41/43/65/669414365.db2.gz CSHCTDBGSVXMCY-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045489661 673821787 /nfs/dbraw/zinc/82/17/87/673821787.db2.gz FLCOHZYXRRZWNP-UHFFFAOYSA-N 1 0 342.396 -2.480 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045489822 673822149 /nfs/dbraw/zinc/82/21/49/673822149.db2.gz IPSLGHPOPJSHRX-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO CC1(NC(=O)c2cn[nH]n2)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001045489910 673822266 /nfs/dbraw/zinc/82/22/66/673822266.db2.gz OHEWSSKNPTUHBN-UHFFFAOYSA-N 1 0 335.368 -1.059 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001045490008 673822289 /nfs/dbraw/zinc/82/22/89/673822289.db2.gz JZGADTGIKZKNQL-LLVKDONJSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001045490009 673822282 /nfs/dbraw/zinc/82/22/82/673822282.db2.gz JZGADTGIKZKNQL-NSHDSACASA-N 1 0 340.424 -1.472 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001045490029 673822318 /nfs/dbraw/zinc/82/23/18/673822318.db2.gz KXMAURGOCDQCBD-JTQLQIEISA-N 1 0 326.397 -1.718 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001045490030 673822243 /nfs/dbraw/zinc/82/22/43/673822243.db2.gz KXMAURGOCDQCBD-SNVBAGLBSA-N 1 0 326.397 -1.718 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001045490323 673822380 /nfs/dbraw/zinc/82/23/80/673822380.db2.gz NESLJPUIVRTUNP-LLVKDONJSA-N 1 0 338.408 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001045490325 673822586 /nfs/dbraw/zinc/82/25/86/673822586.db2.gz NESLJPUIVRTUNP-NSHDSACASA-N 1 0 338.408 -1.717 20 0 EAADRO CC(C)(C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)c1cnc[nH]1 ZINC001045490455 673822419 /nfs/dbraw/zinc/82/24/19/673822419.db2.gz PKJIVOMWZPTZIB-UHFFFAOYSA-N 1 0 349.391 -1.358 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001045490474 673822851 /nfs/dbraw/zinc/82/28/51/673822851.db2.gz POMFLDXUXVOLQX-UHFFFAOYSA-N 1 0 338.408 -1.717 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045490609 673822859 /nfs/dbraw/zinc/82/28/59/673822859.db2.gz PVZAKLUAVDGTDO-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C1(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001045490701 673822895 /nfs/dbraw/zinc/82/28/95/673822895.db2.gz SWWNGZRXOQNMCB-UHFFFAOYSA-N 1 0 336.392 -1.963 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045490723 673822667 /nfs/dbraw/zinc/82/26/67/673822667.db2.gz UFJLBWDIZZCWKY-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045490955 673822724 /nfs/dbraw/zinc/82/27/24/673822724.db2.gz WSJMTTJUYWKQNP-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)CC[N@@H+]1C ZINC001045493083 673823135 /nfs/dbraw/zinc/82/31/35/673823135.db2.gz BQKIASNEQRXWQI-GHMZBOCLSA-N 1 0 338.408 -1.718 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045493125 673823190 /nfs/dbraw/zinc/82/31/90/673823190.db2.gz CPOXUVMCEUJUMC-UHFFFAOYSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001045493310 673823429 /nfs/dbraw/zinc/82/34/29/673823429.db2.gz FPYBEPMPKFDZKI-LLVKDONJSA-N 1 0 338.408 -1.717 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001045493313 673823515 /nfs/dbraw/zinc/82/35/15/673823515.db2.gz FPYBEPMPKFDZKI-NSHDSACASA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001045493318 673823524 /nfs/dbraw/zinc/82/35/24/673823524.db2.gz FRTIDYZGALCYCD-OPASDULOSA-N 1 0 338.364 -2.976 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001045493321 673823443 /nfs/dbraw/zinc/82/34/43/673823443.db2.gz FRTIDYZGALCYCD-XIRUVYRFSA-N 1 0 338.364 -2.976 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)C1CCC1 ZINC001045493390 673823538 /nfs/dbraw/zinc/82/35/38/673823538.db2.gz GQUBTYQXINYFQI-UHFFFAOYSA-N 1 0 338.408 -1.574 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)CCC1 ZINC001045493867 673823691 /nfs/dbraw/zinc/82/36/91/673823691.db2.gz MNCUHNXPBNJBON-UHFFFAOYSA-N 1 0 338.408 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045493985 673823677 /nfs/dbraw/zinc/82/36/77/673823677.db2.gz PBSKTBKIWAZBAI-LLVKDONJSA-N 1 0 338.408 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045493987 673823856 /nfs/dbraw/zinc/82/38/56/673823856.db2.gz PBSKTBKIWAZBAI-NSHDSACASA-N 1 0 338.408 -1.574 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045494074 673824091 /nfs/dbraw/zinc/82/40/91/673824091.db2.gz RCILUZOYVMNSNC-LLVKDONJSA-N 1 0 338.408 -1.574 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045494076 673824219 /nfs/dbraw/zinc/82/42/19/673824219.db2.gz RCILUZOYVMNSNC-NSHDSACASA-N 1 0 338.408 -1.574 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045494165 673824052 /nfs/dbraw/zinc/82/40/52/673824052.db2.gz SUWUVCSNTTUYAN-GHMZBOCLSA-N 1 0 338.408 -1.861 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045494166 673824027 /nfs/dbraw/zinc/82/40/27/673824027.db2.gz SUWUVCSNTTUYAN-MNOVXSKESA-N 1 0 338.408 -1.861 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045494168 673824139 /nfs/dbraw/zinc/82/41/39/673824139.db2.gz SUWUVCSNTTUYAN-QWRGUYRKSA-N 1 0 338.408 -1.861 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045494169 673824036 /nfs/dbraw/zinc/82/40/36/673824036.db2.gz SUWUVCSNTTUYAN-WDEREUQCSA-N 1 0 338.408 -1.861 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)C1CC1 ZINC001045494253 673823995 /nfs/dbraw/zinc/82/39/95/673823995.db2.gz UXFOPQUGIGTETQ-LLVKDONJSA-N 1 0 338.408 -1.718 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1)C1CC1 ZINC001045494254 673824182 /nfs/dbraw/zinc/82/41/82/673824182.db2.gz UXFOPQUGIGTETQ-NSHDSACASA-N 1 0 338.408 -1.718 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045494374 673824499 /nfs/dbraw/zinc/82/44/99/673824499.db2.gz YNPFONBTPZMMMY-UHFFFAOYSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CC1 ZINC001045496233 673824362 /nfs/dbraw/zinc/82/43/62/673824362.db2.gz ATSHSICADMXMGR-UHFFFAOYSA-N 1 0 328.369 -2.728 20 0 EAADRO CC(C)(C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001045496649 673824719 /nfs/dbraw/zinc/82/47/19/673824719.db2.gz IENYHEABPXVUSQ-UHFFFAOYSA-N 1 0 326.397 -1.574 20 0 EAADRO CCCCCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045496914 669414895 /nfs/dbraw/zinc/41/48/95/669414895.db2.gz TXCQOXDKTBOTHM-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)C(C)C ZINC001045496972 673825422 /nfs/dbraw/zinc/82/54/22/673825422.db2.gz VBZPMGDSBBYFFB-LLVKDONJSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)C(C)C ZINC001045496974 673825311 /nfs/dbraw/zinc/82/53/11/673825311.db2.gz VBZPMGDSBBYFFB-NSHDSACASA-N 1 0 328.413 -1.472 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CC1 ZINC001045497145 673825471 /nfs/dbraw/zinc/82/54/71/673825471.db2.gz YSCKDXPZZMIDMI-UHFFFAOYSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045499567 673825662 /nfs/dbraw/zinc/82/56/62/673825662.db2.gz CCCTYBRCXORBDS-LLVKDONJSA-N 1 0 326.397 -1.861 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045499569 673825678 /nfs/dbraw/zinc/82/56/78/673825678.db2.gz CCCTYBRCXORBDS-NSHDSACASA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)c1 ZINC001045499927 673825749 /nfs/dbraw/zinc/82/57/49/673825749.db2.gz IEJFSHVMWDJGNL-UHFFFAOYSA-N 1 0 334.376 -1.463 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001045500027 673825681 /nfs/dbraw/zinc/82/56/81/673825681.db2.gz JLLCJYUIBXQYSU-UHFFFAOYSA-N 1 0 338.408 -1.717 20 0 EAADRO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045500101 673826124 /nfs/dbraw/zinc/82/61/24/673826124.db2.gz LNEGVJYRZOKSEN-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045500103 673826094 /nfs/dbraw/zinc/82/60/94/673826094.db2.gz LNEGVJYRZOKSEN-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)n1 ZINC001045500233 673826149 /nfs/dbraw/zinc/82/61/49/673826149.db2.gz NYJIMXMDFUGRGB-UHFFFAOYSA-N 1 0 338.368 -2.767 20 0 EAADRO C[NH+](C)Cc1ccsc1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045500858 673826238 /nfs/dbraw/zinc/82/62/38/673826238.db2.gz XGAKMUPFMCWYGY-UHFFFAOYSA-N 1 0 340.405 -1.402 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001045503579 673826253 /nfs/dbraw/zinc/82/62/53/673826253.db2.gz ANYKAQGVESSMQG-GFCCVEGCSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001045503580 673826285 /nfs/dbraw/zinc/82/62/85/673826285.db2.gz ANYKAQGVESSMQG-LBPRGKRZSA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@H+](CCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1)C1CCCCC1 ZINC001045503674 673826690 /nfs/dbraw/zinc/82/66/90/673826690.db2.gz CZFNEDXIBLCOQJ-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045504036 673826695 /nfs/dbraw/zinc/82/66/95/673826695.db2.gz GMZFUTQHIWRRCG-UHFFFAOYSA-N 1 0 334.376 -1.463 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001045504100 673826511 /nfs/dbraw/zinc/82/65/11/673826511.db2.gz HTQSLDSWNGGXAA-LLVKDONJSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001045504102 673826944 /nfs/dbraw/zinc/82/69/44/673826944.db2.gz HTQSLDSWNGGXAA-NSHDSACASA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CCCCC1 ZINC001045504133 673826828 /nfs/dbraw/zinc/82/68/28/673826828.db2.gz IJPHXGPJGVXELP-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001045504464 673826964 /nfs/dbraw/zinc/82/69/64/673826964.db2.gz LVNIIMUZMQJXRH-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001045504489 673827227 /nfs/dbraw/zinc/82/72/27/673827227.db2.gz MCGRNSMQUCOABD-NXEZZACHSA-N 1 0 326.353 -2.976 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001045504490 673827181 /nfs/dbraw/zinc/82/71/81/673827181.db2.gz MCGRNSMQUCOABD-UWVGGRQHSA-N 1 0 326.353 -2.976 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001045504492 673827276 /nfs/dbraw/zinc/82/72/76/673827276.db2.gz MCGRNSMQUCOABD-VHSXEESVSA-N 1 0 326.353 -2.976 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001045504494 673827255 /nfs/dbraw/zinc/82/72/55/673827255.db2.gz MCGRNSMQUCOABD-ZJUUUORDSA-N 1 0 326.353 -2.976 20 0 EAADRO C[NH+](C)C1(CC(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CCCC1 ZINC001045505176 673827568 /nfs/dbraw/zinc/82/75/68/673827568.db2.gz WROROAVUNWMRJC-UHFFFAOYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[NH+](C)CCc1ccccc1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045505213 673827623 /nfs/dbraw/zinc/82/76/23/673827623.db2.gz YBNPGWALQYYNCA-UHFFFAOYSA-N 1 0 348.403 -1.421 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045508882 673827943 /nfs/dbraw/zinc/82/79/43/673827943.db2.gz BESVESXNIJLHMS-JTQLQIEISA-N 1 0 328.369 -2.730 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045508883 673827894 /nfs/dbraw/zinc/82/78/94/673827894.db2.gz BESVESXNIJLHMS-SNVBAGLBSA-N 1 0 328.369 -2.730 20 0 EAADRO C[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001045508888 673827901 /nfs/dbraw/zinc/82/79/01/673827901.db2.gz BQJGNKCDEDGOTQ-LLVKDONJSA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCCCC1 ZINC001045508889 673827804 /nfs/dbraw/zinc/82/78/04/673827804.db2.gz BQJGNKCDEDGOTQ-NSHDSACASA-N 1 0 326.397 -1.574 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509209 673828222 /nfs/dbraw/zinc/82/82/22/673828222.db2.gz HHXNYSHIGPDYOP-LLVKDONJSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509211 673828250 /nfs/dbraw/zinc/82/82/50/673828250.db2.gz HHXNYSHIGPDYOP-NSHDSACASA-N 1 0 326.397 -1.576 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001045509365 673828196 /nfs/dbraw/zinc/82/81/96/673828196.db2.gz JLYMFUCNOHTNND-GFCCVEGCSA-N 1 0 338.408 -1.432 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001045509366 673828208 /nfs/dbraw/zinc/82/82/08/673828208.db2.gz JLYMFUCNOHTNND-LBPRGKRZSA-N 1 0 338.408 -1.432 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509427 673828185 /nfs/dbraw/zinc/82/81/85/673828185.db2.gz LGEKDWYCZXJUAL-LLVKDONJSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509428 673828259 /nfs/dbraw/zinc/82/82/59/673828259.db2.gz LGEKDWYCZXJUAL-NSHDSACASA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509716 673828526 /nfs/dbraw/zinc/82/85/26/673828526.db2.gz PYMMCQAJBMXWBI-UHFFFAOYSA-N 1 0 342.396 -2.480 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509806 673828544 /nfs/dbraw/zinc/82/85/44/673828544.db2.gz SKDLYTGJVOUNFD-LLVKDONJSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509807 673828387 /nfs/dbraw/zinc/82/83/87/673828387.db2.gz SKDLYTGJVOUNFD-NSHDSACASA-N 1 0 326.397 -1.576 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045510164 673828852 /nfs/dbraw/zinc/82/88/52/673828852.db2.gz ZABMXRUPRYEXJJ-LLVKDONJSA-N 1 0 326.397 -1.717 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045510165 673828689 /nfs/dbraw/zinc/82/86/89/673828689.db2.gz ZABMXRUPRYEXJJ-NSHDSACASA-N 1 0 326.397 -1.717 20 0 EAADRO C[C@@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001045511072 673828640 /nfs/dbraw/zinc/82/86/40/673828640.db2.gz UTBKXHQNRRNXSA-MNOVXSKESA-N 1 0 347.437 -1.749 20 0 EAADRO C[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001045511073 673828740 /nfs/dbraw/zinc/82/87/40/673828740.db2.gz UTBKXHQNRRNXSA-QWRGUYRKSA-N 1 0 347.437 -1.749 20 0 EAADRO CC1(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[NH+](CCCO)CC1 ZINC001045511121 673828698 /nfs/dbraw/zinc/82/86/98/673828698.db2.gz XACPRFBSEWSXGV-NSHDSACASA-N 1 0 347.437 -1.747 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045513128 673828949 /nfs/dbraw/zinc/82/89/49/673828949.db2.gz DBODCCAMNNATJV-JTQLQIEISA-N 1 0 328.369 -2.871 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045513130 673829055 /nfs/dbraw/zinc/82/90/55/673829055.db2.gz DBODCCAMNNATJV-SNVBAGLBSA-N 1 0 328.369 -2.871 20 0 EAADRO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045513163 673828966 /nfs/dbraw/zinc/82/89/66/673828966.db2.gz FGIKPBLKVDODLW-UHFFFAOYSA-N 1 0 340.424 -1.186 20 0 EAADRO C[NH+](C)CCc1ccc(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)cc1 ZINC001045513273 673829066 /nfs/dbraw/zinc/82/90/66/673829066.db2.gz HMBDAQIQGBCSJA-UHFFFAOYSA-N 1 0 348.403 -1.421 20 0 EAADRO Cc1c(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001045513476 673829310 /nfs/dbraw/zinc/82/93/10/673829310.db2.gz KIIMGARDVSNENH-UHFFFAOYSA-N 1 0 331.332 -1.569 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001045513862 669417150 /nfs/dbraw/zinc/41/71/50/669417150.db2.gz RBARYAHIMZVOCR-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO C[C@H](COCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001045513904 673829531 /nfs/dbraw/zinc/82/95/31/673829531.db2.gz SBQHWYHBNCHZMA-LLVKDONJSA-N 1 0 342.396 -2.338 20 0 EAADRO C[C@@H](COCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001045513906 673829577 /nfs/dbraw/zinc/82/95/77/673829577.db2.gz SBQHWYHBNCHZMA-NSHDSACASA-N 1 0 342.396 -2.338 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045513936 673829633 /nfs/dbraw/zinc/82/96/33/673829633.db2.gz SZENVJPZIZNYAF-HNNXBMFYSA-N 1 0 344.387 -1.626 20 0 EAADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045513938 673829650 /nfs/dbraw/zinc/82/96/50/673829650.db2.gz SZENVJPZIZNYAF-OAHLLOKOSA-N 1 0 344.387 -1.626 20 0 EAADRO CN(CCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1)c1cc[nH+]cc1 ZINC001045514258 673829956 /nfs/dbraw/zinc/82/99/56/673829956.db2.gz YXWYMVCPBKAYCY-UHFFFAOYSA-N 1 0 335.364 -1.917 20 0 EAADRO C[N@H+](CCc1ccccc1)CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045514277 673830028 /nfs/dbraw/zinc/83/00/28/673830028.db2.gz ZYZJOCPYCDHSAL-UHFFFAOYSA-N 1 0 348.403 -1.664 20 0 EAADRO C[NH+](C)CCn1cc(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)cn1 ZINC001045517692 673830023 /nfs/dbraw/zinc/83/00/23/673830023.db2.gz IKUFLUHCOPLNNK-UHFFFAOYSA-N 1 0 338.368 -2.767 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC2(C)CC[NH+]([C@@H]3CCNC3=O)CC2)c1=O ZINC001045521493 673830420 /nfs/dbraw/zinc/83/04/20/673830420.db2.gz YCVJKUWVRBGRRQ-LLVKDONJSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC2(C)CC[NH+]([C@H]3CCNC3=O)CC2)c1=O ZINC001045521494 673830618 /nfs/dbraw/zinc/83/06/18/673830618.db2.gz YCVJKUWVRBGRRQ-NSHDSACASA-N 1 0 349.391 -1.041 20 0 EAADRO NC(=O)C(=O)NCC1(O)CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001045521708 673830733 /nfs/dbraw/zinc/83/07/33/673830733.db2.gz MNQSBTXKCJVSJW-UHFFFAOYSA-N 1 0 344.331 -1.944 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)cc1 ZINC001045521734 673830716 /nfs/dbraw/zinc/83/07/16/673830716.db2.gz NNMBARJQRRUAPX-UHFFFAOYSA-N 1 0 334.376 -1.463 20 0 EAADRO CC[N@H+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)c1ccccc1 ZINC001045521765 673830692 /nfs/dbraw/zinc/83/06/92/673830692.db2.gz OQUHTZKDJQKDCP-CYBMUJFWSA-N 1 0 348.403 -1.146 20 0 EAADRO CC[N@H+](C)[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)c1ccccc1 ZINC001045521766 673830720 /nfs/dbraw/zinc/83/07/20/673830720.db2.gz OQUHTZKDJQKDCP-ZDUSSCGKSA-N 1 0 348.403 -1.146 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045521861 673830847 /nfs/dbraw/zinc/83/08/47/673830847.db2.gz SJNWJLHQGLUXOJ-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045521862 673830869 /nfs/dbraw/zinc/83/08/69/673830869.db2.gz SJNWJLHQGLUXOJ-MNOVXSKESA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045521863 673830856 /nfs/dbraw/zinc/83/08/56/673830856.db2.gz SJNWJLHQGLUXOJ-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045521864 673830810 /nfs/dbraw/zinc/83/08/10/673830810.db2.gz SJNWJLHQGLUXOJ-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@](C)(C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)c1ccccc1 ZINC001045521882 673830886 /nfs/dbraw/zinc/83/08/86/673830886.db2.gz UDKXFKJEMMTFBB-INIZCTEOSA-N 1 0 348.403 -1.362 20 0 EAADRO C[NH+](C)[C@@](C)(C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)c1ccccc1 ZINC001045521883 673830900 /nfs/dbraw/zinc/83/09/00/673830900.db2.gz UDKXFKJEMMTFBB-MRXNPFEDSA-N 1 0 348.403 -1.362 20 0 EAADRO CC1(NC(=O)[C@@H]2CCNC2=O)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045524911 673831112 /nfs/dbraw/zinc/83/11/12/673831112.db2.gz YTKHCKXPDZQJCC-GHMZBOCLSA-N 1 0 336.392 -1.102 20 0 EAADRO CC1(NC(=O)[C@@H]2CCNC2=O)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045524912 673831116 /nfs/dbraw/zinc/83/11/16/673831116.db2.gz YTKHCKXPDZQJCC-MNOVXSKESA-N 1 0 336.392 -1.102 20 0 EAADRO CC1(NC(=O)[C@H]2CCNC2=O)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045524913 673831146 /nfs/dbraw/zinc/83/11/46/673831146.db2.gz YTKHCKXPDZQJCC-QWRGUYRKSA-N 1 0 336.392 -1.102 20 0 EAADRO CC1(NC(=O)[C@H]2CCNC2=O)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045524914 673831151 /nfs/dbraw/zinc/83/11/51/673831151.db2.gz YTKHCKXPDZQJCC-WDEREUQCSA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1nnc(C(=O)NC2(C)CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)n1 ZINC001045526676 673831122 /nfs/dbraw/zinc/83/11/22/673831122.db2.gz KEFYPMRRHRDOCY-SECBINFHSA-N 1 0 335.368 -1.400 20 0 EAADRO Cn1nnc(C(=O)NC2(C)CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)n1 ZINC001045526679 673831107 /nfs/dbraw/zinc/83/11/07/673831107.db2.gz KEFYPMRRHRDOCY-VIFPVBQESA-N 1 0 335.368 -1.400 20 0 EAADRO Cn1nnc(C(=O)NC2(C)CC[NH+](CCN3CCNC3=O)CC2)n1 ZINC001045526872 673831104 /nfs/dbraw/zinc/83/11/04/673831104.db2.gz OHQAOSUDMZNEIX-UHFFFAOYSA-N 1 0 336.400 -1.180 20 0 EAADRO Cn1nnc(C(=O)NC2(C)CC[NH+](CCN3C(=O)CCC3=O)CC2)n1 ZINC001045527239 673831110 /nfs/dbraw/zinc/83/11/10/673831110.db2.gz ZEIIBIYDMRSZCX-UHFFFAOYSA-N 1 0 349.395 -1.057 20 0 EAADRO Cc1nocc1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045531355 673831092 /nfs/dbraw/zinc/83/10/92/673831092.db2.gz DLUNDARSVPECTJ-UHFFFAOYSA-N 1 0 340.380 -1.136 20 0 EAADRO CC1(NC(=O)[C@H]2CNC(=O)N2)CC[NH+](CCN2CCNC2=O)CC1 ZINC001045542208 673831847 /nfs/dbraw/zinc/83/18/47/673831847.db2.gz HTWNOVGEENMCHK-LLVKDONJSA-N 1 0 338.412 -1.336 20 0 EAADRO CC1(NC(=O)[C@@H]2CNC(=O)N2)CC[NH+](CCN2CCNC2=O)CC1 ZINC001045542209 673831814 /nfs/dbraw/zinc/83/18/14/673831814.db2.gz HTWNOVGEENMCHK-NSHDSACASA-N 1 0 338.412 -1.336 20 0 EAADRO CC1(NC(=O)[C@H]2CNC(=O)N2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045542221 673831642 /nfs/dbraw/zinc/83/16/42/673831642.db2.gz HZTNUYLBDRGJLE-NXEZZACHSA-N 1 0 337.380 -1.556 20 0 EAADRO CC1(NC(=O)[C@@H]2CNC(=O)N2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045542222 673831720 /nfs/dbraw/zinc/83/17/20/673831720.db2.gz HZTNUYLBDRGJLE-UWVGGRQHSA-N 1 0 337.380 -1.556 20 0 EAADRO CC1(NC(=O)[C@@H]2CNC(=O)N2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045542223 673831665 /nfs/dbraw/zinc/83/16/65/673831665.db2.gz HZTNUYLBDRGJLE-VHSXEESVSA-N 1 0 337.380 -1.556 20 0 EAADRO CC1(NC(=O)[C@H]2CNC(=O)N2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045542224 673831691 /nfs/dbraw/zinc/83/16/91/673831691.db2.gz HZTNUYLBDRGJLE-ZJUUUORDSA-N 1 0 337.380 -1.556 20 0 EAADRO CC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045557997 673832875 /nfs/dbraw/zinc/83/28/75/673832875.db2.gz BUXYAEGAALOJMB-OUAUKWLOSA-N 1 0 336.392 -1.116 20 0 EAADRO CC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045557998 673832965 /nfs/dbraw/zinc/83/29/65/673832965.db2.gz BUXYAEGAALOJMB-VWYCJHECSA-N 1 0 336.392 -1.116 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001045558066 673832918 /nfs/dbraw/zinc/83/29/18/673832918.db2.gz CQOSYJRRYLHETQ-GARJFASQSA-N 1 0 326.397 -1.136 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001045558068 673833015 /nfs/dbraw/zinc/83/30/15/673833015.db2.gz CQOSYJRRYLHETQ-OUAUKWLOSA-N 1 0 326.397 -1.136 20 0 EAADRO CC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001045558327 673832831 /nfs/dbraw/zinc/83/28/31/673832831.db2.gz KLTCZNFICQHCGX-GRYCIOLGSA-N 1 0 338.408 -1.122 20 0 EAADRO CC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001045558398 673832985 /nfs/dbraw/zinc/83/29/85/673832985.db2.gz KLTCZNFICQHCGX-SDDRHHMPSA-N 1 0 338.408 -1.122 20 0 EAADRO CCCn1cc(C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001045569009 673833472 /nfs/dbraw/zinc/83/34/72/673833472.db2.gz FIHAMJPQYJEFCF-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001045573318 673833871 /nfs/dbraw/zinc/83/38/71/673833871.db2.gz MJFBTYKQZSXIDD-GFCCVEGCSA-N 1 0 336.396 -1.305 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001045573321 673833821 /nfs/dbraw/zinc/83/38/21/673833821.db2.gz MJFBTYKQZSXIDD-LBPRGKRZSA-N 1 0 336.396 -1.305 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045574919 673834270 /nfs/dbraw/zinc/83/42/70/673834270.db2.gz BZNUAPUFSIAKBU-UWVGGRQHSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045574920 673834211 /nfs/dbraw/zinc/83/42/11/673834211.db2.gz BZNUAPUFSIAKBU-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045575262 673834083 /nfs/dbraw/zinc/83/40/83/673834083.db2.gz ICTOCJAPBLLFPK-UWVGGRQHSA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045575263 673834069 /nfs/dbraw/zinc/83/40/69/673834069.db2.gz ICTOCJAPBLLFPK-VHSXEESVSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045575482 673834181 /nfs/dbraw/zinc/83/41/81/673834181.db2.gz IUTFVPUFOLBCTG-BDAKNGLRSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045575483 673834217 /nfs/dbraw/zinc/83/42/17/673834217.db2.gz IUTFVPUFOLBCTG-IUCAKERBSA-N 1 0 325.369 -1.571 20 0 EAADRO CC1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[NH+](CCn2cncn2)CC1 ZINC001045575715 673834274 /nfs/dbraw/zinc/83/42/74/673834274.db2.gz OIBNHXALQGAAQJ-NSHDSACASA-N 1 0 349.395 -1.153 20 0 EAADRO CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045575814 673834224 /nfs/dbraw/zinc/83/42/24/673834224.db2.gz SEASCOJDBRQERP-JTQLQIEISA-N 1 0 339.396 -1.357 20 0 EAADRO CC1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001045575947 673834049 /nfs/dbraw/zinc/83/40/49/673834049.db2.gz VWRLQJXXMRFWDX-UWVGGRQHSA-N 1 0 337.380 -1.556 20 0 EAADRO CC1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001045575948 673834237 /nfs/dbraw/zinc/83/42/37/673834237.db2.gz VWRLQJXXMRFWDX-VHSXEESVSA-N 1 0 337.380 -1.556 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001045577747 673834423 /nfs/dbraw/zinc/83/44/23/673834423.db2.gz IPZAVQAUTTVOAN-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001045577766 673834454 /nfs/dbraw/zinc/83/44/54/673834454.db2.gz JQINUPLSVFTNNW-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001045577897 673834625 /nfs/dbraw/zinc/83/46/25/673834625.db2.gz LDXJQDWQRARUGG-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001045577917 673834482 /nfs/dbraw/zinc/83/44/82/673834482.db2.gz LUYFBOVBGCNYDI-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001045577928 673834535 /nfs/dbraw/zinc/83/45/35/673834535.db2.gz MKEOWPDFZZXCQN-LLVKDONJSA-N 1 0 336.396 -1.447 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001045577929 673834517 /nfs/dbraw/zinc/83/45/17/673834517.db2.gz MKEOWPDFZZXCQN-NSHDSACASA-N 1 0 336.396 -1.447 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1)[NH+](C)C ZINC001045577937 673834443 /nfs/dbraw/zinc/83/44/43/673834443.db2.gz MPMICLPKBRAAOF-GFCCVEGCSA-N 1 0 338.412 -1.059 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1)[NH+](C)C ZINC001045577938 673834432 /nfs/dbraw/zinc/83/44/32/673834432.db2.gz MPMICLPKBRAAOF-LBPRGKRZSA-N 1 0 338.412 -1.059 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001045578177 673834586 /nfs/dbraw/zinc/83/45/86/673834586.db2.gz OZGNKHVDWKRXPX-UHFFFAOYSA-N 1 0 336.396 -1.303 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001045578273 673834938 /nfs/dbraw/zinc/83/49/38/673834938.db2.gz RMVBKLOEWSQXQQ-UHFFFAOYSA-N 1 0 338.412 -1.059 20 0 EAADRO CCn1cc(C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001045578704 673834907 /nfs/dbraw/zinc/83/49/07/673834907.db2.gz ZLDVQHBWSDQRCN-UHFFFAOYSA-N 1 0 348.407 -1.303 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001045584673 673835257 /nfs/dbraw/zinc/83/52/57/673835257.db2.gz JXMQQIYBDYVOMD-GHMZBOCLSA-N 1 0 346.453 -1.135 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001045584677 673835217 /nfs/dbraw/zinc/83/52/17/673835217.db2.gz JXMQQIYBDYVOMD-MNOVXSKESA-N 1 0 346.453 -1.135 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001045584680 673835245 /nfs/dbraw/zinc/83/52/45/673835245.db2.gz JXMQQIYBDYVOMD-QWRGUYRKSA-N 1 0 346.453 -1.135 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001045584682 673835176 /nfs/dbraw/zinc/83/51/76/673835176.db2.gz JXMQQIYBDYVOMD-WDEREUQCSA-N 1 0 346.453 -1.135 20 0 EAADRO CC1(NC(=O)C2CC(=O)NC(=O)C2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001045586586 673835230 /nfs/dbraw/zinc/83/52/30/673835230.db2.gz KREDJROZGFDTMO-LLVKDONJSA-N 1 0 336.392 -1.102 20 0 EAADRO CC1(NC(=O)C2CC(=O)NC(=O)C2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001045586614 673835226 /nfs/dbraw/zinc/83/52/26/673835226.db2.gz KREDJROZGFDTMO-NSHDSACASA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1ncc(C(=O)NC2(C)CC[NH+](CCN3C(=O)CNC3=O)CC2)n1 ZINC001045588956 673835150 /nfs/dbraw/zinc/83/51/50/673835150.db2.gz TUWKBTNUDMOMEI-UHFFFAOYSA-N 1 0 349.395 -1.049 20 0 EAADRO CC1(NC(=O)c2nnc[nH]2)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001045591187 673835087 /nfs/dbraw/zinc/83/50/87/673835087.db2.gz LLUODZOVOQVYHX-UHFFFAOYSA-N 1 0 335.368 -1.059 20 0 EAADRO COC[C@H](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045625742 669437889 /nfs/dbraw/zinc/43/78/89/669437889.db2.gz DBSORNFUKANPHR-CYBMUJFWSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045625743 669438077 /nfs/dbraw/zinc/43/80/77/669438077.db2.gz DBSORNFUKANPHR-ZDUSSCGKSA-N 1 0 345.440 -1.073 20 0 EAADRO Cn1cc(C(=O)NC2(C)CC[NH+]([C@@H]3CCNC3=O)CC2)c(=O)[nH]c1=O ZINC001045638437 673836792 /nfs/dbraw/zinc/83/67/92/673836792.db2.gz AWWBDGSVBRQEBQ-LLVKDONJSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1cc(C(=O)NC2(C)CC[NH+]([C@H]3CCNC3=O)CC2)c(=O)[nH]c1=O ZINC001045638438 673836636 /nfs/dbraw/zinc/83/66/36/673836636.db2.gz AWWBDGSVBRQEBQ-NSHDSACASA-N 1 0 349.391 -1.041 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001045639032 673836644 /nfs/dbraw/zinc/83/66/44/673836644.db2.gz WUIXPXUYUZAANO-SECBINFHSA-N 1 0 337.380 -1.056 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001045639033 673836860 /nfs/dbraw/zinc/83/68/60/673836860.db2.gz WUIXPXUYUZAANO-VIFPVBQESA-N 1 0 337.380 -1.056 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001045640731 673836700 /nfs/dbraw/zinc/83/67/00/673836700.db2.gz AAIYUOOXXSOTCM-UHFFFAOYSA-N 1 0 349.391 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 ZINC001045640756 673836745 /nfs/dbraw/zinc/83/67/45/673836745.db2.gz AVKCUMHJHPNYPE-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001045641127 673836667 /nfs/dbraw/zinc/83/66/67/673836667.db2.gz JGMVKXOUXAVNKW-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 ZINC001045641182 669451275 /nfs/dbraw/zinc/45/12/75/669451275.db2.gz KQWKAQDVMFBNKL-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 ZINC001045641531 669451243 /nfs/dbraw/zinc/45/12/43/669451243.db2.gz PWAFRLDERRDFKC-UHFFFAOYSA-N 1 0 339.396 -1.048 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1)[NH+](C)C ZINC001045641785 673836943 /nfs/dbraw/zinc/83/69/43/673836943.db2.gz UJQNNIWHFOQYLU-GFCCVEGCSA-N 1 0 339.396 -1.050 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1)[NH+](C)C ZINC001045641786 673837207 /nfs/dbraw/zinc/83/72/07/673837207.db2.gz UJQNNIWHFOQYLU-LBPRGKRZSA-N 1 0 339.396 -1.050 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001045641791 673837012 /nfs/dbraw/zinc/83/70/12/673837012.db2.gz URZWLXSPEIZVJS-UHFFFAOYSA-N 1 0 325.369 -1.438 20 0 EAADRO CC1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001045642361 673837171 /nfs/dbraw/zinc/83/71/71/673837171.db2.gz ASTDXKBQGDFSBE-GHMZBOCLSA-N 1 0 344.437 -1.463 20 0 EAADRO CC1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001045642362 673837065 /nfs/dbraw/zinc/83/70/65/673837065.db2.gz ASTDXKBQGDFSBE-MNOVXSKESA-N 1 0 344.437 -1.463 20 0 EAADRO CC1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001045642363 673837074 /nfs/dbraw/zinc/83/70/74/673837074.db2.gz ASTDXKBQGDFSBE-QWRGUYRKSA-N 1 0 344.437 -1.463 20 0 EAADRO CC1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001045642364 673836965 /nfs/dbraw/zinc/83/69/65/673836965.db2.gz ASTDXKBQGDFSBE-WDEREUQCSA-N 1 0 344.437 -1.463 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045642585 673837134 /nfs/dbraw/zinc/83/71/34/673837134.db2.gz JCKMPUXJDTXBJR-NXEZZACHSA-N 1 0 332.426 -1.477 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045642586 673837199 /nfs/dbraw/zinc/83/71/99/673837199.db2.gz JCKMPUXJDTXBJR-UWVGGRQHSA-N 1 0 332.426 -1.477 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045642587 673837021 /nfs/dbraw/zinc/83/70/21/673837021.db2.gz JCKMPUXJDTXBJR-VHSXEESVSA-N 1 0 332.426 -1.477 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045642588 673837030 /nfs/dbraw/zinc/83/70/30/673837030.db2.gz JCKMPUXJDTXBJR-ZJUUUORDSA-N 1 0 332.426 -1.477 20 0 EAADRO CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045642684 673836935 /nfs/dbraw/zinc/83/69/35/673836935.db2.gz LQXJTXQHUVEUAQ-LLVKDONJSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045642685 673837186 /nfs/dbraw/zinc/83/71/86/673837186.db2.gz LQXJTXQHUVEUAQ-NSHDSACASA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045642992 673836906 /nfs/dbraw/zinc/83/69/06/673836906.db2.gz SYEXMARUHZGOKN-GHMZBOCLSA-N 1 0 346.453 -1.217 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045642993 673837157 /nfs/dbraw/zinc/83/71/57/673837157.db2.gz SYEXMARUHZGOKN-MNOVXSKESA-N 1 0 346.453 -1.217 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045642994 673837116 /nfs/dbraw/zinc/83/71/16/673837116.db2.gz SYEXMARUHZGOKN-QWRGUYRKSA-N 1 0 346.453 -1.217 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045642995 673837085 /nfs/dbraw/zinc/83/70/85/673837085.db2.gz SYEXMARUHZGOKN-WDEREUQCSA-N 1 0 346.453 -1.217 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045643052 673837128 /nfs/dbraw/zinc/83/71/28/673837128.db2.gz WHFZEQQDHHFBDI-GHMZBOCLSA-N 1 0 346.453 -1.087 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045643053 673837017 /nfs/dbraw/zinc/83/70/17/673837017.db2.gz WHFZEQQDHHFBDI-MNOVXSKESA-N 1 0 346.453 -1.087 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045643054 673836912 /nfs/dbraw/zinc/83/69/12/673836912.db2.gz WHFZEQQDHHFBDI-QWRGUYRKSA-N 1 0 346.453 -1.087 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045643055 673837203 /nfs/dbraw/zinc/83/72/03/673837203.db2.gz WHFZEQQDHHFBDI-WDEREUQCSA-N 1 0 346.453 -1.087 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001045643836 673837053 /nfs/dbraw/zinc/83/70/53/673837053.db2.gz BZNWBFNTWZYNKG-GFCCVEGCSA-N 1 0 337.380 -1.296 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001045643837 673837095 /nfs/dbraw/zinc/83/70/95/673837095.db2.gz BZNWBFNTWZYNKG-LBPRGKRZSA-N 1 0 337.380 -1.296 20 0 EAADRO CC1(NC(=O)c2cn(CC(N)=O)nn2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001045645912 673837404 /nfs/dbraw/zinc/83/74/04/673837404.db2.gz KKPUTUCDFRIJFH-LLVKDONJSA-N 1 0 349.395 -1.764 20 0 EAADRO CC1(NC(=O)c2cn(CC(N)=O)nn2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001045645913 673837462 /nfs/dbraw/zinc/83/74/62/673837462.db2.gz KKPUTUCDFRIJFH-NSHDSACASA-N 1 0 349.395 -1.764 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NC2(C)CC[NH+](CCO)CC2)nn1 ZINC001045646653 673837347 /nfs/dbraw/zinc/83/73/47/673837347.db2.gz OVACFIHCJIUUTP-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045648001 673837706 /nfs/dbraw/zinc/83/77/06/673837706.db2.gz DYCFVCKMVLFRSP-LLVKDONJSA-N 1 0 337.380 -1.438 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001045648002 673837719 /nfs/dbraw/zinc/83/77/19/673837719.db2.gz DYCFVCKMVLFRSP-NSHDSACASA-N 1 0 337.380 -1.438 20 0 EAADRO Cc1nonc1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001045648160 673837835 /nfs/dbraw/zinc/83/78/35/673837835.db2.gz JMEMFPQSGDHNKK-UHFFFAOYSA-N 1 0 337.380 -1.294 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CC1 ZINC001045652389 673837613 /nfs/dbraw/zinc/83/76/13/673837613.db2.gz LCTIKDPNOOMXFZ-UHFFFAOYSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC1 ZINC001045652499 673837796 /nfs/dbraw/zinc/83/77/96/673837796.db2.gz MNUDJLHUPSNHAO-UHFFFAOYSA-N 1 0 340.424 -1.328 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3COCCO3)C2)CC1 ZINC001045662597 673838020 /nfs/dbraw/zinc/83/80/20/673838020.db2.gz DBHLTFOCNPEFLO-CHWSQXEVSA-N 1 0 341.408 -1.126 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3COCCO3)C2)CC1 ZINC001045662602 673838110 /nfs/dbraw/zinc/83/81/10/673838110.db2.gz DBHLTFOCNPEFLO-OLZOCXBDSA-N 1 0 341.408 -1.126 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3COCCO3)C2)CC1 ZINC001045662603 673838033 /nfs/dbraw/zinc/83/80/33/673838033.db2.gz DBHLTFOCNPEFLO-QWHCGFSZSA-N 1 0 341.408 -1.126 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3COCCO3)C2)CC1 ZINC001045662606 673838154 /nfs/dbraw/zinc/83/81/54/673838154.db2.gz DBHLTFOCNPEFLO-STQMWFEESA-N 1 0 341.408 -1.126 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001045663645 673838148 /nfs/dbraw/zinc/83/81/48/673838148.db2.gz AVGKWGVRESHBMV-NWDGAFQWSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001045663648 673838135 /nfs/dbraw/zinc/83/81/35/673838135.db2.gz AVGKWGVRESHBMV-VXGBXAGGSA-N 1 0 338.408 -1.262 20 0 EAADRO Cn1cnc(C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)n1 ZINC001045665766 673838292 /nfs/dbraw/zinc/83/82/92/673838292.db2.gz CMECINPSPDJEKN-LLVKDONJSA-N 1 0 336.396 -1.099 20 0 EAADRO Cn1cnc(C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)n1 ZINC001045665768 673838275 /nfs/dbraw/zinc/83/82/75/673838275.db2.gz CMECINPSPDJEKN-NSHDSACASA-N 1 0 336.396 -1.099 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)nn1 ZINC001045667606 673838464 /nfs/dbraw/zinc/83/84/64/673838464.db2.gz SQUOIFRHZXEVBX-LLVKDONJSA-N 1 0 336.396 -1.099 20 0 EAADRO Cn1cc(C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)nn1 ZINC001045667608 673838282 /nfs/dbraw/zinc/83/82/82/673838282.db2.gz SQUOIFRHZXEVBX-NSHDSACASA-N 1 0 336.396 -1.099 20 0 EAADRO Cn1nncc1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2 ZINC001045669170 673838495 /nfs/dbraw/zinc/83/84/95/673838495.db2.gz CDEHFJVSKBOHRP-LLVKDONJSA-N 1 0 336.396 -1.099 20 0 EAADRO Cn1nncc1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2 ZINC001045669171 673838426 /nfs/dbraw/zinc/83/84/26/673838426.db2.gz CDEHFJVSKBOHRP-NSHDSACASA-N 1 0 336.396 -1.099 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC001045670124 673838502 /nfs/dbraw/zinc/83/85/02/673838502.db2.gz OLXOIKPFUOYGLN-GHMZBOCLSA-N 1 0 340.380 -1.433 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC001045670125 673838327 /nfs/dbraw/zinc/83/83/27/673838327.db2.gz OLXOIKPFUOYGLN-MNOVXSKESA-N 1 0 340.380 -1.433 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC001045670126 673838269 /nfs/dbraw/zinc/83/82/69/673838269.db2.gz OLXOIKPFUOYGLN-QWRGUYRKSA-N 1 0 340.380 -1.433 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC001045670127 673838311 /nfs/dbraw/zinc/83/83/11/673838311.db2.gz OLXOIKPFUOYGLN-WDEREUQCSA-N 1 0 340.380 -1.433 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)NC1=O ZINC001045673995 673838380 /nfs/dbraw/zinc/83/83/80/673838380.db2.gz KAFWNIRJVAZBSS-CHWSQXEVSA-N 1 0 340.424 -1.010 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)NC1=O ZINC001045673996 673838370 /nfs/dbraw/zinc/83/83/70/673838370.db2.gz KAFWNIRJVAZBSS-OLZOCXBDSA-N 1 0 340.424 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ZINC001045676281 673838355 /nfs/dbraw/zinc/83/83/55/673838355.db2.gz DZFOUZBZVSAAST-VXGBXAGGSA-N 1 0 338.408 -1.405 20 0 EAADRO Cc1cnoc1C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045676339 673838512 /nfs/dbraw/zinc/83/85/12/673838512.db2.gz SMIWVHZZEDXPPO-UHFFFAOYSA-N 1 0 340.380 -1.136 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001045679282 673838615 /nfs/dbraw/zinc/83/86/15/673838615.db2.gz HXCQPMQEOXZJBD-TUAOUCFPSA-N 1 0 338.408 -1.420 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001045679284 673838809 /nfs/dbraw/zinc/83/88/09/673838809.db2.gz HXCQPMQEOXZJBD-UTUOFQBUSA-N 1 0 338.408 -1.420 20 0 EAADRO Cn1nnc(C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)n1 ZINC001045679363 673838864 /nfs/dbraw/zinc/83/88/64/673838864.db2.gz JVTQVXKWRVYXEV-JTQLQIEISA-N 1 0 337.384 -1.704 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)n1 ZINC001045679365 673838745 /nfs/dbraw/zinc/83/87/45/673838745.db2.gz 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337.424 -1.006 20 0 EAADRO COc1cc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)nn1C ZINC001045714018 673840055 /nfs/dbraw/zinc/84/00/55/673840055.db2.gz VSESYMMBHLXDAV-UHFFFAOYSA-N 1 0 339.396 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001045714033 673840151 /nfs/dbraw/zinc/84/01/51/673840151.db2.gz WRLSODPQTKJIMN-UHFFFAOYSA-N 1 0 340.380 -2.320 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2cc3ncccn3n2)C1 ZINC001045714044 673840105 /nfs/dbraw/zinc/84/01/05/673840105.db2.gz XDQSBBIYKSZKQL-UHFFFAOYSA-N 1 0 346.391 -1.016 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)ccc1=O ZINC001045714078 673840065 /nfs/dbraw/zinc/84/00/65/673840065.db2.gz XWEJDZYLRMDIRJ-UHFFFAOYSA-N 1 0 336.392 -1.360 20 0 EAADRO CCNC(=O)CCCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045714080 673840025 /nfs/dbraw/zinc/84/00/25/673840025.db2.gz XXJUMYLAEYBLIK-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045714082 673840098 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ZINC001045716331 669473609 /nfs/dbraw/zinc/47/36/09/669473609.db2.gz FLDMOOJSYPNYDJ-UHFFFAOYSA-N 1 0 337.380 -1.260 20 0 EAADRO CCCn1cc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001045716351 669473632 /nfs/dbraw/zinc/47/36/32/669473632.db2.gz FLMFYAMXCOETBX-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO Cn1cc(OCC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001045716387 673840156 /nfs/dbraw/zinc/84/01/56/673840156.db2.gz GIEVUUNIWJJTGL-UHFFFAOYSA-N 1 0 339.396 -1.560 20 0 EAADRO Cc1c(CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)cnn1C ZINC001045716396 673840043 /nfs/dbraw/zinc/84/00/43/673840043.db2.gz GUTVOOCVUNSTOZ-UHFFFAOYSA-N 1 0 337.424 -1.088 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001045716398 673840357 /nfs/dbraw/zinc/84/03/57/673840357.db2.gz GWISQAUAXUTBIQ-AWEZNQCLSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001045716400 673840379 /nfs/dbraw/zinc/84/03/79/673840379.db2.gz GWISQAUAXUTBIQ-CQSZACIVSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2cnc3nccn3c2)C1 ZINC001045716413 673840347 /nfs/dbraw/zinc/84/03/47/673840347.db2.gz HHKYLHIGMJMNSU-UHFFFAOYSA-N 1 0 346.391 -1.016 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001045716426 673840440 /nfs/dbraw/zinc/84/04/40/673840440.db2.gz HPTFQBWHPRMHDB-JTQLQIEISA-N 1 0 348.425 -2.681 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001045716431 673840399 /nfs/dbraw/zinc/84/03/99/673840399.db2.gz HPTFQBWHPRMHDB-SNVBAGLBSA-N 1 0 348.425 -2.681 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001045716453 673840428 /nfs/dbraw/zinc/84/04/28/673840428.db2.gz IDAOGQGZGFWYHF-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001045716454 673840479 /nfs/dbraw/zinc/84/04/79/673840479.db2.gz IDAOGQGZGFWYHF-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO Cn1cc(CCC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001045716456 673840465 /nfs/dbraw/zinc/84/04/65/673840465.db2.gz IECPNAJIYXRXRN-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716464 673840287 /nfs/dbraw/zinc/84/02/87/673840287.db2.gz IKUDCYDNEZOVDI-UHFFFAOYSA-N 1 0 335.426 -1.938 20 0 EAADRO Cc1cc(=O)c(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)c[nH]1 ZINC001045716473 673840453 /nfs/dbraw/zinc/84/04/53/673840453.db2.gz IUIBHTOAUBTYFO-UHFFFAOYSA-N 1 0 336.392 -1.062 20 0 EAADRO COc1cc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)ncn1 ZINC001045716536 673840435 /nfs/dbraw/zinc/84/04/35/673840435.db2.gz JOQGEGNTFSVDAE-UHFFFAOYSA-N 1 0 337.380 -1.260 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045716540 673840459 /nfs/dbraw/zinc/84/04/59/673840459.db2.gz JTBZJFKXDFUUCR-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045716541 673840371 /nfs/dbraw/zinc/84/03/71/673840371.db2.gz JTBZJFKXDFUUCR-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)C(=O)C1CC1 ZINC001045716543 673840396 /nfs/dbraw/zinc/84/03/96/673840396.db2.gz JTQRVVBENOWRQN-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC(=O)N1 ZINC001045716554 673840315 /nfs/dbraw/zinc/84/03/15/673840315.db2.gz JZZBYYHRWOCGBB-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC(=O)N1 ZINC001045716555 673840306 /nfs/dbraw/zinc/84/03/06/673840306.db2.gz JZZBYYHRWOCGBB-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC(=O)N1 ZINC001045716556 673840311 /nfs/dbraw/zinc/84/03/11/673840311.db2.gz JZZBYYHRWOCGBB-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC(=O)N1 ZINC001045716557 673840413 /nfs/dbraw/zinc/84/04/13/673840413.db2.gz JZZBYYHRWOCGBB-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716577 673840360 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C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001045716734 673840395 /nfs/dbraw/zinc/84/03/95/673840395.db2.gz MPYGFRZVWFPUPJ-LLVKDONJSA-N 1 0 347.437 -1.795 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001045716735 673840320 /nfs/dbraw/zinc/84/03/20/673840320.db2.gz MPYGFRZVWFPUPJ-NSHDSACASA-N 1 0 347.437 -1.795 20 0 EAADRO Cn1cc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001045716740 673840298 /nfs/dbraw/zinc/84/02/98/673840298.db2.gz NDVYOEALGDYDQI-UHFFFAOYSA-N 1 0 325.369 -1.620 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC001045716741 673840350 /nfs/dbraw/zinc/84/03/50/673840350.db2.gz NDXJWNNVPKVGIY-UHFFFAOYSA-N 1 0 349.391 -1.565 20 0 EAADRO Cn1nccc1CCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716743 673840375 /nfs/dbraw/zinc/84/03/75/673840375.db2.gz NJYPVAMLZLBHLA-UHFFFAOYSA-N 1 0 337.424 -1.006 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCCCC(N)=O)C1 ZINC001045716769 673840335 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COc1ncc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001045716850 673840318 /nfs/dbraw/zinc/84/03/18/673840318.db2.gz PNYIAAXKZMMVBB-UHFFFAOYSA-N 1 0 337.380 -1.260 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCN2CCCC2=O)C1 ZINC001045716851 673840403 /nfs/dbraw/zinc/84/04/03/673840403.db2.gz PNZUJPZTYCUTKR-UHFFFAOYSA-N 1 0 340.424 -1.360 20 0 EAADRO C[C@@H](CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)NC(N)=O ZINC001045716853 673840477 /nfs/dbraw/zinc/84/04/77/673840477.db2.gz PPLQHMUMXKFCCZ-JTQLQIEISA-N 1 0 329.401 -1.926 20 0 EAADRO C[C@H](CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)NC(N)=O ZINC001045716854 673840332 /nfs/dbraw/zinc/84/03/32/673840332.db2.gz PPLQHMUMXKFCCZ-SNVBAGLBSA-N 1 0 329.401 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2cc(C(N)=O)co2)C1 ZINC001045716899 673840367 /nfs/dbraw/zinc/84/03/67/673840367.db2.gz QDUPHTLSUVOGIR-UHFFFAOYSA-N 1 0 338.364 -1.367 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001045716902 673840304 /nfs/dbraw/zinc/84/03/04/673840304.db2.gz QEJGTOPFVPAGEU-UHFFFAOYSA-N 1 0 337.380 -1.632 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2ccc3nnnn3c2)C1 ZINC001045716905 673840407 /nfs/dbraw/zinc/84/04/07/673840407.db2.gz QFZVDGTZFIWRJY-UHFFFAOYSA-N 1 0 347.379 -1.621 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001045716914 669473695 /nfs/dbraw/zinc/47/36/95/669473695.db2.gz QJCDRKXAWFUART-UHFFFAOYSA-N 1 0 338.364 -1.367 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C(=O)NCC(F)F)C1 ZINC001045716925 673840467 /nfs/dbraw/zinc/84/04/67/673840467.db2.gz RBFXTEVMRVBCDY-UHFFFAOYSA-N 1 0 336.339 -1.991 20 0 EAADRO Cn1nc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)ccc1=O ZINC001045716937 673840309 /nfs/dbraw/zinc/84/03/09/673840309.db2.gz RGOXJXYPXSQODQ-UHFFFAOYSA-N 1 0 337.380 -1.965 20 0 EAADRO CCN1C[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC1=O ZINC001045716971 673840326 /nfs/dbraw/zinc/84/03/26/673840326.db2.gz RXRXTOZZRPOAOZ-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CCN1C[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC1=O ZINC001045716973 673840384 /nfs/dbraw/zinc/84/03/84/673840384.db2.gz RXRXTOZZRPOAOZ-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCn2cnnn2)C1 ZINC001045717025 673840363 /nfs/dbraw/zinc/84/03/63/673840363.db2.gz TZEGMKLLVUSWBT-UHFFFAOYSA-N 1 0 325.373 -2.296 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717110 673840329 /nfs/dbraw/zinc/84/03/29/673840329.db2.gz UQKSGRVHDAEOGP-UHFFFAOYSA-N 1 0 343.428 -1.665 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717116 673840353 /nfs/dbraw/zinc/84/03/53/673840353.db2.gz UTSPHTVUMCIBMZ-UHFFFAOYSA-N 1 0 338.412 -1.139 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCCCNC(N)=O)C1 ZINC001045717118 673840425 /nfs/dbraw/zinc/84/04/25/673840425.db2.gz UXUPBQZHPLTHCZ-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717123 673840324 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C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001045717250 673840738 /nfs/dbraw/zinc/84/07/38/673840738.db2.gz XVJIOJJRTXMSIP-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CCCS(=O)(=O)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717251 673840780 /nfs/dbraw/zinc/84/07/80/673840780.db2.gz XWVKMMRQOURGNM-UHFFFAOYSA-N 1 0 349.453 -1.548 20 0 EAADRO Cc1cc(CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)n(C)n1 ZINC001045717261 673840706 /nfs/dbraw/zinc/84/07/06/673840706.db2.gz YCMLYZYSOILBSY-UHFFFAOYSA-N 1 0 337.424 -1.088 20 0 EAADRO CN(C)C(=O)C1(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001045717265 673840759 /nfs/dbraw/zinc/84/07/59/673840759.db2.gz YFQCIIJJHGPIDQ-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001045717267 673840756 /nfs/dbraw/zinc/84/07/56/673840756.db2.gz YGKZPHLXHMRYEY-AWEZNQCLSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001045717268 673840779 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C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001045717390 673840670 /nfs/dbraw/zinc/84/06/70/673840670.db2.gz ZHZFRGMCFSOBHH-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001045717391 673840763 /nfs/dbraw/zinc/84/07/63/673840763.db2.gz ZHZFRGMCFSOBHH-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2cccn3nnnc23)C1 ZINC001045717404 673840709 /nfs/dbraw/zinc/84/07/09/673840709.db2.gz ZXBAJVNEPZYXPB-UHFFFAOYSA-N 1 0 347.379 -1.621 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001045719685 673840752 /nfs/dbraw/zinc/84/07/52/673840752.db2.gz APLOLUWYMSZUQQ-UHFFFAOYSA-N 1 0 349.391 -1.565 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2ccn3nnnc3c2)C1 ZINC001045719692 673840647 /nfs/dbraw/zinc/84/06/47/673840647.db2.gz ASLSGHFOBWGVIF-UHFFFAOYSA-N 1 0 347.379 -1.621 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719696 673840667 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C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001045720036 673840590 /nfs/dbraw/zinc/84/05/90/673840590.db2.gz JQQRAMCZKDGWGK-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001045720037 673840722 /nfs/dbraw/zinc/84/07/22/673840722.db2.gz JQQRAMCZKDGWGK-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO Cn1c(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)c[nH]c1=O ZINC001045720043 669476273 /nfs/dbraw/zinc/47/62/73/669476273.db2.gz KAUVTKYHILBSDM-UHFFFAOYSA-N 1 0 325.369 -1.620 20 0 EAADRO CN1C[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CCC1=O ZINC001045720051 669476256 /nfs/dbraw/zinc/47/62/56/669476256.db2.gz KRPFEUJFKXFWHU-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CCC1=O ZINC001045720052 673840585 /nfs/dbraw/zinc/84/05/85/673840585.db2.gz KRPFEUJFKXFWHU-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001045720061 673840682 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CC(=O)NCC(C)(C)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720080 673840597 /nfs/dbraw/zinc/84/05/97/673840597.db2.gz LQIOJYQTCQYUDV-UHFFFAOYSA-N 1 0 342.440 -1.210 20 0 EAADRO Cn1cnc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001045720081 673840694 /nfs/dbraw/zinc/84/06/94/673840694.db2.gz LQJASDVCFRYQHY-UHFFFAOYSA-N 1 0 337.380 -1.965 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCS(C)(=O)=O)C1 ZINC001045720099 673840775 /nfs/dbraw/zinc/84/07/75/673840775.db2.gz MGBXSESJFXEMCZ-UHFFFAOYSA-N 1 0 335.426 -1.938 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720120 673841019 /nfs/dbraw/zinc/84/10/19/673841019.db2.gz MVGYRCFUPLHNNW-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720122 673841055 /nfs/dbraw/zinc/84/10/55/673841055.db2.gz MVGYRCFUPLHNNW-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001045720194 673841088 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AFIRCLDRSLFVHY-OLZOCXBDSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046024969 673849788 /nfs/dbraw/zinc/84/97/88/673849788.db2.gz AFIRCLDRSLFVHY-QWHCGFSZSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046024970 673849613 /nfs/dbraw/zinc/84/96/13/673849613.db2.gz AFIRCLDRSLFVHY-STQMWFEESA-N 1 0 349.439 -1.089 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025014 673849873 /nfs/dbraw/zinc/84/98/73/673849873.db2.gz BGGSCWOAGMRMMQ-GFCCVEGCSA-N 1 0 335.412 -1.607 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025015 673849864 /nfs/dbraw/zinc/84/98/64/673849864.db2.gz BGGSCWOAGMRMMQ-LBPRGKRZSA-N 1 0 335.412 -1.607 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025053 673849558 /nfs/dbraw/zinc/84/95/58/673849558.db2.gz BUZRUTJBQPTUQV-CYBMUJFWSA-N 1 0 349.439 -1.265 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025055 673849699 /nfs/dbraw/zinc/84/96/99/673849699.db2.gz BUZRUTJBQPTUQV-ZDUSSCGKSA-N 1 0 349.439 -1.265 20 0 EAADRO Cn1cnc(C(=O)N2CCN([C@@H]3CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)n1 ZINC001046025488 673849607 /nfs/dbraw/zinc/84/96/07/673849607.db2.gz GUPIIPGXJSFTBF-CHWSQXEVSA-N 1 0 347.423 -1.464 20 0 EAADRO Cn1cnc(C(=O)N2CCN([C@@H]3CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)n1 ZINC001046025490 673849583 /nfs/dbraw/zinc/84/95/83/673849583.db2.gz GUPIIPGXJSFTBF-OLZOCXBDSA-N 1 0 347.423 -1.464 20 0 EAADRO Cn1cnc(C(=O)N2CCN([C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)n1 ZINC001046025491 673849626 /nfs/dbraw/zinc/84/96/26/673849626.db2.gz GUPIIPGXJSFTBF-QWHCGFSZSA-N 1 0 347.423 -1.464 20 0 EAADRO Cn1cnc(C(=O)N2CCN([C@H]3CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)n1 ZINC001046025493 673849769 /nfs/dbraw/zinc/84/97/69/673849769.db2.gz GUPIIPGXJSFTBF-STQMWFEESA-N 1 0 347.423 -1.464 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025732 673849898 /nfs/dbraw/zinc/84/98/98/673849898.db2.gz KLKYADYYWXIVDM-NEPJUHHUSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025733 673849523 /nfs/dbraw/zinc/84/95/23/673849523.db2.gz KLKYADYYWXIVDM-NWDGAFQWSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025734 673849714 /nfs/dbraw/zinc/84/97/14/673849714.db2.gz KLKYADYYWXIVDM-RYUDHWBXSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025735 673849706 /nfs/dbraw/zinc/84/97/06/673849706.db2.gz KLKYADYYWXIVDM-VXGBXAGGSA-N 1 0 335.412 -1.479 20 0 EAADRO CCn1ncc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(=O)NC)C3)CC2)n1 ZINC001046025808 673849685 /nfs/dbraw/zinc/84/96/85/673849685.db2.gz KXULDKDYHZQPAM-CYBMUJFWSA-N 1 0 349.439 -1.124 20 0 EAADRO CCn1ncc(C(=O)N2CCN([C@H]3CC[N@H+](CC(=O)NC)C3)CC2)n1 ZINC001046025809 673849760 /nfs/dbraw/zinc/84/97/60/673849760.db2.gz KXULDKDYHZQPAM-ZDUSSCGKSA-N 1 0 349.439 -1.124 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026239 673850345 /nfs/dbraw/zinc/85/03/45/673850345.db2.gz QWDDUCZFHQUZQS-NEPJUHHUSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026240 673850384 /nfs/dbraw/zinc/85/03/84/673850384.db2.gz QWDDUCZFHQUZQS-NWDGAFQWSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026241 673850284 /nfs/dbraw/zinc/85/02/84/673850284.db2.gz QWDDUCZFHQUZQS-RYUDHWBXSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026242 673850034 /nfs/dbraw/zinc/85/00/34/673850034.db2.gz QWDDUCZFHQUZQS-VXGBXAGGSA-N 1 0 335.412 -1.479 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026448 673850106 /nfs/dbraw/zinc/85/01/06/673850106.db2.gz WXLUBAKFXIQNFD-GXTWGEPZSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026449 673850071 /nfs/dbraw/zinc/85/00/71/673850071.db2.gz WXLUBAKFXIQNFD-JSGCOSHPSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026450 673850429 /nfs/dbraw/zinc/85/04/29/673850429.db2.gz WXLUBAKFXIQNFD-OCCSQVGLSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046026451 673850292 /nfs/dbraw/zinc/85/02/92/673850292.db2.gz WXLUBAKFXIQNFD-TZMCWYRMSA-N 1 0 349.439 -1.089 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026546 673850453 /nfs/dbraw/zinc/85/04/53/673850453.db2.gz ZJYQGCNAHSZMSH-CHWSQXEVSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026547 673850357 /nfs/dbraw/zinc/85/03/57/673850357.db2.gz ZJYQGCNAHSZMSH-OLZOCXBDSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026548 673850078 /nfs/dbraw/zinc/85/00/78/673850078.db2.gz ZJYQGCNAHSZMSH-QWHCGFSZSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026549 673850052 /nfs/dbraw/zinc/85/00/52/673850052.db2.gz ZJYQGCNAHSZMSH-STQMWFEESA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027158 673850333 /nfs/dbraw/zinc/85/03/33/673850333.db2.gz KMCHTMDZVZBGMV-HNNXBMFYSA-N 1 0 346.435 -1.016 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027161 673850324 /nfs/dbraw/zinc/85/03/24/673850324.db2.gz KMCHTMDZVZBGMV-OAHLLOKOSA-N 1 0 346.435 -1.016 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027208 673850457 /nfs/dbraw/zinc/85/04/57/673850457.db2.gz KCORWPBIQTXONW-HNNXBMFYSA-N 1 0 348.451 -1.073 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027209 673850257 /nfs/dbraw/zinc/85/02/57/673850257.db2.gz KCORWPBIQTXONW-OAHLLOKOSA-N 1 0 348.451 -1.073 20 0 EAADRO Cc1nnc(CC(=O)N2CCN([C@H]3CC[N@@H+]([C@@H](C)C(N)=O)C3)CC2)[nH]1 ZINC001046027933 673850341 /nfs/dbraw/zinc/85/03/41/673850341.db2.gz TZFHVXLLHPPPTO-AAEUAGOBSA-N 1 0 349.439 -1.252 20 0 EAADRO Cc1nnc(CC(=O)N2CCN([C@@H]3CC[N@@H+]([C@H](C)C(N)=O)C3)CC2)[nH]1 ZINC001046027934 673850237 /nfs/dbraw/zinc/85/02/37/673850237.db2.gz TZFHVXLLHPPPTO-DGCLKSJQSA-N 1 0 349.439 -1.252 20 0 EAADRO Cc1nnc(CC(=O)N2CCN([C@@H]3CC[N@@H+]([C@@H](C)C(N)=O)C3)CC2)[nH]1 ZINC001046027935 673850086 /nfs/dbraw/zinc/85/00/86/673850086.db2.gz TZFHVXLLHPPPTO-WCQYABFASA-N 1 0 349.439 -1.252 20 0 EAADRO Cc1nnc(CC(=O)N2CCN([C@H]3CC[N@@H+]([C@H](C)C(N)=O)C3)CC2)[nH]1 ZINC001046027936 673850208 /nfs/dbraw/zinc/85/02/08/673850208.db2.gz TZFHVXLLHPPPTO-YPMHNXCESA-N 1 0 349.439 -1.252 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028148 673850201 /nfs/dbraw/zinc/85/02/01/673850201.db2.gz RLQCXLJPVFVYPX-NEPJUHHUSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028149 673850367 /nfs/dbraw/zinc/85/03/67/673850367.db2.gz RLQCXLJPVFVYPX-NWDGAFQWSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028150 673850140 /nfs/dbraw/zinc/85/01/40/673850140.db2.gz RLQCXLJPVFVYPX-RYUDHWBXSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028151 673850305 /nfs/dbraw/zinc/85/03/05/673850305.db2.gz RLQCXLJPVFVYPX-VXGBXAGGSA-N 1 0 335.412 -1.479 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028186 673850169 /nfs/dbraw/zinc/85/01/69/673850169.db2.gz SCXKSDWROXFDCZ-CHWSQXEVSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028187 673850463 /nfs/dbraw/zinc/85/04/63/673850463.db2.gz SCXKSDWROXFDCZ-OLZOCXBDSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028188 673850227 /nfs/dbraw/zinc/85/02/27/673850227.db2.gz SCXKSDWROXFDCZ-QWHCGFSZSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028189 673850372 /nfs/dbraw/zinc/85/03/72/673850372.db2.gz SCXKSDWROXFDCZ-STQMWFEESA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046028369 673850041 /nfs/dbraw/zinc/85/00/41/673850041.db2.gz AJMRDTGOUJOAGH-GFCCVEGCSA-N 1 0 335.412 -1.607 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046028370 673850176 /nfs/dbraw/zinc/85/01/76/673850176.db2.gz AJMRDTGOUJOAGH-LBPRGKRZSA-N 1 0 335.412 -1.607 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028508 673850390 /nfs/dbraw/zinc/85/03/90/673850390.db2.gz SNJOCAJWEAWFLJ-CYBMUJFWSA-N 1 0 349.439 -1.265 20 0 EAADRO 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ZINC001046028892 673850423 /nfs/dbraw/zinc/85/04/23/673850423.db2.gz XIIQFLOVNSPNMJ-CHWSQXEVSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028894 673850063 /nfs/dbraw/zinc/85/00/63/673850063.db2.gz XIIQFLOVNSPNMJ-OLZOCXBDSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028896 673850362 /nfs/dbraw/zinc/85/03/62/673850362.db2.gz XIIQFLOVNSPNMJ-QWHCGFSZSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028898 673850438 /nfs/dbraw/zinc/85/04/38/673850438.db2.gz XIIQFLOVNSPNMJ-STQMWFEESA-N 1 0 349.439 -1.089 20 0 EAADRO Cn1cc(C(=O)N2CCN([C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)nn1 ZINC001046029208 673850377 /nfs/dbraw/zinc/85/03/77/673850377.db2.gz LXKSERAIPGAOPY-GXTWGEPZSA-N 1 0 347.423 -1.464 20 0 EAADRO Cn1cc(C(=O)N2CCN([C@H]3CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)nn1 ZINC001046029209 673850417 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673854626 /nfs/dbraw/zinc/85/46/26/673854626.db2.gz FNAWGTYSXIXXNS-ZDUSSCGKSA-N 1 0 337.424 -1.689 20 0 EAADRO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001046056641 673854512 /nfs/dbraw/zinc/85/45/12/673854512.db2.gz HCMWIABCBQHZDQ-GHMZBOCLSA-N 1 0 337.380 -2.505 20 0 EAADRO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001046056642 673854553 /nfs/dbraw/zinc/85/45/53/673854553.db2.gz HCMWIABCBQHZDQ-MNOVXSKESA-N 1 0 337.380 -2.505 20 0 EAADRO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001046056643 673854654 /nfs/dbraw/zinc/85/46/54/673854654.db2.gz HCMWIABCBQHZDQ-QWRGUYRKSA-N 1 0 337.380 -2.505 20 0 EAADRO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001046056644 673854751 /nfs/dbraw/zinc/85/47/51/673854751.db2.gz HCMWIABCBQHZDQ-WDEREUQCSA-N 1 0 337.380 -2.505 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001046056671 673854838 /nfs/dbraw/zinc/85/48/38/673854838.db2.gz HJSWILIFCYWARO-AWEZNQCLSA-N 1 0 349.439 -1.401 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001046056674 673854800 /nfs/dbraw/zinc/85/48/00/673854800.db2.gz HJSWILIFCYWARO-CQSZACIVSA-N 1 0 349.439 -1.401 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046056796 673854686 /nfs/dbraw/zinc/85/46/86/673854686.db2.gz XRCRHQMWACBMSB-LLVKDONJSA-N 1 0 336.400 -2.212 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046056797 673854716 /nfs/dbraw/zinc/85/47/16/673854716.db2.gz XRCRHQMWACBMSB-NSHDSACASA-N 1 0 336.400 -2.212 20 0 EAADRO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)ncn1 ZINC001046056962 673854759 /nfs/dbraw/zinc/85/47/59/673854759.db2.gz IYARVSARLQNTCV-AWEZNQCLSA-N 1 0 332.408 -1.011 20 0 EAADRO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)ncn1 ZINC001046056963 673854911 /nfs/dbraw/zinc/85/49/11/673854911.db2.gz IYARVSARLQNTCV-CQSZACIVSA-N 1 0 332.408 -1.011 20 0 EAADRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056980 673854676 /nfs/dbraw/zinc/85/46/76/673854676.db2.gz JOXRCEAPYWPNGD-AWEZNQCLSA-N 1 0 334.424 -1.068 20 0 EAADRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056981 673854598 /nfs/dbraw/zinc/85/45/98/673854598.db2.gz JOXRCEAPYWPNGD-CQSZACIVSA-N 1 0 334.424 -1.068 20 0 EAADRO CCN1CC[C@@H]([N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057020 673854789 /nfs/dbraw/zinc/85/47/89/673854789.db2.gz KLJFPHULWOWLCY-CHWSQXEVSA-N 1 0 337.424 -1.689 20 0 EAADRO CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057021 673854713 /nfs/dbraw/zinc/85/47/13/673854713.db2.gz KLJFPHULWOWLCY-OLZOCXBDSA-N 1 0 337.424 -1.689 20 0 EAADRO CCN1CC[C@@H]([N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057022 673854784 /nfs/dbraw/zinc/85/47/84/673854784.db2.gz KLJFPHULWOWLCY-QWHCGFSZSA-N 1 0 337.424 -1.689 20 0 EAADRO CCN1CC[C@H]([N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057023 673854934 /nfs/dbraw/zinc/85/49/34/673854934.db2.gz KLJFPHULWOWLCY-STQMWFEESA-N 1 0 337.424 -1.689 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)cn1 ZINC001046057498 673855271 /nfs/dbraw/zinc/85/52/71/673855271.db2.gz OWYABPLMAGUVBJ-AWEZNQCLSA-N 1 0 334.424 -1.334 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)cn1 ZINC001046057499 673855452 /nfs/dbraw/zinc/85/54/52/673855452.db2.gz OWYABPLMAGUVBJ-CQSZACIVSA-N 1 0 334.424 -1.334 20 0 EAADRO Cc1ncc(C[N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)cn1 ZINC001046057730 673855332 /nfs/dbraw/zinc/85/53/32/673855332.db2.gz VQZQJLQTKKOPGY-AWEZNQCLSA-N 1 0 332.408 -1.011 20 0 EAADRO Cc1ncc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)cn1 ZINC001046057731 673855257 /nfs/dbraw/zinc/85/52/57/673855257.db2.gz VQZQJLQTKKOPGY-CQSZACIVSA-N 1 0 332.408 -1.011 20 0 EAADRO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001046057750 673855159 /nfs/dbraw/zinc/85/51/59/673855159.db2.gz WAEDPCQIRGBTDA-GFCCVEGCSA-N 1 0 338.412 -2.285 20 0 EAADRO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001046057751 673855385 /nfs/dbraw/zinc/85/53/85/673855385.db2.gz WAEDPCQIRGBTDA-LBPRGKRZSA-N 1 0 338.412 -2.285 20 0 EAADRO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC001046057758 673855080 /nfs/dbraw/zinc/85/50/80/673855080.db2.gz WFPZFJHOMKDOEJ-CYBMUJFWSA-N 1 0 337.424 -1.687 20 0 EAADRO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC001046057759 673855232 /nfs/dbraw/zinc/85/52/32/673855232.db2.gz WFPZFJHOMKDOEJ-ZDUSSCGKSA-N 1 0 337.424 -1.687 20 0 EAADRO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C2)CC1 ZINC001046057904 673855069 /nfs/dbraw/zinc/85/50/69/673855069.db2.gz ZXWLAEKQQXJJDK-CHWSQXEVSA-N 1 0 347.423 -1.531 20 0 EAADRO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001046057905 673855397 /nfs/dbraw/zinc/85/53/97/673855397.db2.gz ZXWLAEKQQXJJDK-OLZOCXBDSA-N 1 0 347.423 -1.531 20 0 EAADRO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C2)CC1 ZINC001046057906 673855443 /nfs/dbraw/zinc/85/54/43/673855443.db2.gz ZXWLAEKQQXJJDK-QWHCGFSZSA-N 1 0 347.423 -1.531 20 0 EAADRO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001046057907 673855392 /nfs/dbraw/zinc/85/53/92/673855392.db2.gz ZXWLAEKQQXJJDK-STQMWFEESA-N 1 0 347.423 -1.531 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057910 673855191 /nfs/dbraw/zinc/85/51/91/673855191.db2.gz ZZXMCRVQJRTCOS-NEPJUHHUSA-N 1 0 325.413 -1.833 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057911 673855413 /nfs/dbraw/zinc/85/54/13/673855413.db2.gz ZZXMCRVQJRTCOS-NWDGAFQWSA-N 1 0 325.413 -1.833 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057912 673855149 /nfs/dbraw/zinc/85/51/49/673855149.db2.gz ZZXMCRVQJRTCOS-RYUDHWBXSA-N 1 0 325.413 -1.833 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057913 673855090 /nfs/dbraw/zinc/85/50/90/673855090.db2.gz ZZXMCRVQJRTCOS-VXGBXAGGSA-N 1 0 325.413 -1.833 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046058174 673855376 /nfs/dbraw/zinc/85/53/76/673855376.db2.gz DJQLOQKGUAYFKJ-NEPJUHHUSA-N 1 0 338.412 -2.368 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046058175 673855403 /nfs/dbraw/zinc/85/54/03/673855403.db2.gz DJQLOQKGUAYFKJ-NWDGAFQWSA-N 1 0 338.412 -2.368 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046058176 673855448 /nfs/dbraw/zinc/85/54/48/673855448.db2.gz DJQLOQKGUAYFKJ-RYUDHWBXSA-N 1 0 338.412 -2.368 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046058177 673855297 /nfs/dbraw/zinc/85/52/97/673855297.db2.gz DJQLOQKGUAYFKJ-VXGBXAGGSA-N 1 0 338.412 -2.368 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058229 673855280 /nfs/dbraw/zinc/85/52/80/673855280.db2.gz FDNIIEJXKBMXEE-NEPJUHHUSA-N 1 0 337.424 -1.656 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058230 673855345 /nfs/dbraw/zinc/85/53/45/673855345.db2.gz FDNIIEJXKBMXEE-NWDGAFQWSA-N 1 0 337.424 -1.656 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058231 673855140 /nfs/dbraw/zinc/85/51/40/673855140.db2.gz FDNIIEJXKBMXEE-RYUDHWBXSA-N 1 0 337.424 -1.656 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058232 673855071 /nfs/dbraw/zinc/85/50/71/673855071.db2.gz FDNIIEJXKBMXEE-VXGBXAGGSA-N 1 0 337.424 -1.656 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058360 673855426 /nfs/dbraw/zinc/85/54/26/673855426.db2.gz IQUMPVIUPJIGGH-GFCCVEGCSA-N 1 0 337.424 -1.784 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058361 673855468 /nfs/dbraw/zinc/85/54/68/673855468.db2.gz IQUMPVIUPJIGGH-LBPRGKRZSA-N 1 0 337.424 -1.784 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046058366 673855097 /nfs/dbraw/zinc/85/50/97/673855097.db2.gz IVSKMLNGMSLWHB-CHWSQXEVSA-N 1 0 325.413 -1.731 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046058367 673855167 /nfs/dbraw/zinc/85/51/67/673855167.db2.gz IVSKMLNGMSLWHB-OLZOCXBDSA-N 1 0 325.413 -1.731 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046058368 673856004 /nfs/dbraw/zinc/85/60/04/673856004.db2.gz IVSKMLNGMSLWHB-QWHCGFSZSA-N 1 0 325.413 -1.731 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046058369 673855924 /nfs/dbraw/zinc/85/59/24/673855924.db2.gz IVSKMLNGMSLWHB-STQMWFEESA-N 1 0 325.413 -1.731 20 0 EAADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058501 673856039 /nfs/dbraw/zinc/85/60/39/673856039.db2.gz LRQVPZCLKMTFJZ-AAEUAGOBSA-N 1 0 337.424 -1.643 20 0 EAADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058502 673856007 /nfs/dbraw/zinc/85/60/07/673856007.db2.gz LRQVPZCLKMTFJZ-DGCLKSJQSA-N 1 0 337.424 -1.643 20 0 EAADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058503 673855718 /nfs/dbraw/zinc/85/57/18/673855718.db2.gz LRQVPZCLKMTFJZ-WCQYABFASA-N 1 0 337.424 -1.643 20 0 EAADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058504 673855728 /nfs/dbraw/zinc/85/57/28/673855728.db2.gz LRQVPZCLKMTFJZ-YPMHNXCESA-N 1 0 337.424 -1.643 20 0 EAADRO NC(=O)C1(C(=O)N2CCN([C@@H]3CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)CC1 ZINC001046058648 673856085 /nfs/dbraw/zinc/85/60/85/673856085.db2.gz PWMAXKCRMAMALS-CHWSQXEVSA-N 1 0 349.435 -1.641 20 0 EAADRO NC(=O)C1(C(=O)N2CCN([C@@H]3CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)CC1 ZINC001046058649 673855669 /nfs/dbraw/zinc/85/56/69/673855669.db2.gz PWMAXKCRMAMALS-OLZOCXBDSA-N 1 0 349.435 -1.641 20 0 EAADRO NC(=O)C1(C(=O)N2CCN([C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)CC1 ZINC001046058650 673855869 /nfs/dbraw/zinc/85/58/69/673855869.db2.gz PWMAXKCRMAMALS-QWHCGFSZSA-N 1 0 349.435 -1.641 20 0 EAADRO NC(=O)C1(C(=O)N2CCN([C@H]3CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)CC1 ZINC001046058651 673855756 /nfs/dbraw/zinc/85/57/56/673855756.db2.gz PWMAXKCRMAMALS-STQMWFEESA-N 1 0 349.435 -1.641 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)cc1=O ZINC001046059076 673855960 /nfs/dbraw/zinc/85/59/60/673855960.db2.gz YIPMRJMSKWUSKK-AWEZNQCLSA-N 1 0 347.419 -1.411 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)cc1=O ZINC001046059077 673855930 /nfs/dbraw/zinc/85/59/30/673855930.db2.gz YIPMRJMSKWUSKK-CQSZACIVSA-N 1 0 347.419 -1.411 20 0 EAADRO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046059092 673855863 /nfs/dbraw/zinc/85/58/63/673855863.db2.gz YUKKWHXGPSCFON-CHWSQXEVSA-N 1 0 325.413 -1.467 20 0 EAADRO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046059093 673855797 /nfs/dbraw/zinc/85/57/97/673855797.db2.gz YUKKWHXGPSCFON-OLZOCXBDSA-N 1 0 325.413 -1.467 20 0 EAADRO COCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046059094 673855980 /nfs/dbraw/zinc/85/59/80/673855980.db2.gz YUKKWHXGPSCFON-QWHCGFSZSA-N 1 0 325.413 -1.467 20 0 EAADRO COCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046059095 673855927 /nfs/dbraw/zinc/85/59/27/673855927.db2.gz YUKKWHXGPSCFON-STQMWFEESA-N 1 0 325.413 -1.467 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046063074 673855819 /nfs/dbraw/zinc/85/58/19/673855819.db2.gz LKMIDQDKDYCYSG-GXTWGEPZSA-N 1 0 349.439 -1.170 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046063075 673855895 /nfs/dbraw/zinc/85/58/95/673855895.db2.gz LKMIDQDKDYCYSG-JSGCOSHPSA-N 1 0 349.439 -1.170 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046063076 673856092 /nfs/dbraw/zinc/85/60/92/673856092.db2.gz LKMIDQDKDYCYSG-OCCSQVGLSA-N 1 0 349.439 -1.170 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046063077 673856053 /nfs/dbraw/zinc/85/60/53/673856053.db2.gz LKMIDQDKDYCYSG-TZMCWYRMSA-N 1 0 349.439 -1.170 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063619 673855837 /nfs/dbraw/zinc/85/58/37/673855837.db2.gz SLPPPSDBONWTCG-UPJWGTAASA-N 1 0 337.424 -1.928 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063620 673855734 /nfs/dbraw/zinc/85/57/34/673855734.db2.gz SLPPPSDBONWTCG-XQQFMLRXSA-N 1 0 337.424 -1.928 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063817 673855763 /nfs/dbraw/zinc/85/57/63/673855763.db2.gz YJAWXWUWOPAKHF-KFWWJZLASA-N 1 0 338.452 -1.079 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063818 673855744 /nfs/dbraw/zinc/85/57/44/673855744.db2.gz YJAWXWUWOPAKHF-ZNMIVQPWSA-N 1 0 338.452 -1.079 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)O1 ZINC001046064258 673855660 /nfs/dbraw/zinc/85/56/60/673855660.db2.gz IWFGPOGHWYHBFZ-HZSPNIEDSA-N 1 0 340.424 -1.770 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)O1 ZINC001046064259 673856013 /nfs/dbraw/zinc/85/60/13/673856013.db2.gz IWFGPOGHWYHBFZ-MELADBBJSA-N 1 0 340.424 -1.770 20 0 EAADRO Cn1ncc(CCC(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)n1 ZINC001046064618 673856647 /nfs/dbraw/zinc/85/66/47/673856647.db2.gz PUOWDBHHGKODEY-HNNXBMFYSA-N 1 0 336.440 -1.042 20 0 EAADRO Cn1ncc(CCC(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)n1 ZINC001046064619 673856511 /nfs/dbraw/zinc/85/65/11/673856511.db2.gz PUOWDBHHGKODEY-OAHLLOKOSA-N 1 0 336.440 -1.042 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)[nH]1 ZINC001046064846 673856297 /nfs/dbraw/zinc/85/62/97/673856297.db2.gz WLCVDHBZRRYCFO-GFCCVEGCSA-N 1 0 335.408 -1.062 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)[nH]1 ZINC001046064847 673856354 /nfs/dbraw/zinc/85/63/54/673856354.db2.gz WLCVDHBZRRYCFO-LBPRGKRZSA-N 1 0 335.408 -1.062 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046065948 673856392 /nfs/dbraw/zinc/85/63/92/673856392.db2.gz GYCRADTUPKSMNV-AWEZNQCLSA-N 1 0 334.424 -1.083 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046065949 673856261 /nfs/dbraw/zinc/85/62/61/673856261.db2.gz GYCRADTUPKSMNV-CQSZACIVSA-N 1 0 334.424 -1.083 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046069193 673856272 /nfs/dbraw/zinc/85/62/72/673856272.db2.gz CQOBRPCLSMRFLC-NEPJUHHUSA-N 1 0 339.396 -2.205 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046069194 673856587 /nfs/dbraw/zinc/85/65/87/673856587.db2.gz CQOBRPCLSMRFLC-RYUDHWBXSA-N 1 0 339.396 -2.205 20 0 EAADRO Cn1ncc(C(=O)N2CCN([C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)n1 ZINC001046069273 673856358 /nfs/dbraw/zinc/85/63/58/673856358.db2.gz FRZMWQIIRGRWRQ-GXTWGEPZSA-N 1 0 347.423 -1.464 20 0 EAADRO Cn1ncc(C(=O)N2CCN([C@H]3CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)n1 ZINC001046069277 673856497 /nfs/dbraw/zinc/85/64/97/673856497.db2.gz FRZMWQIIRGRWRQ-JSGCOSHPSA-N 1 0 347.423 -1.464 20 0 EAADRO Cn1ncc(C(=O)N2CCN([C@@H]3CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)n1 ZINC001046069280 673856462 /nfs/dbraw/zinc/85/64/62/673856462.db2.gz FRZMWQIIRGRWRQ-OCCSQVGLSA-N 1 0 347.423 -1.464 20 0 EAADRO Cn1ncc(C(=O)N2CCN([C@@H]3CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)n1 ZINC001046069284 673856627 /nfs/dbraw/zinc/85/66/27/673856627.db2.gz FRZMWQIIRGRWRQ-TZMCWYRMSA-N 1 0 347.423 -1.464 20 0 EAADRO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 ZINC001046069375 673856524 /nfs/dbraw/zinc/85/65/24/673856524.db2.gz FOQAPCHONKTHDE-CYBMUJFWSA-N 1 0 349.435 -1.064 20 0 EAADRO CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 ZINC001046069376 673856402 /nfs/dbraw/zinc/85/64/02/673856402.db2.gz FOQAPCHONKTHDE-ZDUSSCGKSA-N 1 0 349.435 -1.064 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046069688 673856669 /nfs/dbraw/zinc/85/66/69/673856669.db2.gz KAYLVVXQLDYSBT-GXTWGEPZSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046069690 673856552 /nfs/dbraw/zinc/85/65/52/673856552.db2.gz KAYLVVXQLDYSBT-JSGCOSHPSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046069692 673856470 /nfs/dbraw/zinc/85/64/70/673856470.db2.gz KAYLVVXQLDYSBT-OCCSQVGLSA-N 1 0 349.439 -1.089 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046069694 673856325 /nfs/dbraw/zinc/85/63/25/673856325.db2.gz KAYLVVXQLDYSBT-TZMCWYRMSA-N 1 0 349.439 -1.089 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070020 673856289 /nfs/dbraw/zinc/85/62/89/673856289.db2.gz NLJZKUSHXOJGMA-CHWSQXEVSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070021 673856651 /nfs/dbraw/zinc/85/66/51/673856651.db2.gz NLJZKUSHXOJGMA-OLZOCXBDSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070022 673856605 /nfs/dbraw/zinc/85/66/05/673856605.db2.gz NLJZKUSHXOJGMA-QWHCGFSZSA-N 1 0 349.439 -1.218 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070023 673856618 /nfs/dbraw/zinc/85/66/18/673856618.db2.gz NLJZKUSHXOJGMA-STQMWFEESA-N 1 0 349.439 -1.218 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046070078 673856441 /nfs/dbraw/zinc/85/64/41/673856441.db2.gz ONFASWJUYOBZKZ-CYBMUJFWSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046070079 673856678 /nfs/dbraw/zinc/85/66/78/673856678.db2.gz ONFASWJUYOBZKZ-ZDUSSCGKSA-N 1 0 338.408 -1.750 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070159 673856418 /nfs/dbraw/zinc/85/64/18/673856418.db2.gz PMTMIIZMLUPTDZ-NEPJUHHUSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070161 673856424 /nfs/dbraw/zinc/85/64/24/673856424.db2.gz PMTMIIZMLUPTDZ-NWDGAFQWSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070163 673856446 /nfs/dbraw/zinc/85/64/46/673856446.db2.gz PMTMIIZMLUPTDZ-RYUDHWBXSA-N 1 0 335.412 -1.479 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070165 673856350 /nfs/dbraw/zinc/85/63/50/673856350.db2.gz PMTMIIZMLUPTDZ-VXGBXAGGSA-N 1 0 335.412 -1.479 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070237 673856532 /nfs/dbraw/zinc/85/65/32/673856532.db2.gz QIZFNTHTRJMAIH-CYBMUJFWSA-N 1 0 349.439 -1.265 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070238 673856562 /nfs/dbraw/zinc/85/65/62/673856562.db2.gz QIZFNTHTRJMAIH-ZDUSSCGKSA-N 1 0 349.439 -1.265 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070693 673856682 /nfs/dbraw/zinc/85/66/82/673856682.db2.gz ZMQCVZWUWLLAID-GFCCVEGCSA-N 1 0 335.412 -1.607 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070694 673856412 /nfs/dbraw/zinc/85/64/12/673856412.db2.gz ZMQCVZWUWLLAID-LBPRGKRZSA-N 1 0 335.412 -1.607 20 0 EAADRO O=C(c1nc[nH]n1)N1CCN([C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046070755 673856952 /nfs/dbraw/zinc/85/69/52/673856952.db2.gz BLBQWHDIOHPZMM-CHWSQXEVSA-N 1 0 347.423 -1.085 20 0 EAADRO O=C(c1nc[nH]n1)N1CCN([C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046070756 673857034 /nfs/dbraw/zinc/85/70/34/673857034.db2.gz BLBQWHDIOHPZMM-OLZOCXBDSA-N 1 0 347.423 -1.085 20 0 EAADRO O=C(c1nc[nH]n1)N1CCN([C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046070757 673856962 /nfs/dbraw/zinc/85/69/62/673856962.db2.gz BLBQWHDIOHPZMM-QWHCGFSZSA-N 1 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O=C(c1nc[nH]n1)N1CCN([C@@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001046071321 673857075 /nfs/dbraw/zinc/85/70/75/673857075.db2.gz GYMPBNAOSUHFJT-CYBMUJFWSA-N 1 0 345.411 -1.072 20 0 EAADRO O=C(c1nc[nH]n1)N1CCN([C@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001046071322 673856815 /nfs/dbraw/zinc/85/68/15/673856815.db2.gz GYMPBNAOSUHFJT-ZDUSSCGKSA-N 1 0 345.411 -1.072 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071603 673856882 /nfs/dbraw/zinc/85/68/82/673856882.db2.gz JYOKVOSRSOITOA-NEPJUHHUSA-N 1 0 335.412 -1.229 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071606 673856937 /nfs/dbraw/zinc/85/69/37/673856937.db2.gz JYOKVOSRSOITOA-NWDGAFQWSA-N 1 0 335.412 -1.229 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071608 673857010 /nfs/dbraw/zinc/85/70/10/673857010.db2.gz JYOKVOSRSOITOA-RYUDHWBXSA-N 1 0 335.412 -1.229 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 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C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046078978 673857782 /nfs/dbraw/zinc/85/77/82/673857782.db2.gz OOQNDGXVQZWIKE-NEPJUHHUSA-N 1 0 335.412 -1.561 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046078979 673857792 /nfs/dbraw/zinc/85/77/92/673857792.db2.gz OOQNDGXVQZWIKE-NWDGAFQWSA-N 1 0 335.412 -1.561 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046078980 673857979 /nfs/dbraw/zinc/85/79/79/673857979.db2.gz OOQNDGXVQZWIKE-RYUDHWBXSA-N 1 0 335.412 -1.561 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046078981 673858125 /nfs/dbraw/zinc/85/81/25/673858125.db2.gz OOQNDGXVQZWIKE-VXGBXAGGSA-N 1 0 335.412 -1.561 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079689 673858120 /nfs/dbraw/zinc/85/81/20/673858120.db2.gz ZJQTWPYLDNYQMO-CYBMUJFWSA-N 1 0 349.439 -1.346 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079690 673857763 /nfs/dbraw/zinc/85/77/63/673857763.db2.gz ZJQTWPYLDNYQMO-ZDUSSCGKSA-N 1 0 349.439 -1.346 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081102 673857881 /nfs/dbraw/zinc/85/78/81/673857881.db2.gz GLFJVXOPSLTYQC-AWEZNQCLSA-N 1 0 349.439 -1.415 20 0 EAADRO CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081103 673858071 /nfs/dbraw/zinc/85/80/71/673858071.db2.gz GLFJVXOPSLTYQC-CQSZACIVSA-N 1 0 349.439 -1.415 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046081711 673858549 /nfs/dbraw/zinc/85/85/49/673858549.db2.gz JSSKWZIHXRLXIS-CYBMUJFWSA-N 1 0 338.408 -1.654 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046081712 673858382 /nfs/dbraw/zinc/85/83/82/673858382.db2.gz JSSKWZIHXRLXIS-ZDUSSCGKSA-N 1 0 338.408 -1.654 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046082684 673858627 /nfs/dbraw/zinc/85/86/27/673858627.db2.gz VORCSVRMNRKCGD-GFCCVEGCSA-N 1 0 348.407 -1.600 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046082685 673858622 /nfs/dbraw/zinc/85/86/22/673858622.db2.gz VORCSVRMNRKCGD-LBPRGKRZSA-N 1 0 348.407 -1.600 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046082815 673858581 /nfs/dbraw/zinc/85/85/81/673858581.db2.gz HUNYWAKSPSFNKW-KBPBESRZSA-N 1 0 349.439 -1.240 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046082816 673858681 /nfs/dbraw/zinc/85/86/81/673858681.db2.gz HUNYWAKSPSFNKW-KGLIPLIRSA-N 1 0 349.439 -1.240 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046082817 673858303 /nfs/dbraw/zinc/85/83/03/673858303.db2.gz HUNYWAKSPSFNKW-UONOGXRCSA-N 1 0 349.439 -1.240 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046082818 673858447 /nfs/dbraw/zinc/85/84/47/673858447.db2.gz HUNYWAKSPSFNKW-ZIAGYGMSSA-N 1 0 349.439 -1.240 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083015 673858517 /nfs/dbraw/zinc/85/85/17/673858517.db2.gz IUZVMOFQKLWJQV-KBPBESRZSA-N 1 0 349.435 -1.007 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083016 673858458 /nfs/dbraw/zinc/85/84/58/673858458.db2.gz IUZVMOFQKLWJQV-KGLIPLIRSA-N 1 0 349.435 -1.007 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083017 673858660 /nfs/dbraw/zinc/85/86/60/673858660.db2.gz IUZVMOFQKLWJQV-UONOGXRCSA-N 1 0 349.435 -1.007 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083018 673858316 /nfs/dbraw/zinc/85/83/16/673858316.db2.gz IUZVMOFQKLWJQV-ZIAGYGMSSA-N 1 0 349.435 -1.007 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083180 673858326 /nfs/dbraw/zinc/85/83/26/673858326.db2.gz LWOWWEUMLVWMNL-CHWSQXEVSA-N 1 0 335.412 -1.630 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083181 673858481 /nfs/dbraw/zinc/85/84/81/673858481.db2.gz LWOWWEUMLVWMNL-OLZOCXBDSA-N 1 0 335.412 -1.630 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083182 673858471 /nfs/dbraw/zinc/85/84/71/673858471.db2.gz LWOWWEUMLVWMNL-QWHCGFSZSA-N 1 0 335.412 -1.630 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083183 673858337 /nfs/dbraw/zinc/85/83/37/673858337.db2.gz LWOWWEUMLVWMNL-STQMWFEESA-N 1 0 335.412 -1.630 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCN([C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046083188 673858545 /nfs/dbraw/zinc/85/85/45/673858545.db2.gz MBJOMSOEBBYHQQ-GFCCVEGCSA-N 1 0 341.387 -1.274 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCN([C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046083189 673858424 /nfs/dbraw/zinc/85/84/24/673858424.db2.gz MBJOMSOEBBYHQQ-LBPRGKRZSA-N 1 0 341.387 -1.274 20 0 EAADRO Cn1nc(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)ccc1=O ZINC001046083218 673858631 /nfs/dbraw/zinc/85/86/31/673858631.db2.gz NGCPDVGSSMFRGG-AWEZNQCLSA-N 1 0 349.435 -1.005 20 0 EAADRO Cn1nc(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)ccc1=O ZINC001046083219 673858496 /nfs/dbraw/zinc/85/84/96/673858496.db2.gz NGCPDVGSSMFRGG-CQSZACIVSA-N 1 0 349.435 -1.005 20 0 EAADRO Cn1nc(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)ccc1=O ZINC001046083324 673858309 /nfs/dbraw/zinc/85/83/09/673858309.db2.gz PYDHCVKSVBBSPL-CYBMUJFWSA-N 1 0 335.408 -1.395 20 0 EAADRO Cn1nc(C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)ccc1=O ZINC001046083325 673858586 /nfs/dbraw/zinc/85/85/86/673858586.db2.gz PYDHCVKSVBBSPL-ZDUSSCGKSA-N 1 0 335.408 -1.395 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083523 673859166 /nfs/dbraw/zinc/85/91/66/673859166.db2.gz SHAVNPNNFFTYLF-KBPBESRZSA-N 1 0 349.439 -1.369 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083524 673859112 /nfs/dbraw/zinc/85/91/12/673859112.db2.gz SHAVNPNNFFTYLF-KGLIPLIRSA-N 1 0 349.439 -1.369 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083525 673859064 /nfs/dbraw/zinc/85/90/64/673859064.db2.gz SHAVNPNNFFTYLF-UONOGXRCSA-N 1 0 349.439 -1.369 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083526 673858845 /nfs/dbraw/zinc/85/88/45/673858845.db2.gz SHAVNPNNFFTYLF-ZIAGYGMSSA-N 1 0 349.439 -1.369 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046083527 673858833 /nfs/dbraw/zinc/85/88/33/673858833.db2.gz SHQUNDZYWQDIEQ-GFCCVEGCSA-N 1 0 339.396 -2.251 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046083528 673859087 /nfs/dbraw/zinc/85/90/87/673859087.db2.gz SHQUNDZYWQDIEQ-LBPRGKRZSA-N 1 0 339.396 -2.251 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083609 673859128 /nfs/dbraw/zinc/85/91/28/673859128.db2.gz VMKGNCSLSVTRQP-CYBMUJFWSA-N 1 0 335.412 -1.757 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083610 673859157 /nfs/dbraw/zinc/85/91/57/673859157.db2.gz VMKGNCSLSVTRQP-ZDUSSCGKSA-N 1 0 335.412 -1.757 20 0 EAADRO O=C(Cn1cncn1)N1CCN([C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046083721 673859222 /nfs/dbraw/zinc/85/92/22/673859222.db2.gz YIWAGTUDSPGMOG-KBPBESRZSA-N 1 0 347.423 -1.615 20 0 EAADRO O=C(Cn1cncn1)N1CCN([C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046083722 673859000 /nfs/dbraw/zinc/85/90/00/673859000.db2.gz YIWAGTUDSPGMOG-KGLIPLIRSA-N 1 0 347.423 -1.615 20 0 EAADRO O=C(Cn1cncn1)N1CCN([C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046083723 673859135 /nfs/dbraw/zinc/85/91/35/673859135.db2.gz YIWAGTUDSPGMOG-UONOGXRCSA-N 1 0 347.423 -1.615 20 0 EAADRO O=C(Cn1cncn1)N1CCN([C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046083724 673859177 /nfs/dbraw/zinc/85/91/77/673859177.db2.gz YIWAGTUDSPGMOG-ZIAGYGMSSA-N 1 0 347.423 -1.615 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046083895 673858831 /nfs/dbraw/zinc/85/88/31/673858831.db2.gz DMKADQDMUMCDHD-CHWSQXEVSA-N 1 0 346.453 -2.111 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046083896 673859105 /nfs/dbraw/zinc/85/91/05/673859105.db2.gz DMKADQDMUMCDHD-OLZOCXBDSA-N 1 0 346.453 -2.111 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046083897 673858899 /nfs/dbraw/zinc/85/88/99/673858899.db2.gz DMKADQDMUMCDHD-QWHCGFSZSA-N 1 0 346.453 -2.111 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046083898 673858915 /nfs/dbraw/zinc/85/89/15/673858915.db2.gz DMKADQDMUMCDHD-STQMWFEESA-N 1 0 346.453 -2.111 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)c[nH]1 ZINC001046083967 673858927 /nfs/dbraw/zinc/85/89/27/673858927.db2.gz GDCJCOWKOWHSMT-CYBMUJFWSA-N 1 0 335.408 -1.062 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)c[nH]1 ZINC001046083968 673858971 /nfs/dbraw/zinc/85/89/71/673858971.db2.gz GDCJCOWKOWHSMT-ZDUSSCGKSA-N 1 0 335.408 -1.062 20 0 EAADRO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046084037 673858889 /nfs/dbraw/zinc/85/88/89/673858889.db2.gz HXOBOSSQOHOGHT-CHWSQXEVSA-N 1 0 330.454 -1.084 20 0 EAADRO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046084038 673858836 /nfs/dbraw/zinc/85/88/36/673858836.db2.gz HXOBOSSQOHOGHT-OLZOCXBDSA-N 1 0 330.454 -1.084 20 0 EAADRO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046084039 673858988 /nfs/dbraw/zinc/85/89/88/673858988.db2.gz HXOBOSSQOHOGHT-QWHCGFSZSA-N 1 0 330.454 -1.084 20 0 EAADRO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046084040 673859145 /nfs/dbraw/zinc/85/91/45/673859145.db2.gz HXOBOSSQOHOGHT-STQMWFEESA-N 1 0 330.454 -1.084 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCN([C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046084049 673859204 /nfs/dbraw/zinc/85/92/04/673859204.db2.gz IBDVHAKNAWUGEM-CHWSQXEVSA-N 1 0 348.444 -1.134 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCN([C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046084050 673859032 /nfs/dbraw/zinc/85/90/32/673859032.db2.gz IBDVHAKNAWUGEM-OLZOCXBDSA-N 1 0 348.444 -1.134 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCN([C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046084051 673859119 /nfs/dbraw/zinc/85/91/19/673859119.db2.gz IBDVHAKNAWUGEM-QWHCGFSZSA-N 1 0 348.444 -1.134 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCN([C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046084052 673859211 /nfs/dbraw/zinc/85/92/11/673859211.db2.gz IBDVHAKNAWUGEM-STQMWFEESA-N 1 0 348.444 -1.134 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C)n3)CC2)C1 ZINC001046084145 673858993 /nfs/dbraw/zinc/85/89/93/673858993.db2.gz KTVVMARGEUFUED-CYBMUJFWSA-N 1 0 334.424 -1.002 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C)n3)CC2)C1 ZINC001046084146 673858828 /nfs/dbraw/zinc/85/88/28/673858828.db2.gz KTVVMARGEUFUED-ZDUSSCGKSA-N 1 0 334.424 -1.002 20 0 EAADRO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)C1 ZINC001046085183 673858944 /nfs/dbraw/zinc/85/89/44/673858944.db2.gz DUGCRSMHDDZNJP-GFCCVEGCSA-N 1 0 335.412 -1.385 20 0 EAADRO CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)C1 ZINC001046085184 673859196 /nfs/dbraw/zinc/85/91/96/673859196.db2.gz DUGCRSMHDDZNJP-LBPRGKRZSA-N 1 0 335.412 -1.385 20 0 EAADRO Cn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)n(C)c1=O ZINC001046085454 673859003 /nfs/dbraw/zinc/85/90/03/673859003.db2.gz PHFUIOQGTCRRFY-CYBMUJFWSA-N 1 0 337.424 -1.452 20 0 EAADRO Cn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)n(C)c1=O ZINC001046085456 673858920 /nfs/dbraw/zinc/85/89/20/673858920.db2.gz PHFUIOQGTCRRFY-ZDUSSCGKSA-N 1 0 337.424 -1.452 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086204 673859583 /nfs/dbraw/zinc/85/95/83/673859583.db2.gz NDLVMIZEDWQNFH-CVEARBPZSA-N 1 0 340.468 -1.082 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086206 673859504 /nfs/dbraw/zinc/85/95/04/673859504.db2.gz NDLVMIZEDWQNFH-HOTGVXAUSA-N 1 0 340.468 -1.082 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086207 673859545 /nfs/dbraw/zinc/85/95/45/673859545.db2.gz NDLVMIZEDWQNFH-HZPDHXFCSA-N 1 0 340.468 -1.082 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086209 673859374 /nfs/dbraw/zinc/85/93/74/673859374.db2.gz NDLVMIZEDWQNFH-JKSUJKDBSA-N 1 0 340.468 -1.082 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046088069 673859674 /nfs/dbraw/zinc/85/96/74/673859674.db2.gz DRGGRTGVPBYFEU-KBPBESRZSA-N 1 0 339.440 -1.260 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046088070 673859740 /nfs/dbraw/zinc/85/97/40/673859740.db2.gz DRGGRTGVPBYFEU-KGLIPLIRSA-N 1 0 339.440 -1.260 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088517 673859388 /nfs/dbraw/zinc/85/93/88/673859388.db2.gz OQJYSBVHPJZAIW-AWEZNQCLSA-N 1 0 334.424 -1.152 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088518 673859772 /nfs/dbraw/zinc/85/97/72/673859772.db2.gz OQJYSBVHPJZAIW-CQSZACIVSA-N 1 0 334.424 -1.152 20 0 EAADRO O=C(Cn1ccnc1)N1CCN([C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046088773 673859617 /nfs/dbraw/zinc/85/96/17/673859617.db2.gz VJLCZQKEOMEMCU-CABCVRRESA-N 1 0 346.435 -1.010 20 0 EAADRO O=C(Cn1ccnc1)N1CCN([C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046088774 673859565 /nfs/dbraw/zinc/85/95/65/673859565.db2.gz VJLCZQKEOMEMCU-GJZGRUSLSA-N 1 0 346.435 -1.010 20 0 EAADRO O=C(Cn1ccnc1)N1CCN([C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046088775 673859407 /nfs/dbraw/zinc/85/94/07/673859407.db2.gz VJLCZQKEOMEMCU-HUUCEWRRSA-N 1 0 346.435 -1.010 20 0 EAADRO O=C(Cn1ccnc1)N1CCN([C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046088776 673859363 /nfs/dbraw/zinc/85/93/63/673859363.db2.gz VJLCZQKEOMEMCU-LSDHHAIUSA-N 1 0 346.435 -1.010 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046089038 673859603 /nfs/dbraw/zinc/85/96/03/673859603.db2.gz XYSJZYALSGJBFS-KBPBESRZSA-N 1 0 334.424 -1.025 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046089040 673859688 /nfs/dbraw/zinc/85/96/88/673859688.db2.gz XYSJZYALSGJBFS-KGLIPLIRSA-N 1 0 334.424 -1.025 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046089041 673859531 /nfs/dbraw/zinc/85/95/31/673859531.db2.gz XYSJZYALSGJBFS-UONOGXRCSA-N 1 0 334.424 -1.025 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046089043 673859484 /nfs/dbraw/zinc/85/94/84/673859484.db2.gz XYSJZYALSGJBFS-ZIAGYGMSSA-N 1 0 334.424 -1.025 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001046089083 673859355 /nfs/dbraw/zinc/85/93/55/673859355.db2.gz YTNROFSHZGRHKT-GFCCVEGCSA-N 1 0 336.396 -1.044 20 0 EAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001046089084 673859525 /nfs/dbraw/zinc/85/95/25/673859525.db2.gz YTNROFSHZGRHKT-LBPRGKRZSA-N 1 0 336.396 -1.044 20 0 EAADRO Cn1cc(CCC(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)nn1 ZINC001046089206 673859716 /nfs/dbraw/zinc/85/97/16/673859716.db2.gz AJDHGCCJJPNGKW-HNNXBMFYSA-N 1 0 336.440 -1.042 20 0 EAADRO Cn1cc(CCC(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)nn1 ZINC001046089209 673859579 /nfs/dbraw/zinc/85/95/79/673859579.db2.gz AJDHGCCJJPNGKW-OAHLLOKOSA-N 1 0 336.440 -1.042 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046089306 673859541 /nfs/dbraw/zinc/85/95/41/673859541.db2.gz BHWRUMIDUATEQW-CHWSQXEVSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046089308 673859445 /nfs/dbraw/zinc/85/94/45/673859445.db2.gz BHWRUMIDUATEQW-OLZOCXBDSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046089310 673859463 /nfs/dbraw/zinc/85/94/63/673859463.db2.gz BHWRUMIDUATEQW-QWHCGFSZSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046089311 673859597 /nfs/dbraw/zinc/85/95/97/673859597.db2.gz BHWRUMIDUATEQW-STQMWFEESA-N 1 0 338.408 -1.750 20 0 EAADRO C[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1)N1CCOCC1 ZINC001046090579 673859684 /nfs/dbraw/zinc/85/96/84/673859684.db2.gz YPYNBTNJGIGIDH-HOTGVXAUSA-N 1 0 340.468 -1.082 20 0 EAADRO C[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1)N1CCOCC1 ZINC001046090580 673859497 /nfs/dbraw/zinc/85/94/97/673859497.db2.gz YPYNBTNJGIGIDH-JKSUJKDBSA-N 1 0 340.468 -1.082 20 0 EAADRO C[C@]1(NC(=O)c2ccc(=O)[nH]n2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046125790 673859967 /nfs/dbraw/zinc/85/99/67/673859967.db2.gz VZZRVCZPCMRZEV-HNNXBMFYSA-N 1 0 348.363 -1.072 20 0 EAADRO C[C@@]1(NC(=O)c2ccc(=O)[nH]n2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046125791 673860102 /nfs/dbraw/zinc/86/01/02/673860102.db2.gz VZZRVCZPCMRZEV-OAHLLOKOSA-N 1 0 348.363 -1.072 20 0 EAADRO C[C@]1(NC(=O)[C@H]2COCCO2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046162079 673860732 /nfs/dbraw/zinc/86/07/32/673860732.db2.gz FDFSSYNLRVEERI-ABAIWWIYSA-N 1 0 340.380 -1.466 20 0 EAADRO C[C@@]1(NC(=O)[C@H]2COCCO2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046162082 673860937 /nfs/dbraw/zinc/86/09/37/673860937.db2.gz FDFSSYNLRVEERI-IAQYHMDHSA-N 1 0 340.380 -1.466 20 0 EAADRO C[C@]1(NC(=O)[C@@H]2COCCO2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046162084 673860806 /nfs/dbraw/zinc/86/08/06/673860806.db2.gz FDFSSYNLRVEERI-NHYWBVRUSA-N 1 0 340.380 -1.466 20 0 EAADRO C[C@@]1(NC(=O)[C@@H]2COCCO2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046162086 673860793 /nfs/dbraw/zinc/86/07/93/673860793.db2.gz FDFSSYNLRVEERI-XHDPSFHLSA-N 1 0 340.380 -1.466 20 0 EAADRO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001046199779 673861101 /nfs/dbraw/zinc/86/11/01/673861101.db2.gz KIVZOUOHVRDQEL-BDJLRTHQSA-N 1 0 336.392 -1.005 20 0 EAADRO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001046199783 673861307 /nfs/dbraw/zinc/86/13/07/673861307.db2.gz KIVZOUOHVRDQEL-BZNIZROVSA-N 1 0 336.392 -1.005 20 0 EAADRO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046200614 673861401 /nfs/dbraw/zinc/86/14/01/673861401.db2.gz RZRGFCWBAGJADV-BMIGLBTASA-N 1 0 337.380 -1.603 20 0 EAADRO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046200615 673861456 /nfs/dbraw/zinc/86/14/56/673861456.db2.gz RZRGFCWBAGJADV-MEBBXXQBSA-N 1 0 337.380 -1.603 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202132 673861706 /nfs/dbraw/zinc/86/17/06/673861706.db2.gz BIRACGHREYLSKD-HNNXBMFYSA-N 1 0 340.424 -1.315 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202165 673861682 /nfs/dbraw/zinc/86/16/82/673861682.db2.gz BWROCUSDTQHQHM-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1)[NH+](C)C ZINC001046202389 673862073 /nfs/dbraw/zinc/86/20/73/673862073.db2.gz HFKYOGMCGHBRDU-ABAIWWIYSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1)[NH+](C)C ZINC001046202392 673861959 /nfs/dbraw/zinc/86/19/59/673861959.db2.gz HFKYOGMCGHBRDU-NHYWBVRUSA-N 1 0 340.424 -1.315 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202652 673862020 /nfs/dbraw/zinc/86/20/20/673862020.db2.gz KASDTJLTJAWRJO-ABAIWWIYSA-N 1 0 338.408 -1.561 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202653 673862038 /nfs/dbraw/zinc/86/20/38/673862038.db2.gz KASDTJLTJAWRJO-NHYWBVRUSA-N 1 0 338.408 -1.561 20 0 EAADRO C[C@@]1(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CCC(=O)N1 ZINC001046202664 673862082 /nfs/dbraw/zinc/86/20/82/673862082.db2.gz KOKJBVPUINPMRR-HNNXBMFYSA-N 1 0 338.408 -1.560 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202673 673861988 /nfs/dbraw/zinc/86/19/88/673861988.db2.gz KUVGSPAXYWBURF-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202869 673862309 /nfs/dbraw/zinc/86/23/09/673862309.db2.gz ODFBUUPWZRYMEQ-AWEZNQCLSA-N 1 0 326.397 -1.704 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202900 673862343 /nfs/dbraw/zinc/86/23/43/673862343.db2.gz PGNSGOQZTQIKIM-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001046202923 673862159 /nfs/dbraw/zinc/86/21/59/673862159.db2.gz QIOIZAQRTXKAIZ-HNNXBMFYSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC001046203262 673862576 /nfs/dbraw/zinc/86/25/76/673862576.db2.gz YAHCKQPXSWPFRQ-ABAIWWIYSA-N 1 0 338.408 -1.704 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC001046203265 673862505 /nfs/dbraw/zinc/86/25/05/673862505.db2.gz YAHCKQPXSWPFRQ-NHYWBVRUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@]1(NC(=O)c2nccnc2N)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046204642 673862615 /nfs/dbraw/zinc/86/26/15/673862615.db2.gz QZILHLGYJUODPF-HNNXBMFYSA-N 1 0 347.379 -1.195 20 0 EAADRO C[C@@]1(NC(=O)c2nccnc2N)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046204644 673862696 /nfs/dbraw/zinc/86/26/96/673862696.db2.gz QZILHLGYJUODPF-OAHLLOKOSA-N 1 0 347.379 -1.195 20 0 EAADRO Cc1c(C(=O)N[C@@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)nnn1C ZINC001046204724 673862471 /nfs/dbraw/zinc/86/24/71/673862471.db2.gz GECRWTHLEBHUQD-HNNXBMFYSA-N 1 0 349.395 -1.130 20 0 EAADRO Cc1c(C(=O)N[C@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)nnn1C ZINC001046204725 673862672 /nfs/dbraw/zinc/86/26/72/673862672.db2.gz GECRWTHLEBHUQD-OAHLLOKOSA-N 1 0 349.395 -1.130 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001046205795 673862605 /nfs/dbraw/zinc/86/26/05/673862605.db2.gz AIELHRKPBOAIFN-UHFFFAOYSA-N 1 0 343.359 -1.570 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001046205905 673862881 /nfs/dbraw/zinc/86/28/81/673862881.db2.gz CKXSWWKJEODEHQ-JTQLQIEISA-N 1 0 325.344 -1.054 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001046205906 673863003 /nfs/dbraw/zinc/86/30/03/673863003.db2.gz CKXSWWKJEODEHQ-SNVBAGLBSA-N 1 0 325.344 -1.054 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1n[nH]cc1F ZINC001046206356 673863070 /nfs/dbraw/zinc/86/30/70/673863070.db2.gz IWLHLWDTORJCTA-UHFFFAOYSA-N 1 0 337.355 -1.052 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001046210406 673863407 /nfs/dbraw/zinc/86/34/07/673863407.db2.gz BSZFPFYEXYMBKX-UHFFFAOYSA-N 1 0 325.344 -1.052 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3n[nH]cc3F)C2)C1 ZINC001046211044 673863578 /nfs/dbraw/zinc/86/35/78/673863578.db2.gz OTQGIXHKPKZRTQ-SECBINFHSA-N 1 0 325.344 -1.196 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3n[nH]cc3F)C2)C1 ZINC001046211045 673864007 /nfs/dbraw/zinc/86/40/07/673864007.db2.gz OTQGIXHKPKZRTQ-VIFPVBQESA-N 1 0 325.344 -1.196 20 0 EAADRO CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001046219729 673864290 /nfs/dbraw/zinc/86/42/90/673864290.db2.gz QGXNOEGHTGJUNL-BBRMVZONSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001046219732 673864142 /nfs/dbraw/zinc/86/41/42/673864142.db2.gz QGXNOEGHTGJUNL-CJNGLKHVSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001046219735 673864185 /nfs/dbraw/zinc/86/41/85/673864185.db2.gz QGXNOEGHTGJUNL-CZUORRHYSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001046219737 673864281 /nfs/dbraw/zinc/86/42/81/673864281.db2.gz QGXNOEGHTGJUNL-XJKSGUPXSA-N 1 0 339.440 -1.077 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046236596 673865206 /nfs/dbraw/zinc/86/52/06/673865206.db2.gz JGMJGSSJPKMLOZ-NEPJUHHUSA-N 1 0 329.397 -1.569 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046236597 673865157 /nfs/dbraw/zinc/86/51/57/673865157.db2.gz JGMJGSSJPKMLOZ-NWDGAFQWSA-N 1 0 329.397 -1.569 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046236598 673865219 /nfs/dbraw/zinc/86/52/19/673865219.db2.gz JGMJGSSJPKMLOZ-RYUDHWBXSA-N 1 0 329.397 -1.569 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046236599 673865318 /nfs/dbraw/zinc/86/53/18/673865318.db2.gz JGMJGSSJPKMLOZ-VXGBXAGGSA-N 1 0 329.397 -1.569 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001046242482 673866158 /nfs/dbraw/zinc/86/61/58/673866158.db2.gz ADDUIGOREKECCL-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 ZINC001046242483 669820343 /nfs/dbraw/zinc/82/03/43/669820343.db2.gz ADDUIGOREKECCL-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001046242484 669820064 /nfs/dbraw/zinc/82/00/64/669820064.db2.gz ADGBWEIBQLFGBW-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 ZINC001046242485 669819943 /nfs/dbraw/zinc/81/99/43/669819943.db2.gz ADGBWEIBQLFGBW-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046242553 673866297 /nfs/dbraw/zinc/86/62/97/673866297.db2.gz CAYPIPULIHTHFH-GFCCVEGCSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046242554 673866283 /nfs/dbraw/zinc/86/62/83/673866283.db2.gz CAYPIPULIHTHFH-LBPRGKRZSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001046242743 673866589 /nfs/dbraw/zinc/86/65/89/673866589.db2.gz DRXLPSMPQUNVHP-CHWSQXEVSA-N 1 0 343.424 -1.323 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001046242748 673866450 /nfs/dbraw/zinc/86/64/50/673866450.db2.gz DRXLPSMPQUNVHP-OLZOCXBDSA-N 1 0 343.424 -1.323 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001046242752 673866567 /nfs/dbraw/zinc/86/65/67/673866567.db2.gz DRXLPSMPQUNVHP-QWHCGFSZSA-N 1 0 343.424 -1.323 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001046242755 673866577 /nfs/dbraw/zinc/86/65/77/673866577.db2.gz DRXLPSMPQUNVHP-STQMWFEESA-N 1 0 343.424 -1.323 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001046242824 673866594 /nfs/dbraw/zinc/86/65/94/673866594.db2.gz FAMPVQJTHAQMFQ-GFCCVEGCSA-N 1 0 347.412 -2.085 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001046242830 673866466 /nfs/dbraw/zinc/86/64/66/673866466.db2.gz FAMPVQJTHAQMFQ-LBPRGKRZSA-N 1 0 347.412 -2.085 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001046243371 673866847 /nfs/dbraw/zinc/86/68/47/673866847.db2.gz IGHJCBDKVYLIIG-CYBMUJFWSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001046243372 673866735 /nfs/dbraw/zinc/86/67/35/673866735.db2.gz IGHJCBDKVYLIIG-ZDUSSCGKSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046243404 673866857 /nfs/dbraw/zinc/86/68/57/673866857.db2.gz INBVPCFENMEMRQ-NEPJUHHUSA-N 1 0 329.397 -1.711 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046243406 673866740 /nfs/dbraw/zinc/86/67/40/673866740.db2.gz INBVPCFENMEMRQ-NWDGAFQWSA-N 1 0 329.397 -1.711 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046243407 673866851 /nfs/dbraw/zinc/86/68/51/673866851.db2.gz INBVPCFENMEMRQ-RYUDHWBXSA-N 1 0 329.397 -1.711 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046243409 673866861 /nfs/dbraw/zinc/86/68/61/673866861.db2.gz INBVPCFENMEMRQ-VXGBXAGGSA-N 1 0 329.397 -1.711 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001046243456 673866841 /nfs/dbraw/zinc/86/68/41/673866841.db2.gz JHSWGURBALMEHZ-GFCCVEGCSA-N 1 0 331.413 -1.323 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001046243457 673866792 /nfs/dbraw/zinc/86/67/92/673866792.db2.gz JHSWGURBALMEHZ-LBPRGKRZSA-N 1 0 331.413 -1.323 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001046243685 673867129 /nfs/dbraw/zinc/86/71/29/673867129.db2.gz LBCMHLQGTJBJPI-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 ZINC001046243686 673866959 /nfs/dbraw/zinc/86/69/59/673866959.db2.gz LBCMHLQGTJBJPI-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046243850 673867048 /nfs/dbraw/zinc/86/70/48/673867048.db2.gz MEGZRIIPWJBGRT-GFCCVEGCSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046243852 669819932 /nfs/dbraw/zinc/81/99/32/669819932.db2.gz MEGZRIIPWJBGRT-LBPRGKRZSA-N 1 0 331.413 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001046243921 673867145 /nfs/dbraw/zinc/86/71/45/673867145.db2.gz MUZXLELHKFSFDX-GFCCVEGCSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001046243926 673867154 /nfs/dbraw/zinc/86/71/54/673867154.db2.gz MUZXLELHKFSFDX-LBPRGKRZSA-N 1 0 343.424 -1.178 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1)[NH+](C)C ZINC001046243946 673867104 /nfs/dbraw/zinc/86/71/04/673867104.db2.gz MXPNPOQCVAZIAY-NEPJUHHUSA-N 1 0 331.413 -1.323 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1)[NH+](C)C ZINC001046243948 673867025 /nfs/dbraw/zinc/86/70/25/673867025.db2.gz MXPNPOQCVAZIAY-NWDGAFQWSA-N 1 0 331.413 -1.323 20 0 EAADRO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1)[NH+](C)C ZINC001046243950 673866899 /nfs/dbraw/zinc/86/68/99/673866899.db2.gz MXPNPOQCVAZIAY-RYUDHWBXSA-N 1 0 331.413 -1.323 20 0 EAADRO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1)[NH+](C)C ZINC001046243952 673866993 /nfs/dbraw/zinc/86/69/93/673866993.db2.gz MXPNPOQCVAZIAY-VXGBXAGGSA-N 1 0 331.413 -1.323 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046243988 673867147 /nfs/dbraw/zinc/86/71/47/673867147.db2.gz OEDHHBQSESSLNQ-CHWSQXEVSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046243989 673867000 /nfs/dbraw/zinc/86/70/00/673867000.db2.gz OEDHHBQSESSLNQ-OLZOCXBDSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046243990 673867011 /nfs/dbraw/zinc/86/70/11/673867011.db2.gz OEDHHBQSESSLNQ-QWHCGFSZSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046243991 673866970 /nfs/dbraw/zinc/86/69/70/673866970.db2.gz OEDHHBQSESSLNQ-STQMWFEESA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001046244103 673867228 /nfs/dbraw/zinc/86/72/28/673867228.db2.gz OQSXNPMJIRWCFU-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001046244105 673867251 /nfs/dbraw/zinc/86/72/51/673867251.db2.gz OQSXNPMJIRWCFU-OLZOCXBDSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001046244107 673867242 /nfs/dbraw/zinc/86/72/42/673867242.db2.gz OQSXNPMJIRWCFU-QWHCGFSZSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001046244109 673867434 /nfs/dbraw/zinc/86/74/34/673867434.db2.gz OQSXNPMJIRWCFU-STQMWFEESA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001046244208 673867298 /nfs/dbraw/zinc/86/72/98/673867298.db2.gz PXGONXNSXQGUKZ-GFCCVEGCSA-N 1 0 341.408 -1.567 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001046244210 673867377 /nfs/dbraw/zinc/86/73/77/673867377.db2.gz PXGONXNSXQGUKZ-LBPRGKRZSA-N 1 0 341.408 -1.567 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046244316 673867288 /nfs/dbraw/zinc/86/72/88/673867288.db2.gz QYYOGECAZLFMNJ-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046244317 673867347 /nfs/dbraw/zinc/86/73/47/673867347.db2.gz QYYOGECAZLFMNJ-OLZOCXBDSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046244318 673867362 /nfs/dbraw/zinc/86/73/62/673867362.db2.gz QYYOGECAZLFMNJ-QWHCGFSZSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046244319 673867428 /nfs/dbraw/zinc/86/74/28/673867428.db2.gz QYYOGECAZLFMNJ-STQMWFEESA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001046244477 673867743 /nfs/dbraw/zinc/86/77/43/673867743.db2.gz UQNHZGWIOULIMA-GFCCVEGCSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001046244479 673867686 /nfs/dbraw/zinc/86/76/86/673867686.db2.gz UQNHZGWIOULIMA-LBPRGKRZSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001046244555 673867638 /nfs/dbraw/zinc/86/76/38/673867638.db2.gz VOGJWESDZSHZKO-CYBMUJFWSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001046244556 673867591 /nfs/dbraw/zinc/86/75/91/673867591.db2.gz VOGJWESDZSHZKO-ZDUSSCGKSA-N 1 0 343.424 -1.178 20 0 EAADRO 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ZINC001046244755 673867732 /nfs/dbraw/zinc/86/77/32/673867732.db2.gz XWDBGEORUUKDIP-STQMWFEESA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001046244928 673867856 /nfs/dbraw/zinc/86/78/56/673867856.db2.gz ZSKFBNCHEBJIGH-CHWSQXEVSA-N 1 0 345.440 -1.077 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001046244929 673868069 /nfs/dbraw/zinc/86/80/69/673868069.db2.gz ZSKFBNCHEBJIGH-OLZOCXBDSA-N 1 0 345.440 -1.077 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001046244930 673868086 /nfs/dbraw/zinc/86/80/86/673868086.db2.gz ZSKFBNCHEBJIGH-QWHCGFSZSA-N 1 0 345.440 -1.077 20 0 EAADRO COC[C@H](OC)C(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001046244931 673868011 /nfs/dbraw/zinc/86/80/11/673868011.db2.gz ZSKFBNCHEBJIGH-STQMWFEESA-N 1 0 345.440 -1.077 20 0 EAADRO CN1CCOC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046248738 673868055 /nfs/dbraw/zinc/86/80/55/673868055.db2.gz RKGUALLQDJTJIA-BBRMVZONSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046248741 673867911 /nfs/dbraw/zinc/86/79/11/673867911.db2.gz RKGUALLQDJTJIA-CJNGLKHVSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046248743 673867999 /nfs/dbraw/zinc/86/79/99/673867999.db2.gz RKGUALLQDJTJIA-CZUORRHYSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCOC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046248745 673868021 /nfs/dbraw/zinc/86/80/21/673868021.db2.gz RKGUALLQDJTJIA-XJKSGUPXSA-N 1 0 339.440 -1.077 20 0 EAADRO Cn1ncc(C(=O)N[C@@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)c1N ZINC001046259065 673868926 /nfs/dbraw/zinc/86/89/26/673868926.db2.gz DVGOGSIELQYSRS-HNNXBMFYSA-N 1 0 349.395 -1.252 20 0 EAADRO Cn1ncc(C(=O)N[C@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)c1N ZINC001046259066 673868726 /nfs/dbraw/zinc/86/87/26/673868726.db2.gz DVGOGSIELQYSRS-OAHLLOKOSA-N 1 0 349.395 -1.252 20 0 EAADRO Cn1nncc1C(=O)N[C@@]1(C)CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC001046282102 673868852 /nfs/dbraw/zinc/86/88/52/673868852.db2.gz BGDHKVCOBVGSGZ-HNNXBMFYSA-N 1 0 349.395 -2.032 20 0 EAADRO Cn1nncc1C(=O)N[C@]1(C)CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC001046282105 673868667 /nfs/dbraw/zinc/86/86/67/673868667.db2.gz BGDHKVCOBVGSGZ-OAHLLOKOSA-N 1 0 349.395 -2.032 20 0 EAADRO Cn1nncc1C(=O)N[C@@]1(C)CCN(CC(=O)N2CCOCC2)C1 ZINC001046286266 673868717 /nfs/dbraw/zinc/86/87/17/673868717.db2.gz USKSCYADYAODEV-HNNXBMFYSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1nncc1C(=O)N[C@]1(C)CCN(CC(=O)N2CCOCC2)C1 ZINC001046286267 673868786 /nfs/dbraw/zinc/86/87/86/673868786.db2.gz USKSCYADYAODEV-OAHLLOKOSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(CC(=O)N2CCOCC2)C1 ZINC001046288247 673868629 /nfs/dbraw/zinc/86/86/29/673868629.db2.gz MSVRXGASFLKPRH-ABAIWWIYSA-N 1 0 340.380 -1.466 20 0 EAADRO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(CC(=O)N2CCOCC2)C1 ZINC001046288248 673868602 /nfs/dbraw/zinc/86/86/02/673868602.db2.gz MSVRXGASFLKPRH-IAQYHMDHSA-N 1 0 340.380 -1.466 20 0 EAADRO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(CC(=O)N2CCOCC2)C1 ZINC001046288249 673868551 /nfs/dbraw/zinc/86/85/51/673868551.db2.gz MSVRXGASFLKPRH-NHYWBVRUSA-N 1 0 340.380 -1.466 20 0 EAADRO Cn1nncc1C(=O)N[C@@]1(C)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001046288311 673869259 /nfs/dbraw/zinc/86/92/59/673869259.db2.gz NWWJZWGKPUHYTN-HNNXBMFYSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1nncc1C(=O)N[C@]1(C)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001046288312 673869184 /nfs/dbraw/zinc/86/91/84/673869184.db2.gz NWWJZWGKPUHYTN-OAHLLOKOSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001046294736 673869316 /nfs/dbraw/zinc/86/93/16/673869316.db2.gz VJFJMLQBUSVEDR-AWEZNQCLSA-N 1 0 335.368 -1.439 20 0 EAADRO Cn1cc(C(=O)N[C@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001046294737 673869280 /nfs/dbraw/zinc/86/92/80/673869280.db2.gz VJFJMLQBUSVEDR-CQSZACIVSA-N 1 0 335.368 -1.439 20 0 EAADRO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+](CCCN3C(=O)CNC3=O)C2)nn1 ZINC001046294805 673869161 /nfs/dbraw/zinc/86/91/61/673869161.db2.gz WJHOKULBWXCLKJ-HNNXBMFYSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cc(C(=O)N[C@]2(C)CC[N@H+](CCCN3C(=O)CNC3=O)C2)nn1 ZINC001046294806 673869096 /nfs/dbraw/zinc/86/90/96/673869096.db2.gz WJHOKULBWXCLKJ-OAHLLOKOSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+](CCCN3C(=O)CNC3=O)C2)n1 ZINC001046295492 673869214 /nfs/dbraw/zinc/86/92/14/673869214.db2.gz BKUWQEKTVNHHOK-HNNXBMFYSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+](CCCN3C(=O)CNC3=O)C2)n1 ZINC001046295493 673869139 /nfs/dbraw/zinc/86/91/39/673869139.db2.gz BKUWQEKTVNHHOK-OAHLLOKOSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001046296988 673869332 /nfs/dbraw/zinc/86/93/32/673869332.db2.gz WMOHNWUVNIPBEY-AWEZNQCLSA-N 1 0 335.368 -1.439 20 0 EAADRO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001046296989 673869151 /nfs/dbraw/zinc/86/91/51/673869151.db2.gz WMOHNWUVNIPBEY-CQSZACIVSA-N 1 0 335.368 -1.439 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046342314 673870186 /nfs/dbraw/zinc/87/01/86/673870186.db2.gz JCMSHBMBWPNXSH-CYBMUJFWSA-N 1 0 348.403 -1.217 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046342315 673870316 /nfs/dbraw/zinc/87/03/16/673870316.db2.gz JCMSHBMBWPNXSH-ZDUSSCGKSA-N 1 0 348.403 -1.217 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046358797 673870792 /nfs/dbraw/zinc/87/07/92/673870792.db2.gz GRXFVERPQCGEBM-UHFFFAOYSA-N 1 0 348.403 -1.216 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046359358 673870849 /nfs/dbraw/zinc/87/08/49/673870849.db2.gz LSBFHTGOAOYULC-GFCCVEGCSA-N 1 0 348.403 -1.360 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046359359 673870847 /nfs/dbraw/zinc/87/08/47/673870847.db2.gz LSBFHTGOAOYULC-LBPRGKRZSA-N 1 0 348.403 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20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001046664091 673887305 /nfs/dbraw/zinc/88/73/05/673887305.db2.gz DUKHXHTYDDVQGO-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001046664558 673887491 /nfs/dbraw/zinc/88/74/91/673887491.db2.gz IPNVFXAGGIELBK-LLVKDONJSA-N 1 0 337.384 -2.153 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001046664559 673887480 /nfs/dbraw/zinc/88/74/80/673887480.db2.gz IPNVFXAGGIELBK-NSHDSACASA-N 1 0 337.384 -2.153 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001046664568 673887548 /nfs/dbraw/zinc/88/75/48/673887548.db2.gz IZMSDNQBAQLIDY-LLVKDONJSA-N 1 0 347.437 -1.795 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001046664569 673887325 /nfs/dbraw/zinc/88/73/25/673887325.db2.gz IZMSDNQBAQLIDY-NSHDSACASA-N 1 0 347.437 -1.795 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001046664580 673887535 /nfs/dbraw/zinc/88/75/35/673887535.db2.gz JIAOZAFSHRTTNN-LLVKDONJSA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001046664581 673887258 /nfs/dbraw/zinc/88/72/58/673887258.db2.gz JIAOZAFSHRTTNN-NSHDSACASA-N 1 0 349.391 -1.030 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046664592 673887415 /nfs/dbraw/zinc/88/74/15/673887415.db2.gz JUOPEPVXTOFNGL-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046664593 673887149 /nfs/dbraw/zinc/88/71/49/673887149.db2.gz JUOPEPVXTOFNGL-NSHDSACASA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001046664949 673887245 /nfs/dbraw/zinc/88/72/45/673887245.db2.gz LUROUSZIWPMWAN-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001046664950 673887206 /nfs/dbraw/zinc/88/72/06/673887206.db2.gz LUROUSZIWPMWAN-NSHDSACASA-N 1 0 336.396 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/nfs/dbraw/zinc/88/71/30/673887130.db2.gz ODKYSPJMHURANZ-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046665460 673887283 /nfs/dbraw/zinc/88/72/83/673887283.db2.gz PQURCCVPRGFVOM-MNOVXSKESA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046665461 673887397 /nfs/dbraw/zinc/88/73/97/673887397.db2.gz PQURCCVPRGFVOM-QWRGUYRKSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001046665478 673887506 /nfs/dbraw/zinc/88/75/06/673887506.db2.gz QENKHRFHGFQHEC-NWDGAFQWSA-N 1 0 338.408 -1.561 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001046665479 673887425 /nfs/dbraw/zinc/88/74/25/673887425.db2.gz QENKHRFHGFQHEC-VXGBXAGGSA-N 1 0 338.408 -1.561 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046665539 673887874 /nfs/dbraw/zinc/88/78/74/673887874.db2.gz REIYBZAIOGQMJQ-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046665541 673887764 /nfs/dbraw/zinc/88/77/64/673887764.db2.gz REIYBZAIOGQMJQ-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001046665549 673887744 /nfs/dbraw/zinc/88/77/44/673887744.db2.gz RGOACSXGSGUEJG-GHMZBOCLSA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001046665553 673887661 /nfs/dbraw/zinc/88/76/61/673887661.db2.gz RGOACSXGSGUEJG-MNOVXSKESA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001046665554 673887898 /nfs/dbraw/zinc/88/78/98/673887898.db2.gz RGOACSXGSGUEJG-QWRGUYRKSA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001046665556 673887723 /nfs/dbraw/zinc/88/77/23/673887723.db2.gz RGOACSXGSGUEJG-WDEREUQCSA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001046665676 673888132 /nfs/dbraw/zinc/88/81/32/673888132.db2.gz SYJAJTRRPXTTGS-CHWSQXEVSA-N 1 0 341.408 -1.424 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001046665677 673887646 /nfs/dbraw/zinc/88/76/46/673887646.db2.gz SYJAJTRRPXTTGS-OLZOCXBDSA-N 1 0 341.408 -1.424 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001046665678 673888142 /nfs/dbraw/zinc/88/81/42/673888142.db2.gz SYJAJTRRPXTTGS-QWHCGFSZSA-N 1 0 341.408 -1.424 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 ZINC001046665679 673887801 /nfs/dbraw/zinc/88/78/01/673887801.db2.gz SYJAJTRRPXTTGS-STQMWFEESA-N 1 0 341.408 -1.424 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046665837 673888098 /nfs/dbraw/zinc/88/80/98/673888098.db2.gz VAJBDUSIUKZQQK-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046665838 673888121 /nfs/dbraw/zinc/88/81/21/673888121.db2.gz VAJBDUSIUKZQQK-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046665848 673887996 /nfs/dbraw/zinc/88/79/96/673887996.db2.gz VHJIUJYVBCNPEF-NEPJUHHUSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046665849 673887837 /nfs/dbraw/zinc/88/78/37/673887837.db2.gz VHJIUJYVBCNPEF-NWDGAFQWSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046665851 673887677 /nfs/dbraw/zinc/88/76/77/673887677.db2.gz VHJIUJYVBCNPEF-RYUDHWBXSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046665852 673887708 /nfs/dbraw/zinc/88/77/08/673887708.db2.gz VHJIUJYVBCNPEF-VXGBXAGGSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046665875 673887753 /nfs/dbraw/zinc/88/77/53/673887753.db2.gz VZYWVEMFXJDUNG-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046665876 673888150 /nfs/dbraw/zinc/88/81/50/673888150.db2.gz VZYWVEMFXJDUNG-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 ZINC001046665923 673887686 /nfs/dbraw/zinc/88/76/86/673887686.db2.gz WXSUPFWQHZQYAK-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 ZINC001046665924 673887843 /nfs/dbraw/zinc/88/78/43/673887843.db2.gz WXSUPFWQHZQYAK-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046666019 673887868 /nfs/dbraw/zinc/88/78/68/673887868.db2.gz YCJOSVURAJVMOY-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046666021 673887886 /nfs/dbraw/zinc/88/78/86/673887886.db2.gz YCJOSVURAJVMOY-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001046671220 673887858 /nfs/dbraw/zinc/88/78/58/673887858.db2.gz CYAGWJUFMIBQFB-LLVKDONJSA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001046671221 673887932 /nfs/dbraw/zinc/88/79/32/673887932.db2.gz CYAGWJUFMIBQFB-NSHDSACASA-N 1 0 341.412 -1.781 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046671247 673887985 /nfs/dbraw/zinc/88/79/85/673887985.db2.gz DPNCKFNILAPQIL-TUAOUCFPSA-N 1 0 338.408 -1.718 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046671248 673887969 /nfs/dbraw/zinc/88/79/69/673887969.db2.gz DPNCKFNILAPQIL-UTUOFQBUSA-N 1 0 338.408 -1.718 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 ZINC001046671257 673888017 /nfs/dbraw/zinc/88/80/17/673888017.db2.gz FAYUJUQKLXPDDQ-GFCCVEGCSA-N 1 0 340.424 -1.362 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 ZINC001046671258 673887780 /nfs/dbraw/zinc/88/77/80/673887780.db2.gz FAYUJUQKLXPDDQ-LBPRGKRZSA-N 1 0 340.424 -1.362 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046671263 673887727 /nfs/dbraw/zinc/88/77/27/673887727.db2.gz FDYCLWRPKUADJL-JTQLQIEISA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046671264 673888451 /nfs/dbraw/zinc/88/84/51/673888451.db2.gz FDYCLWRPKUADJL-SNVBAGLBSA-N 1 0 336.396 -1.099 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046671270 673888235 /nfs/dbraw/zinc/88/82/35/673888235.db2.gz FMZWINXNEKAYLB-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046671271 673888558 /nfs/dbraw/zinc/88/85/58/673888558.db2.gz FMZWINXNEKAYLB-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046671272 673888635 /nfs/dbraw/zinc/88/86/35/673888635.db2.gz FMZWINXNEKAYLB-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046671273 673888786 /nfs/dbraw/zinc/88/87/86/673888786.db2.gz FMZWINXNEKAYLB-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001046671562 673888685 /nfs/dbraw/zinc/88/86/85/673888685.db2.gz IJOOTSULFZKEFM-GHMZBOCLSA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046671563 673888660 /nfs/dbraw/zinc/88/86/60/673888660.db2.gz IJOOTSULFZKEFM-MNOVXSKESA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046671564 673888761 /nfs/dbraw/zinc/88/87/61/673888761.db2.gz IJOOTSULFZKEFM-QWRGUYRKSA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001046671565 673888520 /nfs/dbraw/zinc/88/85/20/673888520.db2.gz IJOOTSULFZKEFM-WDEREUQCSA-N 1 0 339.396 -2.158 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001046671673 673888768 /nfs/dbraw/zinc/88/87/68/673888768.db2.gz KHTBZJSNSJIXAD-LLVKDONJSA-N 1 0 349.391 -1.443 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001046671677 673888708 /nfs/dbraw/zinc/88/87/08/673888708.db2.gz KHTBZJSNSJIXAD-NSHDSACASA-N 1 0 349.391 -1.443 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001046671741 673888273 /nfs/dbraw/zinc/88/82/73/673888273.db2.gz LHPNRNMKCXIRCN-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001046671743 673888471 /nfs/dbraw/zinc/88/84/71/673888471.db2.gz LHPNRNMKCXIRCN-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001046671744 673888773 /nfs/dbraw/zinc/88/87/73/673888773.db2.gz LHPNRNMKCXIRCN-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001046671746 673888314 /nfs/dbraw/zinc/88/83/14/673888314.db2.gz LHPNRNMKCXIRCN-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046671750 673888362 /nfs/dbraw/zinc/88/83/62/673888362.db2.gz LKRYGIIZLXEYDN-CHWSQXEVSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046671752 673888755 /nfs/dbraw/zinc/88/87/55/673888755.db2.gz LKRYGIIZLXEYDN-OLZOCXBDSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046671753 673888496 /nfs/dbraw/zinc/88/84/96/673888496.db2.gz LKRYGIIZLXEYDN-QWHCGFSZSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046671755 673888478 /nfs/dbraw/zinc/88/84/78/673888478.db2.gz LKRYGIIZLXEYDN-STQMWFEESA-N 1 0 343.424 -1.178 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001046671795 673888220 /nfs/dbraw/zinc/88/82/20/673888220.db2.gz MGPFTJXZGVTZKG-GFCCVEGCSA-N 1 0 336.396 -1.548 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001046671797 673888567 /nfs/dbraw/zinc/88/85/67/673888567.db2.gz MGPFTJXZGVTZKG-LBPRGKRZSA-N 1 0 336.396 -1.548 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001046671913 673888806 /nfs/dbraw/zinc/88/88/06/673888806.db2.gz NESUEMQTFULGLN-GFCCVEGCSA-N 1 0 336.396 -1.548 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001046671914 673888324 /nfs/dbraw/zinc/88/83/24/673888324.db2.gz NESUEMQTFULGLN-LBPRGKRZSA-N 1 0 336.396 -1.548 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001046671944 673888349 /nfs/dbraw/zinc/88/83/49/673888349.db2.gz NTGASXGWROIGID-LLVKDONJSA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001046671946 673888332 /nfs/dbraw/zinc/88/83/32/673888332.db2.gz NTGASXGWROIGID-NSHDSACASA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046672153 673888379 /nfs/dbraw/zinc/88/83/79/673888379.db2.gz QENKHRFHGFQHEC-NEPJUHHUSA-N 1 0 338.408 -1.561 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046672155 673888624 /nfs/dbraw/zinc/88/86/24/673888624.db2.gz QENKHRFHGFQHEC-RYUDHWBXSA-N 1 0 338.408 -1.561 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001046672210 673888745 /nfs/dbraw/zinc/88/87/45/673888745.db2.gz QPPOICQCDYVESA-LLVKDONJSA-N 1 0 338.408 -1.574 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001046672211 673888245 /nfs/dbraw/zinc/88/82/45/673888245.db2.gz QPPOICQCDYVESA-NSHDSACASA-N 1 0 338.408 -1.574 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046672346 673888296 /nfs/dbraw/zinc/88/82/96/673888296.db2.gz RPAXLMGZJNYCON-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046672347 673888577 /nfs/dbraw/zinc/88/85/77/673888577.db2.gz RPAXLMGZJNYCON-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 ZINC001046672405 673888672 /nfs/dbraw/zinc/88/86/72/673888672.db2.gz UPFIDUCIRGZTHP-JTQLQIEISA-N 1 0 337.384 -2.003 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 ZINC001046672406 673888262 /nfs/dbraw/zinc/88/82/62/673888262.db2.gz UPFIDUCIRGZTHP-SNVBAGLBSA-N 1 0 337.384 -2.003 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001046672408 673888206 /nfs/dbraw/zinc/88/82/06/673888206.db2.gz UTUVAIVLPIDCQS-LLVKDONJSA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001046672410 673888462 /nfs/dbraw/zinc/88/84/62/673888462.db2.gz UTUVAIVLPIDCQS-NSHDSACASA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001046672420 673888507 /nfs/dbraw/zinc/88/85/07/673888507.db2.gz VIAFGSHIQBTRPM-LLVKDONJSA-N 1 0 337.384 -2.153 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001046672421 673888285 /nfs/dbraw/zinc/88/82/85/673888285.db2.gz VIAFGSHIQBTRPM-NSHDSACASA-N 1 0 337.384 -2.153 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001046672448 673888598 /nfs/dbraw/zinc/88/85/98/673888598.db2.gz VVJJPTORFGKAIR-LLVKDONJSA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001046672449 673888487 /nfs/dbraw/zinc/88/84/87/673888487.db2.gz VVJJPTORFGKAIR-NSHDSACASA-N 1 0 349.391 -1.030 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001046672570 673888424 /nfs/dbraw/zinc/88/84/24/673888424.db2.gz WRUVAXDCPTYHJF-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001046672571 673888736 /nfs/dbraw/zinc/88/87/36/673888736.db2.gz WRUVAXDCPTYHJF-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001046672626 673888436 /nfs/dbraw/zinc/88/84/36/673888436.db2.gz XLEDBJGXSORJDQ-LLVKDONJSA-N 1 0 336.396 -1.479 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001046672628 673888402 /nfs/dbraw/zinc/88/84/02/673888402.db2.gz XLEDBJGXSORJDQ-NSHDSACASA-N 1 0 336.396 -1.479 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001046672743 673888721 /nfs/dbraw/zinc/88/87/21/673888721.db2.gz YZVGUHOLYPEFOA-LLVKDONJSA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001046672744 673888798 /nfs/dbraw/zinc/88/87/98/673888798.db2.gz YZVGUHOLYPEFOA-NSHDSACASA-N 1 0 336.396 -1.398 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001046676018 673888533 /nfs/dbraw/zinc/88/85/33/673888533.db2.gz AOAKRLDESHKZSE-GHMZBOCLSA-N 1 0 339.396 -2.301 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001046676020 673888546 /nfs/dbraw/zinc/88/85/46/673888546.db2.gz AOAKRLDESHKZSE-MNOVXSKESA-N 1 0 339.396 -2.301 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001046676022 673888611 /nfs/dbraw/zinc/88/86/11/673888611.db2.gz AOAKRLDESHKZSE-QWRGUYRKSA-N 1 0 339.396 -2.301 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001046676026 673888779 /nfs/dbraw/zinc/88/87/79/673888779.db2.gz AOAKRLDESHKZSE-WDEREUQCSA-N 1 0 339.396 -2.301 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001046676028 673888649 /nfs/dbraw/zinc/88/86/49/673888649.db2.gz AOAPXPCVZKQVTE-CHWSQXEVSA-N 1 0 341.408 -1.567 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001046676030 673888189 /nfs/dbraw/zinc/88/81/89/673888189.db2.gz AOAPXPCVZKQVTE-OLZOCXBDSA-N 1 0 341.408 -1.567 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001046676032 673888392 /nfs/dbraw/zinc/88/83/92/673888392.db2.gz AOAPXPCVZKQVTE-QWHCGFSZSA-N 1 0 341.408 -1.567 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001046676034 673888588 /nfs/dbraw/zinc/88/85/88/673888588.db2.gz AOAPXPCVZKQVTE-STQMWFEESA-N 1 0 341.408 -1.567 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3nccnc3N)C2)C1 ZINC001046676043 673889391 /nfs/dbraw/zinc/88/93/91/673889391.db2.gz APNVRLBSNCPSNY-LLVKDONJSA-N 1 0 348.407 -1.296 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3nccnc3N)C2)C1 ZINC001046676046 673888890 /nfs/dbraw/zinc/88/88/90/673888890.db2.gz APNVRLBSNCPSNY-NSHDSACASA-N 1 0 348.407 -1.296 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046676076 673889254 /nfs/dbraw/zinc/88/92/54/673889254.db2.gz AZDPXCZMTCNKRG-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046676078 673889184 /nfs/dbraw/zinc/88/91/84/673889184.db2.gz AZDPXCZMTCNKRG-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001046676121 673889425 /nfs/dbraw/zinc/88/94/25/673889425.db2.gz BXQWVZCTSMRZKP-LLVKDONJSA-N 1 0 347.437 -1.938 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001046676123 673889354 /nfs/dbraw/zinc/88/93/54/673889354.db2.gz BXQWVZCTSMRZKP-NSHDSACASA-N 1 0 347.437 -1.938 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3ncn(C)n3)C2)C1 ZINC001046676133 673889333 /nfs/dbraw/zinc/88/93/33/673889333.db2.gz CDZFRBMQKCRVEA-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3ncn(C)n3)C2)C1 ZINC001046676135 673889268 /nfs/dbraw/zinc/88/92/68/673889268.db2.gz CDZFRBMQKCRVEA-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3cnn(C)n3)C2)C1 ZINC001046676520 673889466 /nfs/dbraw/zinc/88/94/66/673889466.db2.gz IYEMPBZPAAVNRR-LLVKDONJSA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3cnn(C)n3)C2)C1 ZINC001046676521 673889131 /nfs/dbraw/zinc/88/91/31/673889131.db2.gz IYEMPBZPAAVNRR-NSHDSACASA-N 1 0 336.396 -1.540 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001046676647 673888933 /nfs/dbraw/zinc/88/89/33/673888933.db2.gz JSMCTFXKCYBEKX-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001046676648 673889146 /nfs/dbraw/zinc/88/91/46/673889146.db2.gz JSMCTFXKCYBEKX-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)C3=COCCO3)C2)C1 ZINC001046676697 673889023 /nfs/dbraw/zinc/88/90/23/673889023.db2.gz KPCRQCYQVPCDBC-GFCCVEGCSA-N 1 0 339.392 -1.094 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)C3=COCCO3)C2)C1 ZINC001046676699 673888917 /nfs/dbraw/zinc/88/89/17/673888917.db2.gz KPCRQCYQVPCDBC-LBPRGKRZSA-N 1 0 339.392 -1.094 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046676773 673889364 /nfs/dbraw/zinc/88/93/64/673889364.db2.gz LMEHYROJOLPFAN-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046676774 673889324 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EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046676822 673889404 /nfs/dbraw/zinc/88/94/04/673889404.db2.gz MMESAIVOVJVTID-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cn3cnnn3)C2)C1 ZINC001046676849 673889415 /nfs/dbraw/zinc/88/94/15/673889415.db2.gz MWUZRZWWLCAIAB-LLVKDONJSA-N 1 0 337.384 -2.296 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cn3cnnn3)C2)C1 ZINC001046676850 673889409 /nfs/dbraw/zinc/88/94/09/673889409.db2.gz MWUZRZWWLCAIAB-NSHDSACASA-N 1 0 337.384 -2.296 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001046676865 673889228 /nfs/dbraw/zinc/88/92/28/673889228.db2.gz NCPHFYGCNHOOQQ-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001046676866 673889080 /nfs/dbraw/zinc/88/90/80/673889080.db2.gz NCPHFYGCNHOOQQ-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 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348.407 -1.440 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 ZINC001046684647 673890582 /nfs/dbraw/zinc/89/05/82/673890582.db2.gz KRLUUUCEWUUFLR-MNOVXSKESA-N 1 0 348.407 -1.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 ZINC001046684648 673890638 /nfs/dbraw/zinc/89/06/38/673890638.db2.gz KRLUUUCEWUUFLR-QWRGUYRKSA-N 1 0 348.407 -1.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 ZINC001046684649 673890406 /nfs/dbraw/zinc/89/04/06/673890406.db2.gz KRLUUUCEWUUFLR-WDEREUQCSA-N 1 0 348.407 -1.440 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001046684663 673891029 /nfs/dbraw/zinc/89/10/29/673891029.db2.gz KYOHMJDKEYKYAL-GHMZBOCLSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001046684664 673891071 /nfs/dbraw/zinc/89/10/71/673891071.db2.gz KYOHMJDKEYKYAL-MNOVXSKESA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001046684665 673891103 /nfs/dbraw/zinc/89/11/03/673891103.db2.gz KYOHMJDKEYKYAL-QWRGUYRKSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001046684666 673891077 /nfs/dbraw/zinc/89/10/77/673891077.db2.gz KYOHMJDKEYKYAL-WDEREUQCSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001046684706 673890986 /nfs/dbraw/zinc/89/09/86/673890986.db2.gz LLNSVUZLIQKXTH-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001046684707 673891090 /nfs/dbraw/zinc/89/10/90/673891090.db2.gz LLNSVUZLIQKXTH-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046684756 673891061 /nfs/dbraw/zinc/89/10/61/673891061.db2.gz MAIPWHMIGTUQBM-GHMZBOCLSA-N 1 0 326.397 -1.990 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046684758 673891151 /nfs/dbraw/zinc/89/11/51/673891151.db2.gz MAIPWHMIGTUQBM-MNOVXSKESA-N 1 0 326.397 -1.990 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046684760 673891067 /nfs/dbraw/zinc/89/10/67/673891067.db2.gz MAIPWHMIGTUQBM-QWRGUYRKSA-N 1 0 326.397 -1.990 20 0 EAADRO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046684761 673891213 /nfs/dbraw/zinc/89/12/13/673891213.db2.gz MAIPWHMIGTUQBM-WDEREUQCSA-N 1 0 326.397 -1.990 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 ZINC001046684789 673890804 /nfs/dbraw/zinc/89/08/04/673890804.db2.gz MGCJXVPWDXWGQL-NEPJUHHUSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 ZINC001046684790 673891111 /nfs/dbraw/zinc/89/11/11/673891111.db2.gz MGCJXVPWDXWGQL-NWDGAFQWSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 ZINC001046684791 673890978 /nfs/dbraw/zinc/89/09/78/673890978.db2.gz MGCJXVPWDXWGQL-RYUDHWBXSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 ZINC001046684792 673890809 /nfs/dbraw/zinc/89/08/09/673890809.db2.gz MGCJXVPWDXWGQL-VXGBXAGGSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001046684806 673890851 /nfs/dbraw/zinc/89/08/51/673890851.db2.gz MHQFARRMDXWRRB-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001046684808 673891196 /nfs/dbraw/zinc/89/11/96/673891196.db2.gz MHQFARRMDXWRRB-MNOVXSKESA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001046684809 673891100 /nfs/dbraw/zinc/89/11/00/673891100.db2.gz MHQFARRMDXWRRB-QWRGUYRKSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001046684811 673890959 /nfs/dbraw/zinc/89/09/59/673890959.db2.gz MHQFARRMDXWRRB-WDEREUQCSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 ZINC001046684928 673891249 /nfs/dbraw/zinc/89/12/49/673891249.db2.gz NFIYBSYRNGRCLQ-GXTWGEPZSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 ZINC001046684929 673891141 /nfs/dbraw/zinc/89/11/41/673891141.db2.gz NFIYBSYRNGRCLQ-JSGCOSHPSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 ZINC001046684930 673890800 /nfs/dbraw/zinc/89/08/00/673890800.db2.gz NFIYBSYRNGRCLQ-OCCSQVGLSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 ZINC001046684931 673891205 /nfs/dbraw/zinc/89/12/05/673891205.db2.gz NFIYBSYRNGRCLQ-TZMCWYRMSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)C1 ZINC001046684965 673890900 /nfs/dbraw/zinc/89/09/00/673890900.db2.gz NTSFUBGMQXFHBK-CYBMUJFWSA-N 1 0 335.408 -1.086 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)C1 ZINC001046684966 673891082 /nfs/dbraw/zinc/89/10/82/673891082.db2.gz NTSFUBGMQXFHBK-ZDUSSCGKSA-N 1 0 335.408 -1.086 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001046684971 673891160 /nfs/dbraw/zinc/89/11/60/673891160.db2.gz NUACIJJZEDGQMR-LLVKDONJSA-N 1 0 349.391 -1.173 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC001046684972 673890859 /nfs/dbraw/zinc/89/08/59/673890859.db2.gz NUACIJJZEDGQMR-NSHDSACASA-N 1 0 349.391 -1.173 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001046685071 673890791 /nfs/dbraw/zinc/89/07/91/673890791.db2.gz ONSLRFNCAUBWCY-LLVKDONJSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001046685072 673890871 /nfs/dbraw/zinc/89/08/71/673890871.db2.gz ONSLRFNCAUBWCY-NSHDSACASA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001046685079 673890934 /nfs/dbraw/zinc/89/09/34/673890934.db2.gz OPDCGTLSURAFNU-GXTWGEPZSA-N 1 0 348.403 -1.179 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001046685082 673890841 /nfs/dbraw/zinc/89/08/41/673890841.db2.gz OPDCGTLSURAFNU-JSGCOSHPSA-N 1 0 348.403 -1.179 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001046685083 673890778 /nfs/dbraw/zinc/89/07/78/673890778.db2.gz OPDCGTLSURAFNU-OCCSQVGLSA-N 1 0 348.403 -1.179 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001046685084 673890891 /nfs/dbraw/zinc/89/08/91/673890891.db2.gz OPDCGTLSURAFNU-TZMCWYRMSA-N 1 0 348.403 -1.179 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001046685133 673890942 /nfs/dbraw/zinc/89/09/42/673890942.db2.gz PCWXGEZVUHECNT-NXEZZACHSA-N 1 0 327.385 -2.458 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001046685137 673890786 /nfs/dbraw/zinc/89/07/86/673890786.db2.gz PCWXGEZVUHECNT-UWVGGRQHSA-N 1 0 327.385 -2.458 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001046685138 673891226 /nfs/dbraw/zinc/89/12/26/673891226.db2.gz PCWXGEZVUHECNT-VHSXEESVSA-N 1 0 327.385 -2.458 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001046685139 673890821 /nfs/dbraw/zinc/89/08/21/673890821.db2.gz PCWXGEZVUHECNT-ZJUUUORDSA-N 1 0 327.385 -2.458 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046685142 673891127 /nfs/dbraw/zinc/89/11/27/673891127.db2.gz PFORDBVTNHVETK-GHMZBOCLSA-N 1 0 342.396 -1.770 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046685144 673891132 /nfs/dbraw/zinc/89/11/32/673891132.db2.gz PFORDBVTNHVETK-MNOVXSKESA-N 1 0 342.396 -1.770 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046685146 673891039 /nfs/dbraw/zinc/89/10/39/673891039.db2.gz PFORDBVTNHVETK-QWRGUYRKSA-N 1 0 342.396 -1.770 20 0 EAADRO COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046685147 673891186 /nfs/dbraw/zinc/89/11/86/673891186.db2.gz PFORDBVTNHVETK-WDEREUQCSA-N 1 0 342.396 -1.770 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001046685159 673890970 /nfs/dbraw/zinc/89/09/70/673890970.db2.gz PQECYVBNIYOBGI-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001046685161 673891220 /nfs/dbraw/zinc/89/12/20/673891220.db2.gz PQECYVBNIYOBGI-MNOVXSKESA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001046685162 673891255 /nfs/dbraw/zinc/89/12/55/673891255.db2.gz PQECYVBNIYOBGI-QWRGUYRKSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001046685163 673891046 /nfs/dbraw/zinc/89/10/46/673891046.db2.gz PQECYVBNIYOBGI-WDEREUQCSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CCCC(N)=O)C2)C1 ZINC001046685178 673891018 /nfs/dbraw/zinc/89/10/18/673891018.db2.gz PUBAUEPDNGVRMH-GFCCVEGCSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CCCC(N)=O)C2)C1 ZINC001046685180 673891106 /nfs/dbraw/zinc/89/11/06/673891106.db2.gz PUBAUEPDNGVRMH-LBPRGKRZSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001046685181 673891177 /nfs/dbraw/zinc/89/11/77/673891177.db2.gz PUEVCRJAJHYYRS-GHMZBOCLSA-N 1 0 349.391 -1.729 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001046685184 673891122 /nfs/dbraw/zinc/89/11/22/673891122.db2.gz PUEVCRJAJHYYRS-MNOVXSKESA-N 1 0 349.391 -1.729 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001046685186 673890827 /nfs/dbraw/zinc/89/08/27/673890827.db2.gz PUEVCRJAJHYYRS-QWRGUYRKSA-N 1 0 349.391 -1.729 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001046685187 673891053 /nfs/dbraw/zinc/89/10/53/673891053.db2.gz PUEVCRJAJHYYRS-WDEREUQCSA-N 1 0 349.391 -1.729 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001046685191 673891116 /nfs/dbraw/zinc/89/11/16/673891116.db2.gz QBENZIOLYZFSKY-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001046685193 673890834 /nfs/dbraw/zinc/89/08/34/673890834.db2.gz QBENZIOLYZFSKY-MNOVXSKESA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001046685194 673890815 /nfs/dbraw/zinc/89/08/15/673890815.db2.gz QBENZIOLYZFSKY-QWRGUYRKSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001046685195 673891237 /nfs/dbraw/zinc/89/12/37/673891237.db2.gz QBENZIOLYZFSKY-WDEREUQCSA-N 1 0 336.396 -1.684 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 ZINC001046685202 673890926 /nfs/dbraw/zinc/89/09/26/673890926.db2.gz QDBNFXHZKATCEF-GXTWGEPZSA-N 1 0 347.419 -1.094 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 ZINC001046685203 673890884 /nfs/dbraw/zinc/89/08/84/673890884.db2.gz QDBNFXHZKATCEF-JSGCOSHPSA-N 1 0 347.419 -1.094 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 ZINC001046685204 673891010 /nfs/dbraw/zinc/89/10/10/673891010.db2.gz QDBNFXHZKATCEF-OCCSQVGLSA-N 1 0 347.419 -1.094 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 ZINC001046685205 673890952 /nfs/dbraw/zinc/89/09/52/673890952.db2.gz QDBNFXHZKATCEF-TZMCWYRMSA-N 1 0 347.419 -1.094 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001046685402 673891794 /nfs/dbraw/zinc/89/17/94/673891794.db2.gz SLVUTHQPZLVMGE-CXTNEJHOSA-N 1 0 337.420 -1.090 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001046685403 673891690 /nfs/dbraw/zinc/89/16/90/673891690.db2.gz SLVUTHQPZLVMGE-RMRHIDDWSA-N 1 0 337.420 -1.090 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001046685440 673891543 /nfs/dbraw/zinc/89/15/43/673891543.db2.gz SXSYONVAGRMGFA-CHWSQXEVSA-N 1 0 335.408 -1.230 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001046685443 673891674 /nfs/dbraw/zinc/89/16/74/673891674.db2.gz SXSYONVAGRMGFA-OLZOCXBDSA-N 1 0 335.408 -1.230 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001046685444 673891778 /nfs/dbraw/zinc/89/17/78/673891778.db2.gz SXSYONVAGRMGFA-QWHCGFSZSA-N 1 0 335.408 -1.230 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001046685446 673891822 /nfs/dbraw/zinc/89/18/22/673891822.db2.gz SXSYONVAGRMGFA-STQMWFEESA-N 1 0 335.408 -1.230 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001046685725 673891524 /nfs/dbraw/zinc/89/15/24/673891524.db2.gz WGIRWTRFIRUCDE-GHMZBOCLSA-N 1 0 347.437 -2.082 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001046685726 673891590 /nfs/dbraw/zinc/89/15/90/673891590.db2.gz WGIRWTRFIRUCDE-MNOVXSKESA-N 1 0 347.437 -2.082 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001046685727 673891559 /nfs/dbraw/zinc/89/15/59/673891559.db2.gz WGIRWTRFIRUCDE-QWRGUYRKSA-N 1 0 347.437 -2.082 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 ZINC001046685728 673891335 /nfs/dbraw/zinc/89/13/35/673891335.db2.gz WGIRWTRFIRUCDE-WDEREUQCSA-N 1 0 347.437 -2.082 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001046685876 673891683 /nfs/dbraw/zinc/89/16/83/673891683.db2.gz WZBTVNIHQANFJT-NEPJUHHUSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001046685877 673891396 /nfs/dbraw/zinc/89/13/96/673891396.db2.gz WZBTVNIHQANFJT-NWDGAFQWSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001046685878 673891760 /nfs/dbraw/zinc/89/17/60/673891760.db2.gz WZBTVNIHQANFJT-RYUDHWBXSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001046685879 673891756 /nfs/dbraw/zinc/89/17/56/673891756.db2.gz WZBTVNIHQANFJT-VXGBXAGGSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CCNC(N)=O)C2)C1 ZINC001046685911 673891579 /nfs/dbraw/zinc/89/15/79/673891579.db2.gz XSFTWBFHGWDNKP-LLVKDONJSA-N 1 0 341.412 -1.924 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CCNC(N)=O)C2)C1 ZINC001046685912 673891465 /nfs/dbraw/zinc/89/14/65/673891465.db2.gz XSFTWBFHGWDNKP-NSHDSACASA-N 1 0 341.412 -1.924 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 ZINC001046685921 673891839 /nfs/dbraw/zinc/89/18/39/673891839.db2.gz XTBIJLHRFGLGPK-GXTWGEPZSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 ZINC001046685922 673891612 /nfs/dbraw/zinc/89/16/12/673891612.db2.gz XTBIJLHRFGLGPK-JSGCOSHPSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 ZINC001046685923 673891459 /nfs/dbraw/zinc/89/14/59/673891459.db2.gz XTBIJLHRFGLGPK-OCCSQVGLSA-N 1 0 349.435 -1.150 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 ZINC001046685924 673891814 /nfs/dbraw/zinc/89/18/14/673891814.db2.gz XTBIJLHRFGLGPK-TZMCWYRMSA-N 1 0 349.435 -1.150 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046685931 673891406 /nfs/dbraw/zinc/89/14/06/673891406.db2.gz XWFTVPHJSIDHKM-CMPLNLGQSA-N 1 0 326.397 -1.990 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046685932 673891568 /nfs/dbraw/zinc/89/15/68/673891568.db2.gz XWFTVPHJSIDHKM-JQWIXIFHSA-N 1 0 326.397 -1.990 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046685933 673891701 /nfs/dbraw/zinc/89/17/01/673891701.db2.gz XWFTVPHJSIDHKM-PWSUYJOCSA-N 1 0 326.397 -1.990 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046685934 673891630 /nfs/dbraw/zinc/89/16/30/673891630.db2.gz XWFTVPHJSIDHKM-ZYHUDNBSSA-N 1 0 326.397 -1.990 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046686064 673891440 /nfs/dbraw/zinc/89/14/40/673891440.db2.gz YLFBLWDCQVPUTM-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046686065 673891643 /nfs/dbraw/zinc/89/16/43/673891643.db2.gz YLFBLWDCQVPUTM-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046686066 673891549 /nfs/dbraw/zinc/89/15/49/673891549.db2.gz YLFBLWDCQVPUTM-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046686067 673891847 /nfs/dbraw/zinc/89/18/47/673891847.db2.gz YLFBLWDCQVPUTM-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CC(=O)N(C)C)C2)C1 ZINC001046686124 673891659 /nfs/dbraw/zinc/89/16/59/673891659.db2.gz ZQHJNCLJBRMXTG-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CC(=O)N(C)C)C2)C1 ZINC001046686125 673891515 /nfs/dbraw/zinc/89/15/15/673891515.db2.gz ZQHJNCLJBRMXTG-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001046690166 673891451 /nfs/dbraw/zinc/89/14/51/673891451.db2.gz ARLCQUIYPMRDIQ-GHMZBOCLSA-N 1 0 337.384 -2.440 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001046690167 673891785 /nfs/dbraw/zinc/89/17/85/673891785.db2.gz ARLCQUIYPMRDIQ-MNOVXSKESA-N 1 0 337.384 -2.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001046690168 673891742 /nfs/dbraw/zinc/89/17/42/673891742.db2.gz ARLCQUIYPMRDIQ-QWRGUYRKSA-N 1 0 337.384 -2.440 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001046690169 673891401 /nfs/dbraw/zinc/89/14/01/673891401.db2.gz ARLCQUIYPMRDIQ-WDEREUQCSA-N 1 0 337.384 -2.440 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 ZINC001046690171 673891747 /nfs/dbraw/zinc/89/17/47/673891747.db2.gz ASUCAGFIPRNELA-NXEZZACHSA-N 1 0 337.384 -2.289 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 ZINC001046690172 673891831 /nfs/dbraw/zinc/89/18/31/673891831.db2.gz ASUCAGFIPRNELA-UWVGGRQHSA-N 1 0 337.384 -2.289 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 ZINC001046690173 673891382 /nfs/dbraw/zinc/89/13/82/673891382.db2.gz ASUCAGFIPRNELA-VHSXEESVSA-N 1 0 337.384 -2.289 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 ZINC001046690174 673891731 /nfs/dbraw/zinc/89/17/31/673891731.db2.gz ASUCAGFIPRNELA-ZJUUUORDSA-N 1 0 337.384 -2.289 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001046690304 673891710 /nfs/dbraw/zinc/89/17/10/673891710.db2.gz BMRAUEOSLOPKJR-NEPJUHHUSA-N 1 0 336.396 -1.835 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001046690306 673892204 /nfs/dbraw/zinc/89/22/04/673892204.db2.gz BMRAUEOSLOPKJR-NWDGAFQWSA-N 1 0 336.396 -1.835 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001046690308 673892251 /nfs/dbraw/zinc/89/22/51/673892251.db2.gz BMRAUEOSLOPKJR-RYUDHWBXSA-N 1 0 336.396 -1.835 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001046690310 673892060 /nfs/dbraw/zinc/89/20/60/673892060.db2.gz BMRAUEOSLOPKJR-VXGBXAGGSA-N 1 0 336.396 -1.835 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001046690673 673892406 /nfs/dbraw/zinc/89/24/06/673892406.db2.gz CPVJPSVDSAMJMB-CMPLNLGQSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001046690675 673892156 /nfs/dbraw/zinc/89/21/56/673892156.db2.gz CPVJPSVDSAMJMB-JQWIXIFHSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001046690678 673892302 /nfs/dbraw/zinc/89/23/02/673892302.db2.gz CPVJPSVDSAMJMB-PWSUYJOCSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001046690680 673892106 /nfs/dbraw/zinc/89/21/06/673892106.db2.gz CPVJPSVDSAMJMB-ZYHUDNBSSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001046690707 673892380 /nfs/dbraw/zinc/89/23/80/673892380.db2.gz DBDNFSXGMIEEJB-AAEUAGOBSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001046690709 673892425 /nfs/dbraw/zinc/89/24/25/673892425.db2.gz DBDNFSXGMIEEJB-DGCLKSJQSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001046690711 673892163 /nfs/dbraw/zinc/89/21/63/673892163.db2.gz DBDNFSXGMIEEJB-WCQYABFASA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001046690714 673892065 /nfs/dbraw/zinc/89/20/65/673892065.db2.gz DBDNFSXGMIEEJB-YPMHNXCESA-N 1 0 335.408 -1.161 20 0 EAADRO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001046691179 673892258 /nfs/dbraw/zinc/89/22/58/673892258.db2.gz HIQUWUHVPXLBQM-UHFFFAOYSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046691224 673892037 /nfs/dbraw/zinc/89/20/37/673892037.db2.gz HXFHBEPAALGYCP-GHMZBOCLSA-N 1 0 341.412 -2.197 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046691225 673892455 /nfs/dbraw/zinc/89/24/55/673892455.db2.gz HXFHBEPAALGYCP-MNOVXSKESA-N 1 0 341.412 -2.197 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046691226 673891964 /nfs/dbraw/zinc/89/19/64/673891964.db2.gz HXFHBEPAALGYCP-QWRGUYRKSA-N 1 0 341.412 -2.197 20 0 EAADRO CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046691227 673892284 /nfs/dbraw/zinc/89/22/84/673892284.db2.gz HXFHBEPAALGYCP-WDEREUQCSA-N 1 0 341.412 -2.197 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001046691709 673892326 /nfs/dbraw/zinc/89/23/26/673892326.db2.gz KOJGFBAILVCJMG-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001046691710 673892092 /nfs/dbraw/zinc/89/20/92/673892092.db2.gz KOJGFBAILVCJMG-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001046691711 673892217 /nfs/dbraw/zinc/89/22/17/673892217.db2.gz KOJGFBAILVCJMG-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 ZINC001046691712 673892210 /nfs/dbraw/zinc/89/22/10/673892210.db2.gz KOJGFBAILVCJMG-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001046691714 673892413 /nfs/dbraw/zinc/89/24/13/673892413.db2.gz KPYIOTCZSOTAGA-GHMZBOCLSA-N 1 0 341.412 -2.068 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001046691715 673891974 /nfs/dbraw/zinc/89/19/74/673891974.db2.gz KPYIOTCZSOTAGA-MNOVXSKESA-N 1 0 341.412 -2.068 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001046691716 673891936 /nfs/dbraw/zinc/89/19/36/673891936.db2.gz KPYIOTCZSOTAGA-QWRGUYRKSA-N 1 0 341.412 -2.068 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 ZINC001046691717 673892102 /nfs/dbraw/zinc/89/21/02/673892102.db2.gz KPYIOTCZSOTAGA-WDEREUQCSA-N 1 0 341.412 -2.068 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 ZINC001046691766 673892337 /nfs/dbraw/zinc/89/23/37/673892337.db2.gz MAPRGMIDXHTUPY-NEPJUHHUSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 ZINC001046691768 673891945 /nfs/dbraw/zinc/89/19/45/673891945.db2.gz MAPRGMIDXHTUPY-NWDGAFQWSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 ZINC001046691770 673891991 /nfs/dbraw/zinc/89/19/91/673891991.db2.gz MAPRGMIDXHTUPY-RYUDHWBXSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 ZINC001046691772 673892293 /nfs/dbraw/zinc/89/22/93/673892293.db2.gz MAPRGMIDXHTUPY-VXGBXAGGSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001046691778 673892191 /nfs/dbraw/zinc/89/21/91/673892191.db2.gz MFNZWMYJSDUTSL-GHMZBOCLSA-N 1 0 340.424 -1.615 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001046691785 673892345 /nfs/dbraw/zinc/89/23/45/673892345.db2.gz MFNZWMYJSDUTSL-MNOVXSKESA-N 1 0 340.424 -1.615 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001046691787 673892309 /nfs/dbraw/zinc/89/23/09/673892309.db2.gz MFNZWMYJSDUTSL-QWRGUYRKSA-N 1 0 340.424 -1.615 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 ZINC001046691789 673892112 /nfs/dbraw/zinc/89/21/12/673892112.db2.gz MFNZWMYJSDUTSL-WDEREUQCSA-N 1 0 340.424 -1.615 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046691819 673892446 /nfs/dbraw/zinc/89/24/46/673892446.db2.gz MLLOLKIUOLKWNR-GXSJLCMTSA-N 1 0 336.396 -1.386 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046691821 673892354 /nfs/dbraw/zinc/89/23/54/673892354.db2.gz MLLOLKIUOLKWNR-KOLCDFICSA-N 1 0 336.396 -1.386 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046691823 673892000 /nfs/dbraw/zinc/89/20/00/673892000.db2.gz MLLOLKIUOLKWNR-MWLCHTKSSA-N 1 0 336.396 -1.386 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046691826 673892133 /nfs/dbraw/zinc/89/21/33/673892133.db2.gz MLLOLKIUOLKWNR-ONGXEEELSA-N 1 0 336.396 -1.386 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 ZINC001046691834 673892237 /nfs/dbraw/zinc/89/22/37/673892237.db2.gz MLYUWYHQSCPMNR-NEPJUHHUSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 ZINC001046691837 673892183 /nfs/dbraw/zinc/89/21/83/673892183.db2.gz MLYUWYHQSCPMNR-NWDGAFQWSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 ZINC001046691839 673892321 /nfs/dbraw/zinc/89/23/21/673892321.db2.gz MLYUWYHQSCPMNR-RYUDHWBXSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 ZINC001046691841 673892270 /nfs/dbraw/zinc/89/22/70/673892270.db2.gz MLYUWYHQSCPMNR-VXGBXAGGSA-N 1 0 335.408 -1.079 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001046692005 673892653 /nfs/dbraw/zinc/89/26/53/673892653.db2.gz NGXIPHOCSDJIPL-CMPLNLGQSA-N 1 0 349.391 -1.317 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnc[nH]c2=O)C1 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C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046737762 673897359 /nfs/dbraw/zinc/89/73/59/673897359.db2.gz WRPCZNRMUOKWHF-GFCCVEGCSA-N 1 0 349.391 -1.489 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046737766 673897288 /nfs/dbraw/zinc/89/72/88/673897288.db2.gz WRPCZNRMUOKWHF-LBPRGKRZSA-N 1 0 349.391 -1.489 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046737885 673897319 /nfs/dbraw/zinc/89/73/19/673897319.db2.gz YZWGKFBOSKKGNV-UHFFFAOYSA-N 1 0 337.380 -1.632 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC001046744130 673897627 /nfs/dbraw/zinc/89/76/27/673897627.db2.gz JWMXGIQTFDFIJP-JTQLQIEISA-N 1 0 349.391 -1.632 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC001046744132 673897774 /nfs/dbraw/zinc/89/77/74/673897774.db2.gz JWMXGIQTFDFIJP-SNVBAGLBSA-N 1 0 349.391 -1.632 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)[nH]1 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335.408 -1.167 20 0 EAADRO Cc1ccn(CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001046773988 673899320 /nfs/dbraw/zinc/89/93/20/673899320.db2.gz GXBHYLZDOJLVTF-ZDUSSCGKSA-N 1 0 335.408 -1.167 20 0 EAADRO Cc1ccn(CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001046774393 673899202 /nfs/dbraw/zinc/89/92/02/673899202.db2.gz KAYZPIVEOZLSMY-UHFFFAOYSA-N 1 0 335.408 -1.023 20 0 EAADRO C[C@H](COCC(=O)NCC1(O)CN(C(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001046777843 673899605 /nfs/dbraw/zinc/89/96/05/673899605.db2.gz SWKVSYNCYBBOFL-LLVKDONJSA-N 1 0 342.396 -2.338 20 0 EAADRO C[C@@H](COCC(=O)NCC1(O)CN(C(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001046777844 673899712 /nfs/dbraw/zinc/89/97/12/673899712.db2.gz SWKVSYNCYBBOFL-NSHDSACASA-N 1 0 342.396 -2.338 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001046778300 673899945 /nfs/dbraw/zinc/89/99/45/673899945.db2.gz ZSLIHEYVIGGXMW-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO COCC(=O)N1CC(O)(CNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001046778302 673899951 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EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001046871182 673906764 /nfs/dbraw/zinc/90/67/64/673906764.db2.gz ORFWEDRFCNUKCO-GFCCVEGCSA-N 1 0 336.396 -1.548 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001046871183 673906872 /nfs/dbraw/zinc/90/68/72/673906872.db2.gz ORFWEDRFCNUKCO-LBPRGKRZSA-N 1 0 336.396 -1.548 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1)C1CC1 ZINC001046871507 673907088 /nfs/dbraw/zinc/90/70/88/673907088.db2.gz TVOKSVPJESFUTE-CYBMUJFWSA-N 1 0 336.396 -1.692 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1)C1CC1 ZINC001046871509 673907123 /nfs/dbraw/zinc/90/71/23/673907123.db2.gz TVOKSVPJESFUTE-ZDUSSCGKSA-N 1 0 336.396 -1.692 20 0 EAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1)C1CCC1 ZINC001046876075 673907471 /nfs/dbraw/zinc/90/74/71/673907471.db2.gz TZQHSKGNPMYZKE-UHFFFAOYSA-N 1 0 336.396 -1.548 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001046881605 673908221 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ZINC001046892037 673909102 /nfs/dbraw/zinc/90/91/02/673909102.db2.gz KTIBUCUSKTXCKP-BLLLJJGKSA-N 1 0 338.408 -1.438 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)CN2CCOCC2=O)C1 ZINC001046892038 673908983 /nfs/dbraw/zinc/90/89/83/673908983.db2.gz KTIBUCUSKTXCKP-LRDDRELGSA-N 1 0 338.408 -1.438 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)CN2CCOCC2=O)C1 ZINC001046892039 673908956 /nfs/dbraw/zinc/90/89/56/673908956.db2.gz KTIBUCUSKTXCKP-MLGOLLRUSA-N 1 0 338.408 -1.438 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)CN2CCOCC2=O)C1 ZINC001046892040 673909096 /nfs/dbraw/zinc/90/90/96/673909096.db2.gz KTIBUCUSKTXCKP-WBMJQRKESA-N 1 0 338.408 -1.438 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2nccn2)C1 ZINC001046892735 673909137 /nfs/dbraw/zinc/90/91/37/673909137.db2.gz OBCDIUIFAZSCFQ-ABAIWWIYSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2nccn2)C1 ZINC001046892736 673909115 /nfs/dbraw/zinc/90/91/15/673909115.db2.gz OBCDIUIFAZSCFQ-IAQYHMDHSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2nccn2)C1 ZINC001046892737 673908961 /nfs/dbraw/zinc/90/89/61/673908961.db2.gz OBCDIUIFAZSCFQ-NHYWBVRUSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2nccn2)C1 ZINC001046892738 673909016 /nfs/dbraw/zinc/90/90/16/673909016.db2.gz OBCDIUIFAZSCFQ-XHDPSFHLSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001046893288 673909052 /nfs/dbraw/zinc/90/90/52/673909052.db2.gz PZVRIDWCUKOECP-BXUZGUMPSA-N 1 0 329.422 -1.252 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001046893289 673909050 /nfs/dbraw/zinc/90/90/50/673909050.db2.gz PZVRIDWCUKOECP-FZMZJTMJSA-N 1 0 329.422 -1.252 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001046893290 673908986 /nfs/dbraw/zinc/90/89/86/673908986.db2.gz PZVRIDWCUKOECP-RISCZKNCSA-N 1 0 329.422 -1.252 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001046893291 673909057 /nfs/dbraw/zinc/90/90/57/673909057.db2.gz PZVRIDWCUKOECP-SMDDNHRTSA-N 1 0 329.422 -1.252 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001046894245 673909055 /nfs/dbraw/zinc/90/90/55/673909055.db2.gz TXHBDXCXAFNWRI-BMIGLBTASA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001046894246 673908998 /nfs/dbraw/zinc/90/89/98/673908998.db2.gz TXHBDXCXAFNWRI-BONVTDFDSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001046894247 673909079 /nfs/dbraw/zinc/90/90/79/673909079.db2.gz TXHBDXCXAFNWRI-MEBBXXQBSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001046894248 673909060 /nfs/dbraw/zinc/90/90/60/673909060.db2.gz TXHBDXCXAFNWRI-ZUZCIYMTSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2ncnn2)C1 ZINC001046895496 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337.424 -1.865 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001046896068 673909121 /nfs/dbraw/zinc/90/91/21/673909121.db2.gz IDTALWVKSLTQOF-MLGOLLRUSA-N 1 0 337.424 -1.865 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001046896069 673909076 /nfs/dbraw/zinc/90/90/76/673909076.db2.gz IDTALWVKSLTQOF-WBMJQRKESA-N 1 0 337.424 -1.865 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001046896070 673909129 /nfs/dbraw/zinc/90/91/29/673909129.db2.gz IEOKEXKFWCVZHP-BDJLRTHQSA-N 1 0 349.391 -1.334 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001046896071 673908953 /nfs/dbraw/zinc/90/89/53/673908953.db2.gz IEOKEXKFWCVZHP-BZNIZROVSA-N 1 0 349.391 -1.334 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001046896072 673909034 /nfs/dbraw/zinc/90/90/34/673909034.db2.gz IEOKEXKFWCVZHP-MEDUHNTESA-N 1 0 349.391 -1.334 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001046896073 673909106 /nfs/dbraw/zinc/90/91/06/673909106.db2.gz IEOKEXKFWCVZHP-ZBEGNZNMSA-N 1 0 349.391 -1.334 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@](C)(C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001046896250 673909113 /nfs/dbraw/zinc/90/91/13/673909113.db2.gz JBCCPTRRDBWYRX-BDJLRTHQSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001046896251 673909133 /nfs/dbraw/zinc/90/91/33/673909133.db2.gz JBCCPTRRDBWYRX-BZNIZROVSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@](C)(C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001046896252 673909063 /nfs/dbraw/zinc/90/90/63/673909063.db2.gz JBCCPTRRDBWYRX-MEDUHNTESA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@](C)(C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001046896253 673909056 /nfs/dbraw/zinc/90/90/56/673909056.db2.gz JBCCPTRRDBWYRX-ZBEGNZNMSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@](C)(C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046896926 673909071 /nfs/dbraw/zinc/90/90/71/673909071.db2.gz RSDHRULLUVQJNV-LKFCYVNXSA-N 1 0 335.368 -1.543 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046896927 673909087 /nfs/dbraw/zinc/90/90/87/673909087.db2.gz RSDHRULLUVQJNV-OTYXRUKQSA-N 1 0 335.368 -1.543 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@](C)(C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046896928 673909014 /nfs/dbraw/zinc/90/90/14/673909014.db2.gz RSDHRULLUVQJNV-XPTSAGLGSA-N 1 0 335.368 -1.543 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@](C)(C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046896929 673909030 /nfs/dbraw/zinc/90/90/30/673909030.db2.gz RSDHRULLUVQJNV-YMTOWFKASA-N 1 0 335.368 -1.543 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001046896982 673909118 /nfs/dbraw/zinc/90/91/18/673909118.db2.gz SLLBDTFRGISCSD-ABAIWWIYSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@](C)(C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001046896983 673908970 /nfs/dbraw/zinc/90/89/70/673908970.db2.gz SLLBDTFRGISCSD-IAQYHMDHSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@](C)(C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001046896984 673908981 /nfs/dbraw/zinc/90/89/81/673908981.db2.gz SLLBDTFRGISCSD-NHYWBVRUSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@](C)(C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001046896985 673909126 /nfs/dbraw/zinc/90/91/26/673909126.db2.gz SLLBDTFRGISCSD-XHDPSFHLSA-N 1 0 336.396 -1.702 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046897653 673909397 /nfs/dbraw/zinc/90/93/97/673909397.db2.gz BPCIBPKRRYPJCE-BDJLRTHQSA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046897655 673909289 /nfs/dbraw/zinc/90/92/89/673909289.db2.gz BPCIBPKRRYPJCE-BZNIZROVSA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046897657 673909470 /nfs/dbraw/zinc/90/94/70/673909470.db2.gz BPCIBPKRRYPJCE-MEDUHNTESA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046897658 673909385 /nfs/dbraw/zinc/90/93/85/673909385.db2.gz BPCIBPKRRYPJCE-ZBEGNZNMSA-N 1 0 336.392 -1.244 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001046898587 673909772 /nfs/dbraw/zinc/90/97/72/673909772.db2.gz FYJYCVTXTQYEGK-BLLLJJGKSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C[C@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001046898591 673909794 /nfs/dbraw/zinc/90/97/94/673909794.db2.gz FYJYCVTXTQYEGK-LRDDRELGSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001046898593 673909809 /nfs/dbraw/zinc/90/98/09/673909809.db2.gz FYJYCVTXTQYEGK-MLGOLLRUSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)cn1 ZINC001046898594 673909693 /nfs/dbraw/zinc/90/96/93/673909693.db2.gz FYJYCVTXTQYEGK-WBMJQRKESA-N 1 0 348.407 -1.161 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001046898725 673909413 /nfs/dbraw/zinc/90/94/13/673909413.db2.gz GCVPIRZHNPNJNR-BMIGLBTASA-N 1 0 334.380 -1.019 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001046898727 673909326 /nfs/dbraw/zinc/90/93/26/673909326.db2.gz GCVPIRZHNPNJNR-BONVTDFDSA-N 1 0 334.380 -1.019 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001046898729 673909298 /nfs/dbraw/zinc/90/92/98/673909298.db2.gz GCVPIRZHNPNJNR-MEBBXXQBSA-N 1 0 334.380 -1.019 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001046898731 673909318 /nfs/dbraw/zinc/90/93/18/673909318.db2.gz GCVPIRZHNPNJNR-ZUZCIYMTSA-N 1 0 334.380 -1.019 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2cncn2)C1 ZINC001046899980 673910255 /nfs/dbraw/zinc/91/02/55/673910255.db2.gz ABJATBPXIXHCJY-ABAIWWIYSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2cncn2)C1 ZINC001046899983 673910132 /nfs/dbraw/zinc/91/01/32/673910132.db2.gz ABJATBPXIXHCJY-IAQYHMDHSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2cncn2)C1 ZINC001046899986 673910222 /nfs/dbraw/zinc/91/02/22/673910222.db2.gz ABJATBPXIXHCJY-NHYWBVRUSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cn2cncn2)C1 ZINC001046899988 673910325 /nfs/dbraw/zinc/91/03/25/673910325.db2.gz ABJATBPXIXHCJY-XHDPSFHLSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046900292 673910191 /nfs/dbraw/zinc/91/01/91/673910191.db2.gz BMDAEZDPIHASTO-BMIGLBTASA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046900294 673910225 /nfs/dbraw/zinc/91/02/25/673910225.db2.gz BMDAEZDPIHASTO-BONVTDFDSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046900296 673910081 /nfs/dbraw/zinc/91/00/81/673910081.db2.gz BMDAEZDPIHASTO-MEBBXXQBSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046900298 673910031 /nfs/dbraw/zinc/91/00/31/673910031.db2.gz BMDAEZDPIHASTO-ZUZCIYMTSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)CCn2cnnn2)C1 ZINC001046900526 673910061 /nfs/dbraw/zinc/91/00/61/673910061.db2.gz MAGLNPLQEVLNBD-ABAIWWIYSA-N 1 0 349.395 -1.303 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)CCn2cnnn2)C1 ZINC001046900530 673910188 /nfs/dbraw/zinc/91/01/88/673910188.db2.gz MAGLNPLQEVLNBD-IAQYHMDHSA-N 1 0 349.395 -1.303 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)CCn2cnnn2)C1 ZINC001046900532 673910194 /nfs/dbraw/zinc/91/01/94/673910194.db2.gz MAGLNPLQEVLNBD-NHYWBVRUSA-N 1 0 349.395 -1.303 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)CCn2cnnn2)C1 ZINC001046900534 673910314 /nfs/dbraw/zinc/91/03/14/673910314.db2.gz MAGLNPLQEVLNBD-XHDPSFHLSA-N 1 0 349.395 -1.303 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001046901792 673910281 /nfs/dbraw/zinc/91/02/81/673910281.db2.gz VURDQFVLLAXFKG-BMIGLBTASA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001046901793 673910260 /nfs/dbraw/zinc/91/02/60/673910260.db2.gz VURDQFVLLAXFKG-BONVTDFDSA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001046901794 673910058 /nfs/dbraw/zinc/91/00/58/673910058.db2.gz VURDQFVLLAXFKG-MEBBXXQBSA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCNC2=O)CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001046901795 673910161 /nfs/dbraw/zinc/91/01/61/673910161.db2.gz VURDQFVLLAXFKG-ZUZCIYMTSA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001046902814 673910235 /nfs/dbraw/zinc/91/02/35/673910235.db2.gz NCCPYPJRAKOPEM-BMIGLBTASA-N 1 0 336.392 -1.115 20 0 EAADRO C[C@@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001046902817 673910258 /nfs/dbraw/zinc/91/02/58/673910258.db2.gz NCCPYPJRAKOPEM-BONVTDFDSA-N 1 0 336.392 -1.115 20 0 EAADRO C[C@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001046902819 673910241 /nfs/dbraw/zinc/91/02/41/673910241.db2.gz NCCPYPJRAKOPEM-MEBBXXQBSA-N 1 0 336.392 -1.115 20 0 EAADRO C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001046902823 673910107 /nfs/dbraw/zinc/91/01/07/673910107.db2.gz NCCPYPJRAKOPEM-ZUZCIYMTSA-N 1 0 336.392 -1.115 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001046903349 673910277 /nfs/dbraw/zinc/91/02/77/673910277.db2.gz PJIVORAFCTVDNK-BDJLRTHQSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C[C@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001046903350 673910309 /nfs/dbraw/zinc/91/03/09/673910309.db2.gz PJIVORAFCTVDNK-BZNIZROVSA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001046903351 673910251 /nfs/dbraw/zinc/91/02/51/673910251.db2.gz PJIVORAFCTVDNK-MEDUHNTESA-N 1 0 348.407 -1.161 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@]3(C)CCN(C(=O)C(N)=O)C3)C2=O)n1 ZINC001046903352 673910262 /nfs/dbraw/zinc/91/02/62/673910262.db2.gz PJIVORAFCTVDNK-ZBEGNZNMSA-N 1 0 348.407 -1.161 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001046904113 673910114 /nfs/dbraw/zinc/91/01/14/673910114.db2.gz AGCRPBYCRRHQMY-LLVKDONJSA-N 1 0 336.396 -1.622 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001046904114 673910291 /nfs/dbraw/zinc/91/02/91/673910291.db2.gz AGCRPBYCRRHQMY-NSHDSACASA-N 1 0 336.396 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001046904120 673910256 /nfs/dbraw/zinc/91/02/56/673910256.db2.gz AOIGYJBLBMUETE-UHFFFAOYSA-N 1 0 334.380 -1.868 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1)C1CC1 ZINC001046904206 673910507 /nfs/dbraw/zinc/91/05/07/673910507.db2.gz CFEGZTWFUCIHSX-CYBMUJFWSA-N 1 0 336.396 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ZINC001046904818 673910849 /nfs/dbraw/zinc/91/08/49/673910849.db2.gz JIFNTKIIFUDKQK-MNOVXSKESA-N 1 0 336.396 -1.766 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046904819 673910621 /nfs/dbraw/zinc/91/06/21/673910621.db2.gz JIFNTKIIFUDKQK-QWRGUYRKSA-N 1 0 336.396 -1.766 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046904820 673910564 /nfs/dbraw/zinc/91/05/64/673910564.db2.gz JIFNTKIIFUDKQK-WDEREUQCSA-N 1 0 336.396 -1.766 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046904825 673910471 /nfs/dbraw/zinc/91/04/71/673910471.db2.gz JODUXHVMMITIEY-GFCCVEGCSA-N 1 0 348.407 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046904826 673911258 /nfs/dbraw/zinc/91/12/58/673911258.db2.gz JODUXHVMMITIEY-LBPRGKRZSA-N 1 0 348.407 -1.622 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046904838 673911048 /nfs/dbraw/zinc/91/10/48/673911048.db2.gz 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ZINC001047020355 673917757 /nfs/dbraw/zinc/91/77/57/673917757.db2.gz ICEOWBUTTRLWIR-XQQFMLRXSA-N 1 0 331.384 -1.066 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)O1 ZINC001047020884 673917814 /nfs/dbraw/zinc/91/78/14/673917814.db2.gz GWPXWAJMDCIWBO-CHWSQXEVSA-N 1 0 343.424 -1.178 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCC1)C2 ZINC001047022178 673918046 /nfs/dbraw/zinc/91/80/46/673918046.db2.gz NWDQDDUQRACSNG-AVGNSLFASA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCC1)C2 ZINC001047022179 673918039 /nfs/dbraw/zinc/91/80/39/673918039.db2.gz NWDQDDUQRACSNG-XQQFMLRXSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCNC1=O)C2 ZINC001047025375 673917986 /nfs/dbraw/zinc/91/79/86/673917986.db2.gz ZHXOCBIELCLWSP-AVGNSLFASA-N 1 0 348.411 -1.333 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCNC1=O)C2 ZINC001047025379 673918029 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EAADRO O=C(Cn1ncnn1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCNC1=O)C2 ZINC001047072040 673920395 /nfs/dbraw/zinc/92/03/95/673920395.db2.gz GEGGHEWECVFBMB-AVGNSLFASA-N 1 0 348.411 -1.333 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCNC1=O)C2 ZINC001047072041 673920362 /nfs/dbraw/zinc/92/03/62/673920362.db2.gz GEGGHEWECVFBMB-XQQFMLRXSA-N 1 0 348.411 -1.333 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cncn1)C2 ZINC001047072113 673920383 /nfs/dbraw/zinc/92/03/83/673920383.db2.gz ICLZPYOPCLYEQS-AVGNSLFASA-N 1 0 331.384 -1.066 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cncn1)C2 ZINC001047072115 673920402 /nfs/dbraw/zinc/92/04/02/673920402.db2.gz ICLZPYOPCLYEQS-XQQFMLRXSA-N 1 0 331.384 -1.066 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001047079593 673920399 /nfs/dbraw/zinc/92/03/99/673920399.db2.gz BNTCZTDUJTVNIP-CYBMUJFWSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001047079594 673920374 /nfs/dbraw/zinc/92/03/74/673920374.db2.gz BNTCZTDUJTVNIP-ZDUSSCGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047079597 673920423 /nfs/dbraw/zinc/92/04/23/673920423.db2.gz BQQJDCLTAKKQNU-CHWSQXEVSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047079598 673920783 /nfs/dbraw/zinc/92/07/83/673920783.db2.gz BQQJDCLTAKKQNU-OLZOCXBDSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047079599 673920858 /nfs/dbraw/zinc/92/08/58/673920858.db2.gz BQQJDCLTAKKQNU-QWHCGFSZSA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047079600 673920673 /nfs/dbraw/zinc/92/06/73/673920673.db2.gz BQQJDCLTAKKQNU-STQMWFEESA-N 1 0 340.424 -1.315 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001047079601 673920772 /nfs/dbraw/zinc/92/07/72/673920772.db2.gz 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342.440 -1.069 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001047080623 673921634 /nfs/dbraw/zinc/92/16/34/673921634.db2.gz ODQTVPMBIPRUIG-ZDUSSCGKSA-N 1 0 342.440 -1.069 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001047081113 673921554 /nfs/dbraw/zinc/92/15/54/673921554.db2.gz ULODNHXRAAFDRD-CYBMUJFWSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001047081114 673921597 /nfs/dbraw/zinc/92/15/97/673921597.db2.gz ULODNHXRAAFDRD-ZDUSSCGKSA-N 1 0 342.440 -1.068 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)c1=O ZINC001047081582 673921919 /nfs/dbraw/zinc/92/19/19/673921919.db2.gz GXARMLYNJGSNAH-AVGNSLFASA-N 1 0 336.392 -1.492 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)c1=O ZINC001047081583 673921952 /nfs/dbraw/zinc/92/19/52/673921952.db2.gz GXARMLYNJGSNAH-XQQFMLRXSA-N 1 0 336.392 -1.492 20 0 EAADRO 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CN1CCN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)CC1=O ZINC001047098463 673921957 /nfs/dbraw/zinc/92/19/57/673921957.db2.gz NBCULRDWPOPGLV-XQQFMLRXSA-N 1 0 337.424 -1.785 20 0 EAADRO O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1C(=O)CNC1=O)C2)c1cn[nH]n1 ZINC001047102417 673922236 /nfs/dbraw/zinc/92/22/36/673922236.db2.gz RCMLFMKHESEKLW-AXFHLTTASA-N 1 0 347.379 -1.061 20 0 EAADRO O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1C(=O)CNC1=O)C2)c1cn[nH]n1 ZINC001047102418 673922289 /nfs/dbraw/zinc/92/22/89/673922289.db2.gz RCMLFMKHESEKLW-DCAQKATOSA-N 1 0 347.379 -1.061 20 0 EAADRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccnnc1 ZINC001047121988 673923390 /nfs/dbraw/zinc/92/33/90/673923390.db2.gz QAFJOEDPUVBZLT-UHFFFAOYSA-N 1 0 331.376 -1.125 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001047122520 673923350 /nfs/dbraw/zinc/92/33/50/673923350.db2.gz YILXDRUXURLZNU-UHFFFAOYSA-N 1 0 337.380 -1.642 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)c1=O ZINC001047125956 673923229 /nfs/dbraw/zinc/92/32/29/673923229.db2.gz RBTLECDPMZTYLV-AEJSXWLSSA-N 1 0 335.364 -1.446 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)c1=O ZINC001047125957 673923417 /nfs/dbraw/zinc/92/34/17/673923417.db2.gz RBTLECDPMZTYLV-GUBZILKMSA-N 1 0 335.364 -1.446 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCN2CCNC2=O)C3)n1 ZINC001047126035 673923372 /nfs/dbraw/zinc/92/33/72/673923372.db2.gz SLHVXXMUDQYFIM-SRVKXCTJSA-N 1 0 348.411 -1.182 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCN2CCNC2=O)C3)n1 ZINC001047126037 673923329 /nfs/dbraw/zinc/92/33/29/673923329.db2.gz SLHVXXMUDQYFIM-TUAOUCFPSA-N 1 0 348.411 -1.182 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001047127106 673923743 /nfs/dbraw/zinc/92/37/43/673923743.db2.gz KJQIJKXTHWSNOZ-AAEUAGOBSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001047127108 673923608 /nfs/dbraw/zinc/92/36/08/673923608.db2.gz KJQIJKXTHWSNOZ-DGCLKSJQSA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001047127110 673923779 /nfs/dbraw/zinc/92/37/79/673923779.db2.gz KJQIJKXTHWSNOZ-WCQYABFASA-N 1 0 333.392 -1.023 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001047127111 673923730 /nfs/dbraw/zinc/92/37/30/673923730.db2.gz KJQIJKXTHWSNOZ-YPMHNXCESA-N 1 0 333.392 -1.023 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1CCOCC1)C2 ZINC001047133178 673924440 /nfs/dbraw/zinc/92/44/40/673924440.db2.gz IEIISOPBWVSNRH-DRZSPHRISA-N 1 0 338.408 -1.264 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1CCOCC1)C2 ZINC001047133182 673924580 /nfs/dbraw/zinc/92/45/80/673924580.db2.gz IEIISOPBWVSNRH-UHTWSYAYSA-N 1 0 338.408 -1.264 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCCS1(=O)=O)C2 ZINC001047134262 673924506 /nfs/dbraw/zinc/92/45/06/673924506.db2.gz CBNYBJMTYCCVSD-SRVKXCTJSA-N 1 0 344.437 -1.524 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCCS1(=O)=O)C2 ZINC001047134263 673924342 /nfs/dbraw/zinc/92/43/42/673924342.db2.gz CBNYBJMTYCCVSD-TUAOUCFPSA-N 1 0 344.437 -1.524 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001047134580 673924451 /nfs/dbraw/zinc/92/44/51/673924451.db2.gz DHSYGTTYVIPWOB-AXFHLTTASA-N 1 0 337.380 -2.601 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001047134583 673924355 /nfs/dbraw/zinc/92/43/55/673924355.db2.gz DHSYGTTYVIPWOB-DCAQKATOSA-N 1 0 337.380 -2.601 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCN1C(=O)CNC1=O)C2 ZINC001047136990 673924576 /nfs/dbraw/zinc/92/45/76/673924576.db2.gz AFTBCDYIPFBITL-AXFHLTTASA-N 1 0 337.380 -1.617 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCN1C(=O)CNC1=O)C2 ZINC001047136991 673924514 /nfs/dbraw/zinc/92/45/14/673924514.db2.gz AFTBCDYIPFBITL-DCAQKATOSA-N 1 0 337.380 -1.617 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047145892 673924938 /nfs/dbraw/zinc/92/49/38/673924938.db2.gz OYSOAHLREOCHCV-AEJSXWLSSA-N 1 0 343.409 -1.368 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047145893 673924766 /nfs/dbraw/zinc/92/47/66/673924766.db2.gz OYSOAHLREOCHCV-GUBZILKMSA-N 1 0 343.409 -1.368 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047151359 673924797 /nfs/dbraw/zinc/92/47/97/673924797.db2.gz AEUMQSPJVIFZEB-AVGNSLFASA-N 1 0 346.391 -1.148 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047151360 673924971 /nfs/dbraw/zinc/92/49/71/673924971.db2.gz AEUMQSPJVIFZEB-XQQFMLRXSA-N 1 0 346.391 -1.148 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)C1=O ZINC001047151391 673924890 /nfs/dbraw/zinc/92/48/90/673924890.db2.gz BDUXXVGTLRYCAV-AXFHLTTASA-N 1 0 338.364 -1.632 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)C1=O ZINC001047151392 673924903 /nfs/dbraw/zinc/92/49/03/673924903.db2.gz BDUXXVGTLRYCAV-DCAQKATOSA-N 1 0 338.364 -1.632 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)c(=O)n(C)c1=O ZINC001047152416 673924921 /nfs/dbraw/zinc/92/49/21/673924921.db2.gz NVMSUNQJWMXCAN-AXFHLTTASA-N 1 0 349.391 -1.848 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)c(=O)n(C)c1=O ZINC001047152418 673924961 /nfs/dbraw/zinc/92/49/61/673924961.db2.gz NVMSUNQJWMXCAN-DCAQKATOSA-N 1 0 349.391 -1.848 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)c(=O)n(C)c1=O ZINC001047152770 673924848 /nfs/dbraw/zinc/92/48/48/673924848.db2.gz QGJCONJUQVWWIQ-SRVKXCTJSA-N 1 0 336.392 -1.341 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)c(=O)n(C)c1=O ZINC001047152771 673924836 /nfs/dbraw/zinc/92/48/36/673924836.db2.gz QGJCONJUQVWWIQ-TUAOUCFPSA-N 1 0 336.392 -1.341 20 0 EAADRO O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1C(=O)CNC1=O)C2)c1nnc[nH]1 ZINC001047165079 673926330 /nfs/dbraw/zinc/92/63/30/673926330.db2.gz DFBRNRZCMJGWJP-AXFHLTTASA-N 1 0 347.379 -1.061 20 0 EAADRO O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1C(=O)CNC1=O)C2)c1nnc[nH]1 ZINC001047165080 673926270 /nfs/dbraw/zinc/92/62/70/673926270.db2.gz DFBRNRZCMJGWJP-DCAQKATOSA-N 1 0 347.379 -1.061 20 0 EAADRO O=C(Cc1c[nH]cn1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047171740 673926921 /nfs/dbraw/zinc/92/69/21/673926921.db2.gz MFUAIKBQPNVWLF-UHFFFAOYSA-N 1 0 333.392 -1.263 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001047172201 673927746 /nfs/dbraw/zinc/92/77/46/673927746.db2.gz QXNQUCPAIGHORE-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001047172202 673927368 /nfs/dbraw/zinc/92/73/68/673927368.db2.gz QXNQUCPAIGHORE-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047172487 673927594 /nfs/dbraw/zinc/92/75/94/673927594.db2.gz UBJUJFRARIIDJK-UHFFFAOYSA-N 1 0 339.396 -1.780 20 0 EAADRO O=C(Cc1c[nH]cn1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047176391 673927506 /nfs/dbraw/zinc/92/75/06/673927506.db2.gz AIBXIADPOBGYIB-AWEZNQCLSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047176393 673927473 /nfs/dbraw/zinc/92/74/73/673927473.db2.gz AIBXIADPOBGYIB-CQSZACIVSA-N 1 0 347.419 -1.017 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001047176438 673927837 /nfs/dbraw/zinc/92/78/37/673927837.db2.gz BFNZQPDGDGOJGC-AWEZNQCLSA-N 1 0 335.408 -1.018 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001047176439 673927647 /nfs/dbraw/zinc/92/76/47/673927647.db2.gz BFNZQPDGDGOJGC-CQSZACIVSA-N 1 0 335.408 -1.018 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001047176481 673927438 /nfs/dbraw/zinc/92/74/38/673927438.db2.gz CIXALFPRRGYBOI-GFCCVEGCSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001047176482 673927287 /nfs/dbraw/zinc/92/72/87/673927287.db2.gz CIXALFPRRGYBOI-LBPRGKRZSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047176950 673928318 /nfs/dbraw/zinc/92/83/18/673928318.db2.gz KUZVEJLZUFZJCT-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047177027 673927969 /nfs/dbraw/zinc/92/79/69/673927969.db2.gz MDUWRLHOLMMTIO-AAEUAGOBSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047177028 673928094 /nfs/dbraw/zinc/92/80/94/673928094.db2.gz MDUWRLHOLMMTIO-DGCLKSJQSA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047177029 673928250 /nfs/dbraw/zinc/92/82/50/673928250.db2.gz MDUWRLHOLMMTIO-WCQYABFASA-N 1 0 335.408 -1.161 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047177103 673928084 /nfs/dbraw/zinc/92/80/84/673928084.db2.gz MDUWRLHOLMMTIO-YPMHNXCESA-N 1 0 335.408 -1.161 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047177106 673928300 /nfs/dbraw/zinc/92/83/00/673928300.db2.gz MGIHNICMOYZODJ-UHFFFAOYSA-N 1 0 335.408 -1.017 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)C1=O ZINC001047182123 673928370 /nfs/dbraw/zinc/92/83/70/673928370.db2.gz QXCZSDQGCJBINW-AXFHLTTASA-N 1 0 337.380 -1.665 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)C1=O ZINC001047182124 673927989 /nfs/dbraw/zinc/92/79/89/673927989.db2.gz QXCZSDQGCJBINW-DCAQKATOSA-N 1 0 337.380 -1.665 20 0 EAADRO O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2)c1cc(=O)n2[nH]cnc2n1 ZINC001047182237 673928836 /nfs/dbraw/zinc/92/88/36/673928836.db2.gz VCDWBPJSIJAGCB-AXFHLTTASA-N 1 0 332.364 -1.007 20 0 EAADRO 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ZINC001047382172 673941992 /nfs/dbraw/zinc/94/19/92/673941992.db2.gz XNTYNRAOYWUAQX-ZNMIVQPWSA-N 1 0 346.391 -1.090 20 0 EAADRO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047382201 673941919 /nfs/dbraw/zinc/94/19/19/673941919.db2.gz YDHOEMJJGZHFLT-STQMWFEESA-N 1 0 334.384 -1.847 20 0 EAADRO CCn1cc(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cn3ncnn3)C2)cn1 ZINC001047382243 673942009 /nfs/dbraw/zinc/94/20/09/673942009.db2.gz ZSGDNTZSNWYYLO-KBPBESRZSA-N 1 0 348.411 -1.364 20 0 EAADRO CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047383457 673942001 /nfs/dbraw/zinc/94/20/01/673942001.db2.gz CCKTYNBYMLMZLZ-STQMWFEESA-N 1 0 338.412 -1.953 20 0 EAADRO CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CN(CCO)C[C@@H]1O ZINC001047384470 673942315 /nfs/dbraw/zinc/94/23/15/673942315.db2.gz SKCKOBQIBGMQJB-KBPBESRZSA-N 1 0 325.413 -1.446 20 0 EAADRO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001047384582 673942121 /nfs/dbraw/zinc/94/21/21/673942121.db2.gz AZUZAIIIXDEXNF-MQYQWHSLSA-N 1 0 326.441 -1.082 20 0 EAADRO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385161 673942281 /nfs/dbraw/zinc/94/22/81/673942281.db2.gz ARHHWLKTXACYSP-NDBYEHHHSA-N 1 0 337.428 -1.446 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385165 673942253 /nfs/dbraw/zinc/94/22/53/673942253.db2.gz BNMNMVMSUWUOAR-DCAQKATOSA-N 1 0 340.384 -2.085 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385166 673942302 /nfs/dbraw/zinc/94/23/02/673942302.db2.gz BNMNMVMSUWUOAR-VWYCJHECSA-N 1 0 340.384 -2.085 20 0 EAADRO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001047385168 673942325 /nfs/dbraw/zinc/94/23/25/673942325.db2.gz BQHUUAMLBRBGKW-RYUDHWBXSA-N 1 0 336.396 -1.319 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385175 673942258 /nfs/dbraw/zinc/94/22/58/673942258.db2.gz CAMCTWJEDWPKCK-GUBZILKMSA-N 1 0 326.357 -2.739 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385176 673942334 /nfs/dbraw/zinc/94/23/34/673942334.db2.gz CAMCTWJEDWPKCK-UTLUCORTSA-N 1 0 326.357 -2.739 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385196 673942241 /nfs/dbraw/zinc/94/22/41/673942241.db2.gz ARNLWSAMOYETCX-DCAQKATOSA-N 1 0 340.384 -2.085 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385198 673942299 /nfs/dbraw/zinc/94/22/99/673942299.db2.gz ARNLWSAMOYETCX-VWYCJHECSA-N 1 0 340.384 -2.085 20 0 EAADRO CC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385348 673942261 /nfs/dbraw/zinc/94/22/61/673942261.db2.gz JDFOPAPPDYBHFK-SRVKXCTJSA-N 1 0 338.412 -1.073 20 0 EAADRO CC[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385349 673942328 /nfs/dbraw/zinc/94/23/28/673942328.db2.gz JDFOPAPPDYBHFK-WOPDTQHZSA-N 1 0 338.412 -1.073 20 0 EAADRO COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385421 673942204 /nfs/dbraw/zinc/94/22/04/673942204.db2.gz LKOSUDSVRRXYEE-UWVGGRQHSA-N 1 0 326.357 -2.473 20 0 EAADRO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047385531 673942157 /nfs/dbraw/zinc/94/21/57/673942157.db2.gz QWGFAQWGSJHUFN-UWVGGRQHSA-N 1 0 328.348 -1.760 20 0 EAADRO CC(C)=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385832 673942176 /nfs/dbraw/zinc/94/21/76/673942176.db2.gz DLEMPLSRGFZPND-RYUDHWBXSA-N 1 0 336.396 -1.153 20 0 EAADRO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001047386036 673942197 /nfs/dbraw/zinc/94/21/97/673942197.db2.gz KONJOMDHJUXFDT-MQYQWHSLSA-N 1 0 347.481 -1.125 20 0 EAADRO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001047386062 673942226 /nfs/dbraw/zinc/94/22/26/673942226.db2.gz LLNDWMPTAWSLNA-RYUDHWBXSA-N 1 0 336.396 -1.319 20 0 EAADRO CC(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047386245 673942305 /nfs/dbraw/zinc/94/23/05/673942305.db2.gz PLVLTPFCCNEPKH-RYUDHWBXSA-N 1 0 338.412 -1.073 20 0 EAADRO C[C@H](F)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047386279 673942312 /nfs/dbraw/zinc/94/23/12/673942312.db2.gz PYJYYCYGBJHONT-DCAQKATOSA-N 1 0 342.375 -1.371 20 0 EAADRO C[C@@H](F)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047386304 673942274 /nfs/dbraw/zinc/94/22/74/673942274.db2.gz PYJYYCYGBJHONT-VWYCJHECSA-N 1 0 342.375 -1.371 20 0 EAADRO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(Cc3nnnn3C)C[C@@H]2O)CC[N@@H+]1C ZINC001047386470 673942345 /nfs/dbraw/zinc/94/23/45/673942345.db2.gz VDPXRFZPIQQEJU-NDBYEHHHSA-N 1 0 337.428 -1.446 20 0 EAADRO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047386512 673942286 /nfs/dbraw/zinc/94/22/86/673942286.db2.gz XZLAYXULQYBAPU-UWVGGRQHSA-N 1 0 326.357 -2.737 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(CC(=O)NC)C[C@@H]2O)CC[N@@H+]1C ZINC001047386527 673942245 /nfs/dbraw/zinc/94/22/45/673942245.db2.gz YTIHOIRUWDPOPU-CRWXNKLISA-N 1 0 326.441 -1.034 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001047389124 673942641 /nfs/dbraw/zinc/94/26/41/673942641.db2.gz SHKQXDMKADRAFW-DCAQKATOSA-N 1 0 326.401 -1.074 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001047389125 673942515 /nfs/dbraw/zinc/94/25/15/673942515.db2.gz SHKQXDMKADRAFW-VWYCJHECSA-N 1 0 326.401 -1.074 20 0 EAADRO CN(C(=O)c1nnn(C(C)(C)C)n1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047389128 673942632 /nfs/dbraw/zinc/94/26/32/673942632.db2.gz SSPCGJPNJXXHEJ-QWRGUYRKSA-N 1 0 326.401 -1.072 20 0 EAADRO CN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047393105 673942498 /nfs/dbraw/zinc/94/24/98/673942498.db2.gz LZYRFHWYAXHMDQ-QWRGUYRKSA-N 1 0 326.401 -1.534 20 0 EAADRO CN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047393594 673942490 /nfs/dbraw/zinc/94/24/90/673942490.db2.gz SILLWHNUXZNCPM-RYUDHWBXSA-N 1 0 340.428 -1.144 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001047393950 673942481 /nfs/dbraw/zinc/94/24/81/673942481.db2.gz CJPPSQLKTITOGG-SRVKXCTJSA-N 1 0 340.428 -1.145 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001047393951 673942615 /nfs/dbraw/zinc/94/26/15/673942615.db2.gz CJPPSQLKTITOGG-WOPDTQHZSA-N 1 0 340.428 -1.145 20 0 EAADRO CN(C(=O)C1CS(=O)(=O)C1)[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001047394176 673942512 /nfs/dbraw/zinc/94/25/12/673942512.db2.gz LWFUFDVPVGWMDW-KBPBESRZSA-N 1 0 346.449 -1.039 20 0 EAADRO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001047397417 673942801 /nfs/dbraw/zinc/94/28/01/673942801.db2.gz REGMHYYUHKDGIY-AJNGGQMLSA-N 1 0 338.408 -1.216 20 0 EAADRO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001047397418 673942832 /nfs/dbraw/zinc/94/28/32/673942832.db2.gz REGMHYYUHKDGIY-XGUBFFRZSA-N 1 0 338.408 -1.216 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047397643 673942972 /nfs/dbraw/zinc/94/29/72/673942972.db2.gz BTFPRSNTNPBHBQ-KBPBESRZSA-N 1 0 333.396 -1.242 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047397851 673943114 /nfs/dbraw/zinc/94/31/14/673943114.db2.gz LAGWLDALQOJZCO-KBPBESRZSA-N 1 0 333.396 -1.242 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001047397956 673943159 /nfs/dbraw/zinc/94/31/59/673943159.db2.gz QAOSPHKMUQEQBN-IHRRRGAJSA-N 1 0 349.395 -1.961 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001047397957 673943294 /nfs/dbraw/zinc/94/32/94/673943294.db2.gz QAOSPHKMUQEQBN-RDBSUJKOSA-N 1 0 349.395 -1.961 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001047398017 673943129 /nfs/dbraw/zinc/94/31/29/673943129.db2.gz SHAYTOBRPDXUOW-AGIUHOORSA-N 1 0 346.395 -1.439 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001047398018 673943097 /nfs/dbraw/zinc/94/30/97/673943097.db2.gz SHAYTOBRPDXUOW-AVGNSLFASA-N 1 0 346.395 -1.439 20 0 EAADRO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047398335 673943305 /nfs/dbraw/zinc/94/33/05/673943305.db2.gz YXZCNAYURGBPCM-KBPBESRZSA-N 1 0 346.391 -1.320 20 0 EAADRO CN(C(=O)c1cccc(OCC(N)=O)c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047398401 673943263 /nfs/dbraw/zinc/94/32/63/673943263.db2.gz MLTXOCSADMIMNM-KBPBESRZSA-N 1 0 337.376 -1.340 20 0 EAADRO CC(C)CN1C[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC1=O ZINC001047398482 673943194 /nfs/dbraw/zinc/94/31/94/673943194.db2.gz QLRZYSGNQDIUDF-IHRRRGAJSA-N 1 0 327.425 -1.013 20 0 EAADRO CC(C)CN1C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC1=O ZINC001047398483 673943140 /nfs/dbraw/zinc/94/31/40/673943140.db2.gz QLRZYSGNQDIUDF-RDBSUJKOSA-N 1 0 327.425 -1.013 20 0 EAADRO C[C@@H](C(=O)N(C)[C@H]1C[N@H+](CCCO)C[C@@H]1O)N1C(=O)CCC1=O ZINC001047400664 673943319 /nfs/dbraw/zinc/94/33/19/673943319.db2.gz 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CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001047401107 673943614 /nfs/dbraw/zinc/94/36/14/673943614.db2.gz DGHWNBIWEDPEBY-AGIUHOORSA-N 1 0 349.453 -1.440 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001047401108 673943618 /nfs/dbraw/zinc/94/36/18/673943618.db2.gz DGHWNBIWEDPEBY-AVGNSLFASA-N 1 0 349.453 -1.440 20 0 EAADRO CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047401117 673943690 /nfs/dbraw/zinc/94/36/90/673943690.db2.gz DPURAMOTBRUIJV-ILXRZTDVSA-N 1 0 349.435 -1.056 20 0 EAADRO CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047401118 673943669 /nfs/dbraw/zinc/94/36/69/673943669.db2.gz DPURAMOTBRUIJV-KKUMJFAQSA-N 1 0 349.435 -1.056 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001047401142 673943731 /nfs/dbraw/zinc/94/37/31/673943731.db2.gz FUUZKWUHMVONEH-SRVKXCTJSA-N 1 0 340.380 -2.569 20 0 EAADRO 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673977367 /nfs/dbraw/zinc/97/73/67/673977367.db2.gz JAIGYNAWVMTHFF-ZJUUUORDSA-N 1 0 330.414 -1.419 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047752604 673977294 /nfs/dbraw/zinc/97/72/94/673977294.db2.gz ZVERZBGUJZQSTB-NXEZZACHSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047752606 673977353 /nfs/dbraw/zinc/97/73/53/673977353.db2.gz ZVERZBGUJZQSTB-UWVGGRQHSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047752608 673977300 /nfs/dbraw/zinc/97/73/00/673977300.db2.gz ZVERZBGUJZQSTB-VHSXEESVSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047752610 673977311 /nfs/dbraw/zinc/97/73/11/673977311.db2.gz ZVERZBGUJZQSTB-ZJUUUORDSA-N 1 0 345.425 -1.520 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047798783 673977276 /nfs/dbraw/zinc/97/72/76/673977276.db2.gz HBPQJBNQUZRMQH-NXEZZACHSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047798790 673977341 /nfs/dbraw/zinc/97/73/41/673977341.db2.gz HBPQJBNQUZRMQH-UWVGGRQHSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047798792 673977307 /nfs/dbraw/zinc/97/73/07/673977307.db2.gz HBPQJBNQUZRMQH-VHSXEESVSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047798795 673977304 /nfs/dbraw/zinc/97/73/04/673977304.db2.gz HBPQJBNQUZRMQH-ZJUUUORDSA-N 1 0 335.372 -1.466 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001047809500 673977742 /nfs/dbraw/zinc/97/77/42/673977742.db2.gz NGTNHTTZSOWTSW-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001047809501 673977642 /nfs/dbraw/zinc/97/76/42/673977642.db2.gz NGTNHTTZSOWTSW-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001047809502 673977703 /nfs/dbraw/zinc/97/77/03/673977703.db2.gz NGTNHTTZSOWTSW-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001047809503 673977698 /nfs/dbraw/zinc/97/76/98/673977698.db2.gz NGTNHTTZSOWTSW-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047823821 673977767 /nfs/dbraw/zinc/97/77/67/673977767.db2.gz GOFJMKDOSGSJOW-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047823822 673977578 /nfs/dbraw/zinc/97/75/78/673977578.db2.gz GOFJMKDOSGSJOW-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047823823 673977640 /nfs/dbraw/zinc/97/76/40/673977640.db2.gz GOFJMKDOSGSJOW-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047823824 673977716 /nfs/dbraw/zinc/97/77/16/673977716.db2.gz GOFJMKDOSGSJOW-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830285 673977646 /nfs/dbraw/zinc/97/76/46/673977646.db2.gz CEVNYDILNSEZGF-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830287 673977734 /nfs/dbraw/zinc/97/77/34/673977734.db2.gz CEVNYDILNSEZGF-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830288 673977567 /nfs/dbraw/zinc/97/75/67/673977567.db2.gz CEVNYDILNSEZGF-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830289 673977521 /nfs/dbraw/zinc/97/75/21/673977521.db2.gz CEVNYDILNSEZGF-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047839033 673977540 /nfs/dbraw/zinc/97/75/40/673977540.db2.gz ZBHPSPSNVVWHTG-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047839034 673977530 /nfs/dbraw/zinc/97/75/30/673977530.db2.gz ZBHPSPSNVVWHTG-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047839035 673977555 /nfs/dbraw/zinc/97/75/55/673977555.db2.gz ZBHPSPSNVVWHTG-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047839036 673977611 /nfs/dbraw/zinc/97/76/11/673977611.db2.gz ZBHPSPSNVVWHTG-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047844744 673977598 /nfs/dbraw/zinc/97/75/98/673977598.db2.gz RWBOBWZNOZAXFF-NXEZZACHSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047844745 673977775 /nfs/dbraw/zinc/97/77/75/673977775.db2.gz RWBOBWZNOZAXFF-UWVGGRQHSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047844746 673977662 /nfs/dbraw/zinc/97/76/62/673977662.db2.gz RWBOBWZNOZAXFF-VHSXEESVSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047844747 673977486 /nfs/dbraw/zinc/97/74/86/673977486.db2.gz RWBOBWZNOZAXFF-ZJUUUORDSA-N 1 0 335.372 -1.878 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047847230 673977628 /nfs/dbraw/zinc/97/76/28/673977628.db2.gz GQVUQYGWYNTOKK-NXEZZACHSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047847232 673977561 /nfs/dbraw/zinc/97/75/61/673977561.db2.gz GQVUQYGWYNTOKK-UWVGGRQHSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047847234 673977689 /nfs/dbraw/zinc/97/76/89/673977689.db2.gz GQVUQYGWYNTOKK-VHSXEESVSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047847236 673977711 /nfs/dbraw/zinc/97/77/11/673977711.db2.gz GQVUQYGWYNTOKK-ZJUUUORDSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047856203 673977617 /nfs/dbraw/zinc/97/76/17/673977617.db2.gz UFXLZGNPKOMNQN-GHMZBOCLSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047856204 673977738 /nfs/dbraw/zinc/97/77/38/673977738.db2.gz UFXLZGNPKOMNQN-MNOVXSKESA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047856205 673977513 /nfs/dbraw/zinc/97/75/13/673977513.db2.gz UFXLZGNPKOMNQN-QWRGUYRKSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047856206 673977503 /nfs/dbraw/zinc/97/75/03/673977503.db2.gz UFXLZGNPKOMNQN-WDEREUQCSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861205 673977763 /nfs/dbraw/zinc/97/77/63/673977763.db2.gz VHIDPNLLQGFGSD-NXEZZACHSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861206 673977751 /nfs/dbraw/zinc/97/77/51/673977751.db2.gz VHIDPNLLQGFGSD-UWVGGRQHSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861207 673977658 /nfs/dbraw/zinc/97/76/58/673977658.db2.gz VHIDPNLLQGFGSD-VHSXEESVSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861208 673977634 /nfs/dbraw/zinc/97/76/34/673977634.db2.gz VHIDPNLLQGFGSD-ZJUUUORDSA-N 1 0 342.425 -1.419 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001047875505 673978016 /nfs/dbraw/zinc/97/80/16/673978016.db2.gz LUIWOEGQNFSHSC-NXEZZACHSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001047875506 673978012 /nfs/dbraw/zinc/97/80/12/673978012.db2.gz LUIWOEGQNFSHSC-UWVGGRQHSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001047875507 673978116 /nfs/dbraw/zinc/97/81/16/673978116.db2.gz LUIWOEGQNFSHSC-VHSXEESVSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001047875508 673977996 /nfs/dbraw/zinc/97/79/96/673977996.db2.gz LUIWOEGQNFSHSC-ZJUUUORDSA-N 1 0 338.412 -1.054 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047878941 673978025 /nfs/dbraw/zinc/97/80/25/673978025.db2.gz UOLVVUQGXYNTID-GHMZBOCLSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047878942 673977911 /nfs/dbraw/zinc/97/79/11/673977911.db2.gz UOLVVUQGXYNTID-MNOVXSKESA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047878943 673977959 /nfs/dbraw/zinc/97/79/59/673977959.db2.gz UOLVVUQGXYNTID-QWRGUYRKSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047878944 673978171 /nfs/dbraw/zinc/97/81/71/673978171.db2.gz UOLVVUQGXYNTID-WDEREUQCSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887125 673978127 /nfs/dbraw/zinc/97/81/27/673978127.db2.gz JHTCLDVBKSBCTG-NEPJUHHUSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887126 673978089 /nfs/dbraw/zinc/97/80/89/673978089.db2.gz JHTCLDVBKSBCTG-NWDGAFQWSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887127 673977956 /nfs/dbraw/zinc/97/79/56/673977956.db2.gz JHTCLDVBKSBCTG-RYUDHWBXSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887128 673978179 /nfs/dbraw/zinc/97/81/79/673978179.db2.gz JHTCLDVBKSBCTG-VXGBXAGGSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887289 673978045 /nfs/dbraw/zinc/97/80/45/673978045.db2.gz LXBDSQSRFZZJKY-GHMZBOCLSA-N 1 0 335.368 -1.008 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887290 673977929 /nfs/dbraw/zinc/97/79/29/673977929.db2.gz LXBDSQSRFZZJKY-MNOVXSKESA-N 1 0 335.368 -1.008 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887291 673978140 /nfs/dbraw/zinc/97/81/40/673978140.db2.gz LXBDSQSRFZZJKY-QWRGUYRKSA-N 1 0 335.368 -1.008 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887292 673978077 /nfs/dbraw/zinc/97/80/77/673978077.db2.gz LXBDSQSRFZZJKY-WDEREUQCSA-N 1 0 335.368 -1.008 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887405 673977923 /nfs/dbraw/zinc/97/79/23/673977923.db2.gz NFLIGXCDDHFRLE-NEPJUHHUSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887406 673978110 /nfs/dbraw/zinc/97/81/10/673978110.db2.gz NFLIGXCDDHFRLE-NWDGAFQWSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887407 673977976 /nfs/dbraw/zinc/97/79/76/673977976.db2.gz NFLIGXCDDHFRLE-RYUDHWBXSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047887408 673977979 /nfs/dbraw/zinc/97/79/79/673977979.db2.gz NFLIGXCDDHFRLE-VXGBXAGGSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888077 673977940 /nfs/dbraw/zinc/97/79/40/673977940.db2.gz QOMHGDJDNNOPLI-NEPJUHHUSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888081 673977919 /nfs/dbraw/zinc/97/79/19/673977919.db2.gz QOMHGDJDNNOPLI-NWDGAFQWSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888085 673977972 /nfs/dbraw/zinc/97/79/72/673977972.db2.gz QOMHGDJDNNOPLI-RYUDHWBXSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888089 673978086 /nfs/dbraw/zinc/97/80/86/673978086.db2.gz QOMHGDJDNNOPLI-VXGBXAGGSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888397 673977962 /nfs/dbraw/zinc/97/79/62/673977962.db2.gz RSGFAXDMXVVBRL-GHMZBOCLSA-N 1 0 349.399 -1.868 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888398 673978000 /nfs/dbraw/zinc/97/80/00/673978000.db2.gz RSGFAXDMXVVBRL-MNOVXSKESA-N 1 0 349.399 -1.868 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888401 673977938 /nfs/dbraw/zinc/97/79/38/673977938.db2.gz RSGFAXDMXVVBRL-QWRGUYRKSA-N 1 0 349.399 -1.868 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047888404 673978035 /nfs/dbraw/zinc/97/80/35/673978035.db2.gz RSGFAXDMXVVBRL-WDEREUQCSA-N 1 0 349.399 -1.868 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889217 673978120 /nfs/dbraw/zinc/97/81/20/673978120.db2.gz UZCYBJHZAFMCNJ-NEPJUHHUSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889222 673978097 /nfs/dbraw/zinc/97/80/97/673978097.db2.gz UZCYBJHZAFMCNJ-NWDGAFQWSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889227 673978007 /nfs/dbraw/zinc/97/80/07/673978007.db2.gz UZCYBJHZAFMCNJ-RYUDHWBXSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889230 673978049 /nfs/dbraw/zinc/97/80/49/673978049.db2.gz UZCYBJHZAFMCNJ-VXGBXAGGSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889311 673978061 /nfs/dbraw/zinc/97/80/61/673978061.db2.gz VJUZHZIIYKPRQZ-NEPJUHHUSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889314 673978083 /nfs/dbraw/zinc/97/80/83/673978083.db2.gz VJUZHZIIYKPRQZ-NWDGAFQWSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889317 673978132 /nfs/dbraw/zinc/97/81/32/673978132.db2.gz VJUZHZIIYKPRQZ-RYUDHWBXSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001047889322 673977974 /nfs/dbraw/zinc/97/79/74/673977974.db2.gz VJUZHZIIYKPRQZ-VXGBXAGGSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047908007 673977965 /nfs/dbraw/zinc/97/79/65/673977965.db2.gz HFTARFYSOPIJMK-GHMZBOCLSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047908008 673977951 /nfs/dbraw/zinc/97/79/51/673977951.db2.gz HFTARFYSOPIJMK-MNOVXSKESA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047908009 673978054 /nfs/dbraw/zinc/97/80/54/673978054.db2.gz HFTARFYSOPIJMK-QWRGUYRKSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047908010 673977969 /nfs/dbraw/zinc/97/79/69/673977969.db2.gz HFTARFYSOPIJMK-WDEREUQCSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047922731 673978526 /nfs/dbraw/zinc/97/85/26/673978526.db2.gz BCINGUKWYRUOJE-NEPJUHHUSA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047922732 673978488 /nfs/dbraw/zinc/97/84/88/673978488.db2.gz BCINGUKWYRUOJE-NWDGAFQWSA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047922733 673978546 /nfs/dbraw/zinc/97/85/46/673978546.db2.gz BCINGUKWYRUOJE-RYUDHWBXSA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047922734 673978578 /nfs/dbraw/zinc/97/85/78/673978578.db2.gz BCINGUKWYRUOJE-VXGBXAGGSA-N 1 0 336.396 -1.172 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047922998 673978442 /nfs/dbraw/zinc/97/84/42/673978442.db2.gz BNPFQMWMPLDLIF-CHWSQXEVSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923000 673978447 /nfs/dbraw/zinc/97/84/47/673978447.db2.gz BNPFQMWMPLDLIF-OLZOCXBDSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923001 673978568 /nfs/dbraw/zinc/97/85/68/673978568.db2.gz BNPFQMWMPLDLIF-QWHCGFSZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923002 673978341 /nfs/dbraw/zinc/97/83/41/673978341.db2.gz BNPFQMWMPLDLIF-STQMWFEESA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923056 673978413 /nfs/dbraw/zinc/97/84/13/673978413.db2.gz CEXOSJVWVZTFII-CHWSQXEVSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923057 673978381 /nfs/dbraw/zinc/97/83/81/673978381.db2.gz CEXOSJVWVZTFII-OLZOCXBDSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923059 673978417 /nfs/dbraw/zinc/97/84/17/673978417.db2.gz CEXOSJVWVZTFII-QWHCGFSZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923060 673978470 /nfs/dbraw/zinc/97/84/70/673978470.db2.gz CEXOSJVWVZTFII-STQMWFEESA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923750 673978542 /nfs/dbraw/zinc/97/85/42/673978542.db2.gz ILHYSNWEYXBWPK-CHWSQXEVSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923751 673978512 /nfs/dbraw/zinc/97/85/12/673978512.db2.gz ILHYSNWEYXBWPK-OLZOCXBDSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923752 673978558 /nfs/dbraw/zinc/97/85/58/673978558.db2.gz ILHYSNWEYXBWPK-QWHCGFSZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047923753 673978534 /nfs/dbraw/zinc/97/85/34/673978534.db2.gz ILHYSNWEYXBWPK-STQMWFEESA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924780 673978505 /nfs/dbraw/zinc/97/85/05/673978505.db2.gz QERQJJKRXNVDCJ-CHWSQXEVSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924781 673978433 /nfs/dbraw/zinc/97/84/33/673978433.db2.gz QERQJJKRXNVDCJ-OLZOCXBDSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924782 673978352 /nfs/dbraw/zinc/97/83/52/673978352.db2.gz QERQJJKRXNVDCJ-QWHCGFSZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924783 673978395 /nfs/dbraw/zinc/97/83/95/673978395.db2.gz QERQJJKRXNVDCJ-STQMWFEESA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924982 673978553 /nfs/dbraw/zinc/97/85/53/673978553.db2.gz SACUHESYDVXKPT-CHWSQXEVSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924984 673978509 /nfs/dbraw/zinc/97/85/09/673978509.db2.gz SACUHESYDVXKPT-OLZOCXBDSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924985 673978574 /nfs/dbraw/zinc/97/85/74/673978574.db2.gz SACUHESYDVXKPT-QWHCGFSZSA-N 1 0 349.439 -1.427 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001047924987 673978561 /nfs/dbraw/zinc/97/85/61/673978561.db2.gz SACUHESYDVXKPT-STQMWFEESA-N 1 0 349.439 -1.427 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC001047926245 673978358 /nfs/dbraw/zinc/97/83/58/673978358.db2.gz ZFVVFTDBJCBLMK-AAEUAGOBSA-N 1 0 349.439 -1.128 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC001047926317 673978581 /nfs/dbraw/zinc/97/85/81/673978581.db2.gz ZFVVFTDBJCBLMK-DGCLKSJQSA-N 1 0 349.439 -1.128 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC001047926318 673978539 /nfs/dbraw/zinc/97/85/39/673978539.db2.gz ZFVVFTDBJCBLMK-WCQYABFASA-N 1 0 349.439 -1.128 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC001047926320 673978406 /nfs/dbraw/zinc/97/84/06/673978406.db2.gz ZFVVFTDBJCBLMK-YPMHNXCESA-N 1 0 349.439 -1.128 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930393 673978502 /nfs/dbraw/zinc/97/85/02/673978502.db2.gz DDLWMNJAGMKCNI-BDAKNGLRSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930394 673978465 /nfs/dbraw/zinc/97/84/65/673978465.db2.gz DDLWMNJAGMKCNI-DTWKUNHWSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930395 673978455 /nfs/dbraw/zinc/97/84/55/673978455.db2.gz DDLWMNJAGMKCNI-IUCAKERBSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930396 673978523 /nfs/dbraw/zinc/97/85/23/673978523.db2.gz DDLWMNJAGMKCNI-RKDXNWHRSA-N 1 0 335.372 -1.728 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047945429 673978518 /nfs/dbraw/zinc/97/85/18/673978518.db2.gz CUTUAZFFLODDCD-NXEZZACHSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047945434 673978387 /nfs/dbraw/zinc/97/83/87/673978387.db2.gz CUTUAZFFLODDCD-UWVGGRQHSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047945436 673978496 /nfs/dbraw/zinc/97/84/96/673978496.db2.gz CUTUAZFFLODDCD-VHSXEESVSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047945438 673978565 /nfs/dbraw/zinc/97/85/65/673978565.db2.gz CUTUAZFFLODDCD-ZJUUUORDSA-N 1 0 347.379 -1.168 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047948340 673978688 /nfs/dbraw/zinc/97/86/88/673978688.db2.gz OZZQDSPWOQQFIC-NXEZZACHSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047948341 673978676 /nfs/dbraw/zinc/97/86/76/673978676.db2.gz OZZQDSPWOQQFIC-UWVGGRQHSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047948342 673978718 /nfs/dbraw/zinc/97/87/18/673978718.db2.gz OZZQDSPWOQQFIC-VHSXEESVSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047948343 673978818 /nfs/dbraw/zinc/97/88/18/673978818.db2.gz OZZQDSPWOQQFIC-ZJUUUORDSA-N 1 0 332.368 -1.066 20 0 EAADRO C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951754 673978707 /nfs/dbraw/zinc/97/87/07/673978707.db2.gz VIAAOXHLASLAIX-BDAKNGLRSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951756 673978755 /nfs/dbraw/zinc/97/87/55/673978755.db2.gz VIAAOXHLASLAIX-DTWKUNHWSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951759 673978886 /nfs/dbraw/zinc/97/88/86/673978886.db2.gz VIAAOXHLASLAIX-IUCAKERBSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951761 673978654 /nfs/dbraw/zinc/97/86/54/673978654.db2.gz VIAAOXHLASLAIX-RKDXNWHRSA-N 1 0 347.379 -1.119 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952083 673978867 /nfs/dbraw/zinc/97/88/67/673978867.db2.gz XURGHLOUWIYESM-NXEZZACHSA-N 1 0 336.396 -1.300 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952143 673978727 /nfs/dbraw/zinc/97/87/27/673978727.db2.gz XURGHLOUWIYESM-UWVGGRQHSA-N 1 0 336.396 -1.300 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952144 673978860 /nfs/dbraw/zinc/97/88/60/673978860.db2.gz XURGHLOUWIYESM-VHSXEESVSA-N 1 0 336.396 -1.300 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952145 673978751 /nfs/dbraw/zinc/97/87/51/673978751.db2.gz XURGHLOUWIYESM-ZJUUUORDSA-N 1 0 336.396 -1.300 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001047953971 673978855 /nfs/dbraw/zinc/97/88/55/673978855.db2.gz GGCYNEWNNNBJHN-BDAKNGLRSA-N 1 0 338.368 -1.830 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001047953974 673978822 /nfs/dbraw/zinc/97/88/22/673978822.db2.gz GGCYNEWNNNBJHN-DTWKUNHWSA-N 1 0 338.368 -1.830 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001047953976 673978832 /nfs/dbraw/zinc/97/88/32/673978832.db2.gz GGCYNEWNNNBJHN-IUCAKERBSA-N 1 0 338.368 -1.830 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001047953979 673978682 /nfs/dbraw/zinc/97/86/82/673978682.db2.gz GGCYNEWNNNBJHN-RKDXNWHRSA-N 1 0 338.368 -1.830 20 0 EAADRO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047954596 673978741 /nfs/dbraw/zinc/97/87/41/673978741.db2.gz JBJRYYPCBIHSJM-NXEZZACHSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047954597 673978849 /nfs/dbraw/zinc/97/88/49/673978849.db2.gz JBJRYYPCBIHSJM-UWVGGRQHSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047954598 673978870 /nfs/dbraw/zinc/97/88/70/673978870.db2.gz JBJRYYPCBIHSJM-VHSXEESVSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047954599 673978847 /nfs/dbraw/zinc/97/88/47/673978847.db2.gz JBJRYYPCBIHSJM-ZJUUUORDSA-N 1 0 337.380 -2.104 20 0 EAADRO COCCC(=O)N(C)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001047991456 673979776 /nfs/dbraw/zinc/97/97/76/673979776.db2.gz LSSSFBBOFUBINU-STQMWFEESA-N 1 0 331.413 -1.369 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047996874 673980044 /nfs/dbraw/zinc/98/00/44/673980044.db2.gz LTONBUZURNDYRP-NXEZZACHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047996877 673980136 /nfs/dbraw/zinc/98/01/36/673980136.db2.gz LTONBUZURNDYRP-UWVGGRQHSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047996880 673980187 /nfs/dbraw/zinc/98/01/87/673980187.db2.gz LTONBUZURNDYRP-VHSXEESVSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047996883 673980126 /nfs/dbraw/zinc/98/01/26/673980126.db2.gz LTONBUZURNDYRP-ZJUUUORDSA-N 1 0 334.384 -1.123 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047998700 673980486 /nfs/dbraw/zinc/98/04/86/673980486.db2.gz UIIGPHDJJBBHAP-NXEZZACHSA-N 1 0 349.395 -1.411 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047998701 673980382 /nfs/dbraw/zinc/98/03/82/673980382.db2.gz UIIGPHDJJBBHAP-UWVGGRQHSA-N 1 0 349.395 -1.411 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047998702 673980552 /nfs/dbraw/zinc/98/05/52/673980552.db2.gz UIIGPHDJJBBHAP-VHSXEESVSA-N 1 0 349.395 -1.411 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047998703 673980411 /nfs/dbraw/zinc/98/04/11/673980411.db2.gz UIIGPHDJJBBHAP-ZJUUUORDSA-N 1 0 349.395 -1.411 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001048006622 673980482 /nfs/dbraw/zinc/98/04/82/673980482.db2.gz HRCATRRPWTYDDQ-GXSJLCMTSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001048006623 673980616 /nfs/dbraw/zinc/98/06/16/673980616.db2.gz HRCATRRPWTYDDQ-KOLCDFICSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001048006624 673980549 /nfs/dbraw/zinc/98/05/49/673980549.db2.gz HRCATRRPWTYDDQ-MWLCHTKSSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001048006625 673980516 /nfs/dbraw/zinc/98/05/16/673980516.db2.gz HRCATRRPWTYDDQ-ONGXEEELSA-N 1 0 349.395 -1.008 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048006662 673980495 /nfs/dbraw/zinc/98/04/95/673980495.db2.gz IHZMLTZDWGIVPY-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048006663 673980610 /nfs/dbraw/zinc/98/06/10/673980610.db2.gz IHZMLTZDWGIVPY-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048006664 673980541 /nfs/dbraw/zinc/98/05/41/673980541.db2.gz IHZMLTZDWGIVPY-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048006665 673980372 /nfs/dbraw/zinc/98/03/72/673980372.db2.gz IHZMLTZDWGIVPY-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007369 673980586 /nfs/dbraw/zinc/98/05/86/673980586.db2.gz KSLQWMSJDAJBCT-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007370 673980449 /nfs/dbraw/zinc/98/04/49/673980449.db2.gz KSLQWMSJDAJBCT-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007371 673980430 /nfs/dbraw/zinc/98/04/30/673980430.db2.gz KSLQWMSJDAJBCT-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007372 673980466 /nfs/dbraw/zinc/98/04/66/673980466.db2.gz KSLQWMSJDAJBCT-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007992 673980472 /nfs/dbraw/zinc/98/04/72/673980472.db2.gz NJKAOBGUJOSBQU-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007994 673980425 /nfs/dbraw/zinc/98/04/25/673980425.db2.gz NJKAOBGUJOSBQU-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007997 673980404 /nfs/dbraw/zinc/98/04/04/673980404.db2.gz NJKAOBGUJOSBQU-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048007999 673980477 /nfs/dbraw/zinc/98/04/77/673980477.db2.gz NJKAOBGUJOSBQU-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009351 673980626 /nfs/dbraw/zinc/98/06/26/673980626.db2.gz TVSOHGMVBIFWBR-NXEZZACHSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009352 673980391 /nfs/dbraw/zinc/98/03/91/673980391.db2.gz TVSOHGMVBIFWBR-UWVGGRQHSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009353 673980505 /nfs/dbraw/zinc/98/05/05/673980505.db2.gz TVSOHGMVBIFWBR-VHSXEESVSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009354 673980582 /nfs/dbraw/zinc/98/05/82/673980582.db2.gz TVSOHGMVBIFWBR-ZJUUUORDSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009600 673980396 /nfs/dbraw/zinc/98/03/96/673980396.db2.gz UODKZKRPHSPSKO-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009601 673980456 /nfs/dbraw/zinc/98/04/56/673980456.db2.gz UODKZKRPHSPSKO-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009602 673980859 /nfs/dbraw/zinc/98/08/59/673980859.db2.gz UODKZKRPHSPSKO-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048009603 673980884 /nfs/dbraw/zinc/98/08/84/673980884.db2.gz UODKZKRPHSPSKO-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048010356 673980845 /nfs/dbraw/zinc/98/08/45/673980845.db2.gz XNJJJOSDDSKLJR-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048010358 673980749 /nfs/dbraw/zinc/98/07/49/673980749.db2.gz XNJJJOSDDSKLJR-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048010361 673980682 /nfs/dbraw/zinc/98/06/82/673980682.db2.gz XNJJJOSDDSKLJR-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001048010363 673980652 /nfs/dbraw/zinc/98/06/52/673980652.db2.gz XNJJJOSDDSKLJR-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013601 673980726 /nfs/dbraw/zinc/98/07/26/673980726.db2.gz ANCIBBRMDBEZJC-GHMZBOCLSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013603 673980715 /nfs/dbraw/zinc/98/07/15/673980715.db2.gz ANCIBBRMDBEZJC-MNOVXSKESA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013604 673980851 /nfs/dbraw/zinc/98/08/51/673980851.db2.gz ANCIBBRMDBEZJC-QWRGUYRKSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013606 673980695 /nfs/dbraw/zinc/98/06/95/673980695.db2.gz ANCIBBRMDBEZJC-WDEREUQCSA-N 1 0 349.399 -1.488 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013763 673980785 /nfs/dbraw/zinc/98/07/85/673980785.db2.gz BYAUCKJLXYRKPK-GHMZBOCLSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013765 673980813 /nfs/dbraw/zinc/98/08/13/673980813.db2.gz BYAUCKJLXYRKPK-MNOVXSKESA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013767 673980794 /nfs/dbraw/zinc/98/07/94/673980794.db2.gz BYAUCKJLXYRKPK-QWRGUYRKSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013769 673980665 /nfs/dbraw/zinc/98/06/65/673980665.db2.gz BYAUCKJLXYRKPK-WDEREUQCSA-N 1 0 334.388 -1.387 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048024891 673981146 /nfs/dbraw/zinc/98/11/46/673981146.db2.gz DHEBPHKBFIDXIB-NXEZZACHSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048024892 673981169 /nfs/dbraw/zinc/98/11/69/673981169.db2.gz DHEBPHKBFIDXIB-UWVGGRQHSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048024893 673981253 /nfs/dbraw/zinc/98/12/53/673981253.db2.gz DHEBPHKBFIDXIB-VHSXEESVSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048024894 673981105 /nfs/dbraw/zinc/98/11/05/673981105.db2.gz DHEBPHKBFIDXIB-ZJUUUORDSA-N 1 0 334.384 -1.204 20 0 EAADRO COCC(=O)N(C)[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1O ZINC001048037256 673981802 /nfs/dbraw/zinc/98/18/02/673981802.db2.gz GCXMFNJEWGLUMI-KBPBESRZSA-N 1 0 343.424 -1.226 20 0 EAADRO COCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1O ZINC001048045280 673981844 /nfs/dbraw/zinc/98/18/44/673981844.db2.gz AJGYRCAJWGNMHP-IHRRRGAJSA-N 1 0 343.424 -1.369 20 0 EAADRO COCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1O ZINC001048045282 673981752 /nfs/dbraw/zinc/98/17/52/673981752.db2.gz AJGYRCAJWGNMHP-RDBSUJKOSA-N 1 0 343.424 -1.369 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048051555 673982620 /nfs/dbraw/zinc/98/26/20/673982620.db2.gz GEWZIQKEXNTWRH-NXEZZACHSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048051556 673982603 /nfs/dbraw/zinc/98/26/03/673982603.db2.gz GEWZIQKEXNTWRH-UWVGGRQHSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048051558 673982554 /nfs/dbraw/zinc/98/25/54/673982554.db2.gz GEWZIQKEXNTWRH-VHSXEESVSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048051559 673982436 /nfs/dbraw/zinc/98/24/36/673982436.db2.gz GEWZIQKEXNTWRH-ZJUUUORDSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052045 673982557 /nfs/dbraw/zinc/98/25/57/673982557.db2.gz IJZFMHNTKQTIRI-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052046 673982520 /nfs/dbraw/zinc/98/25/20/673982520.db2.gz IJZFMHNTKQTIRI-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052047 673982532 /nfs/dbraw/zinc/98/25/32/673982532.db2.gz IJZFMHNTKQTIRI-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052048 673982609 /nfs/dbraw/zinc/98/26/09/673982609.db2.gz IJZFMHNTKQTIRI-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052342 673982578 /nfs/dbraw/zinc/98/25/78/673982578.db2.gz LJMHVHRSRUQPQN-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052343 673982613 /nfs/dbraw/zinc/98/26/13/673982613.db2.gz LJMHVHRSRUQPQN-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052344 673982528 /nfs/dbraw/zinc/98/25/28/673982528.db2.gz LJMHVHRSRUQPQN-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052345 673982563 /nfs/dbraw/zinc/98/25/63/673982563.db2.gz LJMHVHRSRUQPQN-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001048052779 673982960 /nfs/dbraw/zinc/98/29/60/673982960.db2.gz QCPJCQUIBQOQGF-GXSJLCMTSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001048052780 673982848 /nfs/dbraw/zinc/98/28/48/673982848.db2.gz QCPJCQUIBQOQGF-KOLCDFICSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001048052781 673982829 /nfs/dbraw/zinc/98/28/29/673982829.db2.gz QCPJCQUIBQOQGF-MWLCHTKSSA-N 1 0 349.395 -1.008 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001048052782 673982832 /nfs/dbraw/zinc/98/28/32/673982832.db2.gz QCPJCQUIBQOQGF-ONGXEEELSA-N 1 0 349.395 -1.008 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052807 673982759 /nfs/dbraw/zinc/98/27/59/673982759.db2.gz QLNLRFMAPGCRSW-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052808 673982883 /nfs/dbraw/zinc/98/28/83/673982883.db2.gz QLNLRFMAPGCRSW-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052809 673982879 /nfs/dbraw/zinc/98/28/79/673982879.db2.gz QLNLRFMAPGCRSW-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048052810 673982795 /nfs/dbraw/zinc/98/27/95/673982795.db2.gz QLNLRFMAPGCRSW-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001048053003 673982863 /nfs/dbraw/zinc/98/28/63/673982863.db2.gz ULIWOVPZYXDVKT-GHMZBOCLSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001048053004 673982919 /nfs/dbraw/zinc/98/29/19/673982919.db2.gz ULIWOVPZYXDVKT-MNOVXSKESA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001048053005 673982938 /nfs/dbraw/zinc/98/29/38/673982938.db2.gz ULIWOVPZYXDVKT-QWRGUYRKSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001048053006 673982765 /nfs/dbraw/zinc/98/27/65/673982765.db2.gz ULIWOVPZYXDVKT-WDEREUQCSA-N 1 0 349.395 -1.314 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053323 673982822 /nfs/dbraw/zinc/98/28/22/673982822.db2.gz YWIZQODCEPHRFE-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053324 673982844 /nfs/dbraw/zinc/98/28/44/673982844.db2.gz YWIZQODCEPHRFE-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053325 673982819 /nfs/dbraw/zinc/98/28/19/673982819.db2.gz YWIZQODCEPHRFE-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053326 673982888 /nfs/dbraw/zinc/98/28/88/673982888.db2.gz YWIZQODCEPHRFE-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053375 673982774 /nfs/dbraw/zinc/98/27/74/673982774.db2.gz ZOUVZNAGHLYTRB-GHMZBOCLSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053376 673982872 /nfs/dbraw/zinc/98/28/72/673982872.db2.gz ZOUVZNAGHLYTRB-MNOVXSKESA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053377 673982952 /nfs/dbraw/zinc/98/29/52/673982952.db2.gz ZOUVZNAGHLYTRB-QWRGUYRKSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001048053378 673982825 /nfs/dbraw/zinc/98/28/25/673982825.db2.gz ZOUVZNAGHLYTRB-WDEREUQCSA-N 1 0 349.395 -1.307 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055151 673982922 /nfs/dbraw/zinc/98/29/22/673982922.db2.gz IOEJNCLZPCIFOR-GHMZBOCLSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055152 673982973 /nfs/dbraw/zinc/98/29/73/673982973.db2.gz IOEJNCLZPCIFOR-MNOVXSKESA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055153 673982897 /nfs/dbraw/zinc/98/28/97/673982897.db2.gz IOEJNCLZPCIFOR-QWRGUYRKSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055154 673982943 /nfs/dbraw/zinc/98/29/43/673982943.db2.gz IOEJNCLZPCIFOR-WDEREUQCSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001048057584 673982927 /nfs/dbraw/zinc/98/29/27/673982927.db2.gz UBJSFWIGNCREFZ-GHMZBOCLSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001048057587 673982912 /nfs/dbraw/zinc/98/29/12/673982912.db2.gz UBJSFWIGNCREFZ-MNOVXSKESA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001048057588 673982809 /nfs/dbraw/zinc/98/28/09/673982809.db2.gz UBJSFWIGNCREFZ-QWRGUYRKSA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001048057589 673982908 /nfs/dbraw/zinc/98/29/08/673982908.db2.gz UBJSFWIGNCREFZ-WDEREUQCSA-N 1 0 346.395 -1.056 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001048070498 673983322 /nfs/dbraw/zinc/98/33/22/673983322.db2.gz HCDFEHDFOGRXJO-AGIUHOORSA-N 1 0 328.413 -1.507 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC001048070812 673983266 /nfs/dbraw/zinc/98/32/66/673983266.db2.gz MCNDVNAWTZXXHN-KBPBESRZSA-N 1 0 340.424 -1.506 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001048071126 673983285 /nfs/dbraw/zinc/98/32/85/673983285.db2.gz GOSLQVKKCYOMIJ-GHMZBOCLSA-N 1 0 348.411 -1.112 20 0 EAADRO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001048071129 673983224 /nfs/dbraw/zinc/98/32/24/673983224.db2.gz GOSLQVKKCYOMIJ-MNOVXSKESA-N 1 0 348.411 -1.112 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001048071131 673983298 /nfs/dbraw/zinc/98/32/98/673983298.db2.gz GOSLQVKKCYOMIJ-QWRGUYRKSA-N 1 0 348.411 -1.112 20 0 EAADRO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001048071134 673983173 /nfs/dbraw/zinc/98/31/73/673983173.db2.gz GOSLQVKKCYOMIJ-WDEREUQCSA-N 1 0 348.411 -1.112 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001048071199 673983210 /nfs/dbraw/zinc/98/32/10/673983210.db2.gz RZPQHWAWULLRQH-IHRRRGAJSA-N 1 0 340.424 -1.363 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001048071201 673983259 /nfs/dbraw/zinc/98/32/59/673983259.db2.gz RZPQHWAWULLRQH-RDBSUJKOSA-N 1 0 340.424 -1.363 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048071464 673983349 /nfs/dbraw/zinc/98/33/49/673983349.db2.gz WIUXIZQVCWDTGM-AGIUHOORSA-N 1 0 326.397 -1.753 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001048072858 673983589 /nfs/dbraw/zinc/98/35/89/673983589.db2.gz UCDKPAUTSWGHIU-NXEZZACHSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001048072860 673983523 /nfs/dbraw/zinc/98/35/23/673983523.db2.gz UCDKPAUTSWGHIU-UWVGGRQHSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001048072862 673983665 /nfs/dbraw/zinc/98/36/65/673983665.db2.gz UCDKPAUTSWGHIU-VHSXEESVSA-N 1 0 348.367 -1.213 20 0 EAADRO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001048072863 673983631 /nfs/dbraw/zinc/98/36/31/673983631.db2.gz UCDKPAUTSWGHIU-ZJUUUORDSA-N 1 0 348.367 -1.213 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048078930 673983931 /nfs/dbraw/zinc/98/39/31/673983931.db2.gz WIUXIZQVCWDTGM-AVGNSLFASA-N 1 0 326.397 -1.753 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001048083338 673984149 /nfs/dbraw/zinc/98/41/49/673984149.db2.gz ADANSMCMFTUMQW-STQMWFEESA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC001048083388 673984074 /nfs/dbraw/zinc/98/40/74/673984074.db2.gz BJUXVGALARSURZ-KBPBESRZSA-N 1 0 340.424 -1.363 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048083603 673984198 /nfs/dbraw/zinc/98/41/98/673984198.db2.gz GNRJLSGZLHRGPK-ZZVYKPCYSA-N 1 0 340.424 -1.507 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048083616 673984145 /nfs/dbraw/zinc/98/41/45/673984145.db2.gz GSBCGRVGHKDEKL-STQMWFEESA-N 1 0 344.412 -2.269 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001048083635 673984082 /nfs/dbraw/zinc/98/40/82/673984082.db2.gz HCDFEHDFOGRXJO-AVGNSLFASA-N 1 0 328.413 -1.507 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 ZINC001048083667 673984175 /nfs/dbraw/zinc/98/41/75/673984175.db2.gz ILQBWCQCTUVMHI-STQMWFEESA-N 1 0 328.413 -1.506 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048083698 673984502 /nfs/dbraw/zinc/98/45/02/673984502.db2.gz JMHSARPXTULEOC-IHRRRGAJSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048083699 673984516 /nfs/dbraw/zinc/98/45/16/673984516.db2.gz JMHSARPXTULEOC-RDBSUJKOSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001048083952 673984443 /nfs/dbraw/zinc/98/44/43/673984443.db2.gz KDRNNIZLLHAYTF-UBHSHLNASA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001048083953 673984423 /nfs/dbraw/zinc/98/44/23/673984423.db2.gz KDRNNIZLLHAYTF-XBFCOCLRSA-N 1 0 340.424 -1.506 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001048083960 673984545 /nfs/dbraw/zinc/98/45/45/673984545.db2.gz KUHKFSKPRKJKTG-STQMWFEESA-N 1 0 340.424 -1.363 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048083964 673984410 /nfs/dbraw/zinc/98/44/10/673984410.db2.gz LASBZMQUQHPMAY-STQMWFEESA-N 1 0 326.397 -1.752 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC001048083973 673984493 /nfs/dbraw/zinc/98/44/93/673984493.db2.gz LGVGCUNIANGLQU-KCQAQPDRSA-N 1 0 342.440 -1.261 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC001048083974 673984520 /nfs/dbraw/zinc/98/45/20/673984520.db2.gz LGVGCUNIANGLQU-YDHLFZDLSA-N 1 0 342.440 -1.261 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 ZINC001048084001 673984479 /nfs/dbraw/zinc/98/44/79/673984479.db2.gz MPFKBIMDODRGPY-KBPBESRZSA-N 1 0 342.440 -1.116 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001048084004 673984528 /nfs/dbraw/zinc/98/45/28/673984528.db2.gz MQUUBVGNEAAEMN-STQMWFEESA-N 1 0 338.408 -1.752 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1O ZINC001048084019 673984430 /nfs/dbraw/zinc/98/44/30/673984430.db2.gz NLUQOGCDBZVICI-KCQAQPDRSA-N 1 0 340.424 -1.507 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1O ZINC001048084020 673984497 /nfs/dbraw/zinc/98/44/97/673984497.db2.gz NLUQOGCDBZVICI-YDHLFZDLSA-N 1 0 340.424 -1.507 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001048084160 673984538 /nfs/dbraw/zinc/98/45/38/673984538.db2.gz ONCJMNFVVHFPSM-KBPBESRZSA-N 1 0 342.440 -1.116 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048084292 673984749 /nfs/dbraw/zinc/98/47/49/673984749.db2.gz QYKUJCBSEFLQKW-STQMWFEESA-N 1 0 328.413 -1.506 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 ZINC001048084826 673984760 /nfs/dbraw/zinc/98/47/60/673984760.db2.gz VXMODEKTTQOBQS-STQMWFEESA-N 1 0 328.413 -1.506 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 ZINC001048084833 673984840 /nfs/dbraw/zinc/98/48/40/673984840.db2.gz WHGLZGUSBZMIPU-STQMWFEESA-N 1 0 328.413 -1.506 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048085302 673984764 /nfs/dbraw/zinc/98/47/64/673984764.db2.gz XIXMAHOXBHTYOH-AGIUHOORSA-N 1 0 326.397 -1.896 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048085303 673984811 /nfs/dbraw/zinc/98/48/11/673984811.db2.gz XIXMAHOXBHTYOH-AVGNSLFASA-N 1 0 326.397 -1.896 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001048085307 673984853 /nfs/dbraw/zinc/98/48/53/673984853.db2.gz XLYWGZIJSVONPV-UBHSHLNASA-N 1 0 340.424 -1.363 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001048085308 673984781 /nfs/dbraw/zinc/98/47/81/673984781.db2.gz XLYWGZIJSVONPV-XBFCOCLRSA-N 1 0 340.424 -1.363 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 ZINC001048085318 673984753 /nfs/dbraw/zinc/98/47/53/673984753.db2.gz XSBUZWKFUJGGRL-STQMWFEESA-N 1 0 342.440 -1.117 20 0 EAADRO CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001048085362 673985100 /nfs/dbraw/zinc/98/51/00/673985100.db2.gz ZPIAQFZMHUGKTL-STQMWFEESA-N 1 0 328.413 -1.507 20 0 EAADRO COCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001048088675 673985075 /nfs/dbraw/zinc/98/50/75/673985075.db2.gz ZOJOIEVRRVAHCG-NEPJUHHUSA-N 1 0 338.408 -1.086 20 0 EAADRO COCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001048088676 673984912 /nfs/dbraw/zinc/98/49/12/673984912.db2.gz ZOJOIEVRRVAHCG-NWDGAFQWSA-N 1 0 338.408 -1.086 20 0 EAADRO COCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001048088677 673985031 /nfs/dbraw/zinc/98/50/31/673985031.db2.gz ZOJOIEVRRVAHCG-RYUDHWBXSA-N 1 0 338.408 -1.086 20 0 EAADRO COCC(=O)N1C[C@@H](C[NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC001048088678 673984918 /nfs/dbraw/zinc/98/49/18/673984918.db2.gz ZOJOIEVRRVAHCG-VXGBXAGGSA-N 1 0 338.408 -1.086 20 0 EAADRO CN(C(=O)C1=COCCO1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048122661 673985361 /nfs/dbraw/zinc/98/53/61/673985361.db2.gz BSGCOABXAVRUSC-RYUDHWBXSA-N 1 0 327.381 -1.144 20 0 EAADRO CN(C(=O)c1cc[n+]([O-])cc1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048123003 673985319 /nfs/dbraw/zinc/98/53/19/673985319.db2.gz GQAWJYUGQGWXSE-KBPBESRZSA-N 1 0 336.392 -1.085 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048129142 673985216 /nfs/dbraw/zinc/98/52/16/673985216.db2.gz NFZVAHLADJJEFD-NXEZZACHSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048129143 673985314 /nfs/dbraw/zinc/98/53/14/673985314.db2.gz NFZVAHLADJJEFD-UWVGGRQHSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048129145 673985340 /nfs/dbraw/zinc/98/53/40/673985340.db2.gz NFZVAHLADJJEFD-VHSXEESVSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048129146 673985384 /nfs/dbraw/zinc/98/53/84/673985384.db2.gz NFZVAHLADJJEFD-ZJUUUORDSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048129313 673985389 /nfs/dbraw/zinc/98/53/89/673985389.db2.gz PGAVXHJUDORBOL-GHMZBOCLSA-N 1 0 346.399 -1.121 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048129314 673985355 /nfs/dbraw/zinc/98/53/55/673985355.db2.gz PGAVXHJUDORBOL-MNOVXSKESA-N 1 0 346.399 -1.121 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048129315 673985270 /nfs/dbraw/zinc/98/52/70/673985270.db2.gz PGAVXHJUDORBOL-QWRGUYRKSA-N 1 0 346.399 -1.121 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048129316 673985398 /nfs/dbraw/zinc/98/53/98/673985398.db2.gz PGAVXHJUDORBOL-WDEREUQCSA-N 1 0 346.399 -1.121 20 0 EAADRO CCOCC(=O)N(C)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048130422 673985718 /nfs/dbraw/zinc/98/57/18/673985718.db2.gz UDTMRJAQHNXPEI-STQMWFEESA-N 1 0 331.413 -1.369 20 0 EAADRO CN(C(=O)c1ccc(=O)[nH]n1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048130720 673985594 /nfs/dbraw/zinc/98/55/94/673985594.db2.gz VNSZYXFIXXEHTN-RYUDHWBXSA-N 1 0 337.380 -1.222 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001048134184 673985695 /nfs/dbraw/zinc/98/56/95/673985695.db2.gz MVBMCRZKJBKRPO-NEPJUHHUSA-N 1 0 348.415 -1.046 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001048134186 673985622 /nfs/dbraw/zinc/98/56/22/673985622.db2.gz MVBMCRZKJBKRPO-NWDGAFQWSA-N 1 0 348.415 -1.046 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001048134191 673985548 /nfs/dbraw/zinc/98/55/48/673985548.db2.gz MVBMCRZKJBKRPO-RYUDHWBXSA-N 1 0 348.415 -1.046 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001048134195 673985627 /nfs/dbraw/zinc/98/56/27/673985627.db2.gz MVBMCRZKJBKRPO-VXGBXAGGSA-N 1 0 348.415 -1.046 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001048135534 673985661 /nfs/dbraw/zinc/98/56/61/673985661.db2.gz CHTVCBGIBMAXQM-UBHSHLNASA-N 1 0 342.440 -1.117 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1 ZINC001048135536 673985713 /nfs/dbraw/zinc/98/57/13/673985713.db2.gz CHTVCBGIBMAXQM-XBFCOCLRSA-N 1 0 342.440 -1.117 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048143964 673986297 /nfs/dbraw/zinc/98/62/97/673986297.db2.gz UQHGEYSIPXAJCV-NEPJUHHUSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048143965 673986259 /nfs/dbraw/zinc/98/62/59/673986259.db2.gz UQHGEYSIPXAJCV-NWDGAFQWSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048143966 673986236 /nfs/dbraw/zinc/98/62/36/673986236.db2.gz UQHGEYSIPXAJCV-RYUDHWBXSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048143968 673986327 /nfs/dbraw/zinc/98/63/27/673986327.db2.gz UQHGEYSIPXAJCV-VXGBXAGGSA-N 1 0 348.411 -1.026 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001048158706 673986820 /nfs/dbraw/zinc/98/68/20/673986820.db2.gz MWYQOMJUGCYIDH-UBHSHLNASA-N 1 0 342.440 -1.119 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001048158708 673986866 /nfs/dbraw/zinc/98/68/66/673986866.db2.gz MWYQOMJUGCYIDH-XBFCOCLRSA-N 1 0 342.440 -1.119 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1)[NH+](C)C ZINC001048159482 673987329 /nfs/dbraw/zinc/98/73/29/673987329.db2.gz UNRDUAQAVAHDAH-GHYVTOPFSA-N 1 0 342.440 -1.119 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1)[NH+](C)C ZINC001048159483 673987317 /nfs/dbraw/zinc/98/73/17/673987317.db2.gz UNRDUAQAVAHDAH-ZZVYKPCYSA-N 1 0 342.440 -1.119 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048159887 673987239 /nfs/dbraw/zinc/98/72/39/673987239.db2.gz YINMQNZJJHSKHD-GHYVTOPFSA-N 1 0 340.424 -1.365 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048159889 673987098 /nfs/dbraw/zinc/98/70/98/673987098.db2.gz YINMQNZJJHSKHD-ZZVYKPCYSA-N 1 0 340.424 -1.365 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048161793 673987334 /nfs/dbraw/zinc/98/73/34/673987334.db2.gz ALMUXEIAQRJSAN-NXEZZACHSA-N 1 0 330.414 -1.561 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048161794 673987073 /nfs/dbraw/zinc/98/70/73/673987073.db2.gz ALMUXEIAQRJSAN-UWVGGRQHSA-N 1 0 330.414 -1.561 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048161795 673987266 /nfs/dbraw/zinc/98/72/66/673987266.db2.gz ALMUXEIAQRJSAN-VHSXEESVSA-N 1 0 330.414 -1.561 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048161796 673987219 /nfs/dbraw/zinc/98/72/19/673987219.db2.gz ALMUXEIAQRJSAN-ZJUUUORDSA-N 1 0 330.414 -1.561 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048163966 673987341 /nfs/dbraw/zinc/98/73/41/673987341.db2.gz MJUNBGAKIZPAAG-NXEZZACHSA-N 1 0 345.425 -1.663 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048163969 673987302 /nfs/dbraw/zinc/98/73/02/673987302.db2.gz MJUNBGAKIZPAAG-UWVGGRQHSA-N 1 0 345.425 -1.663 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048163970 673987142 /nfs/dbraw/zinc/98/71/42/673987142.db2.gz MJUNBGAKIZPAAG-VHSXEESVSA-N 1 0 345.425 -1.663 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048163971 673987078 /nfs/dbraw/zinc/98/70/78/673987078.db2.gz MJUNBGAKIZPAAG-ZJUUUORDSA-N 1 0 345.425 -1.663 20 0 EAADRO CN(C(=O)[C@@H]1CCCO1)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048165556 673987212 /nfs/dbraw/zinc/98/72/12/673987212.db2.gz CRBPOYVUSSGUPH-IHRRRGAJSA-N 1 0 343.424 -1.226 20 0 EAADRO CN(C(=O)[C@H]1CCCO1)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048165557 673987201 /nfs/dbraw/zinc/98/72/01/673987201.db2.gz CRBPOYVUSSGUPH-MELADBBJSA-N 1 0 343.424 -1.226 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048166060 673987306 /nfs/dbraw/zinc/98/73/06/673987306.db2.gz IPKLSDMJDGAPRO-UBHSHLNASA-N 1 0 340.424 -1.363 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048166061 673987291 /nfs/dbraw/zinc/98/72/91/673987291.db2.gz IPKLSDMJDGAPRO-XBFCOCLRSA-N 1 0 340.424 -1.363 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001048166462 673987223 /nfs/dbraw/zinc/98/72/23/673987223.db2.gz LFHLRAYGTQKEOM-UBHSHLNASA-N 1 0 342.440 -1.117 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1 ZINC001048166463 673987112 /nfs/dbraw/zinc/98/71/12/673987112.db2.gz LFHLRAYGTQKEOM-XBFCOCLRSA-N 1 0 342.440 -1.117 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001048166966 673987516 /nfs/dbraw/zinc/98/75/16/673987516.db2.gz RNEAENYMEMDNEM-UBHSHLNASA-N 1 0 342.440 -1.117 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1 ZINC001048166967 673987504 /nfs/dbraw/zinc/98/75/04/673987504.db2.gz RNEAENYMEMDNEM-XBFCOCLRSA-N 1 0 342.440 -1.117 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048167120 673987598 /nfs/dbraw/zinc/98/75/98/673987598.db2.gz SAPYZPZMJPNVMO-UBHSHLNASA-N 1 0 342.440 -1.117 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048167121 673987586 /nfs/dbraw/zinc/98/75/86/673987586.db2.gz SAPYZPZMJPNVMO-XBFCOCLRSA-N 1 0 342.440 -1.117 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048167161 673987546 /nfs/dbraw/zinc/98/75/46/673987546.db2.gz UEDNNRYXGTXFFO-DRZSPHRISA-N 1 0 328.413 -1.507 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048167162 673987570 /nfs/dbraw/zinc/98/75/70/673987570.db2.gz UEDNNRYXGTXFFO-WXHSDQCUSA-N 1 0 328.413 -1.507 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1)[NH+](C)C ZINC001048167173 673987590 /nfs/dbraw/zinc/98/75/90/673987590.db2.gz UNRDUAQAVAHDAH-PYJNHQTQSA-N 1 0 342.440 -1.119 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1)[NH+](C)C ZINC001048167174 673987484 /nfs/dbraw/zinc/98/74/84/673987484.db2.gz UNRDUAQAVAHDAH-SAXRGWBVSA-N 1 0 342.440 -1.119 20 0 EAADRO CSCC(=O)N(C)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048170370 673987859 /nfs/dbraw/zinc/98/78/59/673987859.db2.gz GJJXIJHOFCRDIW-RYUDHWBXSA-N 1 0 333.454 -1.042 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001048181463 673987934 /nfs/dbraw/zinc/98/79/34/673987934.db2.gz FLUBVSQICCFSBU-GHMZBOCLSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001048181464 673987836 /nfs/dbraw/zinc/98/78/36/673987836.db2.gz FLUBVSQICCFSBU-MNOVXSKESA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001048181466 673987796 /nfs/dbraw/zinc/98/77/96/673987796.db2.gz FLUBVSQICCFSBU-QWRGUYRKSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001048181468 673987885 /nfs/dbraw/zinc/98/78/85/673987885.db2.gz FLUBVSQICCFSBU-WDEREUQCSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048189893 673988244 /nfs/dbraw/zinc/98/82/44/673988244.db2.gz UKNSKEBIIHKYQA-NXEZZACHSA-N 1 0 346.395 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048189894 673988265 /nfs/dbraw/zinc/98/82/65/673988265.db2.gz UKNSKEBIIHKYQA-UWVGGRQHSA-N 1 0 346.395 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048189895 673988148 /nfs/dbraw/zinc/98/81/48/673988148.db2.gz UKNSKEBIIHKYQA-VHSXEESVSA-N 1 0 346.395 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048189896 673988185 /nfs/dbraw/zinc/98/81/85/673988185.db2.gz UKNSKEBIIHKYQA-ZJUUUORDSA-N 1 0 346.395 -1.022 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001048201085 673988812 /nfs/dbraw/zinc/98/88/12/673988812.db2.gz AXVKRQDUYJOFHG-GMXVVIOVSA-N 1 0 343.428 -1.729 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001048201087 673988806 /nfs/dbraw/zinc/98/88/06/673988806.db2.gz AXVKRQDUYJOFHG-GVXVVHGQSA-N 1 0 343.428 -1.729 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048201192 673988837 /nfs/dbraw/zinc/98/88/37/673988837.db2.gz FTFCFRVNVITDGQ-QWRGUYRKSA-N 1 0 329.401 -1.973 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048201216 673988957 /nfs/dbraw/zinc/98/89/57/673988957.db2.gz FZFZSKOXLFXNID-QWRGUYRKSA-N 1 0 345.400 -2.737 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1 ZINC001048201254 673988941 /nfs/dbraw/zinc/98/89/41/673988941.db2.gz GXSIOKYRFPYYOG-RYUDHWBXSA-N 1 0 343.428 -1.583 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001048201404 673989266 /nfs/dbraw/zinc/98/92/66/673989266.db2.gz JPTXDNBOKMFZNN-SRVKXCTJSA-N 1 0 341.412 -1.831 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001048201405 673989143 /nfs/dbraw/zinc/98/91/43/673989143.db2.gz JPTXDNBOKMFZNN-WOPDTQHZSA-N 1 0 341.412 -1.831 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048201414 673989153 /nfs/dbraw/zinc/98/91/53/673989153.db2.gz JSQFCWOASLQVLO-SRVKXCTJSA-N 1 0 341.412 -1.973 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048201415 673989192 /nfs/dbraw/zinc/98/91/92/673989192.db2.gz JSQFCWOASLQVLO-WOPDTQHZSA-N 1 0 341.412 -1.973 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001048201432 673989198 /nfs/dbraw/zinc/98/91/98/673989198.db2.gz KBKUNQNOOYPKES-DCAQKATOSA-N 1 0 329.401 -1.975 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001048201448 673989216 /nfs/dbraw/zinc/98/92/16/673989216.db2.gz KBKUNQNOOYPKES-VWYCJHECSA-N 1 0 329.401 -1.975 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1 ZINC001048201587 673989578 /nfs/dbraw/zinc/98/95/78/673989578.db2.gz MJWPQHLYZPNJHJ-QWRGUYRKSA-N 1 0 329.401 -1.973 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001048201594 673989521 /nfs/dbraw/zinc/98/95/21/673989521.db2.gz MXGUIJVXEXUVPR-QWRGUYRKSA-N 1 0 339.396 -2.219 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1 ZINC001048201599 673989433 /nfs/dbraw/zinc/98/94/33/673989433.db2.gz NGFKGLNUTNQVEN-QWRGUYRKSA-N 1 0 329.401 -1.973 20 0 EAADRO CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O 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ZINC001048229635 673991630 /nfs/dbraw/zinc/99/16/30/673991630.db2.gz IORPEDJEFSFORK-NXEZZACHSA-N 1 0 335.368 -1.000 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048229636 673991801 /nfs/dbraw/zinc/99/18/01/673991801.db2.gz IORPEDJEFSFORK-UWVGGRQHSA-N 1 0 335.368 -1.000 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048229637 673991929 /nfs/dbraw/zinc/99/19/29/673991929.db2.gz IORPEDJEFSFORK-VHSXEESVSA-N 1 0 335.368 -1.000 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048229638 673991659 /nfs/dbraw/zinc/99/16/59/673991659.db2.gz IORPEDJEFSFORK-ZJUUUORDSA-N 1 0 335.368 -1.000 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001048230543 673991820 /nfs/dbraw/zinc/99/18/20/673991820.db2.gz SZZGDHJHMIHEIO-CMPLNLGQSA-N 1 0 335.412 -1.128 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001048230544 673991903 /nfs/dbraw/zinc/99/19/03/673991903.db2.gz SZZGDHJHMIHEIO-JQWIXIFHSA-N 1 0 335.412 -1.128 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001048230545 673991880 /nfs/dbraw/zinc/99/18/80/673991880.db2.gz SZZGDHJHMIHEIO-PWSUYJOCSA-N 1 0 335.412 -1.128 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001048230546 673991746 /nfs/dbraw/zinc/99/17/46/673991746.db2.gz SZZGDHJHMIHEIO-ZYHUDNBSSA-N 1 0 335.412 -1.128 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048231902 673992188 /nfs/dbraw/zinc/99/21/88/673992188.db2.gz FTSFEWNZOMCOGQ-NEPJUHHUSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048231905 673992036 /nfs/dbraw/zinc/99/20/36/673992036.db2.gz FTSFEWNZOMCOGQ-NWDGAFQWSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048231908 673992297 /nfs/dbraw/zinc/99/22/97/673992297.db2.gz FTSFEWNZOMCOGQ-RYUDHWBXSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048231912 673992031 /nfs/dbraw/zinc/99/20/31/673992031.db2.gz FTSFEWNZOMCOGQ-VXGBXAGGSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048240870 673992137 /nfs/dbraw/zinc/99/21/37/673992137.db2.gz XVNPXKAZJUGVSN-NXEZZACHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048240871 673992089 /nfs/dbraw/zinc/99/20/89/673992089.db2.gz XVNPXKAZJUGVSN-UWVGGRQHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048240872 673992057 /nfs/dbraw/zinc/99/20/57/673992057.db2.gz XVNPXKAZJUGVSN-VHSXEESVSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048240873 673992285 /nfs/dbraw/zinc/99/22/85/673992285.db2.gz XVNPXKAZJUGVSN-ZJUUUORDSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048243331 673992117 /nfs/dbraw/zinc/99/21/17/673992117.db2.gz VGUAONDHBIFISL-NXEZZACHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048243340 673992251 /nfs/dbraw/zinc/99/22/51/673992251.db2.gz VGUAONDHBIFISL-UWVGGRQHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048243348 673992303 /nfs/dbraw/zinc/99/23/03/673992303.db2.gz VGUAONDHBIFISL-VHSXEESVSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048243361 673992172 /nfs/dbraw/zinc/99/21/72/673992172.db2.gz VGUAONDHBIFISL-ZJUUUORDSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048248971 673992551 /nfs/dbraw/zinc/99/25/51/673992551.db2.gz OUXQJPVWXQZVLG-NXEZZACHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048248972 673992450 /nfs/dbraw/zinc/99/24/50/673992450.db2.gz OUXQJPVWXQZVLG-UWVGGRQHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048248973 673992484 /nfs/dbraw/zinc/99/24/84/673992484.db2.gz OUXQJPVWXQZVLG-VHSXEESVSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048248974 673992608 /nfs/dbraw/zinc/99/26/08/673992608.db2.gz OUXQJPVWXQZVLG-ZJUUUORDSA-N 1 0 334.384 -1.265 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001048253504 673992618 /nfs/dbraw/zinc/99/26/18/673992618.db2.gz BGTNRTIUSSUFTC-NEPJUHHUSA-N 1 0 348.415 -1.046 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001048253505 673992462 /nfs/dbraw/zinc/99/24/62/673992462.db2.gz BGTNRTIUSSUFTC-NWDGAFQWSA-N 1 0 348.415 -1.046 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001048253506 673992648 /nfs/dbraw/zinc/99/26/48/673992648.db2.gz BGTNRTIUSSUFTC-RYUDHWBXSA-N 1 0 348.415 -1.046 20 0 EAADRO CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001048253507 673992589 /nfs/dbraw/zinc/99/25/89/673992589.db2.gz BGTNRTIUSSUFTC-VXGBXAGGSA-N 1 0 348.415 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048256820 673992546 /nfs/dbraw/zinc/99/25/46/673992546.db2.gz QRTIXOJMCIOIQG-GHMZBOCLSA-N 1 0 346.399 -1.121 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048256821 673992638 /nfs/dbraw/zinc/99/26/38/673992638.db2.gz QRTIXOJMCIOIQG-MNOVXSKESA-N 1 0 346.399 -1.121 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048256822 673992434 /nfs/dbraw/zinc/99/24/34/673992434.db2.gz QRTIXOJMCIOIQG-QWRGUYRKSA-N 1 0 346.399 -1.121 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001048256823 673992537 /nfs/dbraw/zinc/99/25/37/673992537.db2.gz QRTIXOJMCIOIQG-WDEREUQCSA-N 1 0 346.399 -1.121 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048256982 673992614 /nfs/dbraw/zinc/99/26/14/673992614.db2.gz SFJWCAKSWHMIIG-NXEZZACHSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048256983 673992442 /nfs/dbraw/zinc/99/24/42/673992442.db2.gz SFJWCAKSWHMIIG-UWVGGRQHSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048256985 673992525 /nfs/dbraw/zinc/99/25/25/673992525.db2.gz SFJWCAKSWHMIIG-VHSXEESVSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048256986 673992510 /nfs/dbraw/zinc/99/25/10/673992510.db2.gz SFJWCAKSWHMIIG-ZJUUUORDSA-N 1 0 335.372 -2.021 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048258866 673992627 /nfs/dbraw/zinc/99/26/27/673992627.db2.gz KWSGSSMAPXAQGP-NXEZZACHSA-N 1 0 348.367 -1.356 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C[NH2+]Cc1cnon1 ZINC001048258868 673992469 /nfs/dbraw/zinc/99/24/69/673992469.db2.gz KWSGSSMAPXAQGP-UWVGGRQHSA-N 1 0 348.367 -1.356 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048258869 673992521 /nfs/dbraw/zinc/99/25/21/673992521.db2.gz KWSGSSMAPXAQGP-VHSXEESVSA-N 1 0 348.367 -1.356 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C[NH2+]Cc1cnon1 ZINC001048258870 673992653 /nfs/dbraw/zinc/99/26/53/673992653.db2.gz KWSGSSMAPXAQGP-ZJUUUORDSA-N 1 0 348.367 -1.356 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]1 ZINC001048259522 673992424 /nfs/dbraw/zinc/99/24/24/673992424.db2.gz SKCICFIKJYYBND-GXSJLCMTSA-N 1 0 348.411 -1.038 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]1 ZINC001048259523 673992631 /nfs/dbraw/zinc/99/26/31/673992631.db2.gz SKCICFIKJYYBND-KOLCDFICSA-N 1 0 348.411 -1.038 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)[nH]1 ZINC001048259524 673992445 /nfs/dbraw/zinc/99/24/45/673992445.db2.gz SKCICFIKJYYBND-MWLCHTKSSA-N 1 0 348.411 -1.038 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]1 ZINC001048259525 673992643 /nfs/dbraw/zinc/99/26/43/673992643.db2.gz SKCICFIKJYYBND-ONGXEEELSA-N 1 0 348.411 -1.038 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048264461 673992515 /nfs/dbraw/zinc/99/25/15/673992515.db2.gz BSKXZAKCKUZQFX-NXEZZACHSA-N 1 0 342.425 -1.561 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048264462 673992568 /nfs/dbraw/zinc/99/25/68/673992568.db2.gz BSKXZAKCKUZQFX-UWVGGRQHSA-N 1 0 342.425 -1.561 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048264463 673992623 /nfs/dbraw/zinc/99/26/23/673992623.db2.gz BSKXZAKCKUZQFX-VHSXEESVSA-N 1 0 342.425 -1.561 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048264464 673992961 /nfs/dbraw/zinc/99/29/61/673992961.db2.gz BSKXZAKCKUZQFX-ZJUUUORDSA-N 1 0 342.425 -1.561 20 0 EAADRO CN(C(=O)CCn1cncn1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048269419 673992858 /nfs/dbraw/zinc/99/28/58/673992858.db2.gz HKIREJAGNXCTHA-STQMWFEESA-N 1 0 338.412 -1.350 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048275233 673992812 /nfs/dbraw/zinc/99/28/12/673992812.db2.gz OWEFXEOQUDWYIV-GHMZBOCLSA-N 1 0 334.384 -1.416 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048275234 673992940 /nfs/dbraw/zinc/99/29/40/673992940.db2.gz OWEFXEOQUDWYIV-MNOVXSKESA-N 1 0 334.384 -1.416 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048275235 673992970 /nfs/dbraw/zinc/99/29/70/673992970.db2.gz OWEFXEOQUDWYIV-QWRGUYRKSA-N 1 0 334.384 -1.416 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048275236 673992771 /nfs/dbraw/zinc/99/27/71/673992771.db2.gz OWEFXEOQUDWYIV-WDEREUQCSA-N 1 0 334.384 -1.416 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048282682 673993405 /nfs/dbraw/zinc/99/34/05/673993405.db2.gz DMTYYDQGNZSHRY-GHMZBOCLSA-N 1 0 346.395 -1.198 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048282683 673993188 /nfs/dbraw/zinc/99/31/88/673993188.db2.gz DMTYYDQGNZSHRY-MNOVXSKESA-N 1 0 346.395 -1.198 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048282685 673993166 /nfs/dbraw/zinc/99/31/66/673993166.db2.gz DMTYYDQGNZSHRY-QWRGUYRKSA-N 1 0 346.395 -1.198 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048282687 673993343 /nfs/dbraw/zinc/99/33/43/673993343.db2.gz DMTYYDQGNZSHRY-WDEREUQCSA-N 1 0 346.395 -1.198 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048283736 673993282 /nfs/dbraw/zinc/99/32/82/673993282.db2.gz QAVQQUPBEIXZKC-NXEZZACHSA-N 1 0 338.412 -1.196 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048283737 673993138 /nfs/dbraw/zinc/99/31/38/673993138.db2.gz QAVQQUPBEIXZKC-UWVGGRQHSA-N 1 0 338.412 -1.196 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048283738 673993177 /nfs/dbraw/zinc/99/31/77/673993177.db2.gz QAVQQUPBEIXZKC-VHSXEESVSA-N 1 0 338.412 -1.196 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048283739 673993225 /nfs/dbraw/zinc/99/32/25/673993225.db2.gz QAVQQUPBEIXZKC-ZJUUUORDSA-N 1 0 338.412 -1.196 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048294024 673993358 /nfs/dbraw/zinc/99/33/58/673993358.db2.gz BDZPFQJCXZTETE-GHMZBOCLSA-N 1 0 335.368 -1.151 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cnon1 ZINC001048294025 673993422 /nfs/dbraw/zinc/99/34/22/673993422.db2.gz BDZPFQJCXZTETE-MNOVXSKESA-N 1 0 335.368 -1.151 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cnon1 ZINC001048294026 673993214 /nfs/dbraw/zinc/99/32/14/673993214.db2.gz BDZPFQJCXZTETE-QWRGUYRKSA-N 1 0 335.368 -1.151 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048294027 673993319 /nfs/dbraw/zinc/99/33/19/673993319.db2.gz BDZPFQJCXZTETE-WDEREUQCSA-N 1 0 335.368 -1.151 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048294594 673993397 /nfs/dbraw/zinc/99/33/97/673993397.db2.gz HOMPLQLBUKLIDP-GHMZBOCLSA-N 1 0 349.399 -2.010 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048294595 673993247 /nfs/dbraw/zinc/99/32/47/673993247.db2.gz HOMPLQLBUKLIDP-MNOVXSKESA-N 1 0 349.399 -2.010 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048294596 673993133 /nfs/dbraw/zinc/99/31/33/673993133.db2.gz HOMPLQLBUKLIDP-QWRGUYRKSA-N 1 0 349.399 -2.010 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048294597 673993290 /nfs/dbraw/zinc/99/32/90/673993290.db2.gz HOMPLQLBUKLIDP-WDEREUQCSA-N 1 0 349.399 -2.010 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048294602 673993379 /nfs/dbraw/zinc/99/33/79/673993379.db2.gz HXBJIHYFVOBRFM-NEPJUHHUSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048294603 673993153 /nfs/dbraw/zinc/99/31/53/673993153.db2.gz HXBJIHYFVOBRFM-NWDGAFQWSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048294604 673993255 /nfs/dbraw/zinc/99/32/55/673993255.db2.gz HXBJIHYFVOBRFM-RYUDHWBXSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048294605 673993182 /nfs/dbraw/zinc/99/31/82/673993182.db2.gz HXBJIHYFVOBRFM-VXGBXAGGSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1ncnn1C ZINC001048295708 673993162 /nfs/dbraw/zinc/99/31/62/673993162.db2.gz PLFFNIYIFQPNLZ-NEPJUHHUSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001048295709 673993311 /nfs/dbraw/zinc/99/33/11/673993311.db2.gz PLFFNIYIFQPNLZ-NWDGAFQWSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1ncnn1C ZINC001048295710 673993517 /nfs/dbraw/zinc/99/35/17/673993517.db2.gz PLFFNIYIFQPNLZ-RYUDHWBXSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001048295711 673993628 /nfs/dbraw/zinc/99/36/28/673993628.db2.gz PLFFNIYIFQPNLZ-VXGBXAGGSA-N 1 0 348.411 -1.405 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C)[nH]1 ZINC001048295748 673993691 /nfs/dbraw/zinc/99/36/91/673993691.db2.gz PTBYQMVHCLCKOT-CMPLNLGQSA-N 1 0 348.411 -1.107 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C)[nH]1 ZINC001048295749 673993590 /nfs/dbraw/zinc/99/35/90/673993590.db2.gz PTBYQMVHCLCKOT-JQWIXIFHSA-N 1 0 348.411 -1.107 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C)[nH]1 ZINC001048295750 673993617 /nfs/dbraw/zinc/99/36/17/673993617.db2.gz PTBYQMVHCLCKOT-PWSUYJOCSA-N 1 0 348.411 -1.107 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C)[nH]1 ZINC001048295751 673993648 /nfs/dbraw/zinc/99/36/48/673993648.db2.gz PTBYQMVHCLCKOT-ZYHUDNBSSA-N 1 0 348.411 -1.107 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048295845 673993640 /nfs/dbraw/zinc/99/36/40/673993640.db2.gz QUMLDMUATTYLTM-NEPJUHHUSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048295846 673993682 /nfs/dbraw/zinc/99/36/82/673993682.db2.gz QUMLDMUATTYLTM-NWDGAFQWSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048295847 673993539 /nfs/dbraw/zinc/99/35/39/673993539.db2.gz QUMLDMUATTYLTM-RYUDHWBXSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048295849 673993661 /nfs/dbraw/zinc/99/36/61/673993661.db2.gz QUMLDMUATTYLTM-VXGBXAGGSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1nncn1C ZINC001048296433 673993596 /nfs/dbraw/zinc/99/35/96/673993596.db2.gz VFNZWRRQJIJANK-NEPJUHHUSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1nncn1C ZINC001048296434 673993601 /nfs/dbraw/zinc/99/36/01/673993601.db2.gz VFNZWRRQJIJANK-NWDGAFQWSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1nncn1C ZINC001048296435 673993698 /nfs/dbraw/zinc/99/36/98/673993698.db2.gz VFNZWRRQJIJANK-RYUDHWBXSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1nncn1C ZINC001048296436 673993553 /nfs/dbraw/zinc/99/35/53/673993553.db2.gz VFNZWRRQJIJANK-VXGBXAGGSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048297564 673993503 /nfs/dbraw/zinc/99/35/03/673993503.db2.gz YZCWCBBAJPCJDW-NEPJUHHUSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048297565 673993634 /nfs/dbraw/zinc/99/36/34/673993634.db2.gz YZCWCBBAJPCJDW-NWDGAFQWSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048297566 673993666 /nfs/dbraw/zinc/99/36/66/673993666.db2.gz YZCWCBBAJPCJDW-RYUDHWBXSA-N 1 0 348.411 -1.405 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048297567 673993636 /nfs/dbraw/zinc/99/36/36/673993636.db2.gz YZCWCBBAJPCJDW-VXGBXAGGSA-N 1 0 348.411 -1.405 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048309148 673994205 /nfs/dbraw/zinc/99/42/05/673994205.db2.gz GLPNQWGAZKFOER-STQMWFEESA-N 1 0 328.413 -1.554 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)=O)C1 ZINC001048309421 673994206 /nfs/dbraw/zinc/99/42/06/673994206.db2.gz JMWAECFPDSQTPI-KBPBESRZSA-N 1 0 342.440 -1.163 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048309433 673994228 /nfs/dbraw/zinc/99/42/28/673994228.db2.gz JUUBOWCCZBIGMS-IHRRRGAJSA-N 1 0 340.424 -1.411 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048309434 673994251 /nfs/dbraw/zinc/99/42/51/673994251.db2.gz JUUBOWCCZBIGMS-RDBSUJKOSA-N 1 0 340.424 -1.411 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048309480 673994414 /nfs/dbraw/zinc/99/44/14/673994414.db2.gz LSAWIYCLKDMKJY-IHRRRGAJSA-N 1 0 340.424 -1.554 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048309481 673994448 /nfs/dbraw/zinc/99/44/48/673994448.db2.gz LSAWIYCLKDMKJY-RDBSUJKOSA-N 1 0 340.424 -1.554 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048309503 673994417 /nfs/dbraw/zinc/99/44/17/673994417.db2.gz MMNMOLIXZPHDEF-KBPBESRZSA-N 1 0 342.440 -1.163 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048309782 673994590 /nfs/dbraw/zinc/99/45/90/673994590.db2.gz NHPRFHQNJSSPNE-KBPBESRZSA-N 1 0 340.424 -1.409 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)=O)C1 ZINC001048309794 673994474 /nfs/dbraw/zinc/99/44/74/673994474.db2.gz OALLHUSUOAWATA-KBPBESRZSA-N 1 0 342.440 -1.163 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001048309801 673994487 /nfs/dbraw/zinc/99/44/87/673994487.db2.gz OOIXNIHNDCMXGL-IHRRRGAJSA-N 1 0 342.440 -1.165 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)=O)C1)[NH+](C)C ZINC001048309802 673994584 /nfs/dbraw/zinc/99/45/84/673994584.db2.gz OOIXNIHNDCMXGL-RDBSUJKOSA-N 1 0 342.440 -1.165 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001048310291 673994463 /nfs/dbraw/zinc/99/44/63/673994463.db2.gz YTUFHYFIBJIASC-KBPBESRZSA-N 1 0 342.440 -1.165 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)=O)C1 ZINC001048310302 673994579 /nfs/dbraw/zinc/99/45/79/673994579.db2.gz ZAHRQBVLOVUDBQ-KBPBESRZSA-N 1 0 342.440 -1.163 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001048320903 673995011 /nfs/dbraw/zinc/99/50/11/673995011.db2.gz IOCMZYPFQZFRJF-IHRRRGAJSA-N 1 0 343.424 -1.228 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001048320904 673994967 /nfs/dbraw/zinc/99/49/67/673994967.db2.gz IOCMZYPFQZFRJF-MELADBBJSA-N 1 0 343.424 -1.228 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001048321108 673994940 /nfs/dbraw/zinc/99/49/40/673994940.db2.gz JNRJVSFPKGPCOO-IHRRRGAJSA-N 1 0 343.424 -1.226 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001048321109 673995003 /nfs/dbraw/zinc/99/50/03/673995003.db2.gz JNRJVSFPKGPCOO-MELADBBJSA-N 1 0 343.424 -1.226 20 0 EAADRO CN(C(=O)[C@@H]1COCCO1)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048321786 673994954 /nfs/dbraw/zinc/99/49/54/673994954.db2.gz UARJUCJPCWCMBV-IHRRRGAJSA-N 1 0 343.424 -1.226 20 0 EAADRO CN(C(=O)[C@H]1COCCO1)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048321788 673994922 /nfs/dbraw/zinc/99/49/22/673994922.db2.gz UARJUCJPCWCMBV-MELADBBJSA-N 1 0 343.424 -1.226 20 0 EAADRO CN(C(=O)[C@@H]1COCCO1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048322073 673994742 /nfs/dbraw/zinc/99/47/42/673994742.db2.gz WSNBXYWFLISOFY-AVGNSLFASA-N 1 0 329.397 -1.616 20 0 EAADRO CN(C(=O)[C@H]1COCCO1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048322074 673994816 /nfs/dbraw/zinc/99/48/16/673994816.db2.gz WSNBXYWFLISOFY-RWMBFGLXSA-N 1 0 329.397 -1.616 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048322578 673994766 /nfs/dbraw/zinc/99/47/66/673994766.db2.gz PTVSKISPSUKSBN-GHMZBOCLSA-N 1 0 346.395 -1.198 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048322579 673994885 /nfs/dbraw/zinc/99/48/85/673994885.db2.gz PTVSKISPSUKSBN-MNOVXSKESA-N 1 0 346.395 -1.198 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048322580 673994958 /nfs/dbraw/zinc/99/49/58/673994958.db2.gz PTVSKISPSUKSBN-QWRGUYRKSA-N 1 0 346.395 -1.198 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048322581 673994986 /nfs/dbraw/zinc/99/49/86/673994986.db2.gz PTVSKISPSUKSBN-WDEREUQCSA-N 1 0 346.395 -1.198 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001048327967 673995195 /nfs/dbraw/zinc/99/51/95/673995195.db2.gz TUBZQPAIQKKVBF-IHRRRGAJSA-N 1 0 343.424 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001048327968 673995215 /nfs/dbraw/zinc/99/52/15/673995215.db2.gz TUBZQPAIQKKVBF-MELADBBJSA-N 1 0 343.424 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001048327975 673995375 /nfs/dbraw/zinc/99/53/75/673995375.db2.gz UBPRCRDJEHDLBE-IHRRRGAJSA-N 1 0 343.424 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001048327976 673995277 /nfs/dbraw/zinc/99/52/77/673995277.db2.gz UBPRCRDJEHDLBE-MELADBBJSA-N 1 0 343.424 -1.226 20 0 EAADRO CN(C(=O)c1cc[nH]n1)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048327988 673995340 /nfs/dbraw/zinc/99/53/40/673995340.db2.gz UKFNOPHJHSCKEN-STQMWFEESA-N 1 0 339.396 -1.368 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1cnon1 ZINC001048337166 673995705 /nfs/dbraw/zinc/99/57/05/673995705.db2.gz BNGIQKQIRATJLP-NEPJUHHUSA-N 1 0 336.396 -1.315 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048337167 673995683 /nfs/dbraw/zinc/99/56/83/673995683.db2.gz BNGIQKQIRATJLP-NWDGAFQWSA-N 1 0 336.396 -1.315 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1cnon1 ZINC001048337168 673995633 /nfs/dbraw/zinc/99/56/33/673995633.db2.gz BNGIQKQIRATJLP-RYUDHWBXSA-N 1 0 336.396 -1.315 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048337169 673995629 /nfs/dbraw/zinc/99/56/29/673995629.db2.gz BNGIQKQIRATJLP-VXGBXAGGSA-N 1 0 336.396 -1.315 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048338082 673995716 /nfs/dbraw/zinc/99/57/16/673995716.db2.gz HVJAUOMHHCHXBF-CHWSQXEVSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048338094 673995730 /nfs/dbraw/zinc/99/57/30/673995730.db2.gz HVJAUOMHHCHXBF-OLZOCXBDSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048338097 673995658 /nfs/dbraw/zinc/99/56/58/673995658.db2.gz HVJAUOMHHCHXBF-QWHCGFSZSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001048338100 673995605 /nfs/dbraw/zinc/99/56/05/673995605.db2.gz HVJAUOMHHCHXBF-STQMWFEESA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001048338103 673995695 /nfs/dbraw/zinc/99/56/95/673995695.db2.gz HXTDMNHUXUDUPJ-CHWSQXEVSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1ncnn1C ZINC001048338106 673995773 /nfs/dbraw/zinc/99/57/73/673995773.db2.gz HXTDMNHUXUDUPJ-OLZOCXBDSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001048338109 673995662 /nfs/dbraw/zinc/99/56/62/673995662.db2.gz HXTDMNHUXUDUPJ-QWHCGFSZSA-N 1 0 349.439 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ZINC001048338311 673995563 /nfs/dbraw/zinc/99/55/63/673995563.db2.gz ISQYCUVUHIZSAJ-AAEUAGOBSA-N 1 0 349.439 -1.271 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)[nH]1 ZINC001048338312 673995762 /nfs/dbraw/zinc/99/57/62/673995762.db2.gz ISQYCUVUHIZSAJ-DGCLKSJQSA-N 1 0 349.439 -1.271 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C)[nH]1 ZINC001048338313 673995783 /nfs/dbraw/zinc/99/57/83/673995783.db2.gz ISQYCUVUHIZSAJ-WCQYABFASA-N 1 0 349.439 -1.271 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)[nH]1 ZINC001048338314 673995613 /nfs/dbraw/zinc/99/56/13/673995613.db2.gz ISQYCUVUHIZSAJ-YPMHNXCESA-N 1 0 349.439 -1.271 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048338710 673995558 /nfs/dbraw/zinc/99/55/58/673995558.db2.gz MHOMCSFWMGFBOT-CHWSQXEVSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048338712 673995769 /nfs/dbraw/zinc/99/57/69/673995769.db2.gz MHOMCSFWMGFBOT-OLZOCXBDSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048338714 673995621 /nfs/dbraw/zinc/99/56/21/673995621.db2.gz MHOMCSFWMGFBOT-QWHCGFSZSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048338716 673995758 /nfs/dbraw/zinc/99/57/58/673995758.db2.gz MHOMCSFWMGFBOT-STQMWFEESA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001048340189 673995626 /nfs/dbraw/zinc/99/56/26/673995626.db2.gz PRRITBMAAFWIBA-CHWSQXEVSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1nncn1C ZINC001048340190 673995593 /nfs/dbraw/zinc/99/55/93/673995593.db2.gz PRRITBMAAFWIBA-OLZOCXBDSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001048340191 673995726 /nfs/dbraw/zinc/99/57/26/673995726.db2.gz PRRITBMAAFWIBA-QWHCGFSZSA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]Cc1nncn1C ZINC001048340192 673995601 /nfs/dbraw/zinc/99/56/01/673995601.db2.gz PRRITBMAAFWIBA-STQMWFEESA-N 1 0 349.439 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048346075 673996049 /nfs/dbraw/zinc/99/60/49/673996049.db2.gz YPJMWZJRWACQQV-BDAKNGLRSA-N 1 0 335.372 -1.870 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048346077 673996030 /nfs/dbraw/zinc/99/60/30/673996030.db2.gz YPJMWZJRWACQQV-DTWKUNHWSA-N 1 0 335.372 -1.870 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048346079 673996054 /nfs/dbraw/zinc/99/60/54/673996054.db2.gz YPJMWZJRWACQQV-IUCAKERBSA-N 1 0 335.372 -1.870 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048346081 673995917 /nfs/dbraw/zinc/99/59/17/673995917.db2.gz YPJMWZJRWACQQV-RKDXNWHRSA-N 1 0 335.372 -1.870 20 0 EAADRO CN(C(=O)c1cn[nH]c1)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048349788 673996331 /nfs/dbraw/zinc/99/63/31/673996331.db2.gz JZKGDTJPCKABKV-STQMWFEESA-N 1 0 339.396 -1.368 20 0 EAADRO COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001048360350 673996539 /nfs/dbraw/zinc/99/65/39/673996539.db2.gz BOKVBFHNKCHLPN-NXEZZACHSA-N 1 0 325.369 -1.072 20 0 EAADRO COCCc1noc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001048360353 673996518 /nfs/dbraw/zinc/99/65/18/673996518.db2.gz BOKVBFHNKCHLPN-UWVGGRQHSA-N 1 0 325.369 -1.072 20 0 EAADRO COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001048360355 673996648 /nfs/dbraw/zinc/99/66/48/673996648.db2.gz BOKVBFHNKCHLPN-VHSXEESVSA-N 1 0 325.369 -1.072 20 0 EAADRO COCCc1noc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001048360356 673996635 /nfs/dbraw/zinc/99/66/35/673996635.db2.gz BOKVBFHNKCHLPN-ZJUUUORDSA-N 1 0 325.369 -1.072 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048360504 673996632 /nfs/dbraw/zinc/99/66/32/673996632.db2.gz WMGPLVKETWGDFD-NXEZZACHSA-N 1 0 332.368 -1.209 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048360506 673996566 /nfs/dbraw/zinc/99/65/66/673996566.db2.gz WMGPLVKETWGDFD-UWVGGRQHSA-N 1 0 332.368 -1.209 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048360508 673996613 /nfs/dbraw/zinc/99/66/13/673996613.db2.gz WMGPLVKETWGDFD-VHSXEESVSA-N 1 0 332.368 -1.209 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048360509 673996588 /nfs/dbraw/zinc/99/65/88/673996588.db2.gz WMGPLVKETWGDFD-ZJUUUORDSA-N 1 0 332.368 -1.209 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048360779 673996556 /nfs/dbraw/zinc/99/65/56/673996556.db2.gz XKGWTOYCIZJOTB-NXEZZACHSA-N 1 0 347.379 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048360784 673996640 /nfs/dbraw/zinc/99/66/40/673996640.db2.gz XKGWTOYCIZJOTB-UWVGGRQHSA-N 1 0 347.379 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048360787 673996593 /nfs/dbraw/zinc/99/65/93/673996593.db2.gz XKGWTOYCIZJOTB-VHSXEESVSA-N 1 0 347.379 -1.310 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048360790 673996599 /nfs/dbraw/zinc/99/65/99/673996599.db2.gz XKGWTOYCIZJOTB-ZJUUUORDSA-N 1 0 347.379 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001048361225 673996597 /nfs/dbraw/zinc/99/65/97/673996597.db2.gz AJCLERDEFHYLLY-CMPLNLGQSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001048361226 673996628 /nfs/dbraw/zinc/99/66/28/673996628.db2.gz AJCLERDEFHYLLY-JQWIXIFHSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001048361227 673996624 /nfs/dbraw/zinc/99/66/24/673996624.db2.gz AJCLERDEFHYLLY-PWSUYJOCSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001048361228 673996586 /nfs/dbraw/zinc/99/65/86/673996586.db2.gz AJCLERDEFHYLLY-ZYHUDNBSSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001048365276 673996990 /nfs/dbraw/zinc/99/69/90/673996990.db2.gz DMHDAASVRFHFLU-NXEZZACHSA-N 1 0 337.380 -2.247 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001048365277 673996991 /nfs/dbraw/zinc/99/69/91/673996991.db2.gz DMHDAASVRFHFLU-UWVGGRQHSA-N 1 0 337.380 -2.247 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001048365278 673996960 /nfs/dbraw/zinc/99/69/60/673996960.db2.gz DMHDAASVRFHFLU-VHSXEESVSA-N 1 0 337.380 -2.247 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001048365279 673996851 /nfs/dbraw/zinc/99/68/51/673996851.db2.gz DMHDAASVRFHFLU-ZJUUUORDSA-N 1 0 337.380 -2.247 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001048366619 673997252 /nfs/dbraw/zinc/99/72/52/673997252.db2.gz PXQSVVWOKBNRNH-HTQZYQBOSA-N 1 0 349.317 -1.095 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001048366623 673997163 /nfs/dbraw/zinc/99/71/63/673997163.db2.gz PXQSVVWOKBNRNH-JGVFFNPUSA-N 1 0 349.317 -1.095 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001048366624 673997238 /nfs/dbraw/zinc/99/72/38/673997238.db2.gz PXQSVVWOKBNRNH-SFYZADRCSA-N 1 0 349.317 -1.095 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001048366625 673997061 /nfs/dbraw/zinc/99/70/61/673997061.db2.gz PXQSVVWOKBNRNH-YUMQZZPRSA-N 1 0 349.317 -1.095 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001048367378 673997106 /nfs/dbraw/zinc/99/71/06/673997106.db2.gz USSGKSNYKWQQDU-BDAKNGLRSA-N 1 0 347.379 -1.262 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001048367379 673997140 /nfs/dbraw/zinc/99/71/40/673997140.db2.gz USSGKSNYKWQQDU-DTWKUNHWSA-N 1 0 347.379 -1.262 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001048367380 673997192 /nfs/dbraw/zinc/99/71/92/673997192.db2.gz USSGKSNYKWQQDU-IUCAKERBSA-N 1 0 347.379 -1.262 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001048367381 673997158 /nfs/dbraw/zinc/99/71/58/673997158.db2.gz USSGKSNYKWQQDU-RKDXNWHRSA-N 1 0 347.379 -1.262 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048367519 673997212 /nfs/dbraw/zinc/99/72/12/673997212.db2.gz VWJLUXULJFBQCI-NXEZZACHSA-N 1 0 336.396 -1.442 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048367520 673997221 /nfs/dbraw/zinc/99/72/21/673997221.db2.gz VWJLUXULJFBQCI-UWVGGRQHSA-N 1 0 336.396 -1.442 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048367521 673997152 /nfs/dbraw/zinc/99/71/52/673997152.db2.gz VWJLUXULJFBQCI-VHSXEESVSA-N 1 0 336.396 -1.442 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048367522 673997146 /nfs/dbraw/zinc/99/71/46/673997146.db2.gz VWJLUXULJFBQCI-ZJUUUORDSA-N 1 0 336.396 -1.442 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001048370368 673997560 /nfs/dbraw/zinc/99/75/60/673997560.db2.gz SCOKNOUIMZLABB-BDAKNGLRSA-N 1 0 338.368 -1.973 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001048370371 673997491 /nfs/dbraw/zinc/99/74/91/673997491.db2.gz SCOKNOUIMZLABB-DTWKUNHWSA-N 1 0 338.368 -1.973 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001048370376 673997474 /nfs/dbraw/zinc/99/74/74/673997474.db2.gz SCOKNOUIMZLABB-IUCAKERBSA-N 1 0 338.368 -1.973 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001048370380 673997567 /nfs/dbraw/zinc/99/75/67/673997567.db2.gz SCOKNOUIMZLABB-RKDXNWHRSA-N 1 0 338.368 -1.973 20 0 EAADRO CN(C(=O)CNC(=O)C1CC1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048372126 673997564 /nfs/dbraw/zinc/99/75/64/673997564.db2.gz VLLRSLTYSXXYPI-STQMWFEESA-N 1 0 340.424 -1.506 20 0 EAADRO CN(C(=O)c1ccon1)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001048378446 673997763 /nfs/dbraw/zinc/99/77/63/673997763.db2.gz QKCWHGNJCKQZHW-STQMWFEESA-N 1 0 340.380 -1.104 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001048384634 673997978 /nfs/dbraw/zinc/99/79/78/673997978.db2.gz DHAJZFIGFHFUSZ-RYUDHWBXSA-N 1 0 344.412 -1.286 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001048385152 673997964 /nfs/dbraw/zinc/99/79/64/673997964.db2.gz JDDVNHIGVWUPBI-RYUDHWBXSA-N 1 0 344.412 -1.286 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048385498 673998543 /nfs/dbraw/zinc/99/85/43/673998543.db2.gz QFNNQCXALKSBHY-SRVKXCTJSA-N 1 0 342.396 -1.533 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048385499 673998365 /nfs/dbraw/zinc/99/83/65/673998365.db2.gz QFNNQCXALKSBHY-WOPDTQHZSA-N 1 0 342.396 -1.533 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)OC)C1)[NH+](C)C ZINC001048385654 673998341 /nfs/dbraw/zinc/99/83/41/673998341.db2.gz SPPZCYKRNAWKRP-SRVKXCTJSA-N 1 0 344.412 -1.287 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)OC)C1)[NH+](C)C ZINC001048385655 673998523 /nfs/dbraw/zinc/99/85/23/673998523.db2.gz SPPZCYKRNAWKRP-WOPDTQHZSA-N 1 0 344.412 -1.287 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001048390574 673998774 /nfs/dbraw/zinc/99/87/74/673998774.db2.gz GXXAFCPPEMCGLO-RYUDHWBXSA-N 1 0 344.412 -1.287 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001048399193 673998859 /nfs/dbraw/zinc/99/88/59/673998859.db2.gz CXDMPWYRJJTPBO-RYUDHWBXSA-N 1 0 344.412 -1.286 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048399847 673999171 /nfs/dbraw/zinc/99/91/71/673999171.db2.gz PYAHWQYTIXCXCD-RYUDHWBXSA-N 1 0 342.396 -1.532 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048399944 673999064 /nfs/dbraw/zinc/99/90/64/673999064.db2.gz RRSZAKSVWWAENI-SRVKXCTJSA-N 1 0 342.396 -1.676 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048399945 673999104 /nfs/dbraw/zinc/99/91/04/673999104.db2.gz RRSZAKSVWWAENI-WOPDTQHZSA-N 1 0 342.396 -1.676 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048400017 673998972 /nfs/dbraw/zinc/99/89/72/673998972.db2.gz VAHVBWYTPFMEMP-RYUDHWBXSA-N 1 0 344.412 -1.286 20 0 EAADRO COC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048400335 673999124 /nfs/dbraw/zinc/99/91/24/673999124.db2.gz ZWWKFMWPPWWNLB-QWRGUYRKSA-N 1 0 330.385 -1.676 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048405439 673999141 /nfs/dbraw/zinc/99/91/41/673999141.db2.gz UOTNBJDBUBVRIV-NXEZZACHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048405442 673998933 /nfs/dbraw/zinc/99/89/33/673998933.db2.gz UOTNBJDBUBVRIV-UWVGGRQHSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048405445 673999094 /nfs/dbraw/zinc/99/90/94/673999094.db2.gz UOTNBJDBUBVRIV-VHSXEESVSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048405448 673999014 /nfs/dbraw/zinc/99/90/14/673999014.db2.gz UOTNBJDBUBVRIV-ZJUUUORDSA-N 1 0 334.384 -1.265 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1nncn1C ZINC001048406437 673999155 /nfs/dbraw/zinc/99/91/55/673999155.db2.gz ACIFNNCXFFIDHT-GHMZBOCLSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]Cc1nncn1C ZINC001048406439 673999129 /nfs/dbraw/zinc/99/91/29/673999129.db2.gz ACIFNNCXFFIDHT-MNOVXSKESA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]Cc1nncn1C ZINC001048406452 673999050 /nfs/dbraw/zinc/99/90/50/673999050.db2.gz ACIFNNCXFFIDHT-QWRGUYRKSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1nncn1C ZINC001048406454 673999077 /nfs/dbraw/zinc/99/90/77/673999077.db2.gz ACIFNNCXFFIDHT-WDEREUQCSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001048406558 673999044 /nfs/dbraw/zinc/99/90/44/673999044.db2.gz ATVFVBSNANMNCT-GHMZBOCLSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]Cc1ncnn1C ZINC001048406568 673999098 /nfs/dbraw/zinc/99/90/98/673999098.db2.gz ATVFVBSNANMNCT-MNOVXSKESA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]Cc1ncnn1C ZINC001048406578 673999020 /nfs/dbraw/zinc/99/90/20/673999020.db2.gz ATVFVBSNANMNCT-QWRGUYRKSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001048406587 673999147 /nfs/dbraw/zinc/99/91/47/673999147.db2.gz ATVFVBSNANMNCT-WDEREUQCSA-N 1 0 349.395 -1.449 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C)[nH]1 ZINC001048407783 673999074 /nfs/dbraw/zinc/99/90/74/673999074.db2.gz GNEQYVLNXBFNEV-GXSJLCMTSA-N 1 0 349.395 -1.151 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C)[nH]1 ZINC001048407784 673998999 /nfs/dbraw/zinc/99/89/99/673998999.db2.gz GNEQYVLNXBFNEV-KOLCDFICSA-N 1 0 349.395 -1.151 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C)[nH]1 ZINC001048407785 673999158 /nfs/dbraw/zinc/99/91/58/673999158.db2.gz GNEQYVLNXBFNEV-MWLCHTKSSA-N 1 0 349.395 -1.151 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C)[nH]1 ZINC001048407786 673999145 /nfs/dbraw/zinc/99/91/45/673999145.db2.gz GNEQYVLNXBFNEV-ONGXEEELSA-N 1 0 349.395 -1.151 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048408740 673998956 /nfs/dbraw/zinc/99/89/56/673998956.db2.gz MKPGHNCZHWPCAA-GHMZBOCLSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048408741 673998989 /nfs/dbraw/zinc/99/89/89/673998989.db2.gz MKPGHNCZHWPCAA-MNOVXSKESA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048408742 673999011 /nfs/dbraw/zinc/99/90/11/673999011.db2.gz MKPGHNCZHWPCAA-QWRGUYRKSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001048408743 673999166 /nfs/dbraw/zinc/99/91/66/673999166.db2.gz MKPGHNCZHWPCAA-WDEREUQCSA-N 1 0 349.395 -1.449 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048409588 673999088 /nfs/dbraw/zinc/99/90/88/673999088.db2.gz SFUYIJATWPERDW-NXEZZACHSA-N 1 0 336.352 -1.195 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]Cc1cnon1 ZINC001048409589 673999029 /nfs/dbraw/zinc/99/90/29/673999029.db2.gz SFUYIJATWPERDW-UWVGGRQHSA-N 1 0 336.352 -1.195 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]Cc1cnon1 ZINC001048409591 673999113 /nfs/dbraw/zinc/99/91/13/673999113.db2.gz 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BRCBGNCUSXFRQZ-PHIMTYICSA-N 1 0 347.379 -1.629 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048796159 674030958 /nfs/dbraw/zinc/03/09/58/674030958.db2.gz FKVBOJWZZJBXRN-TXEJJXNPSA-N 1 0 346.391 -1.032 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001048796190 674031113 /nfs/dbraw/zinc/03/11/13/674031113.db2.gz GRMSMCKUHUJTII-BETUJISGSA-N 1 0 348.407 -1.322 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048796285 674030941 /nfs/dbraw/zinc/03/09/41/674030941.db2.gz KBSPLIORLDDNBL-AXFHLTTASA-N 1 0 332.364 -1.376 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048796286 674031039 /nfs/dbraw/zinc/03/10/39/674031039.db2.gz KBSPLIORLDDNBL-OUAUKWLOSA-N 1 0 332.364 -1.376 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048796488 674031681 /nfs/dbraw/zinc/03/16/81/674031681.db2.gz SGDAWBDVGJNTIE-LMLFDSFASA-N 1 0 336.348 -1.710 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048796489 674031725 /nfs/dbraw/zinc/03/17/25/674031725.db2.gz SGDAWBDVGJNTIE-VLEAKVRGSA-N 1 0 336.348 -1.710 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048796490 674031688 /nfs/dbraw/zinc/03/16/88/674031688.db2.gz SGDAWBDVGJNTIE-YTWAJWBKSA-N 1 0 336.348 -1.710 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048796491 674031773 /nfs/dbraw/zinc/03/17/73/674031773.db2.gz SGDAWBDVGJNTIE-ZRUFSTJUSA-N 1 0 336.348 -1.710 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048796567 674031432 /nfs/dbraw/zinc/03/14/32/674031432.db2.gz WLQROBNSHUXTLG-TXEJJXNPSA-N 1 0 333.396 -1.156 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@@H]3C2)n1 ZINC001048796925 674031522 /nfs/dbraw/zinc/03/15/22/674031522.db2.gz CPWNFFZVVLEKFG-TXEJJXNPSA-N 1 0 346.391 -1.032 20 0 EAADRO 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Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]3C2)n1 ZINC001048805072 674031481 /nfs/dbraw/zinc/03/14/81/674031481.db2.gz YDTSBVYOTYUTPO-TXEJJXNPSA-N 1 0 333.396 -1.156 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@@H]3C2)n1 ZINC001048805081 674031456 /nfs/dbraw/zinc/03/14/56/674031456.db2.gz YLEZRHJYQFONLC-PHIMTYICSA-N 1 0 347.379 -1.629 20 0 EAADRO O=C(c1ncc[nH]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048808297 674032073 /nfs/dbraw/zinc/03/20/73/674032073.db2.gz FZWXINVJSCQMDQ-PHIMTYICSA-N 1 0 332.364 -1.035 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1)N1CCNC(=O)C1 ZINC001048808598 674032236 /nfs/dbraw/zinc/03/22/36/674032236.db2.gz OAJGZIHZDURJEB-TXEJJXNPSA-N 1 0 346.391 -1.628 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)[nH]1 ZINC001048813977 674032301 /nfs/dbraw/zinc/03/23/01/674032301.db2.gz UFNCYMVNELYBGW-GRYCIOLGSA-N 1 0 346.391 -1.149 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)[nH]1 ZINC001048813978 674032145 /nfs/dbraw/zinc/03/21/45/674032145.db2.gz UFNCYMVNELYBGW-TUAOUCFPSA-N 1 0 346.391 -1.149 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)nn1 ZINC001048814970 674032053 /nfs/dbraw/zinc/03/20/53/674032053.db2.gz GRCQVKCEZJTCIM-SDDRHHMPSA-N 1 0 336.396 -1.198 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)C[C@@H]3C2)nn1 ZINC001048814971 674032002 /nfs/dbraw/zinc/03/20/02/674032002.db2.gz GRCQVKCEZJTCIM-UTUOFQBUSA-N 1 0 336.396 -1.198 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)nn1 ZINC001048815117 674032039 /nfs/dbraw/zinc/03/20/39/674032039.db2.gz ITTMPWZJJYRDIN-MBNYWOFBSA-N 1 0 348.407 -1.183 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)nn1 ZINC001048815118 674032089 /nfs/dbraw/zinc/03/20/89/674032089.db2.gz ITTMPWZJJYRDIN-SCRDCRAPSA-N 1 0 348.407 -1.183 20 0 EAADRO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC001048816260 674032186 /nfs/dbraw/zinc/03/21/86/674032186.db2.gz UZQIHCWPKRUKGC-TXEJJXNPSA-N 1 0 336.396 -1.326 20 0 EAADRO Cc1nnc(CC(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)[nH]1 ZINC001048817071 674032445 /nfs/dbraw/zinc/03/24/45/674032445.db2.gz MOIPKWSOYDBZPA-RYUDHWBXSA-N 1 0 338.412 -1.363 20 0 EAADRO NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048819606 674032697 /nfs/dbraw/zinc/03/26/97/674032697.db2.gz WHMBNABELKZEEF-SDDRHHMPSA-N 1 0 346.391 -1.362 20 0 EAADRO NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048819607 674032526 /nfs/dbraw/zinc/03/25/26/674032526.db2.gz WHMBNABELKZEEF-UTUOFQBUSA-N 1 0 346.391 -1.362 20 0 EAADRO CN(C(=O)Cc1ccn(C)n1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048821525 674032496 /nfs/dbraw/zinc/03/24/96/674032496.db2.gz QBIUJHNEBLYMHQ-KBPBESRZSA-N 1 0 337.424 -1.056 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)n1 ZINC001048821742 674033114 /nfs/dbraw/zinc/03/31/14/674033114.db2.gz ATLUJJSBYNQZIV-OKILXGFUSA-N 1 0 345.411 -1.028 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC001048821778 674032878 /nfs/dbraw/zinc/03/28/78/674032878.db2.gz CGLZTMSJDHCKEC-BETUJISGSA-N 1 0 333.396 -1.314 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048821853 674032869 /nfs/dbraw/zinc/03/28/69/674032869.db2.gz GGHAFVLSVAFUSW-AXFHLTTASA-N 1 0 333.352 -2.132 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048821854 674033198 /nfs/dbraw/zinc/03/31/98/674033198.db2.gz GGHAFVLSVAFUSW-OUAUKWLOSA-N 1 0 333.352 -2.132 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1=O ZINC001048821870 674033179 /nfs/dbraw/zinc/03/31/79/674033179.db2.gz GSKQJWPRXYKVPC-PHIMTYICSA-N 1 0 336.392 -1.353 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048821932 674032996 /nfs/dbraw/zinc/03/29/96/674032996.db2.gz JOIRCBIQJFTBSM-TXEJJXNPSA-N 1 0 334.384 -1.912 20 0 EAADRO CCn1nncc1C[N@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821948 674033107 /nfs/dbraw/zinc/03/31/07/674033107.db2.gz KRAWVACRAOKXEG-TXEJJXNPSA-N 1 0 331.384 -1.125 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001048822081 674033166 /nfs/dbraw/zinc/03/31/66/674033166.db2.gz OLOKNFYCYBACEF-BETUJISGSA-N 1 0 349.395 -2.078 20 0 EAADRO CN(C(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1)C1CC1 ZINC001048822117 674032891 /nfs/dbraw/zinc/03/28/91/674032891.db2.gz QNZIGKPRZHXFPK-TXEJJXNPSA-N 1 0 333.396 -1.316 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048822128 674033192 /nfs/dbraw/zinc/03/31/92/674033192.db2.gz QYQWPMALHKASGC-MCIONIFRSA-N 1 0 347.423 -1.020 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048822129 674033206 /nfs/dbraw/zinc/03/32/06/674033206.db2.gz QYQWPMALHKASGC-MELADBBJSA-N 1 0 347.423 -1.020 20 0 EAADRO CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)C1=O ZINC001048822169 674033194 /nfs/dbraw/zinc/03/31/94/674033194.db2.gz SIKHOJOJOACURP-FRRDWIJNSA-N 1 0 333.396 -1.316 20 0 EAADRO CN1CCC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)C1=O ZINC001048822170 674033196 /nfs/dbraw/zinc/03/31/96/674033196.db2.gz SIKHOJOJOACURP-XQQFMLRXSA-N 1 0 333.396 -1.316 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)cc1=O ZINC001048822216 674032986 /nfs/dbraw/zinc/03/29/86/674032986.db2.gz VTZVYGCBMDGOFW-OKILXGFUSA-N 1 0 343.391 -1.038 20 0 EAADRO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)C1=O ZINC001048822256 674033048 /nfs/dbraw/zinc/03/30/48/674033048.db2.gz YGPOXDFBTSYCOI-FRRDWIJNSA-N 1 0 333.396 -1.316 20 0 EAADRO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)C1=O ZINC001048822257 674032838 /nfs/dbraw/zinc/03/28/38/674032838.db2.gz YGPOXDFBTSYCOI-XQQFMLRXSA-N 1 0 333.396 -1.316 20 0 EAADRO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822327 674033055 /nfs/dbraw/zinc/03/30/55/674033055.db2.gz CKTVCHGWMABWCT-SDDRHHMPSA-N 1 0 333.396 -1.270 20 0 EAADRO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822328 674033156 /nfs/dbraw/zinc/03/31/56/674033156.db2.gz CKTVCHGWMABWCT-UTUOFQBUSA-N 1 0 333.396 -1.270 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048822475 674033141 /nfs/dbraw/zinc/03/31/41/674033141.db2.gz JMSGDMLZCSOIQW-HZSPNIEDSA-N 1 0 346.395 -1.679 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048822476 674033005 /nfs/dbraw/zinc/03/30/05/674033005.db2.gz JMSGDMLZCSOIQW-MJBXVCDLSA-N 1 0 346.395 -1.679 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048822563 674032786 /nfs/dbraw/zinc/03/27/86/674032786.db2.gz MIYVMVKWGRGZGH-TXEJJXNPSA-N 1 0 347.379 -1.788 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001048822582 674033162 /nfs/dbraw/zinc/03/31/62/674033162.db2.gz NHZIKWVKDPMBGV-BETUJISGSA-N 1 0 333.396 -1.314 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048823034 674033190 /nfs/dbraw/zinc/03/31/90/674033190.db2.gz VVQOIYMZDLKBAD-FRRDWIJNSA-N 1 0 343.395 -1.158 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048823035 674032947 /nfs/dbraw/zinc/03/29/47/674032947.db2.gz VVQOIYMZDLKBAD-XQQFMLRXSA-N 1 0 343.395 -1.158 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048823203 674033184 /nfs/dbraw/zinc/03/31/84/674033184.db2.gz XRCLKDILLSXYAT-PHIMTYICSA-N 1 0 348.367 -2.385 20 0 EAADRO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827705 674033568 /nfs/dbraw/zinc/03/35/68/674033568.db2.gz CHHDWYNMTVMCOW-SDDRHHMPSA-N 1 0 336.396 -1.198 20 0 EAADRO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827706 674033526 /nfs/dbraw/zinc/03/35/26/674033526.db2.gz CHHDWYNMTVMCOW-UTUOFQBUSA-N 1 0 336.396 -1.198 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827857 674033599 /nfs/dbraw/zinc/03/35/99/674033599.db2.gz JKCSZWWAANFPJW-AXFHLTTASA-N 1 0 349.395 -1.969 20 0 EAADRO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827858 674033605 /nfs/dbraw/zinc/03/36/05/674033605.db2.gz JKCSZWWAANFPJW-OUAUKWLOSA-N 1 0 349.395 -1.969 20 0 EAADRO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827877 674033618 /nfs/dbraw/zinc/03/36/18/674033618.db2.gz KMZPEPBFUISYHU-SDDRHHMPSA-N 1 0 336.396 -1.198 20 0 EAADRO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827878 674033624 /nfs/dbraw/zinc/03/36/24/674033624.db2.gz KMZPEPBFUISYHU-UTUOFQBUSA-N 1 0 336.396 -1.198 20 0 EAADRO CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827895 674033538 /nfs/dbraw/zinc/03/35/38/674033538.db2.gz LOMALVSWRYZUKQ-GARJFASQSA-N 1 0 349.395 -2.098 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827896 674033544 /nfs/dbraw/zinc/03/35/44/674033544.db2.gz LOMALVSWRYZUKQ-MXWKQRLJSA-N 1 0 349.395 -2.098 20 0 EAADRO CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048828208 674033484 /nfs/dbraw/zinc/03/34/84/674033484.db2.gz RNNBVVUDDYGAJW-PHIMTYICSA-N 1 0 349.395 -2.145 20 0 EAADRO C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048828222 674033613 /nfs/dbraw/zinc/03/36/13/674033613.db2.gz SAFHOOAOLDXHRC-BBBLOLIVSA-N 1 0 335.368 -2.359 20 0 EAADRO C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048828225 674033627 /nfs/dbraw/zinc/03/36/27/674033627.db2.gz SAFHOOAOLDXHRC-LPEHRKFASA-N 1 0 335.368 -2.359 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001048828250 674033588 /nfs/dbraw/zinc/03/35/88/674033588.db2.gz STEWELRCGNULLA-AXFHLTTASA-N 1 0 347.379 -2.344 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001048828251 674033573 /nfs/dbraw/zinc/03/35/73/674033573.db2.gz STEWELRCGNULLA-OUAUKWLOSA-N 1 0 347.379 -2.344 20 0 EAADRO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048828367 674033634 /nfs/dbraw/zinc/03/36/34/674033634.db2.gz UQQSPIAUDNUHQP-AOOOYVTPSA-N 1 0 335.368 -2.487 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3C2)n1 ZINC001048828434 674033500 /nfs/dbraw/zinc/03/35/00/674033500.db2.gz WMFITEKHCDSMCO-RWMBFGLXSA-N 1 0 348.407 -1.196 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3C2)n1 ZINC001048828465 674033474 /nfs/dbraw/zinc/03/34/74/674033474.db2.gz WMFITEKHCDSMCO-UPJWGTAASA-N 1 0 348.407 -1.196 20 0 EAADRO O=C(N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1)[C@]12C[C@H]1COC2 ZINC001048828929 674033962 /nfs/dbraw/zinc/03/39/62/674033962.db2.gz DGYALZKNGLVGFE-LKQDWFRTSA-N 1 0 348.403 -1.035 20 0 EAADRO CN(C(=O)CCNC(N)=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048832119 674034073 /nfs/dbraw/zinc/03/40/73/674034073.db2.gz AWDHAXUYKJHPTD-WOPDTQHZSA-N 1 0 341.412 -1.831 20 0 EAADRO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001048832293 674034019 /nfs/dbraw/zinc/03/40/19/674034019.db2.gz JGKPOMMGXGYTKM-WOPDTQHZSA-N 1 0 343.428 -1.585 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C1)N1CCNC(=O)C1 ZINC001048835249 674033896 /nfs/dbraw/zinc/03/38/96/674033896.db2.gz TVJNBTCEQYFPCU-OKILXGFUSA-N 1 0 345.403 -1.023 20 0 EAADRO CN(C(=O)CCNC(N)=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048836058 674033968 /nfs/dbraw/zinc/03/39/68/674033968.db2.gz AWDHAXUYKJHPTD-SRVKXCTJSA-N 1 0 341.412 -1.831 20 0 EAADRO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001048836304 674034411 /nfs/dbraw/zinc/03/44/11/674034411.db2.gz JGKPOMMGXGYTKM-SRVKXCTJSA-N 1 0 343.428 -1.585 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001048836313 674034441 /nfs/dbraw/zinc/03/44/41/674034441.db2.gz JTQVZZLLKKVZNP-RYUDHWBXSA-N 1 0 343.428 -1.583 20 0 EAADRO CN(C(=O)CCNC(N)=O)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048836501 674034824 /nfs/dbraw/zinc/03/48/24/674034824.db2.gz LTAFICYNFNSHNG-RYUDHWBXSA-N 1 0 341.412 -1.829 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001048836552 674034717 /nfs/dbraw/zinc/03/47/17/674034717.db2.gz NJFNAFYUBBJIPI-RYUDHWBXSA-N 1 0 343.428 -1.583 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001048836572 674034812 /nfs/dbraw/zinc/03/48/12/674034812.db2.gz NVKKHZZARPZLPW-RYUDHWBXSA-N 1 0 343.428 -1.583 20 0 EAADRO CN(C(=O)CCNC(N)=O)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048836807 674035214 /nfs/dbraw/zinc/03/52/14/674035214.db2.gz SLODWRWDOSAELW-SRVKXCTJSA-N 1 0 341.412 -1.973 20 0 EAADRO CN(C(=O)CCNC(N)=O)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048836808 674035163 /nfs/dbraw/zinc/03/51/63/674035163.db2.gz SLODWRWDOSAELW-WOPDTQHZSA-N 1 0 341.412 -1.973 20 0 EAADRO CN(C(=O)CCNC(N)=O)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048836870 674035167 /nfs/dbraw/zinc/03/51/67/674035167.db2.gz UYBWATSSKATURT-QWRGUYRKSA-N 1 0 329.401 -1.973 20 0 EAADRO CN(C(=O)CCNC(N)=O)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048837000 674035199 /nfs/dbraw/zinc/03/51/99/674035199.db2.gz YIFVYSJYFTVEKE-RYUDHWBXSA-N 1 0 343.428 -1.583 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001048837061 674035219 /nfs/dbraw/zinc/03/52/19/674035219.db2.gz ZNUXQXVENIWSDB-RYUDHWBXSA-N 1 0 343.428 -1.585 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048838056 674035668 /nfs/dbraw/zinc/03/56/68/674035668.db2.gz CQJFZDMPHJOXMZ-LOWVWBTDSA-N 1 0 341.433 -1.300 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048838059 674035619 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CNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048972764 674051356 /nfs/dbraw/zinc/05/13/56/674051356.db2.gz BDOWFLWCMVHTTK-RYUDHWBXSA-N 1 0 328.413 -1.507 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048972767 674051468 /nfs/dbraw/zinc/05/14/68/674051468.db2.gz BGWYWIYIDYQYJT-KBPBESRZSA-N 1 0 342.440 -1.165 20 0 EAADRO CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001048972770 674051429 /nfs/dbraw/zinc/05/14/29/674051429.db2.gz BJIIGUMESQPPTE-RYUDHWBXSA-N 1 0 326.397 -1.622 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O ZINC001048972829 674051574 /nfs/dbraw/zinc/05/15/74/674051574.db2.gz DVHLHESTJDEUDR-STQMWFEESA-N 1 0 338.412 -1.201 20 0 EAADRO CCS(=O)(=O)CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048972830 674051534 /nfs/dbraw/zinc/05/15/34/674051534.db2.gz DWVHYPPZTIMFMX-RYUDHWBXSA-N 1 0 349.453 -1.597 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O ZINC001048972971 674051493 /nfs/dbraw/zinc/05/14/93/674051493.db2.gz FYHUZBWBKGGEOE-AGIUHOORSA-N 1 0 340.424 -1.365 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O ZINC001048972972 674051584 /nfs/dbraw/zinc/05/15/84/674051584.db2.gz FYHUZBWBKGGEOE-AVGNSLFASA-N 1 0 340.424 -1.365 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O ZINC001048972976 674051367 /nfs/dbraw/zinc/05/13/67/674051367.db2.gz GEMMYCCEZNAGSD-RYUDHWBXSA-N 1 0 338.412 -1.201 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048972988 674051317 /nfs/dbraw/zinc/05/13/17/674051317.db2.gz GWQJUQCIRLNERW-STQMWFEESA-N 1 0 342.440 -1.117 20 0 EAADRO CC(C)[C@@H](C(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001048973115 674051508 /nfs/dbraw/zinc/05/15/08/674051508.db2.gz LYYBCMFMPVBFEC-AVGNSLFASA-N 1 0 340.424 -1.378 20 0 EAADRO CC(C)[C@H](C(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001048973116 674051994 /nfs/dbraw/zinc/05/19/94/674051994.db2.gz LYYBCMFMPVBFEC-RWMBFGLXSA-N 1 0 340.424 -1.378 20 0 EAADRO COC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048973119 674051736 /nfs/dbraw/zinc/05/17/36/674051736.db2.gz MFDQQLGVGAHYHF-RYUDHWBXSA-N 1 0 344.412 -1.287 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O ZINC001048973138 674052009 /nfs/dbraw/zinc/05/20/09/674052009.db2.gz NGAGXABBZLDDMY-IHRRRGAJSA-N 1 0 343.424 -1.228 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O ZINC001048973139 674051956 /nfs/dbraw/zinc/05/19/56/674051956.db2.gz NGAGXABBZLDDMY-MELADBBJSA-N 1 0 343.424 -1.228 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048973287 674052021 /nfs/dbraw/zinc/05/20/21/674052021.db2.gz PSIGUFACSDIRIU-STQMWFEESA-N 1 0 328.413 -1.507 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1O ZINC001048973316 674051702 /nfs/dbraw/zinc/05/17/02/674051702.db2.gz QTLMXWPAVLGJRQ-SRVKXCTJSA-N 1 0 342.396 -1.535 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1O ZINC001048973317 674051855 /nfs/dbraw/zinc/05/18/55/674051855.db2.gz QTLMXWPAVLGJRQ-WOPDTQHZSA-N 1 0 342.396 -1.535 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O ZINC001048973339 674052003 /nfs/dbraw/zinc/05/20/03/674052003.db2.gz RVKGCVYRPZBHCN-STQMWFEESA-N 1 0 338.412 -1.201 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001048973368 674052014 /nfs/dbraw/zinc/05/20/14/674052014.db2.gz UBZOBEUEPUOSNC-RYUDHWBXSA-N 1 0 339.400 -1.957 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O ZINC001048973376 674051962 /nfs/dbraw/zinc/05/19/62/674051962.db2.gz ULGQLYHAYVYSJK-STQMWFEESA-N 1 0 338.412 -1.201 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048973436 674052075 /nfs/dbraw/zinc/05/20/75/674052075.db2.gz UQJSINWUEWXFEP-UBHSHLNASA-N 1 0 342.440 -1.119 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048973437 674052033 /nfs/dbraw/zinc/05/20/33/674052033.db2.gz UQJSINWUEWXFEP-XBFCOCLRSA-N 1 0 342.440 -1.119 20 0 EAADRO CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001048973480 674051748 /nfs/dbraw/zinc/05/17/48/674051748.db2.gz WUIHGNABEFDVPZ-STQMWFEESA-N 1 0 340.424 -1.232 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048973516 674051720 /nfs/dbraw/zinc/05/17/20/674051720.db2.gz XSAZYOXFEHTMLV-STQMWFEESA-N 1 0 342.440 -1.117 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001048973547 674051885 /nfs/dbraw/zinc/05/18/85/674051885.db2.gz YTCZHRWVIGEOBZ-QWRGUYRKSA-N 1 0 329.401 -1.975 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1O ZINC001048973558 674051843 /nfs/dbraw/zinc/05/18/43/674051843.db2.gz ZBYMSVWHHHCLBZ-SRVKXCTJSA-N 1 0 343.428 -1.587 20 0 EAADRO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@H]2C1 ZINC001048974346 674052038 /nfs/dbraw/zinc/05/20/38/674052038.db2.gz XNVAOTNALZPDCQ-TXEJJXNPSA-N 1 0 329.364 -1.126 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048974628 674051868 /nfs/dbraw/zinc/05/18/68/674051868.db2.gz AADLYFBKDQFWJI-PHIMTYICSA-N 1 0 347.379 -1.331 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001048974692 674052063 /nfs/dbraw/zinc/05/20/63/674052063.db2.gz DKKQNOVZZMILTD-BETUJISGSA-N 1 0 348.407 -1.024 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048975322 674051774 /nfs/dbraw/zinc/05/17/74/674051774.db2.gz MFIZATQFSCRYTA-AXFHLTTASA-N 1 0 332.364 -1.078 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048975323 674052027 /nfs/dbraw/zinc/05/20/27/674052027.db2.gz MFIZATQFSCRYTA-OUAUKWLOSA-N 1 0 332.364 -1.078 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)c1=O ZINC001048975335 674051951 /nfs/dbraw/zinc/05/19/51/674051951.db2.gz MWZMCYDUIKQHOL-JFGNBEQYSA-N 1 0 347.375 -1.622 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)c1=O ZINC001048975336 674052073 /nfs/dbraw/zinc/05/20/73/674052073.db2.gz MWZMCYDUIKQHOL-UMNHJUIQSA-N 1 0 347.375 -1.622 20 0 EAADRO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)CN4CCNC(=O)C4)C[C@H]3C2)cn1 ZINC001048975936 674051759 /nfs/dbraw/zinc/05/17/59/674051759.db2.gz AICHZDMCYQFLIS-GASCZTMLSA-N 1 0 346.435 -1.258 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1)N1CCC1 ZINC001048976243 674052068 /nfs/dbraw/zinc/05/20/68/674052068.db2.gz GKSNPCKWUSNOFQ-OKILXGFUSA-N 1 0 349.435 -1.959 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O ZINC001048976591 674051896 /nfs/dbraw/zinc/05/18/96/674051896.db2.gz BGJGHKLSOVGNSN-STQMWFEESA-N 1 0 342.440 -1.165 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001048976599 674051906 /nfs/dbraw/zinc/05/19/06/674051906.db2.gz BNDHAJLXRYEBJT-RYUDHWBXSA-N 1 0 339.400 -1.957 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O ZINC001048976606 674051804 /nfs/dbraw/zinc/05/18/04/674051804.db2.gz BTXWXGZTQGWOBZ-RYUDHWBXSA-N 1 0 343.428 -1.585 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001048976661 674051988 /nfs/dbraw/zinc/05/19/88/674051988.db2.gz DKKIPJPJCABZPB-STQMWFEESA-N 1 0 338.412 -1.352 20 0 EAADRO Cn1nccc1C[N@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048976693 674052056 /nfs/dbraw/zinc/05/20/56/674052056.db2.gz QLKABTAQYAPXFJ-OKILXGFUSA-N 1 0 346.435 -1.258 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001048976768 674052360 /nfs/dbraw/zinc/05/23/60/674052360.db2.gz GJMLAMYEQZUJGC-RYUDHWBXSA-N 1 0 342.440 -1.132 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048976830 674052423 /nfs/dbraw/zinc/05/24/23/674052423.db2.gz HOVIZSZMBYBZHH-RYUDHWBXSA-N 1 0 343.428 -1.714 20 0 EAADRO Cn1cncc1C[N@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048976931 674052331 /nfs/dbraw/zinc/05/23/31/674052331.db2.gz UVKPXNSUBLDKGA-OKILXGFUSA-N 1 0 346.435 -1.258 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O ZINC001048977206 674052456 /nfs/dbraw/zinc/05/24/56/674052456.db2.gz PCNBGVYLNQSIRE-VOAKCMCISA-N 1 0 340.424 -1.522 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001048977215 674052499 /nfs/dbraw/zinc/05/24/99/674052499.db2.gz PKXUXMSYTRHSGL-RYUDHWBXSA-N 1 0 340.424 -1.378 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048977254 674052435 /nfs/dbraw/zinc/05/24/35/674052435.db2.gz ABVMPEXXCCTBCF-OKILXGFUSA-N 1 0 347.423 -1.900 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1)NC1CC1 ZINC001048977296 674052492 /nfs/dbraw/zinc/05/24/92/674052492.db2.gz BJVKGASSEXQJNX-BETUJISGSA-N 1 0 349.435 -1.913 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1O ZINC001048977299 674052371 /nfs/dbraw/zinc/05/23/71/674052371.db2.gz QLTVXVSGLKSMRJ-AGIUHOORSA-N 1 0 342.440 -1.132 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1O ZINC001048977300 674052532 /nfs/dbraw/zinc/05/25/32/674052532.db2.gz QLTVXVSGLKSMRJ-AVGNSLFASA-N 1 0 342.440 -1.132 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O ZINC001048977304 674052308 /nfs/dbraw/zinc/05/23/08/674052308.db2.gz QNCUKAXJPJGFLE-AGIUHOORSA-N 1 0 340.424 -1.507 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O ZINC001048977306 674052377 /nfs/dbraw/zinc/05/23/77/674052377.db2.gz QNCUKAXJPJGFLE-AVGNSLFASA-N 1 0 340.424 -1.507 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001048977331 674052512 /nfs/dbraw/zinc/05/25/12/674052512.db2.gz RFHGEJLDCRJZQQ-STQMWFEESA-N 1 0 338.412 -1.352 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1O ZINC001048977369 674052439 /nfs/dbraw/zinc/05/24/39/674052439.db2.gz SKRTXVGDFBRQHF-SRVKXCTJSA-N 1 0 341.412 -1.962 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1O ZINC001048977371 674052384 /nfs/dbraw/zinc/05/23/84/674052384.db2.gz SKRTXVGDFBRQHF-WOPDTQHZSA-N 1 0 341.412 -1.962 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O ZINC001048977387 674052324 /nfs/dbraw/zinc/05/23/24/674052324.db2.gz TUULVCQGVNMXHA-QWRGUYRKSA-N 1 0 339.400 -1.806 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001048977460 674052337 /nfs/dbraw/zinc/05/23/37/674052337.db2.gz VLHSGLGRVMXUIL-RYUDHWBXSA-N 1 0 338.412 -1.283 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001048977680 674052443 /nfs/dbraw/zinc/05/24/43/674052443.db2.gz IGYQOMYKJMALMK-KFWWJZLASA-N 1 0 336.436 -1.155 20 0 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CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049027282 674059701 /nfs/dbraw/zinc/05/97/01/674059701.db2.gz IVUVQKGQJIFTTM-NDBYEHHHSA-N 1 0 342.440 -1.132 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049027283 674059810 /nfs/dbraw/zinc/05/98/10/674059810.db2.gz IVUVQKGQJIFTTM-RNJOBUHISA-N 1 0 342.440 -1.132 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O)[NH+](C)C ZINC001049027307 674059799 /nfs/dbraw/zinc/05/97/99/674059799.db2.gz JCKLWFUWEGLNTD-RDBSUJKOSA-N 1 0 342.440 -1.165 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O)[NH+](C)C ZINC001049027357 674059795 /nfs/dbraw/zinc/05/97/95/674059795.db2.gz LHYFFGKIMVRFOR-WOPDTQHZSA-N 1 0 338.412 -1.283 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1O)[NH+](C)C ZINC001049027377 674059746 /nfs/dbraw/zinc/05/97/46/674059746.db2.gz LVPZPHHDOONELJ-GHYVTOPFSA-N 1 0 342.440 -1.119 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1O)[NH+](C)C ZINC001049027378 674059780 /nfs/dbraw/zinc/05/97/80/674059780.db2.gz LVPZPHHDOONELJ-ZZVYKPCYSA-N 1 0 342.440 -1.119 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049027381 674059695 /nfs/dbraw/zinc/05/96/95/674059695.db2.gz LYDWXBNBWCDIAP-USZNOCQGSA-N 1 0 343.428 -1.587 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001049027491 674059787 /nfs/dbraw/zinc/05/97/87/674059787.db2.gz MXQDVGVEICOSEO-AGIUHOORSA-N 1 0 342.440 -1.165 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O)[NH+](C)C ZINC001049027537 674059872 /nfs/dbraw/zinc/05/98/72/674059872.db2.gz NWIWONVPVORILZ-WOPDTQHZSA-N 1 0 339.400 -1.957 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1O)[NH+](C)C ZINC001049027538 674059716 /nfs/dbraw/zinc/05/97/16/674059716.db2.gz NWVOYQCCMBEWMS-WOPDTQHZSA-N 1 0 343.428 -1.714 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001049027547 674059866 /nfs/dbraw/zinc/05/98/66/674059866.db2.gz OJGPMMRUVBPSHG-AGIUHOORSA-N 1 0 342.440 -1.117 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001049027571 674059784 /nfs/dbraw/zinc/05/97/84/674059784.db2.gz PNEUKUYMUSUNFY-AGIUHOORSA-N 1 0 338.412 -1.352 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O)[NH+](C)C ZINC001049027618 674059856 /nfs/dbraw/zinc/05/98/56/674059856.db2.gz RIIBECNQJPONCI-WOPDTQHZSA-N 1 0 339.400 -1.957 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001049027633 674059774 /nfs/dbraw/zinc/05/97/74/674059774.db2.gz RZBGBYKHSJGEAK-NDBYEHHHSA-N 1 0 340.424 -1.507 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001049027634 674059842 /nfs/dbraw/zinc/05/98/42/674059842.db2.gz RZBGBYKHSJGEAK-RNJOBUHISA-N 1 0 340.424 -1.507 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001049027645 674059776 /nfs/dbraw/zinc/05/97/76/674059776.db2.gz SSHQIBPVHCVENI-WOPDTQHZSA-N 1 0 338.412 -1.201 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001049027659 674059846 /nfs/dbraw/zinc/05/98/46/674059846.db2.gz TVKGSQJAWKPTLM-VWYCJHECSA-N 1 0 339.400 -1.806 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O)[NH+](C)C ZINC001049027660 674059830 /nfs/dbraw/zinc/05/98/30/674059830.db2.gz TVVAZEAIXWMRFK-WOPDTQHZSA-N 1 0 344.412 -1.287 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O)[NH+](C)C ZINC001049027661 674059742 /nfs/dbraw/zinc/05/97/42/674059742.db2.gz TVYRRRHKDQNSQB-WOPDTQHZSA-N 1 0 328.413 -1.507 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049027781 674059757 /nfs/dbraw/zinc/05/97/57/674059757.db2.gz WOMOJUVGDWUMFL-FHUSYTEZSA-N 1 0 340.424 -1.522 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O)[NH+](C)C ZINC001049027791 674059852 /nfs/dbraw/zinc/05/98/52/674059852.db2.gz WWJGSRWGHIEMNK-WXHSDQCUSA-N 1 0 338.412 -1.201 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049027799 674059723 /nfs/dbraw/zinc/05/97/23/674059723.db2.gz XELSIKURJLZOLD-WOPDTQHZSA-N 1 0 342.440 -1.132 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O)[NH+](C)C ZINC001049027803 674059748 /nfs/dbraw/zinc/05/97/48/674059748.db2.gz XHADGIZUTRUGHR-WOPDTQHZSA-N 1 0 340.424 -1.378 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1O)[NH+](C)C ZINC001049027830 674059721 /nfs/dbraw/zinc/05/97/21/674059721.db2.gz XXAUKPKFAPBLIQ-USZNOCQGSA-N 1 0 341.412 -1.962 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1O)[NH+](C)C ZINC001049027832 674059730 /nfs/dbraw/zinc/05/97/30/674059730.db2.gz XXAUKPKFAPBLIQ-WYUUTHIRSA-N 1 0 341.412 -1.962 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O)[NH+](C)C ZINC001049027914 674059771 /nfs/dbraw/zinc/05/97/71/674059771.db2.gz ZKSRKRFCXWZGTF-NDBYEHHHSA-N 1 0 340.424 -1.365 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O)[NH+](C)C ZINC001049027915 674059859 /nfs/dbraw/zinc/05/98/59/674059859.db2.gz ZKSRKRFCXWZGTF-RNJOBUHISA-N 1 0 340.424 -1.365 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001049027918 674059833 /nfs/dbraw/zinc/05/98/33/674059833.db2.gz ZLSUBHUOQXZGFM-AGIUHOORSA-N 1 0 338.412 -1.201 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O)[NH+](C)C ZINC001049027931 674059849 /nfs/dbraw/zinc/05/98/49/674059849.db2.gz ZSHCLDIFBWXWEW-AGIUHOORSA-N 1 0 338.412 -1.352 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)[nH]c1=O ZINC001049028707 674059760 /nfs/dbraw/zinc/05/97/60/674059760.db2.gz JCTWXHBSUKTEII-JFGNBEQYSA-N 1 0 347.375 -1.065 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)[nH]c1=O ZINC001049028708 674059805 /nfs/dbraw/zinc/05/98/05/674059805.db2.gz JCTWXHBSUKTEII-UMNHJUIQSA-N 1 0 347.375 -1.065 20 0 EAADRO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001049030552 674059741 /nfs/dbraw/zinc/05/97/41/674059741.db2.gz BSMHZGZBPCEBEV-RYUDHWBXSA-N 1 0 341.412 -1.973 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001049030875 674059733 /nfs/dbraw/zinc/05/97/33/674059733.db2.gz JFLFFIODENCFAX-STQMWFEESA-N 1 0 340.424 -1.506 20 0 EAADRO CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001049030901 674060175 /nfs/dbraw/zinc/06/01/75/674060175.db2.gz KUVFJOJKATUCKD-STQMWFEESA-N 1 0 340.424 -1.232 20 0 EAADRO CN(C(=O)CCCC(N)=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001049034438 674060126 /nfs/dbraw/zinc/06/01/26/674060126.db2.gz HNAUYPFEHOJPHU-AGIUHOORSA-N 1 0 340.424 -1.234 20 0 EAADRO CN(C(=O)CCCC(N)=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001049034440 674060158 /nfs/dbraw/zinc/06/01/58/674060158.db2.gz HNAUYPFEHOJPHU-AVGNSLFASA-N 1 0 340.424 -1.234 20 0 EAADRO Cc1nonc1C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049034960 674060775 /nfs/dbraw/zinc/06/07/75/674060775.db2.gz MUXWQNBAUDUIBS-QWRGUYRKSA-N 1 0 325.369 -1.027 20 0 EAADRO CN(C(=O)CCCC(N)=O)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049038691 674060730 /nfs/dbraw/zinc/06/07/30/674060730.db2.gz BITRRSJKJGXEPD-AGIUHOORSA-N 1 0 340.424 -1.376 20 0 EAADRO CN(C(=O)CCCC(N)=O)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049038692 674060770 /nfs/dbraw/zinc/06/07/70/674060770.db2.gz BITRRSJKJGXEPD-AVGNSLFASA-N 1 0 340.424 -1.376 20 0 EAADRO CN(C(=O)CCCC(N)=O)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049038774 674060747 /nfs/dbraw/zinc/06/07/47/674060747.db2.gz DCCNXZOFHNKCLX-RYUDHWBXSA-N 1 0 328.413 -1.376 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 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Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@@H]3C2)n1 ZINC001049115159 674069489 /nfs/dbraw/zinc/06/94/89/674069489.db2.gz FQCHHITVKBZEGW-BETUJISGSA-N 1 0 348.407 -1.322 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]3C2)n1 ZINC001049115164 674069471 /nfs/dbraw/zinc/06/94/71/674069471.db2.gz FWKXDZSWQNXHDL-TXEJJXNPSA-N 1 0 333.396 -1.156 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001049115261 674069280 /nfs/dbraw/zinc/06/92/80/674069280.db2.gz IGBPYVMHNXTQKS-AVGNSLFASA-N 1 0 342.440 -1.117 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049115264 674069241 /nfs/dbraw/zinc/06/92/41/674069241.db2.gz IIQFSRZJGKEXBL-DCAQKATOSA-N 1 0 329.401 -1.975 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O)[NH+](C)C ZINC001049115374 674069459 /nfs/dbraw/zinc/06/94/59/674069459.db2.gz JCKLWFUWEGLNTD-IHRRRGAJSA-N 1 0 342.440 -1.165 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049115455 674069421 /nfs/dbraw/zinc/06/94/21/674069421.db2.gz LYDWXBNBWCDIAP-BJDJZHNGSA-N 1 0 343.428 -1.587 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001049115602 674069309 /nfs/dbraw/zinc/06/93/09/674069309.db2.gz OJGPMMRUVBPSHG-AVGNSLFASA-N 1 0 342.440 -1.117 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O)[NH+](C)C ZINC001049115693 674069487 /nfs/dbraw/zinc/06/94/87/674069487.db2.gz RIIBECNQJPONCI-SRVKXCTJSA-N 1 0 339.400 -1.957 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001049115730 674069246 /nfs/dbraw/zinc/06/92/46/674069246.db2.gz SSHQIBPVHCVENI-SRVKXCTJSA-N 1 0 338.412 -1.201 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001049115745 674069277 /nfs/dbraw/zinc/06/92/77/674069277.db2.gz TVKGSQJAWKPTLM-DCAQKATOSA-N 1 0 339.400 -1.806 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O)[NH+](C)C ZINC001049115747 674069369 /nfs/dbraw/zinc/06/93/69/674069369.db2.gz TVVAZEAIXWMRFK-SRVKXCTJSA-N 1 0 344.412 -1.287 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O)[NH+](C)C ZINC001049115748 674069383 /nfs/dbraw/zinc/06/93/83/674069383.db2.gz TVYRRRHKDQNSQB-SRVKXCTJSA-N 1 0 328.413 -1.507 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)n1 ZINC001049115844 674069331 /nfs/dbraw/zinc/06/93/31/674069331.db2.gz SEPDSEJJNPTYRE-JFGNBEQYSA-N 1 0 332.364 -1.376 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)n1 ZINC001049115849 674069321 /nfs/dbraw/zinc/06/93/21/674069321.db2.gz SEPDSEJJNPTYRE-UMNHJUIQSA-N 1 0 332.364 -1.376 20 0 EAADRO CN(C(=O)COCC[NH+](C)C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O ZINC001049115902 674069438 /nfs/dbraw/zinc/06/94/38/674069438.db2.gz WIMIPJLYQZCXFQ-RYUDHWBXSA-N 1 0 340.380 -1.104 20 0 EAADRO 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O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001049118031 674069881 /nfs/dbraw/zinc/06/98/81/674069881.db2.gz NFRAMMICFUQGAA-UPJWGTAASA-N 1 0 336.392 -1.035 20 0 EAADRO CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118079 674069846 /nfs/dbraw/zinc/06/98/46/674069846.db2.gz OTMSEUJQLDWIBF-GARJFASQSA-N 1 0 337.380 -1.937 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118080 674070160 /nfs/dbraw/zinc/07/01/60/674070160.db2.gz OTMSEUJQLDWIBF-MXWKQRLJSA-N 1 0 337.380 -1.937 20 0 EAADRO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)CN4CC(=O)NC4=O)C[C@H]3C2)cn1 ZINC001049118390 674069963 /nfs/dbraw/zinc/06/99/63/674069963.db2.gz UJPCILMHADRQPQ-BETUJISGSA-N 1 0 346.391 -1.138 20 0 EAADRO CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118413 674069892 /nfs/dbraw/zinc/06/98/92/674069892.db2.gz VDDMBZIPIQXZHX-PHIMTYICSA-N 1 0 337.380 -1.983 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049118418 674069788 /nfs/dbraw/zinc/06/97/88/674069788.db2.gz VVRWCHFUCZZFBA-BETUJISGSA-N 1 0 346.391 -1.175 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049118427 674069794 /nfs/dbraw/zinc/06/97/94/674069794.db2.gz WNDDHYHKGJJFHU-TXEJJXNPSA-N 1 0 347.379 -1.780 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118429 674070093 /nfs/dbraw/zinc/07/00/93/674070093.db2.gz WPCKMGXZYYVUIY-AXFHLTTASA-N 1 0 337.380 -1.808 20 0 EAADRO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118430 674070012 /nfs/dbraw/zinc/07/00/12/674070012.db2.gz WPCKMGXZYYVUIY-OUAUKWLOSA-N 1 0 337.380 -1.808 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1)N1CCC1 ZINC001049118442 674069931 /nfs/dbraw/zinc/06/99/31/674069931.db2.gz XDVFUHUSXQSNFS-TXEJJXNPSA-N 1 0 349.391 -1.839 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1)NC1CC1 ZINC001049118472 674069898 /nfs/dbraw/zinc/06/98/98/674069898.db2.gz YFAGPUXFGNBDCG-PHIMTYICSA-N 1 0 349.391 -1.793 20 0 EAADRO Cn1cncc1C[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118496 674069873 /nfs/dbraw/zinc/06/98/73/674069873.db2.gz YZSCZNQHSCLCCP-TXEJJXNPSA-N 1 0 346.391 -1.138 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049118731 674070060 /nfs/dbraw/zinc/07/00/60/674070060.db2.gz CPGQZGKKTFEFGE-SRVKXCTJSA-N 1 0 343.428 -1.585 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O)[NH+](C)C ZINC001049119228 674070100 /nfs/dbraw/zinc/07/01/00/674070100.db2.gz LHYFFGKIMVRFOR-SRVKXCTJSA-N 1 0 338.412 -1.283 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049119272 674070085 /nfs/dbraw/zinc/07/00/85/674070085.db2.gz LLYVLACGLZLHCK-BETUJISGSA-N 1 0 336.392 -1.301 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001049119327 674070480 /nfs/dbraw/zinc/07/04/80/674070480.db2.gz MXQDVGVEICOSEO-AVGNSLFASA-N 1 0 342.440 -1.165 20 0 EAADRO CN(C(=O)CC1([NH+](C)C)CCCC1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001049119345 674070521 /nfs/dbraw/zinc/07/05/21/674070521.db2.gz NKYJQFZROPTCGX-RYUDHWBXSA-N 1 0 340.424 -1.234 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O)[NH+](C)C ZINC001049119360 674070445 /nfs/dbraw/zinc/07/04/45/674070445.db2.gz NWIWONVPVORILZ-SRVKXCTJSA-N 1 0 339.400 -1.957 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1O)[NH+](C)C ZINC001049119364 674070567 /nfs/dbraw/zinc/07/05/67/674070567.db2.gz NWVOYQCCMBEWMS-SRVKXCTJSA-N 1 0 343.428 -1.714 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001049119422 674070513 /nfs/dbraw/zinc/07/05/13/674070513.db2.gz PNEUKUYMUSUNFY-AVGNSLFASA-N 1 0 338.412 -1.352 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049119728 674070486 /nfs/dbraw/zinc/07/04/86/674070486.db2.gz XELSIKURJLZOLD-SRVKXCTJSA-N 1 0 342.440 -1.132 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O)[NH+](C)C ZINC001049119736 674070587 /nfs/dbraw/zinc/07/05/87/674070587.db2.gz XHADGIZUTRUGHR-SRVKXCTJSA-N 1 0 340.424 -1.378 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O)[NH+](C)C ZINC001049119821 674070492 /nfs/dbraw/zinc/07/04/92/674070492.db2.gz ZKSRKRFCXWZGTF-CYDGBPFRSA-N 1 0 340.424 -1.365 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001049119825 674070574 /nfs/dbraw/zinc/07/05/74/674070574.db2.gz ZLSUBHUOQXZGFM-AVGNSLFASA-N 1 0 338.412 -1.201 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O)[NH+](C)C ZINC001049119832 674070531 /nfs/dbraw/zinc/07/05/31/674070531.db2.gz ZSHCLDIFBWXWEW-AVGNSLFASA-N 1 0 338.412 -1.352 20 0 EAADRO CN(C(=O)c1cnco1)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001049122073 674071147 /nfs/dbraw/zinc/07/11/47/674071147.db2.gz SXOIIWGBCSVAOA-RYUDHWBXSA-N 1 0 340.380 -1.104 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@@H]2C1 ZINC001049122380 674071150 /nfs/dbraw/zinc/07/11/50/674071150.db2.gz AUKLCKFFAZVDAX-XQQFMLRXSA-N 1 0 348.407 -1.208 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1)N1CCOCC1 ZINC001049123030 674071160 /nfs/dbraw/zinc/07/11/60/674071160.db2.gz UKONEXMKRTXRJK-TXEJJXNPSA-N 1 0 334.380 -1.333 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1)N1CCOCC1 ZINC001049123342 674071128 /nfs/dbraw/zinc/07/11/28/674071128.db2.gz AJESLVKDLMQHBI-TXEJJXNPSA-N 1 0 335.364 -1.068 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049123508 674071064 /nfs/dbraw/zinc/07/10/64/674071064.db2.gz IMRPAGOYCWRRFJ-AOOOYVTPSA-N 1 0 333.352 -1.640 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001049123719 674071143 /nfs/dbraw/zinc/07/11/43/674071143.db2.gz JNROMZIVUVDNEQ-PHIMTYICSA-N 1 0 332.364 -1.043 20 0 EAADRO O=C(c1cnon1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049123815 674071105 /nfs/dbraw/zinc/07/11/05/674071105.db2.gz JNWWJHYEDMPTMI-AOOOYVTPSA-N 1 0 334.336 -1.375 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049123832 674071108 /nfs/dbraw/zinc/07/11/08/674071108.db2.gz MTPYVZXMYLTJFZ-PHIMTYICSA-N 1 0 347.379 -1.250 20 0 EAADRO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC001049124250 674071119 /nfs/dbraw/zinc/07/11/19/674071119.db2.gz WBDQMJKYQKIUAH-PHIMTYICSA-N 1 0 329.364 -1.126 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1)NC1CC1 ZINC001049128449 674071662 /nfs/dbraw/zinc/07/16/62/674071662.db2.gz BYYPNTAKLYMVOO-TXEJJXNPSA-N 1 0 333.396 -1.268 20 0 EAADRO Cn1nncc1C[N@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049128649 674071657 /nfs/dbraw/zinc/07/16/57/674071657.db2.gz GISIQQYCMZDAHF-TXEJJXNPSA-N 1 0 331.384 -1.218 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049128700 674071582 /nfs/dbraw/zinc/07/15/82/674071582.db2.gz JFEYGIDEZKTWEN-FRRDWIJNSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049128701 674071523 /nfs/dbraw/zinc/07/15/23/674071523.db2.gz JFEYGIDEZKTWEN-XQQFMLRXSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049129054 674071389 /nfs/dbraw/zinc/07/13/89/674071389.db2.gz QTFWGUMQMJHGEB-BETUJISGSA-N 1 0 348.411 -1.521 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049129165 674071379 /nfs/dbraw/zinc/07/13/79/674071379.db2.gz WQVITIRMRKPKFW-GRYCIOLGSA-N 1 0 347.379 -1.741 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049129166 674071610 /nfs/dbraw/zinc/07/16/10/674071610.db2.gz WQVITIRMRKPKFW-TUAOUCFPSA-N 1 0 347.379 -1.741 20 0 EAADRO O=C(C[N@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1)N1CCC1 ZINC001049129250 674071689 /nfs/dbraw/zinc/07/16/89/674071689.db2.gz ZSCKSJCCAHXRFJ-BETUJISGSA-N 1 0 333.396 -1.314 20 0 EAADRO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049129332 674071556 /nfs/dbraw/zinc/07/15/56/674071556.db2.gz FTJNSNKKOAGSGR-PHIMTYICSA-N 1 0 349.391 -1.125 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049129583 674071647 /nfs/dbraw/zinc/07/16/47/674071647.db2.gz QWIOAMRWQUZVFQ-AOOOYVTPSA-N 1 0 335.364 -1.386 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049130934 674071540 /nfs/dbraw/zinc/07/15/40/674071540.db2.gz AZVFOYRQMKTAPK-BETUJISGSA-N 1 0 331.384 -1.255 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049131349 674071574 /nfs/dbraw/zinc/07/15/74/674071574.db2.gz JPFMKWMKQIJOLJ-RWMBFGLXSA-N 1 0 335.412 -1.070 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049131351 674071595 /nfs/dbraw/zinc/07/15/95/674071595.db2.gz JPFMKWMKQIJOLJ-UPJWGTAASA-N 1 0 335.412 -1.070 20 0 EAADRO O=C(Cc1ncc[nH]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049131915 674071678 /nfs/dbraw/zinc/07/16/78/674071678.db2.gz UTKWAIVWBBFGQQ-TXEJJXNPSA-N 1 0 346.391 -1.106 20 0 EAADRO CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CCn4cnnn4)C[C@H]3C2)C1=O ZINC001049132720 674071726 /nfs/dbraw/zinc/07/17/26/674071726.db2.gz XGQPHTLRUZNYDZ-FRRDWIJNSA-N 1 0 333.396 -1.316 20 0 EAADRO CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)CCn4cnnn4)C[C@H]3C2)C1=O ZINC001049132723 674071532 /nfs/dbraw/zinc/07/15/32/674071532.db2.gz XGQPHTLRUZNYDZ-XQQFMLRXSA-N 1 0 333.396 -1.316 20 0 EAADRO Cc1cc(C)n(CC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)c(=O)n1 ZINC001049135612 674071504 /nfs/dbraw/zinc/07/15/04/674071504.db2.gz VSNZVTBGLAQRGK-BETUJISGSA-N 1 0 333.392 -1.264 20 0 EAADRO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 ZINC001049135761 674071601 /nfs/dbraw/zinc/07/16/01/674071601.db2.gz XITYMBLAVVCJCU-OKILXGFUSA-N 1 0 347.419 -1.004 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001049139508 674071470 /nfs/dbraw/zinc/07/14/70/674071470.db2.gz BFWOIZKNBYAGHC-AVGNSLFASA-N 1 0 340.424 -1.363 20 0 EAADRO CN(C(=O)CCCC[NH+](C)C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001049139590 674071919 /nfs/dbraw/zinc/07/19/19/674071919.db2.gz GCKAQJGJNVJHPR-RYUDHWBXSA-N 1 0 328.413 -1.376 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001049139857 674072114 /nfs/dbraw/zinc/07/21/14/674072114.db2.gz LNOCGNRWFDNYLN-AVGNSLFASA-N 1 0 340.424 -1.363 20 0 EAADRO O=C(CCn1cnccc1=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049140055 674071970 /nfs/dbraw/zinc/07/19/70/674071970.db2.gz HJUFWIICJDCOMT-HZSPNIEDSA-N 1 0 345.403 -1.088 20 0 EAADRO O=C(CCn1cnccc1=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049140056 674072069 /nfs/dbraw/zinc/07/20/69/674072069.db2.gz HJUFWIICJDCOMT-MJBXVCDLSA-N 1 0 345.403 -1.088 20 0 EAADRO CN(C(=O)CCCC[NH+](C)C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001049140136 674071991 /nfs/dbraw/zinc/07/19/91/674071991.db2.gz REJPNIYWDGZOJJ-RYUDHWBXSA-N 1 0 343.428 -1.583 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001049140174 674072006 /nfs/dbraw/zinc/07/20/06/674072006.db2.gz SJHMRRTWIZHCFG-AVGNSLFASA-N 1 0 340.424 -1.365 20 0 EAADRO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001049140236 674071927 /nfs/dbraw/zinc/07/19/27/674071927.db2.gz UJCQHAWBOUBMKD-AVGNSLFASA-N 1 0 340.424 -1.363 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001049140318 674071950 /nfs/dbraw/zinc/07/19/50/674071950.db2.gz WFTIOUCRYFJOOB-KBPBESRZSA-N 1 0 342.440 -1.116 20 0 EAADRO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049140384 674071974 /nfs/dbraw/zinc/07/19/74/674071974.db2.gz XJOFZAAWIPDTGZ-SRVKXCTJSA-N 1 0 326.397 -1.753 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001049140451 674072154 /nfs/dbraw/zinc/07/21/54/674072154.db2.gz XPBNWNYSVCZBRS-STQMWFEESA-N 1 0 342.440 -1.116 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001049140452 674072084 /nfs/dbraw/zinc/07/20/84/674072084.db2.gz XPGNEKKITYDYME-AVGNSLFASA-N 1 0 340.424 -1.363 20 0 EAADRO C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 ZINC001049140633 674072051 /nfs/dbraw/zinc/07/20/51/674072051.db2.gz OFNHFLHQHQNBDQ-RWMBFGLXSA-N 1 0 333.392 -1.103 20 0 EAADRO C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 ZINC001049140634 674071962 /nfs/dbraw/zinc/07/19/62/674071962.db2.gz OFNHFLHQHQNBDQ-UPJWGTAASA-N 1 0 333.392 -1.103 20 0 EAADRO NC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140692 674071983 /nfs/dbraw/zinc/07/19/83/674071983.db2.gz QJYXAFKGHFQSGA-RWMBFGLXSA-N 1 0 348.407 -1.196 20 0 EAADRO NC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140693 674072100 /nfs/dbraw/zinc/07/21/00/674072100.db2.gz QJYXAFKGHFQSGA-UPJWGTAASA-N 1 0 348.407 -1.196 20 0 EAADRO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 ZINC001049140883 674072137 /nfs/dbraw/zinc/07/21/37/674072137.db2.gz XEULBCNJAHEQRB-BETUJISGSA-N 1 0 333.392 -1.230 20 0 EAADRO CC(C)[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049144531 674072312 /nfs/dbraw/zinc/07/23/12/674072312.db2.gz ACHQVZRCRFEOOO-COPLHBTASA-N 1 0 328.413 -1.522 20 0 EAADRO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001049144534 674072563 /nfs/dbraw/zinc/07/25/63/674072563.db2.gz AFEMPGOKTBJELQ-RYUDHWBXSA-N 1 0 343.428 -1.583 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001049144647 674072502 /nfs/dbraw/zinc/07/25/02/674072502.db2.gz BYCKNAGDCFCJTJ-RYUDHWBXSA-N 1 0 339.400 -1.955 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O ZINC001049144683 674072368 /nfs/dbraw/zinc/07/23/68/674072368.db2.gz DFJVZYKDMWGCCQ-KBPBESRZSA-N 1 0 342.440 -1.163 20 0 EAADRO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001049144854 674072599 /nfs/dbraw/zinc/07/25/99/674072599.db2.gz GRUYXQHMFIAHCH-RYUDHWBXSA-N 1 0 328.413 -1.376 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1O ZINC001049145159 674072717 /nfs/dbraw/zinc/07/27/17/674072717.db2.gz LIYAKFCFFWFOOY-UBHSHLNASA-N 1 0 342.440 -1.117 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1O ZINC001049145161 674072285 /nfs/dbraw/zinc/07/22/85/674072285.db2.gz LIYAKFCFFWFOOY-XBFCOCLRSA-N 1 0 342.440 -1.117 20 0 EAADRO CC(C)[C@H](C(=O)N(C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001049145169 674072427 /nfs/dbraw/zinc/07/24/27/674072427.db2.gz LMLZPDOPFAOYRM-GMXVVIOVSA-N 1 0 343.428 -1.729 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001049145363 674072513 /nfs/dbraw/zinc/07/25/13/674072513.db2.gz PIDBHTIJULVQRD-QWRGUYRKSA-N 1 0 329.401 -1.973 20 0 EAADRO 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ZINC001049149197 674072655 /nfs/dbraw/zinc/07/26/55/674072655.db2.gz BHHPRXKYAVNYNZ-AVGNSLFASA-N 1 0 340.424 -1.506 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O ZINC001049149207 674072357 /nfs/dbraw/zinc/07/23/57/674072357.db2.gz BRSBXXWFZJWJFS-RYUDHWBXSA-N 1 0 338.412 -1.199 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001049149216 674072618 /nfs/dbraw/zinc/07/26/18/674072618.db2.gz CAFFUAXPUKAJJU-RYUDHWBXSA-N 1 0 340.424 -1.376 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O ZINC001049149217 674072743 /nfs/dbraw/zinc/07/27/43/674072743.db2.gz CAQCNTRFTSVPNZ-STQMWFEESA-N 1 0 338.412 -1.199 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1O ZINC001049149494 674072456 /nfs/dbraw/zinc/07/24/56/674072456.db2.gz GFPPNXKZELYLAA-SRVKXCTJSA-N 1 0 341.412 -1.960 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1O ZINC001049149495 674072633 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CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O ZINC001049150032 674072731 /nfs/dbraw/zinc/07/27/31/674072731.db2.gz ORRFFXXJDMVWQU-STQMWFEESA-N 1 0 342.440 -1.116 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001049150051 674072344 /nfs/dbraw/zinc/07/23/44/674072344.db2.gz PJSFDBWMAYXPJP-RYUDHWBXSA-N 1 0 342.440 -1.130 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O ZINC001049150070 674072972 /nfs/dbraw/zinc/07/29/72/674072972.db2.gz QDXCRRZIYRBVIG-STQMWFEESA-N 1 0 342.440 -1.163 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O ZINC001049150098 674073105 /nfs/dbraw/zinc/07/31/05/674073105.db2.gz REIUSADYWHFTFR-QWRGUYRKSA-N 1 0 339.400 -1.804 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1O ZINC001049150107 674073043 /nfs/dbraw/zinc/07/30/43/674073043.db2.gz RHTMKOURZXCMEB-SRVKXCTJSA-N 1 0 342.396 -1.533 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1O 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EAADRO CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001049349751 674086053 /nfs/dbraw/zinc/08/60/53/674086053.db2.gz YQQIENGJUKHBEX-RYUDHWBXSA-N 1 0 339.400 -1.955 20 0 EAADRO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049349772 674086050 /nfs/dbraw/zinc/08/60/50/674086050.db2.gz ZTWXCTVPXCMEMB-DCAQKATOSA-N 1 0 327.385 -2.350 20 0 EAADRO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049349773 674086046 /nfs/dbraw/zinc/08/60/46/674086046.db2.gz ZTWXCTVPXCMEMB-VWYCJHECSA-N 1 0 327.385 -2.350 20 0 EAADRO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001049365648 674086342 /nfs/dbraw/zinc/08/63/42/674086342.db2.gz FFJMWGGPWOQWQM-QWRGUYRKSA-N 1 0 328.413 -1.520 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001049365821 674086361 /nfs/dbraw/zinc/08/63/61/674086361.db2.gz HYDLHBZKNPWRJL-DCAQKATOSA-N 1 0 332.376 -1.818 20 0 EAADRO 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O=C(Cn1cncn1)N1CC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050238107 672627527 /nfs/dbraw/zinc/62/75/27/672627527.db2.gz VTKGZTVNTSQRPA-NWDGAFQWSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001050238108 672627567 /nfs/dbraw/zinc/62/75/67/672627567.db2.gz VTKGZTVNTSQRPA-RYUDHWBXSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050238110 672627563 /nfs/dbraw/zinc/62/75/63/672627563.db2.gz VTKGZTVNTSQRPA-VXGBXAGGSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001050238700 672627644 /nfs/dbraw/zinc/62/76/44/672627644.db2.gz XONDCFVRSKYPMS-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001050238701 672627664 /nfs/dbraw/zinc/62/76/64/672627664.db2.gz XONDCFVRSKYPMS-NWDGAFQWSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001050238702 672627620 /nfs/dbraw/zinc/62/76/20/672627620.db2.gz XONDCFVRSKYPMS-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001050238703 672627618 /nfs/dbraw/zinc/62/76/18/672627618.db2.gz XONDCFVRSKYPMS-VXGBXAGGSA-N 1 0 336.392 -1.148 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cnnn3)CC2)nc1=O ZINC001050290622 672629505 /nfs/dbraw/zinc/62/95/05/672629505.db2.gz FWHSKAKAXZVXGS-XYPYZODXSA-N 1 0 349.399 -1.440 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001050290628 672629479 /nfs/dbraw/zinc/62/94/79/672629479.db2.gz GMUGPRJNPMMUSQ-IJLUTSLNSA-N 1 0 349.395 -1.257 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001050290629 672629491 /nfs/dbraw/zinc/62/94/91/672629491.db2.gz GMUGPRJNPMMUSQ-SRVKXCTJSA-N 1 0 349.395 -1.257 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001050291925 672630023 /nfs/dbraw/zinc/63/00/23/672630023.db2.gz XFTSSRHTACXOLG-XYPYZODXSA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001050316704 672630689 /nfs/dbraw/zinc/63/06/89/672630689.db2.gz WMWHYFGOBFWLEF-XYPYZODXSA-N 1 0 349.399 -1.028 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001050325015 672632729 /nfs/dbraw/zinc/63/27/29/672632729.db2.gz KUDBGSYQPAOVFM-XYPYZODXSA-N 1 0 334.388 -1.339 20 0 EAADRO Cn1[nH]c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3ncnn3)CC2)nc1=O ZINC001050325024 672632784 /nfs/dbraw/zinc/63/27/84/672632784.db2.gz LISOIKAWZPTDTL-XYPYZODXSA-N 1 0 349.399 -1.440 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001050325327 672632777 /nfs/dbraw/zinc/63/27/77/672632777.db2.gz YHQXDPYIHRHHAJ-IJLUTSLNSA-N 1 0 349.395 -1.257 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001050325328 672632691 /nfs/dbraw/zinc/63/26/91/672632691.db2.gz YHQXDPYIHRHHAJ-SRVKXCTJSA-N 1 0 349.395 -1.257 20 0 EAADRO C[C@@H](NC(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001050349817 672636119 /nfs/dbraw/zinc/63/61/19/672636119.db2.gz NODFLVQHWAFFIB-NEPJUHHUSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@H](NC(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001050349835 672635921 /nfs/dbraw/zinc/63/59/21/672635921.db2.gz NODFLVQHWAFFIB-NWDGAFQWSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@H](NC(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001050349837 672635825 /nfs/dbraw/zinc/63/58/25/672635825.db2.gz NODFLVQHWAFFIB-RYUDHWBXSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001050349839 672636109 /nfs/dbraw/zinc/63/61/09/672636109.db2.gz NODFLVQHWAFFIB-VXGBXAGGSA-N 1 0 328.413 -1.207 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnnn3C)CC2)n1 ZINC001050354513 672637344 /nfs/dbraw/zinc/63/73/44/672637344.db2.gz ASLBRPYVKYTVPF-MGCOHNPYSA-N 1 0 334.388 -1.188 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)CC2)n1 ZINC001050355511 672637327 /nfs/dbraw/zinc/63/73/27/672637327.db2.gz VISZCVVFGOYRIB-DCAQKATOSA-N 1 0 349.395 -1.107 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)n1 ZINC001050355512 672637439 /nfs/dbraw/zinc/63/74/39/672637439.db2.gz VISZCVVFGOYRIB-GMTAPVOTSA-N 1 0 349.395 -1.107 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC001050355790 672637386 /nfs/dbraw/zinc/63/73/86/672637386.db2.gz YCPLSWYXCKBTSJ-MGCOHNPYSA-N 1 0 349.399 -1.290 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001050360684 672637665 /nfs/dbraw/zinc/63/76/65/672637665.db2.gz UQTGALZBVMRORD-DCAQKATOSA-N 1 0 336.400 -1.344 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001050360685 672637734 /nfs/dbraw/zinc/63/77/34/672637734.db2.gz UQTGALZBVMRORD-GMTAPVOTSA-N 1 0 336.400 -1.344 20 0 EAADRO Cn1nncc1C[NH+]1CCC2(CN(C(=O)Cn3cnnn3)C2)CC1 ZINC001050425061 672649366 /nfs/dbraw/zinc/64/93/66/672649366.db2.gz IIRUASCVPALOMP-UHFFFAOYSA-N 1 0 331.384 -1.074 20 0 EAADRO O=C(Cn1cnnn1)N1CC2(C1)CC[NH+](CC(=O)N1CCC1)CC2 ZINC001050425729 672649199 /nfs/dbraw/zinc/64/91/99/672649199.db2.gz WPHJIABQQPZEMB-UHFFFAOYSA-N 1 0 333.396 -1.170 20 0 EAADRO O=C(Cn1cnnn1)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001050425876 672649505 /nfs/dbraw/zinc/64/95/05/672649505.db2.gz BSFKBZCBLJORRJ-GFCCVEGCSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050425877 672649160 /nfs/dbraw/zinc/64/91/60/672649160.db2.gz BSFKBZCBLJORRJ-LBPRGKRZSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050426024 672649225 /nfs/dbraw/zinc/64/92/25/672649225.db2.gz HTZMWQPGAYDJEM-LLVKDONJSA-N 1 0 347.379 -1.597 20 0 EAADRO O=C(Cn1cnnn1)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001050426025 672649274 /nfs/dbraw/zinc/64/92/74/672649274.db2.gz HTZMWQPGAYDJEM-NSHDSACASA-N 1 0 347.379 -1.597 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC3(CN(C(=O)Cn4cnnn4)C3)CC2)C1=O ZINC001050426027 672649475 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O=C([C@H]1CCC(=O)N1)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050458726 672659066 /nfs/dbraw/zinc/65/90/66/672659066.db2.gz AJTMIDPQPATJNA-VXGBXAGGSA-N 1 0 348.403 -1.005 20 0 EAADRO NC(=O)CC(=O)N1CC2(C1)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001050468411 672660902 /nfs/dbraw/zinc/66/09/02/672660902.db2.gz SVKVTZFSZLGGPX-UHFFFAOYSA-N 1 0 338.408 -1.355 20 0 EAADRO NC(=O)CC(=O)N1CC2(C1)CC[NH+](CCN1C(=O)CNC1=O)CC2 ZINC001050469516 672661782 /nfs/dbraw/zinc/66/17/82/672661782.db2.gz MDXGMAFPJYTJJG-UHFFFAOYSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)CC(=O)N1CC2(C1)CC[NH+](CCN1C(=O)CCC1=O)CC2 ZINC001050469833 672661852 /nfs/dbraw/zinc/66/18/52/672661852.db2.gz TTZVZCGETIUYAO-UHFFFAOYSA-N 1 0 336.392 -1.065 20 0 EAADRO Cn1nnnc1CN1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 ZINC001050471674 672662275 /nfs/dbraw/zinc/66/22/75/672662275.db2.gz AQZVZGJHFWJIDI-CYBMUJFWSA-N 1 0 349.439 -1.035 20 0 EAADRO Cn1nnnc1CN1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 ZINC001050471675 672662448 /nfs/dbraw/zinc/66/24/48/672662448.db2.gz AQZVZGJHFWJIDI-ZDUSSCGKSA-N 1 0 349.439 -1.035 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050493832 672669350 /nfs/dbraw/zinc/66/93/50/672669350.db2.gz DZXPMSLGAYQHOE-LLVKDONJSA-N 1 0 334.380 -1.203 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050493833 672669417 /nfs/dbraw/zinc/66/94/17/672669417.db2.gz DZXPMSLGAYQHOE-NSHDSACASA-N 1 0 334.380 -1.203 20 0 EAADRO CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)CC1 ZINC001050494094 672669298 /nfs/dbraw/zinc/66/92/98/672669298.db2.gz JSKDICNLULCQPE-UHFFFAOYSA-N 1 0 336.396 -1.004 20 0 EAADRO COCCn1cc(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)nn1 ZINC001050514961 672672978 /nfs/dbraw/zinc/67/29/78/672672978.db2.gz AYGRLYDNGFCLAR-UHFFFAOYSA-N 1 0 336.396 -1.052 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[NH+](CC(=O)N1CCC1)CC2 ZINC001050517681 672674294 /nfs/dbraw/zinc/67/42/94/672674294.db2.gz AOTIMZMSXWZIGK-UHFFFAOYSA-N 1 0 333.396 -1.170 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[NH+](CCN1CCNC1=O)CC2 ZINC001050520052 672675175 /nfs/dbraw/zinc/67/51/75/672675175.db2.gz CLSYVSZQVPKCAZ-UHFFFAOYSA-N 1 0 348.411 -1.377 20 0 EAADRO O=C(C[NH+]1CCC2(CN(C(=O)Cn3ncnn3)C2)CC1)NC1CC1 ZINC001050520442 672675255 /nfs/dbraw/zinc/67/52/55/672675255.db2.gz HJPXVULUCRCVDN-UHFFFAOYSA-N 1 0 333.396 -1.124 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC3(CN(C(=O)Cn4ncnn4)C3)CC2)C1=O ZINC001050521535 672675067 /nfs/dbraw/zinc/67/50/67/672675067.db2.gz QQANXPKPKULMIE-GFCCVEGCSA-N 1 0 333.396 -1.172 20 0 EAADRO CN1CC[C@H]([NH+]2CCC3(CN(C(=O)Cn4ncnn4)C3)CC2)C1=O ZINC001050521536 672675028 /nfs/dbraw/zinc/67/50/28/672675028.db2.gz QQANXPKPKULMIE-LBPRGKRZSA-N 1 0 333.396 -1.172 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001050521551 672675083 /nfs/dbraw/zinc/67/50/83/672675083.db2.gz RBMWQDNMJZSBEM-GFCCVEGCSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050521552 672675032 /nfs/dbraw/zinc/67/50/32/672675032.db2.gz RBMWQDNMJZSBEM-LBPRGKRZSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050521635 672675353 /nfs/dbraw/zinc/67/53/53/672675353.db2.gz STDBJMPZQLLTDW-UHFFFAOYSA-N 1 0 331.384 -1.111 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050521784 672675333 /nfs/dbraw/zinc/67/53/33/672675333.db2.gz URWAQNPXFZWDRS-LLVKDONJSA-N 1 0 347.379 -1.597 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001050521785 672675059 /nfs/dbraw/zinc/67/50/59/672675059.db2.gz URWAQNPXFZWDRS-NSHDSACASA-N 1 0 347.379 -1.597 20 0 EAADRO Cn1nncc1C[NH+]1CCC2(CN(C(=O)Cn3ncnn3)C2)CC1 ZINC001050521859 672675150 /nfs/dbraw/zinc/67/51/50/672675150.db2.gz VHNMLLCRSRWSHA-UHFFFAOYSA-N 1 0 331.384 -1.074 20 0 EAADRO COCC[NH+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001050523421 672675365 /nfs/dbraw/zinc/67/53/65/672675365.db2.gz COBYRMLTAVQUOJ-UHFFFAOYSA-N 1 0 336.396 -1.052 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC3(C2)CC[NH+](CCCO)CC3)n1 ZINC001050524080 672675692 /nfs/dbraw/zinc/67/56/92/672675692.db2.gz SADTXRJIEKYVGH-UHFFFAOYSA-N 1 0 336.396 -1.316 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001050524666 672675583 /nfs/dbraw/zinc/67/55/83/672675583.db2.gz KSXHBOHHWFFDKQ-JTQLQIEISA-N 1 0 349.395 -1.825 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001050524787 672675757 /nfs/dbraw/zinc/67/57/57/672675757.db2.gz KSXHBOHHWFFDKQ-SNVBAGLBSA-N 1 0 349.395 -1.825 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001050524861 672675802 /nfs/dbraw/zinc/67/58/02/672675802.db2.gz OCNLHXTZAFUXKQ-UHFFFAOYSA-N 1 0 335.368 -2.213 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001050524875 672675578 /nfs/dbraw/zinc/67/55/78/672675578.db2.gz PFEXFOGDQJSIHF-LLVKDONJSA-N 1 0 336.396 -1.318 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001050524978 672675677 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EAADRO Cn1c(=O)ccn(CC(=O)N2CC3(C2)CC[NH+](CCO)CC3)c1=O ZINC001050540028 672676419 /nfs/dbraw/zinc/67/64/19/672676419.db2.gz YEUVMOCDCUTRSA-UHFFFAOYSA-N 1 0 336.392 -1.536 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050540075 672676495 /nfs/dbraw/zinc/67/64/95/672676495.db2.gz YXAJYOZAAHTERS-UHFFFAOYSA-N 1 0 331.438 -1.061 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001050548032 672678361 /nfs/dbraw/zinc/67/83/61/672678361.db2.gz QFXMYKPQTNGXKD-JTQLQIEISA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)CC1 ZINC001050548289 672678501 /nfs/dbraw/zinc/67/85/01/672678501.db2.gz QKPFYTZYDZMGNG-GFCCVEGCSA-N 1 0 338.408 -1.357 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)CC1 ZINC001050548290 672678436 /nfs/dbraw/zinc/67/84/36/672678436.db2.gz QKPFYTZYDZMGNG-LBPRGKRZSA-N 1 0 338.408 -1.357 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)CC1 ZINC001050548293 672678271 /nfs/dbraw/zinc/67/82/71/672678271.db2.gz QNSMCKUVXKCBHV-UHFFFAOYSA-N 1 0 338.408 -1.484 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001050549787 672678936 /nfs/dbraw/zinc/67/89/36/672678936.db2.gz CMYADGWXDMKELQ-UWVGGRQHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001050549789 672678825 /nfs/dbraw/zinc/67/88/25/672678825.db2.gz CMYADGWXDMKELQ-ZJUUUORDSA-N 1 0 337.380 -1.617 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050551474 672679863 /nfs/dbraw/zinc/67/98/63/672679863.db2.gz YDSMREYJJAOGNG-QWRGUYRKSA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050551478 672679921 /nfs/dbraw/zinc/67/99/21/672679921.db2.gz YDSMREYJJAOGNG-WDEREUQCSA-N 1 0 349.391 -1.603 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)CC1 ZINC001050569159 672683066 /nfs/dbraw/zinc/68/30/66/672683066.db2.gz FDHBOVRBYQRJPQ-LLVKDONJSA-N 1 0 348.407 -1.044 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)CC1 ZINC001050569163 672682972 /nfs/dbraw/zinc/68/29/72/672682972.db2.gz FDHBOVRBYQRJPQ-NSHDSACASA-N 1 0 348.407 -1.044 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)CC1 ZINC001050570129 672682999 /nfs/dbraw/zinc/68/29/99/672682999.db2.gz ADTFVJFXDRYRTB-UHFFFAOYSA-N 1 0 336.396 -1.748 20 0 EAADRO Cn1cnn(CC(=O)N2CC3(C2)CC[NH+]([C@@H]2CCNC2=O)CC3)c1=O ZINC001050570661 672683154 /nfs/dbraw/zinc/68/31/54/672683154.db2.gz FYBOYPNLCBAZRZ-GFCCVEGCSA-N 1 0 348.407 -1.605 20 0 EAADRO Cn1cnn(CC(=O)N2CC3(C2)CC[NH+]([C@H]2CCNC2=O)CC3)c1=O ZINC001050570662 672682949 /nfs/dbraw/zinc/68/29/49/672682949.db2.gz FYBOYPNLCBAZRZ-LBPRGKRZSA-N 1 0 348.407 -1.605 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)CC3CS(=O)(=O)C3)C2)CC1 ZINC001050571363 672683094 /nfs/dbraw/zinc/68/30/94/672683094.db2.gz MTADPUSRSWLXKU-UHFFFAOYSA-N 1 0 329.422 -1.169 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)CC1 ZINC001050571411 672683005 /nfs/dbraw/zinc/68/30/05/672683005.db2.gz NDOZDAXMEKJCKU-LLVKDONJSA-N 1 0 336.396 -1.620 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)CC1 ZINC001050571415 672683177 /nfs/dbraw/zinc/68/31/77/672683177.db2.gz NDOZDAXMEKJCKU-NSHDSACASA-N 1 0 336.396 -1.620 20 0 EAADRO CN1CCN(CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)CC1=O ZINC001050573145 672683818 /nfs/dbraw/zinc/68/38/18/672683818.db2.gz BIQQPFWQYWTQII-UHFFFAOYSA-N 1 0 337.424 -1.830 20 0 EAADRO O=C(c1cn[nH]n1)N1CC2(C1)CC[NH+](CCN1C(=O)CNC1=O)CC2 ZINC001050579212 672684963 /nfs/dbraw/zinc/68/49/63/672684963.db2.gz QGWJOVNQXMPLQX-UHFFFAOYSA-N 1 0 347.379 -1.106 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CC1 ZINC001050583193 672685129 /nfs/dbraw/zinc/68/51/29/672685129.db2.gz FLBRICZJODOPOW-UHFFFAOYSA-N 1 0 349.391 -1.381 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CC1 ZINC001050583495 672684993 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20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050603498 672694220 /nfs/dbraw/zinc/69/42/20/672694220.db2.gz BPWWGYHFIDYRHS-NSHDSACASA-N 1 0 345.421 -2.184 20 0 EAADRO CC[NH+]1CCC2(CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)CC1 ZINC001050606152 672694033 /nfs/dbraw/zinc/69/40/33/672694033.db2.gz RZTLYPCQBDMHLA-NSHDSACASA-N 1 0 329.422 -1.156 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)c1=O ZINC001050613828 672694552 /nfs/dbraw/zinc/69/45/52/672694552.db2.gz DLLYHCJVJDOXRT-UHFFFAOYSA-N 1 0 335.364 -1.491 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001050614570 672695258 /nfs/dbraw/zinc/69/52/58/672695258.db2.gz BRGWDNXROBVPCU-NEPJUHHUSA-N 1 0 348.403 -1.148 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050614571 672694948 /nfs/dbraw/zinc/69/49/48/672694948.db2.gz BRGWDNXROBVPCU-NWDGAFQWSA-N 1 0 348.403 -1.148 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001050614572 672695129 /nfs/dbraw/zinc/69/51/29/672695129.db2.gz BRGWDNXROBVPCU-RYUDHWBXSA-N 1 0 348.403 -1.148 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050614573 672694909 /nfs/dbraw/zinc/69/49/09/672694909.db2.gz BRGWDNXROBVPCU-VXGBXAGGSA-N 1 0 348.403 -1.148 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050616906 672695036 /nfs/dbraw/zinc/69/50/36/672695036.db2.gz FZXHAEBIMIZANG-CYBMUJFWSA-N 1 0 349.435 -1.769 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050616907 672695075 /nfs/dbraw/zinc/69/50/75/672695075.db2.gz FZXHAEBIMIZANG-ZDUSSCGKSA-N 1 0 349.435 -1.769 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)CC1 ZINC001050617112 672695005 /nfs/dbraw/zinc/69/50/05/672695005.db2.gz IOIYJHQYAWRJNP-UHFFFAOYSA-N 1 0 337.424 -1.911 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)CC1 ZINC001050618132 672695426 /nfs/dbraw/zinc/69/54/26/672695426.db2.gz 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Cn1nnc(C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCC2)CC3)n1 ZINC001050621598 672696946 /nfs/dbraw/zinc/69/69/46/672696946.db2.gz BFLDQDLBURJXMJ-UHFFFAOYSA-N 1 0 333.396 -1.020 20 0 EAADRO Cn1nnc(C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)CC3)n1 ZINC001050621712 672696928 /nfs/dbraw/zinc/69/69/28/672696928.db2.gz HPNZDSAXUHGTDB-UHFFFAOYSA-N 1 0 348.411 -1.227 20 0 EAADRO CN1CC[C@@H]([NH+]2CCC3(CN(C(=O)c4nnn(C)n4)C3)CC2)C1=O ZINC001050621922 672696843 /nfs/dbraw/zinc/69/68/43/672696843.db2.gz NQEZKRQBUCBLQK-LLVKDONJSA-N 1 0 333.396 -1.021 20 0 EAADRO CN1CC[C@H]([NH+]2CCC3(CN(C(=O)c4nnn(C)n4)C3)CC2)C1=O ZINC001050621923 672696817 /nfs/dbraw/zinc/69/68/17/672696817.db2.gz NQEZKRQBUCBLQK-NSHDSACASA-N 1 0 333.396 -1.021 20 0 EAADRO Cn1nnc(C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)n1 ZINC001050622260 672696749 /nfs/dbraw/zinc/69/67/49/672696749.db2.gz YKODNYHEHQPFHH-JTQLQIEISA-N 1 0 347.379 -1.447 20 0 EAADRO Cn1nnc(C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)n1 ZINC001050622271 672696792 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O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050640738 672704968 /nfs/dbraw/zinc/70/49/68/672704968.db2.gz KEIADECGAULTFE-WDEREUQCSA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(C[NH+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)CC1)NC1CC1 ZINC001050641101 672704620 /nfs/dbraw/zinc/70/46/20/672704620.db2.gz PGVCMUNHFOPBDL-GFCCVEGCSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1)NC1CC1 ZINC001050641102 672704749 /nfs/dbraw/zinc/70/47/49/672704749.db2.gz PGVCMUNHFOPBDL-LBPRGKRZSA-N 1 0 335.408 -1.129 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050641623 672705188 /nfs/dbraw/zinc/70/51/88/672705188.db2.gz UKBWKTOFFZKIAL-GFCCVEGCSA-N 1 0 333.396 -1.116 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050641624 672705520 /nfs/dbraw/zinc/70/55/20/672705520.db2.gz UKBWKTOFFZKIAL-LBPRGKRZSA-N 1 0 333.396 -1.116 20 0 EAADRO Cn1nncc1C[NH+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001050642000 672705150 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335.408 -1.129 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC001050642470 672705769 /nfs/dbraw/zinc/70/57/69/672705769.db2.gz FLLDSBYRVWQTMG-UHFFFAOYSA-N 1 0 344.437 -1.568 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[NH+](C[C@H](O)CN1CCCC1=O)CC2 ZINC001050642482 672705857 /nfs/dbraw/zinc/70/58/57/672705857.db2.gz FOLYMDDGMXMJEQ-LBPRGKRZSA-N 1 0 338.408 -1.621 20 0 EAADRO NC(=O)C1(C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)CC1 ZINC001050642572 672706008 /nfs/dbraw/zinc/70/60/08/672706008.db2.gz JYPXDVDLDUNNHH-LLVKDONJSA-N 1 0 348.403 -1.019 20 0 EAADRO NC(=O)C1(C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)CC1 ZINC001050642573 672705876 /nfs/dbraw/zinc/70/58/76/672705876.db2.gz JYPXDVDLDUNNHH-NSHDSACASA-N 1 0 348.403 -1.019 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[NH+](C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001050642954 672705817 /nfs/dbraw/zinc/70/58/17/672705817.db2.gz ORQHXXSGARRGEC-LLVKDONJSA-N 1 0 329.422 -1.169 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001050642957 672705735 /nfs/dbraw/zinc/70/57/35/672705735.db2.gz ORQHXXSGARRGEC-NSHDSACASA-N 1 0 329.422 -1.169 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[NH+](CCCN1C(=O)CNC1=O)CC2 ZINC001050644039 672705843 /nfs/dbraw/zinc/70/58/43/672705843.db2.gz CVMVODNTCHBDTQ-UHFFFAOYSA-N 1 0 337.380 -1.662 20 0 EAADRO Cn1c(C[NH+]2CCC3(CN(C(=O)C(N)=O)C3)CC2)cc(=O)n(C)c1=O ZINC001050644420 672705808 /nfs/dbraw/zinc/70/58/08/672705808.db2.gz KBNTUDILRLGNBS-UHFFFAOYSA-N 1 0 349.391 -2.006 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH+]2CCC3(CN(C(=O)C(N)=O)C3)CC2)CCO1 ZINC001050645085 672705826 /nfs/dbraw/zinc/70/58/26/672705826.db2.gz ZVMSWJQUHOUJBY-GFCCVEGCSA-N 1 0 338.408 -1.357 20 0 EAADRO C[C@H]1CN(C(=O)C[NH+]2CCC3(CN(C(=O)C(N)=O)C3)CC2)CCO1 ZINC001050645087 672705797 /nfs/dbraw/zinc/70/57/97/672705797.db2.gz ZVMSWJQUHOUJBY-LBPRGKRZSA-N 1 0 338.408 -1.357 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050655090 672707368 /nfs/dbraw/zinc/70/73/68/672707368.db2.gz HBDGGLTXXXMYGV-UHFFFAOYSA-N 1 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C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC001050682602 672709249 /nfs/dbraw/zinc/70/92/49/672709249.db2.gz HYKFQKPNMPVPGV-UWVGGRQHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC001050682604 672709259 /nfs/dbraw/zinc/70/92/59/672709259.db2.gz HYKFQKPNMPVPGV-ZJUUUORDSA-N 1 0 337.380 -1.617 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050683118 672709040 /nfs/dbraw/zinc/70/90/40/672709040.db2.gz YJLQFRAOHLDLLF-QWRGUYRKSA-N 1 0 349.391 -1.603 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050683119 672709067 /nfs/dbraw/zinc/70/90/67/672709067.db2.gz YJLQFRAOHLDLLF-WDEREUQCSA-N 1 0 349.391 -1.603 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC001050683168 672708937 /nfs/dbraw/zinc/70/89/37/672708937.db2.gz ZUSGAQWJNNWZBK-JTQLQIEISA-N 1 0 337.380 -1.745 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)c(=O)n(C)c1=O ZINC001050684477 672709147 /nfs/dbraw/zinc/70/91/47/672709147.db2.gz JBCJEIMKVVBPFU-UHFFFAOYSA-N 1 0 349.391 -1.893 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CC[NH+](CCO)CC3)c(=O)n(C)c1=O ZINC001050685019 672709210 /nfs/dbraw/zinc/70/92/10/672709210.db2.gz VQPQPKVHOFIABC-UHFFFAOYSA-N 1 0 336.392 -1.386 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050686915 672709461 /nfs/dbraw/zinc/70/94/61/672709461.db2.gz MSXHJLYTIQFDNC-UHFFFAOYSA-N 1 0 346.391 -1.192 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1=O ZINC001050688271 672709855 /nfs/dbraw/zinc/70/98/55/672709855.db2.gz XDOVZEVBYUOFMK-UHFFFAOYSA-N 1 0 338.364 -1.676 20 0 EAADRO CN1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)S1(=O)=O ZINC001050695283 672710367 /nfs/dbraw/zinc/71/03/67/672710367.db2.gz CQJVUHQLRFVKFH-GFCCVEGCSA-N 1 0 331.438 -1.063 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)S1(=O)=O ZINC001050695285 672710995 /nfs/dbraw/zinc/71/09/95/672710995.db2.gz CQJVUHQLRFVKFH-LBPRGKRZSA-N 1 0 331.438 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ZINC001050699883 672711409 /nfs/dbraw/zinc/71/14/09/672711409.db2.gz WZNGYNZINLXDIP-LBPRGKRZSA-N 1 0 348.403 -1.148 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)CC1 ZINC001050699894 672711293 /nfs/dbraw/zinc/71/12/93/672711293.db2.gz XDAXOHFCZVYNAT-JTQLQIEISA-N 1 0 336.392 -1.163 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)CC1 ZINC001050699895 672711431 /nfs/dbraw/zinc/71/14/31/672711431.db2.gz XDAXOHFCZVYNAT-SNVBAGLBSA-N 1 0 336.392 -1.163 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)CC1 ZINC001050699912 672711311 /nfs/dbraw/zinc/71/13/11/672711311.db2.gz YBNUCRLNOCMKPO-UHFFFAOYSA-N 1 0 336.392 -1.290 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)CC1 ZINC001050700151 672711275 /nfs/dbraw/zinc/71/12/75/672711275.db2.gz AKOOUCQJGSWAPT-UHFFFAOYSA-N 1 0 349.391 -1.664 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050700672 672711217 /nfs/dbraw/zinc/71/12/17/672711217.db2.gz 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/nfs/dbraw/zinc/72/28/76/672722876.db2.gz OSVHPFVNIUSYEG-JTQLQIEISA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)CC1 ZINC001050748394 672723123 /nfs/dbraw/zinc/72/31/23/672723123.db2.gz OSVHPFVNIUSYEG-SNVBAGLBSA-N 1 0 337.380 -1.616 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001050748542 672723325 /nfs/dbraw/zinc/72/33/25/672723325.db2.gz QOOJXYNIIPXKNS-UHFFFAOYSA-N 1 0 337.380 -1.791 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001050748552 672722943 /nfs/dbraw/zinc/72/29/43/672722943.db2.gz RBZUPINXVKMEKS-JTQLQIEISA-N 1 0 337.380 -1.664 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001050748553 672722976 /nfs/dbraw/zinc/72/29/76/672722976.db2.gz RBZUPINXVKMEKS-SNVBAGLBSA-N 1 0 337.380 -1.664 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050748566 672723277 /nfs/dbraw/zinc/72/32/77/672723277.db2.gz RXYNGFDJMPVFPV-LLVKDONJSA-N 1 0 349.391 -1.649 20 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/nfs/dbraw/zinc/72/28/94/672722894.db2.gz WMHGHTIRKUBYOC-UHFFFAOYSA-N 1 0 336.392 -1.194 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)CC1 ZINC001050750033 672723299 /nfs/dbraw/zinc/72/32/99/672723299.db2.gz YNRRBJOLXLADET-LLVKDONJSA-N 1 0 336.392 -1.066 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)CC1 ZINC001050750034 672722926 /nfs/dbraw/zinc/72/29/26/672722926.db2.gz YNRRBJOLXLADET-NSHDSACASA-N 1 0 336.392 -1.066 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)CC1 ZINC001050752257 672723748 /nfs/dbraw/zinc/72/37/48/672723748.db2.gz GIISDFVGVGYXQC-JTQLQIEISA-N 1 0 349.391 -1.102 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)CC1 ZINC001050752258 672723529 /nfs/dbraw/zinc/72/35/29/672723529.db2.gz GIISDFVGVGYXQC-SNVBAGLBSA-N 1 0 349.391 -1.102 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)c(=O)[nH]c1=O ZINC001050752575 672723772 /nfs/dbraw/zinc/72/37/72/672723772.db2.gz MDIPQWOQSDWVFP-UHFFFAOYSA-N 1 0 335.364 -1.491 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)CC1 ZINC001050752802 672723680 /nfs/dbraw/zinc/72/36/80/672723680.db2.gz SIFRPHZJIMFITA-UHFFFAOYSA-N 1 0 349.391 -1.230 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050753176 672723799 /nfs/dbraw/zinc/72/37/99/672723799.db2.gz CQXCVOXSUUMSAM-UHFFFAOYSA-N 1 0 345.465 -1.367 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050757868 672724024 /nfs/dbraw/zinc/72/40/24/672724024.db2.gz AHMGACAZUGYCKH-GHMZBOCLSA-N 1 0 344.437 -1.524 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050757869 672724133 /nfs/dbraw/zinc/72/41/33/672724133.db2.gz AHMGACAZUGYCKH-MNOVXSKESA-N 1 0 344.437 -1.524 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050757870 672724265 /nfs/dbraw/zinc/72/42/65/672724265.db2.gz AHMGACAZUGYCKH-QWRGUYRKSA-N 1 0 344.437 -1.524 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050757871 672724234 /nfs/dbraw/zinc/72/42/34/672724234.db2.gz AHMGACAZUGYCKH-WDEREUQCSA-N 1 0 344.437 -1.524 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050757932 672723972 /nfs/dbraw/zinc/72/39/72/672723972.db2.gz CIHPLRIDYVQISQ-LLVKDONJSA-N 1 0 344.437 -1.652 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050757933 672724261 /nfs/dbraw/zinc/72/42/61/672724261.db2.gz CIHPLRIDYVQISQ-NSHDSACASA-N 1 0 344.437 -1.652 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050758744 672724170 /nfs/dbraw/zinc/72/41/70/672724170.db2.gz PLLMTRCVMAHHMH-NEPJUHHUSA-N 1 0 331.438 -1.017 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050758745 672724070 /nfs/dbraw/zinc/72/40/70/672724070.db2.gz PLLMTRCVMAHHMH-NWDGAFQWSA-N 1 0 331.438 -1.017 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050758746 672724050 /nfs/dbraw/zinc/72/40/50/672724050.db2.gz PLLMTRCVMAHHMH-RYUDHWBXSA-N 1 0 331.438 -1.017 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050758747 672724144 /nfs/dbraw/zinc/72/41/44/672724144.db2.gz PLLMTRCVMAHHMH-VXGBXAGGSA-N 1 0 331.438 -1.017 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050758800 672724128 /nfs/dbraw/zinc/72/41/28/672724128.db2.gz QZZDAUWJIIXBLD-GFCCVEGCSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050758801 672724081 /nfs/dbraw/zinc/72/40/81/672724081.db2.gz QZZDAUWJIIXBLD-LBPRGKRZSA-N 1 0 331.438 -1.015 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050759168 672724207 /nfs/dbraw/zinc/72/42/07/672724207.db2.gz ZQRBPMYNYRCFFL-JTQLQIEISA-N 1 0 330.410 -1.912 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001050759169 672724213 /nfs/dbraw/zinc/72/42/13/672724213.db2.gz ZQRBPMYNYRCFFL-SNVBAGLBSA-N 1 0 330.410 -1.912 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050761503 672723996 /nfs/dbraw/zinc/72/39/96/672723996.db2.gz SERIWVUXRAUCED-CYBMUJFWSA-N 1 0 338.408 -1.357 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050761504 672724245 /nfs/dbraw/zinc/72/42/45/672724245.db2.gz SERIWVUXRAUCED-ZDUSSCGKSA-N 1 0 338.408 -1.357 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)CC1 ZINC001050764499 672724600 /nfs/dbraw/zinc/72/46/00/672724600.db2.gz CVILHPVDRJXNRT-JTQLQIEISA-N 1 0 349.395 -1.825 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)CC1 ZINC001050764504 672724467 /nfs/dbraw/zinc/72/44/67/672724467.db2.gz CVILHPVDRJXNRT-SNVBAGLBSA-N 1 0 349.395 -1.825 20 0 EAADRO COCC[NH+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)CC1 ZINC001050764554 672724630 /nfs/dbraw/zinc/72/46/30/672724630.db2.gz DQILMXLIRJZJOS-UHFFFAOYSA-N 1 0 336.396 -1.052 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)nn1 ZINC001050764598 672724520 /nfs/dbraw/zinc/72/45/20/672724520.db2.gz FKTMZPSFLHEIAG-UHFFFAOYSA-N 1 0 335.368 -2.213 20 0 EAADRO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)CC1 ZINC001050764913 672724402 /nfs/dbraw/zinc/72/44/02/672724402.db2.gz JEDPJKIZTAXRTL-LLVKDONJSA-N 1 0 336.396 -1.318 20 0 EAADRO C[C@H](O)C[NH+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)CC1 ZINC001050764916 672724696 /nfs/dbraw/zinc/72/46/96/672724696.db2.gz JEDPJKIZTAXRTL-NSHDSACASA-N 1 0 336.396 -1.318 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)CC1 ZINC001050765465 672724534 /nfs/dbraw/zinc/72/45/34/672724534.db2.gz QYHHQRPOQIOJQT-UHFFFAOYSA-N 1 0 349.395 -1.953 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[NH+](CCCO)CC3)nn1 ZINC001050765472 672724641 /nfs/dbraw/zinc/72/46/41/672724641.db2.gz RJASXWRHKPSSQH-UHFFFAOYSA-N 1 0 336.396 -1.316 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)CC1 ZINC001050775575 672726059 /nfs/dbraw/zinc/72/60/59/672726059.db2.gz UFAZHBPZJBNWDP-LLVKDONJSA-N 1 0 336.392 -1.290 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)CC1 ZINC001050775576 672726146 /nfs/dbraw/zinc/72/61/46/672726146.db2.gz UFAZHBPZJBNWDP-NSHDSACASA-N 1 0 336.392 -1.290 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050775806 672726229 /nfs/dbraw/zinc/72/62/29/672726229.db2.gz YSEHHFYXJNWUAN-NEPJUHHUSA-N 1 0 348.403 -1.148 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050775809 672726208 /nfs/dbraw/zinc/72/62/08/672726208.db2.gz YSEHHFYXJNWUAN-NWDGAFQWSA-N 1 0 348.403 -1.148 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050775812 672726018 /nfs/dbraw/zinc/72/60/18/672726018.db2.gz YSEHHFYXJNWUAN-RYUDHWBXSA-N 1 0 348.403 -1.148 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050775815 672725995 /nfs/dbraw/zinc/72/59/95/672725995.db2.gz YSEHHFYXJNWUAN-VXGBXAGGSA-N 1 0 348.403 -1.148 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)CC1 ZINC001050775817 672725904 /nfs/dbraw/zinc/72/59/04/672725904.db2.gz YSWHHDOTRJTDTQ-GHMZBOCLSA-N 1 0 336.392 -1.163 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)CC1 ZINC001050775821 672726106 /nfs/dbraw/zinc/72/61/06/672726106.db2.gz YSWHHDOTRJTDTQ-MNOVXSKESA-N 1 0 336.392 -1.163 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)CC1 ZINC001050775825 672725937 /nfs/dbraw/zinc/72/59/37/672725937.db2.gz YSWHHDOTRJTDTQ-QWRGUYRKSA-N 1 0 336.392 -1.163 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)CC1 ZINC001050775829 672726192 /nfs/dbraw/zinc/72/61/92/672726192.db2.gz YSWHHDOTRJTDTQ-WDEREUQCSA-N 1 0 336.392 -1.163 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801296 672734243 /nfs/dbraw/zinc/73/42/43/672734243.db2.gz ZKSPKAKVKCUMDF-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801298 672734247 /nfs/dbraw/zinc/73/42/47/672734247.db2.gz ZKSPKAKVKCUMDF-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801300 672734234 /nfs/dbraw/zinc/73/42/34/672734234.db2.gz ZKSPKAKVKCUMDF-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801301 672734179 /nfs/dbraw/zinc/73/41/79/672734179.db2.gz ZKSPKAKVKCUMDF-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO Cn1[nH]c(CN2CCOC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001050849744 672742245 /nfs/dbraw/zinc/74/22/45/672742245.db2.gz YTZUDVULQJZWRT-NEPJUHHUSA-N 1 0 338.412 -1.480 20 0 EAADRO Cn1[nH]c(CN2CCOC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001050849747 672742490 /nfs/dbraw/zinc/74/24/90/672742490.db2.gz YTZUDVULQJZWRT-NWDGAFQWSA-N 1 0 338.412 -1.480 20 0 EAADRO Cn1[nH]c(CN2CCOC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001050849749 672742377 /nfs/dbraw/zinc/74/23/77/672742377.db2.gz YTZUDVULQJZWRT-RYUDHWBXSA-N 1 0 338.412 -1.480 20 0 EAADRO Cn1[nH]c(CN2CCOC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001050849751 672742294 /nfs/dbraw/zinc/74/22/94/672742294.db2.gz YTZUDVULQJZWRT-VXGBXAGGSA-N 1 0 338.412 -1.480 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2COCCN2CCO)n1 ZINC001050920275 672758445 /nfs/dbraw/zinc/75/84/45/672758445.db2.gz DZDDAEHNBYPDIP-CYBMUJFWSA-N 1 0 325.413 -1.132 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2COCCN2CCO)n1 ZINC001050920277 672758331 /nfs/dbraw/zinc/75/83/31/672758331.db2.gz DZDDAEHNBYPDIP-ZDUSSCGKSA-N 1 0 325.413 -1.132 20 0 EAADRO Cn1nnnc1CN1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050920618 672758587 /nfs/dbraw/zinc/75/85/87/672758587.db2.gz JDMRLUGHAGBZKJ-KBPBESRZSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1CN1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050920621 672758572 /nfs/dbraw/zinc/75/85/72/672758572.db2.gz JDMRLUGHAGBZKJ-KGLIPLIRSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920622 672758553 /nfs/dbraw/zinc/75/85/53/672758553.db2.gz JDMRLUGHAGBZKJ-UONOGXRCSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1CN1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920625 672758520 /nfs/dbraw/zinc/75/85/20/672758520.db2.gz JDMRLUGHAGBZKJ-ZIAGYGMSSA-N 1 0 349.439 -1.131 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2COCCN2CC(N)=O)n1 ZINC001050921152 672758545 /nfs/dbraw/zinc/75/85/45/672758545.db2.gz OZCMXCNUHAKJLA-GFCCVEGCSA-N 1 0 338.412 -1.639 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2COCCN2CC(N)=O)n1 ZINC001050921153 672758592 /nfs/dbraw/zinc/75/85/92/672758592.db2.gz OZCMXCNUHAKJLA-LBPRGKRZSA-N 1 0 338.412 -1.639 20 0 EAADRO Cn1nnc(CN2CCOC[C@@H]2CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001050922060 672758561 /nfs/dbraw/zinc/75/85/61/672758561.db2.gz XTIPWNQJUUCUTB-KBPBESRZSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnc(CN2CCOC[C@H]2CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001050922061 672758364 /nfs/dbraw/zinc/75/83/64/672758364.db2.gz XTIPWNQJUUCUTB-KGLIPLIRSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnc(CN2CCOC[C@@H]2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001050922062 672758424 /nfs/dbraw/zinc/75/84/24/672758424.db2.gz XTIPWNQJUUCUTB-UONOGXRCSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnc(CN2CCOC[C@H]2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001050922063 672758449 /nfs/dbraw/zinc/75/84/49/672758449.db2.gz XTIPWNQJUUCUTB-ZIAGYGMSSA-N 1 0 349.439 -1.131 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2Cc2nnn(C)n2)CC[N@@H+]1C ZINC001050922852 672758524 /nfs/dbraw/zinc/75/85/24/672758524.db2.gz GGTUOYMKZDIPFL-FRRDWIJNSA-N 1 0 337.428 -1.133 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2Cc2nnn(C)n2)CC[N@@H+]1C ZINC001050922853 672758375 /nfs/dbraw/zinc/75/83/75/672758375.db2.gz GGTUOYMKZDIPFL-JHJVBQTASA-N 1 0 337.428 -1.133 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2Cc2nnnn2C)CC[N@@H+]1C ZINC001050923772 672758920 /nfs/dbraw/zinc/75/89/20/672758920.db2.gz VBUGZIKGUDTPLA-FRRDWIJNSA-N 1 0 337.428 -1.133 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2Cc2nnnn2C)CC[N@@H+]1C ZINC001050923773 672758775 /nfs/dbraw/zinc/75/87/75/672758775.db2.gz VBUGZIKGUDTPLA-JHJVBQTASA-N 1 0 337.428 -1.133 20 0 EAADRO O=C(NC[C@H]1COCCN1CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051029176 672774668 /nfs/dbraw/zinc/77/46/68/672774668.db2.gz JFVJXNCOIBGCFU-IOSBVQAASA-N 1 0 325.409 -1.341 20 0 EAADRO O=C(NC[C@@H]1COCCN1CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051029177 672774580 /nfs/dbraw/zinc/77/45/80/672774580.db2.gz JFVJXNCOIBGCFU-IQXANGCESA-N 1 0 325.409 -1.341 20 0 EAADRO O=C(NC[C@@H]1COCCN1CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051029178 672774502 /nfs/dbraw/zinc/77/45/02/672774502.db2.gz JFVJXNCOIBGCFU-MYMJJRTCSA-N 1 0 325.409 -1.341 20 0 EAADRO O=C(NC[C@H]1COCCN1CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051029179 672774650 /nfs/dbraw/zinc/77/46/50/672774650.db2.gz JFVJXNCOIBGCFU-WJEHIRDRSA-N 1 0 325.409 -1.341 20 0 EAADRO NC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030393 672774517 /nfs/dbraw/zinc/77/45/17/672774517.db2.gz YQSCJAZNNGFHNA-BTJONVMOSA-N 1 0 338.408 -1.848 20 0 EAADRO NC(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030394 672774477 /nfs/dbraw/zinc/77/44/77/672774477.db2.gz YQSCJAZNNGFHNA-BWAOXVRWSA-N 1 0 338.408 -1.848 20 0 EAADRO NC(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030395 672774737 /nfs/dbraw/zinc/77/47/37/672774737.db2.gz YQSCJAZNNGFHNA-LGESCRJUSA-N 1 0 338.408 -1.848 20 0 EAADRO NC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030396 672774428 /nfs/dbraw/zinc/77/44/28/672774428.db2.gz YQSCJAZNNGFHNA-WULFKBJJSA-N 1 0 338.408 -1.848 20 0 EAADRO CNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051081659 672779452 /nfs/dbraw/zinc/77/94/52/672779452.db2.gz LXWAIWWVKLJOCA-KBPBESRZSA-N 1 0 342.440 -1.341 20 0 EAADRO CNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051081662 672779279 /nfs/dbraw/zinc/77/92/79/672779279.db2.gz LXWAIWWVKLJOCA-KGLIPLIRSA-N 1 0 342.440 -1.341 20 0 EAADRO CNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051081663 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O=C(C1=COCCO1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051412057 672792552 /nfs/dbraw/zinc/79/25/52/672792552.db2.gz AXWDAQUBRZZUMV-QWRGUYRKSA-N 1 0 339.348 -1.503 20 0 EAADRO O=C(C1=COCCO1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051412058 672792556 /nfs/dbraw/zinc/79/25/56/672792556.db2.gz AXWDAQUBRZZUMV-WDEREUQCSA-N 1 0 339.348 -1.503 20 0 EAADRO O=C(C1=COCCO1)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051414666 672792525 /nfs/dbraw/zinc/79/25/25/672792525.db2.gz YGVKDMMKIWDVFW-NEPJUHHUSA-N 1 0 325.365 -1.030 20 0 EAADRO O=C(C1=COCCO1)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051414667 672792472 /nfs/dbraw/zinc/79/24/72/672792472.db2.gz YGVKDMMKIWDVFW-NWDGAFQWSA-N 1 0 325.365 -1.030 20 0 EAADRO O=C(C1=COCCO1)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051414668 672792614 /nfs/dbraw/zinc/79/26/14/672792614.db2.gz YGVKDMMKIWDVFW-RYUDHWBXSA-N 1 0 325.365 -1.030 20 0 EAADRO O=C(C1=COCCO1)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051414669 672792662 /nfs/dbraw/zinc/79/26/62/672792662.db2.gz YGVKDMMKIWDVFW-VXGBXAGGSA-N 1 0 325.365 -1.030 20 0 EAADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)nn1 ZINC001051417017 672792630 /nfs/dbraw/zinc/79/26/30/672792630.db2.gz ADOJTOIYCAGUKG-GFCCVEGCSA-N 1 0 348.367 -1.511 20 0 EAADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)nn1 ZINC001051417030 672792485 /nfs/dbraw/zinc/79/24/85/672792485.db2.gz ADOJTOIYCAGUKG-LBPRGKRZSA-N 1 0 348.367 -1.511 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051417369 672793199 /nfs/dbraw/zinc/79/31/99/672793199.db2.gz DSZLDGLWEZJOLE-NXEZZACHSA-N 1 0 349.347 -1.582 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051417373 672793058 /nfs/dbraw/zinc/79/30/58/672793058.db2.gz DSZLDGLWEZJOLE-UWVGGRQHSA-N 1 0 349.347 -1.582 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051417375 672793003 /nfs/dbraw/zinc/79/30/03/672793003.db2.gz DSZLDGLWEZJOLE-VHSXEESVSA-N 1 0 349.347 -1.582 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051417377 672793175 /nfs/dbraw/zinc/79/31/75/672793175.db2.gz DSZLDGLWEZJOLE-ZJUUUORDSA-N 1 0 349.347 -1.582 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051417446 672793201 /nfs/dbraw/zinc/79/32/01/672793201.db2.gz DELGLMIHBXMVJI-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051417451 672792960 /nfs/dbraw/zinc/79/29/60/672792960.db2.gz DELGLMIHBXMVJI-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051417453 672793195 /nfs/dbraw/zinc/79/31/95/672793195.db2.gz DELGLMIHBXMVJI-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051417455 672793086 /nfs/dbraw/zinc/79/30/86/672793086.db2.gz DELGLMIHBXMVJI-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)nn1C ZINC001051417468 672793225 /nfs/dbraw/zinc/79/32/25/672793225.db2.gz DJXZNRYRIWWKEH-CYBMUJFWSA-N 1 0 334.384 -1.268 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)nn1C ZINC001051417469 672792901 /nfs/dbraw/zinc/79/29/01/672792901.db2.gz DJXZNRYRIWWKEH-ZDUSSCGKSA-N 1 0 334.384 -1.268 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1=O ZINC001051417717 672793218 /nfs/dbraw/zinc/79/32/18/672793218.db2.gz HUMARRAGAGKKHZ-GHMZBOCLSA-N 1 0 335.364 -1.157 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1=O ZINC001051417721 672793132 /nfs/dbraw/zinc/79/31/32/672793132.db2.gz HUMARRAGAGKKHZ-MNOVXSKESA-N 1 0 335.364 -1.157 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1=O ZINC001051417723 672793152 /nfs/dbraw/zinc/79/31/52/672793152.db2.gz HUMARRAGAGKKHZ-QWRGUYRKSA-N 1 0 335.364 -1.157 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1=O ZINC001051417725 672793237 /nfs/dbraw/zinc/79/32/37/672793237.db2.gz HUMARRAGAGKKHZ-WDEREUQCSA-N 1 0 335.364 -1.157 20 0 EAADRO O=C(c1cc[n+]([O-])cc1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051417833 672793141 /nfs/dbraw/zinc/79/31/41/672793141.db2.gz IAKWMJZLMSJIKO-CHWSQXEVSA-N 1 0 348.359 -1.444 20 0 EAADRO O=C(c1cc[n+]([O-])cc1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051417834 672793037 /nfs/dbraw/zinc/79/30/37/672793037.db2.gz IAKWMJZLMSJIKO-OLZOCXBDSA-N 1 0 348.359 -1.444 20 0 EAADRO O=C(c1cc[n+]([O-])cc1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051417835 672793170 /nfs/dbraw/zinc/79/31/70/672793170.db2.gz IAKWMJZLMSJIKO-QWHCGFSZSA-N 1 0 348.359 -1.444 20 0 EAADRO O=C(c1cc[n+]([O-])cc1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051417836 672793032 /nfs/dbraw/zinc/79/30/32/672793032.db2.gz IAKWMJZLMSJIKO-STQMWFEESA-N 1 0 348.359 -1.444 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1=O ZINC001051417889 672793186 /nfs/dbraw/zinc/79/31/86/672793186.db2.gz JDOSMXJJPYZICP-KBPBESRZSA-N 1 0 334.376 -1.019 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1=O ZINC001051417890 672792934 /nfs/dbraw/zinc/79/29/34/672792934.db2.gz JDOSMXJJPYZICP-KGLIPLIRSA-N 1 0 334.376 -1.019 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1=O ZINC001051417891 672793092 /nfs/dbraw/zinc/79/30/92/672793092.db2.gz JDOSMXJJPYZICP-UONOGXRCSA-N 1 0 334.376 -1.019 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1=O ZINC001051417892 672792982 /nfs/dbraw/zinc/79/29/82/672792982.db2.gz JDOSMXJJPYZICP-ZIAGYGMSSA-N 1 0 334.376 -1.019 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051419522 672793099 /nfs/dbraw/zinc/79/30/99/672793099.db2.gz SRHCSGVFHHDPQK-GHMZBOCLSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051419523 672793167 /nfs/dbraw/zinc/79/31/67/672793167.db2.gz SRHCSGVFHHDPQK-MNOVXSKESA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051419524 672792949 /nfs/dbraw/zinc/79/29/49/672792949.db2.gz SRHCSGVFHHDPQK-QWRGUYRKSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051419525 672792875 /nfs/dbraw/zinc/79/28/75/672792875.db2.gz SRHCSGVFHHDPQK-WDEREUQCSA-N 1 0 335.364 -1.109 20 0 EAADRO COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051420194 672793695 /nfs/dbraw/zinc/79/36/95/672793695.db2.gz GOSOLDLQJPLFBH-GFCCVEGCSA-N 1 0 348.367 -1.511 20 0 EAADRO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051420195 672793574 /nfs/dbraw/zinc/79/35/74/672793574.db2.gz GOSOLDLQJPLFBH-LBPRGKRZSA-N 1 0 348.367 -1.511 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051420204 672793735 /nfs/dbraw/zinc/79/37/35/672793735.db2.gz GPWIPVNYOKSMHS-GFCCVEGCSA-N 1 0 335.372 -1.698 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051420206 672793786 /nfs/dbraw/zinc/79/37/86/672793786.db2.gz GPWIPVNYOKSMHS-LBPRGKRZSA-N 1 0 335.372 -1.698 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051420512 672793506 /nfs/dbraw/zinc/79/35/06/672793506.db2.gz IINUZKBPYNZJEV-JTQLQIEISA-N 1 0 338.397 -1.150 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051420514 672793629 /nfs/dbraw/zinc/79/36/29/672793629.db2.gz IINUZKBPYNZJEV-SNVBAGLBSA-N 1 0 338.397 -1.150 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)ncn1 ZINC001051420838 672793542 /nfs/dbraw/zinc/79/35/42/672793542.db2.gz KHPYHTOVXFQGDH-CYBMUJFWSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)ncn1 ZINC001051420840 672793680 /nfs/dbraw/zinc/79/36/80/672793680.db2.gz KHPYHTOVXFQGDH-ZDUSSCGKSA-N 1 0 332.368 -1.211 20 0 EAADRO CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051420925 672793671 /nfs/dbraw/zinc/79/36/71/672793671.db2.gz LRIAQXVNQQXEFB-CYBMUJFWSA-N 1 0 334.384 -1.093 20 0 EAADRO CCn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051420927 672793718 /nfs/dbraw/zinc/79/37/18/672793718.db2.gz LRIAQXVNQQXEFB-ZDUSSCGKSA-N 1 0 334.384 -1.093 20 0 EAADRO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)cn1 ZINC001051421248 672793641 /nfs/dbraw/zinc/79/36/41/672793641.db2.gz NTNMAEJCDIKWCO-CYBMUJFWSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)cn1 ZINC001051421250 672793814 /nfs/dbraw/zinc/79/38/14/672793814.db2.gz NTNMAEJCDIKWCO-ZDUSSCGKSA-N 1 0 332.368 -1.211 20 0 EAADRO CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051421395 672793596 /nfs/dbraw/zinc/79/35/96/672793596.db2.gz QAXDTODDRQGIHA-GFCCVEGCSA-N 1 0 349.399 -1.390 20 0 EAADRO CCn1nnc(C)c1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051421396 672793792 /nfs/dbraw/zinc/79/37/92/672793792.db2.gz QAXDTODDRQGIHA-LBPRGKRZSA-N 1 0 349.399 -1.390 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051421542 672793587 /nfs/dbraw/zinc/79/35/87/672793587.db2.gz RKCHAWQYULGCGU-GFCCVEGCSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051421543 672793707 /nfs/dbraw/zinc/79/37/07/672793707.db2.gz RKCHAWQYULGCGU-LBPRGKRZSA-N 1 0 332.368 -1.211 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051421792 672793434 /nfs/dbraw/zinc/79/34/34/672793434.db2.gz SRPKCVBCRZKQIJ-AWEZNQCLSA-N 1 0 346.395 -1.167 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051421793 672793678 /nfs/dbraw/zinc/79/36/78/672793678.db2.gz SRPKCVBCRZKQIJ-CQSZACIVSA-N 1 0 346.395 -1.167 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051421862 672793567 /nfs/dbraw/zinc/79/35/67/672793567.db2.gz UZFPGQKLWPNVCR-GFCCVEGCSA-N 1 0 348.367 -1.511 20 0 EAADRO COc1nccc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051421863 672793646 /nfs/dbraw/zinc/79/36/46/672793646.db2.gz UZFPGQKLWPNVCR-LBPRGKRZSA-N 1 0 348.367 -1.511 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051422134 672793722 /nfs/dbraw/zinc/79/37/22/672793722.db2.gz VNXGAVZDHONCAU-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051422138 672793623 /nfs/dbraw/zinc/79/36/23/672793623.db2.gz VNXGAVZDHONCAU-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051422141 672793495 /nfs/dbraw/zinc/79/34/95/672793495.db2.gz VNXGAVZDHONCAU-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)C1=O ZINC001051422144 672793609 /nfs/dbraw/zinc/79/36/09/672793609.db2.gz VNXGAVZDHONCAU-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051422201 672794132 /nfs/dbraw/zinc/79/41/32/672794132.db2.gz XBVFHTBREDYVNZ-CYBMUJFWSA-N 1 0 334.384 -1.268 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051422202 672794332 /nfs/dbraw/zinc/79/43/32/672794332.db2.gz XBVFHTBREDYVNZ-ZDUSSCGKSA-N 1 0 334.384 -1.268 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051422361 672794104 /nfs/dbraw/zinc/79/41/04/672794104.db2.gz XUVLPPCHUIOLRI-NXEZZACHSA-N 1 0 337.340 -2.705 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051422363 672794039 /nfs/dbraw/zinc/79/40/39/672794039.db2.gz XUVLPPCHUIOLRI-UWVGGRQHSA-N 1 0 337.340 -2.705 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051422365 672794077 /nfs/dbraw/zinc/79/40/77/672794077.db2.gz XUVLPPCHUIOLRI-VHSXEESVSA-N 1 0 337.340 -2.705 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051422366 672794150 /nfs/dbraw/zinc/79/41/50/672794150.db2.gz XUVLPPCHUIOLRI-ZJUUUORDSA-N 1 0 337.340 -2.705 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051422418 672794372 /nfs/dbraw/zinc/79/43/72/672794372.db2.gz YELCRKHCEJDKIC-NEPJUHHUSA-N 1 0 347.383 -1.731 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 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Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001051464933 672798086 /nfs/dbraw/zinc/79/80/86/672798086.db2.gz FMZOOOVZCAOIHV-LBPRGKRZSA-N 1 0 330.410 -1.218 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)cn1 ZINC001051465196 672797910 /nfs/dbraw/zinc/79/79/10/672797910.db2.gz GLDYTTUEQYHTID-GFCCVEGCSA-N 1 0 330.410 -1.218 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)cn1 ZINC001051465202 672798219 /nfs/dbraw/zinc/79/82/19/672798219.db2.gz GLDYTTUEQYHTID-LBPRGKRZSA-N 1 0 330.410 -1.218 20 0 EAADRO Cc1cnn(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001051465215 672797996 /nfs/dbraw/zinc/79/79/96/672797996.db2.gz GPZBUIXWGPQVNP-CHWSQXEVSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1cnn(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c1 ZINC001051465216 672798021 /nfs/dbraw/zinc/79/80/21/672798021.db2.gz GPZBUIXWGPQVNP-OLZOCXBDSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1cnn(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001051465217 672798166 /nfs/dbraw/zinc/79/81/66/672798166.db2.gz GPZBUIXWGPQVNP-QWHCGFSZSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1cnn(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c1 ZINC001051465218 672798115 /nfs/dbraw/zinc/79/81/15/672798115.db2.gz GPZBUIXWGPQVNP-STQMWFEESA-N 1 0 349.391 -1.186 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001051465898 672797918 /nfs/dbraw/zinc/79/79/18/672797918.db2.gz LJLFBVNPZHOGGN-GFCCVEGCSA-N 1 0 345.425 -1.340 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001051465903 672798033 /nfs/dbraw/zinc/79/80/33/672798033.db2.gz LJLFBVNPZHOGGN-LBPRGKRZSA-N 1 0 345.425 -1.340 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001051466194 672798236 /nfs/dbraw/zinc/79/82/36/672798236.db2.gz OFEPSZNSDCDXTQ-LLVKDONJSA-N 1 0 331.398 -1.823 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001051466196 672798005 /nfs/dbraw/zinc/79/80/05/672798005.db2.gz OFEPSZNSDCDXTQ-NSHDSACASA-N 1 0 331.398 -1.823 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001051466367 672798027 /nfs/dbraw/zinc/79/80/27/672798027.db2.gz PYTYRXQEWNJWEF-GFCCVEGCSA-N 1 0 330.410 -1.218 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001051466368 672798171 /nfs/dbraw/zinc/79/81/71/672798171.db2.gz PYTYRXQEWNJWEF-LBPRGKRZSA-N 1 0 330.410 -1.218 20 0 EAADRO O=C(c1cnns1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051466904 672798107 /nfs/dbraw/zinc/79/81/07/672798107.db2.gz WVRXUHZJPSFSNL-BDAKNGLRSA-N 1 0 339.377 -1.226 20 0 EAADRO O=C(c1cnns1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051466905 672797975 /nfs/dbraw/zinc/79/79/75/672797975.db2.gz WVRXUHZJPSFSNL-DTWKUNHWSA-N 1 0 339.377 -1.226 20 0 EAADRO O=C(c1cnns1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051466906 672797983 /nfs/dbraw/zinc/79/79/83/672797983.db2.gz WVRXUHZJPSFSNL-IUCAKERBSA-N 1 0 339.377 -1.226 20 0 EAADRO O=C(c1cnns1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051466907 672798130 /nfs/dbraw/zinc/79/81/30/672798130.db2.gz WVRXUHZJPSFSNL-RKDXNWHRSA-N 1 0 339.377 -1.226 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)n1 ZINC001051471822 672799411 /nfs/dbraw/zinc/79/94/11/672799411.db2.gz PEPYUESVMXJWPV-NEPJUHHUSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)n1 ZINC001051471823 672799436 /nfs/dbraw/zinc/79/94/36/672799436.db2.gz PEPYUESVMXJWPV-NWDGAFQWSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)n1 ZINC001051471824 672799488 /nfs/dbraw/zinc/79/94/88/672799488.db2.gz PEPYUESVMXJWPV-RYUDHWBXSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)n1 ZINC001051471825 672799472 /nfs/dbraw/zinc/79/94/72/672799472.db2.gz PEPYUESVMXJWPV-VXGBXAGGSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]n1 ZINC001051471921 672799578 /nfs/dbraw/zinc/79/95/78/672799578.db2.gz RCGPZIZXNAUWTH-GHMZBOCLSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]n1 ZINC001051471922 672799507 /nfs/dbraw/zinc/79/95/07/672799507.db2.gz RCGPZIZXNAUWTH-MNOVXSKESA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)[nH]n1 ZINC001051471923 672799498 /nfs/dbraw/zinc/79/94/98/672799498.db2.gz RCGPZIZXNAUWTH-QWRGUYRKSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)[nH]n1 ZINC001051471924 672799585 /nfs/dbraw/zinc/79/95/85/672799585.db2.gz RCGPZIZXNAUWTH-WDEREUQCSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nn1C ZINC001051473373 672799609 /nfs/dbraw/zinc/79/96/09/672799609.db2.gz MBWAYLPFXKNZFW-NEPJUHHUSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1C ZINC001051473374 672799534 /nfs/dbraw/zinc/79/95/34/672799534.db2.gz MBWAYLPFXKNZFW-NWDGAFQWSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nn1C ZINC001051473375 672799444 /nfs/dbraw/zinc/79/94/44/672799444.db2.gz MBWAYLPFXKNZFW-RYUDHWBXSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1C ZINC001051473376 672799456 /nfs/dbraw/zinc/79/94/56/672799456.db2.gz MBWAYLPFXKNZFW-VXGBXAGGSA-N 1 0 349.391 -1.036 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477744 672800123 /nfs/dbraw/zinc/80/01/23/672800123.db2.gz FPMVUBISPYTTEX-NEPJUHHUSA-N 1 0 347.437 -1.531 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477745 672800144 /nfs/dbraw/zinc/80/01/44/672800144.db2.gz FPMVUBISPYTTEX-NWDGAFQWSA-N 1 0 347.437 -1.531 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477746 672799939 /nfs/dbraw/zinc/79/99/39/672799939.db2.gz FPMVUBISPYTTEX-RYUDHWBXSA-N 1 0 347.437 -1.531 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477747 672800171 /nfs/dbraw/zinc/80/01/71/672800171.db2.gz FPMVUBISPYTTEX-VXGBXAGGSA-N 1 0 347.437 -1.531 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477960 672800104 /nfs/dbraw/zinc/80/01/04/672800104.db2.gz NZXBDVHILKXXQN-GHMZBOCLSA-N 1 0 333.410 -1.921 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477961 672800032 /nfs/dbraw/zinc/80/00/32/672800032.db2.gz NZXBDVHILKXXQN-MNOVXSKESA-N 1 0 333.410 -1.921 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477962 672799964 /nfs/dbraw/zinc/79/99/64/672799964.db2.gz NZXBDVHILKXXQN-QWRGUYRKSA-N 1 0 333.410 -1.921 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051477963 672799982 /nfs/dbraw/zinc/79/99/82/672799982.db2.gz NZXBDVHILKXXQN-WDEREUQCSA-N 1 0 333.410 -1.921 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051478024 672800477 /nfs/dbraw/zinc/80/04/77/672800477.db2.gz PZYIYPMAFZJVNZ-NEPJUHHUSA-N 1 0 347.437 -1.531 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051478025 672800610 /nfs/dbraw/zinc/80/06/10/672800610.db2.gz PZYIYPMAFZJVNZ-NWDGAFQWSA-N 1 0 347.437 -1.531 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051478026 672800706 /nfs/dbraw/zinc/80/07/06/672800706.db2.gz PZYIYPMAFZJVNZ-RYUDHWBXSA-N 1 0 347.437 -1.531 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)C1=O ZINC001051478027 672800527 /nfs/dbraw/zinc/80/05/27/672800527.db2.gz PZYIYPMAFZJVNZ-VXGBXAGGSA-N 1 0 347.437 -1.531 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051478070 672800465 /nfs/dbraw/zinc/80/04/65/672800465.db2.gz RMSNRSQGWNIEDP-NXEZZACHSA-N 1 0 347.393 -2.347 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051478071 672800542 /nfs/dbraw/zinc/80/05/42/672800542.db2.gz RMSNRSQGWNIEDP-UWVGGRQHSA-N 1 0 347.393 -2.347 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051478072 672800509 /nfs/dbraw/zinc/80/05/09/672800509.db2.gz RMSNRSQGWNIEDP-VHSXEESVSA-N 1 0 347.393 -2.347 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051478073 672800533 /nfs/dbraw/zinc/80/05/33/672800533.db2.gz RMSNRSQGWNIEDP-ZJUUUORDSA-N 1 0 347.393 -2.347 20 0 EAADRO Cn1nccc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051485619 672800732 /nfs/dbraw/zinc/80/07/32/672800732.db2.gz UXXXEGIVZOJLJM-GHMZBOCLSA-N 1 0 335.364 -1.344 20 0 EAADRO Cn1nccc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051485620 672800548 /nfs/dbraw/zinc/80/05/48/672800548.db2.gz UXXXEGIVZOJLJM-MNOVXSKESA-N 1 0 335.364 -1.344 20 0 EAADRO Cn1nccc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051485621 672800623 /nfs/dbraw/zinc/80/06/23/672800623.db2.gz UXXXEGIVZOJLJM-QWRGUYRKSA-N 1 0 335.364 -1.344 20 0 EAADRO Cn1nccc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051485622 672801491 /nfs/dbraw/zinc/80/14/91/672801491.db2.gz UXXXEGIVZOJLJM-WDEREUQCSA-N 1 0 335.364 -1.344 20 0 EAADRO Cn1cc(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001051487906 672801478 /nfs/dbraw/zinc/80/14/78/672801478.db2.gz DVOMTHYLMYNJIE-CHWSQXEVSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1cc(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001051487907 672801091 /nfs/dbraw/zinc/80/10/91/672801091.db2.gz DVOMTHYLMYNJIE-OLZOCXBDSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1cc(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001051487908 672801438 /nfs/dbraw/zinc/80/14/38/672801438.db2.gz DVOMTHYLMYNJIE-QWHCGFSZSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1cc(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001051487909 672801353 /nfs/dbraw/zinc/80/13/53/672801353.db2.gz DVOMTHYLMYNJIE-STQMWFEESA-N 1 0 349.391 -1.415 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051489282 672800933 /nfs/dbraw/zinc/80/09/33/672800933.db2.gz AAUISMRYWALNNS-CHWSQXEVSA-N 1 0 336.396 -1.106 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051489283 672801343 /nfs/dbraw/zinc/80/13/43/672801343.db2.gz AAUISMRYWALNNS-QWHCGFSZSA-N 1 0 336.396 -1.106 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)cc1=O ZINC001051489740 672800954 /nfs/dbraw/zinc/80/09/54/672800954.db2.gz KGFXNEJTIVVUMT-UONOGXRCSA-N 1 0 348.403 -1.019 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)cc1=O ZINC001051489741 672801239 /nfs/dbraw/zinc/80/12/39/672801239.db2.gz KGFXNEJTIVVUMT-ZIAGYGMSSA-N 1 0 348.403 -1.019 20 0 EAADRO Cc1nc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001051493367 672801386 /nfs/dbraw/zinc/80/13/86/672801386.db2.gz JELUYXGWKGCOLC-GHMZBOCLSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1nc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001051493368 672801120 /nfs/dbraw/zinc/80/11/20/672801120.db2.gz JELUYXGWKGCOLC-MNOVXSKESA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1nc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001051493369 672801168 /nfs/dbraw/zinc/80/11/68/672801168.db2.gz JELUYXGWKGCOLC-QWRGUYRKSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1nc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001051493370 672801705 /nfs/dbraw/zinc/80/17/05/672801705.db2.gz JELUYXGWKGCOLC-WDEREUQCSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1nn(C)cc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051493673 672802111 /nfs/dbraw/zinc/80/21/11/672802111.db2.gz PLHSIDZOTHBAGN-AAEUAGOBSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1nn(C)cc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051493674 672801961 /nfs/dbraw/zinc/80/19/61/672801961.db2.gz PLHSIDZOTHBAGN-DGCLKSJQSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1nn(C)cc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051493675 672802175 /nfs/dbraw/zinc/80/21/75/672802175.db2.gz PLHSIDZOTHBAGN-WCQYABFASA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1nn(C)cc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051493676 672801780 /nfs/dbraw/zinc/80/17/80/672801780.db2.gz PLHSIDZOTHBAGN-YPMHNXCESA-N 1 0 349.391 -1.036 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051497069 672801903 /nfs/dbraw/zinc/80/19/03/672801903.db2.gz BRGHJBFLOHMAGY-NXEZZACHSA-N 1 0 348.363 -1.705 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051497074 672801877 /nfs/dbraw/zinc/80/18/77/672801877.db2.gz BRGHJBFLOHMAGY-UWVGGRQHSA-N 1 0 348.363 -1.705 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051497076 672802226 /nfs/dbraw/zinc/80/22/26/672802226.db2.gz BRGHJBFLOHMAGY-VHSXEESVSA-N 1 0 348.363 -1.705 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051497078 672802189 /nfs/dbraw/zinc/80/21/89/672802189.db2.gz BRGHJBFLOHMAGY-ZJUUUORDSA-N 1 0 348.363 -1.705 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3nccnc3N)CCO2)C1=O ZINC001051499350 672802064 /nfs/dbraw/zinc/80/20/64/672802064.db2.gz GVUYQQHOMYUXCR-GHMZBOCLSA-N 1 0 334.380 -1.280 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3nccnc3N)CCO2)C1=O ZINC001051499354 672801651 /nfs/dbraw/zinc/80/16/51/672801651.db2.gz GVUYQQHOMYUXCR-MNOVXSKESA-N 1 0 334.380 -1.280 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3nccnc3N)CCO2)C1=O ZINC001051499356 672802222 /nfs/dbraw/zinc/80/22/22/672802222.db2.gz GVUYQQHOMYUXCR-QWRGUYRKSA-N 1 0 334.380 -1.280 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3nccnc3N)CCO2)C1=O ZINC001051499358 672801798 /nfs/dbraw/zinc/80/17/98/672801798.db2.gz GVUYQQHOMYUXCR-WDEREUQCSA-N 1 0 334.380 -1.280 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2nccnc2N)CCO1 ZINC001051500074 672802045 /nfs/dbraw/zinc/80/20/45/672802045.db2.gz MVBXVJYXECQXFR-LLVKDONJSA-N 1 0 332.368 -1.182 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2nccnc2N)CCO1 ZINC001051500076 672802124 /nfs/dbraw/zinc/80/21/24/672802124.db2.gz MVBXVJYXECQXFR-NSHDSACASA-N 1 0 332.368 -1.182 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051500373 672801816 /nfs/dbraw/zinc/80/18/16/672801816.db2.gz SQPOPESDLQCLKQ-GHMZBOCLSA-N 1 0 334.380 -1.232 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051500374 672801924 /nfs/dbraw/zinc/80/19/24/672801924.db2.gz SQPOPESDLQCLKQ-MNOVXSKESA-N 1 0 334.380 -1.232 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051500375 672801826 /nfs/dbraw/zinc/80/18/26/672801826.db2.gz SQPOPESDLQCLKQ-QWRGUYRKSA-N 1 0 334.380 -1.232 20 0 EAADRO Nc1nccnc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051500376 672801851 /nfs/dbraw/zinc/80/18/51/672801851.db2.gz SQPOPESDLQCLKQ-WDEREUQCSA-N 1 0 334.380 -1.232 20 0 EAADRO O=C(Cc1ccon1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051502255 672802863 /nfs/dbraw/zinc/80/28/63/672802863.db2.gz PBEAWTZSAVOVDJ-NEPJUHHUSA-N 1 0 336.348 -1.161 20 0 EAADRO O=C(Cc1ccon1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051502259 672802514 /nfs/dbraw/zinc/80/25/14/672802514.db2.gz PBEAWTZSAVOVDJ-NWDGAFQWSA-N 1 0 336.348 -1.161 20 0 EAADRO O=C(Cc1ccon1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051502261 672802416 /nfs/dbraw/zinc/80/24/16/672802416.db2.gz PBEAWTZSAVOVDJ-RYUDHWBXSA-N 1 0 336.348 -1.161 20 0 EAADRO O=C(Cc1ccon1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051502262 672802691 /nfs/dbraw/zinc/80/26/91/672802691.db2.gz PBEAWTZSAVOVDJ-VXGBXAGGSA-N 1 0 336.348 -1.161 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001051502637 672802742 /nfs/dbraw/zinc/80/27/42/672802742.db2.gz TVYJNDRIULWVQX-CYBMUJFWSA-N 1 0 334.376 -1.022 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001051502638 672802576 /nfs/dbraw/zinc/80/25/76/672802576.db2.gz TVYJNDRIULWVQX-ZDUSSCGKSA-N 1 0 334.376 -1.022 20 0 EAADRO COc1coc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)cc1=O ZINC001051503329 672802376 /nfs/dbraw/zinc/80/23/76/672802376.db2.gz APIZQQDBTLPBRL-LLVKDONJSA-N 1 0 339.348 -1.159 20 0 EAADRO COc1coc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)cc1=O ZINC001051503330 672802851 /nfs/dbraw/zinc/80/28/51/672802851.db2.gz APIZQQDBTLPBRL-NSHDSACASA-N 1 0 339.348 -1.159 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001051503398 672802321 /nfs/dbraw/zinc/80/23/21/672802321.db2.gz BNOGIKGDEKJTJY-CYBMUJFWSA-N 1 0 334.376 -1.022 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001051503401 672802912 /nfs/dbraw/zinc/80/29/12/672802912.db2.gz BNOGIKGDEKJTJY-ZDUSSCGKSA-N 1 0 334.376 -1.022 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051503411 672802838 /nfs/dbraw/zinc/80/28/38/672802838.db2.gz BQEUYEAYTQQBTK-NEPJUHHUSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051503415 672802648 /nfs/dbraw/zinc/80/26/48/672802648.db2.gz BQEUYEAYTQQBTK-NWDGAFQWSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051503419 672802811 /nfs/dbraw/zinc/80/28/11/672802811.db2.gz BQEUYEAYTQQBTK-RYUDHWBXSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051503420 672802275 /nfs/dbraw/zinc/80/22/75/672802275.db2.gz BQEUYEAYTQQBTK-VXGBXAGGSA-N 1 0 326.397 -1.312 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001051505146 672802683 /nfs/dbraw/zinc/80/26/83/672802683.db2.gz MWIMMXGRDHBYKU-NEPJUHHUSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001051505147 672802876 /nfs/dbraw/zinc/80/28/76/672802876.db2.gz MWIMMXGRDHBYKU-NWDGAFQWSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001051505148 672802507 /nfs/dbraw/zinc/80/25/07/672802507.db2.gz MWIMMXGRDHBYKU-RYUDHWBXSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001051505149 672802455 /nfs/dbraw/zinc/80/24/55/672802455.db2.gz MWIMMXGRDHBYKU-VXGBXAGGSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001051505573 672802805 /nfs/dbraw/zinc/80/28/05/672802805.db2.gz QFXPOFRMVWNYRA-NEPJUHHUSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001051505574 672802737 /nfs/dbraw/zinc/80/27/37/672802737.db2.gz QFXPOFRMVWNYRA-NWDGAFQWSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001051505575 672802301 /nfs/dbraw/zinc/80/23/01/672802301.db2.gz QFXPOFRMVWNYRA-RYUDHWBXSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001051505576 672802748 /nfs/dbraw/zinc/80/27/48/672802748.db2.gz QFXPOFRMVWNYRA-VXGBXAGGSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001051505688 672802441 /nfs/dbraw/zinc/80/24/41/672802441.db2.gz QTXBWLJYQSULJF-CHWSQXEVSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001051505689 672802388 /nfs/dbraw/zinc/80/23/88/672802388.db2.gz QTXBWLJYQSULJF-OLZOCXBDSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001051505690 672802781 /nfs/dbraw/zinc/80/27/81/672802781.db2.gz QTXBWLJYQSULJF-QWHCGFSZSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001051505691 672802929 /nfs/dbraw/zinc/80/29/29/672802929.db2.gz QTXBWLJYQSULJF-STQMWFEESA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001051505730 672802408 /nfs/dbraw/zinc/80/24/08/672802408.db2.gz RPNLGMSASPYNIK-GHMZBOCLSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001051505731 672802701 /nfs/dbraw/zinc/80/27/01/672802701.db2.gz RPNLGMSASPYNIK-MNOVXSKESA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001051505732 672803052 /nfs/dbraw/zinc/80/30/52/672803052.db2.gz RPNLGMSASPYNIK-QWRGUYRKSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001051505733 672803448 /nfs/dbraw/zinc/80/34/48/672803448.db2.gz RPNLGMSASPYNIK-WDEREUQCSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001051505805 672803164 /nfs/dbraw/zinc/80/31/64/672803164.db2.gz SNJYKHNSWBNPNV-GFCCVEGCSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001051505806 672803512 /nfs/dbraw/zinc/80/35/12/672803512.db2.gz SNJYKHNSWBNPNV-LBPRGKRZSA-N 1 0 347.437 -1.496 20 0 EAADRO COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)c(C)n1 ZINC001051506126 672803500 /nfs/dbraw/zinc/80/35/00/672803500.db2.gz XIOPNOYYWCSEDA-GFCCVEGCSA-N 1 0 337.380 -1.014 20 0 EAADRO COc1ncc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)c(C)n1 ZINC001051506127 672803197 /nfs/dbraw/zinc/80/31/97/672803197.db2.gz XIOPNOYYWCSEDA-LBPRGKRZSA-N 1 0 337.380 -1.014 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051510889 672803382 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OPJXSDFXQBEQHK-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3ncn(C)n3)CCO2)C1=O ZINC001051589562 672810520 /nfs/dbraw/zinc/81/05/20/672810520.db2.gz OPJXSDFXQBEQHK-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3ncn(C)n3)CCO2)C1=O ZINC001051589563 672810678 /nfs/dbraw/zinc/81/06/78/672810678.db2.gz OPJXSDFXQBEQHK-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ncn(C)n3)CCO2)C1=O ZINC001051589564 672810539 /nfs/dbraw/zinc/81/05/39/672810539.db2.gz OPJXSDFXQBEQHK-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001051594827 672811489 /nfs/dbraw/zinc/81/14/89/672811489.db2.gz OYXIYRIIQPGDFT-NXEZZACHSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001051594828 672811043 /nfs/dbraw/zinc/81/10/43/672811043.db2.gz OYXIYRIIQPGDFT-UWVGGRQHSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001051594829 672811217 /nfs/dbraw/zinc/81/12/17/672811217.db2.gz OYXIYRIIQPGDFT-VHSXEESVSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001051594830 672811168 /nfs/dbraw/zinc/81/11/68/672811168.db2.gz OYXIYRIIQPGDFT-ZJUUUORDSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)nn1 ZINC001051595288 672811483 /nfs/dbraw/zinc/81/14/83/672811483.db2.gz TZUMSFCCKMCVDI-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001051595289 672811268 /nfs/dbraw/zinc/81/12/68/672811268.db2.gz TZUMSFCCKMCVDI-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)nn1 ZINC001051595290 672811068 /nfs/dbraw/zinc/81/10/68/672811068.db2.gz TZUMSFCCKMCVDI-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001051595291 672811089 /nfs/dbraw/zinc/81/10/89/672811089.db2.gz TZUMSFCCKMCVDI-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)o1 ZINC001051595719 672811101 /nfs/dbraw/zinc/81/11/01/672811101.db2.gz ZBJPCEYNVJIYOT-NEPJUHHUSA-N 1 0 337.380 -1.032 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)o1 ZINC001051595720 672811467 /nfs/dbraw/zinc/81/14/67/672811467.db2.gz ZBJPCEYNVJIYOT-NWDGAFQWSA-N 1 0 337.380 -1.032 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)o1 ZINC001051595721 672811332 /nfs/dbraw/zinc/81/13/32/672811332.db2.gz ZBJPCEYNVJIYOT-RYUDHWBXSA-N 1 0 337.380 -1.032 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)o1 ZINC001051595722 672811408 /nfs/dbraw/zinc/81/14/08/672811408.db2.gz ZBJPCEYNVJIYOT-VXGBXAGGSA-N 1 0 337.380 -1.032 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cn(C)nn3)CCO2)C1=O ZINC001051595739 672811502 /nfs/dbraw/zinc/81/15/02/672811502.db2.gz ZNXVQVQWDXYDCK-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3cn(C)nn3)CCO2)C1=O ZINC001051595740 672811253 /nfs/dbraw/zinc/81/12/53/672811253.db2.gz ZNXVQVQWDXYDCK-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3cn(C)nn3)CCO2)C1=O ZINC001051595741 672811208 /nfs/dbraw/zinc/81/12/08/672811208.db2.gz ZNXVQVQWDXYDCK-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cn(C)nn3)CCO2)C1=O ZINC001051595742 672811418 /nfs/dbraw/zinc/81/14/18/672811418.db2.gz ZNXVQVQWDXYDCK-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO CCn1nncc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001051596063 672811350 /nfs/dbraw/zinc/81/13/50/672811350.db2.gz JSKGKLNTLKWFGO-NEPJUHHUSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1nncc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001051596064 672811149 /nfs/dbraw/zinc/81/11/49/672811149.db2.gz JSKGKLNTLKWFGO-NWDGAFQWSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1nncc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001051596065 672811242 /nfs/dbraw/zinc/81/12/42/672811242.db2.gz JSKGKLNTLKWFGO-RYUDHWBXSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1nncc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001051596066 672811157 /nfs/dbraw/zinc/81/11/57/672811157.db2.gz JSKGKLNTLKWFGO-VXGBXAGGSA-N 1 0 336.396 -1.041 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051596317 672811360 /nfs/dbraw/zinc/81/13/60/672811360.db2.gz PWGBJNZPUFUBRI-NXEZZACHSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051596318 672811396 /nfs/dbraw/zinc/81/13/96/672811396.db2.gz PWGBJNZPUFUBRI-UWVGGRQHSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051596319 672811027 /nfs/dbraw/zinc/81/10/27/672811027.db2.gz PWGBJNZPUFUBRI-VHSXEESVSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051596320 672811035 /nfs/dbraw/zinc/81/10/35/672811035.db2.gz PWGBJNZPUFUBRI-ZJUUUORDSA-N 1 0 336.352 -1.949 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)n1 ZINC001051596481 672811854 /nfs/dbraw/zinc/81/18/54/672811854.db2.gz UBEHKNFTWFKYDU-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)n1 ZINC001051596482 672811743 /nfs/dbraw/zinc/81/17/43/672811743.db2.gz UBEHKNFTWFKYDU-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)n1 ZINC001051596483 672811783 /nfs/dbraw/zinc/81/17/83/672811783.db2.gz UBEHKNFTWFKYDU-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)n1 ZINC001051596484 672812070 /nfs/dbraw/zinc/81/20/70/672812070.db2.gz UBEHKNFTWFKYDU-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO CCn1ncc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001051599744 672811818 /nfs/dbraw/zinc/81/18/18/672811818.db2.gz OFGMTVWSWMXBHG-NEPJUHHUSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1ncc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001051599745 672811966 /nfs/dbraw/zinc/81/19/66/672811966.db2.gz OFGMTVWSWMXBHG-NWDGAFQWSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1ncc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001051599746 672812061 /nfs/dbraw/zinc/81/20/61/672812061.db2.gz OFGMTVWSWMXBHG-RYUDHWBXSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1ncc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001051599747 672811690 /nfs/dbraw/zinc/81/16/90/672811690.db2.gz OFGMTVWSWMXBHG-VXGBXAGGSA-N 1 0 336.396 -1.041 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)[nH]1 ZINC001051602647 672811893 /nfs/dbraw/zinc/81/18/93/672811893.db2.gz HWMDTAOJGLGKRK-GFCCVEGCSA-N 1 0 334.384 -1.199 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)[nH]1 ZINC001051602648 672811802 /nfs/dbraw/zinc/81/18/02/672811802.db2.gz HWMDTAOJGLGKRK-LBPRGKRZSA-N 1 0 334.384 -1.199 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)[nH]1 ZINC001051603473 672812052 /nfs/dbraw/zinc/81/20/52/672812052.db2.gz 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Cc1c[nH]nc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051606620 672811841 /nfs/dbraw/zinc/81/18/41/672811841.db2.gz PBCOMCJYYSBIJP-QWRGUYRKSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1c[nH]nc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051606624 672811729 /nfs/dbraw/zinc/81/17/29/672811729.db2.gz PBCOMCJYYSBIJP-WDEREUQCSA-N 1 0 335.364 -1.046 20 0 EAADRO O=C(CC1(O)CCC1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051608424 672811912 /nfs/dbraw/zinc/81/19/12/672811912.db2.gz CFTQPGJRTWESNR-NEPJUHHUSA-N 1 0 339.392 -1.086 20 0 EAADRO O=C(CC1(O)CCC1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051608426 672812012 /nfs/dbraw/zinc/81/20/12/672812012.db2.gz CFTQPGJRTWESNR-NWDGAFQWSA-N 1 0 339.392 -1.086 20 0 EAADRO O=C(CC1(O)CCC1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051608429 672812396 /nfs/dbraw/zinc/81/23/96/672812396.db2.gz CFTQPGJRTWESNR-RYUDHWBXSA-N 1 0 339.392 -1.086 20 0 EAADRO O=C(CC1(O)CCC1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051608433 672812410 /nfs/dbraw/zinc/81/24/10/672812410.db2.gz CFTQPGJRTWESNR-VXGBXAGGSA-N 1 0 339.392 -1.086 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)[nH]1 ZINC001051612075 672812352 /nfs/dbraw/zinc/81/23/52/672812352.db2.gz POEFTROZEMFBHJ-NEPJUHHUSA-N 1 0 336.396 -1.297 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)[nH]1 ZINC001051612076 672812552 /nfs/dbraw/zinc/81/25/52/672812552.db2.gz POEFTROZEMFBHJ-NWDGAFQWSA-N 1 0 336.396 -1.297 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)[nH]1 ZINC001051612078 672812607 /nfs/dbraw/zinc/81/26/07/672812607.db2.gz POEFTROZEMFBHJ-RYUDHWBXSA-N 1 0 336.396 -1.297 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)[nH]1 ZINC001051612080 672812323 /nfs/dbraw/zinc/81/23/23/672812323.db2.gz POEFTROZEMFBHJ-VXGBXAGGSA-N 1 0 336.396 -1.297 20 0 EAADRO Cc1cn(C)nc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051612575 672812529 /nfs/dbraw/zinc/81/25/29/672812529.db2.gz RWSVMFMSMYWZBY-NEPJUHHUSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cn(C)nc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051612577 672812336 /nfs/dbraw/zinc/81/23/36/672812336.db2.gz RWSVMFMSMYWZBY-NWDGAFQWSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cn(C)nc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051612580 672812560 /nfs/dbraw/zinc/81/25/60/672812560.db2.gz RWSVMFMSMYWZBY-RYUDHWBXSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cn(C)nc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051612582 672812358 /nfs/dbraw/zinc/81/23/58/672812358.db2.gz RWSVMFMSMYWZBY-VXGBXAGGSA-N 1 0 349.391 -1.036 20 0 EAADRO Cn1ccc(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051613600 672812386 /nfs/dbraw/zinc/81/23/86/672812386.db2.gz DQRONCWXIOXIIZ-CHWSQXEVSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1ccc(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051613603 672812279 /nfs/dbraw/zinc/81/22/79/672812279.db2.gz DQRONCWXIOXIIZ-OLZOCXBDSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1ccc(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051613606 672812283 /nfs/dbraw/zinc/81/22/83/672812283.db2.gz DQRONCWXIOXIIZ-QWHCGFSZSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1ccc(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051613609 672812380 /nfs/dbraw/zinc/81/23/80/672812380.db2.gz DQRONCWXIOXIIZ-STQMWFEESA-N 1 0 349.391 -1.415 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051614718 672812908 /nfs/dbraw/zinc/81/29/08/672812908.db2.gz MHSOKVYEESOPFL-GFCCVEGCSA-N 1 0 335.372 -1.698 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051614722 672812827 /nfs/dbraw/zinc/81/28/27/672812827.db2.gz MHSOKVYEESOPFL-LBPRGKRZSA-N 1 0 335.372 -1.698 20 0 EAADRO Cc1cccn(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001051614839 672813048 /nfs/dbraw/zinc/81/30/48/672813048.db2.gz NMIPXSOCDHIXGU-KBPBESRZSA-N 1 0 348.403 -1.138 20 0 EAADRO Cc1cccn(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001051614842 672812896 /nfs/dbraw/zinc/81/28/96/672812896.db2.gz NMIPXSOCDHIXGU-KGLIPLIRSA-N 1 0 348.403 -1.138 20 0 EAADRO Cc1cccn(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001051614845 672813084 /nfs/dbraw/zinc/81/30/84/672813084.db2.gz NMIPXSOCDHIXGU-UONOGXRCSA-N 1 0 348.403 -1.138 20 0 EAADRO Cc1cccn(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001051614848 672812749 /nfs/dbraw/zinc/81/27/49/672812749.db2.gz NMIPXSOCDHIXGU-ZIAGYGMSSA-N 1 0 348.403 -1.138 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)cc1=O ZINC001051615219 672812761 /nfs/dbraw/zinc/81/27/61/672812761.db2.gz PWLOHXFTCXCIML-CYBMUJFWSA-N 1 0 347.379 -1.611 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)cc1=O ZINC001051615220 672813057 /nfs/dbraw/zinc/81/30/57/672813057.db2.gz PWLOHXFTCXCIML-ZDUSSCGKSA-N 1 0 347.379 -1.611 20 0 EAADRO CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615237 672812970 /nfs/dbraw/zinc/81/29/70/672812970.db2.gz QEZHUFQCVKBMBU-GFCCVEGCSA-N 1 0 334.384 -1.093 20 0 EAADRO CCn1ccnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615238 672812873 /nfs/dbraw/zinc/81/28/73/672812873.db2.gz QEZHUFQCVKBMBU-LBPRGKRZSA-N 1 0 334.384 -1.093 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CO[C@H]2CCOC2)CCO1 ZINC001051615245 672813089 /nfs/dbraw/zinc/81/30/89/672813089.db2.gz QIGUOCZEVPTJFT-KBPBESRZSA-N 1 0 339.396 -1.062 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CO[C@@H]2CCOC2)CCO1 ZINC001051615246 672813072 /nfs/dbraw/zinc/81/30/72/672813072.db2.gz QIGUOCZEVPTJFT-KGLIPLIRSA-N 1 0 339.396 -1.062 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)CCO1 ZINC001051615247 672812837 /nfs/dbraw/zinc/81/28/37/672812837.db2.gz QIGUOCZEVPTJFT-UONOGXRCSA-N 1 0 339.396 -1.062 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)CCO1 ZINC001051615248 672812868 /nfs/dbraw/zinc/81/28/68/672812868.db2.gz QIGUOCZEVPTJFT-ZIAGYGMSSA-N 1 0 339.396 -1.062 20 0 EAADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)nn1 ZINC001051615259 672812918 /nfs/dbraw/zinc/81/29/18/672812918.db2.gz QRSLOGYDQOOCGC-GFCCVEGCSA-N 1 0 348.367 -1.511 20 0 EAADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)nn1 ZINC001051615260 672812849 /nfs/dbraw/zinc/81/28/49/672812849.db2.gz QRSLOGYDQOOCGC-LBPRGKRZSA-N 1 0 348.367 -1.511 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051615285 672812741 /nfs/dbraw/zinc/81/27/41/672812741.db2.gz RIEBXHXCSSOFBD-GFCCVEGCSA-N 1 0 348.367 -1.511 20 0 EAADRO COc1nccc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051615286 672812811 /nfs/dbraw/zinc/81/28/11/672812811.db2.gz RIEBXHXCSSOFBD-LBPRGKRZSA-N 1 0 348.367 -1.511 20 0 EAADRO CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615297 672813039 /nfs/dbraw/zinc/81/30/39/672813039.db2.gz RNCHOWRGHYIMDQ-GFCCVEGCSA-N 1 0 349.399 -1.390 20 0 EAADRO CCn1nnc(C)c1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615298 672813064 /nfs/dbraw/zinc/81/30/64/672813064.db2.gz RNCHOWRGHYIMDQ-LBPRGKRZSA-N 1 0 349.399 -1.390 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615339 672813599 /nfs/dbraw/zinc/81/35/99/672813599.db2.gz SIPHSYPUHKUZNR-CYBMUJFWSA-N 1 0 334.384 -1.268 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615340 672813352 /nfs/dbraw/zinc/81/33/52/672813352.db2.gz SIPHSYPUHKUZNR-ZDUSSCGKSA-N 1 0 334.384 -1.268 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051615451 672813307 /nfs/dbraw/zinc/81/33/07/672813307.db2.gz VHURQSGFMYERMJ-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051615452 672813382 /nfs/dbraw/zinc/81/33/82/672813382.db2.gz VHURQSGFMYERMJ-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051615453 672813408 /nfs/dbraw/zinc/81/34/08/672813408.db2.gz VHURQSGFMYERMJ-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051615454 672813339 /nfs/dbraw/zinc/81/33/39/672813339.db2.gz VHURQSGFMYERMJ-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051615590 672813462 /nfs/dbraw/zinc/81/34/62/672813462.db2.gz WUSZDIIHLFTSIR-NXEZZACHSA-N 1 0 337.340 -2.705 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051615591 672813556 /nfs/dbraw/zinc/81/35/56/672813556.db2.gz WUSZDIIHLFTSIR-UWVGGRQHSA-N 1 0 337.340 -2.705 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051615592 672813476 /nfs/dbraw/zinc/81/34/76/672813476.db2.gz WUSZDIIHLFTSIR-VHSXEESVSA-N 1 0 337.340 -2.705 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051615593 672813317 /nfs/dbraw/zinc/81/33/17/672813317.db2.gz WUSZDIIHLFTSIR-ZJUUUORDSA-N 1 0 337.340 -2.705 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)nn1C ZINC001051615742 672813531 /nfs/dbraw/zinc/81/35/31/672813531.db2.gz ZVURAHJORCFADI-CYBMUJFWSA-N 1 0 334.384 -1.268 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)nn1C ZINC001051615743 672813287 /nfs/dbraw/zinc/81/32/87/672813287.db2.gz ZVURAHJORCFADI-ZDUSSCGKSA-N 1 0 334.384 -1.268 20 0 EAADRO CN(C)c1cnc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001051615746 672813594 /nfs/dbraw/zinc/81/35/94/672813594.db2.gz AARSLNKJDXEPIA-NEPJUHHUSA-N 1 0 348.407 -1.138 20 0 EAADRO CN(C)c1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001051615747 672813445 /nfs/dbraw/zinc/81/34/45/672813445.db2.gz AARSLNKJDXEPIA-NWDGAFQWSA-N 1 0 348.407 -1.138 20 0 EAADRO CN(C)c1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001051615748 672813592 /nfs/dbraw/zinc/81/35/92/672813592.db2.gz AARSLNKJDXEPIA-RYUDHWBXSA-N 1 0 348.407 -1.138 20 0 EAADRO CN(C)c1cnc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001051615749 672813294 /nfs/dbraw/zinc/81/32/94/672813294.db2.gz AARSLNKJDXEPIA-VXGBXAGGSA-N 1 0 348.407 -1.138 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051616333 672813552 /nfs/dbraw/zinc/81/35/52/672813552.db2.gz JCAMKIMTWBPQJI-GFCCVEGCSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051616334 672813273 /nfs/dbraw/zinc/81/32/73/672813273.db2.gz JCAMKIMTWBPQJI-LBPRGKRZSA-N 1 0 332.368 -1.211 20 0 EAADRO CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051616348 672813254 /nfs/dbraw/zinc/81/32/54/672813254.db2.gz JGFUCDYHEVDDKZ-CYBMUJFWSA-N 1 0 334.384 -1.093 20 0 EAADRO CCn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051616350 672813567 /nfs/dbraw/zinc/81/35/67/672813567.db2.gz JGFUCDYHEVDDKZ-ZDUSSCGKSA-N 1 0 334.384 -1.093 20 0 EAADRO COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051616579 672813478 /nfs/dbraw/zinc/81/34/78/672813478.db2.gz JUSXRZGLFRRLPZ-GFCCVEGCSA-N 1 0 348.367 -1.511 20 0 EAADRO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051616581 672813588 /nfs/dbraw/zinc/81/35/88/672813588.db2.gz JUSXRZGLFRRLPZ-LBPRGKRZSA-N 1 0 348.367 -1.511 20 0 EAADRO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)cn1 ZINC001051616583 672813519 /nfs/dbraw/zinc/81/35/19/672813519.db2.gz JVVIIMLFPWPTQV-CYBMUJFWSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)cn1 ZINC001051616585 672813544 /nfs/dbraw/zinc/81/35/44/672813544.db2.gz JVVIIMLFPWPTQV-ZDUSSCGKSA-N 1 0 332.368 -1.211 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CCO2)n1 ZINC001051616843 672813524 /nfs/dbraw/zinc/81/35/24/672813524.db2.gz MXZGZHQODABTLP-KBPBESRZSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CCO2)n1 ZINC001051616844 672813499 /nfs/dbraw/zinc/81/34/99/672813499.db2.gz MXZGZHQODABTLP-KGLIPLIRSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CCO2)n1 ZINC001051616845 672813265 /nfs/dbraw/zinc/81/32/65/672813265.db2.gz MXZGZHQODABTLP-UONOGXRCSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CCO2)n1 ZINC001051616846 672813565 /nfs/dbraw/zinc/81/35/65/672813565.db2.gz MXZGZHQODABTLP-ZIAGYGMSSA-N 1 0 349.439 -1.131 20 0 EAADRO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)cn1 ZINC001051617001 672814111 /nfs/dbraw/zinc/81/41/11/672814111.db2.gz OFBYKVGJFXCVRO-CYBMUJFWSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)cn1 ZINC001051617002 672813985 /nfs/dbraw/zinc/81/39/85/672813985.db2.gz OFBYKVGJFXCVRO-ZDUSSCGKSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)ncn1 ZINC001051617312 672813828 /nfs/dbraw/zinc/81/38/28/672813828.db2.gz QLAPEYISYSQSNE-CYBMUJFWSA-N 1 0 332.368 -1.211 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)ncn1 ZINC001051617314 672813751 /nfs/dbraw/zinc/81/37/51/672813751.db2.gz QLAPEYISYSQSNE-ZDUSSCGKSA-N 1 0 332.368 -1.211 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051617461 672813991 /nfs/dbraw/zinc/81/39/91/672813991.db2.gz RPOSLWKLCZDOMV-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051617462 672814061 /nfs/dbraw/zinc/81/40/61/672814061.db2.gz RPOSLWKLCZDOMV-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051617463 672814078 /nfs/dbraw/zinc/81/40/78/672814078.db2.gz RPOSLWKLCZDOMV-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)C1=O ZINC001051617464 672814022 /nfs/dbraw/zinc/81/40/22/672814022.db2.gz RPOSLWKLCZDOMV-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617543 672813870 /nfs/dbraw/zinc/81/38/70/672813870.db2.gz SZLFJBRULNKVAW-KBPBESRZSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617545 672814072 /nfs/dbraw/zinc/81/40/72/672814072.db2.gz SZLFJBRULNKVAW-KGLIPLIRSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617547 672813780 /nfs/dbraw/zinc/81/37/80/672813780.db2.gz SZLFJBRULNKVAW-UONOGXRCSA-N 1 0 349.439 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617548 672814082 /nfs/dbraw/zinc/81/40/82/672814082.db2.gz SZLFJBRULNKVAW-ZIAGYGMSSA-N 1 0 349.439 -1.131 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051618164 672813918 /nfs/dbraw/zinc/81/39/18/672813918.db2.gz WODFGYAYGUIQBG-JTQLQIEISA-N 1 0 338.397 -1.150 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051618165 672813849 /nfs/dbraw/zinc/81/38/49/672813849.db2.gz WODFGYAYGUIQBG-SNVBAGLBSA-N 1 0 338.397 -1.150 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051618181 672813806 /nfs/dbraw/zinc/81/38/06/672813806.db2.gz WQTFMPPFKZAQSH-NEPJUHHUSA-N 1 0 347.383 -1.731 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051618183 672813937 /nfs/dbraw/zinc/81/39/37/672813937.db2.gz WQTFMPPFKZAQSH-NWDGAFQWSA-N 1 0 347.383 -1.731 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051618185 672813762 /nfs/dbraw/zinc/81/37/62/672813762.db2.gz WQTFMPPFKZAQSH-RYUDHWBXSA-N 1 0 347.383 -1.731 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051618187 672814034 /nfs/dbraw/zinc/81/40/34/672814034.db2.gz WQTFMPPFKZAQSH-VXGBXAGGSA-N 1 0 347.383 -1.731 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051618211 672813943 /nfs/dbraw/zinc/81/39/43/672813943.db2.gz XGCDETRJYOZABC-AWEZNQCLSA-N 1 0 346.395 -1.167 20 0 EAADRO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051618212 672814005 /nfs/dbraw/zinc/81/40/05/672814005.db2.gz XGCDETRJYOZABC-CQSZACIVSA-N 1 0 346.395 -1.167 20 0 EAADRO COc1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)ncn1 ZINC001051619803 672813973 /nfs/dbraw/zinc/81/39/73/672813973.db2.gz MNCWYBSIGWDORA-GHMZBOCLSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)ncn1 ZINC001051619804 672814046 /nfs/dbraw/zinc/81/40/46/672814046.db2.gz MNCWYBSIGWDORA-MNOVXSKESA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)ncn1 ZINC001051619805 672814524 /nfs/dbraw/zinc/81/45/24/672814524.db2.gz MNCWYBSIGWDORA-QWRGUYRKSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)ncn1 ZINC001051619806 672814580 /nfs/dbraw/zinc/81/45/80/672814580.db2.gz MNCWYBSIGWDORA-WDEREUQCSA-N 1 0 335.364 -1.196 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3nnnn3C)C2)CC[N@@H+]1C ZINC001051622721 672814622 /nfs/dbraw/zinc/81/46/22/672814622.db2.gz WZCNULIEEZNGAR-FRRDWIJNSA-N 1 0 337.428 -1.133 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3nnnn3C)C2)CC[N@@H+]1C ZINC001051622722 672814471 /nfs/dbraw/zinc/81/44/71/672814471.db2.gz WZCNULIEEZNGAR-JHJVBQTASA-N 1 0 337.428 -1.133 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCO[C@H](C[NH2+]CC3CCC3)C2)n1 ZINC001051622992 672814501 /nfs/dbraw/zinc/81/45/01/672814501.db2.gz BHIMXPBFOTVQQG-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCO[C@@H](C[NH2+]CC3CCC3)C2)n1 ZINC001051622997 672814266 /nfs/dbraw/zinc/81/42/66/672814266.db2.gz BHIMXPBFOTVQQG-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001051623669 672814588 /nfs/dbraw/zinc/81/45/88/672814588.db2.gz JFWLLSUQHJQAST-FRRDWIJNSA-N 1 0 337.428 -1.133 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001051623670 672814324 /nfs/dbraw/zinc/81/43/24/672814324.db2.gz JFWLLSUQHJQAST-JHJVBQTASA-N 1 0 337.428 -1.133 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001051634123 672815674 /nfs/dbraw/zinc/81/56/74/672815674.db2.gz AIKKGCDWHRVFAW-CYBMUJFWSA-N 1 0 342.421 -1.218 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001051634124 672815789 /nfs/dbraw/zinc/81/57/89/672815789.db2.gz AIKKGCDWHRVFAW-ZDUSSCGKSA-N 1 0 342.421 -1.218 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001051634205 672816189 /nfs/dbraw/zinc/81/61/89/672816189.db2.gz CXIZDXWLZBXZRH-CYBMUJFWSA-N 1 0 342.421 -1.218 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001051634206 672816077 /nfs/dbraw/zinc/81/60/77/672816077.db2.gz CXIZDXWLZBXZRH-ZDUSSCGKSA-N 1 0 342.421 -1.218 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CCO2)cn1 ZINC001051634263 672815904 /nfs/dbraw/zinc/81/59/04/672815904.db2.gz FDHJRFJLEGWXIW-CYBMUJFWSA-N 1 0 342.421 -1.218 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)CCO2)cn1 ZINC001051634264 672816021 /nfs/dbraw/zinc/81/60/21/672816021.db2.gz FDHJRFJLEGWXIW-ZDUSSCGKSA-N 1 0 342.421 -1.218 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001051634331 672816184 /nfs/dbraw/zinc/81/61/84/672816184.db2.gz GJUBKJRSFJVUSI-AAEUAGOBSA-N 1 0 332.422 -1.116 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001051634332 672816112 /nfs/dbraw/zinc/81/61/12/672816112.db2.gz GJUBKJRSFJVUSI-DGCLKSJQSA-N 1 0 332.422 -1.116 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001051634333 672816166 /nfs/dbraw/zinc/81/61/66/672816166.db2.gz GJUBKJRSFJVUSI-WCQYABFASA-N 1 0 332.422 -1.116 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001051634334 672816156 /nfs/dbraw/zinc/81/61/56/672816156.db2.gz GJUBKJRSFJVUSI-YPMHNXCESA-N 1 0 332.422 -1.116 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CCO2)C1=O ZINC001051634758 672816171 /nfs/dbraw/zinc/81/61/71/672816171.db2.gz PTAWITMLFWTNPJ-NEPJUHHUSA-N 1 0 345.421 -1.921 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)CCO2)C1=O ZINC001051634759 672816053 /nfs/dbraw/zinc/81/60/53/672816053.db2.gz PTAWITMLFWTNPJ-NWDGAFQWSA-N 1 0 345.421 -1.921 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)CCO2)C1=O ZINC001051634760 672816210 /nfs/dbraw/zinc/81/62/10/672816210.db2.gz PTAWITMLFWTNPJ-RYUDHWBXSA-N 1 0 345.421 -1.921 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CCO2)C1=O ZINC001051634761 672816116 /nfs/dbraw/zinc/81/61/16/672816116.db2.gz PTAWITMLFWTNPJ-VXGBXAGGSA-N 1 0 345.421 -1.921 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051636968 672816644 /nfs/dbraw/zinc/81/66/44/672816644.db2.gz JFFCIKQKXPCZFS-NEPJUHHUSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051636971 672816355 /nfs/dbraw/zinc/81/63/55/672816355.db2.gz JFFCIKQKXPCZFS-NWDGAFQWSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051636975 672816679 /nfs/dbraw/zinc/81/66/79/672816679.db2.gz JFFCIKQKXPCZFS-RYUDHWBXSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051636978 672816692 /nfs/dbraw/zinc/81/66/92/672816692.db2.gz JFFCIKQKXPCZFS-VXGBXAGGSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(c1cccn2nnnc12)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051638274 672816446 /nfs/dbraw/zinc/81/64/46/672816446.db2.gz RCMXYQPKWKWSTN-CMPLNLGQSA-N 1 0 345.363 -1.557 20 0 EAADRO O=C(c1cccn2nnnc12)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051638275 672816664 /nfs/dbraw/zinc/81/66/64/672816664.db2.gz RCMXYQPKWKWSTN-JQWIXIFHSA-N 1 0 345.363 -1.557 20 0 EAADRO O=C(c1cccn2nnnc12)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051638276 672816722 /nfs/dbraw/zinc/81/67/22/672816722.db2.gz RCMXYQPKWKWSTN-PWSUYJOCSA-N 1 0 345.363 -1.557 20 0 EAADRO O=C(c1cccn2nnnc12)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051638277 672816433 /nfs/dbraw/zinc/81/64/33/672816433.db2.gz RCMXYQPKWKWSTN-ZYHUDNBSSA-N 1 0 345.363 -1.557 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051638829 672816916 /nfs/dbraw/zinc/81/69/16/672816916.db2.gz UJUKJFJDSWXUIH-GHMZBOCLSA-N 1 0 331.394 -2.264 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051638834 672816849 /nfs/dbraw/zinc/81/68/49/672816849.db2.gz UJUKJFJDSWXUIH-MNOVXSKESA-N 1 0 331.394 -2.264 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051639008 672816995 /nfs/dbraw/zinc/81/69/95/672816995.db2.gz UJUKJFJDSWXUIH-QWRGUYRKSA-N 1 0 331.394 -2.264 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051639009 672816982 /nfs/dbraw/zinc/81/69/82/672816982.db2.gz UJUKJFJDSWXUIH-WDEREUQCSA-N 1 0 331.394 -2.264 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001051639541 672817213 /nfs/dbraw/zinc/81/72/13/672817213.db2.gz XASMMIYDZWIAHQ-GFCCVEGCSA-N 1 0 343.409 -1.823 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001051639542 672817113 /nfs/dbraw/zinc/81/71/13/672817113.db2.gz XASMMIYDZWIAHQ-LBPRGKRZSA-N 1 0 343.409 -1.823 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)cc1=O ZINC001051640743 672816834 /nfs/dbraw/zinc/81/68/34/672816834.db2.gz IVRSLIDTFATENM-AWEZNQCLSA-N 1 0 346.391 -1.006 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)cc1=O ZINC001051640744 672817183 /nfs/dbraw/zinc/81/71/83/672817183.db2.gz IVRSLIDTFATENM-CQSZACIVSA-N 1 0 346.391 -1.006 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051640978 672816846 /nfs/dbraw/zinc/81/68/46/672816846.db2.gz MDNUATXCJKCPMR-CHWSQXEVSA-N 1 0 346.395 -1.126 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051640979 672817281 /nfs/dbraw/zinc/81/72/81/672817281.db2.gz MDNUATXCJKCPMR-OLZOCXBDSA-N 1 0 346.395 -1.126 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051640980 672817121 /nfs/dbraw/zinc/81/71/21/672817121.db2.gz MDNUATXCJKCPMR-QWHCGFSZSA-N 1 0 346.395 -1.126 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051640981 672817234 /nfs/dbraw/zinc/81/72/34/672817234.db2.gz MDNUATXCJKCPMR-STQMWFEESA-N 1 0 346.395 -1.126 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641046 672816887 /nfs/dbraw/zinc/81/68/87/672816887.db2.gz OENMKJWAKJVHNG-CHWSQXEVSA-N 1 0 336.396 -1.284 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641047 672817148 /nfs/dbraw/zinc/81/71/48/672817148.db2.gz OENMKJWAKJVHNG-OLZOCXBDSA-N 1 0 336.396 -1.284 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641048 672817106 /nfs/dbraw/zinc/81/71/06/672817106.db2.gz OENMKJWAKJVHNG-QWHCGFSZSA-N 1 0 336.396 -1.284 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641049 672817162 /nfs/dbraw/zinc/81/71/62/672817162.db2.gz OENMKJWAKJVHNG-STQMWFEESA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641236 672817597 /nfs/dbraw/zinc/81/75/97/672817597.db2.gz RVHUBNXGAQOUCF-CHWSQXEVSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641237 672817779 /nfs/dbraw/zinc/81/77/79/672817779.db2.gz RVHUBNXGAQOUCF-OLZOCXBDSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641238 672817511 /nfs/dbraw/zinc/81/75/11/672817511.db2.gz RVHUBNXGAQOUCF-QWHCGFSZSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)C1=O ZINC001051641239 672817528 /nfs/dbraw/zinc/81/75/28/672817528.db2.gz RVHUBNXGAQOUCF-STQMWFEESA-N 1 0 336.396 -1.284 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051641266 672817453 /nfs/dbraw/zinc/81/74/53/672817453.db2.gz SKMNYYSLTCSXCE-CYBMUJFWSA-N 1 0 334.384 -1.093 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051641267 672817673 /nfs/dbraw/zinc/81/76/73/672817673.db2.gz SKMNYYSLTCSXCE-ZDUSSCGKSA-N 1 0 334.384 -1.093 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051641272 672817479 /nfs/dbraw/zinc/81/74/79/672817479.db2.gz SSHDDFBEZAQPIT-GHMZBOCLSA-N 1 0 336.352 -2.100 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051641273 672817717 /nfs/dbraw/zinc/81/77/17/672817717.db2.gz SSHDDFBEZAQPIT-MNOVXSKESA-N 1 0 336.352 -2.100 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051641274 672817725 /nfs/dbraw/zinc/81/77/25/672817725.db2.gz SSHDDFBEZAQPIT-QWRGUYRKSA-N 1 0 336.352 -2.100 20 0 EAADRO O=C(Cn1nccn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051641275 672817459 /nfs/dbraw/zinc/81/74/59/672817459.db2.gz SSHDDFBEZAQPIT-WDEREUQCSA-N 1 0 336.352 -2.100 20 0 EAADRO O=C(CCn1ccccc1=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051646709 672818360 /nfs/dbraw/zinc/81/83/60/672818360.db2.gz AQEYNMRMKKOALR-KBPBESRZSA-N 1 0 348.403 -1.056 20 0 EAADRO O=C(CCn1ccccc1=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051646710 672818175 /nfs/dbraw/zinc/81/81/75/672818175.db2.gz AQEYNMRMKKOALR-KGLIPLIRSA-N 1 0 348.403 -1.056 20 0 EAADRO O=C(CCn1ccccc1=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051646711 672818263 /nfs/dbraw/zinc/81/82/63/672818263.db2.gz AQEYNMRMKKOALR-UONOGXRCSA-N 1 0 348.403 -1.056 20 0 EAADRO O=C(CCn1ccccc1=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051646712 672818153 /nfs/dbraw/zinc/81/81/53/672818153.db2.gz AQEYNMRMKKOALR-ZIAGYGMSSA-N 1 0 348.403 -1.056 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)c1=O ZINC001051647015 672818255 /nfs/dbraw/zinc/81/82/55/672818255.db2.gz IPBBKFQPJFMLQP-CYBMUJFWSA-N 1 0 336.392 -1.226 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)c1=O ZINC001051647016 672818454 /nfs/dbraw/zinc/81/84/54/672818454.db2.gz IPBBKFQPJFMLQP-ZDUSSCGKSA-N 1 0 336.392 -1.226 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC1=O ZINC001051647023 672818104 /nfs/dbraw/zinc/81/81/04/672818104.db2.gz ISUZTLLLQFSJBW-AAEUAGOBSA-N 1 0 336.396 -1.390 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC1=O ZINC001051647024 672818409 /nfs/dbraw/zinc/81/84/09/672818409.db2.gz ISUZTLLLQFSJBW-DGCLKSJQSA-N 1 0 336.396 -1.390 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC1=O ZINC001051647025 672818487 /nfs/dbraw/zinc/81/84/87/672818487.db2.gz ISUZTLLLQFSJBW-WCQYABFASA-N 1 0 336.396 -1.390 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC1=O ZINC001051647026 672818384 /nfs/dbraw/zinc/81/83/84/672818384.db2.gz ISUZTLLLQFSJBW-YPMHNXCESA-N 1 0 336.396 -1.390 20 0 EAADRO O=C(c1ccc2n[nH]nc2n1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051647569 672818860 /nfs/dbraw/zinc/81/88/60/672818860.db2.gz ULTPWJCGALYIEA-GXSJLCMTSA-N 1 0 345.363 -1.328 20 0 EAADRO O=C(c1ccc2n[nH]nc2n1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051647570 672818973 /nfs/dbraw/zinc/81/89/73/672818973.db2.gz ULTPWJCGALYIEA-KOLCDFICSA-N 1 0 345.363 -1.328 20 0 EAADRO O=C(c1ccc2n[nH]nc2n1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051647571 672818873 /nfs/dbraw/zinc/81/88/73/672818873.db2.gz ULTPWJCGALYIEA-MWLCHTKSSA-N 1 0 345.363 -1.328 20 0 EAADRO O=C(c1ccc2n[nH]nc2n1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051647572 672818750 /nfs/dbraw/zinc/81/87/50/672818750.db2.gz ULTPWJCGALYIEA-ONGXEEELSA-N 1 0 345.363 -1.328 20 0 EAADRO O=C(CCc1c[nH]cn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051647734 672818847 /nfs/dbraw/zinc/81/88/47/672818847.db2.gz BOEKMGXBNGELOO-CHWSQXEVSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(CCc1c[nH]cn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051647736 672818711 /nfs/dbraw/zinc/81/87/11/672818711.db2.gz BOEKMGXBNGELOO-OLZOCXBDSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(CCc1c[nH]cn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051647738 672818908 /nfs/dbraw/zinc/81/89/08/672818908.db2.gz BOEKMGXBNGELOO-QWHCGFSZSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(CCc1c[nH]cn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051647740 672819078 /nfs/dbraw/zinc/81/90/78/672819078.db2.gz BOEKMGXBNGELOO-STQMWFEESA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1c(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cnn1C ZINC001051648141 672818689 /nfs/dbraw/zinc/81/86/89/672818689.db2.gz IHIXGLPVCFYFAJ-KBPBESRZSA-N 1 0 335.408 -1.023 20 0 EAADRO Cc1c(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cnn1C ZINC001051648142 672818600 /nfs/dbraw/zinc/81/86/00/672818600.db2.gz IHIXGLPVCFYFAJ-KGLIPLIRSA-N 1 0 335.408 -1.023 20 0 EAADRO Cc1c(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cnn1C ZINC001051648143 672818937 /nfs/dbraw/zinc/81/89/37/672818937.db2.gz IHIXGLPVCFYFAJ-UONOGXRCSA-N 1 0 335.408 -1.023 20 0 EAADRO Cc1c(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cnn1C ZINC001051648144 672818762 /nfs/dbraw/zinc/81/87/62/672818762.db2.gz IHIXGLPVCFYFAJ-ZIAGYGMSSA-N 1 0 335.408 -1.023 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001051650769 672819155 /nfs/dbraw/zinc/81/91/55/672819155.db2.gz DKFZKRLTZCBVLU-AAEUAGOBSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001051650773 672819483 /nfs/dbraw/zinc/81/94/83/672819483.db2.gz DKFZKRLTZCBVLU-DGCLKSJQSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001051650775 672819134 /nfs/dbraw/zinc/81/91/34/672819134.db2.gz DKFZKRLTZCBVLU-WCQYABFASA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001051650778 672819512 /nfs/dbraw/zinc/81/95/12/672819512.db2.gz DKFZKRLTZCBVLU-YPMHNXCESA-N 1 0 336.396 -1.342 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051651052 672819186 /nfs/dbraw/zinc/81/91/86/672819186.db2.gz IGKGTAPGBANXHU-NEPJUHHUSA-N 1 0 336.396 -1.074 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051651053 672819523 /nfs/dbraw/zinc/81/95/23/672819523.db2.gz IGKGTAPGBANXHU-NWDGAFQWSA-N 1 0 336.396 -1.074 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051651054 672819414 /nfs/dbraw/zinc/81/94/14/672819414.db2.gz IGKGTAPGBANXHU-RYUDHWBXSA-N 1 0 336.396 -1.074 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051651055 672819460 /nfs/dbraw/zinc/81/94/60/672819460.db2.gz IGKGTAPGBANXHU-VXGBXAGGSA-N 1 0 336.396 -1.074 20 0 EAADRO O=C(Cn1cc(C2CC2)nn1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051654101 672819983 /nfs/dbraw/zinc/81/99/83/672819983.db2.gz HJHLDEPHHJYPJE-CHWSQXEVSA-N 1 0 348.407 -1.139 20 0 EAADRO O=C(Cn1cc(C2CC2)nn1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051654102 672819961 /nfs/dbraw/zinc/81/99/61/672819961.db2.gz HJHLDEPHHJYPJE-OLZOCXBDSA-N 1 0 348.407 -1.139 20 0 EAADRO O=C(Cn1cc(C2CC2)nn1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051654103 672819978 /nfs/dbraw/zinc/81/99/78/672819978.db2.gz HJHLDEPHHJYPJE-QWHCGFSZSA-N 1 0 348.407 -1.139 20 0 EAADRO O=C(Cn1cc(C2CC2)nn1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051654104 672819988 /nfs/dbraw/zinc/81/99/88/672819988.db2.gz HJHLDEPHHJYPJE-STQMWFEESA-N 1 0 348.407 -1.139 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654544 672819876 /nfs/dbraw/zinc/81/98/76/672819876.db2.gz PSORMWZBAFKJLB-GXTWGEPZSA-N 1 0 337.428 -1.133 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654545 672819795 /nfs/dbraw/zinc/81/97/95/672819795.db2.gz PSORMWZBAFKJLB-JSGCOSHPSA-N 1 0 337.428 -1.133 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654546 672819919 /nfs/dbraw/zinc/81/99/19/672819919.db2.gz PSORMWZBAFKJLB-OCCSQVGLSA-N 1 0 337.428 -1.133 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654547 672819760 /nfs/dbraw/zinc/81/97/60/672819760.db2.gz PSORMWZBAFKJLB-TZMCWYRMSA-N 1 0 337.428 -1.133 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051655031 672819827 /nfs/dbraw/zinc/81/98/27/672819827.db2.gz CSODVIQXJPAQOU-NEPJUHHUSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051655033 672819854 /nfs/dbraw/zinc/81/98/54/672819854.db2.gz CSODVIQXJPAQOU-NWDGAFQWSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051655034 672819908 /nfs/dbraw/zinc/81/99/08/672819908.db2.gz CSODVIQXJPAQOU-RYUDHWBXSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051655036 672819690 /nfs/dbraw/zinc/81/96/90/672819690.db2.gz CSODVIQXJPAQOU-VXGBXAGGSA-N 1 0 349.391 -1.015 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CCO2)n1 ZINC001051655057 672819671 /nfs/dbraw/zinc/81/96/71/672819671.db2.gz YCGXOEYRKCEQOI-GXTWGEPZSA-N 1 0 337.428 -1.133 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CCO2)n1 ZINC001051655058 672819952 /nfs/dbraw/zinc/81/99/52/672819952.db2.gz YCGXOEYRKCEQOI-JSGCOSHPSA-N 1 0 337.428 -1.133 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CCO2)n1 ZINC001051655059 672819681 /nfs/dbraw/zinc/81/96/81/672819681.db2.gz YCGXOEYRKCEQOI-OCCSQVGLSA-N 1 0 337.428 -1.133 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CCO2)n1 ZINC001051655060 672820036 /nfs/dbraw/zinc/82/00/36/672820036.db2.gz YCGXOEYRKCEQOI-TZMCWYRMSA-N 1 0 337.428 -1.133 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051655112 672819901 /nfs/dbraw/zinc/81/99/01/672819901.db2.gz DONMMDLAJQTSPX-GHMZBOCLSA-N 1 0 335.364 -1.405 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051655118 672819995 /nfs/dbraw/zinc/81/99/95/672819995.db2.gz DONMMDLAJQTSPX-MNOVXSKESA-N 1 0 335.364 -1.405 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051655121 672820011 /nfs/dbraw/zinc/82/00/11/672820011.db2.gz DONMMDLAJQTSPX-QWRGUYRKSA-N 1 0 335.364 -1.405 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051655123 672819664 /nfs/dbraw/zinc/81/96/64/672819664.db2.gz DONMMDLAJQTSPX-WDEREUQCSA-N 1 0 335.364 -1.405 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051655129 672819930 /nfs/dbraw/zinc/81/99/30/672819930.db2.gz DPUFDOWYIJZDOW-NEPJUHHUSA-N 1 0 340.380 -2.449 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051655131 672819889 /nfs/dbraw/zinc/81/98/89/672819889.db2.gz DPUFDOWYIJZDOW-NWDGAFQWSA-N 1 0 340.380 -2.449 20 0 EAADRO 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/nfs/dbraw/zinc/81/99/37/672819937.db2.gz LAZLCXBFNMRYEK-WDEREUQCSA-N 1 0 345.363 -1.328 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)CCO2)C1=O ZINC001051655657 672819817 /nfs/dbraw/zinc/81/98/17/672819817.db2.gz OKVICFFMAYZNRY-NEPJUHHUSA-N 1 0 349.391 -1.063 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3cc4n(n3)CCO4)CCO2)C1=O ZINC001051655658 672819777 /nfs/dbraw/zinc/81/97/77/672819777.db2.gz OKVICFFMAYZNRY-NWDGAFQWSA-N 1 0 349.391 -1.063 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3cc4n(n3)CCO4)CCO2)C1=O ZINC001051655659 672819787 /nfs/dbraw/zinc/81/97/87/672819787.db2.gz OKVICFFMAYZNRY-RYUDHWBXSA-N 1 0 349.391 -1.063 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)CCO2)C1=O ZINC001051655660 672819860 /nfs/dbraw/zinc/81/98/60/672819860.db2.gz OKVICFFMAYZNRY-VXGBXAGGSA-N 1 0 349.391 -1.063 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001051655792 672819933 /nfs/dbraw/zinc/81/99/33/672819933.db2.gz SCJRZADCMYXPTG-KBPBESRZSA-N 1 0 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EAADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1)S(C)(=O)=O ZINC001051685971 672825364 /nfs/dbraw/zinc/82/53/64/672825364.db2.gz RMQYRVGEOSVZOG-JQWIXIFHSA-N 1 0 345.425 -1.435 20 0 EAADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1)S(C)(=O)=O ZINC001051685972 672825106 /nfs/dbraw/zinc/82/51/06/672825106.db2.gz RMQYRVGEOSVZOG-PWSUYJOCSA-N 1 0 345.425 -1.435 20 0 EAADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1)S(C)(=O)=O ZINC001051685973 672825334 /nfs/dbraw/zinc/82/53/34/672825334.db2.gz RMQYRVGEOSVZOG-ZYHUDNBSSA-N 1 0 345.425 -1.435 20 0 EAADRO Cn1ccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cc1=O ZINC001051689406 672825131 /nfs/dbraw/zinc/82/51/31/672825131.db2.gz XPQHKEASZNRURU-CHWSQXEVSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cc1=O ZINC001051689407 672825041 /nfs/dbraw/zinc/82/50/41/672825041.db2.gz XPQHKEASZNRURU-OLZOCXBDSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cc1=O ZINC001051689408 672825212 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Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CCO2)cn1 ZINC001051690456 672825654 /nfs/dbraw/zinc/82/56/54/672825654.db2.gz JEPNIOVYABOAQK-CYBMUJFWSA-N 1 0 349.395 -1.668 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CCO2)cn1 ZINC001051690457 672825705 /nfs/dbraw/zinc/82/57/05/672825705.db2.gz JEPNIOVYABOAQK-ZDUSSCGKSA-N 1 0 349.395 -1.668 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CCO2)n1 ZINC001051690682 672825730 /nfs/dbraw/zinc/82/57/30/672825730.db2.gz OCKFCFDMFKIIKQ-CYBMUJFWSA-N 1 0 349.395 -1.668 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CCO2)n1 ZINC001051690683 672825617 /nfs/dbraw/zinc/82/56/17/672825617.db2.gz OCKFCFDMFKIIKQ-ZDUSSCGKSA-N 1 0 349.395 -1.668 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@@H](C[NH2+]Cc3ccccn3)C2)c1=O ZINC001051690784 672825688 /nfs/dbraw/zinc/82/56/88/672825688.db2.gz QVMQHCOXOISFIW-AWEZNQCLSA-N 1 0 346.391 -1.006 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@H](C[NH2+]Cc3ccccn3)C2)c1=O ZINC001051690785 672825749 /nfs/dbraw/zinc/82/57/49/672825749.db2.gz QVMQHCOXOISFIW-CQSZACIVSA-N 1 0 346.391 -1.006 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001051690808 672825542 /nfs/dbraw/zinc/82/55/42/672825542.db2.gz RJCMHOOJSVWCJE-GHMZBOCLSA-N 1 0 338.368 -2.713 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001051690809 672825567 /nfs/dbraw/zinc/82/55/67/672825567.db2.gz RJCMHOOJSVWCJE-MNOVXSKESA-N 1 0 338.368 -2.713 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001051690810 672825775 /nfs/dbraw/zinc/82/57/75/672825775.db2.gz RJCMHOOJSVWCJE-QWRGUYRKSA-N 1 0 338.368 -2.713 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001051690811 672825526 /nfs/dbraw/zinc/82/55/26/672825526.db2.gz RJCMHOOJSVWCJE-WDEREUQCSA-N 1 0 338.368 -2.713 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@H](C[NH2+]C[C@H]3CCOC3)C2)c1=O ZINC001051690828 672825804 /nfs/dbraw/zinc/82/58/04/672825804.db2.gz RVTBCHSPAQHQNF-CHWSQXEVSA-N 1 0 339.396 -1.565 20 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/nfs/dbraw/zinc/82/57/81/672825781.db2.gz ZHTFAUPRLMLHAU-NEPJUHHUSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051691103 672825591 /nfs/dbraw/zinc/82/55/91/672825591.db2.gz ZHTFAUPRLMLHAU-NWDGAFQWSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051691104 672825711 /nfs/dbraw/zinc/82/57/11/672825711.db2.gz ZHTFAUPRLMLHAU-RYUDHWBXSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051691105 672825585 /nfs/dbraw/zinc/82/55/85/672825585.db2.gz ZHTFAUPRLMLHAU-VXGBXAGGSA-N 1 0 345.421 -1.873 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@@H](C[NH2+]Cc3cccnc3)C2)c1=O ZINC001051691110 672825735 /nfs/dbraw/zinc/82/57/35/672825735.db2.gz ZKOCOFZJZCSOOT-AWEZNQCLSA-N 1 0 346.391 -1.006 20 0 EAADRO Cn1cnn(CC(=O)N2CCO[C@H](C[NH2+]Cc3cccnc3)C2)c1=O ZINC001051691111 672825811 /nfs/dbraw/zinc/82/58/11/672825811.db2.gz ZKOCOFZJZCSOOT-CQSZACIVSA-N 1 0 346.391 -1.006 20 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ZINC001051699054 672826913 /nfs/dbraw/zinc/82/69/13/672826913.db2.gz MGXCFQPLTJQPEZ-AAEUAGOBSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cnn2c1OCCC2)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051699059 672827045 /nfs/dbraw/zinc/82/70/45/672827045.db2.gz MGXCFQPLTJQPEZ-DGCLKSJQSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cnn2c1OCCC2)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051699064 672827059 /nfs/dbraw/zinc/82/70/59/672827059.db2.gz MGXCFQPLTJQPEZ-WCQYABFASA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cnn2c1OCCC2)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051699067 672826995 /nfs/dbraw/zinc/82/69/95/672826995.db2.gz MGXCFQPLTJQPEZ-YPMHNXCESA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(CN1CCCNC1=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051699099 672827018 /nfs/dbraw/zinc/82/70/18/672827018.db2.gz NHVUDZQWORJRJZ-NEPJUHHUSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(CN1CCCNC1=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051699100 672827200 /nfs/dbraw/zinc/82/72/00/672827200.db2.gz 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O=C(C[NH+]1CCCC1)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001051700516 672826911 /nfs/dbraw/zinc/82/69/11/672826911.db2.gz MANPNWRXRJNVOP-VXGBXAGGSA-N 1 0 346.395 -1.329 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051700559 672826964 /nfs/dbraw/zinc/82/69/64/672826964.db2.gz ZLFVFOQSBUISQK-NEPJUHHUSA-N 1 0 349.391 -1.557 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051700560 672827156 /nfs/dbraw/zinc/82/71/56/672827156.db2.gz ZLFVFOQSBUISQK-NWDGAFQWSA-N 1 0 349.391 -1.557 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051700561 672827001 /nfs/dbraw/zinc/82/70/01/672827001.db2.gz ZLFVFOQSBUISQK-RYUDHWBXSA-N 1 0 349.391 -1.557 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051700562 672827074 /nfs/dbraw/zinc/82/70/74/672827074.db2.gz ZLFVFOQSBUISQK-VXGBXAGGSA-N 1 0 349.391 -1.557 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001051701072 672827472 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EAADRO Cn1cncc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051703390 672827481 /nfs/dbraw/zinc/82/74/81/672827481.db2.gz XNOQNJRPTSFKQJ-QWRGUYRKSA-N 1 0 335.364 -1.344 20 0 EAADRO Cn1cncc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051703391 672827488 /nfs/dbraw/zinc/82/74/88/672827488.db2.gz XNOQNJRPTSFKQJ-WDEREUQCSA-N 1 0 335.364 -1.344 20 0 EAADRO COc1cnc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)nc1 ZINC001051708506 672828044 /nfs/dbraw/zinc/82/80/44/672828044.db2.gz JUSICAYKUDGRFX-NEPJUHHUSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nc1 ZINC001051708507 672827945 /nfs/dbraw/zinc/82/79/45/672827945.db2.gz JUSICAYKUDGRFX-NWDGAFQWSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cnc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nc1 ZINC001051708508 672827998 /nfs/dbraw/zinc/82/79/98/672827998.db2.gz JUSICAYKUDGRFX-RYUDHWBXSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cnc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nc1 ZINC001051708509 672827977 /nfs/dbraw/zinc/82/79/77/672827977.db2.gz JUSICAYKUDGRFX-VXGBXAGGSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1C ZINC001051708902 672828602 /nfs/dbraw/zinc/82/86/02/672828602.db2.gz QKIKJUSTIOOMCH-GHMZBOCLSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1C ZINC001051708903 672828373 /nfs/dbraw/zinc/82/83/73/672828373.db2.gz QKIKJUSTIOOMCH-MNOVXSKESA-N 1 0 337.380 -1.252 20 0 EAADRO COc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1C ZINC001051708904 672828584 /nfs/dbraw/zinc/82/85/84/672828584.db2.gz QKIKJUSTIOOMCH-QWRGUYRKSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1C ZINC001051708905 672828588 /nfs/dbraw/zinc/82/85/88/672828588.db2.gz QKIKJUSTIOOMCH-WDEREUQCSA-N 1 0 337.380 -1.252 20 0 EAADRO O=C(c1ccnc2n[nH]nc21)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051709130 672828558 /nfs/dbraw/zinc/82/85/58/672828558.db2.gz XTEPIAHUXBNRIR-GXSJLCMTSA-N 1 0 345.363 -1.328 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ZINC001051709204 672828494 /nfs/dbraw/zinc/82/84/94/672828494.db2.gz ZLPHZENDLAVXFP-VHSXEESVSA-N 1 0 336.348 -1.302 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)o1 ZINC001051709205 672828546 /nfs/dbraw/zinc/82/85/46/672828546.db2.gz ZLPHZENDLAVXFP-ZJUUUORDSA-N 1 0 336.348 -1.302 20 0 EAADRO COc1nccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051709463 672828534 /nfs/dbraw/zinc/82/85/34/672828534.db2.gz HUNTWYHUNHLFII-GHMZBOCLSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1nccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051709464 672828363 /nfs/dbraw/zinc/82/83/63/672828363.db2.gz HUNTWYHUNHLFII-MNOVXSKESA-N 1 0 335.364 -1.196 20 0 EAADRO COc1nccc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051709465 672828607 /nfs/dbraw/zinc/82/86/07/672828607.db2.gz HUNTWYHUNHLFII-QWRGUYRKSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1nccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051709466 672828473 /nfs/dbraw/zinc/82/84/73/672828473.db2.gz HUNTWYHUNHLFII-WDEREUQCSA-N 1 0 335.364 -1.196 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051710268 672828459 /nfs/dbraw/zinc/82/84/59/672828459.db2.gz XMAWIYWGPNBJFW-AAEUAGOBSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051710269 672828552 /nfs/dbraw/zinc/82/85/52/672828552.db2.gz XMAWIYWGPNBJFW-DGCLKSJQSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051710270 672828586 /nfs/dbraw/zinc/82/85/86/672828586.db2.gz XMAWIYWGPNBJFW-WCQYABFASA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051710271 672828522 /nfs/dbraw/zinc/82/85/22/672828522.db2.gz XMAWIYWGPNBJFW-YPMHNXCESA-N 1 0 334.376 -1.296 20 0 EAADRO O=C(c1cc2n(n1)CCCO2)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051710272 672828568 /nfs/dbraw/zinc/82/85/68/672828568.db2.gz XMHRVGSWBONLCO-NEPJUHHUSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCCO2)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051710273 672828628 /nfs/dbraw/zinc/82/86/28/672828628.db2.gz XMHRVGSWBONLCO-NWDGAFQWSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCCO2)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051710274 672828410 /nfs/dbraw/zinc/82/84/10/672828410.db2.gz XMHRVGSWBONLCO-RYUDHWBXSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCCO2)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051710275 672828320 /nfs/dbraw/zinc/82/83/20/672828320.db2.gz XMHRVGSWBONLCO-VXGBXAGGSA-N 1 0 349.391 -1.015 20 0 EAADRO Cc1cc(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n(C)n1 ZINC001051710922 672829077 /nfs/dbraw/zinc/82/90/77/672829077.db2.gz IKDVESYUTAQVGZ-KBPBESRZSA-N 1 0 335.408 -1.023 20 0 EAADRO Cc1cc(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)n(C)n1 ZINC001051710923 672829114 /nfs/dbraw/zinc/82/91/14/672829114.db2.gz IKDVESYUTAQVGZ-KGLIPLIRSA-N 1 0 335.408 -1.023 20 0 EAADRO Cc1cc(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n(C)n1 ZINC001051710924 672828995 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20 0 EAADRO Cc1cncn1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051717500 672829789 /nfs/dbraw/zinc/82/97/89/672829789.db2.gz ZAQGIXKLNMGVPG-CHWSQXEVSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1cncn1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051717501 672830289 /nfs/dbraw/zinc/83/02/89/672830289.db2.gz ZAQGIXKLNMGVPG-OLZOCXBDSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1cncn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051717502 672830184 /nfs/dbraw/zinc/83/01/84/672830184.db2.gz ZAQGIXKLNMGVPG-QWHCGFSZSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1cncn1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051717503 672830136 /nfs/dbraw/zinc/83/01/36/672830136.db2.gz ZAQGIXKLNMGVPG-STQMWFEESA-N 1 0 349.391 -1.186 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)CCO2)C1=O ZINC001051723101 672830233 /nfs/dbraw/zinc/83/02/33/672830233.db2.gz CMZBIHULAOQCNJ-NEPJUHHUSA-N 1 0 349.391 -1.558 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)CCO2)C1=O ZINC001051723102 672829942 /nfs/dbraw/zinc/82/99/42/672829942.db2.gz CMZBIHULAOQCNJ-NWDGAFQWSA-N 1 0 349.391 -1.558 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)CCO2)C1=O ZINC001051723103 672830002 /nfs/dbraw/zinc/83/00/02/672830002.db2.gz CMZBIHULAOQCNJ-RYUDHWBXSA-N 1 0 349.391 -1.558 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)CCO2)C1=O ZINC001051723104 672830096 /nfs/dbraw/zinc/83/00/96/672830096.db2.gz CMZBIHULAOQCNJ-VXGBXAGGSA-N 1 0 349.391 -1.558 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)ncc1=O ZINC001051723381 672830153 /nfs/dbraw/zinc/83/01/53/672830153.db2.gz KVKWACAVPYCVTG-GHMZBOCLSA-N 1 0 335.364 -1.901 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)ncc1=O ZINC001051723382 672829966 /nfs/dbraw/zinc/82/99/66/672829966.db2.gz KVKWACAVPYCVTG-MNOVXSKESA-N 1 0 335.364 -1.901 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)ncc1=O ZINC001051723383 672830046 /nfs/dbraw/zinc/83/00/46/672830046.db2.gz KVKWACAVPYCVTG-QWRGUYRKSA-N 1 0 335.364 -1.901 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)ncc1=O ZINC001051723384 672829976 /nfs/dbraw/zinc/82/99/76/672829976.db2.gz KVKWACAVPYCVTG-WDEREUQCSA-N 1 0 335.364 -1.901 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)ncc1=O ZINC001051723751 672830751 /nfs/dbraw/zinc/83/07/51/672830751.db2.gz SZYXVEPOGZOSRC-NEPJUHHUSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)ncc1=O ZINC001051723752 672830424 /nfs/dbraw/zinc/83/04/24/672830424.db2.gz SZYXVEPOGZOSRC-NWDGAFQWSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)ncc1=O ZINC001051723753 672830616 /nfs/dbraw/zinc/83/06/16/672830616.db2.gz SZYXVEPOGZOSRC-RYUDHWBXSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)ncc1=O ZINC001051723754 672830570 /nfs/dbraw/zinc/83/05/70/672830570.db2.gz SZYXVEPOGZOSRC-VXGBXAGGSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCO1 ZINC001051724105 672830539 /nfs/dbraw/zinc/83/05/39/672830539.db2.gz XYOCTDLZHIZALD-GFCCVEGCSA-N 1 0 347.379 -1.460 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCO1 ZINC001051724106 672830840 /nfs/dbraw/zinc/83/08/40/672830840.db2.gz XYOCTDLZHIZALD-LBPRGKRZSA-N 1 0 347.379 -1.460 20 0 EAADRO CCn1cc(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001051729275 672831058 /nfs/dbraw/zinc/83/10/58/672831058.db2.gz KGJZCUDFCQYJQY-CHWSQXEVSA-N 1 0 336.396 -1.454 20 0 EAADRO CCn1cc(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001051729276 672830990 /nfs/dbraw/zinc/83/09/90/672830990.db2.gz KGJZCUDFCQYJQY-OLZOCXBDSA-N 1 0 336.396 -1.454 20 0 EAADRO CCn1cc(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001051729277 672831270 /nfs/dbraw/zinc/83/12/70/672831270.db2.gz KGJZCUDFCQYJQY-QWHCGFSZSA-N 1 0 336.396 -1.454 20 0 EAADRO CCn1cc(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001051729278 672830940 /nfs/dbraw/zinc/83/09/40/672830940.db2.gz KGJZCUDFCQYJQY-STQMWFEESA-N 1 0 336.396 -1.454 20 0 EAADRO CCn1cc(CC(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)nn1 ZINC001051729478 672831240 /nfs/dbraw/zinc/83/12/40/672831240.db2.gz OZZYILLQBNVERK-AWEZNQCLSA-N 1 0 348.411 -1.014 20 0 EAADRO CCn1cc(CC(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)nn1 ZINC001051729479 672831149 /nfs/dbraw/zinc/83/11/49/672831149.db2.gz OZZYILLQBNVERK-CQSZACIVSA-N 1 0 348.411 -1.014 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051730797 672831909 /nfs/dbraw/zinc/83/19/09/672831909.db2.gz DCSPOJAAVFEWTM-NEPJUHHUSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051730800 672831702 /nfs/dbraw/zinc/83/17/02/672831702.db2.gz DCSPOJAAVFEWTM-RYUDHWBXSA-N 1 0 345.421 -1.873 20 0 EAADRO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCO1 ZINC001051730896 672831555 /nfs/dbraw/zinc/83/15/55/672831555.db2.gz GHHZGRYFUUSZSX-MNOVXSKESA-N 1 0 333.410 -1.875 20 0 EAADRO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCO1 ZINC001051730897 672831779 /nfs/dbraw/zinc/83/17/79/672831779.db2.gz GHHZGRYFUUSZSX-QWRGUYRKSA-N 1 0 333.410 -1.875 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCO1 ZINC001051731726 672831531 /nfs/dbraw/zinc/83/15/31/672831531.db2.gz LCEZHNQCOMTUAH-DOMZBBRYSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCO1 ZINC001051731729 672831688 /nfs/dbraw/zinc/83/16/88/672831688.db2.gz LCEZHNQCOMTUAH-IUODEOHRSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCO1 ZINC001051731733 672831458 /nfs/dbraw/zinc/83/14/58/672831458.db2.gz LCEZHNQCOMTUAH-SWLSCSKDSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCO1 ZINC001051731736 672831547 /nfs/dbraw/zinc/83/15/47/672831547.db2.gz LCEZHNQCOMTUAH-WFASDCNBSA-N 1 0 336.396 -1.342 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)co1 ZINC001051735134 672832184 /nfs/dbraw/zinc/83/21/84/672832184.db2.gz IDCZQUXZLLMMDS-GHMZBOCLSA-N 1 0 336.348 -1.302 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)co1 ZINC001051735135 672832118 /nfs/dbraw/zinc/83/21/18/672832118.db2.gz IDCZQUXZLLMMDS-MNOVXSKESA-N 1 0 336.348 -1.302 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)co1 ZINC001051735136 672832164 /nfs/dbraw/zinc/83/21/64/672832164.db2.gz IDCZQUXZLLMMDS-QWRGUYRKSA-N 1 0 336.348 -1.302 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)co1 ZINC001051735137 672832210 /nfs/dbraw/zinc/83/22/10/672832210.db2.gz IDCZQUXZLLMMDS-WDEREUQCSA-N 1 0 336.348 -1.302 20 0 EAADRO O=C(c1csnn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051740786 672833020 /nfs/dbraw/zinc/83/30/20/672833020.db2.gz PXHORHOIOFVHJE-BDAKNGLRSA-N 1 0 339.377 -1.226 20 0 EAADRO O=C(c1csnn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051740787 672833245 /nfs/dbraw/zinc/83/32/45/672833245.db2.gz PXHORHOIOFVHJE-DTWKUNHWSA-N 1 0 339.377 -1.226 20 0 EAADRO O=C(c1csnn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051740788 672833123 /nfs/dbraw/zinc/83/31/23/672833123.db2.gz PXHORHOIOFVHJE-IUCAKERBSA-N 1 0 339.377 -1.226 20 0 EAADRO O=C(c1csnn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051740789 672832981 /nfs/dbraw/zinc/83/29/81/672832981.db2.gz PXHORHOIOFVHJE-RKDXNWHRSA-N 1 0 339.377 -1.226 20 0 EAADRO O=C(CCn1ccnc1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051744426 672833532 /nfs/dbraw/zinc/83/35/32/672833532.db2.gz JLGPUYDEKLLOHS-CHWSQXEVSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(CCn1ccnc1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051744427 672833416 /nfs/dbraw/zinc/83/34/16/672833416.db2.gz JLGPUYDEKLLOHS-OLZOCXBDSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(CCn1ccnc1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051744428 672833708 /nfs/dbraw/zinc/83/37/08/672833708.db2.gz JLGPUYDEKLLOHS-QWHCGFSZSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(CCn1ccnc1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051744429 672833429 /nfs/dbraw/zinc/83/34/29/672833429.db2.gz JLGPUYDEKLLOHS-STQMWFEESA-N 1 0 349.391 -1.105 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051747934 672833693 /nfs/dbraw/zinc/83/36/93/672833693.db2.gz UAYHHLOAQOOCLC-CMPLNLGQSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051747936 672833929 /nfs/dbraw/zinc/83/39/29/672833929.db2.gz UAYHHLOAQOOCLC-JQWIXIFHSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051747938 672834119 /nfs/dbraw/zinc/83/41/19/672834119.db2.gz UAYHHLOAQOOCLC-PWSUYJOCSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1n[nH]cc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051747940 672834126 /nfs/dbraw/zinc/83/41/26/672834126.db2.gz UAYHHLOAQOOCLC-ZYHUDNBSSA-N 1 0 335.364 -1.046 20 0 EAADRO COc1nn(C)cc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051749612 672834111 /nfs/dbraw/zinc/83/41/11/672834111.db2.gz HAZLTSCFFCDWJD-CMPLNLGQSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1nn(C)cc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051749613 672833962 /nfs/dbraw/zinc/83/39/62/672833962.db2.gz HAZLTSCFFCDWJD-JQWIXIFHSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1nn(C)cc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051749614 672834131 /nfs/dbraw/zinc/83/41/31/672834131.db2.gz HAZLTSCFFCDWJD-PWSUYJOCSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1nn(C)cc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051749615 672833945 /nfs/dbraw/zinc/83/39/45/672833945.db2.gz HAZLTSCFFCDWJD-ZYHUDNBSSA-N 1 0 337.380 -1.252 20 0 EAADRO O=C(c1ccn2nnnc2c1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051750510 672834698 /nfs/dbraw/zinc/83/46/98/672834698.db2.gz NUCCKZXYXMEFST-NEPJUHHUSA-N 1 0 345.363 -1.557 20 0 EAADRO O=C(c1ccn2nnnc2c1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051750513 672834552 /nfs/dbraw/zinc/83/45/52/672834552.db2.gz NUCCKZXYXMEFST-NWDGAFQWSA-N 1 0 345.363 -1.557 20 0 EAADRO O=C(c1ccn2nnnc2c1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051750514 672834594 /nfs/dbraw/zinc/83/45/94/672834594.db2.gz NUCCKZXYXMEFST-RYUDHWBXSA-N 1 0 345.363 -1.557 20 0 EAADRO O=C(c1ccn2nnnc2c1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051750515 672834675 /nfs/dbraw/zinc/83/46/75/672834675.db2.gz NUCCKZXYXMEFST-VXGBXAGGSA-N 1 0 345.363 -1.557 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051751375 672834645 /nfs/dbraw/zinc/83/46/45/672834645.db2.gz WLGKZDZLLRUNCT-NXEZZACHSA-N 1 0 336.352 -1.651 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051751376 672834585 /nfs/dbraw/zinc/83/45/85/672834585.db2.gz WLGKZDZLLRUNCT-UWVGGRQHSA-N 1 0 336.352 -1.651 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051751377 672834461 /nfs/dbraw/zinc/83/44/61/672834461.db2.gz WLGKZDZLLRUNCT-VHSXEESVSA-N 1 0 336.352 -1.651 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051751378 672834397 /nfs/dbraw/zinc/83/43/97/672834397.db2.gz WLGKZDZLLRUNCT-ZJUUUORDSA-N 1 0 336.352 -1.651 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001051752152 672834884 /nfs/dbraw/zinc/83/48/84/672834884.db2.gz FDGFUDHECBEFON-KBPBESRZSA-N 1 0 340.424 -1.728 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001051752153 672835291 /nfs/dbraw/zinc/83/52/91/672835291.db2.gz FDGFUDHECBEFON-KGLIPLIRSA-N 1 0 340.424 -1.728 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001051752154 672834955 /nfs/dbraw/zinc/83/49/55/672834955.db2.gz FDGFUDHECBEFON-UONOGXRCSA-N 1 0 340.424 -1.728 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001051752155 672835161 /nfs/dbraw/zinc/83/51/61/672835161.db2.gz FDGFUDHECBEFON-ZIAGYGMSSA-N 1 0 340.424 -1.728 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)cc1=O ZINC001051752204 672835179 /nfs/dbraw/zinc/83/51/79/672835179.db2.gz GCGNXZXGVNWZKA-KBPBESRZSA-N 1 0 348.403 -1.162 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)cc1=O ZINC001051752205 672835104 /nfs/dbraw/zinc/83/51/04/672835104.db2.gz GCGNXZXGVNWZKA-KGLIPLIRSA-N 1 0 348.403 -1.162 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)cc1=O ZINC001051752206 672835231 /nfs/dbraw/zinc/83/52/31/672835231.db2.gz GCGNXZXGVNWZKA-UONOGXRCSA-N 1 0 348.403 -1.162 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)cc1=O ZINC001051752207 672835184 /nfs/dbraw/zinc/83/51/84/672835184.db2.gz GCGNXZXGVNWZKA-ZIAGYGMSSA-N 1 0 348.403 -1.162 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051752396 672835014 /nfs/dbraw/zinc/83/50/14/672835014.db2.gz IXOOYZAKUIWRCM-CHWSQXEVSA-N 1 0 336.396 -1.249 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051752397 672835056 /nfs/dbraw/zinc/83/50/56/672835056.db2.gz IXOOYZAKUIWRCM-OLZOCXBDSA-N 1 0 336.396 -1.249 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051752398 672834903 /nfs/dbraw/zinc/83/49/03/672834903.db2.gz IXOOYZAKUIWRCM-QWHCGFSZSA-N 1 0 336.396 -1.249 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051752399 672835196 /nfs/dbraw/zinc/83/51/96/672835196.db2.gz IXOOYZAKUIWRCM-STQMWFEESA-N 1 0 336.396 -1.249 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)n1 ZINC001051752462 672835153 /nfs/dbraw/zinc/83/51/53/672835153.db2.gz KHXXHBGJSMMIKN-CHWSQXEVSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)n1 ZINC001051752463 672835304 /nfs/dbraw/zinc/83/53/04/672835304.db2.gz KHXXHBGJSMMIKN-OLZOCXBDSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)n1 ZINC001051752464 672835272 /nfs/dbraw/zinc/83/52/72/672835272.db2.gz KHXXHBGJSMMIKN-QWHCGFSZSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)n1 ZINC001051752465 672835188 /nfs/dbraw/zinc/83/51/88/672835188.db2.gz KHXXHBGJSMMIKN-STQMWFEESA-N 1 0 349.391 -1.062 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051752516 672834972 /nfs/dbraw/zinc/83/49/72/672834972.db2.gz LLDAHCAFSMUDHR-GXSJLCMTSA-N 1 0 325.394 -1.009 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051752517 672835022 /nfs/dbraw/zinc/83/50/22/672835022.db2.gz LLDAHCAFSMUDHR-KOLCDFICSA-N 1 0 325.394 -1.009 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051752518 672834895 /nfs/dbraw/zinc/83/48/95/672834895.db2.gz LLDAHCAFSMUDHR-MWLCHTKSSA-N 1 0 325.394 -1.009 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051752519 672835263 /nfs/dbraw/zinc/83/52/63/672835263.db2.gz LLDAHCAFSMUDHR-ONGXEEELSA-N 1 0 325.394 -1.009 20 0 EAADRO COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)n1 ZINC001051752606 672834888 /nfs/dbraw/zinc/83/48/88/672834888.db2.gz MSLACTWIXURFKI-CHWSQXEVSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)n1 ZINC001051752607 672835138 /nfs/dbraw/zinc/83/51/38/672835138.db2.gz MSLACTWIXURFKI-OLZOCXBDSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)n1 ZINC001051752608 672835073 /nfs/dbraw/zinc/83/50/73/672835073.db2.gz MSLACTWIXURFKI-QWHCGFSZSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)n1 ZINC001051752609 672835777 /nfs/dbraw/zinc/83/57/77/672835777.db2.gz MSLACTWIXURFKI-STQMWFEESA-N 1 0 349.391 -1.062 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051752836 672835427 /nfs/dbraw/zinc/83/54/27/672835427.db2.gz RDEZWXCOGQSAKV-NEPJUHHUSA-N 1 0 339.396 -2.876 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051752837 672835444 /nfs/dbraw/zinc/83/54/44/672835444.db2.gz RDEZWXCOGQSAKV-NWDGAFQWSA-N 1 0 339.396 -2.876 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051752838 672835692 /nfs/dbraw/zinc/83/56/92/672835692.db2.gz RDEZWXCOGQSAKV-RYUDHWBXSA-N 1 0 339.396 -2.876 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051752839 672835605 /nfs/dbraw/zinc/83/56/05/672835605.db2.gz RDEZWXCOGQSAKV-VXGBXAGGSA-N 1 0 339.396 -2.876 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001051752979 672835759 /nfs/dbraw/zinc/83/57/59/672835759.db2.gz UOZFFJZHSJSZQS-HNNXBMFYSA-N 1 0 347.419 -1.170 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001051752980 672835502 /nfs/dbraw/zinc/83/55/02/672835502.db2.gz UOZFFJZHSJSZQS-OAHLLOKOSA-N 1 0 347.419 -1.170 20 0 EAADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)nn1 ZINC001051753001 672835724 /nfs/dbraw/zinc/83/57/24/672835724.db2.gz UWBVVMFWTCKSMO-CHWSQXEVSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)nn1 ZINC001051753002 672835421 /nfs/dbraw/zinc/83/54/21/672835421.db2.gz UWBVVMFWTCKSMO-OLZOCXBDSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)nn1 ZINC001051753003 672835740 /nfs/dbraw/zinc/83/57/40/672835740.db2.gz UWBVVMFWTCKSMO-QWHCGFSZSA-N 1 0 349.391 -1.062 20 0 EAADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)nn1 ZINC001051753004 672835792 /nfs/dbraw/zinc/83/57/92/672835792.db2.gz UWBVVMFWTCKSMO-STQMWFEESA-N 1 0 349.391 -1.062 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001051753201 672835707 /nfs/dbraw/zinc/83/57/07/672835707.db2.gz YCKQFONPKYCYCM-HNNXBMFYSA-N 1 0 347.419 -1.170 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCO[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001051753202 672835757 /nfs/dbraw/zinc/83/57/57/672835757.db2.gz YCKQFONPKYCYCM-OAHLLOKOSA-N 1 0 347.419 -1.170 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051755612 672836226 /nfs/dbraw/zinc/83/62/26/672836226.db2.gz JLTNRRBOACGAKC-GHMZBOCLSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051755613 672836310 /nfs/dbraw/zinc/83/63/10/672836310.db2.gz JLTNRRBOACGAKC-MNOVXSKESA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051755614 672835956 /nfs/dbraw/zinc/83/59/56/672835956.db2.gz JLTNRRBOACGAKC-QWRGUYRKSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051755615 672836343 /nfs/dbraw/zinc/83/63/43/672836343.db2.gz JLTNRRBOACGAKC-WDEREUQCSA-N 1 0 337.380 -1.165 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)n3C)CCO2)C1=O ZINC001051755930 672836153 /nfs/dbraw/zinc/83/61/53/672836153.db2.gz MADNRURUHVFAOI-GHMZBOCLSA-N 1 0 337.380 -1.213 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)n3C)CCO2)C1=O ZINC001051755931 672836240 /nfs/dbraw/zinc/83/62/40/672836240.db2.gz MADNRURUHVFAOI-MNOVXSKESA-N 1 0 337.380 -1.213 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)n3C)CCO2)C1=O ZINC001051755932 672836327 /nfs/dbraw/zinc/83/63/27/672836327.db2.gz MADNRURUHVFAOI-QWRGUYRKSA-N 1 0 337.380 -1.213 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)n3C)CCO2)C1=O ZINC001051755933 672836068 /nfs/dbraw/zinc/83/60/68/672836068.db2.gz MADNRURUHVFAOI-WDEREUQCSA-N 1 0 337.380 -1.213 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001051756262 672836352 /nfs/dbraw/zinc/83/63/52/672836352.db2.gz OPJIJEVPDAATNE-NEPJUHHUSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001051756263 672836262 /nfs/dbraw/zinc/83/62/62/672836262.db2.gz OPJIJEVPDAATNE-NWDGAFQWSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001051756264 672836277 /nfs/dbraw/zinc/83/62/77/672836277.db2.gz OPJIJEVPDAATNE-RYUDHWBXSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001051756265 672836294 /nfs/dbraw/zinc/83/62/94/672836294.db2.gz OPJIJEVPDAATNE-VXGBXAGGSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)CCO2)n1 ZINC001051756602 672836513 /nfs/dbraw/zinc/83/65/13/672836513.db2.gz RRSIWSULEJMGES-CHWSQXEVSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)CCO2)n1 ZINC001051756603 672836950 /nfs/dbraw/zinc/83/69/50/672836950.db2.gz RRSIWSULEJMGES-OLZOCXBDSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)CCO2)n1 ZINC001051756604 672836612 /nfs/dbraw/zinc/83/66/12/672836612.db2.gz RRSIWSULEJMGES-QWHCGFSZSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)CCO2)n1 ZINC001051756605 672836915 /nfs/dbraw/zinc/83/69/15/672836915.db2.gz RRSIWSULEJMGES-STQMWFEESA-N 1 0 336.396 -1.239 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccnn3C)C2)NC1=O ZINC001051756638 672836752 /nfs/dbraw/zinc/83/67/52/672836752.db2.gz SSSNYJMRYFBEME-CHWSQXEVSA-N 1 0 336.396 -1.239 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccnn3C)C2)NC1=O ZINC001051756639 672836730 /nfs/dbraw/zinc/83/67/30/672836730.db2.gz SSSNYJMRYFBEME-OLZOCXBDSA-N 1 0 336.396 -1.239 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccnn3C)C2)NC1=O ZINC001051756640 672836928 /nfs/dbraw/zinc/83/69/28/672836928.db2.gz SSSNYJMRYFBEME-QWHCGFSZSA-N 1 0 336.396 -1.239 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccnn3C)C2)NC1=O ZINC001051756641 672836622 /nfs/dbraw/zinc/83/66/22/672836622.db2.gz SSSNYJMRYFBEME-STQMWFEESA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CCO1 ZINC001051756882 672836536 /nfs/dbraw/zinc/83/65/36/672836536.db2.gz UELNKSCQNJXUND-LLVKDONJSA-N 1 0 335.368 -1.115 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)CCO1 ZINC001051756883 672837017 /nfs/dbraw/zinc/83/70/17/672837017.db2.gz UELNKSCQNJXUND-NSHDSACASA-N 1 0 335.368 -1.115 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001051756952 672836544 /nfs/dbraw/zinc/83/65/44/672836544.db2.gz VNEJZHVYUPNMAE-CHWSQXEVSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001051756953 672836719 /nfs/dbraw/zinc/83/67/19/672836719.db2.gz VNEJZHVYUPNMAE-OLZOCXBDSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001051756954 672836638 /nfs/dbraw/zinc/83/66/38/672836638.db2.gz VNEJZHVYUPNMAE-QWHCGFSZSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001051756955 672836802 /nfs/dbraw/zinc/83/68/02/672836802.db2.gz VNEJZHVYUPNMAE-STQMWFEESA-N 1 0 336.396 -1.239 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnns3)C2)NC1=O ZINC001051757016 672836823 /nfs/dbraw/zinc/83/68/23/672836823.db2.gz XCYFIBFPKBVUFE-GXSJLCMTSA-N 1 0 340.409 -1.121 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnns3)C2)NC1=O ZINC001051757017 672836768 /nfs/dbraw/zinc/83/67/68/672836768.db2.gz XCYFIBFPKBVUFE-KOLCDFICSA-N 1 0 340.409 -1.121 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnns3)C2)NC1=O ZINC001051757018 672836654 /nfs/dbraw/zinc/83/66/54/672836654.db2.gz XCYFIBFPKBVUFE-MWLCHTKSSA-N 1 0 340.409 -1.121 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnns3)C2)NC1=O ZINC001051757019 672836602 /nfs/dbraw/zinc/83/66/02/672836602.db2.gz XCYFIBFPKBVUFE-ONGXEEELSA-N 1 0 340.409 -1.121 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)NC1=O ZINC001051757040 672836908 /nfs/dbraw/zinc/83/69/08/672836908.db2.gz XPSKABQYUHCRDA-NEPJUHHUSA-N 1 0 337.384 -1.844 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)NC1=O ZINC001051757041 672836742 /nfs/dbraw/zinc/83/67/42/672836742.db2.gz XPSKABQYUHCRDA-NWDGAFQWSA-N 1 0 337.384 -1.844 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)NC1=O ZINC001051757042 672836708 /nfs/dbraw/zinc/83/67/08/672836708.db2.gz XPSKABQYUHCRDA-RYUDHWBXSA-N 1 0 337.384 -1.844 20 0 EAADRO CN1C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)NC1=O ZINC001051757043 672836897 /nfs/dbraw/zinc/83/68/97/672836897.db2.gz XPSKABQYUHCRDA-VXGBXAGGSA-N 1 0 337.384 -1.844 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)CCO2)cn1 ZINC001051757168 672837004 /nfs/dbraw/zinc/83/70/04/672837004.db2.gz YAIVIAHJGIAIMA-CHWSQXEVSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)CCO2)cn1 ZINC001051757169 672836850 /nfs/dbraw/zinc/83/68/50/672836850.db2.gz YAIVIAHJGIAIMA-OLZOCXBDSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)CCO2)cn1 ZINC001051757170 672836503 /nfs/dbraw/zinc/83/65/03/672836503.db2.gz YAIVIAHJGIAIMA-QWHCGFSZSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)CCO2)cn1 ZINC001051757171 672836591 /nfs/dbraw/zinc/83/65/91/672836591.db2.gz YAIVIAHJGIAIMA-STQMWFEESA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCO1 ZINC001051766681 672837451 /nfs/dbraw/zinc/83/74/51/672837451.db2.gz FNKLVSKZZKJLEL-OLZOCXBDSA-N 1 0 336.396 -1.247 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCO1 ZINC001051766682 672837274 /nfs/dbraw/zinc/83/72/74/672837274.db2.gz FNKLVSKZZKJLEL-STQMWFEESA-N 1 0 336.396 -1.247 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051771133 672837784 /nfs/dbraw/zinc/83/77/84/672837784.db2.gz ALHHZXDJLVVMKS-BDAKNGLRSA-N 1 0 337.340 -2.554 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051771134 672837967 /nfs/dbraw/zinc/83/79/67/672837967.db2.gz ALHHZXDJLVVMKS-DTWKUNHWSA-N 1 0 337.340 -2.554 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051771135 672837844 /nfs/dbraw/zinc/83/78/44/672837844.db2.gz ALHHZXDJLVVMKS-IUCAKERBSA-N 1 0 337.340 -2.554 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051771136 672837741 /nfs/dbraw/zinc/83/77/41/672837741.db2.gz ALHHZXDJLVVMKS-RKDXNWHRSA-N 1 0 337.340 -2.554 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)n1 ZINC001051771278 672837833 /nfs/dbraw/zinc/83/78/33/672837833.db2.gz BPDPIQYOJMCXSY-CYBMUJFWSA-N 1 0 346.395 -1.016 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)n1 ZINC001051771280 672838204 /nfs/dbraw/zinc/83/82/04/672838204.db2.gz BPDPIQYOJMCXSY-ZDUSSCGKSA-N 1 0 346.395 -1.016 20 0 EAADRO CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051771439 672838404 /nfs/dbraw/zinc/83/84/04/672838404.db2.gz CLSGILVMTDEFNL-LLVKDONJSA-N 1 0 349.399 -1.239 20 0 EAADRO CCn1nnc(C)c1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051771440 672838525 /nfs/dbraw/zinc/83/85/25/672838525.db2.gz CLSGILVMTDEFNL-NSHDSACASA-N 1 0 349.399 -1.239 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)ncn1 ZINC001051772213 672838486 /nfs/dbraw/zinc/83/84/86/672838486.db2.gz HSVUNQWQVCESNJ-GFCCVEGCSA-N 1 0 332.368 -1.061 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)ncn1 ZINC001051772214 672838188 /nfs/dbraw/zinc/83/81/88/672838188.db2.gz HSVUNQWQVCESNJ-LBPRGKRZSA-N 1 0 332.368 -1.061 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051772268 672838412 /nfs/dbraw/zinc/83/84/12/672838412.db2.gz IKMIQPWGYBFQMO-LLVKDONJSA-N 1 0 332.368 -1.061 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051772270 672838251 /nfs/dbraw/zinc/83/82/51/672838251.db2.gz IKMIQPWGYBFQMO-NSHDSACASA-N 1 0 332.368 -1.061 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)n1 ZINC001051772298 672838314 /nfs/dbraw/zinc/83/83/14/672838314.db2.gz IUCZEFGMOYXQNZ-GHMZBOCLSA-N 1 0 347.383 -1.580 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)n1 ZINC001051772300 672838239 /nfs/dbraw/zinc/83/82/39/672838239.db2.gz IUCZEFGMOYXQNZ-MNOVXSKESA-N 1 0 347.383 -1.580 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)n1 ZINC001051772302 672838607 /nfs/dbraw/zinc/83/86/07/672838607.db2.gz IUCZEFGMOYXQNZ-QWRGUYRKSA-N 1 0 347.383 -1.580 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)n1 ZINC001051772304 672838308 /nfs/dbraw/zinc/83/83/08/672838308.db2.gz IUCZEFGMOYXQNZ-WDEREUQCSA-N 1 0 347.383 -1.580 20 0 EAADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)nn1 ZINC001051772538 672838423 /nfs/dbraw/zinc/83/84/23/672838423.db2.gz JPQMQPGQOWFWKC-LLVKDONJSA-N 1 0 348.367 -1.361 20 0 EAADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)nn1 ZINC001051772540 672838392 /nfs/dbraw/zinc/83/83/92/672838392.db2.gz JPQMQPGQOWFWKC-NSHDSACASA-N 1 0 348.367 -1.361 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)n1 ZINC001051772661 672838278 /nfs/dbraw/zinc/83/82/78/672838278.db2.gz KSVPZVXNYFPOIF-LLVKDONJSA-N 1 0 348.367 -1.361 20 0 EAADRO COc1nccc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)n1 ZINC001051772663 672838599 /nfs/dbraw/zinc/83/85/99/672838599.db2.gz KSVPZVXNYFPOIF-NSHDSACASA-N 1 0 348.367 -1.361 20 0 EAADRO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)cn1 ZINC001051772924 672838448 /nfs/dbraw/zinc/83/84/48/672838448.db2.gz MLXMWXKZFXIWIK-GFCCVEGCSA-N 1 0 332.368 -1.061 20 0 EAADRO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)cn1 ZINC001051772925 672838474 /nfs/dbraw/zinc/83/84/74/672838474.db2.gz MLXMWXKZFXIWIK-LBPRGKRZSA-N 1 0 332.368 -1.061 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)n1 ZINC001051773303 672838170 /nfs/dbraw/zinc/83/81/70/672838170.db2.gz OXGQWXJLCWUJIJ-GFCCVEGCSA-N 1 0 347.379 -1.460 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)n1 ZINC001051773306 672838229 /nfs/dbraw/zinc/83/82/29/672838229.db2.gz OXGQWXJLCWUJIJ-LBPRGKRZSA-N 1 0 347.379 -1.460 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)C1=O ZINC001051773622 672838619 /nfs/dbraw/zinc/83/86/19/672838619.db2.gz QTICFFJNWJDPPB-GHMZBOCLSA-N 1 0 337.384 -1.739 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)C1=O ZINC001051773625 672838661 /nfs/dbraw/zinc/83/86/61/672838661.db2.gz QTICFFJNWJDPPB-MNOVXSKESA-N 1 0 337.384 -1.739 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)C1=O ZINC001051773628 672838552 /nfs/dbraw/zinc/83/85/52/672838552.db2.gz QTICFFJNWJDPPB-QWRGUYRKSA-N 1 0 337.384 -1.739 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)C1=O ZINC001051773631 672838499 /nfs/dbraw/zinc/83/84/99/672838499.db2.gz QTICFFJNWJDPPB-WDEREUQCSA-N 1 0 337.384 -1.739 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)nn1C ZINC001051773709 672838437 /nfs/dbraw/zinc/83/84/37/672838437.db2.gz ROFTVUMODWAIIA-GFCCVEGCSA-N 1 0 334.384 -1.117 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)nn1C ZINC001051773710 672838372 /nfs/dbraw/zinc/83/83/72/672838372.db2.gz ROFTVUMODWAIIA-LBPRGKRZSA-N 1 0 334.384 -1.117 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774291 672839263 /nfs/dbraw/zinc/83/92/63/672839263.db2.gz WCNQPVCVBOJLTM-GFCCVEGCSA-N 1 0 334.384 -1.117 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774292 672838928 /nfs/dbraw/zinc/83/89/28/672838928.db2.gz WCNQPVCVBOJLTM-LBPRGKRZSA-N 1 0 334.384 -1.117 20 0 EAADRO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)cn1 ZINC001051774405 672839012 /nfs/dbraw/zinc/83/90/12/672839012.db2.gz XBZNTFBEFCNNJV-GFCCVEGCSA-N 1 0 332.368 -1.061 20 0 EAADRO Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)cn1 ZINC001051774406 672839240 /nfs/dbraw/zinc/83/92/40/672839240.db2.gz XBZNTFBEFCNNJV-LBPRGKRZSA-N 1 0 332.368 -1.061 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774488 672839306 /nfs/dbraw/zinc/83/93/06/672839306.db2.gz YGLQUWGEIQEBRL-LLVKDONJSA-N 1 0 335.372 -1.548 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774490 672838829 /nfs/dbraw/zinc/83/88/29/672838829.db2.gz YGLQUWGEIQEBRL-NSHDSACASA-N 1 0 335.372 -1.548 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)n1 ZINC001051774492 672839251 /nfs/dbraw/zinc/83/92/51/672839251.db2.gz YHBUJKLQDMVHRN-GHMZBOCLSA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)n1 ZINC001051774494 672838891 /nfs/dbraw/zinc/83/88/91/672838891.db2.gz YHBUJKLQDMVHRN-MNOVXSKESA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)n1 ZINC001051774579 672839299 /nfs/dbraw/zinc/83/92/99/672839299.db2.gz YHBUJKLQDMVHRN-QWRGUYRKSA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)n1 ZINC001051774581 672838977 /nfs/dbraw/zinc/83/89/77/672838977.db2.gz YHBUJKLQDMVHRN-WDEREUQCSA-N 1 0 337.384 -1.739 20 0 EAADRO COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)n1 ZINC001051774689 672838942 /nfs/dbraw/zinc/83/89/42/672838942.db2.gz ZUPFOILIXADKBH-LLVKDONJSA-N 1 0 348.367 -1.361 20 0 EAADRO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)n1 ZINC001051774690 672838968 /nfs/dbraw/zinc/83/89/68/672838968.db2.gz ZUPFOILIXADKBH-NSHDSACASA-N 1 0 348.367 -1.361 20 0 EAADRO Cc1cnn(C)c1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051778041 672839082 /nfs/dbraw/zinc/83/90/82/672839082.db2.gz RIPROLWAMDKBBJ-NEPJUHHUSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cnn(C)c1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051778042 672839027 /nfs/dbraw/zinc/83/90/27/672839027.db2.gz RIPROLWAMDKBBJ-NWDGAFQWSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cnn(C)c1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051778043 672839332 /nfs/dbraw/zinc/83/93/32/672839332.db2.gz RIPROLWAMDKBBJ-RYUDHWBXSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1cnn(C)c1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051778044 672838916 /nfs/dbraw/zinc/83/89/16/672838916.db2.gz RIPROLWAMDKBBJ-VXGBXAGGSA-N 1 0 349.391 -1.036 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)C1=O ZINC001051779924 672839804 /nfs/dbraw/zinc/83/98/04/672839804.db2.gz LBTPLBFDKOEDIV-CHWSQXEVSA-N 1 0 336.396 -1.390 20 0 EAADRO CN1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)C1=O ZINC001051779925 672839830 /nfs/dbraw/zinc/83/98/30/672839830.db2.gz LBTPLBFDKOEDIV-OLZOCXBDSA-N 1 0 336.396 -1.390 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)C1=O ZINC001051779926 672839671 /nfs/dbraw/zinc/83/96/71/672839671.db2.gz LBTPLBFDKOEDIV-QWHCGFSZSA-N 1 0 336.396 -1.390 20 0 EAADRO CN1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)C1=O ZINC001051779927 672839785 /nfs/dbraw/zinc/83/97/85/672839785.db2.gz LBTPLBFDKOEDIV-STQMWFEESA-N 1 0 336.396 -1.390 20 0 EAADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051780575 672839523 /nfs/dbraw/zinc/83/95/23/672839523.db2.gz PESKVRBXUIBQKS-BYNIDDHOSA-N 1 0 337.376 -1.499 20 0 EAADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051780580 672839570 /nfs/dbraw/zinc/83/95/70/672839570.db2.gz PESKVRBXUIBQKS-DIACKHNESA-N 1 0 337.376 -1.499 20 0 EAADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051780583 672839723 /nfs/dbraw/zinc/83/97/23/672839723.db2.gz PESKVRBXUIBQKS-JLDUMIBSSA-N 1 0 337.376 -1.499 20 0 EAADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051780586 672839678 /nfs/dbraw/zinc/83/96/78/672839678.db2.gz PESKVRBXUIBQKS-YCGPCKTQSA-N 1 0 337.376 -1.499 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051782444 672840265 /nfs/dbraw/zinc/84/02/65/672840265.db2.gz DQFNBGBCWFUJKU-GHMZBOCLSA-N 1 0 335.364 -1.190 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051782445 672840066 /nfs/dbraw/zinc/84/00/66/672840066.db2.gz DQFNBGBCWFUJKU-MNOVXSKESA-N 1 0 335.364 -1.190 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051782446 672840233 /nfs/dbraw/zinc/84/02/33/672840233.db2.gz DQFNBGBCWFUJKU-QWRGUYRKSA-N 1 0 335.364 -1.190 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051782447 672840195 /nfs/dbraw/zinc/84/01/95/672840195.db2.gz DQFNBGBCWFUJKU-WDEREUQCSA-N 1 0 335.364 -1.190 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCO1 ZINC001051782490 672840014 /nfs/dbraw/zinc/84/00/14/672840014.db2.gz FNKLVSKZZKJLEL-CHWSQXEVSA-N 1 0 336.396 -1.247 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCO1 ZINC001051782491 672840180 /nfs/dbraw/zinc/84/01/80/672840180.db2.gz FNKLVSKZZKJLEL-QWHCGFSZSA-N 1 0 336.396 -1.247 20 0 EAADRO O=C(Cc1cnoc1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051783954 672840441 /nfs/dbraw/zinc/84/04/41/672840441.db2.gz NMHOOCHBPPARMS-NEPJUHHUSA-N 1 0 336.348 -1.161 20 0 EAADRO O=C(Cc1cnoc1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051783956 672840789 /nfs/dbraw/zinc/84/07/89/672840789.db2.gz NMHOOCHBPPARMS-NWDGAFQWSA-N 1 0 336.348 -1.161 20 0 EAADRO O=C(Cc1cnoc1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051783958 672840594 /nfs/dbraw/zinc/84/05/94/672840594.db2.gz NMHOOCHBPPARMS-RYUDHWBXSA-N 1 0 336.348 -1.161 20 0 EAADRO O=C(Cc1cnoc1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051783960 672840687 /nfs/dbraw/zinc/84/06/87/672840687.db2.gz NMHOOCHBPPARMS-VXGBXAGGSA-N 1 0 336.348 -1.161 20 0 EAADRO Cc1ncc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1C ZINC001051787902 672840421 /nfs/dbraw/zinc/84/04/21/672840421.db2.gz YYDIVYMHTAFHEC-NEPJUHHUSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1ncc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1C ZINC001051787904 672841046 /nfs/dbraw/zinc/84/10/46/672841046.db2.gz YYDIVYMHTAFHEC-NWDGAFQWSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1ncc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1C ZINC001051787905 672841378 /nfs/dbraw/zinc/84/13/78/672841378.db2.gz YYDIVYMHTAFHEC-RYUDHWBXSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1ncc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1C ZINC001051787908 672841137 /nfs/dbraw/zinc/84/11/37/672841137.db2.gz YYDIVYMHTAFHEC-VXGBXAGGSA-N 1 0 349.391 -1.036 20 0 EAADRO Cn1cc(OCC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001051788101 672841022 /nfs/dbraw/zinc/84/10/22/672841022.db2.gz BMUGSBWPQNHTKK-AAEUAGOBSA-N 1 0 337.380 -1.496 20 0 EAADRO Cn1cc(OCC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001051788102 672841296 /nfs/dbraw/zinc/84/12/96/672841296.db2.gz BMUGSBWPQNHTKK-DGCLKSJQSA-N 1 0 337.380 -1.496 20 0 EAADRO Cn1cc(OCC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001051788103 672841410 /nfs/dbraw/zinc/84/14/10/672841410.db2.gz BMUGSBWPQNHTKK-WCQYABFASA-N 1 0 337.380 -1.496 20 0 EAADRO Cn1cc(OCC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001051788104 672840972 /nfs/dbraw/zinc/84/09/72/672840972.db2.gz BMUGSBWPQNHTKK-YPMHNXCESA-N 1 0 337.380 -1.496 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051788281 672841184 /nfs/dbraw/zinc/84/11/84/672841184.db2.gz DQSCXOFNOMIAPV-GHMZBOCLSA-N 1 0 335.364 -1.521 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051788282 672841279 /nfs/dbraw/zinc/84/12/79/672841279.db2.gz DQSCXOFNOMIAPV-MNOVXSKESA-N 1 0 335.364 -1.521 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051788283 672841422 /nfs/dbraw/zinc/84/14/22/672841422.db2.gz DQSCXOFNOMIAPV-QWRGUYRKSA-N 1 0 335.364 -1.521 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051788284 672841004 /nfs/dbraw/zinc/84/10/04/672841004.db2.gz DQSCXOFNOMIAPV-WDEREUQCSA-N 1 0 335.364 -1.521 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051788426 672841345 /nfs/dbraw/zinc/84/13/45/672841345.db2.gz GWVDGHHZVIIAJG-NXEZZACHSA-N 1 0 349.347 -1.994 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051788428 672841209 /nfs/dbraw/zinc/84/12/09/672841209.db2.gz GWVDGHHZVIIAJG-UWVGGRQHSA-N 1 0 349.347 -1.994 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051788430 672841339 /nfs/dbraw/zinc/84/13/39/672841339.db2.gz GWVDGHHZVIIAJG-VHSXEESVSA-N 1 0 349.347 -1.994 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051788432 672841247 /nfs/dbraw/zinc/84/12/47/672841247.db2.gz GWVDGHHZVIIAJG-ZJUUUORDSA-N 1 0 349.347 -1.994 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051788498 672841073 /nfs/dbraw/zinc/84/10/73/672841073.db2.gz HNCYFVJWQIZGKX-NEPJUHHUSA-N 1 0 349.391 -1.179 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051788499 672841128 /nfs/dbraw/zinc/84/11/28/672841128.db2.gz HNCYFVJWQIZGKX-NWDGAFQWSA-N 1 0 349.391 -1.179 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051788500 672841225 /nfs/dbraw/zinc/84/12/25/672841225.db2.gz HNCYFVJWQIZGKX-RYUDHWBXSA-N 1 0 349.391 -1.179 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051788501 672841436 /nfs/dbraw/zinc/84/14/36/672841436.db2.gz HNCYFVJWQIZGKX-VXGBXAGGSA-N 1 0 349.391 -1.179 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001051789078 672841320 /nfs/dbraw/zinc/84/13/20/672841320.db2.gz LWIHCVNARHPWCV-LLVKDONJSA-N 1 0 333.352 -1.471 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001051789081 672841304 /nfs/dbraw/zinc/84/13/04/672841304.db2.gz LWIHCVNARHPWCV-NSHDSACASA-N 1 0 333.352 -1.471 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789333 672841359 /nfs/dbraw/zinc/84/13/59/672841359.db2.gz ORMJBIBHVNZICK-GHMZBOCLSA-N 1 0 335.364 -1.569 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789337 672841447 /nfs/dbraw/zinc/84/14/47/672841447.db2.gz ORMJBIBHVNZICK-MNOVXSKESA-N 1 0 335.364 -1.569 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789341 672841239 /nfs/dbraw/zinc/84/12/39/672841239.db2.gz ORMJBIBHVNZICK-QWRGUYRKSA-N 1 0 335.364 -1.569 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789342 672841053 /nfs/dbraw/zinc/84/10/53/672841053.db2.gz ORMJBIBHVNZICK-WDEREUQCSA-N 1 0 335.364 -1.569 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789597 672841877 /nfs/dbraw/zinc/84/18/77/672841877.db2.gz SXGHDKKOJMXFIY-NEPJUHHUSA-N 1 0 349.391 -1.179 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789598 672841922 /nfs/dbraw/zinc/84/19/22/672841922.db2.gz SXGHDKKOJMXFIY-NWDGAFQWSA-N 1 0 349.391 -1.179 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789599 672841864 /nfs/dbraw/zinc/84/18/64/672841864.db2.gz SXGHDKKOJMXFIY-RYUDHWBXSA-N 1 0 349.391 -1.179 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1=O ZINC001051789600 672841670 /nfs/dbraw/zinc/84/16/70/672841670.db2.gz SXGHDKKOJMXFIY-VXGBXAGGSA-N 1 0 349.391 -1.179 20 0 EAADRO Cn1cc(OCC(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)cn1 ZINC001051790249 672841751 /nfs/dbraw/zinc/84/17/51/672841751.db2.gz YUFOKFFQNRGXDZ-CYBMUJFWSA-N 1 0 349.395 -1.055 20 0 EAADRO Cn1cc(OCC(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)cn1 ZINC001051790251 672841887 /nfs/dbraw/zinc/84/18/87/672841887.db2.gz YUFOKFFQNRGXDZ-ZDUSSCGKSA-N 1 0 349.395 -1.055 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051791661 672841659 /nfs/dbraw/zinc/84/16/59/672841659.db2.gz DHCMWPFJWYEVIH-PSASIEDQSA-N 1 0 326.382 -1.464 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051791668 672842065 /nfs/dbraw/zinc/84/20/65/672842065.db2.gz DHCMWPFJWYEVIH-SCZZXKLOSA-N 1 0 326.382 -1.464 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051791670 672841834 /nfs/dbraw/zinc/84/18/34/672841834.db2.gz DHCMWPFJWYEVIH-WCBMZHEXSA-N 1 0 326.382 -1.464 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051791673 672841724 /nfs/dbraw/zinc/84/17/24/672841724.db2.gz DHCMWPFJWYEVIH-WPRPVWTQSA-N 1 0 326.382 -1.464 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051791892 672842047 /nfs/dbraw/zinc/84/20/47/672842047.db2.gz GOEDPGFTABSWPJ-NEPJUHHUSA-N 1 0 337.384 -1.704 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051791893 672841618 /nfs/dbraw/zinc/84/16/18/672841618.db2.gz GOEDPGFTABSWPJ-NWDGAFQWSA-N 1 0 337.384 -1.704 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051791894 672841607 /nfs/dbraw/zinc/84/16/07/672841607.db2.gz GOEDPGFTABSWPJ-RYUDHWBXSA-N 1 0 337.384 -1.704 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051791895 672841758 /nfs/dbraw/zinc/84/17/58/672841758.db2.gz GOEDPGFTABSWPJ-VXGBXAGGSA-N 1 0 337.384 -1.704 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)nn1C ZINC001051792090 672841824 /nfs/dbraw/zinc/84/18/24/672841824.db2.gz HYJFNZDXPJRAAJ-CHWSQXEVSA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)nn1C ZINC001051792093 672841976 /nfs/dbraw/zinc/84/19/76/672841976.db2.gz HYJFNZDXPJRAAJ-OLZOCXBDSA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)nn1C ZINC001051792095 672841785 /nfs/dbraw/zinc/84/17/85/672841785.db2.gz HYJFNZDXPJRAAJ-QWHCGFSZSA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)nn1C ZINC001051792097 672841851 /nfs/dbraw/zinc/84/18/51/672841851.db2.gz HYJFNZDXPJRAAJ-STQMWFEESA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)ncn1 ZINC001051792111 672842070 /nfs/dbraw/zinc/84/20/70/672842070.db2.gz IFTHGGWYYFSRRM-CHWSQXEVSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)ncn1 ZINC001051792113 672841599 /nfs/dbraw/zinc/84/15/99/672841599.db2.gz IFTHGGWYYFSRRM-OLZOCXBDSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)ncn1 ZINC001051792115 672841733 /nfs/dbraw/zinc/84/17/33/672841733.db2.gz IFTHGGWYYFSRRM-QWHCGFSZSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)ncn1 ZINC001051792117 672841858 /nfs/dbraw/zinc/84/18/58/672841858.db2.gz IFTHGGWYYFSRRM-STQMWFEESA-N 1 0 334.380 -1.217 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)cc1=O ZINC001051792198 672842058 /nfs/dbraw/zinc/84/20/58/672842058.db2.gz IWXQOSDYBNSERG-CHWSQXEVSA-N 1 0 349.391 -1.616 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)cc1=O ZINC001051792200 672841777 /nfs/dbraw/zinc/84/17/77/672841777.db2.gz IWXQOSDYBNSERG-OLZOCXBDSA-N 1 0 349.391 -1.616 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)cc1=O ZINC001051792202 672841971 /nfs/dbraw/zinc/84/19/71/672841971.db2.gz IWXQOSDYBNSERG-QWHCGFSZSA-N 1 0 349.391 -1.616 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)cc1=O ZINC001051792205 672841781 /nfs/dbraw/zinc/84/17/81/672841781.db2.gz IWXQOSDYBNSERG-STQMWFEESA-N 1 0 349.391 -1.616 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051792745 672842371 /nfs/dbraw/zinc/84/23/71/672842371.db2.gz PHDIAAMAWVVDNS-AAEUAGOBSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051792746 672842547 /nfs/dbraw/zinc/84/25/47/672842547.db2.gz PHDIAAMAWVVDNS-DGCLKSJQSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051792747 672842323 /nfs/dbraw/zinc/84/23/23/672842323.db2.gz PHDIAAMAWVVDNS-WCQYABFASA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051792748 672842355 /nfs/dbraw/zinc/84/23/55/672842355.db2.gz PHDIAAMAWVVDNS-YPMHNXCESA-N 1 0 334.380 -1.217 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051792749 672842577 /nfs/dbraw/zinc/84/25/77/672842577.db2.gz PHWAOWODUYYLRI-CHWSQXEVSA-N 1 0 326.397 -1.089 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051792750 672842322 /nfs/dbraw/zinc/84/23/22/672842322.db2.gz PHWAOWODUYYLRI-OLZOCXBDSA-N 1 0 326.397 -1.089 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001051792751 672842462 /nfs/dbraw/zinc/84/24/62/672842462.db2.gz PHWAOWODUYYLRI-QWHCGFSZSA-N 1 0 326.397 -1.089 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001051792753 672842297 /nfs/dbraw/zinc/84/22/97/672842297.db2.gz PHWAOWODUYYLRI-STQMWFEESA-N 1 0 326.397 -1.089 20 0 EAADRO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793147 672842362 /nfs/dbraw/zinc/84/23/62/672842362.db2.gz SNHNNWHTRJCNCW-CHWSQXEVSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793149 672842314 /nfs/dbraw/zinc/84/23/14/672842314.db2.gz SNHNNWHTRJCNCW-OLZOCXBDSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793150 672842411 /nfs/dbraw/zinc/84/24/11/672842411.db2.gz SNHNNWHTRJCNCW-QWHCGFSZSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793152 672842504 /nfs/dbraw/zinc/84/25/04/672842504.db2.gz SNHNNWHTRJCNCW-STQMWFEESA-N 1 0 334.380 -1.217 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051793292 672842526 /nfs/dbraw/zinc/84/25/26/672842526.db2.gz UOPLGUSDYKUPOM-KBPBESRZSA-N 1 0 348.407 -1.172 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051793295 672842404 /nfs/dbraw/zinc/84/24/04/672842404.db2.gz UOPLGUSDYKUPOM-KGLIPLIRSA-N 1 0 348.407 -1.172 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051793299 672842304 /nfs/dbraw/zinc/84/23/04/672842304.db2.gz UOPLGUSDYKUPOM-UONOGXRCSA-N 1 0 348.407 -1.172 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001051793303 672842536 /nfs/dbraw/zinc/84/25/36/672842536.db2.gz UOPLGUSDYKUPOM-ZIAGYGMSSA-N 1 0 348.407 -1.172 20 0 EAADRO CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)n1 ZINC001051793306 672842325 /nfs/dbraw/zinc/84/23/25/672842325.db2.gz UQDVYDIFRZYBNY-CHWSQXEVSA-N 1 0 336.396 -1.099 20 0 EAADRO CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)n1 ZINC001051793309 672842451 /nfs/dbraw/zinc/84/24/51/672842451.db2.gz UQDVYDIFRZYBNY-OLZOCXBDSA-N 1 0 336.396 -1.099 20 0 EAADRO CCn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)n1 ZINC001051793314 672842408 /nfs/dbraw/zinc/84/24/08/672842408.db2.gz UQDVYDIFRZYBNY-QWHCGFSZSA-N 1 0 336.396 -1.099 20 0 EAADRO CCn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)n1 ZINC001051793317 672842308 /nfs/dbraw/zinc/84/23/08/672842308.db2.gz UQDVYDIFRZYBNY-STQMWFEESA-N 1 0 336.396 -1.099 20 0 EAADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051793460 672842422 /nfs/dbraw/zinc/84/24/22/672842422.db2.gz AXMSCALXOBBXAB-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051793461 672842300 /nfs/dbraw/zinc/84/23/00/672842300.db2.gz AXMSCALXOBBXAB-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051793462 672842583 /nfs/dbraw/zinc/84/25/83/672842583.db2.gz AXMSCALXOBBXAB-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051793464 672842467 /nfs/dbraw/zinc/84/24/67/672842467.db2.gz AXMSCALXOBBXAB-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001051793543 672842515 /nfs/dbraw/zinc/84/25/15/672842515.db2.gz BPVXWNHBADXABP-LLVKDONJSA-N 1 0 335.364 -1.138 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001051793546 672842628 /nfs/dbraw/zinc/84/26/28/672842628.db2.gz BPVXWNHBADXABP-NSHDSACASA-N 1 0 335.364 -1.138 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051793671 672842415 /nfs/dbraw/zinc/84/24/15/672842415.db2.gz WAORXOICJSTYDU-CHWSQXEVSA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051793673 672842286 /nfs/dbraw/zinc/84/22/86/672842286.db2.gz WAORXOICJSTYDU-OLZOCXBDSA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051793675 672842349 /nfs/dbraw/zinc/84/23/49/672842349.db2.gz WAORXOICJSTYDU-QWHCGFSZSA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051793677 672842377 /nfs/dbraw/zinc/84/23/77/672842377.db2.gz WAORXOICJSTYDU-STQMWFEESA-N 1 0 336.396 -1.273 20 0 EAADRO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793721 672842385 /nfs/dbraw/zinc/84/23/85/672842385.db2.gz WMIVZYJKWRDVFH-CHWSQXEVSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793723 672842787 /nfs/dbraw/zinc/84/27/87/672842787.db2.gz WMIVZYJKWRDVFH-OLZOCXBDSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793725 672842914 /nfs/dbraw/zinc/84/29/14/672842914.db2.gz WMIVZYJKWRDVFH-QWHCGFSZSA-N 1 0 334.380 -1.217 20 0 EAADRO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)cn1 ZINC001051793728 672842975 /nfs/dbraw/zinc/84/29/75/672842975.db2.gz WMIVZYJKWRDVFH-STQMWFEESA-N 1 0 334.380 -1.217 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)c1 ZINC001051794001 672843103 /nfs/dbraw/zinc/84/31/03/672843103.db2.gz FTNCATVZKTZBEY-CYBMUJFWSA-N 1 0 334.376 -1.152 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)c1 ZINC001051794004 672843064 /nfs/dbraw/zinc/84/30/64/672843064.db2.gz FTNCATVZKTZBEY-ZDUSSCGKSA-N 1 0 334.376 -1.152 20 0 EAADRO CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051794026 672842968 /nfs/dbraw/zinc/84/29/68/672842968.db2.gz ZCTBBDVBOICDRE-NEPJUHHUSA-N 1 0 336.396 -1.099 20 0 EAADRO CCn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051794027 672843141 /nfs/dbraw/zinc/84/31/41/672843141.db2.gz ZCTBBDVBOICDRE-NWDGAFQWSA-N 1 0 336.396 -1.099 20 0 EAADRO CCn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051794029 672842800 /nfs/dbraw/zinc/84/28/00/672842800.db2.gz ZCTBBDVBOICDRE-RYUDHWBXSA-N 1 0 336.396 -1.099 20 0 EAADRO CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051794031 672843010 /nfs/dbraw/zinc/84/30/10/672843010.db2.gz ZCTBBDVBOICDRE-VXGBXAGGSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051794053 672842994 /nfs/dbraw/zinc/84/29/94/672842994.db2.gz ZMNVSIKQOPYBHK-NXEZZACHSA-N 1 0 340.409 -1.155 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051794055 672842791 /nfs/dbraw/zinc/84/27/91/672842791.db2.gz ZMNVSIKQOPYBHK-UWVGGRQHSA-N 1 0 340.409 -1.155 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051794057 672843074 /nfs/dbraw/zinc/84/30/74/672843074.db2.gz ZMNVSIKQOPYBHK-VHSXEESVSA-N 1 0 340.409 -1.155 20 0 EAADRO Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051794060 672842851 /nfs/dbraw/zinc/84/28/51/672842851.db2.gz ZMNVSIKQOPYBHK-ZJUUUORDSA-N 1 0 340.409 -1.155 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001051794275 672843049 /nfs/dbraw/zinc/84/30/49/672843049.db2.gz JJQPFASFYBZRHZ-GHMZBOCLSA-N 1 0 348.425 -2.430 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001051794276 672842908 /nfs/dbraw/zinc/84/29/08/672842908.db2.gz JJQPFASFYBZRHZ-MNOVXSKESA-N 1 0 348.425 -2.430 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001051794277 672842953 /nfs/dbraw/zinc/84/29/53/672842953.db2.gz JJQPFASFYBZRHZ-QWRGUYRKSA-N 1 0 348.425 -2.430 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001051794278 672842781 /nfs/dbraw/zinc/84/27/81/672842781.db2.gz JJQPFASFYBZRHZ-WDEREUQCSA-N 1 0 348.425 -2.430 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001051794351 672842948 /nfs/dbraw/zinc/84/29/48/672842948.db2.gz KUJKDTZXDYHKQI-GHMZBOCLSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001051794352 672842810 /nfs/dbraw/zinc/84/28/10/672842810.db2.gz KUJKDTZXDYHKQI-MNOVXSKESA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001051794353 672843008 /nfs/dbraw/zinc/84/30/08/672843008.db2.gz KUJKDTZXDYHKQI-QWRGUYRKSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001051794354 672843098 /nfs/dbraw/zinc/84/30/98/672843098.db2.gz KUJKDTZXDYHKQI-WDEREUQCSA-N 1 0 333.410 -1.887 20 0 EAADRO Cn1c2cc(C[NH2+]C[C@@H]3CN(C(=O)C(N)=O)CCO3)ccc2oc1=O ZINC001051794407 672842900 /nfs/dbraw/zinc/84/29/00/672842900.db2.gz MOIJZMKQZARBTR-LLVKDONJSA-N 1 0 348.359 -1.066 20 0 EAADRO Cn1c2cc(C[NH2+]C[C@H]3CN(C(=O)C(N)=O)CCO3)ccc2oc1=O ZINC001051794408 672842859 /nfs/dbraw/zinc/84/28/59/672842859.db2.gz MOIJZMKQZARBTR-NSHDSACASA-N 1 0 348.359 -1.066 20 0 EAADRO CNC(=O)c1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1 ZINC001051794610 672843155 /nfs/dbraw/zinc/84/31/55/672843155.db2.gz PQLPKRDKYVJECX-CYBMUJFWSA-N 1 0 334.376 -1.152 20 0 EAADRO CNC(=O)c1ccc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)cc1 ZINC001051794611 672843042 /nfs/dbraw/zinc/84/30/42/672843042.db2.gz PQLPKRDKYVJECX-ZDUSSCGKSA-N 1 0 334.376 -1.152 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001051794656 672843083 /nfs/dbraw/zinc/84/30/83/672843083.db2.gz QTXYTNGJGBYMJA-LLVKDONJSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001051794657 672843543 /nfs/dbraw/zinc/84/35/43/672843543.db2.gz QTXYTNGJGBYMJA-NSHDSACASA-N 1 0 333.410 -1.887 20 0 EAADRO Cn1cc(-c2cc(C[NH2+]C[C@@H]3CN(C(=O)C(N)=O)CCO3)on2)cn1 ZINC001051795007 672843472 /nfs/dbraw/zinc/84/34/72/672843472.db2.gz YBTRJZJTEOUHCQ-GFCCVEGCSA-N 1 0 348.363 -1.123 20 0 EAADRO Cn1cc(-c2cc(C[NH2+]C[C@H]3CN(C(=O)C(N)=O)CCO3)on2)cn1 ZINC001051795008 672843524 /nfs/dbraw/zinc/84/35/24/672843524.db2.gz YBTRJZJTEOUHCQ-LBPRGKRZSA-N 1 0 348.363 -1.123 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1=O ZINC001051795021 672843368 /nfs/dbraw/zinc/84/33/68/672843368.db2.gz YHVPQHSHGURAGD-CYBMUJFWSA-N 1 0 348.403 -1.032 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1=O ZINC001051795022 672843392 /nfs/dbraw/zinc/84/33/92/672843392.db2.gz YHVPQHSHGURAGD-ZDUSSCGKSA-N 1 0 348.403 -1.032 20 0 EAADRO Cn1nnc2cc(C[NH2+]C[C@@H]3CN(C(=O)C(N)=O)CCO3)ccc21 ZINC001051795187 672843621 /nfs/dbraw/zinc/84/36/21/672843621.db2.gz BWOLUKMGEBRBLA-LLVKDONJSA-N 1 0 332.364 -1.229 20 0 EAADRO Cn1nnc2cc(C[NH2+]C[C@H]3CN(C(=O)C(N)=O)CCO3)ccc21 ZINC001051795188 672843397 /nfs/dbraw/zinc/84/33/97/672843397.db2.gz BWOLUKMGEBRBLA-NSHDSACASA-N 1 0 332.364 -1.229 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)CC1 ZINC001051797580 672843614 /nfs/dbraw/zinc/84/36/14/672843614.db2.gz BTZFZFADYHENGP-NEPJUHHUSA-N 1 0 348.407 -1.152 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001051797581 672843507 /nfs/dbraw/zinc/84/35/07/672843507.db2.gz BTZFZFADYHENGP-NWDGAFQWSA-N 1 0 348.407 -1.152 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001051797582 672843334 /nfs/dbraw/zinc/84/33/34/672843334.db2.gz BTZFZFADYHENGP-RYUDHWBXSA-N 1 0 348.407 -1.152 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)CC1 ZINC001051797583 672843569 /nfs/dbraw/zinc/84/35/69/672843569.db2.gz BTZFZFADYHENGP-VXGBXAGGSA-N 1 0 348.407 -1.152 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051797705 672843511 /nfs/dbraw/zinc/84/35/11/672843511.db2.gz DNBBSPCSNJWFLK-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051797707 672843500 /nfs/dbraw/zinc/84/35/00/672843500.db2.gz DNBBSPCSNJWFLK-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051797709 672843336 /nfs/dbraw/zinc/84/33/36/672843336.db2.gz DNBBSPCSNJWFLK-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051797711 672843639 /nfs/dbraw/zinc/84/36/39/672843639.db2.gz DNBBSPCSNJWFLK-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO COc1coc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)cc1=O ZINC001051797786 672843616 /nfs/dbraw/zinc/84/36/16/672843616.db2.gz FOSKRMPBDKTBJJ-JTQLQIEISA-N 1 0 325.321 -1.549 20 0 EAADRO COc1coc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1=O ZINC001051797787 672843349 /nfs/dbraw/zinc/84/33/49/672843349.db2.gz FOSKRMPBDKTBJJ-SNVBAGLBSA-N 1 0 325.321 -1.549 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001051798298 672844101 /nfs/dbraw/zinc/84/41/01/672844101.db2.gz JRFNTVWFRJHGTN-NXEZZACHSA-N 1 0 338.364 -2.126 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001051798301 672843752 /nfs/dbraw/zinc/84/37/52/672843752.db2.gz JRFNTVWFRJHGTN-UWVGGRQHSA-N 1 0 338.364 -2.126 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001051798303 672843936 /nfs/dbraw/zinc/84/39/36/672843936.db2.gz JRFNTVWFRJHGTN-VHSXEESVSA-N 1 0 338.364 -2.126 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001051798305 672843826 /nfs/dbraw/zinc/84/38/26/672843826.db2.gz JRFNTVWFRJHGTN-ZJUUUORDSA-N 1 0 338.364 -2.126 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051798744 672844214 /nfs/dbraw/zinc/84/42/14/672844214.db2.gz NYHIYDHXAOHDME-GFCCVEGCSA-N 1 0 336.396 -1.120 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051798745 672844237 /nfs/dbraw/zinc/84/42/37/672844237.db2.gz NYHIYDHXAOHDME-LBPRGKRZSA-N 1 0 336.396 -1.120 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051799910 672844149 /nfs/dbraw/zinc/84/41/49/672844149.db2.gz XPCUEIMWAIVCRR-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051799911 672844022 /nfs/dbraw/zinc/84/40/22/672844022.db2.gz XPCUEIMWAIVCRR-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051799912 672843960 /nfs/dbraw/zinc/84/39/60/672843960.db2.gz XPCUEIMWAIVCRR-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)C1=O ZINC001051799913 672844247 /nfs/dbraw/zinc/84/42/47/672844247.db2.gz XPCUEIMWAIVCRR-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO Cn1c(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)cc(=O)n(C)c1=O ZINC001051799960 672844211 /nfs/dbraw/zinc/84/42/11/672844211.db2.gz YRHXSZXRFCLLLP-JTQLQIEISA-N 1 0 339.352 -3.114 20 0 EAADRO Cn1c(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)cc(=O)n(C)c1=O ZINC001051799961 672843834 /nfs/dbraw/zinc/84/38/34/672843834.db2.gz YRHXSZXRFCLLLP-SNVBAGLBSA-N 1 0 339.352 -3.114 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)n1 ZINC001051800960 672844216 /nfs/dbraw/zinc/84/42/16/672844216.db2.gz HWROIDVYZKPMHK-CYBMUJFWSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)n1 ZINC001051800961 672843985 /nfs/dbraw/zinc/84/39/85/672843985.db2.gz HWROIDVYZKPMHK-ZDUSSCGKSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051801875 672843759 /nfs/dbraw/zinc/84/37/59/672843759.db2.gz QKECECMQTUFGOM-CYBMUJFWSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051801877 672843910 /nfs/dbraw/zinc/84/39/10/672843910.db2.gz QKECECMQTUFGOM-ZDUSSCGKSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)[nH]c1=O ZINC001051802276 672843885 /nfs/dbraw/zinc/84/38/85/672843885.db2.gz BMCSKNQQSPJDMP-LLVKDONJSA-N 1 0 335.368 -1.115 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)[nH]c1=O ZINC001051802277 672844174 /nfs/dbraw/zinc/84/41/74/672844174.db2.gz BMCSKNQQSPJDMP-NSHDSACASA-N 1 0 335.368 -1.115 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)[nH]c1=O ZINC001051803292 672843843 /nfs/dbraw/zinc/84/38/43/672843843.db2.gz LEXAWCAKYBOJBW-GHMZBOCLSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)[nH]c1=O ZINC001051803293 672843871 /nfs/dbraw/zinc/84/38/71/672843871.db2.gz LEXAWCAKYBOJBW-MNOVXSKESA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)[nH]c1=O ZINC001051803294 672844189 /nfs/dbraw/zinc/84/41/89/672844189.db2.gz LEXAWCAKYBOJBW-QWRGUYRKSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)[nH]c1=O ZINC001051803295 672844206 /nfs/dbraw/zinc/84/42/06/672844206.db2.gz LEXAWCAKYBOJBW-WDEREUQCSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)[nH]c1=O ZINC001051805309 672844688 /nfs/dbraw/zinc/84/46/88/672844688.db2.gz QKKWUVRNZWTDOW-GHMZBOCLSA-N 1 0 337.380 -1.213 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)[nH]c1=O ZINC001051805310 672844770 /nfs/dbraw/zinc/84/47/70/672844770.db2.gz QKKWUVRNZWTDOW-MNOVXSKESA-N 1 0 337.380 -1.213 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)[nH]c1=O ZINC001051805311 672844907 /nfs/dbraw/zinc/84/49/07/672844907.db2.gz QKKWUVRNZWTDOW-QWRGUYRKSA-N 1 0 337.380 -1.213 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)[nH]c1=O ZINC001051805312 672844807 /nfs/dbraw/zinc/84/48/07/672844807.db2.gz QKKWUVRNZWTDOW-WDEREUQCSA-N 1 0 337.380 -1.213 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCO1 ZINC001051812331 672845315 /nfs/dbraw/zinc/84/53/15/672845315.db2.gz UEXCMEFHMJKJEM-DOMZBBRYSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCO1 ZINC001051812332 672845399 /nfs/dbraw/zinc/84/53/99/672845399.db2.gz UEXCMEFHMJKJEM-WFASDCNBSA-N 1 0 336.396 -1.199 20 0 EAADRO O=C(c1n[nH]cc1F)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051812590 672845238 /nfs/dbraw/zinc/84/52/38/672845238.db2.gz YAKDKFLFHXCHEZ-PSASIEDQSA-N 1 0 339.327 -1.215 20 0 EAADRO O=C(c1n[nH]cc1F)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051812591 672845116 /nfs/dbraw/zinc/84/51/16/672845116.db2.gz YAKDKFLFHXCHEZ-SCZZXKLOSA-N 1 0 339.327 -1.215 20 0 EAADRO O=C(c1n[nH]cc1F)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051812592 672845264 /nfs/dbraw/zinc/84/52/64/672845264.db2.gz YAKDKFLFHXCHEZ-WCBMZHEXSA-N 1 0 339.327 -1.215 20 0 EAADRO O=C(c1n[nH]cc1F)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051812593 672845392 /nfs/dbraw/zinc/84/53/92/672845392.db2.gz YAKDKFLFHXCHEZ-WPRPVWTQSA-N 1 0 339.327 -1.215 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051817800 672845309 /nfs/dbraw/zinc/84/53/09/672845309.db2.gz BOOVWELZUQDWMS-NEPJUHHUSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051817803 672845412 /nfs/dbraw/zinc/84/54/12/672845412.db2.gz BOOVWELZUQDWMS-NWDGAFQWSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051817805 672845126 /nfs/dbraw/zinc/84/51/26/672845126.db2.gz BOOVWELZUQDWMS-RYUDHWBXSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051817809 672845280 /nfs/dbraw/zinc/84/52/80/672845280.db2.gz BOOVWELZUQDWMS-VXGBXAGGSA-N 1 0 334.376 -1.296 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051820353 672845078 /nfs/dbraw/zinc/84/50/78/672845078.db2.gz ZQNGCRNLVTUTDX-JTQLQIEISA-N 1 0 343.409 -1.102 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051820354 672845185 /nfs/dbraw/zinc/84/51/85/672845185.db2.gz ZQNGCRNLVTUTDX-SNVBAGLBSA-N 1 0 343.409 -1.102 20 0 EAADRO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCO1 ZINC001051820365 672845452 /nfs/dbraw/zinc/84/54/52/672845452.db2.gz ZVZPCDAPPGONRX-SECBINFHSA-N 1 0 331.398 -1.104 20 0 EAADRO CC(C)[NH2+]C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCO1 ZINC001051820366 672845063 /nfs/dbraw/zinc/84/50/63/672845063.db2.gz ZVZPCDAPPGONRX-VIFPVBQESA-N 1 0 331.398 -1.104 20 0 EAADRO NC(=O)c1coc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051820835 672845191 /nfs/dbraw/zinc/84/51/91/672845191.db2.gz JJTXEWBTMKORAA-GHMZBOCLSA-N 1 0 336.348 -1.302 20 0 EAADRO NC(=O)c1coc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051820836 672845811 /nfs/dbraw/zinc/84/58/11/672845811.db2.gz JJTXEWBTMKORAA-MNOVXSKESA-N 1 0 336.348 -1.302 20 0 EAADRO NC(=O)c1coc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051820837 672845991 /nfs/dbraw/zinc/84/59/91/672845991.db2.gz JJTXEWBTMKORAA-QWRGUYRKSA-N 1 0 336.348 -1.302 20 0 EAADRO NC(=O)c1coc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051820838 672846003 /nfs/dbraw/zinc/84/60/03/672846003.db2.gz JJTXEWBTMKORAA-WDEREUQCSA-N 1 0 336.348 -1.302 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001051822006 672845961 /nfs/dbraw/zinc/84/59/61/672845961.db2.gz HHECZAVKCYNWOF-DOMZBBRYSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001051822007 672845932 /nfs/dbraw/zinc/84/59/32/672845932.db2.gz HHECZAVKCYNWOF-IUODEOHRSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001051822008 672846063 /nfs/dbraw/zinc/84/60/63/672846063.db2.gz HHECZAVKCYNWOF-SWLSCSKDSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001051822009 672845890 /nfs/dbraw/zinc/84/58/90/672845890.db2.gz HHECZAVKCYNWOF-WFASDCNBSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNCc3nnnn3C)C2)C1 ZINC001051825175 672846566 /nfs/dbraw/zinc/84/65/66/672846566.db2.gz RMGHJYSIOYOANZ-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNCc3nnnn3C)C2)C1 ZINC001051825177 672846204 /nfs/dbraw/zinc/84/62/04/672846204.db2.gz RMGHJYSIOYOANZ-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNCc3nnnn3C)C2)C1 ZINC001051825179 672846505 /nfs/dbraw/zinc/84/65/05/672846505.db2.gz RMGHJYSIOYOANZ-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNCc3nnnn3C)C2)C1 ZINC001051825181 672846326 /nfs/dbraw/zinc/84/63/26/672846326.db2.gz RMGHJYSIOYOANZ-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNCc3nnn(C)n3)C2)C1 ZINC001051826188 672846704 /nfs/dbraw/zinc/84/67/04/672846704.db2.gz YDORWVBCHYTJFK-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNCc3nnn(C)n3)C2)C1 ZINC001051826189 672846258 /nfs/dbraw/zinc/84/62/58/672846258.db2.gz YDORWVBCHYTJFK-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNCc3nnn(C)n3)C2)C1 ZINC001051826190 672846424 /nfs/dbraw/zinc/84/64/24/672846424.db2.gz YDORWVBCHYTJFK-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNCc3nnn(C)n3)C2)C1 ZINC001051826191 672846376 /nfs/dbraw/zinc/84/63/76/672846376.db2.gz YDORWVBCHYTJFK-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051826410 672846478 /nfs/dbraw/zinc/84/64/78/672846478.db2.gz CAVSTYUCFQHKKD-UPJWGTAASA-N 1 0 336.396 -1.264 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051826413 672846186 /nfs/dbraw/zinc/84/61/86/672846186.db2.gz CAVSTYUCFQHKKD-XQQFMLRXSA-N 1 0 336.396 -1.264 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001051826491 672846361 /nfs/dbraw/zinc/84/63/61/672846361.db2.gz CVGZIEQJSRFFFJ-UPJWGTAASA-N 1 0 349.391 -1.076 20 0 EAADRO COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001051826492 672846614 /nfs/dbraw/zinc/84/66/14/672846614.db2.gz CVGZIEQJSRFFFJ-XQQFMLRXSA-N 1 0 349.391 -1.076 20 0 EAADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)nn1 ZINC001051826562 672846276 /nfs/dbraw/zinc/84/62/76/672846276.db2.gz DUIRJJAHTRGLHP-UPJWGTAASA-N 1 0 349.391 -1.076 20 0 EAADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)nn1 ZINC001051826564 672846388 /nfs/dbraw/zinc/84/63/88/672846388.db2.gz DUIRJJAHTRGLHP-XQQFMLRXSA-N 1 0 349.391 -1.076 20 0 EAADRO COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001051827288 672846840 /nfs/dbraw/zinc/84/68/40/672846840.db2.gz KHNBCOSSWDXTAD-UPJWGTAASA-N 1 0 349.391 -1.076 20 0 EAADRO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001051827289 672847311 /nfs/dbraw/zinc/84/73/11/672847311.db2.gz KHNBCOSSWDXTAD-XQQFMLRXSA-N 1 0 349.391 -1.076 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051827562 672847142 /nfs/dbraw/zinc/84/71/42/672847142.db2.gz NVVQNQIZWACJIR-GDPRMGEGSA-N 1 0 325.394 -1.024 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051827563 672846886 /nfs/dbraw/zinc/84/68/86/672846886.db2.gz NVVQNQIZWACJIR-IEBDPFPHSA-N 1 0 325.394 -1.024 20 0 EAADRO Cc1ccn(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051828966 672846933 /nfs/dbraw/zinc/84/69/33/672846933.db2.gz PULWJSNYMOZSCJ-CHWSQXEVSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1ccn(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051828967 672847108 /nfs/dbraw/zinc/84/71/08/672847108.db2.gz PULWJSNYMOZSCJ-OLZOCXBDSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1ccn(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051828968 672847031 /nfs/dbraw/zinc/84/70/31/672847031.db2.gz PULWJSNYMOZSCJ-QWHCGFSZSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1ccn(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051828969 672847176 /nfs/dbraw/zinc/84/71/76/672847176.db2.gz PULWJSNYMOZSCJ-STQMWFEESA-N 1 0 349.391 -1.186 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)CCO2)C1=O ZINC001051829760 672847154 /nfs/dbraw/zinc/84/71/54/672847154.db2.gz FYRAZHBAGMDRSQ-CMPLNLGQSA-N 1 0 349.391 -1.225 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)CCO2)C1=O ZINC001051829761 672847235 /nfs/dbraw/zinc/84/72/35/672847235.db2.gz FYRAZHBAGMDRSQ-JQWIXIFHSA-N 1 0 349.391 -1.225 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)CCO2)C1=O ZINC001051829762 672847115 /nfs/dbraw/zinc/84/71/15/672847115.db2.gz FYRAZHBAGMDRSQ-PWSUYJOCSA-N 1 0 349.391 -1.225 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)CCO2)C1=O ZINC001051829763 672847329 /nfs/dbraw/zinc/84/73/29/672847329.db2.gz FYRAZHBAGMDRSQ-ZYHUDNBSSA-N 1 0 349.391 -1.225 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCO1 ZINC001051830012 672846971 /nfs/dbraw/zinc/84/69/71/672846971.db2.gz JTGCAQHXDNLPLA-LLVKDONJSA-N 1 0 347.379 -1.127 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCO1 ZINC001051830013 672847879 /nfs/dbraw/zinc/84/78/79/672847879.db2.gz JTGCAQHXDNLPLA-NSHDSACASA-N 1 0 347.379 -1.127 20 0 EAADRO Cn1ncc(CCC(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001051830518 672848045 /nfs/dbraw/zinc/84/80/45/672848045.db2.gz NQXOVJZYIUTDEF-AWEZNQCLSA-N 1 0 348.411 -1.107 20 0 EAADRO Cn1ncc(CCC(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001051830519 672848316 /nfs/dbraw/zinc/84/83/16/672848316.db2.gz NQXOVJZYIUTDEF-CQSZACIVSA-N 1 0 348.411 -1.107 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)cc1=O ZINC001051830524 672847669 /nfs/dbraw/zinc/84/76/69/672847669.db2.gz NTKJQHDEZIKETM-MCIONIFRSA-N 1 0 348.403 -1.176 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)cc1=O ZINC001051830525 672848295 /nfs/dbraw/zinc/84/82/95/672848295.db2.gz NTKJQHDEZIKETM-MJBXVCDLSA-N 1 0 348.403 -1.176 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)[nH]1 ZINC001051831051 672847783 /nfs/dbraw/zinc/84/77/83/672847783.db2.gz REYFVWFXUZETFT-CMPLNLGQSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)[nH]1 ZINC001051831052 672847585 /nfs/dbraw/zinc/84/75/85/672847585.db2.gz REYFVWFXUZETFT-JQWIXIFHSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)[nH]1 ZINC001051831053 672847740 /nfs/dbraw/zinc/84/77/40/672847740.db2.gz REYFVWFXUZETFT-PWSUYJOCSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)[nH]1 ZINC001051831054 672847774 /nfs/dbraw/zinc/84/77/74/672847774.db2.gz REYFVWFXUZETFT-ZYHUDNBSSA-N 1 0 349.391 -1.177 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051831079 672847917 /nfs/dbraw/zinc/84/79/17/672847917.db2.gz DITHPITWGHBZEP-CHWSQXEVSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051831080 672848059 /nfs/dbraw/zinc/84/80/59/672848059.db2.gz DITHPITWGHBZEP-OLZOCXBDSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051831081 672848261 /nfs/dbraw/zinc/84/82/61/672848261.db2.gz DITHPITWGHBZEP-QWHCGFSZSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051831082 672847695 /nfs/dbraw/zinc/84/76/95/672847695.db2.gz DITHPITWGHBZEP-STQMWFEESA-N 1 0 336.396 -1.167 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCc2cn[nH]n2)CCO1 ZINC001051831515 672848162 /nfs/dbraw/zinc/84/81/62/672848162.db2.gz HUDKQVSWEXDESQ-CYBMUJFWSA-N 1 0 334.384 -1.117 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CCc2cn[nH]n2)CCO1 ZINC001051831516 672847955 /nfs/dbraw/zinc/84/79/55/672847955.db2.gz HUDKQVSWEXDESQ-ZDUSSCGKSA-N 1 0 334.384 -1.117 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3cn[nH]n3)CCO2)C1=O ZINC001051831933 672848104 /nfs/dbraw/zinc/84/81/04/672848104.db2.gz JOACVYBKBWABHC-CHWSQXEVSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3cn[nH]n3)CCO2)C1=O ZINC001051831935 672847633 /nfs/dbraw/zinc/84/76/33/672847633.db2.gz JOACVYBKBWABHC-OLZOCXBDSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CCc3cn[nH]n3)CCO2)C1=O ZINC001051831937 672848088 /nfs/dbraw/zinc/84/80/88/672848088.db2.gz JOACVYBKBWABHC-QWHCGFSZSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CCc3cn[nH]n3)CCO2)C1=O ZINC001051831939 672847622 /nfs/dbraw/zinc/84/76/22/672847622.db2.gz JOACVYBKBWABHC-STQMWFEESA-N 1 0 336.396 -1.215 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@H](CNCc2nnnn2C)C1)[NH+](C)C ZINC001051832123 672848325 /nfs/dbraw/zinc/84/83/25/672848325.db2.gz UJKDFGLZSOFPTR-NEPJUHHUSA-N 1 0 325.417 -1.133 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@@H](CNCc2nnnn2C)C1)[NH+](C)C ZINC001051832126 672847815 /nfs/dbraw/zinc/84/78/15/672847815.db2.gz UJKDFGLZSOFPTR-RYUDHWBXSA-N 1 0 325.417 -1.133 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]1 ZINC001051832677 672847663 /nfs/dbraw/zinc/84/76/63/672847663.db2.gz XBXATCPCZKFCTB-GXSJLCMTSA-N 1 0 335.364 -1.567 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]1 ZINC001051832680 672847689 /nfs/dbraw/zinc/84/76/89/672847689.db2.gz XBXATCPCZKFCTB-KOLCDFICSA-N 1 0 335.364 -1.567 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]1 ZINC001051832681 672847847 /nfs/dbraw/zinc/84/78/47/672847847.db2.gz XBXATCPCZKFCTB-MWLCHTKSSA-N 1 0 335.364 -1.567 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]1 ZINC001051832683 672847657 /nfs/dbraw/zinc/84/76/57/672847657.db2.gz XBXATCPCZKFCTB-ONGXEEELSA-N 1 0 335.364 -1.567 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@H](CNCc2nnn(C)n2)C1)[NH+](C)C ZINC001051832772 672847794 /nfs/dbraw/zinc/84/77/94/672847794.db2.gz YMRYJNLNMDDVGJ-NEPJUHHUSA-N 1 0 325.417 -1.133 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@@H](CNCc2nnn(C)n2)C1)[NH+](C)C ZINC001051832774 672848155 /nfs/dbraw/zinc/84/81/55/672848155.db2.gz YMRYJNLNMDDVGJ-RYUDHWBXSA-N 1 0 325.417 -1.133 20 0 EAADRO Cn1ncc(CCC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051832897 672848214 /nfs/dbraw/zinc/84/82/14/672848214.db2.gz ZAKZGFVTPDRFMB-CHWSQXEVSA-N 1 0 336.396 -1.547 20 0 EAADRO Cn1ncc(CCC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051832898 672848078 /nfs/dbraw/zinc/84/80/78/672848078.db2.gz ZAKZGFVTPDRFMB-OLZOCXBDSA-N 1 0 336.396 -1.547 20 0 EAADRO Cn1ncc(CCC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051832899 672847938 /nfs/dbraw/zinc/84/79/38/672847938.db2.gz ZAKZGFVTPDRFMB-QWHCGFSZSA-N 1 0 336.396 -1.547 20 0 EAADRO Cn1ncc(CCC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051832900 672848238 /nfs/dbraw/zinc/84/82/38/672848238.db2.gz ZAKZGFVTPDRFMB-STQMWFEESA-N 1 0 336.396 -1.547 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001051844879 672848689 /nfs/dbraw/zinc/84/86/89/672848689.db2.gz 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O=C(c1ccnnc1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051844910 672848694 /nfs/dbraw/zinc/84/86/94/672848694.db2.gz XZDBXONDEZXJHA-RYUDHWBXSA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1ccnnc1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051844911 672848914 /nfs/dbraw/zinc/84/89/14/672848914.db2.gz XZDBXONDEZXJHA-VXGBXAGGSA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051848365 672848789 /nfs/dbraw/zinc/84/87/89/672848789.db2.gz PQPXLOWCGJKKKZ-NEPJUHHUSA-N 1 0 335.364 -1.426 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051848366 672848851 /nfs/dbraw/zinc/84/88/51/672848851.db2.gz PQPXLOWCGJKKKZ-NWDGAFQWSA-N 1 0 335.364 -1.426 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051848367 672848708 /nfs/dbraw/zinc/84/87/08/672848708.db2.gz PQPXLOWCGJKKKZ-RYUDHWBXSA-N 1 0 335.364 -1.426 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051848368 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347.375 -1.003 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001051852080 672849349 /nfs/dbraw/zinc/84/93/49/672849349.db2.gz VDOMVRRDELPQEQ-STQMWFEESA-N 1 0 347.375 -1.003 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001051852448 672849082 /nfs/dbraw/zinc/84/90/82/672849082.db2.gz XOPGUIQEIIEFKC-OLZOCXBDSA-N 1 0 347.375 -1.003 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001051852449 672849394 /nfs/dbraw/zinc/84/93/94/672849394.db2.gz XOPGUIQEIIEFKC-STQMWFEESA-N 1 0 347.375 -1.003 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)C1=O ZINC001051853130 672849268 /nfs/dbraw/zinc/84/92/68/672849268.db2.gz FGZSDTWSSLJUTI-LLVKDONJSA-N 1 0 338.364 -1.366 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)C1=O ZINC001051853133 672849380 /nfs/dbraw/zinc/84/93/80/672849380.db2.gz FGZSDTWSSLJUTI-NSHDSACASA-N 1 0 338.364 -1.366 20 0 EAADRO 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COc1cncc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051859187 672849610 /nfs/dbraw/zinc/84/96/10/672849610.db2.gz VKQJEJPOCGLPRQ-GHMZBOCLSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cncc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051859188 672849792 /nfs/dbraw/zinc/84/97/92/672849792.db2.gz VKQJEJPOCGLPRQ-MNOVXSKESA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cncc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051859189 672849737 /nfs/dbraw/zinc/84/97/37/672849737.db2.gz VKQJEJPOCGLPRQ-QWRGUYRKSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1cncc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051859190 672850101 /nfs/dbraw/zinc/85/01/01/672850101.db2.gz VKQJEJPOCGLPRQ-WDEREUQCSA-N 1 0 335.364 -1.196 20 0 EAADRO Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051861172 672849625 /nfs/dbraw/zinc/84/96/25/672849625.db2.gz AWWNDHZJCIZJDU-GHMZBOCLSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051861173 672850040 /nfs/dbraw/zinc/85/00/40/672850040.db2.gz AWWNDHZJCIZJDU-MNOVXSKESA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001051861174 672850018 /nfs/dbraw/zinc/85/00/18/672850018.db2.gz AWWNDHZJCIZJDU-QWRGUYRKSA-N 1 0 335.364 -1.046 20 0 EAADRO Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001051861175 672849761 /nfs/dbraw/zinc/84/97/61/672849761.db2.gz AWWNDHZJCIZJDU-WDEREUQCSA-N 1 0 335.364 -1.046 20 0 EAADRO O=C(CCc1cn[nH]c1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051861214 672849713 /nfs/dbraw/zinc/84/97/13/672849713.db2.gz BSURNIZHHNVOQK-CHWSQXEVSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(CCc1cn[nH]c1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051861215 672849657 /nfs/dbraw/zinc/84/96/57/672849657.db2.gz BSURNIZHHNVOQK-OLZOCXBDSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(CCc1cn[nH]c1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051861216 672849822 /nfs/dbraw/zinc/84/98/22/672849822.db2.gz 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O=C(c1cnon1)N1CCO[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001051875899 672851558 /nfs/dbraw/zinc/85/15/58/672851558.db2.gz CQLQBNUJMZVWKL-WDEREUQCSA-N 1 0 344.393 -1.065 20 0 EAADRO O=C(c1ncccn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051876680 672851594 /nfs/dbraw/zinc/85/15/94/672851594.db2.gz SMJFVTAZYJDCPL-GHMZBOCLSA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1ncccn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051876681 672851877 /nfs/dbraw/zinc/85/18/77/672851877.db2.gz SMJFVTAZYJDCPL-MNOVXSKESA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1ncccn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051876682 672851584 /nfs/dbraw/zinc/85/15/84/672851584.db2.gz SMJFVTAZYJDCPL-QWRGUYRKSA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1ncccn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051876683 672851552 /nfs/dbraw/zinc/85/15/52/672851552.db2.gz SMJFVTAZYJDCPL-WDEREUQCSA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1cccnn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051877429 672851893 /nfs/dbraw/zinc/85/18/93/672851893.db2.gz BTRHIWLHCZWSGA-GHMZBOCLSA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1cccnn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051877430 672851620 /nfs/dbraw/zinc/85/16/20/672851620.db2.gz BTRHIWLHCZWSGA-MNOVXSKESA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1cccnn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051877431 672851646 /nfs/dbraw/zinc/85/16/46/672851646.db2.gz BTRHIWLHCZWSGA-QWRGUYRKSA-N 1 0 333.348 -1.288 20 0 EAADRO O=C(c1cccnn1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051877432 672851767 /nfs/dbraw/zinc/85/17/67/672851767.db2.gz BTRHIWLHCZWSGA-WDEREUQCSA-N 1 0 333.348 -1.288 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051881437 672851579 /nfs/dbraw/zinc/85/15/79/672851579.db2.gz BAQVPQLIJHLXBH-CYBMUJFWSA-N 1 0 349.399 -1.308 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051881438 672851778 /nfs/dbraw/zinc/85/17/78/672851778.db2.gz BAQVPQLIJHLXBH-ZDUSSCGKSA-N 1 0 349.399 -1.308 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051881664 672851601 /nfs/dbraw/zinc/85/16/01/672851601.db2.gz FCWSLCHKDFMDSF-GFCCVEGCSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051881665 672851936 /nfs/dbraw/zinc/85/19/36/672851936.db2.gz FCWSLCHKDFMDSF-LBPRGKRZSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cnnn3)CCO2)cn1 ZINC001051881735 672851752 /nfs/dbraw/zinc/85/17/52/672851752.db2.gz GVVSOAIUSHBIKJ-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)CCn3cnnn3)CCO2)cn1 ZINC001051881736 672851663 /nfs/dbraw/zinc/85/16/63/672851663.db2.gz GVVSOAIUSHBIKJ-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051882214 672852242 /nfs/dbraw/zinc/85/22/42/672852242.db2.gz MQMFVSDIZQPLIA-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051882215 672852155 /nfs/dbraw/zinc/85/21/55/672852155.db2.gz MQMFVSDIZQPLIA-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cnnn3)CCO2)n1 ZINC001051882380 672852281 /nfs/dbraw/zinc/85/22/81/672852281.db2.gz OTPBPWSOCPLADJ-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)CCn3cnnn3)CCO2)n1 ZINC001051882381 672852088 /nfs/dbraw/zinc/85/20/88/672852088.db2.gz OTPBPWSOCPLADJ-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO O=C(CCn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051882421 672852630 /nfs/dbraw/zinc/85/26/30/672852630.db2.gz PMLHKSWUWOTRAI-JTQLQIEISA-N 1 0 338.397 -1.068 20 0 EAADRO O=C(CCn1cnnn1)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051882422 672852254 /nfs/dbraw/zinc/85/22/54/672852254.db2.gz PMLHKSWUWOTRAI-SNVBAGLBSA-N 1 0 338.397 -1.068 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cnnn3)CCO2)C1=O ZINC001051882509 672852226 /nfs/dbraw/zinc/85/22/26/672852226.db2.gz QLJAUWRJZVFASZ-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CCn3cnnn3)CCO2)C1=O ZINC001051882510 672852378 /nfs/dbraw/zinc/85/23/78/672852378.db2.gz QLJAUWRJZVFASZ-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CCn3cnnn3)CCO2)C1=O ZINC001051882511 672852434 /nfs/dbraw/zinc/85/24/34/672852434.db2.gz QLJAUWRJZVFASZ-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cnnn3)CCO2)C1=O ZINC001051882512 672852496 /nfs/dbraw/zinc/85/24/96/672852496.db2.gz QLJAUWRJZVFASZ-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051882932 672852112 /nfs/dbraw/zinc/85/21/12/672852112.db2.gz VUOBQKDQFGNKAW-GFCCVEGCSA-N 1 0 335.372 -1.791 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051882933 672852366 /nfs/dbraw/zinc/85/23/66/672852366.db2.gz VUOBQKDQFGNKAW-LBPRGKRZSA-N 1 0 335.372 -1.791 20 0 EAADRO O=C(CCn1cnnn1)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051882988 672852572 /nfs/dbraw/zinc/85/25/72/672852572.db2.gz XTGYELXFQDHLCJ-NEPJUHHUSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(CCn1cnnn1)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051882989 672852297 /nfs/dbraw/zinc/85/22/97/672852297.db2.gz XTGYELXFQDHLCJ-NWDGAFQWSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(CCn1cnnn1)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051882990 672852444 /nfs/dbraw/zinc/85/24/44/672852444.db2.gz XTGYELXFQDHLCJ-RYUDHWBXSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(CCn1cnnn1)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051882991 672852612 /nfs/dbraw/zinc/85/26/12/672852612.db2.gz XTGYELXFQDHLCJ-VXGBXAGGSA-N 1 0 337.384 -1.841 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051883193 672852534 /nfs/dbraw/zinc/85/25/34/672852534.db2.gz ZTAJYDCQVNEFKG-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001051883194 672852423 /nfs/dbraw/zinc/85/24/23/672852423.db2.gz ZTAJYDCQVNEFKG-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051884155 672852339 /nfs/dbraw/zinc/85/23/39/672852339.db2.gz IVYSHRUTDVXKCZ-GHMZBOCLSA-N 1 0 335.364 -1.426 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051884156 672852058 /nfs/dbraw/zinc/85/20/58/672852058.db2.gz IVYSHRUTDVXKCZ-MNOVXSKESA-N 1 0 335.364 -1.426 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051884157 672852262 /nfs/dbraw/zinc/85/22/62/672852262.db2.gz IVYSHRUTDVXKCZ-QWRGUYRKSA-N 1 0 335.364 -1.426 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051884158 672852559 /nfs/dbraw/zinc/85/25/59/672852559.db2.gz IVYSHRUTDVXKCZ-WDEREUQCSA-N 1 0 335.364 -1.426 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC001051887177 672853196 /nfs/dbraw/zinc/85/31/96/672853196.db2.gz BSLDBYNMZFVBJJ-GFCCVEGCSA-N 1 0 347.379 -1.127 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC001051887178 672852846 /nfs/dbraw/zinc/85/28/46/672852846.db2.gz BSLDBYNMZFVBJJ-LBPRGKRZSA-N 1 0 347.379 -1.127 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)CCO2)C1=O ZINC001051887881 672852920 /nfs/dbraw/zinc/85/29/20/672852920.db2.gz KSXQCNTUOFZTIJ-NEPJUHHUSA-N 1 0 349.391 -1.225 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)CCO2)C1=O ZINC001051887882 672853223 /nfs/dbraw/zinc/85/32/23/672853223.db2.gz KSXQCNTUOFZTIJ-NWDGAFQWSA-N 1 0 349.391 -1.225 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)CCO2)C1=O ZINC001051887883 672853032 /nfs/dbraw/zinc/85/30/32/672853032.db2.gz KSXQCNTUOFZTIJ-RYUDHWBXSA-N 1 0 349.391 -1.225 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)CCO2)C1=O ZINC001051887884 672853120 /nfs/dbraw/zinc/85/31/20/672853120.db2.gz KSXQCNTUOFZTIJ-VXGBXAGGSA-N 1 0 349.391 -1.225 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051888351 672852826 /nfs/dbraw/zinc/85/28/26/672852826.db2.gz UDZMRUIXUUUQMV-GHMZBOCLSA-N 1 0 335.364 -1.567 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051888353 672852814 /nfs/dbraw/zinc/85/28/14/672852814.db2.gz UDZMRUIXUUUQMV-MNOVXSKESA-N 1 0 335.364 -1.567 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051888355 672852773 /nfs/dbraw/zinc/85/27/73/672852773.db2.gz UDZMRUIXUUUQMV-QWRGUYRKSA-N 1 0 335.364 -1.567 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051888357 672852854 /nfs/dbraw/zinc/85/28/54/672852854.db2.gz UDZMRUIXUUUQMV-WDEREUQCSA-N 1 0 335.364 -1.567 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)c1 ZINC001051888367 672853297 /nfs/dbraw/zinc/85/32/97/672853297.db2.gz UHGBPTKUKNDYKP-NEPJUHHUSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)c1 ZINC001051888369 672853281 /nfs/dbraw/zinc/85/32/81/672853281.db2.gz UHGBPTKUKNDYKP-NWDGAFQWSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)c1 ZINC001051888371 672853000 /nfs/dbraw/zinc/85/30/00/672853000.db2.gz UHGBPTKUKNDYKP-RYUDHWBXSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)c1 ZINC001051888373 672852975 /nfs/dbraw/zinc/85/29/75/672852975.db2.gz UHGBPTKUKNDYKP-VXGBXAGGSA-N 1 0 349.391 -1.177 20 0 EAADRO Cc1nonc1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001051889578 672853153 /nfs/dbraw/zinc/85/31/53/672853153.db2.gz XTJNHPXZIDKGNQ-NEPJUHHUSA-N 1 0 337.380 -1.032 20 0 EAADRO Cc1nonc1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001051889579 672853273 /nfs/dbraw/zinc/85/32/73/672853273.db2.gz XTJNHPXZIDKGNQ-NWDGAFQWSA-N 1 0 337.380 -1.032 20 0 EAADRO Cc1nonc1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001051889580 672853213 /nfs/dbraw/zinc/85/32/13/672853213.db2.gz XTJNHPXZIDKGNQ-RYUDHWBXSA-N 1 0 337.380 -1.032 20 0 EAADRO Cc1nonc1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001051889581 672852984 /nfs/dbraw/zinc/85/29/84/672852984.db2.gz XTJNHPXZIDKGNQ-VXGBXAGGSA-N 1 0 337.380 -1.032 20 0 EAADRO O=C(CCn1cnccc1=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051890243 672853592 /nfs/dbraw/zinc/85/35/92/672853592.db2.gz PDTWVORFIJZLOB-CHWSQXEVSA-N 1 0 349.391 -1.661 20 0 EAADRO O=C(CCn1cnccc1=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051890244 672853647 /nfs/dbraw/zinc/85/36/47/672853647.db2.gz PDTWVORFIJZLOB-OLZOCXBDSA-N 1 0 349.391 -1.661 20 0 EAADRO O=C(CCn1cnccc1=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051890245 672853536 /nfs/dbraw/zinc/85/35/36/672853536.db2.gz PDTWVORFIJZLOB-QWHCGFSZSA-N 1 0 349.391 -1.661 20 0 EAADRO O=C(CCn1cnccc1=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051890246 672853999 /nfs/dbraw/zinc/85/39/99/672853999.db2.gz PDTWVORFIJZLOB-STQMWFEESA-N 1 0 349.391 -1.661 20 0 EAADRO CCn1cc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)nn1 ZINC001051890525 672853397 /nfs/dbraw/zinc/85/33/97/672853397.db2.gz SLVGNZNEKJBYCY-NEPJUHHUSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)nn1 ZINC001051890526 672853703 /nfs/dbraw/zinc/85/37/03/672853703.db2.gz SLVGNZNEKJBYCY-NWDGAFQWSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1cc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)nn1 ZINC001051890527 672853892 /nfs/dbraw/zinc/85/38/92/672853892.db2.gz SLVGNZNEKJBYCY-RYUDHWBXSA-N 1 0 336.396 -1.041 20 0 EAADRO CCn1cc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)nn1 ZINC001051890528 672853465 /nfs/dbraw/zinc/85/34/65/672853465.db2.gz SLVGNZNEKJBYCY-VXGBXAGGSA-N 1 0 336.396 -1.041 20 0 EAADRO COc1ncc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001051892475 672854006 /nfs/dbraw/zinc/85/40/06/672854006.db2.gz RCSUIAHUOVEGGW-NEPJUHHUSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1ncc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001051892476 672853608 /nfs/dbraw/zinc/85/36/08/672853608.db2.gz RCSUIAHUOVEGGW-NWDGAFQWSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1ncc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001051892478 672853713 /nfs/dbraw/zinc/85/37/13/672853713.db2.gz RCSUIAHUOVEGGW-RYUDHWBXSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1ncc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001051892480 672853521 /nfs/dbraw/zinc/85/35/21/672853521.db2.gz RCSUIAHUOVEGGW-VXGBXAGGSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1ccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001051893433 672853752 /nfs/dbraw/zinc/85/37/52/672853752.db2.gz OKQXMQBLFQAQML-GHMZBOCLSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001051893435 672853930 /nfs/dbraw/zinc/85/39/30/672853930.db2.gz OKQXMQBLFQAQML-MNOVXSKESA-N 1 0 335.364 -1.196 20 0 EAADRO COc1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001051893437 672853809 /nfs/dbraw/zinc/85/38/09/672853809.db2.gz OKQXMQBLFQAQML-QWRGUYRKSA-N 1 0 335.364 -1.196 20 0 EAADRO COc1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001051893439 672853862 /nfs/dbraw/zinc/85/38/62/672853862.db2.gz OKQXMQBLFQAQML-WDEREUQCSA-N 1 0 335.364 -1.196 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896068 672853574 /nfs/dbraw/zinc/85/35/74/672853574.db2.gz DRUCHPQXOWUPFA-NEPJUHHUSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896069 672853382 /nfs/dbraw/zinc/85/33/82/672853382.db2.gz DRUCHPQXOWUPFA-NWDGAFQWSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896070 672853432 /nfs/dbraw/zinc/85/34/32/672853432.db2.gz DRUCHPQXOWUPFA-RYUDHWBXSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896071 672853873 /nfs/dbraw/zinc/85/38/73/672853873.db2.gz DRUCHPQXOWUPFA-VXGBXAGGSA-N 1 0 336.396 -1.215 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051896236 672853416 /nfs/dbraw/zinc/85/34/16/672853416.db2.gz FXSKLDRFJOGCHN-NXEZZACHSA-N 1 0 336.352 -2.031 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051896237 672853624 /nfs/dbraw/zinc/85/36/24/672853624.db2.gz FXSKLDRFJOGCHN-UWVGGRQHSA-N 1 0 336.352 -2.031 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051896238 672853986 /nfs/dbraw/zinc/85/39/86/672853986.db2.gz FXSKLDRFJOGCHN-VHSXEESVSA-N 1 0 336.352 -2.031 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051896239 672853845 /nfs/dbraw/zinc/85/38/45/672853845.db2.gz FXSKLDRFJOGCHN-ZJUUUORDSA-N 1 0 336.352 -2.031 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896258 672853369 /nfs/dbraw/zinc/85/33/69/672853369.db2.gz GHEWKQPISXCJEI-NEPJUHHUSA-N 1 0 336.396 -1.215 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896259 672853558 /nfs/dbraw/zinc/85/35/58/672853558.db2.gz GHEWKQPISXCJEI-NWDGAFQWSA-N 1 0 336.396 -1.215 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896260 672853737 /nfs/dbraw/zinc/85/37/37/672853737.db2.gz GHEWKQPISXCJEI-RYUDHWBXSA-N 1 0 336.396 -1.215 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)C1=O ZINC001051896261 672853488 /nfs/dbraw/zinc/85/34/88/672853488.db2.gz GHEWKQPISXCJEI-VXGBXAGGSA-N 1 0 336.396 -1.215 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051896624 672854527 /nfs/dbraw/zinc/85/45/27/672854527.db2.gz KMZIEGDHOKXLND-NEPJUHHUSA-N 1 0 346.395 -1.057 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051896625 672854108 /nfs/dbraw/zinc/85/41/08/672854108.db2.gz KMZIEGDHOKXLND-NWDGAFQWSA-N 1 0 346.395 -1.057 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051896626 672854873 /nfs/dbraw/zinc/85/48/73/672854873.db2.gz KMZIEGDHOKXLND-RYUDHWBXSA-N 1 0 346.395 -1.057 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCO[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051896627 672854172 /nfs/dbraw/zinc/85/41/72/672854172.db2.gz KMZIEGDHOKXLND-VXGBXAGGSA-N 1 0 346.395 -1.057 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051897423 672854634 /nfs/dbraw/zinc/85/46/34/672854634.db2.gz YOVWTOWNBYWUQB-GFCCVEGCSA-N 1 0 334.384 -1.024 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051897424 672854493 /nfs/dbraw/zinc/85/44/93/672854493.db2.gz YOVWTOWNBYWUQB-LBPRGKRZSA-N 1 0 334.384 -1.024 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051901954 672854433 /nfs/dbraw/zinc/85/44/33/672854433.db2.gz SHSDVKXOJJQDSU-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051901955 672854583 /nfs/dbraw/zinc/85/45/83/672854583.db2.gz SHSDVKXOJJQDSU-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051901956 672854675 /nfs/dbraw/zinc/85/46/75/672854675.db2.gz SHSDVKXOJJQDSU-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051901957 672854047 /nfs/dbraw/zinc/85/40/47/672854047.db2.gz SHSDVKXOJJQDSU-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051902032 672854142 /nfs/dbraw/zinc/85/41/42/672854142.db2.gz UFXACLGATKYUTA-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051902033 672854270 /nfs/dbraw/zinc/85/42/70/672854270.db2.gz UFXACLGATKYUTA-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051902067 672854539 /nfs/dbraw/zinc/85/45/39/672854539.db2.gz UFXACLGATKYUTA-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051902068 672854766 /nfs/dbraw/zinc/85/47/66/672854766.db2.gz UFXACLGATKYUTA-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1cncc1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051903087 672854594 /nfs/dbraw/zinc/85/45/94/672854594.db2.gz PDJBMICBIAHBIU-CHWSQXEVSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1cncc1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051903089 672854297 /nfs/dbraw/zinc/85/42/97/672854297.db2.gz PDJBMICBIAHBIU-OLZOCXBDSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1cncc1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051903090 672854468 /nfs/dbraw/zinc/85/44/68/672854468.db2.gz PDJBMICBIAHBIU-QWHCGFSZSA-N 1 0 349.391 -1.415 20 0 EAADRO Cn1cncc1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051903092 672854124 /nfs/dbraw/zinc/85/41/24/672854124.db2.gz PDJBMICBIAHBIU-STQMWFEESA-N 1 0 349.391 -1.415 20 0 EAADRO CN(C)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001051904342 672854454 /nfs/dbraw/zinc/85/44/54/672854454.db2.gz IQUZEHSRUFSAFW-NEPJUHHUSA-N 1 0 348.407 -1.138 20 0 EAADRO CN(C)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001051904343 672854713 /nfs/dbraw/zinc/85/47/13/672854713.db2.gz IQUZEHSRUFSAFW-NWDGAFQWSA-N 1 0 348.407 -1.138 20 0 EAADRO CN(C)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001051904344 672854480 /nfs/dbraw/zinc/85/44/80/672854480.db2.gz IQUZEHSRUFSAFW-RYUDHWBXSA-N 1 0 348.407 -1.138 20 0 EAADRO CN(C)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001051904345 672854318 /nfs/dbraw/zinc/85/43/18/672854318.db2.gz IQUZEHSRUFSAFW-VXGBXAGGSA-N 1 0 348.407 -1.138 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904396 672854216 /nfs/dbraw/zinc/85/42/16/672854216.db2.gz KXTZZTUOJBNFIM-GFCCVEGCSA-N 1 0 335.412 -1.377 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904397 672854611 /nfs/dbraw/zinc/85/46/11/672854611.db2.gz KXTZZTUOJBNFIM-LBPRGKRZSA-N 1 0 335.412 -1.377 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n1 ZINC001051904813 672854881 /nfs/dbraw/zinc/85/48/81/672854881.db2.gz VCAFSVUBOQJAKE-GFCCVEGCSA-N 1 0 335.412 -1.377 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n1 ZINC001051904814 672854424 /nfs/dbraw/zinc/85/44/24/672854424.db2.gz VCAFSVUBOQJAKE-LBPRGKRZSA-N 1 0 335.412 -1.377 20 0 EAADRO O=C(N1CCO[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001051904845 672854747 /nfs/dbraw/zinc/85/47/47/672854747.db2.gz VWLVCEKSYOZHGT-LLVKDONJSA-N 1 0 336.396 -1.077 20 0 EAADRO O=C(N1CCO[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001051904846 672855169 /nfs/dbraw/zinc/85/51/69/672855169.db2.gz VWLVCEKSYOZHGT-NSHDSACASA-N 1 0 336.396 -1.077 20 0 EAADRO Cn1cccc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001051905812 672855291 /nfs/dbraw/zinc/85/52/91/672855291.db2.gz HLFXVOUWNPBYTH-AAEUAGOBSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1cccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001051905814 672855342 /nfs/dbraw/zinc/85/53/42/672855342.db2.gz HLFXVOUWNPBYTH-DGCLKSJQSA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1cccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001051905816 672855119 /nfs/dbraw/zinc/85/51/19/672855119.db2.gz HLFXVOUWNPBYTH-WCQYABFASA-N 1 0 334.376 -1.296 20 0 EAADRO Cn1cccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001051905818 672855180 /nfs/dbraw/zinc/85/51/80/672855180.db2.gz HLFXVOUWNPBYTH-YPMHNXCESA-N 1 0 334.376 -1.296 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051907813 672855329 /nfs/dbraw/zinc/85/53/29/672855329.db2.gz AAUISMRYWALNNS-OLZOCXBDSA-N 1 0 336.396 -1.106 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051907816 672855298 /nfs/dbraw/zinc/85/52/98/672855298.db2.gz AAUISMRYWALNNS-STQMWFEESA-N 1 0 336.396 -1.106 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)cc1=O ZINC001051908556 672855347 /nfs/dbraw/zinc/85/53/47/672855347.db2.gz KGFXNEJTIVVUMT-KBPBESRZSA-N 1 0 348.403 -1.019 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)cc1=O ZINC001051908557 672855323 /nfs/dbraw/zinc/85/53/23/672855323.db2.gz KGFXNEJTIVVUMT-KGLIPLIRSA-N 1 0 348.403 -1.019 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051910033 672855195 /nfs/dbraw/zinc/85/51/95/672855195.db2.gz 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O=C(c1cnn2cc[nH]c12)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051917446 672855363 /nfs/dbraw/zinc/85/53/63/672855363.db2.gz ZWPLQWMHURYCMH-PWSUYJOCSA-N 1 0 332.364 -1.019 20 0 EAADRO O=C(c1cnn2cc[nH]c12)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051917447 672855699 /nfs/dbraw/zinc/85/56/99/672855699.db2.gz ZWPLQWMHURYCMH-ZYHUDNBSSA-N 1 0 332.364 -1.019 20 0 EAADRO COc1c(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cnn1C ZINC001051917723 672855678 /nfs/dbraw/zinc/85/56/78/672855678.db2.gz GDSMMWPJQOPLFU-CMPLNLGQSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1c(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cnn1C ZINC001051917724 672855808 /nfs/dbraw/zinc/85/58/08/672855808.db2.gz GDSMMWPJQOPLFU-JQWIXIFHSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1c(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cnn1C ZINC001051917725 672855590 /nfs/dbraw/zinc/85/55/90/672855590.db2.gz GDSMMWPJQOPLFU-PWSUYJOCSA-N 1 0 337.380 -1.252 20 0 EAADRO COc1c(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cnn1C ZINC001051917726 672855626 /nfs/dbraw/zinc/85/56/26/672855626.db2.gz GDSMMWPJQOPLFU-ZYHUDNBSSA-N 1 0 337.380 -1.252 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051919039 672855712 /nfs/dbraw/zinc/85/57/12/672855712.db2.gz VHXCEFRZKGLANN-NEPJUHHUSA-N 1 0 349.391 -1.117 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051919040 672855824 /nfs/dbraw/zinc/85/58/24/672855824.db2.gz VHXCEFRZKGLANN-NWDGAFQWSA-N 1 0 349.391 -1.117 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051919041 672855633 /nfs/dbraw/zinc/85/56/33/672855633.db2.gz VHXCEFRZKGLANN-RYUDHWBXSA-N 1 0 349.391 -1.117 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051919042 672855510 /nfs/dbraw/zinc/85/55/10/672855510.db2.gz VHXCEFRZKGLANN-VXGBXAGGSA-N 1 0 349.391 -1.117 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)ccc1=O ZINC001051923969 672856406 /nfs/dbraw/zinc/85/64/06/672856406.db2.gz CEKXWXSGRILVJV-NEPJUHHUSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)ccc1=O ZINC001051923970 672856547 /nfs/dbraw/zinc/85/65/47/672856547.db2.gz CEKXWXSGRILVJV-NWDGAFQWSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)ccc1=O ZINC001051923971 672856567 /nfs/dbraw/zinc/85/65/67/672856567.db2.gz CEKXWXSGRILVJV-RYUDHWBXSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)ccc1=O ZINC001051923972 672856794 /nfs/dbraw/zinc/85/67/94/672856794.db2.gz CEKXWXSGRILVJV-VXGBXAGGSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)ccc1=O ZINC001051924269 672856752 /nfs/dbraw/zinc/85/67/52/672856752.db2.gz JQUXDJPGSGKPNT-GHMZBOCLSA-N 1 0 335.364 -1.901 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)ccc1=O ZINC001051924270 672856730 /nfs/dbraw/zinc/85/67/30/672856730.db2.gz JQUXDJPGSGKPNT-MNOVXSKESA-N 1 0 335.364 -1.901 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)ccc1=O ZINC001051924271 672856639 /nfs/dbraw/zinc/85/66/39/672856639.db2.gz JQUXDJPGSGKPNT-QWRGUYRKSA-N 1 0 335.364 -1.901 20 0 EAADRO Cn1nc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)ccc1=O ZINC001051924272 672856589 /nfs/dbraw/zinc/85/65/89/672856589.db2.gz JQUXDJPGSGKPNT-WDEREUQCSA-N 1 0 335.364 -1.901 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924512 672856466 /nfs/dbraw/zinc/85/64/66/672856466.db2.gz PAGVQPRWCCHLQW-CYBMUJFWSA-N 1 0 334.384 -1.093 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924513 672856488 /nfs/dbraw/zinc/85/64/88/672856488.db2.gz PAGVQPRWCCHLQW-ZDUSSCGKSA-N 1 0 334.384 -1.093 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)C1=O ZINC001051924566 672856923 /nfs/dbraw/zinc/85/69/23/672856923.db2.gz QKTZKVFAOZKAAQ-NEPJUHHUSA-N 1 0 349.391 -1.558 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)C1=O ZINC001051924567 672857343 /nfs/dbraw/zinc/85/73/43/672857343.db2.gz QKTZKVFAOZKAAQ-NWDGAFQWSA-N 1 0 349.391 -1.558 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)C1=O ZINC001051924568 672857136 /nfs/dbraw/zinc/85/71/36/672857136.db2.gz QKTZKVFAOZKAAQ-RYUDHWBXSA-N 1 0 349.391 -1.558 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)C1=O ZINC001051924569 672857189 /nfs/dbraw/zinc/85/71/89/672857189.db2.gz QKTZKVFAOZKAAQ-VXGBXAGGSA-N 1 0 349.391 -1.558 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 ZINC001051924717 672857090 /nfs/dbraw/zinc/85/70/90/672857090.db2.gz UONRDMNMNYUNLO-GFCCVEGCSA-N 1 0 347.379 -1.460 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 ZINC001051924718 672856992 /nfs/dbraw/zinc/85/69/92/672856992.db2.gz UONRDMNMNYUNLO-LBPRGKRZSA-N 1 0 347.379 -1.460 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)CCO2)C1=O ZINC001051924780 672856985 /nfs/dbraw/zinc/85/69/85/672856985.db2.gz VOJYERGUUIIMMT-CHWSQXEVSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)CCO2)C1=O ZINC001051924781 672857025 /nfs/dbraw/zinc/85/70/25/672857025.db2.gz VOJYERGUUIIMMT-OLZOCXBDSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3cncn3)CCO2)C1=O ZINC001051924782 672857033 /nfs/dbraw/zinc/85/70/33/672857033.db2.gz VOJYERGUUIIMMT-QWHCGFSZSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3cncn3)CCO2)C1=O ZINC001051924783 672856942 /nfs/dbraw/zinc/85/69/42/672856942.db2.gz VOJYERGUUIIMMT-STQMWFEESA-N 1 0 336.396 -1.284 20 0 EAADRO O=C(Cn1cncn1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051924850 672857239 /nfs/dbraw/zinc/85/72/39/672857239.db2.gz XWCODVYHIAQGBF-GHMZBOCLSA-N 1 0 336.352 -2.100 20 0 EAADRO O=C(Cn1cncn1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051924851 672857351 /nfs/dbraw/zinc/85/73/51/672857351.db2.gz XWCODVYHIAQGBF-MNOVXSKESA-N 1 0 336.352 -2.100 20 0 EAADRO O=C(Cn1cncn1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051924852 672857082 /nfs/dbraw/zinc/85/70/82/672857082.db2.gz 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O=C(CN1C(=O)CCC1=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051924990 672857168 /nfs/dbraw/zinc/85/71/68/672857168.db2.gz BPQWICLWVBLJOJ-QWRGUYRKSA-N 1 0 338.364 -2.159 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051924991 672857433 /nfs/dbraw/zinc/85/74/33/672857433.db2.gz BPQWICLWVBLJOJ-WDEREUQCSA-N 1 0 338.364 -2.159 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCO[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001051924992 672857406 /nfs/dbraw/zinc/85/74/06/672857406.db2.gz BQJIXYPBWAKPGV-CYBMUJFWSA-N 1 0 347.375 -1.050 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCO[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001051924993 672857334 /nfs/dbraw/zinc/85/73/34/672857334.db2.gz BQJIXYPBWAKPGV-ZDUSSCGKSA-N 1 0 347.375 -1.050 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001051925040 672857068 /nfs/dbraw/zinc/85/70/68/672857068.db2.gz CRVNXHCWTNFJBV-NEPJUHHUSA-N 1 0 340.380 -1.608 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001051925041 672856997 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1 0 337.424 -1.039 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051933300 672859778 /nfs/dbraw/zinc/85/97/78/672859778.db2.gz DXBSRYXMHAHPFM-VXGBXAGGSA-N 1 0 337.424 -1.039 20 0 EAADRO Cc1nccn1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051933550 672859735 /nfs/dbraw/zinc/85/97/35/672859735.db2.gz JMIVXCZYFZKWGB-CHWSQXEVSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1nccn1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051933555 672859688 /nfs/dbraw/zinc/85/96/88/672859688.db2.gz JMIVXCZYFZKWGB-OLZOCXBDSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1nccn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051933605 672859820 /nfs/dbraw/zinc/85/98/20/672859820.db2.gz JMIVXCZYFZKWGB-QWHCGFSZSA-N 1 0 349.391 -1.186 20 0 EAADRO Cc1nccn1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051933606 672859675 /nfs/dbraw/zinc/85/96/75/672859675.db2.gz JMIVXCZYFZKWGB-STQMWFEESA-N 1 0 349.391 -1.186 20 0 EAADRO NC(=O)c1cncc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051936080 672860082 /nfs/dbraw/zinc/86/00/82/672860082.db2.gz BAYOYPSXIFEBKW-CHWSQXEVSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1cncc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051936081 672860341 /nfs/dbraw/zinc/86/03/41/672860341.db2.gz BAYOYPSXIFEBKW-OLZOCXBDSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1cncc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051936082 672860210 /nfs/dbraw/zinc/86/02/10/672860210.db2.gz BAYOYPSXIFEBKW-QWHCGFSZSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1cncc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051936083 672860124 /nfs/dbraw/zinc/86/01/24/672860124.db2.gz BAYOYPSXIFEBKW-STQMWFEESA-N 1 0 347.375 -1.500 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001051936774 672860680 /nfs/dbraw/zinc/86/06/80/672860680.db2.gz YLCUEOYBFHJBSI-NEPJUHHUSA-N 1 0 343.428 -1.556 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001051936775 672861005 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EAADRO O=C(CCN1CCCC1=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051938142 672860876 /nfs/dbraw/zinc/86/08/76/672860876.db2.gz GZKMMKBWAFUEJS-STQMWFEESA-N 1 0 338.408 -1.296 20 0 EAADRO NC(=O)c1ncccc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051939357 672860994 /nfs/dbraw/zinc/86/09/94/672860994.db2.gz AIJARWXNXJWVGA-CMPLNLGQSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ncccc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051939359 672861028 /nfs/dbraw/zinc/86/10/28/672861028.db2.gz AIJARWXNXJWVGA-JQWIXIFHSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ncccc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051939362 672860945 /nfs/dbraw/zinc/86/09/45/672860945.db2.gz AIJARWXNXJWVGA-PWSUYJOCSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ncccc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051939366 672860815 /nfs/dbraw/zinc/86/08/15/672860815.db2.gz AIJARWXNXJWVGA-ZYHUDNBSSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCO[C@H](C[NH2+]CC3CCC3)C2)nn1 ZINC001051943998 672861875 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ZINC001051946554 672861863 /nfs/dbraw/zinc/86/18/63/672861863.db2.gz QRJQUIFCBSTBRH-ZYHUDNBSSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)nc1 ZINC001051948575 672862298 /nfs/dbraw/zinc/86/22/98/672862298.db2.gz OHMBZQCKXZKMHT-NEPJUHHUSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nc1 ZINC001051948578 672862348 /nfs/dbraw/zinc/86/23/48/672862348.db2.gz OHMBZQCKXZKMHT-NWDGAFQWSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nc1 ZINC001051948582 672862366 /nfs/dbraw/zinc/86/23/66/672862366.db2.gz OHMBZQCKXZKMHT-RYUDHWBXSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nc1 ZINC001051948584 672862181 /nfs/dbraw/zinc/86/21/81/672862181.db2.gz OHMBZQCKXZKMHT-VXGBXAGGSA-N 1 0 347.375 -1.500 20 0 EAADRO O=C(Cn1ccnc1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051949016 672862144 /nfs/dbraw/zinc/86/21/44/672862144.db2.gz 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C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001051949280 672862432 /nfs/dbraw/zinc/86/24/32/672862432.db2.gz UXPKOYWASXUSGU-RYUDHWBXSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001051949282 672862494 /nfs/dbraw/zinc/86/24/94/672862494.db2.gz UXPKOYWASXUSGU-VXGBXAGGSA-N 1 0 325.413 -1.039 20 0 EAADRO Cc1nonc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051951493 672862268 /nfs/dbraw/zinc/86/22/68/672862268.db2.gz HGZWOYIYWJWICE-NXEZZACHSA-N 1 0 337.336 -1.386 20 0 EAADRO Cc1nonc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051951494 672862405 /nfs/dbraw/zinc/86/24/05/672862405.db2.gz HGZWOYIYWJWICE-UWVGGRQHSA-N 1 0 337.336 -1.386 20 0 EAADRO Cc1nonc1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051951495 672862600 /nfs/dbraw/zinc/86/26/00/672862600.db2.gz HGZWOYIYWJWICE-VHSXEESVSA-N 1 0 337.336 -1.386 20 0 EAADRO Cc1nonc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051951496 672862188 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ZINC001051953051 672863029 /nfs/dbraw/zinc/86/30/29/672863029.db2.gz IYJSISFOSPARJN-QWHCGFSZSA-N 1 0 336.396 -1.547 20 0 EAADRO Cn1cc(CCC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001051953054 672863025 /nfs/dbraw/zinc/86/30/25/672863025.db2.gz IYJSISFOSPARJN-STQMWFEESA-N 1 0 336.396 -1.547 20 0 EAADRO Cn1cc(CCC(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)nn1 ZINC001051953062 672863221 /nfs/dbraw/zinc/86/32/21/672863221.db2.gz IZLOUCKSVHZEJB-AWEZNQCLSA-N 1 0 348.411 -1.107 20 0 EAADRO Cn1cc(CCC(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)nn1 ZINC001051953065 672862763 /nfs/dbraw/zinc/86/27/63/672862763.db2.gz IZLOUCKSVHZEJB-CQSZACIVSA-N 1 0 348.411 -1.107 20 0 EAADRO CCn1nc(C)c(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051953451 672863059 /nfs/dbraw/zinc/86/30/59/672863059.db2.gz LXYDBOUJJCABNY-NEPJUHHUSA-N 1 0 336.396 -1.074 20 0 EAADRO CCn1nc(C)c(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051953452 672862746 /nfs/dbraw/zinc/86/27/46/672862746.db2.gz LXYDBOUJJCABNY-NWDGAFQWSA-N 1 0 336.396 -1.074 20 0 EAADRO CCn1nc(C)c(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001051953453 672863240 /nfs/dbraw/zinc/86/32/40/672863240.db2.gz LXYDBOUJJCABNY-RYUDHWBXSA-N 1 0 336.396 -1.074 20 0 EAADRO CCn1nc(C)c(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001051953454 672863202 /nfs/dbraw/zinc/86/32/02/672863202.db2.gz LXYDBOUJJCABNY-VXGBXAGGSA-N 1 0 336.396 -1.074 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)CCO2)cn1 ZINC001051956156 672863127 /nfs/dbraw/zinc/86/31/27/672863127.db2.gz JUMRYIVLCTYBNJ-CHWSQXEVSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)CCO2)cn1 ZINC001051956157 672863108 /nfs/dbraw/zinc/86/31/08/672863108.db2.gz JUMRYIVLCTYBNJ-OLZOCXBDSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)CCO2)cn1 ZINC001051956158 672862999 /nfs/dbraw/zinc/86/29/99/672862999.db2.gz JUMRYIVLCTYBNJ-QWHCGFSZSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)CCO2)cn1 ZINC001051956159 672863169 /nfs/dbraw/zinc/86/31/69/672863169.db2.gz JUMRYIVLCTYBNJ-STQMWFEESA-N 1 0 349.391 -1.210 20 0 EAADRO NC(=O)c1ccnc(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051956497 672862938 /nfs/dbraw/zinc/86/29/38/672862938.db2.gz OUKNWWWZYWHSSI-NEPJUHHUSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ccnc(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051956498 672863134 /nfs/dbraw/zinc/86/31/34/672863134.db2.gz OUKNWWWZYWHSSI-NWDGAFQWSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ccnc(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001051956499 672862838 /nfs/dbraw/zinc/86/28/38/672862838.db2.gz OUKNWWWZYWHSSI-RYUDHWBXSA-N 1 0 347.375 -1.500 20 0 EAADRO NC(=O)c1ccnc(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001051956500 672863162 /nfs/dbraw/zinc/86/31/62/672863162.db2.gz OUKNWWWZYWHSSI-VXGBXAGGSA-N 1 0 347.375 -1.500 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)CCO2)n1 ZINC001051956713 672862925 /nfs/dbraw/zinc/86/29/25/672862925.db2.gz RWLXESQVJHPJBW-AAEUAGOBSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)CCO2)n1 ZINC001051956714 672863144 /nfs/dbraw/zinc/86/31/44/672863144.db2.gz RWLXESQVJHPJBW-DGCLKSJQSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)CCO2)n1 ZINC001051956715 672862738 /nfs/dbraw/zinc/86/27/38/672862738.db2.gz RWLXESQVJHPJBW-WCQYABFASA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)CCO2)n1 ZINC001051956716 672862904 /nfs/dbraw/zinc/86/29/04/672862904.db2.gz RWLXESQVJHPJBW-YPMHNXCESA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001051956887 672863088 /nfs/dbraw/zinc/86/30/88/672863088.db2.gz WJBCAVCRURWURS-AAEUAGOBSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001051956888 672862825 /nfs/dbraw/zinc/86/28/25/672862825.db2.gz WJBCAVCRURWURS-DGCLKSJQSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001051956889 672862849 /nfs/dbraw/zinc/86/28/49/672862849.db2.gz WJBCAVCRURWURS-WCQYABFASA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001051956890 672863020 /nfs/dbraw/zinc/86/30/20/672863020.db2.gz WJBCAVCRURWURS-YPMHNXCESA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001051956951 672862816 /nfs/dbraw/zinc/86/28/16/672862816.db2.gz YDAGTRNLFNTYPT-NEPJUHHUSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001051956952 672862755 /nfs/dbraw/zinc/86/27/55/672862755.db2.gz YDAGTRNLFNTYPT-NWDGAFQWSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001051956953 672863225 /nfs/dbraw/zinc/86/32/25/672863225.db2.gz YDAGTRNLFNTYPT-RYUDHWBXSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001051956954 672862916 /nfs/dbraw/zinc/86/29/16/672862916.db2.gz YDAGTRNLFNTYPT-VXGBXAGGSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001051957110 672863575 /nfs/dbraw/zinc/86/35/75/672863575.db2.gz ZUVKCRFQBYUPHF-AAEUAGOBSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001051957111 672863393 /nfs/dbraw/zinc/86/33/93/672863393.db2.gz ZUVKCRFQBYUPHF-DGCLKSJQSA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001051957112 672863808 /nfs/dbraw/zinc/86/38/08/672863808.db2.gz ZUVKCRFQBYUPHF-WCQYABFASA-N 1 0 349.391 -1.210 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001051957113 672863502 /nfs/dbraw/zinc/86/35/02/672863502.db2.gz ZUVKCRFQBYUPHF-YPMHNXCESA-N 1 0 349.391 -1.210 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001051977595 672863861 /nfs/dbraw/zinc/86/38/61/672863861.db2.gz CSBUBJNMRATYDF-CABCVRRESA-N 1 0 349.439 -1.072 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001051977596 672863513 /nfs/dbraw/zinc/86/35/13/672863513.db2.gz CSBUBJNMRATYDF-GJZGRUSLSA-N 1 0 349.439 -1.072 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@@H](N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001051977597 672863726 /nfs/dbraw/zinc/86/37/26/672863726.db2.gz CSBUBJNMRATYDF-HUUCEWRRSA-N 1 0 349.439 -1.072 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@@H](N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001051977598 672863621 /nfs/dbraw/zinc/86/36/21/672863621.db2.gz CSBUBJNMRATYDF-LSDHHAIUSA-N 1 0 349.439 -1.072 20 0 EAADRO COC[C@H](C)[NH+]1CCN([C@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 ZINC001051977946 672863556 /nfs/dbraw/zinc/86/35/56/672863556.db2.gz KPOMCHNBOVNWQQ-KBPBESRZSA-N 1 0 337.428 -1.074 20 0 EAADRO COC[C@@H](C)[NH+]1CCN([C@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 ZINC001051977947 672863873 /nfs/dbraw/zinc/86/38/73/672863873.db2.gz KPOMCHNBOVNWQQ-KGLIPLIRSA-N 1 0 337.428 -1.074 20 0 EAADRO 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O=C([C@@H]1CNC(=O)N1)N1CC[C@H](N2CC[NH+](CCCO)CC2)C1 ZINC001052073685 672873856 /nfs/dbraw/zinc/87/38/56/672873856.db2.gz MAQDZBRWQMASDG-STQMWFEESA-N 1 0 325.413 -1.731 20 0 EAADRO COCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001052073811 672874130 /nfs/dbraw/zinc/87/41/30/672874130.db2.gz PGZWSNRTRGQQAL-CHWSQXEVSA-N 1 0 325.413 -1.467 20 0 EAADRO COCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001052073812 672874054 /nfs/dbraw/zinc/87/40/54/672874054.db2.gz PGZWSNRTRGQQAL-OLZOCXBDSA-N 1 0 325.413 -1.467 20 0 EAADRO COCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001052073813 672873919 /nfs/dbraw/zinc/87/39/19/672873919.db2.gz PGZWSNRTRGQQAL-QWHCGFSZSA-N 1 0 325.413 -1.467 20 0 EAADRO COCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001052073814 672873977 /nfs/dbraw/zinc/87/39/77/672873977.db2.gz PGZWSNRTRGQQAL-STQMWFEESA-N 1 0 325.413 -1.467 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)C1 ZINC001052074359 672874614 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-1.334 20 0 EAADRO Cn1nccc1CC[NH+]1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001052074576 672874408 /nfs/dbraw/zinc/87/44/08/672874408.db2.gz HJQBTOWBBPFKMF-AWEZNQCLSA-N 1 0 334.424 -1.334 20 0 EAADRO Cn1nccc1CC[NH+]1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001052074577 672874686 /nfs/dbraw/zinc/87/46/86/672874686.db2.gz HJQBTOWBBPFKMF-CQSZACIVSA-N 1 0 334.424 -1.334 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)n1 ZINC001052081786 672875351 /nfs/dbraw/zinc/87/53/51/672875351.db2.gz GRNGCSQLGRBYKH-HNNXBMFYSA-N 1 0 336.440 -1.042 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)n1 ZINC001052081789 672875276 /nfs/dbraw/zinc/87/52/76/672875276.db2.gz GRNGCSQLGRBYKH-OAHLLOKOSA-N 1 0 336.440 -1.042 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)[nH]1 ZINC001052083141 672876091 /nfs/dbraw/zinc/87/60/91/672876091.db2.gz KKCDDYYNVADAIY-GFCCVEGCSA-N 1 0 335.408 -1.062 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)[nH]1 ZINC001052083142 672875806 /nfs/dbraw/zinc/87/58/06/672875806.db2.gz KKCDDYYNVADAIY-LBPRGKRZSA-N 1 0 335.408 -1.062 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052083520 672875882 /nfs/dbraw/zinc/87/58/82/672875882.db2.gz MNJRQQIPCZLXSC-KFWWJZLASA-N 1 0 338.452 -1.079 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052083521 672875937 /nfs/dbraw/zinc/87/59/37/672875937.db2.gz MNJRQQIPCZLXSC-ZNMIVQPWSA-N 1 0 338.452 -1.079 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)O1 ZINC001052083558 672876003 /nfs/dbraw/zinc/87/60/03/672876003.db2.gz NBFSQIPKGFOKKZ-HZSPNIEDSA-N 1 0 340.424 -1.770 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)O1 ZINC001052083559 672875976 /nfs/dbraw/zinc/87/59/76/672875976.db2.gz NBFSQIPKGFOKKZ-MELADBBJSA-N 1 0 340.424 -1.770 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052090999 672875846 /nfs/dbraw/zinc/87/58/46/672875846.db2.gz BEOHCSNRENUMDD-NEPJUHHUSA-N 1 0 339.396 -2.205 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052091000 672876028 /nfs/dbraw/zinc/87/60/28/672876028.db2.gz BEOHCSNRENUMDD-RYUDHWBXSA-N 1 0 339.396 -2.205 20 0 EAADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)CC1 ZINC001052091348 672875984 /nfs/dbraw/zinc/87/59/84/672875984.db2.gz AQPGTTFBRXGYOI-CYBMUJFWSA-N 1 0 349.435 -1.064 20 0 EAADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)CC1 ZINC001052091349 672875862 /nfs/dbraw/zinc/87/58/62/672875862.db2.gz AQPGTTFBRXGYOI-ZDUSSCGKSA-N 1 0 349.435 -1.064 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052098336 672876226 /nfs/dbraw/zinc/87/62/26/672876226.db2.gz IHDLGDRUEFTHMP-CYBMUJFWSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052098338 672876452 /nfs/dbraw/zinc/87/64/52/672876452.db2.gz IHDLGDRUEFTHMP-ZDUSSCGKSA-N 1 0 338.408 -1.750 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)c1 ZINC001052098991 672876874 /nfs/dbraw/zinc/87/68/74/672876874.db2.gz DUZMKHCKSGKWIY-CYBMUJFWSA-N 1 0 335.408 -1.062 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)c1 ZINC001052098992 672877332 /nfs/dbraw/zinc/87/73/32/672877332.db2.gz DUZMKHCKSGKWIY-ZDUSSCGKSA-N 1 0 335.408 -1.062 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052099260 672877148 /nfs/dbraw/zinc/87/71/48/672877148.db2.gz WZDAEDSFBKIXEQ-GFCCVEGCSA-N 1 0 339.396 -2.251 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052099261 672877188 /nfs/dbraw/zinc/87/71/88/672877188.db2.gz WZDAEDSFBKIXEQ-LBPRGKRZSA-N 1 0 339.396 -2.251 20 0 EAADRO O=C(c1nc2ncccn2n1)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052099737 672877197 /nfs/dbraw/zinc/87/71/97/672877197.db2.gz PFEBVGSQYRGRKJ-CYBMUJFWSA-N 1 0 345.407 -1.051 20 0 EAADRO O=C(c1nc2ncccn2n1)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052099738 672877200 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O=C(CCn1cnnn1)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1 ZINC001052100756 672877124 /nfs/dbraw/zinc/87/71/24/672877124.db2.gz IBKAUBIQECSRKE-CQSZACIVSA-N 1 0 337.428 -1.336 20 0 EAADRO COCC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cnnn3)C2)CC1 ZINC001052101402 672877708 /nfs/dbraw/zinc/87/77/08/672877708.db2.gz PJBTUPFGSJVRQE-AWEZNQCLSA-N 1 0 337.428 -1.072 20 0 EAADRO COCC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cnnn3)C2)CC1 ZINC001052101403 672877525 /nfs/dbraw/zinc/87/75/25/672877525.db2.gz PJBTUPFGSJVRQE-CQSZACIVSA-N 1 0 337.428 -1.072 20 0 EAADRO O=C(CCn1cnccc1=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052102609 672877751 /nfs/dbraw/zinc/87/77/51/672877751.db2.gz FQLLCGWXCSJPEQ-HNNXBMFYSA-N 1 0 349.435 -1.156 20 0 EAADRO O=C(CCn1cnccc1=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052102610 672877928 /nfs/dbraw/zinc/87/79/28/672877928.db2.gz FQLLCGWXCSJPEQ-OAHLLOKOSA-N 1 0 349.435 -1.156 20 0 EAADRO NC(=O)CN1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109101 672878401 /nfs/dbraw/zinc/87/84/01/672878401.db2.gz 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C[C@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)CC1 ZINC001052113969 672879307 /nfs/dbraw/zinc/87/93/07/672879307.db2.gz GADWZOYKINQRKJ-KBPBESRZSA-N 1 0 349.435 -1.007 20 0 EAADRO C[C@@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)CC1 ZINC001052113970 672878713 /nfs/dbraw/zinc/87/87/13/672878713.db2.gz GADWZOYKINQRKJ-KGLIPLIRSA-N 1 0 349.435 -1.007 20 0 EAADRO C[C@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)CC1 ZINC001052113974 672878856 /nfs/dbraw/zinc/87/88/56/672878856.db2.gz GADWZOYKINQRKJ-UONOGXRCSA-N 1 0 349.435 -1.007 20 0 EAADRO C[C@@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)CC1 ZINC001052113978 672879210 /nfs/dbraw/zinc/87/92/10/672879210.db2.gz GADWZOYKINQRKJ-ZIAGYGMSSA-N 1 0 349.435 -1.007 20 0 EAADRO Cn1nc(C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)ccc1=O ZINC001052114246 672878885 /nfs/dbraw/zinc/87/88/85/672878885.db2.gz IYIJEKINZDBFCW-AWEZNQCLSA-N 1 0 349.435 -1.005 20 0 EAADRO Cn1nc(C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)ccc1=O ZINC001052114248 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EAADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001052117242 672879614 /nfs/dbraw/zinc/87/96/14/672879614.db2.gz CDGLDDQSCXWXET-OLZOCXBDSA-N 1 0 330.454 -1.084 20 0 EAADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001052117243 672879913 /nfs/dbraw/zinc/87/99/13/672879913.db2.gz CDGLDDQSCXWXET-QWHCGFSZSA-N 1 0 330.454 -1.084 20 0 EAADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001052117244 672879729 /nfs/dbraw/zinc/87/97/29/672879729.db2.gz CDGLDDQSCXWXET-STQMWFEESA-N 1 0 330.454 -1.084 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052117477 672880050 /nfs/dbraw/zinc/88/00/50/672880050.db2.gz PSXRYTMTJJWYEW-GFCCVEGCSA-N 1 0 348.407 -1.600 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052117478 672879945 /nfs/dbraw/zinc/87/99/45/672879945.db2.gz PSXRYTMTJJWYEW-LBPRGKRZSA-N 1 0 348.407 -1.600 20 0 EAADRO CNC(=O)CN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117581 672879925 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ZINC001052122252 672881172 /nfs/dbraw/zinc/88/11/72/672881172.db2.gz PXOVWFHGAUKMMJ-ZDUSSCGKSA-N 1 0 337.424 -1.452 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052123998 672881112 /nfs/dbraw/zinc/88/11/12/672881112.db2.gz WTAORJWAWNZDGN-KBPBESRZSA-N 1 0 339.440 -1.260 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052123999 672881224 /nfs/dbraw/zinc/88/12/24/672881224.db2.gz WTAORJWAWNZDGN-KGLIPLIRSA-N 1 0 339.440 -1.260 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)nn1 ZINC001052125241 672881055 /nfs/dbraw/zinc/88/10/55/672881055.db2.gz MNTRTMXTPIWSSL-HNNXBMFYSA-N 1 0 336.440 -1.042 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)nn1 ZINC001052125242 672881148 /nfs/dbraw/zinc/88/11/48/672881148.db2.gz MNTRTMXTPIWSSL-OAHLLOKOSA-N 1 0 336.440 -1.042 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052126061 672881261 /nfs/dbraw/zinc/88/12/61/672881261.db2.gz GZLHFWOKQCIDGS-CHWSQXEVSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052126062 672881003 /nfs/dbraw/zinc/88/10/03/672881003.db2.gz GZLHFWOKQCIDGS-OLZOCXBDSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052126063 672881234 /nfs/dbraw/zinc/88/12/34/672881234.db2.gz GZLHFWOKQCIDGS-QWHCGFSZSA-N 1 0 338.408 -1.750 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052126064 672881131 /nfs/dbraw/zinc/88/11/31/672881131.db2.gz GZLHFWOKQCIDGS-STQMWFEESA-N 1 0 338.408 -1.750 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1)N1CCOCC1 ZINC001052131344 672881574 /nfs/dbraw/zinc/88/15/74/672881574.db2.gz OILGEBBDBAOERL-HOTGVXAUSA-N 1 0 340.468 -1.082 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1)N1CCOCC1 ZINC001052131345 672881686 /nfs/dbraw/zinc/88/16/86/672881686.db2.gz OILGEBBDBAOERL-JKSUJKDBSA-N 1 0 340.468 -1.082 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001052184580 672881617 /nfs/dbraw/zinc/88/16/17/672881617.db2.gz NFDHGQIGTUDRJX-GHMZBOCLSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001052184581 672881528 /nfs/dbraw/zinc/88/15/28/672881528.db2.gz NFDHGQIGTUDRJX-MNOVXSKESA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001052184582 672882149 /nfs/dbraw/zinc/88/21/49/672882149.db2.gz NFDHGQIGTUDRJX-QWRGUYRKSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001052184583 672881902 /nfs/dbraw/zinc/88/19/02/672881902.db2.gz NFDHGQIGTUDRJX-WDEREUQCSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC001052187467 672882050 /nfs/dbraw/zinc/88/20/50/672882050.db2.gz NSPAZYAQGMYTFN-GFCCVEGCSA-N 1 0 336.400 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC001052187471 672881924 /nfs/dbraw/zinc/88/19/24/672881924.db2.gz NSPAZYAQGMYTFN-LBPRGKRZSA-N 1 0 336.400 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)CC1 ZINC001052188595 672882008 /nfs/dbraw/zinc/88/20/08/672882008.db2.gz SPLIVCIVCQPSAD-GFCCVEGCSA-N 1 0 349.395 -1.207 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)CC1 ZINC001052188596 672882031 /nfs/dbraw/zinc/88/20/31/672882031.db2.gz SPLIVCIVCQPSAD-LBPRGKRZSA-N 1 0 349.395 -1.207 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001052190290 672881930 /nfs/dbraw/zinc/88/19/30/672881930.db2.gz JVFJDJSSKHNZAG-KBPBESRZSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001052190292 672881855 /nfs/dbraw/zinc/88/18/55/672881855.db2.gz JVFJDJSSKHNZAG-KGLIPLIRSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001052190294 672882038 /nfs/dbraw/zinc/88/20/38/672882038.db2.gz JVFJDJSSKHNZAG-UONOGXRCSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001052190295 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O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOC2(CN(CCO)C2)C1 ZINC001053263308 674119061 /nfs/dbraw/zinc/11/90/61/674119061.db2.gz KHOLPKJQMBVKIQ-KBPBESRZSA-N 1 0 325.409 -1.245 20 0 EAADRO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOC2(CN(CCO)C2)C1 ZINC001053263313 674119167 /nfs/dbraw/zinc/11/91/67/674119167.db2.gz KHOLPKJQMBVKIQ-KGLIPLIRSA-N 1 0 325.409 -1.245 20 0 EAADRO O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOC2(CN(CCO)C2)C1 ZINC001053263315 674119078 /nfs/dbraw/zinc/11/90/78/674119078.db2.gz KHOLPKJQMBVKIQ-UONOGXRCSA-N 1 0 325.409 -1.245 20 0 EAADRO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOC2(CN(CCO)C2)C1 ZINC001053263317 674119156 /nfs/dbraw/zinc/11/91/56/674119156.db2.gz KHOLPKJQMBVKIQ-ZIAGYGMSSA-N 1 0 325.409 -1.245 20 0 EAADRO NC(=O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263556 674119481 /nfs/dbraw/zinc/11/94/81/674119481.db2.gz OXCMYHCZYBKMDV-CHWSQXEVSA-N 1 0 338.408 -1.752 20 0 EAADRO NC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263557 674119408 /nfs/dbraw/zinc/11/94/08/674119408.db2.gz OXCMYHCZYBKMDV-OLZOCXBDSA-N 1 0 338.408 -1.752 20 0 EAADRO NC(=O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263558 674119432 /nfs/dbraw/zinc/11/94/32/674119432.db2.gz OXCMYHCZYBKMDV-QWHCGFSZSA-N 1 0 338.408 -1.752 20 0 EAADRO NC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263559 674119445 /nfs/dbraw/zinc/11/94/45/674119445.db2.gz OXCMYHCZYBKMDV-STQMWFEESA-N 1 0 338.408 -1.752 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCOC3(CN(Cc4nnn(C)n4)C3)C2)CC[N@@H+]1C ZINC001053264078 674119399 /nfs/dbraw/zinc/11/93/99/674119399.db2.gz FRGUDEUAMWEUTA-CHWSQXEVSA-N 1 0 349.439 -1.037 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCOC3(CN(Cc4nnnn4C)C3)C2)CC[N@@H+]1C ZINC001053264215 674119314 /nfs/dbraw/zinc/11/93/14/674119314.db2.gz GYDRBHOYGLSGHB-CHWSQXEVSA-N 1 0 349.439 -1.037 20 0 EAADRO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1CNC(=O)C(N)=O ZINC001053273774 674119775 /nfs/dbraw/zinc/11/97/75/674119775.db2.gz QTUBCBUCEFJYRT-NEPJUHHUSA-N 1 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ZINC001053286886 674120826 /nfs/dbraw/zinc/12/08/26/674120826.db2.gz GWWKUZMYYSCMPX-AWEZNQCLSA-N 1 0 349.439 -1.037 20 0 EAADRO Cn1nnc(CN2CC3(C2)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO3)n1 ZINC001053286887 674121015 /nfs/dbraw/zinc/12/10/15/674121015.db2.gz GWWKUZMYYSCMPX-CQSZACIVSA-N 1 0 349.439 -1.037 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001053300666 674122423 /nfs/dbraw/zinc/12/24/23/674122423.db2.gz RBMLREGCCCMJHQ-NEPJUHHUSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001053300668 674122352 /nfs/dbraw/zinc/12/23/52/674122352.db2.gz RBMLREGCCCMJHQ-NWDGAFQWSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001053300669 674122375 /nfs/dbraw/zinc/12/23/75/674122375.db2.gz RBMLREGCCCMJHQ-RYUDHWBXSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001053300670 674122358 /nfs/dbraw/zinc/12/23/58/674122358.db2.gz RBMLREGCCCMJHQ-VXGBXAGGSA-N 1 0 340.424 -1.207 20 0 EAADRO CC[C@H](C(=O)N1CCOC2(CN(Cc3nnn(C)n3)C2)C1)[NH+](C)C ZINC001053305581 674122699 /nfs/dbraw/zinc/12/26/99/674122699.db2.gz CKIFSSDQVDEFGG-GFCCVEGCSA-N 1 0 337.428 -1.037 20 0 EAADRO CC[C@H](C(=O)N1CCOC2(CN(Cc3nnnn3C)C2)C1)[NH+](C)C ZINC001053306460 674122780 /nfs/dbraw/zinc/12/27/80/674122780.db2.gz OUKLFTFOIWRBDK-GFCCVEGCSA-N 1 0 337.428 -1.037 20 0 EAADRO O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCOC2(CN(CCO)C2)C1 ZINC001053347563 674126087 /nfs/dbraw/zinc/12/60/87/674126087.db2.gz KWNUGJJFHVVFDP-BBBYJDLNSA-N 1 0 337.420 -1.245 20 0 EAADRO O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCOC2(CN(CCO)C2)C1 ZINC001053347564 674126118 /nfs/dbraw/zinc/12/61/18/674126118.db2.gz KWNUGJJFHVVFDP-NPCAHTBFSA-N 1 0 337.420 -1.245 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001053354918 674126485 /nfs/dbraw/zinc/12/64/85/674126485.db2.gz BBFWBXYBROUUKE-NEPJUHHUSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053354920 674126404 /nfs/dbraw/zinc/12/64/04/674126404.db2.gz BBFWBXYBROUUKE-NWDGAFQWSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053354922 674126553 /nfs/dbraw/zinc/12/65/53/674126553.db2.gz BBFWBXYBROUUKE-RYUDHWBXSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001053354924 674126540 /nfs/dbraw/zinc/12/65/40/674126540.db2.gz BBFWBXYBROUUKE-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO Cn1nnc(CN2CC3(C2)CN(C(=O)C2CC[NH+](C)CC2)CCO3)n1 ZINC001053405867 674130681 /nfs/dbraw/zinc/13/06/81/674130681.db2.gz VIZVXZFYPMKNIQ-UHFFFAOYSA-N 1 0 349.439 -1.035 20 0 EAADRO Cn1nnnc1CN1CC2(C1)CN(C(=O)C1CC[NH+](C)CC1)CCO2 ZINC001053405932 674130769 /nfs/dbraw/zinc/13/07/69/674130769.db2.gz ZXJUMYZOVXENNK-UHFFFAOYSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCOC3(CN(Cc4nnn(C)n4)C3)C2)C1 ZINC001053429085 674131233 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1 0 349.439 -1.179 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCOC3(CN(Cc4nnnn4C)C3)C2)C1 ZINC001053429732 674131471 /nfs/dbraw/zinc/13/14/71/674131471.db2.gz VSPSKNZYMYGBEE-CYBMUJFWSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCOC3(CN(Cc4nnnn4C)C3)C2)C1 ZINC001053429733 674131427 /nfs/dbraw/zinc/13/14/27/674131427.db2.gz VSPSKNZYMYGBEE-ZDUSSCGKSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOC2(CN(Cc3nnnn3C)C2)C1 ZINC001053429801 674131298 /nfs/dbraw/zinc/13/12/98/674131298.db2.gz XYGFRFGYAWKWIZ-CHWSQXEVSA-N 1 0 349.439 -1.179 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOC2(CN(Cc3nnnn3C)C2)C1 ZINC001053429802 674131413 /nfs/dbraw/zinc/13/14/13/674131413.db2.gz XYGFRFGYAWKWIZ-OLZOCXBDSA-N 1 0 349.439 -1.179 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOC2(CN(Cc3nnnn3C)C2)C1 ZINC001053429803 674131313 /nfs/dbraw/zinc/13/13/13/674131313.db2.gz XYGFRFGYAWKWIZ-QWHCGFSZSA-N 1 0 349.439 -1.179 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOC2(CN(Cc3nnnn3C)C2)C1 ZINC001053429804 674131352 /nfs/dbraw/zinc/13/13/52/674131352.db2.gz XYGFRFGYAWKWIZ-STQMWFEESA-N 1 0 349.439 -1.179 20 0 EAADRO CC[C@@H](C(=O)N1CCOC2(CN(Cc3nnn(C)n3)C2)C1)[NH+](C)C ZINC001053430829 674131844 /nfs/dbraw/zinc/13/18/44/674131844.db2.gz CKIFSSDQVDEFGG-LBPRGKRZSA-N 1 0 337.428 -1.037 20 0 EAADRO CC[C@@H](C(=O)N1CCOC2(CN(Cc3nnnn3C)C2)C1)[NH+](C)C ZINC001053431865 674131697 /nfs/dbraw/zinc/13/16/97/674131697.db2.gz OUKLFTFOIWRBDK-LBPRGKRZSA-N 1 0 337.428 -1.037 20 0 EAADRO C[NH+](C)CCn1cc(C(=O)N2CCOC3(CN(CCO)C3)C2)cn1 ZINC001053466132 674133177 /nfs/dbraw/zinc/13/31/77/674133177.db2.gz LKZIJCOXTMHQPP-UHFFFAOYSA-N 1 0 337.424 -1.036 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCOC3(CN(CC(N)=O)C3)C2)CC1 ZINC001053487275 674136074 /nfs/dbraw/zinc/13/60/74/674136074.db2.gz IQMQFEJZRSJNSG-UHFFFAOYSA-N 1 0 340.424 -1.504 20 0 EAADRO Cn1nnnc1CN1CC2(C1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053506338 674137147 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/nfs/dbraw/zinc/13/96/31/674139631.db2.gz MBLPWPLVYXFNNY-LBPRGKRZSA-N 1 0 335.412 -1.425 20 0 EAADRO Cn1nnnc1CN1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053532565 674139930 /nfs/dbraw/zinc/13/99/30/674139930.db2.gz PVAXPERXJRCFQA-GFCCVEGCSA-N 1 0 335.412 -1.425 20 0 EAADRO Cn1nnnc1CN1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053532566 674139939 /nfs/dbraw/zinc/13/99/39/674139939.db2.gz PVAXPERXJRCFQA-LBPRGKRZSA-N 1 0 335.412 -1.425 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCOC2(CN(CCO)C2)C1 ZINC001053533117 674140049 /nfs/dbraw/zinc/14/00/49/674140049.db2.gz ODZFCYFILTVLGF-AWEZNQCLSA-N 1 0 327.425 -1.140 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCOC2(CN(CCO)C2)C1 ZINC001053533118 674140001 /nfs/dbraw/zinc/14/00/01/674140001.db2.gz ODZFCYFILTVLGF-CQSZACIVSA-N 1 0 327.425 -1.140 20 0 EAADRO Cn1nnc(CN2CC3(C2)CN(C(=O)C[NH+]2CCCC2)CCO3)n1 ZINC001053533290 674139917 /nfs/dbraw/zinc/13/99/17/674139917.db2.gz DRXVRNQFHWOSMP-UHFFFAOYSA-N 1 0 335.412 -1.281 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053533598 674139963 /nfs/dbraw/zinc/13/99/63/674139963.db2.gz YNYZZBREMLBPQZ-CYBMUJFWSA-N 1 0 340.424 -1.647 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053533599 674139882 /nfs/dbraw/zinc/13/98/82/674139882.db2.gz YNYZZBREMLBPQZ-ZDUSSCGKSA-N 1 0 340.424 -1.647 20 0 EAADRO Cn1nnnc1CN1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001053533977 674139890 /nfs/dbraw/zinc/13/98/90/674139890.db2.gz NUBYFDVVZXDYCM-UHFFFAOYSA-N 1 0 335.412 -1.281 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@@H](NC(=O)Cn2cnnn2)CO3)cn1 ZINC001053732951 674146668 /nfs/dbraw/zinc/14/66/68/674146668.db2.gz JKJVGLIBNCWRES-CYBMUJFWSA-N 1 0 346.395 -1.391 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@H](NC(=O)Cn2cnnn2)CO3)cn1 ZINC001053732952 674146605 /nfs/dbraw/zinc/14/66/05/674146605.db2.gz JKJVGLIBNCWRES-ZDUSSCGKSA-N 1 0 346.395 -1.391 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733101 674146677 /nfs/dbraw/zinc/14/66/77/674146677.db2.gz MVOGNAZBJZKFAD-GFCCVEGCSA-N 1 0 346.395 -1.391 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733102 674146564 /nfs/dbraw/zinc/14/65/64/674146564.db2.gz MVOGNAZBJZKFAD-LBPRGKRZSA-N 1 0 346.395 -1.391 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053757708 674148093 /nfs/dbraw/zinc/14/80/93/674148093.db2.gz BXTQHVIJNGUAJE-NEPJUHHUSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053757709 674148117 /nfs/dbraw/zinc/14/81/17/674148117.db2.gz BXTQHVIJNGUAJE-NWDGAFQWSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053757710 674148035 /nfs/dbraw/zinc/14/80/35/674148035.db2.gz BXTQHVIJNGUAJE-RYUDHWBXSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053757711 674148028 /nfs/dbraw/zinc/14/80/28/674148028.db2.gz BXTQHVIJNGUAJE-VXGBXAGGSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CO3)n1 ZINC001053757934 674148124 /nfs/dbraw/zinc/14/81/24/674148124.db2.gz HPVMYSWKFHANLE-NEPJUHHUSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CO3)n1 ZINC001053757935 674148146 /nfs/dbraw/zinc/14/81/46/674148146.db2.gz HPVMYSWKFHANLE-NWDGAFQWSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CO3)n1 ZINC001053757936 674147999 /nfs/dbraw/zinc/14/79/99/674147999.db2.gz HPVMYSWKFHANLE-RYUDHWBXSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CO3)n1 ZINC001053757937 674148082 /nfs/dbraw/zinc/14/80/82/674148082.db2.gz HPVMYSWKFHANLE-VXGBXAGGSA-N 1 0 335.412 -1.236 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@@H](NC(=O)Cn2ncnn2)CO3)cn1 ZINC001053803222 674152840 /nfs/dbraw/zinc/15/28/40/674152840.db2.gz NBOUXARQTQCPFN-CYBMUJFWSA-N 1 0 346.395 -1.391 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@H](NC(=O)Cn2ncnn2)CO3)cn1 ZINC001053803223 674152874 /nfs/dbraw/zinc/15/28/74/674152874.db2.gz NBOUXARQTQCPFN-ZDUSSCGKSA-N 1 0 346.395 -1.391 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803290 674152813 /nfs/dbraw/zinc/15/28/13/674152813.db2.gz OWMYKPZZSRODPB-GFCCVEGCSA-N 1 0 346.395 -1.391 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803291 674152870 /nfs/dbraw/zinc/15/28/70/674152870.db2.gz OWMYKPZZSRODPB-LBPRGKRZSA-N 1 0 346.395 -1.391 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001053860636 674157605 /nfs/dbraw/zinc/15/76/05/674157605.db2.gz JEGIZYLYNKPAQP-CLLJXQQHSA-N 1 0 340.424 -1.064 20 0 EAADRO O=C(N[C@@H]1COC2(CN(CCO)C2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875714 674158282 /nfs/dbraw/zinc/15/82/82/674158282.db2.gz KKWRVFWWOWEOCS-IOSBVQAASA-N 1 0 337.420 -1.199 20 0 EAADRO O=C(N[C@H]1COC2(CN(CCO)C2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875715 674158429 /nfs/dbraw/zinc/15/84/29/674158429.db2.gz KKWRVFWWOWEOCS-IQXANGCESA-N 1 0 337.420 -1.199 20 0 EAADRO O=C(N[C@H]1COC2(CN(CCO)C2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875716 674158401 /nfs/dbraw/zinc/15/84/01/674158401.db2.gz KKWRVFWWOWEOCS-MYMJJRTCSA-N 1 0 337.420 -1.199 20 0 EAADRO O=C(N[C@@H]1COC2(CN(CCO)C2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875717 674158386 /nfs/dbraw/zinc/15/83/86/674158386.db2.gz KKWRVFWWOWEOCS-WJEHIRDRSA-N 1 0 337.420 -1.199 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2COC3(C[NH+](CCc4ccnn4C)C3)C2)n1 ZINC001053897472 674161069 /nfs/dbraw/zinc/16/10/69/674161069.db2.gz QRCZPWBZYWWZQR-LLVKDONJSA-N 1 0 346.395 -1.241 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2COC3(C[NH+](CCc4ccnn4C)C3)C2)n1 ZINC001053897473 674161081 /nfs/dbraw/zinc/16/10/81/674161081.db2.gz QRCZPWBZYWWZQR-NSHDSACASA-N 1 0 346.395 -1.241 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@@H](NC(=O)c2nnn(C)n2)CO3)cn1 ZINC001053897553 674160922 /nfs/dbraw/zinc/16/09/22/674160922.db2.gz SFAFEJVJWHCDPN-GFCCVEGCSA-N 1 0 346.395 -1.241 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@H](NC(=O)c2nnn(C)n2)CO3)cn1 ZINC001053897554 674161040 /nfs/dbraw/zinc/16/10/40/674161040.db2.gz SFAFEJVJWHCDPN-LBPRGKRZSA-N 1 0 346.395 -1.241 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@@H](NC(=O)[C@H]2CNC(=O)N2)CO3)cn1 ZINC001053909499 674162239 /nfs/dbraw/zinc/16/22/39/674162239.db2.gz GRUUGASMHJJLJY-CHWSQXEVSA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CO3)cn1 ZINC001053909501 674162195 /nfs/dbraw/zinc/16/21/95/674162195.db2.gz GRUUGASMHJJLJY-OLZOCXBDSA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@H](NC(=O)[C@H]2CNC(=O)N2)CO3)cn1 ZINC001053909502 674162156 /nfs/dbraw/zinc/16/21/56/674162156.db2.gz GRUUGASMHJJLJY-QWHCGFSZSA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1cc(CC[NH+]2CC3(C2)C[C@H](NC(=O)[C@@H]2CNC(=O)N2)CO3)cn1 ZINC001053909503 674162172 /nfs/dbraw/zinc/16/21/72/674162172.db2.gz GRUUGASMHJJLJY-STQMWFEESA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001053910454 674162593 /nfs/dbraw/zinc/16/25/93/674162593.db2.gz NISXTRJQBGJDCW-AAEUAGOBSA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001053910455 674162438 /nfs/dbraw/zinc/16/24/38/674162438.db2.gz NISXTRJQBGJDCW-DGCLKSJQSA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001053910456 674162442 /nfs/dbraw/zinc/16/24/42/674162442.db2.gz NISXTRJQBGJDCW-WCQYABFASA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1nccc1CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001053910457 674162542 /nfs/dbraw/zinc/16/25/42/674162542.db2.gz NISXTRJQBGJDCW-YPMHNXCESA-N 1 0 348.407 -1.397 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)C24CC[NH+](CC2)C4)CO3)n1 ZINC001053982715 674168962 /nfs/dbraw/zinc/16/89/62/674168962.db2.gz AOIINTRYLZGGTC-GFCCVEGCSA-N 1 0 347.423 -1.235 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)C24CC[NH+](CC2)C4)CO3)n1 ZINC001053982716 674168975 /nfs/dbraw/zinc/16/89/75/674168975.db2.gz AOIINTRYLZGGTC-LBPRGKRZSA-N 1 0 347.423 -1.235 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053982793 674168913 /nfs/dbraw/zinc/16/89/13/674168913.db2.gz BXCFZZRNRUBIBP-GFCCVEGCSA-N 1 0 347.423 -1.235 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053982794 674169070 /nfs/dbraw/zinc/16/90/70/674169070.db2.gz BXCFZZRNRUBIBP-LBPRGKRZSA-N 1 0 347.423 -1.235 20 0 EAADRO O=C(N[C@H]1COC2(CN([C@@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001053983923 674169388 /nfs/dbraw/zinc/16/93/88/674169388.db2.gz NBDBIZNNUFXRJF-CHWSQXEVSA-N 1 0 334.420 -1.070 20 0 EAADRO O=C(N[C@H]1COC2(CN([C@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001053983924 674169306 /nfs/dbraw/zinc/16/93/06/674169306.db2.gz NBDBIZNNUFXRJF-OLZOCXBDSA-N 1 0 334.420 -1.070 20 0 EAADRO O=C(N[C@@H]1COC2(CN([C@@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001053983925 674169344 /nfs/dbraw/zinc/16/93/44/674169344.db2.gz NBDBIZNNUFXRJF-QWHCGFSZSA-N 1 0 334.420 -1.070 20 0 EAADRO O=C(N[C@@H]1COC2(CN([C@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001053983926 674169385 /nfs/dbraw/zinc/16/93/85/674169385.db2.gz NBDBIZNNUFXRJF-STQMWFEESA-N 1 0 334.420 -1.070 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CO3)n1 ZINC001054007344 674171066 /nfs/dbraw/zinc/17/10/66/674171066.db2.gz CMZXJIGPCNBEDX-NEPJUHHUSA-N 1 0 335.412 -1.379 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CO3)n1 ZINC001054007345 674171290 /nfs/dbraw/zinc/17/12/90/674171290.db2.gz CMZXJIGPCNBEDX-NWDGAFQWSA-N 1 0 335.412 -1.379 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CO3)n1 ZINC001054007346 674171344 /nfs/dbraw/zinc/17/13/44/674171344.db2.gz CMZXJIGPCNBEDX-RYUDHWBXSA-N 1 0 335.412 -1.379 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CO3)n1 ZINC001054007347 674171131 /nfs/dbraw/zinc/17/11/31/674171131.db2.gz CMZXJIGPCNBEDX-VXGBXAGGSA-N 1 0 335.412 -1.379 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2COC3(CN(CCS(C)(=O)=O)C3)C2)C1 ZINC001054007637 674171333 /nfs/dbraw/zinc/17/13/33/674171333.db2.gz JNBWPTAVODSNEN-CHWSQXEVSA-N 1 0 345.465 -1.058 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(CN(CCS(C)(=O)=O)C3)C2)C1 ZINC001054007638 674171309 /nfs/dbraw/zinc/17/13/09/674171309.db2.gz JNBWPTAVODSNEN-OLZOCXBDSA-N 1 0 345.465 -1.058 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(CCS(C)(=O)=O)C3)C2)C1 ZINC001054007639 674171081 /nfs/dbraw/zinc/17/10/81/674171081.db2.gz JNBWPTAVODSNEN-QWHCGFSZSA-N 1 0 345.465 -1.058 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2COC3(CN(CCS(C)(=O)=O)C3)C2)C1 ZINC001054007640 674171237 /nfs/dbraw/zinc/17/12/37/674171237.db2.gz JNBWPTAVODSNEN-STQMWFEESA-N 1 0 345.465 -1.058 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007854 674171523 /nfs/dbraw/zinc/17/15/23/674171523.db2.gz NIYGAYPIEGQKQV-NEPJUHHUSA-N 1 0 335.412 -1.379 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007855 674171548 /nfs/dbraw/zinc/17/15/48/674171548.db2.gz NIYGAYPIEGQKQV-NWDGAFQWSA-N 1 0 335.412 -1.379 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007856 674171611 /nfs/dbraw/zinc/17/16/11/674171611.db2.gz NIYGAYPIEGQKQV-RYUDHWBXSA-N 1 0 335.412 -1.379 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007857 674171605 /nfs/dbraw/zinc/17/16/05/674171605.db2.gz NIYGAYPIEGQKQV-VXGBXAGGSA-N 1 0 335.412 -1.379 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)C[NH+]2CCCC2)CO3)n1 ZINC001054010607 674171625 /nfs/dbraw/zinc/17/16/25/674171625.db2.gz VGEAEUPYYDSZOM-GFCCVEGCSA-N 1 0 335.412 -1.235 20 0 EAADRO Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)C[NH+]2CCCC2)CO3)n1 ZINC001054010608 674171455 /nfs/dbraw/zinc/17/14/55/674171455.db2.gz VGEAEUPYYDSZOM-LBPRGKRZSA-N 1 0 335.412 -1.235 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054010615 674171670 /nfs/dbraw/zinc/17/16/70/674171670.db2.gz VIIPYJDVJOGZDP-GFCCVEGCSA-N 1 0 335.412 -1.235 20 0 EAADRO Cn1nnnc1CN1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054010616 674171503 /nfs/dbraw/zinc/17/15/03/674171503.db2.gz VIIPYJDVJOGZDP-LBPRGKRZSA-N 1 0 335.412 -1.235 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001054082068 674172953 /nfs/dbraw/zinc/17/29/53/674172953.db2.gz FANIOZIDDBGLAT-DOMZBBRYSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001054082069 674172851 /nfs/dbraw/zinc/17/28/51/674172851.db2.gz FANIOZIDDBGLAT-IUODEOHRSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001054082070 674173361 /nfs/dbraw/zinc/17/33/61/674173361.db2.gz FANIOZIDDBGLAT-SWLSCSKDSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CCC[C@@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001054082071 674173443 /nfs/dbraw/zinc/17/34/43/674173443.db2.gz FANIOZIDDBGLAT-WFASDCNBSA-N 1 0 333.396 -1.124 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001054105665 674173256 /nfs/dbraw/zinc/17/32/56/674173256.db2.gz ADKFUPRLQPNGEJ-BDJLRTHQSA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001054105666 674173141 /nfs/dbraw/zinc/17/31/41/674173141.db2.gz ADKFUPRLQPNGEJ-BZNIZROVSA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001054105667 674173477 /nfs/dbraw/zinc/17/34/77/674173477.db2.gz ADKFUPRLQPNGEJ-MEDUHNTESA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001054105668 674173532 /nfs/dbraw/zinc/17/35/32/674173532.db2.gz ADKFUPRLQPNGEJ-ZBEGNZNMSA-N 1 0 336.392 -1.019 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001054132964 674173306 /nfs/dbraw/zinc/17/33/06/674173306.db2.gz STQLWZFPBRFXJF-DOMZBBRYSA-N 1 0 333.396 -1.124 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001054132965 674173390 /nfs/dbraw/zinc/17/33/90/674173390.db2.gz STQLWZFPBRFXJF-IUODEOHRSA-N 1 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ZINC001054134013 674173217 /nfs/dbraw/zinc/17/32/17/674173217.db2.gz RWYBZERURMOVBU-OAHLLOKOSA-N 1 0 349.395 -1.823 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146293 674173335 /nfs/dbraw/zinc/17/33/35/674173335.db2.gz HPANJLREPDYMCQ-BONVTDFDSA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146295 674173513 /nfs/dbraw/zinc/17/35/13/674173513.db2.gz HPANJLREPDYMCQ-ZUZCIYMTSA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146936 674173194 /nfs/dbraw/zinc/17/31/94/674173194.db2.gz USLUEUCSOGWIQT-INIZCTEOSA-N 1 0 338.408 -1.355 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146937 674173421 /nfs/dbraw/zinc/17/34/21/674173421.db2.gz USLUEUCSOGWIQT-MRXNPFEDSA-N 1 0 338.408 -1.355 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)c1=O ZINC001054155869 674173519 /nfs/dbraw/zinc/17/35/19/674173519.db2.gz BZFKGCPZWMCWEY-HNNXBMFYSA-N 1 0 336.396 -1.618 20 0 EAADRO Cn1cnn(CC(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)c1=O ZINC001054155870 674173495 /nfs/dbraw/zinc/17/34/95/674173495.db2.gz BZFKGCPZWMCWEY-OAHLLOKOSA-N 1 0 336.396 -1.618 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160656 674173418 /nfs/dbraw/zinc/17/34/18/674173418.db2.gz KYRJJIGJNNRYSE-INIZCTEOSA-N 1 0 349.391 -1.251 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160657 674173281 /nfs/dbraw/zinc/17/32/81/674173281.db2.gz KYRJJIGJNNRYSE-MRXNPFEDSA-N 1 0 349.391 -1.251 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)c1=O ZINC001054173441 674173485 /nfs/dbraw/zinc/17/34/85/674173485.db2.gz BRMAQJALBGTVHK-INIZCTEOSA-N 1 0 349.391 -1.101 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)c1=O ZINC001054173442 674173407 /nfs/dbraw/zinc/17/34/07/674173407.db2.gz BRMAQJALBGTVHK-MRXNPFEDSA-N 1 0 349.391 -1.101 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175409 674173448 /nfs/dbraw/zinc/17/34/48/674173448.db2.gz MQGQNVHZRGWUKN-INIZCTEOSA-N 1 0 337.424 -1.782 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175410 674173506 /nfs/dbraw/zinc/17/35/06/674173506.db2.gz MQGQNVHZRGWUKN-MRXNPFEDSA-N 1 0 337.424 -1.782 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001054188283 674173459 /nfs/dbraw/zinc/17/34/59/674173459.db2.gz LFJGFLMFFIFSSG-INIZCTEOSA-N 1 0 338.408 -1.355 20 0 EAADRO NC(=O)C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001054188284 674173541 /nfs/dbraw/zinc/17/35/41/674173541.db2.gz LFJGFLMFFIFSSG-MRXNPFEDSA-N 1 0 338.408 -1.355 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001054190361 674173371 /nfs/dbraw/zinc/17/33/71/674173371.db2.gz HQNDUGZZSARBRR-HNNXBMFYSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)C(=O)N1CCC[C@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001054190362 674173471 /nfs/dbraw/zinc/17/34/71/674173471.db2.gz HQNDUGZZSARBRR-OAHLLOKOSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@]2(CC[N@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001054190899 674173183 /nfs/dbraw/zinc/17/31/83/674173183.db2.gz VCYSJAFKRGGFBL-INIZCTEOSA-N 1 0 336.392 -1.065 20 0 EAADRO NC(=O)C(=O)N1CCC[C@]2(CC[N@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001054190900 674173293 /nfs/dbraw/zinc/17/32/93/674173293.db2.gz VCYSJAFKRGGFBL-MRXNPFEDSA-N 1 0 336.392 -1.065 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197201 674173396 /nfs/dbraw/zinc/17/33/96/674173396.db2.gz UCBXSYZMRKGPHQ-HWWQOWPSSA-N 1 0 338.408 -1.181 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197202 674173466 /nfs/dbraw/zinc/17/34/66/674173466.db2.gz UCBXSYZMRKGPHQ-OZVIIMIRSA-N 1 0 338.408 -1.181 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054206644 674173799 /nfs/dbraw/zinc/17/37/99/674173799.db2.gz KVKBEGGALQPUNW-BONVTDFDSA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054206645 674173931 /nfs/dbraw/zinc/17/39/31/674173931.db2.gz KVKBEGGALQPUNW-ZUZCIYMTSA-N 1 0 337.380 -1.616 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054213454 674173897 /nfs/dbraw/zinc/17/38/97/674173897.db2.gz DFKBINHDRQWRTF-INIZCTEOSA-N 1 0 336.392 -1.161 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054213455 674173951 /nfs/dbraw/zinc/17/39/51/674173951.db2.gz DFKBINHDRQWRTF-MRXNPFEDSA-N 1 0 336.392 -1.161 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054215366 674173788 /nfs/dbraw/zinc/17/37/88/674173788.db2.gz TXBMUSZHIRRLJA-HNNXBMFYSA-N 1 0 337.380 -1.662 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054215367 674173819 /nfs/dbraw/zinc/17/38/19/674173819.db2.gz TXBMUSZHIRRLJA-OAHLLOKOSA-N 1 0 337.380 -1.662 20 0 EAADRO 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674173725 /nfs/dbraw/zinc/17/37/25/674173725.db2.gz XTKQMBRLEUJUKU-MRXNPFEDSA-N 1 0 349.391 -1.101 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054241956 674173838 /nfs/dbraw/zinc/17/38/38/674173838.db2.gz BRYUBYGWQZHPNX-BXUZGUMPSA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054241957 674173794 /nfs/dbraw/zinc/17/37/94/674173794.db2.gz BRYUBYGWQZHPNX-FZMZJTMJSA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054241958 674173880 /nfs/dbraw/zinc/17/38/80/674173880.db2.gz BRYUBYGWQZHPNX-RISCZKNCSA-N 1 0 344.437 -1.522 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054241959 674173763 /nfs/dbraw/zinc/17/37/63/674173763.db2.gz BRYUBYGWQZHPNX-SMDDNHRTSA-N 1 0 344.437 -1.522 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054242229 674173712 /nfs/dbraw/zinc/17/37/12/674173712.db2.gz ICESILGRTSSRID-GXTWGEPZSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054242230 674173786 /nfs/dbraw/zinc/17/37/86/674173786.db2.gz ICESILGRTSSRID-JSGCOSHPSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054242231 674173958 /nfs/dbraw/zinc/17/39/58/674173958.db2.gz ICESILGRTSSRID-OCCSQVGLSA-N 1 0 331.438 -1.015 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054242232 674173812 /nfs/dbraw/zinc/17/38/12/674173812.db2.gz ICESILGRTSSRID-TZMCWYRMSA-N 1 0 331.438 -1.015 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@]3(CC[N@H+](CCO)C3)C2)nn1 ZINC001054244970 674173720 /nfs/dbraw/zinc/17/37/20/674173720.db2.gz MFYKXGSGDNZLFB-HNNXBMFYSA-N 1 0 336.396 -1.316 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@]3(CC[N@H+](CCO)C3)C2)nn1 ZINC001054244971 674173743 /nfs/dbraw/zinc/17/37/43/674173743.db2.gz MFYKXGSGDNZLFB-OAHLLOKOSA-N 1 0 336.396 -1.316 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250655 674173804 /nfs/dbraw/zinc/17/38/04/674173804.db2.gz YKXVZJWUPNZUAM-BDJLRTHQSA-N 1 0 336.392 -1.161 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250656 674173758 /nfs/dbraw/zinc/17/37/58/674173758.db2.gz YKXVZJWUPNZUAM-BZNIZROVSA-N 1 0 336.392 -1.161 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250657 674173862 /nfs/dbraw/zinc/17/38/62/674173862.db2.gz YKXVZJWUPNZUAM-MEDUHNTESA-N 1 0 336.392 -1.161 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250658 674173962 /nfs/dbraw/zinc/17/39/62/674173962.db2.gz YKXVZJWUPNZUAM-ZBEGNZNMSA-N 1 0 336.392 -1.161 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001054296127 674173857 /nfs/dbraw/zinc/17/38/57/674173857.db2.gz CLMOBKHVDJHJLL-MXWKQRLJSA-N 1 0 337.380 -1.604 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001054296128 674173892 /nfs/dbraw/zinc/17/38/92/674173892.db2.gz CLMOBKHVDJHJLL-VWYCJHECSA-N 1 0 337.380 -1.604 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001054296142 674173774 /nfs/dbraw/zinc/17/37/74/674173774.db2.gz SQHIGWLWRIYSPW-MXWKQRLJSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001054296143 674173939 /nfs/dbraw/zinc/17/39/39/674173939.db2.gz SQHIGWLWRIYSPW-VWYCJHECSA-N 1 0 337.380 -1.556 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC001054296146 674173776 /nfs/dbraw/zinc/17/37/76/674173776.db2.gz VFGZGWZJFOFNKK-BBBLOLIVSA-N 1 0 325.369 -1.571 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC001054296147 674173798 /nfs/dbraw/zinc/17/37/98/674173798.db2.gz VFGZGWZJFOFNKK-UTLUCORTSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)C(N)=O ZINC001054296550 674173825 /nfs/dbraw/zinc/17/38/25/674173825.db2.gz DGKBKEACPXRGNO-FOGDFJRCSA-N 1 0 334.380 -1.180 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)C(N)=O ZINC001054296551 674173748 /nfs/dbraw/zinc/17/37/48/674173748.db2.gz DGKBKEACPXRGNO-UMNHJUIQSA-N 1 0 334.380 -1.180 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001054296552 674173783 /nfs/dbraw/zinc/17/37/83/674173783.db2.gz IANQCXDZMRLIMP-RTXFEEFZSA-N 1 0 346.391 -1.165 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001054296553 674173778 /nfs/dbraw/zinc/17/37/78/674173778.db2.gz IANQCXDZMRLIMP-WXHSDQCUSA-N 1 0 346.391 -1.165 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001054296562 674173793 /nfs/dbraw/zinc/17/37/93/674173793.db2.gz CLYFTGTWUYATJA-AXFHLTTASA-N 1 0 333.410 -2.139 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001054296563 674173969 /nfs/dbraw/zinc/17/39/69/674173969.db2.gz CLYFTGTWUYATJA-MXWKQRLJSA-N 1 0 333.410 -2.139 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001054296568 674174258 /nfs/dbraw/zinc/17/42/58/674174258.db2.gz OMLLJBNLFSXWHM-AEJSXWLSSA-N 1 0 346.409 -2.646 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001054296569 674174242 /nfs/dbraw/zinc/17/42/42/674174242.db2.gz OMLLJBNLFSXWHM-BBBLOLIVSA-N 1 0 346.409 -2.646 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001054297438 674174094 /nfs/dbraw/zinc/17/40/94/674174094.db2.gz JIFUDURHBSWAOT-UTUOFQBUSA-N 1 0 336.392 -1.007 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001054297439 674174091 /nfs/dbraw/zinc/17/40/91/674174091.db2.gz JIFUDURHBSWAOT-WOPDTQHZSA-N 1 0 336.392 -1.007 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001054297608 674174198 /nfs/dbraw/zinc/17/41/98/674174198.db2.gz JIFUDURHBSWAOT-GRYCIOLGSA-N 1 0 336.392 -1.007 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001054297609 674174211 /nfs/dbraw/zinc/17/42/11/674174211.db2.gz JIFUDURHBSWAOT-IJLUTSLNSA-N 1 0 336.392 -1.007 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001054298504 674174266 /nfs/dbraw/zinc/17/42/66/674174266.db2.gz MJLSVPQXMBMQMN-BBBLOLIVSA-N 1 0 325.369 -1.571 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001054298505 674174257 /nfs/dbraw/zinc/17/42/57/674174257.db2.gz MJLSVPQXMBMQMN-UTLUCORTSA-N 1 0 325.369 -1.571 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001054298510 674174141 /nfs/dbraw/zinc/17/41/41/674174141.db2.gz OPDLXXDADDAOJZ-MXWKQRLJSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001054298511 674174232 /nfs/dbraw/zinc/17/42/32/674174232.db2.gz OPDLXXDADDAOJZ-VWYCJHECSA-N 1 0 337.380 -1.556 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001054298512 674174149 /nfs/dbraw/zinc/17/41/49/674174149.db2.gz RMUZKDYWJYCXNP-MXWKQRLJSA-N 1 0 337.380 -1.604 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001054298513 674174282 /nfs/dbraw/zinc/17/42/82/674174282.db2.gz RMUZKDYWJYCXNP-VWYCJHECSA-N 1 0 337.380 -1.604 20 0 EAADRO COCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001054301660 674174236 /nfs/dbraw/zinc/17/42/36/674174236.db2.gz LUVXTLFQESIECF-GXTWGEPZSA-N 1 0 340.424 -1.240 20 0 EAADRO COCC(=O)N1C[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001054301661 674174286 /nfs/dbraw/zinc/17/42/86/674174286.db2.gz LUVXTLFQESIECF-JSGCOSHPSA-N 1 0 340.424 -1.240 20 0 EAADRO COCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001054301662 674174086 /nfs/dbraw/zinc/17/40/86/674174086.db2.gz LUVXTLFQESIECF-OCCSQVGLSA-N 1 0 340.424 -1.240 20 0 EAADRO COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001054301663 674174143 /nfs/dbraw/zinc/17/41/43/674174143.db2.gz LUVXTLFQESIECF-TZMCWYRMSA-N 1 0 340.424 -1.240 20 0 EAADRO COCC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC001054301732 674174213 /nfs/dbraw/zinc/17/42/13/674174213.db2.gz MNIHGSXJGQUGQX-AAEUAGOBSA-N 1 0 340.424 -1.207 20 0 EAADRO COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001054301733 674174176 /nfs/dbraw/zinc/17/41/76/674174176.db2.gz MNIHGSXJGQUGQX-DGCLKSJQSA-N 1 0 340.424 -1.207 20 0 EAADRO COCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001054301734 674174274 /nfs/dbraw/zinc/17/42/74/674174274.db2.gz MNIHGSXJGQUGQX-WCQYABFASA-N 1 0 340.424 -1.207 20 0 EAADRO COCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001054301735 674174223 /nfs/dbraw/zinc/17/42/23/674174223.db2.gz MNIHGSXJGQUGQX-YPMHNXCESA-N 1 0 340.424 -1.207 20 0 EAADRO CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC001054305127 674174194 /nfs/dbraw/zinc/17/41/94/674174194.db2.gz GNQIDUPRBQLMMW-AAEUAGOBSA-N 1 0 346.453 -1.453 20 0 EAADRO CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001054305128 674174136 /nfs/dbraw/zinc/17/41/36/674174136.db2.gz GNQIDUPRBQLMMW-DGCLKSJQSA-N 1 0 346.453 -1.453 20 0 EAADRO CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001054305129 674174216 /nfs/dbraw/zinc/17/42/16/674174216.db2.gz GNQIDUPRBQLMMW-WCQYABFASA-N 1 0 346.453 -1.453 20 0 EAADRO CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001054305130 674174130 /nfs/dbraw/zinc/17/41/30/674174130.db2.gz GNQIDUPRBQLMMW-YPMHNXCESA-N 1 0 346.453 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054348476 674174181 /nfs/dbraw/zinc/17/41/81/674174181.db2.gz JJQIGALGYWNBMS-AAEUAGOBSA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054348477 674174262 /nfs/dbraw/zinc/17/42/62/674174262.db2.gz JJQIGALGYWNBMS-DGCLKSJQSA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@H]1CN(C(=O)c2cnccn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054348478 674174228 /nfs/dbraw/zinc/17/42/28/674174228.db2.gz JJQIGALGYWNBMS-WCQYABFASA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054348479 674174097 /nfs/dbraw/zinc/17/40/97/674174097.db2.gz JJQIGALGYWNBMS-YPMHNXCESA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054357791 674174261 /nfs/dbraw/zinc/17/42/61/674174261.db2.gz VXBNMDNPRZZHJU-GHMZBOCLSA-N 1 0 338.364 -1.137 20 0 EAADRO C[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054357792 674174075 /nfs/dbraw/zinc/17/40/75/674174075.db2.gz VXBNMDNPRZZHJU-MNOVXSKESA-N 1 0 338.364 -1.137 20 0 EAADRO C[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054357793 674174081 /nfs/dbraw/zinc/17/40/81/674174081.db2.gz VXBNMDNPRZZHJU-QWRGUYRKSA-N 1 0 338.364 -1.137 20 0 EAADRO C[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054357794 674174226 /nfs/dbraw/zinc/17/42/26/674174226.db2.gz VXBNMDNPRZZHJU-WDEREUQCSA-N 1 0 338.364 -1.137 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054358687 674174120 /nfs/dbraw/zinc/17/41/20/674174120.db2.gz ICKVWUIOQPIRTE-PSASIEDQSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054358688 674174276 /nfs/dbraw/zinc/17/42/76/674174276.db2.gz ICKVWUIOQPIRTE-SCZZXKLOSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054358689 674174234 /nfs/dbraw/zinc/17/42/34/674174234.db2.gz ICKVWUIOQPIRTE-WCBMZHEXSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054358690 674174159 /nfs/dbraw/zinc/17/41/59/674174159.db2.gz ICKVWUIOQPIRTE-WPRPVWTQSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054358827 674174239 /nfs/dbraw/zinc/17/42/39/674174239.db2.gz KGQRLHZSAFJCHY-AAEUAGOBSA-N 1 0 347.375 -1.078 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054358828 674174209 /nfs/dbraw/zinc/17/42/09/674174209.db2.gz KGQRLHZSAFJCHY-DGCLKSJQSA-N 1 0 347.375 -1.078 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054358829 674174268 /nfs/dbraw/zinc/17/42/68/674174268.db2.gz KGQRLHZSAFJCHY-WCQYABFASA-N 1 0 347.375 -1.078 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054358830 674174085 /nfs/dbraw/zinc/17/40/85/674174085.db2.gz KGQRLHZSAFJCHY-YPMHNXCESA-N 1 0 347.375 -1.078 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054359276 674174201 /nfs/dbraw/zinc/17/42/01/674174201.db2.gz QCTSGEVCIAQSGQ-CMPLNLGQSA-N 1 0 332.364 -1.008 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054359277 674174245 /nfs/dbraw/zinc/17/42/45/674174245.db2.gz QCTSGEVCIAQSGQ-JQWIXIFHSA-N 1 0 332.364 -1.008 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054359278 674174108 /nfs/dbraw/zinc/17/41/08/674174108.db2.gz QCTSGEVCIAQSGQ-PWSUYJOCSA-N 1 0 332.364 -1.008 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054359279 674174164 /nfs/dbraw/zinc/17/41/64/674174164.db2.gz QCTSGEVCIAQSGQ-ZYHUDNBSSA-N 1 0 332.364 -1.008 20 0 EAADRO Cc1cc(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H](C)C2)no1 ZINC001054361227 674174103 /nfs/dbraw/zinc/17/41/03/674174103.db2.gz NHHYHPNQCYMZRN-GWCFXTLKSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)no1 ZINC001054361228 674174269 /nfs/dbraw/zinc/17/42/69/674174269.db2.gz NHHYHPNQCYMZRN-GXFFZTMASA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)no1 ZINC001054361229 674174078 /nfs/dbraw/zinc/17/40/78/674174078.db2.gz NHHYHPNQCYMZRN-MFKMUULPSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)no1 ZINC001054361230 674174220 /nfs/dbraw/zinc/17/42/20/674174220.db2.gz NHHYHPNQCYMZRN-ZWNOBZJWSA-N 1 0 349.391 -1.008 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054361812 674174265 /nfs/dbraw/zinc/17/42/65/674174265.db2.gz VJSOCERKXNQNSP-GXSJLCMTSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054361813 674174153 /nfs/dbraw/zinc/17/41/53/674174153.db2.gz VJSOCERKXNQNSP-KOLCDFICSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054361814 674174241 /nfs/dbraw/zinc/17/42/41/674174241.db2.gz VJSOCERKXNQNSP-MWLCHTKSSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054361815 674174255 /nfs/dbraw/zinc/17/42/55/674174255.db2.gz VJSOCERKXNQNSP-ONGXEEELSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054366175 674174549 /nfs/dbraw/zinc/17/45/49/674174549.db2.gz KARYRBKFCFPXLM-NEPJUHHUSA-N 1 0 337.384 -2.032 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054366187 674174522 /nfs/dbraw/zinc/17/45/22/674174522.db2.gz KARYRBKFCFPXLM-NWDGAFQWSA-N 1 0 337.384 -2.032 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054366189 674174601 /nfs/dbraw/zinc/17/46/01/674174601.db2.gz KARYRBKFCFPXLM-RYUDHWBXSA-N 1 0 337.384 -2.032 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054366191 674174509 /nfs/dbraw/zinc/17/45/09/674174509.db2.gz KARYRBKFCFPXLM-VXGBXAGGSA-N 1 0 337.384 -2.032 20 0 EAADRO CSCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054368026 674174618 /nfs/dbraw/zinc/17/46/18/674174618.db2.gz ZAIVSSSNAXLULN-GHMZBOCLSA-N 1 0 328.438 -1.256 20 0 EAADRO CSCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054368030 674174496 /nfs/dbraw/zinc/17/44/96/674174496.db2.gz ZAIVSSSNAXLULN-MNOVXSKESA-N 1 0 328.438 -1.256 20 0 EAADRO CSCC(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054368031 674174589 /nfs/dbraw/zinc/17/45/89/674174589.db2.gz ZAIVSSSNAXLULN-QWRGUYRKSA-N 1 0 328.438 -1.256 20 0 EAADRO CSCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054368033 674174673 /nfs/dbraw/zinc/17/46/73/674174673.db2.gz ZAIVSSSNAXLULN-WDEREUQCSA-N 1 0 328.438 -1.256 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054370522 674174527 /nfs/dbraw/zinc/17/45/27/674174527.db2.gz AAWKCZQATYIEEX-AAEUAGOBSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054370525 674174491 /nfs/dbraw/zinc/17/44/91/674174491.db2.gz AAWKCZQATYIEEX-DGCLKSJQSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054370526 674174516 /nfs/dbraw/zinc/17/45/16/674174516.db2.gz AAWKCZQATYIEEX-WCQYABFASA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054370527 674174606 /nfs/dbraw/zinc/17/46/06/674174606.db2.gz AAWKCZQATYIEEX-YPMHNXCESA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054373709 674174459 /nfs/dbraw/zinc/17/44/59/674174459.db2.gz KTKITBLUXUOZBS-GHMZBOCLSA-N 1 0 336.396 -1.333 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054373710 674174568 /nfs/dbraw/zinc/17/45/68/674174568.db2.gz KTKITBLUXUOZBS-MNOVXSKESA-N 1 0 336.396 -1.333 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054373711 674174499 /nfs/dbraw/zinc/17/44/99/674174499.db2.gz KTKITBLUXUOZBS-QWRGUYRKSA-N 1 0 336.396 -1.333 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054373712 674174504 /nfs/dbraw/zinc/17/45/04/674174504.db2.gz KTKITBLUXUOZBS-WDEREUQCSA-N 1 0 336.396 -1.333 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054373874 674174480 /nfs/dbraw/zinc/17/44/80/674174480.db2.gz MCEPYORVEJUFFK-GHMZBOCLSA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054373875 674174518 /nfs/dbraw/zinc/17/45/18/674174518.db2.gz MCEPYORVEJUFFK-MNOVXSKESA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054373876 674174663 /nfs/dbraw/zinc/17/46/63/674174663.db2.gz MCEPYORVEJUFFK-QWRGUYRKSA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054373877 674174503 /nfs/dbraw/zinc/17/45/03/674174503.db2.gz MCEPYORVEJUFFK-WDEREUQCSA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054375617 674174567 /nfs/dbraw/zinc/17/45/67/674174567.db2.gz YJLMPSDKGNKESM-NXEZZACHSA-N 1 0 336.356 -2.339 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054375622 674174489 /nfs/dbraw/zinc/17/44/89/674174489.db2.gz YJLMPSDKGNKESM-UWVGGRQHSA-N 1 0 336.356 -2.339 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054375625 674174511 /nfs/dbraw/zinc/17/45/11/674174511.db2.gz YJLMPSDKGNKESM-VHSXEESVSA-N 1 0 336.356 -2.339 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054375627 674174666 /nfs/dbraw/zinc/17/46/66/674174666.db2.gz YJLMPSDKGNKESM-ZJUUUORDSA-N 1 0 336.356 -2.339 20 0 EAADRO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)on1 ZINC001054376832 674174559 /nfs/dbraw/zinc/17/45/59/674174559.db2.gz BFONVHCRPIDTKZ-CMPLNLGQSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1cc(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H](C)C2)on1 ZINC001054376833 674174595 /nfs/dbraw/zinc/17/45/95/674174595.db2.gz BFONVHCRPIDTKZ-JQWIXIFHSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)on1 ZINC001054376834 674174519 /nfs/dbraw/zinc/17/45/19/674174519.db2.gz BFONVHCRPIDTKZ-PWSUYJOCSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)on1 ZINC001054376835 674174507 /nfs/dbraw/zinc/17/45/07/674174507.db2.gz BFONVHCRPIDTKZ-ZYHUDNBSSA-N 1 0 349.391 -1.008 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054383222 674174639 /nfs/dbraw/zinc/17/46/39/674174639.db2.gz NAFBFKXRWZNPKF-NEPJUHHUSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054383225 674174524 /nfs/dbraw/zinc/17/45/24/674174524.db2.gz NAFBFKXRWZNPKF-NWDGAFQWSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054383228 674174521 /nfs/dbraw/zinc/17/45/21/674174521.db2.gz NAFBFKXRWZNPKF-RYUDHWBXSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054383230 674174652 /nfs/dbraw/zinc/17/46/52/674174652.db2.gz NAFBFKXRWZNPKF-VXGBXAGGSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054385889 674174542 /nfs/dbraw/zinc/17/45/42/674174542.db2.gz QETOZZMVUSQDHL-CHWSQXEVSA-N 1 0 348.407 -1.722 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054385890 674174529 /nfs/dbraw/zinc/17/45/29/674174529.db2.gz QETOZZMVUSQDHL-OLZOCXBDSA-N 1 0 348.407 -1.722 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054385891 674174545 /nfs/dbraw/zinc/17/45/45/674174545.db2.gz QETOZZMVUSQDHL-QWHCGFSZSA-N 1 0 348.407 -1.722 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054385892 674174944 /nfs/dbraw/zinc/17/49/44/674174944.db2.gz QETOZZMVUSQDHL-STQMWFEESA-N 1 0 348.407 -1.722 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054386260 674174927 /nfs/dbraw/zinc/17/49/27/674174927.db2.gz TWPGJCYMGCFTEP-NEPJUHHUSA-N 1 0 334.380 -1.129 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054386261 674174840 /nfs/dbraw/zinc/17/48/40/674174840.db2.gz TWPGJCYMGCFTEP-NWDGAFQWSA-N 1 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C[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054395024 674175008 /nfs/dbraw/zinc/17/50/08/674175008.db2.gz UGGZYXJHFXPLAW-WDEREUQCSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054415690 674174996 /nfs/dbraw/zinc/17/49/96/674174996.db2.gz OBHFKEOPBHKOGY-CMPLNLGQSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054415710 674174964 /nfs/dbraw/zinc/17/49/64/674174964.db2.gz OBHFKEOPBHKOGY-JQWIXIFHSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054415716 674174786 /nfs/dbraw/zinc/17/47/86/674174786.db2.gz OBHFKEOPBHKOGY-PWSUYJOCSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054415717 674174804 /nfs/dbraw/zinc/17/48/04/674174804.db2.gz OBHFKEOPBHKOGY-ZYHUDNBSSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)c2ccon2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054425039 674174796 /nfs/dbraw/zinc/17/47/96/674174796.db2.gz DLPZJEDGXVFSQL-CMPLNLGQSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@H]1CN(C(=O)c2ccon2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054425052 674174791 /nfs/dbraw/zinc/17/47/91/674174791.db2.gz DLPZJEDGXVFSQL-JQWIXIFHSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054425053 674174836 /nfs/dbraw/zinc/17/48/36/674174836.db2.gz DLPZJEDGXVFSQL-PWSUYJOCSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054425054 674174932 /nfs/dbraw/zinc/17/49/32/674174932.db2.gz DLPZJEDGXVFSQL-ZYHUDNBSSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054430263 674174959 /nfs/dbraw/zinc/17/49/59/674174959.db2.gz ADKWVNRJWHNIDL-CMPLNLGQSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054430264 674174950 /nfs/dbraw/zinc/17/49/50/674174950.db2.gz ADKWVNRJWHNIDL-JQWIXIFHSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054430265 674174975 /nfs/dbraw/zinc/17/49/75/674174975.db2.gz ADKWVNRJWHNIDL-PWSUYJOCSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054430266 674174856 /nfs/dbraw/zinc/17/48/56/674174856.db2.gz ADKWVNRJWHNIDL-ZYHUDNBSSA-N 1 0 334.380 -1.582 20 0 EAADRO Cc1cc(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H](C)C2)[nH]n1 ZINC001054451893 674174810 /nfs/dbraw/zinc/17/48/10/674174810.db2.gz QOOCXKCUBIPNQY-GWCFXTLKSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)[nH]n1 ZINC001054451895 674175016 /nfs/dbraw/zinc/17/50/16/674175016.db2.gz QOOCXKCUBIPNQY-GXFFZTMASA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)[nH]n1 ZINC001054451897 674175036 /nfs/dbraw/zinc/17/50/36/674175036.db2.gz QOOCXKCUBIPNQY-MFKMUULPSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)[nH]n1 ZINC001054451898 674174915 /nfs/dbraw/zinc/17/49/15/674174915.db2.gz QOOCXKCUBIPNQY-ZWNOBZJWSA-N 1 0 348.407 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054452007 674174980 /nfs/dbraw/zinc/17/49/80/674174980.db2.gz SXZBYWBJMLTPFL-GHMZBOCLSA-N 1 0 345.421 -1.384 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054452008 674174784 /nfs/dbraw/zinc/17/47/84/674174784.db2.gz SXZBYWBJMLTPFL-MNOVXSKESA-N 1 0 345.421 -1.384 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054452009 674174782 /nfs/dbraw/zinc/17/47/82/674174782.db2.gz SXZBYWBJMLTPFL-QWRGUYRKSA-N 1 0 345.421 -1.384 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054452010 674174983 /nfs/dbraw/zinc/17/49/83/674174983.db2.gz SXZBYWBJMLTPFL-WDEREUQCSA-N 1 0 345.421 -1.384 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054460014 674175027 /nfs/dbraw/zinc/17/50/27/674175027.db2.gz JZYBYJLYABXWKG-NXEZZACHSA-N 1 0 346.409 -1.981 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054460015 674174902 /nfs/dbraw/zinc/17/49/02/674174902.db2.gz JZYBYJLYABXWKG-UWVGGRQHSA-N 1 0 346.409 -1.981 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054460016 674174955 /nfs/dbraw/zinc/17/49/55/674174955.db2.gz JZYBYJLYABXWKG-VHSXEESVSA-N 1 0 346.409 -1.981 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054460017 674174821 /nfs/dbraw/zinc/17/48/21/674174821.db2.gz JZYBYJLYABXWKG-ZJUUUORDSA-N 1 0 346.409 -1.981 20 0 EAADRO Cc1ocnc1C(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054460747 674174871 /nfs/dbraw/zinc/17/48/71/674174871.db2.gz ZOSMKPGAKQIJNN-CMPLNLGQSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1ocnc1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054460748 674175066 /nfs/dbraw/zinc/17/50/66/674175066.db2.gz ZOSMKPGAKQIJNN-JQWIXIFHSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1ocnc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054460749 674174890 /nfs/dbraw/zinc/17/48/90/674174890.db2.gz ZOSMKPGAKQIJNN-PWSUYJOCSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1ocnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054460751 674174822 /nfs/dbraw/zinc/17/48/22/674174822.db2.gz ZOSMKPGAKQIJNN-ZYHUDNBSSA-N 1 0 349.391 -1.008 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054463142 674174843 /nfs/dbraw/zinc/17/48/43/674174843.db2.gz XOFLWMPTESAAFR-GHMZBOCLSA-N 1 0 332.426 -1.507 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054463143 674174819 /nfs/dbraw/zinc/17/48/19/674174819.db2.gz XOFLWMPTESAAFR-MNOVXSKESA-N 1 0 332.426 -1.507 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054463144 674175025 /nfs/dbraw/zinc/17/50/25/674175025.db2.gz XOFLWMPTESAAFR-QWRGUYRKSA-N 1 0 332.426 -1.507 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054463145 674174802 /nfs/dbraw/zinc/17/48/02/674174802.db2.gz XOFLWMPTESAAFR-WDEREUQCSA-N 1 0 332.426 -1.507 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054463154 674174799 /nfs/dbraw/zinc/17/47/99/674174799.db2.gz XPPSALUNAFZQSQ-NEPJUHHUSA-N 1 0 347.437 -1.674 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054463155 674174861 /nfs/dbraw/zinc/17/48/61/674174861.db2.gz XPPSALUNAFZQSQ-NWDGAFQWSA-N 1 0 347.437 -1.674 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054463156 674174938 /nfs/dbraw/zinc/17/49/38/674174938.db2.gz XPPSALUNAFZQSQ-RYUDHWBXSA-N 1 0 347.437 -1.674 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054463157 674175061 /nfs/dbraw/zinc/17/50/61/674175061.db2.gz XPPSALUNAFZQSQ-VXGBXAGGSA-N 1 0 347.437 -1.674 20 0 EAADRO C[C@@H]1CN(C(=O)c2cocn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054474384 674174865 /nfs/dbraw/zinc/17/48/65/674174865.db2.gz UEPXEDKSRJWRCL-GHMZBOCLSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054474385 674174879 /nfs/dbraw/zinc/17/48/79/674174879.db2.gz UEPXEDKSRJWRCL-MNOVXSKESA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@H]1CN(C(=O)c2cocn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054474387 674174833 /nfs/dbraw/zinc/17/48/33/674174833.db2.gz UEPXEDKSRJWRCL-QWRGUYRKSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@H]1CN(C(=O)c2cocn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054474389 674175233 /nfs/dbraw/zinc/17/52/33/674175233.db2.gz UEPXEDKSRJWRCL-WDEREUQCSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054484259 674175187 /nfs/dbraw/zinc/17/51/87/674175187.db2.gz YDGIMCAGEMXJCA-NEPJUHHUSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054484262 674175243 /nfs/dbraw/zinc/17/52/43/674175243.db2.gz YDGIMCAGEMXJCA-NWDGAFQWSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054484265 674175296 /nfs/dbraw/zinc/17/52/96/674175296.db2.gz YDGIMCAGEMXJCA-RYUDHWBXSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054484268 674175284 /nfs/dbraw/zinc/17/52/84/674175284.db2.gz YDGIMCAGEMXJCA-VXGBXAGGSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054485007 674175334 /nfs/dbraw/zinc/17/53/34/674175334.db2.gz VFSBEKFOJMGOLW-AAEUAGOBSA-N 1 0 349.391 -1.388 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054485008 674175199 /nfs/dbraw/zinc/17/51/99/674175199.db2.gz VFSBEKFOJMGOLW-DGCLKSJQSA-N 1 0 349.391 -1.388 20 0 EAADRO C[C@H]1CN(C(=O)Cc2ccon2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054485009 674175343 /nfs/dbraw/zinc/17/53/43/674175343.db2.gz VFSBEKFOJMGOLW-WCQYABFASA-N 1 0 349.391 -1.388 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054485010 674175322 /nfs/dbraw/zinc/17/53/22/674175322.db2.gz VFSBEKFOJMGOLW-YPMHNXCESA-N 1 0 349.391 -1.388 20 0 EAADRO Cc1nc(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H](C)C2)c[nH]1 ZINC001054488831 674175173 /nfs/dbraw/zinc/17/51/73/674175173.db2.gz PWKKUQBULKLLAY-GWCFXTLKSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1nc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)c[nH]1 ZINC001054488833 674175348 /nfs/dbraw/zinc/17/53/48/674175348.db2.gz PWKKUQBULKLLAY-GXFFZTMASA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)c[nH]1 ZINC001054488834 674175225 /nfs/dbraw/zinc/17/52/25/674175225.db2.gz PWKKUQBULKLLAY-MFKMUULPSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)c[nH]1 ZINC001054488836 674175382 /nfs/dbraw/zinc/17/53/82/674175382.db2.gz PWKKUQBULKLLAY-ZWNOBZJWSA-N 1 0 348.407 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054495150 674175327 /nfs/dbraw/zinc/17/53/27/674175327.db2.gz KSRVIGGIGXCQEA-NEPJUHHUSA-N 1 0 348.407 -1.032 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054495154 674175202 /nfs/dbraw/zinc/17/52/02/674175202.db2.gz KSRVIGGIGXCQEA-NWDGAFQWSA-N 1 0 348.407 -1.032 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054495155 674175290 /nfs/dbraw/zinc/17/52/90/674175290.db2.gz KSRVIGGIGXCQEA-RYUDHWBXSA-N 1 0 348.407 -1.032 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054495158 674175378 /nfs/dbraw/zinc/17/53/78/674175378.db2.gz KSRVIGGIGXCQEA-VXGBXAGGSA-N 1 0 348.407 -1.032 20 0 EAADRO C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054496053 674175277 /nfs/dbraw/zinc/17/52/77/674175277.db2.gz HIXGNEMBBTYQBU-AAEUAGOBSA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054496058 674175248 /nfs/dbraw/zinc/17/52/48/674175248.db2.gz HIXGNEMBBTYQBU-DGCLKSJQSA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054496061 674175340 /nfs/dbraw/zinc/17/53/40/674175340.db2.gz HIXGNEMBBTYQBU-WCQYABFASA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054496067 674175337 /nfs/dbraw/zinc/17/53/37/674175337.db2.gz HIXGNEMBBTYQBU-YPMHNXCESA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054497209 674175372 /nfs/dbraw/zinc/17/53/72/674175372.db2.gz PUWUQUYDENIHMP-BDAKNGLRSA-N 1 0 332.368 -1.269 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054497210 674175315 /nfs/dbraw/zinc/17/53/15/674175315.db2.gz PUWUQUYDENIHMP-DTWKUNHWSA-N 1 0 332.368 -1.269 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054497211 674175359 /nfs/dbraw/zinc/17/53/59/674175359.db2.gz PUWUQUYDENIHMP-IUCAKERBSA-N 1 0 332.368 -1.269 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054497212 674175386 /nfs/dbraw/zinc/17/53/86/674175386.db2.gz PUWUQUYDENIHMP-RKDXNWHRSA-N 1 0 332.368 -1.269 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054500739 674175167 /nfs/dbraw/zinc/17/51/67/674175167.db2.gz SLAWDGHCXXFRRO-NXEZZACHSA-N 1 0 325.369 -2.743 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054500787 674175208 /nfs/dbraw/zinc/17/52/08/674175208.db2.gz SLAWDGHCXXFRRO-UWVGGRQHSA-N 1 0 325.369 -2.743 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054500795 674175369 /nfs/dbraw/zinc/17/53/69/674175369.db2.gz SLAWDGHCXXFRRO-VHSXEESVSA-N 1 0 325.369 -2.743 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054500799 674175255 /nfs/dbraw/zinc/17/52/55/674175255.db2.gz SLAWDGHCXXFRRO-ZJUUUORDSA-N 1 0 325.369 -2.743 20 0 EAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(N)=O)C2 ZINC001054504121 674175180 /nfs/dbraw/zinc/17/51/80/674175180.db2.gz GHAUGPMQKWDCNA-CLLJXQQHSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054505545 674175558 /nfs/dbraw/zinc/17/55/58/674175558.db2.gz HELDWAPGROJBLA-GXSJLCMTSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054505549 674175672 /nfs/dbraw/zinc/17/56/72/674175672.db2.gz HELDWAPGROJBLA-KOLCDFICSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054505552 674175548 /nfs/dbraw/zinc/17/55/48/674175548.db2.gz HELDWAPGROJBLA-MWLCHTKSSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054505556 674175655 /nfs/dbraw/zinc/17/56/55/674175655.db2.gz HELDWAPGROJBLA-ONGXEEELSA-N 1 0 337.380 -2.104 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054505572 674175582 /nfs/dbraw/zinc/17/55/82/674175582.db2.gz IDZYBIRCOZFONR-NXEZZACHSA-N 1 0 347.379 -1.339 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054505576 674175715 /nfs/dbraw/zinc/17/57/15/674175715.db2.gz IDZYBIRCOZFONR-UWVGGRQHSA-N 1 0 347.379 -1.339 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054505578 674175576 /nfs/dbraw/zinc/17/55/76/674175576.db2.gz IDZYBIRCOZFONR-VHSXEESVSA-N 1 0 347.379 -1.339 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054505581 674175538 /nfs/dbraw/zinc/17/55/38/674175538.db2.gz IDZYBIRCOZFONR-ZJUUUORDSA-N 1 0 347.379 -1.339 20 0 EAADRO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054505629 674175520 /nfs/dbraw/zinc/17/55/20/674175520.db2.gz FQQYINAAKBIGIM-AAEUAGOBSA-N 1 0 348.407 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054505638 674175586 /nfs/dbraw/zinc/17/55/86/674175586.db2.gz FQQYINAAKBIGIM-DGCLKSJQSA-N 1 0 348.407 -1.653 20 0 EAADRO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054505643 674175526 /nfs/dbraw/zinc/17/55/26/674175526.db2.gz FQQYINAAKBIGIM-WCQYABFASA-N 1 0 348.407 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054505648 674175612 /nfs/dbraw/zinc/17/56/12/674175612.db2.gz FQQYINAAKBIGIM-YPMHNXCESA-N 1 0 348.407 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001054506488 674175679 /nfs/dbraw/zinc/17/56/79/674175679.db2.gz KXZKLLAKWXYFID-NXEZZACHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001054506489 674175707 /nfs/dbraw/zinc/17/57/07/674175707.db2.gz KXZKLLAKWXYFID-UWVGGRQHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001054506490 674175705 /nfs/dbraw/zinc/17/57/05/674175705.db2.gz KXZKLLAKWXYFID-VHSXEESVSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001054506491 674175609 /nfs/dbraw/zinc/17/56/09/674175609.db2.gz KXZKLLAKWXYFID-ZJUUUORDSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054506717 674175643 /nfs/dbraw/zinc/17/56/43/674175643.db2.gz MLEKYDAZKDEDBO-GHMZBOCLSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054506718 674175562 /nfs/dbraw/zinc/17/55/62/674175562.db2.gz MLEKYDAZKDEDBO-MNOVXSKESA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054506719 674175687 /nfs/dbraw/zinc/17/56/87/674175687.db2.gz MLEKYDAZKDEDBO-QWRGUYRKSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054506720 674175565 /nfs/dbraw/zinc/17/55/65/674175565.db2.gz MLEKYDAZKDEDBO-WDEREUQCSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054519476 674176058 /nfs/dbraw/zinc/17/60/58/674176058.db2.gz ULOXOMLOVSSYEA-CMPLNLGQSA-N 1 0 334.380 -1.060 20 0 EAADRO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054519478 674175978 /nfs/dbraw/zinc/17/59/78/674175978.db2.gz ULOXOMLOVSSYEA-JQWIXIFHSA-N 1 0 334.380 -1.060 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054519481 674176122 /nfs/dbraw/zinc/17/61/22/674176122.db2.gz ULOXOMLOVSSYEA-PWSUYJOCSA-N 1 0 334.380 -1.060 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054519484 674175823 /nfs/dbraw/zinc/17/58/23/674175823.db2.gz ULOXOMLOVSSYEA-ZYHUDNBSSA-N 1 0 334.380 -1.060 20 0 EAADRO Cc1ncoc1C(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054526950 674176077 /nfs/dbraw/zinc/17/60/77/674176077.db2.gz DZHCJXKSGQLIDW-CMPLNLGQSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1ncoc1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054526953 674175881 /nfs/dbraw/zinc/17/58/81/674175881.db2.gz DZHCJXKSGQLIDW-JQWIXIFHSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1ncoc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054526954 674175810 /nfs/dbraw/zinc/17/58/10/674175810.db2.gz DZHCJXKSGQLIDW-PWSUYJOCSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1ncoc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054526955 674176120 /nfs/dbraw/zinc/17/61/20/674176120.db2.gz DZHCJXKSGQLIDW-ZYHUDNBSSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)nnn1C ZINC001054529093 674175991 /nfs/dbraw/zinc/17/59/91/674175991.db2.gz XUUGFDXURCPCHR-PSASIEDQSA-N 1 0 334.384 -1.204 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)nnn1C ZINC001054529097 674175939 /nfs/dbraw/zinc/17/59/39/674175939.db2.gz XUUGFDXURCPCHR-SCZZXKLOSA-N 1 0 334.384 -1.204 20 0 EAADRO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)nnn1C ZINC001054529098 674176124 /nfs/dbraw/zinc/17/61/24/674176124.db2.gz XUUGFDXURCPCHR-WCBMZHEXSA-N 1 0 334.384 -1.204 20 0 EAADRO Cc1c(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)nnn1C ZINC001054529100 674176090 /nfs/dbraw/zinc/17/60/90/674176090.db2.gz XUUGFDXURCPCHR-WPRPVWTQSA-N 1 0 334.384 -1.204 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054532033 674176118 /nfs/dbraw/zinc/17/61/18/674176118.db2.gz HUTFZDMVDLTSDV-GHMZBOCLSA-N 1 0 349.395 -1.274 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054532038 674176069 /nfs/dbraw/zinc/17/60/69/674176069.db2.gz HUTFZDMVDLTSDV-MNOVXSKESA-N 1 0 349.395 -1.274 20 0 EAADRO C[C@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054532040 674175854 /nfs/dbraw/zinc/17/58/54/674175854.db2.gz HUTFZDMVDLTSDV-QWRGUYRKSA-N 1 0 349.395 -1.274 20 0 EAADRO C[C@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054532041 674175818 /nfs/dbraw/zinc/17/58/18/674175818.db2.gz HUTFZDMVDLTSDV-WDEREUQCSA-N 1 0 349.395 -1.274 20 0 EAADRO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nnn1C ZINC001054543236 674176101 /nfs/dbraw/zinc/17/61/01/674176101.db2.gz WNQWNUFHOWKTJP-GXSJLCMTSA-N 1 0 349.395 -1.275 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)nnn1C ZINC001054543237 674175960 /nfs/dbraw/zinc/17/59/60/674175960.db2.gz WNQWNUFHOWKTJP-KOLCDFICSA-N 1 0 349.395 -1.275 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nnn1C ZINC001054543238 674175906 /nfs/dbraw/zinc/17/59/06/674175906.db2.gz WNQWNUFHOWKTJP-MWLCHTKSSA-N 1 0 349.395 -1.275 20 0 EAADRO Cc1c(C(=O)N2C[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H](C)C2)nnn1C ZINC001054543239 674175833 /nfs/dbraw/zinc/17/58/33/674175833.db2.gz WNQWNUFHOWKTJP-ONGXEEELSA-N 1 0 349.395 -1.275 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054560132 674175838 /nfs/dbraw/zinc/17/58/38/674175838.db2.gz RQILVLLZUKSZCS-NEPJUHHUSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054560133 674176020 /nfs/dbraw/zinc/17/60/20/674176020.db2.gz RQILVLLZUKSZCS-NWDGAFQWSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054560135 674176096 /nfs/dbraw/zinc/17/60/96/674176096.db2.gz RQILVLLZUKSZCS-RYUDHWBXSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054560136 674176131 /nfs/dbraw/zinc/17/61/31/674176131.db2.gz RQILVLLZUKSZCS-VXGBXAGGSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054582938 674176037 /nfs/dbraw/zinc/17/60/37/674176037.db2.gz UAMFZHODTXQJRC-BDAKNGLRSA-N 1 0 336.356 -1.958 20 0 EAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054582939 674176062 /nfs/dbraw/zinc/17/60/62/674176062.db2.gz UAMFZHODTXQJRC-DTWKUNHWSA-N 1 0 336.356 -1.958 20 0 EAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054582940 674176111 /nfs/dbraw/zinc/17/61/11/674176111.db2.gz UAMFZHODTXQJRC-IUCAKERBSA-N 1 0 336.356 -1.958 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054582941 674176046 /nfs/dbraw/zinc/17/60/46/674176046.db2.gz UAMFZHODTXQJRC-RKDXNWHRSA-N 1 0 336.356 -1.958 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054586504 674176108 /nfs/dbraw/zinc/17/61/08/674176108.db2.gz GSWMYMGRAFPRJA-NEPJUHHUSA-N 1 0 338.412 -1.623 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054586507 674175895 /nfs/dbraw/zinc/17/58/95/674175895.db2.gz GSWMYMGRAFPRJA-NWDGAFQWSA-N 1 0 338.412 -1.623 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054586509 674175869 /nfs/dbraw/zinc/17/58/69/674175869.db2.gz GSWMYMGRAFPRJA-RYUDHWBXSA-N 1 0 338.412 -1.623 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054586512 674176029 /nfs/dbraw/zinc/17/60/29/674176029.db2.gz GSWMYMGRAFPRJA-VXGBXAGGSA-N 1 0 338.412 -1.623 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054588262 674175916 /nfs/dbraw/zinc/17/59/16/674175916.db2.gz QILAUAAWVJZQRU-KBPBESRZSA-N 1 0 339.440 -1.220 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054588267 674176086 /nfs/dbraw/zinc/17/60/86/674176086.db2.gz QILAUAAWVJZQRU-KGLIPLIRSA-N 1 0 339.440 -1.220 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054588271 674175954 /nfs/dbraw/zinc/17/59/54/674175954.db2.gz QILAUAAWVJZQRU-UONOGXRCSA-N 1 0 339.440 -1.220 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054588273 674175974 /nfs/dbraw/zinc/17/59/74/674175974.db2.gz QILAUAAWVJZQRU-ZIAGYGMSSA-N 1 0 339.440 -1.220 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054588880 674176074 /nfs/dbraw/zinc/17/60/74/674176074.db2.gz LVELFIYCTBLKRX-GXSJLCMTSA-N 1 0 349.395 -1.396 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054588895 674176014 /nfs/dbraw/zinc/17/60/14/674176014.db2.gz LVELFIYCTBLKRX-KOLCDFICSA-N 1 0 349.395 -1.396 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054588896 674176104 /nfs/dbraw/zinc/17/61/04/674176104.db2.gz LVELFIYCTBLKRX-MWLCHTKSSA-N 1 0 349.395 -1.396 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054588897 674176342 /nfs/dbraw/zinc/17/63/42/674176342.db2.gz LVELFIYCTBLKRX-ONGXEEELSA-N 1 0 349.395 -1.396 20 0 EAADRO Cc1nc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)co1 ZINC001054594394 674176460 /nfs/dbraw/zinc/17/64/60/674176460.db2.gz VGQBWXNBSJLEON-CMPLNLGQSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1nc(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)[C@@H](C)C2)co1 ZINC001054594395 674176393 /nfs/dbraw/zinc/17/63/93/674176393.db2.gz VGQBWXNBSJLEON-JQWIXIFHSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)co1 ZINC001054594396 674176452 /nfs/dbraw/zinc/17/64/52/674176452.db2.gz VGQBWXNBSJLEON-PWSUYJOCSA-N 1 0 349.391 -1.008 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)co1 ZINC001054594397 674176463 /nfs/dbraw/zinc/17/64/63/674176463.db2.gz VGQBWXNBSJLEON-ZYHUDNBSSA-N 1 0 349.391 -1.008 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054595532 674176289 /nfs/dbraw/zinc/17/62/89/674176289.db2.gz CLEKPZVBYXGGKK-GHMZBOCLSA-N 1 0 337.384 -1.555 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054595535 674176462 /nfs/dbraw/zinc/17/64/62/674176462.db2.gz CLEKPZVBYXGGKK-MNOVXSKESA-N 1 0 337.384 -1.555 20 0 EAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054595538 674176416 /nfs/dbraw/zinc/17/64/16/674176416.db2.gz CLEKPZVBYXGGKK-QWRGUYRKSA-N 1 0 337.384 -1.555 20 0 EAADRO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054595541 674176417 /nfs/dbraw/zinc/17/64/17/674176417.db2.gz CLEKPZVBYXGGKK-WDEREUQCSA-N 1 0 337.384 -1.555 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054598108 674176431 /nfs/dbraw/zinc/17/64/31/674176431.db2.gz CDCOUFUXIIETCH-NEPJUHHUSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054598109 674176415 /nfs/dbraw/zinc/17/64/15/674176415.db2.gz CDCOUFUXIIETCH-NWDGAFQWSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054598110 674176392 /nfs/dbraw/zinc/17/63/92/674176392.db2.gz CDCOUFUXIIETCH-RYUDHWBXSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054598111 674176323 /nfs/dbraw/zinc/17/63/23/674176323.db2.gz CDCOUFUXIIETCH-VXGBXAGGSA-N 1 0 349.395 -1.344 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599353 674176443 /nfs/dbraw/zinc/17/64/43/674176443.db2.gz GOCRPNIWMFDRQH-GHMZBOCLSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599354 674176446 /nfs/dbraw/zinc/17/64/46/674176446.db2.gz GOCRPNIWMFDRQH-MNOVXSKESA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599355 674176275 /nfs/dbraw/zinc/17/62/75/674176275.db2.gz GOCRPNIWMFDRQH-QWRGUYRKSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599357 674176424 /nfs/dbraw/zinc/17/64/24/674176424.db2.gz GOCRPNIWMFDRQH-WDEREUQCSA-N 1 0 334.384 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599414 674176261 /nfs/dbraw/zinc/17/62/61/674176261.db2.gz RVUMDXGKSZNMQW-PSASIEDQSA-N 1 0 334.384 -1.326 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599422 674176454 /nfs/dbraw/zinc/17/64/54/674176454.db2.gz RVUMDXGKSZNMQW-SCZZXKLOSA-N 1 0 334.384 -1.326 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599426 674176449 /nfs/dbraw/zinc/17/64/49/674176449.db2.gz RVUMDXGKSZNMQW-WCBMZHEXSA-N 1 0 334.384 -1.326 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054599429 674176333 /nfs/dbraw/zinc/17/63/33/674176333.db2.gz RVUMDXGKSZNMQW-WPRPVWTQSA-N 1 0 334.384 -1.326 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054602185 674176398 /nfs/dbraw/zinc/17/63/98/674176398.db2.gz RPKUDEKXOACWPN-BXKDBHETSA-N 1 0 336.396 -1.477 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)C1 ZINC001054602186 674176347 /nfs/dbraw/zinc/17/63/47/674176347.db2.gz RPKUDEKXOACWPN-CABZTGNLSA-N 1 0 336.396 -1.477 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054602187 674176298 /nfs/dbraw/zinc/17/62/98/674176298.db2.gz RPKUDEKXOACWPN-JOYOIKCWSA-N 1 0 336.396 -1.477 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054602188 674176440 /nfs/dbraw/zinc/17/64/40/674176440.db2.gz RPKUDEKXOACWPN-SKDRFNHKSA-N 1 0 336.396 -1.477 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001054603165 674176411 /nfs/dbraw/zinc/17/64/11/674176411.db2.gz VMVBLCLQRBQWTO-BXUZGUMPSA-N 1 0 337.424 -1.074 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]CCN3CCNC3=O)[C@@H](C)C2)C1 ZINC001054603167 674176285 /nfs/dbraw/zinc/17/62/85/674176285.db2.gz VMVBLCLQRBQWTO-FZMZJTMJSA-N 1 0 337.424 -1.074 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001054603169 674176459 /nfs/dbraw/zinc/17/64/59/674176459.db2.gz VMVBLCLQRBQWTO-RISCZKNCSA-N 1 0 337.424 -1.074 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001054603172 674176423 /nfs/dbraw/zinc/17/64/23/674176423.db2.gz VMVBLCLQRBQWTO-SMDDNHRTSA-N 1 0 337.424 -1.074 20 0 EAADRO C[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054603857 674176432 /nfs/dbraw/zinc/17/64/32/674176432.db2.gz HZSCDRUSFFNPAE-AAEUAGOBSA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054603859 674176434 /nfs/dbraw/zinc/17/64/34/674176434.db2.gz HZSCDRUSFFNPAE-DGCLKSJQSA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@H]1CN(C(=O)c2cncnc2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054603861 674176402 /nfs/dbraw/zinc/17/64/02/674176402.db2.gz HZSCDRUSFFNPAE-WCQYABFASA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054603863 674176438 /nfs/dbraw/zinc/17/64/38/674176438.db2.gz HZSCDRUSFFNPAE-YPMHNXCESA-N 1 0 346.391 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054605394 674176356 /nfs/dbraw/zinc/17/63/56/674176356.db2.gz HQKZURPWEJLYDR-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054605395 674176457 /nfs/dbraw/zinc/17/64/57/674176457.db2.gz HQKZURPWEJLYDR-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054605396 674176436 /nfs/dbraw/zinc/17/64/36/674176436.db2.gz HQKZURPWEJLYDR-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054605397 674176404 /nfs/dbraw/zinc/17/64/04/674176404.db2.gz HQKZURPWEJLYDR-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054611286 674176293 /nfs/dbraw/zinc/17/62/93/674176293.db2.gz FRASHBMPWMTPAG-AAEUAGOBSA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054611287 674176379 /nfs/dbraw/zinc/17/63/79/674176379.db2.gz FRASHBMPWMTPAG-DGCLKSJQSA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054611289 674176427 /nfs/dbraw/zinc/17/64/27/674176427.db2.gz FRASHBMPWMTPAG-WCQYABFASA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054611290 674176412 /nfs/dbraw/zinc/17/64/12/674176412.db2.gz FRASHBMPWMTPAG-YPMHNXCESA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615826 674176396 /nfs/dbraw/zinc/17/63/96/674176396.db2.gz DNRMNDRTJYDWNM-GHMZBOCLSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615827 674176421 /nfs/dbraw/zinc/17/64/21/674176421.db2.gz RGLOLFQVINDQLF-GHMZBOCLSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615875 674176428 /nfs/dbraw/zinc/17/64/28/674176428.db2.gz RGLOLFQVINDQLF-MNOVXSKESA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615876 674176374 /nfs/dbraw/zinc/17/63/74/674176374.db2.gz DNRMNDRTJYDWNM-MNOVXSKESA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615878 674176327 /nfs/dbraw/zinc/17/63/27/674176327.db2.gz DNRMNDRTJYDWNM-QWRGUYRKSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615879 674176315 /nfs/dbraw/zinc/17/63/15/674176315.db2.gz RGLOLFQVINDQLF-QWRGUYRKSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615881 674176387 /nfs/dbraw/zinc/17/63/87/674176387.db2.gz DNRMNDRTJYDWNM-WDEREUQCSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054615882 674176409 /nfs/dbraw/zinc/17/64/09/674176409.db2.gz RGLOLFQVINDQLF-WDEREUQCSA-N 1 0 349.395 -2.176 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)o1 ZINC001054616638 674176418 /nfs/dbraw/zinc/17/64/18/674176418.db2.gz GMKJAWHCDGBPSY-PSASIEDQSA-N 1 0 335.368 -1.021 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)o1 ZINC001054616642 674176366 /nfs/dbraw/zinc/17/63/66/674176366.db2.gz GMKJAWHCDGBPSY-SCZZXKLOSA-N 1 0 335.368 -1.021 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)o1 ZINC001054616644 674176245 /nfs/dbraw/zinc/17/62/45/674176245.db2.gz GMKJAWHCDGBPSY-WCBMZHEXSA-N 1 0 335.368 -1.021 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)o1 ZINC001054616645 674176406 /nfs/dbraw/zinc/17/64/06/674176406.db2.gz GMKJAWHCDGBPSY-WPRPVWTQSA-N 1 0 335.368 -1.021 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054617614 674176381 /nfs/dbraw/zinc/17/63/81/674176381.db2.gz WGHOCMMZZGLCEO-NEPJUHHUSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054617617 674176362 /nfs/dbraw/zinc/17/63/62/674176362.db2.gz WGHOCMMZZGLCEO-NWDGAFQWSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054617619 674176308 /nfs/dbraw/zinc/17/63/08/674176308.db2.gz WGHOCMMZZGLCEO-RYUDHWBXSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054617621 674176413 /nfs/dbraw/zinc/17/64/13/674176413.db2.gz WGHOCMMZZGLCEO-VXGBXAGGSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054620761 674176401 /nfs/dbraw/zinc/17/64/01/674176401.db2.gz RGOJGHQCQJHAPV-NXEZZACHSA-N 1 0 335.368 -1.583 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054620764 674176791 /nfs/dbraw/zinc/17/67/91/674176791.db2.gz RGOJGHQCQJHAPV-UWVGGRQHSA-N 1 0 335.368 -1.583 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054620766 674176779 /nfs/dbraw/zinc/17/67/79/674176779.db2.gz RGOJGHQCQJHAPV-VHSXEESVSA-N 1 0 335.368 -1.583 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054620767 674176751 /nfs/dbraw/zinc/17/67/51/674176751.db2.gz RGOJGHQCQJHAPV-ZJUUUORDSA-N 1 0 335.368 -1.583 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054621776 674176710 /nfs/dbraw/zinc/17/67/10/674176710.db2.gz VRPIJIGUTCEQRW-NEPJUHHUSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054621778 674176757 /nfs/dbraw/zinc/17/67/57/674176757.db2.gz VRPIJIGUTCEQRW-NWDGAFQWSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054621781 674176688 /nfs/dbraw/zinc/17/66/88/674176688.db2.gz VRPIJIGUTCEQRW-RYUDHWBXSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054621784 674176770 /nfs/dbraw/zinc/17/67/70/674176770.db2.gz VRPIJIGUTCEQRW-VXGBXAGGSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054622995 674176787 /nfs/dbraw/zinc/17/67/87/674176787.db2.gz PNACQHNEUHRXHL-BDAKNGLRSA-N 1 0 336.352 -1.350 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054622998 674176737 /nfs/dbraw/zinc/17/67/37/674176737.db2.gz PNACQHNEUHRXHL-DTWKUNHWSA-N 1 0 336.352 -1.350 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054623001 674176715 /nfs/dbraw/zinc/17/67/15/674176715.db2.gz PNACQHNEUHRXHL-IUCAKERBSA-N 1 0 336.352 -1.350 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054623004 674176773 /nfs/dbraw/zinc/17/67/73/674176773.db2.gz NOMBQSYDTSDLQN-NXEZZACHSA-N 1 0 335.368 -1.583 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054623005 674176752 /nfs/dbraw/zinc/17/67/52/674176752.db2.gz PNACQHNEUHRXHL-RKDXNWHRSA-N 1 0 336.352 -1.350 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054623006 674176685 /nfs/dbraw/zinc/17/66/85/674176685.db2.gz NOMBQSYDTSDLQN-UWVGGRQHSA-N 1 0 335.368 -1.583 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054623007 674176778 /nfs/dbraw/zinc/17/67/78/674176778.db2.gz NOMBQSYDTSDLQN-VHSXEESVSA-N 1 0 335.368 -1.583 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054623009 674176702 /nfs/dbraw/zinc/17/67/02/674176702.db2.gz NOMBQSYDTSDLQN-ZJUUUORDSA-N 1 0 335.368 -1.583 20 0 EAADRO CCn1ncc(C(=O)N2C[C@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001054631081 674176684 /nfs/dbraw/zinc/17/66/84/674176684.db2.gz YCSBXNZDSHEBLB-CMPLNLGQSA-N 1 0 349.395 -1.100 20 0 EAADRO CCn1ncc(C(=O)N2C[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H](C)C2)n1 ZINC001054631085 674176722 /nfs/dbraw/zinc/17/67/22/674176722.db2.gz YCSBXNZDSHEBLB-JQWIXIFHSA-N 1 0 349.395 -1.100 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001054631087 674176736 /nfs/dbraw/zinc/17/67/36/674176736.db2.gz YCSBXNZDSHEBLB-PWSUYJOCSA-N 1 0 349.395 -1.100 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001054631088 674176714 /nfs/dbraw/zinc/17/67/14/674176714.db2.gz YCSBXNZDSHEBLB-ZYHUDNBSSA-N 1 0 349.395 -1.100 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001054631599 674176823 /nfs/dbraw/zinc/17/68/23/674176823.db2.gz CGAUOPXLSUBHQG-GHMZBOCLSA-N 1 0 349.395 -1.100 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001054631600 674176713 /nfs/dbraw/zinc/17/67/13/674176713.db2.gz CGAUOPXLSUBHQG-MNOVXSKESA-N 1 0 349.395 -1.100 20 0 EAADRO CCn1nncc1C(=O)N1C[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC001054631601 674176712 /nfs/dbraw/zinc/17/67/12/674176712.db2.gz CGAUOPXLSUBHQG-QWRGUYRKSA-N 1 0 349.395 -1.100 20 0 EAADRO CCn1nncc1C(=O)N1C[C@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001054631602 674176735 /nfs/dbraw/zinc/17/67/35/674176735.db2.gz CGAUOPXLSUBHQG-WDEREUQCSA-N 1 0 349.395 -1.100 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054632407 674176764 /nfs/dbraw/zinc/17/67/64/674176764.db2.gz FPHJHWRXADZLEX-GHMZBOCLSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054632410 674176766 /nfs/dbraw/zinc/17/67/66/674176766.db2.gz FPHJHWRXADZLEX-MNOVXSKESA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054632411 674176733 /nfs/dbraw/zinc/17/67/33/674176733.db2.gz FPHJHWRXADZLEX-QWRGUYRKSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054632413 674176726 /nfs/dbraw/zinc/17/67/26/674176726.db2.gz FPHJHWRXADZLEX-WDEREUQCSA-N 1 0 349.395 -2.176 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054633153 674176740 /nfs/dbraw/zinc/17/67/40/674176740.db2.gz IUBLCLAIDCXMCV-NEPJUHHUSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054633158 674176690 /nfs/dbraw/zinc/17/66/90/674176690.db2.gz IUBLCLAIDCXMCV-NWDGAFQWSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054633161 674176748 /nfs/dbraw/zinc/17/67/48/674176748.db2.gz IUBLCLAIDCXMCV-RYUDHWBXSA-N 1 0 336.396 -1.276 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054633167 674176662 /nfs/dbraw/zinc/17/66/62/674176662.db2.gz IUBLCLAIDCXMCV-VXGBXAGGSA-N 1 0 336.396 -1.276 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001054635538 674176676 /nfs/dbraw/zinc/17/66/76/674176676.db2.gz QCZDTRBQEKPCEQ-NXEZZACHSA-N 1 0 334.384 -1.030 20 0 EAADRO CCn1nncc1C(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](C)C1 ZINC001054635542 674176781 /nfs/dbraw/zinc/17/67/81/674176781.db2.gz QCZDTRBQEKPCEQ-UWVGGRQHSA-N 1 0 334.384 -1.030 20 0 EAADRO CCn1nncc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001054635544 674176718 /nfs/dbraw/zinc/17/67/18/674176718.db2.gz QCZDTRBQEKPCEQ-VHSXEESVSA-N 1 0 334.384 -1.030 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001054635548 674176703 /nfs/dbraw/zinc/17/67/03/674176703.db2.gz QCZDTRBQEKPCEQ-ZJUUUORDSA-N 1 0 334.384 -1.030 20 0 EAADRO CCn1ncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001054635997 674176652 /nfs/dbraw/zinc/17/66/52/674176652.db2.gz QPKNIXRMCXZTJJ-GXSJLCMTSA-N 1 0 334.384 -1.030 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001054636000 674176692 /nfs/dbraw/zinc/17/66/92/674176692.db2.gz QPKNIXRMCXZTJJ-KOLCDFICSA-N 1 0 334.384 -1.030 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001054636003 674176815 /nfs/dbraw/zinc/17/68/15/674176815.db2.gz QPKNIXRMCXZTJJ-MWLCHTKSSA-N 1 0 334.384 -1.030 20 0 EAADRO CCn1ncc(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)n1 ZINC001054636006 674176794 /nfs/dbraw/zinc/17/67/94/674176794.db2.gz QPKNIXRMCXZTJJ-ONGXEEELSA-N 1 0 334.384 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054640998 674176696 /nfs/dbraw/zinc/17/66/96/674176696.db2.gz YWCNIVNRCHFHMH-GHMZBOCLSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054641001 674176801 /nfs/dbraw/zinc/17/68/01/674176801.db2.gz YWCNIVNRCHFHMH-MNOVXSKESA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054641005 674176723 /nfs/dbraw/zinc/17/67/23/674176723.db2.gz YWCNIVNRCHFHMH-QWRGUYRKSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054641008 674176761 /nfs/dbraw/zinc/17/67/61/674176761.db2.gz YWCNIVNRCHFHMH-WDEREUQCSA-N 1 0 334.380 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054644035 674176686 /nfs/dbraw/zinc/17/66/86/674176686.db2.gz QSCUJKVXRVYSSD-AAEUAGOBSA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054644036 674176728 /nfs/dbraw/zinc/17/67/28/674176728.db2.gz QSCUJKVXRVYSSD-DGCLKSJQSA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054644037 674176775 /nfs/dbraw/zinc/17/67/75/674176775.db2.gz QSCUJKVXRVYSSD-WCQYABFASA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054644038 674176700 /nfs/dbraw/zinc/17/67/00/674176700.db2.gz QSCUJKVXRVYSSD-YPMHNXCESA-N 1 0 348.407 -1.049 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054646010 674176671 /nfs/dbraw/zinc/17/66/71/674176671.db2.gz AAKQOGNOFSCVMY-NEPJUHHUSA-N 1 0 337.384 -2.032 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054646026 674176745 /nfs/dbraw/zinc/17/67/45/674176745.db2.gz AAKQOGNOFSCVMY-NWDGAFQWSA-N 1 0 337.384 -2.032 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054646032 674176665 /nfs/dbraw/zinc/17/66/65/674176665.db2.gz AAKQOGNOFSCVMY-RYUDHWBXSA-N 1 0 337.384 -2.032 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054646037 674176742 /nfs/dbraw/zinc/17/67/42/674176742.db2.gz AAKQOGNOFSCVMY-VXGBXAGGSA-N 1 0 337.384 -2.032 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)[nH]1 ZINC001054651813 674177036 /nfs/dbraw/zinc/17/70/36/674177036.db2.gz QJXLWCRFOIZVKI-GXSJLCMTSA-N 1 0 349.395 -1.356 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)[nH]1 ZINC001054651819 674177053 /nfs/dbraw/zinc/17/70/53/674177053.db2.gz QJXLWCRFOIZVKI-KOLCDFICSA-N 1 0 349.395 -1.356 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)[nH]1 ZINC001054651822 674177029 /nfs/dbraw/zinc/17/70/29/674177029.db2.gz QJXLWCRFOIZVKI-MWLCHTKSSA-N 1 0 349.395 -1.356 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H](C)C2)[nH]1 ZINC001054651826 674177081 /nfs/dbraw/zinc/17/70/81/674177081.db2.gz QJXLWCRFOIZVKI-ONGXEEELSA-N 1 0 349.395 -1.356 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054652684 674177226 /nfs/dbraw/zinc/17/72/26/674177226.db2.gz WGACZOKXAPYBIR-NEPJUHHUSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054652685 674177236 /nfs/dbraw/zinc/17/72/36/674177236.db2.gz WGACZOKXAPYBIR-NWDGAFQWSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054652686 674177013 /nfs/dbraw/zinc/17/70/13/674177013.db2.gz WGACZOKXAPYBIR-RYUDHWBXSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054652687 674177166 /nfs/dbraw/zinc/17/71/66/674177166.db2.gz WGACZOKXAPYBIR-VXGBXAGGSA-N 1 0 348.407 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054655064 674177191 /nfs/dbraw/zinc/17/71/91/674177191.db2.gz HAUJJJLTYFUCNE-NXEZZACHSA-N 1 0 336.356 -2.339 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054655066 674177015 /nfs/dbraw/zinc/17/70/15/674177015.db2.gz HAUJJJLTYFUCNE-UWVGGRQHSA-N 1 0 336.356 -2.339 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054655069 674177028 /nfs/dbraw/zinc/17/70/28/674177028.db2.gz HAUJJJLTYFUCNE-VHSXEESVSA-N 1 0 336.356 -2.339 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054655071 674177043 /nfs/dbraw/zinc/17/70/43/674177043.db2.gz HAUJJJLTYFUCNE-ZJUUUORDSA-N 1 0 336.356 -2.339 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054662699 674177011 /nfs/dbraw/zinc/17/70/11/674177011.db2.gz BSSVCUJIFCOPSP-GXSJLCMTSA-N 1 0 347.383 -1.858 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054662710 674177047 /nfs/dbraw/zinc/17/70/47/674177047.db2.gz BSSVCUJIFCOPSP-KOLCDFICSA-N 1 0 347.383 -1.858 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054662721 674177218 /nfs/dbraw/zinc/17/72/18/674177218.db2.gz BSSVCUJIFCOPSP-MWLCHTKSSA-N 1 0 347.383 -1.858 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054662734 674177175 /nfs/dbraw/zinc/17/71/75/674177175.db2.gz BSSVCUJIFCOPSP-ONGXEEELSA-N 1 0 347.383 -1.858 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054670486 674177373 /nfs/dbraw/zinc/17/73/73/674177373.db2.gz RSEVJHQBTLGFTJ-GHMZBOCLSA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054670488 674177625 /nfs/dbraw/zinc/17/76/25/674177625.db2.gz RSEVJHQBTLGFTJ-MNOVXSKESA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054670490 674177384 /nfs/dbraw/zinc/17/73/84/674177384.db2.gz RSEVJHQBTLGFTJ-QWRGUYRKSA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054670492 674177513 /nfs/dbraw/zinc/17/75/13/674177513.db2.gz RSEVJHQBTLGFTJ-WDEREUQCSA-N 1 0 335.368 -1.741 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1cncn1C ZINC001054670774 674177584 /nfs/dbraw/zinc/17/75/84/674177584.db2.gz JCXMXUQGGUBMBC-CMPLNLGQSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054670775 674177331 /nfs/dbraw/zinc/17/73/31/674177331.db2.gz JCXMXUQGGUBMBC-JQWIXIFHSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054670776 674177610 /nfs/dbraw/zinc/17/76/10/674177610.db2.gz JCXMXUQGGUBMBC-PWSUYJOCSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1cncn1C ZINC001054670777 674177391 /nfs/dbraw/zinc/17/73/91/674177391.db2.gz JCXMXUQGGUBMBC-ZYHUDNBSSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054670786 674177341 /nfs/dbraw/zinc/17/73/41/674177341.db2.gz JJTDTHQWFFRJDY-CMPLNLGQSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054670787 674177631 /nfs/dbraw/zinc/17/76/31/674177631.db2.gz JJTDTHQWFFRJDY-JQWIXIFHSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054670788 674177346 /nfs/dbraw/zinc/17/73/46/674177346.db2.gz JJTDTHQWFFRJDY-PWSUYJOCSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054670789 674177405 /nfs/dbraw/zinc/17/74/05/674177405.db2.gz JJTDTHQWFFRJDY-ZYHUDNBSSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054671195 674177594 /nfs/dbraw/zinc/17/75/94/674177594.db2.gz KQWKSRLPYREUIX-GHMZBOCLSA-N 1 0 349.395 -1.954 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054671196 674177503 /nfs/dbraw/zinc/17/75/03/674177503.db2.gz KQWKSRLPYREUIX-MNOVXSKESA-N 1 0 349.395 -1.954 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054671197 674177376 /nfs/dbraw/zinc/17/73/76/674177376.db2.gz KQWKSRLPYREUIX-QWRGUYRKSA-N 1 0 349.395 -1.954 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054671198 674177315 /nfs/dbraw/zinc/17/73/15/674177315.db2.gz KQWKSRLPYREUIX-WDEREUQCSA-N 1 0 349.395 -1.954 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054671560 674177398 /nfs/dbraw/zinc/17/73/98/674177398.db2.gz LVVJPWWPYANEDZ-NEPJUHHUSA-N 1 0 346.395 -1.290 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054671566 674177410 /nfs/dbraw/zinc/17/74/10/674177410.db2.gz LVVJPWWPYANEDZ-NWDGAFQWSA-N 1 0 346.395 -1.290 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054671571 674177328 /nfs/dbraw/zinc/17/73/28/674177328.db2.gz LVVJPWWPYANEDZ-RYUDHWBXSA-N 1 0 346.395 -1.290 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054671576 674177535 /nfs/dbraw/zinc/17/75/35/674177535.db2.gz LVVJPWWPYANEDZ-VXGBXAGGSA-N 1 0 346.395 -1.290 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001054672933 674177559 /nfs/dbraw/zinc/17/75/59/674177559.db2.gz PTZGXCRMWOJPGJ-CMPLNLGQSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001054672934 674177566 /nfs/dbraw/zinc/17/75/66/674177566.db2.gz PTZGXCRMWOJPGJ-JQWIXIFHSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001054672935 674177451 /nfs/dbraw/zinc/17/74/51/674177451.db2.gz PTZGXCRMWOJPGJ-PWSUYJOCSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001054672936 674177475 /nfs/dbraw/zinc/17/74/75/674177475.db2.gz PTZGXCRMWOJPGJ-ZYHUDNBSSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054673745 674177922 /nfs/dbraw/zinc/17/79/22/674177922.db2.gz TXLAJPPPTFGYAB-CMPLNLGQSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054673746 674177695 /nfs/dbraw/zinc/17/76/95/674177695.db2.gz TXLAJPPPTFGYAB-JQWIXIFHSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054673747 674177853 /nfs/dbraw/zinc/17/78/53/674177853.db2.gz TXLAJPPPTFGYAB-PWSUYJOCSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054673748 674177894 /nfs/dbraw/zinc/17/78/94/674177894.db2.gz TXLAJPPPTFGYAB-ZYHUDNBSSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054674017 674177931 /nfs/dbraw/zinc/17/79/31/674177931.db2.gz VIVXSUBLJPKXJD-GHMZBOCLSA-N 1 0 347.383 -1.895 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054674018 674177814 /nfs/dbraw/zinc/17/78/14/674177814.db2.gz VIVXSUBLJPKXJD-MNOVXSKESA-N 1 0 347.383 -1.895 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054674019 674177734 /nfs/dbraw/zinc/17/77/34/674177734.db2.gz VIVXSUBLJPKXJD-QWRGUYRKSA-N 1 0 347.383 -1.895 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054674020 674177819 /nfs/dbraw/zinc/17/78/19/674177819.db2.gz VIVXSUBLJPKXJD-WDEREUQCSA-N 1 0 347.383 -1.895 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1nccn1C ZINC001054676016 674177778 /nfs/dbraw/zinc/17/77/78/674177778.db2.gz ZZWUKKPOKUEPRC-GHMZBOCLSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1nccn1C ZINC001054676017 674177789 /nfs/dbraw/zinc/17/77/89/674177789.db2.gz ZZWUKKPOKUEPRC-MNOVXSKESA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[NH2+]Cc1nccn1C ZINC001054676018 674177900 /nfs/dbraw/zinc/17/79/00/674177900.db2.gz ZZWUKKPOKUEPRC-QWRGUYRKSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]Cc1nccn1C ZINC001054676019 674177926 /nfs/dbraw/zinc/17/79/26/674177926.db2.gz ZZWUKKPOKUEPRC-WDEREUQCSA-N 1 0 346.395 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054678173 674177877 /nfs/dbraw/zinc/17/78/77/674177877.db2.gz GQWDFOQCUPUDKP-CMPLNLGQSA-N 1 0 327.410 -1.241 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054678176 674177898 /nfs/dbraw/zinc/17/78/98/674177898.db2.gz GQWDFOQCUPUDKP-JQWIXIFHSA-N 1 0 327.410 -1.241 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054678180 674177705 /nfs/dbraw/zinc/17/77/05/674177705.db2.gz GQWDFOQCUPUDKP-PWSUYJOCSA-N 1 0 327.410 -1.241 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054678183 674177831 /nfs/dbraw/zinc/17/78/31/674177831.db2.gz GQWDFOQCUPUDKP-ZYHUDNBSSA-N 1 0 327.410 -1.241 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054679268 674177945 /nfs/dbraw/zinc/17/79/45/674177945.db2.gz JBUHUJMYOSXXJO-BXKDBHETSA-N 1 0 327.410 -1.204 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054679272 674177963 /nfs/dbraw/zinc/17/79/63/674177963.db2.gz JBUHUJMYOSXXJO-CABZTGNLSA-N 1 0 327.410 -1.204 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054679277 674177761 /nfs/dbraw/zinc/17/77/61/674177761.db2.gz JBUHUJMYOSXXJO-JOYOIKCWSA-N 1 0 327.410 -1.204 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054679283 674177915 /nfs/dbraw/zinc/17/79/15/674177915.db2.gz JBUHUJMYOSXXJO-SKDRFNHKSA-N 1 0 327.410 -1.204 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054681129 674177888 /nfs/dbraw/zinc/17/78/88/674177888.db2.gz PWMDMYDZLVHJSP-CMPLNLGQSA-N 1 0 329.422 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054681130 674177960 /nfs/dbraw/zinc/17/79/60/674177960.db2.gz PWMDMYDZLVHJSP-JQWIXIFHSA-N 1 0 329.422 -1.300 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054681131 674177873 /nfs/dbraw/zinc/17/78/73/674177873.db2.gz PWMDMYDZLVHJSP-PWSUYJOCSA-N 1 0 329.422 -1.300 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054681132 674177752 /nfs/dbraw/zinc/17/77/52/674177752.db2.gz PWMDMYDZLVHJSP-ZYHUDNBSSA-N 1 0 329.422 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054682350 674178217 /nfs/dbraw/zinc/17/82/17/674178217.db2.gz VRNKBEKXEKPPJI-CMPLNLGQSA-N 1 0 344.437 -1.507 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054682354 674178198 /nfs/dbraw/zinc/17/81/98/674178198.db2.gz VRNKBEKXEKPPJI-JQWIXIFHSA-N 1 0 344.437 -1.507 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054682357 674178124 /nfs/dbraw/zinc/17/81/24/674178124.db2.gz VRNKBEKXEKPPJI-PWSUYJOCSA-N 1 0 344.437 -1.507 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054682362 674178224 /nfs/dbraw/zinc/17/82/24/674178224.db2.gz VRNKBEKXEKPPJI-ZYHUDNBSSA-N 1 0 344.437 -1.507 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054686850 674178293 /nfs/dbraw/zinc/17/82/93/674178293.db2.gz SFOKVZZNDXWSJI-GHMZBOCLSA-N 1 0 335.368 -1.734 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054686853 674178277 /nfs/dbraw/zinc/17/82/77/674178277.db2.gz SFOKVZZNDXWSJI-MNOVXSKESA-N 1 0 335.368 -1.734 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054686855 674178276 /nfs/dbraw/zinc/17/82/76/674178276.db2.gz SFOKVZZNDXWSJI-QWRGUYRKSA-N 1 0 335.368 -1.734 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054686857 674178284 /nfs/dbraw/zinc/17/82/84/674178284.db2.gz SFOKVZZNDXWSJI-WDEREUQCSA-N 1 0 335.368 -1.734 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054690440 674178191 /nfs/dbraw/zinc/17/81/91/674178191.db2.gz ZJWGFJSJTSTLHP-NEPJUHHUSA-N 1 0 334.380 -1.136 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054690442 674178206 /nfs/dbraw/zinc/17/82/06/674178206.db2.gz ZJWGFJSJTSTLHP-NWDGAFQWSA-N 1 0 334.380 -1.136 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054690443 674178265 /nfs/dbraw/zinc/17/82/65/674178265.db2.gz ZJWGFJSJTSTLHP-RYUDHWBXSA-N 1 0 334.380 -1.136 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001054690444 674178294 /nfs/dbraw/zinc/17/82/94/674178294.db2.gz ZJWGFJSJTSTLHP-VXGBXAGGSA-N 1 0 334.380 -1.136 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054694122 674178302 /nfs/dbraw/zinc/17/83/02/674178302.db2.gz GOYZTSWDUKAAJW-NEPJUHHUSA-N 1 0 349.395 -2.327 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054694126 674178274 /nfs/dbraw/zinc/17/82/74/674178274.db2.gz GOYZTSWDUKAAJW-NWDGAFQWSA-N 1 0 349.395 -2.327 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054694129 674178300 /nfs/dbraw/zinc/17/83/00/674178300.db2.gz GOYZTSWDUKAAJW-RYUDHWBXSA-N 1 0 349.395 -2.327 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054694132 674178219 /nfs/dbraw/zinc/17/82/19/674178219.db2.gz GOYZTSWDUKAAJW-VXGBXAGGSA-N 1 0 349.395 -2.327 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054700495 674178085 /nfs/dbraw/zinc/17/80/85/674178085.db2.gz YNLLSZFCLAKYBB-CHWSQXEVSA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054700498 674178285 /nfs/dbraw/zinc/17/82/85/674178285.db2.gz YNLLSZFCLAKYBB-OLZOCXBDSA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054700502 674178278 /nfs/dbraw/zinc/17/82/78/674178278.db2.gz YNLLSZFCLAKYBB-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054700505 674178209 /nfs/dbraw/zinc/17/82/09/674178209.db2.gz YNLLSZFCLAKYBB-STQMWFEESA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054739596 674178247 /nfs/dbraw/zinc/17/82/47/674178247.db2.gz SPHLYEYVWRFXHO-GXSJLCMTSA-N 1 0 347.379 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054739602 674178155 /nfs/dbraw/zinc/17/81/55/674178155.db2.gz SPHLYEYVWRFXHO-KOLCDFICSA-N 1 0 347.379 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054739604 674178307 /nfs/dbraw/zinc/17/83/07/674178307.db2.gz SPHLYEYVWRFXHO-MWLCHTKSSA-N 1 0 347.379 -1.052 20 0 EAADRO C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054739605 674178242 /nfs/dbraw/zinc/17/82/42/674178242.db2.gz SPHLYEYVWRFXHO-ONGXEEELSA-N 1 0 347.379 -1.052 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054746664 674178226 /nfs/dbraw/zinc/17/82/26/674178226.db2.gz FKLWTTUMMUBOGQ-AAEUAGOBSA-N 1 0 336.396 -1.390 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054746667 674178282 /nfs/dbraw/zinc/17/82/82/674178282.db2.gz FKLWTTUMMUBOGQ-DGCLKSJQSA-N 1 0 336.396 -1.390 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054746669 674178213 /nfs/dbraw/zinc/17/82/13/674178213.db2.gz FKLWTTUMMUBOGQ-WCQYABFASA-N 1 0 336.396 -1.390 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054746674 674178187 /nfs/dbraw/zinc/17/81/87/674178187.db2.gz FKLWTTUMMUBOGQ-YPMHNXCESA-N 1 0 336.396 -1.390 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054749074 674178096 /nfs/dbraw/zinc/17/80/96/674178096.db2.gz KUOSKSQFCPDWDN-CHWSQXEVSA-N 1 0 338.408 -1.486 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054749078 674178066 /nfs/dbraw/zinc/17/80/66/674178066.db2.gz KUOSKSQFCPDWDN-OLZOCXBDSA-N 1 0 338.408 -1.486 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054749080 674178254 /nfs/dbraw/zinc/17/82/54/674178254.db2.gz KUOSKSQFCPDWDN-QWHCGFSZSA-N 1 0 338.408 -1.486 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054749084 674178534 /nfs/dbraw/zinc/17/85/34/674178534.db2.gz KUOSKSQFCPDWDN-STQMWFEESA-N 1 0 338.408 -1.486 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054750800 674178509 /nfs/dbraw/zinc/17/85/09/674178509.db2.gz NBJPUZIBUUTGLI-CHWSQXEVSA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054750806 674178678 /nfs/dbraw/zinc/17/86/78/674178678.db2.gz NBJPUZIBUUTGLI-OLZOCXBDSA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054750809 674178572 /nfs/dbraw/zinc/17/85/72/674178572.db2.gz NBJPUZIBUUTGLI-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054750813 674178717 /nfs/dbraw/zinc/17/87/17/674178717.db2.gz NBJPUZIBUUTGLI-STQMWFEESA-N 1 0 336.396 -1.427 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054751856 674178497 /nfs/dbraw/zinc/17/84/97/674178497.db2.gz IDTFVMKLWQAYAX-AAEUAGOBSA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054751863 674178548 /nfs/dbraw/zinc/17/85/48/674178548.db2.gz IDTFVMKLWQAYAX-DGCLKSJQSA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054751864 674178496 /nfs/dbraw/zinc/17/84/96/674178496.db2.gz IDTFVMKLWQAYAX-WCQYABFASA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054751867 674178585 /nfs/dbraw/zinc/17/85/85/674178585.db2.gz IDTFVMKLWQAYAX-YPMHNXCESA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054753677 674178740 /nfs/dbraw/zinc/17/87/40/674178740.db2.gz AHEXOJUMPVWZIV-NXEZZACHSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054753686 674178533 /nfs/dbraw/zinc/17/85/33/674178533.db2.gz AHEXOJUMPVWZIV-UWVGGRQHSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054753689 674178547 /nfs/dbraw/zinc/17/85/47/674178547.db2.gz AHEXOJUMPVWZIV-VHSXEESVSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054753692 674178671 /nfs/dbraw/zinc/17/86/71/674178671.db2.gz AHEXOJUMPVWZIV-ZJUUUORDSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054762672 674178515 /nfs/dbraw/zinc/17/85/15/674178515.db2.gz MNJPCLPTTWRRGV-GHMZBOCLSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054762673 674178553 /nfs/dbraw/zinc/17/85/53/674178553.db2.gz MNJPCLPTTWRRGV-MNOVXSKESA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054762674 674178690 /nfs/dbraw/zinc/17/86/90/674178690.db2.gz MNJPCLPTTWRRGV-QWRGUYRKSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054762675 674178617 /nfs/dbraw/zinc/17/86/17/674178617.db2.gz MNJPCLPTTWRRGV-WDEREUQCSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054765991 674178653 /nfs/dbraw/zinc/17/86/53/674178653.db2.gz RYKPTJOUJYIEAA-NEPJUHHUSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054765993 674178721 /nfs/dbraw/zinc/17/87/21/674178721.db2.gz RYKPTJOUJYIEAA-NWDGAFQWSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054765995 674178545 /nfs/dbraw/zinc/17/85/45/674178545.db2.gz RYKPTJOUJYIEAA-RYUDHWBXSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001054765997 674178673 /nfs/dbraw/zinc/17/86/73/674178673.db2.gz RYKPTJOUJYIEAA-VXGBXAGGSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054768558 674178627 /nfs/dbraw/zinc/17/86/27/674178627.db2.gz UCDIHYZMLKBWDV-PSASIEDQSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054768561 674178554 /nfs/dbraw/zinc/17/85/54/674178554.db2.gz UCDIHYZMLKBWDV-SCZZXKLOSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054768565 674178700 /nfs/dbraw/zinc/17/87/00/674178700.db2.gz UCDIHYZMLKBWDV-WCBMZHEXSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054768569 674178538 /nfs/dbraw/zinc/17/85/38/674178538.db2.gz UCDIHYZMLKBWDV-WPRPVWTQSA-N 1 0 333.352 -1.146 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054774113 674178527 /nfs/dbraw/zinc/17/85/27/674178527.db2.gz HYQYIKWHHKKFEH-GXSJLCMTSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054774115 674179005 /nfs/dbraw/zinc/17/90/05/674179005.db2.gz HYQYIKWHHKKFEH-KOLCDFICSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054774116 674179110 /nfs/dbraw/zinc/17/91/10/674179110.db2.gz HYQYIKWHHKKFEH-MWLCHTKSSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054774118 674178869 /nfs/dbraw/zinc/17/88/69/674178869.db2.gz HYQYIKWHHKKFEH-ONGXEEELSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054778568 674178970 /nfs/dbraw/zinc/17/89/70/674178970.db2.gz QBGCHNHVSYFIRI-GXSJLCMTSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054778572 674179114 /nfs/dbraw/zinc/17/91/14/674179114.db2.gz QBGCHNHVSYFIRI-KOLCDFICSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054778574 674178995 /nfs/dbraw/zinc/17/89/95/674178995.db2.gz QBGCHNHVSYFIRI-MWLCHTKSSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054778577 674179000 /nfs/dbraw/zinc/17/90/00/674179000.db2.gz QBGCHNHVSYFIRI-ONGXEEELSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054780918 674178907 /nfs/dbraw/zinc/17/89/07/674178907.db2.gz VKSVCHATQVIIFX-GXSJLCMTSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054780919 674179017 /nfs/dbraw/zinc/17/90/17/674179017.db2.gz VKSVCHATQVIIFX-KOLCDFICSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054780920 674179041 /nfs/dbraw/zinc/17/90/41/674179041.db2.gz VKSVCHATQVIIFX-MWLCHTKSSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001054780921 674179076 /nfs/dbraw/zinc/17/90/76/674179076.db2.gz VKSVCHATQVIIFX-ONGXEEELSA-N 1 0 348.363 -1.216 20 0 EAADRO C[C@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1[NH2+]CC(N)=O ZINC001054794625 674178887 /nfs/dbraw/zinc/17/88/87/674178887.db2.gz QANYBJXROZLGHH-GXSJLCMTSA-N 1 0 329.422 -1.267 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1[NH2+]CC(N)=O ZINC001054794626 674179059 /nfs/dbraw/zinc/17/90/59/674179059.db2.gz QANYBJXROZLGHH-KOLCDFICSA-N 1 0 329.422 -1.267 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1[NH2+]CC(N)=O ZINC001054794627 674178986 /nfs/dbraw/zinc/17/89/86/674178986.db2.gz QANYBJXROZLGHH-MWLCHTKSSA-N 1 0 329.422 -1.267 20 0 EAADRO C[C@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1[NH2+]CC(N)=O ZINC001054794628 674178850 /nfs/dbraw/zinc/17/88/50/674178850.db2.gz QANYBJXROZLGHH-ONGXEEELSA-N 1 0 329.422 -1.267 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054815086 674179125 /nfs/dbraw/zinc/17/91/25/674179125.db2.gz DDZCFLUBMYINOM-KBPBESRZSA-N 1 0 349.439 -1.511 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054815093 674179023 /nfs/dbraw/zinc/17/90/23/674179023.db2.gz DDZCFLUBMYINOM-KGLIPLIRSA-N 1 0 349.439 -1.511 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054815095 674179013 /nfs/dbraw/zinc/17/90/13/674179013.db2.gz DDZCFLUBMYINOM-UONOGXRCSA-N 1 0 349.439 -1.511 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054815098 674179147 /nfs/dbraw/zinc/17/91/47/674179147.db2.gz DDZCFLUBMYINOM-ZIAGYGMSSA-N 1 0 349.439 -1.511 20 0 EAADRO C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1[NH2+]CC(N)=O ZINC001054816881 674179445 /nfs/dbraw/zinc/17/94/45/674179445.db2.gz WYPAJDGUCRUAOR-APPZFPTMSA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1[NH2+]CC(N)=O ZINC001054816885 674179522 /nfs/dbraw/zinc/17/95/22/674179522.db2.gz WYPAJDGUCRUAOR-CBAPKCEASA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1[NH2+]CC(N)=O ZINC001054816887 674179336 /nfs/dbraw/zinc/17/93/36/674179336.db2.gz WYPAJDGUCRUAOR-IONNQARKSA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1[NH2+]CC(N)=O ZINC001054816889 674179467 /nfs/dbraw/zinc/17/94/67/674179467.db2.gz WYPAJDGUCRUAOR-VXNVDRBHSA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054817145 674179374 /nfs/dbraw/zinc/17/93/74/674179374.db2.gz YLEHWHQWOJMFGV-GXTWGEPZSA-N 1 0 349.439 -1.474 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054817146 674179291 /nfs/dbraw/zinc/17/92/91/674179291.db2.gz YLEHWHQWOJMFGV-JSGCOSHPSA-N 1 0 349.439 -1.474 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054817147 674179454 /nfs/dbraw/zinc/17/94/54/674179454.db2.gz YLEHWHQWOJMFGV-OCCSQVGLSA-N 1 0 349.439 -1.474 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054817148 674179366 /nfs/dbraw/zinc/17/93/66/674179366.db2.gz YLEHWHQWOJMFGV-TZMCWYRMSA-N 1 0 349.439 -1.474 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054819010 674179499 /nfs/dbraw/zinc/17/94/99/674179499.db2.gz ADGNBLRGHKSVNG-AAEUAGOBSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054819011 674179430 /nfs/dbraw/zinc/17/94/30/674179430.db2.gz ADGNBLRGHKSVNG-DGCLKSJQSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054819012 674179399 /nfs/dbraw/zinc/17/93/99/674179399.db2.gz ADGNBLRGHKSVNG-WCQYABFASA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054819013 674179323 /nfs/dbraw/zinc/17/93/23/674179323.db2.gz ADGNBLRGHKSVNG-YPMHNXCESA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1nccn1C ZINC001054819082 674179353 /nfs/dbraw/zinc/17/93/53/674179353.db2.gz BGQNPNSPWXFCQA-NEPJUHHUSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1nccn1C ZINC001054819083 674179501 /nfs/dbraw/zinc/17/95/01/674179501.db2.gz BGQNPNSPWXFCQA-NWDGAFQWSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1nccn1C ZINC001054819084 674179311 /nfs/dbraw/zinc/17/93/11/674179311.db2.gz BGQNPNSPWXFCQA-RYUDHWBXSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1nccn1C ZINC001054819085 674179441 /nfs/dbraw/zinc/17/94/41/674179441.db2.gz BGQNPNSPWXFCQA-VXGBXAGGSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054819334 674179538 /nfs/dbraw/zinc/17/95/38/674179538.db2.gz GMGLERZNKZIJNG-AAEUAGOBSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cncn1C ZINC001054819335 674179388 /nfs/dbraw/zinc/17/93/88/674179388.db2.gz GMGLERZNKZIJNG-DGCLKSJQSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cncn1C ZINC001054819336 674179491 /nfs/dbraw/zinc/17/94/91/674179491.db2.gz GMGLERZNKZIJNG-WCQYABFASA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054819337 674179331 /nfs/dbraw/zinc/17/93/31/674179331.db2.gz GMGLERZNKZIJNG-YPMHNXCESA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001054819990 674179279 /nfs/dbraw/zinc/17/92/79/674179279.db2.gz MSHNJDOTWLZTLD-AAEUAGOBSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001054819991 674179267 /nfs/dbraw/zinc/17/92/67/674179267.db2.gz MSHNJDOTWLZTLD-DGCLKSJQSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001054819992 674179435 /nfs/dbraw/zinc/17/94/35/674179435.db2.gz MSHNJDOTWLZTLD-WCQYABFASA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001054819993 674179535 /nfs/dbraw/zinc/17/95/35/674179535.db2.gz MSHNJDOTWLZTLD-YPMHNXCESA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054820142 674179509 /nfs/dbraw/zinc/17/95/09/674179509.db2.gz NNNWANQJOXRVDW-NEPJUHHUSA-N 1 0 336.396 -1.749 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054820143 674179304 /nfs/dbraw/zinc/17/93/04/674179304.db2.gz NNNWANQJOXRVDW-NWDGAFQWSA-N 1 0 336.396 -1.749 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054820144 674179298 /nfs/dbraw/zinc/17/92/98/674179298.db2.gz NNNWANQJOXRVDW-RYUDHWBXSA-N 1 0 336.396 -1.749 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054820145 674179531 /nfs/dbraw/zinc/17/95/31/674179531.db2.gz NNNWANQJOXRVDW-VXGBXAGGSA-N 1 0 336.396 -1.749 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054820588 674179809 /nfs/dbraw/zinc/17/98/09/674179809.db2.gz PREZAKMHQCVZOW-AAEUAGOBSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054820589 674179772 /nfs/dbraw/zinc/17/97/72/674179772.db2.gz PREZAKMHQCVZOW-DGCLKSJQSA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054820590 674179676 /nfs/dbraw/zinc/17/96/76/674179676.db2.gz PREZAKMHQCVZOW-WCQYABFASA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054820591 674179787 /nfs/dbraw/zinc/17/97/87/674179787.db2.gz PREZAKMHQCVZOW-YPMHNXCESA-N 1 0 333.396 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054820684 674179804 /nfs/dbraw/zinc/17/98/04/674179804.db2.gz RGIRGRSKAYNWKG-CMPLNLGQSA-N 1 0 334.384 -1.653 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054820685 674179832 /nfs/dbraw/zinc/17/98/32/674179832.db2.gz RGIRGRSKAYNWKG-JQWIXIFHSA-N 1 0 334.384 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054820686 674179758 /nfs/dbraw/zinc/17/97/58/674179758.db2.gz RGIRGRSKAYNWKG-PWSUYJOCSA-N 1 0 334.384 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054820687 674179823 /nfs/dbraw/zinc/17/98/23/674179823.db2.gz RGIRGRSKAYNWKG-ZYHUDNBSSA-N 1 0 334.384 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCn1cccn1 ZINC001054822662 674179866 /nfs/dbraw/zinc/17/98/66/674179866.db2.gz AFDJYVWQEKMHGH-CHWSQXEVSA-N 1 0 333.396 -1.085 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054822663 674179851 /nfs/dbraw/zinc/17/98/51/674179851.db2.gz AFDJYVWQEKMHGH-OLZOCXBDSA-N 1 0 333.396 -1.085 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCn1cccn1 ZINC001054822664 674179818 /nfs/dbraw/zinc/17/98/18/674179818.db2.gz AFDJYVWQEKMHGH-QWHCGFSZSA-N 1 0 333.396 -1.085 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054822665 674179865 /nfs/dbraw/zinc/17/98/65/674179865.db2.gz AFDJYVWQEKMHGH-STQMWFEESA-N 1 0 333.396 -1.085 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054822758 674179868 /nfs/dbraw/zinc/17/98/68/674179868.db2.gz CDVMIMZZBFJNDN-NEPJUHHUSA-N 1 0 334.384 -1.690 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054822759 674179883 /nfs/dbraw/zinc/17/98/83/674179883.db2.gz CDVMIMZZBFJNDN-NWDGAFQWSA-N 1 0 334.384 -1.690 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054822760 674179820 /nfs/dbraw/zinc/17/98/20/674179820.db2.gz CDVMIMZZBFJNDN-RYUDHWBXSA-N 1 0 334.384 -1.690 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054822761 674179670 /nfs/dbraw/zinc/17/96/70/674179670.db2.gz CDVMIMZZBFJNDN-VXGBXAGGSA-N 1 0 334.384 -1.690 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCc1ccnn1C ZINC001054822894 674179867 /nfs/dbraw/zinc/17/98/67/674179867.db2.gz DOYDVIKLWACOIL-GXTWGEPZSA-N 1 0 347.423 -1.006 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCc1ccnn1C ZINC001054822895 674179861 /nfs/dbraw/zinc/17/98/61/674179861.db2.gz DOYDVIKLWACOIL-JSGCOSHPSA-N 1 0 347.423 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCc1ccnn1C ZINC001054822896 674179871 /nfs/dbraw/zinc/17/98/71/674179871.db2.gz DOYDVIKLWACOIL-OCCSQVGLSA-N 1 0 347.423 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCc1ccnn1C ZINC001054822897 674179862 /nfs/dbraw/zinc/17/98/62/674179862.db2.gz DOYDVIKLWACOIL-TZMCWYRMSA-N 1 0 347.423 -1.006 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001054822922 674179724 /nfs/dbraw/zinc/17/97/24/674179724.db2.gz DTCOVZVQJLOKOW-GXTWGEPZSA-N 1 0 347.423 -1.006 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC001054822923 674179877 /nfs/dbraw/zinc/17/98/77/674179877.db2.gz DTCOVZVQJLOKOW-JSGCOSHPSA-N 1 0 347.423 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC001054822924 674179873 /nfs/dbraw/zinc/17/98/73/674179873.db2.gz DTCOVZVQJLOKOW-OCCSQVGLSA-N 1 0 347.423 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001054822925 674179882 /nfs/dbraw/zinc/17/98/82/674179882.db2.gz DTCOVZVQJLOKOW-TZMCWYRMSA-N 1 0 347.423 -1.006 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001054823866 674180149 /nfs/dbraw/zinc/18/01/49/674180149.db2.gz SMBIQHIFNKLBGI-AAEUAGOBSA-N 1 0 348.411 -1.170 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001054823867 674180151 /nfs/dbraw/zinc/18/01/51/674180151.db2.gz SMBIQHIFNKLBGI-DGCLKSJQSA-N 1 0 348.411 -1.170 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001054823868 674180141 /nfs/dbraw/zinc/18/01/41/674180141.db2.gz SMBIQHIFNKLBGI-WCQYABFASA-N 1 0 348.411 -1.170 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001054823869 674180222 /nfs/dbraw/zinc/18/02/22/674180222.db2.gz SMBIQHIFNKLBGI-YPMHNXCESA-N 1 0 348.411 -1.170 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1[NH2+]CC(N)=O ZINC001054833136 674180033 /nfs/dbraw/zinc/18/00/33/674180033.db2.gz DJQLHKUHDDFERM-NXEZZACHSA-N 1 0 333.352 -1.145 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1[NH2+]CC(N)=O ZINC001054833137 674180073 /nfs/dbraw/zinc/18/00/73/674180073.db2.gz DJQLHKUHDDFERM-UWVGGRQHSA-N 1 0 333.352 -1.145 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1[NH2+]CC(N)=O ZINC001054833138 674180084 /nfs/dbraw/zinc/18/00/84/674180084.db2.gz DJQLHKUHDDFERM-VHSXEESVSA-N 1 0 333.352 -1.145 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1[NH2+]CC(N)=O ZINC001054833139 674180047 /nfs/dbraw/zinc/18/00/47/674180047.db2.gz DJQLHKUHDDFERM-ZJUUUORDSA-N 1 0 333.352 -1.145 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054844148 674180068 /nfs/dbraw/zinc/18/00/68/674180068.db2.gz GWWOLCHKXXUDEE-CMPLNLGQSA-N 1 0 342.425 -1.110 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054844153 674180148 /nfs/dbraw/zinc/18/01/48/674180148.db2.gz GWWOLCHKXXUDEE-JQWIXIFHSA-N 1 0 342.425 -1.110 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054844154 674180201 /nfs/dbraw/zinc/18/02/01/674180201.db2.gz GWWOLCHKXXUDEE-PWSUYJOCSA-N 1 0 342.425 -1.110 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001054844156 674180164 /nfs/dbraw/zinc/18/01/64/674180164.db2.gz GWWOLCHKXXUDEE-ZYHUDNBSSA-N 1 0 342.425 -1.110 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054845490 674180131 /nfs/dbraw/zinc/18/01/31/674180131.db2.gz USZJBONRLVCRNA-BXKDBHETSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054845491 674180166 /nfs/dbraw/zinc/18/01/66/674180166.db2.gz USZJBONRLVCRNA-CABZTGNLSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054845492 674180052 /nfs/dbraw/zinc/18/00/52/674180052.db2.gz USZJBONRLVCRNA-JOYOIKCWSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001054845493 674180154 /nfs/dbraw/zinc/18/01/54/674180154.db2.gz USZJBONRLVCRNA-SKDRFNHKSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054845518 674180109 /nfs/dbraw/zinc/18/01/09/674180109.db2.gz UXOPMKNSZVZDFD-GXSJLCMTSA-N 1 0 335.368 -2.187 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054845519 674180062 /nfs/dbraw/zinc/18/00/62/674180062.db2.gz UXOPMKNSZVZDFD-KOLCDFICSA-N 1 0 335.368 -2.187 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054845520 674180096 /nfs/dbraw/zinc/18/00/96/674180096.db2.gz UXOPMKNSZVZDFD-MWLCHTKSSA-N 1 0 335.368 -2.187 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054845521 674180159 /nfs/dbraw/zinc/18/01/59/674180159.db2.gz UXOPMKNSZVZDFD-ONGXEEELSA-N 1 0 335.368 -2.187 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1[NH2+]CC(N)=O ZINC001054853481 674180129 /nfs/dbraw/zinc/18/01/29/674180129.db2.gz GUCZYMIUYJAIKQ-HTQZYQBOSA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1[NH2+]CC(N)=O ZINC001054853482 674180163 /nfs/dbraw/zinc/18/01/63/674180163.db2.gz GUCZYMIUYJAIKQ-JGVFFNPUSA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1[NH2+]CC(N)=O ZINC001054853483 674180173 /nfs/dbraw/zinc/18/01/73/674180173.db2.gz GUCZYMIUYJAIKQ-SFYZADRCSA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1[NH2+]CC(N)=O ZINC001054853484 674180044 /nfs/dbraw/zinc/18/00/44/674180044.db2.gz GUCZYMIUYJAIKQ-YUMQZZPRSA-N 1 0 330.366 -1.538 20 0 EAADRO C[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1[NH2+]CC(N)=O ZINC001054866945 674180393 /nfs/dbraw/zinc/18/03/93/674180393.db2.gz OUHBUYAXXZAWLN-GZMMTYOYSA-N 1 0 333.348 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1[NH2+]CC(N)=O ZINC001054866946 674180389 /nfs/dbraw/zinc/18/03/89/674180389.db2.gz OUHBUYAXXZAWLN-KCJUWKMLSA-N 1 0 333.348 -1.052 20 0 EAADRO C[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1[NH2+]CC(N)=O ZINC001054866947 674180503 /nfs/dbraw/zinc/18/05/03/674180503.db2.gz OUHBUYAXXZAWLN-KWQFWETISA-N 1 0 333.348 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1[NH2+]CC(N)=O ZINC001054866948 674180588 /nfs/dbraw/zinc/18/05/88/674180588.db2.gz OUHBUYAXXZAWLN-LDYMZIIASA-N 1 0 333.348 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054870161 674180870 /nfs/dbraw/zinc/18/08/70/674180870.db2.gz QKWWOSFJXHXPDT-NEPJUHHUSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)c2cncn2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054870162 674180792 /nfs/dbraw/zinc/18/07/92/674180792.db2.gz QKWWOSFJXHXPDT-NWDGAFQWSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054870163 674180966 /nfs/dbraw/zinc/18/09/66/674180966.db2.gz QKWWOSFJXHXPDT-RYUDHWBXSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054870164 674180724 /nfs/dbraw/zinc/18/07/24/674180724.db2.gz QKWWOSFJXHXPDT-VXGBXAGGSA-N 1 0 348.407 -1.571 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054872433 674180904 /nfs/dbraw/zinc/18/09/04/674180904.db2.gz JJVFOIGAKLDQDO-NEPJUHHUSA-N 1 0 349.391 -1.382 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054872434 674180742 /nfs/dbraw/zinc/18/07/42/674180742.db2.gz JJVFOIGAKLDQDO-NWDGAFQWSA-N 1 0 349.391 -1.382 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054872435 674180900 /nfs/dbraw/zinc/18/09/00/674180900.db2.gz JJVFOIGAKLDQDO-RYUDHWBXSA-N 1 0 349.391 -1.382 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054872436 674180826 /nfs/dbraw/zinc/18/08/26/674180826.db2.gz JJVFOIGAKLDQDO-VXGBXAGGSA-N 1 0 349.391 -1.382 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054874272 674180938 /nfs/dbraw/zinc/18/09/38/674180938.db2.gz KFCCSSABGAHHPB-NEPJUHHUSA-N 1 0 347.379 -1.323 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054874273 674180740 /nfs/dbraw/zinc/18/07/40/674180740.db2.gz KFCCSSABGAHHPB-NWDGAFQWSA-N 1 0 347.379 -1.323 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054874274 674180835 /nfs/dbraw/zinc/18/08/35/674180835.db2.gz KFCCSSABGAHHPB-RYUDHWBXSA-N 1 0 347.379 -1.323 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054874275 674180803 /nfs/dbraw/zinc/18/08/03/674180803.db2.gz KFCCSSABGAHHPB-VXGBXAGGSA-N 1 0 347.379 -1.323 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054874380 674180864 /nfs/dbraw/zinc/18/08/64/674180864.db2.gz LOMJMVAKTAOXNQ-CMPLNLGQSA-N 1 0 347.379 -1.286 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054874381 674180959 /nfs/dbraw/zinc/18/09/59/674180959.db2.gz LOMJMVAKTAOXNQ-JQWIXIFHSA-N 1 0 347.379 -1.286 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054874382 674180806 /nfs/dbraw/zinc/18/08/06/674180806.db2.gz LOMJMVAKTAOXNQ-PWSUYJOCSA-N 1 0 347.379 -1.286 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054874383 674180962 /nfs/dbraw/zinc/18/09/62/674180962.db2.gz LOMJMVAKTAOXNQ-ZYHUDNBSSA-N 1 0 347.379 -1.286 20 0 EAADRO COCCn1nc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(N)=O)C2)ccc1=O ZINC001054879565 674181233 /nfs/dbraw/zinc/18/12/33/674181233.db2.gz JVBGOGQMMUVLFH-CMPLNLGQSA-N 1 0 337.380 -1.575 20 0 EAADRO COCCn1nc(C(=O)N2C[C@H]([NH2+]CC(N)=O)[C@@H](C)C2)ccc1=O ZINC001054879566 674181185 /nfs/dbraw/zinc/18/11/85/674181185.db2.gz JVBGOGQMMUVLFH-JQWIXIFHSA-N 1 0 337.380 -1.575 20 0 EAADRO COCCn1nc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C2)ccc1=O ZINC001054879567 674181291 /nfs/dbraw/zinc/18/12/91/674181291.db2.gz JVBGOGQMMUVLFH-PWSUYJOCSA-N 1 0 337.380 -1.575 20 0 EAADRO COCCn1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)ccc1=O ZINC001054879568 674181198 /nfs/dbraw/zinc/18/11/98/674181198.db2.gz JVBGOGQMMUVLFH-ZYHUDNBSSA-N 1 0 337.380 -1.575 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1[NH2+]CC(N)=O ZINC001054911958 674181223 /nfs/dbraw/zinc/18/12/23/674181223.db2.gz PTBVHXJRWOYDIT-GHMZBOCLSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054911959 674181160 /nfs/dbraw/zinc/18/11/60/674181160.db2.gz PTBVHXJRWOYDIT-MNOVXSKESA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054911960 674181219 /nfs/dbraw/zinc/18/12/19/674181219.db2.gz PTBVHXJRWOYDIT-QWRGUYRKSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1[NH2+]CC(N)=O ZINC001054911961 674181328 /nfs/dbraw/zinc/18/13/28/674181328.db2.gz PTBVHXJRWOYDIT-WDEREUQCSA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054920126 674181117 /nfs/dbraw/zinc/18/11/17/674181117.db2.gz NPZIBMNXQJQCOZ-NXEZZACHSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054920129 674181096 /nfs/dbraw/zinc/18/10/96/674181096.db2.gz NPZIBMNXQJQCOZ-UWVGGRQHSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054920131 674181373 /nfs/dbraw/zinc/18/13/73/674181373.db2.gz NPZIBMNXQJQCOZ-VHSXEESVSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054920133 674181227 /nfs/dbraw/zinc/18/12/27/674181227.db2.gz NPZIBMNXQJQCOZ-ZJUUUORDSA-N 1 0 347.379 -1.548 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054922126 674181201 /nfs/dbraw/zinc/18/12/01/674181201.db2.gz IQGMLQOQQASPCM-NEPJUHHUSA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054922127 674181362 /nfs/dbraw/zinc/18/13/62/674181362.db2.gz IQGMLQOQQASPCM-NWDGAFQWSA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054922128 674181183 /nfs/dbraw/zinc/18/11/83/674181183.db2.gz IQGMLQOQQASPCM-RYUDHWBXSA-N 1 0 348.407 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054922129 674181281 /nfs/dbraw/zinc/18/12/81/674181281.db2.gz IQGMLQOQQASPCM-VXGBXAGGSA-N 1 0 348.407 -1.144 20 0 EAADRO CCn1cc(CC(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001054924575 674181206 /nfs/dbraw/zinc/18/12/06/674181206.db2.gz GYDCPCKIVDNXHM-CMPLNLGQSA-N 1 0 348.411 -1.101 20 0 EAADRO CCn1cc(CC(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)nn1 ZINC001054924576 674181528 /nfs/dbraw/zinc/18/15/28/674181528.db2.gz GYDCPCKIVDNXHM-JQWIXIFHSA-N 1 0 348.411 -1.101 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001054924577 674181584 /nfs/dbraw/zinc/18/15/84/674181584.db2.gz GYDCPCKIVDNXHM-PWSUYJOCSA-N 1 0 348.411 -1.101 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001054924578 674181701 /nfs/dbraw/zinc/18/17/01/674181701.db2.gz GYDCPCKIVDNXHM-ZYHUDNBSSA-N 1 0 348.411 -1.101 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054928951 674181749 /nfs/dbraw/zinc/18/17/49/674181749.db2.gz COERCJBDVIWACK-CHWSQXEVSA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054928952 674181738 /nfs/dbraw/zinc/18/17/38/674181738.db2.gz COERCJBDVIWACK-OLZOCXBDSA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001054928953 674181594 /nfs/dbraw/zinc/18/15/94/674181594.db2.gz COERCJBDVIWACK-QWHCGFSZSA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054928954 674181504 /nfs/dbraw/zinc/18/15/04/674181504.db2.gz COERCJBDVIWACK-STQMWFEESA-N 1 0 348.411 -1.300 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054929428 674181533 /nfs/dbraw/zinc/18/15/33/674181533.db2.gz GIAWUHCQFWQJAO-AAEUAGOBSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054929429 674181775 /nfs/dbraw/zinc/18/17/75/674181775.db2.gz GIAWUHCQFWQJAO-DGCLKSJQSA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054929430 674181783 /nfs/dbraw/zinc/18/17/83/674181783.db2.gz GIAWUHCQFWQJAO-WCQYABFASA-N 1 0 348.411 -1.263 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054929431 674181568 /nfs/dbraw/zinc/18/15/68/674181568.db2.gz GIAWUHCQFWQJAO-YPMHNXCESA-N 1 0 348.411 -1.263 20 0 EAADRO Cc1cn2nc(C(=O)N3C[C@H](C)[C@H]([NH2+]CC(N)=O)C3)cc2c(=O)[nH]1 ZINC001054929765 674181576 /nfs/dbraw/zinc/18/15/76/674181576.db2.gz HUURQVAWXKTBPZ-GZMMTYOYSA-N 1 0 332.364 -1.134 20 0 EAADRO Cc1cn2nc(C(=O)N3C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C3)cc2c(=O)[nH]1 ZINC001054929767 674181630 /nfs/dbraw/zinc/18/16/30/674181630.db2.gz HUURQVAWXKTBPZ-KCJUWKMLSA-N 1 0 332.364 -1.134 20 0 EAADRO Cc1cn2nc(C(=O)N3C[C@H]([NH2+]CC(N)=O)[C@@H](C)C3)cc2c(=O)[nH]1 ZINC001054929768 674181561 /nfs/dbraw/zinc/18/15/61/674181561.db2.gz HUURQVAWXKTBPZ-KWQFWETISA-N 1 0 332.364 -1.134 20 0 EAADRO Cc1cn2nc(C(=O)N3C[C@@H](C)[C@H]([NH2+]CC(N)=O)C3)cc2c(=O)[nH]1 ZINC001054929769 674181692 /nfs/dbraw/zinc/18/16/92/674181692.db2.gz HUURQVAWXKTBPZ-LDYMZIIASA-N 1 0 332.364 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1[NH2+]CC(N)=O ZINC001054930150 674181556 /nfs/dbraw/zinc/18/15/56/674181556.db2.gz JOJARJBSCMVNAJ-BXKDBHETSA-N 1 0 330.352 -1.407 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1[NH2+]CC(N)=O ZINC001054930151 674181597 /nfs/dbraw/zinc/18/15/97/674181597.db2.gz JOJARJBSCMVNAJ-CABZTGNLSA-N 1 0 330.352 -1.407 20 0 EAADRO C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1[NH2+]CC(N)=O ZINC001054930152 674181485 /nfs/dbraw/zinc/18/14/85/674181485.db2.gz JOJARJBSCMVNAJ-JOYOIKCWSA-N 1 0 330.352 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1[NH2+]CC(N)=O ZINC001054930153 674181663 /nfs/dbraw/zinc/18/16/63/674181663.db2.gz JOJARJBSCMVNAJ-SKDRFNHKSA-N 1 0 330.352 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054946939 674181526 /nfs/dbraw/zinc/18/15/26/674181526.db2.gz TYNOMDAREOWRGK-GHMZBOCLSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054946940 674181540 /nfs/dbraw/zinc/18/15/40/674181540.db2.gz TYNOMDAREOWRGK-MNOVXSKESA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@H]1CN(C(=O)c2cnco2)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054946941 674181548 /nfs/dbraw/zinc/18/15/48/674181548.db2.gz TYNOMDAREOWRGK-QWRGUYRKSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@H]1CN(C(=O)c2cnco2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001054946942 674181610 /nfs/dbraw/zinc/18/16/10/674181610.db2.gz TYNOMDAREOWRGK-WDEREUQCSA-N 1 0 335.364 -1.317 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1[NH2+]CC(N)=O ZINC001054953012 674181498 /nfs/dbraw/zinc/18/14/98/674181498.db2.gz ZZNQLTNYOSVYOM-GHMZBOCLSA-N 1 0 332.364 -1.582 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054953013 674182051 /nfs/dbraw/zinc/18/20/51/674182051.db2.gz ZZNQLTNYOSVYOM-MNOVXSKESA-N 1 0 332.364 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054953014 674181894 /nfs/dbraw/zinc/18/18/94/674181894.db2.gz ZZNQLTNYOSVYOM-QWRGUYRKSA-N 1 0 332.364 -1.582 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1[NH2+]CC(N)=O ZINC001054953015 674181829 /nfs/dbraw/zinc/18/18/29/674181829.db2.gz ZZNQLTNYOSVYOM-WDEREUQCSA-N 1 0 332.364 -1.582 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C2)nn1-c1nc[nH]n1 ZINC001054955646 674182066 /nfs/dbraw/zinc/18/20/66/674182066.db2.gz XGBOQARLPPSKKH-APPZFPTMSA-N 1 0 333.356 -1.771 20 0 EAADRO Cc1nc(C(=O)N2C[C@H]([NH2+]CC(N)=O)[C@@H](C)C2)nn1-c1nc[nH]n1 ZINC001054955651 674182100 /nfs/dbraw/zinc/18/21/00/674182100.db2.gz XGBOQARLPPSKKH-CBAPKCEASA-N 1 0 333.356 -1.771 20 0 EAADRO Cc1nc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(N)=O)C2)nn1-c1nc[nH]n1 ZINC001054955652 674182095 /nfs/dbraw/zinc/18/20/95/674182095.db2.gz XGBOQARLPPSKKH-IONNQARKSA-N 1 0 333.356 -1.771 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)nn1-c1nc[nH]n1 ZINC001054955654 674182080 /nfs/dbraw/zinc/18/20/80/674182080.db2.gz XGBOQARLPPSKKH-VXNVDRBHSA-N 1 0 333.356 -1.771 20 0 EAADRO Cc1n[nH]cc1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054957678 674182089 /nfs/dbraw/zinc/18/20/89/674182089.db2.gz SBNUNRGTIGCACA-GWCFXTLKSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1n[nH]cc1C(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054957679 674181936 /nfs/dbraw/zinc/18/19/36/674181936.db2.gz SBNUNRGTIGCACA-GXFFZTMASA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054957680 674182045 /nfs/dbraw/zinc/18/20/45/674182045.db2.gz SBNUNRGTIGCACA-MFKMUULPSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054957681 674182093 /nfs/dbraw/zinc/18/20/93/674182093.db2.gz SBNUNRGTIGCACA-ZWNOBZJWSA-N 1 0 348.407 -1.273 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054964707 674181815 /nfs/dbraw/zinc/18/18/15/674181815.db2.gz IZNHLWPVBVUQJB-GXSJLCMTSA-N 1 0 349.395 -1.878 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054964708 674182012 /nfs/dbraw/zinc/18/20/12/674182012.db2.gz IZNHLWPVBVUQJB-KOLCDFICSA-N 1 0 349.395 -1.878 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001054964709 674182118 /nfs/dbraw/zinc/18/21/18/674182118.db2.gz IZNHLWPVBVUQJB-MWLCHTKSSA-N 1 0 349.395 -1.878 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054964710 674181972 /nfs/dbraw/zinc/18/19/72/674181972.db2.gz IZNHLWPVBVUQJB-ONGXEEELSA-N 1 0 349.395 -1.878 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001054965344 674182098 /nfs/dbraw/zinc/18/20/98/674182098.db2.gz OLTPAWBPMWKZKK-PSASIEDQSA-N 1 0 335.368 -1.285 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001054965345 674182020 /nfs/dbraw/zinc/18/20/20/674182020.db2.gz OLTPAWBPMWKZKK-SCZZXKLOSA-N 1 0 335.368 -1.285 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001054965346 674182107 /nfs/dbraw/zinc/18/21/07/674182107.db2.gz OLTPAWBPMWKZKK-WCBMZHEXSA-N 1 0 335.368 -1.285 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC001054965347 674182063 /nfs/dbraw/zinc/18/20/63/674182063.db2.gz OLTPAWBPMWKZKK-WPRPVWTQSA-N 1 0 335.368 -1.285 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001054968001 674182386 /nfs/dbraw/zinc/18/23/86/674182386.db2.gz AHCULEYHOLRONE-GXTWGEPZSA-N 1 0 349.439 -1.334 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001054968002 674182457 /nfs/dbraw/zinc/18/24/57/674182457.db2.gz AHCULEYHOLRONE-JSGCOSHPSA-N 1 0 349.439 -1.334 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001054968003 674182302 /nfs/dbraw/zinc/18/23/02/674182302.db2.gz AHCULEYHOLRONE-OCCSQVGLSA-N 1 0 349.439 -1.334 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001054968004 674182433 /nfs/dbraw/zinc/18/24/33/674182433.db2.gz AHCULEYHOLRONE-TZMCWYRMSA-N 1 0 349.439 -1.334 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001054968277 674182368 /nfs/dbraw/zinc/18/23/68/674182368.db2.gz FMTFOVANCHMJLO-DZGCQCFKSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC001054968278 674182381 /nfs/dbraw/zinc/18/23/81/674182381.db2.gz FMTFOVANCHMJLO-HIFRSBDPSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001054968279 674182324 /nfs/dbraw/zinc/18/23/24/674182324.db2.gz FMTFOVANCHMJLO-UKRRQHHQSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC001054968280 674182300 /nfs/dbraw/zinc/18/23/00/674182300.db2.gz FMTFOVANCHMJLO-ZFWWWQNUSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001054969130 674182835 /nfs/dbraw/zinc/18/28/35/674182835.db2.gz OIUHODMWQIAXNF-GXTWGEPZSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001054969133 674182782 /nfs/dbraw/zinc/18/27/82/674182782.db2.gz OIUHODMWQIAXNF-JSGCOSHPSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001054969135 674182884 /nfs/dbraw/zinc/18/28/84/674182884.db2.gz OIUHODMWQIAXNF-OCCSQVGLSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001054969136 674182795 /nfs/dbraw/zinc/18/27/95/674182795.db2.gz OIUHODMWQIAXNF-TZMCWYRMSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054969175 674182824 /nfs/dbraw/zinc/18/28/24/674182824.db2.gz OWOROTFTEAJOCH-CHWSQXEVSA-N 1 0 337.424 -1.913 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054969176 674182699 /nfs/dbraw/zinc/18/26/99/674182699.db2.gz OWOROTFTEAJOCH-OLZOCXBDSA-N 1 0 337.424 -1.913 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054969177 674182717 /nfs/dbraw/zinc/18/27/17/674182717.db2.gz OWOROTFTEAJOCH-QWHCGFSZSA-N 1 0 337.424 -1.913 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054969178 674182775 /nfs/dbraw/zinc/18/27/75/674182775.db2.gz OWOROTFTEAJOCH-STQMWFEESA-N 1 0 337.424 -1.913 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054969311 674182808 /nfs/dbraw/zinc/18/28/08/674182808.db2.gz PJKVWSQRQBJDGF-GXTWGEPZSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054969313 674182709 /nfs/dbraw/zinc/18/27/09/674182709.db2.gz PJKVWSQRQBJDGF-JSGCOSHPSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054969314 674182917 /nfs/dbraw/zinc/18/29/17/674182917.db2.gz PJKVWSQRQBJDGF-OCCSQVGLSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054969315 674182682 /nfs/dbraw/zinc/18/26/82/674182682.db2.gz PJKVWSQRQBJDGF-TZMCWYRMSA-N 1 0 334.424 -1.212 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054969387 674182804 /nfs/dbraw/zinc/18/28/04/674182804.db2.gz QFWFFEBCECRWKW-KBPBESRZSA-N 1 0 334.424 -1.249 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054969390 674182708 /nfs/dbraw/zinc/18/27/08/674182708.db2.gz QFWFFEBCECRWKW-KGLIPLIRSA-N 1 0 334.424 -1.249 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054969392 674182703 /nfs/dbraw/zinc/18/27/03/674182703.db2.gz QFWFFEBCECRWKW-UONOGXRCSA-N 1 0 334.424 -1.249 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054969394 674182687 /nfs/dbraw/zinc/18/26/87/674182687.db2.gz QFWFFEBCECRWKW-ZIAGYGMSSA-N 1 0 334.424 -1.249 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001054969595 674182907 /nfs/dbraw/zinc/18/29/07/674182907.db2.gz RVLFNQQMGCAUJT-DZGCQCFKSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC001054969596 674182712 /nfs/dbraw/zinc/18/27/12/674182712.db2.gz RVLFNQQMGCAUJT-HIFRSBDPSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001054969597 674182904 /nfs/dbraw/zinc/18/29/04/674182904.db2.gz RVLFNQQMGCAUJT-UKRRQHHQSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC001054969598 674182831 /nfs/dbraw/zinc/18/28/31/674182831.db2.gz RVLFNQQMGCAUJT-ZFWWWQNUSA-N 1 0 348.451 -1.169 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnns1 ZINC001054969635 674182862 /nfs/dbraw/zinc/18/28/62/674182862.db2.gz SSDOGKKYTFHEBW-CMPLNLGQSA-N 1 0 338.437 -1.094 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnns1 ZINC001054969636 674182895 /nfs/dbraw/zinc/18/28/95/674182895.db2.gz SSDOGKKYTFHEBW-JQWIXIFHSA-N 1 0 338.437 -1.094 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnns1 ZINC001054969637 674182814 /nfs/dbraw/zinc/18/28/14/674182814.db2.gz SSDOGKKYTFHEBW-PWSUYJOCSA-N 1 0 338.437 -1.094 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnns1 ZINC001054969638 674182645 /nfs/dbraw/zinc/18/26/45/674182645.db2.gz SSDOGKKYTFHEBW-ZYHUDNBSSA-N 1 0 338.437 -1.094 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054969815 674182891 /nfs/dbraw/zinc/18/28/91/674182891.db2.gz VDEKMEPWPPIGMB-AAEUAGOBSA-N 1 0 335.412 -1.817 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054969816 674182714 /nfs/dbraw/zinc/18/27/14/674182714.db2.gz VDEKMEPWPPIGMB-DGCLKSJQSA-N 1 0 335.412 -1.817 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001054969817 674182726 /nfs/dbraw/zinc/18/27/26/674182726.db2.gz VDEKMEPWPPIGMB-WCQYABFASA-N 1 0 335.412 -1.817 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnnn1C ZINC001054969818 674182692 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C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001055019465 674183561 /nfs/dbraw/zinc/18/35/61/674183561.db2.gz ZITYZSWLFFDVKJ-YPMHNXCESA-N 1 0 349.391 -1.321 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CC1 ZINC001055024868 674183517 /nfs/dbraw/zinc/18/35/17/674183517.db2.gz BUBAFIGAFVYZJJ-CMPLNLGQSA-N 1 0 339.396 -2.401 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CC1 ZINC001055024869 674183500 /nfs/dbraw/zinc/18/35/00/674183500.db2.gz BUBAFIGAFVYZJJ-JQWIXIFHSA-N 1 0 339.396 -2.401 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@H]2C)CC1 ZINC001055024870 674183842 /nfs/dbraw/zinc/18/38/42/674183842.db2.gz BUBAFIGAFVYZJJ-PWSUYJOCSA-N 1 0 339.396 -2.401 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)CC1 ZINC001055024871 674183814 /nfs/dbraw/zinc/18/38/14/674183814.db2.gz BUBAFIGAFVYZJJ-ZYHUDNBSSA-N 1 0 339.396 -2.401 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001055024888 674183856 /nfs/dbraw/zinc/18/38/56/674183856.db2.gz CCQIDROJJZZNLC-GXSJLCMTSA-N 1 0 339.396 -2.368 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001055024889 674183829 /nfs/dbraw/zinc/18/38/29/674183829.db2.gz CCQIDROJJZZNLC-KOLCDFICSA-N 1 0 339.396 -2.368 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001055024890 674183839 /nfs/dbraw/zinc/18/38/39/674183839.db2.gz CCQIDROJJZZNLC-MWLCHTKSSA-N 1 0 339.396 -2.368 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001055024891 674183793 /nfs/dbraw/zinc/18/37/93/674183793.db2.gz CCQIDROJJZZNLC-ONGXEEELSA-N 1 0 339.396 -2.368 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@@H]2C1 ZINC001055132201 674184567 /nfs/dbraw/zinc/18/45/67/674184567.db2.gz DLGQDZNXTULKGN-OKILXGFUSA-N 1 0 340.424 -1.383 20 0 EAADRO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1)[NH+](C)C ZINC001055154746 674185763 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EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C1 ZINC001055157428 674186252 /nfs/dbraw/zinc/18/62/52/674186252.db2.gz AGXXXQWYQWFKND-RVMXOQNASA-N 1 0 337.424 -1.231 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C1 ZINC001055157429 674186255 /nfs/dbraw/zinc/18/62/55/674186255.db2.gz AGXXXQWYQWFKND-WUHRBBMRSA-N 1 0 337.424 -1.231 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001055157720 674186286 /nfs/dbraw/zinc/18/62/86/674186286.db2.gz AZZLWCUFSVBQIU-BETUJISGSA-N 1 0 335.412 -1.070 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1)C1CC1 ZINC001055158153 674186331 /nfs/dbraw/zinc/18/63/31/674186331.db2.gz KNCVLJJGIAIDMR-MBNYWOFBSA-N 1 0 337.424 -1.088 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1)C1CC1 ZINC001055158155 674186270 /nfs/dbraw/zinc/18/62/70/674186270.db2.gz KNCVLJJGIAIDMR-SCRDCRAPSA-N 1 0 337.424 -1.088 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C1 ZINC001055158413 674186554 /nfs/dbraw/zinc/18/65/54/674186554.db2.gz ONTCCKVUXVKBNY-TXEJJXNPSA-N 1 0 325.413 -1.087 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001055158439 674186605 /nfs/dbraw/zinc/18/66/05/674186605.db2.gz MCXLVQWFNIEYPN-FVCCEPFGSA-N 1 0 337.424 -1.088 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@H]3C2)C1 ZINC001055158483 674186571 /nfs/dbraw/zinc/18/65/71/674186571.db2.gz PYAIFBILQLQULV-RWMBFGLXSA-N 1 0 337.424 -1.087 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@H]3C2)C1 ZINC001055158484 674186541 /nfs/dbraw/zinc/18/65/41/674186541.db2.gz PYAIFBILQLQULV-UPJWGTAASA-N 1 0 337.424 -1.087 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001055158570 674186598 /nfs/dbraw/zinc/18/65/98/674186598.db2.gz SPNLTGFDLRMEQY-HZSPNIEDSA-N 1 0 349.435 -1.087 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001055158572 674186567 /nfs/dbraw/zinc/18/65/67/674186567.db2.gz SPNLTGFDLRMEQY-MJBXVCDLSA-N 1 0 349.435 -1.087 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]3C2)CC1 ZINC001055158589 674186565 /nfs/dbraw/zinc/18/65/65/674186565.db2.gz NVMPJKCRACUPOX-BETUJISGSA-N 1 0 347.423 -1.068 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@H]3C2)CC1 ZINC001055158674 674186556 /nfs/dbraw/zinc/18/65/56/674186556.db2.gz UKUJBWZHLLMZRF-TXEJJXNPSA-N 1 0 337.424 -1.087 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C1 ZINC001055158691 674186579 /nfs/dbraw/zinc/18/65/79/674186579.db2.gz VCGIMLDKGIWVSN-TXEJJXNPSA-N 1 0 325.413 -1.087 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001055158801 674186821 /nfs/dbraw/zinc/18/68/21/674186821.db2.gz SEAOWQDPBUPQRG-BETUJISGSA-N 1 0 335.412 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001055158807 674186814 /nfs/dbraw/zinc/18/68/14/674186814.db2.gz SHIWMGIYGULZTA-BETUJISGSA-N 1 0 335.412 -1.068 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001055159063 674186855 /nfs/dbraw/zinc/18/68/55/674186855.db2.gz WOMQMGXUDRAXIE-BETUJISGSA-N 1 0 335.412 -1.068 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001055159474 674186859 /nfs/dbraw/zinc/18/68/59/674186859.db2.gz NPFSQJPBRUEBGA-BETUJISGSA-N 1 0 335.412 -1.068 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@@H]2C1 ZINC001055208526 674187658 /nfs/dbraw/zinc/18/76/58/674187658.db2.gz REBLSYJKJYKTAV-TXEJJXNPSA-N 1 0 331.438 -1.101 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251986 674187978 /nfs/dbraw/zinc/18/79/78/674187978.db2.gz PQJKIHBWNBUYSX-FRRDWIJNSA-N 1 0 337.424 -1.074 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251987 674187970 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NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001055548585 674196818 /nfs/dbraw/zinc/19/68/18/674196818.db2.gz RWZMWMLQUBPODV-UHFFFAOYSA-N 1 0 340.409 -1.276 20 0 EAADRO NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001055548588 674196664 /nfs/dbraw/zinc/19/66/64/674196664.db2.gz SCHSOQNXIYWKQO-UHFFFAOYSA-N 1 0 337.384 -2.150 20 0 EAADRO CC(C)(O)CC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055548609 674196880 /nfs/dbraw/zinc/19/68/80/674196880.db2.gz SZDGXOZRUZRLHC-UHFFFAOYSA-N 1 0 328.413 -1.280 20 0 EAADRO CC(C)[C@@H](O)C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055548628 674196884 /nfs/dbraw/zinc/19/68/84/674196884.db2.gz UGNJWZSATZBGKY-CQSZACIVSA-N 1 0 328.413 -1.425 20 0 EAADRO NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)Cc2cnoc2)CC1 ZINC001055548657 674196898 /nfs/dbraw/zinc/19/68/98/674196898.db2.gz UZKYAMLQLUCAEE-UHFFFAOYSA-N 1 0 337.380 -1.211 20 0 EAADRO Cc1n[nH]cc1C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055548658 674196695 /nfs/dbraw/zinc/19/66/95/674196695.db2.gz 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674199360 /nfs/dbraw/zinc/19/93/60/674199360.db2.gz SKOIJGHHXYPSBI-NSHDSACASA-N 1 0 339.400 -1.595 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC001055580078 674199320 /nfs/dbraw/zinc/19/93/20/674199320.db2.gz SOBIQQZQIJDWKH-UHFFFAOYSA-N 1 0 348.367 -1.328 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001055580094 674199375 /nfs/dbraw/zinc/19/93/75/674199375.db2.gz URDHGPJVKJRJAS-UHFFFAOYSA-N 1 0 347.383 -1.593 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH+]1CCC(NC(=O)C(F)F)CC1 ZINC001055580191 674199212 /nfs/dbraw/zinc/19/92/12/674199212.db2.gz YLQIWXDQEWNSPY-UHFFFAOYSA-N 1 0 331.327 -1.365 20 0 EAADRO COCC[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055580212 674199113 /nfs/dbraw/zinc/19/91/13/674199113.db2.gz YZSUYUGBZYHWST-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO COCC[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055580213 674199328 /nfs/dbraw/zinc/19/93/28/674199328.db2.gz YZSUYUGBZYHWST-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001055580217 674199228 /nfs/dbraw/zinc/19/92/28/674199228.db2.gz ZLBNQRLHRAAERA-UHFFFAOYSA-N 1 0 338.372 -2.755 20 0 EAADRO CSCC(=O)NC1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001055580229 674199298 /nfs/dbraw/zinc/19/92/98/674199298.db2.gz ZWROIQHUKGAMID-UHFFFAOYSA-N 1 0 341.441 -1.267 20 0 EAADRO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)c(C)nn1 ZINC001055580451 674199371 /nfs/dbraw/zinc/19/93/71/674199371.db2.gz JUENWTAOAQPFOQ-UHFFFAOYSA-N 1 0 348.407 -1.111 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)CCc2cn[nH]c2)CC1 ZINC001055580485 674199373 /nfs/dbraw/zinc/19/93/73/674199373.db2.gz LHCSYWAMDPQLSH-UHFFFAOYSA-N 1 0 336.396 -1.476 20 0 EAADRO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)Cn2nccn2)CC1 ZINC001055580646 674199324 /nfs/dbraw/zinc/19/93/24/674199324.db2.gz NXPVMUGTJYCYTH-UHFFFAOYSA-N 1 0 337.384 -2.150 20 0 EAADRO O=C(Cn1nccn1)NCC[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001055580784 674199154 /nfs/dbraw/zinc/19/91/54/674199154.db2.gz 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ZINC001055583380 674199147 /nfs/dbraw/zinc/19/91/47/674199147.db2.gz LMAGFPABNSOFMQ-UHFFFAOYSA-N 1 0 348.407 -1.375 20 0 EAADRO CC(=O)NC1CC[NH+](CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001055583609 674199136 /nfs/dbraw/zinc/19/91/36/674199136.db2.gz VAZZEBTVJXGCNB-UHFFFAOYSA-N 1 0 337.384 -1.906 20 0 EAADRO CC(=O)NC1CC[NH+](CCNC(=O)CCS(=O)(=O)N(C)C)CC1 ZINC001055584666 674199356 /nfs/dbraw/zinc/19/93/56/674199356.db2.gz MTYMJNSXHMSSKI-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO COCCC1(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC1 ZINC001055585869 674199349 /nfs/dbraw/zinc/19/93/49/674199349.db2.gz ITUJXGMPDLOZRN-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)C[C@@H]2CCNC2=O)CC1 ZINC001055586142 674199304 /nfs/dbraw/zinc/19/93/04/674199304.db2.gz NJBHMSIHRCMNQQ-JTQLQIEISA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)C[C@H]2CCNC2=O)CC1 ZINC001055586144 674199260 /nfs/dbraw/zinc/19/92/60/674199260.db2.gz NJBHMSIHRCMNQQ-SNVBAGLBSA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)CCc2ccncn2)CC1 ZINC001055586431 674199270 /nfs/dbraw/zinc/19/92/70/674199270.db2.gz VVSAJASAFDGPLL-UHFFFAOYSA-N 1 0 348.407 -1.409 20 0 EAADRO COCC(=O)NC1CC[NH+](CCNC(=O)C[C@H]2CCNC2=O)CC1 ZINC001055586439 674199265 /nfs/dbraw/zinc/19/92/65/674199265.db2.gz WEDQFNFWWHTOPK-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO COCC(=O)NC1CC[NH+](CCNC(=O)C[C@@H]2CCNC2=O)CC1 ZINC001055586441 674199340 /nfs/dbraw/zinc/19/93/40/674199340.db2.gz WEDQFNFWWHTOPK-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055586928 674199367 /nfs/dbraw/zinc/19/93/67/674199367.db2.gz JPKRREBRIJWSPE-ZBEGNZNMSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)c2cc[nH]c2)CC1 ZINC001055588175 674199255 /nfs/dbraw/zinc/19/92/55/674199255.db2.gz LKIBNEPIXVEPDI-UHFFFAOYSA-N 1 0 336.396 -1.007 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)CSC)CC1 ZINC001055589208 674199122 /nfs/dbraw/zinc/19/91/22/674199122.db2.gz CJCJILMPOPGUJG-UHFFFAOYSA-N 1 0 345.469 -1.025 20 0 EAADRO CC(=O)NC1CC[NH+](CCNC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001055589222 674199364 /nfs/dbraw/zinc/19/93/64/674199364.db2.gz CNUSQDXXWBMJRY-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CCC(=O)NC1CC[NH+](CCNC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001055589418 674199240 /nfs/dbraw/zinc/19/92/40/674199240.db2.gz HWACFGFMWYUCSG-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055589439 674199385 /nfs/dbraw/zinc/19/93/85/674199385.db2.gz IMDSIROKGGDXMQ-UHFFFAOYSA-N 1 0 328.373 -2.903 20 0 EAADRO CCOCC(=O)NC1CC[NH+](CCNC(=O)CNC(=O)NC)CC1 ZINC001055589462 674199216 /nfs/dbraw/zinc/19/92/16/674199216.db2.gz IPTJDIWPDWWBKR-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001055589559 674199387 /nfs/dbraw/zinc/19/93/87/674199387.db2.gz JLITYRHEHAMXEK-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO COCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC001055589560 674199209 /nfs/dbraw/zinc/19/92/09/674199209.db2.gz JLITYRHEHAMXEK-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)CCOC)CC1 ZINC001055589645 674199178 /nfs/dbraw/zinc/19/91/78/674199178.db2.gz LYCJWZIHTUNYFU-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055589709 674199276 /nfs/dbraw/zinc/19/92/76/674199276.db2.gz MYFUQNGGTSXULZ-UHFFFAOYSA-N 1 0 342.400 -2.512 20 0 EAADRO CC(=O)NC1CC[NH+](CCNC(=O)CCNS(C)(=O)=O)CC1 ZINC001055589757 674199287 /nfs/dbraw/zinc/19/92/87/674199287.db2.gz PENWVKWGYHSEOR-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH+]1CCC(NC(C)=O)CC1 ZINC001055589781 674199171 /nfs/dbraw/zinc/19/91/71/674199171.db2.gz QGDHDBQAXAQAQG-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC1=O ZINC001055589783 674199223 /nfs/dbraw/zinc/19/92/23/674199223.db2.gz QLIALXYFNOGATJ-JTQLQIEISA-N 1 0 339.396 -2.353 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC1=O ZINC001055589784 674199313 /nfs/dbraw/zinc/19/93/13/674199313.db2.gz QLIALXYFNOGATJ-SNVBAGLBSA-N 1 0 339.396 -2.353 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH+]1CCC(NC(C)=O)CC1 ZINC001055589919 674199162 /nfs/dbraw/zinc/19/91/62/674199162.db2.gz URNJFQITMAGOSQ-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCC(NC(C)=O)CC1 ZINC001055589920 674199219 /nfs/dbraw/zinc/19/92/19/674199219.db2.gz URNJFQITMAGOSQ-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO COCC(=O)N(C)CC(=O)NCC[NH+]1CCC(NC(C)=O)CC1 ZINC001055589934 674199232 /nfs/dbraw/zinc/19/92/32/674199232.db2.gz VIXUJVKULWMTFB-UHFFFAOYSA-N 1 0 328.413 -1.192 20 0 EAADRO COCC(=O)NCCC(=O)NCC[NH+]1CCC(NC(C)=O)CC1 ZINC001055589949 674199599 /nfs/dbraw/zinc/19/95/99/674199599.db2.gz WECCRMKIRDPIEZ-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055589985 674199565 /nfs/dbraw/zinc/19/95/65/674199565.db2.gz XJOAOLGJVLLINR-JTQLQIEISA-N 1 0 341.412 -1.917 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055589986 674199756 /nfs/dbraw/zinc/19/97/56/674199756.db2.gz XJOAOLGJVLLINR-SNVBAGLBSA-N 1 0 341.412 -1.917 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)COC)CC1 ZINC001055590016 674199558 /nfs/dbraw/zinc/19/95/58/674199558.db2.gz YKHBLVNVWURVDQ-UHFFFAOYSA-N 1 0 329.401 -1.741 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)C(F)F)CC1 ZINC001055590035 674199543 /nfs/dbraw/zinc/19/95/43/674199543.db2.gz ZHKIQVZZKXDRTD-UHFFFAOYSA-N 1 0 335.355 -1.123 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)OC)CC1 ZINC001055590041 674199768 /nfs/dbraw/zinc/19/97/68/674199768.db2.gz ZXGQTMYYQJQIAW-LLVKDONJSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)OC)CC1 ZINC001055590042 674199781 /nfs/dbraw/zinc/19/97/81/674199781.db2.gz ZXGQTMYYQJQIAW-NSHDSACASA-N 1 0 343.428 -1.353 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN2CCC(NC(=O)C(N)=O)CC2)CCC1 ZINC001055590122 674199643 /nfs/dbraw/zinc/19/96/43/674199643.db2.gz DGRCUIYJYNVLAM-UHFFFAOYSA-N 1 0 339.440 -1.347 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]c(=O)c2)CC1 ZINC001055590123 674199586 /nfs/dbraw/zinc/19/95/86/674199586.db2.gz DGRSJRSMQISJPD-UHFFFAOYSA-N 1 0 336.352 -2.022 20 0 EAADRO CCOCCOCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055590150 674199716 /nfs/dbraw/zinc/19/97/16/674199716.db2.gz FMAJRMOFFUVWPQ-UHFFFAOYSA-N 1 0 344.412 -1.778 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCCNC2=O)CC1 ZINC001055590185 674199739 /nfs/dbraw/zinc/19/97/39/674199739.db2.gz HOFCLOLOTDTIRO-LLVKDONJSA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCCNC2=O)CC1 ZINC001055590186 674199734 /nfs/dbraw/zinc/19/97/34/674199734.db2.gz HOFCLOLOTDTIRO-NSHDSACASA-N 1 0 339.396 -2.305 20 0 EAADRO COCC(=O)NC1CC[NH+](CCNC(=O)C(C)(C)C(N)=O)CC1 ZINC001055590198 674199698 /nfs/dbraw/zinc/19/96/98/674199698.db2.gz IKBFBHRIHSDFND-UHFFFAOYSA-N 1 0 328.413 -1.159 20 0 EAADRO 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COCCC(=O)NC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001055629675 674205563 /nfs/dbraw/zinc/20/55/63/674205563.db2.gz HESKEBJWAAMYPM-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO CCOCC(=O)NC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001055629771 674205478 /nfs/dbraw/zinc/20/54/78/674205478.db2.gz JOPVGRYEFRMDRC-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 ZINC001055629831 674205436 /nfs/dbraw/zinc/20/54/36/674205436.db2.gz LNCBUENANGJFGO-UHFFFAOYSA-N 1 0 327.429 -1.491 20 0 EAADRO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001055629888 674205501 /nfs/dbraw/zinc/20/55/01/674205501.db2.gz NCJJRXNMNRAMOQ-UHFFFAOYSA-N 1 0 339.396 -2.176 20 0 EAADRO C[N@H+](CC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1)C1CCC1 ZINC001055629932 674205628 /nfs/dbraw/zinc/20/56/28/674205628.db2.gz OIQPEPGCHUNZRU-UHFFFAOYSA-N 1 0 339.440 -1.347 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH+]2CCC(NC(=O)c3ncc[nH]3)CC2)CC1 ZINC001055630054 674205742 /nfs/dbraw/zinc/20/57/42/674205742.db2.gz RGPVVWISLDSSCB-UHFFFAOYSA-N 1 0 348.407 -1.014 20 0 EAADRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001055630085 674206004 /nfs/dbraw/zinc/20/60/04/674206004.db2.gz RZVIKDNEJASTQR-UHFFFAOYSA-N 1 0 325.369 -2.566 20 0 EAADRO COCC(=O)NC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001055630101 674205918 /nfs/dbraw/zinc/20/59/18/674205918.db2.gz SKDRMINVICTNTP-UHFFFAOYSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)CC1 ZINC001055630186 674205733 /nfs/dbraw/zinc/20/57/33/674205733.db2.gz WBEYWXZUXZPTGP-UHFFFAOYSA-N 1 0 348.407 -1.014 20 0 EAADRO CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001055630196 674205957 /nfs/dbraw/zinc/20/59/57/674205957.db2.gz WJIRPFCFGGJCBH-LLVKDONJSA-N 1 0 340.424 -1.016 20 0 EAADRO CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001055630197 674206059 /nfs/dbraw/zinc/20/60/59/674206059.db2.gz WJIRPFCFGGJCBH-NSHDSACASA-N 1 0 340.424 -1.016 20 0 EAADRO COC[C@H](C)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055631544 674205787 /nfs/dbraw/zinc/20/57/87/674205787.db2.gz HYTAWEADRPCGML-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO COC[C@@H](C)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055631545 674205769 /nfs/dbraw/zinc/20/57/69/674205769.db2.gz HYTAWEADRPCGML-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO CCn1cc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)nn1 ZINC001055632675 674206232 /nfs/dbraw/zinc/20/62/32/674206232.db2.gz YJGMHJCPTIBGLY-UHFFFAOYSA-N 1 0 337.384 -1.906 20 0 EAADRO Cn1cc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)[nH]c1=O ZINC001055633302 674206171 /nfs/dbraw/zinc/20/61/71/674206171.db2.gz JDWPRZLUGFHIFI-UHFFFAOYSA-N 1 0 338.368 -2.079 20 0 EAADRO CO[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)C(C)C ZINC001055633573 674206339 /nfs/dbraw/zinc/20/63/39/674206339.db2.gz TWVBJWYRIYSTOG-GFCCVEGCSA-N 1 0 328.413 -1.161 20 0 EAADRO CO[C@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)C(C)C ZINC001055633574 674206276 /nfs/dbraw/zinc/20/62/76/674206276.db2.gz TWVBJWYRIYSTOG-LBPRGKRZSA-N 1 0 328.413 -1.161 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Cc1ccc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)c(=O)[nH]1 ZINC001055656643 674207139 /nfs/dbraw/zinc/20/71/39/674207139.db2.gz XSTXRGLGIVEWPR-UHFFFAOYSA-N 1 0 349.391 -1.109 20 0 EAADRO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)Cc2c[nH]cn2)CC1 ZINC001055667727 674207548 /nfs/dbraw/zinc/20/75/48/674207548.db2.gz ZTKYIJQCJAJTMB-UHFFFAOYSA-N 1 0 336.396 -1.476 20 0 EAADRO COCC(=O)N[C@@]1(CO)CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001055703928 674208992 /nfs/dbraw/zinc/20/89/92/674208992.db2.gz KXEFYUKBSGJSHI-HNNXBMFYSA-N 1 0 331.413 -1.319 20 0 EAADRO COCC(=O)N[C@]1(CO)CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001055703930 674209056 /nfs/dbraw/zinc/20/90/56/674209056.db2.gz KXEFYUKBSGJSHI-OAHLLOKOSA-N 1 0 331.413 -1.319 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CNC(C)=O)C1)[NH+](C)C ZINC001055717266 674210539 /nfs/dbraw/zinc/21/05/39/674210539.db2.gz BVHFAVMGMWSWCE-BBRMVZONSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CNC(C)=O)C1)[NH+](C)C ZINC001055717267 674210556 /nfs/dbraw/zinc/21/05/56/674210556.db2.gz BVHFAVMGMWSWCE-CJNGLKHVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1)[NH+](C)C ZINC001055717268 674210516 /nfs/dbraw/zinc/21/05/16/674210516.db2.gz BVHFAVMGMWSWCE-CZUORRHYSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1)[NH+](C)C ZINC001055717269 674210525 /nfs/dbraw/zinc/21/05/25/674210525.db2.gz BVHFAVMGMWSWCE-XJKSGUPXSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001055717973 674210386 /nfs/dbraw/zinc/21/03/86/674210386.db2.gz GLSCSNIJNQSPQK-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001055717974 674210536 /nfs/dbraw/zinc/21/05/36/674210536.db2.gz GLSCSNIJNQSPQK-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055718094 674210814 /nfs/dbraw/zinc/21/08/14/674210814.db2.gz IDHOTKNLXYROLT-BBRMVZONSA-N 1 0 340.424 -1.314 20 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/nfs/dbraw/zinc/21/09/86/674210986.db2.gz SLJMJYDXPQADOI-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001055718896 674211066 /nfs/dbraw/zinc/21/10/66/674211066.db2.gz SLJMJYDXPQADOI-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001055718979 674211001 /nfs/dbraw/zinc/21/10/01/674211001.db2.gz UYTYNQLHFLUTKT-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001055718980 674211081 /nfs/dbraw/zinc/21/10/81/674211081.db2.gz UYTYNQLHFLUTKT-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001055718997 674211009 /nfs/dbraw/zinc/21/10/09/674211009.db2.gz VERMMRHCLYPKCB-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001055718998 674211111 /nfs/dbraw/zinc/21/11/11/674211111.db2.gz VERMMRHCLYPKCB-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001055720664 674211470 /nfs/dbraw/zinc/21/14/70/674211470.db2.gz LWAYTWGXQLMLOH-INIZCTEOSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001055720665 674211341 /nfs/dbraw/zinc/21/13/41/674211341.db2.gz LWAYTWGXQLMLOH-MRXNPFEDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055721399 674211394 /nfs/dbraw/zinc/21/13/94/674211394.db2.gz QRCNNTRHCQRKMT-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO CC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055721401 674211405 /nfs/dbraw/zinc/21/14/05/674211405.db2.gz QRCNNTRHCQRKMT-MRXNPFEDSA-N 1 0 340.424 -1.312 20 0 EAADRO CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055722554 674211448 /nfs/dbraw/zinc/21/14/48/674211448.db2.gz ZWMFGAZSWZECLC-BBRMVZONSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055722555 674211388 /nfs/dbraw/zinc/21/13/88/674211388.db2.gz ZWMFGAZSWZECLC-CJNGLKHVSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055722556 674211330 /nfs/dbraw/zinc/21/13/30/674211330.db2.gz ZWMFGAZSWZECLC-CZUORRHYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055722557 674211423 /nfs/dbraw/zinc/21/14/23/674211423.db2.gz ZWMFGAZSWZECLC-XJKSGUPXSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055738722 674212544 /nfs/dbraw/zinc/21/25/44/674212544.db2.gz IWOVCGHNBIEOHG-BLLLJJGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055738723 674212566 /nfs/dbraw/zinc/21/25/66/674212566.db2.gz IWOVCGHNBIEOHG-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055738724 674212540 /nfs/dbraw/zinc/21/25/40/674212540.db2.gz IWOVCGHNBIEOHG-MLGOLLRUSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055738725 674212527 /nfs/dbraw/zinc/21/25/27/674212527.db2.gz IWOVCGHNBIEOHG-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055745500 674213359 /nfs/dbraw/zinc/21/33/59/674213359.db2.gz PSYPKYYIXQZZHF-ABAIWWIYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055745501 674213276 /nfs/dbraw/zinc/21/32/76/674213276.db2.gz PSYPKYYIXQZZHF-IAQYHMDHSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055745502 674213480 /nfs/dbraw/zinc/21/34/80/674213480.db2.gz PSYPKYYIXQZZHF-NHYWBVRUSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055745503 674213458 /nfs/dbraw/zinc/21/34/58/674213458.db2.gz PSYPKYYIXQZZHF-XHDPSFHLSA-N 1 0 341.412 -1.781 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748021 674213671 /nfs/dbraw/zinc/21/36/71/674213671.db2.gz AOIFBQPFIVTUFA-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748022 674213783 /nfs/dbraw/zinc/21/37/83/674213783.db2.gz AOIFBQPFIVTUFA-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748077 674213634 /nfs/dbraw/zinc/21/36/34/674213634.db2.gz CEQQZYCYVHRMIH-AWEZNQCLSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748078 674213739 /nfs/dbraw/zinc/21/37/39/674213739.db2.gz CEQQZYCYVHRMIH-CQSZACIVSA-N 1 0 329.401 -1.924 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748135 674213586 /nfs/dbraw/zinc/21/35/86/674213586.db2.gz DMWZLPKBJCUFAC-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748136 674213549 /nfs/dbraw/zinc/21/35/49/674213549.db2.gz DMWZLPKBJCUFAC-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748373 674214025 /nfs/dbraw/zinc/21/40/25/674214025.db2.gz IIJYGJVOMKRIAT-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748374 674214085 /nfs/dbraw/zinc/21/40/85/674214085.db2.gz IIJYGJVOMKRIAT-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748549 674213858 /nfs/dbraw/zinc/21/38/58/674213858.db2.gz KGSIGUHVDXRNCH-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055748551 674213995 /nfs/dbraw/zinc/21/39/95/674213995.db2.gz KGSIGUHVDXRNCH-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1)[NH+](C)C ZINC001055748644 674213918 /nfs/dbraw/zinc/21/39/18/674213918.db2.gz LNYVMBQJBMGQCW-ABAIWWIYSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1)[NH+](C)C ZINC001055748645 674213894 /nfs/dbraw/zinc/21/38/94/674213894.db2.gz LNYVMBQJBMGQCW-IAQYHMDHSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1)[NH+](C)C ZINC001055748646 674213879 /nfs/dbraw/zinc/21/38/79/674213879.db2.gz LNYVMBQJBMGQCW-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1)[NH+](C)C ZINC001055748647 674213970 /nfs/dbraw/zinc/21/39/70/674213970.db2.gz LNYVMBQJBMGQCW-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001055749592 674214288 /nfs/dbraw/zinc/21/42/88/674214288.db2.gz AMJNILOQZYOZLP-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001055749593 674214343 /nfs/dbraw/zinc/21/43/43/674214343.db2.gz AMJNILOQZYOZLP-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO NC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055752401 674215733 /nfs/dbraw/zinc/21/57/33/674215733.db2.gz RFUGGRWDCGXVGG-HNNXBMFYSA-N 1 0 341.412 -1.780 20 0 EAADRO NC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055752402 674215696 /nfs/dbraw/zinc/21/56/96/674215696.db2.gz RFUGGRWDCGXVGG-OAHLLOKOSA-N 1 0 341.412 -1.780 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055752696 674215927 /nfs/dbraw/zinc/21/59/27/674215927.db2.gz WTNPGFDZYIAZJQ-HNNXBMFYSA-N 1 0 343.428 -1.535 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 ZINC001055752697 674216015 /nfs/dbraw/zinc/21/60/15/674216015.db2.gz WTNPGFDZYIAZJQ-OAHLLOKOSA-N 1 0 343.428 -1.535 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)CNC(N)=O)C2)C1 ZINC001055752736 674215946 /nfs/dbraw/zinc/21/59/46/674215946.db2.gz XLYFHDRMFFRRLG-ABAIWWIYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)CNC(N)=O)C2)C1 ZINC001055752737 674216000 /nfs/dbraw/zinc/21/60/00/674216000.db2.gz XLYFHDRMFFRRLG-IAQYHMDHSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC(=O)CNC(N)=O)C2)C1 ZINC001055752738 674216054 /nfs/dbraw/zinc/21/60/54/674216054.db2.gz XLYFHDRMFFRRLG-NHYWBVRUSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)CNC(N)=O)C2)C1 ZINC001055752739 674215934 /nfs/dbraw/zinc/21/59/34/674215934.db2.gz XLYFHDRMFFRRLG-XHDPSFHLSA-N 1 0 341.412 -1.924 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055783749 674217196 /nfs/dbraw/zinc/21/71/96/674217196.db2.gz LOHRNGXBCPLXFB-INIZCTEOSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055783750 674217163 /nfs/dbraw/zinc/21/71/63/674217163.db2.gz LOHRNGXBCPLXFB-MRXNPFEDSA-N 1 0 342.440 -1.114 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001055787399 674217452 /nfs/dbraw/zinc/21/74/52/674217452.db2.gz HJOFLCHGOUMGNV-BBRMVZONSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2COCCO2)C1 ZINC001055787400 674217430 /nfs/dbraw/zinc/21/74/30/674217430.db2.gz HJOFLCHGOUMGNV-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2COCCO2)C1 ZINC001055787401 674217328 /nfs/dbraw/zinc/21/73/28/674217328.db2.gz HJOFLCHGOUMGNV-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001055787402 674217345 /nfs/dbraw/zinc/21/73/45/674217345.db2.gz HJOFLCHGOUMGNV-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO COC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055801692 674219053 /nfs/dbraw/zinc/21/90/53/674219053.db2.gz QMYFSHHWNXUWBB-HNNXBMFYSA-N 1 0 344.412 -1.236 20 0 EAADRO COC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055801693 674219002 /nfs/dbraw/zinc/21/90/02/674219002.db2.gz QMYFSHHWNXUWBB-OAHLLOKOSA-N 1 0 344.412 -1.236 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)CS(C)(=O)=O)C1 ZINC001055809318 674219812 /nfs/dbraw/zinc/21/98/12/674219812.db2.gz SKDTTWURKQITHY-AWEZNQCLSA-N 1 0 349.453 -1.548 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CS(C)(=O)=O)C1 ZINC001055809319 674219893 /nfs/dbraw/zinc/21/98/93/674219893.db2.gz SKDTTWURKQITHY-CQSZACIVSA-N 1 0 349.453 -1.548 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055835530 674222450 /nfs/dbraw/zinc/22/24/50/674222450.db2.gz AGFJWANSVCOGPR-BBRMVZONSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055835531 674222423 /nfs/dbraw/zinc/22/24/23/674222423.db2.gz AGFJWANSVCOGPR-CJNGLKHVSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055835532 674222587 /nfs/dbraw/zinc/22/25/87/674222587.db2.gz AGFJWANSVCOGPR-CZUORRHYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055835533 674222477 /nfs/dbraw/zinc/22/24/77/674222477.db2.gz AGFJWANSVCOGPR-XJKSGUPXSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001055836327 674222592 /nfs/dbraw/zinc/22/25/92/674222592.db2.gz VVKMLEBUPJNNHB-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001055836328 674222391 /nfs/dbraw/zinc/22/23/91/674222391.db2.gz VVKMLEBUPJNNHB-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001055836882 674222811 /nfs/dbraw/zinc/22/28/11/674222811.db2.gz HAYWLNFIGGCJSN-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001055836883 674222895 /nfs/dbraw/zinc/22/28/95/674222895.db2.gz HAYWLNFIGGCJSN-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001055836884 674222802 /nfs/dbraw/zinc/22/28/02/674222802.db2.gz HAYWLNFIGGCJSN-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001055836885 674222756 /nfs/dbraw/zinc/22/27/56/674222756.db2.gz HAYWLNFIGGCJSN-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055837479 674222766 /nfs/dbraw/zinc/22/27/66/674222766.db2.gz MOYSHQUQRGBXNU-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055837480 674222733 /nfs/dbraw/zinc/22/27/33/674222733.db2.gz MOYSHQUQRGBXNU-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055837481 674222865 /nfs/dbraw/zinc/22/28/65/674222865.db2.gz MOYSHQUQRGBXNU-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055837482 674222956 /nfs/dbraw/zinc/22/29/56/674222956.db2.gz MOYSHQUQRGBXNU-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055837531 674222904 /nfs/dbraw/zinc/22/29/04/674222904.db2.gz NHUNVMGYLVAWAB-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055837532 674222783 /nfs/dbraw/zinc/22/27/83/674222783.db2.gz NHUNVMGYLVAWAB-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001055838089 674222852 /nfs/dbraw/zinc/22/28/52/674222852.db2.gz QTRYIGBNKXUKPU-ABAIWWIYSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001055838091 674222702 /nfs/dbraw/zinc/22/27/02/674222702.db2.gz QTRYIGBNKXUKPU-IAQYHMDHSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001055838093 674222723 /nfs/dbraw/zinc/22/27/23/674222723.db2.gz QTRYIGBNKXUKPU-NHYWBVRUSA-N 1 0 341.412 -1.781 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001055838094 674222886 /nfs/dbraw/zinc/22/28/86/674222886.db2.gz QTRYIGBNKXUKPU-XHDPSFHLSA-N 1 0 341.412 -1.781 20 0 EAADRO CC(C)[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055844991 674223199 /nfs/dbraw/zinc/22/31/99/674223199.db2.gz BCUKKWPVIFKSHR-GOEBONIOSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055844992 674223079 /nfs/dbraw/zinc/22/30/79/674223079.db2.gz BCUKKWPVIFKSHR-HOCLYGCPSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055844995 674223268 /nfs/dbraw/zinc/22/32/68/674223268.db2.gz BGZYGAQCYWHFPL-NHYWBVRUSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055844996 674223334 /nfs/dbraw/zinc/22/33/34/674223334.db2.gz BGZYGAQCYWHFPL-XHDPSFHLSA-N 1 0 328.413 -1.328 20 0 EAADRO NC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055845207 674223478 /nfs/dbraw/zinc/22/34/78/674223478.db2.gz DEIQAZISHCWJSG-HNNXBMFYSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055845208 674223591 /nfs/dbraw/zinc/22/35/91/674223591.db2.gz DEIQAZISHCWJSG-OAHLLOKOSA-N 1 0 326.397 -1.573 20 0 EAADRO C[NH+](C)C1(C(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)CCC1 ZINC001055845409 674223847 /nfs/dbraw/zinc/22/38/47/674223847.db2.gz FYNMLQDPHYOSJZ-HNNXBMFYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)C1(C(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)CCC1 ZINC001055845410 674223710 /nfs/dbraw/zinc/22/37/10/674223710.db2.gz FYNMLQDPHYOSJZ-OAHLLOKOSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055845599 674223716 /nfs/dbraw/zinc/22/37/16/674223716.db2.gz HXSSYNJAOHNRRW-BLLLJJGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055845600 674223724 /nfs/dbraw/zinc/22/37/24/674223724.db2.gz HXSSYNJAOHNRRW-LRDDRELGSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055845601 674223705 /nfs/dbraw/zinc/22/37/05/674223705.db2.gz HXSSYNJAOHNRRW-MLGOLLRUSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055845602 674223740 /nfs/dbraw/zinc/22/37/40/674223740.db2.gz HXSSYNJAOHNRRW-WBMJQRKESA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055845840 674224128 /nfs/dbraw/zinc/22/41/28/674224128.db2.gz JWLXFSMNPZFOMX-ABAIWWIYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055845841 674224025 /nfs/dbraw/zinc/22/40/25/674224025.db2.gz JWLXFSMNPZFOMX-IAQYHMDHSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055845842 674224015 /nfs/dbraw/zinc/22/40/15/674224015.db2.gz JWLXFSMNPZFOMX-NHYWBVRUSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055845843 674224173 /nfs/dbraw/zinc/22/41/73/674224173.db2.gz JWLXFSMNPZFOMX-XHDPSFHLSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1)C1CC1 ZINC001055845882 674224042 /nfs/dbraw/zinc/22/40/42/674224042.db2.gz KSAXBXIVRBLDEZ-GDBMZVCRSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1)C1CC1 ZINC001055845883 674224021 /nfs/dbraw/zinc/22/40/21/674224021.db2.gz KSAXBXIVRBLDEZ-GOEBONIOSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1)C1CC1 ZINC001055845884 674224154 /nfs/dbraw/zinc/22/41/54/674224154.db2.gz KSAXBXIVRBLDEZ-HOCLYGCPSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1)C1CC1 ZINC001055845885 674224091 /nfs/dbraw/zinc/22/40/91/674224091.db2.gz KSAXBXIVRBLDEZ-ZBFHGGJFSA-N 1 0 340.424 -1.328 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055846176 674224455 /nfs/dbraw/zinc/22/44/55/674224455.db2.gz RBXGEDXLDNJMOE-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055846177 674224346 /nfs/dbraw/zinc/22/43/46/674224346.db2.gz RBXGEDXLDNJMOE-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055846178 674224288 /nfs/dbraw/zinc/22/42/88/674224288.db2.gz RBXGEDXLDNJMOE-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055846179 674224282 /nfs/dbraw/zinc/22/42/82/674224282.db2.gz RBXGEDXLDNJMOE-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055846350 674224754 /nfs/dbraw/zinc/22/47/54/674224754.db2.gz VFIHHTDVIIGJEY-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055846351 674224592 /nfs/dbraw/zinc/22/45/92/674224592.db2.gz VFIHHTDVIIGJEY-LRDDRELGSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055846352 674224687 /nfs/dbraw/zinc/22/46/87/674224687.db2.gz VFIHHTDVIIGJEY-MLGOLLRUSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055846353 674224711 /nfs/dbraw/zinc/22/47/11/674224711.db2.gz VFIHHTDVIIGJEY-WBMJQRKESA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@H+](CC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1)C1CCC1 ZINC001055848104 674224925 /nfs/dbraw/zinc/22/49/25/674224925.db2.gz BBNNOFRKVMDTDW-INIZCTEOSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@H+](CC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1)C1CCC1 ZINC001055848105 674225029 /nfs/dbraw/zinc/22/50/29/674225029.db2.gz BBNNOFRKVMDTDW-MRXNPFEDSA-N 1 0 340.424 -1.184 20 0 EAADRO NC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001055848106 674224982 /nfs/dbraw/zinc/22/49/82/674224982.db2.gz BBZHHEQHSLXYSN-INIZCTEOSA-N 1 0 338.408 -1.573 20 0 EAADRO NC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001055848107 674225026 /nfs/dbraw/zinc/22/50/26/674225026.db2.gz BBZHHEQHSLXYSN-MRXNPFEDSA-N 1 0 338.408 -1.573 20 0 EAADRO CC(C)[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055848108 674225052 /nfs/dbraw/zinc/22/50/52/674225052.db2.gz BCUKKWPVIFKSHR-GDBMZVCRSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055848109 674224949 /nfs/dbraw/zinc/22/49/49/674224949.db2.gz BCUKKWPVIFKSHR-ZBFHGGJFSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055848116 674224896 /nfs/dbraw/zinc/22/48/96/674224896.db2.gz BGZYGAQCYWHFPL-ABAIWWIYSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001055848117 674224968 /nfs/dbraw/zinc/22/49/68/674224968.db2.gz BGZYGAQCYWHFPL-IAQYHMDHSA-N 1 0 328.413 -1.328 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848218 674225235 /nfs/dbraw/zinc/22/52/35/674225235.db2.gz CLWCJSQVPGVPGL-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848219 674225210 /nfs/dbraw/zinc/22/52/10/674225210.db2.gz CLWCJSQVPGVPGL-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848240 674225333 /nfs/dbraw/zinc/22/53/33/674225333.db2.gz DEWQXTIEQWNLQU-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848241 674225357 /nfs/dbraw/zinc/22/53/57/674225357.db2.gz DEWQXTIEQWNLQU-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001055848330 674225301 /nfs/dbraw/zinc/22/53/01/674225301.db2.gz FXJZGOJNVIGWDY-HSMVNMDESA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001055848331 674225286 /nfs/dbraw/zinc/22/52/86/674225286.db2.gz FXJZGOJNVIGWDY-XHBSWPGZSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848416 674225194 /nfs/dbraw/zinc/22/51/94/674225194.db2.gz HPIFMMIGTZXNMJ-HNNXBMFYSA-N 1 0 328.413 -1.328 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848417 674225231 /nfs/dbraw/zinc/22/52/31/674225231.db2.gz HPIFMMIGTZXNMJ-OAHLLOKOSA-N 1 0 328.413 -1.328 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848518 674225251 /nfs/dbraw/zinc/22/52/51/674225251.db2.gz JTJYEUSMIOVZLE-BLLLJJGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848519 674225361 /nfs/dbraw/zinc/22/53/61/674225361.db2.gz JTJYEUSMIOVZLE-LRDDRELGSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848520 674225615 /nfs/dbraw/zinc/22/56/15/674225615.db2.gz JTJYEUSMIOVZLE-MLGOLLRUSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848521 674225512 /nfs/dbraw/zinc/22/55/12/674225512.db2.gz JTJYEUSMIOVZLE-WBMJQRKESA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848748 674225473 /nfs/dbraw/zinc/22/54/73/674225473.db2.gz NHNDZPYNMVPPSW-HNNXBMFYSA-N 1 0 344.412 -2.090 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055848751 674225469 /nfs/dbraw/zinc/22/54/69/674225469.db2.gz NHNDZPYNMVPPSW-OAHLLOKOSA-N 1 0 344.412 -2.090 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055848987 674225600 /nfs/dbraw/zinc/22/56/00/674225600.db2.gz PQGCDWGAISHQOU-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055848989 674225541 /nfs/dbraw/zinc/22/55/41/674225541.db2.gz PQGCDWGAISHQOU-LRDDRELGSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055848991 674225497 /nfs/dbraw/zinc/22/54/97/674225497.db2.gz PQGCDWGAISHQOU-MLGOLLRUSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)C1 ZINC001055848993 674225554 /nfs/dbraw/zinc/22/55/54/674225554.db2.gz PQGCDWGAISHQOU-WBMJQRKESA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)CC1 ZINC001055848999 674225482 /nfs/dbraw/zinc/22/54/82/674225482.db2.gz PTJXPWCMSMDSQC-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)CC1 ZINC001055849001 674225914 /nfs/dbraw/zinc/22/59/14/674225914.db2.gz PTJXPWCMSMDSQC-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055849096 674225846 /nfs/dbraw/zinc/22/58/46/674225846.db2.gz QQGULNOSJWUZDU-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055849097 674225741 /nfs/dbraw/zinc/22/57/41/674225741.db2.gz QQGULNOSJWUZDU-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)CC1 ZINC001055849326 674225803 /nfs/dbraw/zinc/22/58/03/674225803.db2.gz UHUSAWFITBEELX-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)CC1 ZINC001055849327 674225766 /nfs/dbraw/zinc/22/57/66/674225766.db2.gz UHUSAWFITBEELX-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001055849350 674225763 /nfs/dbraw/zinc/22/57/63/674225763.db2.gz URBMCIIOVYBZMO-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001055849352 674225732 /nfs/dbraw/zinc/22/57/32/674225732.db2.gz URBMCIIOVYBZMO-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055896306 674227749 /nfs/dbraw/zinc/22/77/49/674227749.db2.gz FNHIKJFTQRNFFS-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055896307 674227801 /nfs/dbraw/zinc/22/78/01/674227801.db2.gz FNHIKJFTQRNFFS-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001055901164 674228646 /nfs/dbraw/zinc/22/86/46/674228646.db2.gz ANRQFIAMRUHMKB-BLLLJJGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001055901165 674228566 /nfs/dbraw/zinc/22/85/66/674228566.db2.gz ANRQFIAMRUHMKB-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001055901166 674228687 /nfs/dbraw/zinc/22/86/87/674228687.db2.gz ANRQFIAMRUHMKB-MLGOLLRUSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001055901167 674228585 /nfs/dbraw/zinc/22/85/85/674228585.db2.gz ANRQFIAMRUHMKB-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001055901544 674228885 /nfs/dbraw/zinc/22/88/85/674228885.db2.gz JTCOVGAAKQBJDC-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001055901545 674228868 /nfs/dbraw/zinc/22/88/68/674228868.db2.gz JTCOVGAAKQBJDC-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055901562 674228904 /nfs/dbraw/zinc/22/89/04/674228904.db2.gz JWIVRFKDGGBNMW-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001055901563 674228919 /nfs/dbraw/zinc/22/89/19/674228919.db2.gz JWIVRFKDGGBNMW-MRXNPFEDSA-N 1 0 340.424 -1.312 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001055901610 674229181 /nfs/dbraw/zinc/22/91/81/674229181.db2.gz KTIWCZXYIMCQAW-INIZCTEOSA-N 1 0 342.440 -1.068 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001055901611 674229198 /nfs/dbraw/zinc/22/91/98/674229198.db2.gz KTIWCZXYIMCQAW-MRXNPFEDSA-N 1 0 342.440 -1.068 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055901903 674229167 /nfs/dbraw/zinc/22/91/67/674229167.db2.gz LUQYIYINZWNRSE-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055901904 674229146 /nfs/dbraw/zinc/22/91/46/674229146.db2.gz LUQYIYINZWNRSE-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055901905 674229152 /nfs/dbraw/zinc/22/91/52/674229152.db2.gz LUQYIYINZWNRSE-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055901906 674229124 /nfs/dbraw/zinc/22/91/24/674229124.db2.gz LUQYIYINZWNRSE-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055901949 674229139 /nfs/dbraw/zinc/22/91/39/674229139.db2.gz MZTBHNBUHDDFDE-HNNXBMFYSA-N 1 0 328.413 -1.456 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055901950 674229248 /nfs/dbraw/zinc/22/92/48/674229248.db2.gz MZTBHNBUHDDFDE-OAHLLOKOSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)CC(=O)NC)C1 ZINC001055902192 674229212 /nfs/dbraw/zinc/22/92/12/674229212.db2.gz NTAMISBJTBETAP-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)NC)C1 ZINC001055902194 674229141 /nfs/dbraw/zinc/22/91/41/674229141.db2.gz NTAMISBJTBETAP-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)CC(=O)NC)C1 ZINC001055902773 674229435 /nfs/dbraw/zinc/22/94/35/674229435.db2.gz SDTPRPSAZNWBBG-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)NC)C1 ZINC001055902775 674229478 /nfs/dbraw/zinc/22/94/78/674229478.db2.gz SDTPRPSAZNWBBG-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055902816 674229518 /nfs/dbraw/zinc/22/95/18/674229518.db2.gz SLUMJOQEHJPOLK-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055902819 674229548 /nfs/dbraw/zinc/22/95/48/674229548.db2.gz SLUMJOQEHJPOLK-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055902823 674229470 /nfs/dbraw/zinc/22/94/70/674229470.db2.gz SLUMJOQEHJPOLK-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055902826 674229401 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EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001055917569 674231061 /nfs/dbraw/zinc/23/10/61/674231061.db2.gz CBIGMIWFYNPOBZ-IAQYHMDHSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001055917571 674231045 /nfs/dbraw/zinc/23/10/45/674231045.db2.gz CBIGMIWFYNPOBZ-NHYWBVRUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001055917573 674230998 /nfs/dbraw/zinc/23/09/98/674230998.db2.gz CBIGMIWFYNPOBZ-XHDPSFHLSA-N 1 0 342.396 -1.484 20 0 EAADRO Cn1nncc1C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055918878 674231714 /nfs/dbraw/zinc/23/17/14/674231714.db2.gz QFVJGDOVKVYIOR-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1nncc1C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055918879 674231640 /nfs/dbraw/zinc/23/16/40/674231640.db2.gz QFVJGDOVKVYIOR-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cnc(C(=O)N[C@@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001055921971 674232650 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C[NH+]1CCC(CC(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 ZINC001055945509 674235136 /nfs/dbraw/zinc/23/51/36/674235136.db2.gz KRAWVPGDYRNKSK-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(CC(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 ZINC001055945511 674235205 /nfs/dbraw/zinc/23/52/05/674235205.db2.gz KRAWVPGDYRNKSK-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055946998 674235486 /nfs/dbraw/zinc/23/54/86/674235486.db2.gz IPUGLNMBEPEJHT-BLLLJJGKSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055946999 674235424 /nfs/dbraw/zinc/23/54/24/674235424.db2.gz IPUGLNMBEPEJHT-LRDDRELGSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055947000 674235400 /nfs/dbraw/zinc/23/54/00/674235400.db2.gz IPUGLNMBEPEJHT-MLGOLLRUSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055947001 674235470 /nfs/dbraw/zinc/23/54/70/674235470.db2.gz IPUGLNMBEPEJHT-WBMJQRKESA-N 1 0 340.424 -1.186 20 0 EAADRO CN(C)C(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055951284 674236062 /nfs/dbraw/zinc/23/60/62/674236062.db2.gz ORXKFXUTFNUQGX-INIZCTEOSA-N 1 0 342.440 -1.114 20 0 EAADRO CN(C)C(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055951285 674236038 /nfs/dbraw/zinc/23/60/38/674236038.db2.gz ORXKFXUTFNUQGX-MRXNPFEDSA-N 1 0 342.440 -1.114 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001055952336 674236344 /nfs/dbraw/zinc/23/63/44/674236344.db2.gz BGJZSNIEXNPDDG-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001055952353 674236311 /nfs/dbraw/zinc/23/63/11/674236311.db2.gz BGJZSNIEXNPDDG-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001055952356 674236302 /nfs/dbraw/zinc/23/63/02/674236302.db2.gz BGJZSNIEXNPDDG-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001055952359 674236274 /nfs/dbraw/zinc/23/62/74/674236274.db2.gz BGJZSNIEXNPDDG-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055952426 674236308 /nfs/dbraw/zinc/23/63/08/674236308.db2.gz BXYVXPVXQRPNKI-BBRMVZONSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055952428 674236352 /nfs/dbraw/zinc/23/63/52/674236352.db2.gz BXYVXPVXQRPNKI-CJNGLKHVSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055952429 674236305 /nfs/dbraw/zinc/23/63/05/674236305.db2.gz BXYVXPVXQRPNKI-CZUORRHYSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055952431 674236330 /nfs/dbraw/zinc/23/63/30/674236330.db2.gz BXYVXPVXQRPNKI-XJKSGUPXSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055952675 674236322 /nfs/dbraw/zinc/23/63/22/674236322.db2.gz DFIZJKNMJUSGPN-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055952676 674236281 /nfs/dbraw/zinc/23/62/81/674236281.db2.gz DFIZJKNMJUSGPN-MRXNPFEDSA-N 1 0 340.424 -1.312 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953064 674236653 /nfs/dbraw/zinc/23/66/53/674236653.db2.gz QLACELXMGPJRPG-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953065 674236578 /nfs/dbraw/zinc/23/65/78/674236578.db2.gz QLACELXMGPJRPG-MRXNPFEDSA-N 1 0 340.424 -1.312 20 0 EAADRO NC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953268 674236574 /nfs/dbraw/zinc/23/65/74/674236574.db2.gz UYPKODWJYIFQQV-HNNXBMFYSA-N 1 0 341.412 -1.780 20 0 EAADRO NC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953269 674236628 /nfs/dbraw/zinc/23/66/28/674236628.db2.gz UYPKODWJYIFQQV-OAHLLOKOSA-N 1 0 341.412 -1.780 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953688 674236620 /nfs/dbraw/zinc/23/66/20/674236620.db2.gz IIOSFUMPSMPMQH-HNNXBMFYSA-N 1 0 326.397 -1.573 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953689 674236663 /nfs/dbraw/zinc/23/66/63/674236663.db2.gz IIOSFUMPSMPMQH-OAHLLOKOSA-N 1 0 326.397 -1.573 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CNC(N)=O)C2)C1 ZINC001055953907 674236636 /nfs/dbraw/zinc/23/66/36/674236636.db2.gz LCWYJHWZVQIDRF-ABAIWWIYSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)CNC(N)=O)C2)C1 ZINC001055953908 674236634 /nfs/dbraw/zinc/23/66/34/674236634.db2.gz LCWYJHWZVQIDRF-IAQYHMDHSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CNC(N)=O)C2)C1 ZINC001055953909 674236598 /nfs/dbraw/zinc/23/65/98/674236598.db2.gz LCWYJHWZVQIDRF-NHYWBVRUSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)CNC(N)=O)C2)C1 ZINC001055953910 674236612 /nfs/dbraw/zinc/23/66/12/674236612.db2.gz LCWYJHWZVQIDRF-XHDPSFHLSA-N 1 0 341.412 -1.924 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055954028 674236624 /nfs/dbraw/zinc/23/66/24/674236624.db2.gz MSDYVBVOPMZXSY-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055954029 674236655 /nfs/dbraw/zinc/23/66/55/674236655.db2.gz MSDYVBVOPMZXSY-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055954030 674236626 /nfs/dbraw/zinc/23/66/26/674236626.db2.gz MSDYVBVOPMZXSY-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055954031 674236644 /nfs/dbraw/zinc/23/66/44/674236644.db2.gz MSDYVBVOPMZXSY-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001055954974 674236661 /nfs/dbraw/zinc/23/66/61/674236661.db2.gz XZBIPTQDHCMCQA-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001055954977 674236659 /nfs/dbraw/zinc/23/66/59/674236659.db2.gz XZBIPTQDHCMCQA-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001055954980 674236676 /nfs/dbraw/zinc/23/66/76/674236676.db2.gz XZBIPTQDHCMCQA-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001055954983 674236647 /nfs/dbraw/zinc/23/66/47/674236647.db2.gz XZBIPTQDHCMCQA-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001055955194 674236953 /nfs/dbraw/zinc/23/69/53/674236953.db2.gz ZCTUPYXPDOELJC-ABAIWWIYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001055955195 674236915 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NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001055980002 674240486 /nfs/dbraw/zinc/24/04/86/674240486.db2.gz FFBQYYCDSCIJKH-INIZCTEOSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001055980003 674240501 /nfs/dbraw/zinc/24/05/01/674240501.db2.gz FFBQYYCDSCIJKH-MRXNPFEDSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001055980028 674240406 /nfs/dbraw/zinc/24/04/06/674240406.db2.gz GAIQOTTWBJSHOS-INIZCTEOSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001055980029 674240651 /nfs/dbraw/zinc/24/06/51/674240651.db2.gz GAIQOTTWBJSHOS-MRXNPFEDSA-N 1 0 340.424 -1.183 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001055980582 674240727 /nfs/dbraw/zinc/24/07/27/674240727.db2.gz LVSMLNIUAGFIPZ-HNNXBMFYSA-N 1 0 328.413 -1.328 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001055980584 674240708 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674242771 /nfs/dbraw/zinc/24/27/71/674242771.db2.gz JTGVYDBEWIFYQG-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)CC1 ZINC001055996907 674242897 /nfs/dbraw/zinc/24/28/97/674242897.db2.gz OCDYFUFNUDYDRL-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)CC1 ZINC001055996908 674242950 /nfs/dbraw/zinc/24/29/50/674242950.db2.gz OCDYFUFNUDYDRL-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO O=C(N[C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1cn[nH]n1 ZINC001056005365 674245029 /nfs/dbraw/zinc/24/50/29/674245029.db2.gz IXXWGUAABTUHAQ-INIZCTEOSA-N 1 0 348.407 -1.016 20 0 EAADRO O=C(N[C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1cn[nH]n1 ZINC001056005366 674245076 /nfs/dbraw/zinc/24/50/76/674245076.db2.gz IXXWGUAABTUHAQ-MRXNPFEDSA-N 1 0 348.407 -1.016 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)c3cn[nH]n3)C2)C1 ZINC001056005794 674245322 /nfs/dbraw/zinc/24/53/22/674245322.db2.gz RQPDAMXAKDQMHD-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)c3cn[nH]n3)C2)C1 ZINC001056005795 674245330 /nfs/dbraw/zinc/24/53/30/674245330.db2.gz RQPDAMXAKDQMHD-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC(=O)c3cn[nH]n3)C2)C1 ZINC001056005796 674245469 /nfs/dbraw/zinc/24/54/69/674245469.db2.gz RQPDAMXAKDQMHD-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)c3cn[nH]n3)C2)C1 ZINC001056005797 674245352 /nfs/dbraw/zinc/24/53/52/674245352.db2.gz RQPDAMXAKDQMHD-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO Cn1ncc(C(=O)N[C@@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001056009886 674246058 /nfs/dbraw/zinc/24/60/58/674246058.db2.gz DENNBEUYLVSAIC-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1ncc(C(=O)N[C@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001056009887 674246039 /nfs/dbraw/zinc/24/60/39/674246039.db2.gz DENNBEUYLVSAIC-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001056010430 674246409 /nfs/dbraw/zinc/24/64/09/674246409.db2.gz PGIPYKNMRQRCLT-INIZCTEOSA-N 1 0 345.359 -1.097 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001056010431 674246421 /nfs/dbraw/zinc/24/64/21/674246421.db2.gz PGIPYKNMRQRCLT-MRXNPFEDSA-N 1 0 345.359 -1.097 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001056018980 674246975 /nfs/dbraw/zinc/24/69/75/674246975.db2.gz AETPAROWLMUVCU-BLLLJJGKSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001056018981 674246960 /nfs/dbraw/zinc/24/69/60/674246960.db2.gz AETPAROWLMUVCU-LRDDRELGSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001056018982 674246946 /nfs/dbraw/zinc/24/69/46/674246946.db2.gz AETPAROWLMUVCU-MLGOLLRUSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001056018983 674247072 /nfs/dbraw/zinc/24/70/72/674247072.db2.gz AETPAROWLMUVCU-WBMJQRKESA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056019310 674247422 /nfs/dbraw/zinc/24/74/22/674247422.db2.gz HEUPYPFYRHJMID-HNNXBMFYSA-N 1 0 344.412 -2.090 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056019311 674247364 /nfs/dbraw/zinc/24/73/64/674247364.db2.gz HEUPYPFYRHJMID-OAHLLOKOSA-N 1 0 344.412 -2.090 20 0 EAADRO O=C(N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001056019548 674247442 /nfs/dbraw/zinc/24/74/42/674247442.db2.gz LBKNOSYLPFLVLA-INIZCTEOSA-N 1 0 348.407 -1.016 20 0 EAADRO O=C(N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001056019549 674247332 /nfs/dbraw/zinc/24/73/32/674247332.db2.gz LBKNOSYLPFLVLA-MRXNPFEDSA-N 1 0 348.407 -1.016 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056019602 674247314 /nfs/dbraw/zinc/24/73/14/674247314.db2.gz MGXGOFPDIMUBGO-AWEZNQCLSA-N 1 0 330.385 -2.480 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056019603 674247436 /nfs/dbraw/zinc/24/74/36/674247436.db2.gz MGXGOFPDIMUBGO-CQSZACIVSA-N 1 0 330.385 -2.480 20 0 EAADRO COCC(=O)N1CCC[C@](CO)(NC(=O)COCC[NH+](C)C)C1 ZINC001056019682 674247272 /nfs/dbraw/zinc/24/72/72/674247272.db2.gz NSBQLCYBULEQCU-HNNXBMFYSA-N 1 0 331.413 -1.319 20 0 EAADRO COCC(=O)N1CCC[C@@](CO)(NC(=O)COCC[NH+](C)C)C1 ZINC001056019683 674247324 /nfs/dbraw/zinc/24/73/24/674247324.db2.gz NSBQLCYBULEQCU-OAHLLOKOSA-N 1 0 331.413 -1.319 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001056019698 674247424 /nfs/dbraw/zinc/24/74/24/674247424.db2.gz OCIOTFOUXOXOEV-INIZCTEOSA-N 1 0 338.408 -1.573 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001056019699 674247409 /nfs/dbraw/zinc/24/74/09/674247409.db2.gz OCIOTFOUXOXOEV-MRXNPFEDSA-N 1 0 338.408 -1.573 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001056020472 674247266 /nfs/dbraw/zinc/24/72/66/674247266.db2.gz XQUILZXZBRPJNZ-ABAIWWIYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001056020473 674247305 /nfs/dbraw/zinc/24/73/05/674247305.db2.gz XQUILZXZBRPJNZ-IAQYHMDHSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001056020474 674247321 /nfs/dbraw/zinc/24/73/21/674247321.db2.gz XQUILZXZBRPJNZ-NHYWBVRUSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001056020475 674247260 /nfs/dbraw/zinc/24/72/60/674247260.db2.gz XQUILZXZBRPJNZ-XHDPSFHLSA-N 1 0 326.397 -1.717 20 0 EAADRO CC[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001056020885 674247413 /nfs/dbraw/zinc/24/74/13/674247413.db2.gz BGUHJWKICVZQPH-BBRMVZONSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)CNC(C)=O)C1)[NH+](C)C ZINC001056020886 674247400 /nfs/dbraw/zinc/24/74/00/674247400.db2.gz BGUHJWKICVZQPH-XJKSGUPXSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1)[NH+](C)C ZINC001056021656 674247390 /nfs/dbraw/zinc/24/73/90/674247390.db2.gz LZBYCYRBIPBEKJ-NHYWBVRUSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1)[NH+](C)C ZINC001056021658 674247428 /nfs/dbraw/zinc/24/74/28/674247428.db2.gz LZBYCYRBIPBEKJ-XHDPSFHLSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)NC)C1)[NH+](C)C ZINC001056022087 674247309 /nfs/dbraw/zinc/24/73/09/674247309.db2.gz PZRIWWAGJWLRMV-BLLLJJGKSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)CC(=O)NC)C1)[NH+](C)C ZINC001056022088 674247336 /nfs/dbraw/zinc/24/73/36/674247336.db2.gz PZRIWWAGJWLRMV-LRDDRELGSA-N 1 0 342.440 -1.068 20 0 EAADRO O=C(N[C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001056022842 674247718 /nfs/dbraw/zinc/24/77/18/674247718.db2.gz WKEGBJXUYQKYGE-INIZCTEOSA-N 1 0 348.407 -1.016 20 0 EAADRO O=C(N[C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001056022843 674247583 /nfs/dbraw/zinc/24/75/83/674247583.db2.gz WKEGBJXUYQKYGE-MRXNPFEDSA-N 1 0 348.407 -1.016 20 0 EAADRO CC[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001056022844 674247553 /nfs/dbraw/zinc/24/75/53/674247553.db2.gz WLOLXMVFOROURN-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1)[NH+](C)C ZINC001056022845 674247657 /nfs/dbraw/zinc/24/76/57/674247657.db2.gz WLOLXMVFOROURN-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001056025261 674247886 /nfs/dbraw/zinc/24/78/86/674247886.db2.gz LXMOWANNTXAXKK-INIZCTEOSA-N 1 0 345.359 -1.097 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001056025263 674247925 /nfs/dbraw/zinc/24/79/25/674247925.db2.gz LXMOWANNTXAXKK-MRXNPFEDSA-N 1 0 345.359 -1.097 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056029251 674247996 /nfs/dbraw/zinc/24/79/96/674247996.db2.gz IEVAKIKTWDUVSL-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056029252 674248013 /nfs/dbraw/zinc/24/80/13/674248013.db2.gz IEVAKIKTWDUVSL-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001056031374 674248229 /nfs/dbraw/zinc/24/82/29/674248229.db2.gz VVKMLEBUPJNNHB-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001056031375 674248585 /nfs/dbraw/zinc/24/85/85/674248585.db2.gz VVKMLEBUPJNNHB-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC(=O)NC)C1 ZINC001056031773 674248373 /nfs/dbraw/zinc/24/83/73/674248373.db2.gz DMVPMFXILAIZRS-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)NC)C1 ZINC001056031775 674248384 /nfs/dbraw/zinc/24/83/84/674248384.db2.gz DMVPMFXILAIZRS-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056032497 674248511 /nfs/dbraw/zinc/24/85/11/674248511.db2.gz LUTIRVMPXXZMBS-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056032498 674248428 /nfs/dbraw/zinc/24/84/28/674248428.db2.gz LUTIRVMPXXZMBS-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001056032695 674248579 /nfs/dbraw/zinc/24/85/79/674248579.db2.gz PQGICULHLWNJOQ-HOTGVXAUSA-N 1 0 338.408 -1.573 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001056032696 792023775 /nfs/dbraw/zinc/02/37/75/792023775.db2.gz PQGICULHLWNJOQ-JKSUJKDBSA-N 1 0 338.408 -1.573 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056032763 674248536 /nfs/dbraw/zinc/24/85/36/674248536.db2.gz RDVFUHKSJYUAGJ-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056032764 674248546 /nfs/dbraw/zinc/24/85/46/674248546.db2.gz RDVFUHKSJYUAGJ-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001056035844 674249084 /nfs/dbraw/zinc/24/90/84/674249084.db2.gz GITFBVHIWCZVBT-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001056035845 674249111 /nfs/dbraw/zinc/24/91/11/674249111.db2.gz GITFBVHIWCZVBT-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001056035846 674249034 /nfs/dbraw/zinc/24/90/34/674249034.db2.gz GITFBVHIWCZVBT-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001056035847 674249037 /nfs/dbraw/zinc/24/90/37/674249037.db2.gz GITFBVHIWCZVBT-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056036317 674249414 /nfs/dbraw/zinc/24/94/14/674249414.db2.gz MIJRPCSLXCMPMY-BLLLJJGKSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056036318 674249306 /nfs/dbraw/zinc/24/93/06/674249306.db2.gz MIJRPCSLXCMPMY-LRDDRELGSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056036319 674249242 /nfs/dbraw/zinc/24/92/42/674249242.db2.gz MIJRPCSLXCMPMY-MLGOLLRUSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056036320 674249417 /nfs/dbraw/zinc/24/94/17/674249417.db2.gz MIJRPCSLXCMPMY-WBMJQRKESA-N 1 0 342.440 -1.081 20 0 EAADRO O=C(N[C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnc[nH]1 ZINC001056045773 674251662 /nfs/dbraw/zinc/25/16/62/674251662.db2.gz QHWZYOLKFSPTOR-INIZCTEOSA-N 1 0 348.407 -1.016 20 0 EAADRO O=C(N[C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnc[nH]1 ZINC001056045774 674251398 /nfs/dbraw/zinc/25/13/98/674251398.db2.gz QHWZYOLKFSPTOR-MRXNPFEDSA-N 1 0 348.407 -1.016 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)c3nnc[nH]3)C2)C1 ZINC001056047743 674252099 /nfs/dbraw/zinc/25/20/99/674252099.db2.gz QFLDWASMZCESFF-ABAIWWIYSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)c3nnc[nH]3)C2)C1 ZINC001056047744 674251998 /nfs/dbraw/zinc/25/19/98/674251998.db2.gz QFLDWASMZCESFF-IAQYHMDHSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC(=O)c3nnc[nH]3)C2)C1 ZINC001056047746 674252161 /nfs/dbraw/zinc/25/21/61/674252161.db2.gz QFLDWASMZCESFF-NHYWBVRUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)c3nnc[nH]3)C2)C1 ZINC001056047747 674251943 /nfs/dbraw/zinc/25/19/43/674251943.db2.gz QFLDWASMZCESFF-XHDPSFHLSA-N 1 0 336.396 -1.160 20 0 EAADRO Cn1nnc(C(=O)N[C@@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001056057862 674253166 /nfs/dbraw/zinc/25/31/66/674253166.db2.gz LKKDTCUUKQWLAV-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)N[C@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001056057863 674253024 /nfs/dbraw/zinc/25/30/24/674253024.db2.gz LKKDTCUUKQWLAV-CQSZACIVSA-N 1 0 339.400 -1.755 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056057928 674253066 /nfs/dbraw/zinc/25/30/66/674253066.db2.gz CDZKQDRULHKDMT-BLLLJJGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056057929 674253313 /nfs/dbraw/zinc/25/33/13/674253313.db2.gz CDZKQDRULHKDMT-LRDDRELGSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056058469 674253396 /nfs/dbraw/zinc/25/33/96/674253396.db2.gz HZDIOBLSUADGCA-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056058470 674253327 /nfs/dbraw/zinc/25/33/27/674253327.db2.gz HZDIOBLSUADGCA-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001056068565 674254006 /nfs/dbraw/zinc/25/40/06/674254006.db2.gz CNUOLDGHKVMKQT-MKBNYLNASA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001056068566 674253909 /nfs/dbraw/zinc/25/39/09/674253909.db2.gz CNUOLDGHKVMKQT-MQIPJXDCSA-N 1 0 340.424 -1.328 20 0 EAADRO CC1CC[NH+](CC(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 ZINC001056080296 674255958 /nfs/dbraw/zinc/25/59/58/674255958.db2.gz QXOVAXLGHAUKEW-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1CC[NH+](CC(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 ZINC001056080297 674255962 /nfs/dbraw/zinc/25/59/62/674255962.db2.gz QXOVAXLGHAUKEW-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001056081421 674256002 /nfs/dbraw/zinc/25/60/02/674256002.db2.gz DJVDNTXLTYJPDU-ABAIWWIYSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001056081425 674255942 /nfs/dbraw/zinc/25/59/42/674255942.db2.gz DJVDNTXLTYJPDU-IAQYHMDHSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001056081426 674256015 /nfs/dbraw/zinc/25/60/15/674256015.db2.gz DJVDNTXLTYJPDU-NHYWBVRUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001056081427 674256044 /nfs/dbraw/zinc/25/60/44/674256044.db2.gz DJVDNTXLTYJPDU-XHDPSFHLSA-N 1 0 341.412 -1.911 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001056081620 674256094 /nfs/dbraw/zinc/25/60/94/674256094.db2.gz FKIDMESTRZNTBI-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001056081621 674256036 /nfs/dbraw/zinc/25/60/36/674256036.db2.gz FKIDMESTRZNTBI-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 ZINC001056082186 674256350 /nfs/dbraw/zinc/25/63/50/674256350.db2.gz IUMGSYSGMXRPTD-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 ZINC001056082188 674256254 /nfs/dbraw/zinc/25/62/54/674256254.db2.gz IUMGSYSGMXRPTD-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001056082829 674256628 /nfs/dbraw/zinc/25/66/28/674256628.db2.gz OINSQLIWAQQXNG-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001056082831 674256624 /nfs/dbraw/zinc/25/66/24/674256624.db2.gz OINSQLIWAQQXNG-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001056083146 674256637 /nfs/dbraw/zinc/25/66/37/674256637.db2.gz QSGRIOFUUUDDHP-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001056083147 674256641 /nfs/dbraw/zinc/25/66/41/674256641.db2.gz QSGRIOFUUUDDHP-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)CC1 ZINC001056083476 674256575 /nfs/dbraw/zinc/25/65/75/674256575.db2.gz SVQYIVUMXJFQGM-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)CC1 ZINC001056083478 674256660 /nfs/dbraw/zinc/25/66/60/674256660.db2.gz SVQYIVUMXJFQGM-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056084120 674256884 /nfs/dbraw/zinc/25/68/84/674256884.db2.gz XULNZKRLOORXAA-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056084121 674257183 /nfs/dbraw/zinc/25/71/83/674257183.db2.gz XULNZKRLOORXAA-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056087399 674257191 /nfs/dbraw/zinc/25/71/91/674257191.db2.gz ANBSBRDULZOVNB-AWEZNQCLSA-N 1 0 330.385 -2.480 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056087400 674257132 /nfs/dbraw/zinc/25/71/32/674257132.db2.gz ANBSBRDULZOVNB-CQSZACIVSA-N 1 0 330.385 -2.480 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CC1 ZINC001056087457 674257383 /nfs/dbraw/zinc/25/73/83/674257383.db2.gz BSOSFSIDIAKDSZ-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CC1 ZINC001056087458 674257459 /nfs/dbraw/zinc/25/74/59/674257459.db2.gz BSOSFSIDIAKDSZ-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056087559 674257473 /nfs/dbraw/zinc/25/74/73/674257473.db2.gz DYGGIJLAVMOLLW-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056087560 674257425 /nfs/dbraw/zinc/25/74/25/674257425.db2.gz DYGGIJLAVMOLLW-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CC1 ZINC001056087777 674257650 /nfs/dbraw/zinc/25/76/50/674257650.db2.gz KADVQQZWXLDVAP-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CC1 ZINC001056087778 674257686 /nfs/dbraw/zinc/25/76/86/674257686.db2.gz KADVQQZWXLDVAP-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001056087831 674257984 /nfs/dbraw/zinc/25/79/84/674257984.db2.gz KXLVEHLOMOWOOP-HFAKWTLXSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001056087832 674258004 /nfs/dbraw/zinc/25/80/04/674258004.db2.gz KXLVEHLOMOWOOP-UEKVPHQBSA-N 1 0 326.397 -1.718 20 0 EAADRO NC(=O)C(=O)N[C@@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001056087865 674258024 /nfs/dbraw/zinc/25/80/24/674258024.db2.gz LZXNXQCDKAPBGV-HNNXBMFYSA-N 1 0 338.408 -1.430 20 0 EAADRO NC(=O)C(=O)N[C@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001056087866 674257996 /nfs/dbraw/zinc/25/79/96/674257996.db2.gz LZXNXQCDKAPBGV-OAHLLOKOSA-N 1 0 338.408 -1.430 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056087875 674257734 /nfs/dbraw/zinc/25/77/34/674257734.db2.gz MGYWZCPZGRGVCR-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056087876 674258018 /nfs/dbraw/zinc/25/80/18/674258018.db2.gz MGYWZCPZGRGVCR-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO NC(=O)C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001056087939 674257972 /nfs/dbraw/zinc/25/79/72/674257972.db2.gz NMEOPIXOXQCUCJ-INIZCTEOSA-N 1 0 340.424 -1.183 20 0 EAADRO NC(=O)C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001056087940 674258021 /nfs/dbraw/zinc/25/80/21/674258021.db2.gz NMEOPIXOXQCUCJ-MRXNPFEDSA-N 1 0 340.424 -1.183 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CC1 ZINC001056088065 674258171 /nfs/dbraw/zinc/25/81/71/674258171.db2.gz QJKPKTOEFPTCNO-HNNXBMFYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CC1 ZINC001056088066 674258148 /nfs/dbraw/zinc/25/81/48/674258148.db2.gz QJKPKTOEFPTCNO-OAHLLOKOSA-N 1 0 326.397 -1.717 20 0 EAADRO CC(C)[C@H](C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1)[NH+](C)C ZINC001056088077 674258253 /nfs/dbraw/zinc/25/82/53/674258253.db2.gz QONLSVMNDSOXAH-ABAIWWIYSA-N 1 0 328.413 -1.472 20 0 EAADRO CC(C)[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1)[NH+](C)C ZINC001056088078 674258331 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-1.177 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001056103742 674262996 /nfs/dbraw/zinc/26/29/96/674262996.db2.gz QANMHVFJCROUGT-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001056103743 674263064 /nfs/dbraw/zinc/26/30/64/674263064.db2.gz QANMHVFJCROUGT-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO CCC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103754 674263122 /nfs/dbraw/zinc/26/31/22/674263122.db2.gz QGZXQSJDCZTCDQ-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103755 674263062 /nfs/dbraw/zinc/26/30/62/674263062.db2.gz QGZXQSJDCZTCDQ-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103766 674263015 /nfs/dbraw/zinc/26/30/15/674263015.db2.gz QNCMSBQTDYHWPL-HNNXBMFYSA-N 1 0 328.413 -1.456 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103767 674263031 /nfs/dbraw/zinc/26/30/31/674263031.db2.gz QNCMSBQTDYHWPL-OAHLLOKOSA-N 1 0 328.413 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001056103770 674263091 /nfs/dbraw/zinc/26/30/91/674263091.db2.gz QQHYGANJZKJJCF-MLGOLLRUSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001056103771 674263072 /nfs/dbraw/zinc/26/30/72/674263072.db2.gz QQHYGANJZKJJCF-WBMJQRKESA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001056103826 674263055 /nfs/dbraw/zinc/26/30/55/674263055.db2.gz UEUWUZUBBAEJQQ-AWEZNQCLSA-N 1 0 349.453 -1.548 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001056103827 674263075 /nfs/dbraw/zinc/26/30/75/674263075.db2.gz UEUWUZUBBAEJQQ-CQSZACIVSA-N 1 0 349.453 -1.548 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103858 674263081 /nfs/dbraw/zinc/26/30/81/674263081.db2.gz VUXINMPFLSTJRK-INIZCTEOSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103859 674263104 /nfs/dbraw/zinc/26/31/04/674263104.db2.gz VUXINMPFLSTJRK-MRXNPFEDSA-N 1 0 342.440 -1.114 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103938 674263086 /nfs/dbraw/zinc/26/30/86/674263086.db2.gz YDZHGHMGMBOBGK-NHYWBVRUSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056103939 674263069 /nfs/dbraw/zinc/26/30/69/674263069.db2.gz YDZHGHMGMBOBGK-XHDPSFHLSA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001056103942 674263037 /nfs/dbraw/zinc/26/30/37/674263037.db2.gz YGFCPLQPMKEVOW-AWEZNQCLSA-N 1 0 329.401 -1.924 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001056103943 674263059 /nfs/dbraw/zinc/26/30/59/674263059.db2.gz YGFCPLQPMKEVOW-CQSZACIVSA-N 1 0 329.401 -1.924 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104175 674263053 /nfs/dbraw/zinc/26/30/53/674263053.db2.gz AWADOJDLWRRJHB-BLLLJJGKSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104176 674263094 /nfs/dbraw/zinc/26/30/94/674263094.db2.gz AWADOJDLWRRJHB-LRDDRELGSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104177 674263023 /nfs/dbraw/zinc/26/30/23/674263023.db2.gz AWADOJDLWRRJHB-MLGOLLRUSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104178 674263042 /nfs/dbraw/zinc/26/30/42/674263042.db2.gz AWADOJDLWRRJHB-WBMJQRKESA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001056104326 674263088 /nfs/dbraw/zinc/26/30/88/674263088.db2.gz CTJYQXXFDOGJBV-HNNXBMFYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001056104332 674262989 /nfs/dbraw/zinc/26/29/89/674262989.db2.gz CTJYQXXFDOGJBV-OAHLLOKOSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001056104631 674263112 /nfs/dbraw/zinc/26/31/12/674263112.db2.gz FMVDJQVUDWDDKU-ABAIWWIYSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001056104634 674263058 /nfs/dbraw/zinc/26/30/58/674263058.db2.gz FMVDJQVUDWDDKU-IAQYHMDHSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001056104637 674263039 /nfs/dbraw/zinc/26/30/39/674263039.db2.gz FMVDJQVUDWDDKU-NHYWBVRUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001056104641 674262987 /nfs/dbraw/zinc/26/29/87/674262987.db2.gz FMVDJQVUDWDDKU-XHDPSFHLSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cncn2)C1 ZINC001056104803 674263043 /nfs/dbraw/zinc/26/30/43/674263043.db2.gz GUPXQKYIAGOVBA-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cncn2)C1 ZINC001056104805 674263067 /nfs/dbraw/zinc/26/30/67/674263067.db2.gz GUPXQKYIAGOVBA-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@](CO)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001056105115 674263003 /nfs/dbraw/zinc/26/30/03/674263003.db2.gz JPJMQXNGEMCKFH-AWEZNQCLSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001056105121 674263025 /nfs/dbraw/zinc/26/30/25/674263025.db2.gz JPJMQXNGEMCKFH-CQSZACIVSA-N 1 0 339.400 -1.755 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001056105163 674263034 /nfs/dbraw/zinc/26/30/34/674263034.db2.gz KWVQLTFBFTUWSZ-INIZCTEOSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001056105164 674263009 /nfs/dbraw/zinc/26/30/09/674263009.db2.gz KWVQLTFBFTUWSZ-MRXNPFEDSA-N 1 0 342.440 -1.081 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@](CO)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001056105614 674263373 /nfs/dbraw/zinc/26/33/73/674263373.db2.gz ODEQSHWRKBTBLB-HNNXBMFYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001056105617 674263325 /nfs/dbraw/zinc/26/33/25/674263325.db2.gz ODEQSHWRKBTBLB-OAHLLOKOSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2nccn2)C1 ZINC001056105733 674263371 /nfs/dbraw/zinc/26/33/71/674263371.db2.gz OMYJWWZGAVTKQF-HNNXBMFYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2nccn2)C1 ZINC001056105736 674263346 /nfs/dbraw/zinc/26/33/46/674263346.db2.gz OMYJWWZGAVTKQF-OAHLLOKOSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001056105786 674263357 /nfs/dbraw/zinc/26/33/57/674263357.db2.gz PMIRSLRUMWGNIW-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001056105789 674263289 /nfs/dbraw/zinc/26/32/89/674263289.db2.gz PMIRSLRUMWGNIW-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001056105791 674263398 /nfs/dbraw/zinc/26/33/98/674263398.db2.gz PMIRSLRUMWGNIW-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001056105794 674263339 /nfs/dbraw/zinc/26/33/39/674263339.db2.gz PMIRSLRUMWGNIW-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001056105882 674263344 /nfs/dbraw/zinc/26/33/44/674263344.db2.gz QQHYGANJZKJJCF-BLLLJJGKSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001056105884 674263301 /nfs/dbraw/zinc/26/33/01/674263301.db2.gz QQHYGANJZKJJCF-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CNC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056105934 674263330 /nfs/dbraw/zinc/26/33/30/674263330.db2.gz REALNRKOYRJWHU-HNNXBMFYSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056105937 674263279 /nfs/dbraw/zinc/26/32/79/674263279.db2.gz REALNRKOYRJWHU-OAHLLOKOSA-N 1 0 343.428 -1.663 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001056106041 674263286 /nfs/dbraw/zinc/26/32/86/674263286.db2.gz RZYMVQUTPQOABB-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001056106042 674263378 /nfs/dbraw/zinc/26/33/78/674263378.db2.gz RZYMVQUTPQOABB-WQGACYEGSA-N 1 0 340.424 -1.471 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056106547 674263322 /nfs/dbraw/zinc/26/33/22/674263322.db2.gz VNRUDZNIFZJWEH-INIZCTEOSA-N 1 0 342.440 -1.114 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056106549 674263254 /nfs/dbraw/zinc/26/32/54/674263254.db2.gz VNRUDZNIFZJWEH-MRXNPFEDSA-N 1 0 342.440 -1.114 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 ZINC001056106860 674263300 /nfs/dbraw/zinc/26/33/00/674263300.db2.gz XNESOUQTTBJUCR-HNNXBMFYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 ZINC001056106861 674263266 /nfs/dbraw/zinc/26/32/66/674263266.db2.gz XNESOUQTTBJUCR-OAHLLOKOSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001056106866 674263314 /nfs/dbraw/zinc/26/33/14/674263314.db2.gz XRUHWBQIZMBEQC-HNNXBMFYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001056106867 674263393 /nfs/dbraw/zinc/26/33/93/674263393.db2.gz XRUHWBQIZMBEQC-OAHLLOKOSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2ncnn2)C1 ZINC001056106934 674263306 /nfs/dbraw/zinc/26/33/06/674263306.db2.gz ZOSHQAKWDMFWET-AWEZNQCLSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2ncnn2)C1 ZINC001056106935 674263305 /nfs/dbraw/zinc/26/33/05/674263305.db2.gz ZOSHQAKWDMFWET-CQSZACIVSA-N 1 0 339.400 -1.906 20 0 EAADRO NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001056114786 674263560 /nfs/dbraw/zinc/26/35/60/674263560.db2.gz NDNSZOMEBQZYSO-HWPZZCPQSA-N 1 0 349.391 -1.215 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001056114787 674263555 /nfs/dbraw/zinc/26/35/55/674263555.db2.gz NDNSZOMEBQZYSO-MGPLVRAMSA-N 1 0 349.391 -1.215 20 0 EAADRO NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001056114788 674263602 /nfs/dbraw/zinc/26/36/02/674263602.db2.gz NDNSZOMEBQZYSO-QFYYESIMSA-N 1 0 349.391 -1.215 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001056114789 674263624 /nfs/dbraw/zinc/26/36/24/674263624.db2.gz NDNSZOMEBQZYSO-QLJPJBMISA-N 1 0 349.391 -1.215 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(C)=O)C1 ZINC001056117678 674263546 /nfs/dbraw/zinc/26/35/46/674263546.db2.gz PQHYGXKEHRQPQH-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CNC(C)=O)C1 ZINC001056117680 674263575 /nfs/dbraw/zinc/26/35/75/674263575.db2.gz PQHYGXKEHRQPQH-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1 ZINC001056122903 674263677 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20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056124578 674263929 /nfs/dbraw/zinc/26/39/29/674263929.db2.gz XYGXWYIZBUIMMO-HNNXBMFYSA-N 1 0 328.413 -1.327 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056124579 674264062 /nfs/dbraw/zinc/26/40/62/674264062.db2.gz XYGXWYIZBUIMMO-OAHLLOKOSA-N 1 0 328.413 -1.327 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(=O)NC)C1 ZINC001056124644 674264042 /nfs/dbraw/zinc/26/40/42/674264042.db2.gz ZVPHYKVDLKNAMV-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)NC)C1 ZINC001056124645 674263858 /nfs/dbraw/zinc/26/38/58/674263858.db2.gz ZVPHYKVDLKNAMV-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056125133 674263842 /nfs/dbraw/zinc/26/38/42/674263842.db2.gz VAZNOVMBCMYWGG-BLLLJJGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001056125135 674263934 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340.424 -1.327 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001056127959 674264287 /nfs/dbraw/zinc/26/42/87/674264287.db2.gz JSIBGRRTIYAYTF-MLGOLLRUSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)C1 ZINC001056127960 674264236 /nfs/dbraw/zinc/26/42/36/674264236.db2.gz JSIBGRRTIYAYTF-WBMJQRKESA-N 1 0 340.424 -1.327 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001056128133 674264313 /nfs/dbraw/zinc/26/43/13/674264313.db2.gz LJMKEOVLFDHZNN-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001056128135 674264279 /nfs/dbraw/zinc/26/42/79/674264279.db2.gz LJMKEOVLFDHZNN-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001056128184 674264169 /nfs/dbraw/zinc/26/41/69/674264169.db2.gz LXYOITUBCHVKMO-ABAIWWIYSA-N 1 0 326.397 -1.717 20 0 EAADRO 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CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001056885647 672470274 /nfs/dbraw/zinc/47/02/74/672470274.db2.gz NBZNHKHWAPGSGN-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001056885648 672470269 /nfs/dbraw/zinc/47/02/69/672470269.db2.gz NBZNHKHWAPGSGN-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001056885775 672470270 /nfs/dbraw/zinc/47/02/70/672470270.db2.gz OSQBASZDKSLNGA-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001056885776 672470173 /nfs/dbraw/zinc/47/01/73/672470173.db2.gz OSQBASZDKSLNGA-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001056885809 672470881 /nfs/dbraw/zinc/47/08/81/672470881.db2.gz PGVYZXUTJMZJHM-GFCCVEGCSA-N 1 0 330.429 -1.212 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001056885812 672470640 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CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001056886290 672471319 /nfs/dbraw/zinc/47/13/19/672471319.db2.gz USCRGFQHOBYCDC-YPMHNXCESA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001056886565 672471387 /nfs/dbraw/zinc/47/13/87/672471387.db2.gz XSVSNUQXNSSTDV-OUCADQQQSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001056886567 672471368 /nfs/dbraw/zinc/47/13/68/672471368.db2.gz XSVSNUQXNSSTDV-YRGRVCCFSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001056886580 672471398 /nfs/dbraw/zinc/47/13/98/672471398.db2.gz YIYMTQUFDKEOIS-AAEUAGOBSA-N 1 0 328.413 -1.600 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056886581 672471396 /nfs/dbraw/zinc/47/13/96/672471396.db2.gz YIYMTQUFDKEOIS-DGCLKSJQSA-N 1 0 328.413 -1.600 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056886582 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330.429 -1.212 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001056887114 672471970 /nfs/dbraw/zinc/47/19/70/672471970.db2.gz DAAPOVVPUKPHFJ-GFCCVEGCSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001056887115 672471962 /nfs/dbraw/zinc/47/19/62/672471962.db2.gz DAAPOVVPUKPHFJ-LBPRGKRZSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C)NC(C)=O ZINC001056887166 672471824 /nfs/dbraw/zinc/47/18/24/672471824.db2.gz FSLWSKPBHJNJAA-GFCCVEGCSA-N 1 0 330.429 -1.210 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)NC(C)=O ZINC001056887167 672471903 /nfs/dbraw/zinc/47/19/03/672471903.db2.gz FSLWSKPBHJNJAA-LBPRGKRZSA-N 1 0 330.429 -1.210 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001056887188 672471943 /nfs/dbraw/zinc/47/19/43/672471943.db2.gz GTAQQTDFCYFMIJ-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001056887189 672471918 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342.440 -1.210 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001056887257 672472465 /nfs/dbraw/zinc/47/24/65/672472465.db2.gz IQOAEXKLAVXZIM-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001056887555 672472751 /nfs/dbraw/zinc/47/27/51/672472751.db2.gz RKUGYTBIJCOXQZ-GFCCVEGCSA-N 1 0 330.429 -1.210 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001056887556 672472780 /nfs/dbraw/zinc/47/27/80/672472780.db2.gz RKUGYTBIJCOXQZ-LBPRGKRZSA-N 1 0 330.429 -1.210 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccc(=O)[nH]n1 ZINC001056887558 672472921 /nfs/dbraw/zinc/47/29/21/672472921.db2.gz RLRLMKFRMFHANJ-GFCCVEGCSA-N 1 0 337.380 -1.173 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(=O)[nH]n1 ZINC001056887559 672472994 /nfs/dbraw/zinc/47/29/94/672472994.db2.gz RLRLMKFRMFHANJ-LBPRGKRZSA-N 1 0 337.380 -1.173 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001056887619 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ZINC001056889385 672474136 /nfs/dbraw/zinc/47/41/36/672474136.db2.gz MUDVFEARDQUSKZ-UHFFFAOYSA-N 1 0 325.369 -1.315 20 0 EAADRO O=C(NCCN(CCO)C(=O)c1ccc(=O)[nH]n1)C12CC[NH+](CC1)C2 ZINC001056889724 672474016 /nfs/dbraw/zinc/47/40/16/672474016.db2.gz ZOWAQUFUTCIKSR-UHFFFAOYSA-N 1 0 349.391 -1.171 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 ZINC001056894476 672474988 /nfs/dbraw/zinc/47/49/88/672474988.db2.gz NROHRHGVWWUSNU-CYBMUJFWSA-N 1 0 331.413 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 ZINC001056894477 672475127 /nfs/dbraw/zinc/47/51/27/672475127.db2.gz NROHRHGVWWUSNU-ZDUSSCGKSA-N 1 0 331.413 -1.319 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)CNC(N)=O)C1 ZINC001056914398 672480548 /nfs/dbraw/zinc/48/05/48/672480548.db2.gz BCUAZMNJTINQCF-LLVKDONJSA-N 1 0 329.401 -2.066 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)CNC(N)=O)C1 ZINC001056914399 672480975 /nfs/dbraw/zinc/48/09/75/672480975.db2.gz BCUAZMNJTINQCF-NSHDSACASA-N 1 0 329.401 -2.066 20 0 EAADRO NC(=O)NCC(=O)N(CCO)CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001056914422 672481007 /nfs/dbraw/zinc/48/10/07/672481007.db2.gz CHLGBCMHOSFODB-UHFFFAOYSA-N 1 0 348.363 -1.447 20 0 EAADRO NC(=O)NCC(=O)N(CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001056914458 672481162 /nfs/dbraw/zinc/48/11/62/672481162.db2.gz DRYKBHOFQFAJIO-UHFFFAOYSA-N 1 0 341.412 -1.780 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056914656 672480969 /nfs/dbraw/zinc/48/09/69/672480969.db2.gz LPMKMBFPFUMABJ-UHFFFAOYSA-N 1 0 331.417 -1.676 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)CNC(N)=O)[NH+](C)C ZINC001056914783 672481503 /nfs/dbraw/zinc/48/15/03/672481503.db2.gz QDLLXGOIOKENIX-GFCCVEGCSA-N 1 0 331.417 -1.822 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)CNC(N)=O)[NH+](C)C ZINC001056914784 672481677 /nfs/dbraw/zinc/48/16/77/672481677.db2.gz QDLLXGOIOKENIX-LBPRGKRZSA-N 1 0 331.417 -1.822 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056914794 672481699 /nfs/dbraw/zinc/48/16/99/672481699.db2.gz 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C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056917577 672482898 /nfs/dbraw/zinc/48/28/98/672482898.db2.gz FZIIPXMVCZFFNE-NSHDSACASA-N 1 0 329.401 -1.924 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)CNC(N)=O)[NH+](CC)CC ZINC001056917614 672482958 /nfs/dbraw/zinc/48/29/58/672482958.db2.gz GWKSXSHHPZMAHU-GFCCVEGCSA-N 1 0 345.444 -1.288 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)CNC(N)=O)[NH+](CC)CC ZINC001056917615 672482869 /nfs/dbraw/zinc/48/28/69/672482869.db2.gz GWKSXSHHPZMAHU-LBPRGKRZSA-N 1 0 345.444 -1.288 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)CNC(N)=O)CC(C)(C)C ZINC001056917806 672483359 /nfs/dbraw/zinc/48/33/59/672483359.db2.gz NVRUISKGSINQIT-UHFFFAOYSA-N 1 0 345.444 -1.430 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056917819 672483389 /nfs/dbraw/zinc/48/33/89/672483389.db2.gz OLMANRWPRHMCJM-GFCCVEGCSA-N 1 0 343.428 -1.535 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056917820 672483293 /nfs/dbraw/zinc/48/32/93/672483293.db2.gz 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EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1COCCO1)[NH+](C)C ZINC001057043629 672517721 /nfs/dbraw/zinc/51/77/21/672517721.db2.gz IOEVZSQPRWCKSX-KGLIPLIRSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1)[NH+](C)C ZINC001057043630 672517531 /nfs/dbraw/zinc/51/75/31/672517531.db2.gz IOEVZSQPRWCKSX-UONOGXRCSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1COCCO1)[NH+](C)C ZINC001057043631 672517509 /nfs/dbraw/zinc/51/75/09/672517509.db2.gz IOEVZSQPRWCKSX-ZIAGYGMSSA-N 1 0 345.440 -1.075 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)CC1 ZINC001057043701 672518151 /nfs/dbraw/zinc/51/81/51/672518151.db2.gz KFJYLIUFORKOFL-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)CC1 ZINC001057043702 672518091 /nfs/dbraw/zinc/51/80/91/672518091.db2.gz KFJYLIUFORKOFL-ZDUSSCGKSA-N 1 0 343.424 -1.319 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057043715 672518117 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C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057043861 672518422 /nfs/dbraw/zinc/51/84/22/672518422.db2.gz NMCGDARVTCIPSJ-CYBMUJFWSA-N 1 0 331.413 -1.319 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001057043862 672518541 /nfs/dbraw/zinc/51/85/41/672518541.db2.gz NMCGDARVTCIPSJ-ZDUSSCGKSA-N 1 0 331.413 -1.319 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001057043863 672518469 /nfs/dbraw/zinc/51/84/69/672518469.db2.gz NMFPISCFSQCMGX-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001057043864 672518513 /nfs/dbraw/zinc/51/85/13/672518513.db2.gz NMFPISCFSQCMGX-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057043865 672518643 /nfs/dbraw/zinc/51/86/43/672518643.db2.gz NMFPISCFSQCMGX-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057043866 672518546 /nfs/dbraw/zinc/51/85/46/672518546.db2.gz NMFPISCFSQCMGX-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057043899 672518428 /nfs/dbraw/zinc/51/84/28/672518428.db2.gz OLTHKQJMEIWLAZ-CYBMUJFWSA-N 1 0 347.412 -2.083 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001057043900 672518625 /nfs/dbraw/zinc/51/86/25/672518625.db2.gz OLTHKQJMEIWLAZ-ZDUSSCGKSA-N 1 0 347.412 -2.083 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)CCC1 ZINC001057043992 672518939 /nfs/dbraw/zinc/51/89/39/672518939.db2.gz QUFBWFGLRQQBRB-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)CCC1 ZINC001057043993 672518931 /nfs/dbraw/zinc/51/89/31/672518931.db2.gz QUFBWFGLRQQBRB-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)C1 ZINC001057044010 672519025 /nfs/dbraw/zinc/51/90/25/672519025.db2.gz RGVSQMAEVOSICB-KBPBESRZSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)C1 ZINC001057044011 672519035 /nfs/dbraw/zinc/51/90/35/672519035.db2.gz RGVSQMAEVOSICB-KGLIPLIRSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)C1 ZINC001057044012 672518872 /nfs/dbraw/zinc/51/88/72/672518872.db2.gz RGVSQMAEVOSICB-UONOGXRCSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)C1 ZINC001057044013 672518856 /nfs/dbraw/zinc/51/88/56/672518856.db2.gz RGVSQMAEVOSICB-ZIAGYGMSSA-N 1 0 343.424 -1.319 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1)C1CCC1 ZINC001057044035 672518997 /nfs/dbraw/zinc/51/89/97/672518997.db2.gz RPLCLKGIJZFCSU-AWEZNQCLSA-N 1 0 343.424 -1.177 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1)C1CCC1 ZINC001057044036 672518945 /nfs/dbraw/zinc/51/89/45/672518945.db2.gz RPLCLKGIJZFCSU-CQSZACIVSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)CC1 ZINC001057044062 672518913 /nfs/dbraw/zinc/51/89/13/672518913.db2.gz SJRSHUDSMDXCHB-AWEZNQCLSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)CC1 ZINC001057044063 672519046 /nfs/dbraw/zinc/51/90/46/672519046.db2.gz SJRSHUDSMDXCHB-CQSZACIVSA-N 1 0 343.424 -1.319 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057044068 672518983 /nfs/dbraw/zinc/51/89/83/672518983.db2.gz SLZMEWVANIQBFY-CYBMUJFWSA-N 1 0 331.413 -1.319 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001057044069 672519016 /nfs/dbraw/zinc/51/90/16/672519016.db2.gz SLZMEWVANIQBFY-ZDUSSCGKSA-N 1 0 331.413 -1.319 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)C1 ZINC001057044181 672519053 /nfs/dbraw/zinc/51/90/53/672519053.db2.gz VGKKLBMOYJBPKX-KBPBESRZSA-N 1 0 343.424 -1.319 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)C1 ZINC001057044182 672519007 /nfs/dbraw/zinc/51/90/07/672519007.db2.gz VGKKLBMOYJBPKX-KGLIPLIRSA-N 1 0 343.424 -1.319 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)C1 ZINC001057044183 672519482 /nfs/dbraw/zinc/51/94/82/672519482.db2.gz VGKKLBMOYJBPKX-UONOGXRCSA-N 1 0 343.424 -1.319 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)C1 ZINC001057044184 672519491 /nfs/dbraw/zinc/51/94/91/672519491.db2.gz VGKKLBMOYJBPKX-ZIAGYGMSSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001057044301 672519291 /nfs/dbraw/zinc/51/92/91/672519291.db2.gz XVBCODWTQXIZAU-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001057044302 672519448 /nfs/dbraw/zinc/51/94/48/672519448.db2.gz XVBCODWTQXIZAU-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057044303 672519498 /nfs/dbraw/zinc/51/94/98/672519498.db2.gz XVBCODWTQXIZAU-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001057044304 672519427 /nfs/dbraw/zinc/51/94/27/672519427.db2.gz XVBCODWTQXIZAU-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2COCCO2)CC[N@@H+]1C ZINC001057044387 672519770 /nfs/dbraw/zinc/51/97/70/672519770.db2.gz ZNGKJQGUWZIULC-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2COCCO2)CC[N@@H+]1C ZINC001057044388 672519847 /nfs/dbraw/zinc/51/98/47/672519847.db2.gz ZNGKJQGUWZIULC-MGPQQGTHSA-N 1 0 343.424 -1.321 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)c1cc[nH]n1 ZINC001057045318 672520394 /nfs/dbraw/zinc/52/03/94/672520394.db2.gz SABIGIIYBHJIGI-UHFFFAOYSA-N 1 0 327.385 -1.461 20 0 EAADRO CCO[C@H](C)C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057059819 672524686 /nfs/dbraw/zinc/52/46/86/672524686.db2.gz BVAOQAOZOMJJDW-CYBMUJFWSA-N 1 0 333.429 -1.073 20 0 EAADRO CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057059820 672524704 /nfs/dbraw/zinc/52/47/04/672524704.db2.gz BVAOQAOZOMJJDW-ZDUSSCGKSA-N 1 0 333.429 -1.073 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)COCC1CC1 ZINC001057067515 672526497 /nfs/dbraw/zinc/52/64/97/672526497.db2.gz PRIFYYGUKLQLNV-UHFFFAOYSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)c1cn[nH]c1 ZINC001057073866 672528099 /nfs/dbraw/zinc/52/80/99/672528099.db2.gz JIOBMDVDZWLTJV-UHFFFAOYSA-N 1 0 327.385 -1.461 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057077852 672528751 /nfs/dbraw/zinc/52/87/51/672528751.db2.gz IMQPAPWWCUGFBJ-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1)[NH+](C)C ZINC001057077945 672529709 /nfs/dbraw/zinc/52/97/09/672529709.db2.gz MEFABYBNKNAPCQ-CYBMUJFWSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1)[NH+](C)C ZINC001057077946 672529747 /nfs/dbraw/zinc/52/97/47/672529747.db2.gz MEFABYBNKNAPCQ-ZDUSSCGKSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057078407 672529987 /nfs/dbraw/zinc/52/99/87/672529987.db2.gz VPULIVZHZDTIJV-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057078421 672529996 /nfs/dbraw/zinc/52/99/96/672529996.db2.gz WAFORCDKEWXXMS-CYBMUJFWSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057078422 672530048 /nfs/dbraw/zinc/53/00/48/672530048.db2.gz WAFORCDKEWXXMS-ZDUSSCGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057079351 672530914 /nfs/dbraw/zinc/53/09/14/672530914.db2.gz LTQQDALZEODLAO-UHFFFAOYSA-N 1 0 342.440 -1.210 20 0 EAADRO COCCCC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057079460 672531132 /nfs/dbraw/zinc/53/11/32/672531132.db2.gz OQSSTCHJHZDJNE-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057080939 672531491 /nfs/dbraw/zinc/53/14/91/672531491.db2.gz CJZYVVJELJZMCT-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)CNC(=O)C2CC2)C1 ZINC001057081362 672531907 /nfs/dbraw/zinc/53/19/07/672531907.db2.gz LZDDDRDNXFZNIW-CYBMUJFWSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)CNC(=O)C2CC2)C1 ZINC001057081363 672531838 /nfs/dbraw/zinc/53/18/38/672531838.db2.gz LZDDDRDNXFZNIW-ZDUSSCGKSA-N 1 0 340.424 -1.599 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057081644 672531759 /nfs/dbraw/zinc/53/17/59/672531759.db2.gz RWMOSRFNZYGMTO-UHFFFAOYSA-N 1 0 340.424 -1.455 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057081739 672531875 /nfs/dbraw/zinc/53/18/75/672531875.db2.gz WRPXOCUMHQMFRV-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001057081807 672531903 /nfs/dbraw/zinc/53/19/03/672531903.db2.gz ZCSWHSLJEFMKMQ-UHFFFAOYSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)c1cnsn1 ZINC001057086718 672533172 /nfs/dbraw/zinc/53/31/72/672533172.db2.gz FHOIHRBROLRBPY-UHFFFAOYSA-N 1 0 345.425 -1.333 20 0 EAADRO 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Cn1nncc1C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057474991 672688077 /nfs/dbraw/zinc/68/80/77/672688077.db2.gz YRMLDYCPTDXIIG-CYBMUJFWSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1nncc1C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001057474993 672688095 /nfs/dbraw/zinc/68/80/95/672688095.db2.gz YRMLDYCPTDXIIG-ZDUSSCGKSA-N 1 0 338.412 -1.294 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)c2cnnn2C)CC[N@@H+]1C ZINC001057475728 672688584 /nfs/dbraw/zinc/68/85/84/672688584.db2.gz BERZQKSGQBMOIP-VXGBXAGGSA-N 1 0 338.412 -1.294 20 0 EAADRO C[C@H](Cc1c[nH]cn1)C(=O)NCCN(CCO)C(=O)c1cnnn1C ZINC001057476021 672688365 /nfs/dbraw/zinc/68/83/65/672688365.db2.gz GUXROMAKASTYBJ-LLVKDONJSA-N 1 0 349.395 -1.032 20 0 EAADRO C[C@@H](Cc1c[nH]cn1)C(=O)NCCN(CCO)C(=O)c1cnnn1C ZINC001057476022 672688402 /nfs/dbraw/zinc/68/84/02/672688402.db2.gz GUXROMAKASTYBJ-NSHDSACASA-N 1 0 349.395 -1.032 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1cnnn1C ZINC001057476629 672689510 /nfs/dbraw/zinc/68/95/10/672689510.db2.gz PPILLUGLUXNBSH-UHFFFAOYSA-N 1 0 326.401 -1.294 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1)[NH+](C)C ZINC001057477550 672690825 /nfs/dbraw/zinc/69/08/25/672690825.db2.gz CDOGTXRDSKATOD-NEPJUHHUSA-N 1 0 344.412 -1.382 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)[NH+](C)C ZINC001057477556 672690693 /nfs/dbraw/zinc/69/06/93/672690693.db2.gz CDOGTXRDSKATOD-NWDGAFQWSA-N 1 0 344.412 -1.382 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)[NH+](C)C ZINC001057477559 672690629 /nfs/dbraw/zinc/69/06/29/672690629.db2.gz CDOGTXRDSKATOD-RYUDHWBXSA-N 1 0 344.412 -1.382 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1)[NH+](C)C ZINC001057477560 672690704 /nfs/dbraw/zinc/69/07/04/672690704.db2.gz CDOGTXRDSKATOD-VXGBXAGGSA-N 1 0 344.412 -1.382 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)CC1 ZINC001057477655 672690804 /nfs/dbraw/zinc/69/08/04/672690804.db2.gz CMIGERXDLXCQKX-GFCCVEGCSA-N 1 0 342.396 -1.626 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001057477657 672690835 /nfs/dbraw/zinc/69/08/35/672690835.db2.gz CMIGERXDLXCQKX-LBPRGKRZSA-N 1 0 342.396 -1.626 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057477751 672690785 /nfs/dbraw/zinc/69/07/85/672690785.db2.gz DKPYXRJYIBVUPN-GFCCVEGCSA-N 1 0 344.412 -1.236 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057477752 672690732 /nfs/dbraw/zinc/69/07/32/672690732.db2.gz DKPYXRJYIBVUPN-LBPRGKRZSA-N 1 0 344.412 -1.236 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)CC1 ZINC001057477970 672690818 /nfs/dbraw/zinc/69/08/18/672690818.db2.gz HHYFLRHIUOUTKW-LLVKDONJSA-N 1 0 342.396 -1.626 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001057477971 672690764 /nfs/dbraw/zinc/69/07/64/672690764.db2.gz HHYFLRHIUOUTKW-NSHDSACASA-N 1 0 342.396 -1.626 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057477998 672691265 /nfs/dbraw/zinc/69/12/65/672691265.db2.gz ICXDDBFKZYRMJJ-LLVKDONJSA-N 1 0 346.384 -2.390 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057477999 672691217 /nfs/dbraw/zinc/69/12/17/672691217.db2.gz ICXDDBFKZYRMJJ-NSHDSACASA-N 1 0 346.384 -2.390 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1)[NH+](C)C ZINC001057478082 672691258 /nfs/dbraw/zinc/69/12/58/672691258.db2.gz JKEQNMIOTPYQLO-GHMZBOCLSA-N 1 0 330.385 -1.628 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1)[NH+](C)C ZINC001057478083 672691290 /nfs/dbraw/zinc/69/12/90/672691290.db2.gz JKEQNMIOTPYQLO-MNOVXSKESA-N 1 0 330.385 -1.628 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)[NH+](C)C ZINC001057478084 672691318 /nfs/dbraw/zinc/69/13/18/672691318.db2.gz JKEQNMIOTPYQLO-QWRGUYRKSA-N 1 0 330.385 -1.628 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)[NH+](C)C ZINC001057478085 672691249 /nfs/dbraw/zinc/69/12/49/672691249.db2.gz JKEQNMIOTPYQLO-WDEREUQCSA-N 1 0 330.385 -1.628 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@H]1COC(=O)N1)C12CC[NH+](CC1)C2 ZINC001057478154 672691229 /nfs/dbraw/zinc/69/12/29/672691229.db2.gz KRXMKVLFHCSPKV-LLVKDONJSA-N 1 0 340.380 -1.872 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)C12CC[NH+](CC1)C2 ZINC001057478155 672691131 /nfs/dbraw/zinc/69/11/31/672691131.db2.gz KRXMKVLFHCSPKV-NSHDSACASA-N 1 0 340.380 -1.872 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)C1 ZINC001057478162 672691326 /nfs/dbraw/zinc/69/13/26/672691326.db2.gz LAVSLEYLEDKVDP-GHMZBOCLSA-N 1 0 328.369 -2.016 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001057478163 672691167 /nfs/dbraw/zinc/69/11/67/672691167.db2.gz LAVSLEYLEDKVDP-MNOVXSKESA-N 1 0 328.369 -2.016 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001057478164 672691090 /nfs/dbraw/zinc/69/10/90/672691090.db2.gz LAVSLEYLEDKVDP-QWRGUYRKSA-N 1 0 328.369 -2.016 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)C1 ZINC001057478165 672691300 /nfs/dbraw/zinc/69/13/00/672691300.db2.gz LAVSLEYLEDKVDP-WDEREUQCSA-N 1 0 328.369 -2.016 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057478220 672691703 /nfs/dbraw/zinc/69/17/03/672691703.db2.gz LXBNJJUIHABONB-LLVKDONJSA-N 1 0 344.412 -1.238 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057478221 672691567 /nfs/dbraw/zinc/69/15/67/672691567.db2.gz LXBNJJUIHABONB-NSHDSACASA-N 1 0 344.412 -1.238 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057478258 672691608 /nfs/dbraw/zinc/69/16/08/672691608.db2.gz MJVJQJIJYFYKLQ-LLVKDONJSA-N 1 0 330.385 -1.626 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057478259 672691809 /nfs/dbraw/zinc/69/18/09/672691809.db2.gz MJVJQJIJYFYKLQ-NSHDSACASA-N 1 0 330.385 -1.626 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001057478374 672691725 /nfs/dbraw/zinc/69/17/25/672691725.db2.gz OTYBZRCYJKLDHX-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)C1 ZINC001057478375 672691747 /nfs/dbraw/zinc/69/17/47/672691747.db2.gz OTYBZRCYJKLDHX-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001057478376 672691795 /nfs/dbraw/zinc/69/17/95/672691795.db2.gz OTYBZRCYJKLDHX-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)C1 ZINC001057478377 672691585 /nfs/dbraw/zinc/69/15/85/672691585.db2.gz OTYBZRCYJKLDHX-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057478388 672691699 /nfs/dbraw/zinc/69/16/99/672691699.db2.gz PADFKNPUCKESPX-LLVKDONJSA-N 1 0 330.385 -1.626 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057478389 672691605 /nfs/dbraw/zinc/69/16/05/672691605.db2.gz PADFKNPUCKESPX-NSHDSACASA-N 1 0 330.385 -1.626 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)CCC1 ZINC001057478398 672691541 /nfs/dbraw/zinc/69/15/41/672691541.db2.gz PCFVWYKGHZZTKW-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001057478399 672691552 /nfs/dbraw/zinc/69/15/52/672691552.db2.gz PCFVWYKGHZZTKW-NSHDSACASA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057478686 672692271 /nfs/dbraw/zinc/69/22/71/672692271.db2.gz QPTVNBBRQAKDFF-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057478687 672692058 /nfs/dbraw/zinc/69/20/58/672692058.db2.gz QPTVNBBRQAKDFF-NWDGAFQWSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057478688 672692258 /nfs/dbraw/zinc/69/22/58/672692258.db2.gz QPTVNBBRQAKDFF-RYUDHWBXSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057478689 672692190 /nfs/dbraw/zinc/69/21/90/672692190.db2.gz QPTVNBBRQAKDFF-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001057478907 672692202 /nfs/dbraw/zinc/69/22/02/672692202.db2.gz SATIMEGWXDKDSS-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)C1 ZINC001057478909 672692097 /nfs/dbraw/zinc/69/20/97/672692097.db2.gz SATIMEGWXDKDSS-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001057478912 672692029 /nfs/dbraw/zinc/69/20/29/672692029.db2.gz SATIMEGWXDKDSS-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)C1 ZINC001057478914 672692123 /nfs/dbraw/zinc/69/21/23/672692123.db2.gz SATIMEGWXDKDSS-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057479027 672692849 /nfs/dbraw/zinc/69/28/49/672692849.db2.gz UGAVZWOCVFSCNX-LLVKDONJSA-N 1 0 330.385 -1.626 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057479028 672692786 /nfs/dbraw/zinc/69/27/86/672692786.db2.gz UGAVZWOCVFSCNX-NSHDSACASA-N 1 0 330.385 -1.626 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057479193 672692866 /nfs/dbraw/zinc/69/28/66/672692866.db2.gz VOQRVUKYEULOSA-LLVKDONJSA-N 1 0 330.385 -1.626 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057479194 672692580 /nfs/dbraw/zinc/69/25/80/672692580.db2.gz VOQRVUKYEULOSA-NSHDSACASA-N 1 0 330.385 -1.626 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057479195 672692514 /nfs/dbraw/zinc/69/25/14/672692514.db2.gz VSLDJRZLVLKJBP-GFCCVEGCSA-N 1 0 344.412 -1.236 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057479196 672692689 /nfs/dbraw/zinc/69/26/89/672692689.db2.gz VSLDJRZLVLKJBP-LBPRGKRZSA-N 1 0 344.412 -1.236 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001057479223 672692673 /nfs/dbraw/zinc/69/26/73/672692673.db2.gz WJMIPTMUFNRBAY-NEPJUHHUSA-N 1 0 342.396 -1.628 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001057479224 672692680 /nfs/dbraw/zinc/69/26/80/672692680.db2.gz WJMIPTMUFNRBAY-NWDGAFQWSA-N 1 0 342.396 -1.628 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001057479225 672692829 /nfs/dbraw/zinc/69/28/29/672692829.db2.gz WJMIPTMUFNRBAY-RYUDHWBXSA-N 1 0 342.396 -1.628 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001057479226 672692838 /nfs/dbraw/zinc/69/28/38/672692838.db2.gz WJMIPTMUFNRBAY-VXGBXAGGSA-N 1 0 342.396 -1.628 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057479231 672692598 /nfs/dbraw/zinc/69/25/98/672692598.db2.gz WORMPYZEAHPMDO-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057479232 672692809 /nfs/dbraw/zinc/69/28/09/672692809.db2.gz WORMPYZEAHPMDO-NWDGAFQWSA-N 1 0 342.396 -1.484 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057479233 672692747 /nfs/dbraw/zinc/69/27/47/672692747.db2.gz WORMPYZEAHPMDO-RYUDHWBXSA-N 1 0 342.396 -1.484 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057479234 672692496 /nfs/dbraw/zinc/69/24/96/672692496.db2.gz WORMPYZEAHPMDO-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057479371 672692639 /nfs/dbraw/zinc/69/26/39/672692639.db2.gz XNSJPUVMRVTATL-LLVKDONJSA-N 1 0 328.369 -1.872 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057479372 672692718 /nfs/dbraw/zinc/69/27/18/672692718.db2.gz XNSJPUVMRVTATL-NSHDSACASA-N 1 0 328.369 -1.872 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1)C1CCC1 ZINC001057479465 672693352 /nfs/dbraw/zinc/69/33/52/672693352.db2.gz CMQKDAKPJACOLO-GFCCVEGCSA-N 1 0 342.396 -1.484 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)C1CCC1 ZINC001057479466 672693064 /nfs/dbraw/zinc/69/30/64/672693064.db2.gz CMQKDAKPJACOLO-LBPRGKRZSA-N 1 0 342.396 -1.484 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001057480092 672693331 /nfs/dbraw/zinc/69/33/31/672693331.db2.gz KYICTAHWDOPWMB-LLVKDONJSA-N 1 0 330.385 -1.628 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001057480093 672693224 /nfs/dbraw/zinc/69/32/24/672693224.db2.gz KYICTAHWDOPWMB-NSHDSACASA-N 1 0 330.385 -1.628 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2COC(=O)N2)CC[N@@H+]1C ZINC001057480229 672693173 /nfs/dbraw/zinc/69/31/73/672693173.db2.gz MGBNSJYCXFQSIJ-IJLUTSLNSA-N 1 0 342.396 -1.628 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1C ZINC001057480230 672693203 /nfs/dbraw/zinc/69/32/03/672693203.db2.gz MGBNSJYCXFQSIJ-UTUOFQBUSA-N 1 0 342.396 -1.628 20 0 EAADRO CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057486801 672694646 /nfs/dbraw/zinc/69/46/46/672694646.db2.gz YDCJESYXHGCTAZ-CQSZACIVSA-N 1 0 333.429 -1.481 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057493371 672696955 /nfs/dbraw/zinc/69/69/55/672696955.db2.gz ARKXEXUCASPALX-NEPJUHHUSA-N 1 0 338.412 -1.437 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057493372 672696732 /nfs/dbraw/zinc/69/67/32/672696732.db2.gz ARKXEXUCASPALX-NWDGAFQWSA-N 1 0 338.412 -1.437 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057493373 672696863 /nfs/dbraw/zinc/69/68/63/672696863.db2.gz ARKXEXUCASPALX-RYUDHWBXSA-N 1 0 338.412 -1.437 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057493374 672696743 /nfs/dbraw/zinc/69/67/43/672696743.db2.gz ARKXEXUCASPALX-VXGBXAGGSA-N 1 0 338.412 -1.437 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057493399 672696907 /nfs/dbraw/zinc/69/69/07/672696907.db2.gz BNBFNXTYXDNQGP-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)c1cn(C)nn1)[NH+](C)C ZINC001057493486 672697464 /nfs/dbraw/zinc/69/74/64/672697464.db2.gz DJZOZXSNMSJLPD-GFCCVEGCSA-N 1 0 326.401 -1.294 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)c1cn(C)nn1)[NH+](C)C ZINC001057493488 672697398 /nfs/dbraw/zinc/69/73/98/672697398.db2.gz DJZOZXSNMSJLPD-LBPRGKRZSA-N 1 0 326.401 -1.294 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001057493869 672697310 /nfs/dbraw/zinc/69/73/10/672697310.db2.gz FXZIYHYJEHDTDZ-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001057493870 672697403 /nfs/dbraw/zinc/69/74/03/672697403.db2.gz FXZIYHYJEHDTDZ-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001057493872 672697335 /nfs/dbraw/zinc/69/73/35/672697335.db2.gz FZSLDMZLCUISJX-UHFFFAOYSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)c2cn(C)nn2)C1 ZINC001057493901 672697440 /nfs/dbraw/zinc/69/74/40/672697440.db2.gz HASOROVIFBUDKV-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)c2cn(C)nn2)C1 ZINC001057493902 672697449 /nfs/dbraw/zinc/69/74/49/672697449.db2.gz HASOROVIFBUDKV-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)C2CC[NH+](C)CC2)nn1 ZINC001057493927 672697750 /nfs/dbraw/zinc/69/77/50/672697750.db2.gz HLZBXSZGXOKRFA-UHFFFAOYSA-N 1 0 338.412 -1.292 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C2CC2)[NH+](C)C)nn1 ZINC001057493932 672697728 /nfs/dbraw/zinc/69/77/28/672697728.db2.gz HOPMQWJEAQVSJC-CYBMUJFWSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@H](C2CC2)[NH+](C)C)nn1 ZINC001057493933 672697930 /nfs/dbraw/zinc/69/79/30/672697930.db2.gz HOPMQWJEAQVSJC-ZDUSSCGKSA-N 1 0 338.412 -1.294 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057494028 672697645 /nfs/dbraw/zinc/69/76/45/672697645.db2.gz KZQBJJFPESYJSN-GFCCVEGCSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057494029 672697627 /nfs/dbraw/zinc/69/76/27/672697627.db2.gz KZQBJJFPESYJSN-LBPRGKRZSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)nn1 ZINC001057494061 672697957 /nfs/dbraw/zinc/69/79/57/672697957.db2.gz MGYALLPAHPZGAP-UHFFFAOYSA-N 1 0 342.400 -2.056 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001057494097 672697858 /nfs/dbraw/zinc/69/78/58/672697858.db2.gz NOBIPHFPYGOMLF-UHFFFAOYSA-N 1 0 336.396 -1.538 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)c1cn(C)nn1)[NH+](C)C ZINC001057494124 672697963 /nfs/dbraw/zinc/69/79/63/672697963.db2.gz OGZUFXRXCQUMJT-CYBMUJFWSA-N 1 0 340.428 -1.048 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)c1cn(C)nn1)[NH+](C)C ZINC001057494125 672697890 /nfs/dbraw/zinc/69/78/90/672697890.db2.gz OGZUFXRXCQUMJT-ZDUSSCGKSA-N 1 0 340.428 -1.048 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057494127 672697985 /nfs/dbraw/zinc/69/79/85/672697985.db2.gz OJTKGZRXIOHRKK-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)C2([NH+](C)C)CCC2)nn1 ZINC001057494141 672697656 /nfs/dbraw/zinc/69/76/56/672697656.db2.gz ONZYMRVCAROLKA-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057494150 672698258 /nfs/dbraw/zinc/69/82/58/672698258.db2.gz OXXXIPJPSAWVHH-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)nn1 ZINC001057494249 672698135 /nfs/dbraw/zinc/69/81/35/672698135.db2.gz TVQAZYSXXNMAMC-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@H]2CN(C)CCO2)nn1 ZINC001057494381 672698284 /nfs/dbraw/zinc/69/82/84/672698284.db2.gz YBBYDHZSQYQSDH-GFCCVEGCSA-N 1 0 340.384 -2.304 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CN(C)CCO2)nn1 ZINC001057494382 672698310 /nfs/dbraw/zinc/69/83/10/672698310.db2.gz YBBYDHZSQYQSDH-LBPRGKRZSA-N 1 0 340.384 -2.304 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)C[N@H+](C)C2CCC2)nn1 ZINC001057495049 672698603 /nfs/dbraw/zinc/69/86/03/672698603.db2.gz CGAKPQPWKAIVRN-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC001057495544 672699216 /nfs/dbraw/zinc/69/92/16/672699216.db2.gz NHIQBQHZDBMQKP-CYBMUJFWSA-N 1 0 338.412 -1.150 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC001057495546 672699251 /nfs/dbraw/zinc/69/92/51/672699251.db2.gz NHIQBQHZDBMQKP-ZDUSSCGKSA-N 1 0 338.412 -1.150 20 0 EAADRO Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001057495954 672699550 /nfs/dbraw/zinc/69/95/50/672699550.db2.gz YCOHYAYGCPGPHX-GFCCVEGCSA-N 1 0 339.396 -1.048 20 0 EAADRO Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001057495955 672699519 /nfs/dbraw/zinc/69/95/19/672699519.db2.gz YCOHYAYGCPGPHX-LBPRGKRZSA-N 1 0 339.396 -1.048 20 0 EAADRO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001057496225 672700150 /nfs/dbraw/zinc/70/01/50/672700150.db2.gz JHVPTQJTJJCORZ-LLVKDONJSA-N 1 0 340.384 -2.304 20 0 EAADRO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001057496226 672700174 /nfs/dbraw/zinc/70/01/74/672700174.db2.gz JHVPTQJTJJCORZ-NSHDSACASA-N 1 0 340.384 -2.304 20 0 EAADRO Cn1cnc(C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001057496264 672700205 /nfs/dbraw/zinc/70/02/05/672700205.db2.gz KTWAIHMQMHNFAD-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO Cn1cnc(C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001057496265 672700076 /nfs/dbraw/zinc/70/00/76/672700076.db2.gz KTWAIHMQMHNFAD-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001057496311 672700611 /nfs/dbraw/zinc/70/06/11/672700611.db2.gz MIKVSNHADMGTLO-UHFFFAOYSA-N 1 0 326.401 -1.294 20 0 EAADRO Cn1cnc(C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001057496333 672700724 /nfs/dbraw/zinc/70/07/24/672700724.db2.gz NHLYBIOTTQTHNL-UHFFFAOYSA-N 1 0 336.396 -1.538 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)c2cn(C)nn2)CC[N@@H+]1C ZINC001057496344 672700650 /nfs/dbraw/zinc/70/06/50/672700650.db2.gz NWVPWHKHTVCTJZ-VXGBXAGGSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)n1 ZINC001057496626 672701104 /nfs/dbraw/zinc/70/11/04/672701104.db2.gz 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672701917 /nfs/dbraw/zinc/70/19/17/672701917.db2.gz NBQIEIMFDQNCPK-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001057498105 672701876 /nfs/dbraw/zinc/70/18/76/672701876.db2.gz PAYOAJYILNSWKP-GFCCVEGCSA-N 1 0 339.396 -1.191 20 0 EAADRO Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001057498106 672702097 /nfs/dbraw/zinc/70/20/97/672702097.db2.gz PAYOAJYILNSWKP-LBPRGKRZSA-N 1 0 339.396 -1.191 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 ZINC001057498177 672702308 /nfs/dbraw/zinc/70/23/08/672702308.db2.gz SIFVIJDBPOOMEH-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO Cn1cnc(C(=O)N(CCO)CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001057498206 672702408 /nfs/dbraw/zinc/70/24/08/672702408.db2.gz UMARVCHQHQDELW-UHFFFAOYSA-N 1 0 338.412 -1.292 20 0 EAADRO CNC(=O)NCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057498226 672702526 /nfs/dbraw/zinc/70/25/26/672702526.db2.gz UYXHFADQZBYOGS-GFCCVEGCSA-N 1 0 343.428 -1.663 20 0 EAADRO 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CNC(=O)NCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057499048 672703743 /nfs/dbraw/zinc/70/37/43/672703743.db2.gz STIBRBJCTBLWEG-UHFFFAOYSA-N 1 0 345.444 -1.417 20 0 EAADRO CNC(=O)NCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057500389 672704503 /nfs/dbraw/zinc/70/45/03/672704503.db2.gz BTNYVTIPPLEOAB-GFCCVEGCSA-N 1 0 343.428 -1.806 20 0 EAADRO CNC(=O)NCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057500391 672704485 /nfs/dbraw/zinc/70/44/85/672704485.db2.gz BTNYVTIPPLEOAB-LBPRGKRZSA-N 1 0 343.428 -1.806 20 0 EAADRO CNC(=O)NCCC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057500472 672704454 /nfs/dbraw/zinc/70/44/54/672704454.db2.gz DZFHOYDKYUWLNE-UHFFFAOYSA-N 1 0 331.417 -1.806 20 0 EAADRO CNC(=O)NCCC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001057500489 672704173 /nfs/dbraw/zinc/70/41/73/672704173.db2.gz FMSQBXRPSBMVHJ-UHFFFAOYSA-N 1 0 345.444 -1.416 20 0 EAADRO CNC(=O)NCCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001057500895 672704900 /nfs/dbraw/zinc/70/49/00/672704900.db2.gz 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CCn1nncc1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057506859 672706781 /nfs/dbraw/zinc/70/67/81/672706781.db2.gz ZGDWEHIPDZDTOG-LBPRGKRZSA-N 1 0 338.412 -1.200 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)c1ncc[nH]1 ZINC001057520032 672708308 /nfs/dbraw/zinc/70/83/08/672708308.db2.gz VCGYRSPAJDMMDB-UHFFFAOYSA-N 1 0 327.385 -1.461 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)CC1(O)CCC1 ZINC001057527752 672710061 /nfs/dbraw/zinc/71/00/61/672710061.db2.gz QNDCCXSDIJQSBK-UHFFFAOYSA-N 1 0 345.440 -1.193 20 0 EAADRO Cc1c[nH]nc1C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057528546 672710001 /nfs/dbraw/zinc/71/00/01/672710001.db2.gz ANSHBLREPZKXAH-UHFFFAOYSA-N 1 0 341.412 -1.153 20 0 EAADRO Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001057540473 672712717 /nfs/dbraw/zinc/71/27/17/672712717.db2.gz VDKIPKFQYSSKDO-GFCCVEGCSA-N 1 0 338.412 -1.313 20 0 EAADRO Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001057540474 672712765 /nfs/dbraw/zinc/71/27/65/672712765.db2.gz 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CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CCNC(N)=O ZINC001057552021 672718405 /nfs/dbraw/zinc/71/84/05/672718405.db2.gz BZVPUHVJQYIEMW-UHFFFAOYSA-N 1 0 331.417 -1.676 20 0 EAADRO NC(=O)NCCC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057552023 672718352 /nfs/dbraw/zinc/71/83/52/672718352.db2.gz CBMDRUNWCHYMCK-UHFFFAOYSA-N 1 0 341.412 -1.922 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CCNC(N)=O ZINC001057552143 672718699 /nfs/dbraw/zinc/71/86/99/672718699.db2.gz GXUJDCCQISMJAZ-UHFFFAOYSA-N 1 0 345.444 -1.286 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CCNC(N)=O ZINC001057552217 672719161 /nfs/dbraw/zinc/71/91/61/672719161.db2.gz JOMRVLVTHDDQTP-NEPJUHHUSA-N 1 0 343.428 -1.820 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)CCNC(N)=O ZINC001057552218 672719177 /nfs/dbraw/zinc/71/91/77/672719177.db2.gz JOMRVLVTHDDQTP-NWDGAFQWSA-N 1 0 343.428 -1.820 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CCNC(N)=O ZINC001057552219 672719044 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EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CN1C(=O)CCC1=O ZINC001057553970 672720736 /nfs/dbraw/zinc/72/07/36/672720736.db2.gz GGECKNSVAMXGBF-UHFFFAOYSA-N 1 0 342.396 -1.976 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)CCNC(N)=O)C1CCC1 ZINC001057554498 672721145 /nfs/dbraw/zinc/72/11/45/672721145.db2.gz RBWDBYUQGWUSKP-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)CCNC(N)=O ZINC001057554577 672721157 /nfs/dbraw/zinc/72/11/57/672721157.db2.gz SRAZSFXDCQICKU-GFCCVEGCSA-N 1 0 343.428 -1.534 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)CCNC(N)=O ZINC001057554578 672721291 /nfs/dbraw/zinc/72/12/91/672721291.db2.gz SRAZSFXDCQICKU-LBPRGKRZSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)Cn1ccccc1=O ZINC001057558008 672722416 /nfs/dbraw/zinc/72/24/16/672722416.db2.gz ADMBFVXGIGUZJE-UHFFFAOYSA-N 1 0 338.408 -1.263 20 0 EAADRO C[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)[NH+]1CCCCCC1 ZINC001057569406 672723724 /nfs/dbraw/zinc/72/37/24/672723724.db2.gz 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CCCC(=O)NCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057639801 672747231 /nfs/dbraw/zinc/74/72/31/672747231.db2.gz PNJBWOIDGXRHSA-UHFFFAOYSA-N 1 0 342.440 -1.064 20 0 EAADRO O=C(CNC(=O)C1CC1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057639840 672747165 /nfs/dbraw/zinc/74/71/65/672747165.db2.gz REGQXKHURJIYQX-UHFFFAOYSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001057639899 672747859 /nfs/dbraw/zinc/74/78/59/672747859.db2.gz UHPGMXULLOZLLZ-UHFFFAOYSA-N 1 0 336.392 -1.034 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)C1=COCCO1 ZINC001057639900 672747884 /nfs/dbraw/zinc/74/78/84/672747884.db2.gz UHZKMDLMDFMMKW-UHFFFAOYSA-N 1 0 327.381 -1.093 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001057639902 672747643 /nfs/dbraw/zinc/74/76/43/672747643.db2.gz UKJFBSVCNRDMSP-UHFFFAOYSA-N 1 0 337.380 -1.171 20 0 EAADRO O=C(Cn1cnnn1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057639919 672747879 /nfs/dbraw/zinc/74/78/79/672747879.db2.gz VBJGHPKCWACBNK-UHFFFAOYSA-N 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FMICVSRYFZDERM-UHFFFAOYSA-N 1 0 336.396 -1.295 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001057640284 672747891 /nfs/dbraw/zinc/74/78/91/672747891.db2.gz FVCXIWULSSNKSJ-CYBMUJFWSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001057640285 672747653 /nfs/dbraw/zinc/74/76/53/672747653.db2.gz FVCXIWULSSNKSJ-ZDUSSCGKSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)C1CS(=O)(=O)C1 ZINC001057640299 672747926 /nfs/dbraw/zinc/74/79/26/672747926.db2.gz GJVYMQFGUOEFDT-UHFFFAOYSA-N 1 0 347.437 -1.936 20 0 EAADRO Cn1oc(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)cc1=O ZINC001057640336 672747589 /nfs/dbraw/zinc/74/75/89/672747589.db2.gz HBCSEVIJLFCSEV-UHFFFAOYSA-N 1 0 340.380 -1.375 20 0 EAADRO C[C@@]1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CCC(=O)N1 ZINC001057640387 672747867 /nfs/dbraw/zinc/74/78/67/672747867.db2.gz IQZJPAGODJTGPX-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO O=C(CCc1nnc[nH]1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640397 672747768 /nfs/dbraw/zinc/74/77/68/672747768.db2.gz ITNPFYBOHLXPGZ-UHFFFAOYSA-N 1 0 338.412 -1.230 20 0 EAADRO O=C(C[C@H]1CCNC1=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640452 672747742 /nfs/dbraw/zinc/74/77/42/672747742.db2.gz JEDQOMFTCVJHCC-CYBMUJFWSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640454 672747933 /nfs/dbraw/zinc/74/79/33/672747933.db2.gz JEDQOMFTCVJHCC-ZDUSSCGKSA-N 1 0 340.424 -1.455 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640468 672747914 /nfs/dbraw/zinc/74/79/14/672747914.db2.gz JHZPOWNKHNTWDV-UHFFFAOYSA-N 1 0 328.413 -1.455 20 0 EAADRO CN1CCO[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640471 672747580 /nfs/dbraw/zinc/74/75/80/672747580.db2.gz JMTHFLXHIVXGNC-AWEZNQCLSA-N 1 0 342.440 -1.650 20 0 EAADRO CN1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640473 672747823 /nfs/dbraw/zinc/74/78/23/672747823.db2.gz JMTHFLXHIVXGNC-CQSZACIVSA-N 1 0 342.440 -1.650 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001057640476 672747705 /nfs/dbraw/zinc/74/77/05/672747705.db2.gz JNPBYJOCLRMTTE-LLVKDONJSA-N 1 0 327.385 -2.299 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001057640478 672747592 /nfs/dbraw/zinc/74/75/92/672747592.db2.gz JNPBYJOCLRMTTE-NSHDSACASA-N 1 0 327.385 -2.299 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001057640524 672747676 /nfs/dbraw/zinc/74/76/76/672747676.db2.gz KOIGNWTWKBSVAB-UHFFFAOYSA-N 1 0 337.380 -1.584 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640559 672747634 /nfs/dbraw/zinc/74/76/34/672747634.db2.gz LCOWAQWUXIYJOU-CHWSQXEVSA-N 1 0 341.408 -1.172 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640560 672747904 /nfs/dbraw/zinc/74/79/04/672747904.db2.gz LCOWAQWUXIYJOU-OLZOCXBDSA-N 1 0 341.408 -1.172 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640561 672747621 /nfs/dbraw/zinc/74/76/21/672747621.db2.gz LCOWAQWUXIYJOU-QWHCGFSZSA-N 1 0 341.408 -1.172 20 0 EAADRO COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640562 672747574 /nfs/dbraw/zinc/74/75/74/672747574.db2.gz LCOWAQWUXIYJOU-STQMWFEESA-N 1 0 341.408 -1.172 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640600 672747695 /nfs/dbraw/zinc/74/76/95/672747695.db2.gz MEDIWWIGSIEGGZ-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO Cn1cc(CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)cn1 ZINC001057640681 672747851 /nfs/dbraw/zinc/74/78/51/672747851.db2.gz MZCCRCIHVFYIHJ-UHFFFAOYSA-N 1 0 337.424 -1.005 20 0 EAADRO Cn1nccc1CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640690 672747608 /nfs/dbraw/zinc/74/76/08/672747608.db2.gz NQAASLLQTCGBII-UHFFFAOYSA-N 1 0 337.424 -1.005 20 0 EAADRO O=C(Cn1ncnn1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640746 672748236 /nfs/dbraw/zinc/74/82/36/672748236.db2.gz OMCMBFFGXHRBHV-UHFFFAOYSA-N 1 0 325.373 -2.294 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640757 672748434 /nfs/dbraw/zinc/74/84/34/672748434.db2.gz OOEZSFZNOZBLAW-AWEZNQCLSA-N 1 0 342.440 -1.650 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640758 672748406 /nfs/dbraw/zinc/74/84/06/672748406.db2.gz OOEZSFZNOZBLAW-CQSZACIVSA-N 1 0 342.440 -1.650 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640828 672748269 /nfs/dbraw/zinc/74/82/69/672748269.db2.gz PTMWFPAKLTWTMI-CYBMUJFWSA-N 1 0 340.424 -1.312 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640830 672748368 /nfs/dbraw/zinc/74/83/68/672748368.db2.gz PTMWFPAKLTWTMI-ZDUSSCGKSA-N 1 0 340.424 -1.312 20 0 EAADRO CCn1ncc(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)n1 ZINC001057640877 672748092 /nfs/dbraw/zinc/74/80/92/672748092.db2.gz PURMNUVGWAUROU-UHFFFAOYSA-N 1 0 338.412 -1.056 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001057640884 672748320 /nfs/dbraw/zinc/74/83/20/672748320.db2.gz PXLAZNIRIGLZHB-GFCCVEGCSA-N 1 0 326.397 -1.702 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001057640885 672748179 /nfs/dbraw/zinc/74/81/79/672748179.db2.gz PXLAZNIRIGLZHB-LBPRGKRZSA-N 1 0 326.397 -1.702 20 0 EAADRO CNC(=O)C1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC1 ZINC001057640900 672748344 /nfs/dbraw/zinc/74/83/44/672748344.db2.gz QGYKPDRRSARCJZ-UHFFFAOYSA-N 1 0 340.424 -1.455 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)[nH]c1=O ZINC001057640909 672748158 /nfs/dbraw/zinc/74/81/58/672748158.db2.gz QQESRELRIHIBQA-UHFFFAOYSA-N 1 0 339.396 -1.228 20 0 EAADRO CNC(=O)NCCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640944 672748200 /nfs/dbraw/zinc/74/82/00/672748200.db2.gz RJFVUIAVNFFJTR-UHFFFAOYSA-N 1 0 343.428 -1.662 20 0 EAADRO O=C(CCn1cnnn1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640980 672748444 /nfs/dbraw/zinc/74/84/44/672748444.db2.gz RXXBOQGNFVNSNW-UHFFFAOYSA-N 1 0 339.400 -1.904 20 0 EAADRO NC(=O)NC1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC1 ZINC001057641011 672748169 /nfs/dbraw/zinc/74/81/69/672748169.db2.gz SWYBIXXXLDJISQ-UHFFFAOYSA-N 1 0 341.412 -1.780 20 0 EAADRO C[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)n1cncn1 ZINC001057641012 672748398 /nfs/dbraw/zinc/74/83/98/672748398.db2.gz SYMHFXOULKQUER-CYBMUJFWSA-N 1 0 338.412 -1.128 20 0 EAADRO C[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)n1cncn1 ZINC001057641013 672748386 /nfs/dbraw/zinc/74/83/86/672748386.db2.gz SYMHFXOULKQUER-ZDUSSCGKSA-N 1 0 338.412 -1.128 20 0 EAADRO O=C(CN1CN=NC1=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641015 672748062 /nfs/dbraw/zinc/74/80/62/672748062.db2.gz SZFGXKRDNFDGND-UHFFFAOYSA-N 1 0 340.384 -1.983 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641018 672748423 /nfs/dbraw/zinc/74/84/23/672748423.db2.gz TUDQMUYYXUXPRG-CYBMUJFWSA-N 1 0 341.408 -1.028 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641019 672748078 /nfs/dbraw/zinc/74/80/78/672748078.db2.gz TUDQMUYYXUXPRG-ZDUSSCGKSA-N 1 0 341.408 -1.028 20 0 EAADRO Cc1nnc(CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001057641020 672748054 /nfs/dbraw/zinc/74/80/54/672748054.db2.gz TVIXCJQJCDQQGW-UHFFFAOYSA-N 1 0 338.412 -1.311 20 0 EAADRO Cc1nonc1CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641140 672748186 /nfs/dbraw/zinc/74/81/86/672748186.db2.gz UJRACAFSMQVZAW-UHFFFAOYSA-N 1 0 339.396 -1.047 20 0 EAADRO CCNC(=O)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641151 672748454 /nfs/dbraw/zinc/74/84/54/672748454.db2.gz UNQVAXMBKOPCPE-UHFFFAOYSA-N 1 0 342.440 -1.064 20 0 EAADRO CC(=O)N1CC(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057641157 672748081 /nfs/dbraw/zinc/74/80/81/672748081.db2.gz VAFGCUUMTYWHMC-UHFFFAOYSA-N 1 0 340.424 -1.502 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641159 672748128 /nfs/dbraw/zinc/74/81/28/672748128.db2.gz VBQBFOBKDRKKIS-UHFFFAOYSA-N 1 0 331.413 -1.318 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641169 672748111 /nfs/dbraw/zinc/74/81/11/672748111.db2.gz VHMDJKKEGJAUTQ-AWEZNQCLSA-N 1 0 343.424 -1.175 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641170 672748352 /nfs/dbraw/zinc/74/83/52/672748352.db2.gz VHMDJKKEGJAUTQ-CQSZACIVSA-N 1 0 343.424 -1.175 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)C(=O)NCC1CC1 ZINC001057641172 672748327 /nfs/dbraw/zinc/74/83/27/672748327.db2.gz VIAOONBLYKLDAV-UHFFFAOYSA-N 1 0 340.424 -1.455 20 0 EAADRO C[C@]1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CCNC1=O ZINC001057641189 672748311 /nfs/dbraw/zinc/74/83/11/672748311.db2.gz WCMHPTFDTSEHCC-INIZCTEOSA-N 1 0 340.424 -1.455 20 0 EAADRO C[C@@]1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CCNC1=O ZINC001057641190 672748150 /nfs/dbraw/zinc/74/81/50/672748150.db2.gz WCMHPTFDTSEHCC-MRXNPFEDSA-N 1 0 340.424 -1.455 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641199 672748450 /nfs/dbraw/zinc/74/84/50/672748450.db2.gz WLNBGHUYYYDBRP-UHFFFAOYSA-N 1 0 328.413 -1.455 20 0 EAADRO Cn1ncc(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)c1N ZINC001057641202 672748261 /nfs/dbraw/zinc/74/82/61/672748261.db2.gz WPTHRLZQCHUJQZ-UHFFFAOYSA-N 1 0 338.412 -1.351 20 0 EAADRO C[C@H](CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)NC(N)=O ZINC001057641209 672748227 /nfs/dbraw/zinc/74/82/27/672748227.db2.gz WWINNFNPVAVLMB-GFCCVEGCSA-N 1 0 343.428 -1.534 20 0 EAADRO C[C@@H](CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)NC(N)=O ZINC001057641210 672748252 /nfs/dbraw/zinc/74/82/52/672748252.db2.gz WWINNFNPVAVLMB-LBPRGKRZSA-N 1 0 343.428 -1.534 20 0 EAADRO CNC(=O)CCCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641214 672748068 /nfs/dbraw/zinc/74/80/68/672748068.db2.gz XBPFCULEIGTCBK-UHFFFAOYSA-N 1 0 342.440 -1.064 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC001057641215 672748074 /nfs/dbraw/zinc/74/80/74/672748074.db2.gz XCGWUTAAIBFSSZ-LLVKDONJSA-N 1 0 328.369 -1.872 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001057641216 672748282 /nfs/dbraw/zinc/74/82/82/672748282.db2.gz XCGWUTAAIBFSSZ-NSHDSACASA-N 1 0 328.369 -1.872 20 0 EAADRO Cc1c(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)nnn1C ZINC001057641217 672748360 /nfs/dbraw/zinc/74/83/60/672748360.db2.gz XCWRDQJXRZHHHC-UHFFFAOYSA-N 1 0 338.412 -1.230 20 0 EAADRO O=C(CN1CCOCC1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641219 672748301 /nfs/dbraw/zinc/74/83/01/672748301.db2.gz XFZJLKYPUDEMDD-UHFFFAOYSA-N 1 0 342.440 -1.649 20 0 EAADRO Cc1nnc(CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)o1 ZINC001057641227 672748119 /nfs/dbraw/zinc/74/81/19/672748119.db2.gz XSXIBCZVKCNJTC-UHFFFAOYSA-N 1 0 339.396 -1.047 20 0 EAADRO NC(=O)C1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC1 ZINC001057641246 672748144 /nfs/dbraw/zinc/74/81/44/672748144.db2.gz YGKGYZSYMSUODB-UHFFFAOYSA-N 1 0 326.397 -1.715 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641258 672748340 /nfs/dbraw/zinc/74/83/40/672748340.db2.gz YQTDEGJYOBXCOE-NSHDSACASA-N 1 0 329.401 -1.924 20 0 EAADRO Cn1ccc(CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)n1 ZINC001057641266 672748100 /nfs/dbraw/zinc/74/81/00/672748100.db2.gz ZIJORHBNCYBPHR-UHFFFAOYSA-N 1 0 337.424 -1.005 20 0 EAADRO O=C(CCn1ccnn1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641271 672748414 /nfs/dbraw/zinc/74/84/14/672748414.db2.gz ZMUJZEJHSLEYBJ-UHFFFAOYSA-N 1 0 338.412 -1.299 20 0 EAADRO CN1C[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)NC1=O ZINC001057641722 672748582 /nfs/dbraw/zinc/74/85/82/672748582.db2.gz CFDFCKNYXONNHG-GFCCVEGCSA-N 1 0 341.412 -1.957 20 0 EAADRO CN1C[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)NC1=O ZINC001057641723 672748829 /nfs/dbraw/zinc/74/88/29/672748829.db2.gz CFDFCKNYXONNHG-LBPRGKRZSA-N 1 0 341.412 -1.957 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641744 672748802 /nfs/dbraw/zinc/74/88/02/672748802.db2.gz CSAGUVFBKYSALF-CHWSQXEVSA-N 1 0 340.424 -1.469 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641745 672748639 /nfs/dbraw/zinc/74/86/39/672748639.db2.gz CSAGUVFBKYSALF-OLZOCXBDSA-N 1 0 340.424 -1.469 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641746 672748883 /nfs/dbraw/zinc/74/88/83/672748883.db2.gz CSAGUVFBKYSALF-QWHCGFSZSA-N 1 0 340.424 -1.469 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641747 672748653 /nfs/dbraw/zinc/74/86/53/672748653.db2.gz CSAGUVFBKYSALF-STQMWFEESA-N 1 0 340.424 -1.469 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641951 672748755 /nfs/dbraw/zinc/74/87/55/672748755.db2.gz FEKACRXFLDIDGF-CYBMUJFWSA-N 1 0 340.424 -1.360 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641952 672748886 /nfs/dbraw/zinc/74/88/86/672748886.db2.gz FEKACRXFLDIDGF-ZDUSSCGKSA-N 1 0 340.424 -1.360 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641981 672748763 /nfs/dbraw/zinc/74/87/63/672748763.db2.gz HDQWJPGUEPWSET-GFCCVEGCSA-N 1 0 328.413 -1.469 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641982 672748748 /nfs/dbraw/zinc/74/87/48/672748748.db2.gz HDQWJPGUEPWSET-LBPRGKRZSA-N 1 0 328.413 -1.469 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641985 672748822 /nfs/dbraw/zinc/74/88/22/672748822.db2.gz HEQJCKSNRWHDBV-UHFFFAOYSA-N 1 0 328.413 -1.469 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001057641990 672748591 /nfs/dbraw/zinc/74/85/91/672748591.db2.gz HMOPTQCOEXXITB-UHFFFAOYSA-N 1 0 337.380 -1.171 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642021 672748895 /nfs/dbraw/zinc/74/88/95/672748895.db2.gz IIMFIMVWQIMHMF-NEPJUHHUSA-N 1 0 326.397 -1.859 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642022 672748778 /nfs/dbraw/zinc/74/87/78/672748778.db2.gz IJVZKEGYNRCFRJ-UHFFFAOYSA-N 1 0 329.401 -2.052 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1CCCNC1=O ZINC001057642226 672748685 /nfs/dbraw/zinc/74/86/85/672748685.db2.gz IRSIJODHOFRAHR-CYBMUJFWSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1CCCNC1=O ZINC001057642227 672748878 /nfs/dbraw/zinc/74/88/78/672748878.db2.gz IRSIJODHOFRAHR-ZDUSSCGKSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001057642228 672748856 /nfs/dbraw/zinc/74/88/56/672748856.db2.gz IRZNTJLKINLPDZ-CYBMUJFWSA-N 1 0 340.424 -1.312 20 0 EAADRO NC(=O)CCCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642455 672749243 /nfs/dbraw/zinc/74/92/43/672749243.db2.gz NROMOEVKWHZBGP-UHFFFAOYSA-N 1 0 328.413 -1.325 20 0 EAADRO Cn1c(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)c[nH]c1=O ZINC001057642498 672749304 /nfs/dbraw/zinc/74/93/04/672749304.db2.gz OZRCSXPRZCJAMW-UHFFFAOYSA-N 1 0 339.396 -1.228 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642502 672749331 /nfs/dbraw/zinc/74/93/31/672749331.db2.gz PASCXDOWWSYVIU-UHFFFAOYSA-N 1 0 328.413 -1.502 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)c1cnc[nH]c1=O ZINC001057642506 672749054 /nfs/dbraw/zinc/74/90/54/672749054.db2.gz PFBOYNDLIBNZSL-UHFFFAOYSA-N 1 0 337.380 -1.171 20 0 EAADRO NC(=O)NCCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642508 672749045 /nfs/dbraw/zinc/74/90/45/672749045.db2.gz PFHOXZMJXVARHS-UHFFFAOYSA-N 1 0 329.401 -1.922 20 0 EAADRO CN1CC[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1=O ZINC001057642530 672749128 /nfs/dbraw/zinc/74/91/28/672749128.db2.gz PSDGQLLHMHDGSF-CYBMUJFWSA-N 1 0 340.424 -1.502 20 0 EAADRO CN1CC[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1=O ZINC001057642531 672749082 /nfs/dbraw/zinc/74/90/82/672749082.db2.gz PSDGQLLHMHDGSF-ZDUSSCGKSA-N 1 0 340.424 -1.502 20 0 EAADRO CS(=O)(=O)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642539 672749285 /nfs/dbraw/zinc/74/92/85/672749285.db2.gz QALKNUYLLNYSGG-UHFFFAOYSA-N 1 0 349.453 -1.546 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642564 672749146 /nfs/dbraw/zinc/74/91/46/672749146.db2.gz QUBLWYVIQBFBOD-ZFWWWQNUSA-N 1 0 343.424 -1.177 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001057642604 672749174 /nfs/dbraw/zinc/74/91/74/672749174.db2.gz RDHWBZUZBYGIDC-CYBMUJFWSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001057642605 672749271 /nfs/dbraw/zinc/74/92/71/672749271.db2.gz RDHWBZUZBYGIDC-ZDUSSCGKSA-N 1 0 340.424 -1.455 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)n1 ZINC001057642607 672749366 /nfs/dbraw/zinc/74/93/66/672749366.db2.gz REGXBCDNQUYQKG-UHFFFAOYSA-N 1 0 325.373 -2.143 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001057642680 672749256 /nfs/dbraw/zinc/74/92/56/672749256.db2.gz SZKZXQMUHZGYRQ-NHAGDIPZSA-N 1 0 325.409 -1.088 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642704 672749341 /nfs/dbraw/zinc/74/93/41/672749341.db2.gz UELBQPGNYPOJAU-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642705 672749338 /nfs/dbraw/zinc/74/93/38/672749338.db2.gz UELBQPGNYPOJAU-ZDUSSCGKSA-N 1 0 342.440 -1.066 20 0 EAADRO CN1C[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC1=O ZINC001057642828 672749276 /nfs/dbraw/zinc/74/92/76/672749276.db2.gz WMBXLYZAQJFKOT-CYBMUJFWSA-N 1 0 340.424 -1.502 20 0 EAADRO CN1C[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC1=O ZINC001057642830 672749348 /nfs/dbraw/zinc/74/93/48/672749348.db2.gz WMBXLYZAQJFKOT-ZDUSSCGKSA-N 1 0 340.424 -1.502 20 0 EAADRO O=C(CCc1cn[nH]n1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642839 672749323 /nfs/dbraw/zinc/74/93/23/672749323.db2.gz WPXTZCOVKJPMIE-UHFFFAOYSA-N 1 0 338.412 -1.230 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001057642853 672749095 /nfs/dbraw/zinc/74/90/95/672749095.db2.gz XEXGWZHSERNXRC-GFCCVEGCSA-N 1 0 326.397 -1.845 20 0 EAADRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001057642854 672749065 /nfs/dbraw/zinc/74/90/65/672749065.db2.gz XEXGWZHSERNXRC-LBPRGKRZSA-N 1 0 326.397 -1.845 20 0 EAADRO C[C@@]1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CNC(=O)C1 ZINC001057642887 672749280 /nfs/dbraw/zinc/74/92/80/672749280.db2.gz XTIYZGFAGAEMKP-INIZCTEOSA-N 1 0 340.424 -1.455 20 0 EAADRO C[C@]1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CNC(=O)C1 ZINC001057642888 672749118 /nfs/dbraw/zinc/74/91/18/672749118.db2.gz XTIYZGFAGAEMKP-MRXNPFEDSA-N 1 0 340.424 -1.455 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642893 672749298 /nfs/dbraw/zinc/74/92/98/672749298.db2.gz XUSIUXGTYHVGKC-AWEZNQCLSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642894 672749213 /nfs/dbraw/zinc/74/92/13/672749213.db2.gz XUSIUXGTYHVGKC-CQSZACIVSA-N 1 0 342.440 -1.066 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057643549 672749823 /nfs/dbraw/zinc/74/98/23/672749823.db2.gz BSGIBTZEDYNOST-GFCCVEGCSA-N 1 0 344.412 -2.233 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057643550 672749819 /nfs/dbraw/zinc/74/98/19/672749819.db2.gz BSGIBTZEDYNOST-LBPRGKRZSA-N 1 0 344.412 -2.233 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057643551 672749711 /nfs/dbraw/zinc/74/97/11/672749711.db2.gz BSHVPXPOISQDNQ-LLVKDONJSA-N 1 0 330.385 -2.623 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057643552 672749795 /nfs/dbraw/zinc/74/97/95/672749795.db2.gz BSHVPXPOISQDNQ-NSHDSACASA-N 1 0 330.385 -2.623 20 0 EAADRO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001057643592 672749607 /nfs/dbraw/zinc/74/96/07/672749607.db2.gz DJRZOWFHERDUTJ-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001057643593 672749558 /nfs/dbraw/zinc/74/95/58/672749558.db2.gz DJRZOWFHERDUTJ-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001057643594 672749595 /nfs/dbraw/zinc/74/95/95/672749595.db2.gz DJRZOWFHERDUTJ-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001057643595 672749722 /nfs/dbraw/zinc/74/97/22/672749722.db2.gz DJRZOWFHERDUTJ-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO CCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001057643707 672749602 /nfs/dbraw/zinc/74/96/02/672749602.db2.gz IPODQSJDZUWKHV-AWEZNQCLSA-N 1 0 345.440 -1.072 20 0 EAADRO CCOCC(=O)NCCN(CCO)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001057643708 672749612 /nfs/dbraw/zinc/74/96/12/672749612.db2.gz IPODQSJDZUWKHV-CQSZACIVSA-N 1 0 345.440 -1.072 20 0 EAADRO COCCC(=O)NCCN(CCO)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001057643947 672749567 /nfs/dbraw/zinc/74/95/67/672749567.db2.gz RFAGIMCHYKLRKF-AWEZNQCLSA-N 1 0 345.440 -1.072 20 0 EAADRO COCCC(=O)NCCN(CCO)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001057643948 672749865 /nfs/dbraw/zinc/74/98/65/672749865.db2.gz RFAGIMCHYKLRKF-CQSZACIVSA-N 1 0 345.440 -1.072 20 0 EAADRO COCC(=O)NCCN(CCO)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001057644075 672749702 /nfs/dbraw/zinc/74/97/02/672749702.db2.gz XMTSCGBOGXAUDU-CYBMUJFWSA-N 1 0 331.413 -1.462 20 0 EAADRO COCC(=O)NCCN(CCO)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001057644076 672749583 /nfs/dbraw/zinc/74/95/83/672749583.db2.gz XMTSCGBOGXAUDU-ZDUSSCGKSA-N 1 0 331.413 -1.462 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001057646517 672751088 /nfs/dbraw/zinc/75/10/88/672751088.db2.gz WCZIQFKIWZUBSE-UHFFFAOYSA-N 1 0 339.396 -1.384 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)CCC[NH+]1CCCCC1 ZINC001057656361 672754728 /nfs/dbraw/zinc/75/47/28/672754728.db2.gz USHCKUQBNPWLMP-UHFFFAOYSA-N 1 0 328.413 -1.325 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CCN1CCCC1=O ZINC001057656413 672754867 /nfs/dbraw/zinc/75/48/67/672754867.db2.gz WXQSMDDXOGYCTP-UHFFFAOYSA-N 1 0 342.440 -1.112 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CN1CCCC1=O ZINC001057657507 672755206 /nfs/dbraw/zinc/75/52/06/672755206.db2.gz AWPRQNCCQVXZRW-UHFFFAOYSA-N 1 0 342.440 -1.112 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H](C)NC(C)=O ZINC001057657621 672755495 /nfs/dbraw/zinc/75/54/95/672755495.db2.gz HHIOKQCTYFOLFB-GFCCVEGCSA-N 1 0 330.429 -1.210 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H](C)NC(C)=O ZINC001057657622 672755471 /nfs/dbraw/zinc/75/54/71/672755471.db2.gz HHIOKQCTYFOLFB-LBPRGKRZSA-N 1 0 330.429 -1.210 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)Cn1cnnn1 ZINC001057657844 672756253 /nfs/dbraw/zinc/75/62/53/672756253.db2.gz QLKALOURYUKNTL-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO CNS(=O)(=O)CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057657995 672756307 /nfs/dbraw/zinc/75/63/07/672756307.db2.gz XDIDXTUJUPBQFV-UHFFFAOYSA-N 1 0 338.430 -2.576 20 0 EAADRO CNS(=O)(=O)CC(=O)N(CCO)CCNC(=O)Cc1c[nH]cn1 ZINC001057658055 672756220 /nfs/dbraw/zinc/75/62/20/672756220.db2.gz ZMBCYXCNHHIJKU-UHFFFAOYSA-N 1 0 347.397 -2.562 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001057658582 672756237 /nfs/dbraw/zinc/75/62/37/672756237.db2.gz AMVIWSUJVQEKSP-GFCCVEGCSA-N 1 0 345.444 -1.288 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@H](C)NC(N)=O ZINC001057658583 672756267 /nfs/dbraw/zinc/75/62/67/672756267.db2.gz AMVIWSUJVQEKSP-LBPRGKRZSA-N 1 0 345.444 -1.288 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@H]1CCNC1=O ZINC001057658585 672756721 /nfs/dbraw/zinc/75/67/21/672756721.db2.gz AOYGPKGGJVXGLR-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CCNC1=O ZINC001057658586 672756595 /nfs/dbraw/zinc/75/65/95/672756595.db2.gz AOYGPKGGJVXGLR-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCn1cnnn1 ZINC001057658609 672756665 /nfs/dbraw/zinc/75/66/65/672756665.db2.gz BLPFKLJSRYYFRQ-UHFFFAOYSA-N 1 0 341.416 -1.658 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1(NC(N)=O)CC1 ZINC001057658610 672756820 /nfs/dbraw/zinc/75/68/20/672756820.db2.gz BMQNVJBELUDGQU-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001057658612 672756302 /nfs/dbraw/zinc/75/63/02/672756302.db2.gz BOEKZMFNHZKBPI-UHFFFAOYSA-N 1 0 326.401 -1.443 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001057658627 672756780 /nfs/dbraw/zinc/75/67/80/672756780.db2.gz BYUZHEOXRYCPLH-UHFFFAOYSA-N 1 0 340.428 -1.065 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H](COC)OC ZINC001057658632 672756698 /nfs/dbraw/zinc/75/66/98/672756698.db2.gz CCUGLUSVZOWNCB-CYBMUJFWSA-N 1 0 333.429 -1.073 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H](COC)OC ZINC001057658633 672756800 /nfs/dbraw/zinc/75/68/00/672756800.db2.gz CCUGLUSVZOWNCB-ZDUSSCGKSA-N 1 0 333.429 -1.073 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001057658648 672756791 /nfs/dbraw/zinc/75/67/91/672756791.db2.gz CQJCWLQUUAVLFT-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CN1CN=NC1=O ZINC001057658654 672756907 /nfs/dbraw/zinc/75/69/07/672756907.db2.gz CTGARBQZFWVDQP-UHFFFAOYSA-N 1 0 342.400 -1.737 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001057658840 672756678 /nfs/dbraw/zinc/75/66/78/672756678.db2.gz FDLXIZPCYPXYDN-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)COCCOC ZINC001057658842 672756866 /nfs/dbraw/zinc/75/68/66/672756866.db2.gz FEIZQUMQLJAZNY-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H](C)NC(N)=O ZINC001057658846 672756826 /nfs/dbraw/zinc/75/68/26/672756826.db2.gz FGQBYKCLPGYZBP-NSHDSACASA-N 1 0 331.417 -1.678 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCNC1=O ZINC001057658853 672756725 /nfs/dbraw/zinc/75/67/25/672756725.db2.gz FLKVESBZRNBCFE-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCCNC1=O ZINC001057658854 672756870 /nfs/dbraw/zinc/75/68/70/672756870.db2.gz FLKVESBZRNBCFE-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCn1ccnn1 ZINC001057658855 672756616 /nfs/dbraw/zinc/75/66/16/672756616.db2.gz FNZJXMXRXKHXJM-UHFFFAOYSA-N 1 0 340.428 -1.053 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001057658866 672756795 /nfs/dbraw/zinc/75/67/95/672756795.db2.gz FYNUTRDIHMYRAI-GFCCVEGCSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001057658867 672756718 /nfs/dbraw/zinc/75/67/18/672756718.db2.gz FYNUTRDIHMYRAI-LBPRGKRZSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001057658897 672756628 /nfs/dbraw/zinc/75/66/28/672756628.db2.gz HEOZFZJOLAFARQ-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001057658900 672756765 /nfs/dbraw/zinc/75/67/65/672756765.db2.gz HEOZFZJOLAFARQ-CQSZACIVSA-N 1 0 344.456 -1.404 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[NH+](CC)CC ZINC001057659028 672756852 /nfs/dbraw/zinc/75/68/52/672756852.db2.gz IDRPBLLHSCGFEE-UHFFFAOYSA-N 1 0 330.429 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 ZINC001057659052 672756885 /nfs/dbraw/zinc/75/68/85/672756885.db2.gz IXPWKFCWCJDWKB-CYBMUJFWSA-N 1 0 331.413 -1.319 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 ZINC001057659053 672756812 /nfs/dbraw/zinc/75/68/12/672756812.db2.gz IXPWKFCWCJDWKB-ZDUSSCGKSA-N 1 0 331.413 -1.319 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC001057659064 672756639 /nfs/dbraw/zinc/75/66/39/672756639.db2.gz JLANOEWYROBXJN-UHFFFAOYSA-N 1 0 328.413 -1.469 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CN1CCOCC1 ZINC001057659076 672756610 /nfs/dbraw/zinc/75/66/10/672756610.db2.gz KAGJYROYGZOIPH-UHFFFAOYSA-N 1 0 344.456 -1.403 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1CS(=O)(=O)C1 ZINC001057659083 672756622 /nfs/dbraw/zinc/75/66/22/672756622.db2.gz KEOMYMZGSIFILY-UHFFFAOYSA-N 1 0 349.453 -1.690 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1(C(=O)NC)CC1 ZINC001057659129 672756687 /nfs/dbraw/zinc/75/66/87/672756687.db2.gz LHVKHYXCWVJCTJ-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001057659150 672756749 /nfs/dbraw/zinc/75/67/49/672756749.db2.gz LNQSJLQKRXIEIE-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001057659152 672756728 /nfs/dbraw/zinc/75/67/28/672756728.db2.gz LNQSJLQKRXIEIE-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1nccnc1N ZINC001057659155 672756738 /nfs/dbraw/zinc/75/67/38/672756738.db2.gz LSIPDXGBZYACMF-UHFFFAOYSA-N 1 0 338.412 -1.049 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC001057659227 672756915 /nfs/dbraw/zinc/75/69/15/672756915.db2.gz MBLJLVUCZLVBGK-LLVKDONJSA-N 1 0 330.385 -1.626 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001057659228 672756577 /nfs/dbraw/zinc/75/65/77/672756577.db2.gz MBLJLVUCZLVBGK-NSHDSACASA-N 1 0 330.385 -1.626 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1cc(=O)n(C)o1 ZINC001057659235 672756692 /nfs/dbraw/zinc/75/66/92/672756692.db2.gz MKOUTSAGRKAPKO-UHFFFAOYSA-N 1 0 342.396 -1.129 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CN(C)C(C)=O ZINC001057659237 672756702 /nfs/dbraw/zinc/75/67/02/672756702.db2.gz MLZSTQHSNYJLAN-UHFFFAOYSA-N 1 0 330.429 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1cnnn1C ZINC001057659249 672756745 /nfs/dbraw/zinc/75/67/45/672756745.db2.gz NDLKFHJYFCIJRI-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N ZINC001057659258 672756896 /nfs/dbraw/zinc/75/68/96/672756896.db2.gz NJKNRYWHMBVKQX-UHFFFAOYSA-N 1 0 340.428 -1.105 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O ZINC001057659283 672756734 /nfs/dbraw/zinc/75/67/34/672756734.db2.gz ODROSLZDPVMDGN-UHFFFAOYSA-N 1 0 330.429 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1COCCN1C ZINC001057659337 672756651 /nfs/dbraw/zinc/75/66/51/672756651.db2.gz OYIOVKUAQLPZLL-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1COCCN1C ZINC001057659339 672756730 /nfs/dbraw/zinc/75/67/30/672756730.db2.gz OYIOVKUAQLPZLL-CQSZACIVSA-N 1 0 344.456 -1.404 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 ZINC001057659434 672756714 /nfs/dbraw/zinc/75/67/14/672756714.db2.gz PCYHXUHMHGWUPV-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001057659438 672756657 /nfs/dbraw/zinc/75/66/57/672756657.db2.gz PHFMLILTVOAXRO-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001057659439 672756723 /nfs/dbraw/zinc/75/67/23/672756723.db2.gz PHFMLILTVOAXRO-ZDUSSCGKSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCNC(=O)NC ZINC001057659455 672756847 /nfs/dbraw/zinc/75/68/47/672756847.db2.gz PYYKFHVVTFTJMF-UHFFFAOYSA-N 1 0 345.444 -1.416 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)C[NH+](CC)CC ZINC001057659516 672756786 /nfs/dbraw/zinc/75/67/86/672756786.db2.gz RXMSRMNRQSYRAZ-UHFFFAOYSA-N 1 0 330.429 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C(=O)NCC1CC1 ZINC001057659518 672756752 /nfs/dbraw/zinc/75/67/52/672756752.db2.gz RYHUQMDWQDQALW-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CNC(=O)C1CC1 ZINC001057659519 672756741 /nfs/dbraw/zinc/75/67/41/672756741.db2.gz RZFQPLULKBYRKN-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001057659679 672756875 /nfs/dbraw/zinc/75/68/75/672756875.db2.gz UPUJUKAYUGCDIW-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@]1(C)CCNC1=O ZINC001057659680 672756644 /nfs/dbraw/zinc/75/66/44/672756644.db2.gz UPUJUKAYUGCDIW-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCn1cncn1 ZINC001057659712 672756585 /nfs/dbraw/zinc/75/65/85/672756585.db2.gz WEZAOALFSRMZOA-UHFFFAOYSA-N 1 0 340.428 -1.053 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)Cn1ncnn1 ZINC001057659720 672756832 /nfs/dbraw/zinc/75/68/32/672756832.db2.gz WOTZCLPIQNWOTI-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1CN(C(C)=O)C1 ZINC001057659741 672756603 /nfs/dbraw/zinc/75/66/03/672756603.db2.gz XSLTXJPDWYNVKJ-UHFFFAOYSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001057659744 672756776 /nfs/dbraw/zinc/75/67/76/672756776.db2.gz XVOPJXJMCCKRSR-LLVKDONJSA-N 1 0 329.401 -2.053 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001057659745 672756756 /nfs/dbraw/zinc/75/67/56/672756756.db2.gz XVOPJXJMCCKRSR-NSHDSACASA-N 1 0 329.401 -2.053 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 ZINC001057659747 672756761 /nfs/dbraw/zinc/75/67/61/672756761.db2.gz XWQNWXIFAHAVRH-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CNC(=O)OC ZINC001057659754 672756840 /nfs/dbraw/zinc/75/68/40/672756840.db2.gz YEYLUSXEJZVLTO-UHFFFAOYSA-N 1 0 332.401 -1.379 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001057659770 672757272 /nfs/dbraw/zinc/75/72/72/672757272.db2.gz YSKKVWYEJKQJIB-UHFFFAOYSA-N 1 0 339.396 -1.338 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 ZINC001057659781 672757171 /nfs/dbraw/zinc/75/71/71/672757171.db2.gz ZCDNLPGHXCVHKW-UHFFFAOYSA-N 1 0 326.401 -1.374 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 ZINC001057659785 672757150 /nfs/dbraw/zinc/75/71/50/672757150.db2.gz ZHNJXRDVUYYRHO-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001057660678 672757292 /nfs/dbraw/zinc/75/72/92/672757292.db2.gz BJVMSWNDECQESQ-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001057660680 672757121 /nfs/dbraw/zinc/75/71/21/672757121.db2.gz BJVMSWNDECQESQ-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O ZINC001057660690 672757310 /nfs/dbraw/zinc/75/73/10/672757310.db2.gz BWMHIVDSHSBEDY-GFCCVEGCSA-N 1 0 330.429 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O ZINC001057660692 672757231 /nfs/dbraw/zinc/75/72/31/672757231.db2.gz BWMHIVDSHSBEDY-LBPRGKRZSA-N 1 0 330.429 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCCC(N)=O ZINC001057660705 672757317 /nfs/dbraw/zinc/75/73/17/672757317.db2.gz CCKMNHNYMYCKFM-UHFFFAOYSA-N 1 0 330.429 -1.079 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001057660772 672757387 /nfs/dbraw/zinc/75/73/87/672757387.db2.gz FPIVHRQSDRERPC-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001057660774 672757335 /nfs/dbraw/zinc/75/73/35/672757335.db2.gz FPIVHRQSDRERPC-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CNC(=O)NC ZINC001057660850 672757348 /nfs/dbraw/zinc/75/73/48/672757348.db2.gz IAAZWQZZRSGEKH-UHFFFAOYSA-N 1 0 331.417 -1.806 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 ZINC001057661103 672757329 /nfs/dbraw/zinc/75/73/29/672757329.db2.gz KHMSVYUIQDVHJK-UHFFFAOYSA-N 1 0 327.389 -1.897 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001057661110 672757192 /nfs/dbraw/zinc/75/71/92/672757192.db2.gz KKPWWSMBIDVWAJ-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001057661111 672757223 /nfs/dbraw/zinc/75/72/23/672757223.db2.gz KKPWWSMBIDVWAJ-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001057661121 672757183 /nfs/dbraw/zinc/75/71/83/672757183.db2.gz KZRPKJPWVKIHKL-GFCCVEGCSA-N 1 0 343.428 -1.711 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001057661122 672757414 /nfs/dbraw/zinc/75/74/14/672757414.db2.gz KZRPKJPWVKIHKL-LBPRGKRZSA-N 1 0 343.428 -1.711 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001057661132 672757281 /nfs/dbraw/zinc/75/72/81/672757281.db2.gz LPCGXWRTIXGONL-CHWSQXEVSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001057661133 672757260 /nfs/dbraw/zinc/75/72/60/672757260.db2.gz LPCGXWRTIXGONL-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001057661134 672757407 /nfs/dbraw/zinc/75/74/07/672757407.db2.gz LPCGXWRTIXGONL-QWHCGFSZSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001057661135 672757076 /nfs/dbraw/zinc/75/70/76/672757076.db2.gz LPCGXWRTIXGONL-STQMWFEESA-N 1 0 342.440 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001057661148 672757253 /nfs/dbraw/zinc/75/72/53/672757253.db2.gz LUGAISKKAIBYAC-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001057661149 672757247 /nfs/dbraw/zinc/75/72/47/672757247.db2.gz LUGAISKKAIBYAC-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCNC(N)=O ZINC001057661247 672757092 /nfs/dbraw/zinc/75/70/92/672757092.db2.gz NXHVOXSJZBSCID-UHFFFAOYSA-N 1 0 331.417 -1.676 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001057661259 672757425 /nfs/dbraw/zinc/75/74/25/672757425.db2.gz OFUMRSPTYWWYTD-UHFFFAOYSA-N 1 0 326.401 -1.443 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CC(=O)N(C)C ZINC001057661428 672757205 /nfs/dbraw/zinc/75/72/05/672757205.db2.gz RWCCBXPLLFLCRW-UHFFFAOYSA-N 1 0 330.429 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001057661445 672757242 /nfs/dbraw/zinc/75/72/42/672757242.db2.gz SITQSPQWJLGKTH-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001057661447 672757114 /nfs/dbraw/zinc/75/71/14/672757114.db2.gz SITQSPQWJLGKTH-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001057661450 672757364 /nfs/dbraw/zinc/75/73/64/672757364.db2.gz SKPPIEXGCXXXFP-NEPJUHHUSA-N 1 0 328.413 -1.613 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001057661616 672757164 /nfs/dbraw/zinc/75/71/64/672757164.db2.gz YQOQKEGKTAIDKR-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001057661617 672757265 /nfs/dbraw/zinc/75/72/65/672757265.db2.gz YQOQKEGKTAIDKR-ZDUSSCGKSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(C)(C(=O)N(CCO)CCNC(=O)C(N)=O)[NH+]1CCCCC1 ZINC001057666150 672758188 /nfs/dbraw/zinc/75/81/88/672758188.db2.gz LVDURQSQODXZJK-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057671270 672758868 /nfs/dbraw/zinc/75/88/68/672758868.db2.gz AVLYYQRNEOZDCE-UHFFFAOYSA-N 1 0 341.416 -1.658 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057671511 672759270 /nfs/dbraw/zinc/75/92/70/672759270.db2.gz HSGCMSXRHRRLGZ-UHFFFAOYSA-N 1 0 343.388 -2.812 20 0 EAADRO O=C(Cn1ncnn1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057671529 672759051 /nfs/dbraw/zinc/75/90/51/672759051.db2.gz IMOBKAUXOHNOTF-UHFFFAOYSA-N 1 0 337.384 -2.294 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)Cn1ncnn1)[NH+](C)C ZINC001057671553 672759165 /nfs/dbraw/zinc/75/91/65/672759165.db2.gz JJVAAAUDINNCCY-LLVKDONJSA-N 1 0 327.389 -2.050 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn1ncnn1)[NH+](C)C ZINC001057671554 672759205 /nfs/dbraw/zinc/75/92/05/672759205.db2.gz JJVAAAUDINNCCY-NSHDSACASA-N 1 0 327.389 -2.050 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)Cn2ncnn2)C1 ZINC001057672116 672759835 /nfs/dbraw/zinc/75/98/35/672759835.db2.gz SMHSIFALACMDCE-GFCCVEGCSA-N 1 0 339.400 -2.048 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)Cn2ncnn2)C1 ZINC001057672117 672759896 /nfs/dbraw/zinc/75/98/96/672759896.db2.gz SMHSIFALACMDCE-LBPRGKRZSA-N 1 0 339.400 -2.048 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057672199 672759925 /nfs/dbraw/zinc/75/99/25/672759925.db2.gz VVCQTVFDZWGXPS-LLVKDONJSA-N 1 0 325.373 -2.296 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057672200 672759807 /nfs/dbraw/zinc/75/98/07/672759807.db2.gz VVCQTVFDZWGXPS-NSHDSACASA-N 1 0 325.373 -2.296 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)Cn2ncnn2)C1 ZINC001057673424 672760499 /nfs/dbraw/zinc/76/04/99/672760499.db2.gz BDBWHCXWVILJFI-GFCCVEGCSA-N 1 0 339.400 -2.048 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)Cn2ncnn2)C1 ZINC001057673425 672760457 /nfs/dbraw/zinc/76/04/57/672760457.db2.gz BDBWHCXWVILJFI-LBPRGKRZSA-N 1 0 339.400 -2.048 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673433 672760556 /nfs/dbraw/zinc/76/05/56/672760556.db2.gz BNNOJSWPOHZKAI-UHFFFAOYSA-N 1 0 327.389 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673463 672760454 /nfs/dbraw/zinc/76/04/54/672760454.db2.gz CVPHXHSRSYNYNX-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673480 672760129 /nfs/dbraw/zinc/76/01/29/672760129.db2.gz DMPXBQHETNHFNM-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)Cn2ncnn2)CC1 ZINC001057673518 672760442 /nfs/dbraw/zinc/76/04/42/672760442.db2.gz FSUHHUPNJVUNEP-UHFFFAOYSA-N 1 0 339.400 -2.048 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673552 672760874 /nfs/dbraw/zinc/76/08/74/672760874.db2.gz HHYGLUKYFLTMHA-GFCCVEGCSA-N 1 0 339.400 -1.906 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673553 672760970 /nfs/dbraw/zinc/76/09/70/672760970.db2.gz HHYGLUKYFLTMHA-LBPRGKRZSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673571 672760990 /nfs/dbraw/zinc/76/09/90/672760990.db2.gz IEKGLFLGFCLUNX-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673592 672760892 /nfs/dbraw/zinc/76/08/92/672760892.db2.gz JBLIRYIIZAFKAO-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673643 672760845 /nfs/dbraw/zinc/76/08/45/672760845.db2.gz KOEXTRYIIHEFMF-UHFFFAOYSA-N 1 0 341.416 -1.660 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673646 672760982 /nfs/dbraw/zinc/76/09/82/672760982.db2.gz KOYZJBASLWTABZ-UHFFFAOYSA-N 1 0 325.373 -2.294 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)Cn2ncnn2)CCC1 ZINC001057673658 672760857 /nfs/dbraw/zinc/76/08/57/672760857.db2.gz LCXZDCOZBYRYIC-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)Cn2ncnn2)CC[N@@H+]1C ZINC001057673771 672761278 /nfs/dbraw/zinc/76/12/78/672761278.db2.gz PJZPCXBMOQIFBI-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn2ncnn2)C1 ZINC001057673873 672761605 /nfs/dbraw/zinc/76/16/05/672761605.db2.gz TZLRACIWNLSZKB-LLVKDONJSA-N 1 0 325.373 -2.438 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cn2ncnn2)C1 ZINC001057673874 672761589 /nfs/dbraw/zinc/76/15/89/672761589.db2.gz TZLRACIWNLSZKB-NSHDSACASA-N 1 0 325.373 -2.438 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673915 672761603 /nfs/dbraw/zinc/76/16/03/672761603.db2.gz VTCLYYLIVPSVMM-UHFFFAOYSA-N 1 0 341.416 -1.658 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673932 672761583 /nfs/dbraw/zinc/76/15/83/672761583.db2.gz WMQOSEPIAJCYNS-NEPJUHHUSA-N 1 0 339.400 -2.192 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673933 672761619 /nfs/dbraw/zinc/76/16/19/672761619.db2.gz WMQOSEPIAJCYNS-NWDGAFQWSA-N 1 0 339.400 -2.192 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673934 672761625 /nfs/dbraw/zinc/76/16/25/672761625.db2.gz WMQOSEPIAJCYNS-RYUDHWBXSA-N 1 0 339.400 -2.192 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057673935 672761569 /nfs/dbraw/zinc/76/15/69/672761569.db2.gz WMQOSEPIAJCYNS-VXGBXAGGSA-N 1 0 339.400 -2.192 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)Cn1ncnn1)[NH+](C)C ZINC001057673967 672762037 /nfs/dbraw/zinc/76/20/37/672762037.db2.gz XNZVNOBBFJYICA-CYBMUJFWSA-N 1 0 341.416 -1.804 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)Cn1ncnn1)[NH+](C)C ZINC001057673968 672762035 /nfs/dbraw/zinc/76/20/35/672762035.db2.gz XNZVNOBBFJYICA-ZDUSSCGKSA-N 1 0 341.416 -1.804 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)Cn1ncnn1)C1CC1 ZINC001057673974 672762022 /nfs/dbraw/zinc/76/20/22/672762022.db2.gz XRCBEJCPJRITEC-CYBMUJFWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)Cn1ncnn1)C1CC1 ZINC001057673975 672761901 /nfs/dbraw/zinc/76/19/01/672761901.db2.gz XRCBEJCPJRITEC-ZDUSSCGKSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)Cn2ncnn2)CC1 ZINC001057673982 672761957 /nfs/dbraw/zinc/76/19/57/672761957.db2.gz XVRGRPYSLVMQBM-UHFFFAOYSA-N 1 0 339.400 -2.048 20 0 EAADRO NC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001057675016 672762393 /nfs/dbraw/zinc/76/23/93/672762393.db2.gz HUSVYYLDQYSPRM-GFCCVEGCSA-N 1 0 341.412 -2.066 20 0 EAADRO NC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001057675017 672762397 /nfs/dbraw/zinc/76/23/97/672762397.db2.gz HUSVYYLDQYSPRM-LBPRGKRZSA-N 1 0 341.412 -2.066 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001057675276 672762309 /nfs/dbraw/zinc/76/23/09/672762309.db2.gz NNATXVLENKXEAZ-AWEZNQCLSA-N 1 0 340.424 -1.599 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001057675277 672762273 /nfs/dbraw/zinc/76/22/73/672762273.db2.gz NNATXVLENKXEAZ-CQSZACIVSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057675283 672762324 /nfs/dbraw/zinc/76/23/24/672762324.db2.gz NXMPYKXCWQNFEH-GFCCVEGCSA-N 1 0 339.400 -1.906 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001057675284 672762359 /nfs/dbraw/zinc/76/23/59/672762359.db2.gz NXMPYKXCWQNFEH-LBPRGKRZSA-N 1 0 339.400 -1.906 20 0 EAADRO COc1cc(C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)ncn1 ZINC001057675302 672762300 /nfs/dbraw/zinc/76/23/00/672762300.db2.gz OUTSHULNODFWMW-UHFFFAOYSA-N 1 0 339.396 -1.012 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)Cn1ncnn1)C1CCC1 ZINC001057675414 672762700 /nfs/dbraw/zinc/76/27/00/672762700.db2.gz SPWVRCJUFXUAOZ-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnon1 ZINC001057676702 672763043 /nfs/dbraw/zinc/76/30/43/672763043.db2.gz KQKSOUUUIUAKRK-GFCCVEGCSA-N 1 0 337.380 -1.038 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2)c1cnon1 ZINC001057676703 672763018 /nfs/dbraw/zinc/76/30/18/672763018.db2.gz KQKSOUUUIUAKRK-LBPRGKRZSA-N 1 0 337.380 -1.038 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2)c1cn[nH]n1 ZINC001057676898 672763032 /nfs/dbraw/zinc/76/30/32/672763032.db2.gz UDCWZOHYMXTATC-GFCCVEGCSA-N 1 0 336.396 -1.303 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2)c1cn[nH]n1 ZINC001057676899 672762998 /nfs/dbraw/zinc/76/29/98/672762998.db2.gz UDCWZOHYMXTATC-LBPRGKRZSA-N 1 0 336.396 -1.303 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2)c1nnc[nH]1 ZINC001057676924 672763064 /nfs/dbraw/zinc/76/30/64/672763064.db2.gz WFNYSIHQYDAEDY-GFCCVEGCSA-N 1 0 336.396 -1.303 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2)c1nnc[nH]1 ZINC001057676925 672763014 /nfs/dbraw/zinc/76/30/14/672763014.db2.gz WFNYSIHQYDAEDY-LBPRGKRZSA-N 1 0 336.396 -1.303 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001057676946 672763085 /nfs/dbraw/zinc/76/30/85/672763085.db2.gz YQVWDIZBECDPEP-CYBMUJFWSA-N 1 0 340.424 -1.599 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001057676947 672763003 /nfs/dbraw/zinc/76/30/03/672763003.db2.gz YQVWDIZBECDPEP-ZDUSSCGKSA-N 1 0 340.424 -1.599 20 0 EAADRO NC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001057676948 672763090 /nfs/dbraw/zinc/76/30/90/672763090.db2.gz YXEIOMJSNRYFPN-GFCCVEGCSA-N 1 0 326.397 -1.859 20 0 EAADRO NC(=O)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001057676949 672763112 /nfs/dbraw/zinc/76/31/12/672763112.db2.gz YXEIOMJSNRYFPN-LBPRGKRZSA-N 1 0 326.397 -1.859 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057683070 672764976 /nfs/dbraw/zinc/76/49/76/672764976.db2.gz IAQXBHHTVLFCOL-UHFFFAOYSA-N 1 0 349.453 -1.690 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057684173 672765407 /nfs/dbraw/zinc/76/54/07/672765407.db2.gz VFQGORZVCUZJIC-GFCCVEGCSA-N 1 0 347.437 -1.938 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057684174 672765305 /nfs/dbraw/zinc/76/53/05/672765305.db2.gz VFQGORZVCUZJIC-LBPRGKRZSA-N 1 0 347.437 -1.938 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057684203 672765454 /nfs/dbraw/zinc/76/54/54/672765454.db2.gz VXYKWCWUUYOJSS-UHFFFAOYSA-N 1 0 349.453 -1.690 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057684213 672765284 /nfs/dbraw/zinc/76/52/84/672765284.db2.gz WCULATCEAZHQDZ-UHFFFAOYSA-N 1 0 349.453 -1.690 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1)[NH+](C)C ZINC001057684445 672765436 /nfs/dbraw/zinc/76/54/36/672765436.db2.gz YPQBHAXVGVSXNJ-GFCCVEGCSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1)[NH+](C)C ZINC001057684447 672765371 /nfs/dbraw/zinc/76/53/71/672765371.db2.gz YPQBHAXVGVSXNJ-LBPRGKRZSA-N 1 0 349.453 -1.692 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C2CS(=O)(=O)C2)C1 ZINC001057685108 672765850 /nfs/dbraw/zinc/76/58/50/672765850.db2.gz FDPDROAZVHDJRS-LLVKDONJSA-N 1 0 347.437 -2.080 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C2CS(=O)(=O)C2)C1 ZINC001057685109 672765770 /nfs/dbraw/zinc/76/57/70/672765770.db2.gz FDPDROAZVHDJRS-NSHDSACASA-N 1 0 347.437 -2.080 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057686048 672766080 /nfs/dbraw/zinc/76/60/80/672766080.db2.gz SAEOIWXBEKFUEA-UHFFFAOYSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057686191 672766190 /nfs/dbraw/zinc/76/61/90/672766190.db2.gz UBEVJLAWFQXJMR-UHFFFAOYSA-N 1 0 349.453 -1.690 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057686430 672766271 /nfs/dbraw/zinc/76/62/71/672766271.db2.gz ZAKLZLPHDKLZNX-UHFFFAOYSA-N 1 0 335.426 -2.080 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001057686438 672766168 /nfs/dbraw/zinc/76/61/68/672766168.db2.gz ZDIOUNPQZQFSPC-UHFFFAOYSA-N 1 0 347.437 -1.936 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)c1cccn2nnnc12 ZINC001057692724 672767456 /nfs/dbraw/zinc/76/74/56/672767456.db2.gz RICVCTWCLYSBRK-UHFFFAOYSA-N 1 0 349.395 -1.373 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700387 672769681 /nfs/dbraw/zinc/76/96/81/672769681.db2.gz AROZNRBMGZUBLG-UHFFFAOYSA-N 1 0 326.401 -1.443 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700395 672769702 /nfs/dbraw/zinc/76/97/02/672769702.db2.gz AXKQYWYWIQEIJO-UHFFFAOYSA-N 1 0 340.428 -1.053 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)Cn2nccn2)C1 ZINC001057700489 672770101 /nfs/dbraw/zinc/77/01/01/672770101.db2.gz FONGKFATZHRYPW-CYBMUJFWSA-N 1 0 338.412 -1.443 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)Cn2nccn2)C1 ZINC001057700490 672770134 /nfs/dbraw/zinc/77/01/34/672770134.db2.gz FONGKFATZHRYPW-ZDUSSCGKSA-N 1 0 338.412 -1.443 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)Cn2nccn2)C1 ZINC001057700512 672769981 /nfs/dbraw/zinc/76/99/81/672769981.db2.gz GOWWCRORDBXTDK-CYBMUJFWSA-N 1 0 338.412 -1.443 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)Cn2nccn2)C1 ZINC001057700513 672770018 /nfs/dbraw/zinc/77/00/18/672770018.db2.gz GOWWCRORDBXTDK-ZDUSSCGKSA-N 1 0 338.412 -1.443 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)Cn2nccn2)CC1 ZINC001057700522 672770162 /nfs/dbraw/zinc/77/01/62/672770162.db2.gz HFNXTTHNAMOTOG-UHFFFAOYSA-N 1 0 338.412 -1.443 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700524 672769956 /nfs/dbraw/zinc/76/99/56/672769956.db2.gz HGNLHXSRFDTPGT-UHFFFAOYSA-N 1 0 340.428 -1.053 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)Cn1nccn1)[NH+](C)C ZINC001057700527 672770155 /nfs/dbraw/zinc/77/01/55/672770155.db2.gz HGVKVECGORWWMJ-AWEZNQCLSA-N 1 0 340.428 -1.199 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)Cn1nccn1)[NH+](C)C ZINC001057700528 672770035 /nfs/dbraw/zinc/77/00/35/672770035.db2.gz HGVKVECGORWWMJ-CQSZACIVSA-N 1 0 340.428 -1.199 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700663 672770112 /nfs/dbraw/zinc/77/01/12/672770112.db2.gz LPIUTQMFCBTXMZ-UHFFFAOYSA-N 1 0 326.401 -1.443 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700810 672770353 /nfs/dbraw/zinc/77/03/53/672770353.db2.gz NYWXEDDICXVBJA-UHFFFAOYSA-N 1 0 340.428 -1.055 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700883 672770383 /nfs/dbraw/zinc/77/03/83/672770383.db2.gz PQPYKZLMIQYLSI-UHFFFAOYSA-N 1 0 326.401 -1.443 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700947 672770502 /nfs/dbraw/zinc/77/05/02/672770502.db2.gz RZQVRQNDSXXWHG-CHWSQXEVSA-N 1 0 338.412 -1.587 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700956 672770518 /nfs/dbraw/zinc/77/05/18/672770518.db2.gz RZQVRQNDSXXWHG-OLZOCXBDSA-N 1 0 338.412 -1.587 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700957 672770362 /nfs/dbraw/zinc/77/03/62/672770362.db2.gz RZQVRQNDSXXWHG-QWHCGFSZSA-N 1 0 338.412 -1.587 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057700958 672770535 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C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)Cn2nccn2)CCC1 ZINC001057701241 672770815 /nfs/dbraw/zinc/77/08/15/672770815.db2.gz XTCXXYLUSTZFOG-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(Cn1nccn1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057701256 672770820 /nfs/dbraw/zinc/77/08/20/672770820.db2.gz YEJWHZOUEORCJP-UHFFFAOYSA-N 1 0 336.396 -1.689 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)Cn2nccn2)CC1 ZINC001057701296 672770812 /nfs/dbraw/zinc/77/08/12/672770812.db2.gz ZCDPEXUTUPKVNI-UHFFFAOYSA-N 1 0 338.412 -1.443 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)Cn2nccn2)CC[N@@H+]1C ZINC001057702210 672771209 /nfs/dbraw/zinc/77/12/09/672771209.db2.gz MHSSJJLFJDYUJO-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057702407 672771627 /nfs/dbraw/zinc/77/16/27/672771627.db2.gz UZMXQPYYOMVUAZ-UHFFFAOYSA-N 1 0 326.401 -1.445 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)Cn1nccn1)C1CCC1 ZINC001057702483 672771694 /nfs/dbraw/zinc/77/16/94/672771694.db2.gz 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ZINC001057873748 672924374 /nfs/dbraw/zinc/92/43/74/672924374.db2.gz KREFVMNTDFORFQ-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)C2([NH+](C)C)CCC2)nn1 ZINC001057873760 672924183 /nfs/dbraw/zinc/92/41/83/672924183.db2.gz KVVBKMHPIFROFQ-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057873763 672924427 /nfs/dbraw/zinc/92/44/27/672924427.db2.gz KXHONBKYBQDRMM-GFCCVEGCSA-N 1 0 328.413 -1.613 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057873764 672924164 /nfs/dbraw/zinc/92/41/64/672924164.db2.gz KXHONBKYBQDRMM-LBPRGKRZSA-N 1 0 328.413 -1.613 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057873842 672924443 /nfs/dbraw/zinc/92/44/43/672924443.db2.gz MNQMCPDYWOEQEH-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@H]2COCCO2)CCC1 ZINC001057873875 672924895 /nfs/dbraw/zinc/92/48/95/672924895.db2.gz NCZIFWFWTJGAQZ-CYBMUJFWSA-N 1 0 343.424 -1.177 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2COCCO2)CCC1 ZINC001057873876 672924937 /nfs/dbraw/zinc/92/49/37/672924937.db2.gz NCZIFWFWTJGAQZ-ZDUSSCGKSA-N 1 0 343.424 -1.177 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)C2([NH+](C)C)CCC2)n1 ZINC001057873926 672924626 /nfs/dbraw/zinc/92/46/26/672924626.db2.gz ORURFBRFLLMZHW-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057873927 672924944 /nfs/dbraw/zinc/92/49/44/672924944.db2.gz OTQHTBMIHDCYGI-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@H]2COC(=O)N2)CCC1 ZINC001057874009 672924812 /nfs/dbraw/zinc/92/48/12/672924812.db2.gz RXTQMRIKLGTXQW-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001057874010 672924694 /nfs/dbraw/zinc/92/46/94/672924694.db2.gz RXTQMRIKLGTXQW-NSHDSACASA-N 1 0 342.396 -1.484 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057874130 672924651 /nfs/dbraw/zinc/92/46/51/672924651.db2.gz WHSQZEFXRXYEDM-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057874154 672924712 /nfs/dbraw/zinc/92/47/12/672924712.db2.gz XIMUDEDLNQFSIM-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057874155 672924533 /nfs/dbraw/zinc/92/45/33/672924533.db2.gz XMSCXHCDTILTDA-CYBMUJFWSA-N 1 0 342.440 -1.223 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057874156 672924930 /nfs/dbraw/zinc/92/49/30/672924930.db2.gz XMSCXHCDTILTDA-ZDUSSCGKSA-N 1 0 342.440 -1.223 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057874205 672924910 /nfs/dbraw/zinc/92/49/10/672924910.db2.gz YYYNLDHCNUMNCA-UHFFFAOYSA-N 1 0 344.412 -1.236 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)Cc2nc[nH]n2)CCC1 ZINC001057874765 672924790 /nfs/dbraw/zinc/92/47/90/672924790.db2.gz ATNQRIZFZMBDEY-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001057874834 672924898 /nfs/dbraw/zinc/92/48/98/672924898.db2.gz CJRQNXULTDYJSV-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001057874835 672924918 /nfs/dbraw/zinc/92/49/18/672924918.db2.gz CJRQNXULTDYJSV-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)Cn2nccn2)CCC1 ZINC001057874861 672924751 /nfs/dbraw/zinc/92/47/51/672924751.db2.gz CTBYAOFPEZIBJV-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC(=O)N2)CCC1 ZINC001057874926 672924941 /nfs/dbraw/zinc/92/49/41/672924941.db2.gz FXKHUOQGLBQCQP-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 ZINC001057874935 672924882 /nfs/dbraw/zinc/92/48/82/672924882.db2.gz GEPISLHUUHLCHA-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057874946 672924643 /nfs/dbraw/zinc/92/46/43/672924643.db2.gz GMRJITYQWDNGMD-UHFFFAOYSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057874952 672924732 /nfs/dbraw/zinc/92/47/32/672924732.db2.gz GOLOFNCQIFBKHA-GFCCVEGCSA-N 1 0 328.413 -1.328 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057874953 672924820 /nfs/dbraw/zinc/92/48/20/672924820.db2.gz GOLOFNCQIFBKHA-LBPRGKRZSA-N 1 0 328.413 -1.328 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)CCC1 ZINC001057874970 672924702 /nfs/dbraw/zinc/92/47/02/672924702.db2.gz HBMUUVMXABZMKL-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)CCC1 ZINC001057874971 672924574 /nfs/dbraw/zinc/92/45/74/672924574.db2.gz HBMUUVMXABZMKL-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)Cn2ncnn2)CCC1 ZINC001057875119 672924800 /nfs/dbraw/zinc/92/48/00/672924800.db2.gz KXMROJUNAVNIER-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001057875125 672924781 /nfs/dbraw/zinc/92/47/81/672924781.db2.gz LCLODHBDOJSZIY-CYBMUJFWSA-N 1 0 340.424 -1.184 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001057875126 672924921 /nfs/dbraw/zinc/92/49/21/672924921.db2.gz LCLODHBDOJSZIY-ZDUSSCGKSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)CCNC(N)=O)CCC1 ZINC001057875166 672924843 /nfs/dbraw/zinc/92/48/43/672924843.db2.gz LXJRFGNUXOQBGY-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)C2(C(N)=O)CC2)CCC1 ZINC001057875181 672924830 /nfs/dbraw/zinc/92/48/30/672924830.db2.gz MBNWRCHCIKFOKS-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO Cn1ncc(C(=O)NCCN(CCO)C(=O)C2([NH+](C)C)CCC2)n1 ZINC001057875238 672924550 /nfs/dbraw/zinc/92/45/50/672924550.db2.gz NYQXVXNVUTWESP-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)CCC1 ZINC001057875445 672924914 /nfs/dbraw/zinc/92/49/14/672924914.db2.gz VTPWZLDYGPNKKG-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875458 672924892 /nfs/dbraw/zinc/92/48/92/672924892.db2.gz WQFVBZJPEJCKRU-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875468 672924687 /nfs/dbraw/zinc/92/46/87/672924687.db2.gz WYEBMEBUIUJWFU-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875469 672924901 /nfs/dbraw/zinc/92/49/01/672924901.db2.gz WYEBMEBUIUJWFU-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)C2([NH+](C)C)CCC2)n1 ZINC001057875470 672924951 /nfs/dbraw/zinc/92/49/51/672924951.db2.gz XBKOOPXMSSPBHK-UHFFFAOYSA-N 1 0 339.400 -1.755 20 0 EAADRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)Cn2cncn2)CCC1 ZINC001057875488 672924852 /nfs/dbraw/zinc/92/48/52/672924852.db2.gz XRRPYJCZOXUQMX-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001057876081 672924763 /nfs/dbraw/zinc/92/47/63/672924763.db2.gz ANSXKNSXLZZYHA-AGIUHOORSA-N 1 0 340.424 -1.615 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001057876082 672924721 /nfs/dbraw/zinc/92/47/21/672924721.db2.gz ANSXKNSXLZZYHA-FRRDWIJNSA-N 1 0 340.424 -1.615 20 0 EAADRO Cn1nncc1C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876239 672924907 /nfs/dbraw/zinc/92/49/07/672924907.db2.gz FTBCXLZJDYWTEX-CYBMUJFWSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1nncc1C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876240 672924744 /nfs/dbraw/zinc/92/47/44/672924744.db2.gz FTBCXLZJDYWTEX-ZDUSSCGKSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001057876246 672924564 /nfs/dbraw/zinc/92/45/64/672924564.db2.gz FXTRNLDNHPJZJY-CYBMUJFWSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001057876247 672924604 /nfs/dbraw/zinc/92/46/04/672924604.db2.gz FXTRNLDNHPJZJY-ZDUSSCGKSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001057876261 672924584 /nfs/dbraw/zinc/92/45/84/672924584.db2.gz GEVGZJLXTRXMEN-LLVKDONJSA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001057876262 672924904 /nfs/dbraw/zinc/92/49/04/672924904.db2.gz GEVGZJLXTRXMEN-NSHDSACASA-N 1 0 339.400 -1.899 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)Cn1nccn1)C1CC1 ZINC001057876266 672924889 /nfs/dbraw/zinc/92/48/89/672924889.db2.gz GGOLFBJGUYUUMK-AWEZNQCLSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1nccn1)C1CC1 ZINC001057876267 672924934 /nfs/dbraw/zinc/92/49/34/672924934.db2.gz GGOLFBJGUYUUMK-CQSZACIVSA-N 1 0 338.412 -1.445 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876385 672924869 /nfs/dbraw/zinc/92/48/69/672924869.db2.gz IHLQCDQWIJVKGK-HNNXBMFYSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876386 672924676 /nfs/dbraw/zinc/92/46/76/672924676.db2.gz IHLQCDQWIJVKGK-OAHLLOKOSA-N 1 0 342.440 -1.210 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876448 672925423 /nfs/dbraw/zinc/92/54/23/672925423.db2.gz KIKFFCJNHGGQDG-CMPLNLGQSA-N 1 0 343.428 -1.680 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876449 672925278 /nfs/dbraw/zinc/92/52/78/672925278.db2.gz KIKFFCJNHGGQDG-JQWIXIFHSA-N 1 0 343.428 -1.680 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)c1cnon1)C1CC1 ZINC001057876466 672925322 /nfs/dbraw/zinc/92/53/22/672925322.db2.gz KZHIAPAHKUCXNT-GFCCVEGCSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)c1cnon1)C1CC1 ZINC001057876467 672925333 /nfs/dbraw/zinc/92/53/33/672925333.db2.gz KZHIAPAHKUCXNT-LBPRGKRZSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001057876476 672925397 /nfs/dbraw/zinc/92/53/97/672925397.db2.gz LERFHVGWJGTFRC-NEPJUHHUSA-N 1 0 342.396 -1.628 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001057876477 672925327 /nfs/dbraw/zinc/92/53/27/672925327.db2.gz LERFHVGWJGTFRC-NWDGAFQWSA-N 1 0 342.396 -1.628 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001057876478 672925174 /nfs/dbraw/zinc/92/51/74/672925174.db2.gz LERFHVGWJGTFRC-RYUDHWBXSA-N 1 0 342.396 -1.628 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001057876479 672925218 /nfs/dbraw/zinc/92/52/18/672925218.db2.gz LERFHVGWJGTFRC-VXGBXAGGSA-N 1 0 342.396 -1.628 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876508 672925204 /nfs/dbraw/zinc/92/52/04/672925204.db2.gz LQOXFRGEGGDHOK-AWEZNQCLSA-N 1 0 328.413 -1.600 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876509 672925239 /nfs/dbraw/zinc/92/52/39/672925239.db2.gz LQOXFRGEGGDHOK-CQSZACIVSA-N 1 0 328.413 -1.600 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)CCCC(N)=O)C1CC1 ZINC001057876513 672925318 /nfs/dbraw/zinc/92/53/18/672925318.db2.gz LYGXVPAOIDZUCU-HNNXBMFYSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)CCCC(N)=O)C1CC1 ZINC001057876514 672925294 /nfs/dbraw/zinc/92/52/94/672925294.db2.gz LYGXVPAOIDZUCU-OAHLLOKOSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001057876525 672925305 /nfs/dbraw/zinc/92/53/05/672925305.db2.gz MCDZWKLORMWRFG-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001057876526 672925391 /nfs/dbraw/zinc/92/53/91/672925391.db2.gz MCDZWKLORMWRFG-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001057876527 672925156 /nfs/dbraw/zinc/92/51/56/672925156.db2.gz MCDZWKLORMWRFG-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001057876528 672925097 /nfs/dbraw/zinc/92/50/97/672925097.db2.gz MCDZWKLORMWRFG-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001057876547 672925116 /nfs/dbraw/zinc/92/51/16/672925116.db2.gz MMIQYQRRGDBANE-KBPBESRZSA-N 1 0 343.424 -1.321 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1COCCO1)C1CC1 ZINC001057876548 672925382 /nfs/dbraw/zinc/92/53/82/672925382.db2.gz MMIQYQRRGDBANE-KGLIPLIRSA-N 1 0 343.424 -1.321 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001057876549 672925164 /nfs/dbraw/zinc/92/51/64/672925164.db2.gz MMIQYQRRGDBANE-UONOGXRCSA-N 1 0 343.424 -1.321 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1COCCO1)C1CC1 ZINC001057876550 672925416 /nfs/dbraw/zinc/92/54/16/672925416.db2.gz MMIQYQRRGDBANE-ZIAGYGMSSA-N 1 0 343.424 -1.321 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876606 672925408 /nfs/dbraw/zinc/92/54/08/672925408.db2.gz NPEGXMZLHMFYKM-CYBMUJFWSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876607 672925194 /nfs/dbraw/zinc/92/51/94/672925194.db2.gz NPEGXMZLHMFYKM-ZDUSSCGKSA-N 1 0 343.428 -1.807 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)[NH+](C)C)nn1 ZINC001057876627 672925273 /nfs/dbraw/zinc/92/52/73/672925273.db2.gz OEPXGMFVSHWRBX-CYBMUJFWSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)[NH+](C)C)nn1 ZINC001057876628 672925315 /nfs/dbraw/zinc/92/53/15/672925315.db2.gz OEPXGMFVSHWRBX-ZDUSSCGKSA-N 1 0 338.412 -1.294 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876629 672925267 /nfs/dbraw/zinc/92/52/67/672925267.db2.gz OHKOAOAQFVHZSQ-HNNXBMFYSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876630 672925298 /nfs/dbraw/zinc/92/52/98/672925298.db2.gz OHKOAOAQFVHZSQ-OAHLLOKOSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876656 672925386 /nfs/dbraw/zinc/92/53/86/672925386.db2.gz OXPRRCJWKGKDLE-AWEZNQCLSA-N 1 0 328.413 -1.600 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876657 672925137 /nfs/dbraw/zinc/92/51/37/672925137.db2.gz OXPRRCJWKGKDLE-CQSZACIVSA-N 1 0 328.413 -1.600 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1)C1CC1 ZINC001057876743 672925361 /nfs/dbraw/zinc/92/53/61/672925361.db2.gz QSTRTXZYCIJWSK-AWEZNQCLSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1)C1CC1 ZINC001057876744 672925353 /nfs/dbraw/zinc/92/53/53/672925353.db2.gz QSTRTXZYCIJWSK-CQSZACIVSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1cnnn1)C1CC1 ZINC001057876781 672925259 /nfs/dbraw/zinc/92/52/59/672925259.db2.gz RQBQFGCSOYIKSL-CYBMUJFWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)Cn1cnnn1)C1CC1 ZINC001057876782 672925378 /nfs/dbraw/zinc/92/53/78/672925378.db2.gz RQBQFGCSOYIKSL-ZDUSSCGKSA-N 1 0 339.400 -2.050 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876783 672925320 /nfs/dbraw/zinc/92/53/20/672925320.db2.gz RREHFIAQYFVLRB-HNNXBMFYSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876784 672925264 /nfs/dbraw/zinc/92/52/64/672925264.db2.gz RREHFIAQYFVLRB-OAHLLOKOSA-N 1 0 342.440 -1.258 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876791 672925232 /nfs/dbraw/zinc/92/52/32/672925232.db2.gz RYNQXBAPEZVXRA-BXUZGUMPSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876792 672925146 /nfs/dbraw/zinc/92/51/46/672925146.db2.gz RYNQXBAPEZVXRA-FZMZJTMJSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876793 672925288 /nfs/dbraw/zinc/92/52/88/672925288.db2.gz RYNQXBAPEZVXRA-RISCZKNCSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876794 672925108 /nfs/dbraw/zinc/92/51/08/672925108.db2.gz RYNQXBAPEZVXRA-SMDDNHRTSA-N 1 0 342.440 -1.225 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876805 672925212 /nfs/dbraw/zinc/92/52/12/672925212.db2.gz SDZVHVLONQVNCA-KBPBESRZSA-N 1 0 345.440 -1.075 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876806 672925301 /nfs/dbraw/zinc/92/53/01/672925301.db2.gz SDZVHVLONQVNCA-KGLIPLIRSA-N 1 0 345.440 -1.075 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876807 672925351 /nfs/dbraw/zinc/92/53/51/672925351.db2.gz SDZVHVLONQVNCA-UONOGXRCSA-N 1 0 345.440 -1.075 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876808 672925226 /nfs/dbraw/zinc/92/52/26/672925226.db2.gz SDZVHVLONQVNCA-ZIAGYGMSSA-N 1 0 345.440 -1.075 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)CCNC(N)=O)C1CC1 ZINC001057876862 672925254 /nfs/dbraw/zinc/92/52/54/672925254.db2.gz UHVLCEZTIIQVNG-CYBMUJFWSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)CCNC(N)=O)C1CC1 ZINC001057876863 672925338 /nfs/dbraw/zinc/92/53/38/672925338.db2.gz UHVLCEZTIIQVNG-ZDUSSCGKSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1ncnn1)C1CC1 ZINC001057876864 672925343 /nfs/dbraw/zinc/92/53/43/672925343.db2.gz UKLQLIFAIVCGQD-CYBMUJFWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)Cn1ncnn1)C1CC1 ZINC001057876865 672925073 /nfs/dbraw/zinc/92/50/73/672925073.db2.gz UKLQLIFAIVCGQD-ZDUSSCGKSA-N 1 0 339.400 -2.050 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001057876885 672925401 /nfs/dbraw/zinc/92/54/01/672925401.db2.gz USMLKTYHSHBILQ-GFCCVEGCSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001057876886 672925087 /nfs/dbraw/zinc/92/50/87/672925087.db2.gz USMLKTYHSHBILQ-LBPRGKRZSA-N 1 0 338.412 -1.294 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001057876913 672925357 /nfs/dbraw/zinc/92/53/57/672925357.db2.gz VEQQTVDZLKMPJD-NEPJUHHUSA-N 1 0 341.412 -2.055 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001057876914 672925373 /nfs/dbraw/zinc/92/53/73/672925373.db2.gz VEQQTVDZLKMPJD-NWDGAFQWSA-N 1 0 341.412 -2.055 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001057876915 672925244 /nfs/dbraw/zinc/92/52/44/672925244.db2.gz VEQQTVDZLKMPJD-RYUDHWBXSA-N 1 0 341.412 -2.055 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001057876916 672925126 /nfs/dbraw/zinc/92/51/26/672925126.db2.gz VEQQTVDZLKMPJD-VXGBXAGGSA-N 1 0 341.412 -2.055 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001057876931 672925347 /nfs/dbraw/zinc/92/53/47/672925347.db2.gz VMDSWOPYFDMFTJ-GFCCVEGCSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001057876932 672925308 /nfs/dbraw/zinc/92/53/08/672925308.db2.gz VMDSWOPYFDMFTJ-LBPRGKRZSA-N 1 0 340.424 -1.471 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876960 672925181 /nfs/dbraw/zinc/92/51/81/672925181.db2.gz VZQNXOMWHQIZSU-CYBMUJFWSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876961 672925251 /nfs/dbraw/zinc/92/52/51/672925251.db2.gz VZQNXOMWHQIZSU-ZDUSSCGKSA-N 1 0 344.412 -1.380 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)CNC(N)=O)C1CC1 ZINC001057877014 672925876 /nfs/dbraw/zinc/92/58/76/672925876.db2.gz WRAKLKDHYYGBFA-GFCCVEGCSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)CNC(N)=O)C1CC1 ZINC001057877015 672925787 /nfs/dbraw/zinc/92/57/87/672925787.db2.gz WRAKLKDHYYGBFA-LBPRGKRZSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001057877033 672925823 /nfs/dbraw/zinc/92/58/23/672925823.db2.gz XCFRGUSJOFKMJW-GXTWGEPZSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001057877034 672925770 /nfs/dbraw/zinc/92/57/70/672925770.db2.gz XCFRGUSJOFKMJW-JSGCOSHPSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001057877035 672925616 /nfs/dbraw/zinc/92/56/16/672925616.db2.gz XCFRGUSJOFKMJW-OCCSQVGLSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001057877036 672925812 /nfs/dbraw/zinc/92/58/12/672925812.db2.gz XCFRGUSJOFKMJW-TZMCWYRMSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)Cn1cncn1)C1CC1 ZINC001057877053 672925737 /nfs/dbraw/zinc/92/57/37/672925737.db2.gz XMUIZPAJIMGAAP-AWEZNQCLSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1cncn1)C1CC1 ZINC001057877054 672925807 /nfs/dbraw/zinc/92/58/07/672925807.db2.gz XMUIZPAJIMGAAP-CQSZACIVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057877081 672925907 /nfs/dbraw/zinc/92/59/07/672925907.db2.gz YEZRRCUCTXFNSC-BXUZGUMPSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057877082 672925749 /nfs/dbraw/zinc/92/57/49/672925749.db2.gz YEZRRCUCTXFNSC-FZMZJTMJSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057877083 672925927 /nfs/dbraw/zinc/92/59/27/672925927.db2.gz YEZRRCUCTXFNSC-RISCZKNCSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057877084 672925719 /nfs/dbraw/zinc/92/57/19/672925719.db2.gz YEZRRCUCTXFNSC-SMDDNHRTSA-N 1 0 342.440 -1.212 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057877136 672925923 /nfs/dbraw/zinc/92/59/23/672925923.db2.gz ZFYURDOVBAPQCI-HNNXBMFYSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057877137 672925834 /nfs/dbraw/zinc/92/58/34/672925834.db2.gz ZFYURDOVBAPQCI-OAHLLOKOSA-N 1 0 345.440 -1.073 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057877140 672925692 /nfs/dbraw/zinc/92/56/92/672925692.db2.gz ZIDBNYSYUITKDN-HNNXBMFYSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057877141 672925800 /nfs/dbraw/zinc/92/58/00/672925800.db2.gz ZIDBNYSYUITKDN-OAHLLOKOSA-N 1 0 342.440 -1.258 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001057877148 672925657 /nfs/dbraw/zinc/92/56/57/672925657.db2.gz ZRRNSPGZSLODSS-GFCCVEGCSA-N 1 0 342.440 -1.225 20 0 EAADRO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001057877149 672925780 /nfs/dbraw/zinc/92/57/80/672925780.db2.gz ZRRNSPGZSLODSS-LBPRGKRZSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057879733 672926332 /nfs/dbraw/zinc/92/63/32/672926332.db2.gz ABQCXHFQJTWMOB-NEPJUHHUSA-N 1 0 342.440 -1.367 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057879734 672926299 /nfs/dbraw/zinc/92/62/99/672926299.db2.gz ABQCXHFQJTWMOB-NWDGAFQWSA-N 1 0 342.440 -1.367 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057879735 672926215 /nfs/dbraw/zinc/92/62/15/672926215.db2.gz ABQCXHFQJTWMOB-RYUDHWBXSA-N 1 0 342.440 -1.367 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057879736 672926258 /nfs/dbraw/zinc/92/62/58/672926258.db2.gz ABQCXHFQJTWMOB-VXGBXAGGSA-N 1 0 342.440 -1.367 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057879748 672926169 /nfs/dbraw/zinc/92/61/69/672926169.db2.gz APVIFIRVHFUNOP-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057879749 672926292 /nfs/dbraw/zinc/92/62/92/672926292.db2.gz APVIFIRVHFUNOP-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1CC1 ZINC001057879772 672926304 /nfs/dbraw/zinc/92/63/04/672926304.db2.gz BSMQGMFLNNETDV-GFCCVEGCSA-N 1 0 342.440 -1.225 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1CC1 ZINC001057879773 672926350 /nfs/dbraw/zinc/92/63/50/672926350.db2.gz BSMQGMFLNNETDV-LBPRGKRZSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1 ZINC001057879838 672926282 /nfs/dbraw/zinc/92/62/82/672926282.db2.gz DWRDDVFXURMERK-GFCCVEGCSA-N 1 0 342.440 -1.223 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1 ZINC001057879839 672926241 /nfs/dbraw/zinc/92/62/41/672926241.db2.gz DWRDDVFXURMERK-LBPRGKRZSA-N 1 0 342.440 -1.223 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1 ZINC001057879873 672926096 /nfs/dbraw/zinc/92/60/96/672926096.db2.gz GEIOHPJWKZTHRV-GFCCVEGCSA-N 1 0 342.440 -1.223 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1 ZINC001057879874 672926086 /nfs/dbraw/zinc/92/60/86/672926086.db2.gz GEIOHPJWKZTHRV-LBPRGKRZSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)CCC1 ZINC001057879923 672926543 /nfs/dbraw/zinc/92/65/43/672926543.db2.gz INOBZESCSPGGDW-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1 ZINC001057880003 672926703 /nfs/dbraw/zinc/92/67/03/672926703.db2.gz LNFLSPDQCXQBGG-LLVKDONJSA-N 1 0 328.413 -1.613 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1 ZINC001057880004 672926645 /nfs/dbraw/zinc/92/66/45/672926645.db2.gz LNFLSPDQCXQBGG-NSHDSACASA-N 1 0 328.413 -1.613 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057880023 672926670 /nfs/dbraw/zinc/92/66/70/672926670.db2.gz MEEYLZYCAHLKMF-UHFFFAOYSA-N 1 0 330.429 -1.223 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)CC1 ZINC001057880057 672926698 /nfs/dbraw/zinc/92/66/98/672926698.db2.gz NRVJHOPXYPBJRJ-UHFFFAOYSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057880090 672926996 /nfs/dbraw/zinc/92/69/96/672926996.db2.gz PEGGGGGLRZGDEB-UHFFFAOYSA-N 1 0 330.429 -1.223 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057880138 672927015 /nfs/dbraw/zinc/92/70/15/672927015.db2.gz QLPNQYLILZBEDV-UHFFFAOYSA-N 1 0 346.428 -1.987 20 0 EAADRO CC(C)(C(N)=O)C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001057880171 672927065 /nfs/dbraw/zinc/92/70/65/672927065.db2.gz RFXJQZPAEPTHMB-UHFFFAOYSA-N 1 0 328.413 -1.469 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057880175 672927050 /nfs/dbraw/zinc/92/70/50/672927050.db2.gz RKMPOWUSRMQYFP-LLVKDONJSA-N 1 0 328.413 -1.471 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057880176 672926792 /nfs/dbraw/zinc/92/67/92/672926792.db2.gz RKMPOWUSRMQYFP-NSHDSACASA-N 1 0 328.413 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057880236 672926979 /nfs/dbraw/zinc/92/69/79/672926979.db2.gz SZSWYFGVDUHTDS-UHFFFAOYSA-N 1 0 330.429 -1.223 20 0 EAADRO CC(C)(C(N)=O)C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057880276 672927386 /nfs/dbraw/zinc/92/73/86/672927386.db2.gz VIPDMGQIIUJZNS-UHFFFAOYSA-N 1 0 340.424 -1.469 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057880298 672927183 /nfs/dbraw/zinc/92/71/83/672927183.db2.gz VYJPJTVFOSHDJP-UHFFFAOYSA-N 1 0 330.429 -1.223 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)CC1 ZINC001057880346 672927372 /nfs/dbraw/zinc/92/73/72/672927372.db2.gz XRGWWYXSEVWREB-UHFFFAOYSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001057880396 672927496 /nfs/dbraw/zinc/92/74/96/672927496.db2.gz ZJHGPPYKUHCRMW-LLVKDONJSA-N 1 0 330.429 -1.225 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001057880397 672927400 /nfs/dbraw/zinc/92/74/00/672927400.db2.gz ZJHGPPYKUHCRMW-NSHDSACASA-N 1 0 330.429 -1.225 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057880882 672927232 /nfs/dbraw/zinc/92/72/32/672927232.db2.gz BXVDPRFRILPGRC-CHWSQXEVSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057880883 672927433 /nfs/dbraw/zinc/92/74/33/672927433.db2.gz BXVDPRFRILPGRC-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001057880903 672927322 /nfs/dbraw/zinc/92/73/22/672927322.db2.gz CTOORIWZBZQTDX-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O)[NH+](C)C ZINC001057880904 672927277 /nfs/dbraw/zinc/92/72/77/672927277.db2.gz CTOORIWZBZQTDX-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)C1CCC1 ZINC001057881178 672927670 /nfs/dbraw/zinc/92/76/70/672927670.db2.gz MOOQFOIKBMPIDK-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057881215 672927702 /nfs/dbraw/zinc/92/77/02/672927702.db2.gz NQYXHFIVLLEEBU-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057881216 672927816 /nfs/dbraw/zinc/92/78/16/672927816.db2.gz NQYXHFIVLLEEBU-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O)CC[N@@H+]1C ZINC001057881379 672928212 /nfs/dbraw/zinc/92/82/12/672928212.db2.gz UMJYPTLHCQWPAM-VXGBXAGGSA-N 1 0 342.440 -1.225 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001057881502 672927971 /nfs/dbraw/zinc/92/79/71/672927971.db2.gz ZMRRFBSIFKQPTG-UHFFFAOYSA-N 1 0 330.429 -1.225 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057882038 672928041 /nfs/dbraw/zinc/92/80/41/672928041.db2.gz AOLIWDQGIOHATH-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057882039 672928161 /nfs/dbraw/zinc/92/81/61/672928161.db2.gz AOLIWDQGIOHATH-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1)[NH+](C)C ZINC001057882064 672928056 /nfs/dbraw/zinc/92/80/56/672928056.db2.gz BIMMVDCZIVJFGW-NEPJUHHUSA-N 1 0 343.428 -1.809 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1)[NH+](C)C ZINC001057882065 672927991 /nfs/dbraw/zinc/92/79/91/672927991.db2.gz BIMMVDCZIVJFGW-RYUDHWBXSA-N 1 0 343.428 -1.809 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1)[NH+](C)C ZINC001057882101 672928082 /nfs/dbraw/zinc/92/80/82/672928082.db2.gz CMWRGYPINIPECJ-NEPJUHHUSA-N 1 0 344.412 -1.382 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1)[NH+](C)C ZINC001057882102 672928185 /nfs/dbraw/zinc/92/81/85/672928185.db2.gz CMWRGYPINIPECJ-RYUDHWBXSA-N 1 0 344.412 -1.382 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057882105 672928035 /nfs/dbraw/zinc/92/80/35/672928035.db2.gz COAAJTDIDPODNH-HNNXBMFYSA-N 1 0 344.456 -1.012 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001057882111 672927999 /nfs/dbraw/zinc/92/79/99/672927999.db2.gz CTOORIWZBZQTDX-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O)[NH+](C)C ZINC001057882112 672928100 /nfs/dbraw/zinc/92/81/00/672928100.db2.gz CTOORIWZBZQTDX-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)c1cnn(C)n1)[NH+](C)C ZINC001057882119 672928069 /nfs/dbraw/zinc/92/80/69/672928069.db2.gz CUVRZMHSAVRWCG-ZDUSSCGKSA-N 1 0 340.428 -1.048 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)c1ncn(C)n1)[NH+](C)C ZINC001057882128 672928146 /nfs/dbraw/zinc/92/81/46/672928146.db2.gz CZXMEUSFFHOTJQ-LBPRGKRZSA-N 1 0 340.428 -1.048 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057882131 672928130 /nfs/dbraw/zinc/92/81/30/672928130.db2.gz DBHXSQQKSGJYDM-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057882132 672928076 /nfs/dbraw/zinc/92/80/76/672928076.db2.gz DBHXSQQKSGJYDM-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057882140 672928583 /nfs/dbraw/zinc/92/85/83/672928583.db2.gz DHFHFNZPWXUOBA-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057882141 672928528 /nfs/dbraw/zinc/92/85/28/672928528.db2.gz DHFHFNZPWXUOBA-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)c1cn(C)nn1)[NH+](C)C ZINC001057882152 672928537 /nfs/dbraw/zinc/92/85/37/672928537.db2.gz DQUXOSGPAURXPM-ZDUSSCGKSA-N 1 0 340.428 -1.048 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057882224 672928492 /nfs/dbraw/zinc/92/84/92/672928492.db2.gz HKROZDRZBZXKEK-AWEZNQCLSA-N 1 0 330.429 -1.354 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057882244 672928433 /nfs/dbraw/zinc/92/84/33/672928433.db2.gz IAHCALXISPBIDY-ZDUSSCGKSA-N 1 0 346.428 -1.134 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O)[NH+](C)C ZINC001057882251 672928590 /nfs/dbraw/zinc/92/85/90/672928590.db2.gz IGIPLZGSNZFVSA-AGIUHOORSA-N 1 0 342.440 -1.369 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1ncnn1)[NH+](C)C ZINC001057882253 672928488 /nfs/dbraw/zinc/92/84/88/672928488.db2.gz IHQUMXYKELJYRO-ZDUSSCGKSA-N 1 0 341.416 -1.804 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1nccn1)[NH+](C)C ZINC001057882261 672928602 /nfs/dbraw/zinc/92/86/02/672928602.db2.gz INSCQCWWOHYLOS-AWEZNQCLSA-N 1 0 340.428 -1.199 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1)[NH+](C)C ZINC001057882267 672928413 /nfs/dbraw/zinc/92/84/13/672928413.db2.gz IVLGGLAMYVCAQN-KBPBESRZSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1COCCO1)[NH+](C)C ZINC001057882268 672928429 /nfs/dbraw/zinc/92/84/29/672928429.db2.gz IVLGGLAMYVCAQN-KGLIPLIRSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1)[NH+](C)C ZINC001057882295 672928577 /nfs/dbraw/zinc/92/85/77/672928577.db2.gz JZWQUAVPDKWRGS-AWEZNQCLSA-N 1 0 340.428 -1.130 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)CNC(N)=O)[NH+](C)C ZINC001057882323 672928581 /nfs/dbraw/zinc/92/85/81/672928581.db2.gz KXQJDUUKOSAQGJ-LBPRGKRZSA-N 1 0 331.417 -1.822 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)c1cnnn1C)[NH+](C)C ZINC001057882348 672928637 /nfs/dbraw/zinc/92/86/37/672928637.db2.gz LZICJEXGKUSJGO-ZDUSSCGKSA-N 1 0 340.428 -1.048 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1cnnn1)[NH+](C)C ZINC001057882459 672928553 /nfs/dbraw/zinc/92/85/53/672928553.db2.gz PKONLJPBLSGFHY-ZDUSSCGKSA-N 1 0 341.416 -1.804 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057882480 672928623 /nfs/dbraw/zinc/92/86/23/672928623.db2.gz QAHAGEKFUNDOKP-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057882481 672928848 /nfs/dbraw/zinc/92/88/48/672928848.db2.gz QAHAGEKFUNDOKP-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057882549 672929027 /nfs/dbraw/zinc/92/90/27/672929027.db2.gz SJJCWCDPXOUBEM-AWEZNQCLSA-N 1 0 330.429 -1.354 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)c1nnc[nH]1)[NH+](C)C ZINC001057882586 672928875 /nfs/dbraw/zinc/92/88/75/672928875.db2.gz VCSGYSXNBNGGIN-NSHDSACASA-N 1 0 326.401 -1.058 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057882610 672928884 /nfs/dbraw/zinc/92/88/84/672928884.db2.gz VXOJBAQSXDYBTH-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057882611 672928950 /nfs/dbraw/zinc/92/89/50/672928950.db2.gz VXOJBAQSXDYBTH-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001057882612 672928947 /nfs/dbraw/zinc/92/89/47/672928947.db2.gz VYIIANPSAAUMOF-LBPRGKRZSA-N 1 0 342.440 -1.225 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001057882635 672929009 /nfs/dbraw/zinc/92/90/09/672929009.db2.gz WNPHCHZNOBKNLS-JSGCOSHPSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1)[NH+](C)C ZINC001057882636 672928939 /nfs/dbraw/zinc/92/89/39/672928939.db2.gz WNPHCHZNOBKNLS-OCCSQVGLSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)NC(N)=O)[NH+](C)C ZINC001057882713 672928970 /nfs/dbraw/zinc/92/89/70/672928970.db2.gz ZAWGQJXTVSUPPL-RYUDHWBXSA-N 1 0 345.444 -1.434 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057883270 672929351 /nfs/dbraw/zinc/92/93/51/672929351.db2.gz DKAKHRIYFBJTIU-CYBMUJFWSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057883271 672929306 /nfs/dbraw/zinc/92/93/06/672929306.db2.gz DKAKHRIYFBJTIU-ZDUSSCGKSA-N 1 0 342.440 -1.210 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057883343 672929298 /nfs/dbraw/zinc/92/92/98/672929298.db2.gz GSTWWRCSCZLFBD-CYBMUJFWSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057883344 672929381 /nfs/dbraw/zinc/92/93/81/672929381.db2.gz GSTWWRCSCZLFBD-ZDUSSCGKSA-N 1 0 340.424 -1.455 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)Cn1cncn1)[NH+](C)C ZINC001057883351 672929417 /nfs/dbraw/zinc/92/94/17/672929417.db2.gz HHPRYNLMVFQMCT-AWEZNQCLSA-N 1 0 340.428 -1.199 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057883352 672929343 /nfs/dbraw/zinc/92/93/43/672929343.db2.gz HIQIQYPYJKLQBP-ZDUSSCGKSA-N 1 0 345.444 -1.561 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)c1cn[nH]n1)[NH+](C)C ZINC001057883369 672929386 /nfs/dbraw/zinc/92/93/86/672929386.db2.gz HXIUJLAYJBQFPZ-LBPRGKRZSA-N 1 0 326.401 -1.058 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)CC(=O)N(C)C)[NH+](C)C ZINC001057883596 672929278 /nfs/dbraw/zinc/92/92/78/672929278.db2.gz PAYMWSAMCGEYHL-HNNXBMFYSA-N 1 0 344.456 -1.012 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O)[NH+](C)C ZINC001057883617 672929449 /nfs/dbraw/zinc/92/94/49/672929449.db2.gz QFNVJXVBAYZYDU-OLZOCXBDSA-N 1 0 342.440 -1.354 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O)[NH+](C)C ZINC001057883618 672929325 /nfs/dbraw/zinc/92/93/25/672929325.db2.gz QFNVJXVBAYZYDU-STQMWFEESA-N 1 0 342.440 -1.354 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)CCNC(N)=O)[NH+](C)C ZINC001057883735 672929831 /nfs/dbraw/zinc/92/98/31/672929831.db2.gz ULYIMVBFDCJCGM-ZDUSSCGKSA-N 1 0 345.444 -1.432 20 0 EAADRO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)c1nnn(C)n1)[NH+](C)C ZINC001057883736 672929732 /nfs/dbraw/zinc/92/97/32/672929732.db2.gz UMPHTCKFNADUFO-NSHDSACASA-N 1 0 341.416 -1.653 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCNC2=O)C1 ZINC001057883815 672929794 /nfs/dbraw/zinc/92/97/94/672929794.db2.gz XPSSUGVFXWJYHO-CHWSQXEVSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCNC2=O)C1 ZINC001057883816 672929741 /nfs/dbraw/zinc/92/97/41/672929741.db2.gz XPSSUGVFXWJYHO-OLZOCXBDSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCNC2=O)C1 ZINC001057883817 672929699 /nfs/dbraw/zinc/92/96/99/672929699.db2.gz XPSSUGVFXWJYHO-QWHCGFSZSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCNC2=O)C1 ZINC001057883818 672929774 /nfs/dbraw/zinc/92/97/74/672929774.db2.gz XPSSUGVFXWJYHO-STQMWFEESA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001057884363 672929709 /nfs/dbraw/zinc/92/97/09/672929709.db2.gz BXVDPRFRILPGRC-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001057884364 672929725 /nfs/dbraw/zinc/92/97/25/672929725.db2.gz BXVDPRFRILPGRC-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]c(=O)c1 ZINC001057886022 672930425 /nfs/dbraw/zinc/93/04/25/672930425.db2.gz WCHVWOBEAVGUDB-GFCCVEGCSA-N 1 0 337.380 -1.173 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]c(=O)c1 ZINC001057886023 672930297 /nfs/dbraw/zinc/93/02/97/672930297.db2.gz WCHVWOBEAVGUDB-LBPRGKRZSA-N 1 0 337.380 -1.173 20 0 EAADRO O=C(NCCN(CCO)C(=O)c1cn[nH]c(=O)c1)C12CC[NH+](CC1)C2 ZINC001057886663 672930739 /nfs/dbraw/zinc/93/07/39/672930739.db2.gz GVEROUXCTJHXEY-UHFFFAOYSA-N 1 0 349.391 -1.171 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)c1cn[nH]c(=O)c1 ZINC001057886804 672930831 /nfs/dbraw/zinc/93/08/31/672930831.db2.gz MYHGCUARNDYAPL-UHFFFAOYSA-N 1 0 325.369 -1.315 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001057886849 672930619 /nfs/dbraw/zinc/93/06/19/672930619.db2.gz OKUKCZRSWPSAID-LLVKDONJSA-N 1 0 337.380 -1.315 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001057886850 672930839 /nfs/dbraw/zinc/93/08/39/672930839.db2.gz OKUKCZRSWPSAID-NSHDSACASA-N 1 0 337.380 -1.315 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)c1cn[nH]c(=O)c1 ZINC001057887098 672931172 /nfs/dbraw/zinc/93/11/72/672931172.db2.gz ZFZZZIQWUAUGBO-UHFFFAOYSA-N 1 0 337.380 -1.171 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057887534 672931077 /nfs/dbraw/zinc/93/10/77/672931077.db2.gz BWAIFRYJJCEAAA-UHFFFAOYSA-N 1 0 327.385 -1.074 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057888081 672931509 /nfs/dbraw/zinc/93/15/09/672931509.db2.gz YHZPBQCHZMQAMR-LLVKDONJSA-N 1 0 339.396 -1.074 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057888082 672931409 /nfs/dbraw/zinc/93/14/09/672931409.db2.gz YHZPBQCHZMQAMR-NSHDSACASA-N 1 0 339.396 -1.074 20 0 EAADRO COC1CC(C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)C1 ZINC001057889990 672931977 /nfs/dbraw/zinc/93/19/77/672931977.db2.gz QXSDDQCEHMOHDB-UHFFFAOYSA-N 1 0 345.440 -1.073 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001057892829 672931906 /nfs/dbraw/zinc/93/19/06/672931906.db2.gz AITOZEDCEKHLEV-CHWSQXEVSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001057892830 672931775 /nfs/dbraw/zinc/93/17/75/672931775.db2.gz AITOZEDCEKHLEV-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057892840 672932202 /nfs/dbraw/zinc/93/22/02/672932202.db2.gz ATAOLUYTLSJKKN-GFCCVEGCSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1)[NH+](C)C ZINC001057892906 672932184 /nfs/dbraw/zinc/93/21/84/672932184.db2.gz CYMRKRLWQQOYBV-CHWSQXEVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1)[NH+](C)C ZINC001057892907 672932295 /nfs/dbraw/zinc/93/22/95/672932295.db2.gz CYMRKRLWQQOYBV-OLZOCXBDSA-N 1 0 342.440 -1.068 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057892989 672932218 /nfs/dbraw/zinc/93/22/18/672932218.db2.gz HFHSBRCWLUNQRM-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057893082 672932285 /nfs/dbraw/zinc/93/22/85/672932285.db2.gz KWTUXZXTVTZFSU-CYBMUJFWSA-N 1 0 340.424 -1.312 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057893169 672932587 /nfs/dbraw/zinc/93/25/87/672932587.db2.gz OIMNEOVUBSGFOZ-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057893227 672932681 /nfs/dbraw/zinc/93/26/81/672932681.db2.gz QSJJRRNMSIFOHU-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057893355 672932538 /nfs/dbraw/zinc/93/25/38/672932538.db2.gz WYFMJGKRSVMRHN-CYBMUJFWSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057893380 672932670 /nfs/dbraw/zinc/93/26/70/672932670.db2.gz YDIPLPNHUMDGIR-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057893397 672932735 /nfs/dbraw/zinc/93/27/35/672932735.db2.gz YXBKTZCZPXFLPZ-CHWSQXEVSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001057893398 672932461 /nfs/dbraw/zinc/93/24/61/672932461.db2.gz YXBKTZCZPXFLPZ-OLZOCXBDSA-N 1 0 340.424 -1.314 20 0 EAADRO CN1CC[C@H](CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1=O ZINC001057893410 672932983 /nfs/dbraw/zinc/93/29/83/672932983.db2.gz ZGUOUJMCJNQMPE-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CN1CC[C@@H](CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1=O ZINC001057893411 672933034 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C[N@@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057966687 672946236 /nfs/dbraw/zinc/94/62/36/672946236.db2.gz PCVXHXMGGZYQRA-LBPRGKRZSA-N 1 0 328.413 -1.327 20 0 EAADRO NC(=O)CC(=O)NCCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001057972249 672947468 /nfs/dbraw/zinc/94/74/68/672947468.db2.gz UQOYTUWQPGYQDQ-UHFFFAOYSA-N 1 0 340.424 -1.325 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001057972354 672947643 /nfs/dbraw/zinc/94/76/43/672947643.db2.gz ZDQLDMGAWQNBRV-UHFFFAOYSA-N 1 0 326.397 -1.715 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)O1 ZINC001057973130 672947483 /nfs/dbraw/zinc/94/74/83/672947483.db2.gz MSUDTIYWTDNHRO-ZIAGYGMSSA-N 1 0 344.456 -1.406 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CCn1ccnn1)[NH+](C)C ZINC001057973852 672947521 /nfs/dbraw/zinc/94/75/21/672947521.db2.gz BHSYAOQCZCPHKE-CYBMUJFWSA-N 1 0 340.428 -1.055 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1COCCO1)[NH+](C)C ZINC001057973854 672947327 /nfs/dbraw/zinc/94/73/27/672947327.db2.gz 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EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CN1CN=NC1=O)[NH+](C)C ZINC001057974045 672947248 /nfs/dbraw/zinc/94/72/48/672947248.db2.gz HUFFVXKLOOPILN-LLVKDONJSA-N 1 0 342.400 -1.739 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1)[NH+](C)C ZINC001057974057 672947416 /nfs/dbraw/zinc/94/74/16/672947416.db2.gz IIVYONHGRIBTHA-GHMZBOCLSA-N 1 0 330.385 -1.628 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1)[NH+](C)C ZINC001057974058 672947518 /nfs/dbraw/zinc/94/75/18/672947518.db2.gz IIVYONHGRIBTHA-WDEREUQCSA-N 1 0 330.385 -1.628 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1cnn(C)n1)[NH+](C)C ZINC001057974061 672947560 /nfs/dbraw/zinc/94/75/60/672947560.db2.gz ILNCYPMCNWLDPO-GFCCVEGCSA-N 1 0 326.401 -1.294 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C1(C(=O)NC)CC1)[NH+](C)C ZINC001057974106 672947200 /nfs/dbraw/zinc/94/72/00/672947200.db2.gz KDSLXNOPTUUJQC-GFCCVEGCSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H](CC)[NH+](C)C ZINC001057974112 672947707 /nfs/dbraw/zinc/94/77/07/672947707.db2.gz KITDHXQBBKLRFF-GFCCVEGCSA-N 1 0 330.429 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)COCCOC)[NH+](C)C ZINC001057974128 672947583 /nfs/dbraw/zinc/94/75/83/672947583.db2.gz KSYFNJHLULBFQV-CYBMUJFWSA-N 1 0 333.429 -1.073 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1)[NH+](C)C ZINC001057974162 672947156 /nfs/dbraw/zinc/94/71/56/672947156.db2.gz LSNVIAHPJUJTAU-VXGBXAGGSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CNC(=O)OC)[NH+](C)C ZINC001057974175 672947428 /nfs/dbraw/zinc/94/74/28/672947428.db2.gz MGGAQNQMSSVSBP-LLVKDONJSA-N 1 0 332.401 -1.380 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1cc(=O)n(C)o1)[NH+](C)C ZINC001057974192 672947113 /nfs/dbraw/zinc/94/71/13/672947113.db2.gz NDOCSKRGINLYHT-LLVKDONJSA-N 1 0 342.396 -1.131 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1cn(C)nn1)[NH+](C)C ZINC001057974208 672947664 /nfs/dbraw/zinc/94/76/64/672947664.db2.gz NSAKFRMROBUOFZ-GFCCVEGCSA-N 1 0 326.401 -1.294 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)CCO1)[NH+](C)C ZINC001057974224 672947508 /nfs/dbraw/zinc/94/75/08/672947508.db2.gz NYQWOSBURMJIMW-KGLIPLIRSA-N 1 0 344.456 -1.406 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CN(C)CCO1)[NH+](C)C ZINC001057974225 672947492 /nfs/dbraw/zinc/94/74/92/672947492.db2.gz NYQWOSBURMJIMW-ZIAGYGMSSA-N 1 0 344.456 -1.406 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1nccnc1N)[NH+](C)C ZINC001057974240 672947337 /nfs/dbraw/zinc/94/73/37/672947337.db2.gz OORXWKZQPRDILC-LLVKDONJSA-N 1 0 338.412 -1.050 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CCn1cncn1)[NH+](C)C ZINC001057974244 672948199 /nfs/dbraw/zinc/94/81/99/672948199.db2.gz OTXZYLYHEQXGBX-CYBMUJFWSA-N 1 0 340.428 -1.055 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CN1CCOCC1)[NH+](C)C ZINC001057974249 672948123 /nfs/dbraw/zinc/94/81/23/672948123.db2.gz OWNXVYZOXXBAHZ-CQSZACIVSA-N 1 0 344.456 -1.404 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C1CN(C(C)=O)C1)[NH+](C)C ZINC001057974274 672947986 /nfs/dbraw/zinc/94/79/86/672947986.db2.gz PRNURQYNAYDZSI-CQSZACIVSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1cnnn1C)[NH+](C)C ZINC001057974286 672947956 /nfs/dbraw/zinc/94/79/56/672947956.db2.gz QNFMBKQMEJAVEP-LLVKDONJSA-N 1 0 326.401 -1.294 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)Cc1nnc(C)[nH]1)[NH+](C)C ZINC001057974293 672948257 /nfs/dbraw/zinc/94/82/57/672948257.db2.gz REFLMUVZXONENO-GFCCVEGCSA-N 1 0 340.428 -1.067 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1ncn(C)n1)[NH+](C)C ZINC001057974343 672948099 /nfs/dbraw/zinc/94/80/99/672948099.db2.gz TXCXRFGATOCRHV-LLVKDONJSA-N 1 0 326.401 -1.294 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CNC(=O)C1CC1)[NH+](C)C ZINC001057974354 672948231 /nfs/dbraw/zinc/94/82/31/672948231.db2.gz UBOFZMCQWAGADW-CYBMUJFWSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1)[NH+](C)C ZINC001057974360 672948244 /nfs/dbraw/zinc/94/82/44/672948244.db2.gz UHIAUEDNYFJTJJ-CHWSQXEVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001057974361 672948134 /nfs/dbraw/zinc/94/81/34/672948134.db2.gz UHIAUEDNYFJTJJ-QWHCGFSZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1)[NH+](C)C ZINC001057974452 672947963 /nfs/dbraw/zinc/94/79/63/672947963.db2.gz XJTRJWNEWKIVAS-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCNC(=O)C1)[NH+](C)C ZINC001057974453 672948209 /nfs/dbraw/zinc/94/82/09/672948209.db2.gz XJTRJWNEWKIVAS-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001057974461 672947925 /nfs/dbraw/zinc/94/79/25/672947925.db2.gz XUARIBVNCIAHCL-NEPJUHHUSA-N 1 0 326.397 -1.574 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001057974462 672948020 /nfs/dbraw/zinc/94/80/20/672948020.db2.gz XUARIBVNCIAHCL-NWDGAFQWSA-N 1 0 326.397 -1.574 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001057974463 672947939 /nfs/dbraw/zinc/94/79/39/672947939.db2.gz XUARIBVNCIAHCL-RYUDHWBXSA-N 1 0 326.397 -1.574 20 0 EAADRO NC(=O)C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001057974464 672948031 /nfs/dbraw/zinc/94/80/31/672948031.db2.gz XUARIBVNCIAHCL-VXGBXAGGSA-N 1 0 326.397 -1.574 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1cnn(C)c1N)[NH+](C)C ZINC001057974560 672948000 /nfs/dbraw/zinc/94/80/00/672948000.db2.gz ZWMCTFOAYOXCGP-GFCCVEGCSA-N 1 0 340.428 -1.107 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)C(=O)N1)[NH+](C)C ZINC001057974947 672948009 /nfs/dbraw/zinc/94/80/09/672948009.db2.gz AHEWQVGFHCHZRZ-NWDGAFQWSA-N 1 0 343.428 -1.713 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C(=O)N1)[NH+](C)C ZINC001057974948 672948063 /nfs/dbraw/zinc/94/80/63/672948063.db2.gz AHEWQVGFHCHZRZ-VXGBXAGGSA-N 1 0 343.428 -1.713 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]1CCNC1=O)[NH+](C)C ZINC001057975027 672947948 /nfs/dbraw/zinc/94/79/48/672947948.db2.gz CLEVVKITFRZZKR-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CCNC1=O)[NH+](C)C ZINC001057975028 672948049 /nfs/dbraw/zinc/94/80/49/672948049.db2.gz CLEVVKITFRZZKR-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](COC)OC)[NH+](C)C ZINC001057975047 672948166 /nfs/dbraw/zinc/94/81/66/672948166.db2.gz CYAFLSGMSUFQTE-CHWSQXEVSA-N 1 0 333.429 -1.075 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](COC)OC)[NH+](C)C ZINC001057975048 672948066 /nfs/dbraw/zinc/94/80/66/672948066.db2.gz CYAFLSGMSUFQTE-OLZOCXBDSA-N 1 0 333.429 -1.075 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C1CS(=O)(=O)C1)[NH+](C)C ZINC001057975051 672948084 /nfs/dbraw/zinc/94/80/84/672948084.db2.gz DBYOTVIIMXTZGX-GFCCVEGCSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1nnn(C)n1)[NH+](C)C ZINC001057975062 672948142 /nfs/dbraw/zinc/94/81/42/672948142.db2.gz DMVHJTORJYEZHE-SNVBAGLBSA-N 1 0 327.389 -1.899 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C(=O)NCC1CC1)[NH+](C)C ZINC001057975063 672948039 /nfs/dbraw/zinc/94/80/39/672948039.db2.gz DNBYROFKBIOIDW-CYBMUJFWSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1)[NH+](C)C ZINC001057975109 672947919 /nfs/dbraw/zinc/94/79/19/672947919.db2.gz GMPAPQMOYSNMSY-GFCCVEGCSA-N 1 0 339.396 -1.339 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1)[NH+](C)C ZINC001057975111 672947952 /nfs/dbraw/zinc/94/79/52/672947952.db2.gz GSDKTFNYEFOBDL-GHMZBOCLSA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1)[NH+](C)C ZINC001057975112 672948178 /nfs/dbraw/zinc/94/81/78/672948178.db2.gz GSDKTFNYEFOBDL-WDEREUQCSA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CCCC(N)=O)[NH+](C)C ZINC001057975167 672948171 /nfs/dbraw/zinc/94/81/71/672948171.db2.gz JBKYGANIDYHKLD-GFCCVEGCSA-N 1 0 330.429 -1.081 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)Cn1nccn1)[NH+](C)C ZINC001057975196 672948053 /nfs/dbraw/zinc/94/80/53/672948053.db2.gz JXMQGFLPMAOYPC-GFCCVEGCSA-N 1 0 326.401 -1.445 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CC(=O)N(C)C)[NH+](C)C ZINC001057975203 672948218 /nfs/dbraw/zinc/94/82/18/672948218.db2.gz KBLAKPAFSBYTER-GFCCVEGCSA-N 1 0 330.429 -1.258 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1)[NH+](C)C ZINC001057975208 672948156 /nfs/dbraw/zinc/94/81/56/672948156.db2.gz KEODZNCFLDZJOT-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1)[NH+](C)C ZINC001057975209 672948069 /nfs/dbraw/zinc/94/80/69/672948069.db2.gz KEODZNCFLDZJOT-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001057975239 672948092 /nfs/dbraw/zinc/94/80/92/672948092.db2.gz LEZIBCUAJXQDKL-LLVKDONJSA-N 1 0 328.413 -1.471 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001057975254 672948109 /nfs/dbraw/zinc/94/81/09/672948109.db2.gz LSNVIAHPJUJTAU-NWDGAFQWSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O)[NH+](C)C ZINC001057975263 672948116 /nfs/dbraw/zinc/94/81/16/672948116.db2.gz LTGGYYLIBJUUMF-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O)[NH+](C)C ZINC001057975264 672948149 /nfs/dbraw/zinc/94/81/49/672948149.db2.gz LTGGYYLIBJUUMF-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001057975303 672948027 /nfs/dbraw/zinc/94/80/27/672948027.db2.gz NEAWOOMGZOIRQA-CHWSQXEVSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001057975304 672948043 /nfs/dbraw/zinc/94/80/43/672948043.db2.gz NEAWOOMGZOIRQA-QWHCGFSZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)N1)[NH+](C)C ZINC001057975314 672948035 /nfs/dbraw/zinc/94/80/35/672948035.db2.gz NRQZUTVEAJHQRD-WBMJQRKESA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@]1(C)CCNC1=O)[NH+](C)C ZINC001057975315 672948080 /nfs/dbraw/zinc/94/80/80/672948080.db2.gz NVHGFAFRBLNSMW-MLGOLLRUSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@]1(C)CCNC1=O)[NH+](C)C ZINC001057975316 672947993 /nfs/dbraw/zinc/94/79/93/672947993.db2.gz NVHGFAFRBLNSMW-WBMJQRKESA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1)[NH+](C)C ZINC001057975338 672948185 /nfs/dbraw/zinc/94/81/85/672948185.db2.gz OSWIDFVWCDRTKD-LLVKDONJSA-N 1 0 326.401 -1.376 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1C)[NH+](C)C ZINC001057975387 672947931 /nfs/dbraw/zinc/94/79/31/672947931.db2.gz QFCPTTWVUYNZOP-CHWSQXEVSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1C)[NH+](C)C ZINC001057975388 672947934 /nfs/dbraw/zinc/94/79/34/672947934.db2.gz QFCPTTWVUYNZOP-OLZOCXBDSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)Cn1ncnn1)[NH+](C)C ZINC001057975405 672948470 /nfs/dbraw/zinc/94/84/70/672948470.db2.gz QTKPPHYNQKSUAG-LLVKDONJSA-N 1 0 327.389 -2.050 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@]1(C)CNC(=O)C1)[NH+](C)C ZINC001057975407 672948475 /nfs/dbraw/zinc/94/84/75/672948475.db2.gz QYMWKTMOUYLMTK-MLGOLLRUSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@]1(C)CNC(=O)C1)[NH+](C)C ZINC001057975408 672948464 /nfs/dbraw/zinc/94/84/64/672948464.db2.gz QYMWKTMOUYLMTK-WBMJQRKESA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)CNC(=O)NC)[NH+](C)C ZINC001057975427 672948523 /nfs/dbraw/zinc/94/85/23/672948523.db2.gz ROLKAJXHXBESTO-LLVKDONJSA-N 1 0 331.417 -1.807 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1)[NH+](C)C ZINC001057975431 672948685 /nfs/dbraw/zinc/94/86/85/672948685.db2.gz RUNUMALIXWPLNQ-CHWSQXEVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)C1)[NH+](C)C ZINC001057975448 672948719 /nfs/dbraw/zinc/94/87/19/672948719.db2.gz SNVWSDCJSPXTQJ-CHWSQXEVSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC(=O)N(C)C1)[NH+](C)C ZINC001057975449 672948454 /nfs/dbraw/zinc/94/84/54/672948454.db2.gz SNVWSDCJSPXTQJ-QWHCGFSZSA-N 1 0 342.440 -1.258 20 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C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994030 672951929 /nfs/dbraw/zinc/95/19/29/672951929.db2.gz GYGDTKFWXXOFSD-LBPRGKRZSA-N 1 0 342.440 -1.223 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)C2CC[NH+](C)CC2)n1 ZINC001057994032 672951955 /nfs/dbraw/zinc/95/19/55/672951955.db2.gz GZPUQZPIOCMCFG-UHFFFAOYSA-N 1 0 338.412 -1.292 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)Cn2nccn2)CC1 ZINC001057994127 672952019 /nfs/dbraw/zinc/95/20/19/672952019.db2.gz KBPDGOMLHGEIMR-UHFFFAOYSA-N 1 0 338.412 -1.443 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)CCCC(N)=O)CC1 ZINC001057994151 672951973 /nfs/dbraw/zinc/95/19/73/672951973.db2.gz LHLSXGOMCPMZRC-UHFFFAOYSA-N 1 0 342.440 -1.079 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994180 672951935 /nfs/dbraw/zinc/95/19/35/672951935.db2.gz MHKQHUWMVZYQNX-AWEZNQCLSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994181 672952062 /nfs/dbraw/zinc/95/20/62/672952062.db2.gz MHKQHUWMVZYQNX-CQSZACIVSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)CCNC(N)=O)CC1 ZINC001057994191 672952015 /nfs/dbraw/zinc/95/20/15/672952015.db2.gz MTFZTDXSPFECLZ-UHFFFAOYSA-N 1 0 343.428 -1.676 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)CC1 ZINC001057994204 672951871 /nfs/dbraw/zinc/95/18/71/672951871.db2.gz NEVBUISBBDXQHH-UHFFFAOYSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001057994267 672951888 /nfs/dbraw/zinc/95/18/88/672951888.db2.gz PSOHAJXJIMXVDO-ZDUSSCGKSA-N 1 0 340.424 -1.456 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)C2CC[NH+](C)CC2)n1 ZINC001057994330 672952058 /nfs/dbraw/zinc/95/20/58/672952058.db2.gz TWIPLQFGINTJDC-UHFFFAOYSA-N 1 0 339.400 -1.897 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)Cn2ncnn2)CC1 ZINC001057994339 672951882 /nfs/dbraw/zinc/95/18/82/672951882.db2.gz UEIKPBTZNMOBCZ-UHFFFAOYSA-N 1 0 339.400 -2.048 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001057994349 672951981 /nfs/dbraw/zinc/95/19/81/672951981.db2.gz UPLKLWWYOAOCMO-CYBMUJFWSA-N 1 0 340.424 -1.599 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001057994350 672951874 /nfs/dbraw/zinc/95/18/74/672951874.db2.gz UPLKLWWYOAOCMO-ZDUSSCGKSA-N 1 0 340.424 -1.599 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)Cn2cncn2)CC1 ZINC001057994408 672952049 /nfs/dbraw/zinc/95/20/49/672952049.db2.gz WQYCAKFUMQBPPY-UHFFFAOYSA-N 1 0 338.412 -1.443 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994447 672951974 /nfs/dbraw/zinc/95/19/74/672951974.db2.gz YLIBIEYBKBQXNL-UHFFFAOYSA-N 1 0 342.440 -1.256 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001057994467 672951883 /nfs/dbraw/zinc/95/18/83/672951883.db2.gz YWQHVIGWCVBWFN-GFCCVEGCSA-N 1 0 341.412 -2.053 20 0 EAADRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001057994468 672951891 /nfs/dbraw/zinc/95/18/91/672951891.db2.gz YWQHVIGWCVBWFN-LBPRGKRZSA-N 1 0 341.412 -2.053 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)Cn1ccnc1 ZINC001057996313 672952508 /nfs/dbraw/zinc/95/25/08/672952508.db2.gz FSQDKOKPVYJJPY-UHFFFAOYSA-N 1 0 341.412 -1.602 20 0 EAADRO O=C(Cn1ccnc1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057996529 672952476 /nfs/dbraw/zinc/95/24/76/672952476.db2.gz MZXUOKOSJIAQAP-UHFFFAOYSA-N 1 0 335.408 -1.084 20 0 EAADRO Cc1nonc1C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058003615 672954381 /nfs/dbraw/zinc/95/43/81/672954381.db2.gz SXAVORACZYTYQH-UHFFFAOYSA-N 1 0 343.384 -1.493 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001058003625 672954322 /nfs/dbraw/zinc/95/43/22/672954322.db2.gz UCEFURDUEDQTIJ-LBPRGKRZSA-N 1 0 343.428 -1.582 20 0 EAADRO Cc1nonc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058006100 672954621 /nfs/dbraw/zinc/95/46/21/672954621.db2.gz ZEJRUIDRIJIQBY-LLVKDONJSA-N 1 0 325.369 -1.120 20 0 EAADRO Cc1nonc1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058006101 672954773 /nfs/dbraw/zinc/95/47/73/672954773.db2.gz ZEJRUIDRIJIQBY-NSHDSACASA-N 1 0 325.369 -1.120 20 0 EAADRO Cn1cc(CCC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)nn1 ZINC001058010333 672954947 /nfs/dbraw/zinc/95/49/47/672954947.db2.gz IQSNBMBTJDXRKA-UHFFFAOYSA-N 1 0 340.428 -1.364 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC1CS(=O)(=O)C1 ZINC001058015714 672956219 /nfs/dbraw/zinc/95/62/19/672956219.db2.gz OUGJFNZVIRGGMS-UHFFFAOYSA-N 1 0 349.453 -1.690 20 0 EAADRO Cn1cnn(CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)c1=O ZINC001058015724 672956101 /nfs/dbraw/zinc/95/61/01/672956101.db2.gz PAYULTBHTHMREX-UHFFFAOYSA-N 1 0 342.400 -2.529 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058020184 672956436 /nfs/dbraw/zinc/95/64/36/672956436.db2.gz ICALYJDYVDSZLK-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058020185 672956563 /nfs/dbraw/zinc/95/65/63/672956563.db2.gz ICALYJDYVDSZLK-CQSZACIVSA-N 1 0 344.456 -1.404 20 0 EAADRO Cc1c(C(=O)N(CCO)CCNC(=O)C(N)=O)ccc2c[nH+]cn21 ZINC001058025103 672956854 /nfs/dbraw/zinc/95/68/54/672956854.db2.gz QHWGXTHLCBJPBU-UHFFFAOYSA-N 1 0 333.348 -1.321 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C(=O)NCC(F)F ZINC001058026695 672957320 /nfs/dbraw/zinc/95/73/20/672957320.db2.gz GERFXSGNCYPWDR-UHFFFAOYSA-N 1 0 338.355 -1.744 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC(=O)N1 ZINC001058028054 672957787 /nfs/dbraw/zinc/95/77/87/672957787.db2.gz AZMQRGZVYDUSAG-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO C[C@@H]1C[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC(=O)N1 ZINC001058028055 672957803 /nfs/dbraw/zinc/95/78/03/672957803.db2.gz AZMQRGZVYDUSAG-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC(=O)N1 ZINC001058028056 672957859 /nfs/dbraw/zinc/95/78/59/672957859.db2.gz AZMQRGZVYDUSAG-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO C[C@H]1C[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC(=O)N1 ZINC001058028057 672957892 /nfs/dbraw/zinc/95/78/92/672957892.db2.gz AZMQRGZVYDUSAG-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO Cn1cncc1C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058029895 672958910 /nfs/dbraw/zinc/95/89/10/672958910.db2.gz XUOXQSDNGCNJIU-UHFFFAOYSA-N 1 0 341.412 -1.451 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CCCCNC(N)=O ZINC001058033153 672959656 /nfs/dbraw/zinc/95/96/56/672959656.db2.gz YYVYSHBTCMFIKN-UHFFFAOYSA-N 1 0 345.444 -1.286 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1ncnn1 ZINC001058038709 672959763 /nfs/dbraw/zinc/95/97/63/672959763.db2.gz DQJOIGCWESPCNV-GFCCVEGCSA-N 1 0 339.400 -1.906 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1ncnn1 ZINC001058038710 672959891 /nfs/dbraw/zinc/95/98/91/672959891.db2.gz DQJOIGCWESPCNV-LBPRGKRZSA-N 1 0 339.400 -1.906 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001058038713 672959738 /nfs/dbraw/zinc/95/97/38/672959738.db2.gz DRTAAZDFQOYWOS-CYBMUJFWSA-N 1 0 338.412 -1.301 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001058038714 672959926 /nfs/dbraw/zinc/95/99/26/672959926.db2.gz DRTAAZDFQOYWOS-ZDUSSCGKSA-N 1 0 338.412 -1.301 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001058038738 672959946 /nfs/dbraw/zinc/95/99/46/672959946.db2.gz FDRLBMDPQQFMMG-CHWSQXEVSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001058038739 672959691 /nfs/dbraw/zinc/95/96/91/672959691.db2.gz FDRLBMDPQQFMMG-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001058038740 672959881 /nfs/dbraw/zinc/95/98/81/672959881.db2.gz FDRLBMDPQQFMMG-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001058038741 672959850 /nfs/dbraw/zinc/95/98/50/672959850.db2.gz FDRLBMDPQQFMMG-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001058038773 672959804 /nfs/dbraw/zinc/95/98/04/672959804.db2.gz GEEZBJADRVKCLG-LLVKDONJSA-N 1 0 339.400 -1.755 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001058038774 672959686 /nfs/dbraw/zinc/95/96/86/672959686.db2.gz GEEZBJADRVKCLG-NSHDSACASA-N 1 0 339.400 -1.755 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC001058038869 672959673 /nfs/dbraw/zinc/95/96/73/672959673.db2.gz IVMSLHWJOZUIDU-GFCCVEGCSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC001058038870 672960500 /nfs/dbraw/zinc/96/05/00/672960500.db2.gz IVMSLHWJOZUIDU-LBPRGKRZSA-N 1 0 340.424 -1.327 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058038873 672960545 /nfs/dbraw/zinc/96/05/45/672960545.db2.gz IYWOTRIWEPSTOA-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058038874 672960213 /nfs/dbraw/zinc/96/02/13/672960213.db2.gz IYWOTRIWEPSTOA-ZDUSSCGKSA-N 1 0 342.440 -1.114 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001058038883 672960305 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20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001058038959 672960241 /nfs/dbraw/zinc/96/02/41/672960241.db2.gz LOGRDYMGJRFCRM-AGIUHOORSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001058038960 672960446 /nfs/dbraw/zinc/96/04/46/672960446.db2.gz LOGRDYMGJRFCRM-FRRDWIJNSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001058039027 672960418 /nfs/dbraw/zinc/96/04/18/672960418.db2.gz NWBMCJQNXPIJRA-CYBMUJFWSA-N 1 0 338.412 -1.301 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001058039028 672960438 /nfs/dbraw/zinc/96/04/38/672960438.db2.gz NWBMCJQNXPIJRA-ZDUSSCGKSA-N 1 0 338.412 -1.301 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058039174 672960101 /nfs/dbraw/zinc/96/01/01/672960101.db2.gz RWWBPWBRACJSGW-GFCCVEGCSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058039175 672960324 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AAEOCDGOJSNHIX-ZDUSSCGKSA-N 1 0 347.412 -2.083 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 ZINC001058156180 672986323 /nfs/dbraw/zinc/98/63/23/672986323.db2.gz AIOCWDVRRNFCPR-UHFFFAOYSA-N 1 0 342.400 -2.138 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC001058156183 672986374 /nfs/dbraw/zinc/98/63/74/672986374.db2.gz AKDOQPVSFJHSSC-UHFFFAOYSA-N 1 0 344.412 -2.233 20 0 EAADRO CO[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)C1CC1 ZINC001058156190 672986332 /nfs/dbraw/zinc/98/63/32/672986332.db2.gz ANFIRTFDBOCETI-HNNXBMFYSA-N 1 0 345.440 -1.073 20 0 EAADRO CO[C@@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)C1CC1 ZINC001058156191 672986395 /nfs/dbraw/zinc/98/63/95/672986395.db2.gz ANFIRTFDBOCETI-OAHLLOKOSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCOC1 ZINC001058156200 672986421 /nfs/dbraw/zinc/98/64/21/672986421.db2.gz AURFJEHLEIZSJK-AWEZNQCLSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCOC1 ZINC001058156201 672986190 /nfs/dbraw/zinc/98/61/90/672986190.db2.gz AURFJEHLEIZSJK-CQSZACIVSA-N 1 0 345.440 -1.072 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)c1 ZINC001058156202 672986237 /nfs/dbraw/zinc/98/62/37/672986237.db2.gz AZEPRCUFMAZCGO-UHFFFAOYSA-N 1 0 341.412 -1.451 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001058156207 672986457 /nfs/dbraw/zinc/98/64/57/672986457.db2.gz BDTNZXYJRJVANS-GFCCVEGCSA-N 1 0 344.412 -2.220 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001058156208 672986185 /nfs/dbraw/zinc/98/61/85/672986185.db2.gz BDTNZXYJRJVANS-LBPRGKRZSA-N 1 0 344.412 -2.220 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058156230 672986490 /nfs/dbraw/zinc/98/64/90/672986490.db2.gz CMEIDADDSHPJCB-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058156231 672986363 /nfs/dbraw/zinc/98/63/63/672986363.db2.gz CMEIDADDSHPJCB-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058156232 672986436 /nfs/dbraw/zinc/98/64/36/672986436.db2.gz CMEIDADDSHPJCB-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058156233 672986353 /nfs/dbraw/zinc/98/63/53/672986353.db2.gz CMEIDADDSHPJCB-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1ccn[nH]1 ZINC001058156241 672986495 /nfs/dbraw/zinc/98/64/95/672986495.db2.gz CUBXENPQFLVIIT-UHFFFAOYSA-N 1 0 327.385 -1.461 20 0 EAADRO Cn1cncc1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156245 672986493 /nfs/dbraw/zinc/98/64/93/672986493.db2.gz CWIXWLDDGIECLH-UHFFFAOYSA-N 1 0 341.412 -1.451 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156268 672986903 /nfs/dbraw/zinc/98/69/03/672986903.db2.gz DPGGDAWLZVSKKK-NSHDSACASA-N 1 0 347.416 -2.442 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cc1c[nH]cn1 ZINC001058156282 672986802 /nfs/dbraw/zinc/98/68/02/672986802.db2.gz DUKFCXPNZJLMFF-UHFFFAOYSA-N 1 0 341.412 -1.533 20 0 EAADRO CO[C@H](C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156283 672986826 /nfs/dbraw/zinc/98/68/26/672986826.db2.gz DUUUWGHPCCRIKZ-CYBMUJFWSA-N 1 0 333.429 -1.073 20 0 EAADRO CO[C@@H](C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156284 672986867 /nfs/dbraw/zinc/98/68/67/672986867.db2.gz DUUUWGHPCCRIKZ-ZDUSSCGKSA-N 1 0 333.429 -1.073 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156285 672986894 /nfs/dbraw/zinc/98/68/94/672986894.db2.gz DWAVJKNULWDNDI-UHFFFAOYSA-N 1 0 346.428 -2.020 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156288 672986892 /nfs/dbraw/zinc/98/68/92/672986892.db2.gz DYVMGCPGEBNBAS-UHFFFAOYSA-N 1 0 346.428 -1.972 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCOC1 ZINC001058156292 672986857 /nfs/dbraw/zinc/98/68/57/672986857.db2.gz FCRQZMYVTSSZAL-AWEZNQCLSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C[C@H]1CCOC1 ZINC001058156293 672986832 /nfs/dbraw/zinc/98/68/32/672986832.db2.gz FCRQZMYVTSSZAL-CQSZACIVSA-N 1 0 345.440 -1.072 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156294 672986830 /nfs/dbraw/zinc/98/68/30/672986830.db2.gz FCTJUSPSEBBLNQ-CQSZACIVSA-N 1 0 333.429 -1.481 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156296 672986901 /nfs/dbraw/zinc/98/69/01/672986901.db2.gz FEAWESAOPMGABH-UHFFFAOYSA-N 1 0 346.428 -2.020 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)cn1 ZINC001058156297 672986852 /nfs/dbraw/zinc/98/68/52/672986852.db2.gz FERAJLCKNGBYCV-UHFFFAOYSA-N 1 0 341.412 -1.451 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1ccnnc1 ZINC001058156320 672986874 /nfs/dbraw/zinc/98/68/74/672986874.db2.gz GBTQCCBPAJOMJE-UHFFFAOYSA-N 1 0 339.396 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cncnc1 ZINC001058156327 672986854 /nfs/dbraw/zinc/98/68/54/672986854.db2.gz GHEAZVVAVRDGJK-UHFFFAOYSA-N 1 0 339.396 -1.395 20 0 EAADRO CC[C@@H](OC)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156335 672986810 /nfs/dbraw/zinc/98/68/10/672986810.db2.gz GKNYFJZZQMJEFK-CYBMUJFWSA-N 1 0 333.429 -1.073 20 0 EAADRO CC[C@H](OC)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156336 672986837 /nfs/dbraw/zinc/98/68/37/672986837.db2.gz GKNYFJZZQMJEFK-ZDUSSCGKSA-N 1 0 333.429 -1.073 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156348 672986913 /nfs/dbraw/zinc/98/69/13/672986913.db2.gz GRAVPWQJPPFGJU-GFCCVEGCSA-N 1 0 346.428 -1.974 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156349 672986828 /nfs/dbraw/zinc/98/68/28/672986828.db2.gz GRAVPWQJPPFGJU-LBPRGKRZSA-N 1 0 346.428 -1.974 20 0 EAADRO CCO[C@H](C)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156350 672986872 /nfs/dbraw/zinc/98/68/72/672986872.db2.gz GSCJYODJQQLTNL-CYBMUJFWSA-N 1 0 333.429 -1.073 20 0 EAADRO CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156351 672986890 /nfs/dbraw/zinc/98/68/90/672986890.db2.gz GSCJYODJQQLTNL-ZDUSSCGKSA-N 1 0 333.429 -1.073 20 0 EAADRO Cc1c[nH]nc1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156367 672986876 /nfs/dbraw/zinc/98/68/76/672986876.db2.gz HEQOTSZJJKEOEA-UHFFFAOYSA-N 1 0 341.412 -1.153 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156374 672986800 /nfs/dbraw/zinc/98/68/00/672986800.db2.gz HRZFTDYVIQAOAA-UHFFFAOYSA-N 1 0 332.401 -2.362 20 0 EAADRO C[C@H]1C[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)CO1 ZINC001058156378 672986881 /nfs/dbraw/zinc/98/68/81/672986881.db2.gz HWWQVLLIEXCRLL-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@@H]1C[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)CO1 ZINC001058156379 672986910 /nfs/dbraw/zinc/98/69/10/672986910.db2.gz HWWQVLLIEXCRLL-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)CO1 ZINC001058156380 672986796 /nfs/dbraw/zinc/98/67/96/672986796.db2.gz HWWQVLLIEXCRLL-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)CO1 ZINC001058156381 672986888 /nfs/dbraw/zinc/98/68/88/672986888.db2.gz HWWQVLLIEXCRLL-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)CC1(O)CCC1 ZINC001058156384 672986859 /nfs/dbraw/zinc/98/68/59/672986859.db2.gz HZYYZAXHICWRLZ-UHFFFAOYSA-N 1 0 345.440 -1.193 20 0 EAADRO COCCCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156391 672986902 /nfs/dbraw/zinc/98/69/02/672986902.db2.gz IEBWEJQRFSEPIQ-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO CCOCCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156394 672986907 /nfs/dbraw/zinc/98/69/07/672986907.db2.gz IEYUTURBVCWWRT-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO C[C@@H]1CCO[C@@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156411 672986843 /nfs/dbraw/zinc/98/68/43/672986843.db2.gz JBXOHBFSEWHYKU-HIFRSBDPSA-N 1 0 345.440 -1.073 20 0 EAADRO Cn1nncc1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156412 672986865 /nfs/dbraw/zinc/98/68/65/672986865.db2.gz JGJJZMFNTDZAQB-UHFFFAOYSA-N 1 0 342.400 -2.056 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1ccon1 ZINC001058156426 672986915 /nfs/dbraw/zinc/98/69/15/672986915.db2.gz JMRVJQQFFADHTL-UHFFFAOYSA-N 1 0 328.369 -1.197 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)nn1 ZINC001058156427 672986912 /nfs/dbraw/zinc/98/69/12/672986912.db2.gz JNGYGPBYTRIRCM-UHFFFAOYSA-N 1 0 342.400 -2.056 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cn[nH]c1 ZINC001058156437 672986899 /nfs/dbraw/zinc/98/68/99/672986899.db2.gz JVBCJZCWGBIHME-UHFFFAOYSA-N 1 0 327.385 -1.461 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156441 672986886 /nfs/dbraw/zinc/98/68/86/672986886.db2.gz KAVAZIKAQNNSOQ-UHFFFAOYSA-N 1 0 348.400 -2.142 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1ccncn1 ZINC001058156444 672986883 /nfs/dbraw/zinc/98/68/83/672986883.db2.gz KBNULZJXBLMDIB-UHFFFAOYSA-N 1 0 339.396 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cn1ncnn1 ZINC001058156449 672986835 /nfs/dbraw/zinc/98/68/35/672986835.db2.gz KHGMBFUDLKZZBT-UHFFFAOYSA-N 1 0 343.388 -2.812 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1ncccn1 ZINC001058156477 672986848 /nfs/dbraw/zinc/98/68/48/672986848.db2.gz LCYBPXQTCRQUON-UHFFFAOYSA-N 1 0 339.396 -1.395 20 0 EAADRO C[C@@H]1CO[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)C1 ZINC001058156481 672986885 /nfs/dbraw/zinc/98/68/85/672986885.db2.gz LHESZKNMPDQHCL-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@H]1CO[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)C1 ZINC001058156482 672986845 /nfs/dbraw/zinc/98/68/45/672986845.db2.gz LHESZKNMPDQHCL-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@@H]1CO[C@@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)C1 ZINC001058156483 672986908 /nfs/dbraw/zinc/98/69/08/672986908.db2.gz LHESZKNMPDQHCL-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@H]1CO[C@@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)C1 ZINC001058156484 672986879 /nfs/dbraw/zinc/98/68/79/672986879.db2.gz LHESZKNMPDQHCL-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO COCC1(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)CC1 ZINC001058156493 672986819 /nfs/dbraw/zinc/98/68/19/672986819.db2.gz LLXFPFWIKWOARJ-UHFFFAOYSA-N 1 0 345.440 -1.072 20 0 EAADRO CC(C)OCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156500 672986898 /nfs/dbraw/zinc/98/68/98/672986898.db2.gz LNJSGPUKTWFAOG-UHFFFAOYSA-N 1 0 333.429 -1.073 20 0 EAADRO Cc1ncc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)[nH]1 ZINC001058156505 672986905 /nfs/dbraw/zinc/98/69/05/672986905.db2.gz LTGLYEWALPQELS-UHFFFAOYSA-N 1 0 341.412 -1.153 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cnns1 ZINC001058156511 672986871 /nfs/dbraw/zinc/98/68/71/672986871.db2.gz LWGHASBPJKGXPK-UHFFFAOYSA-N 1 0 345.425 -1.333 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058156512 672986836 /nfs/dbraw/zinc/98/68/36/672986836.db2.gz LWRXYCUVMQURRF-NEPJUHHUSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058156513 672986911 /nfs/dbraw/zinc/98/69/11/672986911.db2.gz LWRXYCUVMQURRF-NWDGAFQWSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)[C@H]1CCC[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058156514 672986856 /nfs/dbraw/zinc/98/68/56/672986856.db2.gz LWRXYCUVMQURRF-RYUDHWBXSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058156515 672986896 /nfs/dbraw/zinc/98/68/96/672986896.db2.gz LWRXYCUVMQURRF-VXGBXAGGSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cccnn1 ZINC001058156521 672986842 /nfs/dbraw/zinc/98/68/42/672986842.db2.gz MGEZQHLFJFHEOX-UHFFFAOYSA-N 1 0 339.396 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)COCC1CC1 ZINC001058156534 672986850 /nfs/dbraw/zinc/98/68/50/672986850.db2.gz MSLUXCGMTSSUBT-UHFFFAOYSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cnccn1 ZINC001058156535 672986914 /nfs/dbraw/zinc/98/69/14/672986914.db2.gz MSSTVLYWLKXADW-UHFFFAOYSA-N 1 0 339.396 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 ZINC001058156536 672986869 /nfs/dbraw/zinc/98/68/69/672986869.db2.gz MWERIZDSUPDBMK-UHFFFAOYSA-N 1 0 341.412 -1.533 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C1=COCCO1 ZINC001058156547 672987299 /nfs/dbraw/zinc/98/72/99/672987299.db2.gz MZWVPNUTBQXSKR-UHFFFAOYSA-N 1 0 345.396 -1.610 20 0 EAADRO Cn1nccc1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156570 672987115 /nfs/dbraw/zinc/98/71/15/672987115.db2.gz NWOMVLUVAMZYOS-UHFFFAOYSA-N 1 0 341.412 -1.451 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156586 672987175 /nfs/dbraw/zinc/98/71/75/672987175.db2.gz OCUQZFWFYQOBLZ-UHFFFAOYSA-N 1 0 349.428 -1.835 20 0 EAADRO Cn1ccc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)n1 ZINC001058156595 672987161 /nfs/dbraw/zinc/98/71/61/672987161.db2.gz OLJZGXMWSWJNOX-UHFFFAOYSA-N 1 0 341.412 -1.451 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCOC1 ZINC001058156610 672987043 /nfs/dbraw/zinc/98/70/43/672987043.db2.gz OXGVSGHXCHTACI-INIZCTEOSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCOC1 ZINC001058156611 672987112 /nfs/dbraw/zinc/98/71/12/672987112.db2.gz OXGVSGHXCHTACI-MRXNPFEDSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001058156615 672987179 /nfs/dbraw/zinc/98/71/79/672987179.db2.gz OZJJGTTWOIABSP-LLVKDONJSA-N 1 0 345.400 -2.817 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001058156616 672987252 /nfs/dbraw/zinc/98/72/52/672987252.db2.gz OZJJGTTWOIABSP-NSHDSACASA-N 1 0 345.400 -2.817 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001058156630 672987337 /nfs/dbraw/zinc/98/73/37/672987337.db2.gz PIUNAMCFDOKHMD-UHFFFAOYSA-N 1 0 333.389 -2.830 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1ncc[nH]1 ZINC001058156641 672987325 /nfs/dbraw/zinc/98/73/25/672987325.db2.gz PRGFLMQBSQWXFH-UHFFFAOYSA-N 1 0 327.385 -1.461 20 0 EAADRO COC1CC(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)C1 ZINC001058156644 672987304 /nfs/dbraw/zinc/98/73/04/672987304.db2.gz PUGDEAKMIQCZLN-UHFFFAOYSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001058156649 672987293 /nfs/dbraw/zinc/98/72/93/672987293.db2.gz PXUYKMRIGVBADR-UHFFFAOYSA-N 1 0 342.400 -2.207 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1n[nH]cc1F ZINC001058156672 672987283 /nfs/dbraw/zinc/98/72/83/672987283.db2.gz QQNUFDQSGIMTDU-UHFFFAOYSA-N 1 0 345.375 -1.322 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001058156686 672987322 /nfs/dbraw/zinc/98/73/22/672987322.db2.gz RBBSICIALHHKKM-NEPJUHHUSA-N 1 0 344.412 -2.377 20 0 EAADRO Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)n1 ZINC001058156689 672987106 /nfs/dbraw/zinc/98/71/06/672987106.db2.gz RCFXQIRHSNBTOL-UHFFFAOYSA-N 1 0 341.412 -1.153 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001058156698 672987244 /nfs/dbraw/zinc/98/72/44/672987244.db2.gz RMWRAXIUMNQQRW-UHFFFAOYSA-N 1 0 329.357 -1.802 20 0 EAADRO CCO[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156715 672987239 /nfs/dbraw/zinc/98/72/39/672987239.db2.gz RXUYQTAXEZJGDI-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO CCO[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156716 672987196 /nfs/dbraw/zinc/98/71/96/672987196.db2.gz RXUYQTAXEZJGDI-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO CCO[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156717 672987280 /nfs/dbraw/zinc/98/72/80/672987280.db2.gz RXUYQTAXEZJGDI-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO CCO[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156718 672987301 /nfs/dbraw/zinc/98/73/01/672987301.db2.gz RXUYQTAXEZJGDI-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)n1 ZINC001058156737 672987138 /nfs/dbraw/zinc/98/71/38/672987138.db2.gz SJEWIJMBPHLCMQ-UHFFFAOYSA-N 1 0 342.400 -2.056 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001058156738 672987171 /nfs/dbraw/zinc/98/71/71/672987171.db2.gz SKQTVQKAEXVQOW-UHFFFAOYSA-N 1 0 342.400 -2.207 20 0 EAADRO Cn1ncc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)n1 ZINC001058156766 672987309 /nfs/dbraw/zinc/98/73/09/672987309.db2.gz TVQAPDVYOKJTBX-UHFFFAOYSA-N 1 0 342.400 -2.056 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 ZINC001058156771 672987270 /nfs/dbraw/zinc/98/72/70/672987270.db2.gz UAJVNMVBASPVLL-UHFFFAOYSA-N 1 0 341.412 -1.533 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156772 672987205 /nfs/dbraw/zinc/98/72/05/672987205.db2.gz UHAGYLWBZKAXQN-CYBMUJFWSA-N 1 0 349.428 -1.837 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156773 672987288 /nfs/dbraw/zinc/98/72/88/672987288.db2.gz UHAGYLWBZKAXQN-ZDUSSCGKSA-N 1 0 349.428 -1.837 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cn1cccn1 ZINC001058156784 672987311 /nfs/dbraw/zinc/98/73/11/672987311.db2.gz UQLPLKIKKZFHIT-UHFFFAOYSA-N 1 0 341.412 -1.602 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cocn1 ZINC001058156794 672987210 /nfs/dbraw/zinc/98/72/10/672987210.db2.gz UXQRIADVTOKKEY-UHFFFAOYSA-N 1 0 328.369 -1.197 20 0 EAADRO CCCOCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156806 672987052 /nfs/dbraw/zinc/98/70/52/672987052.db2.gz VNAFKYXOIMSBFO-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO C[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156807 672987317 /nfs/dbraw/zinc/98/73/17/672987317.db2.gz VPHMYHMIBISZII-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156808 672987266 /nfs/dbraw/zinc/98/72/66/672987266.db2.gz VPHMYHMIBISZII-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156809 672987291 /nfs/dbraw/zinc/98/72/91/672987291.db2.gz VPHMYHMIBISZII-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO C[C@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156810 672987276 /nfs/dbraw/zinc/98/72/76/672987276.db2.gz VPHMYHMIBISZII-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 ZINC001058156826 672987327 /nfs/dbraw/zinc/98/73/27/672987327.db2.gz WALCFENSTCPBTQ-CYBMUJFWSA-N 1 0 331.413 -1.462 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 ZINC001058156827 672987329 /nfs/dbraw/zinc/98/73/29/672987329.db2.gz WALCFENSTCPBTQ-ZDUSSCGKSA-N 1 0 331.413 -1.462 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cnsn1 ZINC001058156833 672987098 /nfs/dbraw/zinc/98/70/98/672987098.db2.gz WDINFSUYSYQZLQ-UHFFFAOYSA-N 1 0 345.425 -1.333 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156856 672987215 /nfs/dbraw/zinc/98/72/15/672987215.db2.gz WUJPKROQYRDEFX-UHFFFAOYSA-N 1 0 346.428 -1.972 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 ZINC001058156870 672987316 /nfs/dbraw/zinc/98/73/16/672987316.db2.gz XHCLMHSIVKVIEB-CYBMUJFWSA-N 1 0 331.413 -1.319 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 ZINC001058156871 672987319 /nfs/dbraw/zinc/98/73/19/672987319.db2.gz XHCLMHSIVKVIEB-ZDUSSCGKSA-N 1 0 331.413 -1.319 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156878 672987273 /nfs/dbraw/zinc/98/72/73/672987273.db2.gz XWDWBNURYILUSK-UHFFFAOYSA-N 1 0 332.401 -2.362 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)CCNC(N)=O ZINC001058156885 672987264 /nfs/dbraw/zinc/98/72/64/672987264.db2.gz YAFLXJDQQZNZFF-UHFFFAOYSA-N 1 0 347.416 -2.440 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cc1ccon1 ZINC001058156887 672987313 /nfs/dbraw/zinc/98/73/13/672987313.db2.gz YDUMJMOGCVIMEJ-UHFFFAOYSA-N 1 0 342.396 -1.268 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C1CCOCC1 ZINC001058156893 672987306 /nfs/dbraw/zinc/98/73/06/672987306.db2.gz YFKQHBUCPHZYNU-UHFFFAOYSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)CC(C)(C)O ZINC001058156902 672986355 /nfs/dbraw/zinc/98/63/55/672986355.db2.gz YMZSSRBTFMBADP-UHFFFAOYSA-N 1 0 333.429 -1.337 20 0 EAADRO Cc1cc(C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)[nH]n1 ZINC001058156921 672987132 /nfs/dbraw/zinc/98/71/32/672987132.db2.gz YZSDEYPPMYXTRG-UHFFFAOYSA-N 1 0 341.412 -1.153 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC001058156923 672987122 /nfs/dbraw/zinc/98/71/22/672987122.db2.gz ZAWXBJUDALSXQS-LLVKDONJSA-N 1 0 346.384 -2.390 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001058156924 672987064 /nfs/dbraw/zinc/98/70/64/672987064.db2.gz ZAWXBJUDALSXQS-NSHDSACASA-N 1 0 346.384 -2.390 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C1=CCOCC1 ZINC001058156929 672987092 /nfs/dbraw/zinc/98/70/92/672987092.db2.gz ZKRHFILOJVHKDO-UHFFFAOYSA-N 1 0 343.424 -1.152 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O ZINC001058156939 672987262 /nfs/dbraw/zinc/98/72/62/672987262.db2.gz ZRZMNZCUWNPMKV-UHFFFAOYSA-N 1 0 346.428 -1.987 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058156940 672987073 /nfs/dbraw/zinc/98/70/73/672987073.db2.gz ZUUPJNSXLOZKFF-UHFFFAOYSA-N 1 0 328.373 -2.066 20 0 EAADRO COC[C@@H](C)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156941 672987740 /nfs/dbraw/zinc/98/77/40/672987740.db2.gz ZWMAQLCSMPGHFN-CYBMUJFWSA-N 1 0 333.429 -1.216 20 0 EAADRO COC[C@H](C)C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156942 672987702 /nfs/dbraw/zinc/98/77/02/672987702.db2.gz ZWMAQLCSMPGHFN-ZDUSSCGKSA-N 1 0 333.429 -1.216 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cn1cnnn1 ZINC001058156943 672987628 /nfs/dbraw/zinc/98/76/28/672987628.db2.gz ZXCGGSAODYBSMW-UHFFFAOYSA-N 1 0 343.388 -2.812 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157508 672987679 /nfs/dbraw/zinc/98/76/79/672987679.db2.gz AAUVAFLUBIKDDR-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157509 672987770 /nfs/dbraw/zinc/98/77/70/672987770.db2.gz AAUVAFLUBIKDDR-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157510 672987720 /nfs/dbraw/zinc/98/77/20/672987720.db2.gz AAUVAFLUBIKDDR-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157511 672987655 /nfs/dbraw/zinc/98/76/55/672987655.db2.gz AAUVAFLUBIKDDR-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157527 672987716 /nfs/dbraw/zinc/98/77/16/672987716.db2.gz ALGHFHANXNIPKY-GFCCVEGCSA-N 1 0 344.412 -1.379 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157528 672987708 /nfs/dbraw/zinc/98/77/08/672987708.db2.gz ALGHFHANXNIPKY-LBPRGKRZSA-N 1 0 344.412 -1.379 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001058157551 672987767 /nfs/dbraw/zinc/98/77/67/672987767.db2.gz AVHMBDWZVMLXBB-CHWSQXEVSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001058157552 672987449 /nfs/dbraw/zinc/98/74/49/672987449.db2.gz AVHMBDWZVMLXBB-OLZOCXBDSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001058157553 672987765 /nfs/dbraw/zinc/98/77/65/672987765.db2.gz AVHMBDWZVMLXBB-QWHCGFSZSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001058157554 672987742 /nfs/dbraw/zinc/98/77/42/672987742.db2.gz AVHMBDWZVMLXBB-STQMWFEESA-N 1 0 340.424 -1.599 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058157563 672987552 /nfs/dbraw/zinc/98/75/52/672987552.db2.gz AXVLFCOVKLKSMJ-UHFFFAOYSA-N 1 0 328.373 -2.066 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001058157611 672987760 /nfs/dbraw/zinc/98/77/60/672987760.db2.gz BTGJEGPVUNOVHS-BBRMVZONSA-N 1 0 343.424 -1.462 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001058157635 672987430 /nfs/dbraw/zinc/98/74/30/672987430.db2.gz CWXHDZSRXZAFAD-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001058157636 672987736 /nfs/dbraw/zinc/98/77/36/672987736.db2.gz CWXHDZSRXZAFAD-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157652 672987694 /nfs/dbraw/zinc/98/76/94/672987694.db2.gz DHPZHCNAUHKFOK-NWDGAFQWSA-N 1 0 343.428 -1.678 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157653 672987689 /nfs/dbraw/zinc/98/76/89/672987689.db2.gz DHPZHCNAUHKFOK-RYUDHWBXSA-N 1 0 343.428 -1.678 20 0 EAADRO Cc1n[nH]cc1C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058157711 672987759 /nfs/dbraw/zinc/98/77/59/672987759.db2.gz GLDWAMVUUFVXQF-UHFFFAOYSA-N 1 0 341.412 -1.153 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001058157725 672987722 /nfs/dbraw/zinc/98/77/22/672987722.db2.gz GVHGWZZEVHUPOS-GFCCVEGCSA-N 1 0 344.412 -2.362 20 0 EAADRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001058157726 672987481 /nfs/dbraw/zinc/98/74/81/672987481.db2.gz GVHGWZZEVHUPOS-LBPRGKRZSA-N 1 0 344.412 -2.362 20 0 EAADRO Cn1nncc1C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157729 672987725 /nfs/dbraw/zinc/98/77/25/672987725.db2.gz GYYCWSBHGQMJNJ-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO 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Cn1cncc1CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058159367 672988830 /nfs/dbraw/zinc/98/88/30/672988830.db2.gz GMLGREPZZQHMRA-UHFFFAOYSA-N 1 0 337.424 -1.005 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001058159475 672988668 /nfs/dbraw/zinc/98/86/68/672988668.db2.gz KQDVCEVEQMHBNK-UPJWGTAASA-N 1 0 340.424 -1.613 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001058159476 672988706 /nfs/dbraw/zinc/98/87/06/672988706.db2.gz KQDVCEVEQMHBNK-XQQFMLRXSA-N 1 0 340.424 -1.613 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)C1 ZINC001058159481 672988555 /nfs/dbraw/zinc/98/85/55/672988555.db2.gz KTVNOLWPXASKJI-GFCCVEGCSA-N 1 0 342.440 -1.223 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)C1 ZINC001058159482 672988835 /nfs/dbraw/zinc/98/88/35/672988835.db2.gz KTVNOLWPXASKJI-LBPRGKRZSA-N 1 0 342.440 -1.223 20 0 EAADRO Cn1cncc1CC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058159489 672988640 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CS(=O)(=O)CC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058161918 672989191 /nfs/dbraw/zinc/98/91/91/672989191.db2.gz CSMBFDHJIKCNJA-UHFFFAOYSA-N 1 0 347.437 -1.936 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058161927 672988973 /nfs/dbraw/zinc/98/89/73/672988973.db2.gz DEJIETPGQMVHQX-UHFFFAOYSA-N 1 0 326.397 -1.845 20 0 EAADRO Cn1nncc1C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058161980 672989091 /nfs/dbraw/zinc/98/90/91/672989091.db2.gz GICMGONLRRQHDQ-UHFFFAOYSA-N 1 0 336.396 -1.538 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058162014 672989477 /nfs/dbraw/zinc/98/94/77/672989477.db2.gz HSTLROBJZKXUSE-UHFFFAOYSA-N 1 0 343.424 -1.318 20 0 EAADRO Cn1ccc(CC(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001058162042 672989599 /nfs/dbraw/zinc/98/95/99/672989599.db2.gz IUJJLLLSFXSZTE-UHFFFAOYSA-N 1 0 349.435 -1.005 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058162045 672989528 /nfs/dbraw/zinc/98/95/28/672989528.db2.gz 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O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC(=O)N1 ZINC001058163473 672989499 /nfs/dbraw/zinc/98/94/99/672989499.db2.gz JJHNRQSYQIFSDX-LBPRGKRZSA-N 1 0 338.408 -1.702 20 0 EAADRO O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1cnc[nH]c1=O ZINC001058163545 672989453 /nfs/dbraw/zinc/98/94/53/672989453.db2.gz MFWTYGFFPGLSRG-UHFFFAOYSA-N 1 0 349.391 -1.171 20 0 EAADRO NC(=O)C1(C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001058163584 672989588 /nfs/dbraw/zinc/98/95/88/672989588.db2.gz OAGFLVNHJJNSPM-UHFFFAOYSA-N 1 0 338.408 -1.715 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001058163675 672989464 /nfs/dbraw/zinc/98/94/64/672989464.db2.gz TWFMJQKEUHMZGI-UHFFFAOYSA-N 1 0 337.384 -2.143 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163692 672989620 /nfs/dbraw/zinc/98/96/20/672989620.db2.gz ULUOQFVZDPTOST-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163693 672989581 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O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1cn[nH]c(=O)c1 ZINC001058163848 672989847 /nfs/dbraw/zinc/98/98/47/672989847.db2.gz ZZIKURSVZXCHGI-UHFFFAOYSA-N 1 0 349.391 -1.171 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058165063 672989890 /nfs/dbraw/zinc/98/98/90/672989890.db2.gz ONYZBPLKLYDRQD-UHFFFAOYSA-N 1 0 337.380 -1.426 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CCn1ccnn1)[NH+](C)C ZINC001058168368 672989965 /nfs/dbraw/zinc/98/99/65/672989965.db2.gz BHSYAOQCZCPHKE-ZDUSSCGKSA-N 1 0 340.428 -1.055 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1COCCO1)[NH+](C)C ZINC001058168372 672989849 /nfs/dbraw/zinc/98/98/49/672989849.db2.gz BSAUKDTZQYKFQE-QWHCGFSZSA-N 1 0 331.413 -1.321 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1)[NH+](C)C ZINC001058168373 672990021 /nfs/dbraw/zinc/99/00/21/672990021.db2.gz BSAUKDTZQYKFQE-STQMWFEESA-N 1 0 331.413 -1.321 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CN(C)C(C)=O)[NH+](C)C ZINC001058168375 672989962 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EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](COC)OC)[NH+](C)C ZINC001058168406 672989809 /nfs/dbraw/zinc/98/98/09/672989809.db2.gz CYAFLSGMSUFQTE-STQMWFEESA-N 1 0 333.429 -1.075 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)C1CS(=O)(=O)C1)[NH+](C)C ZINC001058168411 672990488 /nfs/dbraw/zinc/99/04/88/672990488.db2.gz DBYOTVIIMXTZGX-LBPRGKRZSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)NC(C)=O)[NH+](C)C ZINC001058168413 672990597 /nfs/dbraw/zinc/99/05/97/672990597.db2.gz DDAFVQXNODDGQY-AAEUAGOBSA-N 1 0 330.429 -1.212 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)NC(C)=O)[NH+](C)C ZINC001058168414 672990505 /nfs/dbraw/zinc/99/05/05/672990505.db2.gz DDAFVQXNODDGQY-YPMHNXCESA-N 1 0 330.429 -1.212 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)C1(NC(N)=O)CC1)[NH+](C)C ZINC001058168415 672990548 /nfs/dbraw/zinc/99/05/48/672990548.db2.gz DDSTXHJGUVEOSL-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)C(=O)NCC1CC1)[NH+](C)C ZINC001058168429 672990452 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CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1)[NH+](C)C ZINC001058168462 672990447 /nfs/dbraw/zinc/99/04/47/672990447.db2.gz GSDKTFNYEFOBDL-MNOVXSKESA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1)[NH+](C)C ZINC001058168463 672990611 /nfs/dbraw/zinc/99/06/11/672990611.db2.gz GSDKTFNYEFOBDL-QWRGUYRKSA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)Cn1cnnn1)[NH+](C)C ZINC001058168475 672990554 /nfs/dbraw/zinc/99/05/54/672990554.db2.gz HBTSWZRGZMTCEQ-NSHDSACASA-N 1 0 327.389 -2.050 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CN1CN=NC1=O)[NH+](C)C ZINC001058168493 672990219 /nfs/dbraw/zinc/99/02/19/672990219.db2.gz HUFFVXKLOOPILN-NSHDSACASA-N 1 0 342.400 -1.739 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1)[NH+](C)C ZINC001058168502 672990353 /nfs/dbraw/zinc/99/03/53/672990353.db2.gz IIVYONHGRIBTHA-MNOVXSKESA-N 1 0 330.385 -1.628 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1)[NH+](C)C ZINC001058168503 672990574 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CC[C@@H](C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001058168572 672990477 /nfs/dbraw/zinc/99/04/77/672990477.db2.gz LEZIBCUAJXQDKL-NSHDSACASA-N 1 0 328.413 -1.471 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1)[NH+](C)C ZINC001058168590 672990349 /nfs/dbraw/zinc/99/03/49/672990349.db2.gz LSNVIAHPJUJTAU-NEPJUHHUSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001058168591 672990620 /nfs/dbraw/zinc/99/06/20/672990620.db2.gz LSNVIAHPJUJTAU-RYUDHWBXSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CNC(=O)OC)[NH+](C)C ZINC001058168608 672990536 /nfs/dbraw/zinc/99/05/36/672990536.db2.gz MGGAQNQMSSVSBP-NSHDSACASA-N 1 0 332.401 -1.380 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(=O)n(C)o1)[NH+](C)C ZINC001058168621 672990301 /nfs/dbraw/zinc/99/03/01/672990301.db2.gz NDOCSKRGINLYHT-NSHDSACASA-N 1 0 342.396 -1.131 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)N1)[NH+](C)C ZINC001058168634 672990371 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EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1nccnc1N)[NH+](C)C ZINC001058168657 672990386 /nfs/dbraw/zinc/99/03/86/672990386.db2.gz OORXWKZQPRDILC-NSHDSACASA-N 1 0 338.412 -1.050 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1)[NH+](C)C ZINC001058168659 672990346 /nfs/dbraw/zinc/99/03/46/672990346.db2.gz OSWIDFVWCDRTKD-NSHDSACASA-N 1 0 326.401 -1.376 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CCn1cncn1)[NH+](C)C ZINC001058168661 672990238 /nfs/dbraw/zinc/99/02/38/672990238.db2.gz OTXZYLYHEQXGBX-ZDUSSCGKSA-N 1 0 340.428 -1.055 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CN1CCOCC1)[NH+](C)C ZINC001058168662 672990509 /nfs/dbraw/zinc/99/05/09/672990509.db2.gz OWNXVYZOXXBAHZ-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)C1CN(C(C)=O)C1)[NH+](C)C ZINC001058168680 672990472 /nfs/dbraw/zinc/99/04/72/672990472.db2.gz PRNURQYNAYDZSI-AWEZNQCLSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1cnnn1C)[NH+](C)C ZINC001058168705 672990589 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EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1ncn(C)n1)[NH+](C)C ZINC001058168754 672990500 /nfs/dbraw/zinc/99/05/00/672990500.db2.gz TXCXRFGATOCRHV-NSHDSACASA-N 1 0 326.401 -1.294 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CNC(=O)C1CC1)[NH+](C)C ZINC001058168761 672990495 /nfs/dbraw/zinc/99/04/95/672990495.db2.gz UBOFZMCQWAGADW-ZDUSSCGKSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1)[NH+](C)C ZINC001058168767 672990253 /nfs/dbraw/zinc/99/02/53/672990253.db2.gz UHIAUEDNYFJTJJ-OLZOCXBDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001058168768 672990514 /nfs/dbraw/zinc/99/05/14/672990514.db2.gz UHIAUEDNYFJTJJ-STQMWFEESA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001058168779 672990378 /nfs/dbraw/zinc/99/03/78/672990378.db2.gz URGMVSOZNFHBIA-NSHDSACASA-N 1 0 330.429 -1.225 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1)[NH+](C)C ZINC001058168839 672990311 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EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C(=O)N1)[NH+](C)C ZINC001058169574 672990233 /nfs/dbraw/zinc/99/02/33/672990233.db2.gz AHEWQVGFHCHZRZ-NEPJUHHUSA-N 1 0 343.428 -1.713 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)C(=O)N1)[NH+](C)C ZINC001058169575 672990283 /nfs/dbraw/zinc/99/02/83/672990283.db2.gz AHEWQVGFHCHZRZ-RYUDHWBXSA-N 1 0 343.428 -1.713 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1nnn(C)n1)[NH+](C)C ZINC001058169664 672990581 /nfs/dbraw/zinc/99/05/81/672990581.db2.gz DMVHJTORJYEZHE-JTQLQIEISA-N 1 0 327.389 -1.899 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CCCC(N)=O)[NH+](C)C ZINC001058169752 672990210 /nfs/dbraw/zinc/99/02/10/672990210.db2.gz JBKYGANIDYHKLD-LBPRGKRZSA-N 1 0 330.429 -1.081 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)CC(=O)N(C)C)[NH+](C)C ZINC001058169782 672990745 /nfs/dbraw/zinc/99/07/45/672990745.db2.gz KBLAKPAFSBYTER-LBPRGKRZSA-N 1 0 330.429 -1.258 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1)[NH+](C)C ZINC001058169786 672990779 /nfs/dbraw/zinc/99/07/79/672990779.db2.gz KEODZNCFLDZJOT-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1)[NH+](C)C ZINC001058169787 672990759 /nfs/dbraw/zinc/99/07/59/672990759.db2.gz KEODZNCFLDZJOT-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O)[NH+](C)C ZINC001058169819 672991018 /nfs/dbraw/zinc/99/10/18/672991018.db2.gz LTGGYYLIBJUUMF-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O)[NH+](C)C ZINC001058169820 672990815 /nfs/dbraw/zinc/99/08/15/672990815.db2.gz LTGGYYLIBJUUMF-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001058169861 672990952 /nfs/dbraw/zinc/99/09/52/672990952.db2.gz NEAWOOMGZOIRQA-OLZOCXBDSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001058169862 672990809 /nfs/dbraw/zinc/99/08/09/672990809.db2.gz NEAWOOMGZOIRQA-STQMWFEESA-N 1 0 342.440 -1.258 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CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1)[NH+](C)C ZINC001058250795 669076732 /nfs/dbraw/zinc/07/67/32/669076732.db2.gz IVLGGLAMYVCAQN-UONOGXRCSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1COCCO1)[NH+](C)C ZINC001058250796 669076931 /nfs/dbraw/zinc/07/69/31/669076931.db2.gz IVLGGLAMYVCAQN-ZIAGYGMSSA-N 1 0 345.440 -1.075 20 0 EAADRO CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CNC(C)=O ZINC001058250822 669076696 /nfs/dbraw/zinc/07/66/96/669076696.db2.gz JUSLLVUFPZIEDZ-UHFFFAOYSA-N 1 0 330.429 -1.209 20 0 EAADRO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1)[NH+](C)C ZINC001058250826 669077114 /nfs/dbraw/zinc/07/71/14/669077114.db2.gz JZWQUAVPDKWRGS-CQSZACIVSA-N 1 0 340.428 -1.130 20 0 EAADRO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)CNC(N)=O)[NH+](C)C ZINC001058250852 669077204 /nfs/dbraw/zinc/07/72/04/669077204.db2.gz KXQJDUUKOSAQGJ-GFCCVEGCSA-N 1 0 331.417 -1.822 20 0 EAADRO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)c1cnnn1C)[NH+](C)C ZINC001058250878 669076996 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C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058291412 673009584 /nfs/dbraw/zinc/00/95/84/673009584.db2.gz BKKKERNWTZXNMG-GFCCVEGCSA-N 1 0 340.424 -1.469 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058291413 673009359 /nfs/dbraw/zinc/00/93/59/673009359.db2.gz BKKKERNWTZXNMG-LBPRGKRZSA-N 1 0 340.424 -1.469 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058291527 673009770 /nfs/dbraw/zinc/00/97/70/673009770.db2.gz DMYOIXHZBMCYNF-CHWSQXEVSA-N 1 0 342.440 -1.223 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058291528 673009976 /nfs/dbraw/zinc/00/99/76/673009976.db2.gz DMYOIXHZBMCYNF-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058291529 673010062 /nfs/dbraw/zinc/01/00/62/673010062.db2.gz DMYOIXHZBMCYNF-QWHCGFSZSA-N 1 0 342.440 -1.223 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058291530 673009747 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342.440 -1.225 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001058291572 673009699 /nfs/dbraw/zinc/00/96/99/673009699.db2.gz DZOWCBJCQLBRGX-FZMZJTMJSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001058291573 673009823 /nfs/dbraw/zinc/00/98/23/673009823.db2.gz DZOWCBJCQLBRGX-RISCZKNCSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001058291574 673010086 /nfs/dbraw/zinc/01/00/86/673010086.db2.gz DZOWCBJCQLBRGX-SMDDNHRTSA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058291622 673010011 /nfs/dbraw/zinc/01/00/11/673010011.db2.gz GBTFPXMKSCOVID-NEPJUHHUSA-N 1 0 328.413 -1.613 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058291623 673009735 /nfs/dbraw/zinc/00/97/35/673009735.db2.gz GBTFPXMKSCOVID-NWDGAFQWSA-N 1 0 328.413 -1.613 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058291624 673009871 /nfs/dbraw/zinc/00/98/71/673009871.db2.gz GBTFPXMKSCOVID-RYUDHWBXSA-N 1 0 328.413 -1.613 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058291625 673009993 /nfs/dbraw/zinc/00/99/93/673009993.db2.gz GBTFPXMKSCOVID-VXGBXAGGSA-N 1 0 328.413 -1.613 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058291665 673010020 /nfs/dbraw/zinc/01/00/20/673010020.db2.gz HCFRCUIUUXKWTN-GFCCVEGCSA-N 1 0 328.413 -1.469 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058291666 673009933 /nfs/dbraw/zinc/00/99/33/673009933.db2.gz HCFRCUIUUXKWTN-LBPRGKRZSA-N 1 0 328.413 -1.469 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001058291908 673010857 /nfs/dbraw/zinc/01/08/57/673010857.db2.gz MSSPJJPVLPMBQQ-JHJVBQTASA-N 1 0 342.440 -1.225 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001058291909 673010602 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/nfs/dbraw/zinc/01/23/59/673012359.db2.gz FEFVIORLONTILM-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058293858 673012274 /nfs/dbraw/zinc/01/22/74/673012274.db2.gz FEFVIORLONTILM-QWHCGFSZSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058293859 673012574 /nfs/dbraw/zinc/01/25/74/673012574.db2.gz FEFVIORLONTILM-STQMWFEESA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001058294020 673012440 /nfs/dbraw/zinc/01/24/40/673012440.db2.gz GYIKHIXWIYJTPW-CHWSQXEVSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001058294021 673012561 /nfs/dbraw/zinc/01/25/61/673012561.db2.gz GYIKHIXWIYJTPW-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058294022 673012299 /nfs/dbraw/zinc/01/22/99/673012299.db2.gz GYIKHIXWIYJTPW-QWHCGFSZSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058294023 673012428 /nfs/dbraw/zinc/01/24/28/673012428.db2.gz GYIKHIXWIYJTPW-STQMWFEESA-N 1 0 342.440 -1.223 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001058294067 673012897 /nfs/dbraw/zinc/01/28/97/673012897.db2.gz HQQWIPZVZBHEEF-CHWSQXEVSA-N 1 0 342.440 -1.225 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001058294068 673012956 /nfs/dbraw/zinc/01/29/56/673012956.db2.gz HQQWIPZVZBHEEF-OLZOCXBDSA-N 1 0 342.440 -1.225 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058294069 673012709 /nfs/dbraw/zinc/01/27/09/673012709.db2.gz HQQWIPZVZBHEEF-QWHCGFSZSA-N 1 0 342.440 -1.225 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058294070 673012752 /nfs/dbraw/zinc/01/27/52/673012752.db2.gz HQQWIPZVZBHEEF-STQMWFEESA-N 1 0 342.440 -1.225 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001058294109 673012974 /nfs/dbraw/zinc/01/29/74/673012974.db2.gz IOMFMDOAEPSCKK-CHWSQXEVSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001058294110 673012819 /nfs/dbraw/zinc/01/28/19/673012819.db2.gz IOMFMDOAEPSCKK-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058294111 673012852 /nfs/dbraw/zinc/01/28/52/673012852.db2.gz IOMFMDOAEPSCKK-QWHCGFSZSA-N 1 0 342.440 -1.223 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058294112 673012908 /nfs/dbraw/zinc/01/29/08/673012908.db2.gz IOMFMDOAEPSCKK-STQMWFEESA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001058294159 673012864 /nfs/dbraw/zinc/01/28/64/673012864.db2.gz JPZHRTBFYSETMO-NEPJUHHUSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058294160 673013020 /nfs/dbraw/zinc/01/30/20/673013020.db2.gz JPZHRTBFYSETMO-NWDGAFQWSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058294161 673012804 /nfs/dbraw/zinc/01/28/04/673012804.db2.gz JPZHRTBFYSETMO-RYUDHWBXSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001058294162 673012764 /nfs/dbraw/zinc/01/27/64/673012764.db2.gz JPZHRTBFYSETMO-VXGBXAGGSA-N 1 0 328.413 -1.613 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001058294185 673012843 /nfs/dbraw/zinc/01/28/43/673012843.db2.gz KCWLXKFLSPVJLX-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058294186 673012782 /nfs/dbraw/zinc/01/27/82/673012782.db2.gz KCWLXKFLSPVJLX-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001058294187 673012808 /nfs/dbraw/zinc/01/28/08/673012808.db2.gz KCWLXKFLSPVJLX-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058294188 673012728 /nfs/dbraw/zinc/01/27/28/673012728.db2.gz KCWLXKFLSPVJLX-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001058294341 673013171 /nfs/dbraw/zinc/01/31/71/673013171.db2.gz LPMINWSUEFFAQP-CHWSQXEVSA-N 1 0 342.440 -1.223 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001058294342 673013159 /nfs/dbraw/zinc/01/31/59/673013159.db2.gz LPMINWSUEFFAQP-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058294343 673013182 /nfs/dbraw/zinc/01/31/82/673013182.db2.gz LPMINWSUEFFAQP-QWHCGFSZSA-N 1 0 342.440 -1.223 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058294344 673013240 /nfs/dbraw/zinc/01/32/40/673013240.db2.gz LPMINWSUEFFAQP-STQMWFEESA-N 1 0 342.440 -1.223 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058294454 673013691 /nfs/dbraw/zinc/01/36/91/673013691.db2.gz NLRKJRLVHKKIFF-CHWSQXEVSA-N 1 0 340.424 -1.469 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058294455 673013571 /nfs/dbraw/zinc/01/35/71/673013571.db2.gz NLRKJRLVHKKIFF-OLZOCXBDSA-N 1 0 340.424 -1.469 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058294456 673013649 /nfs/dbraw/zinc/01/36/49/673013649.db2.gz NLRKJRLVHKKIFF-QWHCGFSZSA-N 1 0 340.424 -1.469 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058294457 673013642 /nfs/dbraw/zinc/01/36/42/673013642.db2.gz NLRKJRLVHKKIFF-STQMWFEESA-N 1 0 340.424 -1.469 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001058294701 673013826 /nfs/dbraw/zinc/01/38/26/673013826.db2.gz REPYUKJNVSPGRK-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001058294702 673014066 /nfs/dbraw/zinc/01/40/66/673014066.db2.gz REPYUKJNVSPGRK-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](C)CC(N)=O ZINC001058295022 673014652 /nfs/dbraw/zinc/01/46/52/673014652.db2.gz XBQQNQAOQBTCJN-GFCCVEGCSA-N 1 0 330.429 -1.225 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H](C)CC(N)=O ZINC001058295023 673014857 /nfs/dbraw/zinc/01/48/57/673014857.db2.gz XBQQNQAOQBTCJN-LBPRGKRZSA-N 1 0 330.429 -1.225 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001058296172 673015081 /nfs/dbraw/zinc/01/50/81/673015081.db2.gz BDGNTGVPBBWKKV-GFCCVEGCSA-N 1 0 338.408 -1.845 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001058296173 673015204 /nfs/dbraw/zinc/01/52/04/673015204.db2.gz BDGNTGVPBBWKKV-LBPRGKRZSA-N 1 0 338.408 -1.845 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O)[NH+](C)C ZINC001058296286 673015748 /nfs/dbraw/zinc/01/57/48/673015748.db2.gz FAJCOWLPOAMEGL-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O)[NH+](C)C ZINC001058296287 673015572 /nfs/dbraw/zinc/01/55/72/673015572.db2.gz FAJCOWLPOAMEGL-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O)[NH+](C)C ZINC001058296288 673015608 /nfs/dbraw/zinc/01/56/08/673015608.db2.gz FAJCOWLPOAMEGL-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O)[NH+](C)C ZINC001058296289 673015550 /nfs/dbraw/zinc/01/55/50/673015550.db2.gz FAJCOWLPOAMEGL-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001058296313 673015840 /nfs/dbraw/zinc/01/58/40/673015840.db2.gz FJTVBNJEPCYADG-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001058296314 673015792 /nfs/dbraw/zinc/01/57/92/673015792.db2.gz FJTVBNJEPCYADG-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2CCNC2=O)CC1 ZINC001058296359 673015818 /nfs/dbraw/zinc/01/58/18/673015818.db2.gz GMQMGYQHYFQTIZ-CYBMUJFWSA-N 1 0 340.424 -1.599 20 0 EAADRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)[C@H]2CCNC2=O)CC1 ZINC001058296360 673015895 /nfs/dbraw/zinc/01/58/95/673015895.db2.gz GMQMGYQHYFQTIZ-ZDUSSCGKSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2CCNC2=O)C1 ZINC001058296576 673016643 /nfs/dbraw/zinc/01/66/43/673016643.db2.gz LVJAOPZVMLRLQR-CHWSQXEVSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@H]2CCNC2=O)C1 ZINC001058296577 673016481 /nfs/dbraw/zinc/01/64/81/673016481.db2.gz LVJAOPZVMLRLQR-OLZOCXBDSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2CCNC2=O)C1 ZINC001058296578 673016711 /nfs/dbraw/zinc/01/67/11/673016711.db2.gz LVJAOPZVMLRLQR-QWHCGFSZSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@H]2CCNC2=O)C1 ZINC001058296579 673016417 /nfs/dbraw/zinc/01/64/17/673016417.db2.gz LVJAOPZVMLRLQR-STQMWFEESA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001058296585 673016625 /nfs/dbraw/zinc/01/66/25/673016625.db2.gz MDSSNMPHVKUKFR-NEPJUHHUSA-N 1 0 326.397 -1.846 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001058296586 673016374 /nfs/dbraw/zinc/01/63/74/673016374.db2.gz MDSSNMPHVKUKFR-NWDGAFQWSA-N 1 0 326.397 -1.846 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001058296587 673016392 /nfs/dbraw/zinc/01/63/92/673016392.db2.gz MDSSNMPHVKUKFR-RYUDHWBXSA-N 1 0 326.397 -1.846 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001058296588 673016751 /nfs/dbraw/zinc/01/67/51/673016751.db2.gz MDSSNMPHVKUKFR-VXGBXAGGSA-N 1 0 326.397 -1.846 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001058296613 673016518 /nfs/dbraw/zinc/01/65/18/673016518.db2.gz MVTBZAOULHJINM-GFCCVEGCSA-N 1 0 344.412 -2.362 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001058296614 673016766 /nfs/dbraw/zinc/01/67/66/673016766.db2.gz MVTBZAOULHJINM-LBPRGKRZSA-N 1 0 344.412 -2.362 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O)C1CCC1 ZINC001058296644 673016438 /nfs/dbraw/zinc/01/64/38/673016438.db2.gz NXHOBWLGISHZAK-CYBMUJFWSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O)C1CCC1 ZINC001058296645 673016730 /nfs/dbraw/zinc/01/67/30/673016730.db2.gz NXHOBWLGISHZAK-ZDUSSCGKSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O)[NH+](C)C ZINC001058297007 673017741 /nfs/dbraw/zinc/01/77/41/673017741.db2.gz VVENYTXZVNXFPJ-CHWSQXEVSA-N 1 0 342.440 -1.354 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O)[NH+](C)C ZINC001058297008 673017946 /nfs/dbraw/zinc/01/79/46/673017946.db2.gz VVENYTXZVNXFPJ-OLZOCXBDSA-N 1 0 342.440 -1.354 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O)[NH+](C)C ZINC001058297009 673017712 /nfs/dbraw/zinc/01/77/12/673017712.db2.gz VVENYTXZVNXFPJ-QWHCGFSZSA-N 1 0 342.440 -1.354 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O)[NH+](C)C ZINC001058297010 673017664 /nfs/dbraw/zinc/01/76/64/673017664.db2.gz VVENYTXZVNXFPJ-STQMWFEESA-N 1 0 342.440 -1.354 20 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PJTPWQDVFJJGRO-LLVKDONJSA-N 1 0 339.400 -1.897 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001058421996 673039059 /nfs/dbraw/zinc/03/90/59/673039059.db2.gz PJTPWQDVFJJGRO-NSHDSACASA-N 1 0 339.400 -1.897 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001058422025 673039008 /nfs/dbraw/zinc/03/90/08/673039008.db2.gz QHBGWLAQNNLDOG-UHFFFAOYSA-N 1 0 339.400 -1.897 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422032 673038827 /nfs/dbraw/zinc/03/88/27/673038827.db2.gz QNTVHVWGLBZWLF-UHFFFAOYSA-N 1 0 327.389 -1.897 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001058422058 673039611 /nfs/dbraw/zinc/03/96/11/673039611.db2.gz RIWXFRWMTOMGAJ-LLVKDONJSA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001058422059 673039363 /nfs/dbraw/zinc/03/93/63/673039363.db2.gz RIWXFRWMTOMGAJ-NSHDSACASA-N 1 0 339.400 -1.899 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422075 673039476 /nfs/dbraw/zinc/03/94/76/673039476.db2.gz RSCHYXOTNWTZKQ-UHFFFAOYSA-N 1 0 327.389 -1.897 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001058422102 673039607 /nfs/dbraw/zinc/03/96/07/673039607.db2.gz SXENYTWPKBQOBV-UHFFFAOYSA-N 1 0 337.384 -2.143 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)c1nnn(C)n1)[NH+](C)C ZINC001058422104 673039632 /nfs/dbraw/zinc/03/96/32/673039632.db2.gz TTYMQKRNXVOMLZ-JTQLQIEISA-N 1 0 327.389 -1.899 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)c1nnn(C)n1)[NH+](C)C ZINC001058422105 673039584 /nfs/dbraw/zinc/03/95/84/673039584.db2.gz TTYMQKRNXVOMLZ-SNVBAGLBSA-N 1 0 327.389 -1.899 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422109 673039540 /nfs/dbraw/zinc/03/95/40/673039540.db2.gz TZDVMTOBTLPUGH-UHFFFAOYSA-N 1 0 327.389 -1.899 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422119 673039333 /nfs/dbraw/zinc/03/93/33/673039333.db2.gz UPKBCEQILLOMRT-UHFFFAOYSA-N 1 0 327.389 -1.897 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422161 673039479 /nfs/dbraw/zinc/03/94/79/673039479.db2.gz WNBGCVIYSSBOHU-GHMZBOCLSA-N 1 0 339.400 -2.042 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422162 673039636 /nfs/dbraw/zinc/03/96/36/673039636.db2.gz WNBGCVIYSSBOHU-MNOVXSKESA-N 1 0 339.400 -2.042 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422163 673039265 /nfs/dbraw/zinc/03/92/65/673039265.db2.gz WNBGCVIYSSBOHU-QWRGUYRKSA-N 1 0 339.400 -2.042 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058422164 673039495 /nfs/dbraw/zinc/03/94/95/673039495.db2.gz WNBGCVIYSSBOHU-WDEREUQCSA-N 1 0 339.400 -2.042 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001058422232 673039730 /nfs/dbraw/zinc/03/97/30/673039730.db2.gz YGBZSPOEVSMHTN-UHFFFAOYSA-N 1 0 339.400 -1.755 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1C ZINC001058422246 673039694 /nfs/dbraw/zinc/03/96/94/673039694.db2.gz YZCSIEWOUTYENK-ZDUSSCGKSA-N 1 0 342.440 -1.116 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001058423204 673040023 /nfs/dbraw/zinc/04/00/23/673040023.db2.gz AGTSCIVTMHMXFM-JTQLQIEISA-N 1 0 325.373 -2.288 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001058423205 673040027 /nfs/dbraw/zinc/04/00/27/673040027.db2.gz AGTSCIVTMHMXFM-SNVBAGLBSA-N 1 0 325.373 -2.288 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001058423380 673040266 /nfs/dbraw/zinc/04/02/66/673040266.db2.gz DIZWRBHRZWUGRQ-LLVKDONJSA-N 1 0 339.400 -1.755 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001058424427 673040280 /nfs/dbraw/zinc/04/02/80/673040280.db2.gz YKVTVQRKUPRSRI-UHFFFAOYSA-N 1 0 341.416 -1.509 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)n1 ZINC001058424453 673040801 /nfs/dbraw/zinc/04/08/01/673040801.db2.gz ZJRRTEIVOIJSGD-UHFFFAOYSA-N 1 0 325.373 -2.143 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001058445997 673041549 /nfs/dbraw/zinc/04/15/49/673041549.db2.gz KSPWYYYRMYHLFX-RFQIPJPRSA-N 1 0 325.409 -1.090 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001058445998 673041478 /nfs/dbraw/zinc/04/14/78/673041478.db2.gz KSPWYYYRMYHLFX-RQJABVFESA-N 1 0 325.409 -1.090 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001058447643 673041702 /nfs/dbraw/zinc/04/17/02/673041702.db2.gz COHAHMXWKCAWCX-NHAGDIPZSA-N 1 0 343.424 -1.606 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C12CC[NH+](CC1)C2 ZINC001058448146 673041930 /nfs/dbraw/zinc/04/19/30/673041930.db2.gz XEOJXTTZTFCIJC-WDNDVIMCSA-N 1 0 337.420 -1.088 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001058450958 673042488 /nfs/dbraw/zinc/04/24/88/673042488.db2.gz GBEZCEJDQKWGBP-IGQOVBAYSA-N 1 0 325.409 -1.232 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001058450959 673042199 /nfs/dbraw/zinc/04/21/99/673042199.db2.gz GBEZCEJDQKWGBP-MQYQWHSLSA-N 1 0 325.409 -1.232 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001058450967 673042371 /nfs/dbraw/zinc/04/23/71/673042371.db2.gz GHWGAGNWDGWAHF-CHWSQXEVSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001058450968 673042463 /nfs/dbraw/zinc/04/24/63/673042463.db2.gz GHWGAGNWDGWAHF-OLZOCXBDSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001058450969 673042402 /nfs/dbraw/zinc/04/24/02/673042402.db2.gz GHWGAGNWDGWAHF-QWHCGFSZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001058450970 673042502 /nfs/dbraw/zinc/04/25/02/673042502.db2.gz GHWGAGNWDGWAHF-STQMWFEESA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001058451280 673043102 /nfs/dbraw/zinc/04/31/02/673043102.db2.gz PNMZRNLQJLHPMH-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001058451281 673043034 /nfs/dbraw/zinc/04/30/34/673043034.db2.gz PNMZRNLQJLHPMH-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001058451297 673043021 /nfs/dbraw/zinc/04/30/21/673043021.db2.gz PYSDAPXHVXSPMS-NHAGDIPZSA-N 1 0 325.409 -1.088 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001058451438 673043008 /nfs/dbraw/zinc/04/30/08/673043008.db2.gz UFJIPCIRELEYNO-CHWSQXEVSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001058451439 673043272 /nfs/dbraw/zinc/04/32/72/673043272.db2.gz UFJIPCIRELEYNO-OLZOCXBDSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001058451440 673043327 /nfs/dbraw/zinc/04/33/27/673043327.db2.gz UFJIPCIRELEYNO-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001058451441 673043080 /nfs/dbraw/zinc/04/30/80/673043080.db2.gz UFJIPCIRELEYNO-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001058453046 673044010 /nfs/dbraw/zinc/04/40/10/673044010.db2.gz GWBKGUMUROYXNP-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CN1CC[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001058453047 673044043 /nfs/dbraw/zinc/04/40/43/673044043.db2.gz GWBKGUMUROYXNP-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001058453377 673044323 /nfs/dbraw/zinc/04/43/23/673044323.db2.gz OBRNQPJGJWNTBB-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001058453378 673044449 /nfs/dbraw/zinc/04/44/49/673044449.db2.gz OBRNQPJGJWNTBB-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1=O ZINC001058453612 673044420 /nfs/dbraw/zinc/04/44/20/673044420.db2.gz UWMKFDCQYUEOBT-GFCCVEGCSA-N 1 0 328.413 -1.647 20 0 EAADRO CN1CC[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1=O ZINC001058453613 673044515 /nfs/dbraw/zinc/04/45/15/673044515.db2.gz UWMKFDCQYUEOBT-LBPRGKRZSA-N 1 0 328.413 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001058453620 673044502 /nfs/dbraw/zinc/04/45/02/673044502.db2.gz UZMUORFRFVTLNT-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001058453621 673044440 /nfs/dbraw/zinc/04/44/40/673044440.db2.gz UZMUORFRFVTLNT-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001058453671 673044520 /nfs/dbraw/zinc/04/45/20/673044520.db2.gz VTCJJVZCFQYYOP-CYBMUJFWSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001058453672 673044455 /nfs/dbraw/zinc/04/44/55/673044455.db2.gz VTCJJVZCFQYYOP-ZDUSSCGKSA-N 1 0 342.440 -1.258 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001058453686 673044913 /nfs/dbraw/zinc/04/49/13/673044913.db2.gz WDAMWHTYRZBXNQ-CHWSQXEVSA-N 1 0 340.424 -1.647 20 0 EAADRO CN1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001058453687 673044903 /nfs/dbraw/zinc/04/49/03/673044903.db2.gz WDAMWHTYRZBXNQ-OLZOCXBDSA-N 1 0 340.424 -1.647 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001058453688 673044845 /nfs/dbraw/zinc/04/48/45/673044845.db2.gz WDAMWHTYRZBXNQ-QWHCGFSZSA-N 1 0 340.424 -1.647 20 0 EAADRO CN1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001058453689 673044789 /nfs/dbraw/zinc/04/47/89/673044789.db2.gz WDAMWHTYRZBXNQ-STQMWFEESA-N 1 0 340.424 -1.647 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001058453723 673044939 /nfs/dbraw/zinc/04/49/39/673044939.db2.gz WSNIYMSSNDRDAE-CYBMUJFWSA-N 1 0 340.424 -1.502 20 0 EAADRO CN1CC[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001058453724 673044825 /nfs/dbraw/zinc/04/48/25/673044825.db2.gz WSNIYMSSNDRDAE-ZDUSSCGKSA-N 1 0 340.424 -1.502 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058476647 673045137 /nfs/dbraw/zinc/04/51/37/673045137.db2.gz BBPLIKMENPCNBR-UHFFFAOYSA-N 1 0 339.396 -1.007 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001058478623 673045169 /nfs/dbraw/zinc/04/51/69/673045169.db2.gz JPPUEHJQPFBMHV-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001058478624 673045235 /nfs/dbraw/zinc/04/52/35/673045235.db2.gz JPPUEHJQPFBMHV-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058480430 673045875 /nfs/dbraw/zinc/04/58/75/673045875.db2.gz LMANBYIXUNSYDJ-CYBMUJFWSA-N 1 0 342.440 -1.079 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058480431 673045934 /nfs/dbraw/zinc/04/59/34/673045934.db2.gz LMANBYIXUNSYDJ-ZDUSSCGKSA-N 1 0 342.440 -1.079 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058480719 673045854 /nfs/dbraw/zinc/04/58/54/673045854.db2.gz XVVONUIMLQILNN-GFCCVEGCSA-N 1 0 328.413 -1.469 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058480720 673045690 /nfs/dbraw/zinc/04/56/90/673045690.db2.gz XVVONUIMLQILNN-LBPRGKRZSA-N 1 0 328.413 -1.469 20 0 EAADRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)Cc1cnoc1 ZINC001058481819 673045714 /nfs/dbraw/zinc/04/57/14/673045714.db2.gz BGTNVAQXAMJVOF-UHFFFAOYSA-N 1 0 342.396 -1.268 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001058483464 673046524 /nfs/dbraw/zinc/04/65/24/673046524.db2.gz KBGUSMCZVDVFRT-CHWSQXEVSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001058483465 673046641 /nfs/dbraw/zinc/04/66/41/673046641.db2.gz KBGUSMCZVDVFRT-QWHCGFSZSA-N 1 0 340.424 -1.362 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058484692 668066958 /nfs/dbraw/zinc/06/69/58/668066958.db2.gz ASPSSJNAKBZKFC-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058484744 668067232 /nfs/dbraw/zinc/06/72/32/668067232.db2.gz CXUXYJYOWIFAMN-CHWSQXEVSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058484745 668066947 /nfs/dbraw/zinc/06/69/47/668066947.db2.gz CXUXYJYOWIFAMN-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058484776 668067165 /nfs/dbraw/zinc/06/71/65/668067165.db2.gz FEYRFQVJTGEDSR-CYBMUJFWSA-N 1 0 340.424 -1.360 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1C ZINC001058484822 668067282 /nfs/dbraw/zinc/06/72/82/668067282.db2.gz HLLHCAIRTHIQJJ-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1C ZINC001058484870 668067371 /nfs/dbraw/zinc/06/73/71/668067371.db2.gz JPUZKBYGGPTTFD-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO 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CCNC(=O)CC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058600364 668712033 /nfs/dbraw/zinc/71/20/33/668712033.db2.gz VCTFYXFCDUMBFT-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058600402 668712086 /nfs/dbraw/zinc/71/20/86/668712086.db2.gz WNNNXHNCLFXZBT-UHFFFAOYSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058600462 668712057 /nfs/dbraw/zinc/71/20/57/668712057.db2.gz YPAISAFQJUVFBY-UHFFFAOYSA-N 1 0 326.353 -1.623 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058600466 668712076 /nfs/dbraw/zinc/71/20/76/668712076.db2.gz YQILHOIKENLMDT-UHFFFAOYSA-N 1 0 344.412 -1.379 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@H]2COCCO2)CC1 ZINC001058600474 668712143 /nfs/dbraw/zinc/71/21/43/668712143.db2.gz ZCUBLZZSCCTKBZ-CYBMUJFWSA-N 1 0 343.424 -1.319 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2COCCO2)CC1 ZINC001058600475 668711919 /nfs/dbraw/zinc/71/19/19/668711919.db2.gz 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ZINC001058601507 668715723 /nfs/dbraw/zinc/71/57/23/668715723.db2.gz FHYILRIDRIFUIF-UHFFFAOYSA-N 1 0 340.424 -1.469 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058601534 668716175 /nfs/dbraw/zinc/71/61/75/668716175.db2.gz GKIYHLXXNJTEQE-UHFFFAOYSA-N 1 0 339.396 -1.338 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058601560 668716186 /nfs/dbraw/zinc/71/61/86/668716186.db2.gz HNHYZSPOYVGWDJ-UHFFFAOYSA-N 1 0 337.380 -1.584 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)CCNC(N)=O)CC1 ZINC001058601594 668714655 /nfs/dbraw/zinc/71/46/55/668714655.db2.gz IXHPBARIAUBSOS-UHFFFAOYSA-N 1 0 343.428 -1.676 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001058601627 668714784 /nfs/dbraw/zinc/71/47/84/668714784.db2.gz KGULKDQTLGIDMV-NEPJUHHUSA-N 1 0 340.424 -1.613 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001058601635 668714807 /nfs/dbraw/zinc/71/48/07/668714807.db2.gz KQIDMCRPESKELK-LLVKDONJSA-N 1 0 337.380 -1.728 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001058601636 668714737 /nfs/dbraw/zinc/71/47/37/668714737.db2.gz KQIDMCRPESKELK-NSHDSACASA-N 1 0 337.380 -1.728 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001058601654 668714814 /nfs/dbraw/zinc/71/48/14/668714814.db2.gz LKJIIWHIVUZKPI-GFCCVEGCSA-N 1 0 340.424 -1.599 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001058601655 668714801 /nfs/dbraw/zinc/71/48/01/668714801.db2.gz LKJIIWHIVUZKPI-LBPRGKRZSA-N 1 0 340.424 -1.599 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001058601661 668714752 /nfs/dbraw/zinc/71/47/52/668714752.db2.gz LPXJXVLFTLDGFE-LLVKDONJSA-N 1 0 341.412 -2.053 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001058601662 668714786 /nfs/dbraw/zinc/71/47/86/668714786.db2.gz LPXJXVLFTLDGFE-NSHDSACASA-N 1 0 341.412 -2.053 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)CCCC(N)=O)CC1 ZINC001058601672 668715316 /nfs/dbraw/zinc/71/53/16/668715316.db2.gz LWTAFRHMTGHOSI-UHFFFAOYSA-N 1 0 342.440 -1.079 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601770 668715095 /nfs/dbraw/zinc/71/50/95/668715095.db2.gz PJCIHRWTFSOWGP-UHFFFAOYSA-N 1 0 342.440 -1.256 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)Cn2cncn2)CC1 ZINC001058601820 668714638 /nfs/dbraw/zinc/71/46/38/668714638.db2.gz QZTSJQFSPSWYDD-UHFFFAOYSA-N 1 0 338.412 -1.443 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)Cc2nc[nH]n2)CC1 ZINC001058601844 668716104 /nfs/dbraw/zinc/71/61/04/668716104.db2.gz RYFPXBAVZMWLGX-UHFFFAOYSA-N 1 0 338.412 -1.374 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)c2cnon2)CC1 ZINC001058601910 668716642 /nfs/dbraw/zinc/71/66/42/668716642.db2.gz UQWZBKINNYFVQV-UHFFFAOYSA-N 1 0 325.369 -1.038 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)C2(C[NH+](C)C)CC2)n1 ZINC001058601915 668716842 /nfs/dbraw/zinc/71/68/42/668716842.db2.gz USIBERNMDGDWLF-UHFFFAOYSA-N 1 0 339.400 -1.897 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058601918 668716736 /nfs/dbraw/zinc/71/67/36/668716736.db2.gz UTHZGQJMZFKPJP-UHFFFAOYSA-N 1 0 339.396 -1.339 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601953 668716565 /nfs/dbraw/zinc/71/65/65/668716565.db2.gz WASFCGZEOHOEDC-GFCCVEGCSA-N 1 0 342.440 -1.223 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601954 668716671 /nfs/dbraw/zinc/71/66/71/668716671.db2.gz WASFCGZEOHOEDC-LBPRGKRZSA-N 1 0 342.440 -1.223 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601995 668716765 /nfs/dbraw/zinc/71/67/65/668716765.db2.gz XMHJRSDCACIKOY-UHFFFAOYSA-N 1 0 343.428 -1.806 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)Cn2nccn2)CC1 ZINC001058602051 668716577 /nfs/dbraw/zinc/71/65/77/668716577.db2.gz ZHYOUFJNNCOPJK-UHFFFAOYSA-N 1 0 338.412 -1.443 20 0 EAADRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)CC1 ZINC001058602061 668716769 /nfs/dbraw/zinc/71/67/69/668716769.db2.gz ZQXKZKQVHRRLQQ-UHFFFAOYSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058602939 668721370 /nfs/dbraw/zinc/72/13/70/668721370.db2.gz BAEDZPUBXQDEIV-UHFFFAOYSA-N 1 0 339.396 -1.338 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058603012 668721075 /nfs/dbraw/zinc/72/10/75/668721075.db2.gz DONBMJKVWOQGAT-UHFFFAOYSA-N 1 0 325.369 -1.728 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1)[NH+](C)C ZINC001058603196 668721797 /nfs/dbraw/zinc/72/17/97/668721797.db2.gz LXWUHEDYAXNWSD-GFCCVEGCSA-N 1 0 339.396 -1.339 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1)[NH+](C)C ZINC001058603197 668721894 /nfs/dbraw/zinc/72/18/94/668721894.db2.gz LXWUHEDYAXNWSD-LBPRGKRZSA-N 1 0 339.396 -1.339 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058603432 668722789 /nfs/dbraw/zinc/72/27/89/668722789.db2.gz WNVOWNYQZLQRGH-GFCCVEGCSA-N 1 0 337.380 -1.585 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058603433 668722806 /nfs/dbraw/zinc/72/28/06/668722806.db2.gz WNVOWNYQZLQRGH-LBPRGKRZSA-N 1 0 337.380 -1.585 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058603503 668722931 /nfs/dbraw/zinc/72/29/31/668722931.db2.gz ZLVUMLURELFHOU-UHFFFAOYSA-N 1 0 339.396 -1.338 20 0 EAADRO O=C(NCCN(CCO)C(=O)c1c[nH]c(=O)cn1)C12CC[NH+](CC1)C2 ZINC001058603515 668722946 /nfs/dbraw/zinc/72/29/46/668722946.db2.gz ZTUOWQIKCGWDEN-UHFFFAOYSA-N 1 0 349.391 -1.584 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001058604655 668731277 /nfs/dbraw/zinc/73/12/77/668731277.db2.gz HQJKZBJTUPCXHN-UHFFFAOYSA-N 1 0 339.396 -1.338 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)Cn1cnnn1 ZINC001058606012 668738685 /nfs/dbraw/zinc/73/86/85/668738685.db2.gz CHHBLZLYUZGYFU-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058606148 668739154 /nfs/dbraw/zinc/73/91/54/668739154.db2.gz IWQGKIDWIOBOPT-GFCCVEGCSA-N 1 0 330.429 -1.210 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058606149 668739176 /nfs/dbraw/zinc/73/91/76/668739176.db2.gz IWQGKIDWIOBOPT-LBPRGKRZSA-N 1 0 330.429 -1.210 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CCn1cncn1 ZINC001058606179 668739179 /nfs/dbraw/zinc/73/91/79/668739179.db2.gz KDBKTDLYFWODSN-UHFFFAOYSA-N 1 0 340.428 -1.053 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CN1CCCC1=O ZINC001058606338 668739152 /nfs/dbraw/zinc/73/91/52/668739152.db2.gz QVIKMDHVADWWRA-UHFFFAOYSA-N 1 0 342.440 -1.112 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607427 668740268 /nfs/dbraw/zinc/74/02/68/668740268.db2.gz AINHPAVZQKMTQO-UHFFFAOYSA-N 1 0 332.401 -1.379 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607429 668740250 /nfs/dbraw/zinc/74/02/50/668740250.db2.gz AKPPTNMGAHLPKL-UHFFFAOYSA-N 1 0 330.429 -1.209 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607435 668740236 /nfs/dbraw/zinc/74/02/36/668740236.db2.gz AQGHSEUNVIBZSV-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607441 668740383 /nfs/dbraw/zinc/74/03/83/668740383.db2.gz ATWVFULPCCBWCW-UHFFFAOYSA-N 1 0 330.429 -1.256 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001058607511 668740311 /nfs/dbraw/zinc/74/03/11/668740311.db2.gz DMYMGMJHXRTWQS-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001058607512 668740415 /nfs/dbraw/zinc/74/04/15/668740415.db2.gz DMYMGMJHXRTWQS-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CCNC(N)=O ZINC001058607555 668740279 /nfs/dbraw/zinc/74/02/79/668740279.db2.gz FPRSTRBIWVUIMN-UHFFFAOYSA-N 1 0 331.417 -1.676 20 0 EAADRO CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607611 668740330 /nfs/dbraw/zinc/74/03/30/668740330.db2.gz IDDUJTNKLLDVLB-UHFFFAOYSA-N 1 0 330.429 -1.256 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001058607693 668740755 /nfs/dbraw/zinc/74/07/55/668740755.db2.gz KTGZXVJBLASUGJ-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001058607694 668741000 /nfs/dbraw/zinc/74/10/00/668741000.db2.gz KTGZXVJBLASUGJ-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607721 668740989 /nfs/dbraw/zinc/74/09/89/668740989.db2.gz LOPAKAIATNRPJP-CYBMUJFWSA-N 1 0 333.429 -1.073 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607722 668740992 /nfs/dbraw/zinc/74/09/92/668740992.db2.gz LOPAKAIATNRPJP-ZDUSSCGKSA-N 1 0 333.429 -1.073 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CS(C)(=O)=O ZINC001058607732 668741009 /nfs/dbraw/zinc/74/10/09/668741009.db2.gz LWKWBYZREGXASE-UHFFFAOYSA-N 1 0 337.442 -1.690 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 ZINC001058607735 668740949 /nfs/dbraw/zinc/74/09/49/668740949.db2.gz MBTODAHHNDVJMP-UHFFFAOYSA-N 1 0 326.401 -1.374 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001058607762 668740396 /nfs/dbraw/zinc/74/03/96/668740396.db2.gz NIQBBZFWYPLRIM-CHWSQXEVSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001058607763 668740376 /nfs/dbraw/zinc/74/03/76/668740376.db2.gz NIQBBZFWYPLRIM-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058607764 668740190 /nfs/dbraw/zinc/74/01/90/668740190.db2.gz NIQBBZFWYPLRIM-QWHCGFSZSA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058607765 668740183 /nfs/dbraw/zinc/74/01/83/668740183.db2.gz NIQBBZFWYPLRIM-STQMWFEESA-N 1 0 342.440 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001058607767 668740367 /nfs/dbraw/zinc/74/03/67/668740367.db2.gz NMNCLPLOTCTMJX-UHFFFAOYSA-N 1 0 326.401 -1.443 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001058607779 668740277 /nfs/dbraw/zinc/74/02/77/668740277.db2.gz NZSWIZMBQMOGSS-LLVKDONJSA-N 1 0 329.401 -2.053 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001058607780 668740224 /nfs/dbraw/zinc/74/02/24/668740224.db2.gz NZSWIZMBQMOGSS-NSHDSACASA-N 1 0 329.401 -2.053 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001058607829 668740217 /nfs/dbraw/zinc/74/02/17/668740217.db2.gz PLVUGMNNNLGPIQ-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 ZINC001058607846 668740195 /nfs/dbraw/zinc/74/01/95/668740195.db2.gz QSEVUPDOECRXCN-CYBMUJFWSA-N 1 0 331.413 -1.319 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 ZINC001058607847 668740283 /nfs/dbraw/zinc/74/02/83/668740283.db2.gz QSEVUPDOECRXCN-ZDUSSCGKSA-N 1 0 331.413 -1.319 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC001058607856 668740320 /nfs/dbraw/zinc/74/03/20/668740320.db2.gz RAAAHXPWVIFFIG-UHFFFAOYSA-N 1 0 328.413 -1.469 20 0 EAADRO CN1CCO[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1 ZINC001058607857 668740401 /nfs/dbraw/zinc/74/04/01/668740401.db2.gz REDINILLWTZPBD-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CN1CCO[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1 ZINC001058607858 668740228 /nfs/dbraw/zinc/74/02/28/668740228.db2.gz REDINILLWTZPBD-CQSZACIVSA-N 1 0 344.456 -1.404 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001058607864 668740313 /nfs/dbraw/zinc/74/03/13/668740313.db2.gz RITGHUMNYKNGLY-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCNC1=O ZINC001058607865 668740437 /nfs/dbraw/zinc/74/04/37/668740437.db2.gz RITGHUMNYKNGLY-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607877 668740412 /nfs/dbraw/zinc/74/04/12/668740412.db2.gz RMCBVTYUKNWAIR-GFCCVEGCSA-N 1 0 330.429 -1.223 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607878 668740430 /nfs/dbraw/zinc/74/04/30/668740430.db2.gz RMCBVTYUKNWAIR-LBPRGKRZSA-N 1 0 330.429 -1.223 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001058607881 668740434 /nfs/dbraw/zinc/74/04/34/668740434.db2.gz RMZFRGSCJAENCO-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001058607897 668740198 /nfs/dbraw/zinc/74/01/98/668740198.db2.gz SLDNWTZBPISDNL-NEPJUHHUSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C[C@H]1CCNC1=O ZINC001058607903 668740392 /nfs/dbraw/zinc/74/03/92/668740392.db2.gz SOYSMIOTEKTJKG-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCNC1=O ZINC001058607904 668740386 /nfs/dbraw/zinc/74/03/86/668740386.db2.gz SOYSMIOTEKTJKG-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CNC(=O)C1CC1 ZINC001058607927 668740220 /nfs/dbraw/zinc/74/02/20/668740220.db2.gz UAVMXRDQYZSEMO-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O ZINC001058607930 668740252 /nfs/dbraw/zinc/74/02/52/668740252.db2.gz UGTMUKVMBYKVBN-UHFFFAOYSA-N 1 0 330.429 -1.223 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607957 668740379 /nfs/dbraw/zinc/74/03/79/668740379.db2.gz VJJUSFARCOJJOI-UHFFFAOYSA-N 1 0 331.417 -1.806 20 0 EAADRO CN1C[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)NC1=O ZINC001058607960 668740184 /nfs/dbraw/zinc/74/01/84/668740184.db2.gz VLYZXBJVRFCTQK-GFCCVEGCSA-N 1 0 343.428 -1.711 20 0 EAADRO CN1C[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)NC1=O ZINC001058607961 668740429 /nfs/dbraw/zinc/74/04/29/668740429.db2.gz VLYZXBJVRFCTQK-LBPRGKRZSA-N 1 0 343.428 -1.711 20 0 EAADRO CN1C[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)CC1=O ZINC001058607966 668740186 /nfs/dbraw/zinc/74/01/86/668740186.db2.gz VPURZGVSNUKHGC-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CN1C[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)CC1=O ZINC001058607967 668740641 /nfs/dbraw/zinc/74/06/41/668740641.db2.gz VPURZGVSNUKHGC-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001058607979 668740997 /nfs/dbraw/zinc/74/09/97/668740997.db2.gz VXRIVKAJUKIPOZ-GFCCVEGCSA-N 1 0 328.413 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCNC1=O ZINC001058608026 668740660 /nfs/dbraw/zinc/74/06/60/668740660.db2.gz XOBTYFXFDIUIBQ-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCNC1=O ZINC001058608027 668740903 /nfs/dbraw/zinc/74/09/03/668740903.db2.gz XOBTYFXFDIUIBQ-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001058608038 668740732 /nfs/dbraw/zinc/74/07/32/668740732.db2.gz YEOGVXLMUAUTNX-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001058608039 668741007 /nfs/dbraw/zinc/74/10/07/668741007.db2.gz YEOGVXLMUAUTNX-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CCCC(N)=O ZINC001058608058 668740843 /nfs/dbraw/zinc/74/08/43/668740843.db2.gz ZGCVGMQGXFEVQY-UHFFFAOYSA-N 1 0 330.429 -1.079 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)c1nccnc1N ZINC001058608082 668740850 /nfs/dbraw/zinc/74/08/50/668740850.db2.gz ZZAXDIKRSHAHLN-UHFFFAOYSA-N 1 0 338.412 -1.049 20 0 EAADRO Cn1ncc(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)c1N ZINC001058610165 668745796 /nfs/dbraw/zinc/74/57/96/668745796.db2.gz BTPMGZQKXPOFLE-UHFFFAOYSA-N 1 0 340.428 -1.105 20 0 EAADRO CN1CC[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1=O ZINC001058610223 668745476 /nfs/dbraw/zinc/74/54/76/668745476.db2.gz DGKPCMCTYQCPLJ-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CN1CC[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1=O ZINC001058610224 668745490 /nfs/dbraw/zinc/74/54/90/668745490.db2.gz DGKPCMCTYQCPLJ-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CC(=O)N1CC(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1 ZINC001058610228 668745431 /nfs/dbraw/zinc/74/54/31/668745431.db2.gz DKTFMBUDWMWSGB-UHFFFAOYSA-N 1 0 342.440 -1.256 20 0 EAADRO Cn1cc(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)nn1 ZINC001058610248 668745754 /nfs/dbraw/zinc/74/57/54/668745754.db2.gz FAATWPITXWBGAM-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)Cn1ncnn1 ZINC001058610278 668745936 /nfs/dbraw/zinc/74/59/36/668745936.db2.gz FNFXQYZFATYOCN-UHFFFAOYSA-N 1 0 327.389 -2.048 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C(=O)NCC1CC1 ZINC001058610375 668745946 /nfs/dbraw/zinc/74/59/46/668745946.db2.gz HMUMFUAKAJAOSU-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CCn1ccnn1 ZINC001058610393 668745900 /nfs/dbraw/zinc/74/59/00/668745900.db2.gz HRKLDRCEORLVKF-UHFFFAOYSA-N 1 0 340.428 -1.053 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)n1 ZINC001058610442 668745945 /nfs/dbraw/zinc/74/59/45/668745945.db2.gz ISVXESMHIUMUSE-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001058610461 668745938 /nfs/dbraw/zinc/74/59/38/668745938.db2.gz JHZWZZFZGAUVBK-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001058610462 668745935 /nfs/dbraw/zinc/74/59/35/668745935.db2.gz JHZWZZFZGAUVBK-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CCn1cnnn1 ZINC001058610471 668745944 /nfs/dbraw/zinc/74/59/44/668745944.db2.gz JLVLSNRESURGEP-UHFFFAOYSA-N 1 0 341.416 -1.658 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC001058610544 668745924 /nfs/dbraw/zinc/74/59/24/668745924.db2.gz LGASUBGHJQSXLP-LLVKDONJSA-N 1 0 330.385 -1.626 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001058610545 668745840 /nfs/dbraw/zinc/74/58/40/668745840.db2.gz LGASUBGHJQSXLP-NSHDSACASA-N 1 0 330.385 -1.626 20 0 EAADRO CNC(=O)NCCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610577 668745933 /nfs/dbraw/zinc/74/59/33/668745933.db2.gz MAYFGEVGEMXFMC-UHFFFAOYSA-N 1 0 345.444 -1.416 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001058610582 668745932 /nfs/dbraw/zinc/74/59/32/668745932.db2.gz MHVBNXBBPJRZER-UHFFFAOYSA-N 1 0 326.401 -1.443 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C1CS(=O)(=O)C1 ZINC001058610596 668745965 /nfs/dbraw/zinc/74/59/65/668745965.db2.gz MOAIKAMBLDCKOD-UHFFFAOYSA-N 1 0 349.453 -1.690 20 0 EAADRO Cn1ncc(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)n1 ZINC001058610606 668745934 /nfs/dbraw/zinc/74/59/34/668745934.db2.gz MQRUJFATTMWALX-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CN1CN=NC1=O ZINC001058610654 668745941 /nfs/dbraw/zinc/74/59/41/668745941.db2.gz NLTUQFHMQBNZOF-UHFFFAOYSA-N 1 0 342.400 -1.737 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C1(NC(N)=O)CC1 ZINC001058610661 668745957 /nfs/dbraw/zinc/74/59/57/668745957.db2.gz NQHYVCYOAVNZFN-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001058610678 668745896 /nfs/dbraw/zinc/74/58/96/668745896.db2.gz NVENWROMCOYKSI-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001058610679 668745967 /nfs/dbraw/zinc/74/59/67/668745967.db2.gz NVENWROMCOYKSI-ZDUSSCGKSA-N 1 0 342.440 -1.066 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610729 668746397 /nfs/dbraw/zinc/74/63/97/668746397.db2.gz PIOLTCMUINRBFE-NSHDSACASA-N 1 0 331.417 -1.678 20 0 EAADRO Cc1nnc(CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)[nH]1 ZINC001058610755 668746209 /nfs/dbraw/zinc/74/62/09/668746209.db2.gz PUWPBDVPYXXIGX-UHFFFAOYSA-N 1 0 340.428 -1.065 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001058610838 668746281 /nfs/dbraw/zinc/74/62/81/668746281.db2.gz ROCLMXPKOUBDDT-UHFFFAOYSA-N 1 0 339.396 -1.338 20 0 EAADRO Cn1nnc(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)n1 ZINC001058610845 668746315 /nfs/dbraw/zinc/74/63/15/668746315.db2.gz RVMIPJOWQSQWBF-UHFFFAOYSA-N 1 0 327.389 -1.897 20 0 EAADRO CNC(=O)C1(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)CC1 ZINC001058610937 668746604 /nfs/dbraw/zinc/74/66/04/668746604.db2.gz ULHDVPPKYGZREX-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CN1CCOCC1 ZINC001058610955 668746697 /nfs/dbraw/zinc/74/66/97/668746697.db2.gz VCFICVGXIOVGQL-UHFFFAOYSA-N 1 0 344.456 -1.403 20 0 EAADRO C[C@H](CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)NC(N)=O ZINC001058610986 668746771 /nfs/dbraw/zinc/74/67/71/668746771.db2.gz VWGYYABIPPDPQG-GFCCVEGCSA-N 1 0 345.444 -1.288 20 0 EAADRO C[C@@H](CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)NC(N)=O ZINC001058610987 668746701 /nfs/dbraw/zinc/74/67/01/668746701.db2.gz VWGYYABIPPDPQG-LBPRGKRZSA-N 1 0 345.444 -1.288 20 0 EAADRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001058610988 668746688 /nfs/dbraw/zinc/74/66/88/668746688.db2.gz VXRIVKAJUKIPOZ-LBPRGKRZSA-N 1 0 328.413 -1.456 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610997 668746726 /nfs/dbraw/zinc/74/67/26/668746726.db2.gz WEJISXXOQWGPNW-UHFFFAOYSA-N 1 0 330.429 -1.209 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058611040 668746780 /nfs/dbraw/zinc/74/67/80/668746780.db2.gz XNGJSZCBDWLMRW-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058611041 668746789 /nfs/dbraw/zinc/74/67/89/668746789.db2.gz XNGJSZCBDWLMRW-ZDUSSCGKSA-N 1 0 342.440 -1.114 20 0 EAADRO Cn1oc(C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)cc1=O ZINC001058611052 668746608 /nfs/dbraw/zinc/74/66/08/668746608.db2.gz XSLIJCGRDOZMEK-UHFFFAOYSA-N 1 0 342.396 -1.129 20 0 EAADRO Cn1nncc1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058611079 668746638 /nfs/dbraw/zinc/74/66/38/668746638.db2.gz YDWMCTQNORBOMW-UHFFFAOYSA-N 1 0 326.401 -1.292 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058611100 668746643 /nfs/dbraw/zinc/74/66/43/668746643.db2.gz YRGVKANLBHRGSJ-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058611101 668746775 /nfs/dbraw/zinc/74/67/75/668746775.db2.gz YRGVKANLBHRGSJ-CQSZACIVSA-N 1 0 344.456 -1.404 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)C12CC[NH+](CC1)C2 ZINC001058616168 668769787 /nfs/dbraw/zinc/76/97/87/668769787.db2.gz SHQYYWIURRMWOW-LLVKDONJSA-N 1 0 339.396 -2.299 20 0 EAADRO O=C(NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)C12CC[NH+](CC1)C2 ZINC001058616169 668769994 /nfs/dbraw/zinc/76/99/94/668769994.db2.gz SHQYYWIURRMWOW-NSHDSACASA-N 1 0 339.396 -2.299 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)[NH+](C)C ZINC001058616173 668770093 /nfs/dbraw/zinc/77/00/93/668770093.db2.gz ZBKWVPWCRSCTHP-GHMZBOCLSA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)[NH+](C)C ZINC001058616174 668770084 /nfs/dbraw/zinc/77/00/84/668770084.db2.gz ZBKWVPWCRSCTHP-MNOVXSKESA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)[NH+](C)C ZINC001058616175 668769850 /nfs/dbraw/zinc/76/98/50/668769850.db2.gz ZBKWVPWCRSCTHP-QWRGUYRKSA-N 1 0 329.401 -2.055 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)[NH+](C)C ZINC001058616176 668770099 /nfs/dbraw/zinc/77/00/99/668770099.db2.gz ZBKWVPWCRSCTHP-WDEREUQCSA-N 1 0 329.401 -2.055 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058617212 668772333 /nfs/dbraw/zinc/77/23/33/668772333.db2.gz AQQQRDULRJWOIU-GFCCVEGCSA-N 1 0 343.428 -1.663 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058617213 668772443 /nfs/dbraw/zinc/77/24/43/668772443.db2.gz AQQQRDULRJWOIU-LBPRGKRZSA-N 1 0 343.428 -1.663 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001058617264 668772564 /nfs/dbraw/zinc/77/25/64/668772564.db2.gz BSICOKCFCWOHQH-LLVKDONJSA-N 1 0 341.412 -2.053 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001058617265 668772545 /nfs/dbraw/zinc/77/25/45/668772545.db2.gz BSICOKCFCWOHQH-NSHDSACASA-N 1 0 341.412 -2.053 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058617741 668773424 /nfs/dbraw/zinc/77/34/24/668773424.db2.gz MLIKTCOHYJCRMF-LLVKDONJSA-N 1 0 329.401 -2.053 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058617742 668773471 /nfs/dbraw/zinc/77/34/71/668773471.db2.gz MLIKTCOHYJCRMF-NSHDSACASA-N 1 0 329.401 -2.053 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058617851 668774906 /nfs/dbraw/zinc/77/49/06/668774906.db2.gz OYNPLUFXSDPRGL-NEPJUHHUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058617852 668774824 /nfs/dbraw/zinc/77/48/24/668774824.db2.gz OYNPLUFXSDPRGL-NWDGAFQWSA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058617853 668774798 /nfs/dbraw/zinc/77/47/98/668774798.db2.gz OYNPLUFXSDPRGL-RYUDHWBXSA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058617854 668774836 /nfs/dbraw/zinc/77/48/36/668774836.db2.gz OYNPLUFXSDPRGL-VXGBXAGGSA-N 1 0 341.412 -1.911 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058617881 668774827 /nfs/dbraw/zinc/77/48/27/668774827.db2.gz PLMMTMFYWIEDHM-LLVKDONJSA-N 1 0 329.401 -2.053 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058617882 668774899 /nfs/dbraw/zinc/77/48/99/668774899.db2.gz PLMMTMFYWIEDHM-NSHDSACASA-N 1 0 329.401 -2.053 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)[NH+](C)C ZINC001058617891 668774888 /nfs/dbraw/zinc/77/48/88/668774888.db2.gz PPBFBMLCTAHROB-NEPJUHHUSA-N 1 0 343.428 -1.809 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)[NH+](C)C ZINC001058617892 668774845 /nfs/dbraw/zinc/77/48/45/668774845.db2.gz PPBFBMLCTAHROB-NWDGAFQWSA-N 1 0 343.428 -1.809 20 0 EAADRO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)[NH+](C)C ZINC001058617893 668774809 /nfs/dbraw/zinc/77/48/09/668774809.db2.gz PPBFBMLCTAHROB-RYUDHWBXSA-N 1 0 343.428 -1.809 20 0 EAADRO CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)[NH+](C)C ZINC001058617894 668774893 /nfs/dbraw/zinc/77/48/93/668774893.db2.gz PPBFBMLCTAHROB-VXGBXAGGSA-N 1 0 343.428 -1.809 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058617977 668775047 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CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058618172 668776030 /nfs/dbraw/zinc/77/60/30/668776030.db2.gz VYMMDMIQRUMMPV-LLVKDONJSA-N 1 0 329.401 -2.053 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058618173 668775858 /nfs/dbraw/zinc/77/58/58/668775858.db2.gz VYMMDMIQRUMMPV-NSHDSACASA-N 1 0 329.401 -2.053 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001058618280 668776766 /nfs/dbraw/zinc/77/67/66/668776766.db2.gz YNBLEXJBATYUSU-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001058618281 668776829 /nfs/dbraw/zinc/77/68/29/668776829.db2.gz YNBLEXJBATYUSU-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058618304 668777081 /nfs/dbraw/zinc/77/70/81/668777081.db2.gz YZWCLJKODQDRGI-GHMZBOCLSA-N 1 0 327.385 -2.301 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058618305 668776984 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ZINC001058619692 668782505 /nfs/dbraw/zinc/78/25/05/668782505.db2.gz KUPQZUSKHTVCMR-NEPJUHHUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058619693 668782486 /nfs/dbraw/zinc/78/24/86/668782486.db2.gz KUPQZUSKHTVCMR-NWDGAFQWSA-N 1 0 341.412 -1.911 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058619694 668782447 /nfs/dbraw/zinc/78/24/47/668782447.db2.gz KUPQZUSKHTVCMR-RYUDHWBXSA-N 1 0 341.412 -1.911 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058619695 668782519 /nfs/dbraw/zinc/78/25/19/668782519.db2.gz KUPQZUSKHTVCMR-VXGBXAGGSA-N 1 0 341.412 -1.911 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058619772 668782796 /nfs/dbraw/zinc/78/27/96/668782796.db2.gz MPNCWTBIUGVVID-LLVKDONJSA-N 1 0 329.401 -2.055 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001058619773 668782833 /nfs/dbraw/zinc/78/28/33/668782833.db2.gz MPNCWTBIUGVVID-NSHDSACASA-N 1 0 329.401 -2.055 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001058619991 668783610 /nfs/dbraw/zinc/78/36/10/668783610.db2.gz RSFRIPHNWZWTDH-GHMZBOCLSA-N 1 0 327.385 -2.443 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001058619992 668783628 /nfs/dbraw/zinc/78/36/28/668783628.db2.gz RSFRIPHNWZWTDH-MNOVXSKESA-N 1 0 327.385 -2.443 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001058619993 668783612 /nfs/dbraw/zinc/78/36/12/668783612.db2.gz RSFRIPHNWZWTDH-QWRGUYRKSA-N 1 0 327.385 -2.443 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001058619994 668783591 /nfs/dbraw/zinc/78/35/91/668783591.db2.gz RSFRIPHNWZWTDH-WDEREUQCSA-N 1 0 327.385 -2.443 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001058620026 668785215 /nfs/dbraw/zinc/78/52/15/668785215.db2.gz SPRRQWGXLXQJJQ-NEPJUHHUSA-N 1 0 341.412 -2.053 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001058620027 668785381 /nfs/dbraw/zinc/78/53/81/668785381.db2.gz SPRRQWGXLXQJJQ-NWDGAFQWSA-N 1 0 341.412 -2.053 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001058620028 668785336 /nfs/dbraw/zinc/78/53/36/668785336.db2.gz SPRRQWGXLXQJJQ-RYUDHWBXSA-N 1 0 341.412 -2.053 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001058620029 668785274 /nfs/dbraw/zinc/78/52/74/668785274.db2.gz SPRRQWGXLXQJJQ-VXGBXAGGSA-N 1 0 341.412 -2.053 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)C1CCC1 ZINC001058620072 668785231 /nfs/dbraw/zinc/78/52/31/668785231.db2.gz UHNGBCFTPMKNJI-GFCCVEGCSA-N 1 0 341.412 -1.911 20 0 EAADRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)C1CCC1 ZINC001058620073 668785316 /nfs/dbraw/zinc/78/53/16/668785316.db2.gz UHNGBCFTPMKNJI-LBPRGKRZSA-N 1 0 341.412 -1.911 20 0 EAADRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001058620085 668785440 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C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001058620320 668785240 /nfs/dbraw/zinc/78/52/40/668785240.db2.gz ZRRQFOFKRXJZPY-RYUDHWBXSA-N 1 0 341.412 -2.055 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001058620321 668785278 /nfs/dbraw/zinc/78/52/78/668785278.db2.gz ZRRQFOFKRXJZPY-VXGBXAGGSA-N 1 0 341.412 -2.055 20 0 EAADRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 ZINC001058634030 668819946 /nfs/dbraw/zinc/81/99/46/668819946.db2.gz CPGYDLIYONCGSK-UHFFFAOYSA-N 1 0 342.440 -1.079 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 ZINC001058634063 668820035 /nfs/dbraw/zinc/82/00/35/668820035.db2.gz DVCNNBPQOXAQBC-UHFFFAOYSA-N 1 0 328.413 -1.469 20 0 EAADRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)C2(C(N)=O)CC2)CC1 ZINC001058634127 668820599 /nfs/dbraw/zinc/82/05/99/668820599.db2.gz GZDKXKDVEMIURA-UHFFFAOYSA-N 1 0 340.424 -1.469 20 0 EAADRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)C2(C(N)=O)CC2)CCC1 ZINC001058634161 668820486 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C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001058709038 668123608 /nfs/dbraw/zinc/12/36/08/668123608.db2.gz FJOWDGGACYVWIT-UHFFFAOYSA-N 1 0 325.369 -1.315 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709040 668123751 /nfs/dbraw/zinc/12/37/51/668123751.db2.gz FMUQSCYCCRBUMB-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709041 668123554 /nfs/dbraw/zinc/12/35/54/668123554.db2.gz FMUQSCYCCRBUMB-ZDUSSCGKSA-N 1 0 342.440 -1.114 20 0 EAADRO C[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)N1CCOCC1 ZINC001058709048 668123663 /nfs/dbraw/zinc/12/36/63/668123663.db2.gz FQALYAYSGYPGRJ-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CN1C[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)NC1=O ZINC001058709061 668123546 /nfs/dbraw/zinc/12/35/46/668123546.db2.gz GIAQRUSTULLWNH-LLVKDONJSA-N 1 0 329.401 -2.101 20 0 EAADRO CN1C[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)NC1=O ZINC001058709062 668123630 /nfs/dbraw/zinc/12/36/30/668123630.db2.gz GIAQRUSTULLWNH-NSHDSACASA-N 1 0 329.401 -2.101 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709067 668123590 /nfs/dbraw/zinc/12/35/90/668123590.db2.gz GNYAYMPEJXQMPL-UHFFFAOYSA-N 1 0 344.456 -1.010 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001058709100 668123615 /nfs/dbraw/zinc/12/36/15/668123615.db2.gz HJZZHBYPANCNLJ-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001058709101 668123721 /nfs/dbraw/zinc/12/37/21/668123721.db2.gz HJZZHBYPANCNLJ-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709106 668123627 /nfs/dbraw/zinc/12/36/27/668123627.db2.gz HOPSJRAJIDFFOY-UHFFFAOYSA-N 1 0 327.385 -1.074 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCOCC1=O ZINC001058709107 668123655 /nfs/dbraw/zinc/12/36/55/668123655.db2.gz HORZNEYRYGRFRF-UHFFFAOYSA-N 1 0 344.412 -2.266 20 0 EAADRO CN1C[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC1=O ZINC001058709108 668123675 /nfs/dbraw/zinc/12/36/75/668123675.db2.gz HPSCLIOYFDQBFW-GFCCVEGCSA-N 1 0 328.413 -1.647 20 0 EAADRO CN1C[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC1=O ZINC001058709109 668123643 /nfs/dbraw/zinc/12/36/43/668123643.db2.gz HPSCLIOYFDQBFW-LBPRGKRZSA-N 1 0 328.413 -1.647 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709134 668123229 /nfs/dbraw/zinc/12/32/29/668123229.db2.gz IPGGTQDHTVJDBT-GFCCVEGCSA-N 1 0 330.429 -1.210 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709135 668123174 /nfs/dbraw/zinc/12/31/74/668123174.db2.gz IPGGTQDHTVJDBT-LBPRGKRZSA-N 1 0 330.429 -1.210 20 0 EAADRO Cn1cnc(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)cc1=O ZINC001058709153 668123246 /nfs/dbraw/zinc/12/32/46/668123246.db2.gz JKSFGDSTKAAAFJ-UHFFFAOYSA-N 1 0 339.396 -1.717 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)O1 ZINC001058709172 668123256 /nfs/dbraw/zinc/12/32/56/668123256.db2.gz KGPLAYQZFNLVKO-ZIAGYGMSSA-N 1 0 344.456 -1.406 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709181 668124354 /nfs/dbraw/zinc/12/43/54/668124354.db2.gz KMEWLVVFXUHXDK-UHFFFAOYSA-N 1 0 345.444 -1.417 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709201 668124309 /nfs/dbraw/zinc/12/43/09/668124309.db2.gz LCNFSJYUFBEJDJ-UHFFFAOYSA-N 1 0 339.396 -1.007 20 0 EAADRO CCOCCOCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709204 668124170 /nfs/dbraw/zinc/12/41/70/668124170.db2.gz LJIXJEPEMPZSBF-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCNC(=O)C1 ZINC001058709207 668124153 /nfs/dbraw/zinc/12/41/53/668124153.db2.gz LKUPOBKGSVIXMG-UHFFFAOYSA-N 1 0 343.428 -2.693 20 0 EAADRO COCC(=O)NCCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709208 668124260 /nfs/dbraw/zinc/12/42/60/668124260.db2.gz LLKDOOCBHYBMKH-UHFFFAOYSA-N 1 0 346.428 -1.972 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1ccn2nnnc2c1 ZINC001058709216 668124342 /nfs/dbraw/zinc/12/43/42/668124342.db2.gz LZWDTCJNGXVXFH-UHFFFAOYSA-N 1 0 349.395 -1.373 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709219 668124201 /nfs/dbraw/zinc/12/42/01/668124201.db2.gz MCWGEUDDRFWUBW-UHFFFAOYSA-N 1 0 337.442 -1.690 20 0 EAADRO CN1CC[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC1=O ZINC001058709223 668124367 /nfs/dbraw/zinc/12/43/67/668124367.db2.gz MFPLUYITQWJYRB-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CN1CC[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC1=O ZINC001058709224 668124307 /nfs/dbraw/zinc/12/43/07/668124307.db2.gz MFPLUYITQWJYRB-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709228 668124352 /nfs/dbraw/zinc/12/43/52/668124352.db2.gz MLCFKVUNJGBOGQ-GFCCVEGCSA-N 1 0 328.413 -1.504 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709229 668124196 /nfs/dbraw/zinc/12/41/96/668124196.db2.gz MLCFKVUNJGBOGQ-LBPRGKRZSA-N 1 0 328.413 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001058709236 668124326 /nfs/dbraw/zinc/12/43/26/668124326.db2.gz MVXISTRTKSIVTJ-UHFFFAOYSA-N 1 0 349.395 -1.145 20 0 EAADRO COC[C@@]1(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CCOC1 ZINC001058709244 668124253 /nfs/dbraw/zinc/12/42/53/668124253.db2.gz NHZPGBWMVCZWQQ-INIZCTEOSA-N 1 0 345.440 -1.072 20 0 EAADRO COC[C@]1(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CCOC1 ZINC001058709245 668124341 /nfs/dbraw/zinc/12/43/41/668124341.db2.gz NHZPGBWMVCZWQQ-MRXNPFEDSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001058709250 668124809 /nfs/dbraw/zinc/12/48/09/668124809.db2.gz NPRBUKXIDQEIKO-NEPJUHHUSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001058709251 668124828 /nfs/dbraw/zinc/12/48/28/668124828.db2.gz NPRBUKXIDQEIKO-NWDGAFQWSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001058709252 668124763 /nfs/dbraw/zinc/12/47/63/668124763.db2.gz NPRBUKXIDQEIKO-RYUDHWBXSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001058709253 668124728 /nfs/dbraw/zinc/12/47/28/668124728.db2.gz NPRBUKXIDQEIKO-VXGBXAGGSA-N 1 0 328.413 -1.613 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001058709254 668124671 /nfs/dbraw/zinc/12/46/71/668124671.db2.gz NRDHYGABFFVKTA-LBPRGKRZSA-N 1 0 343.428 -1.582 20 0 EAADRO CC[C@]1(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CCNC1=O ZINC001058709256 668124691 /nfs/dbraw/zinc/12/46/91/668124691.db2.gz NVQMFKKAVLZDLV-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[C@@]1(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CCNC1=O ZINC001058709257 668124751 /nfs/dbraw/zinc/12/47/51/668124751.db2.gz NVQMFKKAVLZDLV-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)COC[C@H]1CCOC1 ZINC001058709258 668124882 /nfs/dbraw/zinc/12/48/82/668124882.db2.gz NWXFBRWNMICAOR-AWEZNQCLSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)COC[C@@H]1CCOC1 ZINC001058709259 668124766 /nfs/dbraw/zinc/12/47/66/668124766.db2.gz NWXFBRWNMICAOR-CQSZACIVSA-N 1 0 345.440 -1.072 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001058709262 668124738 /nfs/dbraw/zinc/12/47/38/668124738.db2.gz OAHXTUFEECZNHQ-HNNXBMFYSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001058709263 668124868 /nfs/dbraw/zinc/12/48/68/668124868.db2.gz OAHXTUFEECZNHQ-OAHLLOKOSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1cc2n(n1)CCO2 ZINC001058709265 668124676 /nfs/dbraw/zinc/12/46/76/668124676.db2.gz OCTTZZHXMVKXQI-UHFFFAOYSA-N 1 0 339.396 -1.222 20 0 EAADRO CN(CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C(=O)C1CC1 ZINC001058709295 668124686 /nfs/dbraw/zinc/12/46/86/668124686.db2.gz POLRIGOMGAUSCK-UHFFFAOYSA-N 1 0 342.440 -1.256 20 0 EAADRO Cn1cc(CCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)nn1 ZINC001058709305 668124855 /nfs/dbraw/zinc/12/48/55/668124855.db2.gz PXKYVTHQNVNBPL-UHFFFAOYSA-N 1 0 340.428 -1.364 20 0 EAADRO CCN1C[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC1=O ZINC001058709315 668124716 /nfs/dbraw/zinc/12/47/16/668124716.db2.gz QGEHAKWNFSIZKF-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CCN1C[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC1=O ZINC001058709316 668124779 /nfs/dbraw/zinc/12/47/79/668124779.db2.gz QGEHAKWNFSIZKF-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1coc(C(N)=O)c1 ZINC001058709317 668124864 /nfs/dbraw/zinc/12/48/64/668124864.db2.gz QGSUNRPWQAWUJM-UHFFFAOYSA-N 1 0 340.380 -1.119 20 0 EAADRO Cn1c(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)c[nH]c1=O ZINC001058709322 668123684 /nfs/dbraw/zinc/12/36/84/668123684.db2.gz QMDGSHAZPDAZPL-UHFFFAOYSA-N 1 0 327.385 -1.372 20 0 EAADRO C[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001058709324 668123697 /nfs/dbraw/zinc/12/36/97/668123697.db2.gz QPRNQJMFKIZANP-LLVKDONJSA-N 1 0 337.442 -1.692 20 0 EAADRO C[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001058709325 668123760 /nfs/dbraw/zinc/12/37/60/668123760.db2.gz QPRNQJMFKIZANP-NSHDSACASA-N 1 0 337.442 -1.692 20 0 EAADRO Cn1ccc(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)cc1=O ZINC001058709342 668123650 /nfs/dbraw/zinc/12/36/50/668123650.db2.gz ROOHDMCNVCMQOA-UHFFFAOYSA-N 1 0 338.408 -1.112 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CNC(=O)C1CCC1 ZINC001058709345 668124178 /nfs/dbraw/zinc/12/41/78/668124178.db2.gz ROQDSZZOBVWTRF-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCNC1=O ZINC001058709358 668124249 /nfs/dbraw/zinc/12/42/49/668124249.db2.gz RWDVOQIANNOLQQ-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCCNC1=O ZINC001058709359 668124363 /nfs/dbraw/zinc/12/43/63/668124363.db2.gz RWDVOQIANNOLQQ-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CCS(C)(=O)=O ZINC001058709375 668124243 /nfs/dbraw/zinc/12/42/43/668124243.db2.gz SOHXIYYZXZPSKR-UHFFFAOYSA-N 1 0 337.442 -1.690 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001058709383 668124213 /nfs/dbraw/zinc/12/42/13/668124213.db2.gz SRIDZDKRJBZSGC-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001058709384 668124238 /nfs/dbraw/zinc/12/42/38/668124238.db2.gz SRIDZDKRJBZSGC-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709390 668124805 /nfs/dbraw/zinc/12/48/05/668124805.db2.gz SZRNJVWTOYSNPS-UHFFFAOYSA-N 1 0 346.428 -2.020 20 0 EAADRO COc1cncc(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)n1 ZINC001058709447 668125217 /nfs/dbraw/zinc/12/52/17/668125217.db2.gz VQYXEPSALYYQLE-UHFFFAOYSA-N 1 0 339.396 -1.012 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001058709449 668125272 /nfs/dbraw/zinc/12/52/72/668125272.db2.gz VUERTUSZFSEMJE-JTQLQIEISA-N 1 0 343.384 -2.527 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709474 668125343 /nfs/dbraw/zinc/12/53/43/668125343.db2.gz WTFACBMPTHOYKA-JSGCOSHPSA-N 1 0 331.413 -1.321 20 0 EAADRO CO[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[C@H]1CCOC1 ZINC001058709486 668125300 /nfs/dbraw/zinc/12/53/00/668125300.db2.gz XGEPQZZBAXHTSP-DZGCQCFKSA-N 1 0 345.440 -1.073 20 0 EAADRO CO[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[C@@H]1CCOC1 ZINC001058709487 668125306 /nfs/dbraw/zinc/12/53/06/668125306.db2.gz XGEPQZZBAXHTSP-HIFRSBDPSA-N 1 0 345.440 -1.073 20 0 EAADRO CO[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[C@@H]1CCOC1 ZINC001058709488 668125285 /nfs/dbraw/zinc/12/52/85/668125285.db2.gz XGEPQZZBAXHTSP-UKRRQHHQSA-N 1 0 345.440 -1.073 20 0 EAADRO CO[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[C@H]1CCOC1 ZINC001058709489 668125363 /nfs/dbraw/zinc/12/53/63/668125363.db2.gz XGEPQZZBAXHTSP-ZFWWWQNUSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001058709494 668125260 /nfs/dbraw/zinc/12/52/60/668125260.db2.gz XKWABLZOMGUWLF-LLVKDONJSA-N 1 0 342.396 -2.072 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001058709495 668125234 /nfs/dbraw/zinc/12/52/34/668125234.db2.gz XKWABLZOMGUWLF-NSHDSACASA-N 1 0 342.396 -2.072 20 0 EAADRO COc1nn(C)cc1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709496 668125314 /nfs/dbraw/zinc/12/53/14/668125314.db2.gz XMVKGGKVTBUWNQ-UHFFFAOYSA-N 1 0 341.412 -1.069 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001058709532 668124822 /nfs/dbraw/zinc/12/48/22/668124822.db2.gz YTPKQXIUICYSSQ-UHFFFAOYSA-N 1 0 349.395 -1.145 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709557 668124820 /nfs/dbraw/zinc/12/48/20/668124820.db2.gz ZQUYUDBCLANJCD-GFCCVEGCSA-N 1 0 346.428 -1.974 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709558 668124754 /nfs/dbraw/zinc/12/47/54/668124754.db2.gz ZQUYUDBCLANJCD-LBPRGKRZSA-N 1 0 346.428 -1.974 20 0 EAADRO COc1cc(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)ncn1 ZINC001058710406 668127309 /nfs/dbraw/zinc/12/73/09/668127309.db2.gz ABAVMZSJFISOPS-UHFFFAOYSA-N 1 0 339.396 -1.012 20 0 EAADRO COc1ncc(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)cn1 ZINC001058710407 668127380 /nfs/dbraw/zinc/12/73/80/668127380.db2.gz AEGKJDHGQLQKGB-UHFFFAOYSA-N 1 0 339.396 -1.012 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710430 668127467 /nfs/dbraw/zinc/12/74/67/668127467.db2.gz BCTXPYBIYMGZCT-AWEZNQCLSA-N 1 0 342.440 -1.114 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1ccc2nnnn2c1 ZINC001058710433 668127161 /nfs/dbraw/zinc/12/71/61/668127161.db2.gz BDXKMGLZJMDJHA-UHFFFAOYSA-N 1 0 349.395 -1.373 20 0 EAADRO Cn1cccc(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)c1=O ZINC001058710437 668127331 /nfs/dbraw/zinc/12/73/31/668127331.db2.gz BFZIJPXGENIYQF-UHFFFAOYSA-N 1 0 338.408 -1.112 20 0 EAADRO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001058710438 668127216 /nfs/dbraw/zinc/12/72/16/668127216.db2.gz BHDPUSFKPCHMMP-OLZOCXBDSA-N 1 0 342.440 -1.223 20 0 EAADRO Cn1cnn(CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)c1=O ZINC001058710442 668127170 /nfs/dbraw/zinc/12/71/70/668127170.db2.gz BKIPTUUIIVZOAJ-UHFFFAOYSA-N 1 0 342.400 -2.529 20 0 EAADRO 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CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N ZINC001058817936 668518944 /nfs/dbraw/zinc/51/89/44/668518944.db2.gz XEGGTANZFWXUDE-UHFFFAOYSA-N 1 0 340.428 -1.105 20 0 EAADRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O ZINC001058817975 668518813 /nfs/dbraw/zinc/51/88/13/668518813.db2.gz YORGAVRSFZZXRY-GFCCVEGCSA-N 1 0 330.429 -1.223 20 0 EAADRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O ZINC001058817976 668519022 /nfs/dbraw/zinc/51/90/22/668519022.db2.gz YORGAVRSFZZXRY-LBPRGKRZSA-N 1 0 330.429 -1.223 20 0 EAADRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001058817986 668518859 /nfs/dbraw/zinc/51/88/59/668518859.db2.gz YSAMTIJLVFVAFH-AWEZNQCLSA-N 1 0 344.456 -1.404 20 0 EAADRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001058817987 668518891 /nfs/dbraw/zinc/51/88/91/668518891.db2.gz YSAMTIJLVFVAFH-CQSZACIVSA-N 1 0 344.456 -1.404 20 0 EAADRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)COCCOC ZINC001058818023 668518971 /nfs/dbraw/zinc/51/89/71/668518971.db2.gz ZRFKXDHJWDNGAR-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CCCn1cncn1 ZINC001058819880 668526751 /nfs/dbraw/zinc/52/67/51/668526751.db2.gz AIMGVIQKAVYNBF-UHFFFAOYSA-N 1 0 340.428 -1.053 20 0 EAADRO COCCCOCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058830352 668542430 /nfs/dbraw/zinc/54/24/30/668542430.db2.gz CTGMKVIAMFTLBA-AWEZNQCLSA-N 1 0 345.440 -1.072 20 0 EAADRO COCCCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058830353 668542512 /nfs/dbraw/zinc/54/25/12/668542512.db2.gz CTGMKVIAMFTLBA-CQSZACIVSA-N 1 0 345.440 -1.072 20 0 EAADRO COCCCOCC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058830891 668542456 /nfs/dbraw/zinc/54/24/56/668542456.db2.gz UOVHLIDUXWZMPI-UHFFFAOYSA-N 1 0 333.429 -1.072 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC(=O)NCC1CC1 ZINC001058831568 668542931 /nfs/dbraw/zinc/54/29/31/668542931.db2.gz CXIDREDHUWHPFT-UHFFFAOYSA-N 1 0 342.440 -1.209 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)CCCCC(N)=O)C1 ZINC001058833227 668543930 /nfs/dbraw/zinc/54/39/30/668543930.db2.gz VQZPNGBLPHAYPQ-CYBMUJFWSA-N 1 0 342.440 -1.079 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)CCCCC(N)=O)C1 ZINC001058833228 668543919 /nfs/dbraw/zinc/54/39/19/668543919.db2.gz VQZPNGBLPHAYPQ-ZDUSSCGKSA-N 1 0 342.440 -1.079 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CCCCC(N)=O ZINC001058833306 668543963 /nfs/dbraw/zinc/54/39/63/668543963.db2.gz YDAXCNXQHOIRRQ-UHFFFAOYSA-N 1 0 330.429 -1.079 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)c1cc(C(N)=O)co1 ZINC001058835878 668544532 /nfs/dbraw/zinc/54/45/32/668544532.db2.gz YGONNJLGZJVVQX-UHFFFAOYSA-N 1 0 340.380 -1.119 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058838364 668548844 /nfs/dbraw/zinc/54/88/44/668548844.db2.gz AHUNQFBOXSTVKB-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058838365 668548819 /nfs/dbraw/zinc/54/88/19/668548819.db2.gz AHUNQFBOXSTVKB-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058838431 668548856 /nfs/dbraw/zinc/54/88/56/668548856.db2.gz BSBCEUVWNNABMT-BLLLJJGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058838432 668548796 /nfs/dbraw/zinc/54/87/96/668548796.db2.gz BSBCEUVWNNABMT-LRDDRELGSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058838433 668548924 /nfs/dbraw/zinc/54/89/24/668548924.db2.gz BSBCEUVWNNABMT-MLGOLLRUSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058838434 668548904 /nfs/dbraw/zinc/54/89/04/668548904.db2.gz BSBCEUVWNNABMT-WBMJQRKESA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058838742 668548442 /nfs/dbraw/zinc/54/84/42/668548442.db2.gz JPRUDGHHGPBFCY-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058838743 668548224 /nfs/dbraw/zinc/54/82/24/668548224.db2.gz JPRUDGHHGPBFCY-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O)[NH+](C)C ZINC001058839106 668549460 /nfs/dbraw/zinc/54/94/60/668549460.db2.gz SKLDIZVEMSMHGU-BLLLJJGKSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O)[NH+](C)C ZINC001058839107 668549340 /nfs/dbraw/zinc/54/93/40/668549340.db2.gz SKLDIZVEMSMHGU-LRDDRELGSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O)[NH+](C)C ZINC001058839108 668549344 /nfs/dbraw/zinc/54/93/44/668549344.db2.gz SKLDIZVEMSMHGU-MLGOLLRUSA-N 1 0 342.440 -1.210 20 0 EAADRO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O)[NH+](C)C ZINC001058839109 668549296 /nfs/dbraw/zinc/54/92/96/668549296.db2.gz SKLDIZVEMSMHGU-WBMJQRKESA-N 1 0 342.440 -1.210 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058839358 668549861 /nfs/dbraw/zinc/54/98/61/668549861.db2.gz YOCKIMWYURAOQP-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058839359 668549840 /nfs/dbraw/zinc/54/98/40/668549840.db2.gz YOCKIMWYURAOQP-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058839400 668550458 /nfs/dbraw/zinc/55/04/58/668550458.db2.gz ZJKPIHVEUPLRPU-INIZCTEOSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058839401 668550391 /nfs/dbraw/zinc/55/03/91/668550391.db2.gz ZJKPIHVEUPLRPU-MRXNPFEDSA-N 1 0 342.440 -1.210 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001058840051 668553089 /nfs/dbraw/zinc/55/30/89/668553089.db2.gz FKIVDKWGMUFUQQ-BLLLJJGKSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001058840052 668553026 /nfs/dbraw/zinc/55/30/26/668553026.db2.gz FKIVDKWGMUFUQQ-LRDDRELGSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001058840053 668553125 /nfs/dbraw/zinc/55/31/25/668553125.db2.gz FKIVDKWGMUFUQQ-MLGOLLRUSA-N 1 0 340.424 -1.599 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001058840054 668552770 /nfs/dbraw/zinc/55/27/70/668552770.db2.gz FKIVDKWGMUFUQQ-WBMJQRKESA-N 1 0 340.424 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058840105 668552920 /nfs/dbraw/zinc/55/29/20/668552920.db2.gz HBSOTJZPKODCBG-HNNXBMFYSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058840106 668552989 /nfs/dbraw/zinc/55/29/89/668552989.db2.gz HBSOTJZPKODCBG-OAHLLOKOSA-N 1 0 328.413 -1.599 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001058840221 668554215 /nfs/dbraw/zinc/55/42/15/668554215.db2.gz LAYWOGQOHKVBFG-INIZCTEOSA-N 1 0 342.440 -1.209 20 0 EAADRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001058840222 668554060 /nfs/dbraw/zinc/55/40/60/668554060.db2.gz LAYWOGQOHKVBFG-MRXNPFEDSA-N 1 0 342.440 -1.209 20 0 EAADRO C[C@]1(C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CCNC1=O ZINC001058840511 668553446 /nfs/dbraw/zinc/55/34/46/668553446.db2.gz WPGNJCRSDGKATI-INIZCTEOSA-N 1 0 340.424 -1.455 20 0 EAADRO C[C@@]1(C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CCNC1=O ZINC001058840512 668553719 /nfs/dbraw/zinc/55/37/19/668553719.db2.gz WPGNJCRSDGKATI-MRXNPFEDSA-N 1 0 340.424 -1.455 20 0 EAADRO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001058842633 668558006 /nfs/dbraw/zinc/55/80/06/668558006.db2.gz PRUXRUWATHFXMJ-NWDGAFQWSA-N 1 0 344.412 -2.092 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O ZINC001058843419 668559217 /nfs/dbraw/zinc/55/92/17/668559217.db2.gz BBYCYDYRMAXNSN-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O ZINC001058843420 668559024 /nfs/dbraw/zinc/55/90/24/668559024.db2.gz BBYCYDYRMAXNSN-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001058843450 668559108 /nfs/dbraw/zinc/55/91/08/668559108.db2.gz BVNZROHUKZCZDJ-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC001058843451 668559144 /nfs/dbraw/zinc/55/91/44/668559144.db2.gz BVNZROHUKZCZDJ-NWDGAFQWSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001058843452 668559064 /nfs/dbraw/zinc/55/90/64/668559064.db2.gz BVNZROHUKZCZDJ-RYUDHWBXSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC001058843453 668559352 /nfs/dbraw/zinc/55/93/52/668559352.db2.gz BVNZROHUKZCZDJ-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 ZINC001058843459 668559055 /nfs/dbraw/zinc/55/90/55/668559055.db2.gz CDYJFKIYRYXFKZ-GFCCVEGCSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 ZINC001058843460 668559122 /nfs/dbraw/zinc/55/91/22/668559122.db2.gz CDYJFKIYRYXFKZ-LBPRGKRZSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058843467 668559547 /nfs/dbraw/zinc/55/95/47/668559547.db2.gz CJUFEXBTHRLOBA-NEPJUHHUSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058843468 668559560 /nfs/dbraw/zinc/55/95/60/668559560.db2.gz CJUFEXBTHRLOBA-RYUDHWBXSA-N 1 0 343.428 -1.535 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058843481 668559770 /nfs/dbraw/zinc/55/97/70/668559770.db2.gz CNYBOBDYKDUQSA-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058843482 668559780 /nfs/dbraw/zinc/55/97/80/668559780.db2.gz CNYBOBDYKDUQSA-ZDUSSCGKSA-N 1 0 342.440 -1.066 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001058843504 668559807 /nfs/dbraw/zinc/55/98/07/668559807.db2.gz DDQCQPIWLVZVNM-LLVKDONJSA-N 1 0 329.401 -1.924 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001058843505 668559889 /nfs/dbraw/zinc/55/98/89/668559889.db2.gz DDQCQPIWLVZVNM-NSHDSACASA-N 1 0 329.401 -1.924 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1ncnn1 ZINC001058843506 668559918 /nfs/dbraw/zinc/55/99/18/668559918.db2.gz DENPHQVYDJGORZ-GFCCVEGCSA-N 1 0 339.400 -1.906 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1ncnn1 ZINC001058843507 668559757 /nfs/dbraw/zinc/55/97/57/668559757.db2.gz DENPHQVYDJGORZ-LBPRGKRZSA-N 1 0 339.400 -1.906 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058843555 668559872 /nfs/dbraw/zinc/55/98/72/668559872.db2.gz FLJQPMREKOCNNH-CHWSQXEVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058843556 668559937 /nfs/dbraw/zinc/55/99/37/668559937.db2.gz FLJQPMREKOCNNH-OLZOCXBDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058843557 668559701 /nfs/dbraw/zinc/55/97/01/668559701.db2.gz FLJQPMREKOCNNH-QWHCGFSZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058843558 668559896 /nfs/dbraw/zinc/55/98/96/668559896.db2.gz FLJQPMREKOCNNH-STQMWFEESA-N 1 0 342.440 -1.068 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cnnn1C ZINC001058843573 668559617 /nfs/dbraw/zinc/55/96/17/668559617.db2.gz FXBDEPHMSGLXAA-GFCCVEGCSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cnnn1C ZINC001058843574 668559802 /nfs/dbraw/zinc/55/98/02/668559802.db2.gz FXBDEPHMSGLXAA-LBPRGKRZSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CCNC(N)=O ZINC001058843675 668559862 /nfs/dbraw/zinc/55/98/62/668559862.db2.gz HZKHZPMTSNJEQK-GFCCVEGCSA-N 1 0 343.428 -1.534 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CCNC(N)=O ZINC001058843676 668559791 /nfs/dbraw/zinc/55/97/91/668559791.db2.gz HZKHZPMTSNJEQK-LBPRGKRZSA-N 1 0 343.428 -1.534 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001058843705 668559231 /nfs/dbraw/zinc/55/92/31/668559231.db2.gz JAKGODAGXFMZHF-UPJWGTAASA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001058843706 668559050 /nfs/dbraw/zinc/55/90/50/668559050.db2.gz JAKGODAGXFMZHF-XQQFMLRXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC001058843707 668559150 /nfs/dbraw/zinc/55/91/50/668559150.db2.gz JDQKREOEJDTMMR-GFCCVEGCSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 ZINC001058843708 668559261 /nfs/dbraw/zinc/55/92/61/668559261.db2.gz JDQKREOEJDTMMR-LBPRGKRZSA-N 1 0 340.424 -1.327 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058843732 668559094 /nfs/dbraw/zinc/55/90/94/668559094.db2.gz JSSMCUTZJDGOIH-GFCCVEGCSA-N 1 0 344.412 -1.236 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058843733 668559116 /nfs/dbraw/zinc/55/91/16/668559116.db2.gz JSSMCUTZJDGOIH-LBPRGKRZSA-N 1 0 344.412 -1.236 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001058843813 668559178 /nfs/dbraw/zinc/55/91/78/668559178.db2.gz LXWQHVXEPRGHJZ-CHWSQXEVSA-N 1 0 340.424 -1.314 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001058843814 668559161 /nfs/dbraw/zinc/55/91/61/668559161.db2.gz LXWQHVXEPRGHJZ-OLZOCXBDSA-N 1 0 340.424 -1.314 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001058843815 668559223 /nfs/dbraw/zinc/55/92/23/668559223.db2.gz LXWQHVXEPRGHJZ-QWHCGFSZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001058843816 668559182 /nfs/dbraw/zinc/55/91/82/668559182.db2.gz LXWQHVXEPRGHJZ-STQMWFEESA-N 1 0 340.424 -1.314 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 ZINC001058843896 668559200 /nfs/dbraw/zinc/55/92/00/668559200.db2.gz OAUVUENIAKOYOM-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 ZINC001058843897 668559014 /nfs/dbraw/zinc/55/90/14/668559014.db2.gz OAUVUENIAKOYOM-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 ZINC001058843898 668559237 /nfs/dbraw/zinc/55/92/37/668559237.db2.gz OAUVUENIAKOYOM-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 ZINC001058843899 668559300 /nfs/dbraw/zinc/55/93/00/668559300.db2.gz OAUVUENIAKOYOM-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058843972 668559206 /nfs/dbraw/zinc/55/92/06/668559206.db2.gz PVPVYEQBEFRAPF-GFCCVEGCSA-N 1 0 328.413 -1.456 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058843973 668559265 /nfs/dbraw/zinc/55/92/65/668559265.db2.gz PVPVYEQBEFRAPF-LBPRGKRZSA-N 1 0 328.413 -1.456 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1cnnn1 ZINC001058843993 668559344 /nfs/dbraw/zinc/55/93/44/668559344.db2.gz QETPJQNRMVUOCO-GFCCVEGCSA-N 1 0 339.400 -1.906 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1cnnn1 ZINC001058843994 668559155 /nfs/dbraw/zinc/55/91/55/668559155.db2.gz QETPJQNRMVUOCO-LBPRGKRZSA-N 1 0 339.400 -1.906 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 ZINC001058843999 668559102 /nfs/dbraw/zinc/55/91/02/668559102.db2.gz QFPORQFNUHZEKA-GFCCVEGCSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 ZINC001058844000 668559191 /nfs/dbraw/zinc/55/91/91/668559191.db2.gz QFPORQFNUHZEKA-LBPRGKRZSA-N 1 0 338.412 -1.150 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058844001 668559312 /nfs/dbraw/zinc/55/93/12/668559312.db2.gz QGFABPKQLOPMFQ-CYBMUJFWSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058844002 668559174 /nfs/dbraw/zinc/55/91/74/668559174.db2.gz QGFABPKQLOPMFQ-ZDUSSCGKSA-N 1 0 342.440 -1.066 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001058844031 668559254 /nfs/dbraw/zinc/55/92/54/668559254.db2.gz RAMAKSCCHSKWKJ-CYBMUJFWSA-N 1 0 338.412 -1.301 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001058844032 668559335 /nfs/dbraw/zinc/55/93/35/668559335.db2.gz RAMAKSCCHSKWKJ-ZDUSSCGKSA-N 1 0 338.412 -1.301 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@H+]1CCC[C@H]1C ZINC001058844109 668559080 /nfs/dbraw/zinc/55/90/80/668559080.db2.gz SYEMQWCDUFKIIV-GFCCVEGCSA-N 1 0 328.413 -1.456 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001058844110 668559606 /nfs/dbraw/zinc/55/96/06/668559606.db2.gz SYEMQWCDUFKIIV-LBPRGKRZSA-N 1 0 328.413 -1.456 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CCC[C@H]1C ZINC001058844113 668559743 /nfs/dbraw/zinc/55/97/43/668559743.db2.gz SYOSSWNWTKXOPF-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001058844114 668559282 /nfs/dbraw/zinc/55/92/82/668559282.db2.gz SYOSSWNWTKXOPF-ZDUSSCGKSA-N 1 0 342.440 -1.114 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 ZINC001058844175 668559571 /nfs/dbraw/zinc/55/95/71/668559571.db2.gz VWVVUZBMFZVPRG-GFCCVEGCSA-N 1 0 338.412 -1.231 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 ZINC001058844176 668559819 /nfs/dbraw/zinc/55/98/19/668559819.db2.gz VWVVUZBMFZVPRG-LBPRGKRZSA-N 1 0 338.412 -1.231 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001058844210 668559959 /nfs/dbraw/zinc/55/99/59/668559959.db2.gz WUMILQQBHDXXKV-CYBMUJFWSA-N 1 0 338.412 -1.301 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001058844211 668559693 /nfs/dbraw/zinc/55/96/93/668559693.db2.gz WUMILQQBHDXXKV-ZDUSSCGKSA-N 1 0 338.412 -1.301 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001058844305 668560535 /nfs/dbraw/zinc/56/05/35/668560535.db2.gz ZIUMZCFDRJUXNS-NEPJUHHUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001058844306 668560498 /nfs/dbraw/zinc/56/04/98/668560498.db2.gz ZIUMZCFDRJUXNS-NWDGAFQWSA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001058844307 668560508 /nfs/dbraw/zinc/56/05/08/668560508.db2.gz ZIUMZCFDRJUXNS-RYUDHWBXSA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001058844308 668560573 /nfs/dbraw/zinc/56/05/73/668560573.db2.gz ZIUMZCFDRJUXNS-VXGBXAGGSA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 ZINC001058844334 668560596 /nfs/dbraw/zinc/56/05/96/668560596.db2.gz ZZTLHLNYFAWBEX-GFCCVEGCSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 ZINC001058844335 668560391 /nfs/dbraw/zinc/56/03/91/668560391.db2.gz ZZTLHLNYFAWBEX-LBPRGKRZSA-N 1 0 338.412 -1.150 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001058844947 668560340 /nfs/dbraw/zinc/56/03/40/668560340.db2.gz ADPOAEHCJSVQJC-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001058844948 668560359 /nfs/dbraw/zinc/56/03/59/668560359.db2.gz ADPOAEHCJSVQJC-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001058844949 668560566 /nfs/dbraw/zinc/56/05/66/668560566.db2.gz ADPOAEHCJSVQJC-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001058844950 668560591 /nfs/dbraw/zinc/56/05/91/668560591.db2.gz ADPOAEHCJSVQJC-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnon2)C1 ZINC001058844982 668560610 /nfs/dbraw/zinc/56/06/10/668560610.db2.gz BEWJPNQLAZMLOI-LLVKDONJSA-N 1 0 325.369 -1.038 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnon2)C1 ZINC001058844983 668560529 /nfs/dbraw/zinc/56/05/29/668560529.db2.gz BEWJPNQLAZMLOI-NSHDSACASA-N 1 0 325.369 -1.038 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058845072 668560582 /nfs/dbraw/zinc/56/05/82/668560582.db2.gz DNIOGALFSLPNHH-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058845073 668560315 /nfs/dbraw/zinc/56/03/15/668560315.db2.gz DNIOGALFSLPNHH-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845134 668560807 /nfs/dbraw/zinc/56/08/07/668560807.db2.gz GCNUGQKRUQUFKX-GFCCVEGCSA-N 1 0 344.412 -1.379 20 0 EAADRO COC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845135 668561208 /nfs/dbraw/zinc/56/12/08/668561208.db2.gz GCNUGQKRUQUFKX-LBPRGKRZSA-N 1 0 344.412 -1.379 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058845149 668560823 /nfs/dbraw/zinc/56/08/23/668560823.db2.gz GKDWMWVWLFVIJK-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO CC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058845150 668561169 /nfs/dbraw/zinc/56/11/69/668561169.db2.gz GKDWMWVWLFVIJK-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cn(C)nn2)C1 ZINC001058845162 668560996 /nfs/dbraw/zinc/56/09/96/668560996.db2.gz GRFDCOAWKZKTJL-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cn(C)nn2)C1 ZINC001058845163 668560873 /nfs/dbraw/zinc/56/08/73/668560873.db2.gz GRFDCOAWKZKTJL-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 ZINC001058845186 668560955 /nfs/dbraw/zinc/56/09/55/668560955.db2.gz HKEMTGVJVXILRM-LLVKDONJSA-N 1 0 339.400 -1.755 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 ZINC001058845187 668561218 /nfs/dbraw/zinc/56/12/18/668561218.db2.gz HKEMTGVJVXILRM-NSHDSACASA-N 1 0 339.400 -1.755 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845192 668560939 /nfs/dbraw/zinc/56/09/39/668560939.db2.gz HTAJMSSKTSNELI-NEPJUHHUSA-N 1 0 343.428 -1.678 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845193 668561191 /nfs/dbraw/zinc/56/11/91/668561191.db2.gz HTAJMSSKTSNELI-RYUDHWBXSA-N 1 0 343.428 -1.678 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2COCCO2)C1 ZINC001058845395 668561080 /nfs/dbraw/zinc/56/10/80/668561080.db2.gz MPVQKMAJUOIHHI-KBPBESRZSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2COCCO2)C1 ZINC001058845396 668560909 /nfs/dbraw/zinc/56/09/09/668560909.db2.gz MPVQKMAJUOIHHI-KGLIPLIRSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2COCCO2)C1 ZINC001058845397 668560980 /nfs/dbraw/zinc/56/09/80/668560980.db2.gz MPVQKMAJUOIHHI-UONOGXRCSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2COCCO2)C1 ZINC001058845398 668561140 /nfs/dbraw/zinc/56/11/40/668561140.db2.gz MPVQKMAJUOIHHI-ZIAGYGMSSA-N 1 0 343.424 -1.319 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058845403 668560969 /nfs/dbraw/zinc/56/09/69/668560969.db2.gz MTFZZMLBXZNETJ-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058845404 668560766 /nfs/dbraw/zinc/56/07/66/668560766.db2.gz MTFZZMLBXZNETJ-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058845405 668560779 /nfs/dbraw/zinc/56/07/79/668560779.db2.gz MTFZZMLBXZNETJ-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058845406 668560792 /nfs/dbraw/zinc/56/07/92/668560792.db2.gz MTFZZMLBXZNETJ-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnnn2C)C1 ZINC001058845480 668561056 /nfs/dbraw/zinc/56/10/56/668561056.db2.gz PDQOPHNAOOQGOJ-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnnn2C)C1 ZINC001058845481 668561225 /nfs/dbraw/zinc/56/12/25/668561225.db2.gz PDQOPHNAOOQGOJ-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001058845482 668560856 /nfs/dbraw/zinc/56/08/56/668560856.db2.gz PFVXHTRBBLQKFO-CHWSQXEVSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001058845483 668561583 /nfs/dbraw/zinc/56/15/83/668561583.db2.gz PFVXHTRBBLQKFO-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O ZINC001058845484 668561563 /nfs/dbraw/zinc/56/15/63/668561563.db2.gz PFVXHTRBBLQKFO-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O ZINC001058845485 668561464 /nfs/dbraw/zinc/56/14/64/668561464.db2.gz PFVXHTRBBLQKFO-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845504 668561516 /nfs/dbraw/zinc/56/15/16/668561516.db2.gz PPAQBMGRVZVVRR-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845505 668561649 /nfs/dbraw/zinc/56/16/49/668561649.db2.gz PPAQBMGRVZVVRR-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CNC(N)=O)C1 ZINC001058845526 668561506 /nfs/dbraw/zinc/56/15/06/668561506.db2.gz PZXCZOOWNRMTLS-LLVKDONJSA-N 1 0 329.401 -2.066 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CNC(N)=O)C1 ZINC001058845527 668561676 /nfs/dbraw/zinc/56/16/76/668561676.db2.gz PZXCZOOWNRMTLS-NSHDSACASA-N 1 0 329.401 -2.066 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2ncn(C)n2)C1 ZINC001058845530 668561663 /nfs/dbraw/zinc/56/16/63/668561663.db2.gz QBFDZCJTAVKCBJ-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2ncn(C)n2)C1 ZINC001058845531 668561620 /nfs/dbraw/zinc/56/16/20/668561620.db2.gz QBFDZCJTAVKCBJ-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845579 668561542 /nfs/dbraw/zinc/56/15/42/668561542.db2.gz RGNMZTXLMQMXJH-CYBMUJFWSA-N 1 0 342.440 -1.209 20 0 EAADRO CCC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845580 668561735 /nfs/dbraw/zinc/56/17/35/668561735.db2.gz RGNMZTXLMQMXJH-ZDUSSCGKSA-N 1 0 342.440 -1.209 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CC(=O)N(C)C ZINC001058845634 668560402 /nfs/dbraw/zinc/56/04/02/668560402.db2.gz SCUNUTYFVNRGGT-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CC(=O)N(C)C ZINC001058845635 668560520 /nfs/dbraw/zinc/56/05/20/668560520.db2.gz SCUNUTYFVNRGGT-ZDUSSCGKSA-N 1 0 342.440 -1.114 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)Cn2cnnn2)C1 ZINC001058845755 668560447 /nfs/dbraw/zinc/56/04/47/668560447.db2.gz VZFWMZSUQOOZMB-GFCCVEGCSA-N 1 0 339.400 -2.048 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)Cn2cnnn2)C1 ZINC001058845756 668560541 /nfs/dbraw/zinc/56/05/41/668560541.db2.gz VZFWMZSUQOOZMB-LBPRGKRZSA-N 1 0 339.400 -2.048 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058845824 668560560 /nfs/dbraw/zinc/56/05/60/668560560.db2.gz XGDUPRLJFBERRW-GFCCVEGCSA-N 1 0 343.428 -1.663 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058845825 668560422 /nfs/dbraw/zinc/56/04/22/668560422.db2.gz XGDUPRLJFBERRW-LBPRGKRZSA-N 1 0 343.428 -1.663 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845848 668560749 /nfs/dbraw/zinc/56/07/49/668560749.db2.gz XQOZOGAKMVYEDN-AWEZNQCLSA-N 1 0 345.440 -1.072 20 0 EAADRO COCCOCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845849 668561018 /nfs/dbraw/zinc/56/10/18/668561018.db2.gz XQOZOGAKMVYEDN-CQSZACIVSA-N 1 0 345.440 -1.072 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845851 668560891 /nfs/dbraw/zinc/56/08/91/668560891.db2.gz XVSYVORGCJXQPJ-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845852 668561030 /nfs/dbraw/zinc/56/10/30/668561030.db2.gz XVSYVORGCJXQPJ-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845853 668561040 /nfs/dbraw/zinc/56/10/40/668561040.db2.gz XVSYVORGCJXQPJ-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845854 668561178 /nfs/dbraw/zinc/56/11/78/668561178.db2.gz XVSYVORGCJXQPJ-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnn(C)n2)C1 ZINC001058845872 668561156 /nfs/dbraw/zinc/56/11/56/668561156.db2.gz YJJNXVPJHUAGRY-GFCCVEGCSA-N 1 0 338.412 -1.292 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnn(C)n2)C1 ZINC001058845873 668561115 /nfs/dbraw/zinc/56/11/15/668561115.db2.gz YJJNXVPJHUAGRY-LBPRGKRZSA-N 1 0 338.412 -1.292 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845881 668561199 /nfs/dbraw/zinc/56/11/99/668561199.db2.gz YOAIPEPJCSSAHH-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO CNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845882 668561239 /nfs/dbraw/zinc/56/12/39/668561239.db2.gz YOAIPEPJCSSAHH-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001058845883 668561065 /nfs/dbraw/zinc/56/10/65/668561065.db2.gz YQVLLZXIZDWUGV-CHWSQXEVSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001058845884 668561127 /nfs/dbraw/zinc/56/11/27/668561127.db2.gz YQVLLZXIZDWUGV-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001058845885 668561006 /nfs/dbraw/zinc/56/10/06/668561006.db2.gz YQVLLZXIZDWUGV-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001058845886 668560901 /nfs/dbraw/zinc/56/09/01/668560901.db2.gz YQVLLZXIZDWUGV-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CS(C)(=O)=O ZINC001058846578 668563696 /nfs/dbraw/zinc/56/36/96/668563696.db2.gz AEEWBAXKOXHMDW-NEPJUHHUSA-N 1 0 349.453 -1.834 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CS(C)(=O)=O ZINC001058846579 668563708 /nfs/dbraw/zinc/56/37/08/668563708.db2.gz AEEWBAXKOXHMDW-NWDGAFQWSA-N 1 0 349.453 -1.834 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CS(C)(=O)=O ZINC001058846580 668563592 /nfs/dbraw/zinc/56/35/92/668563592.db2.gz AEEWBAXKOXHMDW-RYUDHWBXSA-N 1 0 349.453 -1.834 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CS(C)(=O)=O ZINC001058846581 668563699 /nfs/dbraw/zinc/56/36/99/668563699.db2.gz AEEWBAXKOXHMDW-VXGBXAGGSA-N 1 0 349.453 -1.834 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001058846611 668563742 /nfs/dbraw/zinc/56/37/42/668563742.db2.gz AYDGQXQXLRHNOY-CHWSQXEVSA-N 1 0 340.424 -1.599 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001058846612 668563674 /nfs/dbraw/zinc/56/36/74/668563674.db2.gz AYDGQXQXLRHNOY-OLZOCXBDSA-N 1 0 340.424 -1.599 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001058846613 668563609 /nfs/dbraw/zinc/56/36/09/668563609.db2.gz AYDGQXQXLRHNOY-QWHCGFSZSA-N 1 0 340.424 -1.599 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001058846614 668563659 /nfs/dbraw/zinc/56/36/59/668563659.db2.gz AYDGQXQXLRHNOY-STQMWFEESA-N 1 0 340.424 -1.599 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058846649 668563662 /nfs/dbraw/zinc/56/36/62/668563662.db2.gz BLHOBAYZNHOQRX-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@H](OC)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058846650 668563720 /nfs/dbraw/zinc/56/37/20/668563720.db2.gz BLHOBAYZNHOQRX-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058846651 668563656 /nfs/dbraw/zinc/56/36/56/668563656.db2.gz BLHOBAYZNHOQRX-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058846652 668563566 /nfs/dbraw/zinc/56/35/66/668563566.db2.gz BLHOBAYZNHOQRX-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058846682 668563576 /nfs/dbraw/zinc/56/35/76/668563576.db2.gz CDUPYJFUEJYZLE-GFCCVEGCSA-N 1 0 343.428 -1.806 20 0 EAADRO CNC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058846683 668563636 /nfs/dbraw/zinc/56/36/36/668563636.db2.gz CDUPYJFUEJYZLE-LBPRGKRZSA-N 1 0 343.428 -1.806 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)C2(C(N)=O)CC2)C1 ZINC001058846760 668563598 /nfs/dbraw/zinc/56/35/98/668563598.db2.gz FIFJLWBTMJIIAX-GFCCVEGCSA-N 1 0 340.424 -1.469 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)C2(C(N)=O)CC2)C1 ZINC001058846761 668563693 /nfs/dbraw/zinc/56/36/93/668563693.db2.gz FIFJLWBTMJIIAX-LBPRGKRZSA-N 1 0 340.424 -1.469 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CCCC(N)=O)C1 ZINC001058846799 668562954 /nfs/dbraw/zinc/56/29/54/668562954.db2.gz GDNNTAQFSHZFJA-CYBMUJFWSA-N 1 0 342.440 -1.079 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CCCC(N)=O)C1 ZINC001058846800 668562989 /nfs/dbraw/zinc/56/29/89/668562989.db2.gz GDNNTAQFSHZFJA-ZDUSSCGKSA-N 1 0 342.440 -1.079 20 0 EAADRO 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C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061267156 669103133 /nfs/dbraw/zinc/10/31/33/669103133.db2.gz LAUUZJNJQJJCDY-LLVKDONJSA-N 1 0 345.400 -2.424 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061267168 669103061 /nfs/dbraw/zinc/10/30/61/669103061.db2.gz LAUUZJNJQJJCDY-NSHDSACASA-N 1 0 345.400 -2.424 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCOC[C@@H]2CNC(=O)CNC(N)=O)C1 ZINC001061267452 669103604 /nfs/dbraw/zinc/10/36/04/669103604.db2.gz QVEMRKNHBHVNPL-NEPJUHHUSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCOC[C@H]2CNC(=O)CNC(N)=O)C1 ZINC001061267453 669104146 /nfs/dbraw/zinc/10/41/46/669104146.db2.gz QVEMRKNHBHVNPL-NWDGAFQWSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCOC[C@@H]2CNC(=O)CNC(N)=O)C1 ZINC001061267454 669104164 /nfs/dbraw/zinc/10/41/64/669104164.db2.gz QVEMRKNHBHVNPL-RYUDHWBXSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCOC[C@H]2CNC(=O)CNC(N)=O)C1 ZINC001061267455 669104266 /nfs/dbraw/zinc/10/42/66/669104266.db2.gz QVEMRKNHBHVNPL-VXGBXAGGSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061267456 669104253 /nfs/dbraw/zinc/10/42/53/669104253.db2.gz QXMYOBYUFOCEMQ-GHMZBOCLSA-N 1 0 327.385 -1.908 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061267457 669104051 /nfs/dbraw/zinc/10/40/51/669104051.db2.gz QXMYOBYUFOCEMQ-MNOVXSKESA-N 1 0 327.385 -1.908 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061267458 669104365 /nfs/dbraw/zinc/10/43/65/669104365.db2.gz QXMYOBYUFOCEMQ-QWRGUYRKSA-N 1 0 327.385 -1.908 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061267459 669104225 /nfs/dbraw/zinc/10/42/25/669104225.db2.gz QXMYOBYUFOCEMQ-WDEREUQCSA-N 1 0 327.385 -1.908 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061268491 669108401 /nfs/dbraw/zinc/10/84/01/669108401.db2.gz ANRVSCQNFBZBJU-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061268495 669108622 /nfs/dbraw/zinc/10/86/22/669108622.db2.gz ANRVSCQNFBZBJU-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061268530 669108488 /nfs/dbraw/zinc/10/84/88/669108488.db2.gz AZJIIRYKYYUSOJ-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061268542 669108458 /nfs/dbraw/zinc/10/84/58/669108458.db2.gz AZJIIRYKYYUSOJ-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061268779 669108528 /nfs/dbraw/zinc/10/85/28/669108528.db2.gz CUNWBRAEGDQGBB-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061268780 669108655 /nfs/dbraw/zinc/10/86/55/669108655.db2.gz CUNWBRAEGDQGBB-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CNC(N)=O)CC[N@@H+]1C ZINC001061268845 669108475 /nfs/dbraw/zinc/10/84/75/669108475.db2.gz DWZIFYCINLRBAX-GRYCIOLGSA-N 1 0 341.412 -1.662 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CNC(N)=O)CC[N@@H+]1C ZINC001061268846 669108519 /nfs/dbraw/zinc/10/85/19/669108519.db2.gz DWZIFYCINLRBAX-IJLUTSLNSA-N 1 0 341.412 -1.662 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CNC(N)=O)C1 ZINC001061268873 669109014 /nfs/dbraw/zinc/10/90/14/669109014.db2.gz FQWKCASRUKUNOO-GHMZBOCLSA-N 1 0 327.385 -2.050 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CNC(N)=O)C1 ZINC001061268874 669109390 /nfs/dbraw/zinc/10/93/90/669109390.db2.gz FQWKCASRUKUNOO-MNOVXSKESA-N 1 0 327.385 -2.050 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CNC(N)=O)C1 ZINC001061268875 669109098 /nfs/dbraw/zinc/10/90/98/669109098.db2.gz FQWKCASRUKUNOO-QWRGUYRKSA-N 1 0 327.385 -2.050 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CNC(N)=O)C1 ZINC001061268876 669109284 /nfs/dbraw/zinc/10/92/84/669109284.db2.gz FQWKCASRUKUNOO-WDEREUQCSA-N 1 0 327.385 -2.050 20 0 EAADRO NC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061268993 669106875 /nfs/dbraw/zinc/10/68/75/669106875.db2.gz HYOPIVJCFTYJLK-LLVKDONJSA-N 1 0 327.385 -1.906 20 0 EAADRO NC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061268994 669107046 /nfs/dbraw/zinc/10/70/46/669107046.db2.gz HYOPIVJCFTYJLK-NSHDSACASA-N 1 0 327.385 -1.906 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCOC[C@H]2CNC(=O)CNC(N)=O)CC1 ZINC001061268995 669106929 /nfs/dbraw/zinc/10/69/29/669106929.db2.gz HYVUDWFSYWHUJP-GFCCVEGCSA-N 1 0 341.412 -1.660 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCOC[C@@H]2CNC(=O)CNC(N)=O)CC1 ZINC001061268996 669106910 /nfs/dbraw/zinc/10/69/10/669106910.db2.gz HYVUDWFSYWHUJP-LBPRGKRZSA-N 1 0 341.412 -1.660 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061269017 669106888 /nfs/dbraw/zinc/10/68/88/669106888.db2.gz IODADIOOQFQTES-LLVKDONJSA-N 1 0 329.401 -1.662 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061269018 669106762 /nfs/dbraw/zinc/10/67/62/669106762.db2.gz IODADIOOQFQTES-NSHDSACASA-N 1 0 329.401 -1.662 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCOC[C@H]2CNC(=O)CNC(N)=O)CC1 ZINC001061269025 669106906 /nfs/dbraw/zinc/10/69/06/669106906.db2.gz ISXDIODYJUMHDO-LLVKDONJSA-N 1 0 341.412 -1.660 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCOC[C@@H]2CNC(=O)CNC(N)=O)CC1 ZINC001061269026 669106736 /nfs/dbraw/zinc/10/67/36/669106736.db2.gz ISXDIODYJUMHDO-NSHDSACASA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@H+](CC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O)C1CCC1 ZINC001061269114 669107518 /nfs/dbraw/zinc/10/75/18/669107518.db2.gz JOEGNMFDOVMIOB-GFCCVEGCSA-N 1 0 341.412 -1.517 20 0 EAADRO C[N@H+](CC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O)C1CCC1 ZINC001061269115 669107536 /nfs/dbraw/zinc/10/75/36/669107536.db2.gz JOEGNMFDOVMIOB-LBPRGKRZSA-N 1 0 341.412 -1.517 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061269130 669107564 /nfs/dbraw/zinc/10/75/64/669107564.db2.gz JWWXFVRQTADVCO-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061269131 669107493 /nfs/dbraw/zinc/10/74/93/669107493.db2.gz JWWXFVRQTADVCO-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061269274 669107571 /nfs/dbraw/zinc/10/75/71/669107571.db2.gz NISJCMLSNJSVSX-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061269275 669107389 /nfs/dbraw/zinc/10/73/89/669107389.db2.gz NISJCMLSNJSVSX-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O ZINC001061269977 669107904 /nfs/dbraw/zinc/10/79/04/669107904.db2.gz WDOKYVCHVRIBJF-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O ZINC001061269979 669107981 /nfs/dbraw/zinc/10/79/81/669107981.db2.gz WDOKYVCHVRIBJF-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061272713 669109806 /nfs/dbraw/zinc/10/98/06/669109806.db2.gz FVCUZZKAQRNGPV-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061272714 669109624 /nfs/dbraw/zinc/10/96/24/669109624.db2.gz FVCUZZKAQRNGPV-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061272715 669109752 /nfs/dbraw/zinc/10/97/52/669109752.db2.gz FVCUZZKAQRNGPV-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061272716 669109837 /nfs/dbraw/zinc/10/98/37/669109837.db2.gz FVCUZZKAQRNGPV-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1)[NH+](C)C ZINC001061277068 669114717 /nfs/dbraw/zinc/11/47/17/669114717.db2.gz ACUMLUTVXJENJX-NEPJUHHUSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1)[NH+](C)C ZINC001061277069 669114656 /nfs/dbraw/zinc/11/46/56/669114656.db2.gz ACUMLUTVXJENJX-NWDGAFQWSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1)[NH+](C)C ZINC001061277070 669114606 /nfs/dbraw/zinc/11/46/06/669114606.db2.gz ACUMLUTVXJENJX-RYUDHWBXSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1)[NH+](C)C ZINC001061277071 669114622 /nfs/dbraw/zinc/11/46/22/669114622.db2.gz ACUMLUTVXJENJX-VXGBXAGGSA-N 1 0 339.400 -1.643 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061277120 669114636 /nfs/dbraw/zinc/11/46/36/669114636.db2.gz AXMBESFZEKTNCL-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061277121 669114883 /nfs/dbraw/zinc/11/48/83/669114883.db2.gz AXMBESFZEKTNCL-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061277659 669116322 /nfs/dbraw/zinc/11/63/22/669116322.db2.gz JERAOILOZLLRDA-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061277660 669116298 /nfs/dbraw/zinc/11/62/98/669116298.db2.gz JERAOILOZLLRDA-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061277721 669116332 /nfs/dbraw/zinc/11/63/32/669116332.db2.gz KOWKWMQYNWGAOV-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061277722 669116403 /nfs/dbraw/zinc/11/64/03/669116403.db2.gz KOWKWMQYNWGAOV-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061277795 669116410 /nfs/dbraw/zinc/11/64/10/669116410.db2.gz MTZMZOWSMGONIL-GFCCVEGCSA-N 1 0 349.395 -1.888 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061277796 669116525 /nfs/dbraw/zinc/11/65/25/669116525.db2.gz MTZMZOWSMGONIL-LBPRGKRZSA-N 1 0 349.395 -1.888 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061277859 669117019 /nfs/dbraw/zinc/11/70/19/669117019.db2.gz NMKOFUFEFBEPRZ-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061277860 669117052 /nfs/dbraw/zinc/11/70/52/669117052.db2.gz NMKOFUFEFBEPRZ-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061278199 669118209 /nfs/dbraw/zinc/11/82/09/669118209.db2.gz UQBDOQPWLFLYDE-GFCCVEGCSA-N 1 0 337.384 -1.888 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061278200 669118296 /nfs/dbraw/zinc/11/82/96/669118296.db2.gz UQBDOQPWLFLYDE-LBPRGKRZSA-N 1 0 337.384 -1.888 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061278271 669118093 /nfs/dbraw/zinc/11/80/93/669118093.db2.gz WGSCBCIVIMVKIE-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061278272 669118128 /nfs/dbraw/zinc/11/81/28/669118128.db2.gz WGSCBCIVIMVKIE-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001061278289 669118151 /nfs/dbraw/zinc/11/81/51/669118151.db2.gz WJLUABDHWCYOQW-NEPJUHHUSA-N 1 0 337.384 -2.032 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001061278290 669118162 /nfs/dbraw/zinc/11/81/62/669118162.db2.gz WJLUABDHWCYOQW-NWDGAFQWSA-N 1 0 337.384 -2.032 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001061278291 669118186 /nfs/dbraw/zinc/11/81/86/669118186.db2.gz WJLUABDHWCYOQW-RYUDHWBXSA-N 1 0 337.384 -2.032 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001061278292 669118304 /nfs/dbraw/zinc/11/83/04/669118304.db2.gz WJLUABDHWCYOQW-VXGBXAGGSA-N 1 0 337.384 -2.032 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001061278471 669118885 /nfs/dbraw/zinc/11/88/85/669118885.db2.gz ZVHLHGDLMXCVBW-GFCCVEGCSA-N 1 0 339.400 -1.643 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001061278472 669118840 /nfs/dbraw/zinc/11/88/40/669118840.db2.gz ZVHLHGDLMXCVBW-LBPRGKRZSA-N 1 0 339.400 -1.643 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CN1CCCC1=O ZINC001061279735 669119969 /nfs/dbraw/zinc/11/99/69/669119969.db2.gz UKSOKTHUDBHLKB-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001061279737 669120025 /nfs/dbraw/zinc/12/00/25/669120025.db2.gz UKSOKTHUDBHLKB-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCn1cncn1 ZINC001061296480 669134449 /nfs/dbraw/zinc/13/44/49/669134449.db2.gz RRSHPHZWWVSPFR-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CCn1cncn1 ZINC001061296481 669134124 /nfs/dbraw/zinc/13/41/24/669134124.db2.gz RRSHPHZWWVSPFR-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001061313770 669145198 /nfs/dbraw/zinc/14/51/98/669145198.db2.gz IEUDUCKUJCGJPD-CHWSQXEVSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001061313771 669145086 /nfs/dbraw/zinc/14/50/86/669145086.db2.gz IEUDUCKUJCGJPD-OLZOCXBDSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001061313772 669145155 /nfs/dbraw/zinc/14/51/55/669145155.db2.gz IEUDUCKUJCGJPD-QWHCGFSZSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001061313774 669145211 /nfs/dbraw/zinc/14/52/11/669145211.db2.gz IEUDUCKUJCGJPD-STQMWFEESA-N 1 0 329.397 -1.303 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061321267 669148991 /nfs/dbraw/zinc/14/89/91/669148991.db2.gz ALAXDPUATDBYII-CYBMUJFWSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061321268 669149008 /nfs/dbraw/zinc/14/90/08/669149008.db2.gz ALAXDPUATDBYII-ZDUSSCGKSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061323088 669148859 /nfs/dbraw/zinc/14/88/59/669148859.db2.gz LWRSJCAIQVQJLO-AWEZNQCLSA-N 1 0 340.424 -1.096 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061323089 669149050 /nfs/dbraw/zinc/14/90/50/669149050.db2.gz LWRSJCAIQVQJLO-CQSZACIVSA-N 1 0 340.424 -1.096 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061323129 669148757 /nfs/dbraw/zinc/14/87/57/669148757.db2.gz MSGKOCNUGMPTPN-KBPBESRZSA-N 1 0 340.424 -1.240 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061323131 669148750 /nfs/dbraw/zinc/14/87/50/669148750.db2.gz MSGKOCNUGMPTPN-KGLIPLIRSA-N 1 0 340.424 -1.240 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061323132 669148936 /nfs/dbraw/zinc/14/89/36/669148936.db2.gz MSGKOCNUGMPTPN-UONOGXRCSA-N 1 0 340.424 -1.240 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061323133 669148789 /nfs/dbraw/zinc/14/87/89/669148789.db2.gz MSGKOCNUGMPTPN-ZIAGYGMSSA-N 1 0 340.424 -1.240 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061323669 669150742 /nfs/dbraw/zinc/15/07/42/669150742.db2.gz SNLXSRGWWKMRDJ-KBPBESRZSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061323670 669150840 /nfs/dbraw/zinc/15/08/40/669150840.db2.gz SNLXSRGWWKMRDJ-KGLIPLIRSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061323674 669150605 /nfs/dbraw/zinc/15/06/05/669150605.db2.gz SNLXSRGWWKMRDJ-UONOGXRCSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061323675 669150957 /nfs/dbraw/zinc/15/09/57/669150957.db2.gz SNLXSRGWWKMRDJ-ZIAGYGMSSA-N 1 0 340.424 -1.098 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001061328642 669152933 /nfs/dbraw/zinc/15/29/33/669152933.db2.gz LOROLIYGAPBXIO-GFCCVEGCSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001061328644 669152689 /nfs/dbraw/zinc/15/26/89/669152689.db2.gz LOROLIYGAPBXIO-LBPRGKRZSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001061331864 669154175 /nfs/dbraw/zinc/15/41/75/669154175.db2.gz OAQVDDOWGUMGRU-CYBMUJFWSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001061331865 669154317 /nfs/dbraw/zinc/15/43/17/669154317.db2.gz OAQVDDOWGUMGRU-ZDUSSCGKSA-N 1 0 339.396 -1.055 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061350403 669161275 /nfs/dbraw/zinc/16/12/75/669161275.db2.gz RCYWMIXALGGOAL-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061350406 669161212 /nfs/dbraw/zinc/16/12/12/669161212.db2.gz RCYWMIXALGGOAL-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061350409 669161147 /nfs/dbraw/zinc/16/11/47/669161147.db2.gz RCYWMIXALGGOAL-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061350411 669161036 /nfs/dbraw/zinc/16/10/36/669161036.db2.gz RCYWMIXALGGOAL-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001061350936 669161680 /nfs/dbraw/zinc/16/16/80/669161680.db2.gz WXSWFCQFAIJBBB-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001061350937 669161796 /nfs/dbraw/zinc/16/17/96/669161796.db2.gz WXSWFCQFAIJBBB-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061356437 669164657 /nfs/dbraw/zinc/16/46/57/669164657.db2.gz GBSSSESMQHFZBY-NEPJUHHUSA-N 1 0 342.396 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061356438 669164528 /nfs/dbraw/zinc/16/45/28/669164528.db2.gz GBSSSESMQHFZBY-NWDGAFQWSA-N 1 0 342.396 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061356439 669164628 /nfs/dbraw/zinc/16/46/28/669164628.db2.gz GBSSSESMQHFZBY-RYUDHWBXSA-N 1 0 342.396 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061356440 669164328 /nfs/dbraw/zinc/16/43/28/669164328.db2.gz GBSSSESMQHFZBY-VXGBXAGGSA-N 1 0 342.396 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061357152 669164944 /nfs/dbraw/zinc/16/49/44/669164944.db2.gz ONGDGEDGIBSEEY-LLVKDONJSA-N 1 0 330.385 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061357154 669165171 /nfs/dbraw/zinc/16/51/71/669165171.db2.gz ONGDGEDGIBSEEY-NSHDSACASA-N 1 0 330.385 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061357197 669165253 /nfs/dbraw/zinc/16/52/53/669165253.db2.gz OXZCFQHUNPZNSS-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061357199 669165122 /nfs/dbraw/zinc/16/51/22/669165122.db2.gz OXZCFQHUNPZNSS-LBPRGKRZSA-N 1 0 342.396 -1.218 20 0 EAADRO CO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC[NH+](C)C ZINC001061366617 669173790 /nfs/dbraw/zinc/17/37/90/669173790.db2.gz LDNBDVIHWUTEJT-CHWSQXEVSA-N 1 0 331.413 -1.057 20 0 EAADRO CO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC[NH+](C)C ZINC001061366618 669173405 /nfs/dbraw/zinc/17/34/05/669173405.db2.gz LDNBDVIHWUTEJT-OLZOCXBDSA-N 1 0 331.413 -1.057 20 0 EAADRO CO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC[NH+](C)C ZINC001061366619 669173510 /nfs/dbraw/zinc/17/35/10/669173510.db2.gz LDNBDVIHWUTEJT-QWHCGFSZSA-N 1 0 331.413 -1.057 20 0 EAADRO CO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC[NH+](C)C ZINC001061366620 669173542 /nfs/dbraw/zinc/17/35/42/669173542.db2.gz LDNBDVIHWUTEJT-STQMWFEESA-N 1 0 331.413 -1.057 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001061379440 669178100 /nfs/dbraw/zinc/17/81/00/669178100.db2.gz CVZBHWKBJSMIAV-LLVKDONJSA-N 1 0 335.426 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001061379441 669178128 /nfs/dbraw/zinc/17/81/28/669178128.db2.gz CVZBHWKBJSMIAV-NSHDSACASA-N 1 0 335.426 -1.674 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001061380107 669179406 /nfs/dbraw/zinc/17/94/06/669179406.db2.gz HINBSDVSUGCKCG-NEPJUHHUSA-N 1 0 347.437 -1.674 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001061380111 669179292 /nfs/dbraw/zinc/17/92/92/669179292.db2.gz HINBSDVSUGCKCG-NWDGAFQWSA-N 1 0 347.437 -1.674 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001061380114 669179457 /nfs/dbraw/zinc/17/94/57/669179457.db2.gz HINBSDVSUGCKCG-RYUDHWBXSA-N 1 0 347.437 -1.674 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001061380117 669179505 /nfs/dbraw/zinc/17/95/05/669179505.db2.gz HINBSDVSUGCKCG-VXGBXAGGSA-N 1 0 347.437 -1.674 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001061381480 669178718 /nfs/dbraw/zinc/17/87/18/669178718.db2.gz OZFBZNHDMJOQQV-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001061381482 669178726 /nfs/dbraw/zinc/17/87/26/669178726.db2.gz OZFBZNHDMJOQQV-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001061382714 669180632 /nfs/dbraw/zinc/18/06/32/669180632.db2.gz TWAAEFJTMQYJPN-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001061382716 669180665 /nfs/dbraw/zinc/18/06/65/669180665.db2.gz TWAAEFJTMQYJPN-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001061387100 669182605 /nfs/dbraw/zinc/18/26/05/669182605.db2.gz ZHUKUTLZROUGJR-KBPBESRZSA-N 1 0 343.424 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001061387101 669183007 /nfs/dbraw/zinc/18/30/07/669183007.db2.gz ZHUKUTLZROUGJR-KGLIPLIRSA-N 1 0 343.424 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001061387102 669182875 /nfs/dbraw/zinc/18/28/75/669182875.db2.gz ZHUKUTLZROUGJR-UONOGXRCSA-N 1 0 343.424 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001061387103 669182704 /nfs/dbraw/zinc/18/27/04/669182704.db2.gz ZHUKUTLZROUGJR-ZIAGYGMSSA-N 1 0 343.424 -1.055 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001061416168 669192836 /nfs/dbraw/zinc/19/28/36/669192836.db2.gz GSOBAYSWAOTECH-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001061416169 669192713 /nfs/dbraw/zinc/19/27/13/669192713.db2.gz GSOBAYSWAOTECH-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001061418710 669193265 /nfs/dbraw/zinc/19/32/65/669193265.db2.gz BMMURXCOVCQNRJ-CHWSQXEVSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001061418711 669193251 /nfs/dbraw/zinc/19/32/51/669193251.db2.gz BMMURXCOVCQNRJ-QWHCGFSZSA-N 1 0 340.424 -1.051 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001061418834 669193562 /nfs/dbraw/zinc/19/35/62/669193562.db2.gz DEUZVYGQMLAXPQ-NWDGAFQWSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001061418835 669193472 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EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001061420211 669193954 /nfs/dbraw/zinc/19/39/54/669193954.db2.gz VULNWMVLZWLGBU-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061426749 669196026 /nfs/dbraw/zinc/19/60/26/669196026.db2.gz SXSPXNQHTFKEGS-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061426750 669195813 /nfs/dbraw/zinc/19/58/13/669195813.db2.gz SXSPXNQHTFKEGS-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061426751 669195804 /nfs/dbraw/zinc/19/58/04/669195804.db2.gz SXSPXNQHTFKEGS-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061426752 669196069 /nfs/dbraw/zinc/19/60/69/669196069.db2.gz SXSPXNQHTFKEGS-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O ZINC001061427021 669196611 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EAADRO CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061427780 669197073 /nfs/dbraw/zinc/19/70/73/669197073.db2.gz DOZSBYBJXDCGRC-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061427782 669197525 /nfs/dbraw/zinc/19/75/25/669197525.db2.gz DOZSBYBJXDCGRC-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061427791 669197539 /nfs/dbraw/zinc/19/75/39/669197539.db2.gz DUFILRNWKYLGEM-NEPJUHHUSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061427792 669197179 /nfs/dbraw/zinc/19/71/79/669197179.db2.gz DUFILRNWKYLGEM-NWDGAFQWSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061427793 669197475 /nfs/dbraw/zinc/19/74/75/669197475.db2.gz DUFILRNWKYLGEM-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061427794 669197241 /nfs/dbraw/zinc/19/72/41/669197241.db2.gz DUFILRNWKYLGEM-VXGBXAGGSA-N 1 0 326.397 -1.440 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061427946 669197107 /nfs/dbraw/zinc/19/71/07/669197107.db2.gz GJPNNXWMNBXKHJ-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061427948 669197388 /nfs/dbraw/zinc/19/73/88/669197388.db2.gz GJPNNXWMNBXKHJ-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061427949 669197513 /nfs/dbraw/zinc/19/75/13/669197513.db2.gz GJPNNXWMNBXKHJ-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061427951 669197346 /nfs/dbraw/zinc/19/73/46/669197346.db2.gz GJPNNXWMNBXKHJ-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061428059 669197453 /nfs/dbraw/zinc/19/74/53/669197453.db2.gz HSPDTXFBTRJOSE-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061428060 669197489 /nfs/dbraw/zinc/19/74/89/669197489.db2.gz HSPDTXFBTRJOSE-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061428161 669197283 /nfs/dbraw/zinc/19/72/83/669197283.db2.gz HSPDTXFBTRJOSE-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061428162 669197377 /nfs/dbraw/zinc/19/73/77/669197377.db2.gz HSPDTXFBTRJOSE-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001061428247 669198301 /nfs/dbraw/zinc/19/83/01/669198301.db2.gz IZWJJHRHCDDLFM-CHWSQXEVSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001061428248 669198236 /nfs/dbraw/zinc/19/82/36/669198236.db2.gz IZWJJHRHCDDLFM-OLZOCXBDSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001061428249 669198261 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CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)CCNC(N)=O)[NH+](C)C ZINC001061577414 669271362 /nfs/dbraw/zinc/27/13/62/669271362.db2.gz DGWSNKHDZNEATC-NEPJUHHUSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)CCNC(N)=O)[NH+](C)C ZINC001061577415 669271440 /nfs/dbraw/zinc/27/14/40/669271440.db2.gz DGWSNKHDZNEATC-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)CCNC(N)=O)[NH+](C)C ZINC001061577416 669271244 /nfs/dbraw/zinc/27/12/44/669271244.db2.gz DGWSNKHDZNEATC-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)CCNC(N)=O)[NH+](C)C ZINC001061577417 669271324 /nfs/dbraw/zinc/27/13/24/669271324.db2.gz DGWSNKHDZNEATC-VXGBXAGGSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCNC(N)=O ZINC001061577452 669271253 /nfs/dbraw/zinc/27/12/53/669271253.db2.gz DWPGLGNHDLNREX-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CCNC(N)=O ZINC001061577453 669271343 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C[NH+]1CCC(CC(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CC1 ZINC001061581690 669276116 /nfs/dbraw/zinc/27/61/16/669276116.db2.gz CJKURTHZYWYUGH-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CC1 ZINC001061581692 669276131 /nfs/dbraw/zinc/27/61/31/669276131.db2.gz CJKURTHZYWYUGH-LBPRGKRZSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC001061582894 669277315 /nfs/dbraw/zinc/27/73/15/669277315.db2.gz NMSZZWIJRJOCFM-CYBMUJFWSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC001061582895 669277320 /nfs/dbraw/zinc/27/73/20/669277320.db2.gz NMSZZWIJRJOCFM-ZDUSSCGKSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H](CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)NC(N)=O ZINC001061587612 669280718 /nfs/dbraw/zinc/28/07/18/669280718.db2.gz QQCZUENHRILOIS-NEPJUHHUSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@@H](CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)NC(N)=O ZINC001061587613 669280657 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CN(C)C(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061597465 669288389 /nfs/dbraw/zinc/28/83/89/669288389.db2.gz UVDJEIWVHLUNLW-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061598720 669290171 /nfs/dbraw/zinc/29/01/71/669290171.db2.gz CZRVSWQAPQAXDX-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061598721 669290132 /nfs/dbraw/zinc/29/01/32/669290132.db2.gz CZRVSWQAPQAXDX-LBPRGKRZSA-N 1 0 342.396 -1.218 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061598738 669289992 /nfs/dbraw/zinc/28/99/92/669289992.db2.gz DIGICMROICFEMU-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061598739 669290250 /nfs/dbraw/zinc/29/02/50/669290250.db2.gz DIGICMROICFEMU-QWHCGFSZSA-N 1 0 338.408 -1.296 20 0 EAADRO COCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001061598768 669290020 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Cn1cc(C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)nn1 ZINC001061599334 669291619 /nfs/dbraw/zinc/29/16/19/669291619.db2.gz AGMVKHWGURIOIO-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)nn1 ZINC001061599336 669291501 /nfs/dbraw/zinc/29/15/01/669291501.db2.gz AGMVKHWGURIOIO-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001061599338 669292254 /nfs/dbraw/zinc/29/22/54/669292254.db2.gz ALIZIDXAPRVCAL-GFCCVEGCSA-N 1 0 349.391 -1.177 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001061599344 669292431 /nfs/dbraw/zinc/29/24/31/669292431.db2.gz ALIZIDXAPRVCAL-LBPRGKRZSA-N 1 0 349.391 -1.177 20 0 EAADRO CCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599365 669292474 /nfs/dbraw/zinc/29/24/74/669292474.db2.gz QJWSKKYDOWTZTJ-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599366 669292284 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CC(=O)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599564 669292146 /nfs/dbraw/zinc/29/21/46/669292146.db2.gz SMKNPZWQCSQTNJ-CQSZACIVSA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@@H]1COCCO1 ZINC001061599761 669290671 /nfs/dbraw/zinc/29/06/71/669290671.db2.gz WXYOFAGXNRYPHL-KBPBESRZSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1 ZINC001061599762 669290983 /nfs/dbraw/zinc/29/09/83/669290983.db2.gz WXYOFAGXNRYPHL-KGLIPLIRSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@H]1COCCO1 ZINC001061599763 669290916 /nfs/dbraw/zinc/29/09/16/669290916.db2.gz WXYOFAGXNRYPHL-UONOGXRCSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1 ZINC001061599764 669290682 /nfs/dbraw/zinc/29/06/82/669290682.db2.gz WXYOFAGXNRYPHL-ZIAGYGMSSA-N 1 0 341.408 -1.159 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599895 669290753 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O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061599977 669290892 /nfs/dbraw/zinc/29/08/92/669290892.db2.gz DIGICMROICFEMU-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061599978 669290814 /nfs/dbraw/zinc/29/08/14/669290814.db2.gz DIGICMROICFEMU-STQMWFEESA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)Cn1cncn1 ZINC001061600003 669290584 /nfs/dbraw/zinc/29/05/84/669290584.db2.gz DSYKQTALMRUFTL-CYBMUJFWSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)Cn1cncn1 ZINC001061600004 669290761 /nfs/dbraw/zinc/29/07/61/669290761.db2.gz DSYKQTALMRUFTL-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO Cn1nncc1C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600005 669290925 /nfs/dbraw/zinc/29/09/25/669290925.db2.gz DTJLRASREQPCCH-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1nncc1C(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600006 669290882 /nfs/dbraw/zinc/29/08/82/669290882.db2.gz DTJLRASREQPCCH-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061600113 669290636 /nfs/dbraw/zinc/29/06/36/669290636.db2.gz HUANWEZTUGZGEU-NEPJUHHUSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061600114 669290797 /nfs/dbraw/zinc/29/07/97/669290797.db2.gz HUANWEZTUGZGEU-NWDGAFQWSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061600115 669291478 /nfs/dbraw/zinc/29/14/78/669291478.db2.gz HUANWEZTUGZGEU-RYUDHWBXSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061600116 669291730 /nfs/dbraw/zinc/29/17/30/669291730.db2.gz HUANWEZTUGZGEU-VXGBXAGGSA-N 1 0 340.380 -1.466 20 0 EAADRO Cn1cnc(C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)n1 ZINC001061600157 669291413 /nfs/dbraw/zinc/29/14/13/669291413.db2.gz IMLYGPBLNRXSTH-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)n1 ZINC001061600158 669291719 /nfs/dbraw/zinc/29/17/19/669291719.db2.gz IMLYGPBLNRXSTH-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)n1 ZINC001061600253 669291696 /nfs/dbraw/zinc/29/16/96/669291696.db2.gz KLJJGAOKMPGZOT-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)n1 ZINC001061600254 669291784 /nfs/dbraw/zinc/29/17/84/669291784.db2.gz KLJJGAOKMPGZOT-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600269 669291633 /nfs/dbraw/zinc/29/16/33/669291633.db2.gz LAPPIPPDAJDNEG-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600270 669291438 /nfs/dbraw/zinc/29/14/38/669291438.db2.gz LAPPIPPDAJDNEG-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061600291 669291423 /nfs/dbraw/zinc/29/14/23/669291423.db2.gz LKAGIWDSMODMNZ-NEPJUHHUSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061600292 669291323 /nfs/dbraw/zinc/29/13/23/669291323.db2.gz LKAGIWDSMODMNZ-NWDGAFQWSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061600293 669291560 /nfs/dbraw/zinc/29/15/60/669291560.db2.gz LKAGIWDSMODMNZ-RYUDHWBXSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061600294 669291873 /nfs/dbraw/zinc/29/18/73/669291873.db2.gz LKAGIWDSMODMNZ-VXGBXAGGSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)Cc1nnc[nH]1 ZINC001061600355 669291523 /nfs/dbraw/zinc/29/15/23/669291523.db2.gz MIUURYYXFLFPPI-GFCCVEGCSA-N 1 0 336.396 -1.213 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)Cc1nnc[nH]1 ZINC001061600356 669291859 /nfs/dbraw/zinc/29/18/59/669291859.db2.gz MIUURYYXFLFPPI-LBPRGKRZSA-N 1 0 336.396 -1.213 20 0 EAADRO NC(=O)NCCC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600359 669291332 /nfs/dbraw/zinc/29/13/32/669291332.db2.gz MLVFPRMGGNZNDA-GFCCVEGCSA-N 1 0 341.412 -1.516 20 0 EAADRO NC(=O)NCCC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600360 669291311 /nfs/dbraw/zinc/29/13/11/669291311.db2.gz MLVFPRMGGNZNDA-LBPRGKRZSA-N 1 0 341.412 -1.516 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600379 669291577 /nfs/dbraw/zinc/29/15/77/669291577.db2.gz NCSBEBHLRZNMML-UPJWGTAASA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600380 669291596 /nfs/dbraw/zinc/29/15/96/669291596.db2.gz NCSBEBHLRZNMML-XQQFMLRXSA-N 1 0 338.408 -1.453 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600515 669291744 /nfs/dbraw/zinc/29/17/44/669291744.db2.gz POMIBZMLKLETTK-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600516 669291351 /nfs/dbraw/zinc/29/13/51/669291351.db2.gz POMIBZMLKLETTK-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600704 669291665 /nfs/dbraw/zinc/29/16/65/669291665.db2.gz SIVRBHRQJKYHML-NWDGAFQWSA-N 1 0 341.412 -1.517 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600705 669291361 /nfs/dbraw/zinc/29/13/61/669291361.db2.gz SIVRBHRQJKYHML-RYUDHWBXSA-N 1 0 341.412 -1.517 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)Cn1nccn1 ZINC001061600706 669291754 /nfs/dbraw/zinc/29/17/54/669291754.db2.gz SLMIADOFHMLVBB-CYBMUJFWSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)Cn1nccn1 ZINC001061600707 669291850 /nfs/dbraw/zinc/29/18/50/669291850.db2.gz SLMIADOFHMLVBB-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061600742 669291381 /nfs/dbraw/zinc/29/13/81/669291381.db2.gz UFJFGWHBAIRSDX-GFCCVEGCSA-N 1 0 337.384 -1.888 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061600743 669291586 /nfs/dbraw/zinc/29/15/86/669291586.db2.gz UFJFGWHBAIRSDX-LBPRGKRZSA-N 1 0 337.384 -1.888 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600994 669291303 /nfs/dbraw/zinc/29/13/03/669291303.db2.gz WXBONVXCBQSEBE-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600995 669291491 /nfs/dbraw/zinc/29/14/91/669291491.db2.gz WXBONVXCBQSEBE-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061601145 669291812 /nfs/dbraw/zinc/29/18/12/669291812.db2.gz ZNUWTSYZPAQWRG-NEPJUHHUSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061601147 669291549 /nfs/dbraw/zinc/29/15/49/669291549.db2.gz ZNUWTSYZPAQWRG-NWDGAFQWSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061601149 669291839 /nfs/dbraw/zinc/29/18/39/669291839.db2.gz ZNUWTSYZPAQWRG-RYUDHWBXSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061601150 669291513 /nfs/dbraw/zinc/29/15/13/669291513.db2.gz ZNUWTSYZPAQWRG-VXGBXAGGSA-N 1 0 342.396 -2.216 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CNC(C)=O ZINC001061602008 669293014 /nfs/dbraw/zinc/29/30/14/669293014.db2.gz AMDHAZFFHJVSCS-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)CNC(C)=O ZINC001061602009 669292702 /nfs/dbraw/zinc/29/27/02/669292702.db2.gz AMDHAZFFHJVSCS-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061602086 669293052 /nfs/dbraw/zinc/29/30/52/669293052.db2.gz CDDVTBRWCBIVDT-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061602087 669292956 /nfs/dbraw/zinc/29/29/56/669292956.db2.gz CDDVTBRWCBIVDT-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061602088 669292724 /nfs/dbraw/zinc/29/27/24/669292724.db2.gz CDDVTBRWCBIVDT-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061602089 669292984 /nfs/dbraw/zinc/29/29/84/669292984.db2.gz CDDVTBRWCBIVDT-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(N)=O ZINC001061602212 669293425 /nfs/dbraw/zinc/29/34/25/669293425.db2.gz FESJTKKBIAUPKT-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(N)=O ZINC001061602213 669293682 /nfs/dbraw/zinc/29/36/82/669293682.db2.gz FESJTKKBIAUPKT-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061602280 669293637 /nfs/dbraw/zinc/29/36/37/669293637.db2.gz GTEHQCDWAUPGBX-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061602281 669293582 /nfs/dbraw/zinc/29/35/82/669293582.db2.gz GTEHQCDWAUPGBX-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061602282 669293435 /nfs/dbraw/zinc/29/34/35/669293435.db2.gz GTEHQCDWAUPGBX-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061602283 669293575 /nfs/dbraw/zinc/29/35/75/669293575.db2.gz GTEHQCDWAUPGBX-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC ZINC001061602526 669293545 /nfs/dbraw/zinc/29/35/45/669293545.db2.gz KWQRXCVYVYZITR-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NC ZINC001061602527 669293537 /nfs/dbraw/zinc/29/35/37/669293537.db2.gz KWQRXCVYVYZITR-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O ZINC001061602564 669293589 /nfs/dbraw/zinc/29/35/89/669293589.db2.gz LICKSHBQPYMHFL-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O ZINC001061602565 669293641 /nfs/dbraw/zinc/29/36/41/669293641.db2.gz LICKSHBQPYMHFL-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061602796 669294186 /nfs/dbraw/zinc/29/41/86/669294186.db2.gz QDRGFXMDPYDMHB-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061602797 669294194 /nfs/dbraw/zinc/29/41/94/669294194.db2.gz QDRGFXMDPYDMHB-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)c1nnn(C)n1 ZINC001061603422 669294783 /nfs/dbraw/zinc/29/47/83/669294783.db2.gz ADYXZNGUSJYFIA-LLVKDONJSA-N 1 0 339.400 -1.491 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)c1nnn(C)n1 ZINC001061603423 669294532 /nfs/dbraw/zinc/29/45/32/669294532.db2.gz ADYXZNGUSJYFIA-NSHDSACASA-N 1 0 339.400 -1.491 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061603710 669294582 /nfs/dbraw/zinc/29/45/82/669294582.db2.gz CEONICUAIAGCIQ-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061603711 669294500 /nfs/dbraw/zinc/29/45/00/669294500.db2.gz CEONICUAIAGCIQ-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 ZINC001061604192 669294606 /nfs/dbraw/zinc/29/46/06/669294606.db2.gz HKTUMPJLVPMTCV-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 ZINC001061604194 669294447 /nfs/dbraw/zinc/29/44/47/669294447.db2.gz HKTUMPJLVPMTCV-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O ZINC001061604205 669294489 /nfs/dbraw/zinc/29/44/89/669294489.db2.gz HQNSNACLJJOKLT-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O ZINC001061604206 669294911 /nfs/dbraw/zinc/29/49/11/669294911.db2.gz HQNSNACLJJOKLT-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061604714 669294896 /nfs/dbraw/zinc/29/48/96/669294896.db2.gz MDLFWGGUCVKCNC-UPJWGTAASA-N 1 0 340.424 -1.207 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061604715 669294794 /nfs/dbraw/zinc/29/47/94/669294794.db2.gz MDLFWGGUCVKCNC-XQQFMLRXSA-N 1 0 340.424 -1.207 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061604728 669294639 /nfs/dbraw/zinc/29/46/39/669294639.db2.gz MLMOVZXSVZQEQY-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061604729 669294883 /nfs/dbraw/zinc/29/48/83/669294883.db2.gz MLMOVZXSVZQEQY-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061604730 669295422 /nfs/dbraw/zinc/29/54/22/669295422.db2.gz MLMOVZXSVZQEQY-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061604731 669295285 /nfs/dbraw/zinc/29/52/85/669295285.db2.gz MLMOVZXSVZQEQY-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)NC ZINC001061604765 669295508 /nfs/dbraw/zinc/29/55/08/669295508.db2.gz MYKKOGFSRCDREM-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)NC ZINC001061604766 669295404 /nfs/dbraw/zinc/29/54/04/669295404.db2.gz MYKKOGFSRCDREM-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061605436 669294840 /nfs/dbraw/zinc/29/48/40/669294840.db2.gz SGUCQNHKJYEGHI-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061605437 669294773 /nfs/dbraw/zinc/29/47/73/669294773.db2.gz SGUCQNHKJYEGHI-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061605438 669294827 /nfs/dbraw/zinc/29/48/27/669294827.db2.gz SGUCQNHKJYEGHI-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061605439 669294658 /nfs/dbraw/zinc/29/46/58/669294658.db2.gz SGUCQNHKJYEGHI-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061606685 669296965 /nfs/dbraw/zinc/29/69/65/669296965.db2.gz UCFLVHLCRPLDER-GFCCVEGCSA-N 1 0 339.400 -1.643 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061606686 669296797 /nfs/dbraw/zinc/29/67/97/669296797.db2.gz UCFLVHLCRPLDER-LBPRGKRZSA-N 1 0 339.400 -1.643 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1COCCN1C(=O)CCn1ccnc1 ZINC001061606872 669295246 /nfs/dbraw/zinc/29/52/46/669295246.db2.gz XWZACEMNAUQQEM-GFCCVEGCSA-N 1 0 348.367 -1.697 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1COCCN1C(=O)CCn1ccnc1 ZINC001061606873 669295456 /nfs/dbraw/zinc/29/54/56/669295456.db2.gz XWZACEMNAUQQEM-LBPRGKRZSA-N 1 0 348.367 -1.697 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061608168 669299200 /nfs/dbraw/zinc/29/92/00/669299200.db2.gz BJLNJLAMIWQPQR-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061608169 669299179 /nfs/dbraw/zinc/29/91/79/669299179.db2.gz BJLNJLAMIWQPQR-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061608208 669299574 /nfs/dbraw/zinc/29/95/74/669299574.db2.gz CKNMHKTTYIJSPX-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061608209 669299934 /nfs/dbraw/zinc/29/99/34/669299934.db2.gz CKNMHKTTYIJSPX-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061608214 669299819 /nfs/dbraw/zinc/29/98/19/669299819.db2.gz CQIVBVDZPLCETR-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061608215 669299903 /nfs/dbraw/zinc/29/99/03/669299903.db2.gz CQIVBVDZPLCETR-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061608236 669299917 /nfs/dbraw/zinc/29/99/17/669299917.db2.gz CZIGPASRIINPMY-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061608237 669299588 /nfs/dbraw/zinc/29/95/88/669299588.db2.gz CZIGPASRIINPMY-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061608238 669299683 /nfs/dbraw/zinc/29/96/83/669299683.db2.gz CZIGPASRIINPMY-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061608239 669299875 /nfs/dbraw/zinc/29/98/75/669299875.db2.gz CZIGPASRIINPMY-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061608644 669301308 /nfs/dbraw/zinc/30/13/08/669301308.db2.gz MMBITSUZUAQUIH-GFCCVEGCSA-N 1 0 337.384 -1.888 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061608645 669301390 /nfs/dbraw/zinc/30/13/90/669301390.db2.gz MMBITSUZUAQUIH-LBPRGKRZSA-N 1 0 337.384 -1.888 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1)[NH+](C)C ZINC001061608872 669297385 /nfs/dbraw/zinc/29/73/85/669297385.db2.gz RZOGVFNNNKEQOL-NEPJUHHUSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1)[NH+](C)C ZINC001061608873 669297350 /nfs/dbraw/zinc/29/73/50/669297350.db2.gz RZOGVFNNNKEQOL-NWDGAFQWSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1)[NH+](C)C ZINC001061608874 669297607 /nfs/dbraw/zinc/29/76/07/669297607.db2.gz RZOGVFNNNKEQOL-RYUDHWBXSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1)[NH+](C)C ZINC001061608875 669297374 /nfs/dbraw/zinc/29/73/74/669297374.db2.gz RZOGVFNNNKEQOL-VXGBXAGGSA-N 1 0 339.400 -1.643 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061608894 669297454 /nfs/dbraw/zinc/29/74/54/669297454.db2.gz SJRGLNKEPIJYLZ-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061608895 669297689 /nfs/dbraw/zinc/29/76/89/669297689.db2.gz SJRGLNKEPIJYLZ-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061608972 669298292 /nfs/dbraw/zinc/29/82/92/669298292.db2.gz URNWGHVGHQNVJJ-GFCCVEGCSA-N 1 0 349.395 -1.888 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061608973 669298029 /nfs/dbraw/zinc/29/80/29/669298029.db2.gz URNWGHVGHQNVJJ-LBPRGKRZSA-N 1 0 349.395 -1.888 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001061609112 669301340 /nfs/dbraw/zinc/30/13/40/669301340.db2.gz XDJQRVSNNAJZCM-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001061609113 669301627 /nfs/dbraw/zinc/30/16/27/669301627.db2.gz XDJQRVSNNAJZCM-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001061609194 669301961 /nfs/dbraw/zinc/30/19/61/669301961.db2.gz YUTLACRGVJFFSH-NEPJUHHUSA-N 1 0 337.384 -2.032 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001061609195 669302237 /nfs/dbraw/zinc/30/22/37/669302237.db2.gz YUTLACRGVJFFSH-NWDGAFQWSA-N 1 0 337.384 -2.032 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001061609196 669302029 /nfs/dbraw/zinc/30/20/29/669302029.db2.gz YUTLACRGVJFFSH-RYUDHWBXSA-N 1 0 337.384 -2.032 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001061609197 669301924 /nfs/dbraw/zinc/30/19/24/669301924.db2.gz YUTLACRGVJFFSH-VXGBXAGGSA-N 1 0 337.384 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001061610406 669302799 /nfs/dbraw/zinc/30/27/99/669302799.db2.gz NNHKKZHSFPCDCX-GFCCVEGCSA-N 1 0 347.437 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001061610407 669302789 /nfs/dbraw/zinc/30/27/89/669302789.db2.gz NNHKKZHSFPCDCX-LBPRGKRZSA-N 1 0 347.437 -1.674 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 ZINC001061616210 669307592 /nfs/dbraw/zinc/30/75/92/669307592.db2.gz FJNZMSGCCAOTQQ-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 ZINC001061616211 669307332 /nfs/dbraw/zinc/30/73/32/669307332.db2.gz FJNZMSGCCAOTQQ-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO O=C(Cn1nccn1)NC[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061616512 669308261 /nfs/dbraw/zinc/30/82/61/669308261.db2.gz LVNDNEIAHCCYNR-CYBMUJFWSA-N 1 0 348.407 -1.283 20 0 EAADRO O=C(Cn1nccn1)NC[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061616513 669308159 /nfs/dbraw/zinc/30/81/59/669308159.db2.gz LVNDNEIAHCCYNR-ZDUSSCGKSA-N 1 0 348.407 -1.283 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1)[NH+](C)C ZINC001061616872 669306900 /nfs/dbraw/zinc/30/69/00/669306900.db2.gz UUKDGVPFDSULMF-CHWSQXEVSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1)[NH+](C)C ZINC001061616873 669306882 /nfs/dbraw/zinc/30/68/82/669306882.db2.gz UUKDGVPFDSULMF-OLZOCXBDSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1)[NH+](C)C ZINC001061616874 669307076 /nfs/dbraw/zinc/30/70/76/669307076.db2.gz UUKDGVPFDSULMF-QWHCGFSZSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1)[NH+](C)C ZINC001061616875 669306916 /nfs/dbraw/zinc/30/69/16/669306916.db2.gz UUKDGVPFDSULMF-STQMWFEESA-N 1 0 338.412 -1.038 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 ZINC001061617138 669308194 /nfs/dbraw/zinc/30/81/94/669308194.db2.gz ZTQXVLMQHCCCPW-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 ZINC001061617139 669308277 /nfs/dbraw/zinc/30/82/77/669308277.db2.gz ZTQXVLMQHCCCPW-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 ZINC001061618765 669309518 /nfs/dbraw/zinc/30/95/18/669309518.db2.gz KHCUNMNYFJMBMP-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 ZINC001061618766 669309509 /nfs/dbraw/zinc/30/95/09/669309509.db2.gz KHCUNMNYFJMBMP-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 ZINC001061619160 669310152 /nfs/dbraw/zinc/31/01/52/669310152.db2.gz NKESBRBIUGJQAC-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 ZINC001061619161 669310045 /nfs/dbraw/zinc/31/00/45/669310045.db2.gz NKESBRBIUGJQAC-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2nccn2)C1 ZINC001061619609 669309933 /nfs/dbraw/zinc/30/99/33/669309933.db2.gz SLTIEDMYNYTBIG-CHWSQXEVSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2nccn2)C1 ZINC001061619610 669309904 /nfs/dbraw/zinc/30/99/04/669309904.db2.gz SLTIEDMYNYTBIG-OLZOCXBDSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2nccn2)C1 ZINC001061619611 669309982 /nfs/dbraw/zinc/30/99/82/669309982.db2.gz SLTIEDMYNYTBIG-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2nccn2)C1 ZINC001061619612 669309770 /nfs/dbraw/zinc/30/97/70/669309770.db2.gz SLTIEDMYNYTBIG-STQMWFEESA-N 1 0 336.396 -1.427 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 ZINC001061619935 669309921 /nfs/dbraw/zinc/30/99/21/669309921.db2.gz XANRQPYXFSKLKH-CYBMUJFWSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 ZINC001061619936 669309858 /nfs/dbraw/zinc/30/98/58/669309858.db2.gz XANRQPYXFSKLKH-ZDUSSCGKSA-N 1 0 338.412 -1.038 20 0 EAADRO O=C(Cn1nccn1)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061620023 669310602 /nfs/dbraw/zinc/31/06/02/669310602.db2.gz YDGGKKGSUHNSCS-CYBMUJFWSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(Cn1nccn1)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061620024 669310706 /nfs/dbraw/zinc/31/07/06/669310706.db2.gz YDGGKKGSUHNSCS-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CNC(N)=O)CC[N@@H+]1C ZINC001061620807 669310879 /nfs/dbraw/zinc/31/08/79/669310879.db2.gz HKDPISVTHBWZIR-GRYCIOLGSA-N 1 0 341.412 -1.662 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CNC(N)=O)CC[N@@H+]1C ZINC001061620808 669310769 /nfs/dbraw/zinc/31/07/69/669310769.db2.gz HKDPISVTHBWZIR-IJLUTSLNSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061620975 669310859 /nfs/dbraw/zinc/31/08/59/669310859.db2.gz LJXZCOCKAUWKRA-FRRDWIJNSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061620976 669310581 /nfs/dbraw/zinc/31/05/81/669310581.db2.gz LJXZCOCKAUWKRA-JHJVBQTASA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621059 669310492 /nfs/dbraw/zinc/31/04/92/669310492.db2.gz MOXOCTTYXYAAIA-KWCYVHTRSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621060 669310516 /nfs/dbraw/zinc/31/05/16/669310516.db2.gz MOXOCTTYXYAAIA-MRVWCRGKSA-N 1 0 340.424 -1.194 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC001061632357 669315733 /nfs/dbraw/zinc/31/57/33/669315733.db2.gz GMSOCWTURAJESV-NEPJUHHUSA-N 1 0 346.403 -1.115 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC001061632358 669315949 /nfs/dbraw/zinc/31/59/49/669315949.db2.gz GMSOCWTURAJESV-NWDGAFQWSA-N 1 0 346.403 -1.115 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC001061632359 669316087 /nfs/dbraw/zinc/31/60/87/669316087.db2.gz GMSOCWTURAJESV-RYUDHWBXSA-N 1 0 346.403 -1.115 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC001061632360 669315859 /nfs/dbraw/zinc/31/58/59/669315859.db2.gz GMSOCWTURAJESV-VXGBXAGGSA-N 1 0 346.403 -1.115 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061633555 669315830 /nfs/dbraw/zinc/31/58/30/669315830.db2.gz VMNNVWFXMDBOBB-GHMZBOCLSA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061633556 669315696 /nfs/dbraw/zinc/31/56/96/669315696.db2.gz VMNNVWFXMDBOBB-MNOVXSKESA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061633557 669315905 /nfs/dbraw/zinc/31/59/05/669315905.db2.gz VMNNVWFXMDBOBB-QWRGUYRKSA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061633558 669315684 /nfs/dbraw/zinc/31/56/84/669315684.db2.gz VMNNVWFXMDBOBB-WDEREUQCSA-N 1 0 332.376 -1.505 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001061639119 669321017 /nfs/dbraw/zinc/32/10/17/669321017.db2.gz LNRYZYNBKVLWCD-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001061639120 669320869 /nfs/dbraw/zinc/32/08/69/669320869.db2.gz LNRYZYNBKVLWCD-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001061639121 669320682 /nfs/dbraw/zinc/32/06/82/669320682.db2.gz LNRYZYNBKVLWCD-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001061639122 669321088 /nfs/dbraw/zinc/32/10/88/669321088.db2.gz LNRYZYNBKVLWCD-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)CC1=O ZINC001061644645 669326650 /nfs/dbraw/zinc/32/66/50/669326650.db2.gz IBQRCBWPTJMLHP-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)CC1=O ZINC001061644646 669326518 /nfs/dbraw/zinc/32/65/18/669326518.db2.gz IBQRCBWPTJMLHP-OLZOCXBDSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)CC1=O ZINC001061644647 669326381 /nfs/dbraw/zinc/32/63/81/669326381.db2.gz IBQRCBWPTJMLHP-QWHCGFSZSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)CC1=O ZINC001061644648 669326647 /nfs/dbraw/zinc/32/66/47/669326647.db2.gz IBQRCBWPTJMLHP-STQMWFEESA-N 1 0 340.424 -1.240 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061645881 669325449 /nfs/dbraw/zinc/32/54/49/669325449.db2.gz GOIPPMBFXMXUQN-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061645882 669325168 /nfs/dbraw/zinc/32/51/68/669325168.db2.gz GOIPPMBFXMXUQN-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061645883 669325435 /nfs/dbraw/zinc/32/54/35/669325435.db2.gz GOIPPMBFXMXUQN-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061645884 669325385 /nfs/dbraw/zinc/32/53/85/669325385.db2.gz GOIPPMBFXMXUQN-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001061648035 669327204 /nfs/dbraw/zinc/32/72/04/669327204.db2.gz FMDWSWHXENORSG-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001061648036 669326977 /nfs/dbraw/zinc/32/69/77/669326977.db2.gz FMDWSWHXENORSG-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)NC ZINC001061648207 669327741 /nfs/dbraw/zinc/32/77/41/669327741.db2.gz JBVDLCXDMYMIKD-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)NC ZINC001061648208 669327676 /nfs/dbraw/zinc/32/76/76/669327676.db2.gz JBVDLCXDMYMIKD-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)NC)[NH+](C)C ZINC001061648291 669327572 /nfs/dbraw/zinc/32/75/72/669327572.db2.gz KUYAVWXKQKRMLM-NEPJUHHUSA-N 1 0 343.428 -1.401 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)NC)[NH+](C)C ZINC001061648292 669327601 /nfs/dbraw/zinc/32/76/01/669327601.db2.gz KUYAVWXKQKRMLM-NWDGAFQWSA-N 1 0 343.428 -1.401 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)NC)[NH+](C)C ZINC001061648293 669327482 /nfs/dbraw/zinc/32/74/82/669327482.db2.gz KUYAVWXKQKRMLM-RYUDHWBXSA-N 1 0 343.428 -1.401 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)NC)[NH+](C)C ZINC001061648294 669328337 /nfs/dbraw/zinc/32/83/37/669328337.db2.gz KUYAVWXKQKRMLM-VXGBXAGGSA-N 1 0 343.428 -1.401 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)NC ZINC001061648443 669331115 /nfs/dbraw/zinc/33/11/15/669331115.db2.gz NZJFBTPVMQGVLF-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)NC ZINC001061648444 669331349 /nfs/dbraw/zinc/33/13/49/669331349.db2.gz NZJFBTPVMQGVLF-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061648615 669331853 /nfs/dbraw/zinc/33/18/53/669331853.db2.gz RIMWPMORSYHJBE-NEPJUHHUSA-N 1 0 341.412 -1.789 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061648616 669331732 /nfs/dbraw/zinc/33/17/32/669331732.db2.gz RIMWPMORSYHJBE-NWDGAFQWSA-N 1 0 341.412 -1.789 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061648617 669331789 /nfs/dbraw/zinc/33/17/89/669331789.db2.gz RIMWPMORSYHJBE-RYUDHWBXSA-N 1 0 341.412 -1.789 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061648618 669331701 /nfs/dbraw/zinc/33/17/01/669331701.db2.gz RIMWPMORSYHJBE-VXGBXAGGSA-N 1 0 341.412 -1.789 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)CCC[NH+](C)C ZINC001061648635 669331697 /nfs/dbraw/zinc/33/16/97/669331697.db2.gz RWROXHGADFQPIZ-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)CCC[NH+](C)C ZINC001061648636 669331828 /nfs/dbraw/zinc/33/18/28/669331828.db2.gz RWROXHGADFQPIZ-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061648667 669331983 /nfs/dbraw/zinc/33/19/83/669331983.db2.gz SPHRNWYTUIRKCZ-LLVKDONJSA-N 1 0 329.401 -1.789 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061648668 669331967 /nfs/dbraw/zinc/33/19/67/669331967.db2.gz SPHRNWYTUIRKCZ-NSHDSACASA-N 1 0 329.401 -1.789 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)NC ZINC001061648731 669331894 /nfs/dbraw/zinc/33/18/94/669331894.db2.gz VAJXPKRCJHZGGT-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)NC ZINC001061648732 669331844 /nfs/dbraw/zinc/33/18/44/669331844.db2.gz VAJXPKRCJHZGGT-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061648899 669329707 /nfs/dbraw/zinc/32/97/07/669329707.db2.gz YFYKZGHGCWAIHH-GFCCVEGCSA-N 1 0 341.412 -1.645 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061648900 669329690 /nfs/dbraw/zinc/32/96/90/669329690.db2.gz YFYKZGHGCWAIHH-LBPRGKRZSA-N 1 0 341.412 -1.645 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C[N@H+](C)C(C)C ZINC001061648951 669329908 /nfs/dbraw/zinc/32/99/08/669329908.db2.gz ZHESFONHTUZZQH-GFCCVEGCSA-N 1 0 343.428 -1.401 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C[N@H+](C)C(C)C ZINC001061648952 669330016 /nfs/dbraw/zinc/33/00/16/669330016.db2.gz ZHESFONHTUZZQH-LBPRGKRZSA-N 1 0 343.428 -1.401 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001061649048 669330724 /nfs/dbraw/zinc/33/07/24/669330724.db2.gz AGYPJHVBUKUYTE-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001061649050 669330842 /nfs/dbraw/zinc/33/08/42/669330842.db2.gz AGYPJHVBUKUYTE-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O)[NH+]1CCCC1 ZINC001061650225 669333711 /nfs/dbraw/zinc/33/37/11/669333711.db2.gz PTNDCYLDJAYYRL-CHWSQXEVSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O)[NH+]1CCCC1 ZINC001061650226 669334144 /nfs/dbraw/zinc/33/41/44/669334144.db2.gz PTNDCYLDJAYYRL-OLZOCXBDSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@H]1COCCN1C(=O)C(N)=O)[NH+]1CCCC1 ZINC001061650227 669333803 /nfs/dbraw/zinc/33/38/03/669333803.db2.gz PTNDCYLDJAYYRL-QWHCGFSZSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H]1COCCN1C(=O)C(N)=O)[NH+]1CCCC1 ZINC001061650228 669333820 /nfs/dbraw/zinc/33/38/20/669333820.db2.gz PTNDCYLDJAYYRL-STQMWFEESA-N 1 0 340.424 -1.064 20 0 EAADRO CCS(=O)(=O)CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061650237 669334162 /nfs/dbraw/zinc/33/41/62/669334162.db2.gz PZGYZOARCFFOBZ-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO CCS(=O)(=O)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061650238 669334091 /nfs/dbraw/zinc/33/40/91/669334091.db2.gz PZGYZOARCFFOBZ-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001061650557 669334406 /nfs/dbraw/zinc/33/44/06/669334406.db2.gz YNUWOQUMGMPOIZ-CYBMUJFWSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001061650558 669334939 /nfs/dbraw/zinc/33/49/39/669334939.db2.gz YNUWOQUMGMPOIZ-ZDUSSCGKSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061650633 669332235 /nfs/dbraw/zinc/33/22/35/669332235.db2.gz AMUMBURVLZWAPQ-CHWSQXEVSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061650634 669332401 /nfs/dbraw/zinc/33/24/01/669332401.db2.gz AMUMBURVLZWAPQ-OLZOCXBDSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061650635 669332734 /nfs/dbraw/zinc/33/27/34/669332734.db2.gz AMUMBURVLZWAPQ-QWHCGFSZSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061650636 669332484 /nfs/dbraw/zinc/33/24/84/669332484.db2.gz AMUMBURVLZWAPQ-STQMWFEESA-N 1 0 340.424 -1.194 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061650669 669332603 /nfs/dbraw/zinc/33/26/03/669332603.db2.gz BBUAUXWNTZHNOY-GFCCVEGCSA-N 1 0 339.400 -1.643 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061650670 669332518 /nfs/dbraw/zinc/33/25/18/669332518.db2.gz BBUAUXWNTZHNOY-LBPRGKRZSA-N 1 0 339.400 -1.643 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001061650731 669332535 /nfs/dbraw/zinc/33/25/35/669332535.db2.gz CJOAFIKDZVPWMU-GFCCVEGCSA-N 1 0 343.428 -1.401 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001061650732 669332255 /nfs/dbraw/zinc/33/22/55/669332255.db2.gz CJOAFIKDZVPWMU-LBPRGKRZSA-N 1 0 343.428 -1.401 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061650753 669332638 /nfs/dbraw/zinc/33/26/38/669332638.db2.gz CSVIBCVIBZFWQN-GFCCVEGCSA-N 1 0 339.400 -1.643 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061650754 669332472 /nfs/dbraw/zinc/33/24/72/669332472.db2.gz CSVIBCVIBZFWQN-LBPRGKRZSA-N 1 0 339.400 -1.643 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061650801 669332422 /nfs/dbraw/zinc/33/24/22/669332422.db2.gz DKRKJZALSQEIJT-CHWSQXEVSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061650802 669332441 /nfs/dbraw/zinc/33/24/41/669332441.db2.gz DKRKJZALSQEIJT-OLZOCXBDSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061650803 669332682 /nfs/dbraw/zinc/33/26/82/669332682.db2.gz DKRKJZALSQEIJT-QWHCGFSZSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061650804 669332525 /nfs/dbraw/zinc/33/25/25/669332525.db2.gz DKRKJZALSQEIJT-STQMWFEESA-N 1 0 340.424 -1.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061650914 669332410 /nfs/dbraw/zinc/33/24/10/669332410.db2.gz DWLWAUMCPNWCNU-UPJWGTAASA-N 1 0 340.424 -1.208 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061650915 669332270 /nfs/dbraw/zinc/33/22/70/669332270.db2.gz DWLWAUMCPNWCNU-XQQFMLRXSA-N 1 0 340.424 -1.208 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O ZINC001061650984 669332545 /nfs/dbraw/zinc/33/25/45/669332545.db2.gz GQLDSJCGUYGNTK-LLVKDONJSA-N 1 0 329.401 -1.662 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O ZINC001061650985 669332280 /nfs/dbraw/zinc/33/22/80/669332280.db2.gz GQLDSJCGUYGNTK-NSHDSACASA-N 1 0 329.401 -1.662 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 ZINC001061651072 669335324 /nfs/dbraw/zinc/33/53/24/669335324.db2.gz IOJRDNYGOQTAOC-CYBMUJFWSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 ZINC001061651073 669335169 /nfs/dbraw/zinc/33/51/69/669335169.db2.gz IOJRDNYGOQTAOC-ZDUSSCGKSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061651218 669335356 /nfs/dbraw/zinc/33/53/56/669335356.db2.gz LUEUEXRSUMXQRU-NEPJUHHUSA-N 1 0 342.396 -1.221 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061651219 669335811 /nfs/dbraw/zinc/33/58/11/669335811.db2.gz LUEUEXRSUMXQRU-NWDGAFQWSA-N 1 0 342.396 -1.221 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061651220 669335720 /nfs/dbraw/zinc/33/57/20/669335720.db2.gz LUEUEXRSUMXQRU-RYUDHWBXSA-N 1 0 342.396 -1.221 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061651221 669335198 /nfs/dbraw/zinc/33/51/98/669335198.db2.gz LUEUEXRSUMXQRU-VXGBXAGGSA-N 1 0 342.396 -1.221 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O ZINC001061651256 669336391 /nfs/dbraw/zinc/33/63/91/669336391.db2.gz MEDDKKVEAFMFSL-GFCCVEGCSA-N 1 0 343.428 -1.271 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O ZINC001061651257 669336102 /nfs/dbraw/zinc/33/61/02/669336102.db2.gz MEDDKKVEAFMFSL-LBPRGKRZSA-N 1 0 343.428 -1.271 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001061651714 669336189 /nfs/dbraw/zinc/33/61/89/669336189.db2.gz VVLZZULASIPJHN-GFCCVEGCSA-N 1 0 328.413 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001061651715 669336539 /nfs/dbraw/zinc/33/65/39/669336539.db2.gz VVLZZULASIPJHN-LBPRGKRZSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(N)=O ZINC001061651842 669336250 /nfs/dbraw/zinc/33/62/50/669336250.db2.gz YCQSLBSFZQBELR-NWDGAFQWSA-N 1 0 343.428 -1.273 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(N)=O ZINC001061651843 669336580 /nfs/dbraw/zinc/33/65/80/669336580.db2.gz YCQSLBSFZQBELR-RYUDHWBXSA-N 1 0 343.428 -1.273 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061651846 669336372 /nfs/dbraw/zinc/33/63/72/669336372.db2.gz YDUFIHNPJYLBPV-NEPJUHHUSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061651847 669336088 /nfs/dbraw/zinc/33/60/88/669336088.db2.gz YDUFIHNPJYLBPV-NWDGAFQWSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061651848 669336223 /nfs/dbraw/zinc/33/62/23/669336223.db2.gz YDUFIHNPJYLBPV-RYUDHWBXSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061651849 669336313 /nfs/dbraw/zinc/33/63/13/669336313.db2.gz YDUFIHNPJYLBPV-VXGBXAGGSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)c1nnn(C)n1 ZINC001061651854 669336161 /nfs/dbraw/zinc/33/61/61/669336161.db2.gz YFZVENOQKYGLEK-LLVKDONJSA-N 1 0 339.400 -1.493 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)c1nnn(C)n1 ZINC001061651855 669336592 /nfs/dbraw/zinc/33/65/92/669336592.db2.gz YFZVENOQKYGLEK-NSHDSACASA-N 1 0 339.400 -1.493 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 ZINC001061651912 669336567 /nfs/dbraw/zinc/33/65/67/669336567.db2.gz ZDYXZWLTTOPSFR-CYBMUJFWSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 ZINC001061651913 669336604 /nfs/dbraw/zinc/33/66/04/669336604.db2.gz ZDYXZWLTTOPSFR-ZDUSSCGKSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001061654859 669336440 /nfs/dbraw/zinc/33/64/40/669336440.db2.gz DMPRJHGRVWWVRH-DZGCQCFKSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001061654860 669336207 /nfs/dbraw/zinc/33/62/07/669336207.db2.gz DMPRJHGRVWWVRH-HIFRSBDPSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001061654861 669336621 /nfs/dbraw/zinc/33/66/21/669336621.db2.gz DMPRJHGRVWWVRH-UKRRQHHQSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001061654862 669336499 /nfs/dbraw/zinc/33/64/99/669336499.db2.gz DMPRJHGRVWWVRH-ZFWWWQNUSA-N 1 0 340.424 -1.194 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H]2COCCN2C(=O)CNC(N)=O)CCC1 ZINC001061654865 669336451 /nfs/dbraw/zinc/33/64/51/669336451.db2.gz DPVCZSXMGRXMKK-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2COCCN2C(=O)CNC(N)=O)CCC1 ZINC001061654866 669336120 /nfs/dbraw/zinc/33/61/20/669336120.db2.gz DPVCZSXMGRXMKK-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O)C1CC1 ZINC001061654953 669336524 /nfs/dbraw/zinc/33/65/24/669336524.db2.gz FZSSDRLANIXZMM-BXUZGUMPSA-N 1 0 326.397 -1.454 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O)C1CC1 ZINC001061654954 669336516 /nfs/dbraw/zinc/33/65/16/669336516.db2.gz FZSSDRLANIXZMM-FZMZJTMJSA-N 1 0 326.397 -1.454 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O)C1CC1 ZINC001061654955 669336293 /nfs/dbraw/zinc/33/62/93/669336293.db2.gz FZSSDRLANIXZMM-RISCZKNCSA-N 1 0 326.397 -1.454 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O)C1CC1 ZINC001061654956 669336489 /nfs/dbraw/zinc/33/64/89/669336489.db2.gz FZSSDRLANIXZMM-SMDDNHRTSA-N 1 0 326.397 -1.454 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001061655153 669337127 /nfs/dbraw/zinc/33/71/27/669337127.db2.gz JYBHXLXZWLSBCM-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001061655154 669337013 /nfs/dbraw/zinc/33/70/13/669337013.db2.gz JYBHXLXZWLSBCM-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001061655293 669337082 /nfs/dbraw/zinc/33/70/82/669337082.db2.gz MMSAMQGZGFNIQF-DOMZBBRYSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001061655294 669336841 /nfs/dbraw/zinc/33/68/41/669336841.db2.gz MMSAMQGZGFNIQF-IUODEOHRSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001061655295 669337105 /nfs/dbraw/zinc/33/71/05/669337105.db2.gz MMSAMQGZGFNIQF-SWLSCSKDSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001061655296 669336855 /nfs/dbraw/zinc/33/68/55/669336855.db2.gz MMSAMQGZGFNIQF-WFASDCNBSA-N 1 0 340.424 -1.194 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CCC1 ZINC001061655343 669336879 /nfs/dbraw/zinc/33/68/79/669336879.db2.gz NLWNRDFZMVPQRU-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CCC1 ZINC001061655344 669337076 /nfs/dbraw/zinc/33/70/76/669337076.db2.gz NLWNRDFZMVPQRU-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001061655711 669336921 /nfs/dbraw/zinc/33/69/21/669336921.db2.gz VHUJSRDOCXIRQH-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001061655712 669337152 /nfs/dbraw/zinc/33/71/52/669337152.db2.gz VHUJSRDOCXIRQH-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O)C1CC1 ZINC001061655787 669337117 /nfs/dbraw/zinc/33/71/17/669337117.db2.gz WBXYUZDPLLSFNE-AAEUAGOBSA-N 1 0 341.412 -1.662 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O)C1CC1 ZINC001061655788 669337142 /nfs/dbraw/zinc/33/71/42/669337142.db2.gz WBXYUZDPLLSFNE-DGCLKSJQSA-N 1 0 341.412 -1.662 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O)C1CC1 ZINC001061655789 669337718 /nfs/dbraw/zinc/33/77/18/669337718.db2.gz WBXYUZDPLLSFNE-WCQYABFASA-N 1 0 341.412 -1.662 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O)C1CC1 ZINC001061655790 669337622 /nfs/dbraw/zinc/33/76/22/669337622.db2.gz WBXYUZDPLLSFNE-YPMHNXCESA-N 1 0 341.412 -1.662 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O)[NH+](C)C ZINC001061657193 669339657 /nfs/dbraw/zinc/33/96/57/669339657.db2.gz DWDNCWCXYIGOPJ-AAEUAGOBSA-N 1 0 343.428 -1.416 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O)[NH+](C)C ZINC001061657194 669339646 /nfs/dbraw/zinc/33/96/46/669339646.db2.gz DWDNCWCXYIGOPJ-YPMHNXCESA-N 1 0 343.428 -1.416 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001061657510 669337852 /nfs/dbraw/zinc/33/78/52/669337852.db2.gz MCHUOGOSIFHSGT-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001061657512 669337553 /nfs/dbraw/zinc/33/75/53/669337553.db2.gz MCHUOGOSIFHSGT-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061657605 669337559 /nfs/dbraw/zinc/33/75/59/669337559.db2.gz MKKOWFLLIQSFNI-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061657606 669337465 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CC[C@H](C(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1)[NH+](C)C ZINC001061681157 669362259 /nfs/dbraw/zinc/36/22/59/669362259.db2.gz NRTRSXPJFAABFO-CHWSQXEVSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1)[NH+](C)C ZINC001061681159 669362155 /nfs/dbraw/zinc/36/21/55/669362155.db2.gz NRTRSXPJFAABFO-QWHCGFSZSA-N 1 0 338.412 -1.038 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCCC(N)=O ZINC001061683589 669366216 /nfs/dbraw/zinc/36/62/16/669366216.db2.gz GLEQDXWILIHSGG-GFCCVEGCSA-N 1 0 328.413 -1.063 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CCCC(N)=O ZINC001061683590 669365908 /nfs/dbraw/zinc/36/59/08/669365908.db2.gz GLEQDXWILIHSGG-LBPRGKRZSA-N 1 0 328.413 -1.063 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H]2COCCN2C(=O)CNC(N)=O)CC1 ZINC001061684057 669366573 /nfs/dbraw/zinc/36/65/73/669366573.db2.gz LKGUBUFFHJEDEU-GFCCVEGCSA-N 1 0 341.412 -1.660 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H]2COCCN2C(=O)CNC(N)=O)CC1 ZINC001061684059 669366722 /nfs/dbraw/zinc/36/67/22/669366722.db2.gz LKGUBUFFHJEDEU-LBPRGKRZSA-N 1 0 341.412 -1.660 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001061684120 669366698 /nfs/dbraw/zinc/36/66/98/669366698.db2.gz MGWJQDRXALJOLB-AWEZNQCLSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001061684121 669366800 /nfs/dbraw/zinc/36/68/00/669366800.db2.gz MGWJQDRXALJOLB-CQSZACIVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CCCC(N)=O)C1 ZINC001061684447 669368443 /nfs/dbraw/zinc/36/84/43/669368443.db2.gz QBOOCUMJPZWGMX-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCCC(N)=O)C1 ZINC001061684448 669368431 /nfs/dbraw/zinc/36/84/31/669368431.db2.gz QBOOCUMJPZWGMX-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCCC(N)=O)C1 ZINC001061684449 669368817 /nfs/dbraw/zinc/36/88/17/669368817.db2.gz QBOOCUMJPZWGMX-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCCC(N)=O)C1 ZINC001061684450 669368767 /nfs/dbraw/zinc/36/87/67/669368767.db2.gz QBOOCUMJPZWGMX-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001061690690 669372685 /nfs/dbraw/zinc/37/26/85/669372685.db2.gz MMBWIKGAGUYHCG-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001061690691 669373447 /nfs/dbraw/zinc/37/34/47/669373447.db2.gz MMBWIKGAGUYHCG-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001061690692 669372802 /nfs/dbraw/zinc/37/28/02/669372802.db2.gz MMBWIKGAGUYHCG-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001061690693 669372729 /nfs/dbraw/zinc/37/27/29/669372729.db2.gz MMBWIKGAGUYHCG-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001061690922 669372780 /nfs/dbraw/zinc/37/27/80/669372780.db2.gz PHQZZJXILKICJK-KBPBESRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001061690923 669373312 /nfs/dbraw/zinc/37/33/12/669373312.db2.gz PHQZZJXILKICJK-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001061690924 669373431 /nfs/dbraw/zinc/37/34/31/669373431.db2.gz PHQZZJXILKICJK-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001061690925 669373337 /nfs/dbraw/zinc/37/33/37/669373337.db2.gz PHQZZJXILKICJK-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O ZINC001061691609 669372881 /nfs/dbraw/zinc/37/28/81/669372881.db2.gz WJEAXIBEULJWHH-NEPJUHHUSA-N 1 0 341.412 -1.517 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O ZINC001061691610 669372849 /nfs/dbraw/zinc/37/28/49/669372849.db2.gz WJEAXIBEULJWHH-NWDGAFQWSA-N 1 0 341.412 -1.517 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O ZINC001061691611 669373403 /nfs/dbraw/zinc/37/34/03/669373403.db2.gz WJEAXIBEULJWHH-RYUDHWBXSA-N 1 0 341.412 -1.517 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O ZINC001061691612 669373195 /nfs/dbraw/zinc/37/31/95/669373195.db2.gz WJEAXIBEULJWHH-VXGBXAGGSA-N 1 0 341.412 -1.517 20 0 EAADRO C[C@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061692869 669374536 /nfs/dbraw/zinc/37/45/36/669374536.db2.gz IWAXYJPRPIGDOO-NEPJUHHUSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061692870 669374371 /nfs/dbraw/zinc/37/43/71/669374371.db2.gz IWAXYJPRPIGDOO-NWDGAFQWSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061692871 669374539 /nfs/dbraw/zinc/37/45/39/669374539.db2.gz IWAXYJPRPIGDOO-RYUDHWBXSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061692872 669374262 /nfs/dbraw/zinc/37/42/62/669374262.db2.gz IWAXYJPRPIGDOO-VXGBXAGGSA-N 1 0 349.453 -1.285 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001061692947 669374560 /nfs/dbraw/zinc/37/45/60/669374560.db2.gz KTBQYRIDXBRIPS-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CCS(C)(=O)=O ZINC001061692948 669374393 /nfs/dbraw/zinc/37/43/93/669374393.db2.gz KTBQYRIDXBRIPS-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001061693487 669374045 /nfs/dbraw/zinc/37/40/45/669374045.db2.gz DAWAIKIEGAHBQL-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001061693488 669373840 /nfs/dbraw/zinc/37/38/40/669373840.db2.gz DAWAIKIEGAHBQL-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001061693489 669373699 /nfs/dbraw/zinc/37/36/99/669373699.db2.gz DAWAIKIEGAHBQL-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001061693490 669373722 /nfs/dbraw/zinc/37/37/22/669373722.db2.gz DAWAIKIEGAHBQL-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001061697875 669376427 /nfs/dbraw/zinc/37/64/27/669376427.db2.gz XUMJFGOSPMOBFT-LLVKDONJSA-N 1 0 340.384 -1.660 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001061697876 669376489 /nfs/dbraw/zinc/37/64/89/669376489.db2.gz XUMJFGOSPMOBFT-NSHDSACASA-N 1 0 340.384 -1.660 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001061700429 669378238 /nfs/dbraw/zinc/37/82/38/669378238.db2.gz DPHNTOPECSBGMM-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001061700430 669377994 /nfs/dbraw/zinc/37/79/94/669377994.db2.gz DPHNTOPECSBGMM-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001061700431 669378396 /nfs/dbraw/zinc/37/83/96/669378396.db2.gz DPHNTOPECSBGMM-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001061700432 669378275 /nfs/dbraw/zinc/37/82/75/669378275.db2.gz DPHNTOPECSBGMM-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)CC1 ZINC001061700639 669380059 /nfs/dbraw/zinc/38/00/59/669380059.db2.gz IRTXPYGANZNRNM-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)CC1 ZINC001061700640 669380280 /nfs/dbraw/zinc/38/02/80/669380280.db2.gz IRTXPYGANZNRNM-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001061719988 669387595 /nfs/dbraw/zinc/38/75/95/669387595.db2.gz UYSAIQSWQLVUAE-BLLLJJGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@]1(C)CNC(=O)C1 ZINC001061719990 669387884 /nfs/dbraw/zinc/38/78/84/669387884.db2.gz UYSAIQSWQLVUAE-LRDDRELGSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001061719992 669387747 /nfs/dbraw/zinc/38/77/47/669387747.db2.gz UYSAIQSWQLVUAE-MLGOLLRUSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@]1(C)CNC(=O)C1 ZINC001061719994 669387680 /nfs/dbraw/zinc/38/76/80/669387680.db2.gz UYSAIQSWQLVUAE-WBMJQRKESA-N 1 0 340.424 -1.192 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001061721075 669389029 /nfs/dbraw/zinc/38/90/29/669389029.db2.gz XDPYACBAPMLSCX-CHWSQXEVSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001061721076 669389602 /nfs/dbraw/zinc/38/96/02/669389602.db2.gz XDPYACBAPMLSCX-OLZOCXBDSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001061721077 669389127 /nfs/dbraw/zinc/38/91/27/669389127.db2.gz XDPYACBAPMLSCX-QWHCGFSZSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001061721078 669389444 /nfs/dbraw/zinc/38/94/44/669389444.db2.gz XDPYACBAPMLSCX-STQMWFEESA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O ZINC001061722281 669389184 /nfs/dbraw/zinc/38/91/84/669389184.db2.gz CDNYLMNFHGDKEU-LLVKDONJSA-N 1 0 345.400 -2.424 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O ZINC001061722282 669389092 /nfs/dbraw/zinc/38/90/92/669389092.db2.gz CDNYLMNFHGDKEU-NSHDSACASA-N 1 0 345.400 -2.424 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 ZINC001061722419 669390278 /nfs/dbraw/zinc/39/02/78/669390278.db2.gz FPYSWZZGESXYIT-LLVKDONJSA-N 1 0 341.368 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 ZINC001061722420 669389891 /nfs/dbraw/zinc/38/98/91/669389891.db2.gz FPYSWZZGESXYIT-NSHDSACASA-N 1 0 341.368 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]n1 ZINC001061722431 669389876 /nfs/dbraw/zinc/38/98/76/669389876.db2.gz FYAOCAMIGSJPRU-LLVKDONJSA-N 1 0 340.384 -1.660 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]n1 ZINC001061722432 669389971 /nfs/dbraw/zinc/38/99/71/669389971.db2.gz FYAOCAMIGSJPRU-NSHDSACASA-N 1 0 340.384 -1.660 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 ZINC001061722521 669390282 /nfs/dbraw/zinc/39/02/82/669390282.db2.gz HLBFIDNCIALZIQ-GFCCVEGCSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 ZINC001061722522 669390336 /nfs/dbraw/zinc/39/03/36/669390336.db2.gz HLBFIDNCIALZIQ-LBPRGKRZSA-N 1 0 339.396 -1.055 20 0 EAADRO CCOCC(=O)N1CCOC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001061722630 669390165 /nfs/dbraw/zinc/39/01/65/669390165.db2.gz ISWGUJKPVUCJJW-CYBMUJFWSA-N 1 0 331.413 -1.055 20 0 EAADRO CCOCC(=O)N1CCOC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001061722631 669390049 /nfs/dbraw/zinc/39/00/49/669390049.db2.gz ISWGUJKPVUCJJW-ZDUSSCGKSA-N 1 0 331.413 -1.055 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001061722756 669390190 /nfs/dbraw/zinc/39/01/90/669390190.db2.gz KXMCNDWBWPQGKH-KBPBESRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001061722757 669390261 /nfs/dbraw/zinc/39/02/61/669390261.db2.gz KXMCNDWBWPQGKH-KGLIPLIRSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001061722758 669389792 /nfs/dbraw/zinc/38/97/92/669389792.db2.gz KXMCNDWBWPQGKH-UONOGXRCSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001061722759 669389813 /nfs/dbraw/zinc/38/98/13/669389813.db2.gz KXMCNDWBWPQGKH-ZIAGYGMSSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 ZINC001061722810 669389904 /nfs/dbraw/zinc/38/99/04/669389904.db2.gz LSCKOUQLSYWFBF-GFCCVEGCSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 ZINC001061722811 669389981 /nfs/dbraw/zinc/38/99/81/669389981.db2.gz LSCKOUQLSYWFBF-LBPRGKRZSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 ZINC001061722830 669390056 /nfs/dbraw/zinc/39/00/56/669390056.db2.gz MEIZCHZJJQXMKU-LLVKDONJSA-N 1 0 340.384 -1.660 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 ZINC001061722831 669389858 /nfs/dbraw/zinc/38/98/58/669389858.db2.gz MEIZCHZJJQXMKU-NSHDSACASA-N 1 0 340.384 -1.660 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001061722844 669389885 /nfs/dbraw/zinc/38/98/85/669389885.db2.gz MFQFXLRFSMBOKM-GFCCVEGCSA-N 1 0 338.408 -1.438 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001061722845 669389930 /nfs/dbraw/zinc/38/99/30/669389930.db2.gz MFQFXLRFSMBOKM-LBPRGKRZSA-N 1 0 338.408 -1.438 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCOC1 ZINC001061722984 669390300 /nfs/dbraw/zinc/39/03/00/669390300.db2.gz OZLIZALIYOUYTN-KBPBESRZSA-N 1 0 343.424 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCOC1 ZINC001061722985 669390181 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ZINC001061778804 669419563 /nfs/dbraw/zinc/41/95/63/669419563.db2.gz VGUKIBUAOFGPLR-LLVKDONJSA-N 1 0 339.400 -1.491 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001061778805 669419731 /nfs/dbraw/zinc/41/97/31/669419731.db2.gz VGUKIBUAOFGPLR-NSHDSACASA-N 1 0 339.400 -1.491 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)n1 ZINC001061778968 669419557 /nfs/dbraw/zinc/41/95/57/669419557.db2.gz YFAKIIPLEZWYFB-JTQLQIEISA-N 1 0 325.373 -1.881 20 0 EAADRO Cn1nnc(C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)n1 ZINC001061778969 669419644 /nfs/dbraw/zinc/41/96/44/669419644.db2.gz YFAKIIPLEZWYFB-SNVBAGLBSA-N 1 0 325.373 -1.881 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001061780592 669419660 /nfs/dbraw/zinc/41/96/60/669419660.db2.gz WTRHIJYTWRIJAV-LLVKDONJSA-N 1 0 339.400 -1.493 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001061780593 669419698 /nfs/dbraw/zinc/41/96/98/669419698.db2.gz WTRHIJYTWRIJAV-NSHDSACASA-N 1 0 339.400 -1.493 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)C1=O ZINC001061784892 669421423 /nfs/dbraw/zinc/42/14/23/669421423.db2.gz KQDBTTKUUWXKGG-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)C1=O ZINC001061784893 669421487 /nfs/dbraw/zinc/42/14/87/669421487.db2.gz KQDBTTKUUWXKGG-OLZOCXBDSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)C1=O ZINC001061784895 669421529 /nfs/dbraw/zinc/42/15/29/669421529.db2.gz KQDBTTKUUWXKGG-QWHCGFSZSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)C1=O ZINC001061784896 669421560 /nfs/dbraw/zinc/42/15/60/669421560.db2.gz KQDBTTKUUWXKGG-STQMWFEESA-N 1 0 340.424 -1.240 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061799328 669426834 /nfs/dbraw/zinc/42/68/34/669426834.db2.gz RYBQKKAAWOFURH-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061799329 669426814 /nfs/dbraw/zinc/42/68/14/669426814.db2.gz RYBQKKAAWOFURH-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 ZINC001061806314 669429076 /nfs/dbraw/zinc/42/90/76/669429076.db2.gz LVQGTYTZUUYORA-LLVKDONJSA-N 1 0 341.368 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 ZINC001061806315 669429191 /nfs/dbraw/zinc/42/91/91/669429191.db2.gz LVQGTYTZUUYORA-NSHDSACASA-N 1 0 341.368 -1.395 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CC1 ZINC001061815981 669434265 /nfs/dbraw/zinc/43/42/65/669434265.db2.gz HLMSIZMWLRWZAJ-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CC1 ZINC001061815982 669434155 /nfs/dbraw/zinc/43/41/55/669434155.db2.gz HLMSIZMWLRWZAJ-LBPRGKRZSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCn1cnnn1 ZINC001061816282 669433223 /nfs/dbraw/zinc/43/32/23/669433223.db2.gz MAXYOVMSNDYGRF-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001061816283 669433130 /nfs/dbraw/zinc/43/31/30/669433130.db2.gz MAXYOVMSNDYGRF-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC001061816823 669433838 /nfs/dbraw/zinc/43/38/38/669433838.db2.gz YGGLRLDUKRWDIG-CYBMUJFWSA-N 1 0 340.424 -1.063 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC001061816824 669433717 /nfs/dbraw/zinc/43/37/17/669433717.db2.gz YGGLRLDUKRWDIG-ZDUSSCGKSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001061824455 669438689 /nfs/dbraw/zinc/43/86/89/669438689.db2.gz PPPBARIBNJWPKK-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC001061824456 669438727 /nfs/dbraw/zinc/43/87/27/669438727.db2.gz PPPBARIBNJWPKK-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC001061825595 669440015 /nfs/dbraw/zinc/44/00/15/669440015.db2.gz JVNCDICESGLQLD-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CC1 ZINC001061825596 669440057 /nfs/dbraw/zinc/44/00/57/669440057.db2.gz JVNCDICESGLQLD-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001061825865 669440012 /nfs/dbraw/zinc/44/00/12/669440012.db2.gz NEBYDQDPNFBQMI-LLVKDONJSA-N 1 0 337.380 -1.321 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001061825866 669439943 /nfs/dbraw/zinc/43/99/43/669439943.db2.gz NEBYDQDPNFBQMI-NSHDSACASA-N 1 0 337.380 -1.321 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2COCCN2C(=O)CNC(N)=O)CC1 ZINC001061825934 669440078 /nfs/dbraw/zinc/44/00/78/669440078.db2.gz OELFYUQLCPSIBQ-LLVKDONJSA-N 1 0 341.412 -1.660 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2COCCN2C(=O)CNC(N)=O)CC1 ZINC001061825936 669439843 /nfs/dbraw/zinc/43/98/43/669439843.db2.gz OELFYUQLCPSIBQ-NSHDSACASA-N 1 0 341.412 -1.660 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061826127 669438703 /nfs/dbraw/zinc/43/87/03/669438703.db2.gz QTKZRPVVAKQAOU-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061826128 669438573 /nfs/dbraw/zinc/43/85/73/669438573.db2.gz QTKZRPVVAKQAOU-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O ZINC001061826201 669440804 /nfs/dbraw/zinc/44/08/04/669440804.db2.gz RWLOFRYXCDAGIR-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O ZINC001061826202 669440642 /nfs/dbraw/zinc/44/06/42/669440642.db2.gz RWLOFRYXCDAGIR-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CC1 ZINC001061826523 669441306 /nfs/dbraw/zinc/44/13/06/669441306.db2.gz VHVBYHHTWBKCKX-LLVKDONJSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CC1 ZINC001061826525 669441057 /nfs/dbraw/zinc/44/10/57/669441057.db2.gz VHVBYHHTWBKCKX-NSHDSACASA-N 1 0 342.396 -2.074 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001061826662 669441068 /nfs/dbraw/zinc/44/10/68/669441068.db2.gz VNVNQVAZBWGLLP-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001061826664 669441383 /nfs/dbraw/zinc/44/13/83/669441383.db2.gz VNVNQVAZBWGLLP-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001061826719 669441420 /nfs/dbraw/zinc/44/14/20/669441420.db2.gz WOGIDPFVPLIXNS-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001061826720 669441226 /nfs/dbraw/zinc/44/12/26/669441226.db2.gz WOGIDPFVPLIXNS-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001061826727 669441267 /nfs/dbraw/zinc/44/12/67/669441267.db2.gz WUIWQWRZJDNUGB-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001061826728 669441394 /nfs/dbraw/zinc/44/13/94/669441394.db2.gz WUIWQWRZJDNUGB-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061827138 669441856 /nfs/dbraw/zinc/44/18/56/669441856.db2.gz FLNFKJZBFUSPSV-GHMZBOCLSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061827139 669441975 /nfs/dbraw/zinc/44/19/75/669441975.db2.gz FLNFKJZBFUSPSV-MNOVXSKESA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061827140 669441762 /nfs/dbraw/zinc/44/17/62/669441762.db2.gz FLNFKJZBFUSPSV-QWRGUYRKSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061827141 669441971 /nfs/dbraw/zinc/44/19/71/669441971.db2.gz FLNFKJZBFUSPSV-WDEREUQCSA-N 1 0 327.385 -2.037 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061827683 669441929 /nfs/dbraw/zinc/44/19/29/669441929.db2.gz KIIIGFWBRUPTFY-NEPJUHHUSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061827685 669441801 /nfs/dbraw/zinc/44/18/01/669441801.db2.gz KIIIGFWBRUPTFY-NWDGAFQWSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061827686 669441940 /nfs/dbraw/zinc/44/19/40/669441940.db2.gz KIIIGFWBRUPTFY-RYUDHWBXSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061827687 669441959 /nfs/dbraw/zinc/44/19/59/669441959.db2.gz KIIIGFWBRUPTFY-VXGBXAGGSA-N 1 0 341.412 -1.648 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061827742 669441842 /nfs/dbraw/zinc/44/18/42/669441842.db2.gz LHMLUZMKSDPUSO-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061827743 669441914 /nfs/dbraw/zinc/44/19/14/669441914.db2.gz LHMLUZMKSDPUSO-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061827744 669441864 /nfs/dbraw/zinc/44/18/64/669441864.db2.gz LHMLUZMKSDPUSO-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061827745 669441878 /nfs/dbraw/zinc/44/18/78/669441878.db2.gz LHMLUZMKSDPUSO-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061827881 669441900 /nfs/dbraw/zinc/44/19/00/669441900.db2.gz MRMFKQZIWBOTIG-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061827883 669441829 /nfs/dbraw/zinc/44/18/29/669441829.db2.gz MRMFKQZIWBOTIG-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)CS(C)(=O)=O ZINC001061828190 669442523 /nfs/dbraw/zinc/44/25/23/669442523.db2.gz QDZYIEKLPDKHOY-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)CS(C)(=O)=O ZINC001061828191 669442563 /nfs/dbraw/zinc/44/25/63/669442563.db2.gz QDZYIEKLPDKHOY-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061828214 669442266 /nfs/dbraw/zinc/44/22/66/669442266.db2.gz QRQPLABLDQRCTL-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061828215 669442556 /nfs/dbraw/zinc/44/25/56/669442556.db2.gz QRQPLABLDQRCTL-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061828216 669442230 /nfs/dbraw/zinc/44/22/30/669442230.db2.gz QRQPLABLDQRCTL-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061828217 669442493 /nfs/dbraw/zinc/44/24/93/669442493.db2.gz QRQPLABLDQRCTL-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061828238 669442435 /nfs/dbraw/zinc/44/24/35/669442435.db2.gz REEAFMBUODQLPX-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061828239 669442439 /nfs/dbraw/zinc/44/24/39/669442439.db2.gz REEAFMBUODQLPX-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061828240 669442369 /nfs/dbraw/zinc/44/23/69/669442369.db2.gz REEAFMBUODQLPX-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061828241 669442312 /nfs/dbraw/zinc/44/23/12/669442312.db2.gz REEAFMBUODQLPX-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001061828531 669440577 /nfs/dbraw/zinc/44/05/77/669440577.db2.gz WPDKNHGSMMVKEH-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001061828532 669440645 /nfs/dbraw/zinc/44/06/45/669440645.db2.gz WPDKNHGSMMVKEH-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061828569 669440485 /nfs/dbraw/zinc/44/04/85/669440485.db2.gz XMMQCOARMYVCAD-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061828570 669440525 /nfs/dbraw/zinc/44/05/25/669440525.db2.gz XMMQCOARMYVCAD-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061828571 669440707 /nfs/dbraw/zinc/44/07/07/669440707.db2.gz XMMQCOARMYVCAD-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061828572 669440783 /nfs/dbraw/zinc/44/07/83/669440783.db2.gz XMMQCOARMYVCAD-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001061828586 669440780 /nfs/dbraw/zinc/44/07/80/669440780.db2.gz XUCUZYPWCFUBAE-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001061828587 669440663 /nfs/dbraw/zinc/44/06/63/669440663.db2.gz XUCUZYPWCFUBAE-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061828646 669440688 /nfs/dbraw/zinc/44/06/88/669440688.db2.gz ZBOPLYJROLQFBR-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061828647 669440466 /nfs/dbraw/zinc/44/04/66/669440466.db2.gz ZBOPLYJROLQFBR-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001061828648 669440755 /nfs/dbraw/zinc/44/07/55/669440755.db2.gz ZBOPLYJROLQFBR-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001061828649 669440739 /nfs/dbraw/zinc/44/07/39/669440739.db2.gz ZBOPLYJROLQFBR-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061828680 669443775 /nfs/dbraw/zinc/44/37/75/669443775.db2.gz AFHWJUTXHKGYDJ-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061828681 669443845 /nfs/dbraw/zinc/44/38/45/669443845.db2.gz AFHWJUTXHKGYDJ-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061828682 669444024 /nfs/dbraw/zinc/44/40/24/669444024.db2.gz AFHWJUTXHKGYDJ-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061828683 669443688 /nfs/dbraw/zinc/44/36/88/669443688.db2.gz AFHWJUTXHKGYDJ-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061828788 669442574 /nfs/dbraw/zinc/44/25/74/669442574.db2.gz COZQMHVXAOOISJ-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061828789 669442567 /nfs/dbraw/zinc/44/25/67/669442567.db2.gz COZQMHVXAOOISJ-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001061828974 669442497 /nfs/dbraw/zinc/44/24/97/669442497.db2.gz HAPUMBHIOQDRGB-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001061828975 669442478 /nfs/dbraw/zinc/44/24/78/669442478.db2.gz HAPUMBHIOQDRGB-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061829076 669442600 /nfs/dbraw/zinc/44/26/00/669442600.db2.gz JCARMECZCYKPAU-UPJWGTAASA-N 1 0 340.424 -1.207 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061829077 669442417 /nfs/dbraw/zinc/44/24/17/669442417.db2.gz JCARMECZCYKPAU-XQQFMLRXSA-N 1 0 340.424 -1.207 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 ZINC001061829190 669442937 /nfs/dbraw/zinc/44/29/37/669442937.db2.gz LQOIFBDOPWJHHI-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 ZINC001061829191 669443105 /nfs/dbraw/zinc/44/31/05/669443105.db2.gz LQOIFBDOPWJHHI-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO Cn1nnc(C(=O)N2CCOC[C@H]2CNC(=O)CCC[NH+](C)C)n1 ZINC001061829226 669443319 /nfs/dbraw/zinc/44/33/19/669443319.db2.gz MLALWPDEMQOBEX-LLVKDONJSA-N 1 0 339.400 -1.491 20 0 EAADRO Cn1nnc(C(=O)N2CCOC[C@@H]2CNC(=O)CCC[NH+](C)C)n1 ZINC001061829227 669443009 /nfs/dbraw/zinc/44/30/09/669443009.db2.gz MLALWPDEMQOBEX-NSHDSACASA-N 1 0 339.400 -1.491 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061829240 669443251 /nfs/dbraw/zinc/44/32/51/669443251.db2.gz MRMFKQZIWBOTIG-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061829241 669443168 /nfs/dbraw/zinc/44/31/68/669443168.db2.gz MRMFKQZIWBOTIG-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 ZINC001061829618 669443085 /nfs/dbraw/zinc/44/30/85/669443085.db2.gz VLPBLIJMALBLMB-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 ZINC001061829619 669442849 /nfs/dbraw/zinc/44/28/49/669442849.db2.gz VLPBLIJMALBLMB-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061829824 669443340 /nfs/dbraw/zinc/44/33/40/669443340.db2.gz ZQIHXOULLHGFAO-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061829825 669442933 /nfs/dbraw/zinc/44/29/33/669442933.db2.gz ZQIHXOULLHGFAO-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061829826 669443078 /nfs/dbraw/zinc/44/30/78/669443078.db2.gz ZQIHXOULLHGFAO-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061829827 669443338 /nfs/dbraw/zinc/44/33/38/669443338.db2.gz ZQIHXOULLHGFAO-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O ZINC001061829842 669443124 /nfs/dbraw/zinc/44/31/24/669443124.db2.gz ZXCNSMJFLCFXRW-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O ZINC001061829843 669442855 /nfs/dbraw/zinc/44/28/55/669442855.db2.gz ZXCNSMJFLCFXRW-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001061831696 669444598 /nfs/dbraw/zinc/44/45/98/669444598.db2.gz XQIYFMHQHLHGJG-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001061831698 669444742 /nfs/dbraw/zinc/44/47/42/669444742.db2.gz XQIYFMHQHLHGJG-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061837256 669452688 /nfs/dbraw/zinc/45/26/88/669452688.db2.gz SLTAEDPBRBRNJZ-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061837257 669453008 /nfs/dbraw/zinc/45/30/08/669453008.db2.gz SLTAEDPBRBRNJZ-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061837258 669453361 /nfs/dbraw/zinc/45/33/61/669453361.db2.gz SLTAEDPBRBRNJZ-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061837259 669453467 /nfs/dbraw/zinc/45/34/67/669453467.db2.gz SLTAEDPBRBRNJZ-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061837835 669454028 /nfs/dbraw/zinc/45/40/28/669454028.db2.gz WDODJGVOOKJMNS-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061837836 669453929 /nfs/dbraw/zinc/45/39/29/669453929.db2.gz WDODJGVOOKJMNS-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061837837 669453976 /nfs/dbraw/zinc/45/39/76/669453976.db2.gz WDODJGVOOKJMNS-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061837838 669454067 /nfs/dbraw/zinc/45/40/67/669454067.db2.gz WDODJGVOOKJMNS-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)CC[N@@H+]1C ZINC001061838097 669453951 /nfs/dbraw/zinc/45/39/51/669453951.db2.gz YTNOAQWUHCJTEV-SDDRHHMPSA-N 1 0 326.397 -1.454 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)CC[N@@H+]1C ZINC001061838099 669454051 /nfs/dbraw/zinc/45/40/51/669454051.db2.gz YTNOAQWUHCJTEV-SRVKXCTJSA-N 1 0 326.397 -1.454 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838366 669447899 /nfs/dbraw/zinc/44/78/99/669447899.db2.gz IXBGMDUOLZNKRJ-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838367 669447992 /nfs/dbraw/zinc/44/79/92/669447992.db2.gz IXBGMDUOLZNKRJ-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001061838390 669447916 /nfs/dbraw/zinc/44/79/16/669447916.db2.gz JEYUGVVRQSMYHH-NEPJUHHUSA-N 1 0 338.408 -1.453 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001061838391 669447960 /nfs/dbraw/zinc/44/79/60/669447960.db2.gz JEYUGVVRQSMYHH-NWDGAFQWSA-N 1 0 338.408 -1.453 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001061838392 669448009 /nfs/dbraw/zinc/44/80/09/669448009.db2.gz JEYUGVVRQSMYHH-RYUDHWBXSA-N 1 0 338.408 -1.453 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001061838393 669447879 /nfs/dbraw/zinc/44/78/79/669447879.db2.gz JEYUGVVRQSMYHH-VXGBXAGGSA-N 1 0 338.408 -1.453 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838398 669447948 /nfs/dbraw/zinc/44/79/48/669447948.db2.gz JGBBIFZKULLKMD-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838399 669447865 /nfs/dbraw/zinc/44/78/65/669447865.db2.gz JGBBIFZKULLKMD-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001061838478 669447972 /nfs/dbraw/zinc/44/79/72/669447972.db2.gz KKZAVAZZRDPLDS-GFCCVEGCSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001061838479 669447933 /nfs/dbraw/zinc/44/79/33/669447933.db2.gz KKZAVAZZRDPLDS-LBPRGKRZSA-N 1 0 338.408 -1.309 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838486 669447842 /nfs/dbraw/zinc/44/78/42/669447842.db2.gz KPUJFHSDJKZHKM-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838487 669448322 /nfs/dbraw/zinc/44/83/22/669448322.db2.gz KPUJFHSDJKZHKM-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838540 669448284 /nfs/dbraw/zinc/44/82/84/669448284.db2.gz LQTCJTWUMPQUNN-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838541 669448342 /nfs/dbraw/zinc/44/83/42/669448342.db2.gz LQTCJTWUMPQUNN-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838853 669449047 /nfs/dbraw/zinc/44/90/47/669449047.db2.gz QALNUSLPLYAASH-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061838854 669449031 /nfs/dbraw/zinc/44/90/31/669449031.db2.gz QALNUSLPLYAASH-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061839047 669449002 /nfs/dbraw/zinc/44/90/02/669449002.db2.gz VCNUZIXPCMPZLD-GFCCVEGCSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061839048 669449080 /nfs/dbraw/zinc/44/90/80/669449080.db2.gz VCNUZIXPCMPZLD-LBPRGKRZSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001061839163 669449408 /nfs/dbraw/zinc/44/94/08/669449408.db2.gz XQIYFMHQHLHGJG-NEPJUHHUSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001061839164 669449588 /nfs/dbraw/zinc/44/95/88/669449588.db2.gz XQIYFMHQHLHGJG-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061839233 669450008 /nfs/dbraw/zinc/45/00/08/669450008.db2.gz ZOOQFFFTAGYNJF-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061839234 669449912 /nfs/dbraw/zinc/44/99/12/669449912.db2.gz ZOOQFFFTAGYNJF-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061839235 669449951 /nfs/dbraw/zinc/44/99/51/669449951.db2.gz ZOOQFFFTAGYNJF-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001061839236 669450088 /nfs/dbraw/zinc/45/00/88/669450088.db2.gz ZOOQFFFTAGYNJF-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)CC1 ZINC001061839378 669450120 /nfs/dbraw/zinc/45/01/20/669450120.db2.gz ATUYQLVQKYTNKY-LLVKDONJSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)CC1 ZINC001061839380 669450048 /nfs/dbraw/zinc/45/00/48/669450048.db2.gz ATUYQLVQKYTNKY-NSHDSACASA-N 1 0 342.396 -2.074 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)CC1 ZINC001061840039 669451160 /nfs/dbraw/zinc/45/11/60/669451160.db2.gz JLMFCDCORKHGPE-GFCCVEGCSA-N 1 0 326.397 -1.453 20 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/nfs/dbraw/zinc/45/80/90/669458090.db2.gz GNLPLRWECFEOOW-QWRGUYRKSA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061841712 669458257 /nfs/dbraw/zinc/45/82/57/669458257.db2.gz GNLPLRWECFEOOW-WDEREUQCSA-N 1 0 332.376 -1.505 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)CC1 ZINC001061841765 669458175 /nfs/dbraw/zinc/45/81/75/669458175.db2.gz HHMZTROLZXFCBR-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+]1CCC(CC(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)CC1 ZINC001061841766 669458271 /nfs/dbraw/zinc/45/82/71/669458271.db2.gz HHMZTROLZXFCBR-LBPRGKRZSA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O)[NH+](CC)CC ZINC001061842544 669455044 /nfs/dbraw/zinc/45/50/44/669455044.db2.gz WRMOZDMFJRVDFW-NEPJUHHUSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O)[NH+](CC)CC ZINC001061842545 669455192 /nfs/dbraw/zinc/45/51/92/669455192.db2.gz WRMOZDMFJRVDFW-NWDGAFQWSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O)[NH+](CC)CC ZINC001061842546 669455361 /nfs/dbraw/zinc/45/53/61/669455361.db2.gz WRMOZDMFJRVDFW-RYUDHWBXSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O)[NH+](CC)CC ZINC001061842547 669455140 /nfs/dbraw/zinc/45/51/40/669455140.db2.gz WRMOZDMFJRVDFW-VXGBXAGGSA-N 1 0 328.413 -1.064 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061842550 669455062 /nfs/dbraw/zinc/45/50/62/669455062.db2.gz WTPBUPXNYJUWQQ-CHWSQXEVSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061842551 669455239 /nfs/dbraw/zinc/45/52/39/669455239.db2.gz WTPBUPXNYJUWQQ-OLZOCXBDSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061842552 669455332 /nfs/dbraw/zinc/45/53/32/669455332.db2.gz WTPBUPXNYJUWQQ-QWHCGFSZSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061842553 669455122 /nfs/dbraw/zinc/45/51/22/669455122.db2.gz WTPBUPXNYJUWQQ-STQMWFEESA-N 1 0 340.424 -1.207 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061843882 669456904 /nfs/dbraw/zinc/45/69/04/669456904.db2.gz GGESGIDDJHMKFG-NEPJUHHUSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061843883 669456919 /nfs/dbraw/zinc/45/69/19/669456919.db2.gz GGESGIDDJHMKFG-NWDGAFQWSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061843884 669456809 /nfs/dbraw/zinc/45/68/09/669456809.db2.gz GGESGIDDJHMKFG-RYUDHWBXSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061843885 669457119 /nfs/dbraw/zinc/45/71/19/669457119.db2.gz GGESGIDDJHMKFG-VXGBXAGGSA-N 1 0 326.397 -1.312 20 0 EAADRO C[N@H+](CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O)CC(C)(C)C ZINC001061844135 669457581 /nfs/dbraw/zinc/45/75/81/669457581.db2.gz IBAXKKLFWVNCAP-LLVKDONJSA-N 1 0 328.413 -1.207 20 0 EAADRO C[N@H+](CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O)CC(C)(C)C ZINC001061844136 669457574 /nfs/dbraw/zinc/45/75/74/669457574.db2.gz IBAXKKLFWVNCAP-NSHDSACASA-N 1 0 328.413 -1.207 20 0 EAADRO CN(CCC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O)c1cc[nH+]cc1 ZINC001061844262 669457668 /nfs/dbraw/zinc/45/76/68/669457668.db2.gz KIWDQGHQHKQINP-CYBMUJFWSA-N 1 0 349.391 -1.263 20 0 EAADRO CN(CCC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O)c1cc[nH+]cc1 ZINC001061844263 669457570 /nfs/dbraw/zinc/45/75/70/669457570.db2.gz KIWDQGHQHKQINP-ZDUSSCGKSA-N 1 0 349.391 -1.263 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001061844284 669457585 /nfs/dbraw/zinc/45/75/85/669457585.db2.gz KWWAKSCBZWIWPV-GFCCVEGCSA-N 1 0 331.332 -1.223 20 0 EAADRO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001061844285 669457589 /nfs/dbraw/zinc/45/75/89/669457589.db2.gz KWWAKSCBZWIWPV-LBPRGKRZSA-N 1 0 331.332 -1.223 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061844666 669460397 /nfs/dbraw/zinc/46/03/97/669460397.db2.gz VGDULFIZPISDPT-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061844667 669460336 /nfs/dbraw/zinc/46/03/36/669460336.db2.gz VGDULFIZPISDPT-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)CC[N@@H+]1C ZINC001061845237 669458679 /nfs/dbraw/zinc/45/86/79/669458679.db2.gz FRLIAINHIQUDJA-GRYCIOLGSA-N 1 0 326.397 -1.454 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)CC[N@@H+]1C ZINC001061845238 669458632 /nfs/dbraw/zinc/45/86/32/669458632.db2.gz FRLIAINHIQUDJA-SDDRHHMPSA-N 1 0 326.397 -1.454 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001061846196 669461556 /nfs/dbraw/zinc/46/15/56/669461556.db2.gz NSKUGFBDVOZAIZ-GFCCVEGCSA-N 1 0 331.332 -1.223 20 0 EAADRO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001061846199 669461565 /nfs/dbraw/zinc/46/15/65/669461565.db2.gz NSKUGFBDVOZAIZ-LBPRGKRZSA-N 1 0 331.332 -1.223 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+]1CCCCC1 ZINC001061846882 669462045 /nfs/dbraw/zinc/46/20/45/669462045.db2.gz QMGAPSYWHSSBAA-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)CC[NH+]1CCCCC1 ZINC001061846883 669462016 /nfs/dbraw/zinc/46/20/16/669462016.db2.gz QMGAPSYWHSSBAA-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001061847211 669462028 /nfs/dbraw/zinc/46/20/28/669462028.db2.gz SHBSTKOOBFNORL-CHWSQXEVSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001061847212 669461895 /nfs/dbraw/zinc/46/18/95/669461895.db2.gz SHBSTKOOBFNORL-OLZOCXBDSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001061847213 669462073 /nfs/dbraw/zinc/46/20/73/669462073.db2.gz SHBSTKOOBFNORL-QWHCGFSZSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001061847214 669462009 /nfs/dbraw/zinc/46/20/09/669462009.db2.gz SHBSTKOOBFNORL-STQMWFEESA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)CCC[NH+]1CCCC1 ZINC001061848472 669462368 /nfs/dbraw/zinc/46/23/68/669462368.db2.gz YWBRBTXXAAPMNL-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)CCC[NH+]1CCCC1 ZINC001061848473 669462534 /nfs/dbraw/zinc/46/25/34/669462534.db2.gz YWBRBTXXAAPMNL-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO COCCOCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061858910 669466647 /nfs/dbraw/zinc/46/66/47/669466647.db2.gz ADYYMAWDZJZIGO-CYBMUJFWSA-N 1 0 331.413 -1.055 20 0 EAADRO COCCOCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061858911 669466503 /nfs/dbraw/zinc/46/65/03/669466503.db2.gz ADYYMAWDZJZIGO-ZDUSSCGKSA-N 1 0 331.413 -1.055 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061858972 669467292 /nfs/dbraw/zinc/46/72/92/669467292.db2.gz BPJUWPMPRSHVLC-NEPJUHHUSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061858973 669467026 /nfs/dbraw/zinc/46/70/26/669467026.db2.gz BPJUWPMPRSHVLC-NWDGAFQWSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061858974 669466972 /nfs/dbraw/zinc/46/69/72/669466972.db2.gz BPJUWPMPRSHVLC-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061858975 669467239 /nfs/dbraw/zinc/46/72/39/669467239.db2.gz BPJUWPMPRSHVLC-VXGBXAGGSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C1(NC(N)=O)CC1 ZINC001061858992 669467281 /nfs/dbraw/zinc/46/72/81/669467281.db2.gz CBVAIVVWVJDPHY-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C1(NC(N)=O)CC1 ZINC001061858993 669467233 /nfs/dbraw/zinc/46/72/33/669467233.db2.gz CBVAIVVWVJDPHY-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859006 669467043 /nfs/dbraw/zinc/46/70/43/669467043.db2.gz CGPJHSHESBUBAZ-LLVKDONJSA-N 1 0 330.385 -1.362 20 0 EAADRO COC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859007 669467202 /nfs/dbraw/zinc/46/72/02/669467202.db2.gz CGPJHSHESBUBAZ-NSHDSACASA-N 1 0 330.385 -1.362 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1 ZINC001061859014 669467207 /nfs/dbraw/zinc/46/72/07/669467207.db2.gz CHURXPFADUSOGA-CHWSQXEVSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1 ZINC001061859015 669467244 /nfs/dbraw/zinc/46/72/44/669467244.db2.gz CHURXPFADUSOGA-OLZOCXBDSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COCCO1 ZINC001061859016 669467255 /nfs/dbraw/zinc/46/72/55/669467255.db2.gz CHURXPFADUSOGA-QWHCGFSZSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COCCO1 ZINC001061859017 669467195 /nfs/dbraw/zinc/46/71/95/669467195.db2.gz CHURXPFADUSOGA-STQMWFEESA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001061859044 669467230 /nfs/dbraw/zinc/46/72/30/669467230.db2.gz CUYVRDQBBAFDSG-LLVKDONJSA-N 1 0 337.380 -1.321 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001061859045 669467147 /nfs/dbraw/zinc/46/71/47/669467147.db2.gz CUYVRDQBBAFDSG-NSHDSACASA-N 1 0 337.380 -1.321 20 0 EAADRO CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859064 669466955 /nfs/dbraw/zinc/46/69/55/669466955.db2.gz DHKUZHYVENSSPL-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859065 669467000 /nfs/dbraw/zinc/46/70/00/669467000.db2.gz DHKUZHYVENSSPL-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO CN1CCO[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061859078 669467153 /nfs/dbraw/zinc/46/71/53/669467153.db2.gz DSGZPLXJTCRAKS-KBPBESRZSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCO[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061859079 669467086 /nfs/dbraw/zinc/46/70/86/669467086.db2.gz DSGZPLXJTCRAKS-KGLIPLIRSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061859080 669467182 /nfs/dbraw/zinc/46/71/82/669467182.db2.gz DSGZPLXJTCRAKS-UONOGXRCSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061859081 669467130 /nfs/dbraw/zinc/46/71/30/669467130.db2.gz DSGZPLXJTCRAKS-ZIAGYGMSSA-N 1 0 342.440 -1.388 20 0 EAADRO Cn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)c1N ZINC001061859088 669467071 /nfs/dbraw/zinc/46/70/71/669467071.db2.gz FAWROXARFUCGAE-LLVKDONJSA-N 1 0 338.412 -1.089 20 0 EAADRO Cn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)c1N ZINC001061859089 669467177 /nfs/dbraw/zinc/46/71/77/669467177.db2.gz FAWROXARFUCGAE-NSHDSACASA-N 1 0 338.412 -1.089 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CN1CCCC1=O ZINC001061859098 669467250 /nfs/dbraw/zinc/46/72/50/669467250.db2.gz FGHNZABCHPLFJW-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CN1CCCC1=O ZINC001061859099 669467275 /nfs/dbraw/zinc/46/72/75/669467275.db2.gz FGHNZABCHPLFJW-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061859106 669467019 /nfs/dbraw/zinc/46/70/19/669467019.db2.gz FKZKPGRXQGSHKG-AWEZNQCLSA-N 1 0 340.424 -1.240 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061859107 669467062 /nfs/dbraw/zinc/46/70/62/669467062.db2.gz FKZKPGRXQGSHKG-CQSZACIVSA-N 1 0 340.424 -1.240 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859110 669467296 /nfs/dbraw/zinc/46/72/96/669467296.db2.gz FLKGXZGNHFVCDC-QWRGUYRKSA-N 1 0 329.401 -1.662 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859111 669467100 /nfs/dbraw/zinc/46/71/00/669467100.db2.gz FLKGXZGNHFVCDC-WDEREUQCSA-N 1 0 329.401 -1.662 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061859194 669467246 /nfs/dbraw/zinc/46/72/46/669467246.db2.gz HGIBSKVXEDAOMJ-GHMZBOCLSA-N 1 0 328.369 -1.610 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061859195 669467270 /nfs/dbraw/zinc/46/72/70/669467270.db2.gz HGIBSKVXEDAOMJ-MNOVXSKESA-N 1 0 328.369 -1.610 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001061859196 669467263 /nfs/dbraw/zinc/46/72/63/669467263.db2.gz HGIBSKVXEDAOMJ-QWRGUYRKSA-N 1 0 328.369 -1.610 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 ZINC001061859197 669467111 /nfs/dbraw/zinc/46/71/11/669467111.db2.gz HGIBSKVXEDAOMJ-WDEREUQCSA-N 1 0 328.369 -1.610 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C(=O)NCC1CC1 ZINC001061859214 669467066 /nfs/dbraw/zinc/46/70/66/669467066.db2.gz HNRJYIMEFDQPBU-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C(=O)NCC1CC1 ZINC001061859215 669467104 /nfs/dbraw/zinc/46/71/04/669467104.db2.gz HNRJYIMEFDQPBU-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CS(C)(=O)=O ZINC001061859280 669466981 /nfs/dbraw/zinc/46/69/81/669466981.db2.gz IWHBNTUZDOUIDP-LLVKDONJSA-N 1 0 335.426 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CS(C)(=O)=O ZINC001061859281 669467274 /nfs/dbraw/zinc/46/72/74/669467274.db2.gz IWHBNTUZDOUIDP-NSHDSACASA-N 1 0 335.426 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1nccnc1N ZINC001061859284 669467015 /nfs/dbraw/zinc/46/70/15/669467015.db2.gz IZTCLTTYIHWKJT-LLVKDONJSA-N 1 0 336.396 -1.032 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)c1nccnc1N ZINC001061859285 669467298 /nfs/dbraw/zinc/46/72/98/669467298.db2.gz IZTCLTTYIHWKJT-NSHDSACASA-N 1 0 336.396 -1.032 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001061859318 669467079 /nfs/dbraw/zinc/46/70/79/669467079.db2.gz JRHMURXLZJCDGI-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001061859319 669467167 /nfs/dbraw/zinc/46/71/67/669467167.db2.gz JRHMURXLZJCDGI-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001061859320 669467288 /nfs/dbraw/zinc/46/72/88/669467288.db2.gz JRHMURXLZJCDGI-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001061859321 669467173 /nfs/dbraw/zinc/46/71/73/669467173.db2.gz JRHMURXLZJCDGI-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NCCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859388 669467258 /nfs/dbraw/zinc/46/72/58/669467258.db2.gz KPKSXQQLNPDOPP-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859389 669467669 /nfs/dbraw/zinc/46/76/69/669467669.db2.gz KPKSXQQLNPDOPP-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CN1CCOCC1 ZINC001061859402 669467836 /nfs/dbraw/zinc/46/78/36/669467836.db2.gz KXHDKEQPOWGQSG-AWEZNQCLSA-N 1 0 342.440 -1.386 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CN1CCOCC1 ZINC001061859403 669467600 /nfs/dbraw/zinc/46/76/00/669467600.db2.gz KXHDKEQPOWGQSG-CQSZACIVSA-N 1 0 342.440 -1.386 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859506 669467528 /nfs/dbraw/zinc/46/75/28/669467528.db2.gz LBKIVLDMGZHHAI-AAEUAGOBSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859507 669467642 /nfs/dbraw/zinc/46/76/42/669467642.db2.gz LBKIVLDMGZHHAI-DGCLKSJQSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859508 669467595 /nfs/dbraw/zinc/46/75/95/669467595.db2.gz LBKIVLDMGZHHAI-WCQYABFASA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859509 669467768 /nfs/dbraw/zinc/46/77/68/669467768.db2.gz LBKIVLDMGZHHAI-YPMHNXCESA-N 1 0 328.413 -1.194 20 0 EAADRO C[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)NC(N)=O ZINC001061859548 669467780 /nfs/dbraw/zinc/46/77/80/669467780.db2.gz LVZPRCYCVJMYEO-NEPJUHHUSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C)NC(N)=O ZINC001061859549 669467822 /nfs/dbraw/zinc/46/78/22/669467822.db2.gz LVZPRCYCVJMYEO-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)NC(N)=O ZINC001061859550 669467791 /nfs/dbraw/zinc/46/77/91/669467791.db2.gz LVZPRCYCVJMYEO-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C)NC(N)=O ZINC001061859551 669467622 /nfs/dbraw/zinc/46/76/22/669467622.db2.gz LVZPRCYCVJMYEO-VXGBXAGGSA-N 1 0 343.428 -1.271 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859582 669467857 /nfs/dbraw/zinc/46/78/57/669467857.db2.gz MMSFGZBUJMMYDF-CYBMUJFWSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859583 669467797 /nfs/dbraw/zinc/46/77/97/669467797.db2.gz MMSFGZBUJMMYDF-ZDUSSCGKSA-N 1 0 328.413 -1.240 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCn1cnnn1 ZINC001061859698 669467894 /nfs/dbraw/zinc/46/78/94/669467894.db2.gz NEJCWPCYWIEOMO-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CCn1cnnn1 ZINC001061859700 669467563 /nfs/dbraw/zinc/46/75/63/669467563.db2.gz NEJCWPCYWIEOMO-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCn1cncn1 ZINC001061859722 669467709 /nfs/dbraw/zinc/46/77/09/669467709.db2.gz NIUMYDYXTKMPRZ-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CCn1cncn1 ZINC001061859723 669467548 /nfs/dbraw/zinc/46/75/48/669467548.db2.gz NIUMYDYXTKMPRZ-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCn1ccnn1 ZINC001061859724 669467815 /nfs/dbraw/zinc/46/78/15/669467815.db2.gz NJKFMNQDYLXYIK-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CCn1ccnn1 ZINC001061859725 669467852 /nfs/dbraw/zinc/46/78/52/669467852.db2.gz NJKFMNQDYLXYIK-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859754 669467874 /nfs/dbraw/zinc/46/78/74/669467874.db2.gz OIEFOXSOERQXPA-KBPBESRZSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859755 669467744 /nfs/dbraw/zinc/46/77/44/669467744.db2.gz OIEFOXSOERQXPA-KGLIPLIRSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859756 669467785 /nfs/dbraw/zinc/46/77/85/669467785.db2.gz OIEFOXSOERQXPA-UONOGXRCSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859757 669467513 /nfs/dbraw/zinc/46/75/13/669467513.db2.gz OIEFOXSOERQXPA-ZIAGYGMSSA-N 1 0 342.440 -1.388 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CN1CN=NC1=O ZINC001061859784 669467636 /nfs/dbraw/zinc/46/76/36/669467636.db2.gz OWGPXOHNMOCTOQ-LLVKDONJSA-N 1 0 340.384 -1.721 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CN1CN=NC1=O ZINC001061859785 669467726 /nfs/dbraw/zinc/46/77/26/669467726.db2.gz OWGPXOHNMOCTOQ-NSHDSACASA-N 1 0 340.384 -1.721 20 0 EAADRO CCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061860192 669468368 /nfs/dbraw/zinc/46/83/68/669468368.db2.gz UETXDMWSKHOGDT-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061860194 669468229 /nfs/dbraw/zinc/46/82/29/669468229.db2.gz UETXDMWSKHOGDT-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)C1CC1 ZINC001061860235 669468344 /nfs/dbraw/zinc/46/83/44/669468344.db2.gz UVFKSBGLCNXUSS-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)C1CC1 ZINC001061860236 669468173 /nfs/dbraw/zinc/46/81/73/669468173.db2.gz UVFKSBGLCNXUSS-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO Cn1oc(C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)cc1=O ZINC001061860297 669468745 /nfs/dbraw/zinc/46/87/45/669468745.db2.gz VWYZFHITDSGCKT-LLVKDONJSA-N 1 0 340.380 -1.113 20 0 EAADRO Cn1oc(C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)cc1=O ZINC001061860298 669468819 /nfs/dbraw/zinc/46/88/19/669468819.db2.gz VWYZFHITDSGCKT-NSHDSACASA-N 1 0 340.380 -1.113 20 0 EAADRO Cc1nnc(CC(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)[nH]1 ZINC001061860438 669468801 /nfs/dbraw/zinc/46/88/01/669468801.db2.gz XMUXBKNDPBOAOR-GFCCVEGCSA-N 1 0 338.412 -1.049 20 0 EAADRO Cc1nnc(CC(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)[nH]1 ZINC001061860439 669468757 /nfs/dbraw/zinc/46/87/57/669468757.db2.gz XMUXBKNDPBOAOR-LBPRGKRZSA-N 1 0 338.412 -1.049 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001061860478 669468818 /nfs/dbraw/zinc/46/88/18/669468818.db2.gz YGDOUBNIQOJRRB-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001061860479 669468775 /nfs/dbraw/zinc/46/87/75/669468775.db2.gz YGDOUBNIQOJRRB-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001061860480 669468780 /nfs/dbraw/zinc/46/87/80/669468780.db2.gz YGDOUBNIQOJRRB-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001061860481 669468870 /nfs/dbraw/zinc/46/88/70/669468870.db2.gz YGDOUBNIQOJRRB-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061860632 669468853 /nfs/dbraw/zinc/46/88/53/669468853.db2.gz ZAOHNGUAQMRTBA-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1cnnn1 ZINC001061860633 669468905 /nfs/dbraw/zinc/46/89/05/669468905.db2.gz ZAOHNGUAQMRTBA-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO Cn1nnc(C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001061860712 669468763 /nfs/dbraw/zinc/46/87/63/669468763.db2.gz BAJGTIWXEQNEBK-JTQLQIEISA-N 1 0 325.373 -1.881 20 0 EAADRO Cn1nnc(C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001061860713 669468813 /nfs/dbraw/zinc/46/88/13/669468813.db2.gz BAJGTIWXEQNEBK-SNVBAGLBSA-N 1 0 325.373 -1.881 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061860742 669468815 /nfs/dbraw/zinc/46/88/15/669468815.db2.gz BMFIZXPOUMFLRN-GHMZBOCLSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061860743 669468908 /nfs/dbraw/zinc/46/89/08/669468908.db2.gz BMFIZXPOUMFLRN-MNOVXSKESA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061860744 669468765 /nfs/dbraw/zinc/46/87/65/669468765.db2.gz BMFIZXPOUMFLRN-QWRGUYRKSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061860745 669468848 /nfs/dbraw/zinc/46/88/48/669468848.db2.gz BMFIZXPOUMFLRN-WDEREUQCSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[C@H]1CCNC1=O ZINC001061861029 669468868 /nfs/dbraw/zinc/46/88/68/669468868.db2.gz CYQUFQKVXBFNSN-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@H]1CCNC1=O ZINC001061861032 669468912 /nfs/dbraw/zinc/46/89/12/669468912.db2.gz CYQUFQKVXBFNSN-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[C@@H]1CCNC1=O ZINC001061861035 669468833 /nfs/dbraw/zinc/46/88/33/669468833.db2.gz CYQUFQKVXBFNSN-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H]1CCNC1=O ZINC001061861039 669468891 /nfs/dbraw/zinc/46/88/91/669468891.db2.gz CYQUFQKVXBFNSN-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCCNC1=O ZINC001061861143 669468749 /nfs/dbraw/zinc/46/87/49/669468749.db2.gz DNSPUFWPQMBUBA-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCCNC1=O ZINC001061861144 669468817 /nfs/dbraw/zinc/46/88/17/669468817.db2.gz DNSPUFWPQMBUBA-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCCNC1=O ZINC001061861145 669468915 /nfs/dbraw/zinc/46/89/15/669468915.db2.gz DNSPUFWPQMBUBA-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCCNC1=O ZINC001061861146 669468878 /nfs/dbraw/zinc/46/88/78/669468878.db2.gz DNSPUFWPQMBUBA-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001061861172 669468755 /nfs/dbraw/zinc/46/87/55/669468755.db2.gz FALKILOMDNZYCR-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001061861174 669468880 /nfs/dbraw/zinc/46/88/80/669468880.db2.gz FALKILOMDNZYCR-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001061861175 669468812 /nfs/dbraw/zinc/46/88/12/669468812.db2.gz FALKILOMDNZYCR-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001061861177 669468820 /nfs/dbraw/zinc/46/88/20/669468820.db2.gz FALKILOMDNZYCR-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061861274 669468887 /nfs/dbraw/zinc/46/88/87/669468887.db2.gz GGTBRELXBGMGMR-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061861276 669468799 /nfs/dbraw/zinc/46/87/99/669468799.db2.gz GGTBRELXBGMGMR-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001061861286 669468785 /nfs/dbraw/zinc/46/87/85/669468785.db2.gz GNLBDBBOWILAIN-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001061861289 669468855 /nfs/dbraw/zinc/46/88/55/669468855.db2.gz GNLBDBBOWILAIN-OLZOCXBDSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001061861290 669468810 /nfs/dbraw/zinc/46/88/10/669468810.db2.gz GNLBDBBOWILAIN-QWHCGFSZSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001061861292 669469445 /nfs/dbraw/zinc/46/94/45/669469445.db2.gz GNLBDBBOWILAIN-STQMWFEESA-N 1 0 340.424 -1.240 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061861602 669466047 /nfs/dbraw/zinc/46/60/47/669466047.db2.gz JAUSVDAOISKLPE-LLVKDONJSA-N 1 0 329.401 -1.789 20 0 EAADRO CNC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061861603 669465929 /nfs/dbraw/zinc/46/59/29/669465929.db2.gz JAUSVDAOISKLPE-NSHDSACASA-N 1 0 329.401 -1.789 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061861634 669466073 /nfs/dbraw/zinc/46/60/73/669466073.db2.gz JJLHRJHOHJMULW-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061861635 669466085 /nfs/dbraw/zinc/46/60/85/669466085.db2.gz JJLHRJHOHJMULW-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061861680 669466137 /nfs/dbraw/zinc/46/61/37/669466137.db2.gz KBRXSSIHKXRQDK-NEPJUHHUSA-N 1 0 326.397 -1.582 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061861681 669465913 /nfs/dbraw/zinc/46/59/13/669465913.db2.gz KBRXSSIHKXRQDK-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001061861682 669465883 /nfs/dbraw/zinc/46/58/83/669465883.db2.gz KBRXSSIHKXRQDK-RYUDHWBXSA-N 1 0 326.397 -1.582 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001061861683 669466099 /nfs/dbraw/zinc/46/60/99/669466099.db2.gz KBRXSSIHKXRQDK-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO CN1C[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)CC1=O ZINC001061861719 669465932 /nfs/dbraw/zinc/46/59/32/669465932.db2.gz KSLDTKHKXPCHDI-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1C[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)CC1=O ZINC001061861720 669465949 /nfs/dbraw/zinc/46/59/49/669465949.db2.gz KSLDTKHKXPCHDI-OLZOCXBDSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1C[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)CC1=O ZINC001061861721 669465972 /nfs/dbraw/zinc/46/59/72/669465972.db2.gz KSLDTKHKXPCHDI-QWHCGFSZSA-N 1 0 340.424 -1.240 20 0 EAADRO CN1C[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)CC1=O ZINC001061861722 669466161 /nfs/dbraw/zinc/46/61/61/669466161.db2.gz KSLDTKHKXPCHDI-STQMWFEESA-N 1 0 340.424 -1.240 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C1CS(=O)(=O)C1 ZINC001061861819 669466019 /nfs/dbraw/zinc/46/60/19/669466019.db2.gz MKNOEAYGCAUBMH-GFCCVEGCSA-N 1 0 347.437 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C1CS(=O)(=O)C1 ZINC001061861820 669465918 /nfs/dbraw/zinc/46/59/18/669465918.db2.gz MKNOEAYGCAUBMH-LBPRGKRZSA-N 1 0 347.437 -1.674 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061861857 669466009 /nfs/dbraw/zinc/46/60/09/669466009.db2.gz NAKQJCDAILPAKW-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061861858 669465966 /nfs/dbraw/zinc/46/59/66/669465966.db2.gz NAKQJCDAILPAKW-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061861867 669466150 /nfs/dbraw/zinc/46/61/50/669466150.db2.gz NFKKQFJMJCFMPO-NEPJUHHUSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061861868 669466154 /nfs/dbraw/zinc/46/61/54/669466154.db2.gz NFKKQFJMJCFMPO-NWDGAFQWSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061861869 669466170 /nfs/dbraw/zinc/46/61/70/669466170.db2.gz NFKKQFJMJCFMPO-RYUDHWBXSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061861870 669466134 /nfs/dbraw/zinc/46/61/34/669466134.db2.gz NFKKQFJMJCFMPO-VXGBXAGGSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061861954 669466082 /nfs/dbraw/zinc/46/60/82/669466082.db2.gz NPFZLOCQIWQMEB-NEPJUHHUSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061861955 669465999 /nfs/dbraw/zinc/46/59/99/669465999.db2.gz NPFZLOCQIWQMEB-NWDGAFQWSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061861956 669465895 /nfs/dbraw/zinc/46/58/95/669465895.db2.gz NPFZLOCQIWQMEB-RYUDHWBXSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@H](C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001061861957 669466037 /nfs/dbraw/zinc/46/60/37/669466037.db2.gz NPFZLOCQIWQMEB-VXGBXAGGSA-N 1 0 349.453 -1.285 20 0 EAADRO COC[C@@H](OC)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862038 669466145 /nfs/dbraw/zinc/46/61/45/669466145.db2.gz PCNBEWAYOZHZSN-CHWSQXEVSA-N 1 0 331.413 -1.057 20 0 EAADRO COC[C@H](OC)C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862039 669466158 /nfs/dbraw/zinc/46/61/58/669466158.db2.gz PCNBEWAYOZHZSN-OLZOCXBDSA-N 1 0 331.413 -1.057 20 0 EAADRO COC[C@@H](OC)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862040 669466057 /nfs/dbraw/zinc/46/60/57/669466057.db2.gz PCNBEWAYOZHZSN-QWHCGFSZSA-N 1 0 331.413 -1.057 20 0 EAADRO COC[C@H](OC)C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862041 669466003 /nfs/dbraw/zinc/46/60/03/669466003.db2.gz PCNBEWAYOZHZSN-STQMWFEESA-N 1 0 331.413 -1.057 20 0 EAADRO CN1C[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)NC1=O ZINC001061862223 669466986 /nfs/dbraw/zinc/46/69/86/669466986.db2.gz RBZAQRFYCLRNOF-NEPJUHHUSA-N 1 0 341.412 -1.695 20 0 EAADRO CN1C[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)NC1=O ZINC001061862224 669467037 /nfs/dbraw/zinc/46/70/37/669467037.db2.gz RBZAQRFYCLRNOF-NWDGAFQWSA-N 1 0 341.412 -1.695 20 0 EAADRO CN1C[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)NC1=O ZINC001061862225 669466977 /nfs/dbraw/zinc/46/69/77/669466977.db2.gz RBZAQRFYCLRNOF-RYUDHWBXSA-N 1 0 341.412 -1.695 20 0 EAADRO CN1C[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)NC1=O ZINC001061862226 669467115 /nfs/dbraw/zinc/46/71/15/669467115.db2.gz RBZAQRFYCLRNOF-VXGBXAGGSA-N 1 0 341.412 -1.695 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061862317 669469433 /nfs/dbraw/zinc/46/94/33/669469433.db2.gz SHJISNKTOCCYAM-TUAOUCFPSA-N 1 0 326.397 -1.597 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061862318 669469522 /nfs/dbraw/zinc/46/95/22/669469522.db2.gz SHJISNKTOCCYAM-UTUOFQBUSA-N 1 0 326.397 -1.597 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCCC(N)=O ZINC001061862416 669469555 /nfs/dbraw/zinc/46/95/55/669469555.db2.gz SYUDRPPBYOQXID-GFCCVEGCSA-N 1 0 328.413 -1.063 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CCCC(N)=O ZINC001061862417 669469526 /nfs/dbraw/zinc/46/95/26/669469526.db2.gz SYUDRPPBYOQXID-LBPRGKRZSA-N 1 0 328.413 -1.063 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862677 669469374 /nfs/dbraw/zinc/46/93/74/669469374.db2.gz WVRVLCUTNAOZPK-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862678 669469494 /nfs/dbraw/zinc/46/94/94/669469494.db2.gz WVRVLCUTNAOZPK-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001061862679 669469509 /nfs/dbraw/zinc/46/95/09/669469509.db2.gz WWEIEYCUGWJANT-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001061862680 669469448 /nfs/dbraw/zinc/46/94/48/669469448.db2.gz WWEIEYCUGWJANT-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O ZINC001061862838 669469428 /nfs/dbraw/zinc/46/94/28/669469428.db2.gz YYHYDBKSAVIYFP-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O ZINC001061862839 669469572 /nfs/dbraw/zinc/46/95/72/669469572.db2.gz YYHYDBKSAVIYFP-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCS(C)(=O)=O ZINC001061862864 669469339 /nfs/dbraw/zinc/46/93/39/669469339.db2.gz ZMPPDRGMEUQNRB-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CCS(C)(=O)=O ZINC001061862865 669469408 /nfs/dbraw/zinc/46/94/08/669469408.db2.gz ZMPPDRGMEUQNRB-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001061879251 669505416 /nfs/dbraw/zinc/50/54/16/669505416.db2.gz KKAJOFHZKFPTSU-LRDDRELGSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001061879252 669505461 /nfs/dbraw/zinc/50/54/61/669505461.db2.gz KKAJOFHZKFPTSU-WBMJQRKESA-N 1 0 340.424 -1.050 20 0 EAADRO COC[C@@H](OC)C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061880411 669507918 /nfs/dbraw/zinc/50/79/18/669507918.db2.gz HSPPHBWMNMHDAK-CHWSQXEVSA-N 1 0 331.413 -1.057 20 0 EAADRO COC[C@H](OC)C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061880412 669508287 /nfs/dbraw/zinc/50/82/87/669508287.db2.gz HSPPHBWMNMHDAK-OLZOCXBDSA-N 1 0 331.413 -1.057 20 0 EAADRO COC[C@@H](OC)C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061880413 669508488 /nfs/dbraw/zinc/50/84/88/669508488.db2.gz HSPPHBWMNMHDAK-QWHCGFSZSA-N 1 0 331.413 -1.057 20 0 EAADRO COC[C@H](OC)C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061880414 669508593 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CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 ZINC001061898309 669524759 /nfs/dbraw/zinc/52/47/59/669524759.db2.gz HLQDOLONIAMPIT-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061898384 669524804 /nfs/dbraw/zinc/52/48/04/669524804.db2.gz IRJLZXOWMHZFQN-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061898385 669524550 /nfs/dbraw/zinc/52/45/50/669524550.db2.gz IRJLZXOWMHZFQN-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001061898387 669524858 /nfs/dbraw/zinc/52/48/58/669524858.db2.gz IRJLZXOWMHZFQN-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001061898389 669524672 /nfs/dbraw/zinc/52/46/72/669524672.db2.gz IRJLZXOWMHZFQN-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061898490 669524745 /nfs/dbraw/zinc/52/47/45/669524745.db2.gz JLLARLIFJQBRSW-UPJWGTAASA-N 1 0 340.424 -1.207 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001061898491 669524810 /nfs/dbraw/zinc/52/48/10/669524810.db2.gz JLLARLIFJQBRSW-XQQFMLRXSA-N 1 0 340.424 -1.207 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061898506 669524763 /nfs/dbraw/zinc/52/47/63/669524763.db2.gz JQCAQXGQYHFPIC-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 ZINC001061898507 669524627 /nfs/dbraw/zinc/52/46/27/669524627.db2.gz JQCAQXGQYHFPIC-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 ZINC001061898634 669525399 /nfs/dbraw/zinc/52/53/99/669525399.db2.gz LOIFVAHSMDPFKJ-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 ZINC001061898635 669525502 /nfs/dbraw/zinc/52/55/02/669525502.db2.gz LOIFVAHSMDPFKJ-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(N)=O ZINC001061898669 669525257 /nfs/dbraw/zinc/52/52/57/669525257.db2.gz LXCLJARKGVGNJY-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(N)=O ZINC001061898671 669525565 /nfs/dbraw/zinc/52/55/65/669525565.db2.gz LXCLJARKGVGNJY-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061898936 669525290 /nfs/dbraw/zinc/52/52/90/669525290.db2.gz PUJSYOKVNVQNNW-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061898938 669525439 /nfs/dbraw/zinc/52/54/39/669525439.db2.gz PUJSYOKVNVQNNW-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001061898940 669525644 /nfs/dbraw/zinc/52/56/44/669525644.db2.gz PUJSYOKVNVQNNW-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001061898942 669525541 /nfs/dbraw/zinc/52/55/41/669525541.db2.gz PUJSYOKVNVQNNW-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O ZINC001061899001 669524740 /nfs/dbraw/zinc/52/47/40/669524740.db2.gz QLPOEPNXWRULFH-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O ZINC001061899004 669524771 /nfs/dbraw/zinc/52/47/71/669524771.db2.gz QLPOEPNXWRULFH-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1nnn(C)n1 ZINC001061899163 669526179 /nfs/dbraw/zinc/52/61/79/669526179.db2.gz RTUVFWWHMDMHCT-LLVKDONJSA-N 1 0 339.400 -1.491 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)c1nnn(C)n1 ZINC001061899164 669526345 /nfs/dbraw/zinc/52/63/45/669526345.db2.gz RTUVFWWHMDMHCT-NSHDSACASA-N 1 0 339.400 -1.491 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC ZINC001061899253 669526169 /nfs/dbraw/zinc/52/61/69/669526169.db2.gz UKPQMGBDHAZMGS-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO 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CC[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1)[NH+](C)C ZINC001061908668 669530952 /nfs/dbraw/zinc/53/09/52/669530952.db2.gz IBKIGIXOUAFLAO-UPJWGTAASA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1)[NH+](C)C ZINC001061908669 669531235 /nfs/dbraw/zinc/53/12/35/669531235.db2.gz IBKIGIXOUAFLAO-XQQFMLRXSA-N 1 0 340.424 -1.051 20 0 EAADRO C[N@H+](CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O)CC(C)(C)C ZINC001061908834 669531148 /nfs/dbraw/zinc/53/11/48/669531148.db2.gz LREREOBZTJKJAM-LLVKDONJSA-N 1 0 328.413 -1.207 20 0 EAADRO C[N@H+](CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O)CC(C)(C)C ZINC001061908835 669530743 /nfs/dbraw/zinc/53/07/43/669530743.db2.gz LREREOBZTJKJAM-NSHDSACASA-N 1 0 328.413 -1.207 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001061910199 669532496 /nfs/dbraw/zinc/53/24/96/669532496.db2.gz IBKIGIXOUAFLAO-AGIUHOORSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001061910200 669532677 /nfs/dbraw/zinc/53/26/77/669532677.db2.gz IBKIGIXOUAFLAO-AVGNSLFASA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(N)=O)[NH+](C)C ZINC001061910890 669532444 /nfs/dbraw/zinc/53/24/44/669532444.db2.gz RGWSRNZYQUEDQD-SRVKXCTJSA-N 1 0 343.428 -1.273 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(N)=O)[NH+](C)C ZINC001061910891 669532549 /nfs/dbraw/zinc/53/25/49/669532549.db2.gz RGWSRNZYQUEDQD-TUAOUCFPSA-N 1 0 343.428 -1.273 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 ZINC001061915294 669535826 /nfs/dbraw/zinc/53/58/26/669535826.db2.gz ZXNRKRPLRKENSL-CHWSQXEVSA-N 1 0 336.396 -1.284 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 ZINC001061915295 669535893 /nfs/dbraw/zinc/53/58/93/669535893.db2.gz ZXNRKRPLRKENSL-OLZOCXBDSA-N 1 0 336.396 -1.284 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 ZINC001061915296 669535923 /nfs/dbraw/zinc/53/59/23/669535923.db2.gz ZXNRKRPLRKENSL-QWHCGFSZSA-N 1 0 336.396 -1.284 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 ZINC001061915297 669536181 /nfs/dbraw/zinc/53/61/81/669536181.db2.gz ZXNRKRPLRKENSL-STQMWFEESA-N 1 0 336.396 -1.284 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001061916869 669534256 /nfs/dbraw/zinc/53/42/56/669534256.db2.gz UVZHOIHVQNMZBE-NWDGAFQWSA-N 1 0 336.396 -1.215 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001061916870 669534466 /nfs/dbraw/zinc/53/44/66/669534466.db2.gz UVZHOIHVQNMZBE-VXGBXAGGSA-N 1 0 336.396 -1.215 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 ZINC001061917197 669535915 /nfs/dbraw/zinc/53/59/15/669535915.db2.gz BPOAOPAOXPVPMW-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 ZINC001061917198 669536009 /nfs/dbraw/zinc/53/60/09/669536009.db2.gz BPOAOPAOXPVPMW-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 ZINC001061917359 669537497 /nfs/dbraw/zinc/53/74/97/669537497.db2.gz GFPJLPXYRFEWGY-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 ZINC001061917360 669537151 /nfs/dbraw/zinc/53/71/51/669537151.db2.gz GFPJLPXYRFEWGY-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1)[NH+](C)C ZINC001061917645 669537834 /nfs/dbraw/zinc/53/78/34/669537834.db2.gz LXLHMYREMAAWDM-CHWSQXEVSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1)[NH+](C)C ZINC001061917646 669537815 /nfs/dbraw/zinc/53/78/15/669537815.db2.gz LXLHMYREMAAWDM-OLZOCXBDSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1)[NH+](C)C ZINC001061917647 669537716 /nfs/dbraw/zinc/53/77/16/669537716.db2.gz LXLHMYREMAAWDM-QWHCGFSZSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1)[NH+](C)C ZINC001061917648 669537896 /nfs/dbraw/zinc/53/78/96/669537896.db2.gz LXLHMYREMAAWDM-STQMWFEESA-N 1 0 338.412 -1.038 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001061917653 669537741 /nfs/dbraw/zinc/53/77/41/669537741.db2.gz LZGXTCBTLIMQMT-CHWSQXEVSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001061917654 669537936 /nfs/dbraw/zinc/53/79/36/669537936.db2.gz LZGXTCBTLIMQMT-OLZOCXBDSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001061917655 669538279 /nfs/dbraw/zinc/53/82/79/669538279.db2.gz LZGXTCBTLIMQMT-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001061917656 669538508 /nfs/dbraw/zinc/53/85/08/669538508.db2.gz LZGXTCBTLIMQMT-STQMWFEESA-N 1 0 336.396 -1.427 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 ZINC001061917805 669538253 /nfs/dbraw/zinc/53/82/53/669538253.db2.gz PMCJBKFYBBOEDA-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 ZINC001061917806 669538199 /nfs/dbraw/zinc/53/81/99/669538199.db2.gz PMCJBKFYBBOEDA-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO O=C(Cn1cncn1)NC[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061917837 669538418 /nfs/dbraw/zinc/53/84/18/669538418.db2.gz QJNSFDHLBBNDOJ-CYBMUJFWSA-N 1 0 348.407 -1.283 20 0 EAADRO O=C(Cn1cncn1)NC[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061917838 669538187 /nfs/dbraw/zinc/53/81/87/669538187.db2.gz QJNSFDHLBBNDOJ-ZDUSSCGKSA-N 1 0 348.407 -1.283 20 0 EAADRO O=C(Cn1cncn1)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061917901 669539030 /nfs/dbraw/zinc/53/90/30/669539030.db2.gz RSACLUVXLUQFRW-CYBMUJFWSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(Cn1cncn1)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061917902 669538884 /nfs/dbraw/zinc/53/88/84/669538884.db2.gz RSACLUVXLUQFRW-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 ZINC001061918192 669538797 /nfs/dbraw/zinc/53/87/97/669538797.db2.gz XLHUSLMJSRIJNJ-CYBMUJFWSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 ZINC001061918193 669538812 /nfs/dbraw/zinc/53/88/12/669538812.db2.gz XLHUSLMJSRIJNJ-ZDUSSCGKSA-N 1 0 338.412 -1.038 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 ZINC001061918244 669539618 /nfs/dbraw/zinc/53/96/18/669539618.db2.gz YOWDXEHAKVIQON-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 ZINC001061918245 669539659 /nfs/dbraw/zinc/53/96/59/669539659.db2.gz YOWDXEHAKVIQON-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061919034 669537500 /nfs/dbraw/zinc/53/75/00/669537500.db2.gz DMNYCLAVWVKGCO-GFCCVEGCSA-N 1 0 348.407 -1.213 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061919035 669537175 /nfs/dbraw/zinc/53/71/75/669537175.db2.gz DMNYCLAVWVKGCO-LBPRGKRZSA-N 1 0 348.407 -1.213 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cc2nc[nH]n2)C1 ZINC001061919298 669539874 /nfs/dbraw/zinc/53/98/74/669539874.db2.gz KCRLPLAYAXUCQC-NEPJUHHUSA-N 1 0 336.396 -1.358 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)Cc2nc[nH]n2)C1 ZINC001061919299 669539891 /nfs/dbraw/zinc/53/98/91/669539891.db2.gz KCRLPLAYAXUCQC-NWDGAFQWSA-N 1 0 336.396 -1.358 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cc2nc[nH]n2)C1 ZINC001061919300 669539800 /nfs/dbraw/zinc/53/98/00/669539800.db2.gz KCRLPLAYAXUCQC-RYUDHWBXSA-N 1 0 336.396 -1.358 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cc2nc[nH]n2)C1 ZINC001061919301 669539700 /nfs/dbraw/zinc/53/97/00/669539700.db2.gz KCRLPLAYAXUCQC-VXGBXAGGSA-N 1 0 336.396 -1.358 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001061920024 669540489 /nfs/dbraw/zinc/54/04/89/669540489.db2.gz UVZHOIHVQNMZBE-NEPJUHHUSA-N 1 0 336.396 -1.215 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001061920025 669540443 /nfs/dbraw/zinc/54/04/43/669540443.db2.gz UVZHOIHVQNMZBE-RYUDHWBXSA-N 1 0 336.396 -1.215 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061920492 669540332 /nfs/dbraw/zinc/54/03/32/669540332.db2.gz XOSXOFLJZJCWMZ-GFCCVEGCSA-N 1 0 336.396 -1.213 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061920493 669540217 /nfs/dbraw/zinc/54/02/17/669540217.db2.gz XOSXOFLJZJCWMZ-LBPRGKRZSA-N 1 0 336.396 -1.213 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CCCCN1C(=O)CNC(N)=O ZINC001061995391 669554974 /nfs/dbraw/zinc/55/49/74/669554974.db2.gz FVGIXJUZTUITSO-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001062081939 669556816 /nfs/dbraw/zinc/55/68/16/669556816.db2.gz KFENYLBPFVQVNO-GFCCVEGCSA-N 1 0 328.413 -1.063 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001062227712 669560445 /nfs/dbraw/zinc/56/04/45/669560445.db2.gz IVXIATPOVGXQIX-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCCC[C@@H]1CNC(=O)CNC(N)=O ZINC001062281786 669562807 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C[NH+](C)CCOCC(=O)NC1(CNC(=O)CNC(N)=O)CCC1 ZINC001062491679 669570900 /nfs/dbraw/zinc/57/09/00/669570900.db2.gz NYXNBBMAZCPWRO-UHFFFAOYSA-N 1 0 329.401 -1.612 20 0 EAADRO O=C(Cn1cnnn1)NCC1(NC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001062499396 669572723 /nfs/dbraw/zinc/57/27/23/669572723.db2.gz HUEURIPODUCSSD-UHFFFAOYSA-N 1 0 333.396 -1.076 20 0 EAADRO C[NH+](C)CCOCC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 ZINC001062499460 669572792 /nfs/dbraw/zinc/57/27/92/669572792.db2.gz KHDTWYKBZLUUTP-UHFFFAOYSA-N 1 0 339.400 -1.594 20 0 EAADRO C[NH+](C)CCOCC(=O)NC1(CNC(=O)CS(C)(=O)=O)CCC1 ZINC001062655934 669585736 /nfs/dbraw/zinc/58/57/36/669585736.db2.gz YWXAIKGOZRDPET-UHFFFAOYSA-N 1 0 349.453 -1.236 20 0 EAADRO C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 ZINC001062707166 669594759 /nfs/dbraw/zinc/59/47/59/669594759.db2.gz QOKWPHNOTXSPET-GFCCVEGCSA-N 1 0 340.424 -1.002 20 0 EAADRO CCN1CCO[C@@H](C(=O)NC2(CNC(=O)CC(N)=O)CCC2)C1 ZINC001062735839 669608111 /nfs/dbraw/zinc/60/81/11/669608111.db2.gz 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ZYFYWVXHIPWCGW-IUODEOHRSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001065082578 669764636 /nfs/dbraw/zinc/76/46/36/669764636.db2.gz ZYFYWVXHIPWCGW-SWLSCSKDSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001065082579 669764483 /nfs/dbraw/zinc/76/44/83/669764483.db2.gz ZYFYWVXHIPWCGW-WFASDCNBSA-N 1 0 340.424 -1.194 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065083047 669765101 /nfs/dbraw/zinc/76/51/01/669765101.db2.gz GCCAPUDMAUJYLB-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065083048 669765004 /nfs/dbraw/zinc/76/50/04/669765004.db2.gz GCCAPUDMAUJYLB-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065083805 669765768 /nfs/dbraw/zinc/76/57/68/669765768.db2.gz MQZUEGKROGCUSF-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065083806 669765640 /nfs/dbraw/zinc/76/56/40/669765640.db2.gz MQZUEGKROGCUSF-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065084222 669765534 /nfs/dbraw/zinc/76/55/34/669765534.db2.gz VXLKQSCWEKPHCQ-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065084223 669765625 /nfs/dbraw/zinc/76/56/25/669765625.db2.gz VXLKQSCWEKPHCQ-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065084734 669766276 /nfs/dbraw/zinc/76/62/76/669766276.db2.gz AUELXGGPVIONGV-NWDGAFQWSA-N 1 0 341.412 -1.517 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065084735 669766403 /nfs/dbraw/zinc/76/64/03/669766403.db2.gz AUELXGGPVIONGV-RYUDHWBXSA-N 1 0 341.412 -1.517 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065084790 669766487 /nfs/dbraw/zinc/76/64/87/669766487.db2.gz BSECXJDYFZPYRT-QWRGUYRKSA-N 1 0 329.401 -1.662 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065084791 669766229 /nfs/dbraw/zinc/76/62/29/669766229.db2.gz BSECXJDYFZPYRT-WDEREUQCSA-N 1 0 329.401 -1.662 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065085166 669766289 /nfs/dbraw/zinc/76/62/89/669766289.db2.gz HHGBKMVVASCKKL-NWDGAFQWSA-N 1 0 343.428 -1.273 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001065085167 669766411 /nfs/dbraw/zinc/76/64/11/669766411.db2.gz HHGBKMVVASCKKL-RYUDHWBXSA-N 1 0 343.428 -1.273 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001065085446 669766513 /nfs/dbraw/zinc/76/65/13/669766513.db2.gz MBKRKYSPRGBLTJ-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001065085447 669766369 /nfs/dbraw/zinc/76/63/69/669766369.db2.gz MBKRKYSPRGBLTJ-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1)[NH+](C)C ZINC001065085696 669766383 /nfs/dbraw/zinc/76/63/83/669766383.db2.gz RDTLYZSZGXLJCA-SRVKXCTJSA-N 1 0 343.428 -1.273 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1)[NH+](C)C ZINC001065085697 669766472 /nfs/dbraw/zinc/76/64/72/669766472.db2.gz RDTLYZSZGXLJCA-TUAOUCFPSA-N 1 0 343.428 -1.273 20 0 EAADRO Cn1oc(C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001065087216 669766893 /nfs/dbraw/zinc/76/68/93/669766893.db2.gz KJPGALLFLNKHOK-LLVKDONJSA-N 1 0 340.380 -1.113 20 0 EAADRO Cn1oc(C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001065087217 669766909 /nfs/dbraw/zinc/76/69/09/669766909.db2.gz KJPGALLFLNKHOK-NSHDSACASA-N 1 0 340.380 -1.113 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065087776 669767510 /nfs/dbraw/zinc/76/75/10/669767510.db2.gz SJYULZUVTSKKMR-AWEZNQCLSA-N 1 0 340.424 -1.240 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065087777 669767615 /nfs/dbraw/zinc/76/76/15/669767615.db2.gz SJYULZUVTSKKMR-CQSZACIVSA-N 1 0 340.424 -1.240 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001065088116 669767406 /nfs/dbraw/zinc/76/74/06/669767406.db2.gz VPDRNHJDRCXSIZ-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001065088118 669767425 /nfs/dbraw/zinc/76/74/25/669767425.db2.gz VPDRNHJDRCXSIZ-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065107678 669775619 /nfs/dbraw/zinc/77/56/19/669775619.db2.gz HCXSDJWTPSCLKC-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065107679 669775610 /nfs/dbraw/zinc/77/56/10/669775610.db2.gz HCXSDJWTPSCLKC-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065107680 669775337 /nfs/dbraw/zinc/77/53/37/669775337.db2.gz HCXSDJWTPSCLKC-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065107681 669775413 /nfs/dbraw/zinc/77/54/13/669775413.db2.gz HCXSDJWTPSCLKC-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065107812 669775592 /nfs/dbraw/zinc/77/55/92/669775592.db2.gz JMNFECQNKXFJCM-NEPJUHHUSA-N 1 0 342.396 -1.221 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065107813 669775345 /nfs/dbraw/zinc/77/53/45/669775345.db2.gz JMNFECQNKXFJCM-NWDGAFQWSA-N 1 0 342.396 -1.221 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065107814 669775679 /nfs/dbraw/zinc/77/56/79/669775679.db2.gz JMNFECQNKXFJCM-RYUDHWBXSA-N 1 0 342.396 -1.221 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065107815 669775478 /nfs/dbraw/zinc/77/54/78/669775478.db2.gz JMNFECQNKXFJCM-VXGBXAGGSA-N 1 0 342.396 -1.221 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065107838 669775470 /nfs/dbraw/zinc/77/54/70/669775470.db2.gz JWOQWWTXYOFHRE-NEPJUHHUSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065107839 669775558 /nfs/dbraw/zinc/77/55/58/669775558.db2.gz JWOQWWTXYOFHRE-NWDGAFQWSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065107840 669775506 /nfs/dbraw/zinc/77/55/06/669775506.db2.gz JWOQWWTXYOFHRE-RYUDHWBXSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065107841 669775462 /nfs/dbraw/zinc/77/54/62/669775462.db2.gz JWOQWWTXYOFHRE-VXGBXAGGSA-N 1 0 340.380 -1.466 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065108128 669775514 /nfs/dbraw/zinc/77/55/14/669775514.db2.gz PAJVJSSYLBSBRW-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065108129 669775364 /nfs/dbraw/zinc/77/53/64/669775364.db2.gz PAJVJSSYLBSBRW-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065108130 669775536 /nfs/dbraw/zinc/77/55/36/669775536.db2.gz PAJVJSSYLBSBRW-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065108131 669775527 /nfs/dbraw/zinc/77/55/27/669775527.db2.gz PAJVJSSYLBSBRW-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065108626 669776252 /nfs/dbraw/zinc/77/62/52/669776252.db2.gz UWJCTQLFFYZKIV-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065108627 669776230 /nfs/dbraw/zinc/77/62/30/669776230.db2.gz UWJCTQLFFYZKIV-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065108628 669776158 /nfs/dbraw/zinc/77/61/58/669776158.db2.gz UWJCTQLFFYZKIV-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065108629 669776104 /nfs/dbraw/zinc/77/61/04/669776104.db2.gz UWJCTQLFFYZKIV-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO Cn1nncc1C(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065108882 669776052 /nfs/dbraw/zinc/77/60/52/669776052.db2.gz VOTZXZKJUJRHBB-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1nncc1C(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065108883 669776045 /nfs/dbraw/zinc/77/60/45/669776045.db2.gz VOTZXZKJUJRHBB-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065109142 669776200 /nfs/dbraw/zinc/77/62/00/669776200.db2.gz XAVJRKRPRXTAQN-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065109143 669776323 /nfs/dbraw/zinc/77/63/23/669776323.db2.gz XAVJRKRPRXTAQN-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065109144 669775992 /nfs/dbraw/zinc/77/59/92/669775992.db2.gz XAVJRKRPRXTAQN-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065109145 669776166 /nfs/dbraw/zinc/77/61/66/669776166.db2.gz XAVJRKRPRXTAQN-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065109194 669776023 /nfs/dbraw/zinc/77/60/23/669776023.db2.gz XSDYQNQWVMVJGC-GHMZBOCLSA-N 1 0 328.369 -1.610 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065109195 669776125 /nfs/dbraw/zinc/77/61/25/669776125.db2.gz XSDYQNQWVMVJGC-MNOVXSKESA-N 1 0 328.369 -1.610 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001065109196 669776305 /nfs/dbraw/zinc/77/63/05/669776305.db2.gz XSDYQNQWVMVJGC-QWRGUYRKSA-N 1 0 328.369 -1.610 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001065109197 669776079 /nfs/dbraw/zinc/77/60/79/669776079.db2.gz XSDYQNQWVMVJGC-WDEREUQCSA-N 1 0 328.369 -1.610 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001065109584 669776672 /nfs/dbraw/zinc/77/66/72/669776672.db2.gz GHWSDINESVTXAY-DZGCQCFKSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001065109585 669776685 /nfs/dbraw/zinc/77/66/85/669776685.db2.gz GHWSDINESVTXAY-UKRRQHHQSA-N 1 0 345.440 -1.075 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001065113286 669771774 /nfs/dbraw/zinc/77/17/74/669771774.db2.gz FLOFKWZKDYKCEW-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001065113287 669771843 /nfs/dbraw/zinc/77/18/43/669771843.db2.gz FLOFKWZKDYKCEW-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001065115933 669773967 /nfs/dbraw/zinc/77/39/67/669773967.db2.gz NEKAYBWLFCMALN-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001065115935 669773876 /nfs/dbraw/zinc/77/38/76/669773876.db2.gz NEKAYBWLFCMALN-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001065119340 669777460 /nfs/dbraw/zinc/77/74/60/669777460.db2.gz ATPWGMVFRLENEY-GFCCVEGCSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001065119341 669777431 /nfs/dbraw/zinc/77/74/31/669777431.db2.gz ATPWGMVFRLENEY-LBPRGKRZSA-N 1 0 339.396 -1.055 20 0 EAADRO CNC(=O)NCCC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065120130 669777404 /nfs/dbraw/zinc/77/74/04/669777404.db2.gz INQDDUFFLHDQPF-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCCC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065120131 669777388 /nfs/dbraw/zinc/77/73/88/669777388.db2.gz INQDDUFFLHDQPF-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001065137835 669783775 /nfs/dbraw/zinc/78/37/75/669783775.db2.gz CMEBAWBNJXWGRS-GFCCVEGCSA-N 1 0 338.412 -1.049 20 0 EAADRO Cc1nnc(CC(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001065137836 669783548 /nfs/dbraw/zinc/78/35/48/669783548.db2.gz CMEBAWBNJXWGRS-LBPRGKRZSA-N 1 0 338.412 -1.049 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001065141390 669779097 /nfs/dbraw/zinc/77/90/97/669779097.db2.gz DWQBTZHOWPLJOS-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001065141391 669779120 /nfs/dbraw/zinc/77/91/20/669779120.db2.gz DWQBTZHOWPLJOS-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001065141448 669779081 /nfs/dbraw/zinc/77/90/81/669779081.db2.gz FOLNQYUOHRLIHF-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001065141449 669779064 /nfs/dbraw/zinc/77/90/64/669779064.db2.gz FOLNQYUOHRLIHF-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001065141701 669779052 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669786582 /nfs/dbraw/zinc/78/65/82/669786582.db2.gz ULIQEAWTAHYQRP-STQMWFEESA-N 1 0 340.424 -1.240 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)Cn3nccn3)C2)C1 ZINC001065169946 669786327 /nfs/dbraw/zinc/78/63/27/669786327.db2.gz UNKNWQFDNVDYIP-CHWSQXEVSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)Cn3nccn3)C2)C1 ZINC001065169947 669786346 /nfs/dbraw/zinc/78/63/46/669786346.db2.gz UNKNWQFDNVDYIP-OLZOCXBDSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)Cn3nccn3)C2)C1 ZINC001065169948 669786552 /nfs/dbraw/zinc/78/65/52/669786552.db2.gz UNKNWQFDNVDYIP-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)Cn3nccn3)C2)C1 ZINC001065169949 669786218 /nfs/dbraw/zinc/78/62/18/669786218.db2.gz UNKNWQFDNVDYIP-STQMWFEESA-N 1 0 336.396 -1.427 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170033 669786242 /nfs/dbraw/zinc/78/62/42/669786242.db2.gz URXVUKBTFFXRJB-NEPJUHHUSA-N 1 0 342.396 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170034 669786166 /nfs/dbraw/zinc/78/61/66/669786166.db2.gz URXVUKBTFFXRJB-NWDGAFQWSA-N 1 0 342.396 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170035 669786383 /nfs/dbraw/zinc/78/63/83/669786383.db2.gz URXVUKBTFFXRJB-RYUDHWBXSA-N 1 0 342.396 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170036 669786202 /nfs/dbraw/zinc/78/62/02/669786202.db2.gz URXVUKBTFFXRJB-VXGBXAGGSA-N 1 0 342.396 -1.362 20 0 EAADRO COCCOCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170219 669786159 /nfs/dbraw/zinc/78/61/59/669786159.db2.gz XXDIYXPIXVSEBI-KBPBESRZSA-N 1 0 343.424 -1.055 20 0 EAADRO COCCOCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170220 669786175 /nfs/dbraw/zinc/78/61/75/669786175.db2.gz XXDIYXPIXVSEBI-KGLIPLIRSA-N 1 0 343.424 -1.055 20 0 EAADRO COCCOCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170221 669786497 /nfs/dbraw/zinc/78/64/97/669786497.db2.gz XXDIYXPIXVSEBI-UONOGXRCSA-N 1 0 343.424 -1.055 20 0 EAADRO COCCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170222 669786439 /nfs/dbraw/zinc/78/64/39/669786439.db2.gz XXDIYXPIXVSEBI-ZIAGYGMSSA-N 1 0 343.424 -1.055 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC1 ZINC001065171050 669786940 /nfs/dbraw/zinc/78/69/40/669786940.db2.gz BPUGMKPTGFGGAU-GFCCVEGCSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC1 ZINC001065171051 669787274 /nfs/dbraw/zinc/78/72/74/669787274.db2.gz BPUGMKPTGFGGAU-LBPRGKRZSA-N 1 0 338.408 -1.309 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171197 669787227 /nfs/dbraw/zinc/78/72/27/669787227.db2.gz DHZZTWSTXRATPQ-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171199 669787261 /nfs/dbraw/zinc/78/72/61/669787261.db2.gz DHZZTWSTXRATPQ-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO NC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171218 669787081 /nfs/dbraw/zinc/78/70/81/669787081.db2.gz DMSSERFXUIBRRX-LLVKDONJSA-N 1 0 327.385 -1.906 20 0 EAADRO NC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171220 669786993 /nfs/dbraw/zinc/78/69/93/669786993.db2.gz DMSSERFXUIBRRX-NSHDSACASA-N 1 0 327.385 -1.906 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171221 669787040 /nfs/dbraw/zinc/78/70/40/669787040.db2.gz DPKCHYNTJTWNMO-NWDGAFQWSA-N 1 0 341.412 -1.517 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171222 669787215 /nfs/dbraw/zinc/78/72/15/669787215.db2.gz DPKCHYNTJTWNMO-RYUDHWBXSA-N 1 0 341.412 -1.517 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171299 669787185 /nfs/dbraw/zinc/78/71/85/669787185.db2.gz FKSBXRXCNDCLQP-GFCCVEGCSA-N 1 0 336.396 -1.213 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171300 669787087 /nfs/dbraw/zinc/78/70/87/669787087.db2.gz FKSBXRXCNDCLQP-LBPRGKRZSA-N 1 0 336.396 -1.213 20 0 EAADRO COCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001065171317 669787145 /nfs/dbraw/zinc/78/71/45/669787145.db2.gz FXGMGHDCOLBUKH-KBPBESRZSA-N 1 0 343.424 -1.055 20 0 EAADRO COCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001065171318 669787066 /nfs/dbraw/zinc/78/70/66/669787066.db2.gz FXGMGHDCOLBUKH-KGLIPLIRSA-N 1 0 343.424 -1.055 20 0 EAADRO COCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001065171319 669787079 /nfs/dbraw/zinc/78/70/79/669787079.db2.gz FXGMGHDCOLBUKH-UONOGXRCSA-N 1 0 343.424 -1.055 20 0 EAADRO COCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001065171320 669787287 /nfs/dbraw/zinc/78/72/87/669787287.db2.gz FXGMGHDCOLBUKH-ZIAGYGMSSA-N 1 0 343.424 -1.055 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171355 669786974 /nfs/dbraw/zinc/78/69/74/669786974.db2.gz GJPKOTSHPKVPQK-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171356 669787302 /nfs/dbraw/zinc/78/73/02/669787302.db2.gz GJPKOTSHPKVPQK-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171564 669787100 /nfs/dbraw/zinc/78/71/00/669787100.db2.gz HLCXPZBPBKWPNX-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171565 669786966 /nfs/dbraw/zinc/78/69/66/669786966.db2.gz HLCXPZBPBKWPNX-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO O=C(Cn1nccn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171568 669786892 /nfs/dbraw/zinc/78/68/92/669786892.db2.gz HREYUZLPZZHZRL-CYBMUJFWSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(Cn1nccn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171569 669787122 /nfs/dbraw/zinc/78/71/22/669787122.db2.gz HREYUZLPZZHZRL-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065171650 669787234 /nfs/dbraw/zinc/78/72/34/669787234.db2.gz JJLGWWTZYOFSHE-NEPJUHHUSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065171651 669787159 /nfs/dbraw/zinc/78/71/59/669787159.db2.gz JJLGWWTZYOFSHE-NWDGAFQWSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065171652 669787076 /nfs/dbraw/zinc/78/70/76/669787076.db2.gz JJLGWWTZYOFSHE-RYUDHWBXSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065171653 669786933 /nfs/dbraw/zinc/78/69/33/669786933.db2.gz JJLGWWTZYOFSHE-VXGBXAGGSA-N 1 0 342.396 -2.216 20 0 EAADRO CS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171656 669787242 /nfs/dbraw/zinc/78/72/42/669787242.db2.gz JKJGESUVBLKZHP-GFCCVEGCSA-N 1 0 347.437 -1.530 20 0 EAADRO CS(=O)(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171657 669787172 /nfs/dbraw/zinc/78/71/72/669787172.db2.gz JKJGESUVBLKZHP-LBPRGKRZSA-N 1 0 347.437 -1.530 20 0 EAADRO O=C(Cn1cncn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171676 669787280 /nfs/dbraw/zinc/78/72/80/669787280.db2.gz JRPNUIRWWWGDAR-CYBMUJFWSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(Cn1cncn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171677 669786917 /nfs/dbraw/zinc/78/69/17/669786917.db2.gz JRPNUIRWWWGDAR-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171768 669787250 /nfs/dbraw/zinc/78/72/50/669787250.db2.gz LHSYNPQGDSLNEQ-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171769 669787637 /nfs/dbraw/zinc/78/76/37/669787637.db2.gz LHSYNPQGDSLNEQ-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171780 669787654 /nfs/dbraw/zinc/78/76/54/669787654.db2.gz LLBKBMXXGNZBFX-GFCCVEGCSA-N 1 0 341.412 -1.645 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171781 669787538 /nfs/dbraw/zinc/78/75/38/669787538.db2.gz LLBKBMXXGNZBFX-LBPRGKRZSA-N 1 0 341.412 -1.645 20 0 EAADRO NC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171792 669787846 /nfs/dbraw/zinc/78/78/46/669787846.db2.gz LUSIYXSRCZSJKF-GFCCVEGCSA-N 1 0 341.412 -1.516 20 0 EAADRO NC(=O)NCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171793 669787551 /nfs/dbraw/zinc/78/75/51/669787551.db2.gz LUSIYXSRCZSJKF-LBPRGKRZSA-N 1 0 341.412 -1.516 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171902 669787684 /nfs/dbraw/zinc/78/76/84/669787684.db2.gz OFBHTYOTBAZEAS-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171903 669787903 /nfs/dbraw/zinc/78/79/03/669787903.db2.gz OFBHTYOTBAZEAS-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172016 669788045 /nfs/dbraw/zinc/78/80/45/669788045.db2.gz QHALDABRBXRUHA-GFCCVEGCSA-N 1 0 337.384 -1.888 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172017 669787600 /nfs/dbraw/zinc/78/76/00/669787600.db2.gz QHALDABRBXRUHA-LBPRGKRZSA-N 1 0 337.384 -1.888 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172124 669787968 /nfs/dbraw/zinc/78/79/68/669787968.db2.gz SGEWJNCRSRFHMD-GFCCVEGCSA-N 1 0 337.384 -1.888 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172125 669787938 /nfs/dbraw/zinc/78/79/38/669787938.db2.gz SGEWJNCRSRFHMD-LBPRGKRZSA-N 1 0 337.384 -1.888 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172128 669787523 /nfs/dbraw/zinc/78/75/23/669787523.db2.gz SIQSMKYPCVRHDB-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172129 669787856 /nfs/dbraw/zinc/78/78/56/669787856.db2.gz SIQSMKYPCVRHDB-LBPRGKRZSA-N 1 0 342.396 -1.218 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172136 669787813 /nfs/dbraw/zinc/78/78/13/669787813.db2.gz SLVOXMNBWGKPLV-GXTWGEPZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172137 669787514 /nfs/dbraw/zinc/78/75/14/669787514.db2.gz SLVOXMNBWGKPLV-JSGCOSHPSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172138 669787659 /nfs/dbraw/zinc/78/76/59/669787659.db2.gz SLVOXMNBWGKPLV-OCCSQVGLSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172139 669788029 /nfs/dbraw/zinc/78/80/29/669788029.db2.gz SLVOXMNBWGKPLV-TZMCWYRMSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172188 669787914 /nfs/dbraw/zinc/78/79/14/669787914.db2.gz UPFVZXRNEDQRHU-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172189 669787753 /nfs/dbraw/zinc/78/77/53/669787753.db2.gz UPFVZXRNEDQRHU-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172190 669787622 /nfs/dbraw/zinc/78/76/22/669787622.db2.gz UPFVZXRNEDQRHU-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172191 669787674 /nfs/dbraw/zinc/78/76/74/669787674.db2.gz UPFVZXRNEDQRHU-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172262 669787792 /nfs/dbraw/zinc/78/77/92/669787792.db2.gz WHXDVCLSYNNWLM-AWEZNQCLSA-N 1 0 340.424 -1.096 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172263 669787926 /nfs/dbraw/zinc/78/79/26/669787926.db2.gz WHXDVCLSYNNWLM-CQSZACIVSA-N 1 0 340.424 -1.096 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172324 669787783 /nfs/dbraw/zinc/78/77/83/669787783.db2.gz XGRXXHZACJDGGS-CYBMUJFWSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172325 669788016 /nfs/dbraw/zinc/78/80/16/669788016.db2.gz XGRXXHZACJDGGS-ZDUSSCGKSA-N 1 0 326.397 -1.438 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001065176895 669795179 /nfs/dbraw/zinc/79/51/79/669795179.db2.gz BIGYYKZGTFMKDU-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001065176897 669795217 /nfs/dbraw/zinc/79/52/17/669795217.db2.gz BIGYYKZGTFMKDU-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001065176924 669795318 /nfs/dbraw/zinc/79/53/18/669795318.db2.gz BMEVLXGHQPGZES-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001065176926 669795306 /nfs/dbraw/zinc/79/53/06/669795306.db2.gz BMEVLXGHQPGZES-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001065176973 669795289 /nfs/dbraw/zinc/79/52/89/669795289.db2.gz CPQYQKAGYSWOKJ-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001065176974 669795187 /nfs/dbraw/zinc/79/51/87/669795187.db2.gz CPQYQKAGYSWOKJ-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001065177196 669795263 /nfs/dbraw/zinc/79/52/63/669795263.db2.gz DTTNAMBOJOFTMP-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001065177197 669795372 /nfs/dbraw/zinc/79/53/72/669795372.db2.gz DTTNAMBOJOFTMP-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001065177419 669795594 /nfs/dbraw/zinc/79/55/94/669795594.db2.gz FLNMVOVAIWRODB-UPJWGTAASA-N 1 0 340.424 -1.207 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001065177420 669795938 /nfs/dbraw/zinc/79/59/38/669795938.db2.gz FLNMVOVAIWRODB-XQQFMLRXSA-N 1 0 340.424 -1.207 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001065177501 669795946 /nfs/dbraw/zinc/79/59/46/669795946.db2.gz GQXNQGVTOHTPQI-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001065177502 669795625 /nfs/dbraw/zinc/79/56/25/669795625.db2.gz GQXNQGVTOHTPQI-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001065177665 669795897 /nfs/dbraw/zinc/79/58/97/669795897.db2.gz HUUCNPQHGJOYES-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001065177666 669795999 /nfs/dbraw/zinc/79/59/99/669795999.db2.gz HUUCNPQHGJOYES-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1 ZINC001065177682 669795780 /nfs/dbraw/zinc/79/57/80/669795780.db2.gz ICZYIRSHFUXSMC-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001065177683 669795863 /nfs/dbraw/zinc/79/58/63/669795863.db2.gz ICZYIRSHFUXSMC-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001065177690 669795969 /nfs/dbraw/zinc/79/59/69/669795969.db2.gz IDZQMLBGQJMMKL-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001065177691 669795741 /nfs/dbraw/zinc/79/57/41/669795741.db2.gz IDZQMLBGQJMMKL-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001065177807 669795978 /nfs/dbraw/zinc/79/59/78/669795978.db2.gz JIDCUHLJXHUYOY-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001065177808 669795877 /nfs/dbraw/zinc/79/58/77/669795877.db2.gz JIDCUHLJXHUYOY-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001065178357 669796059 /nfs/dbraw/zinc/79/60/59/669796059.db2.gz QTKWQDLVJQVBIO-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001065178359 669795840 /nfs/dbraw/zinc/79/58/40/669795840.db2.gz QTKWQDLVJQVBIO-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001065178464 669796009 /nfs/dbraw/zinc/79/60/09/669796009.db2.gz SEUJDWILYFMWBV-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001065178465 669795702 /nfs/dbraw/zinc/79/57/02/669795702.db2.gz SEUJDWILYFMWBV-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001065178530 669795812 /nfs/dbraw/zinc/79/58/12/669795812.db2.gz UEQIVNXNIWKKBG-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001065178531 669795832 /nfs/dbraw/zinc/79/58/32/669795832.db2.gz UEQIVNXNIWKKBG-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001065178532 669795913 /nfs/dbraw/zinc/79/59/13/669795913.db2.gz UEQIVNXNIWKKBG-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001065178533 669796082 /nfs/dbraw/zinc/79/60/82/669796082.db2.gz UEQIVNXNIWKKBG-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001065178542 669795662 /nfs/dbraw/zinc/79/56/62/669795662.db2.gz UNBZJPDLJQNJFR-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001065178543 669795987 /nfs/dbraw/zinc/79/59/87/669795987.db2.gz UNBZJPDLJQNJFR-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001065178544 669795691 /nfs/dbraw/zinc/79/56/91/669795691.db2.gz UNBZJPDLJQNJFR-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001065178545 669795885 /nfs/dbraw/zinc/79/58/85/669795885.db2.gz UNBZJPDLJQNJFR-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001065178704 669795675 /nfs/dbraw/zinc/79/56/75/669795675.db2.gz WAFNOBYKEFWMBP-LLVKDONJSA-N 1 0 339.400 -1.491 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001065178705 669795750 /nfs/dbraw/zinc/79/57/50/669795750.db2.gz WAFNOBYKEFWMBP-NSHDSACASA-N 1 0 339.400 -1.491 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001065178860 669796622 /nfs/dbraw/zinc/79/66/22/669796622.db2.gz XNUGWUYKJBCTGH-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001065178861 669796315 /nfs/dbraw/zinc/79/63/15/669796315.db2.gz XNUGWUYKJBCTGH-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001065178930 669796668 /nfs/dbraw/zinc/79/66/68/669796668.db2.gz YTXSVLFQYNWIRL-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001065178931 669796403 /nfs/dbraw/zinc/79/64/03/669796403.db2.gz YTXSVLFQYNWIRL-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001065178932 669796366 /nfs/dbraw/zinc/79/63/66/669796366.db2.gz YTXSVLFQYNWIRL-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001065178933 669796436 /nfs/dbraw/zinc/79/64/36/669796436.db2.gz YTXSVLFQYNWIRL-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001065179060 669796551 /nfs/dbraw/zinc/79/65/51/669796551.db2.gz ZMOCNFASNTYOEZ-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001065179061 669796384 /nfs/dbraw/zinc/79/63/84/669796384.db2.gz ZMOCNFASNTYOEZ-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001065179063 669796337 /nfs/dbraw/zinc/79/63/37/669796337.db2.gz ZMOCNFASNTYOEZ-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001065179064 669796485 /nfs/dbraw/zinc/79/64/85/669796485.db2.gz ZMOCNFASNTYOEZ-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1)[NH+](C)C ZINC001065181421 669796319 /nfs/dbraw/zinc/79/63/19/669796319.db2.gz ALFVJIMJNSLISP-NEPJUHHUSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1)[NH+](C)C ZINC001065181423 669796455 /nfs/dbraw/zinc/79/64/55/669796455.db2.gz ALFVJIMJNSLISP-NWDGAFQWSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1)[NH+](C)C ZINC001065181425 669796539 /nfs/dbraw/zinc/79/65/39/669796539.db2.gz ALFVJIMJNSLISP-RYUDHWBXSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1)[NH+](C)C ZINC001065181427 669796604 /nfs/dbraw/zinc/79/66/04/669796604.db2.gz ALFVJIMJNSLISP-VXGBXAGGSA-N 1 0 339.400 -1.643 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065182160 669797745 /nfs/dbraw/zinc/79/77/45/669797745.db2.gz HRAIBUPUSFJJPT-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065182162 669797789 /nfs/dbraw/zinc/79/77/89/669797789.db2.gz HRAIBUPUSFJJPT-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065182450 669797633 /nfs/dbraw/zinc/79/76/33/669797633.db2.gz JFPZCQCTUKGLKS-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065182451 669797563 /nfs/dbraw/zinc/79/75/63/669797563.db2.gz JFPZCQCTUKGLKS-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065182812 669798309 /nfs/dbraw/zinc/79/83/09/669798309.db2.gz NDUHRKVJDGEEKB-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065182813 669798367 /nfs/dbraw/zinc/79/83/67/669798367.db2.gz NDUHRKVJDGEEKB-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183299 669798770 /nfs/dbraw/zinc/79/87/70/669798770.db2.gz QSYNLGXCJMYBEG-GFCCVEGCSA-N 1 0 337.384 -1.888 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183301 669799009 /nfs/dbraw/zinc/79/90/09/669799009.db2.gz QSYNLGXCJMYBEG-LBPRGKRZSA-N 1 0 337.384 -1.888 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183331 669798729 /nfs/dbraw/zinc/79/87/29/669798729.db2.gz RAKDXNZJUCSYQS-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183333 669798791 /nfs/dbraw/zinc/79/87/91/669798791.db2.gz RAKDXNZJUCSYQS-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183724 669799244 /nfs/dbraw/zinc/79/92/44/669799244.db2.gz WTLZQVBOPXMDNS-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183725 669799455 /nfs/dbraw/zinc/79/94/55/669799455.db2.gz WTLZQVBOPXMDNS-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183976 669799356 /nfs/dbraw/zinc/79/93/56/669799356.db2.gz ZHKXDKYZJYTXQM-GFCCVEGCSA-N 1 0 339.400 -1.643 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001065183977 669799337 /nfs/dbraw/zinc/79/93/37/669799337.db2.gz ZHKXDKYZJYTXQM-LBPRGKRZSA-N 1 0 339.400 -1.643 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001065185590 669799449 /nfs/dbraw/zinc/79/94/49/669799449.db2.gz IKADMLDSTXNWBN-CHWSQXEVSA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001065185591 669799629 /nfs/dbraw/zinc/79/96/29/669799629.db2.gz IKADMLDSTXNWBN-OLZOCXBDSA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001065185592 669799353 /nfs/dbraw/zinc/79/93/53/669799353.db2.gz IKADMLDSTXNWBN-QWHCGFSZSA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001065185593 669799283 /nfs/dbraw/zinc/79/92/83/669799283.db2.gz IKADMLDSTXNWBN-STQMWFEESA-N 1 0 338.408 -1.453 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001065186118 669800325 /nfs/dbraw/zinc/80/03/25/669800325.db2.gz BHUHBNTZLLCNBY-GFCCVEGCSA-N 1 0 347.437 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC001065186119 669799939 /nfs/dbraw/zinc/79/99/39/669799939.db2.gz BHUHBNTZLLCNBY-LBPRGKRZSA-N 1 0 347.437 -1.674 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065194314 669800353 /nfs/dbraw/zinc/80/03/53/669800353.db2.gz BNZIOIMZFWPDDJ-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065194316 669799966 /nfs/dbraw/zinc/79/99/66/669799966.db2.gz BNZIOIMZFWPDDJ-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065194351 669800008 /nfs/dbraw/zinc/80/00/08/669800008.db2.gz BZGIQXAUBDTUFK-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065194353 669800362 /nfs/dbraw/zinc/80/03/62/669800362.db2.gz BZGIQXAUBDTUFK-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065194946 669800742 /nfs/dbraw/zinc/80/07/42/669800742.db2.gz IWKIJGIHODWQDX-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065194947 669800916 /nfs/dbraw/zinc/80/09/16/669800916.db2.gz IWKIJGIHODWQDX-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065195413 669801491 /nfs/dbraw/zinc/80/14/91/669801491.db2.gz NUZVAVXGEKFUEX-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065195414 669801593 /nfs/dbraw/zinc/80/15/93/669801593.db2.gz NUZVAVXGEKFUEX-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065195551 669801372 /nfs/dbraw/zinc/80/13/72/669801372.db2.gz PTXVOVRPGCOZGP-CYBMUJFWSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065195553 669801406 /nfs/dbraw/zinc/80/14/06/669801406.db2.gz PTXVOVRPGCOZGP-ZDUSSCGKSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1)[NH+](C)C ZINC001065196240 669801833 /nfs/dbraw/zinc/80/18/33/669801833.db2.gz XPSAXRZIWHBFRL-CHWSQXEVSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1)[NH+](C)C ZINC001065196241 669801906 /nfs/dbraw/zinc/80/19/06/669801906.db2.gz XPSAXRZIWHBFRL-OLZOCXBDSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1)[NH+](C)C ZINC001065196242 669801805 /nfs/dbraw/zinc/80/18/05/669801805.db2.gz XPSAXRZIWHBFRL-QWHCGFSZSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1)[NH+](C)C ZINC001065196243 669802076 /nfs/dbraw/zinc/80/20/76/669802076.db2.gz XPSAXRZIWHBFRL-STQMWFEESA-N 1 0 338.412 -1.038 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065196252 669801742 /nfs/dbraw/zinc/80/17/42/669801742.db2.gz XULMSWJKSDDMMW-CYBMUJFWSA-N 1 0 336.396 -1.283 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001065196253 669801875 /nfs/dbraw/zinc/80/18/75/669801875.db2.gz XULMSWJKSDDMMW-ZDUSSCGKSA-N 1 0 336.396 -1.283 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001065205281 669803105 /nfs/dbraw/zinc/80/31/05/669803105.db2.gz BMGIGNKNLUFSMN-GRYCIOLGSA-N 1 0 341.412 -1.662 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001065205283 669803294 /nfs/dbraw/zinc/80/32/94/669803294.db2.gz BMGIGNKNLUFSMN-IJLUTSLNSA-N 1 0 341.412 -1.662 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065205507 669803092 /nfs/dbraw/zinc/80/30/92/669803092.db2.gz DPTKLBZGGRQGDL-KWCYVHTRSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065205508 669803015 /nfs/dbraw/zinc/80/30/15/669803015.db2.gz DPTKLBZGGRQGDL-MRVWCRGKSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065207657 669803136 /nfs/dbraw/zinc/80/31/36/669803136.db2.gz UNWMOGRMBPFSQZ-FRRDWIJNSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065207658 669803167 /nfs/dbraw/zinc/80/31/67/669803167.db2.gz UNWMOGRMBPFSQZ-JHJVBQTASA-N 1 0 340.424 -1.194 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001065207773 669803370 /nfs/dbraw/zinc/80/33/70/669803370.db2.gz WTZLAZUCBHWPKA-GRYCIOLGSA-N 1 0 326.397 -1.454 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001065207774 669803320 /nfs/dbraw/zinc/80/33/20/669803320.db2.gz WTZLAZUCBHWPKA-IJLUTSLNSA-N 1 0 326.397 -1.454 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001065212492 669803919 /nfs/dbraw/zinc/80/39/19/669803919.db2.gz OAYSEJRDQSXBEB-FRRDWIJNSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001065212493 669803830 /nfs/dbraw/zinc/80/38/30/669803830.db2.gz OAYSEJRDQSXBEB-RWMBFGLXSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001065212656 669803640 /nfs/dbraw/zinc/80/36/40/669803640.db2.gz RYLVFMJTCIWTOU-GRYCIOLGSA-N 1 0 326.397 -1.454 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001065212657 669803879 /nfs/dbraw/zinc/80/38/79/669803879.db2.gz RYLVFMJTCIWTOU-SDDRHHMPSA-N 1 0 326.397 -1.454 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065227508 669805582 /nfs/dbraw/zinc/80/55/82/669805582.db2.gz GASMPGGHGRAKSL-GHMZBOCLSA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065227509 669805483 /nfs/dbraw/zinc/80/54/83/669805483.db2.gz GASMPGGHGRAKSL-MNOVXSKESA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065227510 669805354 /nfs/dbraw/zinc/80/53/54/669805354.db2.gz GASMPGGHGRAKSL-QWRGUYRKSA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065227511 669805585 /nfs/dbraw/zinc/80/55/85/669805585.db2.gz GASMPGGHGRAKSL-WDEREUQCSA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065228104 669805570 /nfs/dbraw/zinc/80/55/70/669805570.db2.gz ZXQQADBXSTXKJK-NEPJUHHUSA-N 1 0 346.403 -1.115 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001065228105 669805541 /nfs/dbraw/zinc/80/55/41/669805541.db2.gz ZXQQADBXSTXKJK-NWDGAFQWSA-N 1 0 346.403 -1.115 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001065228106 669806126 /nfs/dbraw/zinc/80/61/26/669806126.db2.gz ZXQQADBXSTXKJK-RYUDHWBXSA-N 1 0 346.403 -1.115 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065228107 669805901 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341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001065254821 669815586 /nfs/dbraw/zinc/81/55/86/669815586.db2.gz YXOUZTJSVPZUJF-VXGBXAGGSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001065254844 669815451 /nfs/dbraw/zinc/81/54/51/669815451.db2.gz ZMTMGOWZYBSSFQ-LLVKDONJSA-N 1 0 329.401 -1.662 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001065254845 669815293 /nfs/dbraw/zinc/81/52/93/669815293.db2.gz ZMTMGOWZYBSSFQ-NSHDSACASA-N 1 0 329.401 -1.662 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001065256053 669816244 /nfs/dbraw/zinc/81/62/44/669816244.db2.gz IIGXZDRCJLPPNS-CYBMUJFWSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001065256056 669816347 /nfs/dbraw/zinc/81/63/47/669816347.db2.gz IIGXZDRCJLPPNS-ZDUSSCGKSA-N 1 0 338.412 -1.038 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001065256546 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341.412 -1.662 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001065260996 669817065 /nfs/dbraw/zinc/81/70/65/669817065.db2.gz VEIJWOZAKJYOJY-DZGCQCFKSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001065260998 669817219 /nfs/dbraw/zinc/81/72/19/669817219.db2.gz VEIJWOZAKJYOJY-HIFRSBDPSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001065261000 669816909 /nfs/dbraw/zinc/81/69/09/669816909.db2.gz VEIJWOZAKJYOJY-UKRRQHHQSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001065261002 669817027 /nfs/dbraw/zinc/81/70/27/669817027.db2.gz VEIJWOZAKJYOJY-ZFWWWQNUSA-N 1 0 340.424 -1.194 20 0 EAADRO C[NH+](C)C1(C(=O)N2CCO[C@H](CNC(=O)CNC(N)=O)C2)CCC1 ZINC001065261008 669817081 /nfs/dbraw/zinc/81/70/81/669817081.db2.gz VFNJGGWXKBAACH-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)C1(C(=O)N2CCO[C@@H](CNC(=O)CNC(N)=O)C2)CCC1 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EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001065270639 669819689 /nfs/dbraw/zinc/81/96/89/669819689.db2.gz AOZWDMGTZVCDCG-CQSZACIVSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001065271234 669819701 /nfs/dbraw/zinc/81/97/01/669819701.db2.gz NDMYDOBSZRGNMF-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001065271235 669819747 /nfs/dbraw/zinc/81/97/47/669819747.db2.gz NDMYDOBSZRGNMF-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO C[N@H+](CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1)C1CCC1 ZINC001065271718 669819715 /nfs/dbraw/zinc/81/97/15/669819715.db2.gz VWYZYPVDBNPRSZ-GFCCVEGCSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@H+](CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1)C1CCC1 ZINC001065271719 669819911 /nfs/dbraw/zinc/81/99/11/669819911.db2.gz VWYZYPVDBNPRSZ-LBPRGKRZSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065289336 669820733 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EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065295747 669825559 /nfs/dbraw/zinc/82/55/59/669825559.db2.gz LYEFPNYDJZTYGG-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065295748 669825507 /nfs/dbraw/zinc/82/55/07/669825507.db2.gz LYEFPNYDJZTYGG-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065295749 669825548 /nfs/dbraw/zinc/82/55/48/669825548.db2.gz LYEFPNYDJZTYGG-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065295750 669825403 /nfs/dbraw/zinc/82/54/03/669825403.db2.gz LYEFPNYDJZTYGG-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001065297992 669825540 /nfs/dbraw/zinc/82/55/40/669825540.db2.gz NZNFWBDETANAJP-GFCCVEGCSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001065297993 669825416 /nfs/dbraw/zinc/82/54/16/669825416.db2.gz NZNFWBDETANAJP-LBPRGKRZSA-N 1 0 338.408 -1.309 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001065300193 669825569 /nfs/dbraw/zinc/82/55/69/669825569.db2.gz CTRVDLNDDLZMTC-CHWSQXEVSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001065300194 669825268 /nfs/dbraw/zinc/82/52/68/669825268.db2.gz CTRVDLNDDLZMTC-QWHCGFSZSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001065300325 669825530 /nfs/dbraw/zinc/82/55/30/669825530.db2.gz GDYZGHKKLXAYSZ-NWDGAFQWSA-N 1 0 328.413 -1.194 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001065300326 669825635 /nfs/dbraw/zinc/82/56/35/669825635.db2.gz GDYZGHKKLXAYSZ-VXGBXAGGSA-N 1 0 328.413 -1.194 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001065300371 669826133 /nfs/dbraw/zinc/82/61/33/669826133.db2.gz GVBLYXQUSQQZIQ-NWDGAFQWSA-N 1 0 343.428 -1.271 20 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669826390 /nfs/dbraw/zinc/82/63/90/669826390.db2.gz HJEJQRJXCRHSPS-QJPTWQEYSA-N 1 0 343.428 -1.273 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1)[NH+](C)C ZINC001065300404 669826316 /nfs/dbraw/zinc/82/63/16/669826316.db2.gz HJEJQRJXCRHSPS-SDDRHHMPSA-N 1 0 343.428 -1.273 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1)[NH+](C)C ZINC001065300453 669826230 /nfs/dbraw/zinc/82/62/30/669826230.db2.gz IGKPMBIHGLPQFX-CHWSQXEVSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1)[NH+](C)C ZINC001065300454 669826456 /nfs/dbraw/zinc/82/64/56/669826456.db2.gz IGKPMBIHGLPQFX-QWHCGFSZSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001065300515 669826405 /nfs/dbraw/zinc/82/64/05/669826405.db2.gz JRBSSXHWPRQMQY-NWDGAFQWSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)Cn2ncnn2)C1)[NH+](C)C ZINC001065300516 669826102 /nfs/dbraw/zinc/82/61/02/669826102.db2.gz JRBSSXHWPRQMQY-VXGBXAGGSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001065300647 669826282 /nfs/dbraw/zinc/82/62/82/669826282.db2.gz MAPOHGNZEPZBQY-NWDGAFQWSA-N 1 0 349.453 -1.285 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001065300648 669826264 /nfs/dbraw/zinc/82/62/64/669826264.db2.gz MAPOHGNZEPZBQY-VXGBXAGGSA-N 1 0 349.453 -1.285 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001065300727 669826251 /nfs/dbraw/zinc/82/62/51/669826251.db2.gz NGXPJEQSYRWISC-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001065300728 669826057 /nfs/dbraw/zinc/82/60/57/669826057.db2.gz NGXPJEQSYRWISC-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1)[NH+](C)C ZINC001065301369 669826180 /nfs/dbraw/zinc/82/61/80/669826180.db2.gz RITRFRGCUQYGCO-CHWSQXEVSA-N 1 0 328.413 -1.194 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1)[NH+](C)C ZINC001065301370 669826066 /nfs/dbraw/zinc/82/60/66/669826066.db2.gz RITRFRGCUQYGCO-QWHCGFSZSA-N 1 0 328.413 -1.194 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001065302623 669826823 /nfs/dbraw/zinc/82/68/23/669826823.db2.gz ZBDIMNSXVUUCOV-NWDGAFQWSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)Cn2cnnn2)C1)[NH+](C)C ZINC001065302624 669827138 /nfs/dbraw/zinc/82/71/38/669827138.db2.gz ZBDIMNSXVUUCOV-VXGBXAGGSA-N 1 0 339.400 -1.643 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001065304946 669827707 /nfs/dbraw/zinc/82/77/07/669827707.db2.gz BTFSGZGDGNFVAZ-AWEZNQCLSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001065304947 669827462 /nfs/dbraw/zinc/82/74/62/669827462.db2.gz BTFSGZGDGNFVAZ-CQSZACIVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCO[C@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001065305060 669827657 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EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)CCCC(N)=O)CCO2)C1 ZINC001065306545 669828982 /nfs/dbraw/zinc/82/89/82/669828982.db2.gz QJZSUUMRLZKOOB-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)CCCC(N)=O)CCO2)C1 ZINC001065306546 669828973 /nfs/dbraw/zinc/82/89/73/669828973.db2.gz QJZSUUMRLZKOOB-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001065306555 669828714 /nfs/dbraw/zinc/82/87/14/669828714.db2.gz QNSLIPSGRNLDTQ-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001065306556 669829082 /nfs/dbraw/zinc/82/90/82/669829082.db2.gz QNSLIPSGRNLDTQ-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001065306960 669829476 /nfs/dbraw/zinc/82/94/76/669829476.db2.gz VEPFYMBGHTVOTC-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001065306963 669829492 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20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001065318922 669831018 /nfs/dbraw/zinc/83/10/18/669831018.db2.gz DGZCIKFQCKBEJP-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001065318923 669830993 /nfs/dbraw/zinc/83/09/93/669830993.db2.gz DGZCIKFQCKBEJP-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001065318924 669830968 /nfs/dbraw/zinc/83/09/68/669830968.db2.gz DGZCIKFQCKBEJP-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001065319223 669831683 /nfs/dbraw/zinc/83/16/83/669831683.db2.gz KTEAFCNYEOZPCS-NEPJUHHUSA-N 1 0 341.412 -1.517 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001065319224 669831865 /nfs/dbraw/zinc/83/18/65/669831865.db2.gz KTEAFCNYEOZPCS-NWDGAFQWSA-N 1 0 341.412 -1.517 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001065319225 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326.397 -1.310 20 0 EAADRO C[C@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001065319861 669831743 /nfs/dbraw/zinc/83/17/43/669831743.db2.gz YISQDVREACPUKG-NEPJUHHUSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001065319862 669831486 /nfs/dbraw/zinc/83/14/86/669831486.db2.gz YISQDVREACPUKG-NWDGAFQWSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001065319863 669831730 /nfs/dbraw/zinc/83/17/30/669831730.db2.gz YISQDVREACPUKG-RYUDHWBXSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001065319864 669831590 /nfs/dbraw/zinc/83/15/90/669831590.db2.gz YISQDVREACPUKG-VXGBXAGGSA-N 1 0 349.453 -1.285 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 ZINC001065322333 669832050 /nfs/dbraw/zinc/83/20/50/669832050.db2.gz UHGDAYOSVRBGPF-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 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C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)C1 ZINC001065372930 669842567 /nfs/dbraw/zinc/84/25/67/669842567.db2.gz CNLNVRBVMDJFBC-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 ZINC001065373153 669842589 /nfs/dbraw/zinc/84/25/89/669842589.db2.gz FDIISMHFCSGOFF-LLVKDONJSA-N 1 0 341.368 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001065373155 669842407 /nfs/dbraw/zinc/84/24/07/669842407.db2.gz FDIISMHFCSGOFF-NSHDSACASA-N 1 0 341.368 -1.395 20 0 EAADRO CCOCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCO1 ZINC001065373156 669842578 /nfs/dbraw/zinc/84/25/78/669842578.db2.gz FDUPJPHBNKTBLV-CYBMUJFWSA-N 1 0 331.413 -1.055 20 0 EAADRO CCOCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCO1 ZINC001065373158 669842608 /nfs/dbraw/zinc/84/26/08/669842608.db2.gz FDUPJPHBNKTBLV-ZDUSSCGKSA-N 1 0 331.413 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001065373168 669842629 /nfs/dbraw/zinc/84/26/29/669842629.db2.gz FKJNSWSPUYKNMI-KBPBESRZSA-N 1 0 343.424 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001065373169 669842683 /nfs/dbraw/zinc/84/26/83/669842683.db2.gz FKJNSWSPUYKNMI-KGLIPLIRSA-N 1 0 343.424 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001065373170 669842648 /nfs/dbraw/zinc/84/26/48/669842648.db2.gz FKJNSWSPUYKNMI-UONOGXRCSA-N 1 0 343.424 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001065373172 669842752 /nfs/dbraw/zinc/84/27/52/669842752.db2.gz FKJNSWSPUYKNMI-ZIAGYGMSSA-N 1 0 343.424 -1.055 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001065373258 669842518 /nfs/dbraw/zinc/84/25/18/669842518.db2.gz CTRVDLNDDLZMTC-OLZOCXBDSA-N 1 0 338.412 -1.038 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1)[NH+](C)C ZINC001065373260 669842611 /nfs/dbraw/zinc/84/26/11/669842611.db2.gz CTRVDLNDDLZMTC-STQMWFEESA-N 1 0 338.412 -1.038 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001065373391 669842448 /nfs/dbraw/zinc/84/24/48/669842448.db2.gz GJGSHHPYKSOUCW-LLVKDONJSA-N 1 0 340.384 -1.660 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001065373392 669842476 /nfs/dbraw/zinc/84/24/76/669842476.db2.gz GJGSHHPYKSOUCW-NSHDSACASA-N 1 0 340.384 -1.660 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001065373465 669842561 /nfs/dbraw/zinc/84/25/61/669842561.db2.gz HIPNGYZKVNFAJV-LLVKDONJSA-N 1 0 345.400 -2.424 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001065373467 669842492 /nfs/dbraw/zinc/84/24/92/669842492.db2.gz HIPNGYZKVNFAJV-NSHDSACASA-N 1 0 345.400 -2.424 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001065373545 669842634 /nfs/dbraw/zinc/84/26/34/669842634.db2.gz GDYZGHKKLXAYSZ-NEPJUHHUSA-N 1 0 328.413 -1.194 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1)[NH+](C)C ZINC001065373546 669842496 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EAADRO CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CCNC(N)=O)C1)[NH+](C)C ZINC001065373580 669843098 /nfs/dbraw/zinc/84/30/98/669843098.db2.gz GVBLYXQUSQQZIQ-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001065373711 669842969 /nfs/dbraw/zinc/84/29/69/669842969.db2.gz IFPYJNOJTACNRK-CYBMUJFWSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001065373712 669843165 /nfs/dbraw/zinc/84/31/65/669843165.db2.gz IFPYJNOJTACNRK-ZDUSSCGKSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001065373713 669843247 /nfs/dbraw/zinc/84/32/47/669843247.db2.gz IGDRYYMFELKSFE-GFCCVEGCSA-N 1 0 339.396 -1.055 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001065373714 669843220 /nfs/dbraw/zinc/84/32/20/669843220.db2.gz IGDRYYMFELKSFE-LBPRGKRZSA-N 1 0 339.396 -1.055 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1)[NH+](C)C ZINC001065373743 669843034 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ZINC001065374040 669843182 /nfs/dbraw/zinc/84/31/82/669843182.db2.gz JRBSSXHWPRQMQY-RYUDHWBXSA-N 1 0 339.400 -1.643 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001065374093 669843243 /nfs/dbraw/zinc/84/32/43/669843243.db2.gz KXRXJNVPJPIXOO-NEPJUHHUSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001065374094 669843171 /nfs/dbraw/zinc/84/31/71/669843171.db2.gz KXRXJNVPJPIXOO-NWDGAFQWSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001065374095 669843043 /nfs/dbraw/zinc/84/30/43/669843043.db2.gz KXRXJNVPJPIXOO-RYUDHWBXSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001065374096 669842980 /nfs/dbraw/zinc/84/29/80/669842980.db2.gz KXRXJNVPJPIXOO-VXGBXAGGSA-N 1 0 341.412 -1.660 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001065374269 669843255 /nfs/dbraw/zinc/84/32/55/669843255.db2.gz MAPOHGNZEPZBQY-NEPJUHHUSA-N 1 0 349.453 -1.285 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001065374270 669843025 /nfs/dbraw/zinc/84/30/25/669843025.db2.gz MAPOHGNZEPZBQY-RYUDHWBXSA-N 1 0 349.453 -1.285 20 0 EAADRO O=C(Cn1cncn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001065374275 669843055 /nfs/dbraw/zinc/84/30/55/669843055.db2.gz MGILXVFTJGTPLZ-CYBMUJFWSA-N 1 0 348.407 -1.283 20 0 EAADRO O=C(Cn1cncn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001065374276 669842932 /nfs/dbraw/zinc/84/29/32/669842932.db2.gz MGILXVFTJGTPLZ-ZDUSSCGKSA-N 1 0 348.407 -1.283 20 0 EAADRO COCCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCO1 ZINC001065374373 669843240 /nfs/dbraw/zinc/84/32/40/669843240.db2.gz OCKPOZHHZHDHEM-CYBMUJFWSA-N 1 0 331.413 -1.055 20 0 EAADRO COCCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCO1 ZINC001065374374 669843268 /nfs/dbraw/zinc/84/32/68/669843268.db2.gz OCKPOZHHZHDHEM-ZDUSSCGKSA-N 1 0 331.413 -1.055 20 0 EAADRO 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C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001065507924 669862594 /nfs/dbraw/zinc/86/25/94/669862594.db2.gz XEDXPCJEFHXNLP-LLVKDONJSA-N 1 0 341.368 -1.395 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001065507925 669862805 /nfs/dbraw/zinc/86/28/05/669862805.db2.gz XEDXPCJEFHXNLP-NSHDSACASA-N 1 0 341.368 -1.395 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001065518661 669861134 /nfs/dbraw/zinc/86/11/34/669861134.db2.gz BEGDOIADOQHFRD-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001065518662 669861166 /nfs/dbraw/zinc/86/11/66/669861166.db2.gz BEGDOIADOQHFRD-LBPRGKRZSA-N 1 0 326.397 -1.453 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001065519385 669861679 /nfs/dbraw/zinc/86/16/79/669861679.db2.gz LOFUYMCQECEAQH-CYBMUJFWSA-N 1 0 340.424 -1.063 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001065519386 669861524 /nfs/dbraw/zinc/86/15/24/669861524.db2.gz LOFUYMCQECEAQH-ZDUSSCGKSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001065519929 669861739 /nfs/dbraw/zinc/86/17/39/669861739.db2.gz QJQWOHQUIKTFBY-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001065519931 669861676 /nfs/dbraw/zinc/86/16/76/669861676.db2.gz QJQWOHQUIKTFBY-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001065530464 669865705 /nfs/dbraw/zinc/86/57/05/669865705.db2.gz PHMBGBNZLWBELV-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001065530465 669865827 /nfs/dbraw/zinc/86/58/27/669865827.db2.gz PHMBGBNZLWBELV-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001065531139 669865672 /nfs/dbraw/zinc/86/56/72/669865672.db2.gz YIAKNTFMZLVNOP-GFCCVEGCSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001065531140 669865756 /nfs/dbraw/zinc/86/57/56/669865756.db2.gz YIAKNTFMZLVNOP-LBPRGKRZSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001065534663 669866240 /nfs/dbraw/zinc/86/62/40/669866240.db2.gz AQBKEUMHBKFBJQ-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001065534664 669866026 /nfs/dbraw/zinc/86/60/26/669866026.db2.gz AQBKEUMHBKFBJQ-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001065534665 669866231 /nfs/dbraw/zinc/86/62/31/669866231.db2.gz AQBKEUMHBKFBJQ-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001065534666 669866040 /nfs/dbraw/zinc/86/60/40/669866040.db2.gz AQBKEUMHBKFBJQ-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001065534711 669866212 /nfs/dbraw/zinc/86/62/12/669866212.db2.gz BHWYLNMDKCFMDT-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001065534712 669866063 /nfs/dbraw/zinc/86/60/63/669866063.db2.gz BHWYLNMDKCFMDT-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001065534807 669866085 /nfs/dbraw/zinc/86/60/85/669866085.db2.gz DXPMKXDYXVJHCO-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001065534808 669866242 /nfs/dbraw/zinc/86/62/42/669866242.db2.gz DXPMKXDYXVJHCO-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001065534809 669866216 /nfs/dbraw/zinc/86/62/16/669866216.db2.gz DXPMKXDYXVJHCO-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001065534810 669866172 /nfs/dbraw/zinc/86/61/72/669866172.db2.gz DXPMKXDYXVJHCO-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001065534957 669866189 /nfs/dbraw/zinc/86/61/89/669866189.db2.gz HVAHDGVHMHETCY-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001065534958 669866124 /nfs/dbraw/zinc/86/61/24/669866124.db2.gz HVAHDGVHMHETCY-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001065534959 669866078 /nfs/dbraw/zinc/86/60/78/669866078.db2.gz HWLJSMUSYAAAKM-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001065534960 669866082 /nfs/dbraw/zinc/86/60/82/669866082.db2.gz HWLJSMUSYAAAKM-NSHDSACASA-N 1 0 329.401 -1.660 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065535589 669866048 /nfs/dbraw/zinc/86/60/48/669866048.db2.gz PDWLCVXAYGFMDU-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065535590 669866205 /nfs/dbraw/zinc/86/62/05/669866205.db2.gz PDWLCVXAYGFMDU-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001065535897 669866014 /nfs/dbraw/zinc/86/60/14/669866014.db2.gz CXWUYARHZKSLPK-GFCCVEGCSA-N 1 0 349.391 -1.177 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001065535899 669866150 /nfs/dbraw/zinc/86/61/50/669866150.db2.gz CXWUYARHZKSLPK-LBPRGKRZSA-N 1 0 349.391 -1.177 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCO[C@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001065536168 669866292 /nfs/dbraw/zinc/86/62/92/669866292.db2.gz DRNTVCKMFPMQCN-LLVKDONJSA-N 1 0 341.412 -1.660 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001065536170 669866235 /nfs/dbraw/zinc/86/62/35/669866235.db2.gz DRNTVCKMFPMQCN-NSHDSACASA-N 1 0 341.412 -1.660 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065536319 669866110 /nfs/dbraw/zinc/86/61/10/669866110.db2.gz WCGFXDAILAQEOH-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065536320 669866210 /nfs/dbraw/zinc/86/62/10/669866210.db2.gz WCGFXDAILAQEOH-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065536650 669866450 /nfs/dbraw/zinc/86/64/50/669866450.db2.gz ZJGARELKZINIKE-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065536653 669866563 /nfs/dbraw/zinc/86/65/63/669866563.db2.gz ZJGARELKZINIKE-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065536692 669866575 /nfs/dbraw/zinc/86/65/75/669866575.db2.gz GZPPVYNMOYHHQP-LLVKDONJSA-N 1 0 338.364 -1.216 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065536695 669866619 /nfs/dbraw/zinc/86/66/19/669866619.db2.gz GZPPVYNMOYHHQP-NSHDSACASA-N 1 0 338.364 -1.216 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001065537327 669866602 /nfs/dbraw/zinc/86/66/02/669866602.db2.gz NKRBUZMNMXSAEZ-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001065537328 669866674 /nfs/dbraw/zinc/86/66/74/669866674.db2.gz NKRBUZMNMXSAEZ-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001065537441 669866474 /nfs/dbraw/zinc/86/64/74/669866474.db2.gz PUSOMMRAYFBVGP-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001065537442 669866497 /nfs/dbraw/zinc/86/64/97/669866497.db2.gz PUSOMMRAYFBVGP-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001065537453 669866553 /nfs/dbraw/zinc/86/65/53/669866553.db2.gz QAGWRZMQYXLPTF-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001065537454 669866591 /nfs/dbraw/zinc/86/65/91/669866591.db2.gz QAGWRZMQYXLPTF-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001065537621 669866429 /nfs/dbraw/zinc/86/64/29/669866429.db2.gz UALZYQCIFATNOJ-LLVKDONJSA-N 1 0 337.380 -1.321 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001065537622 669866699 /nfs/dbraw/zinc/86/66/99/669866699.db2.gz UALZYQCIFATNOJ-NSHDSACASA-N 1 0 337.380 -1.321 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065539399 669866824 /nfs/dbraw/zinc/86/68/24/669866824.db2.gz AVPQLXIJVVLBSQ-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065539400 669866804 /nfs/dbraw/zinc/86/68/04/669866804.db2.gz AVPQLXIJVVLBSQ-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065539401 669867002 /nfs/dbraw/zinc/86/70/02/669867002.db2.gz AVPQLXIJVVLBSQ-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065539403 669866973 /nfs/dbraw/zinc/86/69/73/669866973.db2.gz AVPQLXIJVVLBSQ-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065539653 669866985 /nfs/dbraw/zinc/86/69/85/669866985.db2.gz FGYOHAUJMPMKOC-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065539655 669867046 /nfs/dbraw/zinc/86/70/46/669867046.db2.gz FGYOHAUJMPMKOC-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065539657 669866997 /nfs/dbraw/zinc/86/69/97/669866997.db2.gz FGYOHAUJMPMKOC-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065539658 669866975 /nfs/dbraw/zinc/86/69/75/669866975.db2.gz FGYOHAUJMPMKOC-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001065539845 669866837 /nfs/dbraw/zinc/86/68/37/669866837.db2.gz GTXNMGDPTGMENT-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001065539847 669867019 /nfs/dbraw/zinc/86/70/19/669867019.db2.gz GTXNMGDPTGMENT-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001065540008 669863510 /nfs/dbraw/zinc/86/35/10/669863510.db2.gz JOCWBXHUISIYBY-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001065540009 669863513 /nfs/dbraw/zinc/86/35/13/669863513.db2.gz JOCWBXHUISIYBY-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001065540026 669863446 /nfs/dbraw/zinc/86/34/46/669863446.db2.gz KEPREMKOGJIFIQ-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001065540027 669863325 /nfs/dbraw/zinc/86/33/25/669863325.db2.gz KEPREMKOGJIFIQ-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001065540058 669863339 /nfs/dbraw/zinc/86/33/39/669863339.db2.gz KWGUOYZGXYBHTG-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001065540059 669863417 /nfs/dbraw/zinc/86/34/17/669863417.db2.gz KWGUOYZGXYBHTG-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO Cn1nnc(C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCO2)n1 ZINC001065540066 669863425 /nfs/dbraw/zinc/86/34/25/669863425.db2.gz LAEZTKVFHBUOTO-LLVKDONJSA-N 1 0 339.400 -1.491 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCO2)n1 ZINC001065540067 669863361 /nfs/dbraw/zinc/86/33/61/669863361.db2.gz LAEZTKVFHBUOTO-NSHDSACASA-N 1 0 339.400 -1.491 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540108 669863467 /nfs/dbraw/zinc/86/34/67/669863467.db2.gz LUNWREWJFKUMIC-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540109 669863448 /nfs/dbraw/zinc/86/34/48/669863448.db2.gz LUNWREWJFKUMIC-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540110 669863504 /nfs/dbraw/zinc/86/35/04/669863504.db2.gz LUNWREWJFKUMIC-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540111 669863809 /nfs/dbraw/zinc/86/38/09/669863809.db2.gz LUNWREWJFKUMIC-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540232 669863830 /nfs/dbraw/zinc/86/38/30/669863830.db2.gz OWFRYYQJAHQEAJ-NEPJUHHUSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540233 669863967 /nfs/dbraw/zinc/86/39/67/669863967.db2.gz OWFRYYQJAHQEAJ-NWDGAFQWSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540234 669863849 /nfs/dbraw/zinc/86/38/49/669863849.db2.gz OWFRYYQJAHQEAJ-RYUDHWBXSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540235 669863840 /nfs/dbraw/zinc/86/38/40/669863840.db2.gz OWFRYYQJAHQEAJ-VXGBXAGGSA-N 1 0 339.396 -1.893 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540362 669863732 /nfs/dbraw/zinc/86/37/32/669863732.db2.gz BUUBFWZOISDPPE-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540363 669863817 /nfs/dbraw/zinc/86/38/17/669863817.db2.gz BUUBFWZOISDPPE-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540364 669863876 /nfs/dbraw/zinc/86/38/76/669863876.db2.gz BUUBFWZOISDPPE-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540365 669863862 /nfs/dbraw/zinc/86/38/62/669863862.db2.gz BUUBFWZOISDPPE-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001065540396 669863938 /nfs/dbraw/zinc/86/39/38/669863938.db2.gz QPMDPYANCSATOM-UPJWGTAASA-N 1 0 340.424 -1.207 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001065540397 669864055 /nfs/dbraw/zinc/86/40/55/669864055.db2.gz QPMDPYANCSATOM-XQQFMLRXSA-N 1 0 340.424 -1.207 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540424 669864009 /nfs/dbraw/zinc/86/40/09/669864009.db2.gz RNPPXMNIEVOYGO-GHMZBOCLSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540425 669864284 /nfs/dbraw/zinc/86/42/84/669864284.db2.gz RNPPXMNIEVOYGO-MNOVXSKESA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065540426 669864270 /nfs/dbraw/zinc/86/42/70/669864270.db2.gz RNPPXMNIEVOYGO-QWRGUYRKSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065540427 669864512 /nfs/dbraw/zinc/86/45/12/669864512.db2.gz RNPPXMNIEVOYGO-WDEREUQCSA-N 1 0 327.385 -2.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001065540434 669864342 /nfs/dbraw/zinc/86/43/42/669864342.db2.gz RRRJEESPRSRGNK-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001065540435 669864289 /nfs/dbraw/zinc/86/42/89/669864289.db2.gz RRRJEESPRSRGNK-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001065540436 669864444 /nfs/dbraw/zinc/86/44/44/669864444.db2.gz RRRJEESPRSRGNK-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001065540437 669864548 /nfs/dbraw/zinc/86/45/48/669864548.db2.gz RRRJEESPRSRGNK-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001065540462 669864403 /nfs/dbraw/zinc/86/44/03/669864403.db2.gz SHYVFOXYCLTNKK-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001065540463 669864936 /nfs/dbraw/zinc/86/49/36/669864936.db2.gz SHYVFOXYCLTNKK-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001065540464 669864962 /nfs/dbraw/zinc/86/49/62/669864962.db2.gz SHYVFOXYCLTNKK-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001065540465 669864736 /nfs/dbraw/zinc/86/47/36/669864736.db2.gz SHYVFOXYCLTNKK-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065541150 669872391 /nfs/dbraw/zinc/87/23/91/669872391.db2.gz ZAMSCVSIFBDRFV-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001065541152 669872418 /nfs/dbraw/zinc/87/24/18/669872418.db2.gz ZAMSCVSIFBDRFV-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001065541159 669872302 /nfs/dbraw/zinc/87/23/02/669872302.db2.gz ZGRDCKPQZGYZGA-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001065541161 669872504 /nfs/dbraw/zinc/87/25/04/669872504.db2.gz ZGRDCKPQZGYZGA-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065541760 669872367 /nfs/dbraw/zinc/87/23/67/669872367.db2.gz XGTPXJWZDJOBIN-NEPJUHHUSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065541761 669872259 /nfs/dbraw/zinc/87/22/59/669872259.db2.gz XGTPXJWZDJOBIN-NWDGAFQWSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001065541762 669872514 /nfs/dbraw/zinc/87/25/14/669872514.db2.gz XGTPXJWZDJOBIN-RYUDHWBXSA-N 1 0 341.412 -1.648 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001065541763 669872290 /nfs/dbraw/zinc/87/22/90/669872290.db2.gz XGTPXJWZDJOBIN-VXGBXAGGSA-N 1 0 341.412 -1.648 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065543756 669872480 /nfs/dbraw/zinc/87/24/80/669872480.db2.gz FARCJVOBYVSEAI-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065543757 669872445 /nfs/dbraw/zinc/87/24/45/669872445.db2.gz FARCJVOBYVSEAI-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544148 669872740 /nfs/dbraw/zinc/87/27/40/669872740.db2.gz MPJOPGHEBAHXJZ-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544149 669872880 /nfs/dbraw/zinc/87/28/80/669872880.db2.gz MPJOPGHEBAHXJZ-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544288 669872864 /nfs/dbraw/zinc/87/28/64/669872864.db2.gz PRWADDAIKFMFED-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544289 669872904 /nfs/dbraw/zinc/87/29/04/669872904.db2.gz PRWADDAIKFMFED-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544504 669872924 /nfs/dbraw/zinc/87/29/24/669872924.db2.gz ULYWOCCBARFSGU-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544505 669872872 /nfs/dbraw/zinc/87/28/72/669872872.db2.gz ULYWOCCBARFSGU-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544578 669872930 /nfs/dbraw/zinc/87/29/30/669872930.db2.gz VZSLZQHAGQDYNZ-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065544579 669872810 /nfs/dbraw/zinc/87/28/10/669872810.db2.gz VZSLZQHAGQDYNZ-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1)[NH+](C)C ZINC001065544688 669872892 /nfs/dbraw/zinc/87/28/92/669872892.db2.gz YUJMZLSAJUBDRB-NEPJUHHUSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@H](C(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1)[NH+](C)C ZINC001065544689 669872899 /nfs/dbraw/zinc/87/28/99/669872899.db2.gz YUJMZLSAJUBDRB-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1)[NH+](C)C ZINC001065544690 669872792 /nfs/dbraw/zinc/87/27/92/669872792.db2.gz YUJMZLSAJUBDRB-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1)[NH+](C)C ZINC001065544691 669872920 /nfs/dbraw/zinc/87/29/20/669872920.db2.gz YUJMZLSAJUBDRB-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO C[N@H+](CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)CC(C)(C)C ZINC001065550065 669867471 /nfs/dbraw/zinc/86/74/71/669867471.db2.gz DHVKBIFSWYNNGV-LLVKDONJSA-N 1 0 328.413 -1.207 20 0 EAADRO C[N@H+](CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)CC(C)(C)C ZINC001065550066 669867189 /nfs/dbraw/zinc/86/71/89/669867189.db2.gz DHVKBIFSWYNNGV-NSHDSACASA-N 1 0 328.413 -1.207 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CC1 ZINC001065550253 669867842 /nfs/dbraw/zinc/86/78/42/669867842.db2.gz HUCBVLFKIGBBAT-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CC1 ZINC001065550254 669867820 /nfs/dbraw/zinc/86/78/20/669867820.db2.gz HUCBVLFKIGBBAT-LBPRGKRZSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065550719 669867826 /nfs/dbraw/zinc/86/78/26/669867826.db2.gz MIPVGSHDWQDFMH-GFCCVEGCSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001065550720 669867758 /nfs/dbraw/zinc/86/77/58/669867758.db2.gz MIPVGSHDWQDFMH-LBPRGKRZSA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)[NH+](CC)CC ZINC001065550781 669868276 /nfs/dbraw/zinc/86/82/76/669868276.db2.gz NLMKBKHFSKZAEG-NEPJUHHUSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@H](C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)[NH+](CC)CC ZINC001065550782 669868119 /nfs/dbraw/zinc/86/81/19/669868119.db2.gz NLMKBKHFSKZAEG-NWDGAFQWSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)[NH+](CC)CC ZINC001065550783 669868022 /nfs/dbraw/zinc/86/80/22/669868022.db2.gz NLMKBKHFSKZAEG-RYUDHWBXSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)[NH+](CC)CC ZINC001065550784 669868279 /nfs/dbraw/zinc/86/82/79/669868279.db2.gz NLMKBKHFSKZAEG-VXGBXAGGSA-N 1 0 328.413 -1.064 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065551399 669868043 /nfs/dbraw/zinc/86/80/43/669868043.db2.gz UPFONONHNYCZOD-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065551400 669868229 /nfs/dbraw/zinc/86/82/29/669868229.db2.gz UPFONONHNYCZOD-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065551479 669868172 /nfs/dbraw/zinc/86/81/72/669868172.db2.gz VZJDCZYJNJPCAS-GHMZBOCLSA-N 1 0 332.376 -1.505 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065551480 669868285 /nfs/dbraw/zinc/86/82/85/669868285.db2.gz VZJDCZYJNJPCAS-MNOVXSKESA-N 1 0 332.376 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/nfs/dbraw/zinc/86/85/20/669868520.db2.gz ZHFRMRYBVKESJZ-LBPRGKRZSA-N 1 0 342.396 -2.074 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001065551949 669868820 /nfs/dbraw/zinc/86/88/20/669868820.db2.gz DCCSTQSTWKVDMZ-CHWSQXEVSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001065551950 669869085 /nfs/dbraw/zinc/86/90/85/669869085.db2.gz DCCSTQSTWKVDMZ-OLZOCXBDSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001065551951 669868945 /nfs/dbraw/zinc/86/89/45/669868945.db2.gz DCCSTQSTWKVDMZ-QWHCGFSZSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001065551952 669869092 /nfs/dbraw/zinc/86/90/92/669869092.db2.gz DCCSTQSTWKVDMZ-STQMWFEESA-N 1 0 338.408 -1.310 20 0 EAADRO CN(CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)c1cc[nH+]cc1 ZINC001065552014 669869046 /nfs/dbraw/zinc/86/90/46/669869046.db2.gz DVHNBNYYGCZDCA-CYBMUJFWSA-N 1 0 349.391 -1.263 20 0 EAADRO CN(CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)c1cc[nH+]cc1 ZINC001065552015 669869029 /nfs/dbraw/zinc/86/90/29/669869029.db2.gz DVHNBNYYGCZDCA-ZDUSSCGKSA-N 1 0 349.391 -1.263 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001065552284 669868925 /nfs/dbraw/zinc/86/89/25/669868925.db2.gz IISZNTVHOURATK-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001065552285 669869081 /nfs/dbraw/zinc/86/90/81/669869081.db2.gz IISZNTVHOURATK-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)[NH+]1CCCC1 ZINC001065552980 669870056 /nfs/dbraw/zinc/87/00/56/669870056.db2.gz RSWQCLWCRUCSIC-CHWSQXEVSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)[NH+]1CCCC1 ZINC001065552981 669870172 /nfs/dbraw/zinc/87/01/72/669870172.db2.gz RSWQCLWCRUCSIC-OLZOCXBDSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)[NH+]1CCCC1 ZINC001065552982 669870101 /nfs/dbraw/zinc/87/01/01/669870101.db2.gz RSWQCLWCRUCSIC-QWHCGFSZSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)[NH+]1CCCC1 ZINC001065552983 669870322 /nfs/dbraw/zinc/87/03/22/669870322.db2.gz RSWQCLWCRUCSIC-STQMWFEESA-N 1 0 340.424 -1.064 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001065553161 669870251 /nfs/dbraw/zinc/87/02/51/669870251.db2.gz WBDBTSWPCWIIBI-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001065553162 669870139 /nfs/dbraw/zinc/87/01/39/669870139.db2.gz WBDBTSWPCWIIBI-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065553389 669870466 /nfs/dbraw/zinc/87/04/66/669870466.db2.gz YRLXTFDUOWRVGD-NEPJUHHUSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065553390 669870477 /nfs/dbraw/zinc/87/04/77/669870477.db2.gz YRLXTFDUOWRVGD-NWDGAFQWSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065553391 669870486 /nfs/dbraw/zinc/87/04/86/669870486.db2.gz YRLXTFDUOWRVGD-RYUDHWBXSA-N 1 0 342.396 -2.216 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065553392 669870570 /nfs/dbraw/zinc/87/05/70/669870570.db2.gz YRLXTFDUOWRVGD-VXGBXAGGSA-N 1 0 342.396 -2.216 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CC1 ZINC001065553413 669870492 /nfs/dbraw/zinc/87/04/92/669870492.db2.gz ZCAWKCNUIVNIEV-GFCCVEGCSA-N 1 0 326.397 -1.453 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CC1 ZINC001065553414 669870575 /nfs/dbraw/zinc/87/05/75/669870575.db2.gz ZCAWKCNUIVNIEV-LBPRGKRZSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(C)(C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)[NH+]1CCCC1 ZINC001065555375 669870936 /nfs/dbraw/zinc/87/09/36/669870936.db2.gz JKXIQDRGKRLWBN-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC(C)(C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)[NH+]1CCCC1 ZINC001065555377 669870940 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CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065570205 669875820 /nfs/dbraw/zinc/87/58/20/669875820.db2.gz INPOJSVIMXMYOZ-AAEUAGOBSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065570206 669875845 /nfs/dbraw/zinc/87/58/45/669875845.db2.gz INPOJSVIMXMYOZ-DGCLKSJQSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065570207 669875752 /nfs/dbraw/zinc/87/57/52/669875752.db2.gz INPOJSVIMXMYOZ-WCQYABFASA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065570208 669875765 /nfs/dbraw/zinc/87/57/65/669875765.db2.gz INPOJSVIMXMYOZ-YPMHNXCESA-N 1 0 328.413 -1.194 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001065570277 669875780 /nfs/dbraw/zinc/87/57/80/669875780.db2.gz KGDBUNDLDHHAIE-LLVKDONJSA-N 1 0 335.426 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001065570278 669875838 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C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001065570830 669875886 /nfs/dbraw/zinc/87/58/86/669875886.db2.gz ROGUHDCOVLBAMH-OLZOCXBDSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001065570831 669876305 /nfs/dbraw/zinc/87/63/05/669876305.db2.gz ROGUHDCOVLBAMH-QWHCGFSZSA-N 1 0 329.397 -1.303 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001065570832 669876381 /nfs/dbraw/zinc/87/63/81/669876381.db2.gz ROGUHDCOVLBAMH-STQMWFEESA-N 1 0 329.397 -1.303 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065571130 669876364 /nfs/dbraw/zinc/87/63/64/669876364.db2.gz VCPARLQNUYHYKA-LLVKDONJSA-N 1 0 330.385 -1.362 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065571131 669876403 /nfs/dbraw/zinc/87/64/03/669876403.db2.gz VCPARLQNUYHYKA-NSHDSACASA-N 1 0 330.385 -1.362 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)CN2CCCC2=O)C1 ZINC001065571152 669876342 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C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001065571745 669873340 /nfs/dbraw/zinc/87/33/40/669873340.db2.gz BBPUJXIEKZJDQO-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001065571746 669873147 /nfs/dbraw/zinc/87/31/47/669873147.db2.gz BBPUJXIEKZJDQO-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)[nH]1 ZINC001065571749 669873371 /nfs/dbraw/zinc/87/33/71/669873371.db2.gz BDPSMDATXWQYDH-GFCCVEGCSA-N 1 0 338.412 -1.049 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)[nH]1 ZINC001065571750 669873243 /nfs/dbraw/zinc/87/32/43/669873243.db2.gz BDPSMDATXWQYDH-LBPRGKRZSA-N 1 0 338.412 -1.049 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001065571844 669873202 /nfs/dbraw/zinc/87/32/02/669873202.db2.gz CKCPRVAXJGXCNT-NEPJUHHUSA-N 1 0 326.397 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001065571845 669873266 /nfs/dbraw/zinc/87/32/66/669873266.db2.gz CKCPRVAXJGXCNT-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO Cn1oc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)cc1=O ZINC001065571860 669873402 /nfs/dbraw/zinc/87/34/02/669873402.db2.gz CQQASWQTNKVRSG-LLVKDONJSA-N 1 0 340.380 -1.113 20 0 EAADRO Cn1oc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)cc1=O ZINC001065571861 669873168 /nfs/dbraw/zinc/87/31/68/669873168.db2.gz CQQASWQTNKVRSG-NSHDSACASA-N 1 0 340.380 -1.113 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001065571920 669873327 /nfs/dbraw/zinc/87/33/27/669873327.db2.gz FIQLFSWCEKRNTQ-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001065571921 669873252 /nfs/dbraw/zinc/87/32/52/669873252.db2.gz FIQLFSWCEKRNTQ-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001065571922 669873297 /nfs/dbraw/zinc/87/32/97/669873297.db2.gz FIQLFSWCEKRNTQ-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001065571923 669873109 /nfs/dbraw/zinc/87/31/09/669873109.db2.gz FIQLFSWCEKRNTQ-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1 ZINC001065572020 669873128 /nfs/dbraw/zinc/87/31/28/669873128.db2.gz HEONPNCTMLSSRX-AWEZNQCLSA-N 1 0 340.424 -1.240 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1 ZINC001065572021 669873214 /nfs/dbraw/zinc/87/32/14/669873214.db2.gz HEONPNCTMLSSRX-CQSZACIVSA-N 1 0 340.424 -1.240 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001065572154 669873119 /nfs/dbraw/zinc/87/31/19/669873119.db2.gz JWXXIBCCDQJUKX-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001065572155 669873173 /nfs/dbraw/zinc/87/31/73/669873173.db2.gz JWXXIBCCDQJUKX-ZDUSSCGKSA-N 1 0 340.424 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001065572164 669873271 /nfs/dbraw/zinc/87/32/71/669873271.db2.gz KJGYNLVZQAYMOJ-GFCCVEGCSA-N 1 0 347.437 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001065572165 669873390 /nfs/dbraw/zinc/87/33/90/669873390.db2.gz KJGYNLVZQAYMOJ-LBPRGKRZSA-N 1 0 347.437 -1.674 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)CCn2ccnn2)C1 ZINC001065572234 669873803 /nfs/dbraw/zinc/87/38/03/669873803.db2.gz LROPTLQRGYLQEJ-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)CCn2ccnn2)C1 ZINC001065572235 669873736 /nfs/dbraw/zinc/87/37/36/669873736.db2.gz LROPTLQRGYLQEJ-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572246 669873650 /nfs/dbraw/zinc/87/36/50/669873650.db2.gz MBNNULJXCQGTCL-QWRGUYRKSA-N 1 0 329.401 -1.662 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572247 669873525 /nfs/dbraw/zinc/87/35/25/669873525.db2.gz MBNNULJXCQGTCL-WDEREUQCSA-N 1 0 329.401 -1.662 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)c1N ZINC001065572280 669873643 /nfs/dbraw/zinc/87/36/43/669873643.db2.gz NIIYGNSYMOHQMT-LLVKDONJSA-N 1 0 338.412 -1.089 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)c1N ZINC001065572281 669873552 /nfs/dbraw/zinc/87/35/52/669873552.db2.gz NIIYGNSYMOHQMT-NSHDSACASA-N 1 0 338.412 -1.089 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572282 669873797 /nfs/dbraw/zinc/87/37/97/669873797.db2.gz NIRXRDUJJAATLS-GFCCVEGCSA-N 1 0 343.428 -1.399 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572283 669873620 /nfs/dbraw/zinc/87/36/20/669873620.db2.gz NIRXRDUJJAATLS-LBPRGKRZSA-N 1 0 343.428 -1.399 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001065572474 669873544 /nfs/dbraw/zinc/87/35/44/669873544.db2.gz RJRTYXSUJULHBC-AWEZNQCLSA-N 1 0 342.440 -1.386 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001065572475 669873715 /nfs/dbraw/zinc/87/37/15/669873715.db2.gz RJRTYXSUJULHBC-CQSZACIVSA-N 1 0 342.440 -1.386 20 0 EAADRO CN1CCOC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572494 669873596 /nfs/dbraw/zinc/87/35/96/669873596.db2.gz RNNJUONYGKFYID-KBPBESRZSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCOC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572495 669873799 /nfs/dbraw/zinc/87/37/99/669873799.db2.gz RNNJUONYGKFYID-KGLIPLIRSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572496 669873779 /nfs/dbraw/zinc/87/37/79/669873779.db2.gz RNNJUONYGKFYID-UONOGXRCSA-N 1 0 342.440 -1.388 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572497 669873793 /nfs/dbraw/zinc/87/37/93/669873793.db2.gz RNNJUONYGKFYID-ZIAGYGMSSA-N 1 0 342.440 -1.388 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001065572586 669873663 /nfs/dbraw/zinc/87/36/63/669873663.db2.gz UCXQOYUPGIGAJC-LLVKDONJSA-N 1 0 340.384 -1.721 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001065572587 669873726 /nfs/dbraw/zinc/87/37/26/669873726.db2.gz UCXQOYUPGIGAJC-NSHDSACASA-N 1 0 340.384 -1.721 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001065572706 669873771 /nfs/dbraw/zinc/87/37/71/669873771.db2.gz VSRFHTGSHQVPBV-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001065572707 669873587 /nfs/dbraw/zinc/87/35/87/669873587.db2.gz VSRFHTGSHQVPBV-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572742 669873487 /nfs/dbraw/zinc/87/34/87/669873487.db2.gz WNWQGOGWNWPMJD-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572743 669873789 /nfs/dbraw/zinc/87/37/89/669873789.db2.gz WNWQGOGWNWPMJD-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO C[C@H](CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)NC(N)=O ZINC001065572824 669873636 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EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001065712919 669896962 /nfs/dbraw/zinc/89/69/62/669896962.db2.gz IDWZFGNRWIJLLF-CYBMUJFWSA-N 1 0 339.440 -1.441 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001065712920 669896914 /nfs/dbraw/zinc/89/69/14/669896914.db2.gz IDWZFGNRWIJLLF-ZDUSSCGKSA-N 1 0 339.440 -1.441 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001065713091 669897076 /nfs/dbraw/zinc/89/70/76/669897076.db2.gz LOQAFRYQHWGIJL-CYBMUJFWSA-N 1 0 339.440 -1.441 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001065713092 669896930 /nfs/dbraw/zinc/89/69/30/669896930.db2.gz LOQAFRYQHWGIJL-ZDUSSCGKSA-N 1 0 339.440 -1.441 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001065713451 669896896 /nfs/dbraw/zinc/89/68/96/669896896.db2.gz SZGZEIHAIJWRAO-CYBMUJFWSA-N 1 0 339.440 -1.441 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001065713452 669896991 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EAADRO C[NH+](C)CCCCC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068420063 673079336 /nfs/dbraw/zinc/07/93/36/673079336.db2.gz BCXALJRLAOKCKW-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068420299 673079896 /nfs/dbraw/zinc/07/98/96/673079896.db2.gz LRAUROQJFXBQFD-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001068420345 673080076 /nfs/dbraw/zinc/08/00/76/673080076.db2.gz MWMZXLJENVQIRV-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068420411 673080032 /nfs/dbraw/zinc/08/00/32/673080032.db2.gz PEMXTVYKPIDLDB-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CC(=O)NC)C2)C1 ZINC001068420779 673080019 /nfs/dbraw/zinc/08/00/19/673080019.db2.gz VLVGGSCOCQRTEA-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 ZINC001068421458 673080549 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EAADRO C[NH+](C)CCCC(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068445406 673082071 /nfs/dbraw/zinc/08/20/71/673082071.db2.gz FBKPPDZVOBDTAF-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001068445859 673082124 /nfs/dbraw/zinc/08/21/24/673082124.db2.gz KEPIEDNYGRJSHV-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCOC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068445876 673082232 /nfs/dbraw/zinc/08/22/32/673082232.db2.gz KQTJNTVGEGPYPL-UHFFFAOYSA-N 1 0 341.412 -1.564 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCOC3(CN(C(=O)CC(N)=O)C3)C2)CC1 ZINC001068445880 673082066 /nfs/dbraw/zinc/08/20/66/673082066.db2.gz LBMVUPFUPINGIV-UHFFFAOYSA-N 1 0 338.408 -1.357 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001068446063 673082081 /nfs/dbraw/zinc/08/20/81/673082081.db2.gz OZDXCVNGJQDKBZ-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC001068446187 673082084 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NC(=O)C(=O)N1CCOC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001068448186 673082630 /nfs/dbraw/zinc/08/26/30/673082630.db2.gz FIESOTXGOOJJSP-UHFFFAOYSA-N 1 0 338.408 -1.213 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001068448206 673082574 /nfs/dbraw/zinc/08/25/74/673082574.db2.gz FVOICHOWGVNGNX-UHFFFAOYSA-N 1 0 326.397 -1.358 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001068448481 673083033 /nfs/dbraw/zinc/08/30/33/673083033.db2.gz KRAZUPLXRQUWGV-LLVKDONJSA-N 1 0 344.387 -1.409 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001068448482 673082969 /nfs/dbraw/zinc/08/29/69/673082969.db2.gz KRAZUPLXRQUWGV-NSHDSACASA-N 1 0 344.387 -1.409 20 0 EAADRO C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2)CC(C)(C)C ZINC001068448633 673082993 /nfs/dbraw/zinc/08/29/93/673082993.db2.gz PUFBETMIHSMFIF-UHFFFAOYSA-N 1 0 340.424 -1.111 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068452793 673083399 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C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001068453887 673083206 /nfs/dbraw/zinc/08/32/06/673083206.db2.gz DMQINEDYEBEMIZ-ZDUSSCGKSA-N 1 0 341.408 -1.207 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068453926 673083227 /nfs/dbraw/zinc/08/32/27/673083227.db2.gz FGXJHTBZHXSNIU-GFCCVEGCSA-N 1 0 340.424 -1.111 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068453927 673083382 /nfs/dbraw/zinc/08/33/82/673083382.db2.gz FGXJHTBZHXSNIU-LBPRGKRZSA-N 1 0 340.424 -1.111 20 0 EAADRO CCC(=O)NCC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068454201 673083135 /nfs/dbraw/zinc/08/31/35/673083135.db2.gz JLWWDLVUDQGWRR-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO CNC(=O)NCC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068454250 673083291 /nfs/dbraw/zinc/08/32/91/673083291.db2.gz LPQIJWJSSQLUKH-UHFFFAOYSA-N 1 0 341.412 -1.693 20 0 EAADRO COC(=O)NCC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068454355 673083368 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C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001068454829 673083261 /nfs/dbraw/zinc/08/32/61/673083261.db2.gz ZTIYQKMTEOZVMP-GFCCVEGCSA-N 1 0 338.408 -1.344 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001068455670 673083359 /nfs/dbraw/zinc/08/33/59/673083359.db2.gz BCXUKQQRVLHHJJ-LLVKDONJSA-N 1 0 340.380 -1.514 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001068455671 673083165 /nfs/dbraw/zinc/08/31/65/673083165.db2.gz BCXUKQQRVLHHJJ-NSHDSACASA-N 1 0 340.380 -1.514 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001068455692 673083180 /nfs/dbraw/zinc/08/31/80/673083180.db2.gz CFXIGXQOQFMTLJ-UHFFFAOYSA-N 1 0 336.396 -1.261 20 0 EAADRO Cn1ncc(C(=O)N2CC3(C2)CN(C(=O)CC[NH+](C)C)CCO3)n1 ZINC001068455778 673083533 /nfs/dbraw/zinc/08/35/33/673083533.db2.gz FIFJWPJGMQSJIY-UHFFFAOYSA-N 1 0 336.396 -1.180 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001068455815 673083801 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Cn1nncc1C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456000 673083669 /nfs/dbraw/zinc/08/36/69/673083669.db2.gz KOMHIEUHVUSSCW-UHFFFAOYSA-N 1 0 336.396 -1.180 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001068456265 673083750 /nfs/dbraw/zinc/08/37/50/673083750.db2.gz MPSSJXRKEXEFFT-UHFFFAOYSA-N 1 0 338.408 -1.357 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001068456274 673083624 /nfs/dbraw/zinc/08/36/24/673083624.db2.gz MVJLZGNIXNGAHC-UHFFFAOYSA-N 1 0 336.396 -1.330 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001068456296 673083604 /nfs/dbraw/zinc/08/36/04/673083604.db2.gz NJPLTYCUIYETGZ-NEPJUHHUSA-N 1 0 338.408 -1.501 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456458 673083656 /nfs/dbraw/zinc/08/36/56/673083656.db2.gz QAVZTDPOHMOGPO-NSHDSACASA-N 1 0 341.412 -1.565 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CN(C(=O)CC[NH+](C)C)CCO3)nn1 ZINC001068456491 673083764 /nfs/dbraw/zinc/08/37/64/673083764.db2.gz RQNWGQRAEYDMOJ-UHFFFAOYSA-N 1 0 336.396 -1.180 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001068456558 673083714 /nfs/dbraw/zinc/08/37/14/673083714.db2.gz UFMDZLHPZHNUKV-UHFFFAOYSA-N 1 0 336.396 -1.330 20 0 EAADRO CCNC(=O)CC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456562 673083698 /nfs/dbraw/zinc/08/36/98/673083698.db2.gz UGZHYQQCCOZHMQ-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456612 673083709 /nfs/dbraw/zinc/08/37/09/673083709.db2.gz VHWFZVVEEIRKME-UHFFFAOYSA-N 1 0 326.397 -1.486 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001068456625 673083520 /nfs/dbraw/zinc/08/35/20/673083520.db2.gz WDGFURKKVVWOAP-UHFFFAOYSA-N 1 0 340.424 -1.111 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456752 673083786 /nfs/dbraw/zinc/08/37/86/673083786.db2.gz XYZGQBXHRFUNOO-UHFFFAOYSA-N 1 0 340.424 -1.144 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001068456820 673083770 /nfs/dbraw/zinc/08/37/70/673083770.db2.gz ZTIYQKMTEOZVMP-LBPRGKRZSA-N 1 0 338.408 -1.344 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068461545 673083569 /nfs/dbraw/zinc/08/35/69/673083569.db2.gz BKDGYBLWKQGJGH-UHFFFAOYSA-N 1 0 341.412 -1.564 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068461603 673083740 /nfs/dbraw/zinc/08/37/40/673083740.db2.gz RSILLMRNKGGXAU-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CC(=O)NC)C2)C1 ZINC001068461649 673083633 /nfs/dbraw/zinc/08/36/33/673083633.db2.gz SHNAYBUWXCTBKZ-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001068462807 673083701 /nfs/dbraw/zinc/08/37/01/673083701.db2.gz VXTKXRSUAHOHQA-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 ZINC001068463378 673083504 /nfs/dbraw/zinc/08/35/04/673083504.db2.gz DLRADOXWXLNTNA-NEPJUHHUSA-N 1 0 338.408 -1.501 20 0 EAADRO C[N@H+](CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1)CC(C)(C)C ZINC001068465187 673084074 /nfs/dbraw/zinc/08/40/74/673084074.db2.gz QMILYBIWVFGJSC-UHFFFAOYSA-N 1 0 340.424 -1.111 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)Cc1nnc[nH]1)CCO2 ZINC001068466739 673084058 /nfs/dbraw/zinc/08/40/58/673084058.db2.gz SGOBZPXVXYMZPL-UHFFFAOYSA-N 1 0 336.396 -1.261 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)Cn1cncn1)CCO2 ZINC001068466817 673084105 /nfs/dbraw/zinc/08/41/05/673084105.db2.gz UHTUKCITVKDSKW-UHFFFAOYSA-N 1 0 336.396 -1.330 20 0 EAADRO CC(=O)NCC(=O)NC[C@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001068495309 673085880 /nfs/dbraw/zinc/08/58/80/673085880.db2.gz BLOCFVGVUDLEGX-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)NC[C@@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001068495314 673085614 /nfs/dbraw/zinc/08/56/14/673085614.db2.gz BLOCFVGVUDLEGX-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)CNC(N)=O)O2 ZINC001068508759 673087178 /nfs/dbraw/zinc/08/71/78/673087178.db2.gz GXTAUACWDKNFCH-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)CNC(N)=O)O2 ZINC001068508760 673087300 /nfs/dbraw/zinc/08/73/00/673087300.db2.gz GXTAUACWDKNFCH-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)CC(N)=O)O3)C1 ZINC001068543520 673088748 /nfs/dbraw/zinc/08/87/48/673088748.db2.gz LJJQBCBKUPHJGD-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)CC(N)=O)O3)C1 ZINC001068543521 673088697 /nfs/dbraw/zinc/08/86/97/673088697.db2.gz LJJQBCBKUPHJGD-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)CC(N)=O)O3)C1 ZINC001068543522 673088777 /nfs/dbraw/zinc/08/87/77/673088777.db2.gz LJJQBCBKUPHJGD-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)CC(N)=O)O3)C1 ZINC001068543523 673088650 /nfs/dbraw/zinc/08/86/50/673088650.db2.gz LJJQBCBKUPHJGD-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001068544160 673089334 /nfs/dbraw/zinc/08/93/34/673089334.db2.gz YYDRDSATULUKAY-GFCCVEGCSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001068544161 673089084 /nfs/dbraw/zinc/08/90/84/673089084.db2.gz YYDRDSATULUKAY-LBPRGKRZSA-N 1 0 338.408 -1.166 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)CC(N)=O)O2 ZINC001068544192 673089228 /nfs/dbraw/zinc/08/92/28/673089228.db2.gz ZRQROWGOBOOHIO-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC(N)=O)O2 ZINC001068544193 673089400 /nfs/dbraw/zinc/08/94/00/673089400.db2.gz ZRQROWGOBOOHIO-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC(N)=O)O2 ZINC001068544194 673089270 /nfs/dbraw/zinc/08/92/70/673089270.db2.gz ZRQROWGOBOOHIO-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)CC(N)=O)O2 ZINC001068544195 673089187 /nfs/dbraw/zinc/08/91/87/673089187.db2.gz ZRQROWGOBOOHIO-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)CC(N)=O)O2 ZINC001068549487 673090231 /nfs/dbraw/zinc/09/02/31/673090231.db2.gz YXQRZWBFYLBURH-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC(N)=O)O2 ZINC001068549488 673090123 /nfs/dbraw/zinc/09/01/23/673090123.db2.gz YXQRZWBFYLBURH-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001068563437 673090597 /nfs/dbraw/zinc/09/05/97/673090597.db2.gz IXOVVTVKEDZPGA-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001068563438 673090509 /nfs/dbraw/zinc/09/05/09/673090509.db2.gz IXOVVTVKEDZPGA-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO NC(=O)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001068577997 673091537 /nfs/dbraw/zinc/09/15/37/673091537.db2.gz RFKLKHRUHKWEQR-GFCCVEGCSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001068578000 673091591 /nfs/dbraw/zinc/09/15/91/673091591.db2.gz RFKLKHRUHKWEQR-LBPRGKRZSA-N 1 0 338.408 -1.166 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068578474 673091739 /nfs/dbraw/zinc/09/17/39/673091739.db2.gz VPQPIHHMDARFTN-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068578475 673091929 /nfs/dbraw/zinc/09/19/29/673091929.db2.gz VPQPIHHMDARFTN-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)C1CC1 ZINC001068586396 673092135 /nfs/dbraw/zinc/09/21/35/673092135.db2.gz BTWNDMUZPATEQU-NEPJUHHUSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)C1CC1 ZINC001068586397 673092103 /nfs/dbraw/zinc/09/21/03/673092103.db2.gz BTWNDMUZPATEQU-NWDGAFQWSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)C1CC1 ZINC001068586398 673092267 /nfs/dbraw/zinc/09/22/67/673092267.db2.gz BTWNDMUZPATEQU-RYUDHWBXSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)C1CC1 ZINC001068586399 673092350 /nfs/dbraw/zinc/09/23/50/673092350.db2.gz BTWNDMUZPATEQU-VXGBXAGGSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)CCC1 ZINC001068586522 673092290 /nfs/dbraw/zinc/09/22/90/673092290.db2.gz FFTVBOLYJCGWCF-LLVKDONJSA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)CCC1 ZINC001068586523 673092243 /nfs/dbraw/zinc/09/22/43/673092243.db2.gz FFTVBOLYJCGWCF-NSHDSACASA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@H+](CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)C1CCC1 ZINC001068586792 673092381 /nfs/dbraw/zinc/09/23/81/673092381.db2.gz KYAIWOPNYQBYSY-GFCCVEGCSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@H+](CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)C1CCC1 ZINC001068586793 673092083 /nfs/dbraw/zinc/09/20/83/673092083.db2.gz KYAIWOPNYQBYSY-LBPRGKRZSA-N 1 0 338.408 -1.168 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068587593 673092833 /nfs/dbraw/zinc/09/28/33/673092833.db2.gz WJYZKGUAMRBNAW-LLVKDONJSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068587594 673092867 /nfs/dbraw/zinc/09/28/67/673092867.db2.gz WJYZKGUAMRBNAW-NSHDSACASA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068587950 673092588 /nfs/dbraw/zinc/09/25/88/673092588.db2.gz ZZUPKDAVNWEHBP-NEPJUHHUSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068587951 673092685 /nfs/dbraw/zinc/09/26/85/673092685.db2.gz ZZUPKDAVNWEHBP-RYUDHWBXSA-N 1 0 340.424 -1.066 20 0 EAADRO CC[C@H](C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068590217 673092824 /nfs/dbraw/zinc/09/28/24/673092824.db2.gz ZIIAWQXVHCUBAT-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@H](C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068590218 673092810 /nfs/dbraw/zinc/09/28/10/673092810.db2.gz ZIIAWQXVHCUBAT-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068592663 673093283 /nfs/dbraw/zinc/09/32/83/673093283.db2.gz CUFCRHBUINWOCM-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068592664 673093083 /nfs/dbraw/zinc/09/30/83/673093083.db2.gz CUFCRHBUINWOCM-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068592665 673093020 /nfs/dbraw/zinc/09/30/20/673093020.db2.gz CUFCRHBUINWOCM-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068592666 673093118 /nfs/dbraw/zinc/09/31/18/673093118.db2.gz CUFCRHBUINWOCM-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068592725 673093408 /nfs/dbraw/zinc/09/34/08/673093408.db2.gz DQHBMUDBYIPNLC-LLVKDONJSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068592726 673093050 /nfs/dbraw/zinc/09/30/50/673093050.db2.gz DQHBMUDBYIPNLC-NSHDSACASA-N 1 0 342.396 -2.074 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068597733 673093739 /nfs/dbraw/zinc/09/37/39/673093739.db2.gz ZIIAWQXVHCUBAT-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068597734 673093706 /nfs/dbraw/zinc/09/37/06/673093706.db2.gz ZIIAWQXVHCUBAT-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068598013 673093851 /nfs/dbraw/zinc/09/38/51/673093851.db2.gz HIEZFRQKNRRFFL-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068598014 673093822 /nfs/dbraw/zinc/09/38/22/673093822.db2.gz HIEZFRQKNRRFFL-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068598947 673093810 /nfs/dbraw/zinc/09/38/10/673093810.db2.gz ZZUPKDAVNWEHBP-NWDGAFQWSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1)[NH+](C)C ZINC001068598948 673093919 /nfs/dbraw/zinc/09/39/19/673093919.db2.gz ZZUPKDAVNWEHBP-VXGBXAGGSA-N 1 0 340.424 -1.066 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)CC1 ZINC001068614274 673094641 /nfs/dbraw/zinc/09/46/41/673094641.db2.gz GTZAHMDCTOBQFH-LLVKDONJSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)CC1 ZINC001068614275 673094598 /nfs/dbraw/zinc/09/45/98/673094598.db2.gz GTZAHMDCTOBQFH-NSHDSACASA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068615155 673094500 /nfs/dbraw/zinc/09/45/00/673094500.db2.gz UGEKQBQXWLBTEM-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068615156 673094449 /nfs/dbraw/zinc/09/44/49/673094449.db2.gz UGEKQBQXWLBTEM-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068615972 673095009 /nfs/dbraw/zinc/09/50/09/673095009.db2.gz FQNPCWDTCRRXIX-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068615973 673094991 /nfs/dbraw/zinc/09/49/91/673094991.db2.gz FQNPCWDTCRRXIX-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068615974 673094962 /nfs/dbraw/zinc/09/49/62/673094962.db2.gz FQNPCWDTCRRXIX-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068615975 673095105 /nfs/dbraw/zinc/09/51/05/673095105.db2.gz FQNPCWDTCRRXIX-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068617590 673096276 /nfs/dbraw/zinc/09/62/76/673096276.db2.gz CENGQTWMPDMLTO-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068617591 673096312 /nfs/dbraw/zinc/09/63/12/673096312.db2.gz CENGQTWMPDMLTO-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068617592 673096057 /nfs/dbraw/zinc/09/60/57/673096057.db2.gz CENGQTWMPDMLTO-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068617593 673096256 /nfs/dbraw/zinc/09/62/56/673096256.db2.gz CENGQTWMPDMLTO-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)CCC1 ZINC001068617722 673096373 /nfs/dbraw/zinc/09/63/73/673096373.db2.gz FXIIWXPIEGUFFT-LLVKDONJSA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)CCC1 ZINC001068617723 673096071 /nfs/dbraw/zinc/09/60/71/673096071.db2.gz FXIIWXPIEGUFFT-NSHDSACASA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)CC[N@@H+]1C ZINC001068617788 673096797 /nfs/dbraw/zinc/09/67/97/673096797.db2.gz HTADKCSDPFMRFU-GRYCIOLGSA-N 1 0 338.408 -1.312 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)CC[N@@H+]1C ZINC001068617789 673096723 /nfs/dbraw/zinc/09/67/23/673096723.db2.gz HTADKCSDPFMRFU-IJLUTSLNSA-N 1 0 338.408 -1.312 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068618032 673096625 /nfs/dbraw/zinc/09/66/25/673096625.db2.gz LWEHVCWVOZBHDM-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068618033 673096687 /nfs/dbraw/zinc/09/66/87/673096687.db2.gz LWEHVCWVOZBHDM-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068618034 673096607 /nfs/dbraw/zinc/09/66/07/673096607.db2.gz LWEHVCWVOZBHDM-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068618035 673097265 /nfs/dbraw/zinc/09/72/65/673097265.db2.gz LWEHVCWVOZBHDM-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2)C1CC1 ZINC001068618083 673097099 /nfs/dbraw/zinc/09/70/99/673097099.db2.gz MJCRJKHMFYSPTO-NEPJUHHUSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2)C1CC1 ZINC001068618084 673097114 /nfs/dbraw/zinc/09/71/14/673097114.db2.gz MJCRJKHMFYSPTO-NWDGAFQWSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2)C1CC1 ZINC001068618085 673097281 /nfs/dbraw/zinc/09/72/81/673097281.db2.gz MJCRJKHMFYSPTO-RYUDHWBXSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2)C1CC1 ZINC001068618086 673097006 /nfs/dbraw/zinc/09/70/06/673097006.db2.gz MJCRJKHMFYSPTO-VXGBXAGGSA-N 1 0 338.408 -1.312 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068618178 673097168 /nfs/dbraw/zinc/09/71/68/673097168.db2.gz NHPFFXHJOVHZFF-LLVKDONJSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068618179 673097049 /nfs/dbraw/zinc/09/70/49/673097049.db2.gz NHPFFXHJOVHZFF-NSHDSACASA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068618290 673097043 /nfs/dbraw/zinc/09/70/43/673097043.db2.gz PHMMSDJJZFWSIJ-NEPJUHHUSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068618291 673096981 /nfs/dbraw/zinc/09/69/81/673096981.db2.gz PHMMSDJJZFWSIJ-RYUDHWBXSA-N 1 0 340.424 -1.066 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)C1 ZINC001068618354 673097031 /nfs/dbraw/zinc/09/70/31/673097031.db2.gz QDNSLCPWIFOPFY-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)C1 ZINC001068618356 673097125 /nfs/dbraw/zinc/09/71/25/673097125.db2.gz QDNSLCPWIFOPFY-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)C1 ZINC001068618358 673096919 /nfs/dbraw/zinc/09/69/19/673096919.db2.gz QDNSLCPWIFOPFY-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)C1 ZINC001068618359 673097229 /nfs/dbraw/zinc/09/72/29/673097229.db2.gz QDNSLCPWIFOPFY-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)CC1 ZINC001068618537 673097573 /nfs/dbraw/zinc/09/75/73/673097573.db2.gz SITZNKXUFDZJCU-GFCCVEGCSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)CC1 ZINC001068618538 673097566 /nfs/dbraw/zinc/09/75/66/673097566.db2.gz SITZNKXUFDZJCU-LBPRGKRZSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@H+](CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2)C1CCC1 ZINC001068619012 673097459 /nfs/dbraw/zinc/09/74/59/673097459.db2.gz XXRTVUYXLXEINX-GFCCVEGCSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@H+](CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2)C1CCC1 ZINC001068619013 673097587 /nfs/dbraw/zinc/09/75/87/673097587.db2.gz XXRTVUYXLXEINX-LBPRGKRZSA-N 1 0 338.408 -1.168 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068619118 673097917 /nfs/dbraw/zinc/09/79/17/673097917.db2.gz ZZCYSLWUHOEAMR-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068619119 673097890 /nfs/dbraw/zinc/09/78/90/673097890.db2.gz ZZCYSLWUHOEAMR-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001068620080 673097986 /nfs/dbraw/zinc/09/79/86/673097986.db2.gz HFRSPRQOPRLISC-LLVKDONJSA-N 1 0 336.392 -1.556 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001068620081 673098255 /nfs/dbraw/zinc/09/82/55/673098255.db2.gz HFRSPRQOPRLISC-NSHDSACASA-N 1 0 336.392 -1.556 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068620278 673098238 /nfs/dbraw/zinc/09/82/38/673098238.db2.gz KJYOHHBDSDQRDZ-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068620279 673098249 /nfs/dbraw/zinc/09/82/49/673098249.db2.gz KJYOHHBDSDQRDZ-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)CC1 ZINC001068620414 673098543 /nfs/dbraw/zinc/09/85/43/673098543.db2.gz MHXDGKZWVFQBHD-LLVKDONJSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)CC1 ZINC001068620415 673098623 /nfs/dbraw/zinc/09/86/23/673098623.db2.gz MHXDGKZWVFQBHD-NSHDSACASA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)C1 ZINC001068620520 673098328 /nfs/dbraw/zinc/09/83/28/673098328.db2.gz NTSKKGKFJUQJDZ-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)C1 ZINC001068620521 673098493 /nfs/dbraw/zinc/09/84/93/673098493.db2.gz NTSKKGKFJUQJDZ-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)C1 ZINC001068620522 673098583 /nfs/dbraw/zinc/09/85/83/673098583.db2.gz NTSKKGKFJUQJDZ-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)C1 ZINC001068620523 673098659 /nfs/dbraw/zinc/09/86/59/673098659.db2.gz NTSKKGKFJUQJDZ-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO CC(C)[C@H](C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068620642 673098642 /nfs/dbraw/zinc/09/86/42/673098642.db2.gz PHMMSDJJZFWSIJ-NWDGAFQWSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@H](C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2)[NH+](C)C ZINC001068620643 673098677 /nfs/dbraw/zinc/09/86/77/673098677.db2.gz PHMMSDJJZFWSIJ-VXGBXAGGSA-N 1 0 340.424 -1.066 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068620918 673098592 /nfs/dbraw/zinc/09/85/92/673098592.db2.gz TYWOOSDFLMEGSC-LLVKDONJSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068620919 673098404 /nfs/dbraw/zinc/09/84/04/673098404.db2.gz TYWOOSDFLMEGSC-NSHDSACASA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068621060 673098514 /nfs/dbraw/zinc/09/85/14/673098514.db2.gz VSHMOSVVQCOUAC-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068621061 673098613 /nfs/dbraw/zinc/09/86/13/673098613.db2.gz VSHMOSVVQCOUAC-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068621276 673099082 /nfs/dbraw/zinc/09/90/82/673099082.db2.gz XGYKRXDLKQPHSG-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068621277 673098893 /nfs/dbraw/zinc/09/88/93/673098893.db2.gz XGYKRXDLKQPHSG-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)CNC(N)=O)C2)O1 ZINC001068622266 673098957 /nfs/dbraw/zinc/09/89/57/673098957.db2.gz CFPKAHNIBSDXLV-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)CNC(N)=O)C2)O1 ZINC001068622267 673098917 /nfs/dbraw/zinc/09/89/17/673098917.db2.gz CFPKAHNIBSDXLV-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)CC[C@H](CNC(=O)CC[NH+](C)C)O2 ZINC001068622680 673099027 /nfs/dbraw/zinc/09/90/27/673099027.db2.gz JNVDAVZJXDUANH-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC[NH+](C)C)O2 ZINC001068622681 673099036 /nfs/dbraw/zinc/09/90/36/673099036.db2.gz JNVDAVZJXDUANH-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 ZINC001068624444 673098891 /nfs/dbraw/zinc/09/88/91/673098891.db2.gz NRWUBFPYBNYVST-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 ZINC001068624445 673099108 /nfs/dbraw/zinc/09/91/08/673099108.db2.gz NRWUBFPYBNYVST-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)CC[NH+](C)C)O2 ZINC001068624794 673099031 /nfs/dbraw/zinc/09/90/31/673099031.db2.gz SMKAGVCCZYXFLC-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC[NH+](C)C)O2 ZINC001068624795 673099204 /nfs/dbraw/zinc/09/92/04/673099204.db2.gz SMKAGVCCZYXFLC-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068631842 673099121 /nfs/dbraw/zinc/09/91/21/673099121.db2.gz KVGIFQRFUQCJAX-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068631843 673098935 /nfs/dbraw/zinc/09/89/35/673098935.db2.gz KVGIFQRFUQCJAX-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068631844 673099001 /nfs/dbraw/zinc/09/90/01/673099001.db2.gz KVGIFQRFUQCJAX-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068631845 673098983 /nfs/dbraw/zinc/09/89/83/673098983.db2.gz KVGIFQRFUQCJAX-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068631911 673098831 /nfs/dbraw/zinc/09/88/31/673098831.db2.gz LYQDWUAKGACVER-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC001068631912 673098884 /nfs/dbraw/zinc/09/88/84/673098884.db2.gz LYQDWUAKGACVER-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068633032 673099606 /nfs/dbraw/zinc/09/96/06/673099606.db2.gz XUICHYUCAVOWCI-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068633033 673099470 /nfs/dbraw/zinc/09/94/70/673099470.db2.gz XUICHYUCAVOWCI-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068633034 673099653 /nfs/dbraw/zinc/09/96/53/673099653.db2.gz XUICHYUCAVOWCI-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC001068633035 673099263 /nfs/dbraw/zinc/09/92/63/673099263.db2.gz XUICHYUCAVOWCI-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO COCC(=O)N[C@H]1COC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001068654341 673101514 /nfs/dbraw/zinc/10/15/14/673101514.db2.gz HSXJMOOOYOSUTP-GFCCVEGCSA-N 1 0 329.397 -1.303 20 0 EAADRO COCC(=O)N[C@@H]1COC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001068654342 673101445 /nfs/dbraw/zinc/10/14/45/673101445.db2.gz HSXJMOOOYOSUTP-LBPRGKRZSA-N 1 0 329.397 -1.303 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068662505 673103322 /nfs/dbraw/zinc/10/33/22/673103322.db2.gz OYKICFFZBUYVKK-CHWSQXEVSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068662508 673103360 /nfs/dbraw/zinc/10/33/60/673103360.db2.gz OYKICFFZBUYVKK-OLZOCXBDSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068662512 673103348 /nfs/dbraw/zinc/10/33/48/673103348.db2.gz OYKICFFZBUYVKK-QWHCGFSZSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068662514 673103354 /nfs/dbraw/zinc/10/33/54/673103354.db2.gz OYKICFFZBUYVKK-STQMWFEESA-N 1 0 338.408 -1.297 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CNC(C)=O)CO2 ZINC001068666089 673103505 /nfs/dbraw/zinc/10/35/05/673103505.db2.gz JZIDEGHRQAMSKP-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)CNC(C)=O)CO2 ZINC001068666090 673103536 /nfs/dbraw/zinc/10/35/36/673103536.db2.gz JZIDEGHRQAMSKP-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CNC(C)=O)CO2)[NH+](C)C ZINC001068666621 673104114 /nfs/dbraw/zinc/10/41/14/673104114.db2.gz VGSZIHNWBRVQOZ-CHWSQXEVSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CNC(C)=O)CO2)[NH+](C)C ZINC001068666622 673104180 /nfs/dbraw/zinc/10/41/80/673104180.db2.gz VGSZIHNWBRVQOZ-OLZOCXBDSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CNC(C)=O)CO2)[NH+](C)C ZINC001068666623 673104136 /nfs/dbraw/zinc/10/41/36/673104136.db2.gz VGSZIHNWBRVQOZ-QWHCGFSZSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CNC(C)=O)CO2)[NH+](C)C ZINC001068666624 673104184 /nfs/dbraw/zinc/10/41/84/673104184.db2.gz VGSZIHNWBRVQOZ-STQMWFEESA-N 1 0 340.424 -1.051 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CNC(C)=O)CO2 ZINC001068666819 673104574 /nfs/dbraw/zinc/10/45/74/673104574.db2.gz ZUGYMQXDQBTNQY-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO 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/nfs/dbraw/zinc/11/48/89/673114889.db2.gz XXHOQJLEUOXAEO-NWDGAFQWSA-N 1 0 338.408 -1.297 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068764785 673114953 /nfs/dbraw/zinc/11/49/53/673114953.db2.gz XXHOQJLEUOXAEO-RYUDHWBXSA-N 1 0 338.408 -1.297 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068764786 673114920 /nfs/dbraw/zinc/11/49/20/673114920.db2.gz XXHOQJLEUOXAEO-VXGBXAGGSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001068769678 673115261 /nfs/dbraw/zinc/11/52/61/673115261.db2.gz KNQKTBRRASJJKH-CHWSQXEVSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001068769680 673115291 /nfs/dbraw/zinc/11/52/91/673115291.db2.gz KNQKTBRRASJJKH-OLZOCXBDSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001068769682 673115272 /nfs/dbraw/zinc/11/52/72/673115272.db2.gz KNQKTBRRASJJKH-QWHCGFSZSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001068769684 673115303 /nfs/dbraw/zinc/11/53/03/673115303.db2.gz KNQKTBRRASJJKH-STQMWFEESA-N 1 0 338.408 -1.297 20 0 EAADRO CCC(=O)NCC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068770013 673115233 /nfs/dbraw/zinc/11/52/33/673115233.db2.gz QEAUIJMDVFCPIU-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068770014 673115184 /nfs/dbraw/zinc/11/51/84/673115184.db2.gz QEAUIJMDVFCPIU-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068778990 673116208 /nfs/dbraw/zinc/11/62/08/673116208.db2.gz JRVXEOOKOBUJPA-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068778991 673116193 /nfs/dbraw/zinc/11/61/93/673116193.db2.gz JRVXEOOKOBUJPA-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068778992 673116095 /nfs/dbraw/zinc/11/60/95/673116095.db2.gz JRVXEOOKOBUJPA-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068778993 673116188 /nfs/dbraw/zinc/11/61/88/673116188.db2.gz JRVXEOOKOBUJPA-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)CC(=O)N[C@H]1COC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001068779702 673116350 /nfs/dbraw/zinc/11/63/50/673116350.db2.gz PSUUXXKRJFVCTQ-LLVKDONJSA-N 1 0 336.392 -1.556 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001068779703 673116426 /nfs/dbraw/zinc/11/64/26/673116426.db2.gz PSUUXXKRJFVCTQ-NSHDSACASA-N 1 0 336.392 -1.556 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068779964 673116740 /nfs/dbraw/zinc/11/67/40/673116740.db2.gz UBDYOIROSAXLPT-LLVKDONJSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068779965 673116914 /nfs/dbraw/zinc/11/69/14/673116914.db2.gz UBDYOIROSAXLPT-NSHDSACASA-N 1 0 342.396 -2.074 20 0 EAADRO C[N@H+](CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2)C1CCC1 ZINC001068781560 673117216 /nfs/dbraw/zinc/11/72/16/673117216.db2.gz CZDVBDZDSNFHCH-LLVKDONJSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@H+](CC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2)C1CCC1 ZINC001068781562 673117088 /nfs/dbraw/zinc/11/70/88/673117088.db2.gz CZDVBDZDSNFHCH-NSHDSACASA-N 1 0 338.408 -1.168 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068782095 673117770 /nfs/dbraw/zinc/11/77/70/673117770.db2.gz JCUGGDDKKPBAOX-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068782096 673117679 /nfs/dbraw/zinc/11/76/79/673117679.db2.gz JCUGGDDKKPBAOX-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068782309 673117629 /nfs/dbraw/zinc/11/76/29/673117629.db2.gz LOOLUVLPAFMGMR-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068782310 673117690 /nfs/dbraw/zinc/11/76/90/673117690.db2.gz LOOLUVLPAFMGMR-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068782311 673117501 /nfs/dbraw/zinc/11/75/01/673117501.db2.gz LOOLUVLPAFMGMR-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068782312 673117737 /nfs/dbraw/zinc/11/77/37/673117737.db2.gz LOOLUVLPAFMGMR-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068782785 673117667 /nfs/dbraw/zinc/11/76/67/673117667.db2.gz RKLUGMRGJMQPSL-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068782787 673117427 /nfs/dbraw/zinc/11/74/27/673117427.db2.gz RKLUGMRGJMQPSL-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068782789 673117719 /nfs/dbraw/zinc/11/77/19/673117719.db2.gz RKLUGMRGJMQPSL-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068782791 673117443 /nfs/dbraw/zinc/11/74/43/673117443.db2.gz RKLUGMRGJMQPSL-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068783003 673118137 /nfs/dbraw/zinc/11/81/37/673118137.db2.gz UPNAOXGBBZIAJI-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068783004 673118150 /nfs/dbraw/zinc/11/81/50/673118150.db2.gz UPNAOXGBBZIAJI-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)CC1 ZINC001068783121 673117858 /nfs/dbraw/zinc/11/78/58/673117858.db2.gz XPPGCJSDHDPKFM-GFCCVEGCSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)CC1 ZINC001068783122 673117991 /nfs/dbraw/zinc/11/79/91/673117991.db2.gz XPPGCJSDHDPKFM-LBPRGKRZSA-N 1 0 338.408 -1.310 20 0 EAADRO CC(C)[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068783191 673117944 /nfs/dbraw/zinc/11/79/44/673117944.db2.gz YSZUDRSKZBGPNQ-BXUZGUMPSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068783192 673118129 /nfs/dbraw/zinc/11/81/29/673118129.db2.gz YSZUDRSKZBGPNQ-FZMZJTMJSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068783193 673117884 /nfs/dbraw/zinc/11/78/84/673117884.db2.gz YSZUDRSKZBGPNQ-RISCZKNCSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2)[NH+](C)C ZINC001068783194 673118045 /nfs/dbraw/zinc/11/80/45/673118045.db2.gz YSZUDRSKZBGPNQ-SMDDNHRTSA-N 1 0 340.424 -1.066 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2)C1CC1 ZINC001068783430 673118251 /nfs/dbraw/zinc/11/82/51/673118251.db2.gz DGPMHBIOWDECNE-BXUZGUMPSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2)C1CC1 ZINC001068783431 673118556 /nfs/dbraw/zinc/11/85/56/673118556.db2.gz DGPMHBIOWDECNE-FZMZJTMJSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2)C1CC1 ZINC001068783432 673118309 /nfs/dbraw/zinc/11/83/09/673118309.db2.gz DGPMHBIOWDECNE-RISCZKNCSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2)C1CC1 ZINC001068783433 673118459 /nfs/dbraw/zinc/11/84/59/673118459.db2.gz DGPMHBIOWDECNE-SMDDNHRTSA-N 1 0 338.408 -1.312 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068783616 673118517 /nfs/dbraw/zinc/11/85/17/673118517.db2.gz HIMRNIDXVPINPC-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068783617 673118335 /nfs/dbraw/zinc/11/83/35/673118335.db2.gz HIMRNIDXVPINPC-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068783618 673118477 /nfs/dbraw/zinc/11/84/77/673118477.db2.gz HIMRNIDXVPINPC-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068783619 673118276 /nfs/dbraw/zinc/11/82/76/673118276.db2.gz HIMRNIDXVPINPC-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)CC[N@@H+]1C ZINC001068783793 673118889 /nfs/dbraw/zinc/11/88/89/673118889.db2.gz KTRKRKCJVPRMHZ-GRYCIOLGSA-N 1 0 338.408 -1.312 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)CC[N@@H+]1C ZINC001068783794 673118726 /nfs/dbraw/zinc/11/87/26/673118726.db2.gz KTRKRKCJVPRMHZ-IJLUTSLNSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)CC1 ZINC001068783795 673118741 /nfs/dbraw/zinc/11/87/41/673118741.db2.gz KWPLYMAGHGIVAL-LLVKDONJSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)CC1 ZINC001068783796 673118922 /nfs/dbraw/zinc/11/89/22/673118922.db2.gz KWPLYMAGHGIVAL-NSHDSACASA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)CCC1 ZINC001068784088 673118882 /nfs/dbraw/zinc/11/88/82/673118882.db2.gz OWXCSEPYTAFKSZ-LLVKDONJSA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)CCC1 ZINC001068784089 673118776 /nfs/dbraw/zinc/11/87/76/673118776.db2.gz OWXCSEPYTAFKSZ-NSHDSACASA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068784284 673119315 /nfs/dbraw/zinc/11/93/15/673119315.db2.gz QLMQLVPUDYOPKW-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068784285 673119154 /nfs/dbraw/zinc/11/91/54/673119154.db2.gz QLMQLVPUDYOPKW-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068784504 673119416 /nfs/dbraw/zinc/11/94/16/673119416.db2.gz RZLBFYYWZIFMIF-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068784508 673119207 /nfs/dbraw/zinc/11/92/07/673119207.db2.gz RZLBFYYWZIFMIF-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068784512 673119275 /nfs/dbraw/zinc/11/92/75/673119275.db2.gz RZLBFYYWZIFMIF-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068784517 673119139 /nfs/dbraw/zinc/11/91/39/673119139.db2.gz RZLBFYYWZIFMIF-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068784939 673119820 /nfs/dbraw/zinc/11/98/20/673119820.db2.gz WJQCRQDNKZDUMT-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068784942 673119884 /nfs/dbraw/zinc/11/98/84/673119884.db2.gz WJQCRQDNKZDUMT-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068785183 673119748 /nfs/dbraw/zinc/11/97/48/673119748.db2.gz ZVQRISQINKEISD-LLVKDONJSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068785184 673119825 /nfs/dbraw/zinc/11/98/25/673119825.db2.gz ZVQRISQINKEISD-NSHDSACASA-N 1 0 326.397 -1.312 20 0 EAADRO CCNC(=O)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068820761 673121046 /nfs/dbraw/zinc/12/10/46/673121046.db2.gz DJCUFDFDXAEANB-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068820762 673121020 /nfs/dbraw/zinc/12/10/20/673121020.db2.gz DJCUFDFDXAEANB-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(=O)NC)CO2)[NH+](C)C ZINC001068826752 673122076 /nfs/dbraw/zinc/12/20/76/673122076.db2.gz MOZHLBLLAORWEX-NWDGAFQWSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(=O)NC)CO2)[NH+](C)C 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BJNIIHYTPQUYJX-GFCCVEGCSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068830392 673122944 /nfs/dbraw/zinc/12/29/44/673122944.db2.gz BJNIIHYTPQUYJX-LBPRGKRZSA-N 1 0 340.424 -1.051 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC(=O)NC)CO2 ZINC001068830449 673122777 /nfs/dbraw/zinc/12/27/77/673122777.db2.gz CISVVWNWGMHKIA-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC(=O)NC)CO2 ZINC001068830450 673122788 /nfs/dbraw/zinc/12/27/88/673122788.db2.gz CISVVWNWGMHKIA-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1COC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001068830843 673122794 /nfs/dbraw/zinc/12/27/94/673122794.db2.gz GYZUSIUSVQNCNP-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001068830845 673122898 /nfs/dbraw/zinc/12/28/98/673122898.db2.gz GYZUSIUSVQNCNP-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068831360 673123296 /nfs/dbraw/zinc/12/32/96/673123296.db2.gz MJAYCQFNEMVPIP-QWRGUYRKSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068831361 673123239 /nfs/dbraw/zinc/12/32/39/673123239.db2.gz MJAYCQFNEMVPIP-WDEREUQCSA-N 1 0 341.412 -1.519 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(=O)NC)CO2)[NH+](C)C ZINC001068831372 673123433 /nfs/dbraw/zinc/12/34/33/673123433.db2.gz MOZHLBLLAORWEX-NEPJUHHUSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC(=O)NC)CO2)[NH+](C)C ZINC001068831373 673123480 /nfs/dbraw/zinc/12/34/80/673123480.db2.gz MOZHLBLLAORWEX-RYUDHWBXSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068831640 673123452 /nfs/dbraw/zinc/12/34/52/673123452.db2.gz QDBOBPJISZBAAL-NEPJUHHUSA-N 1 0 338.408 -1.440 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068831641 673123423 /nfs/dbraw/zinc/12/34/23/673123423.db2.gz QDBOBPJISZBAAL-NWDGAFQWSA-N 1 0 338.408 -1.440 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068831642 673123335 /nfs/dbraw/zinc/12/33/35/673123335.db2.gz QDBOBPJISZBAAL-RYUDHWBXSA-N 1 0 338.408 -1.440 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068831643 673123235 /nfs/dbraw/zinc/12/32/35/673123235.db2.gz QDBOBPJISZBAAL-VXGBXAGGSA-N 1 0 338.408 -1.440 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068831726 673123402 /nfs/dbraw/zinc/12/34/02/673123402.db2.gz RIVOHORVUCJOLO-LLVKDONJSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068831727 673123355 /nfs/dbraw/zinc/12/33/55/673123355.db2.gz RIVOHORVUCJOLO-NSHDSACASA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1COC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001068831874 673123668 /nfs/dbraw/zinc/12/36/68/673123668.db2.gz 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C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1COC(=O)N1)CO2 ZINC001068842470 673124463 /nfs/dbraw/zinc/12/44/63/673124463.db2.gz LPRJWBDELMHLMO-GHMZBOCLSA-N 1 0 340.380 -1.467 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1COC(=O)N1)CO2 ZINC001068842471 673124526 /nfs/dbraw/zinc/12/45/26/673124526.db2.gz LPRJWBDELMHLMO-MNOVXSKESA-N 1 0 340.380 -1.467 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1COC(=O)N1)CO2 ZINC001068842472 673124451 /nfs/dbraw/zinc/12/44/51/673124451.db2.gz LPRJWBDELMHLMO-QWRGUYRKSA-N 1 0 340.380 -1.467 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1COC(=O)N1)CO2 ZINC001068842473 673124391 /nfs/dbraw/zinc/12/43/91/673124391.db2.gz LPRJWBDELMHLMO-WDEREUQCSA-N 1 0 340.380 -1.467 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068842972 673124436 /nfs/dbraw/zinc/12/44/36/673124436.db2.gz VDOIGXQBFOCMEQ-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068842973 673124481 /nfs/dbraw/zinc/12/44/81/673124481.db2.gz VDOIGXQBFOCMEQ-NSHDSACASA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)nn1 ZINC001068847822 673124968 /nfs/dbraw/zinc/12/49/68/673124968.db2.gz MIVGZHMNWNRXRN-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)nn1 ZINC001068847823 673124878 /nfs/dbraw/zinc/12/48/78/673124878.db2.gz MIVGZHMNWNRXRN-NSHDSACASA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1 ZINC001068848338 673125358 /nfs/dbraw/zinc/12/53/58/673125358.db2.gz WDYOQEOGSRCFGU-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1 ZINC001068848339 673125314 /nfs/dbraw/zinc/12/53/14/673125314.db2.gz WDYOQEOGSRCFGU-NSHDSACASA-N 1 0 336.396 -1.134 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCNC(N)=O)CO2 ZINC001068865232 673126365 /nfs/dbraw/zinc/12/63/65/673126365.db2.gz STZJGJQZYLKTEX-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)CCNC(N)=O)CO2 ZINC001068865233 673126415 /nfs/dbraw/zinc/12/64/15/673126415.db2.gz STZJGJQZYLKTEX-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO CN(C)C(=O)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068873532 673127420 /nfs/dbraw/zinc/12/74/20/673127420.db2.gz BLXYJSXHMBGRNC-GFCCVEGCSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)C(=O)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068873534 673127453 /nfs/dbraw/zinc/12/74/53/673127453.db2.gz BLXYJSXHMBGRNC-LBPRGKRZSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068873605 673127460 /nfs/dbraw/zinc/12/74/60/673127460.db2.gz GFZYSEKNBCMYBO-CYBMUJFWSA-N 1 0 338.408 -1.296 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068873606 673127429 /nfs/dbraw/zinc/12/74/29/673127429.db2.gz GFZYSEKNBCMYBO-ZDUSSCGKSA-N 1 0 338.408 -1.296 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001068873815 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CC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001068874006 673127927 /nfs/dbraw/zinc/12/79/27/673127927.db2.gz JIQZLLDHBXGPLJ-STQMWFEESA-N 1 0 338.408 -1.440 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068874316 673127841 /nfs/dbraw/zinc/12/78/41/673127841.db2.gz NIIMHRVGCFKPOJ-GFCCVEGCSA-N 1 0 338.408 -1.296 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068874317 673127873 /nfs/dbraw/zinc/12/78/73/673127873.db2.gz NIIMHRVGCFKPOJ-LBPRGKRZSA-N 1 0 338.408 -1.296 20 0 EAADRO NC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068874706 673128365 /nfs/dbraw/zinc/12/83/65/673128365.db2.gz VYSXYYIEGYJBGO-LLVKDONJSA-N 1 0 339.396 -1.763 20 0 EAADRO NC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068874707 673128393 /nfs/dbraw/zinc/12/83/93/673128393.db2.gz VYSXYYIEGYJBGO-NSHDSACASA-N 1 0 339.396 -1.763 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)CNC(N)=O)C3)C2)C1 ZINC001068874890 673128310 /nfs/dbraw/zinc/12/83/10/673128310.db2.gz ZPBPRMSGPPKCBC-GHMZBOCLSA-N 1 0 339.396 -1.908 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)CNC(N)=O)C3)C2)C1 ZINC001068874891 673128480 /nfs/dbraw/zinc/12/84/80/673128480.db2.gz ZPBPRMSGPPKCBC-MNOVXSKESA-N 1 0 339.396 -1.908 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)CNC(N)=O)C3)C2)C1 ZINC001068874892 673128426 /nfs/dbraw/zinc/12/84/26/673128426.db2.gz ZPBPRMSGPPKCBC-QWRGUYRKSA-N 1 0 339.396 -1.908 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(C(=O)CNC(N)=O)C3)C2)C1 ZINC001068874893 673128458 /nfs/dbraw/zinc/12/84/58/673128458.db2.gz ZPBPRMSGPPKCBC-WDEREUQCSA-N 1 0 339.396 -1.908 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068875106 673128472 /nfs/dbraw/zinc/12/84/72/673128472.db2.gz MZRSKEJNJPBVTB-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068875107 673128510 /nfs/dbraw/zinc/12/85/10/673128510.db2.gz MZRSKEJNJPBVTB-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068875647 673128319 /nfs/dbraw/zinc/12/83/19/673128319.db2.gz QPCXFAMTWZTFOD-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068875648 673128512 /nfs/dbraw/zinc/12/85/12/673128512.db2.gz QPCXFAMTWZTFOD-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1ncnn1)CO2 ZINC001068878856 673128943 /nfs/dbraw/zinc/12/89/43/673128943.db2.gz NHUFMNBXOVNHMR-LLVKDONJSA-N 1 0 337.384 -1.889 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1ncnn1)CO2 ZINC001068878857 673128753 /nfs/dbraw/zinc/12/87/53/673128753.db2.gz NHUFMNBXOVNHMR-NSHDSACASA-N 1 0 337.384 -1.889 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1nccn1)CO2 ZINC001068879830 673129269 /nfs/dbraw/zinc/12/92/69/673129269.db2.gz JPKIGZQFCOOZIA-GFCCVEGCSA-N 1 0 336.396 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1nccn1)CO2 ZINC001068879831 673129381 /nfs/dbraw/zinc/12/93/81/673129381.db2.gz JPKIGZQFCOOZIA-LBPRGKRZSA-N 1 0 336.396 -1.284 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068891006 673129747 /nfs/dbraw/zinc/12/97/47/673129747.db2.gz GWERMUKAPZWPKQ-GHMZBOCLSA-N 1 0 344.387 -1.362 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068891007 673129606 /nfs/dbraw/zinc/12/96/06/673129606.db2.gz GWERMUKAPZWPKQ-MNOVXSKESA-N 1 0 344.387 -1.362 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068891008 673129776 /nfs/dbraw/zinc/12/97/76/673129776.db2.gz GWERMUKAPZWPKQ-QWRGUYRKSA-N 1 0 344.387 -1.362 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068891009 673129596 /nfs/dbraw/zinc/12/95/96/673129596.db2.gz GWERMUKAPZWPKQ-WDEREUQCSA-N 1 0 344.387 -1.362 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068899038 673130951 /nfs/dbraw/zinc/13/09/51/673130951.db2.gz FAWBMLNLCDUXRE-LLVKDONJSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068899039 673130878 /nfs/dbraw/zinc/13/08/78/673130878.db2.gz FAWBMLNLCDUXRE-NSHDSACASA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001068899254 673130882 /nfs/dbraw/zinc/13/08/82/673130882.db2.gz KLRGAQOHJVJUPH-GFCCVEGCSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001068899255 673130926 /nfs/dbraw/zinc/13/09/26/673130926.db2.gz KLRGAQOHJVJUPH-LBPRGKRZSA-N 1 0 340.424 -1.051 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001068899293 673130916 /nfs/dbraw/zinc/13/09/16/673130916.db2.gz LKQSDKWGGSPCLB-GFCCVEGCSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001068899294 673130943 /nfs/dbraw/zinc/13/09/43/673130943.db2.gz LKQSDKWGGSPCLB-LBPRGKRZSA-N 1 0 338.408 -1.166 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068899343 673130904 /nfs/dbraw/zinc/13/09/04/673130904.db2.gz MFQSTAUOZOJFQC-LLVKDONJSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068899344 673130773 /nfs/dbraw/zinc/13/07/73/673130773.db2.gz MFQSTAUOZOJFQC-NSHDSACASA-N 1 0 326.397 -1.312 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001068899488 673130968 /nfs/dbraw/zinc/13/09/68/673130968.db2.gz NRVYFQVKLQYTSR-CYBMUJFWSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001068899489 673130767 /nfs/dbraw/zinc/13/07/67/673130767.db2.gz NRVYFQVKLQYTSR-ZDUSSCGKSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068899536 673130779 /nfs/dbraw/zinc/13/07/79/673130779.db2.gz OTMGEUPRYGMTJB-LLVKDONJSA-N 1 0 341.412 -1.519 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068899537 673130821 /nfs/dbraw/zinc/13/08/21/673130821.db2.gz OTMGEUPRYGMTJB-NSHDSACASA-N 1 0 341.412 -1.519 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)C[C@@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001068900215 673131149 /nfs/dbraw/zinc/13/11/49/673131149.db2.gz VYQCSMBOYFMWJX-GFCCVEGCSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)C[C@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001068900216 673131338 /nfs/dbraw/zinc/13/13/38/673131338.db2.gz VYQCSMBOYFMWJX-LBPRGKRZSA-N 1 0 338.408 -1.166 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)CCC1 ZINC001068901682 673131280 /nfs/dbraw/zinc/13/12/80/673131280.db2.gz LFHRWRTYHWTTIU-LLVKDONJSA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)CCC1 ZINC001068901683 673131161 /nfs/dbraw/zinc/13/11/61/673131161.db2.gz LFHRWRTYHWTTIU-NSHDSACASA-N 1 0 338.408 -1.168 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)C1CC1 ZINC001068901966 673131198 /nfs/dbraw/zinc/13/11/98/673131198.db2.gz NECQXZSTFZSTDL-BXUZGUMPSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)C1CC1 ZINC001068901967 673131261 /nfs/dbraw/zinc/13/12/61/673131261.db2.gz NECQXZSTFZSTDL-FZMZJTMJSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)C1CC1 ZINC001068901968 673131175 /nfs/dbraw/zinc/13/11/75/673131175.db2.gz NECQXZSTFZSTDL-RISCZKNCSA-N 1 0 338.408 -1.312 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)C1CC1 ZINC001068901969 673131354 /nfs/dbraw/zinc/13/13/54/673131354.db2.gz NECQXZSTFZSTDL-SMDDNHRTSA-N 1 0 338.408 -1.312 20 0 EAADRO C[N@H+](CC(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)C1CCC1 ZINC001068904751 673131770 /nfs/dbraw/zinc/13/17/70/673131770.db2.gz BMZQAEUVBLZRMJ-LLVKDONJSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@H+](CC(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)C1CCC1 ZINC001068904752 673131603 /nfs/dbraw/zinc/13/16/03/673131603.db2.gz BMZQAEUVBLZRMJ-NSHDSACASA-N 1 0 338.408 -1.168 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068907135 673131673 /nfs/dbraw/zinc/13/16/73/673131673.db2.gz JYSITSSEZXICTL-FZMZJTMJSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068907136 673131575 /nfs/dbraw/zinc/13/15/75/673131575.db2.gz JYSITSSEZXICTL-RISCZKNCSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1)[NH+](C)C ZINC001068908044 673131615 /nfs/dbraw/zinc/13/16/15/673131615.db2.gz TXGSBQFCVQJUGL-MNOVXSKESA-N 1 0 326.397 -1.456 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1)[NH+](C)C ZINC001068908045 673131649 /nfs/dbraw/zinc/13/16/49/673131649.db2.gz TXGSBQFCVQJUGL-QWRGUYRKSA-N 1 0 326.397 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C(C)(C)C(N)=O)CO2 ZINC001068908184 673131731 /nfs/dbraw/zinc/13/17/31/673131731.db2.gz WJJBGRFOXQNFCY-LLVKDONJSA-N 1 0 340.424 -1.064 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C(C)(C)C(N)=O)CO2 ZINC001068908185 673131624 /nfs/dbraw/zinc/13/16/24/673131624.db2.gz WJJBGRFOXQNFCY-NSHDSACASA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@H](C(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1)[NH+](C)C ZINC001068911537 673132088 /nfs/dbraw/zinc/13/20/88/673132088.db2.gz CFBMUGDFUUXDTF-GHMZBOCLSA-N 1 0 341.412 -1.519 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1)[NH+](C)C ZINC001068911540 673132099 /nfs/dbraw/zinc/13/20/99/673132099.db2.gz CFBMUGDFUUXDTF-WDEREUQCSA-N 1 0 341.412 -1.519 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1)[NH+](C)C ZINC001068912121 673132228 /nfs/dbraw/zinc/13/22/28/673132228.db2.gz GWAUXFLPISPRJL-NWDGAFQWSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1)[NH+](C)C ZINC001068912122 673132045 /nfs/dbraw/zinc/13/20/45/673132045.db2.gz GWAUXFLPISPRJL-VXGBXAGGSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068912407 673132053 /nfs/dbraw/zinc/13/20/53/673132053.db2.gz JFDQKZBXUALVTG-JTQLQIEISA-N 1 0 326.397 -1.312 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068912408 673132016 /nfs/dbraw/zinc/13/20/16/673132016.db2.gz JFDQKZBXUALVTG-SNVBAGLBSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@H](C(=O)N[C@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1)[NH+](C)C ZINC001068912671 673132240 /nfs/dbraw/zinc/13/22/40/673132240.db2.gz LQLYYVLWWWWQTO-CHWSQXEVSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1)[NH+](C)C ZINC001068912673 673132094 /nfs/dbraw/zinc/13/20/94/673132094.db2.gz LQLYYVLWWWWQTO-QWHCGFSZSA-N 1 0 340.424 -1.051 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068912771 673132221 /nfs/dbraw/zinc/13/22/21/673132221.db2.gz LTIAOVATJLYCAO-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068912772 673132064 /nfs/dbraw/zinc/13/20/64/673132064.db2.gz LTIAOVATJLYCAO-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068912773 673132084 /nfs/dbraw/zinc/13/20/84/673132084.db2.gz LTIAOVATJLYCAO-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068912774 673132043 /nfs/dbraw/zinc/13/20/43/673132043.db2.gz LTIAOVATJLYCAO-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO CC[C@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068913546 673132149 /nfs/dbraw/zinc/13/21/49/673132149.db2.gz TUZKCLNWEYIEAF-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068913547 673132061 /nfs/dbraw/zinc/13/20/61/673132061.db2.gz TUZKCLNWEYIEAF-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO Cn1ncc(C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1 ZINC001068921153 673133414 /nfs/dbraw/zinc/13/34/14/673133414.db2.gz IDAUFWZONQFUOH-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1 ZINC001068921155 673133428 /nfs/dbraw/zinc/13/34/28/673133428.db2.gz IDAUFWZONQFUOH-NSHDSACASA-N 1 0 336.396 -1.134 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068934628 673134190 /nfs/dbraw/zinc/13/41/90/673134190.db2.gz BDINZRGVLISIOC-LLVKDONJSA-N 1 0 342.396 -2.074 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068934629 673134103 /nfs/dbraw/zinc/13/41/03/673134103.db2.gz BDINZRGVLISIOC-NSHDSACASA-N 1 0 342.396 -2.074 20 0 EAADRO CC[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1)[NH+](C)C ZINC001068934678 673134147 /nfs/dbraw/zinc/13/41/47/673134147.db2.gz CFBMUGDFUUXDTF-MNOVXSKESA-N 1 0 341.412 -1.519 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1)[NH+](C)C ZINC001068934679 673134286 /nfs/dbraw/zinc/13/42/86/673134286.db2.gz CFBMUGDFUUXDTF-QWRGUYRKSA-N 1 0 341.412 -1.519 20 0 EAADRO COCC(=O)N1CC2(C1)C[C@@H](NC(=O)COCC[NH+](C)C)CO2 ZINC001068934694 673134167 /nfs/dbraw/zinc/13/41/67/673134167.db2.gz CKMRWOXTAWFETD-GFCCVEGCSA-N 1 0 329.397 -1.303 20 0 EAADRO COCC(=O)N1CC2(C1)C[C@H](NC(=O)COCC[NH+](C)C)CO2 ZINC001068934695 673134159 /nfs/dbraw/zinc/13/41/59/673134159.db2.gz CKMRWOXTAWFETD-LBPRGKRZSA-N 1 0 329.397 -1.303 20 0 EAADRO CC[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1)[NH+](C)C ZINC001068934848 673134203 /nfs/dbraw/zinc/13/42/03/673134203.db2.gz GWAUXFLPISPRJL-NEPJUHHUSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1)[NH+](C)C ZINC001068934849 673134337 /nfs/dbraw/zinc/13/43/37/673134337.db2.gz GWAUXFLPISPRJL-RYUDHWBXSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1)[NH+](C)C ZINC001068935090 673134081 /nfs/dbraw/zinc/13/40/81/673134081.db2.gz LQLYYVLWWWWQTO-OLZOCXBDSA-N 1 0 340.424 -1.051 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1)[NH+](C)C ZINC001068935091 673134317 /nfs/dbraw/zinc/13/43/17/673134317.db2.gz LQLYYVLWWWWQTO-STQMWFEESA-N 1 0 340.424 -1.051 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068935144 673134114 /nfs/dbraw/zinc/13/41/14/673134114.db2.gz MKDPUCCOOFWGRW-JTQLQIEISA-N 1 0 328.369 -2.464 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068935145 673134455 /nfs/dbraw/zinc/13/44/55/673134455.db2.gz MKDPUCCOOFWGRW-SNVBAGLBSA-N 1 0 328.369 -2.464 20 0 EAADRO CC[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068935658 673134697 /nfs/dbraw/zinc/13/46/97/673134697.db2.gz TUZKCLNWEYIEAF-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068935660 673134609 /nfs/dbraw/zinc/13/46/09/673134609.db2.gz TUZKCLNWEYIEAF-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CO2 ZINC001068939282 673134402 /nfs/dbraw/zinc/13/44/02/673134402.db2.gz OHEDKAMKXMBRNN-NEPJUHHUSA-N 1 0 338.408 -1.297 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)CO2 ZINC001068939283 673134661 /nfs/dbraw/zinc/13/46/61/673134661.db2.gz OHEDKAMKXMBRNN-RYUDHWBXSA-N 1 0 338.408 -1.297 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1 ZINC001068940044 673134904 /nfs/dbraw/zinc/13/49/04/673134904.db2.gz JRFRYQWNWXASSO-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1 ZINC001068940046 673135064 /nfs/dbraw/zinc/13/50/64/673135064.db2.gz JRFRYQWNWXASSO-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(C)[C@H](C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068940109 673134957 /nfs/dbraw/zinc/13/49/57/673134957.db2.gz JYSITSSEZXICTL-BXUZGUMPSA-N 1 0 340.424 -1.066 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1)[NH+](C)C ZINC001068940112 673134963 /nfs/dbraw/zinc/13/49/63/673134963.db2.gz JYSITSSEZXICTL-SMDDNHRTSA-N 1 0 340.424 -1.066 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068940152 673134829 /nfs/dbraw/zinc/13/48/29/673134829.db2.gz KKXPVHQSTBKIMI-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068940155 673134987 /nfs/dbraw/zinc/13/49/87/673134987.db2.gz KKXPVHQSTBKIMI-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068940414 673135058 /nfs/dbraw/zinc/13/50/58/673135058.db2.gz XSHKXPWSDLLOCG-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068940415 673135093 /nfs/dbraw/zinc/13/50/93/673135093.db2.gz XSHKXPWSDLLOCG-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001068940632 673135011 /nfs/dbraw/zinc/13/50/11/673135011.db2.gz OVUNQNSPLIOZDT-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001068940633 673134922 /nfs/dbraw/zinc/13/49/22/673134922.db2.gz OVUNQNSPLIOZDT-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068940800 673134935 /nfs/dbraw/zinc/13/49/35/673134935.db2.gz QTKJKSYDAHOSMR-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068940801 673134893 /nfs/dbraw/zinc/13/48/93/673134893.db2.gz QTKJKSYDAHOSMR-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CC(C)[C@H](C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1)[NH+](C)C ZINC001068940939 673134947 /nfs/dbraw/zinc/13/49/47/673134947.db2.gz TXGSBQFCVQJUGL-GHMZBOCLSA-N 1 0 326.397 -1.456 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1)[NH+](C)C ZINC001068940946 673134818 /nfs/dbraw/zinc/13/48/18/673134818.db2.gz TXGSBQFCVQJUGL-WDEREUQCSA-N 1 0 326.397 -1.456 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068941155 673134999 /nfs/dbraw/zinc/13/49/99/673134999.db2.gz WFQHKQKWCAZHIL-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068941156 673134980 /nfs/dbraw/zinc/13/49/80/673134980.db2.gz WFQHKQKWCAZHIL-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCNC1=O)CO2 ZINC001068945098 673135357 /nfs/dbraw/zinc/13/53/57/673135357.db2.gz PBXJOYHYCCCSPU-NEPJUHHUSA-N 1 0 338.408 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCNC1=O)CO2 ZINC001068945099 673135385 /nfs/dbraw/zinc/13/53/85/673135385.db2.gz PBXJOYHYCCCSPU-NWDGAFQWSA-N 1 0 338.408 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCNC1=O)CO2 ZINC001068945101 673135219 /nfs/dbraw/zinc/13/52/19/673135219.db2.gz PBXJOYHYCCCSPU-RYUDHWBXSA-N 1 0 338.408 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCNC1=O)CO2 ZINC001068945102 673135345 /nfs/dbraw/zinc/13/53/45/673135345.db2.gz PBXJOYHYCCCSPU-VXGBXAGGSA-N 1 0 338.408 -1.440 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068948992 673135888 /nfs/dbraw/zinc/13/58/88/673135888.db2.gz ZYELLRZDVQBHSJ-NEPJUHHUSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068948993 673135797 /nfs/dbraw/zinc/13/57/97/673135797.db2.gz ZYELLRZDVQBHSJ-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068948994 673135590 /nfs/dbraw/zinc/13/55/90/673135590.db2.gz ZYELLRZDVQBHSJ-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068948995 673135658 /nfs/dbraw/zinc/13/56/58/673135658.db2.gz ZYELLRZDVQBHSJ-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1 ZINC001068965818 673136725 /nfs/dbraw/zinc/13/67/25/673136725.db2.gz RUACJHBMRLCKAU-JTQLQIEISA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1 ZINC001068965819 673136829 /nfs/dbraw/zinc/13/68/29/673136829.db2.gz RUACJHBMRLCKAU-SNVBAGLBSA-N 1 0 337.384 -1.739 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068988423 673138105 /nfs/dbraw/zinc/13/81/05/673138105.db2.gz DRDRRGDSTHDUOS-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001068988424 673138114 /nfs/dbraw/zinc/13/81/14/673138114.db2.gz DRDRRGDSTHDUOS-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001068988641 673138191 /nfs/dbraw/zinc/13/81/91/673138191.db2.gz GVCROEPRFOCFDB-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001068988642 673138242 /nfs/dbraw/zinc/13/82/42/673138242.db2.gz GVCROEPRFOCFDB-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CO2 ZINC001068989273 673138206 /nfs/dbraw/zinc/13/82/06/673138206.db2.gz NAKLGPAMABXBBL-LLVKDONJSA-N 1 0 349.391 -1.179 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CO2 ZINC001068989277 673138167 /nfs/dbraw/zinc/13/81/67/673138167.db2.gz NAKLGPAMABXBBL-NSHDSACASA-N 1 0 349.391 -1.179 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068989501 673138157 /nfs/dbraw/zinc/13/81/57/673138157.db2.gz PJKHKHHHSPIFDI-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001068989502 673138110 /nfs/dbraw/zinc/13/81/10/673138110.db2.gz PJKHKHHHSPIFDI-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001068989531 673138083 /nfs/dbraw/zinc/13/80/83/673138083.db2.gz QINUFVMZTIIPQT-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001068989532 673138132 /nfs/dbraw/zinc/13/81/32/673138132.db2.gz QINUFVMZTIIPQT-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)CC1 ZINC001068989549 673138150 /nfs/dbraw/zinc/13/81/50/673138150.db2.gz QWCZWWCMFYAAIR-LLVKDONJSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)CC1 ZINC001068989550 673138119 /nfs/dbraw/zinc/13/81/19/673138119.db2.gz QWCZWWCMFYAAIR-NSHDSACASA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001068990235 673138509 /nfs/dbraw/zinc/13/85/09/673138509.db2.gz YDUCNBDMCJHFSB-GHMZBOCLSA-N 1 0 339.396 -1.894 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001068990240 673138494 /nfs/dbraw/zinc/13/84/94/673138494.db2.gz YDUCNBDMCJHFSB-MNOVXSKESA-N 1 0 339.396 -1.894 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001068990242 673138514 /nfs/dbraw/zinc/13/85/14/673138514.db2.gz YDUCNBDMCJHFSB-QWRGUYRKSA-N 1 0 339.396 -1.894 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001068990244 673138541 /nfs/dbraw/zinc/13/85/41/673138541.db2.gz YDUCNBDMCJHFSB-WDEREUQCSA-N 1 0 339.396 -1.894 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068992024 673138592 /nfs/dbraw/zinc/13/85/92/673138592.db2.gz FAGLCISHBIWHOD-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068992026 673138890 /nfs/dbraw/zinc/13/88/90/673138890.db2.gz FAGLCISHBIWHOD-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO NC(=O)C(=O)N[C@H]1COC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001068992151 673138878 /nfs/dbraw/zinc/13/88/78/673138878.db2.gz GTKMAPWBJXKMOC-GFCCVEGCSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)C(=O)N[C@@H]1COC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001068992152 673138866 /nfs/dbraw/zinc/13/88/66/673138866.db2.gz GTKMAPWBJXKMOC-LBPRGKRZSA-N 1 0 338.408 -1.166 20 0 EAADRO C[N@H+](CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2)CC(C)(C)C ZINC001068992231 673138914 /nfs/dbraw/zinc/13/89/14/673138914.db2.gz HTVLETYHDLJGLE-LLVKDONJSA-N 1 0 340.424 -1.064 20 0 EAADRO C[N@H+](CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2)CC(C)(C)C ZINC001068992233 673138931 /nfs/dbraw/zinc/13/89/31/673138931.db2.gz HTVLETYHDLJGLE-NSHDSACASA-N 1 0 340.424 -1.064 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068992306 673138881 /nfs/dbraw/zinc/13/88/81/673138881.db2.gz IYSCQRRGYHSOBO-GHMZBOCLSA-N 1 0 344.387 -1.362 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068992307 673138905 /nfs/dbraw/zinc/13/89/05/673138905.db2.gz IYSCQRRGYHSOBO-MNOVXSKESA-N 1 0 344.387 -1.362 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068992308 673138919 /nfs/dbraw/zinc/13/89/19/673138919.db2.gz IYSCQRRGYHSOBO-QWRGUYRKSA-N 1 0 344.387 -1.362 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068992310 673138953 /nfs/dbraw/zinc/13/89/53/673138953.db2.gz IYSCQRRGYHSOBO-WDEREUQCSA-N 1 0 344.387 -1.362 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068993130 673139576 /nfs/dbraw/zinc/13/95/76/673139576.db2.gz SRXRUNHPAUUBNO-JTQLQIEISA-N 1 0 326.397 -1.312 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068993131 673139665 /nfs/dbraw/zinc/13/96/65/673139665.db2.gz SRXRUNHPAUUBNO-SNVBAGLBSA-N 1 0 326.397 -1.312 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068993536 673139594 /nfs/dbraw/zinc/13/95/94/673139594.db2.gz XOKXYCIZVZMUJH-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068993538 673139463 /nfs/dbraw/zinc/13/94/63/673139463.db2.gz XOKXYCIZVZMUJH-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068995295 673139935 /nfs/dbraw/zinc/13/99/35/673139935.db2.gz YHIQBZXDZPTRJH-JTQLQIEISA-N 1 0 328.369 -2.464 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068995297 673140023 /nfs/dbraw/zinc/14/00/23/673140023.db2.gz YHIQBZXDZPTRJH-SNVBAGLBSA-N 1 0 328.369 -2.464 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C1(C(N)=O)CC1)CO2 ZINC001069001075 673140155 /nfs/dbraw/zinc/14/01/55/673140155.db2.gz REXLGVBCRREYMZ-LLVKDONJSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C1(C(N)=O)CC1)CO2 ZINC001069001077 673140507 /nfs/dbraw/zinc/14/05/07/673140507.db2.gz REXLGVBCRREYMZ-NSHDSACASA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001069008105 673140845 /nfs/dbraw/zinc/14/08/45/673140845.db2.gz AINWMBOBGZBMLU-CHWSQXEVSA-N 1 0 341.408 -1.160 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001069008107 673141010 /nfs/dbraw/zinc/14/10/10/673141010.db2.gz AINWMBOBGZBMLU-OLZOCXBDSA-N 1 0 341.408 -1.160 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001069008109 673141147 /nfs/dbraw/zinc/14/11/47/673141147.db2.gz AINWMBOBGZBMLU-QWHCGFSZSA-N 1 0 341.408 -1.160 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001069008111 673141013 /nfs/dbraw/zinc/14/10/13/673141013.db2.gz AINWMBOBGZBMLU-STQMWFEESA-N 1 0 341.408 -1.160 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069008210 673141063 /nfs/dbraw/zinc/14/10/63/673141063.db2.gz CGXMINAGUUGRIR-AAEUAGOBSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069008211 673141041 /nfs/dbraw/zinc/14/10/41/673141041.db2.gz CGXMINAGUUGRIR-DGCLKSJQSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069008212 673141026 /nfs/dbraw/zinc/14/10/26/673141026.db2.gz CGXMINAGUUGRIR-WCQYABFASA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069008213 673141035 /nfs/dbraw/zinc/14/10/35/673141035.db2.gz CGXMINAGUUGRIR-YPMHNXCESA-N 1 0 340.424 -1.051 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001069008744 673141098 /nfs/dbraw/zinc/14/10/98/673141098.db2.gz IPWGNXVCHKMACJ-LLVKDONJSA-N 1 0 347.437 -1.531 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001069008745 673140984 /nfs/dbraw/zinc/14/09/84/673140984.db2.gz IPWGNXVCHKMACJ-NSHDSACASA-N 1 0 347.437 -1.531 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001069008829 673141001 /nfs/dbraw/zinc/14/10/01/673141001.db2.gz IZOVFKLPXTVDTJ-NWDGAFQWSA-N 1 0 338.408 -1.297 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001069008830 673141066 /nfs/dbraw/zinc/14/10/66/673141066.db2.gz IZOVFKLPXTVDTJ-VXGBXAGGSA-N 1 0 338.408 -1.297 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001069009056 673141159 /nfs/dbraw/zinc/14/11/59/673141159.db2.gz LIPXKZPRGWQZRC-LLVKDONJSA-N 1 0 337.384 -1.889 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001069009057 673141139 /nfs/dbraw/zinc/14/11/39/673141139.db2.gz LIPXKZPRGWQZRC-NSHDSACASA-N 1 0 337.384 -1.889 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001069009504 673141126 /nfs/dbraw/zinc/14/11/26/673141126.db2.gz QLQPWHRCXDQPKG-JTQLQIEISA-N 1 0 327.385 -1.908 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001069009505 673141135 /nfs/dbraw/zinc/14/11/35/673141135.db2.gz QLQPWHRCXDQPKG-SNVBAGLBSA-N 1 0 327.385 -1.908 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009652 673141117 /nfs/dbraw/zinc/14/11/17/673141117.db2.gz VEIMZAOFQDLTKN-CYBMUJFWSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009653 673141107 /nfs/dbraw/zinc/14/11/07/673141107.db2.gz VEIMZAOFQDLTKN-ZDUSSCGKSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009662 673141029 /nfs/dbraw/zinc/14/10/29/673141029.db2.gz VITAMTPMJVHMEG-GFCCVEGCSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009663 673141104 /nfs/dbraw/zinc/14/11/04/673141104.db2.gz VITAMTPMJVHMEG-LBPRGKRZSA-N 1 0 326.397 -1.440 20 0 EAADRO CCC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009700 673140977 /nfs/dbraw/zinc/14/09/77/673140977.db2.gz WNNHETFBOANFMQ-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009701 673141019 /nfs/dbraw/zinc/14/10/19/673141019.db2.gz WNNHETFBOANFMQ-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO COC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009748 673141004 /nfs/dbraw/zinc/14/10/04/673141004.db2.gz YFQPPBOYELJEPT-LLVKDONJSA-N 1 0 342.396 -1.220 20 0 EAADRO COC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069009749 673141100 /nfs/dbraw/zinc/14/11/00/673141100.db2.gz YFQPPBOYELJEPT-NSHDSACASA-N 1 0 342.396 -1.220 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012219 673141152 /nfs/dbraw/zinc/14/11/52/673141152.db2.gz AMNYGFIGYLYFDQ-NEPJUHHUSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012221 673141071 /nfs/dbraw/zinc/14/10/71/673141071.db2.gz AMNYGFIGYLYFDQ-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012222 673141016 /nfs/dbraw/zinc/14/10/16/673141016.db2.gz AMNYGFIGYLYFDQ-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012224 673141090 /nfs/dbraw/zinc/14/10/90/673141090.db2.gz AMNYGFIGYLYFDQ-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO CCNC(=O)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012350 673141123 /nfs/dbraw/zinc/14/11/23/673141123.db2.gz CJEORZSWWQQHHW-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012351 673141157 /nfs/dbraw/zinc/14/11/57/673141157.db2.gz CJEORZSWWQQHHW-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO Cn1ncc(C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)n1 ZINC001069012491 673141168 /nfs/dbraw/zinc/14/11/68/673141168.db2.gz FGDIIRXXJDKETP-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)n1 ZINC001069012492 673141007 /nfs/dbraw/zinc/14/10/07/673141007.db2.gz FGDIIRXXJDKETP-NSHDSACASA-N 1 0 336.396 -1.134 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001069012789 673141055 /nfs/dbraw/zinc/14/10/55/673141055.db2.gz HNXMRXFZLFYWPO-LLVKDONJSA-N 1 0 349.391 -1.179 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001069012790 673141149 /nfs/dbraw/zinc/14/11/49/673141149.db2.gz HNXMRXFZLFYWPO-NSHDSACASA-N 1 0 349.391 -1.179 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001069012924 673141068 /nfs/dbraw/zinc/14/10/68/673141068.db2.gz IZOVFKLPXTVDTJ-NEPJUHHUSA-N 1 0 338.408 -1.297 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001069012925 673141479 /nfs/dbraw/zinc/14/14/79/673141479.db2.gz IZOVFKLPXTVDTJ-RYUDHWBXSA-N 1 0 338.408 -1.297 20 0 EAADRO Cn1nncc1C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012932 673141301 /nfs/dbraw/zinc/14/13/01/673141301.db2.gz JBJCSMKDSIOKQQ-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1nncc1C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069012933 673141429 /nfs/dbraw/zinc/14/14/29/673141429.db2.gz JBJCSMKDSIOKQQ-NSHDSACASA-N 1 0 336.396 -1.134 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001069012950 673141489 /nfs/dbraw/zinc/14/14/89/673141489.db2.gz JNXKDVWFSLVOBJ-GHMZBOCLSA-N 1 0 339.396 -1.894 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001069012951 673141442 /nfs/dbraw/zinc/14/14/42/673141442.db2.gz JNXKDVWFSLVOBJ-MNOVXSKESA-N 1 0 339.396 -1.894 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001069012952 673141503 /nfs/dbraw/zinc/14/15/03/673141503.db2.gz JNXKDVWFSLVOBJ-QWRGUYRKSA-N 1 0 339.396 -1.894 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001069012954 673141476 /nfs/dbraw/zinc/14/14/76/673141476.db2.gz JNXKDVWFSLVOBJ-WDEREUQCSA-N 1 0 339.396 -1.894 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)nn1 ZINC001069012960 673141275 /nfs/dbraw/zinc/14/12/75/673141275.db2.gz JQTYKECXNPLJRF-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)nn1 ZINC001069012962 673141362 /nfs/dbraw/zinc/14/13/62/673141362.db2.gz JQTYKECXNPLJRF-NSHDSACASA-N 1 0 336.396 -1.134 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001069013074 673141514 /nfs/dbraw/zinc/14/15/14/673141514.db2.gz KCKQQMONOOVMSC-GFCCVEGCSA-N 1 0 336.396 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001069013075 673141426 /nfs/dbraw/zinc/14/14/26/673141426.db2.gz KCKQQMONOOVMSC-LBPRGKRZSA-N 1 0 336.396 -1.284 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013096 673141411 /nfs/dbraw/zinc/14/14/11/673141411.db2.gz KQIFYWDRDBRYDP-LLVKDONJSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013097 673141439 /nfs/dbraw/zinc/14/14/39/673141439.db2.gz KQIFYWDRDBRYDP-NSHDSACASA-N 1 0 326.397 -1.440 20 0 EAADRO Cn1nnc(C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)n1 ZINC001069013160 673141433 /nfs/dbraw/zinc/14/14/33/673141433.db2.gz LWSVJUSJKGBZAK-JTQLQIEISA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)n1 ZINC001069013161 673141464 /nfs/dbraw/zinc/14/14/64/673141464.db2.gz LWSVJUSJKGBZAK-SNVBAGLBSA-N 1 0 337.384 -1.739 20 0 EAADRO CNC(=O)NCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013415 673141487 /nfs/dbraw/zinc/14/14/87/673141487.db2.gz OPRMLVHBSCICRK-LLVKDONJSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013417 673141356 /nfs/dbraw/zinc/14/13/56/673141356.db2.gz OPRMLVHBSCICRK-NSHDSACASA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013590 673141436 /nfs/dbraw/zinc/14/14/36/673141436.db2.gz PVOPXDYMZFIYSZ-QWRGUYRKSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013591 673141472 /nfs/dbraw/zinc/14/14/72/673141472.db2.gz PVOPXDYMZFIYSZ-WDEREUQCSA-N 1 0 341.412 -1.519 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001069013866 673141399 /nfs/dbraw/zinc/14/13/99/673141399.db2.gz UBGBMHCMWHNCGE-LLVKDONJSA-N 1 0 337.384 -1.889 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001069013867 673141366 /nfs/dbraw/zinc/14/13/66/673141366.db2.gz UBGBMHCMWHNCGE-NSHDSACASA-N 1 0 337.384 -1.889 20 0 EAADRO Cn1cnc(C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)n1 ZINC001069014097 673141466 /nfs/dbraw/zinc/14/14/66/673141466.db2.gz WWHDPMIQGKEUDM-LLVKDONJSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)n1 ZINC001069014098 673141373 /nfs/dbraw/zinc/14/13/73/673141373.db2.gz WWHDPMIQGKEUDM-NSHDSACASA-N 1 0 336.396 -1.134 20 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ZINC001069014222 673141311 /nfs/dbraw/zinc/14/13/11/673141311.db2.gz ZJDQPJFHXZAQSH-MNOVXSKESA-N 1 0 340.380 -1.467 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001069014223 673141481 /nfs/dbraw/zinc/14/14/81/673141481.db2.gz ZJDQPJFHXZAQSH-QWRGUYRKSA-N 1 0 340.380 -1.467 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001069014224 673141318 /nfs/dbraw/zinc/14/13/18/673141318.db2.gz ZJDQPJFHXZAQSH-WDEREUQCSA-N 1 0 340.380 -1.467 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001069014255 673141512 /nfs/dbraw/zinc/14/15/12/673141512.db2.gz DWALHRAHUPUZLR-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001069014256 673141491 /nfs/dbraw/zinc/14/14/91/673141491.db2.gz DWALHRAHUPUZLR-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001069014546 673141462 /nfs/dbraw/zinc/14/14/62/673141462.db2.gz INLCOMBMSGBXBG-LLVKDONJSA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001069014547 673141505 /nfs/dbraw/zinc/14/15/05/673141505.db2.gz INLCOMBMSGBXBG-NSHDSACASA-N 1 0 338.408 -1.310 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001069014864 673141415 /nfs/dbraw/zinc/14/14/15/673141415.db2.gz MXHRPJXVDIEBQK-GFCCVEGCSA-N 1 0 336.396 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001069014867 673141444 /nfs/dbraw/zinc/14/14/44/673141444.db2.gz MXHRPJXVDIEBQK-LBPRGKRZSA-N 1 0 336.396 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001069015095 673141280 /nfs/dbraw/zinc/14/12/80/673141280.db2.gz PHLWVTRFRCHVNP-LLVKDONJSA-N 1 0 336.396 -1.215 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001069015096 673141483 /nfs/dbraw/zinc/14/14/83/673141483.db2.gz PHLWVTRFRCHVNP-NSHDSACASA-N 1 0 336.396 -1.215 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001069015288 673141303 /nfs/dbraw/zinc/14/13/03/673141303.db2.gz QKIVQKBCHIDXRJ-LLVKDONJSA-N 1 0 340.424 -1.064 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001069015289 673141516 /nfs/dbraw/zinc/14/15/16/673141516.db2.gz QKIVQKBCHIDXRJ-NSHDSACASA-N 1 0 340.424 -1.064 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001069015530 673141403 /nfs/dbraw/zinc/14/14/03/673141403.db2.gz SQNNPEPKSUYSFD-TUAOUCFPSA-N 1 0 338.408 -1.454 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001069015531 673141394 /nfs/dbraw/zinc/14/13/94/673141394.db2.gz SQNNPEPKSUYSFD-UTUOFQBUSA-N 1 0 338.408 -1.454 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015771 673141440 /nfs/dbraw/zinc/14/14/40/673141440.db2.gz WQJCZCATFPYMPL-GFCCVEGCSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015772 673141470 /nfs/dbraw/zinc/14/14/70/673141470.db2.gz WQJCZCATFPYMPL-LBPRGKRZSA-N 1 0 340.424 -1.098 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1 ZINC001069034740 673141815 /nfs/dbraw/zinc/14/18/15/673141815.db2.gz BEJIKURBEQBMMD-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CC(=O)NC)C2)C1 ZINC001069034742 673141699 /nfs/dbraw/zinc/14/16/99/673141699.db2.gz BEJIKURBEQBMMD-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001069035271 673141844 /nfs/dbraw/zinc/14/18/44/673141844.db2.gz HNRGNILLJSXJDJ-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001069035272 673141765 /nfs/dbraw/zinc/14/17/65/673141765.db2.gz HNRGNILLJSXJDJ-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001069035292 673141735 /nfs/dbraw/zinc/14/17/35/673141735.db2.gz HRZCJRWAXXMNRD-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001069035294 673141756 /nfs/dbraw/zinc/14/17/56/673141756.db2.gz HRZCJRWAXXMNRD-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001069036159 673141828 /nfs/dbraw/zinc/14/18/28/673141828.db2.gz WRDISRZWYMJXMY-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001069036160 673141891 /nfs/dbraw/zinc/14/18/91/673141891.db2.gz WRDISRZWYMJXMY-NSHDSACASA-N 1 0 341.412 -1.517 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)CO2 ZINC001069039203 673142116 /nfs/dbraw/zinc/14/21/16/673142116.db2.gz DABVDLPDHIZLPK-TUAOUCFPSA-N 1 0 338.408 -1.454 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)CO2 ZINC001069039205 673142068 /nfs/dbraw/zinc/14/20/68/673142068.db2.gz DABVDLPDHIZLPK-UTUOFQBUSA-N 1 0 338.408 -1.454 20 0 EAADRO C[N@H+](CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1)CC(C)(C)C ZINC001069039823 673142187 /nfs/dbraw/zinc/14/21/87/673142187.db2.gz JOIRKEFLBHYQKS-LLVKDONJSA-N 1 0 340.424 -1.064 20 0 EAADRO C[N@H+](CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1)CC(C)(C)C ZINC001069039824 673142209 /nfs/dbraw/zinc/14/22/09/673142209.db2.gz JOIRKEFLBHYQKS-NSHDSACASA-N 1 0 340.424 -1.064 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001069045929 673142582 /nfs/dbraw/zinc/14/25/82/673142582.db2.gz DTEISSHBGMAJGK-LLVKDONJSA-N 1 0 336.396 -1.215 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001069045930 673142602 /nfs/dbraw/zinc/14/26/02/673142602.db2.gz DTEISSHBGMAJGK-NSHDSACASA-N 1 0 336.396 -1.215 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cncn1)CO2 ZINC001069045951 673142382 /nfs/dbraw/zinc/14/23/82/673142382.db2.gz FNPSTLCIIUPLPV-GFCCVEGCSA-N 1 0 336.396 -1.284 20 0 EAADRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cncn1)CO2 ZINC001069045952 673142482 /nfs/dbraw/zinc/14/24/82/673142482.db2.gz FNPSTLCIIUPLPV-LBPRGKRZSA-N 1 0 336.396 -1.284 20 0 EAADRO CCC1(NC(=O)C(N)=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001069487072 673145078 /nfs/dbraw/zinc/14/50/78/673145078.db2.gz GGGLMEOPLCZTJP-UHFFFAOYSA-N 1 0 328.413 -1.063 20 0 EAADRO CCC1(NC(=O)COCC[NH+](C)C)CCN(C(=O)C(N)=O)CC1 ZINC001069574578 673145807 /nfs/dbraw/zinc/14/58/07/673145807.db2.gz WVQBUFDTRGMUIE-UHFFFAOYSA-N 1 0 328.413 -1.063 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001069763185 673147410 /nfs/dbraw/zinc/14/74/10/673147410.db2.gz HHQRVFFTRBUSCF-INIZCTEOSA-N 1 0 340.424 -1.109 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001069763186 673147377 /nfs/dbraw/zinc/14/73/77/673147377.db2.gz HHQRVFFTRBUSCF-MRXNPFEDSA-N 1 0 340.424 -1.109 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001069775476 673147373 /nfs/dbraw/zinc/14/73/73/673147373.db2.gz BBUQXLJSIOZICG-INIZCTEOSA-N 1 0 340.424 -1.109 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001069775477 673147336 /nfs/dbraw/zinc/14/73/36/673147336.db2.gz BBUQXLJSIOZICG-MRXNPFEDSA-N 1 0 340.424 -1.109 20 0 EAADRO O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@H]1COC(=O)N1 ZINC001069838823 673148171 /nfs/dbraw/zinc/14/81/71/673148171.db2.gz JCCDUZFBLMYSDN-CHWSQXEVSA-N 1 0 349.391 -1.033 20 0 EAADRO O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@@H]1COC(=O)N1 ZINC001069838824 673148074 /nfs/dbraw/zinc/14/80/74/673148074.db2.gz JCCDUZFBLMYSDN-OLZOCXBDSA-N 1 0 349.391 -1.033 20 0 EAADRO O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@H]1COC(=O)N1 ZINC001069838825 673148036 /nfs/dbraw/zinc/14/80/36/673148036.db2.gz JCCDUZFBLMYSDN-QWHCGFSZSA-N 1 0 349.391 -1.033 20 0 EAADRO O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@@H]1COC(=O)N1 ZINC001069838826 673148035 /nfs/dbraw/zinc/14/80/35/673148035.db2.gz JCCDUZFBLMYSDN-STQMWFEESA-N 1 0 349.391 -1.033 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3cn[nH]n3)n2)C1 ZINC001069839661 673148025 /nfs/dbraw/zinc/14/80/25/673148025.db2.gz FYROJLUKHPPTHV-LLVKDONJSA-N 1 0 344.379 -1.217 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3cn[nH]n3)n2)C1 ZINC001069839662 673148043 /nfs/dbraw/zinc/14/80/43/673148043.db2.gz FYROJLUKHPPTHV-NSHDSACASA-N 1 0 344.379 -1.217 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3nnc[nH]3)n2)C1 ZINC001069839827 673148155 /nfs/dbraw/zinc/14/81/55/673148155.db2.gz JQYACMNIPGYYFC-LLVKDONJSA-N 1 0 344.379 -1.217 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3nnc[nH]3)n2)C1 ZINC001069839828 673148091 /nfs/dbraw/zinc/14/80/91/673148091.db2.gz JQYACMNIPGYYFC-NSHDSACASA-N 1 0 344.379 -1.217 20 0 EAADRO O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@H]1CCNC1=O ZINC001069839829 673148032 /nfs/dbraw/zinc/14/80/32/673148032.db2.gz JRKOEVUOLRWXQL-KBPBESRZSA-N 1 0 347.419 -1.006 20 0 EAADRO O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@H]1CCNC1=O ZINC001069839830 673148016 /nfs/dbraw/zinc/14/80/16/673148016.db2.gz JRKOEVUOLRWXQL-KGLIPLIRSA-N 1 0 347.419 -1.006 20 0 EAADRO O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@@H]1CCNC1=O ZINC001069839831 673148189 /nfs/dbraw/zinc/14/81/89/673148189.db2.gz JRKOEVUOLRWXQL-UONOGXRCSA-N 1 0 347.419 -1.006 20 0 EAADRO O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@@H]1CCNC1=O ZINC001069839832 673148063 /nfs/dbraw/zinc/14/80/63/673148063.db2.gz JRKOEVUOLRWXQL-ZIAGYGMSSA-N 1 0 347.419 -1.006 20 0 EAADRO O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@H]1CNC(=O)N1 ZINC001069839903 673148008 /nfs/dbraw/zinc/14/80/08/673148008.db2.gz LQCAHDCRLOMHSR-CHWSQXEVSA-N 1 0 348.407 -1.460 20 0 EAADRO O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@@H]1CNC(=O)N1 ZINC001069839904 673148103 /nfs/dbraw/zinc/14/81/03/673148103.db2.gz LQCAHDCRLOMHSR-OLZOCXBDSA-N 1 0 348.407 -1.460 20 0 EAADRO O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@H]1CNC(=O)N1 ZINC001069839905 673148029 /nfs/dbraw/zinc/14/80/29/673148029.db2.gz LQCAHDCRLOMHSR-QWHCGFSZSA-N 1 0 348.407 -1.460 20 0 EAADRO O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@@H]1CNC(=O)N1 ZINC001069839906 673148075 /nfs/dbraw/zinc/14/80/75/673148075.db2.gz LQCAHDCRLOMHSR-STQMWFEESA-N 1 0 348.407 -1.460 20 0 EAADRO Cn1nnc(C(=O)NCc2cccc(N3CC[C@@H]([NH2+]CCO)C3)n2)n1 ZINC001069840145 673148080 /nfs/dbraw/zinc/14/80/80/673148080.db2.gz SCZAZGNMUWNJND-GFCCVEGCSA-N 1 0 346.395 -1.304 20 0 EAADRO Cn1nnc(C(=O)NCc2cccc(N3CC[C@H]([NH2+]CCO)C3)n2)n1 ZINC001069840146 673148098 /nfs/dbraw/zinc/14/80/98/673148098.db2.gz SCZAZGNMUWNJND-LBPRGKRZSA-N 1 0 346.395 -1.304 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001069840315 673148012 /nfs/dbraw/zinc/14/80/12/673148012.db2.gz XKIYIZQCLHJWLD-MCIONIFRSA-N 1 0 347.419 -1.020 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001069840316 673148118 /nfs/dbraw/zinc/14/81/18/673148118.db2.gz XKIYIZQCLHJWLD-MJBXVCDLSA-N 1 0 347.419 -1.020 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CN1CCNC(=O)C1)CC2 ZINC001069844654 673148018 /nfs/dbraw/zinc/14/80/18/673148018.db2.gz JVEUIWMGBTXWBX-GFCCVEGCSA-N 1 0 349.439 -1.360 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CN1CCNC(=O)C1)CC2 ZINC001069844655 673148038 /nfs/dbraw/zinc/14/80/38/673148038.db2.gz JVEUIWMGBTXWBX-LBPRGKRZSA-N 1 0 349.439 -1.360 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 ZINC001069844814 673147998 /nfs/dbraw/zinc/14/79/98/673147998.db2.gz NOGOHDQIURUITD-UWVGGRQHSA-N 1 0 349.395 -1.193 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 ZINC001069844815 673148099 /nfs/dbraw/zinc/14/80/99/673148099.db2.gz NOGOHDQIURUITD-ZJUUUORDSA-N 1 0 349.395 -1.193 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)Cn1ncn(C)c1=O)CC2 ZINC001069844964 673148089 /nfs/dbraw/zinc/14/80/89/673148089.db2.gz QXXNPBIRSKTGQP-LLVKDONJSA-N 1 0 348.411 -1.196 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)Cn1ncn(C)c1=O)CC2 ZINC001069844965 673148077 /nfs/dbraw/zinc/14/80/77/673148077.db2.gz QXXNPBIRSKTGQP-NSHDSACASA-N 1 0 348.411 -1.196 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 ZINC001069845496 673148180 /nfs/dbraw/zinc/14/81/80/673148180.db2.gz FFBHOQTUHSGZIE-JTQLQIEISA-N 1 0 349.395 -1.240 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 ZINC001069845497 673148066 /nfs/dbraw/zinc/14/80/66/673148066.db2.gz FFBHOQTUHSGZIE-SNVBAGLBSA-N 1 0 349.395 -1.240 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 ZINC001069845816 673148404 /nfs/dbraw/zinc/14/84/04/673148404.db2.gz NMBBYQIKBKDUGK-UWVGGRQHSA-N 1 0 349.395 -1.193 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 ZINC001069845817 673148438 /nfs/dbraw/zinc/14/84/38/673148438.db2.gz NMBBYQIKBKDUGK-ZJUUUORDSA-N 1 0 349.395 -1.193 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCc2nnc(C[NH2+]C[C@H]3CCOC3)n2CC1 ZINC001069846112 673148441 /nfs/dbraw/zinc/14/84/41/673148441.db2.gz UQBPSNZHMGUVFY-GHMZBOCLSA-N 1 0 336.396 -1.289 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCc2nnc(C[NH2+]C[C@H]3CCOC3)n2CC1 ZINC001069846113 673148494 /nfs/dbraw/zinc/14/84/94/673148494.db2.gz UQBPSNZHMGUVFY-MNOVXSKESA-N 1 0 336.396 -1.289 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCc2nnc(C[NH2+]C[C@@H]3CCOC3)n2CC1 ZINC001069846114 673148499 /nfs/dbraw/zinc/14/84/99/673148499.db2.gz UQBPSNZHMGUVFY-QWRGUYRKSA-N 1 0 336.396 -1.289 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCc2nnc(C[NH2+]C[C@@H]3CCOC3)n2CC1 ZINC001069846115 673148465 /nfs/dbraw/zinc/14/84/65/673148465.db2.gz UQBPSNZHMGUVFY-WDEREUQCSA-N 1 0 336.396 -1.289 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 ZINC001069846854 673148406 /nfs/dbraw/zinc/14/84/06/673148406.db2.gz NENIGCALHGWVTA-JTQLQIEISA-N 1 0 349.395 -1.240 20 0 EAADRO CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 ZINC001069846855 673148391 /nfs/dbraw/zinc/14/83/91/673148391.db2.gz NENIGCALHGWVTA-SNVBAGLBSA-N 1 0 349.395 -1.240 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 ZINC001069873742 673150620 /nfs/dbraw/zinc/15/06/20/673150620.db2.gz SBEZAYOLSSOKEY-AAEUAGOBSA-N 1 0 334.424 -1.002 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 ZINC001069873743 673150656 /nfs/dbraw/zinc/15/06/56/673150656.db2.gz SBEZAYOLSSOKEY-DGCLKSJQSA-N 1 0 334.424 -1.002 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 ZINC001069873744 673150576 /nfs/dbraw/zinc/15/05/76/673150576.db2.gz SBEZAYOLSSOKEY-WCQYABFASA-N 1 0 334.424 -1.002 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 ZINC001069873745 673150427 /nfs/dbraw/zinc/15/04/27/673150427.db2.gz SBEZAYOLSSOKEY-YPMHNXCESA-N 1 0 334.424 -1.002 20 0 EAADRO NC(=O)CN1CCn2ncc(CNC(=O)C34CC[NH+](CC3)C4)c2C1 ZINC001069881082 673150871 /nfs/dbraw/zinc/15/08/71/673150871.db2.gz LRXUVPONKVLVAR-UHFFFAOYSA-N 1 0 332.408 -1.104 20 0 EAADRO CCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001069885419 673151360 /nfs/dbraw/zinc/15/13/60/673151360.db2.gz HJIHYEKPHPXLHS-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001069885925 673151180 /nfs/dbraw/zinc/15/11/80/673151180.db2.gz DTZDMHWSYKSGGV-NEPJUHHUSA-N 1 0 335.368 -1.419 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)c1ccc(=O)[nH]n1 ZINC001069892627 673151307 /nfs/dbraw/zinc/15/13/07/673151307.db2.gz HOVBELZMOJNEQL-NEPJUHHUSA-N 1 0 333.352 -1.189 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069892701 673151191 /nfs/dbraw/zinc/15/11/91/673151191.db2.gz LHQKVPROHIRNKL-JLLWLGSASA-N 1 0 333.352 -1.190 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069892702 673151237 /nfs/dbraw/zinc/15/12/37/673151237.db2.gz LHQKVPROHIRNKL-WCQGTBRESA-N 1 0 333.352 -1.190 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894057 673151769 /nfs/dbraw/zinc/15/17/69/673151769.db2.gz DALOKYMJUQOLNW-TUAOUCFPSA-N 1 0 335.372 -1.659 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894058 673151811 /nfs/dbraw/zinc/15/18/11/673151811.db2.gz DALOKYMJUQOLNW-UTUOFQBUSA-N 1 0 335.372 -1.659 20 0 EAADRO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069894131 673151751 /nfs/dbraw/zinc/15/17/51/673151751.db2.gz HAABVXXJGVZGPP-OLZOCXBDSA-N 1 0 336.396 -1.376 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001069894611 673151764 /nfs/dbraw/zinc/15/17/64/673151764.db2.gz COUSVYNCBOQMNV-UPJWGTAASA-N 1 0 336.396 -1.377 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001069894612 673151633 /nfs/dbraw/zinc/15/16/33/673151633.db2.gz COUSVYNCBOQMNV-XQQFMLRXSA-N 1 0 336.396 -1.377 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001069894663 673151790 /nfs/dbraw/zinc/15/17/90/673151790.db2.gz FWLJTEXXSSWQFQ-UPJWGTAASA-N 1 0 347.383 -1.657 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001069894664 673151694 /nfs/dbraw/zinc/15/16/94/673151694.db2.gz FWLJTEXXSSWQFQ-XQQFMLRXSA-N 1 0 347.383 -1.657 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1)OC ZINC001069894815 673151822 /nfs/dbraw/zinc/15/18/22/673151822.db2.gz MQADZYVQOMFZKW-UPJWGTAASA-N 1 0 349.399 -1.269 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1)OC ZINC001069894816 673151679 /nfs/dbraw/zinc/15/16/79/673151679.db2.gz MQADZYVQOMFZKW-XQQFMLRXSA-N 1 0 349.399 -1.269 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069895030 673151724 /nfs/dbraw/zinc/15/17/24/673151724.db2.gz XIYMYYLBBFLPQL-TUAOUCFPSA-N 1 0 335.372 -1.659 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069895031 673151588 /nfs/dbraw/zinc/15/15/88/673151588.db2.gz XIYMYYLBBFLPQL-UTUOFQBUSA-N 1 0 335.372 -1.659 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[C@@H]1COCCO1 ZINC001069898797 673152066 /nfs/dbraw/zinc/15/20/66/673152066.db2.gz ZBPVGLPTGXCDDC-AGIUHOORSA-N 1 0 325.369 -1.583 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[C@H]1COCCO1 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CNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070087114 673176149 /nfs/dbraw/zinc/17/61/49/673176149.db2.gz FAOVQKHFWIDLAI-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070087115 673176187 /nfs/dbraw/zinc/17/61/87/673176187.db2.gz FAOVQKHFWIDLAI-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001070087275 673176025 /nfs/dbraw/zinc/17/60/25/673176025.db2.gz LQHZHMSYIAAWLH-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO CNC(=O)CC(=O)NC1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001070087485 673176076 /nfs/dbraw/zinc/17/60/76/673176076.db2.gz VLIPVPKZABOIAX-UHFFFAOYSA-N 1 0 340.424 -1.000 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001070088273 673176582 /nfs/dbraw/zinc/17/65/82/673176582.db2.gz KMPGQYYMVSNZLL-NSHDSACASA-N 1 0 343.428 -1.224 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070088929 673176561 /nfs/dbraw/zinc/17/65/61/673176561.db2.gz MQLCPTBHRSTNBW-MNOVXSKESA-N 1 0 349.395 -1.030 20 0 EAADRO Cn1nc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)ccc1=O ZINC001070089851 673176653 /nfs/dbraw/zinc/17/66/53/673176653.db2.gz BHMLYQQUEYFZJY-OLZOCXBDSA-N 1 0 347.379 -1.591 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070089953 673176549 /nfs/dbraw/zinc/17/65/49/673176549.db2.gz ICEJALOUZTURFW-RTXFEEFZSA-N 1 0 347.379 -1.592 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070089954 673176625 /nfs/dbraw/zinc/17/66/25/673176625.db2.gz ICEJALOUZTURFW-UHTWSYAYSA-N 1 0 347.379 -1.592 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070090212 673176404 /nfs/dbraw/zinc/17/64/04/673176404.db2.gz VYCWFJIZQVETPY-UPJWGTAASA-N 1 0 334.384 -1.054 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070090213 673176599 /nfs/dbraw/zinc/17/65/99/673176599.db2.gz VYCWFJIZQVETPY-XQQFMLRXSA-N 1 0 334.384 -1.054 20 0 EAADRO CCCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091260 673176985 /nfs/dbraw/zinc/17/69/85/673176985.db2.gz AITIIUNSICJCIA-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO CC(C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091321 673177137 /nfs/dbraw/zinc/17/71/37/673177137.db2.gz FGXGXNLUIBFUIS-NEPJUHHUSA-N 1 0 349.395 -1.173 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070091355 673176845 /nfs/dbraw/zinc/17/68/45/673176845.db2.gz HAXIHTSWXIEXSH-MCIONIFRSA-N 1 0 346.395 -1.052 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070091356 673176781 /nfs/dbraw/zinc/17/67/81/673176781.db2.gz HAXIHTSWXIEXSH-MJBXVCDLSA-N 1 0 346.395 -1.052 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070091374 673177130 /nfs/dbraw/zinc/17/71/30/673177130.db2.gz IFERYQOULRZLNW-NEPJUHHUSA-N 1 0 347.379 -1.419 20 0 EAADRO CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091537 673176945 /nfs/dbraw/zinc/17/69/45/673176945.db2.gz QRSJFBSHPUQJEY-MNOVXSKESA-N 1 0 335.368 -1.419 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070091600 673177099 /nfs/dbraw/zinc/17/70/99/673177099.db2.gz UYMLWXQCAOMJMV-UPJWGTAASA-N 1 0 334.384 -1.054 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070091601 673177018 /nfs/dbraw/zinc/17/70/18/673177018.db2.gz UYMLWXQCAOMJMV-XQQFMLRXSA-N 1 0 334.384 -1.054 20 0 EAADRO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091656 673177149 /nfs/dbraw/zinc/17/71/49/673177149.db2.gz ZGGAINZKCNTBPL-MNOVXSKESA-N 1 0 335.368 -1.420 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070092555 673176969 /nfs/dbraw/zinc/17/69/69/673176969.db2.gz FZBFYCRPBZAIFU-MNOVXSKESA-N 1 0 335.368 -1.467 20 0 EAADRO CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070092724 673177110 /nfs/dbraw/zinc/17/71/10/673177110.db2.gz PBLFHCCGYQMTNI-NEPJUHHUSA-N 1 0 349.395 -1.076 20 0 EAADRO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070092871 673177007 /nfs/dbraw/zinc/17/70/07/673177007.db2.gz XRKVNFJSUWPRBJ-NEPJUHHUSA-N 1 0 349.395 -1.078 20 0 EAADRO O=C(Cn1ccccc1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070093855 673177162 /nfs/dbraw/zinc/17/71/62/673177162.db2.gz KHPVURCOSJEKOC-KGLIPLIRSA-N 1 0 346.391 -1.136 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001070093935 673177055 /nfs/dbraw/zinc/17/70/55/673177055.db2.gz PIPKTCHKPPCXES-MCIONIFRSA-N 1 0 346.391 -1.138 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001070093936 673177081 /nfs/dbraw/zinc/17/70/81/673177081.db2.gz PIPKTCHKPPCXES-MJBXVCDLSA-N 1 0 346.391 -1.138 20 0 EAADRO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070094860 673177376 /nfs/dbraw/zinc/17/73/76/673177376.db2.gz IFDQAWYICFVBHC-MCIONIFRSA-N 1 0 349.439 -1.021 20 0 EAADRO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070094861 673177507 /nfs/dbraw/zinc/17/75/07/673177507.db2.gz IFDQAWYICFVBHC-RDBSUJKOSA-N 1 0 349.439 -1.021 20 0 EAADRO C[C@H](C(N)=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070095081 673177556 /nfs/dbraw/zinc/17/75/56/673177556.db2.gz UGXAULSMFLQSCX-UPJWGTAASA-N 1 0 335.412 -1.411 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070095082 673177560 /nfs/dbraw/zinc/17/75/60/673177560.db2.gz UGXAULSMFLQSCX-XQQFMLRXSA-N 1 0 335.412 -1.411 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070095092 673177533 /nfs/dbraw/zinc/17/75/33/673177533.db2.gz UTVYMKFBFRWLTM-MNOVXSKESA-N 1 0 333.352 -1.247 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096238 673177404 /nfs/dbraw/zinc/17/74/04/673177404.db2.gz PGGCDBTUHFFTQS-UPJWGTAASA-N 1 0 335.412 -1.683 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096239 673177525 /nfs/dbraw/zinc/17/75/25/673177525.db2.gz PGGCDBTUHFFTQS-XQQFMLRXSA-N 1 0 335.412 -1.683 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001070097058 673177468 /nfs/dbraw/zinc/17/74/68/673177468.db2.gz ABBVMLCHNOXBBN-BIMULSAOSA-N 1 0 347.379 -1.259 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001070097059 673177367 /nfs/dbraw/zinc/17/73/67/673177367.db2.gz ABBVMLCHNOXBBN-WQAKAFBOSA-N 1 0 347.379 -1.259 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)c[nH]1 ZINC001070097219 673177479 /nfs/dbraw/zinc/17/74/79/673177479.db2.gz HSOUCHSFNGYNIT-OLZOCXBDSA-N 1 0 347.379 -1.257 20 0 EAADRO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097537 673177540 /nfs/dbraw/zinc/17/75/40/673177540.db2.gz YVCWRRQQOXXHOG-MCIONIFRSA-N 1 0 349.439 -1.341 20 0 EAADRO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097538 673177457 /nfs/dbraw/zinc/17/74/57/673177457.db2.gz YVCWRRQQOXXHOG-MJBXVCDLSA-N 1 0 349.439 -1.341 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCOCC1 ZINC001070097593 673177510 /nfs/dbraw/zinc/17/75/10/673177510.db2.gz AQPUNWNBPJOURT-LLVKDONJSA-N 1 0 342.396 -1.172 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCOCC1 ZINC001070097594 673177426 /nfs/dbraw/zinc/17/74/26/673177426.db2.gz AQPUNWNBPJOURT-NSHDSACASA-N 1 0 342.396 -1.172 20 0 EAADRO CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098645 673177932 /nfs/dbraw/zinc/17/79/32/673177932.db2.gz KKXUSOQHZRVSGN-MCIONIFRSA-N 1 0 349.439 -1.150 20 0 EAADRO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098646 673178380 /nfs/dbraw/zinc/17/83/80/673178380.db2.gz KKXUSOQHZRVSGN-MJBXVCDLSA-N 1 0 349.439 -1.150 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098667 673178191 /nfs/dbraw/zinc/17/81/91/673178191.db2.gz LOUBFQXUKCWFAU-OLZOCXBDSA-N 1 0 335.412 -1.539 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098670 673178280 /nfs/dbraw/zinc/17/82/80/673178280.db2.gz LSZWLNINKAYHTE-AXFHLTTASA-N 1 0 328.398 -1.669 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098671 673178342 /nfs/dbraw/zinc/17/83/42/673178342.db2.gz LSZWLNINKAYHTE-MXWKQRLJSA-N 1 0 328.398 -1.669 20 0 EAADRO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098758 673178395 /nfs/dbraw/zinc/17/83/95/673178395.db2.gz QPOJCKNYNWHOHR-TUAOUCFPSA-N 1 0 342.425 -1.279 20 0 EAADRO CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098759 673178288 /nfs/dbraw/zinc/17/82/88/673178288.db2.gz QPOJCKNYNWHOHR-UTUOFQBUSA-N 1 0 342.425 -1.279 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070098780 673178328 /nfs/dbraw/zinc/17/83/28/673178328.db2.gz SKCMNFRMBDBWJQ-MCIONIFRSA-N 1 0 347.423 -1.396 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070098781 673178220 /nfs/dbraw/zinc/17/82/20/673178220.db2.gz SKCMNFRMBDBWJQ-RDBSUJKOSA-N 1 0 347.423 -1.396 20 0 EAADRO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098805 673178387 /nfs/dbraw/zinc/17/83/87/673178387.db2.gz UGRSGHPYZTWQHH-TUAOUCFPSA-N 1 0 342.425 -1.280 20 0 EAADRO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098806 673178258 /nfs/dbraw/zinc/17/82/58/673178258.db2.gz UGRSGHPYZTWQHH-UTUOFQBUSA-N 1 0 342.425 -1.280 20 0 EAADRO CN(C)C(=O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098914 673178200 /nfs/dbraw/zinc/17/82/00/673178200.db2.gz YSYRSOUKNMEYME-KGLIPLIRSA-N 1 0 349.439 -1.196 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070099646 673178233 /nfs/dbraw/zinc/17/82/33/673178233.db2.gz MUHNLJFXQDQCLM-HZSPNIEDSA-N 1 0 336.396 -1.113 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070099648 673178320 /nfs/dbraw/zinc/17/83/20/673178320.db2.gz MUHNLJFXQDQCLM-RDBSUJKOSA-N 1 0 336.396 -1.113 20 0 EAADRO CC(C)[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](n2ccnn2)C1 ZINC001070102298 673178703 /nfs/dbraw/zinc/17/87/03/673178703.db2.gz BMPGLYKBXZOTPV-PWSUYJOCSA-N 1 0 347.383 -1.581 20 0 EAADRO CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](n2ccnn2)C1 ZINC001070102521 673178801 /nfs/dbraw/zinc/17/88/01/673178801.db2.gz OYRFRYOVZHMHEI-PWSUYJOCSA-N 1 0 347.383 -1.580 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070102656 673178719 /nfs/dbraw/zinc/17/87/19/673178719.db2.gz USHAANUMKPSWKF-MCIONIFRSA-N 1 0 349.439 -1.021 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070102657 673178818 /nfs/dbraw/zinc/17/88/18/673178818.db2.gz USHAANUMKPSWKF-RDBSUJKOSA-N 1 0 349.439 -1.021 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)n(C)c1=O ZINC001070104859 673178947 /nfs/dbraw/zinc/17/89/47/673178947.db2.gz BJQKQJDFZXTKND-NEPJUHHUSA-N 1 0 349.395 -1.647 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070105414 673179469 /nfs/dbraw/zinc/17/94/69/673179469.db2.gz VYTBCMZGQPRKDK-TUAOUCFPSA-N 1 0 349.395 -1.649 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070105415 673179170 /nfs/dbraw/zinc/17/91/70/673179170.db2.gz VYTBCMZGQPRKDK-UTUOFQBUSA-N 1 0 349.395 -1.649 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070111294 673179666 /nfs/dbraw/zinc/17/96/66/673179666.db2.gz BWAHAEMHLDTGAX-OLZOCXBDSA-N 1 0 347.379 -1.763 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070111409 673179794 /nfs/dbraw/zinc/17/97/94/673179794.db2.gz HVZDLNAYSLMNNR-NEPJUHHUSA-N 1 0 349.395 -1.030 20 0 EAADRO COCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070112771 673179625 /nfs/dbraw/zinc/17/96/25/673179625.db2.gz QGYINYFHGSXOTP-OLZOCXBDSA-N 1 0 336.396 -1.112 20 0 EAADRO COCC(=O)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070113709 673179785 /nfs/dbraw/zinc/17/97/85/673179785.db2.gz KHRRZFLOVISMSO-AXFHLTTASA-N 1 0 336.352 -1.929 20 0 EAADRO COCC(=O)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070113710 673179613 /nfs/dbraw/zinc/17/96/13/673179613.db2.gz KHRRZFLOVISMSO-MXWKQRLJSA-N 1 0 336.352 -1.929 20 0 EAADRO CCC(=O)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070113790 673179765 /nfs/dbraw/zinc/17/97/65/673179765.db2.gz ORAGYJIPAVKYHC-MNOVXSKESA-N 1 0 335.368 -1.419 20 0 EAADRO COCC(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070113892 673179646 /nfs/dbraw/zinc/17/96/46/673179646.db2.gz TUUOXZJYNORHJG-NEPJUHHUSA-N 1 0 337.384 -1.709 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COC)C[C@@H]2n2ccnn2)C1=O ZINC001070113914 673179708 /nfs/dbraw/zinc/17/97/08/673179708.db2.gz VBNIYOJJGWKVER-UPJWGTAASA-N 1 0 336.396 -1.113 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COC)C[C@@H]2n2ccnn2)C1=O ZINC001070113915 673179992 /nfs/dbraw/zinc/17/99/92/673179992.db2.gz VBNIYOJJGWKVER-XQQFMLRXSA-N 1 0 336.396 -1.113 20 0 EAADRO COCC(=O)N1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070114031 673180227 /nfs/dbraw/zinc/18/02/27/673180227.db2.gz YSWPHJQTEPJXBI-UPJWGTAASA-N 1 0 336.396 -1.113 20 0 EAADRO COCC(=O)N1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070114032 673180267 /nfs/dbraw/zinc/18/02/67/673180267.db2.gz YSWPHJQTEPJXBI-XQQFMLRXSA-N 1 0 336.396 -1.113 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070114858 673180372 /nfs/dbraw/zinc/18/03/72/673180372.db2.gz JFHGLONRHGCUNW-BNOWGMLFSA-N 1 0 336.396 -1.113 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070114859 673180214 /nfs/dbraw/zinc/18/02/14/673180214.db2.gz JFHGLONRHGCUNW-YUTCNCBUSA-N 1 0 336.396 -1.113 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)[C@@H](n2ccnn2)C1 ZINC001070115015 673180309 /nfs/dbraw/zinc/18/03/09/673180309.db2.gz QRBQRKMQLYDXOU-OLZOCXBDSA-N 1 0 342.425 -1.325 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)CCNC(N)=O)CCOCC1 ZINC001070115321 673180335 /nfs/dbraw/zinc/18/03/35/673180335.db2.gz FNYXBXBCGUGICW-UHFFFAOYSA-N 1 0 343.428 -1.222 20 0 EAADRO O=C(C(F)F)N1C[C@@H]([NH2+]CCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070116032 673180347 /nfs/dbraw/zinc/18/03/47/673180347.db2.gz KBIXPYMNGYISDR-ZJUUUORDSA-N 1 0 343.338 -1.090 20 0 EAADRO O=C(C(F)F)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070116274 673180103 /nfs/dbraw/zinc/18/01/03/673180103.db2.gz VPLMVIPRKXRMOT-HLTSFMKQSA-N 1 0 342.306 -1.310 20 0 EAADRO O=C(C(F)F)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070116275 673180316 /nfs/dbraw/zinc/18/03/16/673180316.db2.gz VPLMVIPRKXRMOT-YIZRAAEISA-N 1 0 342.306 -1.310 20 0 EAADRO C[NH+]1CCC(CC(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC1 ZINC001070116382 673180328 /nfs/dbraw/zinc/18/03/28/673180328.db2.gz AOBBCWINRQQJQJ-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1)N1CCOCC1 ZINC001070117378 673180174 /nfs/dbraw/zinc/18/01/74/673180174.db2.gz CKPJQAXBEATIKV-KGLIPLIRSA-N 1 0 348.407 -1.112 20 0 EAADRO O=C(C1CC1)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070117865 673180654 /nfs/dbraw/zinc/18/06/54/673180654.db2.gz LIBWGJQFQKQPTQ-NEPJUHHUSA-N 1 0 347.379 -1.419 20 0 EAADRO O=C(C1CC1)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070118426 673180789 /nfs/dbraw/zinc/18/07/89/673180789.db2.gz UNOAJWHXIKJAOK-TUAOUCFPSA-N 1 0 332.364 -1.165 20 0 EAADRO O=C(C1CC1)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070118427 673180742 /nfs/dbraw/zinc/18/07/42/673180742.db2.gz UNOAJWHXIKJAOK-UTUOFQBUSA-N 1 0 332.364 -1.165 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070118805 673180664 /nfs/dbraw/zinc/18/06/64/673180664.db2.gz CZIDKVRLFVSBQN-RTXFEEFZSA-N 1 0 336.396 -1.080 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070118806 673180779 /nfs/dbraw/zinc/18/07/79/673180779.db2.gz CZIDKVRLFVSBQN-UHTWSYAYSA-N 1 0 336.396 -1.080 20 0 EAADRO O=C(C1CCOCC1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070119653 673180509 /nfs/dbraw/zinc/18/05/09/673180509.db2.gz XVKUANLMYZRHHA-MCIONIFRSA-N 1 0 348.407 -1.065 20 0 EAADRO O=C(C1CCOCC1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070119654 673180538 /nfs/dbraw/zinc/18/05/38/673180538.db2.gz XVKUANLMYZRHHA-MJBXVCDLSA-N 1 0 348.407 -1.065 20 0 EAADRO COCC(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070120332 673180600 /nfs/dbraw/zinc/18/06/00/673180600.db2.gz IOWDEAHKFVOSCT-OLZOCXBDSA-N 1 0 336.396 -1.112 20 0 EAADRO CCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070120415 673180724 /nfs/dbraw/zinc/18/07/24/673180724.db2.gz NSBDMJDKFSENNY-OLZOCXBDSA-N 1 0 336.396 -1.112 20 0 EAADRO CNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070122098 673180697 /nfs/dbraw/zinc/18/06/97/673180697.db2.gz LYLHYKHAILEPON-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070122099 673180646 /nfs/dbraw/zinc/18/06/46/673180646.db2.gz LYLHYKHAILEPON-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070122121 673180521 /nfs/dbraw/zinc/18/05/21/673180521.db2.gz MTVUYRKLBAQTEQ-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070122122 673180543 /nfs/dbraw/zinc/18/05/43/673180543.db2.gz MTVUYRKLBAQTEQ-ZDUSSCGKSA-N 1 0 340.424 -1.144 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC2(CNC(=O)CNC(N)=O)CCOCC2)C1 ZINC001070122443 673180530 /nfs/dbraw/zinc/18/05/30/673180530.db2.gz WXWXNQICFACBTB-LLVKDONJSA-N 1 0 341.412 -1.612 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC2(CNC(=O)CNC(N)=O)CCOCC2)C1 ZINC001070122444 673180570 /nfs/dbraw/zinc/18/05/70/673180570.db2.gz WXWXNQICFACBTB-NSHDSACASA-N 1 0 341.412 -1.612 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)C1 ZINC001070122483 673180769 /nfs/dbraw/zinc/18/07/69/673180769.db2.gz YHBOUMYLUIBEQH-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)C1 ZINC001070122484 673180677 /nfs/dbraw/zinc/18/06/77/673180677.db2.gz YHBOUMYLUIBEQH-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO CCCC(=O)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070122578 673180777 /nfs/dbraw/zinc/18/07/77/673180777.db2.gz BHDHFJLNYFTGPN-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO NC(=O)CC(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001070122939 673180488 /nfs/dbraw/zinc/18/04/88/673180488.db2.gz ADUPBMCTECKPEC-UHFFFAOYSA-N 1 0 326.397 -1.261 20 0 EAADRO CC(=O)NCC(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001070123299 673180625 /nfs/dbraw/zinc/18/06/25/673180625.db2.gz JWVJGDLTQDNNGV-UHFFFAOYSA-N 1 0 340.424 -1.000 20 0 EAADRO NC(=O)NCC(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001070123530 673181095 /nfs/dbraw/zinc/18/10/95/673181095.db2.gz RQSOPRQVAAKHOB-UHFFFAOYSA-N 1 0 341.412 -1.468 20 0 EAADRO CNC(=O)CC(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001070123582 673180868 /nfs/dbraw/zinc/18/08/68/673180868.db2.gz VAYCZZYXSLWGEO-UHFFFAOYSA-N 1 0 340.424 -1.000 20 0 EAADRO CC[NH+](CC)CC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070124995 673180855 /nfs/dbraw/zinc/18/08/55/673180855.db2.gz IUOUJDSNDLLWPF-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO CC[NH+](CC)CC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 ZINC001070125074 673181085 /nfs/dbraw/zinc/18/10/85/673181085.db2.gz LXVZQYKPQFHVFT-UHFFFAOYSA-N 1 0 343.428 -1.222 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)Cn2ncnn2)CCOCC1 ZINC001070126007 673181205 /nfs/dbraw/zinc/18/12/05/673181205.db2.gz AGWFYZACIYJMRU-UHFFFAOYSA-N 1 0 339.400 -1.594 20 0 EAADRO NC(=O)C(=O)NCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001070126264 673181246 /nfs/dbraw/zinc/18/12/46/673181246.db2.gz PLSDCAQBSXFMME-GFCCVEGCSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C(=O)NCC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001070126265 673181330 /nfs/dbraw/zinc/18/13/30/673181330.db2.gz PLSDCAQBSXFMME-LBPRGKRZSA-N 1 0 338.408 -1.405 20 0 EAADRO O=C(c1cnccn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070129844 673181653 /nfs/dbraw/zinc/18/16/53/673181653.db2.gz CUZBHWADMFSUNT-RTXFEEFZSA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(c1cnccn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070129845 673181742 /nfs/dbraw/zinc/18/17/42/673181742.db2.gz CUZBHWADMFSUNT-UHTWSYAYSA-N 1 0 342.363 -1.388 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070129894 673181683 /nfs/dbraw/zinc/18/16/83/673181683.db2.gz GAYBOJUWMZEEOJ-GDPRMGEGSA-N 1 0 346.351 -1.697 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070129895 673181869 /nfs/dbraw/zinc/18/18/69/673181869.db2.gz GAYBOJUWMZEEOJ-IEBDPFPHSA-N 1 0 346.351 -1.697 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070130119 673181674 /nfs/dbraw/zinc/18/16/74/673181674.db2.gz RXAXMUWXYCWBHQ-ZJUUUORDSA-N 1 0 332.324 -2.086 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070130162 673181774 /nfs/dbraw/zinc/18/17/74/673181774.db2.gz ULPIYTSKKZCAIL-JLLWLGSASA-N 1 0 330.352 -1.403 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070130163 673181755 /nfs/dbraw/zinc/18/17/55/673181755.db2.gz ULPIYTSKKZCAIL-WCQGTBRESA-N 1 0 330.352 -1.403 20 0 EAADRO Cc1cnc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070130993 673181797 /nfs/dbraw/zinc/18/17/97/673181797.db2.gz IPHGKXNUELTHDX-RTXFEEFZSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1cnc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070130994 673181886 /nfs/dbraw/zinc/18/18/86/673181886.db2.gz IPHGKXNUELTHDX-UHTWSYAYSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1cnc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070131030 673181782 /nfs/dbraw/zinc/18/17/82/673181782.db2.gz KYLMOTHZFBOFKV-NEPJUHHUSA-N 1 0 330.352 -1.483 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 ZINC001070132124 673181723 /nfs/dbraw/zinc/18/17/23/673181723.db2.gz MMAOFICCCLGTLY-BNOWGMLFSA-N 1 0 332.364 -1.052 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 ZINC001070132125 673181623 /nfs/dbraw/zinc/18/16/23/673181623.db2.gz MMAOFICCCLGTLY-YUTCNCBUSA-N 1 0 332.364 -1.052 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070132132 673181624 /nfs/dbraw/zinc/18/16/24/673181624.db2.gz MWGQFRLGKKKLQP-RTXFEEFZSA-N 1 0 345.363 -1.559 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070132133 673181715 /nfs/dbraw/zinc/18/17/15/673181715.db2.gz MWGQFRLGKKKLQP-UHTWSYAYSA-N 1 0 345.363 -1.559 20 0 EAADRO O=C(C1=COCCO1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070132225 673181764 /nfs/dbraw/zinc/18/17/64/673181764.db2.gz RFCMIXZJCCVXDG-TUAOUCFPSA-N 1 0 348.363 -1.604 20 0 EAADRO O=C(C1=COCCO1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070132226 673181659 /nfs/dbraw/zinc/18/16/59/673181659.db2.gz RFCMIXZJCCVXDG-UTUOFQBUSA-N 1 0 348.363 -1.604 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 ZINC001070132334 673181790 /nfs/dbraw/zinc/18/17/90/673181790.db2.gz XTERMWZQYUUHPB-NEPJUHHUSA-N 1 0 331.336 -1.948 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070132344 673181848 /nfs/dbraw/zinc/18/18/48/673181848.db2.gz YCJNXEXSFBIWES-AXFHLTTASA-N 1 0 336.352 -1.618 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070132345 673181708 /nfs/dbraw/zinc/18/17/08/673181708.db2.gz YCJNXEXSFBIWES-MXWKQRLJSA-N 1 0 336.352 -1.618 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)CC[N@@H+]1C ZINC001070132915 673182366 /nfs/dbraw/zinc/18/23/66/673182366.db2.gz XSAMZNRBOLXSBY-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070133263 673182418 /nfs/dbraw/zinc/18/24/18/673182418.db2.gz PDSKMEKWMYEUBI-JLLWLGSASA-N 1 0 333.352 -1.190 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070133264 673182275 /nfs/dbraw/zinc/18/22/75/673182275.db2.gz PDSKMEKWMYEUBI-WCQGTBRESA-N 1 0 333.352 -1.190 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC[N@@H+]1C ZINC001070133715 673182169 /nfs/dbraw/zinc/18/21/69/673182169.db2.gz MCSKODYJEAFAIQ-NWDGAFQWSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC[N@@H+]1C ZINC001070134004 673182258 /nfs/dbraw/zinc/18/22/58/673182258.db2.gz ZBPQBMPJTFQWBU-GHMZBOCLSA-N 1 0 326.397 -1.407 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070134094 673182318 /nfs/dbraw/zinc/18/23/18/673182318.db2.gz BYYYMJNRGKWYDV-RTXFEEFZSA-N 1 0 344.379 -1.013 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070134095 673182246 /nfs/dbraw/zinc/18/22/46/673182246.db2.gz BYYYMJNRGKWYDV-UHTWSYAYSA-N 1 0 344.379 -1.013 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070135816 673182228 /nfs/dbraw/zinc/18/22/28/673182228.db2.gz CSORMYDLXRLGDA-TUAOUCFPSA-N 1 0 349.395 -1.884 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070135817 673182208 /nfs/dbraw/zinc/18/22/08/673182208.db2.gz CSORMYDLXRLGDA-UTUOFQBUSA-N 1 0 349.395 -1.884 20 0 EAADRO Cc1nnsc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070135937 673182281 /nfs/dbraw/zinc/18/22/81/673182281.db2.gz JFFYYWQYHRNELM-BDAKNGLRSA-N 1 0 336.381 -1.421 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070136027 673182156 /nfs/dbraw/zinc/18/21/56/673182156.db2.gz LYRSITVTVYFBEC-UPJWGTAASA-N 1 0 344.379 -1.445 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070136028 673182372 /nfs/dbraw/zinc/18/23/72/673182372.db2.gz LYRSITVTVYFBEC-XQQFMLRXSA-N 1 0 344.379 -1.445 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070136030 673182193 /nfs/dbraw/zinc/18/21/93/673182193.db2.gz MBRXIKUDTXEYHK-MNOVXSKESA-N 1 0 335.368 -2.273 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070136289 673182239 /nfs/dbraw/zinc/18/22/39/673182239.db2.gz XXXFHVSSDSORLV-UPJWGTAASA-N 1 0 336.396 -1.377 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070136290 673182406 /nfs/dbraw/zinc/18/24/06/673182406.db2.gz XXXFHVSSDSORLV-XQQFMLRXSA-N 1 0 336.396 -1.377 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070136309 673182165 /nfs/dbraw/zinc/18/21/65/673182165.db2.gz ZMHSPYAZSLNZJB-JLLWLGSASA-N 1 0 332.368 -1.459 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070136310 673182337 /nfs/dbraw/zinc/18/23/37/673182337.db2.gz ZMHSPYAZSLNZJB-WCQGTBRESA-N 1 0 332.368 -1.459 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070137350 673182197 /nfs/dbraw/zinc/18/21/97/673182197.db2.gz DSPWUDUIGZHTDO-AEJSXWLSSA-N 1 0 334.344 -2.820 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070137351 673182226 /nfs/dbraw/zinc/18/22/26/673182226.db2.gz DSPWUDUIGZHTDO-BBBLOLIVSA-N 1 0 334.344 -2.820 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070137520 673182151 /nfs/dbraw/zinc/18/21/51/673182151.db2.gz MRWGTZGBHYJHRA-AXFHLTTASA-N 1 0 348.371 -2.430 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070137521 673182215 /nfs/dbraw/zinc/18/22/15/673182215.db2.gz MRWGTZGBHYJHRA-MXWKQRLJSA-N 1 0 348.371 -2.430 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070137537 673182148 /nfs/dbraw/zinc/18/21/48/673182148.db2.gz NONRXIBCTMWSQJ-UPJWGTAASA-N 1 0 346.395 -1.069 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070137538 673182174 /nfs/dbraw/zinc/18/21/74/673182174.db2.gz NONRXIBCTMWSQJ-XQQFMLRXSA-N 1 0 346.395 -1.069 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070137670 673182221 /nfs/dbraw/zinc/18/22/21/673182221.db2.gz UIDJQWNRGPFYHZ-UPJWGTAASA-N 1 0 347.383 -1.657 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070137671 673182179 /nfs/dbraw/zinc/18/21/79/673182179.db2.gz UIDJQWNRGPFYHZ-XQQFMLRXSA-N 1 0 347.383 -1.657 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070137757 673182356 /nfs/dbraw/zinc/18/23/56/673182356.db2.gz YOUAACPGMCTTKW-AXFHLTTASA-N 1 0 346.355 -2.805 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070137758 673182186 /nfs/dbraw/zinc/18/21/86/673182186.db2.gz YOUAACPGMCTTKW-MXWKQRLJSA-N 1 0 346.355 -2.805 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070138000 673182398 /nfs/dbraw/zinc/18/23/98/673182398.db2.gz JZLCIFRKNVPNSM-LLVKDONJSA-N 1 0 346.403 -1.067 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070138001 673182409 /nfs/dbraw/zinc/18/24/09/673182409.db2.gz JZLCIFRKNVPNSM-NSHDSACASA-N 1 0 346.403 -1.067 20 0 EAADRO O=C(Cn1cccn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070141391 673182842 /nfs/dbraw/zinc/18/28/42/673182842.db2.gz MGWIBBMFLDJEFX-UPJWGTAASA-N 1 0 344.379 -1.595 20 0 EAADRO O=C(Cn1cccn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070141392 673182704 /nfs/dbraw/zinc/18/27/04/673182704.db2.gz MGWIBBMFLDJEFX-XQQFMLRXSA-N 1 0 344.379 -1.595 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)cnn1C ZINC001070141416 673182733 /nfs/dbraw/zinc/18/27/33/673182733.db2.gz NGMINWQKVSSMTI-BIMULSAOSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)cnn1C ZINC001070141417 673182789 /nfs/dbraw/zinc/18/27/89/673182789.db2.gz NGMINWQKVSSMTI-WQAKAFBOSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cnn1C ZINC001070141453 673182714 /nfs/dbraw/zinc/18/27/14/673182714.db2.gz PBVPZSLOTUUYJE-NEPJUHHUSA-N 1 0 332.368 -1.539 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070141595 673182864 /nfs/dbraw/zinc/18/28/64/673182864.db2.gz RFEJWQKYZRDIMV-TUAOUCFPSA-N 1 0 332.368 -1.610 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070141596 673182746 /nfs/dbraw/zinc/18/27/46/673182746.db2.gz RFEJWQKYZRDIMV-UTUOFQBUSA-N 1 0 332.368 -1.610 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070141677 673182767 /nfs/dbraw/zinc/18/27/67/673182767.db2.gz WHQMPSKSGOUIGP-UPJWGTAASA-N 1 0 346.395 -1.220 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070141678 673182808 /nfs/dbraw/zinc/18/28/08/673182808.db2.gz WHQMPSKSGOUIGP-XQQFMLRXSA-N 1 0 346.395 -1.220 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070142002 673182845 /nfs/dbraw/zinc/18/28/45/673182845.db2.gz BVUYXSOXQIBPTB-TUAOUCFPSA-N 1 0 347.383 -1.825 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070142003 673182816 /nfs/dbraw/zinc/18/28/16/673182816.db2.gz BVUYXSOXQIBPTB-UTUOFQBUSA-N 1 0 347.383 -1.825 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001070142119 673182798 /nfs/dbraw/zinc/18/27/98/673182798.db2.gz IRUWRDDXGMDOLG-UPJWGTAASA-N 1 0 334.384 -1.318 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001070142120 673182721 /nfs/dbraw/zinc/18/27/21/673182721.db2.gz IRUWRDDXGMDOLG-XQQFMLRXSA-N 1 0 334.384 -1.318 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001070142342 673182800 /nfs/dbraw/zinc/18/28/00/673182800.db2.gz TWECRDANJCGGEL-MNOVXSKESA-N 1 0 333.356 -2.213 20 0 EAADRO CNC(=O)NCC(=O)NC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001070143116 673183204 /nfs/dbraw/zinc/18/32/04/673183204.db2.gz WHILKVMYYPMBNX-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 ZINC001070143926 673183161 /nfs/dbraw/zinc/18/31/61/673183161.db2.gz AOSBSZMLFRWGFU-UHFFFAOYSA-N 1 0 343.428 -1.224 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070144181 673183206 /nfs/dbraw/zinc/18/32/06/673183206.db2.gz XROSUMURBTUBLO-UHFFFAOYSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(C)C(=O)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070144211 673183252 /nfs/dbraw/zinc/18/32/52/673183252.db2.gz AQLDIDXGACNGBZ-NEPJUHHUSA-N 1 0 349.395 -1.173 20 0 EAADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070144490 673183109 /nfs/dbraw/zinc/18/31/09/673183109.db2.gz LDHZSNALUMTPMR-NEPJUHHUSA-N 1 0 332.368 -1.296 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070144741 673183186 /nfs/dbraw/zinc/18/31/86/673183186.db2.gz PCJSCUWFYUTUQC-UPJWGTAASA-N 1 0 346.395 -1.220 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070144742 673183152 /nfs/dbraw/zinc/18/31/52/673183152.db2.gz PCJSCUWFYUTUQC-XQQFMLRXSA-N 1 0 346.395 -1.220 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001070145147 671886712 /nfs/dbraw/zinc/88/67/12/671886712.db2.gz UIBKDLWBTKQDKF-NEPJUHHUSA-N 1 0 332.368 -1.608 20 0 EAADRO Cc1ncncc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070146757 671886775 /nfs/dbraw/zinc/88/67/75/671886775.db2.gz DTYJXCJFQYYJFG-NEPJUHHUSA-N 1 0 330.352 -1.483 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070146942 671886943 /nfs/dbraw/zinc/88/69/43/671886943.db2.gz MNCSSQYDFWSIMR-HLTSFMKQSA-N 1 0 336.381 -1.341 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070146943 671886428 /nfs/dbraw/zinc/88/64/28/671886428.db2.gz MNCSSQYDFWSIMR-YIZRAAEISA-N 1 0 336.381 -1.341 20 0 EAADRO O=C(c1cc[nH]n1)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070147025 671886463 /nfs/dbraw/zinc/88/64/63/671886463.db2.gz PZSZBXOISUHUTJ-RTXFEEFZSA-N 1 0 344.379 -1.065 20 0 EAADRO O=C(c1cc[nH]n1)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070147026 671886749 /nfs/dbraw/zinc/88/67/49/671886749.db2.gz PZSZBXOISUHUTJ-UHTWSYAYSA-N 1 0 344.379 -1.065 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070147081 671886866 /nfs/dbraw/zinc/88/68/66/671886866.db2.gz RVISZODDZLENSQ-OLZOCXBDSA-N 1 0 344.379 -1.111 20 0 EAADRO Cc1ncncc1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070147171 671886932 /nfs/dbraw/zinc/88/69/32/671886932.db2.gz WOBXYYWASBTBNO-RTXFEEFZSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1ncncc1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070147172 671886560 /nfs/dbraw/zinc/88/65/60/671886560.db2.gz WOBXYYWASBTBNO-UHTWSYAYSA-N 1 0 344.379 -1.094 20 0 EAADRO O=C(c1cc[nH]n1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070147217 671886588 /nfs/dbraw/zinc/88/65/88/671886588.db2.gz YBSGZHQBFKCJDU-JLLWLGSASA-N 1 0 330.352 -1.455 20 0 EAADRO O=C(c1cc[nH]n1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070147218 671886667 /nfs/dbraw/zinc/88/66/67/671886667.db2.gz YBSGZHQBFKCJDU-WCQGTBRESA-N 1 0 330.352 -1.455 20 0 EAADRO O=C(c1cn[nH]c1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070147864 671886904 /nfs/dbraw/zinc/88/69/04/671886904.db2.gz AECNTDPGPYCNAO-TUAOUCFPSA-N 1 0 330.352 -1.455 20 0 EAADRO O=C(c1cn[nH]c1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070147865 671886437 /nfs/dbraw/zinc/88/64/37/671886437.db2.gz AECNTDPGPYCNAO-UTUOFQBUSA-N 1 0 330.352 -1.455 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070147943 671886580 /nfs/dbraw/zinc/88/65/80/671886580.db2.gz FGSGJZQWPFEVKJ-OLZOCXBDSA-N 1 0 344.379 -1.111 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070147966 671886505 /nfs/dbraw/zinc/88/65/05/671886505.db2.gz GLDQHDYTFHBZFE-QNSHHTMESA-N 1 0 336.381 -1.341 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070147967 671886852 /nfs/dbraw/zinc/88/68/52/671886852.db2.gz GLDQHDYTFHBZFE-SFGNSQDASA-N 1 0 336.381 -1.341 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070147972 671886993 /nfs/dbraw/zinc/88/69/93/671886993.db2.gz GPPBXRHULMPEFD-TUAOUCFPSA-N 1 0 332.368 -1.080 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070147973 671886799 /nfs/dbraw/zinc/88/67/99/671886799.db2.gz GPPBXRHULMPEFD-UTUOFQBUSA-N 1 0 332.368 -1.080 20 0 EAADRO O=C(c1cn[nH]c1)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070148199 671887498 /nfs/dbraw/zinc/88/74/98/671887498.db2.gz RNIHUIQUYWMMRO-UPJWGTAASA-N 1 0 344.379 -1.065 20 0 EAADRO O=C(c1cn[nH]c1)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070148200 671887607 /nfs/dbraw/zinc/88/76/07/671887607.db2.gz RNIHUIQUYWMMRO-XQQFMLRXSA-N 1 0 344.379 -1.065 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2n2ccnn2)C1=O ZINC001070148230 671887367 /nfs/dbraw/zinc/88/73/67/671887367.db2.gz SRHAQXLCHVVINJ-UPJWGTAASA-N 1 0 344.379 -1.113 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2n2ccnn2)C1=O ZINC001070148231 671887570 /nfs/dbraw/zinc/88/75/70/671887570.db2.gz SRHAQXLCHVVINJ-XQQFMLRXSA-N 1 0 344.379 -1.113 20 0 EAADRO O=C(c1cn[nH]c1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070148249 671887529 /nfs/dbraw/zinc/88/75/29/671887529.db2.gz UGTSQQPAFKGQFA-OLZOCXBDSA-N 1 0 342.367 -1.052 20 0 EAADRO O=C(c1cnsn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070148320 671887247 /nfs/dbraw/zinc/88/72/47/671887247.db2.gz YEHYHTPFGXRIKJ-GDPRMGEGSA-N 1 0 348.392 -1.327 20 0 EAADRO O=C(c1cnsn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070148321 671887466 /nfs/dbraw/zinc/88/74/66/671887466.db2.gz YEHYHTPFGXRIKJ-IEBDPFPHSA-N 1 0 348.392 -1.327 20 0 EAADRO C[N@H+](CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1)C1CCC1 ZINC001070148689 671887416 /nfs/dbraw/zinc/88/74/16/671887416.db2.gz QHSLOULQQLBFHD-UHFFFAOYSA-N 1 0 326.397 -1.262 20 0 EAADRO O=C(c1ccon1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070149020 671887117 /nfs/dbraw/zinc/88/71/17/671887117.db2.gz KDNHRVUGLDOIFD-JLLWLGSASA-N 1 0 331.336 -1.190 20 0 EAADRO O=C(c1ccon1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070149021 671887153 /nfs/dbraw/zinc/88/71/53/671887153.db2.gz KDNHRVUGLDOIFD-WCQGTBRESA-N 1 0 331.336 -1.190 20 0 EAADRO O=C(c1cnns1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070149108 671887106 /nfs/dbraw/zinc/88/71/06/671887106.db2.gz OMNQFNOHMUQRDZ-AEJSXWLSSA-N 1 0 348.392 -1.327 20 0 EAADRO O=C(c1cnns1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070149109 671887095 /nfs/dbraw/zinc/88/70/95/671887095.db2.gz OMNQFNOHMUQRDZ-BBBLOLIVSA-N 1 0 348.392 -1.327 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nn1C ZINC001070150168 671887456 /nfs/dbraw/zinc/88/74/56/671887456.db2.gz CMGLARQYPNVBPC-RTXFEEFZSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nn1C ZINC001070150169 671887594 /nfs/dbraw/zinc/88/75/94/671887594.db2.gz CMGLARQYPNVBPC-UHTWSYAYSA-N 1 0 346.395 -1.151 20 0 EAADRO CO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070150273 671887394 /nfs/dbraw/zinc/88/73/94/671887394.db2.gz GSDGGQNHPDKJFT-UPJWGTAASA-N 1 0 334.384 -1.054 20 0 EAADRO CO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070150274 671887205 /nfs/dbraw/zinc/88/72/05/671887205.db2.gz GSDGGQNHPDKJFT-XQQFMLRXSA-N 1 0 334.384 -1.054 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070150376 671887279 /nfs/dbraw/zinc/88/72/79/671887279.db2.gz KISOGLWVZDMCLN-JLLWLGSASA-N 1 0 332.368 -1.161 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070150377 671887512 /nfs/dbraw/zinc/88/75/12/671887512.db2.gz KISOGLWVZDMCLN-WCQGTBRESA-N 1 0 332.368 -1.161 20 0 EAADRO CO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070150387 671887647 /nfs/dbraw/zinc/88/76/47/671887647.db2.gz KUTVNZWROYRROC-UPJWGTAASA-N 1 0 336.396 -1.113 20 0 EAADRO CO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070150388 671887402 /nfs/dbraw/zinc/88/74/02/671887402.db2.gz KUTVNZWROYRROC-XQQFMLRXSA-N 1 0 336.396 -1.113 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070150751 671887182 /nfs/dbraw/zinc/88/71/82/671887182.db2.gz YPUPNTPFHVMFDX-RTXFEEFZSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070150752 671887543 /nfs/dbraw/zinc/88/75/43/671887543.db2.gz YPUPNTPFHVMFDX-UHTWSYAYSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1 ZINC001070151734 671887320 /nfs/dbraw/zinc/88/73/20/671887320.db2.gz HTNNOCMKQUXAPP-NEPJUHHUSA-N 1 0 332.368 -1.690 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)c1 ZINC001070151988 671888186 /nfs/dbraw/zinc/88/81/86/671888186.db2.gz KVRWDWHXJLIOAW-UPJWGTAASA-N 1 0 346.395 -1.301 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)c1 ZINC001070151989 671888204 /nfs/dbraw/zinc/88/82/04/671888204.db2.gz KVRWDWHXJLIOAW-XQQFMLRXSA-N 1 0 346.395 -1.301 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n(C)n1 ZINC001070151995 671888235 /nfs/dbraw/zinc/88/82/35/671888235.db2.gz LEINOYSCJLOTJU-LOWVWBTDSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n(C)n1 ZINC001070151996 671888110 /nfs/dbraw/zinc/88/81/10/671888110.db2.gz LEINOYSCJLOTJU-WZRBSPASSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1C ZINC001070152038 671887792 /nfs/dbraw/zinc/88/77/92/671887792.db2.gz MVFXULKUOOHHBC-NEPJUHHUSA-N 1 0 332.368 -1.539 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n(C)n1 ZINC001070152382 671888090 /nfs/dbraw/zinc/88/80/90/671888090.db2.gz SYBKSCQERXETNI-PWSUYJOCSA-N 1 0 332.368 -1.539 20 0 EAADRO O=C(c1cc[nH]n1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070153078 671888073 /nfs/dbraw/zinc/88/80/73/671888073.db2.gz DLXAGKNXBHSFOT-OLZOCXBDSA-N 1 0 342.367 -1.052 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070153082 671887828 /nfs/dbraw/zinc/88/78/28/671887828.db2.gz DORUYOUBQNQBDG-JLLWLGSASA-N 1 0 332.368 -1.080 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070153083 671888140 /nfs/dbraw/zinc/88/81/40/671888140.db2.gz DORUYOUBQNQBDG-WCQGTBRESA-N 1 0 332.368 -1.080 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001070153244 671888121 /nfs/dbraw/zinc/88/81/21/671888121.db2.gz NCBNFWNPSWUURM-AXFHLTTASA-N 1 0 331.398 -1.955 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001070153245 671888056 /nfs/dbraw/zinc/88/80/56/671888056.db2.gz NCBNFWNPSWUURM-MXWKQRLJSA-N 1 0 331.398 -1.955 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070153301 671887928 /nfs/dbraw/zinc/88/79/28/671887928.db2.gz QIZAMSJBWIXWEE-AEJSXWLSSA-N 1 0 344.397 -2.462 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070153302 671888128 /nfs/dbraw/zinc/88/81/28/671888128.db2.gz QIZAMSJBWIXWEE-BBBLOLIVSA-N 1 0 344.397 -2.462 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2n2ccnn2)C1=O ZINC001070153491 671887906 /nfs/dbraw/zinc/88/79/06/671887906.db2.gz WSTVLJXZRMUVKR-RTXFEEFZSA-N 1 0 344.379 -1.113 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2n2ccnn2)C1=O ZINC001070153492 671887805 /nfs/dbraw/zinc/88/78/05/671887805.db2.gz WSTVLJXZRMUVKR-UHTWSYAYSA-N 1 0 344.379 -1.113 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cccn1 ZINC001070154933 671887952 /nfs/dbraw/zinc/88/79/52/671887952.db2.gz FLKRZZNZQJQRJS-TUAOUCFPSA-N 1 0 332.368 -1.437 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cccn1 ZINC001070154934 671887945 /nfs/dbraw/zinc/88/79/45/671887945.db2.gz FLKRZZNZQJQRJS-UTUOFQBUSA-N 1 0 332.368 -1.437 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070154944 671888063 /nfs/dbraw/zinc/88/80/63/671888063.db2.gz HLBCURSYDGFRNR-BNOWGMLFSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070154945 671888163 /nfs/dbraw/zinc/88/81/63/671888163.db2.gz HLBCURSYDGFRNR-YUTCNCBUSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070154982 671887872 /nfs/dbraw/zinc/88/78/72/671887872.db2.gz LGXQQTKZSVUNMR-RTXFEEFZSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070154983 671888044 /nfs/dbraw/zinc/88/80/44/671888044.db2.gz LGXQQTKZSVUNMR-UHTWSYAYSA-N 1 0 346.395 -1.530 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070155108 671887996 /nfs/dbraw/zinc/88/79/96/671887996.db2.gz WQEBPCVCIFAXHP-NEPJUHHUSA-N 1 0 332.368 -1.919 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070155801 671887784 /nfs/dbraw/zinc/88/77/84/671887784.db2.gz DFWBYMWZYBNIRH-LOWVWBTDSA-N 1 0 346.395 -1.069 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070155802 671888249 /nfs/dbraw/zinc/88/82/49/671888249.db2.gz DFWBYMWZYBNIRH-WZRBSPASSA-N 1 0 346.395 -1.069 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1n1ccnn1 ZINC001070156006 671888267 /nfs/dbraw/zinc/88/82/67/671888267.db2.gz MWSHGEPVBHHWJQ-MNOVXSKESA-N 1 0 333.327 -1.047 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070156255 671887741 /nfs/dbraw/zinc/88/77/41/671887741.db2.gz YADUYGXKXWKPKU-FOGDFJRCSA-N 1 0 332.368 -1.459 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070156256 671888280 /nfs/dbraw/zinc/88/82/80/671888280.db2.gz YADUYGXKXWKPKU-UMNHJUIQSA-N 1 0 332.368 -1.459 20 0 EAADRO CC[C@H](C(=O)NC1(CNC(=O)CC(N)=O)CCOCC1)[NH+](C)C ZINC001070156372 671888894 /nfs/dbraw/zinc/88/88/94/671888894.db2.gz CXNJQHSTIWQKID-LLVKDONJSA-N 1 0 328.413 -1.016 20 0 EAADRO CC[C@H](C(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1)[NH+](C)C ZINC001070156740 671888939 /nfs/dbraw/zinc/88/89/39/671888939.db2.gz UNGYZIBHYNIHLQ-LLVKDONJSA-N 1 0 343.428 -1.224 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070157149 671888580 /nfs/dbraw/zinc/88/85/80/671888580.db2.gz LMCUMGCHHJINSH-AXTRIDKLSA-N 1 0 332.368 -1.161 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070157150 671888952 /nfs/dbraw/zinc/88/89/52/671888952.db2.gz LMCUMGCHHJINSH-FXAINCCUSA-N 1 0 332.368 -1.161 20 0 EAADRO Cn1nccc1C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070157435 671888698 /nfs/dbraw/zinc/88/86/98/671888698.db2.gz XLNYPSJOAGDFSM-LOWVWBTDSA-N 1 0 344.379 -1.445 20 0 EAADRO Cn1nccc1C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070157436 671888503 /nfs/dbraw/zinc/88/85/03/671888503.db2.gz XLNYPSJOAGDFSM-WZRBSPASSA-N 1 0 344.379 -1.445 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1n1ccnn1 ZINC001070157472 671888856 /nfs/dbraw/zinc/88/88/56/671888856.db2.gz YZIPYDCMBJGNNU-MNOVXSKESA-N 1 0 333.327 -1.047 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070158633 671888778 /nfs/dbraw/zinc/88/87/78/671888778.db2.gz SSLKCZCDHUWVCR-MCIONIFRSA-N 1 0 348.407 -1.112 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070158634 671888399 /nfs/dbraw/zinc/88/83/99/671888399.db2.gz SSLKCZCDHUWVCR-MJBXVCDLSA-N 1 0 348.407 -1.112 20 0 EAADRO O=C(c1cocn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070158680 671888559 /nfs/dbraw/zinc/88/85/59/671888559.db2.gz URURVOZCNBMEAO-FOGDFJRCSA-N 1 0 331.336 -1.190 20 0 EAADRO O=C(c1cocn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070158683 671888385 /nfs/dbraw/zinc/88/83/85/671888385.db2.gz URURVOZCNBMEAO-UMNHJUIQSA-N 1 0 331.336 -1.190 20 0 EAADRO C[NH+]1CCC(C(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)CC1 ZINC001070159005 671888366 /nfs/dbraw/zinc/88/83/66/671888366.db2.gz JRGHQMFKFZIZBX-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[NH+]1CCC(C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC1 ZINC001070159146 671888836 /nfs/dbraw/zinc/88/88/36/671888836.db2.gz QOSRHHZEJPDYCX-UHFFFAOYSA-N 1 0 326.397 -1.405 20 0 EAADRO O=C([C@@H]1CCOC1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070159423 671889443 /nfs/dbraw/zinc/88/94/43/671889443.db2.gz BZHSQDVABGXXPE-MCIONIFRSA-N 1 0 346.395 -1.052 20 0 EAADRO O=C([C@H]1CCOC1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070159424 671889534 /nfs/dbraw/zinc/88/95/34/671889534.db2.gz BZHSQDVABGXXPE-MJBXVCDLSA-N 1 0 346.395 -1.052 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070159695 671889355 /nfs/dbraw/zinc/88/93/55/671889355.db2.gz NWHCDYIITJCNRV-RTXFEEFZSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070159696 671889152 /nfs/dbraw/zinc/88/91/52/671889152.db2.gz NWHCDYIITJCNRV-UHTWSYAYSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1nn(C)cc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070160705 671889376 /nfs/dbraw/zinc/88/93/76/671889376.db2.gz AXVKNFFMGGKJNG-NEPJUHHUSA-N 1 0 332.368 -1.539 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070160738 671889182 /nfs/dbraw/zinc/88/91/82/671889182.db2.gz CPNXWJNVFWRHET-JLLWLGSASA-N 1 0 333.352 -1.276 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070160739 671889101 /nfs/dbraw/zinc/88/91/01/671889101.db2.gz CPNXWJNVFWRHET-WCQGTBRESA-N 1 0 333.352 -1.276 20 0 EAADRO Cc1nn(C)cc1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070160748 671889190 /nfs/dbraw/zinc/88/91/90/671889190.db2.gz CVYHQCWPQKTHSO-RTXFEEFZSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1nn(C)cc1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070160749 671889227 /nfs/dbraw/zinc/88/92/27/671889227.db2.gz CVYHQCWPQKTHSO-UHTWSYAYSA-N 1 0 346.395 -1.151 20 0 EAADRO O=C(Cc1ccon1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070160865 671889428 /nfs/dbraw/zinc/88/94/28/671889428.db2.gz JNPLBHYODBVRIO-UPJWGTAASA-N 1 0 345.363 -1.261 20 0 EAADRO O=C(Cc1ccon1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070160866 671889560 /nfs/dbraw/zinc/88/95/60/671889560.db2.gz JNPLBHYODBVRIO-XQQFMLRXSA-N 1 0 345.363 -1.261 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070160939 671889125 /nfs/dbraw/zinc/88/91/25/671889125.db2.gz NEWVDPUYOPFNRM-MNOVXSKESA-N 1 0 333.356 -2.213 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070160951 671889511 /nfs/dbraw/zinc/88/95/11/671889511.db2.gz NRFAOULRLPVQFB-OLZOCXBDSA-N 1 0 346.395 -1.529 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)no1 ZINC001070160960 671889474 /nfs/dbraw/zinc/88/94/74/671889474.db2.gz OAEFANZMHDMBCD-NEPJUHHUSA-N 1 0 333.352 -1.356 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070160963 671889066 /nfs/dbraw/zinc/88/90/66/671889066.db2.gz ODYJVWDTKXLEDG-NEPJUHHUSA-N 1 0 349.395 -1.883 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC001070160967 671889276 /nfs/dbraw/zinc/88/92/76/671889276.db2.gz OGJDKOFKVBRICX-OLZOCXBDSA-N 1 0 346.395 -1.529 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070161034 671889399 /nfs/dbraw/zinc/88/93/99/671889399.db2.gz QXRXBSACFORYRB-OLZOCXBDSA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070161076 671889390 /nfs/dbraw/zinc/88/93/90/671889390.db2.gz TZLBLVJCRYZKRN-NEPJUHHUSA-N 1 0 349.395 -1.883 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070161078 671889452 /nfs/dbraw/zinc/88/94/52/671889452.db2.gz UBFUVINSXGFMMH-OLZOCXBDSA-N 1 0 336.396 -1.078 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070161106 671889134 /nfs/dbraw/zinc/88/91/34/671889134.db2.gz VAGSIJBHQJRQNB-AXFHLTTASA-N 1 0 335.368 -2.274 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070161107 671889264 /nfs/dbraw/zinc/88/92/64/671889264.db2.gz VAGSIJBHQJRQNB-MXWKQRLJSA-N 1 0 335.368 -2.274 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070161816 671889890 /nfs/dbraw/zinc/88/98/90/671889890.db2.gz AURZWQUDAZSPFY-NEPJUHHUSA-N 1 0 332.368 -1.571 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070161841 671889780 /nfs/dbraw/zinc/88/97/80/671889780.db2.gz BQCXWMBALIPHFW-TUAOUCFPSA-N 1 0 349.395 -1.884 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070161842 671889694 /nfs/dbraw/zinc/88/96/94/671889694.db2.gz BQCXWMBALIPHFW-UTUOFQBUSA-N 1 0 349.395 -1.884 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070161953 671889855 /nfs/dbraw/zinc/88/98/55/671889855.db2.gz IJCHYOQCCHGJCC-NEPJUHHUSA-N 1 0 332.368 -1.365 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070161972 671890006 /nfs/dbraw/zinc/89/00/06/671890006.db2.gz JIPKVMAIWZPEFJ-NEPJUHHUSA-N 1 0 332.368 -1.571 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070161994 671889993 /nfs/dbraw/zinc/88/99/93/671889993.db2.gz LATQSKMNSDUBQY-UPJWGTAASA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070161995 671889704 /nfs/dbraw/zinc/88/97/04/671889704.db2.gz LATQSKMNSDUBQY-XQQFMLRXSA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070161997 671889869 /nfs/dbraw/zinc/88/98/69/671889869.db2.gz LHRWPFATKOUYJJ-UPJWGTAASA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070161998 671889935 /nfs/dbraw/zinc/88/99/35/671889935.db2.gz LHRWPFATKOUYJJ-XQQFMLRXSA-N 1 0 336.396 -1.078 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070162003 671889954 /nfs/dbraw/zinc/88/99/54/671889954.db2.gz LOLUYVGYGYSOGS-OLZOCXBDSA-N 1 0 346.395 -1.263 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC001070162098 671890258 /nfs/dbraw/zinc/89/02/58/671890258.db2.gz QOUKKJDVOZZNKP-NEPJUHHUSA-N 1 0 332.368 -1.571 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070162122 671890581 /nfs/dbraw/zinc/89/05/81/671890581.db2.gz SFTKLEUEUDUOEL-NEPJUHHUSA-N 1 0 332.368 -1.608 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070162134 671890553 /nfs/dbraw/zinc/89/05/53/671890553.db2.gz STRVSWIMWQKKHI-AXFHLTTASA-N 1 0 335.368 -2.226 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070162135 671890597 /nfs/dbraw/zinc/89/05/97/671890597.db2.gz STRVSWIMWQKKHI-MXWKQRLJSA-N 1 0 335.368 -2.226 20 0 EAADRO CCc1ocnc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070162162 671890664 /nfs/dbraw/zinc/89/06/64/671890664.db2.gz UXJVWUWNCIHPQA-ZJUUUORDSA-N 1 0 333.352 -1.031 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070162166 671890467 /nfs/dbraw/zinc/89/04/67/671890467.db2.gz VADHWFQRBQSYQJ-MNOVXSKESA-N 1 0 335.368 -2.273 20 0 EAADRO CN1CCC[C@H]([NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070162172 671890224 /nfs/dbraw/zinc/89/02/24/671890224.db2.gz VFZWGKAHBFVUME-TUAOUCFPSA-N 1 0 349.395 -1.884 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070162173 671890505 /nfs/dbraw/zinc/89/05/05/671890505.db2.gz VFZWGKAHBFVUME-UTUOFQBUSA-N 1 0 349.395 -1.884 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070162236 671890386 /nfs/dbraw/zinc/89/03/86/671890386.db2.gz YFNDKNFPFHCOCA-AEJSXWLSSA-N 1 0 349.351 -2.700 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070162237 671890234 /nfs/dbraw/zinc/89/02/34/671890234.db2.gz YFNDKNFPFHCOCA-BBBLOLIVSA-N 1 0 349.351 -2.700 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1)C(N)=O ZINC001070162896 671890290 /nfs/dbraw/zinc/89/02/90/671890290.db2.gz GOFPZZACEYHGGU-AEJSXWLSSA-N 1 0 345.367 -1.821 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1)C(N)=O ZINC001070162897 671890684 /nfs/dbraw/zinc/89/06/84/671890684.db2.gz GOFPZZACEYHGGU-BBBLOLIVSA-N 1 0 345.367 -1.821 20 0 EAADRO Cc1[nH]nc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1C ZINC001070163012 671890650 /nfs/dbraw/zinc/89/06/50/671890650.db2.gz LRVNUXFLQPAJET-MNOVXSKESA-N 1 0 332.368 -1.241 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1 ZINC001070163013 671890430 /nfs/dbraw/zinc/89/04/30/671890430.db2.gz LTPTWBOCUJESPQ-BDAKNGLRSA-N 1 0 331.340 -2.209 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1 ZINC001070163571 671891116 /nfs/dbraw/zinc/89/11/16/671891116.db2.gz YJVVUNABKPMUCO-AXFHLTTASA-N 1 0 332.368 -1.314 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1 ZINC001070163572 671891197 /nfs/dbraw/zinc/89/11/97/671891197.db2.gz YJVVUNABKPMUCO-MXWKQRLJSA-N 1 0 332.368 -1.314 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070164362 671891100 /nfs/dbraw/zinc/89/11/00/671891100.db2.gz AELUZRJXJCICLW-UPJWGTAASA-N 1 0 346.395 -1.151 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070164363 671891020 /nfs/dbraw/zinc/89/10/20/671891020.db2.gz AELUZRJXJCICLW-XQQFMLRXSA-N 1 0 346.395 -1.151 20 0 EAADRO O=C(Cc1cc[nH]n1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070164561 671891262 /nfs/dbraw/zinc/89/12/62/671891262.db2.gz FYSGTGKZRXMVPO-UPJWGTAASA-N 1 0 344.379 -1.526 20 0 EAADRO O=C(Cc1cc[nH]n1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070164562 671891241 /nfs/dbraw/zinc/89/12/41/671891241.db2.gz FYSGTGKZRXMVPO-XQQFMLRXSA-N 1 0 344.379 -1.526 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070164815 671891760 /nfs/dbraw/zinc/89/17/60/671891760.db2.gz MXUPSCIZNOTYOM-JLLWLGSASA-N 1 0 332.368 -1.541 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070164816 671891667 /nfs/dbraw/zinc/89/16/67/671891667.db2.gz MXUPSCIZNOTYOM-WCQGTBRESA-N 1 0 332.368 -1.541 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1n1ccnn1 ZINC001070164906 671891885 /nfs/dbraw/zinc/89/18/85/671891885.db2.gz RFTWURWESCLNCP-NEPJUHHUSA-N 1 0 333.327 -1.047 20 0 EAADRO CN1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070165220 671891904 /nfs/dbraw/zinc/89/19/04/671891904.db2.gz JLHQXPSKRAQKAA-AGIUHOORSA-N 1 0 326.376 -1.080 20 0 EAADRO CN1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070165221 671891818 /nfs/dbraw/zinc/89/18/18/671891818.db2.gz JLHQXPSKRAQKAA-FRRDWIJNSA-N 1 0 326.376 -1.080 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nnn1C ZINC001070165384 671891738 /nfs/dbraw/zinc/89/17/38/671891738.db2.gz NBELEUKJMQQZLE-ZJUUUORDSA-N 1 0 333.356 -2.144 20 0 EAADRO CN1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070165445 671891867 /nfs/dbraw/zinc/89/18/67/671891867.db2.gz PDSTXNUUFSATHM-GRYCIOLGSA-N 1 0 337.384 -2.565 20 0 EAADRO CN1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070165446 671891609 /nfs/dbraw/zinc/89/16/09/671891609.db2.gz PDSTXNUUFSATHM-WOPDTQHZSA-N 1 0 337.384 -2.565 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nnn1C ZINC001070165565 671891950 /nfs/dbraw/zinc/89/19/50/671891950.db2.gz QFIHQFNEEUZDRF-GDPRMGEGSA-N 1 0 347.383 -1.756 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nnn1C ZINC001070165566 671891841 /nfs/dbraw/zinc/89/18/41/671891841.db2.gz QFIHQFNEEUZDRF-IEBDPFPHSA-N 1 0 347.383 -1.756 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)nnn1C ZINC001070165615 671891930 /nfs/dbraw/zinc/89/19/30/671891930.db2.gz SQWRQEWGGNJSLS-JLLWLGSASA-N 1 0 334.384 -1.249 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)nnn1C ZINC001070165616 671891927 /nfs/dbraw/zinc/89/19/27/671891927.db2.gz SQWRQEWGGNJSLS-WCQGTBRESA-N 1 0 334.384 -1.249 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070167432 671891775 /nfs/dbraw/zinc/89/17/75/671891775.db2.gz UCZAIAPXZZAQDU-MNOVXSKESA-N 1 0 331.336 -1.481 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070167596 671891690 /nfs/dbraw/zinc/89/16/90/671891690.db2.gz ZJMAFDVXNMWNAF-JLLWLGSASA-N 1 0 345.363 -1.092 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070167597 671891580 /nfs/dbraw/zinc/89/15/80/671891580.db2.gz ZJMAFDVXNMWNAF-WCQGTBRESA-N 1 0 345.363 -1.092 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070169671 671892130 /nfs/dbraw/zinc/89/21/30/671892130.db2.gz FQNUZTUCHBGDBL-TUAOUCFPSA-N 1 0 334.384 -1.249 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070169672 671892289 /nfs/dbraw/zinc/89/22/89/671892289.db2.gz FQNUZTUCHBGDBL-UTUOFQBUSA-N 1 0 334.384 -1.249 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070169891 671892359 /nfs/dbraw/zinc/89/23/59/671892359.db2.gz ICEWGLVPHDUGCF-ZJUUUORDSA-N 1 0 333.356 -2.144 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070170422 671892206 /nfs/dbraw/zinc/89/22/06/671892206.db2.gz NIXNSPICYSVHED-AXFHLTTASA-N 1 0 347.383 -1.756 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070170423 671892185 /nfs/dbraw/zinc/89/21/85/671892185.db2.gz NIXNSPICYSVHED-MXWKQRLJSA-N 1 0 347.383 -1.756 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070172369 671892380 /nfs/dbraw/zinc/89/23/80/671892380.db2.gz YELPGTKVPCUJAT-UPJWGTAASA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070172370 671892352 /nfs/dbraw/zinc/89/23/52/671892352.db2.gz YELPGTKVPCUJAT-XQQFMLRXSA-N 1 0 336.396 -1.078 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC2(CNC(=O)C(N)=O)CCOCC2)C1 ZINC001070172515 671892117 /nfs/dbraw/zinc/89/21/17/671892117.db2.gz DTGFQZMCQREVRY-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC2(CNC(=O)C(N)=O)CCOCC2)C1 ZINC001070172516 671892369 /nfs/dbraw/zinc/89/23/69/671892369.db2.gz DTGFQZMCQREVRY-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO COCC(=O)NCC1(NC(=O)COCC[NH+](C)C)CCOCC1 ZINC001070172732 671892376 /nfs/dbraw/zinc/89/23/76/671892376.db2.gz LENNZFBPLZDLGE-UHFFFAOYSA-N 1 0 331.413 -1.007 20 0 EAADRO C[NH+](C)CCOCC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070172837 671892384 /nfs/dbraw/zinc/89/23/84/671892384.db2.gz PRZXLXIPDBHLSN-UHFFFAOYSA-N 1 0 344.412 -1.778 20 0 EAADRO C[NH+](C)CCOCC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070172878 671892368 /nfs/dbraw/zinc/89/23/68/671892368.db2.gz RQHHLZULCPEUAB-UHFFFAOYSA-N 1 0 330.385 -2.169 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)C1 ZINC001070172907 671892302 /nfs/dbraw/zinc/89/23/02/671892302.db2.gz TWVMTGBQSBGIIZ-GFCCVEGCSA-N 1 0 340.424 -1.015 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)C1 ZINC001070172908 671892102 /nfs/dbraw/zinc/89/21/02/671892102.db2.gz TWVMTGBQSBGIIZ-LBPRGKRZSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1n1ccnn1 ZINC001070173168 671892425 /nfs/dbraw/zinc/89/24/25/671892425.db2.gz FVOOYQQHIXJIQA-NEPJUHHUSA-N 1 0 333.327 -1.047 20 0 EAADRO CC[C@@H](C(=O)NC1(CNC(=O)CC(N)=O)CCOCC1)[NH+](C)C ZINC001070173576 671892391 /nfs/dbraw/zinc/89/23/91/671892391.db2.gz CXNJQHSTIWQKID-NSHDSACASA-N 1 0 328.413 -1.016 20 0 EAADRO NC(=O)CC(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001070173822 671892096 /nfs/dbraw/zinc/89/20/96/671892096.db2.gz MTKXVHNTEYTMRG-UHFFFAOYSA-N 1 0 338.408 -1.261 20 0 EAADRO CC[C@@H](C(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1)[NH+](C)C ZINC001070174002 671892385 /nfs/dbraw/zinc/89/23/85/671892385.db2.gz UNGYZIBHYNIHLQ-NSHDSACASA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070174364 671892145 /nfs/dbraw/zinc/89/21/45/671892145.db2.gz KFHVKBKUBBTBSJ-JLLWLGSASA-N 1 0 345.363 -1.092 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070174365 671892313 /nfs/dbraw/zinc/89/23/13/671892313.db2.gz KFHVKBKUBBTBSJ-WCQGTBRESA-N 1 0 345.363 -1.092 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001070174557 671892321 /nfs/dbraw/zinc/89/23/21/671892321.db2.gz VBZFOSLEEHPQCY-MNOVXSKESA-N 1 0 331.336 -1.481 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070175588 671892981 /nfs/dbraw/zinc/89/29/81/671892981.db2.gz OSBFNUSFUBMGGG-AXFHLTTASA-N 1 0 335.368 -2.369 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070175589 671892703 /nfs/dbraw/zinc/89/27/03/671892703.db2.gz OSBFNUSFUBMGGG-MXWKQRLJSA-N 1 0 335.368 -2.369 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070176565 671892613 /nfs/dbraw/zinc/89/26/13/671892613.db2.gz GVSUPUWCSIHOOD-LOWVWBTDSA-N 1 0 346.395 -1.069 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070176566 671892711 /nfs/dbraw/zinc/89/27/11/671892711.db2.gz GVSUPUWCSIHOOD-WZRBSPASSA-N 1 0 346.395 -1.069 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)c1 ZINC001070176710 671892679 /nfs/dbraw/zinc/89/26/79/671892679.db2.gz OGSOMJVXXXOPEG-LOWVWBTDSA-N 1 0 344.379 -1.445 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)c1 ZINC001070176711 671892654 /nfs/dbraw/zinc/89/26/54/671892654.db2.gz OGSOMJVXXXOPEG-WZRBSPASSA-N 1 0 344.379 -1.445 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070176923 671892777 /nfs/dbraw/zinc/89/27/77/671892777.db2.gz YDIGJSVZSSEFRO-FOGDFJRCSA-N 1 0 332.368 -1.459 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070176924 671892838 /nfs/dbraw/zinc/89/28/38/671892838.db2.gz YDIGJSVZSSEFRO-UMNHJUIQSA-N 1 0 332.368 -1.459 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070176942 671892973 /nfs/dbraw/zinc/89/29/73/671892973.db2.gz YTNVQPJOTZPBIR-AXFHLTTASA-N 1 0 336.352 -1.942 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070176943 671892900 /nfs/dbraw/zinc/89/29/00/671892900.db2.gz YTNVQPJOTZPBIR-MXWKQRLJSA-N 1 0 336.352 -1.942 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070177732 671892687 /nfs/dbraw/zinc/89/26/87/671892687.db2.gz LCFXQDYOQGFKFE-OLZOCXBDSA-N 1 0 329.364 -1.257 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070178616 671892606 /nfs/dbraw/zinc/89/26/06/671892606.db2.gz ALJNCSVPTGGKPV-NEPJUHHUSA-N 1 0 337.384 -2.563 20 0 EAADRO O=C(CN1CCOCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070178670 671892850 /nfs/dbraw/zinc/89/28/50/671892850.db2.gz CRVLDDFWAINSRC-OLZOCXBDSA-N 1 0 326.376 -1.079 20 0 EAADRO C[C@@](O)(CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070178710 671892633 /nfs/dbraw/zinc/89/26/33/671892633.db2.gz FTAGBRXERCSEAG-TYNCELHUSA-N 1 0 336.396 -1.344 20 0 EAADRO C[C@](O)(CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070178711 671892804 /nfs/dbraw/zinc/89/28/04/671892804.db2.gz FTAGBRXERCSEAG-XUJVJEKNSA-N 1 0 336.396 -1.344 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070179085 671892895 /nfs/dbraw/zinc/89/28/95/671892895.db2.gz ZGTYJHLVSLTNBP-MCIONIFRSA-N 1 0 338.412 -1.667 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070179086 671892915 /nfs/dbraw/zinc/89/29/15/671892915.db2.gz ZGTYJHLVSLTNBP-MJBXVCDLSA-N 1 0 338.412 -1.667 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070179824 671892623 /nfs/dbraw/zinc/89/26/23/671892623.db2.gz JVMMJORKNQSIMP-RTXFEEFZSA-N 1 0 346.395 -1.232 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070179825 671892754 /nfs/dbraw/zinc/89/27/54/671892754.db2.gz JVMMJORKNQSIMP-UHTWSYAYSA-N 1 0 346.395 -1.232 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cncn1 ZINC001070179864 671892873 /nfs/dbraw/zinc/89/28/73/671892873.db2.gz MFHBZEQYAHLBPA-AXFHLTTASA-N 1 0 333.356 -2.042 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cncn1 ZINC001070179865 671892787 /nfs/dbraw/zinc/89/27/87/671892787.db2.gz MFHBZEQYAHLBPA-MXWKQRLJSA-N 1 0 333.356 -2.042 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070179944 671892927 /nfs/dbraw/zinc/89/29/27/671892927.db2.gz RWOTUXPEFBGFTO-NEPJUHHUSA-N 1 0 332.368 -1.621 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1n1ccnn1 ZINC001070180693 671892887 /nfs/dbraw/zinc/89/28/87/671892887.db2.gz AJVPVQRMXBSWAL-NEPJUHHUSA-N 1 0 333.327 -1.047 20 0 EAADRO CCc1nc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)co1 ZINC001070180694 671892640 /nfs/dbraw/zinc/89/26/40/671892640.db2.gz AMQUXUHOXDJENC-KOLCDFICSA-N 1 0 333.352 -1.031 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1n1ccnn1 ZINC001070180697 671892944 /nfs/dbraw/zinc/89/29/44/671892944.db2.gz ARFGOYNGPLQBSQ-BDAKNGLRSA-N 1 0 335.328 -2.898 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070180728 671892906 /nfs/dbraw/zinc/89/29/06/671892906.db2.gz BTAKVDWTAUBTES-GRYCIOLGSA-N 1 0 337.384 -2.565 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070180729 671892599 /nfs/dbraw/zinc/89/25/99/671892599.db2.gz BTAKVDWTAUBTES-WOPDTQHZSA-N 1 0 337.384 -2.565 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070180743 671892919 /nfs/dbraw/zinc/89/29/19/671892919.db2.gz CISBHIWPAHHJQZ-AEJSXWLSSA-N 1 0 349.355 -2.509 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070180744 671892748 /nfs/dbraw/zinc/89/27/48/671892748.db2.gz CISBHIWPAHHJQZ-BBBLOLIVSA-N 1 0 349.355 -2.509 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070180961 671893296 /nfs/dbraw/zinc/89/32/96/671893296.db2.gz OVRHLDJKCCLVCR-JLLWLGSASA-N 1 0 330.352 -1.403 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070180962 671893165 /nfs/dbraw/zinc/89/31/65/671893165.db2.gz OVRHLDJKCCLVCR-WCQGTBRESA-N 1 0 330.352 -1.403 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070180971 671893195 /nfs/dbraw/zinc/89/31/95/671893195.db2.gz PNHJKCPFRBVFEV-UPJWGTAASA-N 1 0 344.379 -1.013 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070180972 671893272 /nfs/dbraw/zinc/89/32/72/671893272.db2.gz PNHJKCPFRBVFEV-XQQFMLRXSA-N 1 0 344.379 -1.013 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1n1ccnn1 ZINC001070181030 671893521 /nfs/dbraw/zinc/89/35/21/671893521.db2.gz SWFMZWILIIXUQX-AXFHLTTASA-N 1 0 336.356 -2.002 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1n1ccnn1 ZINC001070181031 671893365 /nfs/dbraw/zinc/89/33/65/671893365.db2.gz SWFMZWILIIXUQX-MXWKQRLJSA-N 1 0 336.356 -2.002 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)on1 ZINC001070181101 671893306 /nfs/dbraw/zinc/89/33/06/671893306.db2.gz WTGDWGLRPLPBHI-AEJSXWLSSA-N 1 0 349.351 -1.196 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)on1 ZINC001070181102 671893430 /nfs/dbraw/zinc/89/34/30/671893430.db2.gz WTGDWGLRPLPBHI-BBBLOLIVSA-N 1 0 349.351 -1.196 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070181164 671893329 /nfs/dbraw/zinc/89/33/29/671893329.db2.gz ZFUIWKCZMHODSO-AGIUHOORSA-N 1 0 326.376 -1.080 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070181165 671893539 /nfs/dbraw/zinc/89/35/39/671893539.db2.gz ZFUIWKCZMHODSO-FRRDWIJNSA-N 1 0 326.376 -1.080 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)on1 ZINC001070181177 671893379 /nfs/dbraw/zinc/89/33/79/671893379.db2.gz ZUOSKQQCBJZPHO-BDAKNGLRSA-N 1 0 335.324 -1.585 20 0 EAADRO C[NH+](C)CCCCC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070181326 671893437 /nfs/dbraw/zinc/89/34/37/671893437.db2.gz HIIGQZUCLHLVQC-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070181780 671893237 /nfs/dbraw/zinc/89/32/37/671893237.db2.gz BQVBJVFCRQOVDA-RTXFEEFZSA-N 1 0 334.380 -1.160 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070181781 671893351 /nfs/dbraw/zinc/89/33/51/671893351.db2.gz BQVBJVFCRQOVDA-UHTWSYAYSA-N 1 0 334.380 -1.160 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1n1ccnn1 ZINC001070181824 671893316 /nfs/dbraw/zinc/89/33/16/671893316.db2.gz FCIBLKRUZBNFAM-JLLWLGSASA-N 1 0 334.384 -1.370 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1n1ccnn1 ZINC001070181825 671893512 /nfs/dbraw/zinc/89/35/12/671893512.db2.gz FCIBLKRUZBNFAM-WCQGTBRESA-N 1 0 334.384 -1.370 20 0 EAADRO O=C(c1cncnc1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070181879 671893415 /nfs/dbraw/zinc/89/34/15/671893415.db2.gz IKTACLRQQJZXKU-UPJWGTAASA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(c1cncnc1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070181880 671893472 /nfs/dbraw/zinc/89/34/72/671893472.db2.gz IKTACLRQQJZXKU-XQQFMLRXSA-N 1 0 342.363 -1.388 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1n1ccnn1)C(N)=O ZINC001070181886 671893401 /nfs/dbraw/zinc/89/34/01/671893401.db2.gz IUSOIEVNQDLGHJ-GDPRMGEGSA-N 1 0 347.383 -1.877 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1n1ccnn1)C(N)=O ZINC001070181887 671893394 /nfs/dbraw/zinc/89/33/94/671893394.db2.gz IUSOIEVNQDLGHJ-IEBDPFPHSA-N 1 0 347.383 -1.877 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1N ZINC001070181889 671893504 /nfs/dbraw/zinc/89/35/04/671893504.db2.gz JALDEDVINAOZRG-ZJUUUORDSA-N 1 0 333.356 -2.266 20 0 EAADRO O=C(CC1OCCCO1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070181951 671893344 /nfs/dbraw/zinc/89/33/44/671893344.db2.gz LXYKYAZWHPGWKR-NEPJUHHUSA-N 1 0 325.369 -1.235 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1 ZINC001070181956 671893200 /nfs/dbraw/zinc/89/32/00/671893200.db2.gz MCSHKTNAASVFMF-MNOVXSKESA-N 1 0 338.368 -1.742 20 0 EAADRO CCC[N@H+](C)CC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 ZINC001070182461 671893253 /nfs/dbraw/zinc/89/32/53/671893253.db2.gz LMMDMCPBIUPFQR-UHFFFAOYSA-N 1 0 343.428 -1.222 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCOCC1 ZINC001070182626 671893266 /nfs/dbraw/zinc/89/32/66/671893266.db2.gz RGSZCQKUJIVSIE-LBPRGKRZSA-N 1 0 340.424 -1.002 20 0 EAADRO CCC[N@H+](C)CC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070182680 671893212 /nfs/dbraw/zinc/89/32/12/671893212.db2.gz UKLRSZUKILWPLB-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)ncn1 ZINC001070182866 671893339 /nfs/dbraw/zinc/89/33/39/671893339.db2.gz CMHWUYRUCAUDKT-NEPJUHHUSA-N 1 0 330.352 -1.483 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070182940 671893534 /nfs/dbraw/zinc/89/35/34/671893534.db2.gz HECSSTGFDMQWBX-AEJSXWLSSA-N 1 0 349.351 -1.901 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070182941 671893358 /nfs/dbraw/zinc/89/33/58/671893358.db2.gz HECSSTGFDMQWBX-BBBLOLIVSA-N 1 0 349.351 -1.901 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1 ZINC001070182958 671893324 /nfs/dbraw/zinc/89/33/24/671893324.db2.gz HVHCHYKOLOUTDH-AXFHLTTASA-N 1 0 336.352 -1.394 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1 ZINC001070182959 671893481 /nfs/dbraw/zinc/89/34/81/671893481.db2.gz HVHCHYKOLOUTDH-MXWKQRLJSA-N 1 0 336.352 -1.394 20 0 EAADRO O=C(C1=CCOCC1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070183117 671893422 /nfs/dbraw/zinc/89/34/22/671893422.db2.gz QKIPKULMAVISSJ-MCIONIFRSA-N 1 0 346.391 -1.145 20 0 EAADRO O=C(C1=CCOCC1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070183118 671893567 /nfs/dbraw/zinc/89/35/67/671893567.db2.gz QKIPKULMAVISSJ-MJBXVCDLSA-N 1 0 346.391 -1.145 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)ncn1 ZINC001070183218 671893408 /nfs/dbraw/zinc/89/34/08/671893408.db2.gz WYRSANUJNKRTJN-RTXFEEFZSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)ncn1 ZINC001070183219 671893372 /nfs/dbraw/zinc/89/33/72/671893372.db2.gz WYRSANUJNKRTJN-UHTWSYAYSA-N 1 0 344.379 -1.094 20 0 EAADRO CCC[N@H+](C)CCC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070183334 671893387 /nfs/dbraw/zinc/89/33/87/671893387.db2.gz BYZBOJBQCKFHDN-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)C1 ZINC001070183909 671894060 /nfs/dbraw/zinc/89/40/60/671894060.db2.gz ABSQIRCVNDMEQF-GDLCADMTSA-N 1 0 336.396 -1.521 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)C1 ZINC001070183910 671893914 /nfs/dbraw/zinc/89/39/14/671893914.db2.gz ABSQIRCVNDMEQF-HONMWMINSA-N 1 0 336.396 -1.521 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070183998 671893808 /nfs/dbraw/zinc/89/38/08/671893808.db2.gz DULALWOKNAAADS-RTXFEEFZSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070183999 671893974 /nfs/dbraw/zinc/89/39/74/671893974.db2.gz DULALWOKNAAADS-UHTWSYAYSA-N 1 0 346.395 -1.530 20 0 EAADRO CCn1nccc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070184073 671893709 /nfs/dbraw/zinc/89/37/09/671893709.db2.gz ILCCAAQKWIFPFO-PWSUYJOCSA-N 1 0 332.368 -1.365 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1 ZINC001070184116 671893802 /nfs/dbraw/zinc/89/38/02/671893802.db2.gz KEFJOZBVMKNXJP-UPJWGTAASA-N 1 0 334.384 -1.318 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1 ZINC001070184117 671894069 /nfs/dbraw/zinc/89/40/69/671894069.db2.gz KEFJOZBVMKNXJP-XQQFMLRXSA-N 1 0 334.384 -1.318 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070184186 671894007 /nfs/dbraw/zinc/89/40/07/671894007.db2.gz NAFWSSKUIRHNMY-BIMULSAOSA-N 1 0 349.395 -2.028 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070184187 671893738 /nfs/dbraw/zinc/89/37/38/671893738.db2.gz NAFWSSKUIRHNMY-WQAKAFBOSA-N 1 0 349.395 -2.028 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070184217 671894039 /nfs/dbraw/zinc/89/40/39/671894039.db2.gz ORJQZPRJXSIMPF-NEPJUHHUSA-N 1 0 332.368 -1.919 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070184228 671893773 /nfs/dbraw/zinc/89/37/73/671893773.db2.gz OXHLNEKSOZUQCX-NEPJUHHUSA-N 1 0 335.368 -2.417 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070184308 671893954 /nfs/dbraw/zinc/89/39/54/671893954.db2.gz SUHKCEYLRGGITC-TUAOUCFPSA-N 1 0 347.383 -1.825 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070184309 671893982 /nfs/dbraw/zinc/89/39/82/671893982.db2.gz SUHKCEYLRGGITC-UTUOFQBUSA-N 1 0 347.383 -1.825 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cc1=O ZINC001070184329 671893833 /nfs/dbraw/zinc/89/38/33/671893833.db2.gz UNOAHFDWUQKFIB-BDAKNGLRSA-N 1 0 335.324 -2.290 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1 ZINC001070184342 671893995 /nfs/dbraw/zinc/89/39/95/671893995.db2.gz UTOFNUFANJCKMO-MNOVXSKESA-N 1 0 333.356 -2.213 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)cnn1 ZINC001070184405 671893866 /nfs/dbraw/zinc/89/38/66/671893866.db2.gz XXVQRIIGFBVOLA-RTXFEEFZSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)cnn1 ZINC001070184406 671894077 /nfs/dbraw/zinc/89/40/77/671894077.db2.gz XXVQRIIGFBVOLA-UHTWSYAYSA-N 1 0 344.379 -1.094 20 0 EAADRO NC(=O)C(=O)NCC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCOCC1 ZINC001070184689 671894087 /nfs/dbraw/zinc/89/40/87/671894087.db2.gz KAHMFQRDEBIUEJ-HNNXBMFYSA-N 1 0 338.408 -1.261 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1 ZINC001070185089 671894095 /nfs/dbraw/zinc/89/40/95/671894095.db2.gz CRUDYKXWSBMPKB-BNOWGMLFSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1 ZINC001070185090 671893876 /nfs/dbraw/zinc/89/38/76/671893876.db2.gz CRUDYKXWSBMPKB-YUTCNCBUSA-N 1 0 333.396 -1.023 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070186696 671894493 /nfs/dbraw/zinc/89/44/93/671894493.db2.gz KYAMHEGIHXAHTM-FOGDFJRCSA-N 1 0 347.383 -1.674 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070186697 671894545 /nfs/dbraw/zinc/89/45/45/671894545.db2.gz KYAMHEGIHXAHTM-UMNHJUIQSA-N 1 0 347.383 -1.674 20 0 EAADRO CC(C)(O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070186799 671894308 /nfs/dbraw/zinc/89/43/08/671894308.db2.gz PITIYFSESNSZPB-TUAOUCFPSA-N 1 0 336.396 -1.331 20 0 EAADRO CC(C)(O)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070186800 671894381 /nfs/dbraw/zinc/89/43/81/671894381.db2.gz PITIYFSESNSZPB-UTUOFQBUSA-N 1 0 336.396 -1.331 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070186836 671894720 /nfs/dbraw/zinc/89/47/20/671894720.db2.gz RORAFNHXKHFZRS-KKZNHRDASA-N 1 0 333.356 -2.064 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070186837 671894753 /nfs/dbraw/zinc/89/47/53/671894753.db2.gz RORAFNHXKHFZRS-NGZCFLSTSA-N 1 0 333.356 -2.064 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070186907 671894712 /nfs/dbraw/zinc/89/47/12/671894712.db2.gz VUCVOHFZTYKXAE-RTXFEEFZSA-N 1 0 344.379 -1.474 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070186908 671894659 /nfs/dbraw/zinc/89/46/59/671894659.db2.gz VUCVOHFZTYKXAE-UHTWSYAYSA-N 1 0 344.379 -1.474 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070186917 671894812 /nfs/dbraw/zinc/89/48/12/671894812.db2.gz WJIABKSWYOFACG-FOGDFJRCSA-N 1 0 345.367 -2.050 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070186918 671894805 /nfs/dbraw/zinc/89/48/05/671894805.db2.gz WJIABKSWYOFACG-UMNHJUIQSA-N 1 0 345.367 -2.050 20 0 EAADRO CCn1ccnc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070186971 671894984 /nfs/dbraw/zinc/89/49/84/671894984.db2.gz YZAQJHBQIJIHCR-MNOVXSKESA-N 1 0 332.368 -1.365 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCOCC1 ZINC001070187066 671894647 /nfs/dbraw/zinc/89/46/47/671894647.db2.gz FSUKCYFBMDODQJ-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001070187067 671894718 /nfs/dbraw/zinc/89/47/18/671894718.db2.gz FSUKCYFBMDODQJ-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070187557 671894995 /nfs/dbraw/zinc/89/49/95/671894995.db2.gz GGFZARCVBZNAKE-AEJSXWLSSA-N 1 0 333.356 -2.064 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070187558 671894679 /nfs/dbraw/zinc/89/46/79/671894679.db2.gz GGFZARCVBZNAKE-BBBLOLIVSA-N 1 0 333.356 -2.064 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070187595 671894795 /nfs/dbraw/zinc/89/47/95/671894795.db2.gz IAWNVVDKWVGFRN-AXFHLTTASA-N 1 0 347.383 -1.674 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070187596 671894867 /nfs/dbraw/zinc/89/48/67/671894867.db2.gz IAWNVVDKWVGFRN-MXWKQRLJSA-N 1 0 347.383 -1.674 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)o1 ZINC001070188291 671894855 /nfs/dbraw/zinc/89/48/55/671894855.db2.gz BAIJJXHEAAQEJI-JLLWLGSASA-N 1 0 335.368 -1.065 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)o1 ZINC001070188292 671894819 /nfs/dbraw/zinc/89/48/19/671894819.db2.gz BAIJJXHEAAQEJI-WCQGTBRESA-N 1 0 335.368 -1.065 20 0 EAADRO CCOC1CC(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070188302 671895535 /nfs/dbraw/zinc/89/55/35/671895535.db2.gz CBZCTJYEXJRNKQ-TUUUFIMRSA-N 1 0 336.396 -1.080 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cnn1 ZINC001070188306 671895267 /nfs/dbraw/zinc/89/52/67/671895267.db2.gz CHSVQARRFMEKTG-NEPJUHHUSA-N 1 0 330.352 -1.483 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070188420 671895294 /nfs/dbraw/zinc/89/52/94/671895294.db2.gz GKBRRPSDMZAAET-AXFHLTTASA-N 1 0 345.367 -2.050 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070188422 671895466 /nfs/dbraw/zinc/89/54/66/671895466.db2.gz GKBRRPSDMZAAET-MXWKQRLJSA-N 1 0 345.367 -2.050 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)o1 ZINC001070188617 671895177 /nfs/dbraw/zinc/89/51/77/671895177.db2.gz JCOXLKUDMYPNQB-ZJUUUORDSA-N 1 0 334.340 -1.961 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070188818 671895326 /nfs/dbraw/zinc/89/53/26/671895326.db2.gz MWFROWOHLCSBFI-FOGDFJRCSA-N 1 0 347.383 -1.674 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070188819 671895364 /nfs/dbraw/zinc/89/53/64/671895364.db2.gz MWFROWOHLCSBFI-UMNHJUIQSA-N 1 0 347.383 -1.674 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)o1 ZINC001070188886 671895241 /nfs/dbraw/zinc/89/52/41/671895241.db2.gz RGTISMIMRPJICH-GDPRMGEGSA-N 1 0 348.367 -1.572 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)o1 ZINC001070188887 671895307 /nfs/dbraw/zinc/89/53/07/671895307.db2.gz RGTISMIMRPJICH-IEBDPFPHSA-N 1 0 348.367 -1.572 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070188943 671895474 /nfs/dbraw/zinc/89/54/74/671895474.db2.gz UYPCZGRFEXMVQZ-HZSPNIEDSA-N 1 0 348.411 -1.072 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070189006 671895318 /nfs/dbraw/zinc/89/53/18/671895318.db2.gz YBUONFLILDMBRO-KKZNHRDASA-N 1 0 333.356 -2.064 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070189007 671895441 /nfs/dbraw/zinc/89/54/41/671895441.db2.gz YBUONFLILDMBRO-NGZCFLSTSA-N 1 0 333.356 -2.064 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070189048 671895158 /nfs/dbraw/zinc/89/51/58/671895158.db2.gz ZXDBLOIWMMVEFN-FOGDFJRCSA-N 1 0 345.367 -2.050 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070189049 671895393 /nfs/dbraw/zinc/89/53/93/671895393.db2.gz ZXDBLOIWMMVEFN-UMNHJUIQSA-N 1 0 345.367 -2.050 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070189570 671895404 /nfs/dbraw/zinc/89/54/04/671895404.db2.gz BDEFDOGUKMEBKV-AXFHLTTASA-N 1 0 332.368 -1.080 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070189571 671895233 /nfs/dbraw/zinc/89/52/33/671895233.db2.gz BDEFDOGUKMEBKV-MXWKQRLJSA-N 1 0 332.368 -1.080 20 0 EAADRO O=C(c1ncc[nH]1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070189650 671895494 /nfs/dbraw/zinc/89/54/94/671895494.db2.gz GIWZGPKBHIREQP-NEPJUHHUSA-N 1 0 342.367 -1.052 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070189755 671895131 /nfs/dbraw/zinc/89/51/31/671895131.db2.gz GQNHAYUEENTGQQ-JLLWLGSASA-N 1 0 347.383 -1.581 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070189756 671895284 /nfs/dbraw/zinc/89/52/84/671895284.db2.gz GQNHAYUEENTGQQ-WCQGTBRESA-N 1 0 347.383 -1.581 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)n1 ZINC001070189824 671895343 /nfs/dbraw/zinc/89/53/43/671895343.db2.gz JSSBACLQQFPTQL-RTXFEEFZSA-N 1 0 334.384 -1.074 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)n1 ZINC001070189825 671895572 /nfs/dbraw/zinc/89/55/72/671895572.db2.gz JSSBACLQQFPTQL-UHTWSYAYSA-N 1 0 334.384 -1.074 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2n2ccnn2)C1=O ZINC001070190313 671895456 /nfs/dbraw/zinc/89/54/56/671895456.db2.gz YKRRVXNCLNKPDR-TUAOUCFPSA-N 1 0 344.379 -1.113 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2n2ccnn2)C1=O ZINC001070190314 671895524 /nfs/dbraw/zinc/89/55/24/671895524.db2.gz YKRRVXNCLNKPDR-UTUOFQBUSA-N 1 0 344.379 -1.113 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070190337 671895567 /nfs/dbraw/zinc/89/55/67/671895567.db2.gz ZOBYDCMEZHQOQY-MNOVXSKESA-N 1 0 333.356 -1.970 20 0 EAADRO O=C(c1ncc[nH]1)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070190360 671895352 /nfs/dbraw/zinc/89/53/52/671895352.db2.gz ATDOWDPRGDOCLO-TUAOUCFPSA-N 1 0 344.379 -1.065 20 0 EAADRO O=C(c1ncc[nH]1)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070190361 671895553 /nfs/dbraw/zinc/89/55/53/671895553.db2.gz ATDOWDPRGDOCLO-UTUOFQBUSA-N 1 0 344.379 -1.065 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070190591 671895335 /nfs/dbraw/zinc/89/53/35/671895335.db2.gz IDENDFFFZRYZTP-NEPJUHHUSA-N 1 0 344.379 -1.111 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070190768 671895273 /nfs/dbraw/zinc/89/52/73/671895273.db2.gz LWDIKWNPGNENTN-LOWVWBTDSA-N 1 0 334.384 -1.074 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070190769 671895521 /nfs/dbraw/zinc/89/55/21/671895521.db2.gz LWDIKWNPGNENTN-WZRBSPASSA-N 1 0 334.384 -1.074 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070190981 671895371 /nfs/dbraw/zinc/89/53/71/671895371.db2.gz RZKNSAXHVRFONL-RTXFEEFZSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070190982 671895312 /nfs/dbraw/zinc/89/53/12/671895312.db2.gz RZKNSAXHVRFONL-UHTWSYAYSA-N 1 0 346.395 -1.530 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191006 671895507 /nfs/dbraw/zinc/89/55/07/671895507.db2.gz SYKXQVTUCPQXJW-FOGDFJRCSA-N 1 0 347.383 -1.581 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191007 671895276 /nfs/dbraw/zinc/89/52/76/671895276.db2.gz SYKXQVTUCPQXJW-UMNHJUIQSA-N 1 0 347.383 -1.581 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191215 671895576 /nfs/dbraw/zinc/89/55/76/671895576.db2.gz YKKMDCTVYVBDLO-KOLCDFICSA-N 1 0 333.356 -1.970 20 0 EAADRO O=C(c1ncc[nH]1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070191232 671895258 /nfs/dbraw/zinc/89/52/58/671895258.db2.gz ZBWABJUFHZELSH-AXFHLTTASA-N 1 0 330.352 -1.455 20 0 EAADRO O=C(c1ncc[nH]1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070191233 671895222 /nfs/dbraw/zinc/89/52/22/671895222.db2.gz ZBWABJUFHZELSH-MXWKQRLJSA-N 1 0 330.352 -1.455 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070191463 671895547 /nfs/dbraw/zinc/89/55/47/671895547.db2.gz BFWUOJZIXWSJQV-TUAOUCFPSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070191464 671895427 /nfs/dbraw/zinc/89/54/27/671895427.db2.gz BFWUOJZIXWSJQV-UTUOFQBUSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191599 671895972 /nfs/dbraw/zinc/89/59/72/671895972.db2.gz IIGROMPACLPVDC-AXFHLTTASA-N 1 0 332.368 -1.161 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191600 671895936 /nfs/dbraw/zinc/89/59/36/671895936.db2.gz IIGROMPACLPVDC-MXWKQRLJSA-N 1 0 332.368 -1.161 20 0 EAADRO O=C(CC1(O)CCC1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070191761 671895697 /nfs/dbraw/zinc/89/56/97/671895697.db2.gz QUXMOJZARIGART-UPJWGTAASA-N 1 0 348.407 -1.187 20 0 EAADRO O=C(CC1(O)CCC1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070191762 671895816 /nfs/dbraw/zinc/89/58/16/671895816.db2.gz QUXMOJZARIGART-XQQFMLRXSA-N 1 0 348.407 -1.187 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191792 671895782 /nfs/dbraw/zinc/89/57/82/671895782.db2.gz SLQGBTDLOWABFD-MCIONIFRSA-N 1 0 349.439 -1.022 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191793 671895999 /nfs/dbraw/zinc/89/59/99/671895999.db2.gz SLQGBTDLOWABFD-RDBSUJKOSA-N 1 0 349.439 -1.022 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070191832 671896031 /nfs/dbraw/zinc/89/60/31/671896031.db2.gz VQHQIJNXRCQOSN-TUAOUCFPSA-N 1 0 336.396 -1.202 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070191833 671895724 /nfs/dbraw/zinc/89/57/24/671895724.db2.gz VQHQIJNXRCQOSN-UTUOFQBUSA-N 1 0 336.396 -1.202 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070192540 671896059 /nfs/dbraw/zinc/89/60/59/671896059.db2.gz BNYIKLPXJFDFBT-JLLWLGSASA-N 1 0 334.384 -1.330 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070192541 671895954 /nfs/dbraw/zinc/89/59/54/671895954.db2.gz BNYIKLPXJFDFBT-WCQGTBRESA-N 1 0 334.384 -1.330 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070192615 671895990 /nfs/dbraw/zinc/89/59/90/671895990.db2.gz FUPOLRLNLFYFRP-ZJUUUORDSA-N 1 0 333.356 -2.226 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070192971 671895867 /nfs/dbraw/zinc/89/58/67/671895867.db2.gz ZLKGHSMKIRUATH-GDPRMGEGSA-N 1 0 347.383 -1.837 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070192972 671896101 /nfs/dbraw/zinc/89/61/01/671896101.db2.gz ZLKGHSMKIRUATH-IEBDPFPHSA-N 1 0 347.383 -1.837 20 0 EAADRO Cc1cn(C)nc1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070193503 671895735 /nfs/dbraw/zinc/89/57/35/671895735.db2.gz BFIPDJAGZVDCKS-TUAOUCFPSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1cn(C)nc1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070193504 671896017 /nfs/dbraw/zinc/89/60/17/671896017.db2.gz BFIPDJAGZVDCKS-UTUOFQBUSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1ccc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070193522 671896051 /nfs/dbraw/zinc/89/60/51/671896051.db2.gz BXEXQFOVOMOLJS-RTXFEEFZSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1ccc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070193523 671895681 /nfs/dbraw/zinc/89/56/81/671895681.db2.gz BXEXQFOVOMOLJS-UHTWSYAYSA-N 1 0 344.379 -1.094 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070193643 671896129 /nfs/dbraw/zinc/89/61/29/671896129.db2.gz JVYRKJYKIQVOFX-TUAOUCFPSA-N 1 0 338.368 -2.090 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070193644 671895945 /nfs/dbraw/zinc/89/59/45/671895945.db2.gz JVYRKJYKIQVOFX-UTUOFQBUSA-N 1 0 338.368 -2.090 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070193699 671895841 /nfs/dbraw/zinc/89/58/41/671895841.db2.gz MQCDCPXXUHVHTA-NEPJUHHUSA-N 1 0 332.368 -1.919 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001070193802 671896156 /nfs/dbraw/zinc/89/61/56/671896156.db2.gz RHFBJJBDOXWXOY-BNOWGMLFSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001070193803 671895927 /nfs/dbraw/zinc/89/59/27/671895927.db2.gz RHFBJJBDOXWXOY-YUTCNCBUSA-N 1 0 333.396 -1.023 20 0 EAADRO Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070193811 671896142 /nfs/dbraw/zinc/89/61/42/671896142.db2.gz RNBFFZLAXWSSSL-NEPJUHHUSA-N 1 0 330.352 -1.483 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070193889 671895806 /nfs/dbraw/zinc/89/58/06/671895806.db2.gz WGTZJVCSNBVMBL-UPJWGTAASA-N 1 0 325.369 -1.583 20 0 EAADRO O=C(CO[C@H]1CCOC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070193890 671896088 /nfs/dbraw/zinc/89/60/88/671896088.db2.gz WGTZJVCSNBVMBL-XQQFMLRXSA-N 1 0 325.369 -1.583 20 0 EAADRO Cc1cn(C)nc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070193961 671896037 /nfs/dbraw/zinc/89/60/37/671896037.db2.gz ZVVXEQDWPLMYAK-MNOVXSKESA-N 1 0 332.368 -1.539 20 0 EAADRO CN(C)c1cnc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cn1 ZINC001070194697 671896832 /nfs/dbraw/zinc/89/68/32/671896832.db2.gz JEHWIDBRTSKAOW-OLZOCXBDSA-N 1 0 346.395 -1.218 20 0 EAADRO Cc1cccn(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1=O ZINC001070194754 671896973 /nfs/dbraw/zinc/89/69/73/671896973.db2.gz LKYJASBRDUSHKW-KGLIPLIRSA-N 1 0 346.391 -1.218 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)ncn1 ZINC001070194834 671896777 /nfs/dbraw/zinc/89/67/77/671896777.db2.gz PMSJIZUMUCQMPJ-MNOVXSKESA-N 1 0 346.351 -1.783 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)ncn1 ZINC001070194841 671896466 /nfs/dbraw/zinc/89/64/66/671896466.db2.gz PWRXVNKJZZMJLR-NEPJUHHUSA-N 1 0 333.352 -1.276 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070196060 671896868 /nfs/dbraw/zinc/89/68/68/671896868.db2.gz IRXYBBPDXPMDDI-AXFHLTTASA-N 1 0 348.371 -2.430 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070196061 671896729 /nfs/dbraw/zinc/89/67/29/671896729.db2.gz IRXYBBPDXPMDDI-MXWKQRLJSA-N 1 0 348.371 -2.430 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070196101 671896497 /nfs/dbraw/zinc/89/64/97/671896497.db2.gz KXOAUOHXSWLBDI-AXFHLTTASA-N 1 0 346.355 -2.805 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070196102 671896810 /nfs/dbraw/zinc/89/68/10/671896810.db2.gz KXOAUOHXSWLBDI-MXWKQRLJSA-N 1 0 346.355 -2.805 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1ccnn1C ZINC001070196288 671896905 /nfs/dbraw/zinc/89/69/05/671896905.db2.gz PBDITDBEWXPNEV-LOWVWBTDSA-N 1 0 346.395 -1.358 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1ccnn1C ZINC001070196289 671897449 /nfs/dbraw/zinc/89/74/49/671897449.db2.gz PBDITDBEWXPNEV-WZRBSPASSA-N 1 0 346.395 -1.358 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070196304 671897380 /nfs/dbraw/zinc/89/73/80/671897380.db2.gz POISKYUCAVQGIN-AEJSXWLSSA-N 1 0 334.344 -2.820 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070196305 671897215 /nfs/dbraw/zinc/89/72/15/671897215.db2.gz POISKYUCAVQGIN-BBBLOLIVSA-N 1 0 334.344 -2.820 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070196439 671897468 /nfs/dbraw/zinc/89/74/68/671897468.db2.gz YDKKFOGTNHMUEI-UPJWGTAASA-N 1 0 347.383 -1.657 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070196440 671897284 /nfs/dbraw/zinc/89/72/84/671897284.db2.gz YDKKFOGTNHMUEI-XQQFMLRXSA-N 1 0 347.383 -1.657 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070196490 671897292 /nfs/dbraw/zinc/89/72/92/671897292.db2.gz ALNZHJDPJGMAOQ-LPWJVIDDSA-N 1 0 336.396 -1.473 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1n1ccnn1 ZINC001070196777 671897337 /nfs/dbraw/zinc/89/73/37/671897337.db2.gz KWQUNFNOHAVNDG-PWSUYJOCSA-N 1 0 344.379 -1.439 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070197263 671897260 /nfs/dbraw/zinc/89/72/60/671897260.db2.gz XIWSKIXULDJNND-KKOKHZNYSA-N 1 0 349.395 -1.980 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1n1ccnn1 ZINC001070197906 671897274 /nfs/dbraw/zinc/89/72/74/671897274.db2.gz ANVAHULPSNISRW-MNOVXSKESA-N 1 0 347.383 -1.580 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070197966 671897551 /nfs/dbraw/zinc/89/75/51/671897551.db2.gz FEFWGELPFXLJHX-ZJUUUORDSA-N 1 0 349.355 -2.998 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1n1ccnn1 ZINC001070198191 671897356 /nfs/dbraw/zinc/89/73/56/671897356.db2.gz SDLKZUGEGFABTE-ZJUUUORDSA-N 1 0 333.356 -1.970 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1n1ccnn1 ZINC001070198305 671897374 /nfs/dbraw/zinc/89/73/74/671897374.db2.gz YRZMIDQLBONIEQ-MNOVXSKESA-N 1 0 347.383 -1.581 20 0 EAADRO CCn1ccc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070199299 671897557 /nfs/dbraw/zinc/89/75/57/671897557.db2.gz QRWUTMUNNMOGSM-OLZOCXBDSA-N 1 0 346.395 -1.436 20 0 EAADRO CC(C)(C)n1nnc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070199406 671897360 /nfs/dbraw/zinc/89/73/60/671897360.db2.gz XVEGRDSENNGMLY-MNOVXSKESA-N 1 0 349.399 -1.333 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070201178 671897209 /nfs/dbraw/zinc/89/72/09/671897209.db2.gz KNVFHZZCIPLEBP-JLLWLGSASA-N 1 0 343.409 -1.955 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070201179 671897199 /nfs/dbraw/zinc/89/71/99/671897199.db2.gz KNVFHZZCIPLEBP-WCQGTBRESA-N 1 0 343.409 -1.955 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070201371 671897485 /nfs/dbraw/zinc/89/74/85/671897485.db2.gz PRRJQMOSHRKYIX-MNOVXSKESA-N 1 0 329.382 -2.344 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c(C)nn1 ZINC001070201485 671897520 /nfs/dbraw/zinc/89/75/20/671897520.db2.gz QGQFXYZBKGDEKF-OLZOCXBDSA-N 1 0 344.379 -1.174 20 0 EAADRO Cn1nnc(C(=O)NC2(CNC(=O)CC[NH+](C)C)CCOCC2)n1 ZINC001070202019 671897268 /nfs/dbraw/zinc/89/72/68/671897268.db2.gz COEZPBQQUZACEA-UHFFFAOYSA-N 1 0 339.400 -1.443 20 0 EAADRO O=C(c1cccn2nnnc12)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070202725 671897780 /nfs/dbraw/zinc/89/77/80/671897780.db2.gz LSKFTXPMSRMPDN-NEPJUHHUSA-N 1 0 343.351 -1.637 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070202866 671898129 /nfs/dbraw/zinc/89/81/29/671898129.db2.gz TWTVWNIKMAZZNX-AXFHLTTASA-N 1 0 333.356 -2.215 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070202867 671897883 /nfs/dbraw/zinc/89/78/83/671897883.db2.gz TWTVWNIKMAZZNX-MXWKQRLJSA-N 1 0 333.356 -2.215 20 0 EAADRO O=C(Cn1nccn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070202881 671897699 /nfs/dbraw/zinc/89/76/99/671897699.db2.gz UQLPURVINIWGFT-TUAOUCFPSA-N 1 0 345.367 -2.200 20 0 EAADRO O=C(Cn1nccn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070202882 671897958 /nfs/dbraw/zinc/89/79/58/671897958.db2.gz UQLPURVINIWGFT-UTUOFQBUSA-N 1 0 345.367 -2.200 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070203045 671897997 /nfs/dbraw/zinc/89/79/97/671897997.db2.gz BUBQVKOFXVCWFT-TUAOUCFPSA-N 1 0 347.383 -1.825 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070203046 671897921 /nfs/dbraw/zinc/89/79/21/671897921.db2.gz BUBQVKOFXVCWFT-UTUOFQBUSA-N 1 0 347.383 -1.825 20 0 EAADRO O=C(Cn1nccn1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070203294 671897943 /nfs/dbraw/zinc/89/79/43/671897943.db2.gz REJZUQQBCPICJC-MCIONIFRSA-N 1 0 346.395 -1.052 20 0 EAADRO O=C(Cn1nccn1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070203295 671897868 /nfs/dbraw/zinc/89/78/68/671897868.db2.gz REJZUQQBCPICJC-MJBXVCDLSA-N 1 0 346.395 -1.052 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1n1ccnn1 ZINC001070203341 671897859 /nfs/dbraw/zinc/89/78/59/671897859.db2.gz ULMQRRMZOZQCBB-OLZOCXBDSA-N 1 0 344.379 -1.472 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070203570 671897714 /nfs/dbraw/zinc/89/77/14/671897714.db2.gz CXBQFQLZGDISTO-NSHDSACASA-N 1 0 326.397 -1.262 20 0 EAADRO Cn1ccc(CCC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070204503 671897796 /nfs/dbraw/zinc/89/77/96/671897796.db2.gz ACEQFBJSQKIIEN-OLZOCXBDSA-N 1 0 346.395 -1.529 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070204575 671897682 /nfs/dbraw/zinc/89/76/82/671897682.db2.gz FZLBJTQCUAKIOF-MCIONIFRSA-N 1 0 349.439 -1.021 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070204576 671897841 /nfs/dbraw/zinc/89/78/41/671897841.db2.gz FZLBJTQCUAKIOF-RDBSUJKOSA-N 1 0 349.439 -1.021 20 0 EAADRO Cn1ccc(CCC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070204836 671897903 /nfs/dbraw/zinc/89/79/03/671897903.db2.gz VRXHZTKFUSMCEQ-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO Cn1nccc1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070204842 671897706 /nfs/dbraw/zinc/89/77/06/671897706.db2.gz VYTDGEFRCWEIDK-OLZOCXBDSA-N 1 0 346.395 -1.529 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1=O ZINC001070206058 671898044 /nfs/dbraw/zinc/89/80/44/671898044.db2.gz CJERLXXAGAMDFY-AXFHLTTASA-N 1 0 335.368 -2.417 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1=O ZINC001070206059 671898117 /nfs/dbraw/zinc/89/81/17/671898117.db2.gz CJERLXXAGAMDFY-MXWKQRLJSA-N 1 0 335.368 -2.417 20 0 EAADRO Cn1nccc1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070206071 671898070 /nfs/dbraw/zinc/89/80/70/671898070.db2.gz DAEKNUMTYDXMJP-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1n1ccnn1 ZINC001070206166 671897977 /nfs/dbraw/zinc/89/79/77/671897977.db2.gz JYPOCXQZSHJOEK-NEPJUHHUSA-N 1 0 347.379 -1.800 20 0 EAADRO O=C(CCn1ccccc1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070206231 671897810 /nfs/dbraw/zinc/89/78/10/671897810.db2.gz OQHPEKYFLQHGFM-KGLIPLIRSA-N 1 0 346.391 -1.136 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1n1ccnn1 ZINC001070206268 671897755 /nfs/dbraw/zinc/89/77/55/671897755.db2.gz QLOWDAGBBBIIOI-OLZOCXBDSA-N 1 0 344.379 -1.439 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070206277 671898558 /nfs/dbraw/zinc/89/85/58/671898558.db2.gz RKVOPHYNZVLOHB-NEPJUHHUSA-N 1 0 342.425 -1.325 20 0 EAADRO CCN1C[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1=O ZINC001070206312 671898235 /nfs/dbraw/zinc/89/82/35/671898235.db2.gz UFZRAWIYMUJTDY-UPJWGTAASA-N 1 0 336.396 -1.520 20 0 EAADRO CCN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1=O ZINC001070206313 671898338 /nfs/dbraw/zinc/89/83/38/671898338.db2.gz UFZRAWIYMUJTDY-XQQFMLRXSA-N 1 0 336.396 -1.520 20 0 EAADRO CCN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1=O ZINC001070206326 671898690 /nfs/dbraw/zinc/89/86/90/671898690.db2.gz UVPCGGIDQNGYMW-TUAOUCFPSA-N 1 0 349.395 -2.027 20 0 EAADRO CCN1C[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1=O ZINC001070206327 671898467 /nfs/dbraw/zinc/89/84/67/671898467.db2.gz UVPCGGIDQNGYMW-UTUOFQBUSA-N 1 0 349.395 -2.027 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070206424 671898410 /nfs/dbraw/zinc/89/84/10/671898410.db2.gz ACTHEXJGRAWJHH-RTXFEEFZSA-N 1 0 346.395 -1.151 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070206425 671898497 /nfs/dbraw/zinc/89/84/97/671898497.db2.gz ACTHEXJGRAWJHH-UHTWSYAYSA-N 1 0 346.395 -1.151 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1n1ccnn1 ZINC001070206456 671898668 /nfs/dbraw/zinc/89/86/68/671898668.db2.gz BSJPQVQVICRYDW-YPMHNXCESA-N 1 0 344.379 -1.439 20 0 EAADRO O=C(c1ccc2n[nH]nc2n1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070206657 671898333 /nfs/dbraw/zinc/89/83/33/671898333.db2.gz NIGKTEIRWQICDP-NEPJUHHUSA-N 1 0 343.351 -1.408 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070206696 671898608 /nfs/dbraw/zinc/89/86/08/671898608.db2.gz OZXWYCRHUYZVMN-NEPJUHHUSA-N 1 0 332.368 -1.539 20 0 EAADRO Cc1ncc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)o1 ZINC001070207525 671898435 /nfs/dbraw/zinc/89/84/35/671898435.db2.gz AJRBFNVWKTVYLM-NEPJUHHUSA-N 1 0 333.352 -1.356 20 0 EAADRO Cc1c(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cnn1C ZINC001070207556 671898650 /nfs/dbraw/zinc/89/86/50/671898650.db2.gz CFAJCBNWTDWHDM-OLZOCXBDSA-N 1 0 346.395 -1.610 20 0 EAADRO CCn1nnc(C)c1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070207563 671898442 /nfs/dbraw/zinc/89/84/42/671898442.db2.gz COXIIQFZCMIRRB-NEPJUHHUSA-N 1 0 334.384 -1.154 20 0 EAADRO O=C(Cn1cc(C2CC2)nn1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070207642 671898617 /nfs/dbraw/zinc/89/86/17/671898617.db2.gz GZUSSIDEWHOYLR-KGLIPLIRSA-N 1 0 346.395 -1.219 20 0 EAADRO O=C(c1ccnc2ccnn21)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070207693 671898316 /nfs/dbraw/zinc/89/83/16/671898316.db2.gz JQUXRPXIHZIDPA-YPMHNXCESA-N 1 0 342.363 -1.032 20 0 EAADRO CCn1nnc(C)c1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070207738 671898572 /nfs/dbraw/zinc/89/85/72/671898572.db2.gz LLIZGZIDMZLREQ-MNOVXSKESA-N 1 0 347.383 -1.661 20 0 EAADRO Cc1c(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cnn1C ZINC001070207744 671898361 /nfs/dbraw/zinc/89/83/61/671898361.db2.gz LXXHFRAQENRWHC-KGLIPLIRSA-N 1 0 333.396 -1.103 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070207840 671898368 /nfs/dbraw/zinc/89/83/68/671898368.db2.gz QTUHLDYJLSDNRD-TUAOUCFPSA-N 1 0 349.395 -1.979 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070207841 671898228 /nfs/dbraw/zinc/89/82/28/671898228.db2.gz QTUHLDYJLSDNRD-UTUOFQBUSA-N 1 0 349.395 -1.979 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1 ZINC001070207898 671898382 /nfs/dbraw/zinc/89/83/82/671898382.db2.gz UNTITDNDKHOBAG-MNOVXSKESA-N 1 0 340.359 -1.376 20 0 EAADRO O=C(C[C@H]1CCC(=O)NC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070207985 671898593 /nfs/dbraw/zinc/89/85/93/671898593.db2.gz ZLJBJUCYYZLEAE-UPJWGTAASA-N 1 0 336.396 -1.472 20 0 EAADRO O=C(C[C@@H]1CCC(=O)NC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070207986 671898486 /nfs/dbraw/zinc/89/84/86/671898486.db2.gz ZLJBJUCYYZLEAE-XQQFMLRXSA-N 1 0 336.396 -1.472 20 0 EAADRO O=C(CN1CCOCC1=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070209103 671898623 /nfs/dbraw/zinc/89/86/23/671898623.db2.gz MHJAIPHYQCTOEY-KGLIPLIRSA-N 1 0 348.407 -1.112 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209106 671898678 /nfs/dbraw/zinc/89/86/78/671898678.db2.gz MNOKMILHUPOSCH-NEPJUHHUSA-N 1 0 333.352 -1.485 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070209153 671898353 /nfs/dbraw/zinc/89/83/53/671898353.db2.gz OKAVJKASCGPHKY-AXFHLTTASA-N 1 0 335.368 -2.369 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070209154 671898245 /nfs/dbraw/zinc/89/82/45/671898245.db2.gz OKAVJKASCGPHKY-MXWKQRLJSA-N 1 0 335.368 -2.369 20 0 EAADRO O=C(CN1CCOCC1=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209266 671898603 /nfs/dbraw/zinc/89/86/03/671898603.db2.gz VMUFNADYMUUGKN-NEPJUHHUSA-N 1 0 340.359 -1.552 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1n1ccnn1 ZINC001070210454 671898461 /nfs/dbraw/zinc/89/84/61/671898461.db2.gz GCEJQORYFNAEJO-OLZOCXBDSA-N 1 0 336.396 -1.112 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1n1ccnn1 ZINC001070210459 671898255 /nfs/dbraw/zinc/89/82/55/671898255.db2.gz GNPXSBLJXRFYRY-MNOVXSKESA-N 1 0 346.351 -1.992 20 0 EAADRO Cc1nn(C)cc1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070210491 671898728 /nfs/dbraw/zinc/89/87/28/671898728.db2.gz ILPJTBJTCJAYSS-OLZOCXBDSA-N 1 0 346.395 -1.610 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1n1ccnn1 ZINC001070210498 671898581 /nfs/dbraw/zinc/89/85/81/671898581.db2.gz JPKWBPBRYLMRHP-OLZOCXBDSA-N 1 0 336.396 -1.113 20 0 EAADRO O=C(c1cnc2n[nH]nc2c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070210537 671898390 /nfs/dbraw/zinc/89/83/90/671898390.db2.gz MRTBHPNJXGUPHO-NEPJUHHUSA-N 1 0 343.351 -1.408 20 0 EAADRO O=C(c1cnn2ccncc12)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070210622 671898268 /nfs/dbraw/zinc/89/82/68/671898268.db2.gz ROHUVGXPBQTDLS-OCCSQVGLSA-N 1 0 342.363 -1.032 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1n1ccnn1 ZINC001070210637 671898589 /nfs/dbraw/zinc/89/85/89/671898589.db2.gz SJMZJXPPJFEFJL-RTXFEEFZSA-N 1 0 347.379 -1.097 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1n1ccnn1 ZINC001070210638 671898563 /nfs/dbraw/zinc/89/85/63/671898563.db2.gz SJMZJXPPJFEFJL-UHTWSYAYSA-N 1 0 347.379 -1.097 20 0 EAADRO O=C(CN1CCOCC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070210653 671898716 /nfs/dbraw/zinc/89/87/16/671898716.db2.gz SYBGAYNWWLLFMX-NEPJUHHUSA-N 1 0 338.368 -2.529 20 0 EAADRO Cc1nn(C)cc1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070210702 671899008 /nfs/dbraw/zinc/89/90/08/671899008.db2.gz WRDZWADHZRZVBM-KGLIPLIRSA-N 1 0 333.396 -1.103 20 0 EAADRO O=C(c1cnn2ncccc12)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070210744 671899003 /nfs/dbraw/zinc/89/90/03/671899003.db2.gz ZNLKMNRIWCBWKQ-OCCSQVGLSA-N 1 0 342.363 -1.032 20 0 EAADRO CC(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070211352 671899197 /nfs/dbraw/zinc/89/91/97/671899197.db2.gz BILJOLPYCAYJHS-TUAOUCFPSA-N 1 0 349.395 -1.126 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070211356 671899148 /nfs/dbraw/zinc/89/91/48/671899148.db2.gz BMBFJWGNHSFTKK-RNJOBUHISA-N 1 0 325.369 -1.584 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070211390 671899168 /nfs/dbraw/zinc/89/91/68/671899168.db2.gz DSWZAOFMBWESGU-AXFHLTTASA-N 1 0 335.368 -1.372 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070211403 671899162 /nfs/dbraw/zinc/89/91/62/671899162.db2.gz FNPFVVNVDXYTFE-AXFHLTTASA-N 1 0 335.368 -1.374 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070211416 671899063 /nfs/dbraw/zinc/89/90/63/671899063.db2.gz GGJBNHZFCLTNHM-TUAOUCFPSA-N 1 0 347.379 -1.372 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1n1ccnn1 ZINC001070211450 671899032 /nfs/dbraw/zinc/89/90/32/671899032.db2.gz IFHPCYOWWRVVQE-PWSUYJOCSA-N 1 0 344.379 -1.439 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070211468 671899113 /nfs/dbraw/zinc/89/91/13/671899113.db2.gz IYENBMLAXPJYAW-NOHGZBONSA-N 1 0 338.368 -2.091 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070211627 671899227 /nfs/dbraw/zinc/89/92/27/671899227.db2.gz RQBXURQCZZANAY-AEJSXWLSSA-N 1 0 339.331 -1.813 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070211633 671899250 /nfs/dbraw/zinc/89/92/50/671899250.db2.gz SDMZIAGSDTZWHB-AEJSXWLSSA-N 1 0 337.340 -2.790 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070212309 671899027 /nfs/dbraw/zinc/89/90/27/671899027.db2.gz CLVUPERZSHLIEZ-WFFHOREQSA-N 1 0 344.379 -1.368 20 0 EAADRO Cc1ncn(C)c1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070212343 671898921 /nfs/dbraw/zinc/89/89/21/671898921.db2.gz FDQYFSAHFZYMTB-TUAOUCFPSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1ncn(C)c1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070212344 671899022 /nfs/dbraw/zinc/89/90/22/671899022.db2.gz FDQYFSAHFZYMTB-UTUOFQBUSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1cc(OCC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)no1 ZINC001070212500 671899058 /nfs/dbraw/zinc/89/90/58/671899058.db2.gz HZBXPBINUSQWQG-MNOVXSKESA-N 1 0 349.351 -1.520 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cc1=O ZINC001070212535 671898980 /nfs/dbraw/zinc/89/89/80/671898980.db2.gz JOITURIUFVHBBU-NEPJUHHUSA-N 1 0 333.352 -1.981 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1n1ccnn1 ZINC001070212541 671899082 /nfs/dbraw/zinc/89/90/82/671899082.db2.gz KHQDBBCQVAQEDH-RTXFEEFZSA-N 1 0 347.379 -1.592 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1n1ccnn1 ZINC001070212542 671899097 /nfs/dbraw/zinc/89/90/97/671899097.db2.gz KHQDBBCQVAQEDH-UHTWSYAYSA-N 1 0 347.379 -1.592 20 0 EAADRO O=C(c1cnc2n1CCOC2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070212720 671899156 /nfs/dbraw/zinc/89/91/56/671899156.db2.gz PHNDOWXHTBNJAH-YPMHNXCESA-N 1 0 347.379 -1.348 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)cc1=O ZINC001070212842 671899075 /nfs/dbraw/zinc/89/90/75/671899075.db2.gz SUCOQUSKMDVUIM-NEPJUHHUSA-N 1 0 335.343 -1.003 20 0 EAADRO CCc1c[nH]c(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070212898 671899186 /nfs/dbraw/zinc/89/91/86/671899186.db2.gz WRROBDDNMRAKHJ-NEPJUHHUSA-N 1 0 346.395 -1.367 20 0 EAADRO Cc1cc(OCC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)no1 ZINC001070212918 671899121 /nfs/dbraw/zinc/89/91/21/671899121.db2.gz XUKVDDLLLKWQBL-NEPJUHHUSA-N 1 0 336.352 -1.013 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cc1=O ZINC001070212936 671899107 /nfs/dbraw/zinc/89/91/07/671899107.db2.gz YVQCGCFWYCAXNK-MNOVXSKESA-N 1 0 346.351 -2.488 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070212972 671899218 /nfs/dbraw/zinc/89/92/18/671899218.db2.gz BGUXIZBHVBKCJR-GDPRMGEGSA-N 1 0 346.351 -1.697 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070212973 671898972 /nfs/dbraw/zinc/89/89/72/671898972.db2.gz BGUXIZBHVBKCJR-IEBDPFPHSA-N 1 0 346.351 -1.697 20 0 EAADRO Cc1cc(=O)c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cn1C ZINC001070212981 671899130 /nfs/dbraw/zinc/89/91/30/671899130.db2.gz BXFPHFPXPUPQHX-KGLIPLIRSA-N 1 0 346.391 -1.067 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070213053 671899100 /nfs/dbraw/zinc/89/91/00/671899100.db2.gz GHROWMARMCDWPS-AEJSXWLSSA-N 1 0 337.384 -1.995 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070213054 671898945 /nfs/dbraw/zinc/89/89/45/671898945.db2.gz GHROWMARMCDWPS-BBBLOLIVSA-N 1 0 337.384 -1.995 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001070213172 671899019 /nfs/dbraw/zinc/89/90/19/671899019.db2.gz HEQSNZXPERYYQA-JLLWLGSASA-N 1 0 333.352 -1.190 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001070213173 671899086 /nfs/dbraw/zinc/89/90/86/671899086.db2.gz HEQSNZXPERYYQA-WCQGTBRESA-N 1 0 333.352 -1.190 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001070213181 671899070 /nfs/dbraw/zinc/89/90/70/671899070.db2.gz HNIRKFQOTLSOQR-ZJUUUORDSA-N 1 0 332.324 -2.086 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001070213182 671899014 /nfs/dbraw/zinc/89/90/14/671899014.db2.gz HNOQNMZANKIRFK-MNOVXSKESA-N 1 0 335.393 -1.196 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC[N@@H+]1C ZINC001070213251 671899066 /nfs/dbraw/zinc/89/90/66/671899066.db2.gz GQDGIXQQYDETDM-RYUDHWBXSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070213346 671898962 /nfs/dbraw/zinc/89/89/62/671898962.db2.gz LFTLVOVLPZMVEJ-AXFHLTTASA-N 1 0 349.395 -1.980 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070213347 671899576 /nfs/dbraw/zinc/89/95/76/671899576.db2.gz LFTLVOVLPZMVEJ-MXWKQRLJSA-N 1 0 349.395 -1.980 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001070213481 671899692 /nfs/dbraw/zinc/89/96/92/671899692.db2.gz PGAUXMDERXKQMD-AXFHLTTASA-N 1 0 335.368 -2.369 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001070213482 671899677 /nfs/dbraw/zinc/89/96/77/671899677.db2.gz PGAUXMDERXKQMD-MXWKQRLJSA-N 1 0 335.368 -2.369 20 0 EAADRO Cc1ncn(C)c1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070213731 671899612 /nfs/dbraw/zinc/89/96/12/671899612.db2.gz VDEUOMIOVNHYFC-MNOVXSKESA-N 1 0 332.368 -1.539 20 0 EAADRO CN1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1=O ZINC001070214021 671899730 /nfs/dbraw/zinc/89/97/30/671899730.db2.gz ANKDHGZFJRKHEN-TUAOUCFPSA-N 1 0 349.395 -2.027 20 0 EAADRO CN1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1=O ZINC001070214022 671899669 /nfs/dbraw/zinc/89/96/69/671899669.db2.gz ANKDHGZFJRKHEN-UTUOFQBUSA-N 1 0 349.395 -2.027 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070214134 671899662 /nfs/dbraw/zinc/89/96/62/671899662.db2.gz GPPPIZRSHBYTKV-GDPRMGEGSA-N 1 0 346.351 -1.697 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001070214135 671899702 /nfs/dbraw/zinc/89/97/02/671899702.db2.gz GPPPIZRSHBYTKV-IEBDPFPHSA-N 1 0 346.351 -1.697 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070214244 671899458 /nfs/dbraw/zinc/89/94/58/671899458.db2.gz LZMMJABINYDPQD-AEJSXWLSSA-N 1 0 348.367 -1.456 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070214245 671899544 /nfs/dbraw/zinc/89/95/44/671899544.db2.gz LZMMJABINYDPQD-BBBLOLIVSA-N 1 0 348.367 -1.456 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070214294 671899421 /nfs/dbraw/zinc/89/94/21/671899421.db2.gz PIARIMJLXAHKTL-JLLWLGSASA-N 1 0 333.352 -1.190 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070214295 671899645 /nfs/dbraw/zinc/89/96/45/671899645.db2.gz PIARIMJLXAHKTL-WCQGTBRESA-N 1 0 333.352 -1.190 20 0 EAADRO CCc1nn(C)cc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070214447 671899650 /nfs/dbraw/zinc/89/96/50/671899650.db2.gz RUJLFPMXBKPPGC-OLZOCXBDSA-N 1 0 346.395 -1.285 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070214509 671899552 /nfs/dbraw/zinc/89/95/52/671899552.db2.gz WEFANTSJZQLQOK-BDAKNGLRSA-N 1 0 334.340 -1.844 20 0 EAADRO CN1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1=O ZINC001070214583 671899589 /nfs/dbraw/zinc/89/95/89/671899589.db2.gz XMINCKOMPKJMAT-UPJWGTAASA-N 1 0 336.396 -1.520 20 0 EAADRO CN1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1=O ZINC001070214585 671899598 /nfs/dbraw/zinc/89/95/98/671899598.db2.gz XMINCKOMPKJMAT-XQQFMLRXSA-N 1 0 336.396 -1.520 20 0 EAADRO CC[C@@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001070215082 671899516 /nfs/dbraw/zinc/89/95/16/671899516.db2.gz AGABSNPAPNYJLA-TYNCELHUSA-N 1 0 336.396 -1.472 20 0 EAADRO CC[C@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001070215083 671899583 /nfs/dbraw/zinc/89/95/83/671899583.db2.gz AGABSNPAPNYJLA-XUJVJEKNSA-N 1 0 336.396 -1.472 20 0 EAADRO COCCn1nccc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070215186 671899538 /nfs/dbraw/zinc/89/95/38/671899538.db2.gz HNZDZHQOPOEYJW-OCCSQVGLSA-N 1 0 349.395 -1.231 20 0 EAADRO CC[C@@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001070215206 671899640 /nfs/dbraw/zinc/89/96/40/671899640.db2.gz IYJIOPAJMLPNPZ-JRPNMDOOSA-N 1 0 349.395 -1.979 20 0 EAADRO CC[C@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001070215207 671899505 /nfs/dbraw/zinc/89/95/05/671899505.db2.gz IYJIOPAJMLPNPZ-ZETOZRRWSA-N 1 0 349.395 -1.979 20 0 EAADRO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070215215 671899561 /nfs/dbraw/zinc/89/95/61/671899561.db2.gz JLUZEOUCDQXTDX-NMKXLXIOSA-N 1 0 336.396 -1.080 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070215308 671899627 /nfs/dbraw/zinc/89/96/27/671899627.db2.gz QIUWBZBGILPART-ZJUUUORDSA-N 1 0 332.324 -2.086 20 0 EAADRO CCOc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001070216265 671900086 /nfs/dbraw/zinc/90/00/86/671900086.db2.gz KCMMZYFQRVZUIB-MNOVXSKESA-N 1 0 348.367 -1.460 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)O1 ZINC001070217556 671899974 /nfs/dbraw/zinc/89/99/74/671899974.db2.gz IDNZWNFWQQOOLW-YIYPIFLZSA-N 1 0 338.412 -1.669 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCNC(=O)C1 ZINC001070217567 671900025 /nfs/dbraw/zinc/90/00/25/671900025.db2.gz IQZRGPDKGWYTMW-JRPNMDOOSA-N 1 0 349.395 -1.979 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCNC(=O)C1 ZINC001070217568 671899824 /nfs/dbraw/zinc/89/98/24/671899824.db2.gz IQZRGPDKGWYTMW-ZETOZRRWSA-N 1 0 349.395 -1.979 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c(=O)[nH]c1C ZINC001070217781 671900047 /nfs/dbraw/zinc/90/00/47/671900047.db2.gz RQQUGHVUXUVKFF-NEPJUHHUSA-N 1 0 347.379 -1.374 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCNC(=O)C1 ZINC001070217911 671900035 /nfs/dbraw/zinc/90/00/35/671900035.db2.gz YDPHNGUTDXDGRE-TYNCELHUSA-N 1 0 336.396 -1.472 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCNC(=O)C1 ZINC001070217912 671900104 /nfs/dbraw/zinc/90/01/04/671900104.db2.gz YDPHNGUTDXDGRE-XUJVJEKNSA-N 1 0 336.396 -1.472 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cc1=O ZINC001070218460 671900039 /nfs/dbraw/zinc/90/00/39/671900039.db2.gz HZKUQBXSGNQYRB-NEPJUHHUSA-N 1 0 345.363 -1.883 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070218543 671900006 /nfs/dbraw/zinc/90/00/06/671900006.db2.gz MIVHJALTGLIHAP-MXWKQRLJSA-N 1 0 335.368 -2.226 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cc1=O ZINC001070218899 671899936 /nfs/dbraw/zinc/89/99/36/671899936.db2.gz SLFOVEYRXQUHBD-OLZOCXBDSA-N 1 0 332.364 -1.376 20 0 EAADRO O=C(c1cn2c(n1)COCC2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070218944 671899998 /nfs/dbraw/zinc/89/99/98/671899998.db2.gz VHRJFFWQKGMYSV-YPMHNXCESA-N 1 0 347.379 -1.348 20 0 EAADRO CC1CC[NH+](CC(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC1 ZINC001070219357 671899921 /nfs/dbraw/zinc/89/99/21/671899921.db2.gz MMVOJKSAPAPGOO-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070219711 671900372 /nfs/dbraw/zinc/90/03/72/671900372.db2.gz GBWDBPWTSWSOCG-AGIUHOORSA-N 1 0 335.412 -1.411 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070219712 671900555 /nfs/dbraw/zinc/90/05/55/671900555.db2.gz GBWDBPWTSWSOCG-UPJWGTAASA-N 1 0 335.412 -1.411 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)S(C)(=O)=O ZINC001070220008 671900453 /nfs/dbraw/zinc/90/04/53/671900453.db2.gz XJFYHTZBVNMMEU-AXFHLTTASA-N 1 0 331.398 -1.955 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)S(C)(=O)=O ZINC001070220009 671900394 /nfs/dbraw/zinc/90/03/94/671900394.db2.gz XJFYHTZBVNMMEU-MXWKQRLJSA-N 1 0 331.398 -1.955 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@@H]1n1ccnn1 ZINC001070220490 671900424 /nfs/dbraw/zinc/90/04/24/671900424.db2.gz ICQZVDQVKAWMSC-OLZOCXBDSA-N 1 0 347.354 -1.118 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1n1ccnn1 ZINC001070220533 671900656 /nfs/dbraw/zinc/90/06/56/671900656.db2.gz KESVHLFKMLIBSM-KGLIPLIRSA-N 1 0 349.439 -1.198 20 0 EAADRO CN1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1=O ZINC001070220663 671900325 /nfs/dbraw/zinc/90/03/25/671900325.db2.gz LZUYEEQVNMUUKW-TUAOUCFPSA-N 1 0 349.395 -2.027 20 0 EAADRO CN1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1=O ZINC001070220664 671900387 /nfs/dbraw/zinc/90/03/87/671900387.db2.gz LZUYEEQVNMUUKW-UTUOFQBUSA-N 1 0 349.395 -2.027 20 0 EAADRO CN1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1=O ZINC001070220707 671900296 /nfs/dbraw/zinc/90/02/96/671900296.db2.gz NZRIFHSQRGTAKS-UPJWGTAASA-N 1 0 336.396 -1.520 20 0 EAADRO CN1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1=O ZINC001070220708 671900546 /nfs/dbraw/zinc/90/05/46/671900546.db2.gz NZRIFHSQRGTAKS-XQQFMLRXSA-N 1 0 336.396 -1.520 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1n1ccnn1 ZINC001070220734 671900332 /nfs/dbraw/zinc/90/03/32/671900332.db2.gz PDMBZEMQJIJWMD-KGLIPLIRSA-N 1 0 349.439 -1.196 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1n1ccnn1 ZINC001070221228 671900654 /nfs/dbraw/zinc/90/06/54/671900654.db2.gz ZHZWZOLSKAVJOC-OLZOCXBDSA-N 1 0 335.412 -1.587 20 0 EAADRO CC(C)C[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1n1ccnn1 ZINC001070222003 671900630 /nfs/dbraw/zinc/90/06/30/671900630.db2.gz BTVCQXIMKDDPGP-OLZOCXBDSA-N 1 0 348.411 -1.129 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1n1ccnn1 ZINC001070222313 671900535 /nfs/dbraw/zinc/90/05/35/671900535.db2.gz IYGXKXBHTGTLAT-NEPJUHHUSA-N 1 0 334.384 -1.377 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)c1=O ZINC001070222356 671900350 /nfs/dbraw/zinc/90/03/50/671900350.db2.gz KRGUMUJTETXQNX-MNOVXSKESA-N 1 0 338.347 -1.816 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070222480 671900639 /nfs/dbraw/zinc/90/06/39/671900639.db2.gz MJDSRRCVOHYAKE-NEPJUHHUSA-N 1 0 343.409 -1.953 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1n1ccnn1 ZINC001070222555 671900577 /nfs/dbraw/zinc/90/05/77/671900577.db2.gz QEFCQZRANIXHHR-NEPJUHHUSA-N 1 0 334.384 -1.375 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)c1=O ZINC001070222803 671900417 /nfs/dbraw/zinc/90/04/17/671900417.db2.gz SJCQBFGTIFPTES-OLZOCXBDSA-N 1 0 346.395 -1.375 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1=O ZINC001070222854 671900353 /nfs/dbraw/zinc/90/03/53/671900353.db2.gz WERDHEHXEJDVKB-ZJUUUORDSA-N 1 0 349.355 -3.300 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1=O ZINC001070223011 671900507 /nfs/dbraw/zinc/90/05/07/671900507.db2.gz ZKFAISLFNVSTJY-MNOVXSKESA-N 1 0 336.356 -2.793 20 0 EAADRO C[NH+](C)CC1(C(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)CC1 ZINC001070223125 671900349 /nfs/dbraw/zinc/90/03/49/671900349.db2.gz BMWCPMXQBCFZQO-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[NH+](C)CCCC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070223272 671900610 /nfs/dbraw/zinc/90/06/10/671900610.db2.gz GPNUSTFKCABTMP-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO C[NH+](C)CCCC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 ZINC001070223339 671900404 /nfs/dbraw/zinc/90/04/04/671900404.db2.gz IJTWGETXHYBMRT-UHFFFAOYSA-N 1 0 343.428 -1.222 20 0 EAADRO C[NH+](C)CC1(C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC1 ZINC001070223539 671901134 /nfs/dbraw/zinc/90/11/34/671901134.db2.gz OZOONMKMSPTIGJ-UHFFFAOYSA-N 1 0 326.397 -1.405 20 0 EAADRO CCc1n[nH]cc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070223862 671901119 /nfs/dbraw/zinc/90/11/19/671901119.db2.gz AMWICYLYYIXIGK-NEPJUHHUSA-N 1 0 332.368 -1.296 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070223948 671900834 /nfs/dbraw/zinc/90/08/34/671900834.db2.gz FWDJTNXZFRRUOD-HZSPNIEDSA-N 1 0 338.412 -1.667 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070223949 671901042 /nfs/dbraw/zinc/90/10/42/671901042.db2.gz FWDJTNXZFRRUOD-RDBSUJKOSA-N 1 0 338.412 -1.667 20 0 EAADRO CN(C)Cc1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)no1 ZINC001070224036 671901055 /nfs/dbraw/zinc/90/10/55/671901055.db2.gz JOPFKVVSRLDLNU-KGLIPLIRSA-N 1 0 349.395 -1.025 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070224116 671900938 /nfs/dbraw/zinc/90/09/38/671900938.db2.gz NYOGFAVUCMBVFZ-AXFHLTTASA-N 1 0 335.368 -2.369 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070224117 671901174 /nfs/dbraw/zinc/90/11/74/671901174.db2.gz NYOGFAVUCMBVFZ-MXWKQRLJSA-N 1 0 335.368 -2.369 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1 ZINC001070224222 671900894 /nfs/dbraw/zinc/90/08/94/671900894.db2.gz TYYQSRPWUNVTKK-NEPJUHHUSA-N 1 0 344.379 -1.370 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001070224340 671900850 /nfs/dbraw/zinc/90/08/50/671900850.db2.gz AEHBNKVFDSRCKF-OLZOCXBDSA-N 1 0 342.367 -1.015 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070224392 671901137 /nfs/dbraw/zinc/90/11/37/671901137.db2.gz CVWIZHFLJKWJIB-GDPRMGEGSA-N 1 0 331.340 -2.060 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070224393 671900952 /nfs/dbraw/zinc/90/09/52/671900952.db2.gz CVWIZHFLJKWJIB-IEBDPFPHSA-N 1 0 331.340 -2.060 20 0 EAADRO COCc1nn(C)cc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224413 671901167 /nfs/dbraw/zinc/90/11/67/671901167.db2.gz FCLULMQGYMTOQC-OCCSQVGLSA-N 1 0 349.395 -1.194 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2n2ccnn2)cn1 ZINC001070224460 671901066 /nfs/dbraw/zinc/90/10/66/671901066.db2.gz HLKQIIGAJAQWDP-OLZOCXBDSA-N 1 0 342.367 -1.015 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)ccc1=O ZINC001070224493 671901142 /nfs/dbraw/zinc/90/11/42/671901142.db2.gz JCGZBRBVEJBZHW-NEPJUHHUSA-N 1 0 345.363 -1.883 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001070224540 671901159 /nfs/dbraw/zinc/90/11/59/671901159.db2.gz LOTTXRRVMLWHGN-OLZOCXBDSA-N 1 0 342.367 -1.015 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070224549 671901033 /nfs/dbraw/zinc/90/10/33/671901033.db2.gz MBYCAJVSEQFYKQ-OLZOCXBDSA-N 1 0 342.367 -1.052 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1n1ccnn1 ZINC001070224618 671901127 /nfs/dbraw/zinc/90/11/27/671901127.db2.gz QEKAOSIITNXZKQ-NEPJUHHUSA-N 1 0 349.395 -1.883 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2n2ccnn2)C1=O ZINC001070224627 671900905 /nfs/dbraw/zinc/90/09/05/671900905.db2.gz QLUBZNAYTJEAAD-JLLWLGSASA-N 1 0 345.367 -1.718 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2n2ccnn2)C1=O ZINC001070224628 671900972 /nfs/dbraw/zinc/90/09/72/671900972.db2.gz QLUBZNAYTJEAAD-WCQGTBRESA-N 1 0 345.367 -1.718 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)ccn1 ZINC001070224648 671900930 /nfs/dbraw/zinc/90/09/30/671900930.db2.gz RPDZYYPEBSEOMH-NEPJUHHUSA-N 1 0 345.363 -1.178 20 0 EAADRO O=C(CN1CCCCC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224649 671900995 /nfs/dbraw/zinc/90/09/95/671900995.db2.gz RPHPTZLBPUOSRQ-OLZOCXBDSA-N 1 0 336.396 -1.376 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070224702 671901115 /nfs/dbraw/zinc/90/11/15/671901115.db2.gz VGNCFZJQXZCAEJ-NEPJUHHUSA-N 1 0 343.355 -1.657 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070224711 671901010 /nfs/dbraw/zinc/90/10/10/671901010.db2.gz VQRAWANVIPBASK-GDPRMGEGSA-N 1 0 333.356 -1.685 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070224712 671900986 /nfs/dbraw/zinc/90/09/86/671900986.db2.gz VQRAWANVIPBASK-IEBDPFPHSA-N 1 0 333.356 -1.685 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070224742 671900809 /nfs/dbraw/zinc/90/08/09/671900809.db2.gz WDPGRRSCJCWCGD-JLLWLGSASA-N 1 0 345.367 -1.670 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070224744 671900817 /nfs/dbraw/zinc/90/08/17/671900817.db2.gz WDPGRRSCJCWCGD-WCQGTBRESA-N 1 0 345.367 -1.670 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070224838 671901154 /nfs/dbraw/zinc/90/11/54/671901154.db2.gz WLFKTJOTNBXAJA-NEPJUHHUSA-N 1 0 345.367 -1.716 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCOCC1 ZINC001070225019 671901389 /nfs/dbraw/zinc/90/13/89/671901389.db2.gz FUKMRDQPEORMAZ-LLVKDONJSA-N 1 0 341.412 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCOCC1 ZINC001070225020 671901382 /nfs/dbraw/zinc/90/13/82/671901382.db2.gz FUKMRDQPEORMAZ-NSHDSACASA-N 1 0 341.412 -1.599 20 0 EAADRO NC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001070225873 671901911 /nfs/dbraw/zinc/90/19/11/671901911.db2.gz ANVVZSFIURGRGG-OLZOCXBDSA-N 1 0 347.423 -1.267 20 0 EAADRO O=C(CN1CCCNC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070225910 671901950 /nfs/dbraw/zinc/90/19/50/671901950.db2.gz CZMMLNLUBHFDLZ-NEPJUHHUSA-N 1 0 337.384 -1.973 20 0 EAADRO Cc1nnccc1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070225989 671901863 /nfs/dbraw/zinc/90/18/63/671901863.db2.gz IEJDDJWNULURAL-RTXFEEFZSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1nnccc1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070225990 671902037 /nfs/dbraw/zinc/90/20/37/671902037.db2.gz IEJDDJWNULURAL-UHTWSYAYSA-N 1 0 344.379 -1.094 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)ccc1=O ZINC001070226030 671901945 /nfs/dbraw/zinc/90/19/45/671901945.db2.gz KRACBZZWNGBBRO-OLZOCXBDSA-N 1 0 332.364 -1.376 20 0 EAADRO Cc1nnccc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070226033 671901814 /nfs/dbraw/zinc/90/18/14/671901814.db2.gz KUPOAVQQHZZCCB-NEPJUHHUSA-N 1 0 330.352 -1.483 20 0 EAADRO O=C(c1cn2cccnc2n1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070226176 671901891 /nfs/dbraw/zinc/90/18/91/671901891.db2.gz SUPARVMGAVGDAT-YPMHNXCESA-N 1 0 342.363 -1.032 20 0 EAADRO CCc1c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cnn1C ZINC001070226270 671901844 /nfs/dbraw/zinc/90/18/44/671901844.db2.gz YORFFPLVRDXNBW-YPMHNXCESA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070226984 671901832 /nfs/dbraw/zinc/90/18/32/671901832.db2.gz FNTGNZJWJNKTAA-YPMHNXCESA-N 1 0 347.379 -1.637 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070226993 671901741 /nfs/dbraw/zinc/90/17/41/671901741.db2.gz GBNZXUZXIOGLNP-FOGDFJRCSA-N 1 0 332.368 -1.459 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070226994 671901955 /nfs/dbraw/zinc/90/19/55/671901955.db2.gz GBNZXUZXIOGLNP-UMNHJUIQSA-N 1 0 332.368 -1.459 20 0 EAADRO Cn1cncc1C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070227084 671901941 /nfs/dbraw/zinc/90/19/41/671901941.db2.gz KRQGKLLRLPTZNX-LOWVWBTDSA-N 1 0 344.379 -1.445 20 0 EAADRO Cn1cncc1C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070227085 671901820 /nfs/dbraw/zinc/90/18/20/671901820.db2.gz KRQGKLLRLPTZNX-WZRBSPASSA-N 1 0 344.379 -1.445 20 0 EAADRO CCOc1nc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)co1 ZINC001070227205 671901899 /nfs/dbraw/zinc/90/18/99/671901899.db2.gz RADIULFKUOWAMQ-KOLCDFICSA-N 1 0 349.351 -1.195 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070227246 671901768 /nfs/dbraw/zinc/90/17/68/671901768.db2.gz UDITYHVZCCVXQI-LOWVWBTDSA-N 1 0 346.395 -1.069 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070227247 671902029 /nfs/dbraw/zinc/90/20/29/671902029.db2.gz UDITYHVZCCVXQI-WZRBSPASSA-N 1 0 346.395 -1.069 20 0 EAADRO O=C(c1cnn2c1OCCC2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070227265 671902006 /nfs/dbraw/zinc/90/20/06/671902006.db2.gz UWLSSBQAWPLCFB-OLZOCXBDSA-N 1 0 347.379 -1.095 20 0 EAADRO O=C(c1cccc2ncnn21)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070227301 671901853 /nfs/dbraw/zinc/90/18/53/671901853.db2.gz XHZHZISPNOGJCK-YPMHNXCESA-N 1 0 342.363 -1.032 20 0 EAADRO NC(=O)C(=O)NC1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCOCC1 ZINC001070227400 671901778 /nfs/dbraw/zinc/90/17/78/671901778.db2.gz BUOMTFLXHXBQHE-HNNXBMFYSA-N 1 0 338.408 -1.261 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 ZINC001070227503 671902264 /nfs/dbraw/zinc/90/22/64/671902264.db2.gz GZZPETXWCLEAHP-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 ZINC001070227504 671902404 /nfs/dbraw/zinc/90/24/04/671902404.db2.gz GZZPETXWCLEAHP-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(NC(=O)C(N)=O)CCOCC1)[NH+](C)C ZINC001070227589 671902354 /nfs/dbraw/zinc/90/23/54/671902354.db2.gz KGIJEGSTBWFVEC-LLVKDONJSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(NC(=O)C(N)=O)CCOCC1)[NH+](C)C ZINC001070227590 671902235 /nfs/dbraw/zinc/90/22/35/671902235.db2.gz KGIJEGSTBWFVEC-NSHDSACASA-N 1 0 328.413 -1.161 20 0 EAADRO NC(=O)C(=O)NC1(CNC(=O)C23CCC[NH+]2CCC3)CCOCC1 ZINC001070227629 671902249 /nfs/dbraw/zinc/90/22/49/671902249.db2.gz LMDZQTIJHBXVDZ-UHFFFAOYSA-N 1 0 338.408 -1.118 20 0 EAADRO CC1CC[NH+](CC(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC1 ZINC001070227733 671902702 /nfs/dbraw/zinc/90/27/02/671902702.db2.gz OXGWIGRAHXLGFC-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070227735 671902767 /nfs/dbraw/zinc/90/27/67/671902767.db2.gz OYSMRZBVCWRBMP-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070227886 671902721 /nfs/dbraw/zinc/90/27/21/671902721.db2.gz VVOKCGPGNJWUHG-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO C[NH+](C)CCOCC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070227920 671902698 /nfs/dbraw/zinc/90/26/98/671902698.db2.gz XCKZREJHLCHUTM-UHFFFAOYSA-N 1 0 330.385 -2.169 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC1 ZINC001070227951 671902666 /nfs/dbraw/zinc/90/26/66/671902666.db2.gz YQQFSDRCXLXUIQ-UHFFFAOYSA-N 1 0 326.397 -1.405 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070228164 671902739 /nfs/dbraw/zinc/90/27/39/671902739.db2.gz KYLFLOMBOOJIKC-MNOVXSKESA-N 1 0 333.352 -1.398 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070228206 671903008 /nfs/dbraw/zinc/90/30/08/671903008.db2.gz MTHVUAVESHVLNM-NEPJUHHUSA-N 1 0 347.379 -1.010 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070228235 671903166 /nfs/dbraw/zinc/90/31/66/671903166.db2.gz ONCZESSFNOLOHS-MNOVXSKESA-N 1 0 349.351 -2.426 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070228320 671903134 /nfs/dbraw/zinc/90/31/34/671903134.db2.gz UJQYLADTBXJIIP-NEPJUHHUSA-N 1 0 347.379 -1.008 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228549 671903124 /nfs/dbraw/zinc/90/31/24/671903124.db2.gz DVAKSHPLTRCLBP-LLVKDONJSA-N 1 0 346.403 -1.067 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228550 671902997 /nfs/dbraw/zinc/90/29/97/671902997.db2.gz DVAKSHPLTRCLBP-NSHDSACASA-N 1 0 346.403 -1.067 20 0 EAADRO C[NH+]1CCC(CC(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC1 ZINC001070228633 671903074 /nfs/dbraw/zinc/90/30/74/671903074.db2.gz HZHWMHSXAYDBJQ-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 ZINC001070228706 671903417 /nfs/dbraw/zinc/90/34/17/671903417.db2.gz KPJFSEGXKFOFDR-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 ZINC001070228707 671903545 /nfs/dbraw/zinc/90/35/45/671903545.db2.gz KPJFSEGXKFOFDR-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228750 671903464 /nfs/dbraw/zinc/90/34/64/671903464.db2.gz MKWIOWYNGXZAKF-LLVKDONJSA-N 1 0 326.397 -1.262 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228751 671903640 /nfs/dbraw/zinc/90/36/40/671903640.db2.gz MKWIOWYNGXZAKF-NSHDSACASA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C(=O)NC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001070228764 671903636 /nfs/dbraw/zinc/90/36/36/671903636.db2.gz MTLTXKWJUSMGCB-GFCCVEGCSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C(=O)NC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001070228765 671903609 /nfs/dbraw/zinc/90/36/09/671903609.db2.gz MTLTXKWJUSMGCB-LBPRGKRZSA-N 1 0 338.408 -1.405 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CCC1 ZINC001070228817 671903587 /nfs/dbraw/zinc/90/35/87/671903587.db2.gz PBMZCWPXOHZGID-UHFFFAOYSA-N 1 0 326.397 -1.262 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 ZINC001070228858 671903654 /nfs/dbraw/zinc/90/36/54/671903654.db2.gz QWKPRGCBUYYAQY-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228859 671903678 /nfs/dbraw/zinc/90/36/78/671903678.db2.gz QWUMVKNUVSVMRR-GHMZBOCLSA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228860 671903376 /nfs/dbraw/zinc/90/33/76/671903376.db2.gz QWUMVKNUVSVMRR-MNOVXSKESA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228861 671903401 /nfs/dbraw/zinc/90/34/01/671903401.db2.gz QWUMVKNUVSVMRR-QWRGUYRKSA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228862 671903431 /nfs/dbraw/zinc/90/34/31/671903431.db2.gz QWUMVKNUVSVMRR-WDEREUQCSA-N 1 0 326.397 -1.549 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(NC(=O)C(N)=O)CCOCC1)C1CC1 ZINC001070228963 671903936 /nfs/dbraw/zinc/90/39/36/671903936.db2.gz VDONYHHWKFYPSQ-LLVKDONJSA-N 1 0 326.397 -1.407 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(NC(=O)C(N)=O)CCOCC1)C1CC1 ZINC001070228964 671903819 /nfs/dbraw/zinc/90/38/19/671903819.db2.gz VDONYHHWKFYPSQ-NSHDSACASA-N 1 0 326.397 -1.407 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070229018 671904008 /nfs/dbraw/zinc/90/40/08/671904008.db2.gz XMUDBTXTDAYIRY-UHFFFAOYSA-N 1 0 328.413 -1.016 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC1 ZINC001070229029 671903981 /nfs/dbraw/zinc/90/39/81/671903981.db2.gz XXGACSXRECYEAA-UHFFFAOYSA-N 1 0 326.397 -1.405 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070229255 671903899 /nfs/dbraw/zinc/90/38/99/671903899.db2.gz IWVCAQLZDXJZAX-UPJWGTAASA-N 1 0 336.396 -1.329 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070229256 671903925 /nfs/dbraw/zinc/90/39/25/671903925.db2.gz IWVCAQLZDXJZAX-XQQFMLRXSA-N 1 0 336.396 -1.329 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070229263 671904051 /nfs/dbraw/zinc/90/40/51/671904051.db2.gz JJXFCPQATHRAQG-TUAOUCFPSA-N 1 0 343.409 -1.953 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070229264 671903852 /nfs/dbraw/zinc/90/38/52/671903852.db2.gz JJXFCPQATHRAQG-UTUOFQBUSA-N 1 0 343.409 -1.953 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070229338 671903987 /nfs/dbraw/zinc/90/39/87/671903987.db2.gz MKWFTPCANKTALH-TUAOUCFPSA-N 1 0 349.395 -1.836 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070229339 671903962 /nfs/dbraw/zinc/90/39/62/671903962.db2.gz MKWFTPCANKTALH-UTUOFQBUSA-N 1 0 349.395 -1.836 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1n1ccnn1 ZINC001070229353 671904025 /nfs/dbraw/zinc/90/40/25/671904025.db2.gz NFKRIEVUGHGRGR-BDAKNGLRSA-N 1 0 347.335 -1.889 20 0 EAADRO Cc1cc(C)n(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070229425 671904042 /nfs/dbraw/zinc/90/40/42/671904042.db2.gz RDCMJRXOJCBCKI-OLZOCXBDSA-N 1 0 346.395 -1.382 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070229489 671903944 /nfs/dbraw/zinc/90/39/44/671903944.db2.gz VITOSXAPGVFWBD-NEPJUHHUSA-N 1 0 345.363 -1.178 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)o1 ZINC001070229535 671903999 /nfs/dbraw/zinc/90/39/99/671903999.db2.gz XSALNPOVBMZQFW-ZJUUUORDSA-N 1 0 334.336 -1.382 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070229699 671904514 /nfs/dbraw/zinc/90/45/14/671904514.db2.gz FKESMKZBIWARBL-LLVKDONJSA-N 1 0 326.397 -1.262 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070229700 671904301 /nfs/dbraw/zinc/90/43/01/671904301.db2.gz FKESMKZBIWARBL-NSHDSACASA-N 1 0 326.397 -1.262 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC[N@@H+]1C ZINC001070229820 671904324 /nfs/dbraw/zinc/90/43/24/671904324.db2.gz JUBOPIZOEVHXTF-RYUDHWBXSA-N 1 0 340.424 -1.016 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC[N@@H+]1C ZINC001070230010 671904946 /nfs/dbraw/zinc/90/49/46/671904946.db2.gz RMRWZCWTHZSRRA-NWDGAFQWSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC[N@@H+]1C ZINC001070230064 671904949 /nfs/dbraw/zinc/90/49/49/671904949.db2.gz UPWCYHJCRBOBJT-GHMZBOCLSA-N 1 0 326.397 -1.407 20 0 EAADRO C[N@H+](CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1)C1CCC1 ZINC001070230213 671905212 /nfs/dbraw/zinc/90/52/12/671905212.db2.gz ZYOQJSZIJQBJRD-UHFFFAOYSA-N 1 0 326.397 -1.262 20 0 EAADRO COCCn1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070230336 671905120 /nfs/dbraw/zinc/90/51/20/671905120.db2.gz HVBHPDPUHFFHCJ-KGLIPLIRSA-N 1 0 349.395 -1.231 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1 ZINC001070230390 671905109 /nfs/dbraw/zinc/90/51/09/671905109.db2.gz KPYAKGJGOKGNPH-NEPJUHHUSA-N 1 0 345.363 -1.883 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1 ZINC001070230399 671905143 /nfs/dbraw/zinc/90/51/43/671905143.db2.gz LHROBLOTXJUIRX-OLZOCXBDSA-N 1 0 332.364 -1.376 20 0 EAADRO O=C(c1cc2n(n1)CCCO2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070230451 671905407 /nfs/dbraw/zinc/90/54/07/671905407.db2.gz OHJQTXGOHFBCSJ-OLZOCXBDSA-N 1 0 347.379 -1.095 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nc1 ZINC001070230470 671905168 /nfs/dbraw/zinc/90/51/68/671905168.db2.gz OWJZXJQKFJOTQO-MNOVXSKESA-N 1 0 346.351 -1.783 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1C ZINC001070230560 671905398 /nfs/dbraw/zinc/90/53/98/671905398.db2.gz URIPGAUYSCBGDI-MNOVXSKESA-N 1 0 348.367 -1.839 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070230576 671905431 /nfs/dbraw/zinc/90/54/31/671905431.db2.gz WHSQPFYUDDHYDC-MNOVXSKESA-N 1 0 346.351 -1.783 20 0 EAADRO COc1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nn1C ZINC001070230588 671905177 /nfs/dbraw/zinc/90/51/77/671905177.db2.gz WYPVAQWOUYRKHN-NEPJUHHUSA-N 1 0 335.368 -1.332 20 0 EAADRO O=C(c1ccnc2n[nH]nc21)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070230591 671905424 /nfs/dbraw/zinc/90/54/24/671905424.db2.gz XESZPEYIXCOSSH-MNOVXSKESA-N 1 0 343.351 -1.408 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nc1 ZINC001070230599 671905242 /nfs/dbraw/zinc/90/52/42/671905242.db2.gz XUONLIFHDGNGEJ-NEPJUHHUSA-N 1 0 333.352 -1.276 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070231594 671905252 /nfs/dbraw/zinc/90/52/52/671905252.db2.gz AORXFQFLGBENBX-NEPJUHHUSA-N 1 0 333.352 -1.276 20 0 EAADRO O=C(Cc1ccc(=O)[nH]c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070233156 671905349 /nfs/dbraw/zinc/90/53/49/671905349.db2.gz BPJPITMDHBNPDT-OLZOCXBDSA-N 1 0 332.364 -1.045 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1 ZINC001070233262 671905414 /nfs/dbraw/zinc/90/54/14/671905414.db2.gz HWNRJLVSZBRDPM-NEPJUHHUSA-N 1 0 345.363 -1.552 20 0 EAADRO O=C(c1ccc2nnnn2c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070233350 671905333 /nfs/dbraw/zinc/90/53/33/671905333.db2.gz MYUYUBPNXIJEQT-NEPJUHHUSA-N 1 0 343.351 -1.637 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1n1ccnn1 ZINC001070233403 671905208 /nfs/dbraw/zinc/90/52/08/671905208.db2.gz PFQIUMJMFGCGEN-OLZOCXBDSA-N 1 0 344.379 -1.472 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n(C)n1 ZINC001070233419 671905315 /nfs/dbraw/zinc/90/53/15/671905315.db2.gz QANQJZRLXKQCQP-OLZOCXBDSA-N 1 0 346.395 -1.610 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1 ZINC001070233468 671905293 /nfs/dbraw/zinc/90/52/93/671905293.db2.gz SMZCJHICCJMUSK-NEPJUHHUSA-N 1 0 333.352 -1.274 20 0 EAADRO O=C(c1cnc2nccn2c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070233524 671905342 /nfs/dbraw/zinc/90/53/42/671905342.db2.gz VQFUNKMLXZSPBX-OLZOCXBDSA-N 1 0 342.363 -1.032 20 0 EAADRO COc1coc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cc1=O ZINC001070234783 671905795 /nfs/dbraw/zinc/90/57/95/671905795.db2.gz HPVWGOQATPKGCG-MNOVXSKESA-N 1 0 349.347 -1.113 20 0 EAADRO COc1c[nH]c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cc1=O ZINC001070234804 671905651 /nfs/dbraw/zinc/90/56/51/671905651.db2.gz IMZOYVJSIXVNCV-NEPJUHHUSA-N 1 0 348.363 -1.377 20 0 EAADRO CCOc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)on1 ZINC001070234868 671905778 /nfs/dbraw/zinc/90/57/78/671905778.db2.gz LONSMVDJHAZRQE-ZJUUUORDSA-N 1 0 349.351 -1.195 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070234959 671905704 /nfs/dbraw/zinc/90/57/04/671905704.db2.gz QMEUDXVCJOAUSC-UPJWGTAASA-N 1 0 346.395 -1.301 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070234960 671905624 /nfs/dbraw/zinc/90/56/24/671905624.db2.gz QMEUDXVCJOAUSC-XQQFMLRXSA-N 1 0 346.395 -1.301 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070235086 671905634 /nfs/dbraw/zinc/90/56/34/671905634.db2.gz YRWCXGKCERZLGX-NEPJUHHUSA-N 1 0 332.368 -1.690 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 ZINC001070236689 671905676 /nfs/dbraw/zinc/90/56/76/671905676.db2.gz DIAQKYCRFASLIW-DKBOKBLXSA-N 1 0 348.407 -1.080 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n(C)n1 ZINC001070236887 671905591 /nfs/dbraw/zinc/90/55/91/671905591.db2.gz PQNYDAPUGIPOQH-KGLIPLIRSA-N 1 0 333.396 -1.103 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)ncc1=O ZINC001070237326 671905805 /nfs/dbraw/zinc/90/58/05/671905805.db2.gz CPMUSYKKNYFCQE-KOLCDFICSA-N 1 0 346.351 -2.488 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)ncc1=O ZINC001070237361 671905864 /nfs/dbraw/zinc/90/58/64/671905864.db2.gz DYYHJUHBKVNKCT-PWSUYJOCSA-N 1 0 335.343 -1.003 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001070237484 671905674 /nfs/dbraw/zinc/90/56/74/671905674.db2.gz GKHZOKVFLKZMHT-LOWVWBTDSA-N 1 0 347.379 -1.592 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001070237485 671905646 /nfs/dbraw/zinc/90/56/46/671905646.db2.gz GKHZOKVFLKZMHT-WZRBSPASSA-N 1 0 347.379 -1.592 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)ncc1=O ZINC001070237486 671905841 /nfs/dbraw/zinc/90/58/41/671905841.db2.gz GKNQWFCYBYEBRS-PWSUYJOCSA-N 1 0 333.352 -1.981 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001070238435 671905581 /nfs/dbraw/zinc/90/55/81/671905581.db2.gz MFBUGNXQHCNVTF-CXTNEJHOSA-N 1 0 348.407 -1.080 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCOCC1 ZINC001070238679 671905740 /nfs/dbraw/zinc/90/57/40/671905740.db2.gz ALLMFURXFYBUJZ-LLVKDONJSA-N 1 0 341.412 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCOCC1 ZINC001070238680 671905803 /nfs/dbraw/zinc/90/58/03/671905803.db2.gz ALLMFURXFYBUJZ-NSHDSACASA-N 1 0 341.412 -1.599 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)CCNC(N)=O)CCOCC1 ZINC001070238708 671905751 /nfs/dbraw/zinc/90/57/51/671905751.db2.gz BVKOSJKTELIXPF-UHFFFAOYSA-N 1 0 343.428 -1.222 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCOCC1 ZINC001070238733 671905773 /nfs/dbraw/zinc/90/57/73/671905773.db2.gz CVBCBCSSKBZKPA-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO Cn1nnc(C(=O)NCC2(NC(=O)CC[NH+](C)C)CCOCC2)n1 ZINC001070238777 671905834 /nfs/dbraw/zinc/90/58/34/671905834.db2.gz FSKBLQWGSVJMGR-UHFFFAOYSA-N 1 0 339.400 -1.443 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 ZINC001070238825 671905731 /nfs/dbraw/zinc/90/57/31/671905731.db2.gz HOUUILIJVDRSBJ-UHFFFAOYSA-N 1 0 329.401 -1.612 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCOCC1 ZINC001070238849 671905825 /nfs/dbraw/zinc/90/58/25/671905825.db2.gz IFBNHUDEMJMQRI-GFCCVEGCSA-N 1 0 340.424 -1.002 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 ZINC001070238850 671905769 /nfs/dbraw/zinc/90/57/69/671905769.db2.gz IFBNHUDEMJMQRI-LBPRGKRZSA-N 1 0 340.424 -1.002 20 0 EAADRO CNC(=O)CC(=O)NCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001070238873 671905784 /nfs/dbraw/zinc/90/57/84/671905784.db2.gz JGJOTZXNPVIXHF-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)CS(C)(=O)=O)CCOCC1 ZINC001070238946 671905620 /nfs/dbraw/zinc/90/56/20/671905620.db2.gz MUJPCBZUOKAAJY-UHFFFAOYSA-N 1 0 349.453 -1.236 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070238974 671905686 /nfs/dbraw/zinc/90/56/86/671905686.db2.gz ORCYEGGLZOXVNH-NEPJUHHUSA-N 1 0 340.424 -1.159 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCOCC1 ZINC001070239008 671905764 /nfs/dbraw/zinc/90/57/64/671905764.db2.gz QBBWRZZALNSMKM-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001070239009 671905905 /nfs/dbraw/zinc/90/59/05/671905905.db2.gz QBBWRZZALNSMKM-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCOCC1 ZINC001070239023 671905692 /nfs/dbraw/zinc/90/56/92/671905692.db2.gz QYOPPVLDRWEJAV-LLVKDONJSA-N 1 0 342.396 -1.172 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCOCC1 ZINC001070239024 671905700 /nfs/dbraw/zinc/90/57/00/671905700.db2.gz QYOPPVLDRWEJAV-NSHDSACASA-N 1 0 342.396 -1.172 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001070239045 671905815 /nfs/dbraw/zinc/90/58/15/671905815.db2.gz RYHAUPGDQWVEPK-NSHDSACASA-N 1 0 343.428 -1.224 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)Cn2cnnn2)CCOCC1 ZINC001070239081 671905909 /nfs/dbraw/zinc/90/59/09/671905909.db2.gz UPXAPADDIRCUFF-UHFFFAOYSA-N 1 0 339.400 -1.594 20 0 EAADRO C[NH+](C)CCC(=O)NC1(CNC(=O)Cn2ncnn2)CCOCC1 ZINC001070239130 671905726 /nfs/dbraw/zinc/90/57/26/671905726.db2.gz WYFAOCAKGMYPIA-UHFFFAOYSA-N 1 0 339.400 -1.594 20 0 EAADRO CNC(=O)NCC(=O)NCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001070239160 671905831 /nfs/dbraw/zinc/90/58/31/671905831.db2.gz YKSCMWYVTBLZCM-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO CC(=O)NCC(=O)NCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001070239170 671905695 /nfs/dbraw/zinc/90/56/95/671905695.db2.gz YWMLOPYUKXEFAA-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001070239467 671905657 /nfs/dbraw/zinc/90/56/57/671905657.db2.gz PLYDMCVOHSZYPS-BLSKBVOTSA-N 1 0 346.391 -1.472 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1n1ccnn1 ZINC001070241349 671905744 /nfs/dbraw/zinc/90/57/44/671905744.db2.gz BUKPMASSXQONRZ-ZJUUUORDSA-N 1 0 347.335 -1.889 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070241426 671905919 /nfs/dbraw/zinc/90/59/19/671905919.db2.gz FVOQPNXGKFOTAF-NEPJUHHUSA-N 1 0 347.383 -2.041 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nn1 ZINC001070241474 671905890 /nfs/dbraw/zinc/90/58/90/671905890.db2.gz HVRBPDZRYBDUBA-OLZOCXBDSA-N 1 0 334.384 -1.534 20 0 EAADRO Cn1ccnc1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070241489 671905605 /nfs/dbraw/zinc/90/56/05/671905605.db2.gz IQRRONIOEQKZNT-OLZOCXBDSA-N 1 0 333.396 -1.022 20 0 EAADRO Cn1ccnc1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070241629 671906358 /nfs/dbraw/zinc/90/63/58/671906358.db2.gz QECIOHUPLZKGNU-NEPJUHHUSA-N 1 0 346.395 -1.529 20 0 EAADRO NC(=O)c1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)co1 ZINC001070241786 671906296 /nfs/dbraw/zinc/90/62/96/671906296.db2.gz YUFKZPOQQNGHLY-MNOVXSKESA-N 1 0 334.336 -1.382 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)nn1 ZINC001070241804 671906150 /nfs/dbraw/zinc/90/61/50/671906150.db2.gz ZNUGXRFBABJNHP-BNOWGMLFSA-N 1 0 348.411 -1.146 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)nn1 ZINC001070241805 671906480 /nfs/dbraw/zinc/90/64/80/671906480.db2.gz ZNUGXRFBABJNHP-YUTCNCBUSA-N 1 0 348.411 -1.146 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CNC(=O)C1 ZINC001070242446 671906418 /nfs/dbraw/zinc/90/64/18/671906418.db2.gz CDZONHVRDCFJSH-BFVZDQMLSA-N 1 0 335.368 -2.369 20 0 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0 334.344 -2.669 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070252738 671907220 /nfs/dbraw/zinc/90/72/20/671907220.db2.gz ABGHLQXSJFKYHU-YIZRAAEISA-N 1 0 334.344 -2.669 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070252809 671907435 /nfs/dbraw/zinc/90/74/35/671907435.db2.gz BDVXGQSZGJPDST-VWYCJHECSA-N 1 0 335.368 -2.274 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070253137 671907376 /nfs/dbraw/zinc/90/73/76/671907376.db2.gz LCTQGIOXRTUFGH-AEJSXWLSSA-N 1 0 346.355 -2.655 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070253138 671907429 /nfs/dbraw/zinc/90/74/29/671907429.db2.gz LCTQGIOXRTUFGH-BBBLOLIVSA-N 1 0 346.355 -2.655 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070254248 671907381 /nfs/dbraw/zinc/90/73/81/671907381.db2.gz FGHZAUTWNBIYNM-NEPJUHHUSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070254249 671907398 /nfs/dbraw/zinc/90/73/98/671907398.db2.gz FGHZAUTWNBIYNM-NWDGAFQWSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070254250 671907265 /nfs/dbraw/zinc/90/72/65/671907265.db2.gz FGHZAUTWNBIYNM-RYUDHWBXSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001070254251 671907421 /nfs/dbraw/zinc/90/74/21/671907421.db2.gz FGHZAUTWNBIYNM-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070254474 671907350 /nfs/dbraw/zinc/90/73/50/671907350.db2.gz LWBIRLQWQOIWIJ-GHMZBOCLSA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070254475 671907333 /nfs/dbraw/zinc/90/73/33/671907333.db2.gz LWBIRLQWQOIWIJ-MNOVXSKESA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070254476 671907285 /nfs/dbraw/zinc/90/72/85/671907285.db2.gz LWBIRLQWQOIWIJ-QWRGUYRKSA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070254477 671907450 /nfs/dbraw/zinc/90/74/50/671907450.db2.gz LWBIRLQWQOIWIJ-WDEREUQCSA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)C1 ZINC001070254544 671907478 /nfs/dbraw/zinc/90/74/78/671907478.db2.gz OLNOQZYAIBWKBQ-GFCCVEGCSA-N 1 0 340.424 -1.015 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC2(CNC(=O)CC(N)=O)CCOCC2)C1 ZINC001070254545 671907442 /nfs/dbraw/zinc/90/74/42/671907442.db2.gz OLNOQZYAIBWKBQ-LBPRGKRZSA-N 1 0 340.424 -1.015 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC2(CNC(=O)C(N)=O)CCOCC2)C1 ZINC001070254563 671907404 /nfs/dbraw/zinc/90/74/04/671907404.db2.gz PCRVJKZISXBJRL-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC2(CNC(=O)C(N)=O)CCOCC2)C1 ZINC001070254830 671907316 /nfs/dbraw/zinc/90/73/16/671907316.db2.gz YWFMWYPXHNYTGD-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC2(CNC(=O)C(N)=O)CCOCC2)C1 ZINC001070254831 671907292 /nfs/dbraw/zinc/90/72/92/671907292.db2.gz YWFMWYPXHNYTGD-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070254886 671907457 /nfs/dbraw/zinc/90/74/57/671907457.db2.gz BLFYYIPHEFYWQV-AEJSXWLSSA-N 1 0 348.371 -2.279 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070254887 671907340 /nfs/dbraw/zinc/90/73/40/671907340.db2.gz BLFYYIPHEFYWQV-BBBLOLIVSA-N 1 0 348.371 -2.279 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1n1ccnn1)C(N)=O ZINC001070254896 671907365 /nfs/dbraw/zinc/90/73/65/671907365.db2.gz BTAZJUMFBAFZDU-AJSWTNHPSA-N 1 0 348.407 -1.224 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1n1ccnn1)C(N)=O ZINC001070254897 671907211 /nfs/dbraw/zinc/90/72/11/671907211.db2.gz BTAZJUMFBAFZDU-FDFVQJQPSA-N 1 0 348.407 -1.224 20 0 EAADRO Cc1cnn(C)c1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070254976 671907410 /nfs/dbraw/zinc/90/74/10/671907410.db2.gz GVBPNCCKCKVGPT-TUAOUCFPSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1cnn(C)c1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070254977 671907496 /nfs/dbraw/zinc/90/74/96/671907496.db2.gz GVBPNCCKCKVGPT-UTUOFQBUSA-N 1 0 346.395 -1.151 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1n1ccnn1)C(N)=O ZINC001070255155 671907371 /nfs/dbraw/zinc/90/73/71/671907371.db2.gz OZVRTFPADPBERL-QKFSQAGISA-N 1 0 334.380 -1.614 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1n1ccnn1)C(N)=O ZINC001070255156 671907323 /nfs/dbraw/zinc/90/73/23/671907323.db2.gz OZVRTFPADPBERL-RQVGPUOWSA-N 1 0 334.380 -1.614 20 0 EAADRO CN1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1=O ZINC001070255170 671907488 /nfs/dbraw/zinc/90/74/88/671907488.db2.gz PXZBCMCPYRCZOJ-AXFHLTTASA-N 1 0 335.368 -2.417 20 0 EAADRO CN1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1=O ZINC001070255171 671907357 /nfs/dbraw/zinc/90/73/57/671907357.db2.gz PXZBCMCPYRCZOJ-MXWKQRLJSA-N 1 0 335.368 -2.417 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070255256 671907779 /nfs/dbraw/zinc/90/77/79/671907779.db2.gz SIGMSJREHKHXDT-APPZFPTMSA-N 1 0 337.365 -1.419 20 0 EAADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070255271 671907960 /nfs/dbraw/zinc/90/79/60/671907960.db2.gz SZFLYAPXCWKWBC-AJSWTNHPSA-N 1 0 346.391 -1.600 20 0 EAADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070255272 671907788 /nfs/dbraw/zinc/90/77/88/671907788.db2.gz SZFLYAPXCWKWBC-FDFVQJQPSA-N 1 0 346.391 -1.600 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)[C@@H](n3ccnn3)C2)n1 ZINC001070255354 671907940 /nfs/dbraw/zinc/90/79/40/671907940.db2.gz WWCBCLUDOCVSBD-TUAOUCFPSA-N 1 0 347.383 -1.507 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)[C@@H](n3ccnn3)C2)n1 ZINC001070255355 671907917 /nfs/dbraw/zinc/90/79/17/671907917.db2.gz WWCBCLUDOCVSBD-UTUOFQBUSA-N 1 0 347.383 -1.507 20 0 EAADRO Cc1cnn(C)c1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070255955 671907726 /nfs/dbraw/zinc/90/77/26/671907726.db2.gz COMDIVQBISTVBQ-MNOVXSKESA-N 1 0 332.368 -1.539 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070256958 671908009 /nfs/dbraw/zinc/90/80/09/671908009.db2.gz ZVKRPYKHLXOOAP-NEPJUHHUSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCC(=O)NC1 ZINC001070257022 671907838 /nfs/dbraw/zinc/90/78/38/671907838.db2.gz DIKGVGIFSKQWDB-TYNCELHUSA-N 1 0 336.396 -1.472 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCC(=O)NC1 ZINC001070257023 671907663 /nfs/dbraw/zinc/90/76/63/671907663.db2.gz DIKGVGIFSKQWDB-XUJVJEKNSA-N 1 0 336.396 -1.472 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070257037 671907976 /nfs/dbraw/zinc/90/79/76/671907976.db2.gz DVAKBGIKLZKMLT-MNOVXSKESA-N 1 0 333.352 -1.270 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070257070 671907671 /nfs/dbraw/zinc/90/76/71/671907671.db2.gz GPQVHVPENAALJV-ZJUUUORDSA-N 1 0 346.351 -1.777 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC(=O)NC1 ZINC001070257260 671907895 /nfs/dbraw/zinc/90/78/95/671907895.db2.gz PWLVPWVMDLEXAR-JRPNMDOOSA-N 1 0 349.395 -1.979 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC(=O)NC1 ZINC001070257261 671907696 /nfs/dbraw/zinc/90/76/96/671907696.db2.gz PWLVPWVMDLEXAR-ZETOZRRWSA-N 1 0 349.395 -1.979 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070258037 671907925 /nfs/dbraw/zinc/90/79/25/671907925.db2.gz BDVXGQSZGJPDST-MXWKQRLJSA-N 1 0 335.368 -2.274 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070258142 671907675 /nfs/dbraw/zinc/90/76/75/671907675.db2.gz GTODAUFBWRLJCY-JLLWLGSASA-N 1 0 333.352 -1.276 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070258143 671907755 /nfs/dbraw/zinc/90/77/55/671907755.db2.gz GTODAUFBWRLJCY-WCQGTBRESA-N 1 0 333.352 -1.276 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1cncnc1 ZINC001070259181 671907654 /nfs/dbraw/zinc/90/76/54/671907654.db2.gz AYVNODZAUDMCKB-RTXFEEFZSA-N 1 0 344.379 -1.301 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1cncnc1 ZINC001070259182 671907742 /nfs/dbraw/zinc/90/77/42/671907742.db2.gz AYVNODZAUDMCKB-UHTWSYAYSA-N 1 0 344.379 -1.301 20 0 EAADRO O=C(Cc1cnoc1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070259307 671907719 /nfs/dbraw/zinc/90/77/19/671907719.db2.gz IPNRSGCERGKWOW-UPJWGTAASA-N 1 0 345.363 -1.261 20 0 EAADRO O=C(Cc1cnoc1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070259308 671907932 /nfs/dbraw/zinc/90/79/32/671907932.db2.gz IPNRSGCERGKWOW-XQQFMLRXSA-N 1 0 345.363 -1.261 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001070259560 671907713 /nfs/dbraw/zinc/90/77/13/671907713.db2.gz VLSXGAUOFQYUHF-GBIKHYSHSA-N 1 0 326.332 -1.767 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001070259561 671907866 /nfs/dbraw/zinc/90/78/66/671907866.db2.gz VLSXGAUOFQYUHF-NRUUGDAUSA-N 1 0 326.332 -1.767 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070260258 671907772 /nfs/dbraw/zinc/90/77/72/671907772.db2.gz AADVYMAAJDSAGO-GDPRMGEGSA-N 1 0 346.351 -2.110 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070260259 671907859 /nfs/dbraw/zinc/90/78/59/671907859.db2.gz AADVYMAAJDSAGO-IEBDPFPHSA-N 1 0 346.351 -2.110 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1n1ccnn1 ZINC001070260319 671907704 /nfs/dbraw/zinc/90/77/04/671907704.db2.gz CTTJXHZVVAFCSQ-OLZOCXBDSA-N 1 0 347.354 -1.118 20 0 EAADRO NC(=O)Cc1occc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070260393 671908239 /nfs/dbraw/zinc/90/82/39/671908239.db2.gz HDUJHPCOSLGMBR-NEPJUHHUSA-N 1 0 348.363 -1.454 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070260412 671908272 /nfs/dbraw/zinc/90/82/72/671908272.db2.gz ICUSXVQRIVHDIQ-BNOWGMLFSA-N 1 0 349.395 -1.187 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070260413 671908449 /nfs/dbraw/zinc/90/84/49/671908449.db2.gz ICUSXVQRIVHDIQ-YUTCNCBUSA-N 1 0 349.395 -1.187 20 0 EAADRO Cn1cc(OCC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070260426 671908392 /nfs/dbraw/zinc/90/83/92/671908392.db2.gz IMQAQGRTNUVEND-NEPJUHHUSA-N 1 0 348.367 -2.083 20 0 EAADRO Cn1cc(OCC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cn1 ZINC001070260444 671908317 /nfs/dbraw/zinc/90/83/17/671908317.db2.gz JTIRGVPHCQSHOH-OLZOCXBDSA-N 1 0 335.368 -1.576 20 0 EAADRO O=C([C@@H]1CCCc2nn[nH]c21)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070260764 671908363 /nfs/dbraw/zinc/90/83/63/671908363.db2.gz PTUJRLZACBSIGH-RTXFEEFZSA-N 1 0 346.395 -1.150 20 0 EAADRO O=C([C@H]1CCCc2nn[nH]c21)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070260765 671908224 /nfs/dbraw/zinc/90/82/24/671908224.db2.gz PTUJRLZACBSIGH-UHTWSYAYSA-N 1 0 346.395 -1.150 20 0 EAADRO Cc1ncc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1C ZINC001070260812 671908323 /nfs/dbraw/zinc/90/83/23/671908323.db2.gz SSWIJYHINUXJQP-PWSUYJOCSA-N 1 0 332.368 -1.539 20 0 EAADRO Cc1ncc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1C ZINC001070261004 671908170 /nfs/dbraw/zinc/90/81/70/671908170.db2.gz YFRPVODASMPKLN-NDMJEZRESA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1ncc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1C ZINC001070261005 671908300 /nfs/dbraw/zinc/90/83/00/671908300.db2.gz YFRPVODASMPKLN-XWIASGKRSA-N 1 0 346.395 -1.151 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)cc1=O ZINC001070262609 671908838 /nfs/dbraw/zinc/90/88/38/671908838.db2.gz ASEHQGDYBRKONK-NEPJUHHUSA-N 1 0 345.363 -1.996 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070264178 671908650 /nfs/dbraw/zinc/90/86/50/671908650.db2.gz ANPRIOGEUZZGRJ-MNOVXSKESA-N 1 0 335.368 -2.273 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)[C@@H](n2ccnn2)C1 ZINC001070264203 671908618 /nfs/dbraw/zinc/90/86/18/671908618.db2.gz CBVWENZRXPQTEQ-AXFHLTTASA-N 1 0 345.367 -2.116 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)[C@@H](n2ccnn2)C1 ZINC001070264204 671908896 /nfs/dbraw/zinc/90/88/96/671908896.db2.gz CBVWENZRXPQTEQ-MXWKQRLJSA-N 1 0 345.367 -2.116 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001070264224 671908844 /nfs/dbraw/zinc/90/88/44/671908844.db2.gz CVHKILYPIHCLBW-NEPJUHHUSA-N 1 0 347.383 -1.987 20 0 EAADRO Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001070264256 671908730 /nfs/dbraw/zinc/90/87/30/671908730.db2.gz FDDVWVZQZGHGKB-OLZOCXBDSA-N 1 0 346.395 -1.382 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070264315 671909061 /nfs/dbraw/zinc/90/90/61/671909061.db2.gz HTWJIJUHVHHYTG-HZSPNIEDSA-N 1 0 344.375 -1.162 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070264335 671909323 /nfs/dbraw/zinc/90/93/23/671909323.db2.gz JBILJLVKWQMHOR-HLTSFMKQSA-N 1 0 335.324 -3.090 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070264336 671909308 /nfs/dbraw/zinc/90/93/08/671909308.db2.gz JBILJLVKWQMHOR-YIZRAAEISA-N 1 0 335.324 -3.090 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070264354 671909081 /nfs/dbraw/zinc/90/90/81/671909081.db2.gz JRVGOOPXYZXNQE-TUAOUCFPSA-N 1 0 349.395 -1.979 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070264355 671909150 /nfs/dbraw/zinc/90/91/50/671909150.db2.gz JRVGOOPXYZXNQE-UTUOFQBUSA-N 1 0 349.395 -1.979 20 0 EAADRO CN1CCC[C@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070264392 671909183 /nfs/dbraw/zinc/90/91/83/671909183.db2.gz LLHBLGSGZVJHNK-AXFHLTTASA-N 1 0 335.368 -2.274 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070264393 671909368 /nfs/dbraw/zinc/90/93/68/671909368.db2.gz LLHBLGSGZVJHNK-MXWKQRLJSA-N 1 0 335.368 -2.274 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070264415 671909266 /nfs/dbraw/zinc/90/92/66/671909266.db2.gz MLHBWMXQNAKOAI-ZJUUUORDSA-N 1 0 336.356 -2.870 20 0 EAADRO CC1(C)CO[C@H](C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070264483 671909220 /nfs/dbraw/zinc/90/92/20/671909220.db2.gz PHVDBDAAAUBBMA-TUAOUCFPSA-N 1 0 336.396 -1.080 20 0 EAADRO CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070264484 671909119 /nfs/dbraw/zinc/90/91/19/671909119.db2.gz PHVDBDAAAUBBMA-UTUOFQBUSA-N 1 0 336.396 -1.080 20 0 EAADRO CCOC1CC(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070264534 671909084 /nfs/dbraw/zinc/90/90/84/671909084.db2.gz RKFYJNWXUXTQKP-TUUUFIMRSA-N 1 0 336.396 -1.080 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070264572 671909373 /nfs/dbraw/zinc/90/93/73/671909373.db2.gz UCXATRAKZCNBCQ-MNOVXSKESA-N 1 0 335.393 -1.196 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070264617 671909748 /nfs/dbraw/zinc/90/97/48/671909748.db2.gz WMJREQKQLFYHNO-OLZOCXBDSA-N 1 0 336.396 -1.078 20 0 EAADRO CCn1cc(CC[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC001070264621 671909793 /nfs/dbraw/zinc/90/97/93/671909793.db2.gz WOZNBJNWEMEBOP-OLZOCXBDSA-N 1 0 346.395 -1.436 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)[C@@H](n2ccnn2)C1 ZINC001070264629 671909711 /nfs/dbraw/zinc/90/97/11/671909711.db2.gz XCOHPMONOJUIDB-KGLIPLIRSA-N 1 0 344.375 -1.203 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC001070264630 671909728 /nfs/dbraw/zinc/90/97/28/671909728.db2.gz XCSBZUFLNMQXFX-NEPJUHHUSA-N 1 0 332.368 -1.919 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070264674 671909786 /nfs/dbraw/zinc/90/97/86/671909786.db2.gz ZKDKWFLKFGMJRV-ZJUUUORDSA-N 1 0 349.351 -2.746 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070264680 671909659 /nfs/dbraw/zinc/90/96/59/671909659.db2.gz ZOKWJVBATWMCLW-NEPJUHHUSA-N 1 0 332.368 -1.919 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070265314 671909542 /nfs/dbraw/zinc/90/95/42/671909542.db2.gz AVZPYNHLYZTQRU-AEJSXWLSSA-N 1 0 335.368 -2.241 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070265315 671909751 /nfs/dbraw/zinc/90/97/51/671909751.db2.gz AVZPYNHLYZTQRU-BBBLOLIVSA-N 1 0 335.368 -2.241 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070265484 671909522 /nfs/dbraw/zinc/90/95/22/671909522.db2.gz JQCPMDZVFLSZMC-AXFHLTTASA-N 1 0 349.395 -1.851 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070265485 671909777 /nfs/dbraw/zinc/90/97/77/671909777.db2.gz JQCPMDZVFLSZMC-MXWKQRLJSA-N 1 0 349.395 -1.851 20 0 EAADRO COc1ncccc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070265497 671909755 /nfs/dbraw/zinc/90/97/55/671909755.db2.gz KGUPAPFPXNNBEE-NEPJUHHUSA-N 1 0 345.363 -1.178 20 0 EAADRO NC(=O)C1(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)CC1 ZINC001070265731 671909733 /nfs/dbraw/zinc/90/97/33/671909733.db2.gz VTPGECPTOSOKRC-AXFHLTTASA-N 1 0 347.379 -2.226 20 0 EAADRO NC(=O)C1(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)CC1 ZINC001070265732 671909820 /nfs/dbraw/zinc/90/98/20/671909820.db2.gz VTPGECPTOSOKRC-MXWKQRLJSA-N 1 0 347.379 -2.226 20 0 EAADRO NC(=O)C1(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)[C@@H](n3ccnn3)C2)CC1 ZINC001070265759 671909828 /nfs/dbraw/zinc/90/98/28/671909828.db2.gz XLOMPWRQWNFBCO-UPJWGTAASA-N 1 0 348.407 -1.078 20 0 EAADRO NC(=O)C1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)[C@@H](n3ccnn3)C2)CC1 ZINC001070265760 671909768 /nfs/dbraw/zinc/90/97/68/671909768.db2.gz XLOMPWRQWNFBCO-XQQFMLRXSA-N 1 0 348.407 -1.078 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001070266589 671909763 /nfs/dbraw/zinc/90/97/63/671909763.db2.gz KETZSUAAGQLZLJ-JLLWLGSASA-N 1 0 333.352 -1.603 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001070266590 671909676 /nfs/dbraw/zinc/90/96/76/671909676.db2.gz KETZSUAAGQLZLJ-WCQGTBRESA-N 1 0 333.352 -1.603 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001070266643 671909772 /nfs/dbraw/zinc/90/97/72/671909772.db2.gz MYWDNLQDRJJCFH-ZJUUUORDSA-N 1 0 332.324 -2.498 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070267647 671909800 /nfs/dbraw/zinc/90/98/00/671909800.db2.gz JXVPONAGIUCYRM-FOGDFJRCSA-N 1 0 335.368 -1.247 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070267648 671909718 /nfs/dbraw/zinc/90/97/18/671909718.db2.gz JXVPONAGIUCYRM-UMNHJUIQSA-N 1 0 335.368 -1.247 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1n1ccnn1 ZINC001070267780 671909807 /nfs/dbraw/zinc/90/98/07/671909807.db2.gz QASTUXBXMXSWNS-OLZOCXBDSA-N 1 0 334.380 -1.158 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070267802 671909738 /nfs/dbraw/zinc/90/97/38/671909738.db2.gz QTQDGFNXYCKIIG-KKZNHRDASA-N 1 0 348.367 -1.754 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070267803 671909665 /nfs/dbraw/zinc/90/96/65/671909665.db2.gz QTQDGFNXYCKIIG-NGZCFLSTSA-N 1 0 348.367 -1.754 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)[nH]c1=O ZINC001070267831 671909640 /nfs/dbraw/zinc/90/96/40/671909640.db2.gz SANDCUWVLYIJQN-SCZZXKLOSA-N 1 0 334.340 -2.142 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC(=O)N1 ZINC001070267954 671909618 /nfs/dbraw/zinc/90/96/18/671909618.db2.gz ZMQRIMGGWZGNKM-BFVZDQMLSA-N 1 0 335.368 -2.226 20 0 EAADRO CCc1nocc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070269038 671909588 /nfs/dbraw/zinc/90/95/88/671909588.db2.gz ZBAONNUUULSXRK-NEPJUHHUSA-N 1 0 333.352 -1.031 20 0 EAADRO O=C(c1n[nH]cc1F)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070269564 671909632 /nfs/dbraw/zinc/90/96/32/671909632.db2.gz OSUSWBDNJKDXGK-AXFHLTTASA-N 1 0 348.342 -1.316 20 0 EAADRO O=C(c1n[nH]cc1F)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070269565 671909563 /nfs/dbraw/zinc/90/95/63/671909563.db2.gz OSUSWBDNJKDXGK-MXWKQRLJSA-N 1 0 348.342 -1.316 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1)C(N)=O ZINC001070269777 671909572 /nfs/dbraw/zinc/90/95/72/671909572.db2.gz WEKVDIUGWYBGLQ-QNSHHTMESA-N 1 0 336.331 -1.331 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1)C(N)=O ZINC001070269778 671909744 /nfs/dbraw/zinc/90/97/44/671909744.db2.gz WEKVDIUGWYBGLQ-SFGNSQDASA-N 1 0 336.331 -1.331 20 0 EAADRO CCc1ncoc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070270355 671909813 /nfs/dbraw/zinc/90/98/13/671909813.db2.gz HCRTWWIIGIFKCE-MNOVXSKESA-N 1 0 333.352 -1.031 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070271105 671909723 /nfs/dbraw/zinc/90/97/23/671909723.db2.gz BQJMWVUNDQRLHN-TUAOUCFPSA-N 1 0 349.395 -1.836 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070271106 671909770 /nfs/dbraw/zinc/90/97/70/671909770.db2.gz BQJMWVUNDQRLHN-UTUOFQBUSA-N 1 0 349.395 -1.836 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070271324 671909796 /nfs/dbraw/zinc/90/97/96/671909796.db2.gz MEMNOSHJYBJOFB-PWSUYJOCSA-N 1 0 345.363 -1.883 20 0 EAADRO O=C([C@H]1CCCCC(=O)N1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070271755 671910051 /nfs/dbraw/zinc/91/00/51/671910051.db2.gz YNKVNBUSOZOXOP-UPJWGTAASA-N 1 0 336.396 -1.329 20 0 EAADRO O=C([C@@H]1CCCCC(=O)N1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070271756 671910223 /nfs/dbraw/zinc/91/02/23/671910223.db2.gz YNKVNBUSOZOXOP-XQQFMLRXSA-N 1 0 336.396 -1.329 20 0 EAADRO NC(=O)c1coc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1 ZINC001070272528 671910323 /nfs/dbraw/zinc/91/03/23/671910323.db2.gz QKRGFXFDTFBFND-MNOVXSKESA-N 1 0 334.336 -1.382 20 0 EAADRO Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070272543 671910101 /nfs/dbraw/zinc/91/01/01/671910101.db2.gz RKOOAKJLVRBPIH-NEPJUHHUSA-N 1 0 345.363 -1.172 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@@H]1n1ccnn1 ZINC001070272555 671910303 /nfs/dbraw/zinc/91/03/03/671910303.db2.gz SCQCRSDUIRGZKS-ZJUUUORDSA-N 1 0 347.335 -1.889 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070272572 671910384 /nfs/dbraw/zinc/91/03/84/671910384.db2.gz SYMVCXWKJYZICX-YPMHNXCESA-N 1 0 332.364 -1.376 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001070272601 671910331 /nfs/dbraw/zinc/91/03/31/671910331.db2.gz VASJRFKYJDIDBH-BFVZDQMLSA-N 1 0 335.368 -2.369 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001070272602 671910350 /nfs/dbraw/zinc/91/03/50/671910350.db2.gz VASJRFKYJDIDBH-ISTVAULSSA-N 1 0 335.368 -2.369 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)O1 ZINC001070273850 671910316 /nfs/dbraw/zinc/91/03/16/671910316.db2.gz IZOIHAKYAWOLLF-NOOOWODRSA-N 1 0 338.368 -2.355 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)O1 ZINC001070274121 671910260 /nfs/dbraw/zinc/91/02/60/671910260.db2.gz SPDPDCGNCNUABI-NOOOWODRSA-N 1 0 340.359 -1.378 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070274216 671910018 /nfs/dbraw/zinc/91/00/18/671910018.db2.gz XMMLTACQWJXHKP-UPJWGTAASA-N 1 0 335.412 -1.411 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070274217 671910341 /nfs/dbraw/zinc/91/03/41/671910341.db2.gz XMMLTACQWJXHKP-XQQFMLRXSA-N 1 0 335.412 -1.411 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070275476 671910408 /nfs/dbraw/zinc/91/04/08/671910408.db2.gz OHIGJAPGNMCLQJ-KXNHARMFSA-N 1 0 349.395 -2.171 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275563 671910124 /nfs/dbraw/zinc/91/01/24/671910124.db2.gz SNBBOQVDNCUJJH-OLZOCXBDSA-N 1 0 349.439 -1.163 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275590 671910225 /nfs/dbraw/zinc/91/02/25/671910225.db2.gz UQJSLXUPAACTHY-UPJWGTAASA-N 1 0 335.412 -1.553 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275591 671910065 /nfs/dbraw/zinc/91/00/65/671910065.db2.gz UQJSLXUPAACTHY-XQQFMLRXSA-N 1 0 335.412 -1.553 20 0 EAADRO Cn1ncc(CCC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070276400 671910200 /nfs/dbraw/zinc/91/02/00/671910200.db2.gz FECKSMUEEOLMNQ-OLZOCXBDSA-N 1 0 334.384 -1.627 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070276408 671910280 /nfs/dbraw/zinc/91/02/80/671910280.db2.gz FNYRZEIXEIXFRS-XQHKEYJVSA-N 1 0 336.396 -1.664 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070276424 671910398 /nfs/dbraw/zinc/91/03/98/671910398.db2.gz GIWSWFNSJNVMOF-XQHKEYJVSA-N 1 0 336.396 -1.487 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070276499 671910169 /nfs/dbraw/zinc/91/01/69/671910169.db2.gz JQBKIEISDQVKGP-UPJWGTAASA-N 1 0 346.395 -1.301 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070276500 671910378 /nfs/dbraw/zinc/91/03/78/671910378.db2.gz JQBKIEISDQVKGP-XQQFMLRXSA-N 1 0 346.395 -1.301 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001070276503 671910352 /nfs/dbraw/zinc/91/03/52/671910352.db2.gz JXCCAGAZXJJNST-KXNHARMFSA-N 1 0 349.395 -1.994 20 0 EAADRO Cn1ncc(CCC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070276517 671910183 /nfs/dbraw/zinc/91/01/83/671910183.db2.gz KOFJICSLGCYIOW-NEPJUHHUSA-N 1 0 347.383 -2.134 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1n1ccnn1 ZINC001070276696 671910221 /nfs/dbraw/zinc/91/02/21/671910221.db2.gz WBAGMDOTCWGMTK-BNOWGMLFSA-N 1 0 348.411 -1.238 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1n1ccnn1 ZINC001070276697 671910236 /nfs/dbraw/zinc/91/02/36/671910236.db2.gz WBAGMDOTCWGMTK-YUTCNCBUSA-N 1 0 348.411 -1.238 20 0 EAADRO Cc1nc(C)c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070276758 671910285 /nfs/dbraw/zinc/91/02/85/671910285.db2.gz YSKNJHFYQFOPTJ-MNOVXSKESA-N 1 0 332.368 -1.241 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070276980 671910176 /nfs/dbraw/zinc/91/01/76/671910176.db2.gz CDBKWENNRLTFGO-MNOVXSKESA-N 1 0 346.351 -2.154 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070276998 671910301 /nfs/dbraw/zinc/91/03/01/671910301.db2.gz CKJUBFSRRWPORO-BIMULSAOSA-N 1 0 347.379 -1.259 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070277002 671910158 /nfs/dbraw/zinc/91/01/58/671910158.db2.gz CKJUBFSRRWPORO-WQAKAFBOSA-N 1 0 347.379 -1.259 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070277134 671910255 /nfs/dbraw/zinc/91/02/55/671910255.db2.gz HBGVOBZLWYFMBP-NEPJUHHUSA-N 1 0 332.368 -1.690 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070277297 671910215 /nfs/dbraw/zinc/91/02/15/671910215.db2.gz LUMBXJFZSAEPLG-NEPJUHHUSA-N 1 0 333.352 -1.647 20 0 EAADRO O=C(c1nccn2ccnc12)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070277705 671910338 /nfs/dbraw/zinc/91/03/38/671910338.db2.gz YIAGXXIEYRMCOU-NEPJUHHUSA-N 1 0 342.363 -1.032 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001070277884 671910242 /nfs/dbraw/zinc/91/02/42/671910242.db2.gz CVOAFLOZOCBAJC-RTXFEEFZSA-N 1 0 334.384 -1.249 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001070277885 671910266 /nfs/dbraw/zinc/91/02/66/671910266.db2.gz CVOAFLOZOCBAJC-UHTWSYAYSA-N 1 0 334.384 -1.249 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070278219 671910911 /nfs/dbraw/zinc/91/09/11/671910911.db2.gz WNBGHGGFOXVDBE-JLLWLGSASA-N 1 0 347.383 -1.756 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070278220 671910958 /nfs/dbraw/zinc/91/09/58/671910958.db2.gz WNBGHGGFOXVDBE-WCQGTBRESA-N 1 0 347.383 -1.756 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC001070280042 671910790 /nfs/dbraw/zinc/91/07/90/671910790.db2.gz CFHYQWQSFRPJMP-KVSVUVNWSA-N 1 0 334.380 -1.328 20 0 EAADRO CCn1nc(C)cc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070281173 671910634 /nfs/dbraw/zinc/91/06/34/671910634.db2.gz HREVZXWAUFSSTC-YPMHNXCESA-N 1 0 346.395 -1.056 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070282165 671910795 /nfs/dbraw/zinc/91/07/95/671910795.db2.gz BKWHDRUGDCUHMB-JLLWLGSASA-N 1 0 330.352 -1.403 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070282166 671910784 /nfs/dbraw/zinc/91/07/84/671910784.db2.gz BKWHDRUGDCUHMB-WCQGTBRESA-N 1 0 330.352 -1.403 20 0 EAADRO Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c(=O)[nH]1 ZINC001070282458 671910950 /nfs/dbraw/zinc/91/09/50/671910950.db2.gz HOBZWGBEJOGOIM-NEPJUHHUSA-N 1 0 345.363 -1.172 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001070282814 671910986 /nfs/dbraw/zinc/91/09/86/671910986.db2.gz QBEWACXDZDANLJ-MNOVXSKESA-N 1 0 333.356 -2.144 20 0 EAADRO O=C(c1ccnnc1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070283051 671910609 /nfs/dbraw/zinc/91/06/09/671910609.db2.gz UAQSNHVHOXSQAJ-UPJWGTAASA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(c1ccnnc1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070283052 671910578 /nfs/dbraw/zinc/91/05/78/671910578.db2.gz UAQSNHVHOXSQAJ-XQQFMLRXSA-N 1 0 342.363 -1.388 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070283209 671910698 /nfs/dbraw/zinc/91/06/98/671910698.db2.gz BOHOEOLEQOIGDI-UPJWGTAASA-N 1 0 344.379 -1.013 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070283210 671910677 /nfs/dbraw/zinc/91/06/77/671910677.db2.gz BOHOEOLEQOIGDI-XQQFMLRXSA-N 1 0 344.379 -1.013 20 0 EAADRO O=C(Cc1cnc[nH]1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070284549 671910596 /nfs/dbraw/zinc/91/05/96/671910596.db2.gz JEZWZPGHSRONGM-UPJWGTAASA-N 1 0 344.379 -1.526 20 0 EAADRO O=C(Cc1cnc[nH]1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070284550 671910614 /nfs/dbraw/zinc/91/06/14/671910614.db2.gz JEZWZPGHSRONGM-XQQFMLRXSA-N 1 0 344.379 -1.526 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284625 671910763 /nfs/dbraw/zinc/91/07/63/671910763.db2.gz MLZGFHBYFITMHU-UPJWGTAASA-N 1 0 346.395 -1.151 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284626 671910810 /nfs/dbraw/zinc/91/08/10/671910810.db2.gz MLZGFHBYFITMHU-XQQFMLRXSA-N 1 0 346.395 -1.151 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284733 671910901 /nfs/dbraw/zinc/91/09/01/671910901.db2.gz RLHQIBBMOUSINX-JLLWLGSASA-N 1 0 332.368 -1.541 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284734 671910893 /nfs/dbraw/zinc/91/08/93/671910893.db2.gz RLHQIBBMOUSINX-WCQGTBRESA-N 1 0 332.368 -1.541 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070285568 671911004 /nfs/dbraw/zinc/91/10/04/671911004.db2.gz AOEDYQLTMQEFRM-AXFHLTTASA-N 1 0 335.368 -1.372 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1ccnc1 ZINC001070285629 671910881 /nfs/dbraw/zinc/91/08/81/671910881.db2.gz CWZWZEMHFYNGCB-UPJWGTAASA-N 1 0 346.395 -1.047 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1ccnc1 ZINC001070285630 671910870 /nfs/dbraw/zinc/91/08/70/671910870.db2.gz CWZWZEMHFYNGCB-XQQFMLRXSA-N 1 0 346.395 -1.047 20 0 EAADRO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070285664 671910938 /nfs/dbraw/zinc/91/09/38/671910938.db2.gz FEGMNOBKZNMDHW-TUAOUCFPSA-N 1 0 349.395 -1.126 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070285730 671910713 /nfs/dbraw/zinc/91/07/13/671910713.db2.gz HNONWVCBMWVSFF-TUAOUCFPSA-N 1 0 347.379 -1.372 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c(=O)c1 ZINC001070285973 671910706 /nfs/dbraw/zinc/91/07/06/671910706.db2.gz RTOYIIVAXRIBIZ-KGLIPLIRSA-N 1 0 346.391 -1.218 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070286063 671910979 /nfs/dbraw/zinc/91/09/79/671910979.db2.gz WILUGFWLCXGQRC-AEJSXWLSSA-N 1 0 337.340 -2.790 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070286066 671910623 /nfs/dbraw/zinc/91/06/23/671910623.db2.gz WLZTVMHEFPYAJS-AXFHLTTASA-N 1 0 335.368 -1.374 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070286089 671910843 /nfs/dbraw/zinc/91/08/43/671910843.db2.gz XSOUFLDGLSNVGL-AEJSXWLSSA-N 1 0 339.331 -1.813 20 0 EAADRO CC(C)(C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)S(C)(=O)=O ZINC001070286805 671910738 /nfs/dbraw/zinc/91/07/38/671910738.db2.gz AWYAOGVSNOGKLK-MNOVXSKESA-N 1 0 345.425 -1.565 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1n1ccnn1 ZINC001070286863 671910717 /nfs/dbraw/zinc/91/07/17/671910717.db2.gz DUKSWGSYENFDJQ-NEPJUHHUSA-N 1 0 347.379 -1.649 20 0 EAADRO CCc1oncc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070287134 671910887 /nfs/dbraw/zinc/91/08/87/671910887.db2.gz PPYJQUNAQUUISB-MNOVXSKESA-N 1 0 333.352 -1.031 20 0 EAADRO COc1c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c(C)nn1C ZINC001070287231 671910756 /nfs/dbraw/zinc/91/07/56/671910756.db2.gz TURIQIZWRXMOAW-NEPJUHHUSA-N 1 0 349.395 -1.024 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070287298 671910805 /nfs/dbraw/zinc/91/08/05/671910805.db2.gz WMFDOFFWNYKAOE-UPJWGTAASA-N 1 0 346.395 -1.301 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070287299 671910774 /nfs/dbraw/zinc/91/07/74/671910774.db2.gz WMFDOFFWNYKAOE-XQQFMLRXSA-N 1 0 346.395 -1.301 20 0 EAADRO O=C(COC1CCOCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070287304 671910930 /nfs/dbraw/zinc/91/09/30/671910930.db2.gz WSFPJYGOZJRQIT-KGLIPLIRSA-N 1 0 339.396 -1.193 20 0 EAADRO CCn1ccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070288211 671910589 /nfs/dbraw/zinc/91/05/89/671910589.db2.gz FXYJWYOEZRYTOZ-NEPJUHHUSA-N 1 0 332.368 -1.365 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070288550 671910941 /nfs/dbraw/zinc/91/09/41/671910941.db2.gz URPQEWOPUJVQKU-ZJUUUORDSA-N 1 0 349.351 -1.940 20 0 EAADRO COc1cncc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070289451 671910730 /nfs/dbraw/zinc/91/07/30/671910730.db2.gz CKGRLNCPWZBUPF-MNOVXSKESA-N 1 0 346.351 -1.783 20 0 EAADRO COc1cncc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070289478 671910685 /nfs/dbraw/zinc/91/06/85/671910685.db2.gz DSMMLGAUKIYNDN-NEPJUHHUSA-N 1 0 333.352 -1.276 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cscn2)C[C@@H]1n1ccnn1 ZINC001070289532 671910657 /nfs/dbraw/zinc/91/06/57/671910657.db2.gz HJBHQWOVIBJOQE-MNOVXSKESA-N 1 0 335.393 -1.196 20 0 EAADRO COCc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)no1 ZINC001070289682 671910627 /nfs/dbraw/zinc/91/06/27/671910627.db2.gz QGWKQFYZTYXDCZ-NEPJUHHUSA-N 1 0 349.351 -1.447 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c(C)n1 ZINC001070289699 671910667 /nfs/dbraw/zinc/91/06/67/671910667.db2.gz QUKMMYPVPZSSFC-OLZOCXBDSA-N 1 0 346.395 -1.056 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070289710 671910817 /nfs/dbraw/zinc/91/08/17/671910817.db2.gz RHZUZOCEPMNHKM-NEPJUHHUSA-N 1 0 332.368 -1.690 20 0 EAADRO O=C(c1cnc2cccnn21)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070289791 671910827 /nfs/dbraw/zinc/91/08/27/671910827.db2.gz VJFWRIIJKOHTFZ-YPMHNXCESA-N 1 0 342.363 -1.032 20 0 EAADRO CC(C)c1nnnn1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070290599 671910648 /nfs/dbraw/zinc/91/06/48/671910648.db2.gz GIXUFPZIMMRINN-NEPJUHHUSA-N 1 0 349.399 -1.578 20 0 EAADRO C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070291991 671911253 /nfs/dbraw/zinc/91/12/53/671911253.db2.gz FBRSILPJOSPLNM-RTXFEEFZSA-N 1 0 346.395 -1.293 20 0 EAADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070291999 671911227 /nfs/dbraw/zinc/91/12/27/671911227.db2.gz FBRSILPJOSPLNM-UHTWSYAYSA-N 1 0 346.395 -1.293 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001070292304 671911197 /nfs/dbraw/zinc/91/11/97/671911197.db2.gz LIFJMFNCMOIJQG-NEPJUHHUSA-N 1 0 332.368 -1.539 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070292318 671911489 /nfs/dbraw/zinc/91/14/89/671911489.db2.gz LUEOLOKBWHHYTA-RTXFEEFZSA-N 1 0 346.395 -1.151 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070292319 671911334 /nfs/dbraw/zinc/91/13/34/671911334.db2.gz LUEOLOKBWHHYTA-UHTWSYAYSA-N 1 0 346.395 -1.151 20 0 EAADRO Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070292616 671911455 /nfs/dbraw/zinc/91/14/55/671911455.db2.gz XVBAWSYXGYPGEB-AXFHLTTASA-N 1 0 332.368 -1.161 20 0 EAADRO Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070292617 671911207 /nfs/dbraw/zinc/91/12/07/671911207.db2.gz XVBAWSYXGYPGEB-MXWKQRLJSA-N 1 0 332.368 -1.161 20 0 EAADRO Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070293672 671911233 /nfs/dbraw/zinc/91/12/33/671911233.db2.gz ZHHVUUPMWIQQEX-TUAOUCFPSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070293673 671911217 /nfs/dbraw/zinc/91/12/17/671911217.db2.gz ZHHVUUPMWIQQEX-UTUOFQBUSA-N 1 0 344.379 -1.147 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070293988 671911274 /nfs/dbraw/zinc/91/12/74/671911274.db2.gz FRLQUGLHCZCGDY-GRYCIOLGSA-N 1 0 342.425 -1.327 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070293989 671911391 /nfs/dbraw/zinc/91/13/91/671911391.db2.gz FRLQUGLHCZCGDY-WOPDTQHZSA-N 1 0 342.425 -1.327 20 0 EAADRO O=C(c1ccc2nncn2c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070294057 671911224 /nfs/dbraw/zinc/91/12/24/671911224.db2.gz JLIWRPJBTKTLBE-OLZOCXBDSA-N 1 0 342.363 -1.032 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070294078 671911215 /nfs/dbraw/zinc/91/12/15/671911215.db2.gz KBLNGRKMMOMCPY-JLLWLGSASA-N 1 0 347.383 -1.674 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070294079 671911326 /nfs/dbraw/zinc/91/13/26/671911326.db2.gz KBLNGRKMMOMCPY-WCQGTBRESA-N 1 0 347.383 -1.674 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070294219 671911381 /nfs/dbraw/zinc/91/13/81/671911381.db2.gz MSIKPQFHDPMGPN-AXFHLTTASA-N 1 0 335.368 -2.226 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070294220 671911409 /nfs/dbraw/zinc/91/14/09/671911409.db2.gz MSIKPQFHDPMGPN-MXWKQRLJSA-N 1 0 335.368 -2.226 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070294490 671911484 /nfs/dbraw/zinc/91/14/84/671911484.db2.gz WIFAPQZSYNQLAI-GDPRMGEGSA-N 1 0 333.356 -2.064 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070294491 671911185 /nfs/dbraw/zinc/91/11/85/671911185.db2.gz WIFAPQZSYNQLAI-IEBDPFPHSA-N 1 0 333.356 -2.064 20 0 EAADRO O=C(CCN1CCOCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070294974 671911443 /nfs/dbraw/zinc/91/14/43/671911443.db2.gz FJDNTUMXSIHGBX-KGLIPLIRSA-N 1 0 338.412 -1.666 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070294981 671911212 /nfs/dbraw/zinc/91/12/12/671911212.db2.gz FSZUDNOSPFWCSZ-MNOVXSKESA-N 1 0 338.343 -1.358 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070294987 671911191 /nfs/dbraw/zinc/91/11/91/671911191.db2.gz GADBZNHQLARMOK-ZJUUUORDSA-N 1 0 349.351 -2.842 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070295063 671911419 /nfs/dbraw/zinc/91/14/19/671911419.db2.gz KBNXLPVNBBIXQU-JLLWLGSASA-N 1 0 345.367 -2.050 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070295064 671911348 /nfs/dbraw/zinc/91/13/48/671911348.db2.gz KBNXLPVNBBIXQU-WCQGTBRESA-N 1 0 345.367 -2.050 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nc(C)n1 ZINC001070295133 671911260 /nfs/dbraw/zinc/91/12/60/671911260.db2.gz NSUZBBNWHXTUFZ-OLZOCXBDSA-N 1 0 344.379 -1.174 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@@H]1n1ccnn1 ZINC001070295156 671911247 /nfs/dbraw/zinc/91/12/47/671911247.db2.gz ONHQMINDWUMDFV-WWALYXLFSA-N 1 0 347.379 -1.372 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070295255 671911358 /nfs/dbraw/zinc/91/13/58/671911358.db2.gz VNYUWCIXGBGHGJ-MNOVXSKESA-N 1 0 336.352 -2.335 20 0 EAADRO CCn1nc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)ccc1=O ZINC001070296245 671911242 /nfs/dbraw/zinc/91/12/42/671911242.db2.gz CEGHGJSAULMWHR-OLZOCXBDSA-N 1 0 347.379 -1.498 20 0 EAADRO Cc1n[nH]c(C)c1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070296323 671911275 /nfs/dbraw/zinc/91/12/75/671911275.db2.gz HSCXCMOKGRZAFB-MNOVXSKESA-N 1 0 332.368 -1.241 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1n1ccnn1 ZINC001070296324 671911428 /nfs/dbraw/zinc/91/14/28/671911428.db2.gz HTFZUGRGSQJULM-NEPJUHHUSA-N 1 0 347.379 -1.420 20 0 EAADRO CC1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCOCC1 ZINC001070296446 671911318 /nfs/dbraw/zinc/91/13/18/671911318.db2.gz NPZTUESWMSUMIO-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO Cc1ncc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c(C)n1 ZINC001070296507 671911398 /nfs/dbraw/zinc/91/13/98/671911398.db2.gz QBVXYZYFVRIGSO-OLZOCXBDSA-N 1 0 344.379 -1.174 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070296570 671911249 /nfs/dbraw/zinc/91/12/49/671911249.db2.gz SZZQAORIKFYLQM-OLZOCXBDSA-N 1 0 345.363 -1.421 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 ZINC001070297513 671911267 /nfs/dbraw/zinc/91/12/67/671911267.db2.gz ADAGURWIVITRCM-NEPJUHHUSA-N 1 0 342.367 -1.015 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070297521 671911332 /nfs/dbraw/zinc/91/13/32/671911332.db2.gz ASNCWDIYWKENHT-NEPJUHHUSA-N 1 0 347.379 -1.419 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 ZINC001070297556 671911365 /nfs/dbraw/zinc/91/13/65/671911365.db2.gz CZZITUCQIWBEML-NEPJUHHUSA-N 1 0 342.367 -1.015 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070297576 671911210 /nfs/dbraw/zinc/91/12/10/671911210.db2.gz FMAYBIVOOGXVCL-JLLWLGSASA-N 1 0 330.352 -1.403 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070297577 671911264 /nfs/dbraw/zinc/91/12/64/671911264.db2.gz FMAYBIVOOGXVCL-WCQGTBRESA-N 1 0 330.352 -1.403 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070297607 671911304 /nfs/dbraw/zinc/91/13/04/671911304.db2.gz HAXJNWPJKCATPL-NEPJUHHUSA-N 1 0 342.367 -1.052 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2n2ccnn2)cn1 ZINC001070297610 671911375 /nfs/dbraw/zinc/91/13/75/671911375.db2.gz HFFZUXMFYMRUJI-NEPJUHHUSA-N 1 0 342.367 -1.015 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070297633 671911245 /nfs/dbraw/zinc/91/12/45/671911245.db2.gz IDMDUUQAGCCAJX-AXFHLTTASA-N 1 0 345.367 -1.670 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070297634 671911329 /nfs/dbraw/zinc/91/13/29/671911329.db2.gz IDMDUUQAGCCAJX-MXWKQRLJSA-N 1 0 345.367 -1.670 20 0 EAADRO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070297684 671911204 /nfs/dbraw/zinc/91/12/04/671911204.db2.gz LDURBGQDRWFMRQ-NEPJUHHUSA-N 1 0 349.395 -1.173 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070297732 671911886 /nfs/dbraw/zinc/91/18/86/671911886.db2.gz OYCIECJFPYTZMY-ZJUUUORDSA-N 1 0 339.331 -1.859 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070297757 671912054 /nfs/dbraw/zinc/91/20/54/671912054.db2.gz QBCGHWPAUMTNAN-MNOVXSKESA-N 1 0 335.368 -1.419 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070297767 671911979 /nfs/dbraw/zinc/91/19/79/671911979.db2.gz QTYBPVKCAKTRME-ZJUUUORDSA-N 1 0 337.340 -2.836 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070297774 671912039 /nfs/dbraw/zinc/91/20/39/671912039.db2.gz QYVJYVUYHIHILP-AEJSXWLSSA-N 1 0 331.340 -2.060 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070297775 671911899 /nfs/dbraw/zinc/91/18/99/671911899.db2.gz QYVJYVUYHIHILP-BBBLOLIVSA-N 1 0 331.340 -2.060 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070297785 671912014 /nfs/dbraw/zinc/91/20/14/671912014.db2.gz RMNGNYCSICGCLR-RTXFEEFZSA-N 1 0 344.379 -1.013 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070297786 671911803 /nfs/dbraw/zinc/91/18/03/671911803.db2.gz RMNGNYCSICGCLR-UHTWSYAYSA-N 1 0 344.379 -1.013 20 0 EAADRO O=C(c1nc2ncccn2n1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070297816 671911851 /nfs/dbraw/zinc/91/18/51/671911851.db2.gz TUBOMBFDSOPZEC-MNOVXSKESA-N 1 0 343.351 -1.637 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070297823 671911751 /nfs/dbraw/zinc/91/17/51/671911751.db2.gz UZTCFWDVQZAUBA-MNOVXSKESA-N 1 0 335.368 -1.420 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070297834 671912047 /nfs/dbraw/zinc/91/20/47/671912047.db2.gz VPUQZCFRCIDUJR-MNOVXSKESA-N 1 0 345.367 -1.716 20 0 EAADRO O=C(c1ncccn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299108 671911892 /nfs/dbraw/zinc/91/18/92/671911892.db2.gz HOZBJBDUGZQIBF-TUAOUCFPSA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(c1ncccn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299109 671911796 /nfs/dbraw/zinc/91/17/96/671911796.db2.gz HOZBJBDUGZQIBF-UTUOFQBUSA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070299113 671911832 /nfs/dbraw/zinc/91/18/32/671911832.db2.gz HWNYVKJGFAGOHO-MNOVXSKESA-N 1 0 343.355 -1.657 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299174 671911767 /nfs/dbraw/zinc/91/17/67/671911767.db2.gz KXQUYODRXLHWBI-AEJSXWLSSA-N 1 0 333.356 -1.685 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299175 671911838 /nfs/dbraw/zinc/91/18/38/671911838.db2.gz KXQUYODRXLHWBI-BBBLOLIVSA-N 1 0 333.356 -1.685 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1)N1CCC1 ZINC001070299221 671912011 /nfs/dbraw/zinc/91/20/11/671912011.db2.gz NLWGYXXRVCNEEB-NEPJUHHUSA-N 1 0 346.351 -1.451 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2n2ccnn2)C1=O ZINC001070299238 671912005 /nfs/dbraw/zinc/91/20/05/671912005.db2.gz OLLNFIMETVYXNF-AXFHLTTASA-N 1 0 345.367 -1.718 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2n2ccnn2)C1=O ZINC001070299239 671911820 /nfs/dbraw/zinc/91/18/20/671911820.db2.gz OLLNFIMETVYXNF-MXWKQRLJSA-N 1 0 345.367 -1.718 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299286 671912020 /nfs/dbraw/zinc/91/20/20/671912020.db2.gz RFFWZKPCHAZRGO-AXFHLTTASA-N 1 0 330.352 -1.403 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299287 671911758 /nfs/dbraw/zinc/91/17/58/671911758.db2.gz RFFWZKPCHAZRGO-MXWKQRLJSA-N 1 0 330.352 -1.403 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299291 671912031 /nfs/dbraw/zinc/91/20/31/671912031.db2.gz RLJYHYYRTUYCLG-TUAOUCFPSA-N 1 0 344.379 -1.013 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299292 671911813 /nfs/dbraw/zinc/91/18/13/671911813.db2.gz RLJYHYYRTUYCLG-UTUOFQBUSA-N 1 0 344.379 -1.013 20 0 EAADRO O=C(c1cnon1)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070299742 671911845 /nfs/dbraw/zinc/91/18/45/671911845.db2.gz BIDQZKMXCCSPLP-NEPJUHHUSA-N 1 0 344.339 -1.392 20 0 EAADRO O=C(c1cccnn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299744 671911946 /nfs/dbraw/zinc/91/19/46/671911946.db2.gz BIZQLCMIGXCSNJ-RTXFEEFZSA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(c1cccnn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299745 671911908 /nfs/dbraw/zinc/91/19/08/671911908.db2.gz BIZQLCMIGXCSNJ-UHTWSYAYSA-N 1 0 342.363 -1.388 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299792 671911753 /nfs/dbraw/zinc/91/17/53/671911753.db2.gz FHRDBWDHCBESBO-RTXFEEFZSA-N 1 0 344.379 -1.013 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299793 671911868 /nfs/dbraw/zinc/91/18/68/671911868.db2.gz FHRDBWDHCBESBO-UHTWSYAYSA-N 1 0 344.379 -1.013 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299818 671911763 /nfs/dbraw/zinc/91/17/63/671911763.db2.gz HGPFXIVASRWOCU-GDPRMGEGSA-N 1 0 334.340 -1.420 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070299819 671911995 /nfs/dbraw/zinc/91/19/95/671911995.db2.gz HGPFXIVASRWOCU-IEBDPFPHSA-N 1 0 334.340 -1.420 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnon3)C[C@@H]2n2ccnn2)C1=O ZINC001070299890 671911953 /nfs/dbraw/zinc/91/19/53/671911953.db2.gz KGRLKZQBBSLLKP-JLLWLGSASA-N 1 0 346.351 -1.453 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnon3)C[C@@H]2n2ccnn2)C1=O ZINC001070299891 671911916 /nfs/dbraw/zinc/91/19/16/671911916.db2.gz KGRLKZQBBSLLKP-WCQGTBRESA-N 1 0 346.351 -1.453 20 0 EAADRO O=C(c1cnon1)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299908 671911785 /nfs/dbraw/zinc/91/17/85/671911785.db2.gz KPMMUZJTQKFBKC-JLLWLGSASA-N 1 0 346.351 -1.405 20 0 EAADRO O=C(c1cnon1)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299909 671911849 /nfs/dbraw/zinc/91/18/49/671911849.db2.gz KPMMUZJTQKFBKC-WCQGTBRESA-N 1 0 346.351 -1.405 20 0 EAADRO O=C(c1cnon1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299944 671911873 /nfs/dbraw/zinc/91/18/73/671911873.db2.gz MBSUXILIFWYDPB-GDPRMGEGSA-N 1 0 332.324 -1.795 20 0 EAADRO O=C(c1cnon1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070299945 671911756 /nfs/dbraw/zinc/91/17/56/671911756.db2.gz MBSUXILIFWYDPB-IEBDPFPHSA-N 1 0 332.324 -1.795 20 0 EAADRO O=C(c1cc2ncccn2n1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070300053 671911924 /nfs/dbraw/zinc/91/19/24/671911924.db2.gz RLEWEUWRORDEEN-OLZOCXBDSA-N 1 0 342.363 -1.032 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070300106 671911761 /nfs/dbraw/zinc/91/17/61/671911761.db2.gz UPEVOPQNUJEOHE-JLLWLGSASA-N 1 0 330.352 -1.403 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070300107 671912024 /nfs/dbraw/zinc/91/20/24/671912024.db2.gz UPEVOPQNUJEOHE-WCQGTBRESA-N 1 0 330.352 -1.403 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070300971 671912484 /nfs/dbraw/zinc/91/24/84/671912484.db2.gz CHYMYNXGRFWALX-AXFHLTTASA-N 1 0 348.371 -2.430 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070300972 671912422 /nfs/dbraw/zinc/91/24/22/671912422.db2.gz CHYMYNXGRFWALX-MXWKQRLJSA-N 1 0 348.371 -2.430 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1n1ccnn1 ZINC001070301158 671912294 /nfs/dbraw/zinc/91/22/94/671912294.db2.gz NJOVPJDLSBSTFY-TUAOUCFPSA-N 1 0 335.372 -1.923 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1n1ccnn1 ZINC001070301159 671912394 /nfs/dbraw/zinc/91/23/94/671912394.db2.gz NJOVPJDLSBSTFY-UTUOFQBUSA-N 1 0 335.372 -1.923 20 0 EAADRO CC1CC[NH+](CC(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001070301171 671912569 /nfs/dbraw/zinc/91/25/69/671912569.db2.gz NVCHUNYKZLMHBE-KGLIPLIRSA-N 1 0 349.439 -1.163 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1C ZINC001070301275 671912282 /nfs/dbraw/zinc/91/22/82/671912282.db2.gz UQTQDGLFOJUEJN-OLZOCXBDSA-N 1 0 346.395 -1.056 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1n1ccnn1 ZINC001070301341 671912479 /nfs/dbraw/zinc/91/24/79/671912479.db2.gz XNOIARKLWALCGZ-ZJUUUORDSA-N 1 0 334.344 -2.818 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1n1ccnn1 ZINC001070302409 671912398 /nfs/dbraw/zinc/91/23/98/671912398.db2.gz QGGXZTRYRMSIDV-NEPJUHHUSA-N 1 0 344.379 -1.472 20 0 EAADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n(C)n1 ZINC001070302448 671912476 /nfs/dbraw/zinc/91/24/76/671912476.db2.gz SDERDKUYTYMBES-YPMHNXCESA-N 1 0 346.395 -1.285 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncccc2F)C[C@@H]1n1ccnn1 ZINC001070302512 671912273 /nfs/dbraw/zinc/91/22/73/671912273.db2.gz WNIJZPBRROBZER-MNOVXSKESA-N 1 0 333.327 -1.047 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cccc2)C[C@@H]1n1ccnn1 ZINC001070302521 671912537 /nfs/dbraw/zinc/91/25/37/671912537.db2.gz WYXJKSBNXRGTMB-OLZOCXBDSA-N 1 0 331.380 -1.003 20 0 EAADRO O=C(c1ccncn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070302561 671912254 /nfs/dbraw/zinc/91/22/54/671912254.db2.gz ZHWTXJRUQHDLAV-RTXFEEFZSA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(c1ccncn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070302562 671912519 /nfs/dbraw/zinc/91/25/19/671912519.db2.gz ZHWTXJRUQHDLAV-UHTWSYAYSA-N 1 0 342.363 -1.388 20 0 EAADRO O=C(Cc1ncc[nH]1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070302582 671912461 /nfs/dbraw/zinc/91/24/61/671912461.db2.gz AERAFCZHLITBBM-TUAOUCFPSA-N 1 0 344.379 -1.526 20 0 EAADRO O=C(Cc1ncc[nH]1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070302583 671912469 /nfs/dbraw/zinc/91/24/69/671912469.db2.gz AERAFCZHLITBBM-UTUOFQBUSA-N 1 0 344.379 -1.526 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1 ZINC001070302644 671912443 /nfs/dbraw/zinc/91/24/43/671912443.db2.gz COOIWJZDPFMYGP-NEPJUHHUSA-N 1 0 333.352 -1.647 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1n1ccnn1 ZINC001070302797 671912431 /nfs/dbraw/zinc/91/24/31/671912431.db2.gz GBUFGOQPXKLLPS-MNOVXSKESA-N 1 0 346.351 -2.154 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070303024 671912375 /nfs/dbraw/zinc/91/23/75/671912375.db2.gz MZSKHEWLDYYFMW-AXFHLTTASA-N 1 0 332.368 -1.541 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070303025 671912300 /nfs/dbraw/zinc/91/23/00/671912300.db2.gz MZSKHEWLDYYFMW-MXWKQRLJSA-N 1 0 332.368 -1.541 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1n1ccnn1 ZINC001070303079 671912383 /nfs/dbraw/zinc/91/23/83/671912383.db2.gz PAXSJFWSEJBTQC-BIMULSAOSA-N 1 0 347.379 -1.259 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1n1ccnn1 ZINC001070303180 671912320 /nfs/dbraw/zinc/91/23/20/671912320.db2.gz PAXSJFWSEJBTQC-WQAKAFBOSA-N 1 0 347.379 -1.259 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070303224 671912585 /nfs/dbraw/zinc/91/25/85/671912585.db2.gz REWITSNHDVKLTI-TUAOUCFPSA-N 1 0 346.395 -1.151 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070303225 671912511 /nfs/dbraw/zinc/91/25/11/671912511.db2.gz REWITSNHDVKLTI-UTUOFQBUSA-N 1 0 346.395 -1.151 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)nn1 ZINC001070303933 671912489 /nfs/dbraw/zinc/91/24/89/671912489.db2.gz AWSRMVYMYCOPKT-LOWVWBTDSA-N 1 0 334.384 -1.074 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)nn1 ZINC001070303934 671912311 /nfs/dbraw/zinc/91/23/11/671912311.db2.gz AWSRMVYMYCOPKT-WZRBSPASSA-N 1 0 334.384 -1.074 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070303956 671912528 /nfs/dbraw/zinc/91/25/28/671912528.db2.gz CGHBOGHUHZWICQ-FOGDFJRCSA-N 1 0 347.383 -1.581 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070303957 671912359 /nfs/dbraw/zinc/91/23/59/671912359.db2.gz CGHBOGHUHZWICQ-UMNHJUIQSA-N 1 0 347.383 -1.581 20 0 EAADRO COCc1nc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)co1 ZINC001070303971 671912500 /nfs/dbraw/zinc/91/25/00/671912500.db2.gz CVUWJQSBYJRZFK-KOLCDFICSA-N 1 0 349.351 -1.447 20 0 EAADRO CCCn1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nn1 ZINC001070303992 671912471 /nfs/dbraw/zinc/91/24/71/671912471.db2.gz FEVZUJORROBYFN-YPMHNXCESA-N 1 0 334.384 -1.073 20 0 EAADRO CC(C)n1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070304025 671912367 /nfs/dbraw/zinc/91/23/67/671912367.db2.gz GYLCDFYEMSXBAA-PWSUYJOCSA-N 1 0 347.383 -1.409 20 0 EAADRO O=C(c1cn(CC2CC2)nn1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070304148 671912562 /nfs/dbraw/zinc/91/25/62/671912562.db2.gz MYYAFENANDTNQK-OCCSQVGLSA-N 1 0 346.395 -1.073 20 0 EAADRO O=C(CCn1cnccc1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070304337 671912349 /nfs/dbraw/zinc/91/23/49/671912349.db2.gz WSZROSWUDSCGIY-OLZOCXBDSA-N 1 0 347.379 -1.741 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070304365 671912548 /nfs/dbraw/zinc/91/25/48/671912548.db2.gz YODJAUNATREYEI-KOLCDFICSA-N 1 0 333.356 -1.970 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCCOC1 ZINC001070304374 671912580 /nfs/dbraw/zinc/91/25/80/671912580.db2.gz ZNAOMBUFARVPSZ-TYNCELHUSA-N 1 0 336.396 -1.078 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCCOC1 ZINC001070304375 671912340 /nfs/dbraw/zinc/91/23/40/671912340.db2.gz ZNAOMBUFARVPSZ-XUJVJEKNSA-N 1 0 336.396 -1.078 20 0 EAADRO CCCn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070304378 671912211 /nfs/dbraw/zinc/91/22/11/671912211.db2.gz ZPMCPSAJPWFOJQ-PWSUYJOCSA-N 1 0 347.383 -1.580 20 0 EAADRO COc1cccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070305258 671912406 /nfs/dbraw/zinc/91/24/06/671912406.db2.gz MQIHXNBXPWAUPD-NEPJUHHUSA-N 1 0 345.363 -1.178 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070306466 671912494 /nfs/dbraw/zinc/91/24/94/671912494.db2.gz CKVWBTUPCOLRIN-MNOVXSKESA-N 1 0 346.351 -1.783 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cn1 ZINC001070306715 671912328 /nfs/dbraw/zinc/91/23/28/671912328.db2.gz SAHOIYQHOMHAES-NEPJUHHUSA-N 1 0 333.352 -1.276 20 0 EAADRO Cc1cc(=O)c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070306787 671912523 /nfs/dbraw/zinc/91/25/23/671912523.db2.gz XBBUICQHSUDLPC-NEPJUHHUSA-N 1 0 345.363 -1.585 20 0 EAADRO Cc1cc(=O)c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070306835 671912575 /nfs/dbraw/zinc/91/25/75/671912575.db2.gz ZYQNFYRHJVQRTE-OLZOCXBDSA-N 1 0 332.364 -1.078 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070306952 671912245 /nfs/dbraw/zinc/91/22/45/671912245.db2.gz IKVAYKHOZXKHFV-MNOVXSKESA-N 1 0 334.340 -1.961 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070307013 671912387 /nfs/dbraw/zinc/91/23/87/671912387.db2.gz LXLDKELWTOBHLM-JLLWLGSASA-N 1 0 348.367 -1.572 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070307014 671912589 /nfs/dbraw/zinc/91/25/89/671912589.db2.gz LXLDKELWTOBHLM-WCQGTBRESA-N 1 0 348.367 -1.572 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1n1ccnn1 ZINC001070307015 671912481 /nfs/dbraw/zinc/91/24/81/671912481.db2.gz LZQCRELUNPHIRJ-MNOVXSKESA-N 1 0 349.395 -1.030 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070307093 671912233 /nfs/dbraw/zinc/91/22/33/671912233.db2.gz QNKQDWQKOUACQL-MNOVXSKESA-N 1 0 346.351 -1.783 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1n1ccnn1 ZINC001070307144 671912554 /nfs/dbraw/zinc/91/25/54/671912554.db2.gz UOUJTSAKSAZRCI-OLZOCXBDSA-N 1 0 344.379 -1.472 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070307149 671912507 /nfs/dbraw/zinc/91/25/07/671912507.db2.gz UZSKHWTWKJTIBN-BIMULSAOSA-N 1 0 335.368 -1.065 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070307150 671912844 /nfs/dbraw/zinc/91/28/44/671912844.db2.gz UZSKHWTWKJTIBN-WQAKAFBOSA-N 1 0 335.368 -1.065 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070308109 671913099 /nfs/dbraw/zinc/91/30/99/671913099.db2.gz BMHMYZMHISJTIJ-NEPJUHHUSA-N 1 0 349.395 -1.030 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070308216 671912795 /nfs/dbraw/zinc/91/27/95/671912795.db2.gz IBBVFOZTNPKCKY-MNOVXSKESA-N 1 0 335.368 -1.419 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070308225 671913143 /nfs/dbraw/zinc/91/31/43/671913143.db2.gz IGZKFQTTYKKXSY-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070308943 671912790 /nfs/dbraw/zinc/91/27/90/671912790.db2.gz NPRXZDSLRNEBMS-UPJWGTAASA-N 1 0 336.396 -1.520 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070308944 671912995 /nfs/dbraw/zinc/91/29/95/671912995.db2.gz NPRXZDSLRNEBMS-XQQFMLRXSA-N 1 0 336.396 -1.520 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070309076 671912885 /nfs/dbraw/zinc/91/28/85/671912885.db2.gz QLGOGZZZWUWWOU-AXFHLTTASA-N 1 0 347.383 -1.756 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070309078 671913151 /nfs/dbraw/zinc/91/31/51/671913151.db2.gz QLGOGZZZWUWWOU-MXWKQRLJSA-N 1 0 347.383 -1.756 20 0 EAADRO COc1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nn1 ZINC001070309111 671912919 /nfs/dbraw/zinc/91/29/19/671912919.db2.gz RCXPEPSCCXSKNT-NEPJUHHUSA-N 1 0 333.352 -1.276 20 0 EAADRO O=C(Cc1nnc[nH]1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070309128 671912809 /nfs/dbraw/zinc/91/28/09/671912809.db2.gz RRAZXKWOXORWNA-AXFHLTTASA-N 1 0 345.367 -2.131 20 0 EAADRO O=C(Cc1nnc[nH]1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070309130 671912850 /nfs/dbraw/zinc/91/28/50/671912850.db2.gz RRAZXKWOXORWNA-MXWKQRLJSA-N 1 0 345.367 -2.131 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070309146 671912977 /nfs/dbraw/zinc/91/29/77/671912977.db2.gz SDLSKZWIXCYSKG-AEJSXWLSSA-N 1 0 333.356 -2.146 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070309148 671912959 /nfs/dbraw/zinc/91/29/59/671912959.db2.gz SDLSKZWIXCYSKG-BBBLOLIVSA-N 1 0 333.356 -2.146 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cccn1 ZINC001070309239 671912769 /nfs/dbraw/zinc/91/27/69/671912769.db2.gz XYKVOUVNXSENBK-UPJWGTAASA-N 1 0 346.395 -1.047 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cccn1 ZINC001070309240 671913092 /nfs/dbraw/zinc/91/30/92/671913092.db2.gz XYKVOUVNXSENBK-XQQFMLRXSA-N 1 0 346.395 -1.047 20 0 EAADRO COCc1nocc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070309831 671913038 /nfs/dbraw/zinc/91/30/38/671913038.db2.gz FHNVUAHOCVAQNB-PWSUYJOCSA-N 1 0 349.351 -1.447 20 0 EAADRO O=C([C@H]1CCc2n[nH]nc2C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070310311 671912829 /nfs/dbraw/zinc/91/28/29/671912829.db2.gz VBJBJJSCWIYDEP-GDLCADMTSA-N 1 0 346.395 -1.465 20 0 EAADRO O=C([C@@H]1CCc2n[nH]nc2C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070310312 671912928 /nfs/dbraw/zinc/91/29/28/671912928.db2.gz VBJBJJSCWIYDEP-HONMWMINSA-N 1 0 346.395 -1.465 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070310895 671912898 /nfs/dbraw/zinc/91/28/98/671912898.db2.gz AOAOMISKEAVIMB-NEPJUHHUSA-N 1 0 349.395 -1.078 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070310965 671913111 /nfs/dbraw/zinc/91/31/11/671913111.db2.gz GKHDRVLMTURTJY-NEPJUHHUSA-N 1 0 332.368 -1.919 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070310977 671913169 /nfs/dbraw/zinc/91/31/69/671913169.db2.gz HHJRFOBODRKNLU-MNOVXSKESA-N 1 0 335.368 -1.467 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1n1ccnn1 ZINC001070311027 671913071 /nfs/dbraw/zinc/91/30/71/671913071.db2.gz JYPBNFUPYDLTOH-MNOVXSKESA-N 1 0 343.351 -1.316 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1 ZINC001070311150 671913083 /nfs/dbraw/zinc/91/30/83/671913083.db2.gz PLIUZEBOELJDJB-BNOWGMLFSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1 ZINC001070311151 671912780 /nfs/dbraw/zinc/91/27/80/671912780.db2.gz PLIUZEBOELJDJB-YUTCNCBUSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070311155 671912799 /nfs/dbraw/zinc/91/27/99/671912799.db2.gz PQZXFIPHGIHVHY-RTXFEEFZSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070311156 671912872 /nfs/dbraw/zinc/91/28/72/671912872.db2.gz PQZXFIPHGIHVHY-UHTWSYAYSA-N 1 0 346.395 -1.530 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070311179 671913101 /nfs/dbraw/zinc/91/31/01/671913101.db2.gz QSGKYRKOPXARSL-NEPJUHHUSA-N 1 0 349.395 -1.076 20 0 EAADRO CC(C)(C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1cnc[nH]1 ZINC001070311306 671913126 /nfs/dbraw/zinc/91/31/26/671913126.db2.gz WVEUNMVCXGQZEG-MNOVXSKESA-N 1 0 346.395 -1.194 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070311369 671913147 /nfs/dbraw/zinc/91/31/47/671913147.db2.gz ZJBXXHKSDOGNQH-OLZOCXBDSA-N 1 0 346.395 -1.436 20 0 EAADRO CCn1cnc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1 ZINC001070312259 671912784 /nfs/dbraw/zinc/91/27/84/671912784.db2.gz HLEWTHVLKNOKOD-PWSUYJOCSA-N 1 0 332.368 -1.365 20 0 EAADRO CN(C)c1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nn1 ZINC001070312290 671913076 /nfs/dbraw/zinc/91/30/76/671913076.db2.gz JJJZJXXPBCNQMM-OLZOCXBDSA-N 1 0 346.395 -1.218 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070313231 671913177 /nfs/dbraw/zinc/91/31/77/671913177.db2.gz ABTRXTDNFOIYLY-RDBSUJKOSA-N 1 0 336.396 -1.377 20 0 EAADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)no1 ZINC001070313257 671913157 /nfs/dbraw/zinc/91/31/57/671913157.db2.gz BYHHMFYBGWWHFE-NEPJUHHUSA-N 1 0 333.352 -1.031 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1=O ZINC001070313599 671912906 /nfs/dbraw/zinc/91/29/06/671912906.db2.gz YJUGAAQGAQGPKC-NEPJUHHUSA-N 1 0 345.363 -1.883 20 0 EAADRO Cn1cccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1=O ZINC001070313601 671913106 /nfs/dbraw/zinc/91/31/06/671913106.db2.gz YNBSWPKBHBVWPW-OLZOCXBDSA-N 1 0 332.364 -1.376 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070313625 671913160 /nfs/dbraw/zinc/91/31/60/671913160.db2.gz ZWULSDKELSJGAF-AGIUHOORSA-N 1 0 349.395 -1.884 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070314509 671913673 /nfs/dbraw/zinc/91/36/73/671913673.db2.gz PTVFGIQLSIPQMU-OLZOCXBDSA-N 1 0 347.379 -1.823 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1n1ccnn1 ZINC001070316015 671913524 /nfs/dbraw/zinc/91/35/24/671913524.db2.gz CKMWICBZFUIAAN-MNOVXSKESA-N 1 0 343.351 -1.606 20 0 EAADRO COc1cccnc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070316417 671913476 /nfs/dbraw/zinc/91/34/76/671913476.db2.gz OQNUDOBJGXAEMR-MNOVXSKESA-N 1 0 345.363 -1.178 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070317042 671913622 /nfs/dbraw/zinc/91/36/22/671913622.db2.gz GIHBHJCCUHHCQG-NEPJUHHUSA-N 1 0 332.368 -1.621 20 0 EAADRO O=C(c1cnn2cc[nH]c12)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070317287 671913529 /nfs/dbraw/zinc/91/35/29/671913529.db2.gz LFHJBFKOIYKVCS-NEPJUHHUSA-N 1 0 330.352 -1.099 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070317755 671913662 /nfs/dbraw/zinc/91/36/62/671913662.db2.gz ZPZLKQRTJQBANH-RTXFEEFZSA-N 1 0 346.395 -1.232 20 0 EAADRO Cc1nc[nH]c1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070317757 671913631 /nfs/dbraw/zinc/91/36/31/671913631.db2.gz ZPZLKQRTJQBANH-UHTWSYAYSA-N 1 0 346.395 -1.232 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070318755 671913363 /nfs/dbraw/zinc/91/33/63/671913363.db2.gz GUSAFCXAYCBARK-UPJWGTAASA-N 1 0 349.395 -2.027 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070318756 671913413 /nfs/dbraw/zinc/91/34/13/671913413.db2.gz GUSAFCXAYCBARK-XQQFMLRXSA-N 1 0 349.395 -2.027 20 0 EAADRO COc1c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cnn1C ZINC001070318812 671913653 /nfs/dbraw/zinc/91/36/53/671913653.db2.gz KAKKYYKFGSMHMN-NEPJUHHUSA-N 1 0 335.368 -1.332 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070318882 671913562 /nfs/dbraw/zinc/91/35/62/671913562.db2.gz OIZXYFUTBZMSGR-AGIUHOORSA-N 1 0 336.396 -1.377 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070318883 671913566 /nfs/dbraw/zinc/91/35/66/671913566.db2.gz OIZXYFUTBZMSGR-UPJWGTAASA-N 1 0 336.396 -1.377 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070318886 671913586 /nfs/dbraw/zinc/91/35/86/671913586.db2.gz OTPUGLQMYHEVQB-UTUOFQBUSA-N 1 0 349.395 -1.884 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070318887 671913599 /nfs/dbraw/zinc/91/35/99/671913599.db2.gz OTPUGLQMYHEVQB-WOPDTQHZSA-N 1 0 349.395 -1.884 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070318958 671913515 /nfs/dbraw/zinc/91/35/15/671913515.db2.gz SHUVDAHUEMGICM-MCIONIFRSA-N 1 0 336.396 -1.520 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070318959 671913615 /nfs/dbraw/zinc/91/36/15/671913615.db2.gz SHUVDAHUEMGICM-MJBXVCDLSA-N 1 0 336.396 -1.520 20 0 EAADRO COc1c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cnn1C ZINC001070318965 671913385 /nfs/dbraw/zinc/91/33/85/671913385.db2.gz SLFREEJGWMIPRN-MNOVXSKESA-N 1 0 348.367 -1.839 20 0 EAADRO CCc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070319040 671913438 /nfs/dbraw/zinc/91/34/38/671913438.db2.gz XTTISTZCVLURTA-MNOVXSKESA-N 1 0 332.368 -1.296 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1n1ccnn1 ZINC001070319686 671913591 /nfs/dbraw/zinc/91/35/91/671913591.db2.gz AVUCQWDDORANTG-OLZOCXBDSA-N 1 0 348.411 -1.067 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C2)c(=O)n1C ZINC001070319793 671913411 /nfs/dbraw/zinc/91/34/11/671913411.db2.gz GXUCMQRKQXXMSC-OLZOCXBDSA-N 1 0 348.411 -1.068 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@@H]1n1ccnn1 ZINC001070319860 671913455 /nfs/dbraw/zinc/91/34/55/671913455.db2.gz KKBTURYXPUKIIU-HZSPNIEDSA-N 1 0 336.396 -1.113 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@@H]1n1ccnn1 ZINC001070319861 671913406 /nfs/dbraw/zinc/91/34/06/671913406.db2.gz KKBTURYXPUKIIU-RDBSUJKOSA-N 1 0 336.396 -1.113 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1n1ccnn1 ZINC001070319957 671913402 /nfs/dbraw/zinc/91/34/02/671913402.db2.gz QDSQNYJKOYYFQT-NEPJUHHUSA-N 1 0 334.384 -1.457 20 0 EAADRO COCCn1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cn1 ZINC001070320043 671913554 /nfs/dbraw/zinc/91/35/54/671913554.db2.gz VDZMLPBDNUTLHW-KGLIPLIRSA-N 1 0 349.395 -1.231 20 0 EAADRO Cn1cncc1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070320061 671913610 /nfs/dbraw/zinc/91/36/10/671913610.db2.gz VWVAEZYEFVHWGA-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070320862 671913449 /nfs/dbraw/zinc/91/34/49/671913449.db2.gz CISMZFFCIDVHRG-JLLWLGSASA-N 1 0 345.363 -1.092 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070320863 671913470 /nfs/dbraw/zinc/91/34/70/671913470.db2.gz CISMZFFCIDVHRG-WCQGTBRESA-N 1 0 345.363 -1.092 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1 ZINC001070320983 671913458 /nfs/dbraw/zinc/91/34/58/671913458.db2.gz KWCYLQSECMKUAM-MNOVXSKESA-N 1 0 331.336 -1.481 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070321136 671913584 /nfs/dbraw/zinc/91/35/84/671913584.db2.gz TUMLVPXTUFYYMS-MNOVXSKESA-N 1 0 349.395 -1.030 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1n1ccnn1 ZINC001070321873 671913512 /nfs/dbraw/zinc/91/35/12/671913512.db2.gz ASCWGVQGSYTFRZ-RTXFEEFZSA-N 1 0 347.379 -1.592 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1n1ccnn1 ZINC001070321874 671913521 /nfs/dbraw/zinc/91/35/21/671913521.db2.gz ASCWGVQGSYTFRZ-UHTWSYAYSA-N 1 0 347.379 -1.592 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)ccc1=O ZINC001070321897 671913431 /nfs/dbraw/zinc/91/34/31/671913431.db2.gz CCTXCIGAJGGKQU-NEPJUHHUSA-N 1 0 333.352 -1.981 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070322109 671914062 /nfs/dbraw/zinc/91/40/62/671914062.db2.gz OQPLSLICOBXAKU-AXFHLTTASA-N 1 0 335.368 -1.372 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070322110 671914250 /nfs/dbraw/zinc/91/42/50/671914250.db2.gz OQPLSLICOBXAKU-MXWKQRLJSA-N 1 0 335.368 -1.372 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)ccc1=O ZINC001070322206 671914077 /nfs/dbraw/zinc/91/40/77/671914077.db2.gz UGXOKSJQTSHKKD-NEPJUHHUSA-N 1 0 335.343 -1.003 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)ccc1=O ZINC001070322307 671914021 /nfs/dbraw/zinc/91/40/21/671914021.db2.gz ZFERCMWQGUKJEW-MNOVXSKESA-N 1 0 346.351 -2.488 20 0 EAADRO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001070322925 671913904 /nfs/dbraw/zinc/91/39/04/671913904.db2.gz ACVOMCKTFJNFSB-NEPJUHHUSA-N 1 0 349.395 -1.173 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070322933 671913970 /nfs/dbraw/zinc/91/39/70/671913970.db2.gz ANWXKZPDVSIZAV-ZJUUUORDSA-N 1 0 339.331 -1.859 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001070322941 671914224 /nfs/dbraw/zinc/91/42/24/671914224.db2.gz AZURREPLWGBVQF-MNOVXSKESA-N 1 0 335.368 -1.420 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070322958 671914072 /nfs/dbraw/zinc/91/40/72/671914072.db2.gz BIYQYVYOWKFVTD-MNOVXSKESA-N 1 0 335.368 -1.467 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070323065 671914041 /nfs/dbraw/zinc/91/40/41/671914041.db2.gz FAIPTICHIDYMLJ-NEPJUHHUSA-N 1 0 347.379 -1.419 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070323071 671913914 /nfs/dbraw/zinc/91/39/14/671913914.db2.gz FEPAJEFSDIOLOQ-MNOVXSKESA-N 1 0 336.352 -2.239 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070323129 671913980 /nfs/dbraw/zinc/91/39/80/671913980.db2.gz GYVRURLWNHSJPA-TUAOUCFPSA-N 1 0 347.383 -1.825 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070323130 671914123 /nfs/dbraw/zinc/91/41/23/671914123.db2.gz GYVRURLWNHSJPA-UTUOFQBUSA-N 1 0 347.383 -1.825 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1n1ccnn1 ZINC001070323148 671914086 /nfs/dbraw/zinc/91/40/86/671914086.db2.gz HVXDMPLAPHBPPL-ZJUUUORDSA-N 1 0 349.351 -2.746 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070323149 671914114 /nfs/dbraw/zinc/91/41/14/671914114.db2.gz HWHFYZHRGBJLJQ-MNOVXSKESA-N 1 0 338.343 -1.262 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070323163 671913954 /nfs/dbraw/zinc/91/39/54/671913954.db2.gz IMYHAHRHQOBJTN-NEPJUHHUSA-N 1 0 349.395 -1.078 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070323216 671913958 /nfs/dbraw/zinc/91/39/58/671913958.db2.gz LSYTXZCAZBYSRP-NEPJUHHUSA-N 1 0 349.395 -1.076 20 0 EAADRO O=C(Cn1cncn1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070323320 671913942 /nfs/dbraw/zinc/91/39/42/671913942.db2.gz QMMSYRFBMXOFQQ-MCIONIFRSA-N 1 0 346.395 -1.052 20 0 EAADRO O=C(Cn1cncn1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070323321 671914140 /nfs/dbraw/zinc/91/41/40/671914140.db2.gz QMMSYRFBMXOFQQ-MJBXVCDLSA-N 1 0 346.395 -1.052 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070323383 671913932 /nfs/dbraw/zinc/91/39/32/671913932.db2.gz UTYXFEGVSOSZMW-ZJUUUORDSA-N 1 0 337.340 -2.836 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001070323406 671914175 /nfs/dbraw/zinc/91/41/75/671914175.db2.gz VWCCWYMWEDPRSC-MNOVXSKESA-N 1 0 335.368 -1.419 20 0 EAADRO O=C(Cn1cncn1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070323447 671914255 /nfs/dbraw/zinc/91/42/55/671914255.db2.gz YIHCURBLBQXAIK-TUAOUCFPSA-N 1 0 345.367 -2.200 20 0 EAADRO O=C(Cn1cncn1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070323448 671913990 /nfs/dbraw/zinc/91/39/90/671913990.db2.gz YIHCURBLBQXAIK-UTUOFQBUSA-N 1 0 345.367 -2.200 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070323453 671914046 /nfs/dbraw/zinc/91/40/46/671914046.db2.gz YUYUSOOWYJUUGE-AXFHLTTASA-N 1 0 333.356 -2.215 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070323454 671914209 /nfs/dbraw/zinc/91/42/09/671914209.db2.gz YUYUSOOWYJUUGE-MXWKQRLJSA-N 1 0 333.356 -2.215 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1n1ccnn1 ZINC001070324281 671914182 /nfs/dbraw/zinc/91/41/82/671914182.db2.gz BTGRBICLNHUIIF-MCIONIFRSA-N 1 0 346.391 -1.138 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1n1ccnn1 ZINC001070324282 671914043 /nfs/dbraw/zinc/91/40/43/671914043.db2.gz BTGRBICLNHUIIF-MJBXVCDLSA-N 1 0 346.391 -1.138 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1n1ccnn1 ZINC001070324301 671914168 /nfs/dbraw/zinc/91/41/68/671914168.db2.gz DCBJLDHHFFSARL-NEPJUHHUSA-N 1 0 345.363 -2.033 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@H]1n1ccnn1 ZINC001070324314 671914164 /nfs/dbraw/zinc/91/41/64/671914164.db2.gz DTBNBHMRNJCDOC-ZJUUUORDSA-N 1 0 330.352 -1.158 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070324478 671913946 /nfs/dbraw/zinc/91/39/46/671913946.db2.gz OCIWHKGXVINANU-ZJUUUORDSA-N 1 0 348.342 -1.208 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070324596 671913963 /nfs/dbraw/zinc/91/39/63/671913963.db2.gz VBKATNKBONIKRJ-ZJUUUORDSA-N 1 0 346.351 -2.185 20 0 EAADRO O=C(Cn1ccccc1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070324623 671914235 /nfs/dbraw/zinc/91/42/35/671914235.db2.gz WMIPPIZWQXBAKU-OLZOCXBDSA-N 1 0 332.364 -1.526 20 0 EAADRO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070325308 671914054 /nfs/dbraw/zinc/91/40/54/671914054.db2.gz BLNFLDPXNQOCDD-OLZOCXBDSA-N 1 0 346.395 -1.312 20 0 EAADRO Cc1noc(C)c1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070325367 671914131 /nfs/dbraw/zinc/91/41/31/671914131.db2.gz GPOZYGMDYBGPBX-OLZOCXBDSA-N 1 0 347.379 -1.048 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c(=O)[nH]c1=O ZINC001070325699 671914184 /nfs/dbraw/zinc/91/41/84/671914184.db2.gz MTXLUVLSECPEIN-MNOVXSKESA-N 1 0 349.351 -2.275 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070325868 671914230 /nfs/dbraw/zinc/91/42/30/671914230.db2.gz WSXNXZCMWUCNKH-MNOVXSKESA-N 1 0 333.352 -1.247 20 0 EAADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)no1 ZINC001070325896 671913895 /nfs/dbraw/zinc/91/38/95/671913895.db2.gz YZWMNUBDCMPHHW-MNOVXSKESA-N 1 0 349.351 -1.453 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1n1ccnn1 ZINC001070326733 671914457 /nfs/dbraw/zinc/91/44/57/671914457.db2.gz AGCVTBXXHVZQCT-BIMULSAOSA-N 1 0 347.379 -1.259 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1n1ccnn1 ZINC001070326734 671914842 /nfs/dbraw/zinc/91/48/42/671914842.db2.gz AGCVTBXXHVZQCT-WQAKAFBOSA-N 1 0 347.379 -1.259 20 0 EAADRO NC(=O)c1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070326740 671914663 /nfs/dbraw/zinc/91/46/63/671914663.db2.gz AQPPBXZOOBRNNX-NEPJUHHUSA-N 1 0 333.352 -1.647 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070326775 671914804 /nfs/dbraw/zinc/91/48/04/671914804.db2.gz BXXSPBSBOZHYFF-JLLWLGSASA-N 1 0 332.368 -1.459 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070326776 671914517 /nfs/dbraw/zinc/91/45/17/671914517.db2.gz BXXSPBSBOZHYFF-WCQGTBRESA-N 1 0 332.368 -1.459 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070326868 671914550 /nfs/dbraw/zinc/91/45/50/671914550.db2.gz GUPBTGYFXZCOLV-RTXFEEFZSA-N 1 0 344.379 -1.445 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)n1 ZINC001070326869 671914696 /nfs/dbraw/zinc/91/46/96/671914696.db2.gz GUPBTGYFXZCOLV-UHTWSYAYSA-N 1 0 344.379 -1.445 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1n1ccnn1 ZINC001070326908 671914845 /nfs/dbraw/zinc/91/48/45/671914845.db2.gz IRPPISLTDAHULS-MNOVXSKESA-N 1 0 346.351 -2.154 20 0 EAADRO O=C(CCN1CCCC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070327741 671914563 /nfs/dbraw/zinc/91/45/63/671914563.db2.gz FEFMVKICHGYASB-OLZOCXBDSA-N 1 0 336.396 -1.376 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070328063 671914834 /nfs/dbraw/zinc/91/48/34/671914834.db2.gz LSULFBUSFARZNH-NEPJUHHUSA-N 1 0 332.368 -1.690 20 0 EAADRO Cc1nccc(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070328069 671914480 /nfs/dbraw/zinc/91/44/80/671914480.db2.gz MBFCMBAZKSAMCA-BIMULSAOSA-N 1 0 344.379 -1.094 20 0 EAADRO Cc1nccc(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070328070 671914766 /nfs/dbraw/zinc/91/47/66/671914766.db2.gz MBFCMBAZKSAMCA-WQAKAFBOSA-N 1 0 344.379 -1.094 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070328112 671914670 /nfs/dbraw/zinc/91/46/70/671914670.db2.gz OSDYKYBUGRYPKQ-NEPJUHHUSA-N 1 0 349.395 -1.883 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070328250 671914603 /nfs/dbraw/zinc/91/46/03/671914603.db2.gz SLOLKQJYNPUDCZ-RTXFEEFZSA-N 1 0 346.395 -1.069 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070328251 671914708 /nfs/dbraw/zinc/91/47/08/671914708.db2.gz SLOLKQJYNPUDCZ-UHTWSYAYSA-N 1 0 346.395 -1.069 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070328297 671914778 /nfs/dbraw/zinc/91/47/78/671914778.db2.gz VPEAJEOZSQMTFR-RTXFEEFZSA-N 1 0 346.395 -1.301 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070328298 671914722 /nfs/dbraw/zinc/91/47/22/671914722.db2.gz VPEAJEOZSQMTFR-UHTWSYAYSA-N 1 0 346.395 -1.301 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001070328905 671914533 /nfs/dbraw/zinc/91/45/33/671914533.db2.gz BBUMONNAINFVEU-TUAOUCFPSA-N 1 0 342.425 -1.280 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001070328906 671914536 /nfs/dbraw/zinc/91/45/36/671914536.db2.gz BBUMONNAINFVEU-UTUOFQBUSA-N 1 0 342.425 -1.280 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070328908 671914693 /nfs/dbraw/zinc/91/46/93/671914693.db2.gz BESUHJKOTVUPDB-AXFHLTTASA-N 1 0 344.397 -2.696 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070328909 671914792 /nfs/dbraw/zinc/91/47/92/671914792.db2.gz BESUHJKOTVUPDB-MXWKQRLJSA-N 1 0 344.397 -2.696 20 0 EAADRO Cc1nccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070329110 671914583 /nfs/dbraw/zinc/91/45/83/671914583.db2.gz IKVAOTIQDINYEU-NEPJUHHUSA-N 1 0 330.352 -1.483 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070329164 671915234 /nfs/dbraw/zinc/91/52/34/671915234.db2.gz LAIWWEXQPXAELU-AXFHLTTASA-N 1 0 346.388 -1.719 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070329165 671915305 /nfs/dbraw/zinc/91/53/05/671915305.db2.gz LAIWWEXQPXAELU-MXWKQRLJSA-N 1 0 346.388 -1.719 20 0 EAADRO CCc1ncncc1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070329429 671915070 /nfs/dbraw/zinc/91/50/70/671915070.db2.gz PGSJLGRNTZCVSR-OLZOCXBDSA-N 1 0 344.379 -1.229 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001070329462 671915343 /nfs/dbraw/zinc/91/53/43/671915343.db2.gz QSCZNFDAOVSYGZ-TUAOUCFPSA-N 1 0 342.425 -1.279 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001070329463 671915216 /nfs/dbraw/zinc/91/52/16/671915216.db2.gz QSCZNFDAOVSYGZ-UTUOFQBUSA-N 1 0 342.425 -1.279 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070329472 671915331 /nfs/dbraw/zinc/91/53/31/671915331.db2.gz RFWGZAKNIVEOIE-UPJWGTAASA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070329473 671915415 /nfs/dbraw/zinc/91/54/15/671915415.db2.gz RFWGZAKNIVEOIE-XQQFMLRXSA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)c1cncc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1 ZINC001070329474 671915063 /nfs/dbraw/zinc/91/50/63/671915063.db2.gz RGUCOTUCVZKOPV-OLZOCXBDSA-N 1 0 345.363 -1.580 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001070329528 671915124 /nfs/dbraw/zinc/91/51/24/671915124.db2.gz UIPQZJLAIFGSCB-AXFHLTTASA-N 1 0 328.398 -1.669 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001070329529 671915060 /nfs/dbraw/zinc/91/50/60/671915060.db2.gz UIPQZJLAIFGSCB-MXWKQRLJSA-N 1 0 328.398 -1.669 20 0 EAADRO NC(=O)c1ncccc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070330028 671915408 /nfs/dbraw/zinc/91/54/08/671915408.db2.gz RNXZODNFARGFPA-NEPJUHHUSA-N 1 0 345.363 -1.580 20 0 EAADRO O=C(c1noc2c1COCC2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070330070 671915362 /nfs/dbraw/zinc/91/53/62/671915362.db2.gz UFWKCVWIRZOYKN-NEPJUHHUSA-N 1 0 348.363 -1.014 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070331064 671915174 /nfs/dbraw/zinc/91/51/74/671915174.db2.gz BOOWYTLJRRMDQE-HZSPNIEDSA-N 1 0 338.412 -1.667 20 0 EAADRO CCN1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070331065 671915319 /nfs/dbraw/zinc/91/53/19/671915319.db2.gz BOOWYTLJRRMDQE-RDBSUJKOSA-N 1 0 338.412 -1.667 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@@H]1n1ccnn1 ZINC001070331197 671915082 /nfs/dbraw/zinc/91/50/82/671915082.db2.gz IYOFBNOVWDZHMO-HZSPNIEDSA-N 1 0 336.396 -1.113 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@@H]1n1ccnn1 ZINC001070331198 671915015 /nfs/dbraw/zinc/91/50/15/671915015.db2.gz IYOFBNOVWDZHMO-RDBSUJKOSA-N 1 0 336.396 -1.113 20 0 EAADRO Cn1cc(CCC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC001070332366 671915434 /nfs/dbraw/zinc/91/54/34/671915434.db2.gz AHIGFPNLRINPDA-OLZOCXBDSA-N 1 0 346.395 -1.529 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1n1ccnn1 ZINC001070332404 671915117 /nfs/dbraw/zinc/91/51/17/671915117.db2.gz BXRCYLILJGKGGR-PWSUYJOCSA-N 1 0 347.383 -1.581 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070332405 671914999 /nfs/dbraw/zinc/91/49/99/671914999.db2.gz BYORFUFLXCMTCF-MCIONIFRSA-N 1 0 349.439 -1.021 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070332406 671915144 /nfs/dbraw/zinc/91/51/44/671915144.db2.gz BYORFUFLXCMTCF-RDBSUJKOSA-N 1 0 349.439 -1.021 20 0 EAADRO Cn1cc(CCC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cn1 ZINC001070332516 671914990 /nfs/dbraw/zinc/91/49/90/671914990.db2.gz HPWUMINFSQALID-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO O=C([C@H]1CCCS1(=O)=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332686 671915096 /nfs/dbraw/zinc/91/50/96/671915096.db2.gz QHYPQBNQDCTORZ-GRYCIOLGSA-N 1 0 343.409 -1.811 20 0 EAADRO O=C([C@@H]1CCCS1(=O)=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332687 671915355 /nfs/dbraw/zinc/91/53/55/671915355.db2.gz QHYPQBNQDCTORZ-WOPDTQHZSA-N 1 0 343.409 -1.811 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1n1ccnn1 ZINC001070332852 671915299 /nfs/dbraw/zinc/91/52/99/671915299.db2.gz YKLYVQYQIVXYRT-PWSUYJOCSA-N 1 0 347.383 -1.580 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nn1 ZINC001070332864 671915271 /nfs/dbraw/zinc/91/52/71/671915271.db2.gz YUYRELHDLNSKOS-KOLCDFICSA-N 1 0 349.355 -2.998 20 0 EAADRO O=C([C@@H]1CCc2nncn2C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332871 671915392 /nfs/dbraw/zinc/91/53/92/671915392.db2.gz YXDAGODRMBGTEA-UPJWGTAASA-N 1 0 346.395 -1.534 20 0 EAADRO O=C([C@H]1CCc2nncn2C1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332872 671915043 /nfs/dbraw/zinc/91/50/43/671915043.db2.gz YXDAGODRMBGTEA-XQQFMLRXSA-N 1 0 346.395 -1.534 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1n1ccnn1 ZINC001070332885 671915022 /nfs/dbraw/zinc/91/50/22/671915022.db2.gz ZGTWKVQHPIAPJN-KOLCDFICSA-N 1 0 333.356 -1.970 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCC1=O ZINC001070333544 671915013 /nfs/dbraw/zinc/91/50/13/671915013.db2.gz DUHKIGKILRKDOT-UPJWGTAASA-N 1 0 336.396 -1.520 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCC1=O ZINC001070333545 671915280 /nfs/dbraw/zinc/91/52/80/671915280.db2.gz DUHKIGKILRKDOT-XQQFMLRXSA-N 1 0 336.396 -1.520 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC1=O ZINC001070333668 671915431 /nfs/dbraw/zinc/91/54/31/671915431.db2.gz MVCBMCSOPQJCDE-TUAOUCFPSA-N 1 0 349.395 -2.027 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC1=O ZINC001070333669 671915661 /nfs/dbraw/zinc/91/56/61/671915661.db2.gz MVCBMCSOPQJCDE-UTUOFQBUSA-N 1 0 349.395 -2.027 20 0 EAADRO Cc1cnn(CCC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)c1 ZINC001070333786 671915689 /nfs/dbraw/zinc/91/56/89/671915689.db2.gz VKOULDMEKPCNNZ-OLZOCXBDSA-N 1 0 346.395 -1.300 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070334455 671915667 /nfs/dbraw/zinc/91/56/67/671915667.db2.gz ABTRXTDNFOIYLY-MCIONIFRSA-N 1 0 336.396 -1.377 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1n1ccnn1 ZINC001070334552 671915704 /nfs/dbraw/zinc/91/57/04/671915704.db2.gz DXRBKWVNFLNBSE-TUAOUCFPSA-N 1 0 349.395 -1.649 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1n1ccnn1 ZINC001070334553 671915752 /nfs/dbraw/zinc/91/57/52/671915752.db2.gz DXRBKWVNFLNBSE-UTUOFQBUSA-N 1 0 349.395 -1.649 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n(C)c1=O ZINC001070334846 671915709 /nfs/dbraw/zinc/91/57/09/671915709.db2.gz SEEZFYHKRQDQKE-MNOVXSKESA-N 1 0 335.368 -2.037 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n(C)c1=O ZINC001070334868 671915878 /nfs/dbraw/zinc/91/58/78/671915878.db2.gz UINYFRLHCDOWCP-ZJUUUORDSA-N 1 0 348.367 -2.544 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)n(C)c1=O ZINC001070334942 671916051 /nfs/dbraw/zinc/91/60/51/671916051.db2.gz XHGKAEOXFVXESV-MNOVXSKESA-N 1 0 337.359 -1.060 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070334996 671915951 /nfs/dbraw/zinc/91/59/51/671915951.db2.gz ZWULSDKELSJGAF-UPJWGTAASA-N 1 0 349.395 -1.884 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nc1 ZINC001070336953 671915971 /nfs/dbraw/zinc/91/59/71/671915971.db2.gz CZODGTXLGPRQBN-OLZOCXBDSA-N 1 0 345.363 -1.580 20 0 EAADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1C ZINC001070337234 671915777 /nfs/dbraw/zinc/91/57/77/671915777.db2.gz UGUCAYJEKRTATN-OLZOCXBDSA-N 1 0 346.395 -1.285 20 0 EAADRO NC(=O)c1cccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070337549 671915870 /nfs/dbraw/zinc/91/58/70/671915870.db2.gz CJSHOLWTKAADCT-OLZOCXBDSA-N 1 0 345.363 -1.580 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337612 671916027 /nfs/dbraw/zinc/91/60/27/671916027.db2.gz HCSSGZVTROHVMP-AXFHLTTASA-N 1 0 348.367 -1.111 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337613 671915622 /nfs/dbraw/zinc/91/56/22/671915622.db2.gz HCSSGZVTROHVMP-MXWKQRLJSA-N 1 0 348.367 -1.111 20 0 EAADRO O=C(Cn1ccnc1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070337724 671915805 /nfs/dbraw/zinc/91/58/05/671915805.db2.gz HRBUPLODQWJVEI-UPJWGTAASA-N 1 0 344.379 -1.595 20 0 EAADRO O=C(Cn1ccnc1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070337725 671915677 /nfs/dbraw/zinc/91/56/77/671915677.db2.gz HRBUPLODQWJVEI-XQQFMLRXSA-N 1 0 344.379 -1.595 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337738 671915754 /nfs/dbraw/zinc/91/57/54/671915754.db2.gz IDPGGDOMCOMHOM-TUAOUCFPSA-N 1 0 332.368 -1.610 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337739 671915770 /nfs/dbraw/zinc/91/57/70/671915770.db2.gz IDPGGDOMCOMHOM-UTUOFQBUSA-N 1 0 332.368 -1.610 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)cn1 ZINC001070337766 671915913 /nfs/dbraw/zinc/91/59/13/671915913.db2.gz JOQSKIHDMCTCQA-OLZOCXBDSA-N 1 0 345.363 -1.580 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070337773 671915633 /nfs/dbraw/zinc/91/56/33/671915633.db2.gz KCXTUPZONIUTOM-AEJSXWLSSA-N 1 0 334.340 -1.501 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070337774 671915644 /nfs/dbraw/zinc/91/56/44/671915644.db2.gz KCXTUPZONIUTOM-BBBLOLIVSA-N 1 0 334.340 -1.501 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337779 671915853 /nfs/dbraw/zinc/91/58/53/671915853.db2.gz KIOWBKDNUDMBMR-UPJWGTAASA-N 1 0 346.395 -1.220 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337780 671915843 /nfs/dbraw/zinc/91/58/43/671915843.db2.gz KIOWBKDNUDMBMR-XQQFMLRXSA-N 1 0 346.395 -1.220 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070338322 671915764 /nfs/dbraw/zinc/91/57/64/671915764.db2.gz YBDUMVSNBACNFQ-AXFHLTTASA-N 1 0 346.351 -1.487 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070338323 671915961 /nfs/dbraw/zinc/91/59/61/671915961.db2.gz YBDUMVSNBACNFQ-MXWKQRLJSA-N 1 0 346.351 -1.487 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070338351 671915815 /nfs/dbraw/zinc/91/58/15/671915815.db2.gz ZAVBXZZDEZWBFJ-WOPDTQHZSA-N 1 0 337.384 -1.845 20 0 EAADRO Cn1cc(CCC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)nn1 ZINC001070339071 671915743 /nfs/dbraw/zinc/91/57/43/671915743.db2.gz DKUNMFKLQNORJV-NEPJUHHUSA-N 1 0 347.383 -2.134 20 0 EAADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070339254 671915887 /nfs/dbraw/zinc/91/58/87/671915887.db2.gz OJBMPKLEMAEZFH-TUAOUCFPSA-N 1 0 344.379 -1.147 20 0 EAADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070339255 671915727 /nfs/dbraw/zinc/91/57/27/671915727.db2.gz OJBMPKLEMAEZFH-UTUOFQBUSA-N 1 0 344.379 -1.147 20 0 EAADRO CCn1nc(C)c(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n1 ZINC001070339278 671915837 /nfs/dbraw/zinc/91/58/37/671915837.db2.gz PUJQQDDTEPLFIY-NEPJUHHUSA-N 1 0 334.384 -1.154 20 0 EAADRO Cn1cc(CCC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)nn1 ZINC001070339318 671915720 /nfs/dbraw/zinc/91/57/20/671915720.db2.gz RTKJMAHWNGQHLK-OLZOCXBDSA-N 1 0 334.384 -1.627 20 0 EAADRO CCn1nc(C)c(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n1 ZINC001070339319 671915651 /nfs/dbraw/zinc/91/56/51/671915651.db2.gz RTYNLKYLGWGGOQ-MNOVXSKESA-N 1 0 347.383 -1.661 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001070339350 671915906 /nfs/dbraw/zinc/91/59/06/671915906.db2.gz UHZKXTMNZMNUIN-BNOWGMLFSA-N 1 0 348.411 -1.238 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001070339351 671915787 /nfs/dbraw/zinc/91/57/87/671915787.db2.gz UHZKXTMNZMNUIN-YUTCNCBUSA-N 1 0 348.411 -1.238 20 0 EAADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070339458 671915824 /nfs/dbraw/zinc/91/58/24/671915824.db2.gz ZOEPGRGNSZDPPF-AXFHLTTASA-N 1 0 332.368 -1.161 20 0 EAADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070339459 671915924 /nfs/dbraw/zinc/91/59/24/671915924.db2.gz ZOEPGRGNSZDPPF-MXWKQRLJSA-N 1 0 332.368 -1.161 20 0 EAADRO NC(=O)c1ccnc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)c1 ZINC001070340199 671915917 /nfs/dbraw/zinc/91/59/17/671915917.db2.gz DTMRUASKQCTTCQ-OLZOCXBDSA-N 1 0 345.363 -1.580 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)N1CCOCC1 ZINC001070340273 671915760 /nfs/dbraw/zinc/91/57/60/671915760.db2.gz IGMLMXIZDUJZIO-MJBXVCDLSA-N 1 0 338.412 -1.667 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@@H]1n1ccnn1 ZINC001070340370 671915863 /nfs/dbraw/zinc/91/58/63/671915863.db2.gz MXEIECHWWUECHP-UPJWGTAASA-N 1 0 348.407 -1.078 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@@H]1n1ccnn1 ZINC001070340371 671915939 /nfs/dbraw/zinc/91/59/39/671915939.db2.gz MXEIECHWWUECHP-XQQFMLRXSA-N 1 0 348.407 -1.078 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070340400 671915790 /nfs/dbraw/zinc/91/57/90/671915790.db2.gz OKNFCVOVIYJHII-AXFHLTTASA-N 1 0 338.343 -1.358 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070340401 671915608 /nfs/dbraw/zinc/91/56/08/671915608.db2.gz OKNFCVOVIYJHII-MXWKQRLJSA-N 1 0 338.343 -1.358 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070340456 671916342 /nfs/dbraw/zinc/91/63/42/671916342.db2.gz RCDBQMSMJDBVIG-AEJSXWLSSA-N 1 0 349.351 -2.842 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070340457 671916315 /nfs/dbraw/zinc/91/63/15/671916315.db2.gz RCDBQMSMJDBVIG-BBBLOLIVSA-N 1 0 349.351 -2.842 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070340586 671916370 /nfs/dbraw/zinc/91/63/70/671916370.db2.gz YLYOLYGAENRLCS-AXFHLTTASA-N 1 0 336.352 -2.335 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070340587 671916266 /nfs/dbraw/zinc/91/62/66/671916266.db2.gz YLYOLYGAENRLCS-MXWKQRLJSA-N 1 0 336.352 -2.335 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1cnn(C)c1 ZINC001070341688 671916274 /nfs/dbraw/zinc/91/62/74/671916274.db2.gz UZRXBGWLKKZKTK-RTXFEEFZSA-N 1 0 346.395 -1.358 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1cnn(C)c1 ZINC001070341689 671916328 /nfs/dbraw/zinc/91/63/28/671916328.db2.gz UZRXBGWLKKZKTK-UHTWSYAYSA-N 1 0 346.395 -1.358 20 0 EAADRO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nnn(C)n2)[nH]1 ZINC001070355540 671916446 /nfs/dbraw/zinc/91/64/46/671916446.db2.gz HAQWBOVPNKCUFO-IUCAKERBSA-N 1 0 335.372 -1.260 20 0 EAADRO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001070356270 671916428 /nfs/dbraw/zinc/91/64/28/671916428.db2.gz XXGWRUJGQQZMKU-AEJSXWLSSA-N 1 0 337.384 -1.416 20 0 EAADRO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001070356271 671916304 /nfs/dbraw/zinc/91/63/04/671916304.db2.gz XXGWRUJGQQZMKU-GUBZILKMSA-N 1 0 337.384 -1.416 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001070370075 671917409 /nfs/dbraw/zinc/91/74/09/671917409.db2.gz DYFGBCUOOHOAIM-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)c1cn[nH]n1 ZINC001070374165 671917994 /nfs/dbraw/zinc/91/79/94/671917994.db2.gz WOFNEIQYAUYBMZ-RISCZKNCSA-N 1 0 336.396 -1.114 20 0 EAADRO CO[C@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377056 671918040 /nfs/dbraw/zinc/91/80/40/671918040.db2.gz BXSLMUSGHNCXCS-QKCSRTOESA-N 1 0 340.424 -1.018 20 0 EAADRO CO[C@@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377057 671917891 /nfs/dbraw/zinc/91/78/91/671917891.db2.gz BXSLMUSGHNCXCS-SUHUHFCYSA-N 1 0 340.424 -1.018 20 0 EAADRO CNC(=O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377058 671917897 /nfs/dbraw/zinc/91/78/97/671917897.db2.gz BYOOPVHXTYFGPR-MFKMUULPSA-N 1 0 339.396 -2.307 20 0 EAADRO COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377119 671918017 /nfs/dbraw/zinc/91/80/17/671918017.db2.gz FZZPNFRYCOKYKY-YPMHNXCESA-N 1 0 326.397 -1.407 20 0 EAADRO C[C@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377131 671917790 /nfs/dbraw/zinc/91/77/90/671917790.db2.gz GUPRFSZIXPNZAV-NDMJEZRESA-N 1 0 326.397 -1.672 20 0 EAADRO C[C@@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377132 671918002 /nfs/dbraw/zinc/91/80/02/671918002.db2.gz GUPRFSZIXPNZAV-XWIASGKRSA-N 1 0 326.397 -1.672 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377271 671917884 /nfs/dbraw/zinc/91/78/84/671917884.db2.gz OUIRXZKYUSDVMU-UISBYWKRSA-N 1 0 339.396 -2.179 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070377272 671917934 /nfs/dbraw/zinc/91/79/34/671917934.db2.gz OUIRXZKYUSDVMU-XRNSZHNASA-N 1 0 339.396 -2.179 20 0 EAADRO COC[C@@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070378506 671917894 /nfs/dbraw/zinc/91/78/94/671917894.db2.gz SUIBIFWYPKKYEG-QKCSRTOESA-N 1 0 340.424 -1.018 20 0 EAADRO COC[C@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001070378507 671917818 /nfs/dbraw/zinc/91/78/18/671917818.db2.gz SUIBIFWYPKKYEG-SUHUHFCYSA-N 1 0 340.424 -1.018 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001070378563 671918031 /nfs/dbraw/zinc/91/80/31/671918031.db2.gz WAXWUOSYJLYVRI-YPMHNXCESA-N 1 0 326.397 -1.671 20 0 EAADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)c1nnc[nH]1 ZINC001070380467 671917850 /nfs/dbraw/zinc/91/78/50/671917850.db2.gz HUUSVXSMLCSGQH-YPMHNXCESA-N 1 0 336.396 -1.114 20 0 EAADRO Cn1nnc(C(=O)NCc2ccncc2O[C@H]2CC[N@H+](CCO)C2)n1 ZINC001070386273 671917806 /nfs/dbraw/zinc/91/78/06/671917806.db2.gz HUDQDHQLTBFHTA-LBPRGKRZSA-N 1 0 347.379 -1.020 20 0 EAADRO O=C(NCc1ccncc1O[C@H]1CC[N@@H+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001070387370 671917969 /nfs/dbraw/zinc/91/79/69/671917969.db2.gz LPFJFBNSVSRZFB-QWHCGFSZSA-N 1 0 349.391 -1.175 20 0 EAADRO O=C(NCc1ccncc1O[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001070387371 671917839 /nfs/dbraw/zinc/91/78/39/671917839.db2.gz LPFJFBNSVSRZFB-STQMWFEESA-N 1 0 349.391 -1.175 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001070407161 671919427 /nfs/dbraw/zinc/91/94/27/671919427.db2.gz YWOFDQIGXSPNIB-LLVKDONJSA-N 1 0 329.401 -1.660 20 0 EAADRO O=C(NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001070410039 671920538 /nfs/dbraw/zinc/92/05/38/671920538.db2.gz SMLSEFBFSRPMGR-JTQLQIEISA-N 1 0 342.421 -1.148 20 0 EAADRO O=C(NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001070410040 671920444 /nfs/dbraw/zinc/92/04/44/671920444.db2.gz SMLSEFBFSRPMGR-SNVBAGLBSA-N 1 0 342.421 -1.148 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001070411899 671920548 /nfs/dbraw/zinc/92/05/48/671920548.db2.gz CKPOTTWVAXDUMD-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CN1C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)NC1=O ZINC001070419726 671921084 /nfs/dbraw/zinc/92/10/84/671921084.db2.gz HAVJIRNGCBJQSU-CMPLNLGQSA-N 1 0 336.396 -1.169 20 0 EAADRO CN1C[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)NC1=O ZINC001070419727 671921012 /nfs/dbraw/zinc/92/10/12/671921012.db2.gz HAVJIRNGCBJQSU-JQWIXIFHSA-N 1 0 336.396 -1.169 20 0 EAADRO CN1C[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)NC1=O ZINC001070419728 671920838 /nfs/dbraw/zinc/92/08/38/671920838.db2.gz HAVJIRNGCBJQSU-PWSUYJOCSA-N 1 0 336.396 -1.169 20 0 EAADRO CN1C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)NC1=O ZINC001070419729 671920948 /nfs/dbraw/zinc/92/09/48/671920948.db2.gz HAVJIRNGCBJQSU-ZYHUDNBSSA-N 1 0 336.396 -1.169 20 0 EAADRO O=C(NCc1c[nH]nc1[C@H]1CC[N@@H+](CCCO)C1)[C@H]1CNC(=O)N1 ZINC001070423148 671921408 /nfs/dbraw/zinc/92/14/08/671921408.db2.gz RHGKBNGVXOHYEH-CMPLNLGQSA-N 1 0 336.396 -1.121 20 0 EAADRO O=C(NCc1c[nH]nc1[C@H]1CC[N@@H+](CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001070423149 671921377 /nfs/dbraw/zinc/92/13/77/671921377.db2.gz RHGKBNGVXOHYEH-JQWIXIFHSA-N 1 0 336.396 -1.121 20 0 EAADRO O=C(NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001070423150 671921404 /nfs/dbraw/zinc/92/14/04/671921404.db2.gz RHGKBNGVXOHYEH-PWSUYJOCSA-N 1 0 336.396 -1.121 20 0 EAADRO O=C(NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCCO)C1)[C@H]1CNC(=O)N1 ZINC001070423151 671921433 /nfs/dbraw/zinc/92/14/33/671921433.db2.gz RHGKBNGVXOHYEH-ZYHUDNBSSA-N 1 0 336.396 -1.121 20 0 EAADRO O=C(NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1)C1CC(=O)NC(=O)C1 ZINC001070430725 671921526 /nfs/dbraw/zinc/92/15/26/671921526.db2.gz AOGUDYKXWQEKCF-JTQLQIEISA-N 1 0 349.391 -1.140 20 0 EAADRO O=C(NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1)C1CC(=O)NC(=O)C1 ZINC001070430726 671921656 /nfs/dbraw/zinc/92/16/56/671921656.db2.gz AOGUDYKXWQEKCF-SNVBAGLBSA-N 1 0 349.391 -1.140 20 0 EAADRO Cc1nnc([C@H]2CN(C(=O)CC(N)=O)CC23C[NH+](C[C@H](C)O)C3)[nH]1 ZINC001070442785 671922258 /nfs/dbraw/zinc/92/22/58/671922258.db2.gz PLIQMVBPTQXRJM-GXSJLCMTSA-N 1 0 336.396 -1.403 20 0 EAADRO Cc1nnc([C@@H]2CN(C(=O)CC(N)=O)CC23C[NH+](C[C@@H](C)O)C3)[nH]1 ZINC001070442786 671922253 /nfs/dbraw/zinc/92/22/53/671922253.db2.gz PLIQMVBPTQXRJM-KOLCDFICSA-N 1 0 336.396 -1.403 20 0 EAADRO Cc1nnc([C@H]2CN(C(=O)CC(N)=O)CC23C[NH+](C[C@@H](C)O)C3)[nH]1 ZINC001070442787 671922145 /nfs/dbraw/zinc/92/21/45/671922145.db2.gz PLIQMVBPTQXRJM-MWLCHTKSSA-N 1 0 336.396 -1.403 20 0 EAADRO Cc1nnc([C@@H]2CN(C(=O)CC(N)=O)CC23C[NH+](C[C@H](C)O)C3)[nH]1 ZINC001070442788 671922299 /nfs/dbraw/zinc/92/22/99/671922299.db2.gz PLIQMVBPTQXRJM-ONGXEEELSA-N 1 0 336.396 -1.403 20 0 EAADRO Cc1nnc([C@H]2CN(C(=O)CC(N)=O)CC23C[NH+](CCCO)C3)[nH]1 ZINC001070443133 671922207 /nfs/dbraw/zinc/92/22/07/671922207.db2.gz YSDVINNCWLLRLV-LLVKDONJSA-N 1 0 336.396 -1.401 20 0 EAADRO Cc1nnc([C@@H]2CN(C(=O)CC(N)=O)CC23C[NH+](CCCO)C3)[nH]1 ZINC001070443134 671922308 /nfs/dbraw/zinc/92/23/08/671922308.db2.gz YSDVINNCWLLRLV-NSHDSACASA-N 1 0 336.396 -1.401 20 0 EAADRO COC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448759 671922716 /nfs/dbraw/zinc/92/27/16/671922716.db2.gz AWRJHWBPMDPMLC-GXSJLCMTSA-N 1 0 336.396 -1.139 20 0 EAADRO COC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001070448760 671922742 /nfs/dbraw/zinc/92/27/42/671922742.db2.gz AWRJHWBPMDPMLC-KOLCDFICSA-N 1 0 336.396 -1.139 20 0 EAADRO COC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448761 671922618 /nfs/dbraw/zinc/92/26/18/671922618.db2.gz AWRJHWBPMDPMLC-MWLCHTKSSA-N 1 0 336.396 -1.139 20 0 EAADRO COC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001070448762 671922699 /nfs/dbraw/zinc/92/26/99/671922699.db2.gz AWRJHWBPMDPMLC-ONGXEEELSA-N 1 0 336.396 -1.139 20 0 EAADRO CO[C@@H](C)C[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449345 671922594 /nfs/dbraw/zinc/92/25/94/671922594.db2.gz PPENIDCVBNQDFO-GXSJLCMTSA-N 1 0 336.396 -1.139 20 0 EAADRO CO[C@H](C)C[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001070449347 671922692 /nfs/dbraw/zinc/92/26/92/671922692.db2.gz PPENIDCVBNQDFO-KOLCDFICSA-N 1 0 336.396 -1.139 20 0 EAADRO CO[C@H](C)C[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449349 671922564 /nfs/dbraw/zinc/92/25/64/671922564.db2.gz PPENIDCVBNQDFO-MWLCHTKSSA-N 1 0 336.396 -1.139 20 0 EAADRO CO[C@@H](C)C[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001070449351 671922576 /nfs/dbraw/zinc/92/25/76/671922576.db2.gz PPENIDCVBNQDFO-ONGXEEELSA-N 1 0 336.396 -1.139 20 0 EAADRO Cc1nnc([C@@H]2CN(C(=O)C(N)=O)CC23C[NH+](C[C@H]2CCOC2)C3)[nH]1 ZINC001070449821 671922658 /nfs/dbraw/zinc/92/26/58/671922658.db2.gz XFYLMPZWJKSBAZ-NEPJUHHUSA-N 1 0 348.407 -1.137 20 0 EAADRO Cc1nnc([C@H]2CN(C(=O)C(N)=O)CC23C[NH+](C[C@@H]2CCOC2)C3)[nH]1 ZINC001070449823 671922676 /nfs/dbraw/zinc/92/26/76/671922676.db2.gz XFYLMPZWJKSBAZ-NWDGAFQWSA-N 1 0 348.407 -1.137 20 0 EAADRO Cc1nnc([C@@H]2CN(C(=O)C(N)=O)CC23C[NH+](C[C@@H]2CCOC2)C3)[nH]1 ZINC001070449825 671922681 /nfs/dbraw/zinc/92/26/81/671922681.db2.gz XFYLMPZWJKSBAZ-RYUDHWBXSA-N 1 0 348.407 -1.137 20 0 EAADRO Cc1nnc([C@H]2CN(C(=O)C(N)=O)CC23C[NH+](C[C@H]2CCOC2)C3)[nH]1 ZINC001070449828 671923112 /nfs/dbraw/zinc/92/31/12/671923112.db2.gz XFYLMPZWJKSBAZ-VXGBXAGGSA-N 1 0 348.407 -1.137 20 0 EAADRO COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001070451726 671923083 /nfs/dbraw/zinc/92/30/83/671923083.db2.gz BUGNXRUVNKUBKO-DMDPSCGWSA-N 1 0 349.391 -1.244 20 0 EAADRO COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001070451727 671923143 /nfs/dbraw/zinc/92/31/43/671923143.db2.gz BUGNXRUVNKUBKO-GMXVVIOVSA-N 1 0 349.391 -1.244 20 0 EAADRO CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001070453376 671923133 /nfs/dbraw/zinc/92/31/33/671923133.db2.gz MBDADDYWXYDZQY-WCQYABFASA-N 1 0 334.380 -1.124 20 0 EAADRO CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001070455037 671922956 /nfs/dbraw/zinc/92/29/56/671922956.db2.gz CBHSHWAITXPKQF-GXTWGEPZSA-N 1 0 348.407 -1.718 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnccn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070462480 671923641 /nfs/dbraw/zinc/92/36/41/671923641.db2.gz IFAZJKOPRPDMFK-GXFFZTMASA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070464973 671923516 /nfs/dbraw/zinc/92/35/16/671923516.db2.gz OXMUCAHYNMCCGK-GXTWGEPZSA-N 1 0 344.375 -1.263 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070465333 671923593 /nfs/dbraw/zinc/92/35/93/671923593.db2.gz WWWGEERPLTYHPA-CMPLNLGQSA-N 1 0 335.364 -1.322 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070465503 671923647 /nfs/dbraw/zinc/92/36/47/671923647.db2.gz ZQULAVSFKDNOIV-JOYOIKCWSA-N 1 0 345.363 -1.401 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070465802 671923615 /nfs/dbraw/zinc/92/36/15/671923615.db2.gz CVLSODGVACMZRU-WCQYABFASA-N 1 0 346.395 -1.529 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070465879 671923539 /nfs/dbraw/zinc/92/35/39/671923539.db2.gz HMGHYRWIEOURTM-GXSJLCMTSA-N 1 0 333.356 -2.524 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2[NH2+]CCO)c1 ZINC001070465906 671923590 /nfs/dbraw/zinc/92/35/90/671923590.db2.gz IWTSPXJYYYEKHE-GXTWGEPZSA-N 1 0 333.396 -1.022 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070465971 671923634 /nfs/dbraw/zinc/92/36/34/671923634.db2.gz MKEWUZYYSZVBOO-WCQYABFASA-N 1 0 331.380 -1.163 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cn(C)cn1 ZINC001070465988 671923623 /nfs/dbraw/zinc/92/36/23/671923623.db2.gz NMSUGMAPUALHTC-GMXVVIOVSA-N 1 0 334.384 -1.628 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cn(C)cn1 ZINC001070465989 671923480 /nfs/dbraw/zinc/92/34/80/671923480.db2.gz NMSUGMAPUALHTC-NTZNESFSSA-N 1 0 334.384 -1.628 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070465995 671923522 /nfs/dbraw/zinc/92/35/22/671923522.db2.gz NQVSZJZQOFQDCW-GXTWGEPZSA-N 1 0 335.408 -1.081 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070466077 671923627 /nfs/dbraw/zinc/92/36/27/671923627.db2.gz RUNCOVPYCGWWJN-JBLDHEPKSA-N 1 0 347.383 -2.135 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070466078 671923578 /nfs/dbraw/zinc/92/35/78/671923578.db2.gz RUNCOVPYCGWWJN-JFGNBEQYSA-N 1 0 347.383 -2.135 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070466199 671923536 /nfs/dbraw/zinc/92/35/36/671923536.db2.gz YOBFICSVLTVJJK-WCQYABFASA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070468886 671923551 /nfs/dbraw/zinc/92/35/51/671923551.db2.gz WSYHZPHKCUOWKQ-WCQYABFASA-N 1 0 331.380 -1.314 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070471240 671923524 /nfs/dbraw/zinc/92/35/24/671923524.db2.gz CTSWWHCEPDOCCV-CYZMBNFOSA-N 1 0 337.380 -1.795 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070471241 671923546 /nfs/dbraw/zinc/92/35/46/671923546.db2.gz CTSWWHCEPDOCCV-UHTWSYAYSA-N 1 0 337.380 -1.795 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnsn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070471364 671923599 /nfs/dbraw/zinc/92/35/99/671923599.db2.gz JEYRAUDBKPOJHR-GZMMTYOYSA-N 1 0 335.393 -1.045 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070472341 671923394 /nfs/dbraw/zinc/92/33/94/671923394.db2.gz BYURJWPXKAMNEO-GXSJLCMTSA-N 1 0 343.409 -2.166 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070472386 671923619 /nfs/dbraw/zinc/92/36/19/671923619.db2.gz FQXADYUOIXEOAG-GMXVVIOVSA-N 1 0 344.437 -1.271 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070472387 671923449 /nfs/dbraw/zinc/92/34/49/671923449.db2.gz FQXADYUOIXEOAG-NTZNESFSSA-N 1 0 344.437 -1.271 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnns3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070472729 671923508 /nfs/dbraw/zinc/92/35/08/671923508.db2.gz VRVVDYRKEQORGK-WCBMZHEXSA-N 1 0 335.393 -1.045 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2[NH2+]CCO)c1 ZINC001070473887 671923528 /nfs/dbraw/zinc/92/35/28/671923528.db2.gz XARJLUPBMDEJDT-CMPLNLGQSA-N 1 0 330.410 -1.659 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001070473917 671923560 /nfs/dbraw/zinc/92/35/60/671923560.db2.gz YFNWKIHCCNCZET-GXTWGEPZSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3cnn(C)c3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070475056 671923499 /nfs/dbraw/zinc/92/34/99/671923499.db2.gz BNWJSEDDOCSPOG-GXTWGEPZSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070475082 671923532 /nfs/dbraw/zinc/92/35/32/671923532.db2.gz CSMBEJAKUZSERK-CMPLNLGQSA-N 1 0 331.380 -1.163 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070475561 671923570 /nfs/dbraw/zinc/92/35/70/671923570.db2.gz VCLHNTKYBYOHFD-HOSYDEDBSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+]CCn2cncn2)c1 ZINC001070477563 671923939 /nfs/dbraw/zinc/92/39/39/671923939.db2.gz ICIBKRXRQSBMJG-WCQYABFASA-N 1 0 346.395 -1.529 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@@H]2CCCNC2=O)c1 ZINC001070477580 671924050 /nfs/dbraw/zinc/92/40/50/671924050.db2.gz IVIHJTMUSVFHLQ-DMDPSCGWSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@H]2CCCNC2=O)c1 ZINC001070477581 671923978 /nfs/dbraw/zinc/92/39/78/671923978.db2.gz IVIHJTMUSVFHLQ-GMXVVIOVSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+]CC(=O)N2CCC2)c1 ZINC001070477583 671924010 /nfs/dbraw/zinc/92/40/10/671924010.db2.gz JCHYRQDWGYLIEW-WCQYABFASA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2[NH2+]CCO)c1 ZINC001070477619 671924076 /nfs/dbraw/zinc/92/40/76/671924076.db2.gz KFMKVDLCCRRQKR-CMPLNLGQSA-N 1 0 331.380 -1.018 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2[NH2+]CCO)c1 ZINC001070477701 671923928 /nfs/dbraw/zinc/92/39/28/671923928.db2.gz NWDWVMWNBFGBLQ-CFVMTHIKSA-N 1 0 337.424 -1.373 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2[NH2+]CCO)c1 ZINC001070477702 671924083 /nfs/dbraw/zinc/92/40/83/671924083.db2.gz NWDWVMWNBFGBLQ-NWANDNLSSA-N 1 0 337.424 -1.373 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070477704 671924072 /nfs/dbraw/zinc/92/40/72/671924072.db2.gz NWSHOXDJFQGJEE-GXSJLCMTSA-N 1 0 344.379 -1.525 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+]Cc2cnnn2C)c1 ZINC001070477716 671923807 /nfs/dbraw/zinc/92/38/07/671923807.db2.gz OJFLMMBADRHSBS-WCQYABFASA-N 1 0 346.395 -1.492 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070477817 671924028 /nfs/dbraw/zinc/92/40/28/671924028.db2.gz UZYACVLNDWGKCO-HOSYDEDBSA-N 1 0 336.396 -1.557 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070477818 671924142 /nfs/dbraw/zinc/92/41/42/671924142.db2.gz UZYACVLNDWGKCO-JBLDHEPKSA-N 1 0 336.396 -1.557 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@@H]2CCN(C)C2=O)c1 ZINC001070477871 671923986 /nfs/dbraw/zinc/92/39/86/671923986.db2.gz XRYMOYURWFMBOE-DMDPSCGWSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@H]2CCN(C)C2=O)c1 ZINC001070477872 671924055 /nfs/dbraw/zinc/92/40/55/671924055.db2.gz XRYMOYURWFMBOE-GMXVVIOVSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@@H]2CCNC2=O)c1 ZINC001070477889 671924004 /nfs/dbraw/zinc/92/40/04/671924004.db2.gz YJARAZFCTCRZFL-HOSYDEDBSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@H]2CCNC2=O)c1 ZINC001070477890 671924154 /nfs/dbraw/zinc/92/41/54/671924154.db2.gz YJARAZFCTCRZFL-JBLDHEPKSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070478187 671924121 /nfs/dbraw/zinc/92/41/21/671924121.db2.gz NZWVHMOHZRTCSK-WCQYABFASA-N 1 0 331.380 -1.245 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)nnn1C ZINC001070478230 671924067 /nfs/dbraw/zinc/92/40/67/671924067.db2.gz QHGCOTLEICXXSL-CMPLNLGQSA-N 1 0 346.395 -1.460 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070480336 671923992 /nfs/dbraw/zinc/92/39/92/671923992.db2.gz DIDKYPRFXNLLPE-CMPLNLGQSA-N 1 0 346.395 -1.460 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070482748 671923965 /nfs/dbraw/zinc/92/39/65/671923965.db2.gz GKMUEXHOPALBFD-GMXVVIOVSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070482749 671924148 /nfs/dbraw/zinc/92/41/48/671924148.db2.gz GKMUEXHOPALBFD-NTZNESFSSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070482929 671923828 /nfs/dbraw/zinc/92/38/28/671923828.db2.gz OEQKBCPALZXUIH-MBNYWOFBSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070482930 671924046 /nfs/dbraw/zinc/92/40/46/671924046.db2.gz OEQKBCPALZXUIH-SGMGOOAPSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001070484031 671924616 /nfs/dbraw/zinc/92/46/16/671924616.db2.gz MUKMZBWJDVRCSX-CMPLNLGQSA-N 1 0 331.380 -1.163 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070484132 671924589 /nfs/dbraw/zinc/92/45/89/671924589.db2.gz SFRDJZNTICCEMR-DZGCQCFKSA-N 1 0 337.424 -1.371 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cn(C)cn1 ZINC001070484891 671924427 /nfs/dbraw/zinc/92/44/27/671924427.db2.gz BCGKCCJTUJCCCB-GMXVVIOVSA-N 1 0 349.395 -1.318 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cn(C)cn1 ZINC001070484892 671924466 /nfs/dbraw/zinc/92/44/66/671924466.db2.gz BCGKCCJTUJCCCB-NTZNESFSSA-N 1 0 349.395 -1.318 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070485015 671924542 /nfs/dbraw/zinc/92/45/42/671924542.db2.gz JCGSPXJBJPNLSN-GMXVVIOVSA-N 1 0 349.391 -1.257 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@H]3COC(=O)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070485016 671924436 /nfs/dbraw/zinc/92/44/36/671924436.db2.gz JCGSPXJBJPNLSN-NTZNESFSSA-N 1 0 349.391 -1.257 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070485018 671924486 /nfs/dbraw/zinc/92/44/86/671924486.db2.gz JCVXBYPFSNCFON-GXSJLCMTSA-N 1 0 348.367 -2.213 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1)n1cncn1 ZINC001070485089 671924593 /nfs/dbraw/zinc/92/45/93/671924593.db2.gz NSTJBKAXQUOWCF-GMXVVIOVSA-N 1 0 346.395 -1.358 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1)n1cncn1 ZINC001070485090 671924410 /nfs/dbraw/zinc/92/44/10/671924410.db2.gz NSTJBKAXQUOWCF-NTZNESFSSA-N 1 0 346.395 -1.358 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070485241 671924492 /nfs/dbraw/zinc/92/44/92/671924492.db2.gz VMUUKYCJBCEOAI-CMPLNLGQSA-N 1 0 335.368 -1.706 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2[NH2+]CCO)c1 ZINC001070485295 671924404 /nfs/dbraw/zinc/92/44/04/671924404.db2.gz YORAOWLEJSUZRK-CFVMTHIKSA-N 1 0 337.424 -1.373 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2[NH2+]CCO)c1 ZINC001070485296 671924432 /nfs/dbraw/zinc/92/44/32/671924432.db2.gz YORAOWLEJSUZRK-NWANDNLSSA-N 1 0 337.424 -1.373 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cncnc3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070486300 671924549 /nfs/dbraw/zinc/92/45/49/671924549.db2.gz GKFCPXJRBOOVAV-WCQYABFASA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070486466 671924624 /nfs/dbraw/zinc/92/46/24/671924624.db2.gz PQHNODUWUMSBEO-CMPLNLGQSA-N 1 0 346.395 -1.581 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2[NH2+]CCO)c1 ZINC001070486477 671924564 /nfs/dbraw/zinc/92/45/64/671924564.db2.gz QJGSQTURFRLHIX-WCQYABFASA-N 1 0 333.396 -1.074 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2[NH2+]CCO)c1 ZINC001070487258 671924547 /nfs/dbraw/zinc/92/45/47/671924547.db2.gz CBWUWUHCHHLBTC-CMPLNLGQSA-N 1 0 335.364 -1.098 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2[NH2+]CCO)c1 ZINC001070487266 671924556 /nfs/dbraw/zinc/92/45/56/671924556.db2.gz CQYDOEHMSHAOCG-GXTWGEPZSA-N 1 0 333.396 -1.022 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070487300 671924582 /nfs/dbraw/zinc/92/45/82/671924582.db2.gz DWZNWLHHHZLZEH-GXSJLCMTSA-N 1 0 348.363 -1.605 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070487317 671924421 /nfs/dbraw/zinc/92/44/21/671924421.db2.gz FODHCSZYJTVKSH-DZGCQCFKSA-N 1 0 335.408 -1.225 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001070487336 671924500 /nfs/dbraw/zinc/92/45/00/671924500.db2.gz GGTXQWPQKZNMLC-GXTWGEPZSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070487718 671924568 /nfs/dbraw/zinc/92/45/68/671924568.db2.gz PKMLIIFUYREFSI-WCQYABFASA-N 1 0 346.395 -1.529 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3cncnc3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070487802 671924604 /nfs/dbraw/zinc/92/46/04/671924604.db2.gz RMESWWRURPGAAP-GXTWGEPZSA-N 1 0 343.391 -1.178 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070488559 671925008 /nfs/dbraw/zinc/92/50/08/671925008.db2.gz AXYCIGVWHQMDLE-JBLDHEPKSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070488560 671925065 /nfs/dbraw/zinc/92/50/65/671925065.db2.gz AXYCIGVWHQMDLE-JFGNBEQYSA-N 1 0 346.395 -1.380 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3ccnn3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070488813 671925049 /nfs/dbraw/zinc/92/50/49/671925049.db2.gz JAEYZCZBPFRXNA-GXTWGEPZSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070488980 671924948 /nfs/dbraw/zinc/92/49/48/671924948.db2.gz MRTLIVTWHHXFBX-GXSJLCMTSA-N 1 0 332.368 -1.768 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070489330 671924929 /nfs/dbraw/zinc/92/49/29/671924929.db2.gz WYGFGSXJHLOCHG-JBLDHEPKSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070489331 671924960 /nfs/dbraw/zinc/92/49/60/671924960.db2.gz WYGFGSXJHLOCHG-JFGNBEQYSA-N 1 0 346.395 -1.380 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070489338 671924980 /nfs/dbraw/zinc/92/49/80/671924980.db2.gz XLYWRWBHHPXOEK-GDPRMGEGSA-N 1 0 336.352 -2.102 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070489439 671924938 /nfs/dbraw/zinc/92/49/38/671924938.db2.gz XLYWRWBHHPXOEK-JMJZKYOTSA-N 1 0 336.352 -2.102 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001070490562 671925072 /nfs/dbraw/zinc/92/50/72/671925072.db2.gz UUOVSGSBQBRHHH-GXFFZTMASA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070491252 671925002 /nfs/dbraw/zinc/92/50/02/671925002.db2.gz AFKVMHCMRICDOT-GXSJLCMTSA-N 1 0 332.368 -1.768 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070491278 671924954 /nfs/dbraw/zinc/92/49/54/671924954.db2.gz BKRFUCAZXRHLIY-JBLDHEPKSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070491279 671924969 /nfs/dbraw/zinc/92/49/69/671924969.db2.gz BKRFUCAZXRHLIY-JFGNBEQYSA-N 1 0 346.395 -1.380 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070491363 671924902 /nfs/dbraw/zinc/92/49/02/671924902.db2.gz HKJIYCPPVMGSMC-GXSJLCMTSA-N 1 0 332.368 -1.768 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070491435 671924895 /nfs/dbraw/zinc/92/48/95/671924895.db2.gz KVVLHMLZJDTRBO-CMPLNLGQSA-N 1 0 346.395 -1.285 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)o1 ZINC001070491488 671925090 /nfs/dbraw/zinc/92/50/90/671925090.db2.gz NKMBHWLAAZPBDD-CMPLNLGQSA-N 1 0 347.379 -1.276 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)[nH]1 ZINC001070491715 671924964 /nfs/dbraw/zinc/92/49/64/671924964.db2.gz AYXIHRFKZDDODA-CMPLNLGQSA-N 1 0 346.395 -1.541 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3ccn(C)n3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070491869 671924984 /nfs/dbraw/zinc/92/49/84/671924984.db2.gz JZQYJEGMUODRSL-GXTWGEPZSA-N 1 0 345.407 -1.234 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)[nH]1 ZINC001070491875 671924872 /nfs/dbraw/zinc/92/48/72/671924872.db2.gz KNDFCSANYJOABN-WCQYABFASA-N 1 0 333.396 -1.034 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cn(C)cn1 ZINC001070493167 671925029 /nfs/dbraw/zinc/92/50/29/671925029.db2.gz MSLJQLUMCKOBMH-GMXVVIOVSA-N 1 0 334.384 -1.628 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cn(C)cn1 ZINC001070493168 671925006 /nfs/dbraw/zinc/92/50/06/671925006.db2.gz MSLJQLUMCKOBMH-NTZNESFSSA-N 1 0 334.384 -1.628 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070493175 671924907 /nfs/dbraw/zinc/92/49/07/671924907.db2.gz MZRSNAYWJXEKIP-GXSJLCMTSA-N 1 0 333.356 -2.524 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070493284 671924881 /nfs/dbraw/zinc/92/48/81/671924881.db2.gz SAXPEJPNBLGBOL-JBLDHEPKSA-N 1 0 347.383 -2.135 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070493285 671925012 /nfs/dbraw/zinc/92/50/12/671925012.db2.gz SAXPEJPNBLGBOL-JFGNBEQYSA-N 1 0 347.383 -2.135 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1c1cn(C)cn1 ZINC001070494654 671925423 /nfs/dbraw/zinc/92/54/23/671925423.db2.gz BDPMZUWAMABSKC-CMPLNLGQSA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070495675 671925311 /nfs/dbraw/zinc/92/53/11/671925311.db2.gz KRGGYNWEXOBAJL-NLZNIHBBSA-N 1 0 333.392 -1.174 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001070495846 671925419 /nfs/dbraw/zinc/92/54/19/671925419.db2.gz QPXAZXKHOYMTLO-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070496586 671925350 /nfs/dbraw/zinc/92/53/50/671925350.db2.gz OZSCIQPLXNYKLF-WCQYABFASA-N 1 0 342.421 -1.659 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070497577 671925560 /nfs/dbraw/zinc/92/55/60/671925560.db2.gz IRDBSPMRZKUAOG-CMPLNLGQSA-N 1 0 332.368 -1.919 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1 ZINC001070497870 671925401 /nfs/dbraw/zinc/92/54/01/671925401.db2.gz QAFUNTMYTMEYQH-MBNYWOFBSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1 ZINC001070497871 671925397 /nfs/dbraw/zinc/92/53/97/671925397.db2.gz QAFUNTMYTMEYQH-SGMGOOAPSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070497959 671925405 /nfs/dbraw/zinc/92/54/05/671925405.db2.gz WCUAKPUIVSJLAO-GMXVVIOVSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070497960 671925372 /nfs/dbraw/zinc/92/53/72/671925372.db2.gz WCUAKPUIVSJLAO-NTZNESFSSA-N 1 0 346.395 -1.530 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070498505 671925533 /nfs/dbraw/zinc/92/55/33/671925533.db2.gz MEECGKYUUZRQSW-GMXVVIOVSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070498506 671925479 /nfs/dbraw/zinc/92/54/79/671925479.db2.gz MEECGKYUUZRQSW-NTZNESFSSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070498508 671925324 /nfs/dbraw/zinc/92/53/24/671925324.db2.gz MJJIRXWWGQIMFT-MBNYWOFBSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070498509 671925379 /nfs/dbraw/zinc/92/53/79/671925379.db2.gz MJJIRXWWGQIMFT-SGMGOOAPSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070500976 671925446 /nfs/dbraw/zinc/92/54/46/671925446.db2.gz RPBCESNHRXSMAK-MBNYWOFBSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070500977 671925328 /nfs/dbraw/zinc/92/53/28/671925328.db2.gz RPBCESNHRXSMAK-SGMGOOAPSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070500992 671925391 /nfs/dbraw/zinc/92/53/91/671925391.db2.gz RYEXNGLINCFOQU-GMXVVIOVSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070500993 671925394 /nfs/dbraw/zinc/92/53/94/671925394.db2.gz RYEXNGLINCFOQU-NTZNESFSSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2[NH2+]CCO)c1 ZINC001070502251 671925843 /nfs/dbraw/zinc/92/58/43/671925843.db2.gz FDHXEHVFVULABM-SMDDNHRTSA-N 1 0 346.391 -1.296 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1c1cn(C)cn1 ZINC001070502297 671926028 /nfs/dbraw/zinc/92/60/28/671926028.db2.gz HZKBXFLIBGZCBV-JBLDHEPKSA-N 1 0 334.380 -1.078 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070503462 671926022 /nfs/dbraw/zinc/92/60/22/671926022.db2.gz BMKAOCYKRVWFOS-GXSJLCMTSA-N 1 0 347.379 -1.160 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070503490 671925897 /nfs/dbraw/zinc/92/58/97/671925897.db2.gz BYMBCAIBGXRKHX-GXSJLCMTSA-N 1 0 336.396 -1.699 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070503550 671925990 /nfs/dbraw/zinc/92/59/90/671925990.db2.gz CUQYSEDEZQMONH-CMPLNLGQSA-N 1 0 345.363 -1.401 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070503551 671925853 /nfs/dbraw/zinc/92/58/53/671925853.db2.gz CVBKDBJSVCSVPM-DMDPSCGWSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070503746 671925964 /nfs/dbraw/zinc/92/59/64/671925964.db2.gz ISTXAIRIFSDAID-MBNYWOFBSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070503747 671925927 /nfs/dbraw/zinc/92/59/27/671925927.db2.gz ISTXAIRIFSDAID-SGMGOOAPSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2[NH2+]CCO)c1 ZINC001070503827 671926001 /nfs/dbraw/zinc/92/60/01/671926001.db2.gz MWMRCZSDKUEKEL-OUCADQQQSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070503903 671926077 /nfs/dbraw/zinc/92/60/77/671926077.db2.gz RAPKAPXKZZKXIK-GMXVVIOVSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070503904 671926034 /nfs/dbraw/zinc/92/60/34/671926034.db2.gz RAPKAPXKZZKXIK-NTZNESFSSA-N 1 0 348.407 -1.684 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)S(C)(=O)=O ZINC001070504169 671925911 /nfs/dbraw/zinc/92/59/11/671925911.db2.gz GWOYBYJPVZESCF-GMXVVIOVSA-N 1 0 344.437 -1.271 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)S(C)(=O)=O ZINC001070504170 671925830 /nfs/dbraw/zinc/92/58/30/671925830.db2.gz GWOYBYJPVZESCF-NTZNESFSSA-N 1 0 344.437 -1.271 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070504342 671925942 /nfs/dbraw/zinc/92/59/42/671925942.db2.gz QCXFYXLPHGLJEJ-CMPLNLGQSA-N 1 0 345.363 -1.401 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1c1cn(C)cn1 ZINC001070507578 671925884 /nfs/dbraw/zinc/92/58/84/671925884.db2.gz DBGGSEYCJYSTLF-WCQYABFASA-N 1 0 333.396 -1.081 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2[NH2+]CCO)c1 ZINC001070507679 671925976 /nfs/dbraw/zinc/92/59/76/671925976.db2.gz JQYUWEXKLRVSKN-MBNYWOFBSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2[NH2+]CCO)c1 ZINC001070507680 671925846 /nfs/dbraw/zinc/92/58/46/671925846.db2.gz JQYUWEXKLRVSKN-SGMGOOAPSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070507751 671925953 /nfs/dbraw/zinc/92/59/53/671925953.db2.gz MZHAOLNVVQBKFS-WCQYABFASA-N 1 0 349.395 -2.108 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070507901 671926005 /nfs/dbraw/zinc/92/60/05/671926005.db2.gz UPKHSDPAMSTLHY-GMXVVIOVSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070507902 671925803 /nfs/dbraw/zinc/92/58/03/671925803.db2.gz UPKHSDPAMSTLHY-NTZNESFSSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2[NH2+][C@@H]2CCNC2=O)c1 ZINC001070508323 671925936 /nfs/dbraw/zinc/92/59/36/671925936.db2.gz BXMSFYSVVHUIND-OPQQBVKSSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2[NH2+][C@H]2CCNC2=O)c1 ZINC001070508324 671926048 /nfs/dbraw/zinc/92/60/48/671926048.db2.gz BXMSFYSVVHUIND-OUJBWJOFSA-N 1 0 344.379 -1.376 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070508861 671925808 /nfs/dbraw/zinc/92/58/08/671925808.db2.gz QVFAEZWTWLMKMW-HOTUBEGUSA-N 1 0 332.368 -1.390 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070508862 671925969 /nfs/dbraw/zinc/92/59/69/671925969.db2.gz QVFAEZWTWLMKMW-VDDIYKPWSA-N 1 0 332.368 -1.390 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070509232 671926042 /nfs/dbraw/zinc/92/60/42/671926042.db2.gz ZXISFVSWQQXWPX-OPQQBVKSSA-N 1 0 346.395 -1.000 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070509233 671925864 /nfs/dbraw/zinc/92/58/64/671925864.db2.gz ZXISFVSWQQXWPX-OUJBWJOFSA-N 1 0 346.395 -1.000 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cncn3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070509815 671925839 /nfs/dbraw/zinc/92/58/39/671925839.db2.gz IWTMBUWHLBGADF-CMPLNLGQSA-N 1 0 331.380 -1.163 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070513426 671925790 /nfs/dbraw/zinc/92/57/90/671925790.db2.gz NHSAFFXMZROIBH-GXTWGEPZSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2[NH2+]CCO)c1 ZINC001070515465 671925874 /nfs/dbraw/zinc/92/58/74/671925874.db2.gz KLKFLZKRXFPXMH-WCQYABFASA-N 1 0 346.391 -1.296 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070515884 671925877 /nfs/dbraw/zinc/92/58/77/671925877.db2.gz XOPQWRNYCOSYBC-IETSOEAISA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070515885 671925820 /nfs/dbraw/zinc/92/58/20/671925820.db2.gz XOPQWRNYCOSYBC-KANYHAFZSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070515904 671925859 /nfs/dbraw/zinc/92/58/59/671925859.db2.gz YLFXLYNJJKJSNF-GHJWDPDVSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070515905 671925906 /nfs/dbraw/zinc/92/59/06/671925906.db2.gz YLFXLYNJJKJSNF-NORZTCDRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3csnn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070518159 671925800 /nfs/dbraw/zinc/92/58/00/671925800.db2.gz KRZWMMGDSUQNNX-WCBMZHEXSA-N 1 0 335.393 -1.045 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070520794 671926084 /nfs/dbraw/zinc/92/60/84/671926084.db2.gz HVNJBCAPYIKVHB-GXSJLCMTSA-N 1 0 332.368 -1.470 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070520831 671925947 /nfs/dbraw/zinc/92/59/47/671925947.db2.gz JKJNJFDMSNLPRI-JBLDHEPKSA-N 1 0 334.380 -2.075 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070520832 671925889 /nfs/dbraw/zinc/92/58/89/671925889.db2.gz JKJNJFDMSNLPRI-JFGNBEQYSA-N 1 0 334.380 -2.075 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001070521051 671926052 /nfs/dbraw/zinc/92/60/52/671926052.db2.gz SRLCFGIBFNIBQG-JBLDHEPKSA-N 1 0 346.395 -1.082 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001070521052 671925917 /nfs/dbraw/zinc/92/59/17/671925917.db2.gz SRLCFGIBFNIBQG-JFGNBEQYSA-N 1 0 346.395 -1.082 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CCO)c1 ZINC001070521393 671926586 /nfs/dbraw/zinc/92/65/86/671926586.db2.gz GPGDZYCLHJOCSS-CYZMBNFOSA-N 1 0 336.396 -1.680 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CCO)c1 ZINC001070521394 671926522 /nfs/dbraw/zinc/92/65/22/671926522.db2.gz GPGDZYCLHJOCSS-UHTWSYAYSA-N 1 0 336.396 -1.680 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070521649 671926498 /nfs/dbraw/zinc/92/64/98/671926498.db2.gz OOZRUUYSTIKBKO-GXTWGEPZSA-N 1 0 334.424 -1.244 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070521783 671926556 /nfs/dbraw/zinc/92/65/56/671926556.db2.gz SOGGGOVSTMCAKI-UHTWSYAYSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070521906 671926418 /nfs/dbraw/zinc/92/64/18/671926418.db2.gz YGBHFTAJSBJTCO-MVWJERBFSA-N 1 0 349.395 -2.187 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070521907 671926428 /nfs/dbraw/zinc/92/64/28/671926428.db2.gz YGBHFTAJSBJTCO-WCQGTBRESA-N 1 0 349.395 -2.187 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3c[nH]c(=O)n3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070521922 671926402 /nfs/dbraw/zinc/92/64/02/671926402.db2.gz ZHRXAODAMXZXJR-GXSJLCMTSA-N 1 0 347.379 -1.458 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070522634 671926271 /nfs/dbraw/zinc/92/62/71/671926271.db2.gz JVLPRGLMUIQUKZ-GMXVVIOVSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070522635 671926480 /nfs/dbraw/zinc/92/64/80/671926480.db2.gz JVLPRGLMUIQUKZ-NTZNESFSSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070522768 671926508 /nfs/dbraw/zinc/92/65/08/671926508.db2.gz PRURSKMBVMFLIN-MBNYWOFBSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070522769 671926486 /nfs/dbraw/zinc/92/64/86/671926486.db2.gz PRURSKMBVMFLIN-SGMGOOAPSA-N 1 0 335.408 -1.225 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cn(C)cn1 ZINC001070524762 671926517 /nfs/dbraw/zinc/92/65/17/671926517.db2.gz ACIGEFBLHHNUOO-JBLDHEPKSA-N 1 0 334.384 -1.478 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cn(C)cn1 ZINC001070524763 671926264 /nfs/dbraw/zinc/92/62/64/671926264.db2.gz ACIGEFBLHHNUOO-JFGNBEQYSA-N 1 0 334.384 -1.478 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070524817 671926583 /nfs/dbraw/zinc/92/65/83/671926583.db2.gz DEUJJSXAZMJDMO-ATZCPNFKSA-N 1 0 347.383 -1.985 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070524818 671926248 /nfs/dbraw/zinc/92/62/48/671926248.db2.gz DEUJJSXAZMJDMO-WCABBAIRSA-N 1 0 347.383 -1.985 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070524988 671926587 /nfs/dbraw/zinc/92/65/87/671926587.db2.gz NOWBVKDVBZEMSE-CTFUPSTPSA-N 1 0 333.392 -1.318 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2[NH2+]CCO)c1 ZINC001070525089 671926376 /nfs/dbraw/zinc/92/63/76/671926376.db2.gz UVMRXNUQSYRTBS-YUTCNCBUSA-N 1 0 335.408 -1.083 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070525175 671926385 /nfs/dbraw/zinc/92/63/85/671926385.db2.gz YVZYHEZUZCSCDD-WCBMZHEXSA-N 1 0 333.356 -2.373 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070526084 671926488 /nfs/dbraw/zinc/92/64/88/671926488.db2.gz OVBOOFFCPOAQHD-JVLSTEMRSA-N 1 0 339.371 -1.082 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070526085 671926280 /nfs/dbraw/zinc/92/62/80/671926280.db2.gz OVBOOFFCPOAQHD-NVBFEUDRSA-N 1 0 339.371 -1.082 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070526140 671926511 /nfs/dbraw/zinc/92/65/11/671926511.db2.gz SOGGGOVSTMCAKI-CYZMBNFOSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2[NH2+]CCO)c1 ZINC001070526167 671926567 /nfs/dbraw/zinc/92/65/67/671926567.db2.gz UVMRXNUQSYRTBS-IACUBPJLSA-N 1 0 335.408 -1.083 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2[NH2+]CCO)c1 ZINC001070526334 671926519 /nfs/dbraw/zinc/92/65/19/671926519.db2.gz DVDUQHJRXUZLCP-GXFFZTMASA-N 1 0 332.364 -1.307 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070526397 671926570 /nfs/dbraw/zinc/92/65/70/671926570.db2.gz HMJNWWVWDMBXME-JOYOIKCWSA-N 1 0 345.363 -1.814 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070527830 671926543 /nfs/dbraw/zinc/92/65/43/671926543.db2.gz HCHDFIFEBXMXOP-WCQYABFASA-N 1 0 331.380 -1.277 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070527833 671926324 /nfs/dbraw/zinc/92/63/24/671926324.db2.gz HFFXKCQXLHBRSX-WCQYABFASA-N 1 0 331.380 -1.277 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070527886 671926397 /nfs/dbraw/zinc/92/63/97/671926397.db2.gz KFQICWJFAMWMSL-WCQYABFASA-N 1 0 346.395 -1.399 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070527907 671926333 /nfs/dbraw/zinc/92/63/33/671926333.db2.gz LBZNBCOKFYKLHW-ATZCPNFKSA-N 1 0 335.368 -2.529 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070527908 671926464 /nfs/dbraw/zinc/92/64/64/671926464.db2.gz LBZNBCOKFYKLHW-IQJOONFLSA-N 1 0 335.368 -2.529 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070527939 671926313 /nfs/dbraw/zinc/92/63/13/671926313.db2.gz MVYFZQLHSVKJNL-JBLDHEPKSA-N 1 0 348.407 -1.557 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070527940 671926438 /nfs/dbraw/zinc/92/64/38/671926438.db2.gz MVYFZQLHSVKJNL-JFGNBEQYSA-N 1 0 348.407 -1.557 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070527958 671926592 /nfs/dbraw/zinc/92/65/92/671926592.db2.gz NTTRSBBMSKOMSA-WCQYABFASA-N 1 0 331.380 -1.277 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CC(=O)N2CCCC2)c1 ZINC001070528086 671926412 /nfs/dbraw/zinc/92/64/12/671926412.db2.gz UCLXRWKKDANIQD-WCQYABFASA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CC(=O)N2CCC2)c1 ZINC001070528098 671926455 /nfs/dbraw/zinc/92/64/55/671926455.db2.gz VBXHKMOZSOQJJM-CMPLNLGQSA-N 1 0 334.380 -1.978 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]Cc2cnnn2C)c1 ZINC001070528160 671926549 /nfs/dbraw/zinc/92/65/49/671926549.db2.gz YGMVJFBWGPVOIO-CMPLNLGQSA-N 1 0 332.368 -1.882 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCN2CCCC2=O)c1 ZINC001070529225 671927078 /nfs/dbraw/zinc/92/70/78/671927078.db2.gz BYOSNTARXUOJRI-WCQYABFASA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070529262 671927004 /nfs/dbraw/zinc/92/70/04/671927004.db2.gz FHLGVPXCMRBOER-GXSJLCMTSA-N 1 0 334.380 -1.945 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cn(C)cn1 ZINC001070529340 671927086 /nfs/dbraw/zinc/92/70/86/671927086.db2.gz JMGFZWIWSBXETM-GMXVVIOVSA-N 1 0 335.408 -1.050 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cn(C)cn1 ZINC001070529341 671926797 /nfs/dbraw/zinc/92/67/97/671926797.db2.gz JMGFZWIWSBXETM-NTZNESFSSA-N 1 0 335.408 -1.050 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070529428 671926943 /nfs/dbraw/zinc/92/69/43/671926943.db2.gz OAHMBNBOCBOGDD-WCQYABFASA-N 1 0 331.380 -1.314 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001070529439 671926850 /nfs/dbraw/zinc/92/68/50/671926850.db2.gz OQORNNBXHLBYFC-ATZCPNFKSA-N 1 0 348.363 -2.405 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001070529440 671927009 /nfs/dbraw/zinc/92/70/09/671927009.db2.gz OQORNNBXHLBYFC-IQJOONFLSA-N 1 0 348.363 -2.405 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCn2cncn2)c1 ZINC001070529456 671926954 /nfs/dbraw/zinc/92/69/54/671926954.db2.gz PLJDHPNZGIYCGF-CMPLNLGQSA-N 1 0 332.368 -1.919 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCc2ccnn2C)c1 ZINC001070529473 671927028 /nfs/dbraw/zinc/92/70/28/671927028.db2.gz QJJMCEMYGJXCJH-GXTWGEPZSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCN(C)C2=O)c1 ZINC001070529477 671926936 /nfs/dbraw/zinc/92/69/36/671926936.db2.gz QPLKMDXXFVMQGM-HOSYDEDBSA-N 1 0 334.380 -1.980 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCN(C)C2=O)c1 ZINC001070529478 671926782 /nfs/dbraw/zinc/92/67/82/671926782.db2.gz QPLKMDXXFVMQGM-JBLDHEPKSA-N 1 0 334.380 -1.980 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCN2CCNC2=O)c1 ZINC001070529502 671927037 /nfs/dbraw/zinc/92/70/37/671927037.db2.gz RUARQVQVGHRHRS-CMPLNLGQSA-N 1 0 349.395 -2.185 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cn(C)cn2)C1=O ZINC001070529524 671927022 /nfs/dbraw/zinc/92/70/22/671927022.db2.gz SZAWMIGCAKANDL-DMDPSCGWSA-N 1 0 348.407 -1.590 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cn(C)cn2)C1=O ZINC001070529525 671926740 /nfs/dbraw/zinc/92/67/40/671926740.db2.gz SZAWMIGCAKANDL-GMXVVIOVSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC001070529607 671927045 /nfs/dbraw/zinc/92/70/45/671927045.db2.gz XWDBPQSVLVWSQP-DMDPSCGWSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC001070529608 671927031 /nfs/dbraw/zinc/92/70/31/671927031.db2.gz XWDBPQSVLVWSQP-GMXVVIOVSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCc2cnn(C)c2)c1 ZINC001070529626 671927042 /nfs/dbraw/zinc/92/70/42/671927042.db2.gz YSZJJXPPJLCMFU-GXTWGEPZSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCCNC2=O)c1 ZINC001070529657 671926915 /nfs/dbraw/zinc/92/69/15/671926915.db2.gz ZZOVPJZXDXOQFJ-HOSYDEDBSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCCNC2=O)c1 ZINC001070529658 671926787 /nfs/dbraw/zinc/92/67/87/671926787.db2.gz ZZOVPJZXDXOQFJ-JBLDHEPKSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070529765 671926839 /nfs/dbraw/zinc/92/68/39/671926839.db2.gz FSMNQJKNFCLLEZ-IETSOEAISA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070529914 671926896 /nfs/dbraw/zinc/92/68/96/671926896.db2.gz JAFZLGDPZCINSH-GXSJLCMTSA-N 1 0 347.379 -1.458 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2[NH2+]CCO)c1 ZINC001070531375 671926920 /nfs/dbraw/zinc/92/69/20/671926920.db2.gz UQODWARBHOBISY-GHJWDPDVSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070531378 671926856 /nfs/dbraw/zinc/92/68/56/671926856.db2.gz URPSZLLFHSSMDG-GZMMTYOYSA-N 1 0 335.343 -1.035 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070533477 671926749 /nfs/dbraw/zinc/92/67/49/671926749.db2.gz AKIIHXVYZZWUAN-IETSOEAISA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070533478 671926976 /nfs/dbraw/zinc/92/69/76/671926976.db2.gz AKIIHXVYZZWUAN-KANYHAFZSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070533685 671926844 /nfs/dbraw/zinc/92/68/44/671926844.db2.gz LEYRGYLTFBYHDH-GHJWDPDVSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070533686 671926989 /nfs/dbraw/zinc/92/69/89/671926989.db2.gz LEYRGYLTFBYHDH-NORZTCDRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070534866 671926832 /nfs/dbraw/zinc/92/68/32/671926832.db2.gz RHJVJYIXGWIHAQ-FYLLDIAZSA-N 1 0 334.380 -2.089 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070535739 671926873 /nfs/dbraw/zinc/92/68/73/671926873.db2.gz IYUTYAIGUQOGLJ-WCQYABFASA-N 1 0 346.395 -1.460 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001070535923 671927051 /nfs/dbraw/zinc/92/70/51/671927051.db2.gz UOWOCBFANRAECH-GXTWGEPZSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070539355 671926923 /nfs/dbraw/zinc/92/69/23/671926923.db2.gz GUBJXCORQSEFCF-WCQYABFASA-N 1 0 329.364 -1.107 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001070540737 671926710 /nfs/dbraw/zinc/92/67/10/671926710.db2.gz GWSSHNBXCFWZKH-JBLDHEPKSA-N 1 0 334.380 -1.078 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070540996 671926961 /nfs/dbraw/zinc/92/69/61/671926961.db2.gz MWFGNYMREMEKII-WCQYABFASA-N 1 0 331.380 -1.245 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070541832 671926754 /nfs/dbraw/zinc/92/67/54/671926754.db2.gz GDKRSPSTVVWUTR-GXTWGEPZSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2[NH2+]CCO)c1 ZINC001070545360 671927341 /nfs/dbraw/zinc/92/73/41/671927341.db2.gz PRQYUXZNZPLUEQ-MBNYWOFBSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2[NH2+]CCO)c1 ZINC001070545361 671927254 /nfs/dbraw/zinc/92/72/54/671927254.db2.gz PRQYUXZNZPLUEQ-SGMGOOAPSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070545422 671927479 /nfs/dbraw/zinc/92/74/79/671927479.db2.gz USWDZTJXSJSIQG-GMXVVIOVSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070545423 671927567 /nfs/dbraw/zinc/92/75/67/671927567.db2.gz USWDZTJXSJSIQG-NTZNESFSSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070545453 671927592 /nfs/dbraw/zinc/92/75/92/671927592.db2.gz WCXZMLANUZXJOD-WCQYABFASA-N 1 0 349.391 -1.651 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070546790 671927497 /nfs/dbraw/zinc/92/74/97/671927497.db2.gz KJAFGMLGPLKIAS-HOSYDEDBSA-N 1 0 346.395 -1.000 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070546791 671927585 /nfs/dbraw/zinc/92/75/85/671927585.db2.gz KJAFGMLGPLKIAS-JBLDHEPKSA-N 1 0 346.395 -1.000 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1c1cn(C)cn1 ZINC001070546947 671927390 /nfs/dbraw/zinc/92/73/90/671927390.db2.gz NUOAEIYNEYOTMP-CMPLNLGQSA-N 1 0 334.380 -1.124 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070547117 671927345 /nfs/dbraw/zinc/92/73/45/671927345.db2.gz RGOXPKXTXZKNFQ-GBIKHYSHSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070547118 671927549 /nfs/dbraw/zinc/92/75/49/671927549.db2.gz RGOXPKXTXZKNFQ-OUJBWJOFSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070547187 671927304 /nfs/dbraw/zinc/92/73/04/671927304.db2.gz VGSJWJAMFZSMQR-ATZCPNFKSA-N 1 0 332.368 -1.390 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070547188 671927504 /nfs/dbraw/zinc/92/75/04/671927504.db2.gz VGSJWJAMFZSMQR-WCABBAIRSA-N 1 0 332.368 -1.390 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070547343 671927373 /nfs/dbraw/zinc/92/73/73/671927373.db2.gz YFHGBIMEMNTFDP-JOYOIKCWSA-N 1 0 332.368 -1.768 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3ccncn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070547647 671927404 /nfs/dbraw/zinc/92/74/04/671927404.db2.gz CIUDTNZACLHUCF-GXFFZTMASA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2[NH2+][C@@H]2CCNC2=O)c1 ZINC001070547833 671927295 /nfs/dbraw/zinc/92/72/95/671927295.db2.gz MHNPUYAIWLAILD-HOSYDEDBSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2[NH2+][C@H]2CCNC2=O)c1 ZINC001070547834 671927561 /nfs/dbraw/zinc/92/75/61/671927561.db2.gz MHNPUYAIWLAILD-JBLDHEPKSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3ncccn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070548013 671927256 /nfs/dbraw/zinc/92/72/56/671927256.db2.gz XTQGOWBKSNYCTP-CMPLNLGQSA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnon3)C[C@H]2[NH2+][C@@H]2CCNC2=O)c1 ZINC001070548977 671927597 /nfs/dbraw/zinc/92/75/97/671927597.db2.gz DHMKIUBXGKDCBB-OPQQBVKSSA-N 1 0 345.363 -1.111 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cnon3)C[C@H]2[NH2+][C@H]2CCNC2=O)c1 ZINC001070548978 671927355 /nfs/dbraw/zinc/92/73/55/671927355.db2.gz DHMKIUBXGKDCBB-OUJBWJOFSA-N 1 0 345.363 -1.111 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]2[NH2+]CCO)c1 ZINC001070548993 671927463 /nfs/dbraw/zinc/92/74/63/671927463.db2.gz FBIWOENOYSXPEK-WCQYABFASA-N 1 0 334.384 -1.627 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070549048 671927311 /nfs/dbraw/zinc/92/73/11/671927311.db2.gz ICPOCDAUJNGIOV-HOTUBEGUSA-N 1 0 333.352 -1.125 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070549049 671927377 /nfs/dbraw/zinc/92/73/77/671927377.db2.gz ICPOCDAUJNGIOV-VDDIYKPWSA-N 1 0 333.352 -1.125 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3cccnn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070549115 671927438 /nfs/dbraw/zinc/92/74/38/671927438.db2.gz LFELNWZZLCOFNO-GXFFZTMASA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070549625 671927424 /nfs/dbraw/zinc/92/74/24/671927424.db2.gz OJGXDSZNWOFEHR-CMPLNLGQSA-N 1 0 331.380 -1.245 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1cn(C)cn1 ZINC001070549776 671927575 /nfs/dbraw/zinc/92/75/75/671927575.db2.gz QKQFXARCXNXGEO-MBNYWOFBSA-N 1 0 348.411 -1.238 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1cn(C)cn1 ZINC001070549777 671927547 /nfs/dbraw/zinc/92/75/47/671927547.db2.gz QKQFXARCXNXGEO-SGMGOOAPSA-N 1 0 348.411 -1.238 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070549986 671928045 /nfs/dbraw/zinc/92/80/45/671928045.db2.gz XEBUMLXVQQDOLJ-CMPLNLGQSA-N 1 0 347.383 -2.134 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001070550557 671927847 /nfs/dbraw/zinc/92/78/47/671927847.db2.gz XMVFGDCQDNQIQZ-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070551046 671928029 /nfs/dbraw/zinc/92/80/29/671928029.db2.gz YCDMKFMPGRRHNE-GXFFZTMASA-N 1 0 347.379 -1.276 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001070551074 671927997 /nfs/dbraw/zinc/92/79/97/671927997.db2.gz ZSZUKLJNPVXAFZ-CMPLNLGQSA-N 1 0 346.395 -1.285 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070552653 671927883 /nfs/dbraw/zinc/92/78/83/671927883.db2.gz CNAHXONAPHYTOW-JBLDHEPKSA-N 1 0 346.395 -1.461 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070552654 671927934 /nfs/dbraw/zinc/92/79/34/671927934.db2.gz CNAHXONAPHYTOW-JFGNBEQYSA-N 1 0 346.395 -1.461 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070552997 671927861 /nfs/dbraw/zinc/92/78/61/671927861.db2.gz UEIOUVBWHWGXHG-GXSJLCMTSA-N 1 0 332.368 -1.850 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070553692 671927899 /nfs/dbraw/zinc/92/78/99/671927899.db2.gz AQMKZTQLXOZENW-GXTWGEPZSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070555819 671927825 /nfs/dbraw/zinc/92/78/25/671927825.db2.gz VCLHNTKYBYOHFD-JBLDHEPKSA-N 1 0 334.380 -1.932 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070556373 671927913 /nfs/dbraw/zinc/92/79/13/671927913.db2.gz HRWIAIQHLZHLCE-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070556374 671928070 /nfs/dbraw/zinc/92/80/70/671928070.db2.gz HRWIAIQHLZHLCE-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070560621 671928488 /nfs/dbraw/zinc/92/84/88/671928488.db2.gz PTVTZRWGFYCGSO-CMPLNLGQSA-N 1 0 332.368 -1.919 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2[NH2+]CCO)c1 ZINC001070560788 671928633 /nfs/dbraw/zinc/92/86/33/671928633.db2.gz TXXFCUWVKRTEBX-SMDDNHRTSA-N 1 0 346.391 -1.296 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1 ZINC001070560872 671928525 /nfs/dbraw/zinc/92/85/25/671928525.db2.gz VZRWYFKGGNCBBX-MBNYWOFBSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1 ZINC001070560873 671928591 /nfs/dbraw/zinc/92/85/91/671928591.db2.gz VZRWYFKGGNCBBX-SGMGOOAPSA-N 1 0 333.396 -1.023 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1cn(C)cn1 ZINC001070560972 671928318 /nfs/dbraw/zinc/92/83/18/671928318.db2.gz YHELQIZCUMMQQW-CMPLNLGQSA-N 1 0 334.380 -1.124 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070560988 671928404 /nfs/dbraw/zinc/92/84/04/671928404.db2.gz YZZQXTPFEZFHBB-GMXVVIOVSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070560989 671928507 /nfs/dbraw/zinc/92/85/07/671928507.db2.gz YZZQXTPFEZFHBB-NTZNESFSSA-N 1 0 346.395 -1.530 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070562495 671928530 /nfs/dbraw/zinc/92/85/30/671928530.db2.gz VJRHPOKLPQHNCV-WCQYABFASA-N 1 0 349.391 -1.555 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070563456 671928576 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333.352 -1.205 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070572475 671928389 /nfs/dbraw/zinc/92/83/89/671928389.db2.gz AEERQTTVTZLRQQ-GMXVVIOVSA-N 1 0 349.391 -1.651 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2[NH2+]CCO)c1 ZINC001070572478 671928474 /nfs/dbraw/zinc/92/84/74/671928474.db2.gz AEERQTTVTZLRQQ-NTZNESFSSA-N 1 0 349.391 -1.651 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001070575067 671929045 /nfs/dbraw/zinc/92/90/45/671929045.db2.gz IFOPHXLAFJSYHW-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001070575068 671928931 /nfs/dbraw/zinc/92/89/31/671928931.db2.gz IFOPHXLAFJSYHW-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CNC(=O)N3)n2)O1 ZINC001070575986 671929134 /nfs/dbraw/zinc/92/91/34/671929134.db2.gz YVARMCRIPGFJQW-IVZWLZJFSA-N 1 0 337.384 -1.068 20 0 EAADRO 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Cn1cncc1[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001070636988 671937337 /nfs/dbraw/zinc/93/73/37/671937337.db2.gz TZFQVHAJDCTAHP-GHMZBOCLSA-N 1 0 346.395 -1.460 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]CCO ZINC001070638958 671937435 /nfs/dbraw/zinc/93/74/35/671937435.db2.gz LHISASDDOUGMFT-JHJVBQTASA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]CCO ZINC001070638959 671937676 /nfs/dbraw/zinc/93/76/76/671937676.db2.gz LHISASDDOUGMFT-YNEHKIRRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070639073 671937735 /nfs/dbraw/zinc/93/77/35/671937735.db2.gz RGWHTQQLXLIAMC-IJLUTSLNSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070639074 671937800 /nfs/dbraw/zinc/93/78/00/671937800.db2.gz RGWHTQQLXLIAMC-QJPTWQEYSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]CCO ZINC001070639958 671937628 /nfs/dbraw/zinc/93/76/28/671937628.db2.gz JRHXNDCMZXHHLP-ZIAGYGMSSA-N 1 0 337.424 -1.371 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070640123 671937666 /nfs/dbraw/zinc/93/76/66/671937666.db2.gz RMOIXDDTXJDEEK-IJLUTSLNSA-N 1 0 349.391 -1.257 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070640124 671937703 /nfs/dbraw/zinc/93/77/03/671937703.db2.gz RMOIXDDTXJDEEK-QJPTWQEYSA-N 1 0 349.391 -1.257 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001070640173 671937834 /nfs/dbraw/zinc/93/78/34/671937834.db2.gz VVMTXSJVPRBHTA-GHMZBOCLSA-N 1 0 331.380 -1.163 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]CC(N)=O ZINC001070640994 671938277 /nfs/dbraw/zinc/93/82/77/671938277.db2.gz KKZMOQDZSZZASE-GHMZBOCLSA-N 1 0 346.395 -1.581 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]CCO ZINC001070641016 671938217 /nfs/dbraw/zinc/93/82/17/671938217.db2.gz LNTIKCYXTWQEFH-GHMZBOCLSA-N 1 0 335.364 -1.098 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070641025 671938206 /nfs/dbraw/zinc/93/82/06/671938206.db2.gz LXUWSGRRKOGWGE-NXEZZACHSA-N 1 0 348.367 -2.213 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1)n1cncn1 ZINC001070641065 671938240 /nfs/dbraw/zinc/93/82/40/671938240.db2.gz OEMOKTXLYAHEQV-IJLUTSLNSA-N 1 0 346.395 -1.358 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1)n1cncn1 ZINC001070641066 671938287 /nfs/dbraw/zinc/93/82/87/671938287.db2.gz OEMOKTXLYAHEQV-QJPTWQEYSA-N 1 0 346.395 -1.358 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cncn1C ZINC001070641096 671938159 /nfs/dbraw/zinc/93/81/59/671938159.db2.gz QOOUYKGUXBDUFL-IJLUTSLNSA-N 1 0 349.395 -1.318 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cncn1C ZINC001070641097 671938293 /nfs/dbraw/zinc/93/82/93/671938293.db2.gz QOOUYKGUXBDUFL-QJPTWQEYSA-N 1 0 349.395 -1.318 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]CC(N)=O ZINC001070641122 671938264 /nfs/dbraw/zinc/93/82/64/671938264.db2.gz SNBIWMJCAHPYAR-NXEZZACHSA-N 1 0 348.363 -1.605 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]CCO ZINC001070641153 671938310 /nfs/dbraw/zinc/93/83/10/671938310.db2.gz VPOXNZUBYSKZMJ-GHMZBOCLSA-N 1 0 335.368 -1.706 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1[NH2+]CCO ZINC001070641179 671938220 /nfs/dbraw/zinc/93/82/20/671938220.db2.gz XDNRNEWPJVFUJI-NFAWXSAZSA-N 1 0 337.424 -1.373 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1[NH2+]CCO ZINC001070641180 671938232 /nfs/dbraw/zinc/93/82/32/671938232.db2.gz XDNRNEWPJVFUJI-UMVBOHGHSA-N 1 0 337.424 -1.373 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1[NH2+]CC(N)=O ZINC001070641937 671938093 /nfs/dbraw/zinc/93/80/93/671938093.db2.gz GBEUCCBZYOWVRJ-VXGBXAGGSA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]CCO ZINC001070642116 671938133 /nfs/dbraw/zinc/93/81/33/671938133.db2.gz OLTVVHNJKPVPAM-VXGBXAGGSA-N 1 0 333.396 -1.074 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CC(N)=O ZINC001070642978 671938634 /nfs/dbraw/zinc/93/86/34/671938634.db2.gz FAPVXJBCCKFPFS-NXEZZACHSA-N 1 0 332.368 -1.768 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]CC(N)=O ZINC001070643018 671938722 /nfs/dbraw/zinc/93/87/22/671938722.db2.gz GXKUUTPRCFFKJJ-VXGBXAGGSA-N 1 0 346.395 -1.529 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C)C(N)=O ZINC001070643044 671938779 /nfs/dbraw/zinc/93/87/79/671938779.db2.gz INWGLBHLNOZZBV-GMTAPVOTSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C)C(N)=O ZINC001070643045 671938607 /nfs/dbraw/zinc/93/86/07/671938607.db2.gz INWGLBHLNOZZBV-HBNTYKKESA-N 1 0 346.395 -1.380 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1[NH2+]CC(N)=O ZINC001070643131 671938763 /nfs/dbraw/zinc/93/87/63/671938763.db2.gz NAGJNMYYJSRONK-CHWSQXEVSA-N 1 0 345.407 -1.234 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070643169 671938519 /nfs/dbraw/zinc/93/85/19/671938519.db2.gz PAXLYYBVAFSOMY-ZIAGYGMSSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1[NH2+]CC(N)=O ZINC001070643190 671938569 /nfs/dbraw/zinc/93/85/69/671938569.db2.gz PRQCTGBYLJCKGB-CHWSQXEVSA-N 1 0 343.391 -1.178 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]CCO ZINC001070643192 671938513 /nfs/dbraw/zinc/93/85/13/671938513.db2.gz PTGKGZOBMCPBHL-CHWSQXEVSA-N 1 0 333.396 -1.022 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070643235 671938563 /nfs/dbraw/zinc/93/85/63/671938563.db2.gz ROXVKNWOELCZTE-BBBLOLIVSA-N 1 0 336.352 -2.102 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070643236 671938673 /nfs/dbraw/zinc/93/86/73/671938673.db2.gz ROXVKNWOELCZTE-OPRDCNLKSA-N 1 0 336.352 -2.102 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001070643337 671938576 /nfs/dbraw/zinc/93/85/76/671938576.db2.gz WXGPFCNAIGZIDP-CHWSQXEVSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001070643633 671938599 /nfs/dbraw/zinc/93/85/99/671938599.db2.gz CIWNJUMVTJKPMS-NXEZZACHSA-N 1 0 332.368 -1.768 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001070643731 671938743 /nfs/dbraw/zinc/93/87/43/671938743.db2.gz HXQQONKRSGLRBL-ZYHUDNBSSA-N 1 0 346.395 -1.285 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070643901 671938680 /nfs/dbraw/zinc/93/86/80/671938680.db2.gz LVZJCOPEGSEQJS-GMTAPVOTSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070643902 671938862 /nfs/dbraw/zinc/93/88/62/671938862.db2.gz LVZJCOPEGSEQJS-HBNTYKKESA-N 1 0 346.395 -1.380 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070644777 671938603 /nfs/dbraw/zinc/93/86/03/671938603.db2.gz BNGOGOBANKNIBJ-GHMZBOCLSA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001070645227 671938703 /nfs/dbraw/zinc/93/87/03/671938703.db2.gz PWJKTXHSQAVCAG-NXEZZACHSA-N 1 0 332.368 -1.768 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070645360 671938548 /nfs/dbraw/zinc/93/85/48/671938548.db2.gz RISDWNAFONPCBY-GMTAPVOTSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070645361 671938801 /nfs/dbraw/zinc/93/88/01/671938801.db2.gz RISDWNAFONPCBY-HBNTYKKESA-N 1 0 346.395 -1.380 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)o1 ZINC001070645420 671938561 /nfs/dbraw/zinc/93/85/61/671938561.db2.gz VIVMDGSWLLMELD-GHMZBOCLSA-N 1 0 347.379 -1.276 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001070646582 671938544 /nfs/dbraw/zinc/93/85/44/671938544.db2.gz JIKVLPXLFPMEDM-CHWSQXEVSA-N 1 0 345.407 -1.234 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)[nH]1 ZINC001070646674 671938509 /nfs/dbraw/zinc/93/85/09/671938509.db2.gz OUEKBQCPEFUVAK-VXGBXAGGSA-N 1 0 333.396 -1.034 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)[nH]1 ZINC001070646711 671938841 /nfs/dbraw/zinc/93/88/41/671938841.db2.gz QNFPZLNQCCKCIT-GHMZBOCLSA-N 1 0 346.395 -1.541 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(N)=O ZINC001070647791 671938490 /nfs/dbraw/zinc/93/84/90/671938490.db2.gz DDJMIULMJHQPCE-NXEZZACHSA-N 1 0 333.356 -2.524 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070648071 671938530 /nfs/dbraw/zinc/93/85/30/671938530.db2.gz RKUWRLNMVPPYAY-GMTAPVOTSA-N 1 0 347.383 -2.135 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070648072 671938665 /nfs/dbraw/zinc/93/86/65/671938665.db2.gz RKUWRLNMVPPYAY-HBNTYKKESA-N 1 0 347.383 -2.135 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cncn1C ZINC001070648179 671938811 /nfs/dbraw/zinc/93/88/11/671938811.db2.gz YBOCMHYTEICHPV-IJLUTSLNSA-N 1 0 334.384 -1.628 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cncn1C ZINC001070648180 671938557 /nfs/dbraw/zinc/93/85/57/671938557.db2.gz YBOCMHYTEICHPV-QJPTWQEYSA-N 1 0 334.384 -1.628 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1c1cncn1C ZINC001070649073 671938483 /nfs/dbraw/zinc/93/84/83/671938483.db2.gz NESGUKVJFLBAGT-GHMZBOCLSA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1[NH2+]CC(N)=O ZINC001070650275 671938622 /nfs/dbraw/zinc/93/86/22/671938622.db2.gz RVIOBRXOCIWALL-LGSVPQMISA-N 1 0 333.392 -1.174 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070652261 671939041 /nfs/dbraw/zinc/93/90/41/671939041.db2.gz JPFBBVOOGBYWFU-IJLUTSLNSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070652262 671939195 /nfs/dbraw/zinc/93/91/95/671939195.db2.gz JPFBBVOOGBYWFU-QJPTWQEYSA-N 1 0 346.395 -1.530 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CCO ZINC001070652303 671939031 /nfs/dbraw/zinc/93/90/31/671939031.db2.gz MVOBWUFELZACBT-VXGBXAGGSA-N 1 0 342.421 -1.659 20 0 EAADRO CNC(=O)CC(=O)N1CCC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001070653120 671939133 /nfs/dbraw/zinc/93/91/33/671939133.db2.gz ZMAPQLJLKHKGOH-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CCO ZINC001070653221 671939179 /nfs/dbraw/zinc/93/91/79/671939179.db2.gz FBTDRLWFBBDYEI-JHJVBQTASA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CCO ZINC001070653222 671939046 /nfs/dbraw/zinc/93/90/46/671939046.db2.gz FBTDRLWFBBDYEI-YNEHKIRRSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070653248 671939083 /nfs/dbraw/zinc/93/90/83/671939083.db2.gz GHWVUPLBLVDNHH-IJLUTSLNSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070653249 671939244 /nfs/dbraw/zinc/93/92/44/671939244.db2.gz GHWVUPLBLVDNHH-QJPTWQEYSA-N 1 0 348.407 -1.732 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C ZINC001070653321 671939137 /nfs/dbraw/zinc/93/91/37/671939137.db2.gz JXUMVBXVNLMGSS-JHJVBQTASA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C ZINC001070653322 671939184 /nfs/dbraw/zinc/93/91/84/671939184.db2.gz JXUMVBXVNLMGSS-YNEHKIRRSA-N 1 0 333.396 -1.023 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CC(N)=O ZINC001070653549 671939110 /nfs/dbraw/zinc/93/91/10/671939110.db2.gz XOCYPOYQJDLKPZ-GHMZBOCLSA-N 1 0 332.368 -1.919 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070655411 671939716 /nfs/dbraw/zinc/93/97/16/671939716.db2.gz LDOHEBFOGBWZFA-IJLUTSLNSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070655412 671939693 /nfs/dbraw/zinc/93/96/93/671939693.db2.gz LDOHEBFOGBWZFA-QJPTWQEYSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]CCO ZINC001070655713 671939736 /nfs/dbraw/zinc/93/97/36/671939736.db2.gz ZMFODHFPUPOHQU-JHJVBQTASA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]CCO ZINC001070655714 671939663 /nfs/dbraw/zinc/93/96/63/671939663.db2.gz ZMFODHFPUPOHQU-YNEHKIRRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]CCO ZINC001070656467 671939687 /nfs/dbraw/zinc/93/96/87/671939687.db2.gz ICLFLWVIZMUPLX-DGCLKSJQSA-N 1 0 346.391 -1.296 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1c1cncn1C ZINC001070656632 671939511 /nfs/dbraw/zinc/93/95/11/671939511.db2.gz SQQQTQBNWKMNMQ-OUAUKWLOSA-N 1 0 334.380 -1.078 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001070657038 671939557 /nfs/dbraw/zinc/93/95/57/671939557.db2.gz JGGZUZNFUYRTHM-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC001070657504 671940069 /nfs/dbraw/zinc/94/00/69/671940069.db2.gz CWDLFGYKNWLIBI-NXEZZACHSA-N 1 0 336.396 -1.699 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]CC(N)=O ZINC001070657530 671939992 /nfs/dbraw/zinc/93/99/92/671939992.db2.gz FCIVTOLNMOBMMB-GHMZBOCLSA-N 1 0 345.363 -1.401 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]CCO ZINC001070658273 671940235 /nfs/dbraw/zinc/94/02/35/671940235.db2.gz BNILWHKQTDMBCO-JHJVBQTASA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]CCO ZINC001070658274 671940085 /nfs/dbraw/zinc/94/00/85/671940085.db2.gz BNILWHKQTDMBCO-YNEHKIRRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070658328 671940110 /nfs/dbraw/zinc/94/01/10/671940110.db2.gz FJVFFNDCEVBIOD-IJLUTSLNSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070658329 671940222 /nfs/dbraw/zinc/94/02/22/671940222.db2.gz FJVFFNDCEVBIOD-QJPTWQEYSA-N 1 0 348.407 -1.684 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070658583 671940152 /nfs/dbraw/zinc/94/01/52/671940152.db2.gz OSACSYKNBWRGNS-NXEZZACHSA-N 1 0 347.379 -1.160 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070658721 671939966 /nfs/dbraw/zinc/93/99/66/671939966.db2.gz SXIWYBVNDBXBFU-GHMZBOCLSA-N 1 0 345.363 -1.401 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]CCO ZINC001070658754 671939949 /nfs/dbraw/zinc/93/99/49/671939949.db2.gz URGYWPORGRWAJR-JHJVBQTASA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070658845 671939998 /nfs/dbraw/zinc/93/99/98/671939998.db2.gz YQXBRABZKBIKOD-IJLUTSLNSA-N 1 0 348.407 -1.542 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)S(C)(=O)=O ZINC001070661216 671940639 /nfs/dbraw/zinc/94/06/39/671940639.db2.gz ZFUWZYBTFPXCHO-IJLUTSLNSA-N 1 0 344.437 -1.271 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)S(C)(=O)=O ZINC001070661217 671940593 /nfs/dbraw/zinc/94/05/93/671940593.db2.gz ZFUWZYBTFPXCHO-QJPTWQEYSA-N 1 0 344.437 -1.271 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]CC(N)=O ZINC001070661687 671940570 /nfs/dbraw/zinc/94/05/70/671940570.db2.gz APXNPRNVACIIQK-IJLUTSLNSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]CC(N)=O ZINC001070661688 671940510 /nfs/dbraw/zinc/94/05/10/671940510.db2.gz APXNPRNVACIIQK-QJPTWQEYSA-N 1 0 348.407 -1.684 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1c1cncn1C ZINC001070662127 671940443 /nfs/dbraw/zinc/94/04/43/671940443.db2.gz MMUZSQBVPBNABQ-VXGBXAGGSA-N 1 0 333.396 -1.081 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]CCO ZINC001070662282 671940587 /nfs/dbraw/zinc/94/05/87/671940587.db2.gz PBDNTPLVAJQSCH-JHJVBQTASA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]CCO ZINC001070662283 671940489 /nfs/dbraw/zinc/94/04/89/671940489.db2.gz PBDNTPLVAJQSCH-YNEHKIRRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]CCO ZINC001070662470 671940437 /nfs/dbraw/zinc/94/04/37/671940437.db2.gz UKHNDTKEDGTBNE-VXGBXAGGSA-N 1 0 349.395 -2.108 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001070663029 671940472 /nfs/dbraw/zinc/94/04/72/671940472.db2.gz IKEPMJVEAHDXDI-CKYFFXLPSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001070663030 671940610 /nfs/dbraw/zinc/94/06/10/671940610.db2.gz IKEPMJVEAHDXDI-JFGNBEQYSA-N 1 0 344.379 -1.376 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070663137 671940514 /nfs/dbraw/zinc/94/05/14/671940514.db2.gz OWPLGYBLTXFHDN-CKYFFXLPSA-N 1 0 346.395 -1.000 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070663138 671940481 /nfs/dbraw/zinc/94/04/81/671940481.db2.gz OWPLGYBLTXFHDN-JFGNBEQYSA-N 1 0 346.395 -1.000 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070663332 671940816 /nfs/dbraw/zinc/94/08/16/671940816.db2.gz ZTRNCZDOPGXVFR-FXPVBKGRSA-N 1 0 332.368 -1.390 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070663333 671940868 /nfs/dbraw/zinc/94/08/68/671940868.db2.gz ZTRNCZDOPGXVFR-IQJOONFLSA-N 1 0 332.368 -1.390 20 0 EAADRO Cn1cncc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070664511 671941079 /nfs/dbraw/zinc/94/10/79/671941079.db2.gz WCWQKQSGUAPQNK-GHMZBOCLSA-N 1 0 331.380 -1.163 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070668506 671940826 /nfs/dbraw/zinc/94/08/26/671940826.db2.gz XXEFTKCNFMJTHZ-CHWSQXEVSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]CCO ZINC001070671181 671940893 /nfs/dbraw/zinc/94/08/93/671940893.db2.gz AXQQGDLJFOFQQG-VXGBXAGGSA-N 1 0 346.391 -1.296 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070672717 671940859 /nfs/dbraw/zinc/94/08/59/671940859.db2.gz AQJAJROHHPLFKZ-GLKRBJQHSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070672718 671941163 /nfs/dbraw/zinc/94/11/63/671941163.db2.gz AQJAJROHHPLFKZ-UVWXRNBGSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CCO ZINC001070673220 671941101 /nfs/dbraw/zinc/94/11/01/671941101.db2.gz IJXGLXRUXZSMRW-HSMVNMDESA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CCO ZINC001070673221 671940961 /nfs/dbraw/zinc/94/09/61/671940961.db2.gz IJXGLXRUXZSMRW-XHBSWPGZSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2csnn2)C[C@H]1[NH2+]CC(N)=O ZINC001070673510 671940980 /nfs/dbraw/zinc/94/09/80/671940980.db2.gz XVLAPOOXMDDWMO-RKDXNWHRSA-N 1 0 335.393 -1.045 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070675427 671941137 /nfs/dbraw/zinc/94/11/37/671941137.db2.gz ANCVTSJGCUYOIS-NXEZZACHSA-N 1 0 332.368 -1.470 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001070675542 671941041 /nfs/dbraw/zinc/94/10/41/671941041.db2.gz HNBWABCBHANOLB-GMTAPVOTSA-N 1 0 346.395 -1.082 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001070675543 671940927 /nfs/dbraw/zinc/94/09/27/671940927.db2.gz HNBWABCBHANOLB-HBNTYKKESA-N 1 0 346.395 -1.082 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1c1cncn1C ZINC001070676509 671941033 /nfs/dbraw/zinc/94/10/33/671941033.db2.gz BKFXTKQKXGMZOZ-CHWSQXEVSA-N 1 0 334.424 -1.244 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]CC(N)=O ZINC001070676539 671941168 /nfs/dbraw/zinc/94/11/68/671941168.db2.gz DCBBFRYAJLHXIW-NXEZZACHSA-N 1 0 347.379 -1.458 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]CCO ZINC001070676671 671941126 /nfs/dbraw/zinc/94/11/26/671941126.db2.gz JINQEWRPWUWYKJ-IJLUTSLNSA-N 1 0 336.396 -1.680 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]CCO ZINC001070676672 671940889 /nfs/dbraw/zinc/94/08/89/671940889.db2.gz JINQEWRPWUWYKJ-UTUOFQBUSA-N 1 0 336.396 -1.680 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070676804 671941025 /nfs/dbraw/zinc/94/10/25/671941025.db2.gz OVDQFOHYQJOXPS-GMTAPVOTSA-N 1 0 349.395 -2.187 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070676805 671941183 /nfs/dbraw/zinc/94/11/83/671941183.db2.gz OVDQFOHYQJOXPS-MXWKQRLJSA-N 1 0 349.395 -2.187 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070676814 671941093 /nfs/dbraw/zinc/94/10/93/671941093.db2.gz PMVVHFKPCWUEMV-GMTAPVOTSA-N 1 0 334.380 -2.075 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070676815 671940991 /nfs/dbraw/zinc/94/09/91/671940991.db2.gz PMVVHFKPCWUEMV-HBNTYKKESA-N 1 0 334.380 -2.075 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]CC(N)=O ZINC001070679102 671940950 /nfs/dbraw/zinc/94/09/50/671940950.db2.gz DXNZJOCZBCBAMG-UTUOFQBUSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1[NH2+]CC(N)=O ZINC001070679168 671940903 /nfs/dbraw/zinc/94/09/03/671940903.db2.gz IURFVQHGSMQBBP-OVKLUEDNSA-N 1 0 333.392 -1.318 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]CC(N)=O ZINC001070679182 671941104 /nfs/dbraw/zinc/94/11/04/671941104.db2.gz JRGUUIUUFHVQPP-RKDXNWHRSA-N 1 0 333.356 -2.373 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cncn1C ZINC001070679186 671940969 /nfs/dbraw/zinc/94/09/69/671940969.db2.gz KAONPSVHMSKWJP-GMTAPVOTSA-N 1 0 334.384 -1.478 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cncn1C ZINC001070679187 671940921 /nfs/dbraw/zinc/94/09/21/671940921.db2.gz KAONPSVHMSKWJP-HBNTYKKESA-N 1 0 334.384 -1.478 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070679418 671940914 /nfs/dbraw/zinc/94/09/14/671940914.db2.gz XAPKVDDXUPMHBK-IVZWLZJFSA-N 1 0 347.383 -1.985 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070679419 671941055 /nfs/dbraw/zinc/94/10/55/671941055.db2.gz XAPKVDDXUPMHBK-OPRDCNLKSA-N 1 0 347.383 -1.985 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]CCO ZINC001070679451 671941174 /nfs/dbraw/zinc/94/11/74/671941174.db2.gz YHOGPYNMGHRXDL-UPJWGTAASA-N 1 0 335.408 -1.083 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]CCO ZINC001070679835 671940806 /nfs/dbraw/zinc/94/08/06/671940806.db2.gz QHPQSGCTKSGAGZ-JHJVBQTASA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]CCO ZINC001070679836 671941145 /nfs/dbraw/zinc/94/11/45/671941145.db2.gz QHPQSGCTKSGAGZ-YNEHKIRRSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070679970 671940937 /nfs/dbraw/zinc/94/09/37/671940937.db2.gz XILUGXLUTQTGBU-IJLUTSLNSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070679971 671941157 /nfs/dbraw/zinc/94/11/57/671941157.db2.gz XILUGXLUTQTGBU-QJPTWQEYSA-N 1 0 348.407 -1.732 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001070680439 671941464 /nfs/dbraw/zinc/94/14/64/671941464.db2.gz OEHYODVEOSMCNU-NEPJUHHUSA-N 1 0 342.396 -1.220 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001070680440 671941483 /nfs/dbraw/zinc/94/14/83/671941483.db2.gz OEHYODVEOSMCNU-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]CC(N)=O ZINC001070680820 671941438 /nfs/dbraw/zinc/94/14/38/671941438.db2.gz DXNZJOCZBCBAMG-IJLUTSLNSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]CCO ZINC001070681165 671941462 /nfs/dbraw/zinc/94/14/62/671941462.db2.gz YHOGPYNMGHRXDL-JHJVBQTASA-N 1 0 335.408 -1.083 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1[NH2+]CC(N)=O ZINC001070682215 671941447 /nfs/dbraw/zinc/94/14/47/671941447.db2.gz PTHQNZGAALXXES-HFAKWTLXSA-N 1 0 339.371 -1.082 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1[NH2+]CC(N)=O ZINC001070682216 671941775 /nfs/dbraw/zinc/94/17/75/671941775.db2.gz PTHQNZGAALXXES-UEKVPHQBSA-N 1 0 339.371 -1.082 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]CCO ZINC001070682224 671942227 /nfs/dbraw/zinc/94/22/27/671942227.db2.gz QEMQAKUDHMAPLL-ZYHUDNBSSA-N 1 0 332.364 -1.307 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]CC(N)=O ZINC001070683450 671941897 /nfs/dbraw/zinc/94/18/97/671941897.db2.gz NZSNKKMBQQGCOH-MWLCHTKSSA-N 1 0 345.363 -1.814 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070683662 671941912 /nfs/dbraw/zinc/94/19/12/671941912.db2.gz ZLPSRNZBJIRERF-KXUCPTDWSA-N 1 0 335.368 -2.529 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070683663 671942156 /nfs/dbraw/zinc/94/21/56/671942156.db2.gz ZLPSRNZBJIRERF-OPRDCNLKSA-N 1 0 335.368 -2.529 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001070684394 671942035 /nfs/dbraw/zinc/94/20/35/671942035.db2.gz DWUTUWGOXYOORQ-GMTAPVOTSA-N 1 0 334.380 -1.980 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001070684395 671942217 /nfs/dbraw/zinc/94/22/17/671942217.db2.gz DWUTUWGOXYOORQ-OUAUKWLOSA-N 1 0 334.380 -1.980 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cncn2C)cn1 ZINC001070684417 671942225 /nfs/dbraw/zinc/94/22/25/671942225.db2.gz FUDXFSKAVOFHJM-CHWSQXEVSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070684457 671942081 /nfs/dbraw/zinc/94/20/81/671942081.db2.gz HYDNDBHLUWECDF-VXGBXAGGSA-N 1 0 331.380 -1.277 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001070684476 671941838 /nfs/dbraw/zinc/94/18/38/671941838.db2.gz JBZVTYXSHPJARU-KXUCPTDWSA-N 1 0 348.363 -2.405 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001070684477 671942042 /nfs/dbraw/zinc/94/20/42/671942042.db2.gz JBZVTYXSHPJARU-OPRDCNLKSA-N 1 0 348.363 -2.405 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001070684487 671942131 /nfs/dbraw/zinc/94/21/31/671942131.db2.gz JPATWPMVAWHJFP-VXGBXAGGSA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001070684492 671942205 /nfs/dbraw/zinc/94/22/05/671942205.db2.gz JYMSNBWDHOJAIP-GHMZBOCLSA-N 1 0 334.380 -1.978 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001070684504 671941976 /nfs/dbraw/zinc/94/19/76/671941976.db2.gz KKWQBMRUEXXCCG-GMTAPVOTSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001070684505 671942101 /nfs/dbraw/zinc/94/21/01/671942101.db2.gz KKWQBMRUEXXCCG-OUAUKWLOSA-N 1 0 334.380 -1.932 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cncn1C)C(N)=O ZINC001070684553 671941923 /nfs/dbraw/zinc/94/19/23/671941923.db2.gz NGCOUTSTMYCEQA-GMTAPVOTSA-N 1 0 348.407 -1.557 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cncn1C)C(N)=O ZINC001070684554 671942185 /nfs/dbraw/zinc/94/21/85/671942185.db2.gz NGCOUTSTMYCEQA-HBNTYKKESA-N 1 0 348.407 -1.557 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001070684579 671942229 /nfs/dbraw/zinc/94/22/29/671942229.db2.gz OEBLDRQVZVBBGG-GHMZBOCLSA-N 1 0 332.368 -1.882 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001070684591 671942164 /nfs/dbraw/zinc/94/21/64/671942164.db2.gz PEBWCKRFVAPKQF-GRYCIOLGSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001070684592 671942125 /nfs/dbraw/zinc/94/21/25/671942125.db2.gz PEBWCKRFVAPKQF-IJLUTSLNSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001070684613 671942086 /nfs/dbraw/zinc/94/20/86/671942086.db2.gz QJKALYUNTHXWBN-VXGBXAGGSA-N 1 0 348.407 -1.588 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001070684664 671942170 /nfs/dbraw/zinc/94/21/70/671942170.db2.gz SVRVSALVKDDKJO-VXGBXAGGSA-N 1 0 346.395 -1.399 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCn1cccn1 ZINC001070684698 671941969 /nfs/dbraw/zinc/94/19/69/671941969.db2.gz VHUXHABKYPFGJG-VXGBXAGGSA-N 1 0 331.380 -1.314 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1[NH2+]CC(N)=O ZINC001070684699 671941937 /nfs/dbraw/zinc/94/19/37/671941937.db2.gz VJAXMMWTOATQHF-NXEZZACHSA-N 1 0 334.380 -1.945 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001070684725 671942182 /nfs/dbraw/zinc/94/21/82/671942182.db2.gz WTVPIKPOQQUIFZ-VXGBXAGGSA-N 1 0 331.380 -1.277 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cncn2C)cn1 ZINC001070684733 671941957 /nfs/dbraw/zinc/94/19/57/671941957.db2.gz XDSWUMMOGNWJNV-VXGBXAGGSA-N 1 0 331.380 -1.277 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cncn1C ZINC001070684748 671942015 /nfs/dbraw/zinc/94/20/15/671942015.db2.gz XVISWCUFUAIYGX-IJLUTSLNSA-N 1 0 335.408 -1.050 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cncn1C ZINC001070684749 671941832 /nfs/dbraw/zinc/94/18/32/671941832.db2.gz XVISWCUFUAIYGX-QJPTWQEYSA-N 1 0 335.408 -1.050 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCc1ccnn1C ZINC001070685428 671941989 /nfs/dbraw/zinc/94/19/89/671941989.db2.gz AWSZNEWYDUEDEA-CHWSQXEVSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001070685514 671942095 /nfs/dbraw/zinc/94/20/95/671942095.db2.gz FZZJOOUSKBLNKJ-GHMZBOCLSA-N 1 0 349.395 -2.185 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001070685535 671942221 /nfs/dbraw/zinc/94/22/21/671942221.db2.gz GXIJVHVFMCGCQF-GHMZBOCLSA-N 1 0 332.368 -1.919 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001070685618 671942561 /nfs/dbraw/zinc/94/25/61/671942561.db2.gz KSLKZWBDDFPNGP-NXEZZACHSA-N 1 0 347.379 -1.458 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cncn2C)C1=O ZINC001070685906 671942570 /nfs/dbraw/zinc/94/25/70/671942570.db2.gz ZLYKEOSVDUPLHO-GRYCIOLGSA-N 1 0 348.407 -1.590 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cncn2C)C1=O ZINC001070685907 671942535 /nfs/dbraw/zinc/94/25/35/671942535.db2.gz ZLYKEOSVDUPLHO-IJLUTSLNSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]CCO ZINC001070686746 671942429 /nfs/dbraw/zinc/94/24/29/671942429.db2.gz AAMFZHKJOFOCEZ-HSMVNMDESA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070686898 671942619 /nfs/dbraw/zinc/94/26/19/671942619.db2.gz IHXNIAXOVGPZPC-UVWXRNBGSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1[NH2+]CC(N)=O ZINC001070686904 671942447 /nfs/dbraw/zinc/94/24/47/671942447.db2.gz IZNUAZUJXQGIOE-PSASIEDQSA-N 1 0 335.343 -1.035 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070689544 671942419 /nfs/dbraw/zinc/94/24/19/671942419.db2.gz DHZCGDQBZJWQIH-GLKRBJQHSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001070689545 671942463 /nfs/dbraw/zinc/94/24/63/671942463.db2.gz DHZCGDQBZJWQIH-UVWXRNBGSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]CCO ZINC001070689951 671942595 /nfs/dbraw/zinc/94/25/95/671942595.db2.gz YXQVRHQQDSFGIR-HSMVNMDESA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]CCO ZINC001070689952 671942554 /nfs/dbraw/zinc/94/25/54/671942554.db2.gz YXQVRHQQDSFGIR-XHBSWPGZSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]CC(N)=O ZINC001070690870 671942798 /nfs/dbraw/zinc/94/27/98/671942798.db2.gz RFHKHNAHPWFWJZ-VXGBXAGGSA-N 1 0 346.395 -1.460 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001070690937 671942856 /nfs/dbraw/zinc/94/28/56/671942856.db2.gz WBDGCRFQKGSDGW-CHWSQXEVSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC001070691765 671943034 /nfs/dbraw/zinc/94/30/34/671943034.db2.gz IMITXQIMXXNFPM-LMLFDSFASA-N 1 0 334.380 -2.089 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1[NH2+]CC(N)=O ZINC001070693354 671943123 /nfs/dbraw/zinc/94/31/23/671943123.db2.gz FTLBIQNBZJUMAT-VXGBXAGGSA-N 1 0 329.364 -1.107 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1c1cncn1C ZINC001070694789 671942889 /nfs/dbraw/zinc/94/28/89/671942889.db2.gz AVRUGTSKAYQQID-OUAUKWLOSA-N 1 0 334.380 -1.078 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001070694894 671943090 /nfs/dbraw/zinc/94/30/90/671943090.db2.gz GINYVOGHZYNUTI-VXGBXAGGSA-N 1 0 331.380 -1.245 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070696554 671943068 /nfs/dbraw/zinc/94/30/68/671943068.db2.gz YEYADWYQOJRZNE-CHWSQXEVSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1[NH2+]CC(N)=O ZINC001070701853 671943131 /nfs/dbraw/zinc/94/31/31/671943131.db2.gz ACGQOKCQXMPYSY-MWLCHTKSSA-N 1 0 332.368 -1.768 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070701880 671943027 /nfs/dbraw/zinc/94/30/27/671943027.db2.gz BDPDRLDXJPNJIY-IJLUTSLNSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070701881 671943043 /nfs/dbraw/zinc/94/30/43/671943043.db2.gz BDPDRLDXJPNJIY-QJPTWQEYSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1[NH2+]CCO ZINC001070701963 671942961 /nfs/dbraw/zinc/94/29/61/671942961.db2.gz GAXOFEBQESXWTH-VXGBXAGGSA-N 1 0 349.391 -1.651 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1[NH2+]CC(N)=O ZINC001070701996 671942793 /nfs/dbraw/zinc/94/27/93/671942793.db2.gz HTFWYPXDODYYHV-ZYHUDNBSSA-N 1 0 329.364 -1.107 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070702220 671942782 /nfs/dbraw/zinc/94/27/82/671942782.db2.gz RSZWFTJLXPDVJV-CKYFFXLPSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070702221 671943012 /nfs/dbraw/zinc/94/30/12/671943012.db2.gz RSZWFTJLXPDVJV-HOSYDEDBSA-N 1 0 346.395 -1.380 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]CCO ZINC001070702279 671942943 /nfs/dbraw/zinc/94/29/43/671942943.db2.gz VDXCFRLVZQPAIE-JHJVBQTASA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CCO ZINC001070702280 671942878 /nfs/dbraw/zinc/94/28/78/671942878.db2.gz VDXCFRLVZQPAIE-YNEHKIRRSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001070703625 671942811 /nfs/dbraw/zinc/94/28/11/671942811.db2.gz CVKQRDDWNVINBB-GMTAPVOTSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001070703626 671943076 /nfs/dbraw/zinc/94/30/76/671943076.db2.gz CVKQRDDWNVINBB-OUAUKWLOSA-N 1 0 344.379 -1.376 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1c1cncn1C ZINC001070703675 671942840 /nfs/dbraw/zinc/94/28/40/671942840.db2.gz HIMKGDJMSLGDLU-GHMZBOCLSA-N 1 0 334.380 -1.124 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070703868 671942896 /nfs/dbraw/zinc/94/28/96/671942896.db2.gz QNLBRURPGJHBPH-GMTAPVOTSA-N 1 0 346.395 -1.000 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070703869 671942841 /nfs/dbraw/zinc/94/28/41/671942841.db2.gz QNLBRURPGJHBPH-OUAUKWLOSA-N 1 0 346.395 -1.000 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070703979 671942967 /nfs/dbraw/zinc/94/29/67/671942967.db2.gz YCSOOBBBEIWZPJ-IVZWLZJFSA-N 1 0 332.368 -1.390 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C)C(N)=O ZINC001070703980 671942849 /nfs/dbraw/zinc/94/28/49/671942849.db2.gz YCSOOBBBEIWZPJ-OPRDCNLKSA-N 1 0 332.368 -1.390 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cncn1C)C(N)=O ZINC001070704672 671942978 /nfs/dbraw/zinc/94/29/78/671942978.db2.gz DWSMSKXYUSQWEN-FXPVBKGRSA-N 1 0 333.352 -1.125 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cncn1C)C(N)=O ZINC001070704673 671943059 /nfs/dbraw/zinc/94/30/59/671943059.db2.gz DWSMSKXYUSQWEN-IQJOONFLSA-N 1 0 333.352 -1.125 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cnon2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001070704735 671943072 /nfs/dbraw/zinc/94/30/72/671943072.db2.gz IFFCZVXGXYGSID-CKYFFXLPSA-N 1 0 345.363 -1.111 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cnon2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001070704736 671942818 /nfs/dbraw/zinc/94/28/18/671942818.db2.gz IFFCZVXGXYGSID-JFGNBEQYSA-N 1 0 345.363 -1.111 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1[NH2+]CC(N)=O ZINC001070704799 671943443 /nfs/dbraw/zinc/94/34/43/671943443.db2.gz LJPDYJIHQGMPQC-GHMZBOCLSA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1[NH2+]CC(N)=O ZINC001070705051 671943499 /nfs/dbraw/zinc/94/34/99/671943499.db2.gz ZENNFENIDISRRE-ZYHUDNBSSA-N 1 0 329.364 -1.107 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1cncn1C ZINC001070705152 671943503 /nfs/dbraw/zinc/94/35/03/671943503.db2.gz FUBMIXGQASFFRY-JHJVBQTASA-N 1 0 348.411 -1.238 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1cncn1C ZINC001070705153 671943436 /nfs/dbraw/zinc/94/34/36/671943436.db2.gz FUBMIXGQASFFRY-YNEHKIRRSA-N 1 0 348.411 -1.238 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]CC(N)=O ZINC001070705167 671943484 /nfs/dbraw/zinc/94/34/84/671943484.db2.gz GOVDTWMEKPWPAZ-GHMZBOCLSA-N 1 0 347.383 -2.134 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]CCO ZINC001070705372 671943480 /nfs/dbraw/zinc/94/34/80/671943480.db2.gz SBCSELUDIREAQA-VXGBXAGGSA-N 1 0 334.384 -1.627 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001070705503 671943538 /nfs/dbraw/zinc/94/35/38/671943538.db2.gz YNWIPZMRFJRUHZ-GHMZBOCLSA-N 1 0 331.380 -1.245 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001070706184 671943461 /nfs/dbraw/zinc/94/34/61/671943461.db2.gz DJERYLANEBORDP-GHMZBOCLSA-N 1 0 346.395 -1.285 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070707232 671943313 /nfs/dbraw/zinc/94/33/13/671943313.db2.gz DDSVQQWPWDZCGF-ZYHUDNBSSA-N 1 0 347.379 -1.276 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001070709720 671943527 /nfs/dbraw/zinc/94/35/27/671943527.db2.gz PVINHVOVMJOQHE-NXEZZACHSA-N 1 0 332.368 -1.850 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cncn1C)C(N)=O ZINC001070710013 671943553 /nfs/dbraw/zinc/94/35/53/671943553.db2.gz VDWXUXSABWXSKF-GMTAPVOTSA-N 1 0 346.395 -1.461 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cncn1C)C(N)=O ZINC001070710014 671943457 /nfs/dbraw/zinc/94/34/57/671943457.db2.gz VDWXUXSABWXSKF-HBNTYKKESA-N 1 0 346.395 -1.461 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070710655 671943566 /nfs/dbraw/zinc/94/35/66/671943566.db2.gz MYLAFTLMOMZZSQ-CHWSQXEVSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001070711542 671943519 /nfs/dbraw/zinc/94/35/19/671943519.db2.gz AHHPCCUBQINYFW-OUAUKWLOSA-N 1 0 334.380 -1.932 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001070714161 671943450 /nfs/dbraw/zinc/94/34/50/671943450.db2.gz CSBHMQRIAGTPQD-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+]CCO ZINC001070715561 671943944 /nfs/dbraw/zinc/94/39/44/671943944.db2.gz LYBQPPSTKLOJTQ-DGCLKSJQSA-N 1 0 346.391 -1.296 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1cncn1C ZINC001070716867 671944435 /nfs/dbraw/zinc/94/44/35/671944435.db2.gz DEDACODXNMCKJR-GHMZBOCLSA-N 1 0 334.380 -1.124 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C ZINC001070716935 671944374 /nfs/dbraw/zinc/94/43/74/671944374.db2.gz HSCWDTIYHLVWOY-JHJVBQTASA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C ZINC001070716936 671944258 /nfs/dbraw/zinc/94/42/58/671944258.db2.gz HSCWDTIYHLVWOY-YNEHKIRRSA-N 1 0 333.396 -1.023 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1[NH2+]CC(N)=O ZINC001070716943 671944297 /nfs/dbraw/zinc/94/42/97/671944297.db2.gz HYWGTTFBRICWRQ-GHMZBOCLSA-N 1 0 332.368 -1.919 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070717012 671944426 /nfs/dbraw/zinc/94/44/26/671944426.db2.gz NDBRKECYEMWMTQ-IJLUTSLNSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C)C(N)=O ZINC001070717013 671944184 /nfs/dbraw/zinc/94/41/84/671944184.db2.gz NDBRKECYEMWMTQ-QJPTWQEYSA-N 1 0 346.395 -1.530 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1[NH2+]CCO ZINC001070717095 671944236 /nfs/dbraw/zinc/94/42/36/671944236.db2.gz ROSBFVINUHORRD-VXGBXAGGSA-N 1 0 349.391 -1.555 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001070717928 671944343 /nfs/dbraw/zinc/94/43/43/671944343.db2.gz CTMUXPWJDOUOGY-ZYHUDNBSSA-N 1 0 331.380 -1.163 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070719056 671944414 /nfs/dbraw/zinc/94/44/14/671944414.db2.gz QUCZHRIQZQPUFI-CHWSQXEVSA-N 1 0 345.407 -1.005 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1c1cncn1C ZINC001070721049 671944277 /nfs/dbraw/zinc/94/42/77/671944277.db2.gz KXLXUBNHVQKBHM-GHMZBOCLSA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1[NH2+]CCO ZINC001070721758 671944395 /nfs/dbraw/zinc/94/43/95/671944395.db2.gz YSYDBXPGKVJWQD-VXGBXAGGSA-N 1 0 348.407 -1.353 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]CC(N)=O ZINC001070723898 671944198 /nfs/dbraw/zinc/94/41/98/671944198.db2.gz WYIQMTWDLVQBSN-VXGBXAGGSA-N 1 0 331.380 -1.314 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070724929 671944158 /nfs/dbraw/zinc/94/41/58/671944158.db2.gz JVLBKBYDVCDBIE-NXEZZACHSA-N 1 0 333.352 -1.205 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1[NH2+]CCO ZINC001070726396 671944619 /nfs/dbraw/zinc/94/46/19/671944619.db2.gz XZIOQEQNBPKWAI-IJLUTSLNSA-N 1 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ZINC001071198635 686492763 /nfs/dbraw/zinc/49/27/63/686492763.db2.gz BGTZNULOPOXBCG-CZUORRHYSA-N 1 0 340.424 -1.898 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071198636 686492800 /nfs/dbraw/zinc/49/28/00/686492800.db2.gz BGTZNULOPOXBCG-XJKSGUPXSA-N 1 0 340.424 -1.898 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001071204266 686493625 /nfs/dbraw/zinc/49/36/25/686493625.db2.gz NVTQMWNJTHUPOF-BLLLJJGKSA-N 1 0 338.408 -1.214 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001071204267 686493877 /nfs/dbraw/zinc/49/38/77/686493877.db2.gz NVTQMWNJTHUPOF-LRDDRELGSA-N 1 0 338.408 -1.214 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001071204268 686493984 /nfs/dbraw/zinc/49/39/84/686493984.db2.gz NVTQMWNJTHUPOF-MLGOLLRUSA-N 1 0 338.408 -1.214 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001071204269 686493761 /nfs/dbraw/zinc/49/37/61/686493761.db2.gz 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C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001071206210 686494451 /nfs/dbraw/zinc/49/44/51/686494451.db2.gz GKQXQLHTASBHSW-NHYWBVRUSA-N 1 0 339.396 -1.811 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CCN3CCNC3=O)C2)O1 ZINC001071206211 686494522 /nfs/dbraw/zinc/49/45/22/686494522.db2.gz GKQXQLHTASBHSW-XHDPSFHLSA-N 1 0 339.396 -1.811 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001071215083 686495505 /nfs/dbraw/zinc/49/55/05/686495505.db2.gz PYHLKJRRYJIKRJ-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071219740 686494937 /nfs/dbraw/zinc/49/49/37/686494937.db2.gz XSIADSYDWOTDRI-BDJLRTHQSA-N 1 0 339.392 -1.277 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071219741 686494958 /nfs/dbraw/zinc/49/49/58/686494958.db2.gz XSIADSYDWOTDRI-BZNIZROVSA-N 1 0 339.392 -1.277 20 0 EAADRO C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071219742 686495292 /nfs/dbraw/zinc/49/52/92/686495292.db2.gz XSIADSYDWOTDRI-MEDUHNTESA-N 1 0 339.392 -1.277 20 0 EAADRO C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071219743 686495221 /nfs/dbraw/zinc/49/52/21/686495221.db2.gz XSIADSYDWOTDRI-ZBEGNZNMSA-N 1 0 339.392 -1.277 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071220060 686495530 /nfs/dbraw/zinc/49/55/30/686495530.db2.gz CMIRBSFAHNGQBQ-ABAIWWIYSA-N 1 0 340.380 -1.778 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071220061 686495310 /nfs/dbraw/zinc/49/53/10/686495310.db2.gz CMIRBSFAHNGQBQ-IAQYHMDHSA-N 1 0 340.380 -1.778 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071220062 686494926 /nfs/dbraw/zinc/49/49/26/686494926.db2.gz CMIRBSFAHNGQBQ-NHYWBVRUSA-N 1 0 340.380 -1.778 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071220063 686495682 /nfs/dbraw/zinc/49/56/82/686495682.db2.gz 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C[C@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071238505 686496694 /nfs/dbraw/zinc/49/66/94/686496694.db2.gz NNSMNXBZCFGCPA-LRDDRELGSA-N 1 0 339.392 -1.181 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071238506 686496622 /nfs/dbraw/zinc/49/66/22/686496622.db2.gz NNSMNXBZCFGCPA-MLGOLLRUSA-N 1 0 339.392 -1.181 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071238507 686496984 /nfs/dbraw/zinc/49/69/84/686496984.db2.gz NNSMNXBZCFGCPA-WBMJQRKESA-N 1 0 339.392 -1.181 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071238976 686496473 /nfs/dbraw/zinc/49/64/73/686496473.db2.gz UQCWAVITSMCMNN-ABAIWWIYSA-N 1 0 340.380 -1.778 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071238977 686496949 /nfs/dbraw/zinc/49/69/49/686496949.db2.gz UQCWAVITSMCMNN-IAQYHMDHSA-N 1 0 340.380 -1.778 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071238978 686497579 /nfs/dbraw/zinc/49/75/79/686497579.db2.gz UQCWAVITSMCMNN-NHYWBVRUSA-N 1 0 340.380 -1.778 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071238979 686497695 /nfs/dbraw/zinc/49/76/95/686497695.db2.gz UQCWAVITSMCMNN-XHDPSFHLSA-N 1 0 340.380 -1.778 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071239112 686497598 /nfs/dbraw/zinc/49/75/98/686497598.db2.gz WLMDEBVQHNEGGH-BDJLRTHQSA-N 1 0 349.391 -1.127 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071239113 686497479 /nfs/dbraw/zinc/49/74/79/686497479.db2.gz WLMDEBVQHNEGGH-BZNIZROVSA-N 1 0 349.391 -1.127 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001071239114 686497416 /nfs/dbraw/zinc/49/74/16/686497416.db2.gz WLMDEBVQHNEGGH-MEDUHNTESA-N 1 0 349.391 -1.127 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001071239115 686497341 /nfs/dbraw/zinc/49/73/41/686497341.db2.gz WLMDEBVQHNEGGH-ZBEGNZNMSA-N 1 0 349.391 -1.127 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001071254408 686497709 /nfs/dbraw/zinc/49/77/09/686497709.db2.gz DIIYJGMBLFGVAU-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071254871 686497683 /nfs/dbraw/zinc/49/76/83/686497683.db2.gz YSQGIPFMLOYCSJ-GFCCVEGCSA-N 1 0 348.469 -1.063 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001071256264 686498073 /nfs/dbraw/zinc/49/80/73/686498073.db2.gz PFAPMLBPLYMJFJ-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071256433 686498363 /nfs/dbraw/zinc/49/83/63/686498363.db2.gz XGRQRQUFDQKGGZ-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001071257491 686498370 /nfs/dbraw/zinc/49/83/70/686498370.db2.gz AVXDVVPZMKTZQM-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001071257536 686498413 /nfs/dbraw/zinc/49/84/13/686498413.db2.gz CYITWGWGAGAOLF-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001071257537 686498168 /nfs/dbraw/zinc/49/81/68/686498168.db2.gz CYITWGWGAGAOLF-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071257586 686498084 /nfs/dbraw/zinc/49/80/84/686498084.db2.gz FNLGYEHWKTXMHL-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1=O ZINC001071257715 686498387 /nfs/dbraw/zinc/49/83/87/686498387.db2.gz JQCDVDGJTVNVHL-GFCCVEGCSA-N 1 0 338.412 -1.359 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071258189 686498102 /nfs/dbraw/zinc/49/81/02/686498102.db2.gz ZXGPWLPLVOQBNL-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071258190 686498351 /nfs/dbraw/zinc/49/83/51/686498351.db2.gz ZXGPWLPLVOQBNL-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001071259361 686498886 /nfs/dbraw/zinc/49/88/86/686498886.db2.gz IUCPWTWYNUDUII-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001071259377 686499054 /nfs/dbraw/zinc/49/90/54/686499054.db2.gz JGVJTEYRSFHMFF-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071259484 686498991 /nfs/dbraw/zinc/49/89/91/686498991.db2.gz NCCPDDIINWHEFH-LLVKDONJSA-N 1 0 349.457 -1.901 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001071259572 686498733 /nfs/dbraw/zinc/49/87/33/686498733.db2.gz QTEQSGXXAHXUSO-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001071259575 686499041 /nfs/dbraw/zinc/49/90/41/686499041.db2.gz RBDVXQIJTWAGAJ-CYBMUJFWSA-N 1 0 339.440 -1.523 20 0 EAADRO CN(CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001071259630 686499008 /nfs/dbraw/zinc/49/90/08/686499008.db2.gz UGECHFDNAKAJTI-GFCCVEGCSA-N 1 0 348.469 -1.063 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071259785 686498839 /nfs/dbraw/zinc/49/88/39/686498839.db2.gz ZFFDRGSYHKAJON-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001071322720 686502303 /nfs/dbraw/zinc/50/23/03/686502303.db2.gz NCOQMOAZKUGHDM-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071340561 686502485 /nfs/dbraw/zinc/50/24/85/686502485.db2.gz QOMXLNBGKKPGDN-NEPJUHHUSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071340562 686502309 /nfs/dbraw/zinc/50/23/09/686502309.db2.gz QOMXLNBGKKPGDN-NWDGAFQWSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071340563 686502097 /nfs/dbraw/zinc/50/20/97/686502097.db2.gz QOMXLNBGKKPGDN-RYUDHWBXSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071340564 686502437 /nfs/dbraw/zinc/50/24/37/686502437.db2.gz QOMXLNBGKKPGDN-VXGBXAGGSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071340669 686502335 /nfs/dbraw/zinc/50/23/35/686502335.db2.gz RZQADAAOVNYHRF-NEPJUHHUSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071340670 686502212 /nfs/dbraw/zinc/50/22/12/686502212.db2.gz RZQADAAOVNYHRF-NWDGAFQWSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071340671 686502134 /nfs/dbraw/zinc/50/21/34/686502134.db2.gz RZQADAAOVNYHRF-RYUDHWBXSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071340672 686502221 /nfs/dbraw/zinc/50/22/21/686502221.db2.gz RZQADAAOVNYHRF-VXGBXAGGSA-N 1 0 336.400 -1.333 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001071348667 686503198 /nfs/dbraw/zinc/50/31/98/686503198.db2.gz NAPBATYRSUVFGX-UPJWGTAASA-N 1 0 340.424 -1.207 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001071372471 686503843 /nfs/dbraw/zinc/50/38/43/686503843.db2.gz KZZFHWFZPRCTJN-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001071374999 686503885 /nfs/dbraw/zinc/50/38/85/686503885.db2.gz QUCPRZGYIRZKLI-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001071415926 686504363 /nfs/dbraw/zinc/50/43/63/686504363.db2.gz NBRPVEOQWPLGRQ-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001071415927 686504602 /nfs/dbraw/zinc/50/46/02/686504602.db2.gz NBRPVEOQWPLGRQ-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001071496275 686507777 /nfs/dbraw/zinc/50/77/77/686507777.db2.gz QXXLNTJNYMONAF-AAEUAGOBSA-N 1 0 328.413 -1.336 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001071496276 686507653 /nfs/dbraw/zinc/50/76/53/686507653.db2.gz QXXLNTJNYMONAF-DGCLKSJQSA-N 1 0 328.413 -1.336 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001071496277 686507795 /nfs/dbraw/zinc/50/77/95/686507795.db2.gz QXXLNTJNYMONAF-WCQYABFASA-N 1 0 328.413 -1.336 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001071496278 686507817 /nfs/dbraw/zinc/50/78/17/686507817.db2.gz QXXLNTJNYMONAF-YPMHNXCESA-N 1 0 328.413 -1.336 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071513688 686509648 /nfs/dbraw/zinc/50/96/48/686509648.db2.gz HGGHQSCSFDCWFM-NEPJUHHUSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071513690 686510143 /nfs/dbraw/zinc/51/01/43/686510143.db2.gz HGGHQSCSFDCWFM-NWDGAFQWSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071513692 686510190 /nfs/dbraw/zinc/51/01/90/686510190.db2.gz HGGHQSCSFDCWFM-RYUDHWBXSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1CCNC1=O ZINC001071513694 686510439 /nfs/dbraw/zinc/51/04/39/686510439.db2.gz HGGHQSCSFDCWFM-VXGBXAGGSA-N 1 0 336.400 -1.333 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071515203 686510317 /nfs/dbraw/zinc/51/03/17/686510317.db2.gz SEHNERHAOZIMFO-NEPJUHHUSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071515204 686510261 /nfs/dbraw/zinc/51/02/61/686510261.db2.gz SEHNERHAOZIMFO-NWDGAFQWSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071515205 686510364 /nfs/dbraw/zinc/51/03/64/686510364.db2.gz SEHNERHAOZIMFO-RYUDHWBXSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071515206 686510275 /nfs/dbraw/zinc/51/02/75/686510275.db2.gz SEHNERHAOZIMFO-VXGBXAGGSA-N 1 0 349.395 -1.209 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cn2nccn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071533724 686510964 /nfs/dbraw/zinc/51/09/64/686510964.db2.gz JWODURQRIDVFMX-NEPJUHHUSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cn2nccn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071533726 686510723 /nfs/dbraw/zinc/51/07/23/686510723.db2.gz JWODURQRIDVFMX-NWDGAFQWSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cn2nccn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071533728 686510944 /nfs/dbraw/zinc/51/09/44/686510944.db2.gz JWODURQRIDVFMX-RYUDHWBXSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2nccn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071533730 686510923 /nfs/dbraw/zinc/51/09/23/686510923.db2.gz JWODURQRIDVFMX-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@@H+]1CCCO ZINC001071550015 686511393 /nfs/dbraw/zinc/51/13/93/686511393.db2.gz WMVIYGUDTBSPMY-CHWSQXEVSA-N 1 0 338.408 -1.102 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@@H+]1CCCO ZINC001071550016 686511835 /nfs/dbraw/zinc/51/18/35/686511835.db2.gz WMVIYGUDTBSPMY-OLZOCXBDSA-N 1 0 338.408 -1.102 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@@H+]1CCCO ZINC001071550017 686511792 /nfs/dbraw/zinc/51/17/92/686511792.db2.gz WMVIYGUDTBSPMY-QWHCGFSZSA-N 1 0 338.408 -1.102 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@@H+]1CCCO ZINC001071550018 686511749 /nfs/dbraw/zinc/51/17/49/686511749.db2.gz WMVIYGUDTBSPMY-STQMWFEESA-N 1 0 338.408 -1.102 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001071553099 686512506 /nfs/dbraw/zinc/51/25/06/686512506.db2.gz HNWZTWXRYFZRDO-NEPJUHHUSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001071553100 686512471 /nfs/dbraw/zinc/51/24/71/686512471.db2.gz HNWZTWXRYFZRDO-NWDGAFQWSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001071553101 686512424 /nfs/dbraw/zinc/51/24/24/686512424.db2.gz HNWZTWXRYFZRDO-RYUDHWBXSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001071553102 686512308 /nfs/dbraw/zinc/51/23/08/686512308.db2.gz HNWZTWXRYFZRDO-VXGBXAGGSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071553618 686512090 /nfs/dbraw/zinc/51/20/90/686512090.db2.gz NAYNBCYALPZWNI-NEPJUHHUSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071553620 686512183 /nfs/dbraw/zinc/51/21/83/686512183.db2.gz NAYNBCYALPZWNI-NWDGAFQWSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071553622 686512207 /nfs/dbraw/zinc/51/22/07/686512207.db2.gz NAYNBCYALPZWNI-RYUDHWBXSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071553624 686512304 /nfs/dbraw/zinc/51/23/04/686512304.db2.gz NAYNBCYALPZWNI-VXGBXAGGSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001071564757 686513979 /nfs/dbraw/zinc/51/39/79/686513979.db2.gz AVZLBEDYFMRRCB-CMPLNLGQSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001071564759 686514034 /nfs/dbraw/zinc/51/40/34/686514034.db2.gz AVZLBEDYFMRRCB-JQWIXIFHSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001071564761 686514185 /nfs/dbraw/zinc/51/41/85/686514185.db2.gz AVZLBEDYFMRRCB-PWSUYJOCSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001071564766 686514338 /nfs/dbraw/zinc/51/43/38/686514338.db2.gz AVZLBEDYFMRRCB-ZYHUDNBSSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071566583 686514796 /nfs/dbraw/zinc/51/47/96/686514796.db2.gz QJJNKRCXQOOWGF-GHMZBOCLSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071566584 686515261 /nfs/dbraw/zinc/51/52/61/686515261.db2.gz QJJNKRCXQOOWGF-MNOVXSKESA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071566585 686515214 /nfs/dbraw/zinc/51/52/14/686515214.db2.gz QJJNKRCXQOOWGF-QWRGUYRKSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001071566586 686515182 /nfs/dbraw/zinc/51/51/82/686515182.db2.gz QJJNKRCXQOOWGF-WDEREUQCSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001071575591 686517237 /nfs/dbraw/zinc/51/72/37/686517237.db2.gz UNYCFFLYGBUTBM-GHMZBOCLSA-N 1 0 329.401 -1.804 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001071575592 686517184 /nfs/dbraw/zinc/51/71/84/686517184.db2.gz UNYCFFLYGBUTBM-MNOVXSKESA-N 1 0 329.401 -1.804 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001071575593 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CNC(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001071968433 686542075 /nfs/dbraw/zinc/54/20/75/686542075.db2.gz VJPNCOWNHATPKQ-VXGBXAGGSA-N 1 0 328.413 -1.336 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071978095 686544153 /nfs/dbraw/zinc/54/41/53/686544153.db2.gz WFRYTKPATQFOSL-GHMZBOCLSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071978096 686544008 /nfs/dbraw/zinc/54/40/08/686544008.db2.gz WFRYTKPATQFOSL-MNOVXSKESA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071978097 686543731 /nfs/dbraw/zinc/54/37/31/686543731.db2.gz WFRYTKPATQFOSL-QWRGUYRKSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071978098 686544096 /nfs/dbraw/zinc/54/40/96/686544096.db2.gz WFRYTKPATQFOSL-WDEREUQCSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072004299 686545400 /nfs/dbraw/zinc/54/54/00/686545400.db2.gz XDVYWMNVOKTPRT-NEPJUHHUSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072004300 686545206 /nfs/dbraw/zinc/54/52/06/686545206.db2.gz XDVYWMNVOKTPRT-NWDGAFQWSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072004301 686545558 /nfs/dbraw/zinc/54/55/58/686545558.db2.gz XDVYWMNVOKTPRT-RYUDHWBXSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072004302 686545555 /nfs/dbraw/zinc/54/55/55/686545555.db2.gz XDVYWMNVOKTPRT-VXGBXAGGSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072014739 686546952 /nfs/dbraw/zinc/54/69/52/686546952.db2.gz UHPWBYHKMRBRCN-NEPJUHHUSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072014740 686546822 /nfs/dbraw/zinc/54/68/22/686546822.db2.gz UHPWBYHKMRBRCN-NWDGAFQWSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072014741 686546835 /nfs/dbraw/zinc/54/68/35/686546835.db2.gz UHPWBYHKMRBRCN-RYUDHWBXSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072014742 686546829 /nfs/dbraw/zinc/54/68/29/686546829.db2.gz UHPWBYHKMRBRCN-VXGBXAGGSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072015191 686546966 /nfs/dbraw/zinc/54/69/66/686546966.db2.gz ZQJOTRQVXRULCS-NEPJUHHUSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072015192 686546921 /nfs/dbraw/zinc/54/69/21/686546921.db2.gz ZQJOTRQVXRULCS-NWDGAFQWSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072015193 686546849 /nfs/dbraw/zinc/54/68/49/686546849.db2.gz ZQJOTRQVXRULCS-RYUDHWBXSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072015194 686546736 /nfs/dbraw/zinc/54/67/36/686546736.db2.gz ZQJOTRQVXRULCS-VXGBXAGGSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CCn1cncn1 ZINC001072055107 686549495 /nfs/dbraw/zinc/54/94/95/686549495.db2.gz PINJHCVKPDRIEF-NEPJUHHUSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CCn1cncn1 ZINC001072055108 686549340 /nfs/dbraw/zinc/54/93/40/686549340.db2.gz PINJHCVKPDRIEF-NWDGAFQWSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CCn1cncn1 ZINC001072055109 686549508 /nfs/dbraw/zinc/54/95/08/686549508.db2.gz PINJHCVKPDRIEF-RYUDHWBXSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CCn1cncn1 ZINC001072055110 686549247 /nfs/dbraw/zinc/54/92/47/686549247.db2.gz PINJHCVKPDRIEF-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)Cn2cncn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001072055151 686549451 /nfs/dbraw/zinc/54/94/51/686549451.db2.gz QIURLOFAQKAAFT-NEPJUHHUSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)Cn2cncn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001072055152 686549619 /nfs/dbraw/zinc/54/96/19/686549619.db2.gz QIURLOFAQKAAFT-NWDGAFQWSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)Cn2cncn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001072055153 686549574 /nfs/dbraw/zinc/54/95/74/686549574.db2.gz QIURLOFAQKAAFT-RYUDHWBXSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)Cn2cncn2)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001072055154 686549657 /nfs/dbraw/zinc/54/96/57/686549657.db2.gz QIURLOFAQKAAFT-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072073963 686551843 /nfs/dbraw/zinc/55/18/43/686551843.db2.gz HQYUKGIZARUPRL-NEPJUHHUSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072073964 686552192 /nfs/dbraw/zinc/55/21/92/686552192.db2.gz HQYUKGIZARUPRL-NWDGAFQWSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072073965 686551848 /nfs/dbraw/zinc/55/18/48/686551848.db2.gz HQYUKGIZARUPRL-RYUDHWBXSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072073966 686551807 /nfs/dbraw/zinc/55/18/07/686551807.db2.gz HQYUKGIZARUPRL-VXGBXAGGSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[N@@H+]1CCO ZINC001072098388 686553446 /nfs/dbraw/zinc/55/34/46/686553446.db2.gz BCJDJYSWNAQMPQ-NEPJUHHUSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[N@@H+]1CCO ZINC001072098395 686553310 /nfs/dbraw/zinc/55/33/10/686553310.db2.gz BCJDJYSWNAQMPQ-NWDGAFQWSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[N@@H+]1CCO ZINC001072098397 686553509 /nfs/dbraw/zinc/55/35/09/686553509.db2.gz BCJDJYSWNAQMPQ-RYUDHWBXSA-N 1 0 338.412 -1.059 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[N@@H+]1CCO ZINC001072098399 686553419 /nfs/dbraw/zinc/55/34/19/686553419.db2.gz BCJDJYSWNAQMPQ-VXGBXAGGSA-N 1 0 338.412 -1.059 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001072104259 686554077 /nfs/dbraw/zinc/55/40/77/686554077.db2.gz JMWPZKVLPNKIAK-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072104260 686554025 /nfs/dbraw/zinc/55/40/25/686554025.db2.gz JMWPZKVLPNKIAK-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001072104261 686553943 /nfs/dbraw/zinc/55/39/43/686553943.db2.gz JMWPZKVLPNKIAK-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072104262 686554162 /nfs/dbraw/zinc/55/41/62/686554162.db2.gz JMWPZKVLPNKIAK-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@H+](CCCO)C1 ZINC001072134151 686555852 /nfs/dbraw/zinc/55/58/52/686555852.db2.gz FXEXAOQWOPVTFP-AWEZNQCLSA-N 1 0 338.408 -1.111 20 0 EAADRO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@H+](CCCO)C1 ZINC001072134152 686555833 /nfs/dbraw/zinc/55/58/33/686555833.db2.gz FXEXAOQWOPVTFP-CQSZACIVSA-N 1 0 338.408 -1.111 20 0 EAADRO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001072134273 686556151 /nfs/dbraw/zinc/55/61/51/686556151.db2.gz JLJFPCSHLBLFPS-BXUZGUMPSA-N 1 0 338.408 -1.112 20 0 EAADRO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001072134274 686556087 /nfs/dbraw/zinc/55/60/87/686556087.db2.gz JLJFPCSHLBLFPS-FZMZJTMJSA-N 1 0 338.408 -1.112 20 0 EAADRO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001072134275 686555751 /nfs/dbraw/zinc/55/57/51/686555751.db2.gz JLJFPCSHLBLFPS-RISCZKNCSA-N 1 0 338.408 -1.112 20 0 EAADRO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001072134276 686556058 /nfs/dbraw/zinc/55/60/58/686556058.db2.gz JLJFPCSHLBLFPS-SMDDNHRTSA-N 1 0 338.408 -1.112 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001072136027 686556053 /nfs/dbraw/zinc/55/60/53/686556053.db2.gz QDMAGXKXJFNTKX-NEPJUHHUSA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001072136028 686555787 /nfs/dbraw/zinc/55/57/87/686555787.db2.gz QDMAGXKXJFNTKX-NWDGAFQWSA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001072136029 686556164 /nfs/dbraw/zinc/55/61/64/686556164.db2.gz QDMAGXKXJFNTKX-RYUDHWBXSA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001072136030 686555883 /nfs/dbraw/zinc/55/58/83/686555883.db2.gz QDMAGXKXJFNTKX-VXGBXAGGSA-N 1 0 325.413 -1.026 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001072136591 686555880 /nfs/dbraw/zinc/55/58/80/686555880.db2.gz XYCYJSIUVIMATL-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001072136592 686555824 /nfs/dbraw/zinc/55/58/24/686555824.db2.gz XYCYJSIUVIMATL-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001072136593 686556191 /nfs/dbraw/zinc/55/61/91/686556191.db2.gz XYCYJSIUVIMATL-RYUDHWBXSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001072136594 686556179 /nfs/dbraw/zinc/55/61/79/686556179.db2.gz XYCYJSIUVIMATL-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001072145853 686556435 /nfs/dbraw/zinc/55/64/35/686556435.db2.gz HSWAQBSIUITTFX-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001072145854 686556741 /nfs/dbraw/zinc/55/67/41/686556741.db2.gz HSWAQBSIUITTFX-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001072145855 686556680 /nfs/dbraw/zinc/55/66/80/686556680.db2.gz HSWAQBSIUITTFX-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001072145856 686556556 /nfs/dbraw/zinc/55/65/56/686556556.db2.gz HSWAQBSIUITTFX-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072146284 686556544 /nfs/dbraw/zinc/55/65/44/686556544.db2.gz LDOQUUCIYAWZTJ-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072146286 686556770 /nfs/dbraw/zinc/55/67/70/686556770.db2.gz LDOQUUCIYAWZTJ-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](NC(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001072146288 686556460 /nfs/dbraw/zinc/55/64/60/686556460.db2.gz LDOQUUCIYAWZTJ-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072146289 686556841 /nfs/dbraw/zinc/55/68/41/686556841.db2.gz LDOQUUCIYAWZTJ-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001072146525 686557121 /nfs/dbraw/zinc/55/71/21/686557121.db2.gz NYMHSWVZMSRSBE-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001072146526 686557390 /nfs/dbraw/zinc/55/73/90/686557390.db2.gz NYMHSWVZMSRSBE-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001072146527 686557331 /nfs/dbraw/zinc/55/73/31/686557331.db2.gz NYMHSWVZMSRSBE-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001072146528 686557082 /nfs/dbraw/zinc/55/70/82/686557082.db2.gz NYMHSWVZMSRSBE-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072146653 686557343 /nfs/dbraw/zinc/55/73/43/686557343.db2.gz PLBWMGZWXLTDSF-GHMZBOCLSA-N 1 0 334.442 -1.550 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001072146654 686557235 /nfs/dbraw/zinc/55/72/35/686557235.db2.gz PLBWMGZWXLTDSF-MNOVXSKESA-N 1 0 334.442 -1.550 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001072146655 686557151 /nfs/dbraw/zinc/55/71/51/686557151.db2.gz PLBWMGZWXLTDSF-QWRGUYRKSA-N 1 0 334.442 -1.550 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072146656 686557378 /nfs/dbraw/zinc/55/73/78/686557378.db2.gz PLBWMGZWXLTDSF-WDEREUQCSA-N 1 0 334.442 -1.550 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001072146753 686558101 /nfs/dbraw/zinc/55/81/01/686558101.db2.gz QIGMUJSBILPMQY-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001072146754 686557837 /nfs/dbraw/zinc/55/78/37/686557837.db2.gz QIGMUJSBILPMQY-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001072146755 686557794 /nfs/dbraw/zinc/55/77/94/686557794.db2.gz QIGMUJSBILPMQY-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001072146756 686557917 /nfs/dbraw/zinc/55/79/17/686557917.db2.gz QIGMUJSBILPMQY-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001072149129 686558799 /nfs/dbraw/zinc/55/87/99/686558799.db2.gz GDRRDWHCYZJOTO-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001072149130 686558740 /nfs/dbraw/zinc/55/87/40/686558740.db2.gz GDRRDWHCYZJOTO-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001072149131 686558582 /nfs/dbraw/zinc/55/85/82/686558582.db2.gz GDRRDWHCYZJOTO-RYUDHWBXSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001072149132 686558532 /nfs/dbraw/zinc/55/85/32/686558532.db2.gz GDRRDWHCYZJOTO-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001072149469 686559229 /nfs/dbraw/zinc/55/92/29/686559229.db2.gz JEYXPNJWLODAFF-NEPJUHHUSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001072149470 686559048 /nfs/dbraw/zinc/55/90/48/686559048.db2.gz JEYXPNJWLODAFF-NWDGAFQWSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001072149471 686559132 /nfs/dbraw/zinc/55/91/32/686559132.db2.gz JEYXPNJWLODAFF-RYUDHWBXSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001072149472 686559017 /nfs/dbraw/zinc/55/90/17/686559017.db2.gz JEYXPNJWLODAFF-VXGBXAGGSA-N 1 0 348.469 -1.161 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001072153131 686559769 /nfs/dbraw/zinc/55/97/69/686559769.db2.gz SHQHNKIEBXHZDV-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001072153133 686559960 /nfs/dbraw/zinc/55/99/60/686559960.db2.gz SHQHNKIEBXHZDV-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](C)C1 ZINC001072153135 686559718 /nfs/dbraw/zinc/55/97/18/686559718.db2.gz SHQHNKIEBXHZDV-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001072153137 686559987 /nfs/dbraw/zinc/55/99/87/686559987.db2.gz SHQHNKIEBXHZDV-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072160537 686560719 /nfs/dbraw/zinc/56/07/19/686560719.db2.gz GBJKDNXYXFNGTB-NEPJUHHUSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072160538 686560628 /nfs/dbraw/zinc/56/06/28/686560628.db2.gz GBJKDNXYXFNGTB-NWDGAFQWSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072160539 686560408 /nfs/dbraw/zinc/56/04/08/686560408.db2.gz GBJKDNXYXFNGTB-RYUDHWBXSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072160540 686560695 /nfs/dbraw/zinc/56/06/95/686560695.db2.gz GBJKDNXYXFNGTB-VXGBXAGGSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072161433 686560482 /nfs/dbraw/zinc/56/04/82/686560482.db2.gz LWZVGGCLEUSHPH-NEPJUHHUSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072161434 686560369 /nfs/dbraw/zinc/56/03/69/686560369.db2.gz LWZVGGCLEUSHPH-NWDGAFQWSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072161435 686560530 /nfs/dbraw/zinc/56/05/30/686560530.db2.gz LWZVGGCLEUSHPH-RYUDHWBXSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072161436 686560363 /nfs/dbraw/zinc/56/03/63/686560363.db2.gz LWZVGGCLEUSHPH-VXGBXAGGSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072164532 686560908 /nfs/dbraw/zinc/56/09/08/686560908.db2.gz HCOUXZCFAPZHNC-CMPLNLGQSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072164536 686560881 /nfs/dbraw/zinc/56/08/81/686560881.db2.gz HCOUXZCFAPZHNC-JQWIXIFHSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072164538 686561463 /nfs/dbraw/zinc/56/14/63/686561463.db2.gz HCOUXZCFAPZHNC-PWSUYJOCSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072164540 686561754 /nfs/dbraw/zinc/56/17/54/686561754.db2.gz HCOUXZCFAPZHNC-ZYHUDNBSSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072182069 686562280 /nfs/dbraw/zinc/56/22/80/686562280.db2.gz AXNMLHSAHGBXJF-CHWSQXEVSA-N 1 0 338.412 -1.181 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072182070 686562295 /nfs/dbraw/zinc/56/22/95/686562295.db2.gz AXNMLHSAHGBXJF-OLZOCXBDSA-N 1 0 338.412 -1.181 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072182071 686562273 /nfs/dbraw/zinc/56/22/73/686562273.db2.gz AXNMLHSAHGBXJF-QWHCGFSZSA-N 1 0 338.412 -1.181 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072182072 686562370 /nfs/dbraw/zinc/56/23/70/686562370.db2.gz AXNMLHSAHGBXJF-STQMWFEESA-N 1 0 338.412 -1.181 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072188633 686563120 /nfs/dbraw/zinc/56/31/20/686563120.db2.gz CIXJMLHVTQNUOZ-GHMZBOCLSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072188634 686562985 /nfs/dbraw/zinc/56/29/85/686562985.db2.gz CIXJMLHVTQNUOZ-MNOVXSKESA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072188635 686562668 /nfs/dbraw/zinc/56/26/68/686562668.db2.gz CIXJMLHVTQNUOZ-QWRGUYRKSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072188636 686562935 /nfs/dbraw/zinc/56/29/35/686562935.db2.gz CIXJMLHVTQNUOZ-WDEREUQCSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072189445 686563062 /nfs/dbraw/zinc/56/30/62/686563062.db2.gz ONPNOVDONIIFPE-GHMZBOCLSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072189446 686562956 /nfs/dbraw/zinc/56/29/56/686562956.db2.gz ONPNOVDONIIFPE-MNOVXSKESA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072189447 686562823 /nfs/dbraw/zinc/56/28/23/686562823.db2.gz ONPNOVDONIIFPE-QWRGUYRKSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072189448 686562967 /nfs/dbraw/zinc/56/29/67/686562967.db2.gz ONPNOVDONIIFPE-WDEREUQCSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072213475 686563720 /nfs/dbraw/zinc/56/37/20/686563720.db2.gz IRGZUQCBMIFIJZ-GHMZBOCLSA-N 1 0 344.441 -1.171 20 0 EAADRO C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072213491 686563599 /nfs/dbraw/zinc/56/35/99/686563599.db2.gz IRGZUQCBMIFIJZ-MNOVXSKESA-N 1 0 344.441 -1.171 20 0 EAADRO C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072213492 686563710 /nfs/dbraw/zinc/56/37/10/686563710.db2.gz IRGZUQCBMIFIJZ-QWRGUYRKSA-N 1 0 344.441 -1.171 20 0 EAADRO C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072213493 686563479 /nfs/dbraw/zinc/56/34/79/686563479.db2.gz IRGZUQCBMIFIJZ-WDEREUQCSA-N 1 0 344.441 -1.171 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072255909 686564384 /nfs/dbraw/zinc/56/43/84/686564384.db2.gz RHHCIMCBSNBMSX-GHMZBOCLSA-N 1 0 349.399 -1.218 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072255910 686564435 /nfs/dbraw/zinc/56/44/35/686564435.db2.gz RHHCIMCBSNBMSX-MNOVXSKESA-N 1 0 349.399 -1.218 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CN=NC2=O)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072255911 686564358 /nfs/dbraw/zinc/56/43/58/686564358.db2.gz RHHCIMCBSNBMSX-QWRGUYRKSA-N 1 0 349.399 -1.218 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072255912 686564378 /nfs/dbraw/zinc/56/43/78/686564378.db2.gz RHHCIMCBSNBMSX-WDEREUQCSA-N 1 0 349.399 -1.218 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072260261 686564262 /nfs/dbraw/zinc/56/42/62/686564262.db2.gz CBSRKAASDMDHOY-NEPJUHHUSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072260262 686564861 /nfs/dbraw/zinc/56/48/61/686564861.db2.gz CBSRKAASDMDHOY-NWDGAFQWSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072260263 686565005 /nfs/dbraw/zinc/56/50/05/686565005.db2.gz CBSRKAASDMDHOY-RYUDHWBXSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072260264 686564730 /nfs/dbraw/zinc/56/47/30/686564730.db2.gz CBSRKAASDMDHOY-VXGBXAGGSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072260521 686564750 /nfs/dbraw/zinc/56/47/50/686564750.db2.gz GAPCXCFMURMVMN-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072260522 686564763 /nfs/dbraw/zinc/56/47/63/686564763.db2.gz GAPCXCFMURMVMN-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072260523 686564617 /nfs/dbraw/zinc/56/46/17/686564617.db2.gz GAPCXCFMURMVMN-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072260524 686564887 /nfs/dbraw/zinc/56/48/87/686564887.db2.gz GAPCXCFMURMVMN-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001072260693 686564839 /nfs/dbraw/zinc/56/48/39/686564839.db2.gz HUVRYPFNIVLODO-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072260694 686564850 /nfs/dbraw/zinc/56/48/50/686564850.db2.gz HUVRYPFNIVLODO-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001072260695 686564914 /nfs/dbraw/zinc/56/49/14/686564914.db2.gz HUVRYPFNIVLODO-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072260696 686565051 /nfs/dbraw/zinc/56/50/51/686565051.db2.gz HUVRYPFNIVLODO-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072268349 686567510 /nfs/dbraw/zinc/56/75/10/686567510.db2.gz MDAUSRHIYLYAEH-NEPJUHHUSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072268350 686567415 /nfs/dbraw/zinc/56/74/15/686567415.db2.gz MDAUSRHIYLYAEH-NWDGAFQWSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001072268351 686567296 /nfs/dbraw/zinc/56/72/96/686567296.db2.gz MDAUSRHIYLYAEH-RYUDHWBXSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072268352 686567366 /nfs/dbraw/zinc/56/73/66/686567366.db2.gz MDAUSRHIYLYAEH-VXGBXAGGSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072269033 686568112 /nfs/dbraw/zinc/56/81/12/686568112.db2.gz VMLMLYRPTNJULJ-NEPJUHHUSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072269034 686568114 /nfs/dbraw/zinc/56/81/14/686568114.db2.gz VMLMLYRPTNJULJ-NWDGAFQWSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001072269035 686568119 /nfs/dbraw/zinc/56/81/19/686568119.db2.gz VMLMLYRPTNJULJ-RYUDHWBXSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072269036 686567890 /nfs/dbraw/zinc/56/78/90/686567890.db2.gz VMLMLYRPTNJULJ-VXGBXAGGSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001072272777 686569575 /nfs/dbraw/zinc/56/95/75/686569575.db2.gz WPWKYBIILUZQAV-NEPJUHHUSA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001072272778 686569374 /nfs/dbraw/zinc/56/93/74/686569374.db2.gz WPWKYBIILUZQAV-NWDGAFQWSA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001072272779 686569111 /nfs/dbraw/zinc/56/91/11/686569111.db2.gz WPWKYBIILUZQAV-RYUDHWBXSA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001072272780 686569068 /nfs/dbraw/zinc/56/90/68/686569068.db2.gz WPWKYBIILUZQAV-VXGBXAGGSA-N 1 0 325.413 -1.026 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072285145 686571555 /nfs/dbraw/zinc/57/15/55/686571555.db2.gz RGONZZMSVFWQMR-GHMZBOCLSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072285146 686571347 /nfs/dbraw/zinc/57/13/47/686571347.db2.gz RGONZZMSVFWQMR-MNOVXSKESA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072285147 686571360 /nfs/dbraw/zinc/57/13/60/686571360.db2.gz RGONZZMSVFWQMR-QWRGUYRKSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072285148 686571205 /nfs/dbraw/zinc/57/12/05/686571205.db2.gz RGONZZMSVFWQMR-WDEREUQCSA-N 1 0 334.388 -1.529 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001072287253 686571168 /nfs/dbraw/zinc/57/11/68/686571168.db2.gz UJGKIWIVSUPWDA-NEPJUHHUSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001072287254 686571406 /nfs/dbraw/zinc/57/14/06/686571406.db2.gz UJGKIWIVSUPWDA-NWDGAFQWSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001072287255 686571483 /nfs/dbraw/zinc/57/14/83/686571483.db2.gz UJGKIWIVSUPWDA-RYUDHWBXSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001072287256 686571648 /nfs/dbraw/zinc/57/16/48/686571648.db2.gz UJGKIWIVSUPWDA-VXGBXAGGSA-N 1 0 348.469 -1.161 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072289045 686571605 /nfs/dbraw/zinc/57/16/05/686571605.db2.gz VIDSWNCALWWDLH-GHMZBOCLSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072289046 686571063 /nfs/dbraw/zinc/57/10/63/686571063.db2.gz VIDSWNCALWWDLH-MNOVXSKESA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072289047 686571626 /nfs/dbraw/zinc/57/16/26/686571626.db2.gz VIDSWNCALWWDLH-QWRGUYRKSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072289048 686571639 /nfs/dbraw/zinc/57/16/39/686571639.db2.gz VIDSWNCALWWDLH-WDEREUQCSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072295237 686571842 /nfs/dbraw/zinc/57/18/42/686571842.db2.gz BLJOSCVIBJIMKN-NEPJUHHUSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072295238 686572071 /nfs/dbraw/zinc/57/20/71/686572071.db2.gz BLJOSCVIBJIMKN-NWDGAFQWSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072295239 686572173 /nfs/dbraw/zinc/57/21/73/686572173.db2.gz BLJOSCVIBJIMKN-RYUDHWBXSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072295240 686571830 /nfs/dbraw/zinc/57/18/30/686571830.db2.gz BLJOSCVIBJIMKN-VXGBXAGGSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072320569 686573121 /nfs/dbraw/zinc/57/31/21/686573121.db2.gz IUPAPZQDBBFGCT-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072320570 686573296 /nfs/dbraw/zinc/57/32/96/686573296.db2.gz IUPAPZQDBBFGCT-OLZOCXBDSA-N 1 0 340.424 -1.240 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072320571 686573318 /nfs/dbraw/zinc/57/33/18/686573318.db2.gz IUPAPZQDBBFGCT-QWHCGFSZSA-N 1 0 340.424 -1.240 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072320572 686573158 /nfs/dbraw/zinc/57/31/58/686573158.db2.gz IUPAPZQDBBFGCT-STQMWFEESA-N 1 0 340.424 -1.240 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072343321 686574713 /nfs/dbraw/zinc/57/47/13/686574713.db2.gz SEIFKRLAVDYLCJ-NXEZZACHSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072343322 686574586 /nfs/dbraw/zinc/57/45/86/686574586.db2.gz SEIFKRLAVDYLCJ-UWVGGRQHSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001072343323 686574720 /nfs/dbraw/zinc/57/47/20/686574720.db2.gz SEIFKRLAVDYLCJ-VHSXEESVSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001072343324 686574504 /nfs/dbraw/zinc/57/45/04/686574504.db2.gz SEIFKRLAVDYLCJ-ZJUUUORDSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072344130 686574883 /nfs/dbraw/zinc/57/48/83/686574883.db2.gz YZWZBBFYXRVOIQ-NXEZZACHSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072344136 686574539 /nfs/dbraw/zinc/57/45/39/686574539.db2.gz YZWZBBFYXRVOIQ-UWVGGRQHSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072344138 686574553 /nfs/dbraw/zinc/57/45/53/686574553.db2.gz YZWZBBFYXRVOIQ-VHSXEESVSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001072344140 686574631 /nfs/dbraw/zinc/57/46/31/686574631.db2.gz YZWZBBFYXRVOIQ-ZJUUUORDSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001072352945 686574872 /nfs/dbraw/zinc/57/48/72/686574872.db2.gz MKRLZMVWXVHTJT-GHMZBOCLSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001072352946 686574783 /nfs/dbraw/zinc/57/47/83/686574783.db2.gz MKRLZMVWXVHTJT-MNOVXSKESA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001072352947 686574850 /nfs/dbraw/zinc/57/48/50/686574850.db2.gz MKRLZMVWXVHTJT-QWRGUYRKSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001072352948 686574446 /nfs/dbraw/zinc/57/44/46/686574446.db2.gz MKRLZMVWXVHTJT-WDEREUQCSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072388332 686576140 /nfs/dbraw/zinc/57/61/40/686576140.db2.gz UUMUBWTUEINPIK-CMPLNLGQSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072388333 686575903 /nfs/dbraw/zinc/57/59/03/686575903.db2.gz UUMUBWTUEINPIK-JQWIXIFHSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072388334 686576169 /nfs/dbraw/zinc/57/61/69/686576169.db2.gz UUMUBWTUEINPIK-PWSUYJOCSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072388335 686576118 /nfs/dbraw/zinc/57/61/18/686576118.db2.gz UUMUBWTUEINPIK-ZYHUDNBSSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072389369 686576581 /nfs/dbraw/zinc/57/65/81/686576581.db2.gz BHEIEMACEVMLRZ-AAEUAGOBSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072389370 686576606 /nfs/dbraw/zinc/57/66/06/686576606.db2.gz BHEIEMACEVMLRZ-DGCLKSJQSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072389371 686576660 /nfs/dbraw/zinc/57/66/60/686576660.db2.gz BHEIEMACEVMLRZ-WCQYABFASA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072389372 686576453 /nfs/dbraw/zinc/57/64/53/686576453.db2.gz BHEIEMACEVMLRZ-YPMHNXCESA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001072430563 686614769 /nfs/dbraw/zinc/61/47/69/686614769.db2.gz VXEXMIOXKNLIKH-GHMZBOCLSA-N 1 0 339.400 -1.635 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1nnn(C)n1 ZINC001072430564 686615080 /nfs/dbraw/zinc/61/50/80/686615080.db2.gz VXEXMIOXKNLIKH-MNOVXSKESA-N 1 0 339.400 -1.635 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1nnn(C)n1 ZINC001072430565 686615084 /nfs/dbraw/zinc/61/50/84/686615084.db2.gz VXEXMIOXKNLIKH-QWRGUYRKSA-N 1 0 339.400 -1.635 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001072430566 686615086 /nfs/dbraw/zinc/61/50/86/686615086.db2.gz VXEXMIOXKNLIKH-WDEREUQCSA-N 1 0 339.400 -1.635 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072430707 686614967 /nfs/dbraw/zinc/61/49/67/686614967.db2.gz XMCYYVQFORGBGV-NEPJUHHUSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072430708 686615040 /nfs/dbraw/zinc/61/50/40/686615040.db2.gz XMCYYVQFORGBGV-NWDGAFQWSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072430709 686614695 /nfs/dbraw/zinc/61/46/95/686614695.db2.gz XMCYYVQFORGBGV-RYUDHWBXSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072430710 686615079 /nfs/dbraw/zinc/61/50/79/686615079.db2.gz XMCYYVQFORGBGV-VXGBXAGGSA-N 1 0 343.428 -1.543 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072431811 686614918 /nfs/dbraw/zinc/61/49/18/686614918.db2.gz BATSITHAJMSILG-NEPJUHHUSA-N 1 0 328.413 -1.336 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072431812 686615000 /nfs/dbraw/zinc/61/50/00/686615000.db2.gz BATSITHAJMSILG-NWDGAFQWSA-N 1 0 328.413 -1.336 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072431813 686615062 /nfs/dbraw/zinc/61/50/62/686615062.db2.gz BATSITHAJMSILG-RYUDHWBXSA-N 1 0 328.413 -1.336 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072431814 686615074 /nfs/dbraw/zinc/61/50/74/686615074.db2.gz BATSITHAJMSILG-VXGBXAGGSA-N 1 0 328.413 -1.336 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cn1cnnn1 ZINC001072431915 686615067 /nfs/dbraw/zinc/61/50/67/686615067.db2.gz BWYUPFXZLYXXOR-NEPJUHHUSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC001072431916 686614734 /nfs/dbraw/zinc/61/47/34/686614734.db2.gz BWYUPFXZLYXXOR-NWDGAFQWSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cn1cnnn1 ZINC001072431917 686615069 /nfs/dbraw/zinc/61/50/69/686615069.db2.gz BWYUPFXZLYXXOR-RYUDHWBXSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC001072431918 686614977 /nfs/dbraw/zinc/61/49/77/686614977.db2.gz BWYUPFXZLYXXOR-VXGBXAGGSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC001072432027 686615043 /nfs/dbraw/zinc/61/50/43/686615043.db2.gz DJRMUXJPLCLVOR-NEPJUHHUSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001072432028 686614843 /nfs/dbraw/zinc/61/48/43/686614843.db2.gz DJRMUXJPLCLVOR-NWDGAFQWSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC001072432029 686614983 /nfs/dbraw/zinc/61/49/83/686614983.db2.gz DJRMUXJPLCLVOR-RYUDHWBXSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001072432030 686614798 /nfs/dbraw/zinc/61/47/98/686614798.db2.gz DJRMUXJPLCLVOR-VXGBXAGGSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC001072432043 686614925 /nfs/dbraw/zinc/61/49/25/686614925.db2.gz DPQQNAPSIFJCQS-NEPJUHHUSA-N 1 0 338.412 -1.112 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001072432044 686615049 /nfs/dbraw/zinc/61/50/49/686615049.db2.gz DPQQNAPSIFJCQS-NWDGAFQWSA-N 1 0 338.412 -1.112 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC001072432045 686615071 /nfs/dbraw/zinc/61/50/71/686615071.db2.gz DPQQNAPSIFJCQS-RYUDHWBXSA-N 1 0 338.412 -1.112 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001072432046 686614777 /nfs/dbraw/zinc/61/47/77/686614777.db2.gz DPQQNAPSIFJCQS-VXGBXAGGSA-N 1 0 338.412 -1.112 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CCNC(N)=O ZINC001072432267 686614913 /nfs/dbraw/zinc/61/49/13/686614913.db2.gz HBFGFQSCKVCECQ-NEPJUHHUSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CCNC(N)=O ZINC001072432268 686614899 /nfs/dbraw/zinc/61/48/99/686614899.db2.gz HBFGFQSCKVCECQ-NWDGAFQWSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CCNC(N)=O ZINC001072432269 686614942 /nfs/dbraw/zinc/61/49/42/686614942.db2.gz HBFGFQSCKVCECQ-RYUDHWBXSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CCNC(N)=O ZINC001072432270 686614858 /nfs/dbraw/zinc/61/48/58/686614858.db2.gz HBFGFQSCKVCECQ-VXGBXAGGSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1cnn(C)n1 ZINC001072432387 686614839 /nfs/dbraw/zinc/61/48/39/686614839.db2.gz IODNOYVWIPONDU-AAEUAGOBSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001072432388 686614684 /nfs/dbraw/zinc/61/46/84/686614684.db2.gz IODNOYVWIPONDU-DGCLKSJQSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001072432389 686614973 /nfs/dbraw/zinc/61/49/73/686614973.db2.gz IODNOYVWIPONDU-WCQYABFASA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1cnn(C)n1 ZINC001072432390 686614811 /nfs/dbraw/zinc/61/48/11/686614811.db2.gz IODNOYVWIPONDU-YPMHNXCESA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cn1ncnn1 ZINC001072432535 686615033 /nfs/dbraw/zinc/61/50/33/686615033.db2.gz JUYKGMYLARMKQU-NEPJUHHUSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC001072432536 686614906 /nfs/dbraw/zinc/61/49/06/686614906.db2.gz JUYKGMYLARMKQU-NWDGAFQWSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cn1ncnn1 ZINC001072432537 686614804 /nfs/dbraw/zinc/61/48/04/686614804.db2.gz JUYKGMYLARMKQU-RYUDHWBXSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC001072432538 686614673 /nfs/dbraw/zinc/61/46/73/686614673.db2.gz JUYKGMYLARMKQU-VXGBXAGGSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CS(C)(=O)=O ZINC001072432591 686614791 /nfs/dbraw/zinc/61/47/91/686614791.db2.gz KLJKBYAHPQZXJB-NEPJUHHUSA-N 1 0 349.453 -1.428 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001072432592 686614867 /nfs/dbraw/zinc/61/48/67/686614867.db2.gz KLJKBYAHPQZXJB-NWDGAFQWSA-N 1 0 349.453 -1.428 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CS(C)(=O)=O ZINC001072432593 686615053 /nfs/dbraw/zinc/61/50/53/686615053.db2.gz KLJKBYAHPQZXJB-RYUDHWBXSA-N 1 0 349.453 -1.428 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001072432594 686614726 /nfs/dbraw/zinc/61/47/26/686614726.db2.gz KLJKBYAHPQZXJB-VXGBXAGGSA-N 1 0 349.453 -1.428 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cn1nccn1 ZINC001072432655 686614828 /nfs/dbraw/zinc/61/48/28/686614828.db2.gz LBDRBJBLSILBQN-CHWSQXEVSA-N 1 0 338.412 -1.181 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cn1nccn1 ZINC001072432656 686615056 /nfs/dbraw/zinc/61/50/56/686615056.db2.gz LBDRBJBLSILBQN-OLZOCXBDSA-N 1 0 338.412 -1.181 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cn1nccn1 ZINC001072432657 686614999 /nfs/dbraw/zinc/61/49/99/686614999.db2.gz LBDRBJBLSILBQN-QWHCGFSZSA-N 1 0 338.412 -1.181 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)Cn1nccn1 ZINC001072432658 686615036 /nfs/dbraw/zinc/61/50/36/686615036.db2.gz LBDRBJBLSILBQN-STQMWFEESA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001072432775 686614655 /nfs/dbraw/zinc/61/46/55/686614655.db2.gz MOOHKBSZYQYSLU-NEPJUHHUSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001072432776 686615009 /nfs/dbraw/zinc/61/50/09/686615009.db2.gz MOOHKBSZYQYSLU-NWDGAFQWSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001072432777 686615082 /nfs/dbraw/zinc/61/50/82/686615082.db2.gz MOOHKBSZYQYSLU-RYUDHWBXSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001072432778 686615065 /nfs/dbraw/zinc/61/50/65/686615065.db2.gz MOOHKBSZYQYSLU-VXGBXAGGSA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC001072432819 686614699 /nfs/dbraw/zinc/61/46/99/686614699.db2.gz NGVQHRSUMLBTBW-NEPJUHHUSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001072432820 686614719 /nfs/dbraw/zinc/61/47/19/686614719.db2.gz NGVQHRSUMLBTBW-NWDGAFQWSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC001072432821 686615534 /nfs/dbraw/zinc/61/55/34/686615534.db2.gz NGVQHRSUMLBTBW-RYUDHWBXSA-N 1 0 338.412 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001072432822 686615560 /nfs/dbraw/zinc/61/55/60/686615560.db2.gz NGVQHRSUMLBTBW-VXGBXAGGSA-N 1 0 338.412 -1.030 20 0 EAADRO COC(=O)NCC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072432871 686615589 /nfs/dbraw/zinc/61/55/89/686615589.db2.gz NUKVWVUDXVGELO-NEPJUHHUSA-N 1 0 344.412 -1.116 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072432872 686615610 /nfs/dbraw/zinc/61/56/10/686615610.db2.gz NUKVWVUDXVGELO-NWDGAFQWSA-N 1 0 344.412 -1.116 20 0 EAADRO COC(=O)NCC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072432873 686615401 /nfs/dbraw/zinc/61/54/01/686615401.db2.gz NUKVWVUDXVGELO-RYUDHWBXSA-N 1 0 344.412 -1.116 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072432874 686615621 /nfs/dbraw/zinc/61/56/21/686615621.db2.gz NUKVWVUDXVGELO-VXGBXAGGSA-N 1 0 344.412 -1.116 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001072432959 686615567 /nfs/dbraw/zinc/61/55/67/686615567.db2.gz OUMAQRGQBPPCHZ-GHMZBOCLSA-N 1 0 329.401 -1.804 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CNC(N)=O ZINC001072432960 686615572 /nfs/dbraw/zinc/61/55/72/686615572.db2.gz OUMAQRGQBPPCHZ-MNOVXSKESA-N 1 0 329.401 -1.804 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CNC(N)=O ZINC001072432961 686615336 /nfs/dbraw/zinc/61/53/36/686615336.db2.gz OUMAQRGQBPPCHZ-QWRGUYRKSA-N 1 0 329.401 -1.804 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001072432962 686615668 /nfs/dbraw/zinc/61/56/68/686615668.db2.gz OUMAQRGQBPPCHZ-WDEREUQCSA-N 1 0 329.401 -1.804 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC001072433327 686615644 /nfs/dbraw/zinc/61/56/44/686615644.db2.gz URSXMZKPYBMSJK-NEPJUHHUSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001072433328 686615655 /nfs/dbraw/zinc/61/56/55/686615655.db2.gz URSXMZKPYBMSJK-NWDGAFQWSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC001072433329 686615279 /nfs/dbraw/zinc/61/52/79/686615279.db2.gz URSXMZKPYBMSJK-RYUDHWBXSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001072433330 686615494 /nfs/dbraw/zinc/61/54/94/686615494.db2.gz URSXMZKPYBMSJK-VXGBXAGGSA-N 1 0 340.424 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C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072499059 686620622 /nfs/dbraw/zinc/62/06/22/686620622.db2.gz RRVISYBDESKZRN-QWHCGFSZSA-N 1 0 339.440 -1.667 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072499060 686620655 /nfs/dbraw/zinc/62/06/55/686620655.db2.gz RRVISYBDESKZRN-STQMWFEESA-N 1 0 339.440 -1.667 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072515433 686622557 /nfs/dbraw/zinc/62/25/57/686622557.db2.gz IGABJCSIYVYLRC-NEPJUHHUSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072515441 686622530 /nfs/dbraw/zinc/62/25/30/686622530.db2.gz IGABJCSIYVYLRC-NWDGAFQWSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072515442 686622599 /nfs/dbraw/zinc/62/25/99/686622599.db2.gz IGABJCSIYVYLRC-RYUDHWBXSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072515443 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Cn1cc(C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)nn1 ZINC001072694642 686637414 /nfs/dbraw/zinc/63/74/14/686637414.db2.gz FZHPVRXKTYYMMU-LLVKDONJSA-N 1 0 332.364 -1.232 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C3)nn1 ZINC001072694643 686637369 /nfs/dbraw/zinc/63/73/69/686637369.db2.gz FZHPVRXKTYYMMU-NSHDSACASA-N 1 0 332.364 -1.232 20 0 EAADRO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C3)n1 ZINC001072694655 686637888 /nfs/dbraw/zinc/63/78/88/686637888.db2.gz GMPLWTOULALNHA-JTQLQIEISA-N 1 0 332.364 -1.232 20 0 EAADRO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)n1 ZINC001072694656 686637572 /nfs/dbraw/zinc/63/75/72/686637572.db2.gz GMPLWTOULALNHA-SNVBAGLBSA-N 1 0 332.364 -1.232 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CCN2CCNC2=O)C3)nn1 ZINC001072695143 686637746 /nfs/dbraw/zinc/63/77/46/686637746.db2.gz NVUBGEGFXISPIJ-UHFFFAOYSA-N 1 0 333.396 -1.012 20 0 EAADRO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+](CCN2CCNC2=O)C3)n1 ZINC001072695654 686637771 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348.407 -1.039 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001072740582 686638683 /nfs/dbraw/zinc/63/86/83/686638683.db2.gz BFPQHBXCRNUIJB-UHFFFAOYSA-N 1 0 334.384 -1.767 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072740688 686638771 /nfs/dbraw/zinc/63/87/71/686638771.db2.gz GCRHGVUFBMHBMO-JTQLQIEISA-N 1 0 333.352 -1.987 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072740689 686638590 /nfs/dbraw/zinc/63/85/90/686638590.db2.gz GCRHGVUFBMHBMO-SNVBAGLBSA-N 1 0 333.352 -1.987 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)C1=O ZINC001072740700 686638460 /nfs/dbraw/zinc/63/84/60/686638460.db2.gz GIZRPFTZBBKPAJ-GFCCVEGCSA-N 1 0 333.396 -1.172 20 0 EAADRO CN1CCC[C@H]([N@@H+]2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)C1=O ZINC001072740701 686638260 /nfs/dbraw/zinc/63/82/60/686638260.db2.gz GIZRPFTZBBKPAJ-LBPRGKRZSA-N 1 0 333.396 -1.172 20 0 EAADRO CN(C(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1)C1CC1 ZINC001072740792 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C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073904770 686728148 /nfs/dbraw/zinc/72/81/48/686728148.db2.gz NBHZPFDWDDBUCV-RYUDHWBXSA-N 1 0 326.397 -1.075 20 0 EAADRO C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073904771 686727923 /nfs/dbraw/zinc/72/79/23/686727923.db2.gz NBHZPFDWDDBUCV-VXGBXAGGSA-N 1 0 326.397 -1.075 20 0 EAADRO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)n(C)c1=O ZINC001073905066 686728057 /nfs/dbraw/zinc/72/80/57/686728057.db2.gz UKCYKYKZRLGDOS-GFCCVEGCSA-N 1 0 326.397 -1.073 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)n(C)c1=O ZINC001073905067 686728133 /nfs/dbraw/zinc/72/81/33/686728133.db2.gz UKCYKYKZRLGDOS-LBPRGKRZSA-N 1 0 326.397 -1.073 20 0 EAADRO C[N@H+](C[C@H]1CCCCN1C(=O)Cn1cnnn1)[C@H]1CCC(=O)NC1=O ZINC001073944743 686730559 /nfs/dbraw/zinc/73/05/59/686730559.db2.gz JSYTYUMAVBIIRT-NEPJUHHUSA-N 1 0 349.395 -1.209 20 0 EAADRO C[N@H+](C[C@H]1CCCCN1C(=O)Cn1cnnn1)[C@@H]1CCC(=O)NC1=O ZINC001073944744 686730525 /nfs/dbraw/zinc/73/05/25/686730525.db2.gz JSYTYUMAVBIIRT-VXGBXAGGSA-N 1 0 349.395 -1.209 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001073977870 686733366 /nfs/dbraw/zinc/73/33/66/686733366.db2.gz VPWSAKIQUAUBOZ-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001073977871 686733598 /nfs/dbraw/zinc/73/35/98/686733598.db2.gz VPWSAKIQUAUBOZ-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001073977872 686733349 /nfs/dbraw/zinc/73/33/49/686733349.db2.gz VPWSAKIQUAUBOZ-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001073977873 686733534 /nfs/dbraw/zinc/73/35/34/686733534.db2.gz VPWSAKIQUAUBOZ-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO C[N@H+](C[C@H]1CCCCN1C(=O)Cn1ncnn1)[C@H]1CCC(=O)NC1=O ZINC001074015539 686735263 /nfs/dbraw/zinc/73/52/63/686735263.db2.gz CIDXUVNAKCLDSE-NEPJUHHUSA-N 1 0 349.395 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ZINC001074078982 686738177 /nfs/dbraw/zinc/73/81/77/686738177.db2.gz HDNOPALOMUFETE-RYUDHWBXSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)COCC[NH+](C)C ZINC001074078983 686738267 /nfs/dbraw/zinc/73/82/67/686738267.db2.gz HDNOPALOMUFETE-VXGBXAGGSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1NC(=O)COCC[NH+](C)C ZINC001074079853 686738019 /nfs/dbraw/zinc/73/80/19/686738019.db2.gz NRAHEKNTFUCRAI-NEPJUHHUSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1NC(=O)COCC[NH+](C)C ZINC001074079855 686738188 /nfs/dbraw/zinc/73/81/88/686738188.db2.gz NRAHEKNTFUCRAI-NWDGAFQWSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1NC(=O)COCC[NH+](C)C ZINC001074079857 686738284 /nfs/dbraw/zinc/73/82/84/686738284.db2.gz NRAHEKNTFUCRAI-RYUDHWBXSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1NC(=O)COCC[NH+](C)C ZINC001074079859 686738301 /nfs/dbraw/zinc/73/83/01/686738301.db2.gz NRAHEKNTFUCRAI-VXGBXAGGSA-N 1 0 343.428 -1.414 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001074157432 686741258 /nfs/dbraw/zinc/74/12/58/686741258.db2.gz QIRYQEKGZNOZIQ-AAEUAGOBSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001074157433 686741261 /nfs/dbraw/zinc/74/12/61/686741261.db2.gz QIRYQEKGZNOZIQ-DGCLKSJQSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001074157434 686741215 /nfs/dbraw/zinc/74/12/15/686741215.db2.gz QIRYQEKGZNOZIQ-WCQYABFASA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001074157435 686741164 /nfs/dbraw/zinc/74/11/64/686741164.db2.gz QIRYQEKGZNOZIQ-YPMHNXCESA-N 1 0 340.424 -1.064 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001074196688 686745572 /nfs/dbraw/zinc/74/55/72/686745572.db2.gz ATXFKYKLHVKRCQ-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO 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CC(=O)NCC(=O)N1CCC(O)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001074430438 686769190 /nfs/dbraw/zinc/76/91/90/686769190.db2.gz OODKLQHDSCFHSQ-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074430479 686769275 /nfs/dbraw/zinc/76/92/75/686769275.db2.gz QFASDQLRVKFCHE-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)CNC(C)=O)CC1 ZINC001074430618 686769110 /nfs/dbraw/zinc/76/91/10/686769110.db2.gz QOBMULUIYSXVPC-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)CNC(C)=O)CC1 ZINC001074430739 686769198 /nfs/dbraw/zinc/76/91/98/686769198.db2.gz VKEOKCPWACAUQN-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)N1CCC(O)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001074431188 686769396 /nfs/dbraw/zinc/76/93/96/686769396.db2.gz AWFVTLBPDVXMOU-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO CC(=O)NCC(=O)N1CCC(O)(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001074431773 686769350 /nfs/dbraw/zinc/76/93/50/686769350.db2.gz 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EAADRO CNC(=O)CC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074593104 686800550 /nfs/dbraw/zinc/80/05/50/686800550.db2.gz HRRJHHGHURTYFD-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CNC(=O)CNC(N)=O)CC2)C1 ZINC001074593165 686800363 /nfs/dbraw/zinc/80/03/63/686800363.db2.gz JKGFWWMYFGOFJS-LLVKDONJSA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CNC(=O)CNC(N)=O)CC2)C1 ZINC001074593166 686800228 /nfs/dbraw/zinc/80/02/28/686800228.db2.gz JKGFWWMYFGOFJS-NSHDSACASA-N 1 0 341.412 -1.924 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CNC(=O)c3cn[nH]n3)CC2)C1 ZINC001074593214 686800694 /nfs/dbraw/zinc/80/06/94/686800694.db2.gz KLMSFFIMWQNFHZ-LLVKDONJSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CNC(=O)c3cn[nH]n3)CC2)C1 ZINC001074593215 686800135 /nfs/dbraw/zinc/80/01/35/686800135.db2.gz KLMSFFIMWQNFHZ-NSHDSACASA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CNC(=O)c3nnc[nH]3)CC2)C1 ZINC001074593325 686801543 /nfs/dbraw/zinc/80/15/43/686801543.db2.gz OICUTHDRRMYESN-LLVKDONJSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CNC(=O)c3nnc[nH]3)CC2)C1 ZINC001074593326 686801504 /nfs/dbraw/zinc/80/15/04/686801504.db2.gz OICUTHDRRMYESN-NSHDSACASA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)C1 ZINC001074593340 686801455 /nfs/dbraw/zinc/80/14/55/686801455.db2.gz OPUCMFAQNXVPAN-LLVKDONJSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)C1 ZINC001074593341 686801208 /nfs/dbraw/zinc/80/12/08/686801208.db2.gz OPUCMFAQNXVPAN-NSHDSACASA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)NCC(=O)NCC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001074593939 686801422 /nfs/dbraw/zinc/80/14/22/686801422.db2.gz CXQJHZMYNVQLBS-UHFFFAOYSA-N 1 0 341.412 -1.780 20 0 EAADRO CNC(=O)CC(=O)NCC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001074594159 686801135 /nfs/dbraw/zinc/80/11/35/686801135.db2.gz NMKGSTOQBDVIEY-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001074594278 686801314 /nfs/dbraw/zinc/80/13/14/686801314.db2.gz STAMTZHVGMAGEB-UHFFFAOYSA-N 1 0 326.397 -1.573 20 0 EAADRO CC(=O)NCC(=O)NCC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001074594374 686801475 /nfs/dbraw/zinc/80/14/75/686801475.db2.gz XBFLGGNNAUEGOP-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CCC(O)(CNC(=O)c2cn[nH]n2)CC1 ZINC001074594441 686801584 /nfs/dbraw/zinc/80/15/84/686801584.db2.gz ZZSJXFAYWUBKNW-UHFFFAOYSA-N 1 0 336.396 -1.016 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)CC(=O)NC)CC1 ZINC001074594988 686801148 /nfs/dbraw/zinc/80/11/48/686801148.db2.gz CXTROFXYOGWPAJ-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)CNC(C)=O)CC1 ZINC001074595963 686802411 /nfs/dbraw/zinc/80/24/11/686802411.db2.gz DFUFNYUJCLRUIG-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)CNC(N)=O)CC1 ZINC001074596243 686802149 /nfs/dbraw/zinc/80/21/49/686802149.db2.gz NOHBWBUROMUSFV-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 ZINC001074596350 686802993 /nfs/dbraw/zinc/80/29/93/686802993.db2.gz RDDUFNKTGGDKCP-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001074596449 686802795 /nfs/dbraw/zinc/80/27/95/686802795.db2.gz UZILHINQHTUMLB-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO NC(=O)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001074596929 686802840 /nfs/dbraw/zinc/80/28/40/686802840.db2.gz DKDLWBYJZLUWJN-GFCCVEGCSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)C(=O)NCC1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001074596930 686803118 /nfs/dbraw/zinc/80/31/18/686803118.db2.gz DKDLWBYJZLUWJN-LBPRGKRZSA-N 1 0 338.408 -1.717 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)Cn2nccn2)CC1 ZINC001074598675 686803822 /nfs/dbraw/zinc/80/38/22/686803822.db2.gz BMAXKYDJPATFCS-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001074600631 686804680 /nfs/dbraw/zinc/80/46/80/686804680.db2.gz ZJDVRDNPIPJNCJ-AXFHLTTASA-N 1 0 336.396 -1.286 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001074600632 686804120 /nfs/dbraw/zinc/80/41/20/686804120.db2.gz ZJDVRDNPIPJNCJ-DCAQKATOSA-N 1 0 336.396 -1.286 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001074603384 686804154 /nfs/dbraw/zinc/80/41/54/686804154.db2.gz HPIJESZVOXILQO-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)CC[N@@H+]1C ZINC001074603793 686804298 /nfs/dbraw/zinc/80/42/98/686804298.db2.gz YTHMNJXCAUSXDS-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001074604674 686804237 /nfs/dbraw/zinc/80/42/37/686804237.db2.gz KOVSGGGUPYHBTL-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074610102 686804405 /nfs/dbraw/zinc/80/44/05/686804405.db2.gz ICOXAOXMVLBPTG-LLVKDONJSA-N 1 0 346.403 -1.379 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074610103 686804573 /nfs/dbraw/zinc/80/45/73/686804573.db2.gz ICOXAOXMVLBPTG-NSHDSACASA-N 1 0 346.403 -1.379 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)CN1CCOCC1 ZINC001074611231 686804944 /nfs/dbraw/zinc/80/49/44/686804944.db2.gz NUKNCCYSFGDEJQ-AVGNSLFASA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)CN1CCOCC1 ZINC001074611233 686805578 /nfs/dbraw/zinc/80/55/78/686805578.db2.gz NUKNCCYSFGDEJQ-RWMBFGLXSA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1COCCN1C ZINC001074612721 686805622 /nfs/dbraw/zinc/80/56/22/686805622.db2.gz MFTMQACCLNZYLI-SDDRHHMPSA-N 1 0 338.412 -1.482 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1COCCN1C ZINC001074612722 686805333 /nfs/dbraw/zinc/80/53/33/686805333.db2.gz MFTMQACCLNZYLI-SRVKXCTJSA-N 1 0 338.412 -1.482 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1COCCN1C ZINC001074612825 686805312 /nfs/dbraw/zinc/80/53/12/686805312.db2.gz SPDNXZKYFNNYRZ-IHRRRGAJSA-N 1 0 339.440 -1.079 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1COCCN1C ZINC001074612826 686805358 /nfs/dbraw/zinc/80/53/58/686805358.db2.gz SPDNXZKYFNNYRZ-MELADBBJSA-N 1 0 339.440 -1.079 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C)n1cncn1 ZINC001074613861 686805088 /nfs/dbraw/zinc/80/50/88/686805088.db2.gz MSZGXPWCQLAGNR-SRVKXCTJSA-N 1 0 349.395 -1.030 20 0 EAADRO C[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C)n1cncn1 ZINC001074613862 686805377 /nfs/dbraw/zinc/80/53/77/686805377.db2.gz MSZGXPWCQLAGNR-TUAOUCFPSA-N 1 0 349.395 -1.030 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)CN1CN=NC1=O ZINC001074614895 686805013 /nfs/dbraw/zinc/80/50/13/686805013.db2.gz RBOSIEPSTPNCPB-GUBZILKMSA-N 1 0 336.352 -1.632 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)CN1CN=NC1=O ZINC001074614896 686804998 /nfs/dbraw/zinc/80/49/98/686804998.db2.gz RBOSIEPSTPNCPB-LPEHRKFASA-N 1 0 336.352 -1.632 20 0 EAADRO CNC(=O)NCC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074616714 686805557 /nfs/dbraw/zinc/80/55/57/686805557.db2.gz CCBCOLFVOYQEEM-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074616796 686806251 /nfs/dbraw/zinc/80/62/51/686806251.db2.gz FIXLEGGWNFMOLK-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074616797 686806043 /nfs/dbraw/zinc/80/60/43/686806043.db2.gz FIXLEGGWNFMOLK-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 ZINC001074617716 686807139 /nfs/dbraw/zinc/80/71/39/686807139.db2.gz ADDXUJKTMZQZIG-UHFFFAOYSA-N 1 0 328.413 -1.328 20 0 EAADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074617835 686806769 /nfs/dbraw/zinc/80/67/69/686806769.db2.gz HKYSHZXDXQEYOI-RYUDHWBXSA-N 1 0 340.424 -1.186 20 0 EAADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074617836 686806499 /nfs/dbraw/zinc/80/64/99/686806499.db2.gz HKYSHZXDXQEYOI-TXEJJXNPSA-N 1 0 340.424 -1.186 20 0 EAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074617837 686807255 /nfs/dbraw/zinc/80/72/55/686807255.db2.gz HKYSHZXDXQEYOI-VXGBXAGGSA-N 1 0 340.424 -1.186 20 0 EAADRO NC(=O)C(=O)NCC1(O)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001074617880 686806489 /nfs/dbraw/zinc/80/64/89/686806489.db2.gz IYNIQGQZCHZKKC-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074617974 686806422 /nfs/dbraw/zinc/80/64/22/686806422.db2.gz PMLRKQKQCNUXOJ-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074617975 686807116 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C[NH+](C)[C@H](C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1)C1CC1 ZINC001074619050 686806931 /nfs/dbraw/zinc/80/69/31/686806931.db2.gz GAXGDUYADRYJRK-AWEZNQCLSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1)C1CC1 ZINC001074619051 686806913 /nfs/dbraw/zinc/80/69/13/686806913.db2.gz GAXGDUYADRYJRK-CQSZACIVSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1)C1CC1 ZINC001074619215 686806894 /nfs/dbraw/zinc/80/68/94/686806894.db2.gz LMSKHXLJXSMSOJ-LLVKDONJSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1)C1CC1 ZINC001074619216 686807046 /nfs/dbraw/zinc/80/70/46/686807046.db2.gz LMSKHXLJXSMSOJ-NSHDSACASA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)C1(C(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)CCC1 ZINC001074619359 686806801 /nfs/dbraw/zinc/80/68/01/686806801.db2.gz PQDLJULYQBLMIY-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC001074620245 686806482 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ZINC001074628937 686808377 /nfs/dbraw/zinc/80/83/77/686808377.db2.gz SSHFQVBNYOAOQS-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO COCC(=O)NCC1(O)CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001074629484 686808398 /nfs/dbraw/zinc/80/83/98/686808398.db2.gz AFKXIFUUMIRHLM-CHWSQXEVSA-N 1 0 343.424 -1.178 20 0 EAADRO NC(=O)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001074629589 686808673 /nfs/dbraw/zinc/80/86/73/686808673.db2.gz GMUYXRPWFGBZEA-NXEZZACHSA-N 1 0 335.364 -1.532 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001074629778 686809008 /nfs/dbraw/zinc/80/90/08/686809008.db2.gz OLTNRYNDZYEFRJ-GHMZBOCLSA-N 1 0 349.391 -1.142 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)O1 ZINC001074629936 686808767 /nfs/dbraw/zinc/80/87/67/686808767.db2.gz VIPZIFKQESKDKH-GHMZBOCLSA-N 1 0 342.396 -2.340 20 0 EAADRO CC[C@H](C(=O)N1CCC(O)(CNC(=O)CNC(C)=O)CC1)[NH+](C)C ZINC001074630044 686808825 /nfs/dbraw/zinc/80/88/25/686808825.db2.gz ZHCJSBLUYZTOIH-CYBMUJFWSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N1CCC(O)(CNC(=O)CC(=O)NC)CC1)[NH+](C)C ZINC001074630431 686808276 /nfs/dbraw/zinc/80/82/76/686808276.db2.gz MTMIMFKVZCPOTG-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N1CCC(O)(CNC(=O)CNC(N)=O)CC1)[NH+](C)C ZINC001074630485 686808890 /nfs/dbraw/zinc/80/88/90/686808890.db2.gz OQFTWAIJJSINNY-LLVKDONJSA-N 1 0 343.428 -1.535 20 0 EAADRO CC[C@H](C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001074630660 686808309 /nfs/dbraw/zinc/80/83/09/686808309.db2.gz VAHAPBBBILCYRM-LLVKDONJSA-N 1 0 328.413 -1.328 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1COC(=O)N1 ZINC001074631415 686808946 /nfs/dbraw/zinc/80/89/46/686808946.db2.gz PDNFYBKKPGOHKN-DCAQKATOSA-N 1 0 325.369 -1.301 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1COC(=O)N1 ZINC001074631416 686808930 /nfs/dbraw/zinc/80/89/30/686808930.db2.gz PDNFYBKKPGOHKN-GARJFASQSA-N 1 0 325.369 -1.301 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1COC(=O)N1 ZINC001074631521 686809359 /nfs/dbraw/zinc/80/93/59/686809359.db2.gz UHYNRTHEYPMKBR-DCAQKATOSA-N 1 0 338.364 -1.177 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@H]1COC(=O)N1 ZINC001074631522 686809932 /nfs/dbraw/zinc/80/99/32/686809932.db2.gz UHYNRTHEYPMKBR-GARJFASQSA-N 1 0 338.364 -1.177 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@@H]1COC(=O)N1 ZINC001074631531 686809341 /nfs/dbraw/zinc/80/93/41/686809341.db2.gz UQHGTKVKZPTBKT-GUBZILKMSA-N 1 0 339.352 -1.774 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@H]1COC(=O)N1 ZINC001074631532 686809924 /nfs/dbraw/zinc/80/99/24/686809924.db2.gz UQHGTKVKZPTBKT-LPEHRKFASA-N 1 0 339.352 -1.774 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@H]1COC(=O)N1 ZINC001074631545 686809940 /nfs/dbraw/zinc/80/99/40/686809940.db2.gz VKMKYVFFTQHPFW-SDDRHHMPSA-N 1 0 340.380 -1.467 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@@H]1COC(=O)N1 ZINC001074631546 686809762 /nfs/dbraw/zinc/80/97/62/686809762.db2.gz VKMKYVFFTQHPFW-SRVKXCTJSA-N 1 0 340.380 -1.467 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)CC1 ZINC001074631790 686809814 /nfs/dbraw/zinc/80/98/14/686809814.db2.gz GYIGTINPBRUMOP-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC1 ZINC001074631872 686809404 /nfs/dbraw/zinc/80/94/04/686809404.db2.gz KCGHFKXBHGYRBQ-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 ZINC001074634570 686810352 /nfs/dbraw/zinc/81/03/52/686810352.db2.gz GSQVXRNTXTXVLG-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 ZINC001074634571 686810491 /nfs/dbraw/zinc/81/04/91/686810491.db2.gz GSQVXRNTXTXVLG-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074634923 686810327 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336.396 -1.160 20 0 EAADRO NC(=O)C(=O)NCC1(O)CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001074640347 686813016 /nfs/dbraw/zinc/81/30/16/686813016.db2.gz OJXSMPIQASAROE-UHFFFAOYSA-N 1 0 345.359 -1.097 20 0 EAADRO Cn1ncc(C(=O)N2CCC(O)(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001074641750 686813260 /nfs/dbraw/zinc/81/32/60/686813260.db2.gz YHOYHBIRWJZUDG-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074646026 686813760 /nfs/dbraw/zinc/81/37/60/686813760.db2.gz IETOXSAALKEXDD-UHFFFAOYSA-N 1 0 330.385 -2.480 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)C1 ZINC001074646124 686813231 /nfs/dbraw/zinc/81/32/31/686813231.db2.gz LMTZYHVIYAQEFT-GFCCVEGCSA-N 1 0 340.424 -1.327 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)C1 ZINC001074646125 686813520 /nfs/dbraw/zinc/81/35/20/686813520.db2.gz LMTZYHVIYAQEFT-LBPRGKRZSA-N 1 0 340.424 -1.327 20 0 EAADRO COCC(=O)NCC1(O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001074646380 686814344 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CC[C@@H](C(=O)N1CCC(O)(CNC(=O)CNC(N)=O)CC1)[NH+](C)C ZINC001074647213 686814579 /nfs/dbraw/zinc/81/45/79/686814579.db2.gz OQFTWAIJJSINNY-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO O=C(NCC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1cn[nH]n1 ZINC001074647246 686814104 /nfs/dbraw/zinc/81/41/04/686814104.db2.gz PSQHRCUYEGTLBX-UHFFFAOYSA-N 1 0 348.407 -1.016 20 0 EAADRO O=C(NCC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1nnc[nH]1 ZINC001074647263 686814215 /nfs/dbraw/zinc/81/42/15/686814215.db2.gz QMYYHBRPKUCMAN-UHFFFAOYSA-N 1 0 348.407 -1.016 20 0 EAADRO CC[C@@H](C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001074647345 686814461 /nfs/dbraw/zinc/81/44/61/686814461.db2.gz VAHAPBBBILCYRM-NSHDSACASA-N 1 0 328.413 -1.328 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074647352 686814561 /nfs/dbraw/zinc/81/45/61/686814561.db2.gz VIXNMIQOADDPEY-UHFFFAOYSA-N 1 0 349.391 -1.284 20 0 EAADRO NC(=O)CC(=O)NCC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001074647384 686814701 /nfs/dbraw/zinc/81/47/01/686814701.db2.gz WPDFIJAWUZDFHS-UHFFFAOYSA-N 1 0 338.408 -1.573 20 0 EAADRO CC[C@@H](C(=O)N1CCC(O)(CNC(=O)CNC(C)=O)CC1)[NH+](C)C ZINC001074647462 686814599 /nfs/dbraw/zinc/81/45/99/686814599.db2.gz ZHCJSBLUYZTOIH-ZDUSSCGKSA-N 1 0 342.440 -1.068 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001074648782 686814126 /nfs/dbraw/zinc/81/41/26/686814126.db2.gz ITWMQVQBCHMRDP-NHCYSSNCSA-N 1 0 334.380 -1.173 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001074648785 686814836 /nfs/dbraw/zinc/81/48/36/686814836.db2.gz ITWMQVQBCHMRDP-UMNHJUIQSA-N 1 0 334.380 -1.173 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CO[C@H]1CCOC1 ZINC001074650324 686814481 /nfs/dbraw/zinc/81/44/81/686814481.db2.gz HGDPYHMUFFKOSA-SRVKXCTJSA-N 1 0 339.396 -1.007 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CO[C@@H]1CCOC1 ZINC001074650325 686814079 /nfs/dbraw/zinc/81/40/79/686814079.db2.gz HGDPYHMUFFKOSA-TUAOUCFPSA-N 1 0 339.396 -1.007 20 0 EAADRO NC(=O)C(=O)NCC1(O)CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001074650965 686815043 /nfs/dbraw/zinc/81/50/43/686815043.db2.gz PRXIBCHZSNWSQM-UHFFFAOYSA-N 1 0 345.359 -1.097 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)Cn1ncnn1 ZINC001074654483 686815507 /nfs/dbraw/zinc/81/55/07/686815507.db2.gz RFKDXBXOKMBHOY-SRVKXCTJSA-N 1 0 342.425 -1.313 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CCN1C(=O)Cn1ncnn1 ZINC001074654484 686815366 /nfs/dbraw/zinc/81/53/66/686815366.db2.gz RFKDXBXOKMBHOY-TUAOUCFPSA-N 1 0 342.425 -1.313 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001074655344 686815346 /nfs/dbraw/zinc/81/53/46/686815346.db2.gz JKRPCGLGBSBZNT-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074655695 686815387 /nfs/dbraw/zinc/81/53/87/686815387.db2.gz XGTPCLDYGGTMHP-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CNC(N)=O)CC1 ZINC001074656195 686815527 /nfs/dbraw/zinc/81/55/27/686815527.db2.gz ATAMSCZJBPTTFS-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CNC(C)=O)CC1 ZINC001074656223 686815177 /nfs/dbraw/zinc/81/51/77/686815177.db2.gz CCPKRBZIMPADLQ-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 ZINC001074656236 686815374 /nfs/dbraw/zinc/81/53/74/686815374.db2.gz CSIYJMIDOJHRDQ-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO CC(C)[C@H](C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001074656617 686816070 /nfs/dbraw/zinc/81/60/70/686816070.db2.gz STXRAVZQGONTHL-CQSZACIVSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[C@H](C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1)[NH+](C)C ZINC001074656682 686816574 /nfs/dbraw/zinc/81/65/74/686816574.db2.gz VXCHNAQJXCQTQG-LLVKDONJSA-N 1 0 328.413 -1.472 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CC(=O)NC)CC1 ZINC001074656720 686815853 /nfs/dbraw/zinc/81/58/53/686815853.db2.gz WXPKGZKYDCGLMU-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074656789 686815881 /nfs/dbraw/zinc/81/58/81/686815881.db2.gz ZLLLWBBDYCQCNC-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO NC(=O)C(=O)NCC1(O)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001074657605 686816398 /nfs/dbraw/zinc/81/63/98/686816398.db2.gz TXAJSHXUWXOLLN-HNNXBMFYSA-N 1 0 338.408 -1.573 20 0 EAADRO CC(C)(C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1)[NH+]1CCCC1 ZINC001074658602 686816012 /nfs/dbraw/zinc/81/60/12/686816012.db2.gz RLMHDWWRMTWOIY-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074659551 686817212 /nfs/dbraw/zinc/81/72/12/686817212.db2.gz LGPGNLPVQLAAQM-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074659552 686817398 /nfs/dbraw/zinc/81/73/98/686817398.db2.gz LGPGNLPVQLAAQM-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001074659903 686817070 /nfs/dbraw/zinc/81/70/70/686817070.db2.gz QZAGPPMKMORCOM-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001074659904 686817160 /nfs/dbraw/zinc/81/71/60/686817160.db2.gz QZAGPPMKMORCOM-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001074660084 686817353 /nfs/dbraw/zinc/81/73/53/686817353.db2.gz RGYPLNYPAPGDMF-DCAQKATOSA-N 1 0 349.395 -1.765 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001074660088 686816985 /nfs/dbraw/zinc/81/69/85/686816985.db2.gz RGYPLNYPAPGDMF-GARJFASQSA-N 1 0 349.395 -1.765 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001074660258 686818130 /nfs/dbraw/zinc/81/81/30/686818130.db2.gz YYIVWQQATRKWMX-GUBZILKMSA-N 1 0 335.368 -2.156 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001074660259 686817608 /nfs/dbraw/zinc/81/76/08/686817608.db2.gz YYIVWQQATRKWMX-LPEHRKFASA-N 1 0 335.368 -2.156 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C)C(N)=O ZINC001074663039 686818636 /nfs/dbraw/zinc/81/86/36/686818636.db2.gz ABZUFNRWNSCUQU-AEJSXWLSSA-N 1 0 337.384 -1.780 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C)C(N)=O ZINC001074663040 686818660 /nfs/dbraw/zinc/81/86/60/686818660.db2.gz ABZUFNRWNSCUQU-GUBZILKMSA-N 1 0 337.384 -1.780 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCOC2)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001074663043 686818411 /nfs/dbraw/zinc/81/84/11/686818411.db2.gz AQHICDOMXFAQRX-SRVKXCTJSA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H]2CCOC2)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001074663044 686818479 /nfs/dbraw/zinc/81/84/79/686818479.db2.gz AQHICDOMXFAQRX-TUAOUCFPSA-N 1 0 336.396 -1.008 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001074663154 686818419 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JRGJJCIWMMGWBC-LSJOCFKGSA-N 1 0 343.405 -1.585 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001074666645 686818835 /nfs/dbraw/zinc/81/88/35/686818835.db2.gz SVPGVZUFMHQSKM-DLOVCJGASA-N 1 0 329.422 -1.111 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001074666646 686818502 /nfs/dbraw/zinc/81/85/02/686818502.db2.gz SVPGVZUFMHQSKM-ZMLRMANQSA-N 1 0 329.422 -1.111 20 0 EAADRO O=C(NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1)C12CC[NH+](CC1)C2 ZINC001074670143 686819193 /nfs/dbraw/zinc/81/91/93/686819193.db2.gz UEWXZLZZZOVLOT-UHFFFAOYSA-N 1 0 348.407 -1.016 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001074671220 686820388 /nfs/dbraw/zinc/82/03/88/686820388.db2.gz SZXCMLPABCZODY-LLVKDONJSA-N 1 0 336.396 -1.160 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001074671221 686819840 /nfs/dbraw/zinc/81/98/40/686819840.db2.gz SZXCMLPABCZODY-NSHDSACASA-N 1 0 336.396 -1.160 20 0 EAADRO COCCN1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)CC1=O ZINC001074676020 686821366 /nfs/dbraw/zinc/82/13/66/686821366.db2.gz VNZJGMBDOKGFSJ-SRVKXCTJSA-N 1 0 326.397 -1.454 20 0 EAADRO COCCN1C[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)CC1=O ZINC001074676021 686820699 /nfs/dbraw/zinc/82/06/99/686820699.db2.gz VNZJGMBDOKGFSJ-TUAOUCFPSA-N 1 0 326.397 -1.454 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001074676028 686821421 /nfs/dbraw/zinc/82/14/21/686821421.db2.gz WLCGFODDQOCDQD-AXFHLTTASA-N 1 0 336.396 -1.334 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001074676029 686821073 /nfs/dbraw/zinc/82/10/73/686821073.db2.gz WLCGFODDQOCDQD-DCAQKATOSA-N 1 0 336.396 -1.334 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001074677125 686820732 /nfs/dbraw/zinc/82/07/32/686820732.db2.gz KGDLGEGHSGQQPM-SDDRHHMPSA-N 1 0 349.391 -1.986 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001074677126 686820908 /nfs/dbraw/zinc/82/09/08/686820908.db2.gz KGDLGEGHSGQQPM-SRVKXCTJSA-N 1 0 349.391 -1.986 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C)C(N)=O ZINC001074677136 686820956 /nfs/dbraw/zinc/82/09/56/686820956.db2.gz MZHDCNNLCNVDNI-SRVKXCTJSA-N 1 0 346.453 -1.135 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C)C(N)=O ZINC001074677137 686821190 /nfs/dbraw/zinc/82/11/90/686821190.db2.gz MZHDCNNLCNVDNI-TUAOUCFPSA-N 1 0 346.453 -1.135 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C)C(N)=O ZINC001074677161 686820830 /nfs/dbraw/zinc/82/08/30/686820830.db2.gz SOTWXTJRKSJVIV-DCAQKATOSA-N 1 0 337.380 -2.000 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C)C(N)=O ZINC001074677162 686821234 /nfs/dbraw/zinc/82/12/34/686821234.db2.gz SOTWXTJRKSJVIV-VWYCJHECSA-N 1 0 337.380 -2.000 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C)C(N)=O ZINC001074677173 686820847 /nfs/dbraw/zinc/82/08/47/686820847.db2.gz USXYDJZMTZROTN-DCAQKATOSA-N 1 0 332.426 -1.525 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C)C(N)=O ZINC001074677174 686821282 /nfs/dbraw/zinc/82/12/82/686821282.db2.gz USXYDJZMTZROTN-VWYCJHECSA-N 1 0 332.426 -1.525 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CN1CCCS1(=O)=O ZINC001074677180 686820715 /nfs/dbraw/zinc/82/07/15/686820715.db2.gz WKXXRXRLMSRNAC-SDDRHHMPSA-N 1 0 344.437 -1.511 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CN1CCCS1(=O)=O ZINC001074677181 686820932 /nfs/dbraw/zinc/82/09/32/686820932.db2.gz WKXXRXRLMSRNAC-SRVKXCTJSA-N 1 0 344.437 -1.511 20 0 EAADRO Cn1nnc(C(=O)N2CCC(O)(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001074677977 686821539 /nfs/dbraw/zinc/82/15/39/686821539.db2.gz YGZNIZFSSUYHIF-UHFFFAOYSA-N 1 0 339.400 -1.755 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[C@H]1CCNC1=O ZINC001074683025 686822661 /nfs/dbraw/zinc/82/26/61/686822661.db2.gz RYZFRAINPUTOOD-AXFHLTTASA-N 1 0 336.396 -1.286 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[C@@H]1CCNC1=O ZINC001074683026 686822389 /nfs/dbraw/zinc/82/23/89/686822389.db2.gz RYZFRAINPUTOOD-DCAQKATOSA-N 1 0 336.396 -1.286 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001074687384 686822694 /nfs/dbraw/zinc/82/26/94/686822694.db2.gz LUSFWDSEPAGVQO-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)[C@H]1C)C(N)=O ZINC001074687802 686822595 /nfs/dbraw/zinc/82/25/95/686822595.db2.gz PCILZRTYPHOZBE-SRVKXCTJSA-N 1 0 326.397 -1.312 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)[C@H]1C)C(N)=O ZINC001074687803 686822469 /nfs/dbraw/zinc/82/24/69/686822469.db2.gz PCILZRTYPHOZBE-TUAOUCFPSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CN1CCOCC1=O ZINC001074687807 686822608 /nfs/dbraw/zinc/82/26/08/686822608.db2.gz QJOCAEOMRCAXOL-AVGNSLFASA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CN1CCOCC1=O ZINC001074687808 686822514 /nfs/dbraw/zinc/82/25/14/686822514.db2.gz QJOCAEOMRCAXOL-RWMBFGLXSA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)CN1CCOCC1=O ZINC001074687830 686822522 /nfs/dbraw/zinc/82/25/22/686822522.db2.gz VYTVADBNEOEYLY-AVGNSLFASA-N 1 0 338.408 -1.345 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CN1CCOCC1=O ZINC001074687831 686822912 /nfs/dbraw/zinc/82/29/12/686822912.db2.gz VYTVADBNEOEYLY-RWMBFGLXSA-N 1 0 338.408 -1.345 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001074690273 686824175 /nfs/dbraw/zinc/82/41/75/686824175.db2.gz MKKLXSCLXSTSOA-DLOVCJGASA-N 1 0 349.395 -1.025 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074690349 686824281 /nfs/dbraw/zinc/82/42/81/686824281.db2.gz UYJZTWGSAFLNSQ-LSJOCFKGSA-N 1 0 335.368 -1.508 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074690372 686824388 /nfs/dbraw/zinc/82/43/88/686824388.db2.gz WXIARRVXFZLSNQ-DCAQKATOSA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074691057 686824474 /nfs/dbraw/zinc/82/44/74/686824474.db2.gz CDHRIMFJZVIDRY-DCAQKATOSA-N 1 0 335.368 -1.545 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074691067 686824453 /nfs/dbraw/zinc/82/44/53/686824453.db2.gz CTALEGKMNNMIIK-MMWGEVLESA-N 1 0 337.380 -1.558 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074691068 686824536 /nfs/dbraw/zinc/82/45/36/686824536.db2.gz CTALEGKMNNMIIK-NAKRPEOUSA-N 1 0 337.380 -1.558 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074691080 686824519 /nfs/dbraw/zinc/82/45/19/686824519.db2.gz DTEGVOVOPSKMJG-MMWGEVLESA-N 1 0 337.380 -1.606 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074691081 686824080 /nfs/dbraw/zinc/82/40/80/686824080.db2.gz DTEGVOVOPSKMJG-NAKRPEOUSA-N 1 0 337.380 -1.606 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C)C(N)=O ZINC001074691096 686824689 /nfs/dbraw/zinc/82/46/89/686824689.db2.gz FXYPMUYTQVCAPA-JXUBOQSCSA-N 1 0 325.369 -1.573 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C)C(N)=O ZINC001074691097 686824738 /nfs/dbraw/zinc/82/47/38/686824738.db2.gz FXYPMUYTQVCAPA-XKNYDFJKSA-N 1 0 325.369 -1.573 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1OCCO[C@H]1C ZINC001074691194 686824257 /nfs/dbraw/zinc/82/42/57/686824257.db2.gz NQIZYOQATIRIES-ZPFDUUQYSA-N 1 0 339.396 -1.009 20 0 EAADRO CC1CC[NH+](CC(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC1 ZINC001074691872 686825242 /nfs/dbraw/zinc/82/52/42/686825242.db2.gz YDNHGZRWNYUQPX-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001074692031 686824965 /nfs/dbraw/zinc/82/49/65/686824965.db2.gz LWYFWXXNXUNBID-DCAQKATOSA-N 1 0 347.375 -1.222 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001074692032 686825662 /nfs/dbraw/zinc/82/56/62/686825662.db2.gz LWYFWXXNXUNBID-GARJFASQSA-N 1 0 347.375 -1.222 20 0 EAADRO CNC(=O)CC(=O)NCC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001074696462 686825140 /nfs/dbraw/zinc/82/51/40/686825140.db2.gz AACYEJDVTGEICQ-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 ZINC001074696519 686825000 /nfs/dbraw/zinc/82/50/00/686825000.db2.gz BWFNAKJVZTXZDM-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO CC(=O)NCC(=O)NCC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001074696808 686825282 /nfs/dbraw/zinc/82/52/82/686825282.db2.gz KSGVIDGRRARGEW-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC1 ZINC001074696858 686825396 /nfs/dbraw/zinc/82/53/96/686825396.db2.gz MACZWTAFKKLWRR-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCCC(=O)N1CCC(O)(CNC(=O)CNC(N)=O)CC1 ZINC001074697046 686825113 /nfs/dbraw/zinc/82/51/13/686825113.db2.gz RGXBXOMXTGTINE-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1CCCNC1=O ZINC001074697162 686825150 /nfs/dbraw/zinc/82/51/50/686825150.db2.gz FIQDAAWQFIUUDC-AXFHLTTASA-N 1 0 336.396 -1.286 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1CCCNC1=O ZINC001074697164 686826408 /nfs/dbraw/zinc/82/64/08/686826408.db2.gz FIQDAAWQFIUUDC-DCAQKATOSA-N 1 0 336.396 -1.286 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)CC1 ZINC001074697243 686826531 /nfs/dbraw/zinc/82/65/31/686826531.db2.gz VGXAKGXTTLCIDA-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001074698280 686826736 /nfs/dbraw/zinc/82/67/36/686826736.db2.gz RWIRKGUOYIZVMQ-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001074698281 686827048 /nfs/dbraw/zinc/82/70/48/686827048.db2.gz RWIRKGUOYIZVMQ-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001074700316 686827635 /nfs/dbraw/zinc/82/76/35/686827635.db2.gz HIMAWGHUPLLCGS-GARJFASQSA-N 1 0 336.396 -1.144 20 0 EAADRO CC(C)[C@H](C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001074700687 686827810 /nfs/dbraw/zinc/82/78/10/686827810.db2.gz BDKDCMSAVIDNDC-LLVKDONJSA-N 1 0 328.413 -1.472 20 0 EAADRO CC(C)[C@@H](C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001074700688 686827523 /nfs/dbraw/zinc/82/75/23/686827523.db2.gz BDKDCMSAVIDNDC-NSHDSACASA-N 1 0 328.413 -1.472 20 0 EAADRO C[NH+](C)CCCCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074700740 686827763 /nfs/dbraw/zinc/82/77/63/686827763.db2.gz CUDQHERLIVNGBL-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001074700822 686827885 /nfs/dbraw/zinc/82/78/85/686827885.db2.gz HHJOHAMSJZLGCP-GFCCVEGCSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001074700823 686827994 /nfs/dbraw/zinc/82/79/94/686827994.db2.gz HHJOHAMSJZLGCP-LBPRGKRZSA-N 1 0 338.408 -1.717 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074700827 686827585 /nfs/dbraw/zinc/82/75/85/686827585.db2.gz HMUZIIFKNXRZAF-UHFFFAOYSA-N 1 0 328.413 -1.327 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001074700879 686828558 /nfs/dbraw/zinc/82/85/58/686828558.db2.gz JPDOCVMOELMDJH-HNNXBMFYSA-N 1 0 338.408 -1.573 20 0 EAADRO C[NH+](C)CC1(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC1 ZINC001074700886 686828162 /nfs/dbraw/zinc/82/81/62/686828162.db2.gz JWXUXXFYQRJGMG-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001074700924 686828187 /nfs/dbraw/zinc/82/81/87/686828187.db2.gz LIRVJERWOLQVQB-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074701069 686829296 /nfs/dbraw/zinc/82/92/96/686829296.db2.gz QRRBAFBWKQNVMI-LLVKDONJSA-N 1 0 346.403 -1.379 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074701070 686829084 /nfs/dbraw/zinc/82/90/84/686829084.db2.gz QRRBAFBWKQNVMI-NSHDSACASA-N 1 0 346.403 -1.379 20 0 EAADRO CC1CC[NH+](CC(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC1 ZINC001074701095 686829020 /nfs/dbraw/zinc/82/90/20/686829020.db2.gz RQQPOSSWHYCFOG-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC1 ZINC001074701125 686829412 /nfs/dbraw/zinc/82/94/12/686829412.db2.gz SXDAHQDVUVKTLD-UHFFFAOYSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001074701860 686829729 /nfs/dbraw/zinc/82/97/29/686829729.db2.gz DUBPRPQRDURTEK-UHFFFAOYSA-N 1 0 338.408 -1.430 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CCC1 ZINC001074701876 686830002 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NC(=O)C(=O)N1CCC(O)(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001074702591 686831270 /nfs/dbraw/zinc/83/12/70/686831270.db2.gz DZMNFSVCTBLHJB-UHFFFAOYSA-N 1 0 345.359 -1.097 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702592 686831197 /nfs/dbraw/zinc/83/11/97/686831197.db2.gz FASFWKRPTRJSCF-GFCCVEGCSA-N 1 0 340.424 -1.186 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702593 686831228 /nfs/dbraw/zinc/83/12/28/686831228.db2.gz FASFWKRPTRJSCF-LBPRGKRZSA-N 1 0 340.424 -1.186 20 0 EAADRO C[NH+]1CCC(CC(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC1 ZINC001074702672 686831258 /nfs/dbraw/zinc/83/12/58/686831258.db2.gz IEYOBWYGKIPCBH-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001074702691 686831305 /nfs/dbraw/zinc/83/13/05/686831305.db2.gz JFDNYKWTLGTVGC-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001074702696 686832042 /nfs/dbraw/zinc/83/20/42/686832042.db2.gz JJQORUVAMBVHQX-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702698 686832134 /nfs/dbraw/zinc/83/21/34/686832134.db2.gz JLWUWKZPZCDTNZ-UHFFFAOYSA-N 1 0 328.413 -1.328 20 0 EAADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702714 686832110 /nfs/dbraw/zinc/83/21/10/686832110.db2.gz KFVJBMCODRONCM-RYUDHWBXSA-N 1 0 340.424 -1.186 20 0 EAADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702715 686831921 /nfs/dbraw/zinc/83/19/21/686831921.db2.gz KFVJBMCODRONCM-TXEJJXNPSA-N 1 0 340.424 -1.186 20 0 EAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702716 686832277 /nfs/dbraw/zinc/83/22/77/686832277.db2.gz KFVJBMCODRONCM-VXGBXAGGSA-N 1 0 340.424 -1.186 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702778 686832086 /nfs/dbraw/zinc/83/20/86/686832086.db2.gz MDQWHVJTPAVYQX-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702779 686832442 /nfs/dbraw/zinc/83/24/42/686832442.db2.gz MDQWHVJTPAVYQX-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@H+](CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1)C1CCC1 ZINC001074702803 686832197 /nfs/dbraw/zinc/83/21/97/686832197.db2.gz NLFVNTZQZSWFDO-UHFFFAOYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@H+](CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1)CC(C)(C)C ZINC001074702852 686831965 /nfs/dbraw/zinc/83/19/65/686831965.db2.gz PRSDXYXSYVSQPR-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1)C1CC1 ZINC001074702896 686833209 /nfs/dbraw/zinc/83/32/09/686833209.db2.gz QXTWMWQMTFZQDX-LLVKDONJSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)[C@H](C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1)C1CC1 ZINC001074702897 686832667 /nfs/dbraw/zinc/83/26/67/686832667.db2.gz QXTWMWQMTFZQDX-NSHDSACASA-N 1 0 326.397 -1.718 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702903 686832706 /nfs/dbraw/zinc/83/27/06/686832706.db2.gz RKCNCSQRBZETGQ-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702904 686833186 /nfs/dbraw/zinc/83/31/86/686833186.db2.gz RKCNCSQRBZETGQ-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001074703038 686833047 /nfs/dbraw/zinc/83/30/47/686833047.db2.gz WVVKUIPIARBQKT-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001074703067 686833555 /nfs/dbraw/zinc/83/35/55/686833555.db2.gz XXTJQGFYOCJMIN-UHFFFAOYSA-N 1 0 340.424 -1.183 20 0 EAADRO CC(C)(C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1)[NH+]1CCCC1 ZINC001074703071 686833394 /nfs/dbraw/zinc/83/33/94/686833394.db2.gz XZCINCOWBOHUKW-UHFFFAOYSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703094 686834001 /nfs/dbraw/zinc/83/40/01/686834001.db2.gz YWTTUNZFDMWLDK-GHMZBOCLSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703095 686833791 /nfs/dbraw/zinc/83/37/91/686833791.db2.gz YWTTUNZFDMWLDK-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703096 686833647 /nfs/dbraw/zinc/83/36/47/686833647.db2.gz YWTTUNZFDMWLDK-QWRGUYRKSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703097 686833524 /nfs/dbraw/zinc/83/35/24/686833524.db2.gz YWTTUNZFDMWLDK-WDEREUQCSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)C1 ZINC001074703099 686833588 /nfs/dbraw/zinc/83/35/88/686833588.db2.gz YYXNXAQZQLAICD-LLVKDONJSA-N 1 0 326.397 -1.717 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)C1 ZINC001074703100 686833891 /nfs/dbraw/zinc/83/38/91/686833891.db2.gz YYXNXAQZQLAICD-NSHDSACASA-N 1 0 326.397 -1.717 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703570 686833430 /nfs/dbraw/zinc/83/34/30/686833430.db2.gz JYAQEKLDJFQKAC-LLVKDONJSA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703571 686833493 /nfs/dbraw/zinc/83/34/93/686833493.db2.gz JYAQEKLDJFQKAC-NSHDSACASA-N 1 0 326.397 -1.574 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703642 686833955 /nfs/dbraw/zinc/83/39/55/686833955.db2.gz MSPRLDNGYZTDNY-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074703643 686833926 /nfs/dbraw/zinc/83/39/26/686833926.db2.gz MSPRLDNGYZTDNY-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001074703718 686834429 /nfs/dbraw/zinc/83/44/29/686834429.db2.gz PDTKIOAUWZFFSA-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(=O)NCC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074712557 686835351 /nfs/dbraw/zinc/83/53/51/686835351.db2.gz AHFDYYZQBPZJDI-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO CNC(=O)NCC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074712922 686835495 /nfs/dbraw/zinc/83/54/95/686835495.db2.gz AHYFFCLQOMMDSO-UHFFFAOYSA-N 1 0 343.428 -1.663 20 0 EAADRO CC(=O)N(C)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074712923 686835121 /nfs/dbraw/zinc/83/51/21/686835121.db2.gz AHYHTVPIFVXTBG-UHFFFAOYSA-N 1 0 342.440 -1.114 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)Cn2ncnn2)CC1 ZINC001074712942 686835243 /nfs/dbraw/zinc/83/52/43/686835243.db2.gz BFHUIUWYSULYGW-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074712980 686835539 /nfs/dbraw/zinc/83/55/39/686835539.db2.gz CMSZOTAIEUNOSV-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001074713031 686835370 /nfs/dbraw/zinc/83/53/70/686835370.db2.gz FSSUMZZLKGPVIZ-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713058 686835672 /nfs/dbraw/zinc/83/56/72/686835672.db2.gz GVXMUBZZORMWQD-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)C(C)(C)C(N)=O)CC1 ZINC001074713120 686835361 /nfs/dbraw/zinc/83/53/61/686835361.db2.gz IVKZBRYOFZXFMW-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO CNC(=O)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713124 686835107 /nfs/dbraw/zinc/83/51/07/686835107.db2.gz IYLFXYGXKQSPNG-UHFFFAOYSA-N 1 0 328.413 -1.456 20 0 EAADRO COC(=O)NCC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713173 686835599 /nfs/dbraw/zinc/83/55/99/686835599.db2.gz LSMNULKLIIKLLN-UHFFFAOYSA-N 1 0 344.412 -1.236 20 0 EAADRO Cn1nncc1C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713193 686835480 /nfs/dbraw/zinc/83/54/80/686835480.db2.gz MHYORXAAKVXPRZ-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001074713214 686835146 /nfs/dbraw/zinc/83/51/46/686835146.db2.gz NBVURSKWYUORCX-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001074713215 686835623 /nfs/dbraw/zinc/83/56/23/686835623.db2.gz NBVURSKWYUORCX-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO Cn1cc(C(=O)NCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)nn1 ZINC001074713235 686835196 /nfs/dbraw/zinc/83/51/96/686835196.db2.gz OFJGJHOFONGBNF-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)C2(C(N)=O)CC2)CC1 ZINC001074713284 686835186 /nfs/dbraw/zinc/83/51/86/686835186.db2.gz POPSVNFXSIXDAQ-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)CCNC(N)=O)CC1 ZINC001074713350 686835177 /nfs/dbraw/zinc/83/51/77/686835177.db2.gz RUMMVZIJVORVFB-UHFFFAOYSA-N 1 0 343.428 -1.534 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001074713357 686835166 /nfs/dbraw/zinc/83/51/66/686835166.db2.gz SARNRXTYMHKFFJ-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001074713358 686835578 /nfs/dbraw/zinc/83/55/78/686835578.db2.gz SARNRXTYMHKFFJ-NSHDSACASA-N 1 0 342.396 -1.484 20 0 EAADRO CCC(=O)NCC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713376 686835306 /nfs/dbraw/zinc/83/53/06/686835306.db2.gz SQTIKUSXAJSADO-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)Cn2cnnn2)CC1 ZINC001074713385 686835583 /nfs/dbraw/zinc/83/55/83/686835583.db2.gz SUMITIPLIYHYID-UHFFFAOYSA-N 1 0 339.400 -1.906 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001074713410 686835217 /nfs/dbraw/zinc/83/52/17/686835217.db2.gz URPRUVGVOWJMSZ-UHFFFAOYSA-N 1 0 338.412 -1.231 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001074713411 686835490 /nfs/dbraw/zinc/83/54/90/686835490.db2.gz USDSFTRIDUFMHJ-LLVKDONJSA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001074713412 686835331 /nfs/dbraw/zinc/83/53/31/686835331.db2.gz USDSFTRIDUFMHJ-NSHDSACASA-N 1 0 341.412 -1.911 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)Cn2cncn2)CC1 ZINC001074713413 686835443 /nfs/dbraw/zinc/83/54/43/686835443.db2.gz UWCOPVIFMQRIQZ-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO Cn1ncc(C(=O)NCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001074713422 686835614 /nfs/dbraw/zinc/83/56/14/686835614.db2.gz VGWXELGSSBHRAF-UHFFFAOYSA-N 1 0 338.412 -1.150 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)CNC(N)=O)CC1 ZINC001074713441 686835023 /nfs/dbraw/zinc/83/50/23/686835023.db2.gz VXFJYFDYBNBETG-UHFFFAOYSA-N 1 0 329.401 -1.924 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713447 686835096 /nfs/dbraw/zinc/83/50/96/686835096.db2.gz WDQPJWAAOYRGTL-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713448 686835269 /nfs/dbraw/zinc/83/52/69/686835269.db2.gz WDQPJWAAOYRGTL-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2COCCO2)CC1 ZINC001074713449 686835344 /nfs/dbraw/zinc/83/53/44/686835344.db2.gz 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CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C)C(N)=O ZINC001074762249 686841635 /nfs/dbraw/zinc/84/16/35/686841635.db2.gz IOQUABYAEQQKMY-TUAOUCFPSA-N 1 0 338.412 -1.185 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001074762436 686841525 /nfs/dbraw/zinc/84/15/25/686841525.db2.gz TXKOXYIZWKFKOC-DLOVCJGASA-N 1 0 329.422 -1.111 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CCn1ncn(C)c1=O ZINC001074767140 686842475 /nfs/dbraw/zinc/84/24/75/686842475.db2.gz APVNHRYQMVPAHJ-SDDRHHMPSA-N 1 0 336.396 -1.561 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CCn1ncn(C)c1=O ZINC001074767141 686842289 /nfs/dbraw/zinc/84/22/89/686842289.db2.gz APVNHRYQMVPAHJ-SRVKXCTJSA-N 1 0 336.396 -1.561 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001074767240 686842591 /nfs/dbraw/zinc/84/25/91/686842591.db2.gz KCDCOWCYRDCKHK-BQUFFADESA-N 1 0 346.391 -1.167 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001074767241 686842491 /nfs/dbraw/zinc/84/24/91/686842491.db2.gz KCDCOWCYRDCKHK-SYEHKZFSSA-N 1 0 346.391 -1.167 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C)C(N)=O ZINC001074767287 686842345 /nfs/dbraw/zinc/84/23/45/686842345.db2.gz NVZSEEPYLXJWQP-QCZKYFFMSA-N 1 0 334.380 -1.182 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C)C(N)=O ZINC001074767288 686842589 /nfs/dbraw/zinc/84/25/89/686842589.db2.gz NVZSEEPYLXJWQP-QSFUFRPTSA-N 1 0 334.380 -1.182 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]2C)nn1-c1nc[nH]n1 ZINC001074783522 686843497 /nfs/dbraw/zinc/84/34/97/686843497.db2.gz GUIWPGFMPBQHOL-NRPADANISA-N 1 0 347.383 -1.240 20 0 EAADRO Cc1nc(C(=O)N2CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]2C)nn1-c1nc[nH]n1 ZINC001074783523 686843219 /nfs/dbraw/zinc/84/32/19/686843219.db2.gz GUIWPGFMPBQHOL-WEDXCCLWSA-N 1 0 347.383 -1.240 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H]1C)C(N)=O ZINC001074783550 686843416 /nfs/dbraw/zinc/84/34/16/686843416.db2.gz NWXYEMGKLIJVGT-SRVKXCTJSA-N 1 0 346.391 -1.051 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H]1C)C(N)=O ZINC001074783551 686843259 /nfs/dbraw/zinc/84/32/59/686843259.db2.gz NWXYEMGKLIJVGT-WOPDTQHZSA-N 1 0 346.391 -1.051 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C)C(N)=O ZINC001074792930 686842924 /nfs/dbraw/zinc/84/29/24/686842924.db2.gz IWQQPBDTESWUOS-SRVKXCTJSA-N 1 0 325.413 -1.739 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C)C(N)=O ZINC001074792931 686843391 /nfs/dbraw/zinc/84/33/91/686843391.db2.gz IWQQPBDTESWUOS-TUAOUCFPSA-N 1 0 325.413 -1.739 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CN1CCNC(=O)C1 ZINC001074792958 686843332 /nfs/dbraw/zinc/84/33/32/686843332.db2.gz NJHMUKHGOTVSKY-AVGNSLFASA-N 1 0 337.424 -1.724 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CN1CCNC(=O)C1 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/nfs/dbraw/zinc/84/34/40/686843440.db2.gz SKUBFOGSQDYEJB-AXFHLTTASA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@H]1CCNC1=O ZINC001074794990 686843445 /nfs/dbraw/zinc/84/34/45/686843445.db2.gz SKUBFOGSQDYEJB-DCAQKATOSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@H]1CCNC1=O ZINC001074795201 686843182 /nfs/dbraw/zinc/84/31/82/686843182.db2.gz XXQDMKVMDUDWJZ-SRVKXCTJSA-N 1 0 336.392 -1.150 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1CCNC1=O ZINC001074795202 686842986 /nfs/dbraw/zinc/84/29/86/686842986.db2.gz XXQDMKVMDUDWJZ-TUAOUCFPSA-N 1 0 336.392 -1.150 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798597 686843304 /nfs/dbraw/zinc/84/33/04/686843304.db2.gz QNAMCUKZIZTGGZ-SDDRHHMPSA-N 1 0 338.412 -1.386 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798598 686843295 /nfs/dbraw/zinc/84/32/95/686843295.db2.gz QNAMCUKZIZTGGZ-SRVKXCTJSA-N 1 0 338.412 -1.386 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798779 686843142 /nfs/dbraw/zinc/84/31/42/686843142.db2.gz XIEYAIQPHNDMIL-GUBZILKMSA-N 1 0 337.384 -1.789 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798780 686843045 /nfs/dbraw/zinc/84/30/45/686843045.db2.gz XIEYAIQPHNDMIL-LPEHRKFASA-N 1 0 337.384 -1.789 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CCN1C(=O)c1nnn(C)n1 ZINC001074806760 686842950 /nfs/dbraw/zinc/84/29/50/686842950.db2.gz RCBYAUODWORMNT-AXFHLTTASA-N 1 0 342.425 -1.163 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)c1nnn(C)n1 ZINC001074806761 686843470 /nfs/dbraw/zinc/84/34/70/686843470.db2.gz RCBYAUODWORMNT-DCAQKATOSA-N 1 0 342.425 -1.163 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1CCN(C)C1=O ZINC001074814748 686843719 /nfs/dbraw/zinc/84/37/19/686843719.db2.gz BHCADEKRYLWCIF-AXFHLTTASA-N 1 0 336.396 -1.334 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1CCN(C)C1=O ZINC001074814749 686844012 /nfs/dbraw/zinc/84/40/12/686844012.db2.gz BHCADEKRYLWCIF-DCAQKATOSA-N 1 0 336.396 -1.334 20 0 EAADRO C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074819883 686845275 /nfs/dbraw/zinc/84/52/75/686845275.db2.gz YXKAWPWHIODIFU-NEPJUHHUSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H]1C[C@H](NC(=O)CNC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074819884 686845218 /nfs/dbraw/zinc/84/52/18/686845218.db2.gz YXKAWPWHIODIFU-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074819885 686845476 /nfs/dbraw/zinc/84/54/76/686845476.db2.gz YXKAWPWHIODIFU-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074819886 686845401 /nfs/dbraw/zinc/84/54/01/686845401.db2.gz YXKAWPWHIODIFU-VXGBXAGGSA-N 1 0 343.428 -1.271 20 0 EAADRO 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C[C@H]1[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CCN1C(=O)C(N)=O ZINC001074846987 686846943 /nfs/dbraw/zinc/84/69/43/686846943.db2.gz CWJHFSOKUZKUEG-ZMLRMANQSA-N 1 0 334.380 -1.410 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCN(C(=O)C(N)=O)[C@H]3C)C2=O)n(C)n1 ZINC001074846998 686846912 /nfs/dbraw/zinc/84/69/12/686846912.db2.gz GEWCYSCGUFBWIR-SDDRHHMPSA-N 1 0 348.407 -1.102 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCN(C(=O)C(N)=O)[C@H]3C)C2=O)n(C)n1 ZINC001074846999 686846731 /nfs/dbraw/zinc/84/67/31/686846731.db2.gz GEWCYSCGUFBWIR-SRVKXCTJSA-N 1 0 348.407 -1.102 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)CCN1C(=O)C(N)=O ZINC001074847010 686846780 /nfs/dbraw/zinc/84/67/80/686846780.db2.gz HCZSRYIZDQOWQO-DCAQKATOSA-N 1 0 334.380 -1.410 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)CCN1C(=O)C(N)=O ZINC001074847011 686846795 /nfs/dbraw/zinc/84/67/95/686846795.db2.gz HCZSRYIZDQOWQO-GARJFASQSA-N 1 0 334.380 -1.410 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)CCN1C(=O)C(N)=O ZINC001074847073 686846768 /nfs/dbraw/zinc/84/67/68/686846768.db2.gz NZIUBFLKOVJXFF-AXFHLTTASA-N 1 0 339.396 -2.225 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)CCN1C(=O)C(N)=O ZINC001074847074 686846702 /nfs/dbraw/zinc/84/67/02/686846702.db2.gz NZIUBFLKOVJXFF-DCAQKATOSA-N 1 0 339.396 -2.225 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001074875294 686847784 /nfs/dbraw/zinc/84/77/84/686847784.db2.gz ANZUFRHGOHLQPG-ZDEQEGDKSA-N 1 0 336.396 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001074878160 686847470 /nfs/dbraw/zinc/84/74/70/686847470.db2.gz DIUCFVRWXSITLM-FIQHERPVSA-N 1 0 326.397 -1.314 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001074880644 686847518 /nfs/dbraw/zinc/84/75/18/686847518.db2.gz PBKGOIGYYYURIP-XYJRDEOASA-N 1 0 336.396 -1.073 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001074880730 686848399 /nfs/dbraw/zinc/84/83/99/686848399.db2.gz WLDFDMDGMHDNIF-ZDEQEGDKSA-N 1 0 338.408 -1.169 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001074884480 686848664 /nfs/dbraw/zinc/84/86/64/686848664.db2.gz HYLIJGZXBBDHLJ-RNJOBUHISA-N 1 0 338.408 -1.454 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001074888472 686848600 /nfs/dbraw/zinc/84/86/00/686848600.db2.gz DJRWIECFVJWMDZ-VLEAKVRGSA-N 1 0 337.380 -1.761 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001074888653 686848259 /nfs/dbraw/zinc/84/82/59/686848259.db2.gz SHVBVYIRZLRABF-USZNOCQGSA-N 1 0 336.392 -1.164 20 0 EAADRO C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074910447 686849222 /nfs/dbraw/zinc/84/92/22/686849222.db2.gz XPGRSUOXHKQPEV-NEPJUHHUSA-N 1 0 328.413 -1.064 20 0 EAADRO C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074910449 686849255 /nfs/dbraw/zinc/84/92/55/686849255.db2.gz XPGRSUOXHKQPEV-NWDGAFQWSA-N 1 0 328.413 -1.064 20 0 EAADRO C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074910451 686849116 /nfs/dbraw/zinc/84/91/16/686849116.db2.gz XPGRSUOXHKQPEV-RYUDHWBXSA-N 1 0 328.413 -1.064 20 0 EAADRO C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001074910453 686848923 /nfs/dbraw/zinc/84/89/23/686848923.db2.gz XPGRSUOXHKQPEV-VXGBXAGGSA-N 1 0 328.413 -1.064 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074921877 686849879 /nfs/dbraw/zinc/84/98/79/686849879.db2.gz AVQHIYRINBFMGQ-DCAQKATOSA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074922219 686849943 /nfs/dbraw/zinc/84/99/43/686849943.db2.gz LPZPQVHOVXFBPF-LSJOCFKGSA-N 1 0 335.368 -1.508 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074922486 686849777 /nfs/dbraw/zinc/84/97/77/686849777.db2.gz VNJQEBDEGDMPJP-MMWGEVLESA-N 1 0 337.380 -1.558 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074922489 686850187 /nfs/dbraw/zinc/85/01/87/686850187.db2.gz VNJQEBDEGDMPJP-NAKRPEOUSA-N 1 0 337.380 -1.558 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001074922595 686850076 /nfs/dbraw/zinc/85/00/76/686850076.db2.gz YHHGHVZNEZDTQB-DLOVCJGASA-N 1 0 349.395 -1.025 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074923066 686849969 /nfs/dbraw/zinc/84/99/69/686849969.db2.gz ISIBNCUFDSCXPV-MMWGEVLESA-N 1 0 337.380 -1.606 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074923067 686850675 /nfs/dbraw/zinc/85/06/75/686850675.db2.gz ISIBNCUFDSCXPV-NAKRPEOUSA-N 1 0 337.380 -1.606 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C)C(N)=O ZINC001074923384 686850527 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337.380 -1.850 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1C)C(N)=O ZINC001074937541 686850434 /nfs/dbraw/zinc/85/04/34/686850434.db2.gz RLVJFVKRYXMDRP-DCAQKATOSA-N 1 0 347.379 -1.656 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1C)C(N)=O ZINC001074937542 686850478 /nfs/dbraw/zinc/85/04/78/686850478.db2.gz RLVJFVKRYXMDRP-VWYCJHECSA-N 1 0 347.379 -1.656 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001074937565 686850744 /nfs/dbraw/zinc/85/07/44/686850744.db2.gz SWQWUXAWPPVTJQ-DLOVCJGASA-N 1 0 349.391 -1.835 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001074937566 686850697 /nfs/dbraw/zinc/85/06/97/686850697.db2.gz SWQWUXAWPPVTJQ-ZMLRMANQSA-N 1 0 349.391 -1.835 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001074962462 686852011 /nfs/dbraw/zinc/85/20/11/686852011.db2.gz UVIAFXVLBUIMHE-AXFHLTTASA-N 1 0 336.396 -1.144 20 0 EAADRO 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ZINC001075094465 686859628 /nfs/dbraw/zinc/85/96/28/686859628.db2.gz SADJSOSHEJWNNM-SDDRHHMPSA-N 1 0 349.395 -1.155 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001075094466 686859770 /nfs/dbraw/zinc/85/97/70/686859770.db2.gz SADJSOSHEJWNNM-SRVKXCTJSA-N 1 0 349.395 -1.155 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CN1C(=O)CCC1=O ZINC001075096293 686859389 /nfs/dbraw/zinc/85/93/89/686859389.db2.gz CUNZZYACCRIUHT-SDDRHHMPSA-N 1 0 336.392 -1.055 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)CN1C(=O)CCC1=O ZINC001075096294 686859245 /nfs/dbraw/zinc/85/92/45/686859245.db2.gz CUNZZYACCRIUHT-SRVKXCTJSA-N 1 0 336.392 -1.055 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001075104916 686860382 /nfs/dbraw/zinc/86/03/82/686860382.db2.gz MMNDXAXAXXTKPH-INTQDDNPSA-N 1 0 335.364 -1.433 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001075104917 686860174 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UDOPHORSGGSILP-WOPDTQHZSA-N 1 0 346.453 -1.830 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001075115486 686860275 /nfs/dbraw/zinc/86/02/75/686860275.db2.gz BTFVENIDGCGTJW-DLOVCJGASA-N 1 0 342.425 -1.414 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001075115487 686860216 /nfs/dbraw/zinc/86/02/16/686860216.db2.gz BTFVENIDGCGTJW-ZMLRMANQSA-N 1 0 342.425 -1.414 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001075115496 686860414 /nfs/dbraw/zinc/86/04/14/686860414.db2.gz CUOSLSMJRCNODE-SDDRHHMPSA-N 1 0 344.437 -1.511 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001075115497 686860243 /nfs/dbraw/zinc/86/02/43/686860243.db2.gz CUOSLSMJRCNODE-SRVKXCTJSA-N 1 0 344.437 -1.511 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001075115606 686861006 /nfs/dbraw/zinc/86/10/06/686861006.db2.gz NZDKMNRPANFEKC-SDDRHHMPSA-N 1 0 342.425 -1.451 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001075115607 686861246 /nfs/dbraw/zinc/86/12/46/686861246.db2.gz NZDKMNRPANFEKC-SRVKXCTJSA-N 1 0 342.425 -1.451 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001075128989 686861574 /nfs/dbraw/zinc/86/15/74/686861574.db2.gz NCZHSSDFJZCWAV-DCAQKATOSA-N 1 0 349.395 -1.765 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001075128991 686861091 /nfs/dbraw/zinc/86/10/91/686861091.db2.gz NCZHSSDFJZCWAV-GARJFASQSA-N 1 0 349.395 -1.765 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001075129105 686860792 /nfs/dbraw/zinc/86/07/92/686860792.db2.gz XNVPYFDLJFEXIJ-GUBZILKMSA-N 1 0 335.368 -2.156 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001075129106 686861303 /nfs/dbraw/zinc/86/13/03/686861303.db2.gz XNVPYFDLJFEXIJ-LPEHRKFASA-N 1 0 335.368 -2.156 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C)C(N)=O ZINC001075130788 686861848 /nfs/dbraw/zinc/86/18/48/686861848.db2.gz FKOQWSWCKWOMRZ-AEJSXWLSSA-N 1 0 337.384 -1.780 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C)C(N)=O ZINC001075130789 686862127 /nfs/dbraw/zinc/86/21/27/686862127.db2.gz FKOQWSWCKWOMRZ-GUBZILKMSA-N 1 0 337.384 -1.780 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC001075130810 686861746 /nfs/dbraw/zinc/86/17/46/686861746.db2.gz HVDDYERUDCUQDE-SRVKXCTJSA-N 1 0 338.412 -1.060 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC001075130811 686861810 /nfs/dbraw/zinc/86/18/10/686861810.db2.gz HVDDYERUDCUQDE-WOPDTQHZSA-N 1 0 338.412 -1.060 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCOC2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001075130872 686862149 /nfs/dbraw/zinc/86/21/49/686862149.db2.gz PCKSZCIYXUFZLJ-SRVKXCTJSA-N 1 0 336.396 -1.008 20 0 EAADRO 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ZINC001075154963 686864248 /nfs/dbraw/zinc/86/42/48/686864248.db2.gz RELPOVKLYWEVRW-TUAOUCFPSA-N 1 0 336.392 -1.150 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001075156247 686864107 /nfs/dbraw/zinc/86/41/07/686864107.db2.gz SWZBVOBXZGLDII-NEPJUHHUSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075156248 686864508 /nfs/dbraw/zinc/86/45/08/686864508.db2.gz SWZBVOBXZGLDII-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075156249 686863802 /nfs/dbraw/zinc/86/38/02/686863802.db2.gz SWZBVOBXZGLDII-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001075156250 686864157 /nfs/dbraw/zinc/86/41/57/686864157.db2.gz SWZBVOBXZGLDII-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@]1(C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001075163560 686864586 /nfs/dbraw/zinc/86/45/86/686864586.db2.gz IOORSOHJGKTXCX-JRPNMDOOSA-N 1 0 349.395 -1.448 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@]1(C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001075163561 686864543 /nfs/dbraw/zinc/86/45/43/686864543.db2.gz IOORSOHJGKTXCX-UEKVPHQBSA-N 1 0 349.395 -1.448 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@]1(C)C[NH2+][C@@H]1CCNC1=O ZINC001075164336 686864573 /nfs/dbraw/zinc/86/45/73/686864573.db2.gz PBPUEATZLWPOIC-JTNHKYCSSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@]1(C)C[NH2+][C@H]1CCNC1=O ZINC001075164337 686864308 /nfs/dbraw/zinc/86/43/08/686864308.db2.gz PBPUEATZLWPOIC-UHIISALHSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@]1(C)C[NH2+][C@H]1CCNC1=O ZINC001075164744 686864549 /nfs/dbraw/zinc/86/45/49/686864549.db2.gz RFVSLGFUCRESJI-JRPNMDOOSA-N 1 0 336.396 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@]1(C)C[NH2+][C@@H]1CCNC1=O ZINC001075164745 686864227 /nfs/dbraw/zinc/86/42/27/686864227.db2.gz RFVSLGFUCRESJI-UEKVPHQBSA-N 1 0 336.396 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@]1(C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001075164807 686864174 /nfs/dbraw/zinc/86/41/74/686864174.db2.gz SLHNHXORNOJQOK-LALPHHSUSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@]1(C)C[NH2+][C@H]1CCN(C)C1=O ZINC001075164812 686863940 /nfs/dbraw/zinc/86/39/40/686863940.db2.gz SLHNHXORNOJQOK-TYNCELHUSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001075166215 686863930 /nfs/dbraw/zinc/86/39/30/686863930.db2.gz DFZZJWRLQFMELJ-JRPNMDOOSA-N 1 0 349.395 -1.448 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001075166218 686864272 /nfs/dbraw/zinc/86/42/72/686864272.db2.gz DFZZJWRLQFMELJ-UEKVPHQBSA-N 1 0 349.395 -1.448 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@]1(C)C[NH2+][C@H]1CCNC1=O ZINC001075166235 686863904 /nfs/dbraw/zinc/86/39/04/686863904.db2.gz DHUBMWNIUSOHJT-IFUGULHKSA-N 1 0 343.449 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@]1(C)C[NH2+][C@@H]1CCNC1=O ZINC001075166238 686864495 /nfs/dbraw/zinc/86/44/95/686864495.db2.gz DHUBMWNIUSOHJT-IXPVHAAZSA-N 1 0 343.449 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001075168074 686864501 /nfs/dbraw/zinc/86/45/01/686864501.db2.gz UJAADWYBTCCROS-LALPHHSUSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+][C@H]1CCN(C)C1=O ZINC001075168076 686864237 /nfs/dbraw/zinc/86/42/37/686864237.db2.gz UJAADWYBTCCROS-TYNCELHUSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]1(C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001075169684 686864099 /nfs/dbraw/zinc/86/40/99/686864099.db2.gz MOAPQRGRWVLGGZ-HFBDOXOYSA-N 1 0 349.395 -1.297 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]1(C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001075169702 686864149 /nfs/dbraw/zinc/86/41/49/686864149.db2.gz MOAPQRGRWVLGGZ-IQMDTDKHSA-N 1 0 349.395 -1.297 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075217044 686865083 /nfs/dbraw/zinc/86/50/83/686865083.db2.gz DOGSNAJYGNXEBA-GHMZBOCLSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075217045 686865585 /nfs/dbraw/zinc/86/55/85/686865585.db2.gz DOGSNAJYGNXEBA-MNOVXSKESA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075217046 686865332 /nfs/dbraw/zinc/86/53/32/686865332.db2.gz DOGSNAJYGNXEBA-QWRGUYRKSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075217047 686865111 /nfs/dbraw/zinc/86/51/11/686865111.db2.gz DOGSNAJYGNXEBA-WDEREUQCSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075218380 686865425 /nfs/dbraw/zinc/86/54/25/686865425.db2.gz WSTLWEBWVNAJQW-GHMZBOCLSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075218381 686865514 /nfs/dbraw/zinc/86/55/14/686865514.db2.gz WSTLWEBWVNAJQW-MNOVXSKESA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075218382 686864917 /nfs/dbraw/zinc/86/49/17/686864917.db2.gz WSTLWEBWVNAJQW-QWRGUYRKSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075218383 686865541 /nfs/dbraw/zinc/86/55/41/686865541.db2.gz WSTLWEBWVNAJQW-WDEREUQCSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075235288 686864839 /nfs/dbraw/zinc/86/48/39/686864839.db2.gz CBKQUUVEPGFYEO-GHMZBOCLSA-N 1 0 344.441 -1.171 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075235289 686865443 /nfs/dbraw/zinc/86/54/43/686865443.db2.gz CBKQUUVEPGFYEO-MNOVXSKESA-N 1 0 344.441 -1.171 20 0 EAADRO C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075235290 686865482 /nfs/dbraw/zinc/86/54/82/686865482.db2.gz CBKQUUVEPGFYEO-QWRGUYRKSA-N 1 0 344.441 -1.171 20 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/nfs/dbraw/zinc/86/62/45/686866245.db2.gz DCARFXQGXFYFBL-GHMZBOCLSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075280867 686866472 /nfs/dbraw/zinc/86/64/72/686866472.db2.gz DCARFXQGXFYFBL-MNOVXSKESA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075280868 686866074 /nfs/dbraw/zinc/86/60/74/686866074.db2.gz DCARFXQGXFYFBL-QWRGUYRKSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075280869 686866224 /nfs/dbraw/zinc/86/62/24/686866224.db2.gz DCARFXQGXFYFBL-WDEREUQCSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075283865 686866305 /nfs/dbraw/zinc/86/63/05/686866305.db2.gz PMEOEBIROOWEBI-GHMZBOCLSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075283866 686866268 /nfs/dbraw/zinc/86/62/68/686866268.db2.gz PMEOEBIROOWEBI-MNOVXSKESA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075283867 686866576 /nfs/dbraw/zinc/86/65/76/686866576.db2.gz PMEOEBIROOWEBI-QWRGUYRKSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075283868 686866323 /nfs/dbraw/zinc/86/63/23/686866323.db2.gz PMEOEBIROOWEBI-WDEREUQCSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075286388 686865925 /nfs/dbraw/zinc/86/59/25/686865925.db2.gz SFPRREFBWKFUEW-NEPJUHHUSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075286389 686866487 /nfs/dbraw/zinc/86/64/87/686866487.db2.gz SFPRREFBWKFUEW-NWDGAFQWSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075286390 686866003 /nfs/dbraw/zinc/86/60/03/686866003.db2.gz SFPRREFBWKFUEW-RYUDHWBXSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075286391 686865983 /nfs/dbraw/zinc/86/59/83/686865983.db2.gz SFPRREFBWKFUEW-VXGBXAGGSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075314528 686866012 /nfs/dbraw/zinc/86/60/12/686866012.db2.gz GLSDLXZPMCLXSX-NXEZZACHSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075314529 686866612 /nfs/dbraw/zinc/86/66/12/686866612.db2.gz GLSDLXZPMCLXSX-UWVGGRQHSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075314530 686866170 /nfs/dbraw/zinc/86/61/70/686866170.db2.gz GLSDLXZPMCLXSX-VHSXEESVSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075314531 686866338 /nfs/dbraw/zinc/86/63/38/686866338.db2.gz GLSDLXZPMCLXSX-ZJUUUORDSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075315868 686866097 /nfs/dbraw/zinc/86/60/97/686866097.db2.gz ZITRPAULFRCMPU-NXEZZACHSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075315869 686866531 /nfs/dbraw/zinc/86/65/31/686866531.db2.gz ZITRPAULFRCMPU-UWVGGRQHSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075315870 686865869 /nfs/dbraw/zinc/86/58/69/686865869.db2.gz ZITRPAULFRCMPU-VHSXEESVSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075315871 686865797 /nfs/dbraw/zinc/86/57/97/686865797.db2.gz ZITRPAULFRCMPU-ZJUUUORDSA-N 1 0 349.399 -1.480 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001075321449 686866848 /nfs/dbraw/zinc/86/68/48/686866848.db2.gz HWXYLKVNNKLHAF-GHMZBOCLSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001075321450 686866820 /nfs/dbraw/zinc/86/68/20/686866820.db2.gz HWXYLKVNNKLHAF-MNOVXSKESA-N 1 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685046599 /nfs/dbraw/zinc/04/65/99/685046599.db2.gz UIAMMFQMLMPCQY-VXGBXAGGSA-N 1 0 348.415 -1.139 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075360973 685048082 /nfs/dbraw/zinc/04/80/82/685048082.db2.gz YICPXUONRLBIHR-NEPJUHHUSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075360974 685047552 /nfs/dbraw/zinc/04/75/52/685047552.db2.gz YICPXUONRLBIHR-NWDGAFQWSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075360975 685047892 /nfs/dbraw/zinc/04/78/92/685047892.db2.gz YICPXUONRLBIHR-RYUDHWBXSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001075360976 685047664 /nfs/dbraw/zinc/04/76/64/685047664.db2.gz YICPXUONRLBIHR-VXGBXAGGSA-N 1 0 348.411 -1.026 20 0 EAADRO CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001075375737 685049332 /nfs/dbraw/zinc/04/93/32/685049332.db2.gz CPOIDFZFBIVLKS-AWEZNQCLSA-N 1 0 349.439 -1.017 20 0 EAADRO CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001075375738 685049634 /nfs/dbraw/zinc/04/96/34/685049634.db2.gz CPOIDFZFBIVLKS-CQSZACIVSA-N 1 0 349.439 -1.017 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001075389174 685051782 /nfs/dbraw/zinc/05/17/82/685051782.db2.gz YSTOQVGENCIQMS-NEPJUHHUSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001075389175 685051447 /nfs/dbraw/zinc/05/14/47/685051447.db2.gz YSTOQVGENCIQMS-NWDGAFQWSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001075389176 685051487 /nfs/dbraw/zinc/05/14/87/685051487.db2.gz YSTOQVGENCIQMS-RYUDHWBXSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001075389177 685051530 /nfs/dbraw/zinc/05/15/30/685051530.db2.gz YSTOQVGENCIQMS-VXGBXAGGSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001075407020 685055354 /nfs/dbraw/zinc/05/53/54/685055354.db2.gz VHDDCUKQHZPIGC-ABAIWWIYSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001075407021 685055376 /nfs/dbraw/zinc/05/53/76/685055376.db2.gz VHDDCUKQHZPIGC-IAQYHMDHSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001075407022 685055295 /nfs/dbraw/zinc/05/52/95/685055295.db2.gz VHDDCUKQHZPIGC-NHYWBVRUSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001075407023 685055388 /nfs/dbraw/zinc/05/53/88/685055388.db2.gz VHDDCUKQHZPIGC-XHDPSFHLSA-N 1 0 326.397 -1.277 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)C2(C1)CCOCC2 ZINC001075431239 685066778 /nfs/dbraw/zinc/06/67/78/685066778.db2.gz YDSCWEMDTFMVLD-NEPJUHHUSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)CC(=O)N1C[C@H](C[NH2+][C@@H]2CCNC2=O)C2(C1)CCOCC2 ZINC001075431240 685066588 /nfs/dbraw/zinc/06/65/88/685066588.db2.gz YDSCWEMDTFMVLD-NWDGAFQWSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)CC(=O)N1C[C@H](C[NH2+][C@H]2CCNC2=O)C2(C1)CCOCC2 ZINC001075431241 685066243 /nfs/dbraw/zinc/06/62/43/685066243.db2.gz YDSCWEMDTFMVLD-RYUDHWBXSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)C2(C1)CCOCC2 ZINC001075431242 685066581 /nfs/dbraw/zinc/06/65/81/685066581.db2.gz YDSCWEMDTFMVLD-VXGBXAGGSA-N 1 0 338.408 -1.405 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075435881 685068077 /nfs/dbraw/zinc/06/80/77/685068077.db2.gz CMILZROKYCMTIF-LLVKDONJSA-N 1 0 336.396 -1.355 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075435882 685068111 /nfs/dbraw/zinc/06/81/11/685068111.db2.gz CMILZROKYCMTIF-NSHDSACASA-N 1 0 336.396 -1.355 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075435977 685068266 /nfs/dbraw/zinc/06/82/66/685068266.db2.gz FSKQXLWRJKLKOL-LLVKDONJSA-N 1 0 336.396 -1.355 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075435978 685068037 /nfs/dbraw/zinc/06/80/37/685068037.db2.gz FSKQXLWRJKLKOL-NSHDSACASA-N 1 0 336.396 -1.355 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CC23CCOCC3)nn1 ZINC001075436083 685068282 /nfs/dbraw/zinc/06/82/82/685068282.db2.gz IDMCBQNEFVNHHH-LLVKDONJSA-N 1 0 336.396 -1.355 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CC23CCOCC3)nn1 ZINC001075436084 685068120 /nfs/dbraw/zinc/06/81/20/685068120.db2.gz IDMCBQNEFVNHHH-NSHDSACASA-N 1 0 336.396 -1.355 20 0 EAADRO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CC23CCOCC3)[nH]1 ZINC001075436149 685068251 /nfs/dbraw/zinc/06/82/51/685068251.db2.gz JHYQUQOETPBPOX-LLVKDONJSA-N 1 0 336.396 -1.057 20 0 EAADRO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CC23CCOCC3)[nH]1 ZINC001075436150 685067924 /nfs/dbraw/zinc/06/79/24/685067924.db2.gz JHYQUQOETPBPOX-NSHDSACASA-N 1 0 336.396 -1.057 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075436189 685068165 /nfs/dbraw/zinc/06/81/65/685068165.db2.gz KDILNAQRIOUJPA-JTQLQIEISA-N 1 0 337.384 -1.960 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075436190 685068321 /nfs/dbraw/zinc/06/83/21/685068321.db2.gz KDILNAQRIOUJPA-SNVBAGLBSA-N 1 0 337.384 -1.960 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075436331 685067890 /nfs/dbraw/zinc/06/78/90/685067890.db2.gz NUWWJVDPQQNLOZ-LLVKDONJSA-N 1 0 336.396 -1.355 20 0 EAADRO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001075436332 685068052 /nfs/dbraw/zinc/06/80/52/685068052.db2.gz NUWWJVDPQQNLOZ-NSHDSACASA-N 1 0 336.396 -1.355 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)CC23CCOCC3)C1=O ZINC001075436451 685068368 /nfs/dbraw/zinc/06/83/68/685068368.db2.gz RERURIUUXWPLHG-NEPJUHHUSA-N 1 0 338.408 -1.453 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C(N)=O)CC23CCOCC3)C1=O ZINC001075436452 685068135 /nfs/dbraw/zinc/06/81/35/685068135.db2.gz RERURIUUXWPLHG-NWDGAFQWSA-N 1 0 338.408 -1.453 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C(N)=O)CC23CCOCC3)C1=O ZINC001075436453 685068029 /nfs/dbraw/zinc/06/80/29/685068029.db2.gz RERURIUUXWPLHG-RYUDHWBXSA-N 1 0 338.408 -1.453 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)CC23CCOCC3)C1=O ZINC001075436454 685068069 /nfs/dbraw/zinc/06/80/69/685068069.db2.gz RERURIUUXWPLHG-VXGBXAGGSA-N 1 0 338.408 -1.453 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)C2(C1)CCOCC2 ZINC001075436455 685068092 /nfs/dbraw/zinc/06/80/92/685068092.db2.gz REXDDBFTCGKJIY-NEPJUHHUSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C2(C1)CCOCC2 ZINC001075436456 685068345 /nfs/dbraw/zinc/06/83/45/685068345.db2.gz REXDDBFTCGKJIY-NWDGAFQWSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C[NH2+][C@H]2CCCNC2=O)C2(C1)CCOCC2 ZINC001075436457 685067981 /nfs/dbraw/zinc/06/79/81/685067981.db2.gz REXDDBFTCGKJIY-RYUDHWBXSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)C2(C1)CCOCC2 ZINC001075436458 685068084 /nfs/dbraw/zinc/06/80/84/685068084.db2.gz REXDDBFTCGKJIY-VXGBXAGGSA-N 1 0 338.408 -1.405 20 0 EAADRO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CC23CCOCC3)n1 ZINC001075436459 685068146 /nfs/dbraw/zinc/06/81/46/685068146.db2.gz RFSAXECNBHFMPN-LLVKDONJSA-N 1 0 336.396 -1.355 20 0 EAADRO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CC23CCOCC3)n1 ZINC001075436460 685068203 /nfs/dbraw/zinc/06/82/03/685068203.db2.gz RFSAXECNBHFMPN-NSHDSACASA-N 1 0 336.396 -1.355 20 0 EAADRO COCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001075462885 685077059 /nfs/dbraw/zinc/07/70/59/685077059.db2.gz LMFVRZOZQHPERQ-RWMBFGLXSA-N 1 0 339.392 -1.325 20 0 EAADRO COCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001075462886 685077178 /nfs/dbraw/zinc/07/71/78/685077178.db2.gz LMFVRZOZQHPERQ-YNEHKIRRSA-N 1 0 339.392 -1.325 20 0 EAADRO COCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]21 ZINC001075464290 685077861 /nfs/dbraw/zinc/07/78/61/685077861.db2.gz XDKZNTOVYRJPHN-WCQYABFASA-N 1 0 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/nfs/dbraw/zinc/26/44/18/685264418.db2.gz LRFTWERRCWGTFJ-QWRGUYRKSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1CS(=O)(=O)C1 ZINC001076588134 685263987 /nfs/dbraw/zinc/26/39/87/685263987.db2.gz LRFTWERRCWGTFJ-WDEREUQCSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cn1ncn(C)c1=O ZINC001076588294 685264344 /nfs/dbraw/zinc/26/43/44/685264344.db2.gz PTSQACVGQJKDGM-NWDGAFQWSA-N 1 0 338.412 -1.456 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cn1ncn(C)c1=O ZINC001076588295 685264121 /nfs/dbraw/zinc/26/41/21/685264121.db2.gz PTSQACVGQJKDGM-RYUDHWBXSA-N 1 0 338.412 -1.456 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001076589156 685264042 /nfs/dbraw/zinc/26/40/42/685264042.db2.gz ABLNUVDULCEFNP-AXFHLTTASA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001076589157 685264172 /nfs/dbraw/zinc/26/41/72/685264172.db2.gz ABLNUVDULCEFNP-DCAQKATOSA-N 1 0 339.396 -1.453 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076589171 685264113 /nfs/dbraw/zinc/26/41/13/685264113.db2.gz AHUFNRJDHMSTHU-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076589172 685264128 /nfs/dbraw/zinc/26/41/28/685264128.db2.gz AHUFNRJDHMSTHU-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076589173 685264254 /nfs/dbraw/zinc/26/42/54/685264254.db2.gz AMLJTOHSCFZYGI-QWRGUYRKSA-N 1 0 334.442 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076589174 685264076 /nfs/dbraw/zinc/26/40/76/685264076.db2.gz AMLJTOHSCFZYGI-WDEREUQCSA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN1CCOCC1=O ZINC001076589562 685264065 /nfs/dbraw/zinc/26/40/65/685264065.db2.gz IDYDSZGWAHRKCG-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN1CCOCC1=O ZINC001076589563 685264209 /nfs/dbraw/zinc/26/42/09/685264209.db2.gz IDYDSZGWAHRKCG-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076589630 685264054 /nfs/dbraw/zinc/26/40/54/685264054.db2.gz JIZVSVIQGPTZDC-QWRGUYRKSA-N 1 0 349.457 -1.997 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076589631 685264220 /nfs/dbraw/zinc/26/42/20/685264220.db2.gz JIZVSVIQGPTZDC-WDEREUQCSA-N 1 0 349.457 -1.997 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CCNS(C)(=O)=O ZINC001076589730 685264275 /nfs/dbraw/zinc/26/42/75/685264275.db2.gz MTPPTRYSHZFELP-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CCNS(C)(=O)=O ZINC001076589731 685264466 /nfs/dbraw/zinc/26/44/66/685264466.db2.gz MTPPTRYSHZFELP-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN1CCNC(=O)C1 ZINC001076589929 685264191 /nfs/dbraw/zinc/26/41/91/685264191.db2.gz SECRECAWJMHYOO-QWHCGFSZSA-N 1 0 339.440 -1.619 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN1CCNC(=O)C1 ZINC001076589930 685264013 /nfs/dbraw/zinc/26/40/13/685264013.db2.gz SECRECAWJMHYOO-STQMWFEESA-N 1 0 339.440 -1.619 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)S(C)(=O)=O ZINC001076590157 685264072 /nfs/dbraw/zinc/26/40/72/685264072.db2.gz ZGYLEHGCBFDNSR-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)S(C)(=O)=O ZINC001076590158 685264289 /nfs/dbraw/zinc/26/42/89/685264289.db2.gz ZGYLEHGCBFDNSR-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)CN1CC(=O)NC1=O ZINC001076594993 685265031 /nfs/dbraw/zinc/26/50/31/685265031.db2.gz ARDYIVBKGJPNAP-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)CS(=O)(=O)N(C)C ZINC001076595148 685264953 /nfs/dbraw/zinc/26/49/53/685264953.db2.gz HPPQEGFJEKJLHK-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)CN1CCNC(=O)C1 ZINC001076596169 685264843 /nfs/dbraw/zinc/26/48/43/685264843.db2.gz ABMKTTFHFGLTPD-ZDUSSCGKSA-N 1 0 339.440 -1.475 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001076596372 685265070 /nfs/dbraw/zinc/26/50/70/685265070.db2.gz HZZUUNFWIQMUJG-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)CN1CCOCC1=O ZINC001076596947 685265095 /nfs/dbraw/zinc/26/50/95/685265095.db2.gz TWUJOEHQUXLYSL-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001076597246 685265176 /nfs/dbraw/zinc/26/51/76/685265176.db2.gz BJAQEXADMPUDQO-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)CN(C)S(C)(=O)=O ZINC001076597287 685265089 /nfs/dbraw/zinc/26/50/89/685265089.db2.gz DHFMRMPDMDXNRQ-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)CN1C(=O)CNC1=O ZINC001076597468 685264902 /nfs/dbraw/zinc/26/49/02/685264902.db2.gz IAWWAUBUVUQBSE-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001076597604 685265051 /nfs/dbraw/zinc/26/50/51/685265051.db2.gz KQMVVOQTUUDEGG-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001076597645 685265057 /nfs/dbraw/zinc/26/50/57/685265057.db2.gz LYSCAWPMSNTYOY-NSHDSACASA-N 1 0 349.457 -1.853 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001076597992 685265115 /nfs/dbraw/zinc/26/51/15/685265115.db2.gz VMVPGWOUZNNARC-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001076597995 685265035 /nfs/dbraw/zinc/26/50/35/685265035.db2.gz VMVPGWOUZNNARC-RYUDHWBXSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)Cn1ncn(C)c1=O ZINC001076598160 685265074 /nfs/dbraw/zinc/26/50/74/685265074.db2.gz YSCKNISVYKDTEZ-LBPRGKRZSA-N 1 0 338.412 -1.311 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)NC(=O)CC(N)=O ZINC001076601504 685264993 /nfs/dbraw/zinc/26/49/93/685264993.db2.gz SZROQJOOIUWMBO-NEPJUHHUSA-N 1 0 328.413 -1.159 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC001076601505 685265147 /nfs/dbraw/zinc/26/51/47/685265147.db2.gz SZROQJOOIUWMBO-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)NC(=O)CNC(N)=O ZINC001076601601 685265080 /nfs/dbraw/zinc/26/50/80/685265080.db2.gz YCVGJIRTGOQGBN-NEPJUHHUSA-N 1 0 343.428 -1.366 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)NC(=O)CNC(N)=O ZINC001076601602 685265003 /nfs/dbraw/zinc/26/50/03/685265003.db2.gz YCVGJIRTGOQGBN-RYUDHWBXSA-N 1 0 343.428 -1.366 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)nn1 ZINC001076607493 685265130 /nfs/dbraw/zinc/26/51/30/685265130.db2.gz IVZCWGJXWHKEHC-WCQYABFASA-N 1 0 336.396 -1.495 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC001076607553 685264976 /nfs/dbraw/zinc/26/49/76/685264976.db2.gz NBPQIKDPWXNIDO-MVWJERBFSA-N 1 0 347.379 -2.202 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC001076607554 685264827 /nfs/dbraw/zinc/26/48/27/685264827.db2.gz NBPQIKDPWXNIDO-ZMLRMANQSA-N 1 0 347.379 -2.202 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607584 685265019 /nfs/dbraw/zinc/26/50/19/685265019.db2.gz PGFOAPOOZABMGG-GMXVVIOVSA-N 1 0 336.396 -1.055 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607585 685264932 /nfs/dbraw/zinc/26/49/32/685264932.db2.gz PGFOAPOOZABMGG-NTZNESFSSA-N 1 0 336.396 -1.055 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)nn1 ZINC001076607640 685265690 /nfs/dbraw/zinc/26/56/90/685265690.db2.gz UEDNQPQLVXFFFQ-MBNYWOFBSA-N 1 0 348.407 -1.054 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)nn1 ZINC001076607641 685265777 /nfs/dbraw/zinc/26/57/77/685265777.db2.gz UEDNQPQLVXFFFQ-SGMGOOAPSA-N 1 0 348.407 -1.054 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607695 685265611 /nfs/dbraw/zinc/26/56/11/685265611.db2.gz YUGLMJNHYQEOJV-GMXVVIOVSA-N 1 0 336.396 -1.055 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607696 685265809 /nfs/dbraw/zinc/26/58/09/685265809.db2.gz YUGLMJNHYQEOJV-NTZNESFSSA-N 1 0 336.396 -1.055 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n(C)c1=O ZINC001076614826 685265787 /nfs/dbraw/zinc/26/57/87/685265787.db2.gz FBCGBMZKLDDNJL-QJPTWQEYSA-N 1 0 333.392 -1.241 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n(C)c1=O ZINC001076614827 685265714 /nfs/dbraw/zinc/26/57/14/685265714.db2.gz FBCGBMZKLDDNJL-SDDRHHMPSA-N 1 0 333.392 -1.241 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC(=O)CC[NH+](C)C ZINC001076617722 685266289 /nfs/dbraw/zinc/26/62/89/685266289.db2.gz 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C[C@@H](CCNC(=O)c1cnn(CC[NH+](C)C)c1)NC(=O)CC(N)=O ZINC001076721423 685278356 /nfs/dbraw/zinc/27/83/56/685278356.db2.gz QXUVLIBPHMWSKS-NSHDSACASA-N 1 0 338.412 -1.055 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001076722928 685278644 /nfs/dbraw/zinc/27/86/44/685278644.db2.gz CHXFWUJLUSVKNT-IJLUTSLNSA-N 1 0 336.356 -2.908 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001076722929 685278993 /nfs/dbraw/zinc/27/89/93/685278993.db2.gz CHXFWUJLUSVKNT-QJPTWQEYSA-N 1 0 336.356 -2.908 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCCC3=O)C2)cc1=O ZINC001076722989 685278567 /nfs/dbraw/zinc/27/85/67/685278567.db2.gz FQFWRZGUDVNKND-ZIAGYGMSSA-N 1 0 348.403 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001076723171 685278928 /nfs/dbraw/zinc/27/89/28/685278928.db2.gz NVAQPKIJMILSBH-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)cc1=O ZINC001076723172 685278752 /nfs/dbraw/zinc/27/87/52/685278752.db2.gz NWVFUVHQSHNYLI-VXGBXAGGSA-N 1 0 333.352 -2.267 20 0 EAADRO Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723864 685279796 /nfs/dbraw/zinc/27/97/96/685279796.db2.gz CDOYZFSWTZWKFJ-GHMZBOCLSA-N 1 0 337.409 -1.158 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001076723893 685279588 /nfs/dbraw/zinc/27/95/88/685279588.db2.gz DSIKWSVAQLTLNI-IJLUTSLNSA-N 1 0 337.384 -2.249 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001076723894 685279518 /nfs/dbraw/zinc/27/95/18/685279518.db2.gz DSIKWSVAQLTLNI-QJPTWQEYSA-N 1 0 337.384 -2.249 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001076724090 685279379 /nfs/dbraw/zinc/27/93/79/685279379.db2.gz JAUIDVXVPAUMEA-MGPQQGTHSA-N 1 0 332.364 -1.432 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001076724100 685279273 /nfs/dbraw/zinc/27/92/73/685279273.db2.gz JLPBNMSTDOSYSF-HZSPNIEDSA-N 1 0 338.412 -1.224 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001076724101 685279453 /nfs/dbraw/zinc/27/94/53/685279453.db2.gz JLPBNMSTDOSYSF-MGPQQGTHSA-N 1 0 338.412 -1.224 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001076724118 685279295 /nfs/dbraw/zinc/27/92/95/685279295.db2.gz KKDGPZCGYGFASN-RBSFLKMASA-N 1 0 346.391 -1.562 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001076724119 685279555 /nfs/dbraw/zinc/27/95/55/685279555.db2.gz KKDGPZCGYGFASN-RRFJBIMHSA-N 1 0 346.391 -1.562 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CCN(C)S1(=O)=O)NC(=O)CC[NH+](C)C ZINC001076724216 685280676 /nfs/dbraw/zinc/28/06/76/685280676.db2.gz ZZASWONGCWQKKE-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CCN(C)S1(=O)=O)NC(=O)CC[NH+](C)C ZINC001076724217 685280072 /nfs/dbraw/zinc/28/00/72/685280072.db2.gz ZZASWONGCWQKKE-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076724275 685280332 /nfs/dbraw/zinc/28/03/32/685280332.db2.gz NCEMBFUPZDPURH-ZIAGYGMSSA-N 1 0 332.364 -1.473 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001076724289 685280163 /nfs/dbraw/zinc/28/01/63/685280163.db2.gz NRDLDQRBKQTSCP-GMTAPVOTSA-N 1 0 333.356 -2.387 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001076724290 685280209 /nfs/dbraw/zinc/28/02/09/685280209.db2.gz NRDLDQRBKQTSCP-HBNTYKKESA-N 1 0 333.356 -2.387 20 0 EAADRO CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)cn1 ZINC001076724440 685280383 /nfs/dbraw/zinc/28/03/83/685280383.db2.gz VRTCCGHRAQUPTR-CHWSQXEVSA-N 1 0 334.384 -1.707 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)cn1 ZINC001076727125 685280352 /nfs/dbraw/zinc/28/03/52/685280352.db2.gz IRCOXQQQQOCWNW-JHJVBQTASA-N 1 0 331.380 -1.026 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)cn1 ZINC001076727126 685280279 /nfs/dbraw/zinc/28/02/79/685280279.db2.gz IRCOXQQQQOCWNW-YNEHKIRRSA-N 1 0 331.380 -1.026 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)cn1 ZINC001076727498 685281357 /nfs/dbraw/zinc/28/13/57/685281357.db2.gz PTDWHTWHTXORKG-BFHYXJOUSA-N 1 0 334.380 -1.547 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)cn1 ZINC001076727499 685281049 /nfs/dbraw/zinc/28/10/49/685281049.db2.gz PTDWHTWHTXORKG-MGPQQGTHSA-N 1 0 334.380 -1.547 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001076728520 685281342 /nfs/dbraw/zinc/28/13/42/685281342.db2.gz KXZXVVHPIIJNNH-ZIAGYGMSSA-N 1 0 335.408 -1.254 20 0 EAADRO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001076728546 685281153 /nfs/dbraw/zinc/28/11/53/685281153.db2.gz LUIQOSBSOSWLQT-JHJVBQTASA-N 1 0 348.407 -1.451 20 0 EAADRO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001076728547 685280915 /nfs/dbraw/zinc/28/09/15/685280915.db2.gz LUIQOSBSOSWLQT-YNEHKIRRSA-N 1 0 348.407 -1.451 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCCC3=O)C2)cn1 ZINC001076728567 685281189 /nfs/dbraw/zinc/28/11/89/685281189.db2.gz MLZBCDPPAOFBAL-ZIAGYGMSSA-N 1 0 335.408 -1.254 20 0 EAADRO C[C@@H](CCNC(=O)c1ccn(CC[NH+](C)C)n1)NC(=O)CC(N)=O ZINC001076733092 685281219 /nfs/dbraw/zinc/28/12/19/685281219.db2.gz RIWNSYJKCIMMQP-NSHDSACASA-N 1 0 338.412 -1.055 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076737442 685282175 /nfs/dbraw/zinc/28/21/75/685282175.db2.gz KELMKSDDNDYCCL-VXGBXAGGSA-N 1 0 335.364 -1.269 20 0 EAADRO Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)cnn1C ZINC001076738820 685281905 /nfs/dbraw/zinc/28/19/05/685281905.db2.gz VEUFAGXSEYPFMT-BPLDGKMQSA-N 1 0 348.407 -1.239 20 0 EAADRO Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)cnn1C ZINC001076738821 685281732 /nfs/dbraw/zinc/28/17/32/685281732.db2.gz VEUFAGXSEYPFMT-NWANDNLSSA-N 1 0 348.407 -1.239 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)cc1=O ZINC001076741256 685281265 /nfs/dbraw/zinc/28/12/65/685281265.db2.gz BLEWLVJBWWVJCY-ZIAGYGMSSA-N 1 0 331.376 -1.057 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076744065 685282027 /nfs/dbraw/zinc/28/20/27/685282027.db2.gz OODOZNLVGWFQPG-VXGBXAGGSA-N 1 0 335.364 -1.807 20 0 EAADRO Cc1ccc(C(=O)N[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@H]2O)n1C ZINC001076744951 685282004 /nfs/dbraw/zinc/28/20/04/685282004.db2.gz GLBJDXCNTUEXSE-DGCLKSJQSA-N 1 0 349.391 -1.340 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001076746439 685281715 /nfs/dbraw/zinc/28/17/15/685281715.db2.gz BHVWUNGJUQDPRS-BFHYXJOUSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001076746440 685282104 /nfs/dbraw/zinc/28/21/04/685282104.db2.gz BHVWUNGJUQDPRS-MGPQQGTHSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001076746621 685282081 /nfs/dbraw/zinc/28/20/81/685282081.db2.gz JRECUFOSEONNRK-JHJVBQTASA-N 1 0 331.380 -1.177 20 0 EAADRO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001076746622 685281985 /nfs/dbraw/zinc/28/19/85/685281985.db2.gz JRECUFOSEONNRK-YNEHKIRRSA-N 1 0 331.380 -1.177 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076748446 685281700 /nfs/dbraw/zinc/28/17/00/685281700.db2.gz YRRVMFYEGZVXHV-QJPTWQEYSA-N 1 0 348.469 -1.113 20 0 EAADRO C[C@@H](CCNC(=O)Cn1cnc(C(N)=O)n1)NC(=O)CC[NH+](C)C ZINC001076749488 685283244 /nfs/dbraw/zinc/28/32/44/685283244.db2.gz XQGUAPVKEPBDST-JTQLQIEISA-N 1 0 339.400 -1.660 20 0 EAADRO Cn1cccc1C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076750992 685283336 /nfs/dbraw/zinc/28/33/36/685283336.db2.gz QREDBYXVUWGBIQ-DGCLKSJQSA-N 1 0 349.391 -1.258 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[C@@H]1COCCO1 ZINC001076763137 685283805 /nfs/dbraw/zinc/28/38/05/685283805.db2.gz ATONFZBUDNRPMZ-MCIONIFRSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[C@H]1COCCO1 ZINC001076763138 685284213 /nfs/dbraw/zinc/28/42/13/685284213.db2.gz ATONFZBUDNRPMZ-MGPQQGTHSA-N 1 0 341.408 -1.424 20 0 EAADRO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001076767156 685285619 /nfs/dbraw/zinc/28/56/19/685285619.db2.gz TXMBLVPTKDWWGY-BPLDGKMQSA-N 1 0 346.391 -1.182 20 0 EAADRO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001076767157 685285670 /nfs/dbraw/zinc/28/56/70/685285670.db2.gz TXMBLVPTKDWWGY-NWANDNLSSA-N 1 0 346.391 -1.182 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)c1 ZINC001076777809 685286706 /nfs/dbraw/zinc/28/67/06/685286706.db2.gz CDPAKANZIDBLSC-RBSFLKMASA-N 1 0 348.407 -1.390 20 0 EAADRO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)c1 ZINC001076777810 685286436 /nfs/dbraw/zinc/28/64/36/685286436.db2.gz CDPAKANZIDBLSC-RRFJBIMHSA-N 1 0 348.407 -1.390 20 0 EAADRO 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ZINC001076960786 685321828 /nfs/dbraw/zinc/32/18/28/685321828.db2.gz UOQWPBBRWLJLCI-CHWSQXEVSA-N 1 0 347.375 -1.019 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)o1 ZINC001076961711 685319953 /nfs/dbraw/zinc/31/99/53/685319953.db2.gz BQPMMEXHEMGRJK-IJLUTSLNSA-N 1 0 347.379 -1.139 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)o1 ZINC001076961715 685320341 /nfs/dbraw/zinc/32/03/41/685320341.db2.gz BQPMMEXHEMGRJK-QJPTWQEYSA-N 1 0 347.379 -1.139 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)n1 ZINC001076964203 685322109 /nfs/dbraw/zinc/32/21/09/685322109.db2.gz QXGCFCJSLNOMON-IJLUTSLNSA-N 1 0 336.396 -1.494 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)n1 ZINC001076964204 685322515 /nfs/dbraw/zinc/32/25/15/685322515.db2.gz QXGCFCJSLNOMON-QJPTWQEYSA-N 1 0 336.396 -1.494 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076967644 685323045 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ZINC001076981493 685325059 /nfs/dbraw/zinc/32/50/59/685325059.db2.gz BSDGULAXSLMDAE-MGPQQGTHSA-N 1 0 348.407 -1.239 20 0 EAADRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)nn1 ZINC001076982698 685324943 /nfs/dbraw/zinc/32/49/43/685324943.db2.gz FHWPFTYLAYGLDE-BPLDGKMQSA-N 1 0 346.391 -1.182 20 0 EAADRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)nn1 ZINC001076982699 685324681 /nfs/dbraw/zinc/32/46/81/685324681.db2.gz FHWPFTYLAYGLDE-NWANDNLSSA-N 1 0 346.391 -1.182 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)n1 ZINC001076984144 685327023 /nfs/dbraw/zinc/32/70/23/685327023.db2.gz YFGIRBAEKDUYLV-BFHYXJOUSA-N 1 0 345.407 -1.097 20 0 EAADRO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)n1 ZINC001076984145 685327498 /nfs/dbraw/zinc/32/74/98/685327498.db2.gz YFGIRBAEKDUYLV-MGPQQGTHSA-N 1 0 345.407 -1.097 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)OC)C[C@H]2O)nn1 ZINC001076984911 685327148 /nfs/dbraw/zinc/32/71/48/685327148.db2.gz KADANARQOHTLOX-DMDPSCGWSA-N 1 0 327.385 -1.266 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2O)nn1 ZINC001076984912 685327267 /nfs/dbraw/zinc/32/72/67/685327267.db2.gz KADANARQOHTLOX-NQBHXWOUSA-N 1 0 327.385 -1.266 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)nn1 ZINC001076985058 685327604 /nfs/dbraw/zinc/32/76/04/685327604.db2.gz QQTYNXLPIIKLJZ-OUCADQQQSA-N 1 0 339.396 -1.264 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)nn1 ZINC001076985059 685326974 /nfs/dbraw/zinc/32/69/74/685326974.db2.gz QQTYNXLPIIKLJZ-YRGRVCCFSA-N 1 0 339.396 -1.264 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2O)nn1 ZINC001076985171 685327583 /nfs/dbraw/zinc/32/75/83/685327583.db2.gz WTUPWAJEXCNPPX-DMDPSCGWSA-N 1 0 327.385 -1.266 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2O)nn1 ZINC001076985172 685327381 /nfs/dbraw/zinc/32/73/81/685327381.db2.gz WTUPWAJEXCNPPX-NQBHXWOUSA-N 1 0 327.385 -1.266 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001076985854 685328313 /nfs/dbraw/zinc/32/83/13/685328313.db2.gz AQWXZDLDOXTGSO-FRRDWIJNSA-N 1 0 337.428 -1.256 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001076985855 685328225 /nfs/dbraw/zinc/32/82/25/685328225.db2.gz AQWXZDLDOXTGSO-JHJVBQTASA-N 1 0 337.428 -1.256 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001076986365 685328629 /nfs/dbraw/zinc/32/86/29/685328629.db2.gz VQOLCNPIXQOQEL-FRRDWIJNSA-N 1 0 337.428 -1.256 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001076986366 685328707 /nfs/dbraw/zinc/32/87/07/685328707.db2.gz VQOLCNPIXQOQEL-JHJVBQTASA-N 1 0 337.428 -1.256 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)c1C ZINC001076987434 685328438 /nfs/dbraw/zinc/32/84/38/685328438.db2.gz QVNIEGCFGVMPFC-ZIAGYGMSSA-N 1 0 326.397 -1.005 20 0 EAADRO 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COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)c(C)n1 ZINC001076992352 685327070 /nfs/dbraw/zinc/32/70/70/685327070.db2.gz QEEAMVVQZUBZGC-ZLKJLUDKSA-N 1 0 326.397 -1.006 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)c(C)n1 ZINC001076992401 685327097 /nfs/dbraw/zinc/32/70/97/685327097.db2.gz SAJORILIIYVLHP-ZIAGYGMSSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)c1C ZINC001076992420 685327423 /nfs/dbraw/zinc/32/74/23/685327423.db2.gz SULRQCSUJOSOKC-LERXQTSPSA-N 1 0 326.397 -1.006 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)c1C ZINC001076992421 685327331 /nfs/dbraw/zinc/32/73/31/685327331.db2.gz SULRQCSUJOSOKC-ZLKJLUDKSA-N 1 0 326.397 -1.006 20 0 EAADRO C[C@@H](CCNC(=O)CN1CCCS1(=O)=O)NC(=O)CC[NH+](C)C ZINC001077001075 685333673 /nfs/dbraw/zinc/33/36/73/685333673.db2.gz FEDAWMZOEQECSL-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)cc1=O ZINC001077001614 685330214 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O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001077002913 685331817 /nfs/dbraw/zinc/33/18/17/685331817.db2.gz MAZZTRQMRHAKAE-MGPQQGTHSA-N 1 0 332.364 -1.432 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002915 685331796 /nfs/dbraw/zinc/33/17/96/685331796.db2.gz MBTSCVHBAJGBHR-IJLUTSLNSA-N 1 0 341.408 -1.032 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077002916 685332104 /nfs/dbraw/zinc/33/21/04/685332104.db2.gz MBTSCVHBAJGBHR-QJPTWQEYSA-N 1 0 341.408 -1.032 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001077003050 685331952 /nfs/dbraw/zinc/33/19/52/685331952.db2.gz QOTMEQTVCOMEPG-HZSPNIEDSA-N 1 0 338.412 -1.224 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001077003051 685332515 /nfs/dbraw/zinc/33/25/15/685332515.db2.gz QOTMEQTVCOMEPG-MGPQQGTHSA-N 1 0 338.412 -1.224 20 0 EAADRO Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003077 685332018 /nfs/dbraw/zinc/33/20/18/685332018.db2.gz RIYDVHXLFPJEQV-GHMZBOCLSA-N 1 0 337.409 -1.158 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077003133 685331828 /nfs/dbraw/zinc/33/18/28/685331828.db2.gz UPZGRSHKZKOBRW-GMTAPVOTSA-N 1 0 327.381 -1.686 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001077003134 685332162 /nfs/dbraw/zinc/33/21/62/685332162.db2.gz UPZGRSHKZKOBRW-HBNTYKKESA-N 1 0 327.381 -1.686 20 0 EAADRO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077003157 685331731 /nfs/dbraw/zinc/33/17/31/685331731.db2.gz VWTKHIUUMOIRPQ-RBSFLKMASA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077003158 685332590 /nfs/dbraw/zinc/33/25/90/685332590.db2.gz VWTKHIUUMOIRPQ-RRFJBIMHSA-N 1 0 334.424 -1.182 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077003241 685332576 /nfs/dbraw/zinc/33/25/76/685332576.db2.gz ZWCAPEYZTHGXBU-IJLUTSLNSA-N 1 0 337.384 -2.249 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077003242 685331737 /nfs/dbraw/zinc/33/17/37/685331737.db2.gz ZWCAPEYZTHGXBU-QJPTWQEYSA-N 1 0 337.384 -2.249 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077003951 685332642 /nfs/dbraw/zinc/33/26/42/685332642.db2.gz GZYBZEXJBJKELV-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001077004040 685331766 /nfs/dbraw/zinc/33/17/66/685331766.db2.gz KKMBNAZGNPHGNG-IJLUTSLNSA-N 1 0 336.356 -2.908 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001077004041 685332057 /nfs/dbraw/zinc/33/20/57/685332057.db2.gz KKMBNAZGNPHGNG-QJPTWQEYSA-N 1 0 336.356 -2.908 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001077004128 685332032 /nfs/dbraw/zinc/33/20/32/685332032.db2.gz OQFKDZPQAUMQSS-GMTAPVOTSA-N 1 0 333.356 -2.387 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001077004129 685331930 /nfs/dbraw/zinc/33/19/30/685331930.db2.gz OQFKDZPQAUMQSS-HBNTYKKESA-N 1 0 333.356 -2.387 20 0 EAADRO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007143 685333156 /nfs/dbraw/zinc/33/31/56/685333156.db2.gz AUPTWSMBDHFDQY-JHJVBQTASA-N 1 0 335.412 -1.787 20 0 EAADRO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007144 685333060 /nfs/dbraw/zinc/33/30/60/685333060.db2.gz AUPTWSMBDHFDQY-YNEHKIRRSA-N 1 0 335.412 -1.787 20 0 EAADRO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007145 685333055 /nfs/dbraw/zinc/33/30/55/685333055.db2.gz AVHAAEJTNRCEOG-BFHYXJOUSA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007146 685333447 /nfs/dbraw/zinc/33/34/47/685333447.db2.gz AVHAAEJTNRCEOG-MGPQQGTHSA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001077007170 685333282 /nfs/dbraw/zinc/33/32/82/685333282.db2.gz BQLVTUZVHFXXDJ-RBSFLKMASA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001077007171 685333321 /nfs/dbraw/zinc/33/33/21/685333321.db2.gz BQLVTUZVHFXXDJ-RRFJBIMHSA-N 1 0 334.424 -1.182 20 0 EAADRO O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001077007247 685332798 /nfs/dbraw/zinc/33/27/98/685332798.db2.gz FYTGQCILXDGLGY-RBSFLKMASA-N 1 0 336.436 -1.278 20 0 EAADRO O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001077007248 685333162 /nfs/dbraw/zinc/33/31/62/685333162.db2.gz FYTGQCILXDGLGY-RRFJBIMHSA-N 1 0 336.436 -1.278 20 0 EAADRO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007274 685333315 /nfs/dbraw/zinc/33/33/15/685333315.db2.gz GXNFLVTYVZVYQM-RBSFLKMASA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007275 685333271 /nfs/dbraw/zinc/33/32/71/685333271.db2.gz GXNFLVTYVZVYQM-RRFJBIMHSA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077007408 685333161 /nfs/dbraw/zinc/33/31/61/685333161.db2.gz LZUFFYMVIKSBQH-JHJVBQTASA-N 1 0 335.412 -1.787 20 0 EAADRO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077007409 685333025 /nfs/dbraw/zinc/33/30/25/685333025.db2.gz LZUFFYMVIKSBQH-YNEHKIRRSA-N 1 0 335.412 -1.787 20 0 EAADRO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007483 685332864 /nfs/dbraw/zinc/33/28/64/685332864.db2.gz OODCMANVYJYCEA-BFHYXJOUSA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007484 685333266 /nfs/dbraw/zinc/33/32/66/685333266.db2.gz OODCMANVYJYCEA-MGPQQGTHSA-N 1 0 334.424 -1.182 20 0 EAADRO O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001077007512 685333392 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ZINC001077122404 685351178 /nfs/dbraw/zinc/35/11/78/685351178.db2.gz MWMRYCWDAGJQJR-MGPQQGTHSA-N 1 0 335.408 -1.039 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1=O ZINC001077123522 685352289 /nfs/dbraw/zinc/35/22/89/685352289.db2.gz INVWSNMWCJRFSP-BFHYXJOUSA-N 1 0 348.403 -1.427 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1=O ZINC001077123523 685352003 /nfs/dbraw/zinc/35/20/03/685352003.db2.gz INVWSNMWCJRFSP-MGPQQGTHSA-N 1 0 348.403 -1.427 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001077124947 685355112 /nfs/dbraw/zinc/35/51/12/685355112.db2.gz FUGUAZFVUBITEZ-IACUBPJLSA-N 1 0 335.408 -1.350 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001077124949 685355129 /nfs/dbraw/zinc/35/51/29/685355129.db2.gz FUGUAZFVUBITEZ-MRVWCRGKSA-N 1 0 335.408 -1.350 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cn1 ZINC001077125384 685354496 /nfs/dbraw/zinc/35/44/96/685354496.db2.gz NNNHCUBAUUSCLH-BFHYXJOUSA-N 1 0 335.408 -1.350 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cn1 ZINC001077125386 685354732 /nfs/dbraw/zinc/35/47/32/685354732.db2.gz NNNHCUBAUUSCLH-MGPQQGTHSA-N 1 0 335.408 -1.350 20 0 EAADRO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)o1 ZINC001077127714 685352875 /nfs/dbraw/zinc/35/28/75/685352875.db2.gz GREAOAOAZZKAJX-BPLDGKMQSA-N 1 0 349.391 -1.056 20 0 EAADRO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)o1 ZINC001077127715 685352723 /nfs/dbraw/zinc/35/27/23/685352723.db2.gz GREAOAOAZZKAJX-NWANDNLSSA-N 1 0 349.391 -1.056 20 0 EAADRO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127831 685353169 /nfs/dbraw/zinc/35/31/69/685353169.db2.gz KYDDJSFRLDCALV-BFHYXJOUSA-N 1 0 326.441 -1.128 20 0 EAADRO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127832 685353302 /nfs/dbraw/zinc/35/33/02/685353302.db2.gz KYDDJSFRLDCALV-MGPQQGTHSA-N 1 0 326.441 -1.128 20 0 EAADRO O=C(N[C@@H]1CN(CCO)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128765 685353817 /nfs/dbraw/zinc/35/38/17/685353817.db2.gz DAAMLTWYFCYTMT-QLFBSQMISA-N 1 0 327.425 -1.217 20 0 EAADRO O=C(N[C@@H]1CN(CCO)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128766 685353868 /nfs/dbraw/zinc/35/38/68/685353868.db2.gz DAAMLTWYFCYTMT-RBSFLKMASA-N 1 0 327.425 -1.217 20 0 EAADRO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128847 685353521 /nfs/dbraw/zinc/35/35/21/685353521.db2.gz ICJGLCVIRBUJOM-HZSPNIEDSA-N 1 0 340.424 -1.724 20 0 EAADRO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128848 685354195 /nfs/dbraw/zinc/35/41/95/685354195.db2.gz ICJGLCVIRBUJOM-MGPQQGTHSA-N 1 0 340.424 -1.724 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077140854 685356719 /nfs/dbraw/zinc/35/67/19/685356719.db2.gz IIXMORBOGPVAHD-CHWSQXEVSA-N 1 0 337.380 -2.097 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1)OC ZINC001077140900 685357254 /nfs/dbraw/zinc/35/72/54/685357254.db2.gz KQOAQOQJLDONNL-JHJVBQTASA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1)OC ZINC001077140901 685357024 /nfs/dbraw/zinc/35/70/24/685357024.db2.gz KQOAQOQJLDONNL-YNEHKIRRSA-N 1 0 329.397 -1.569 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077140955 685357203 /nfs/dbraw/zinc/35/72/03/685357203.db2.gz NJKPIBPHBMEXKR-BFHYXJOUSA-N 1 0 341.408 -1.567 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077140956 685356438 /nfs/dbraw/zinc/35/64/38/685356438.db2.gz NJKPIBPHBMEXKR-MGPQQGTHSA-N 1 0 341.408 -1.567 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077141045 685356641 /nfs/dbraw/zinc/35/66/41/685356641.db2.gz SNYHVUZLBLDUHL-ZIAGYGMSSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077141055 685356866 /nfs/dbraw/zinc/35/68/66/685356866.db2.gz SXDHDJNYHBCIJV-BFHYXJOUSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077141056 685357147 /nfs/dbraw/zinc/35/71/47/685357147.db2.gz SXDHDJNYHBCIJV-MGPQQGTHSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077141109 685356464 /nfs/dbraw/zinc/35/64/64/685356464.db2.gz VUSJQNZMXNKIQR-BFHYXJOUSA-N 1 0 341.408 -1.567 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077141110 685356361 /nfs/dbraw/zinc/35/63/61/685356361.db2.gz VUSJQNZMXNKIQR-MGPQQGTHSA-N 1 0 341.408 -1.567 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077141771 685358032 /nfs/dbraw/zinc/35/80/32/685358032.db2.gz AWHBKVRAORNZJH-ZIAGYGMSSA-N 1 0 341.408 -1.567 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077141786 685357959 /nfs/dbraw/zinc/35/79/59/685357959.db2.gz BPKFYLYIVZWRSA-JHJVBQTASA-N 1 0 327.381 -1.957 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077141787 685358251 /nfs/dbraw/zinc/35/82/51/685358251.db2.gz BPKFYLYIVZWRSA-YNEHKIRRSA-N 1 0 327.381 -1.957 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077142017 685357857 /nfs/dbraw/zinc/35/78/57/685357857.db2.gz NNODWHNNAGBWJA-BFHYXJOUSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077142018 685358002 /nfs/dbraw/zinc/35/80/02/685358002.db2.gz NNODWHNNAGBWJA-MGPQQGTHSA-N 1 0 341.408 -1.424 20 0 EAADRO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH+](C)C ZINC001077151185 685359896 /nfs/dbraw/zinc/35/98/96/685359896.db2.gz HSBPLYQRPHWEMS-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH+](C)C ZINC001077151190 685360362 /nfs/dbraw/zinc/36/03/62/685360362.db2.gz HXTWMZRDFHLDQO-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH+](C)C ZINC001077152180 685360689 /nfs/dbraw/zinc/36/06/89/685360689.db2.gz HDRZITKEACFIAT-QWHCGFSZSA-N 1 0 341.456 -1.231 20 0 EAADRO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+](C)C ZINC001077152427 685360589 /nfs/dbraw/zinc/36/05/89/685360589.db2.gz RGSQOEBSPAQXSR-GARJFASQSA-N 1 0 341.412 -1.064 20 0 EAADRO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)NC)[NH+](C)C ZINC001077152540 685360234 /nfs/dbraw/zinc/36/02/34/685360234.db2.gz WOYMYTTYWMBDDE-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O)[NH+](C)C ZINC001077152574 685360204 /nfs/dbraw/zinc/36/02/04/685360204.db2.gz XUUSFZQUAUGYIQ-GARJFASQSA-N 1 0 341.412 -1.064 20 0 EAADRO CC[C@H](C(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH+](C)C ZINC001077152581 685360703 /nfs/dbraw/zinc/36/07/03/685360703.db2.gz YBHHXGUVAVTRSW-NWDGAFQWSA-N 1 0 340.428 -1.067 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077156437 685361551 /nfs/dbraw/zinc/36/15/51/685361551.db2.gz DKZYTHZPDAQBGM-QJPTWQEYSA-N 1 0 340.380 -1.828 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001077156709 685360926 /nfs/dbraw/zinc/36/09/26/685360926.db2.gz KJDKDCPVQVEDBG-YNEHKIRRSA-N 1 0 332.360 -1.054 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001077156900 685361173 /nfs/dbraw/zinc/36/11/73/685361173.db2.gz MRRNLLUXXPBJSX-BFHYXJOUSA-N 1 0 346.387 -1.012 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077156930 685360821 /nfs/dbraw/zinc/36/08/21/685360821.db2.gz NZNILVOECIHIQI-IVZWLZJFSA-N 1 0 346.334 -1.209 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077157134 685362235 /nfs/dbraw/zinc/36/22/35/685362235.db2.gz URXDKURIGJKNID-HBNTYKKESA-N 1 0 336.352 -2.358 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077157156 685362991 /nfs/dbraw/zinc/36/29/91/685362991.db2.gz VQLOKJVDEFLJQD-QJPTWQEYSA-N 1 0 340.380 -1.685 20 0 EAADRO C[C@@H](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001077157863 685362467 /nfs/dbraw/zinc/36/24/67/685362467.db2.gz GBCPYFSICNQVRL-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077160351 685362281 /nfs/dbraw/zinc/36/22/81/685362281.db2.gz WQHDWZFJLWRVGJ-MYPMTAMASA-N 1 0 338.408 -1.072 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077162046 685363326 /nfs/dbraw/zinc/36/33/26/685363326.db2.gz ADRPIVPYYHBIER-ZIAGYGMSSA-N 1 0 346.391 -1.469 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)cc1=O ZINC001077162075 685363692 /nfs/dbraw/zinc/36/36/92/685363692.db2.gz BMSMCHNNBKTVAP-IACUBPJLSA-N 1 0 336.392 -1.018 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)cc1=O ZINC001077162076 685363529 /nfs/dbraw/zinc/36/35/29/685363529.db2.gz BMSMCHNNBKTVAP-MRVWCRGKSA-N 1 0 336.392 -1.018 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)cc1=O ZINC001077162110 685363289 /nfs/dbraw/zinc/36/32/89/685363289.db2.gz CYYCYQPGVFPOKG-IACUBPJLSA-N 1 0 336.392 -1.018 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)cc1=O ZINC001077162111 685363625 /nfs/dbraw/zinc/36/36/25/685363625.db2.gz CYYCYQPGVFPOKG-MRVWCRGKSA-N 1 0 336.392 -1.018 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)cn1 ZINC001077162310 685365061 /nfs/dbraw/zinc/36/50/61/685365061.db2.gz OWYKABFIKYDFEU-ZIAGYGMSSA-N 1 0 346.391 -1.469 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)cc1=O ZINC001077163159 685364400 /nfs/dbraw/zinc/36/44/00/685364400.db2.gz CSONJJNUVXJXDT-ZIAGYGMSSA-N 1 0 336.392 -1.018 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CCCN1c1ncccn1 ZINC001077165619 685364565 /nfs/dbraw/zinc/36/45/65/685364565.db2.gz VZJWSXVAJQKPFJ-HZSPNIEDSA-N 1 0 335.408 -1.011 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1CCCN1c1ncccn1 ZINC001077165620 685364676 /nfs/dbraw/zinc/36/46/76/685364676.db2.gz 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Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001077237378 685380274 /nfs/dbraw/zinc/38/02/74/685380274.db2.gz HUIYRMVAJRGPBD-GRYCIOLGSA-N 1 0 338.412 -1.746 20 0 EAADRO Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001077237379 685380173 /nfs/dbraw/zinc/38/01/73/685380173.db2.gz HUIYRMVAJRGPBD-IJLUTSLNSA-N 1 0 338.412 -1.746 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001077242136 685381101 /nfs/dbraw/zinc/38/11/01/685381101.db2.gz HDXPSMQDDVAMIZ-CYZMBNFOSA-N 1 0 332.360 -1.150 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001077242137 685381487 /nfs/dbraw/zinc/38/14/87/685381487.db2.gz HDXPSMQDDVAMIZ-RAIGVLPGSA-N 1 0 332.360 -1.150 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1cnc2ccccn2c1=O ZINC001077242151 685380796 /nfs/dbraw/zinc/38/07/96/685380796.db2.gz HUNJBSIGPSGSRN-CHWSQXEVSA-N 1 0 332.360 -1.148 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001077245149 685381522 /nfs/dbraw/zinc/38/15/22/685381522.db2.gz NJJFKMUDGQSLAU-BPLDGKMQSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001077245150 685380984 /nfs/dbraw/zinc/38/09/84/685380984.db2.gz NJJFKMUDGQSLAU-NWANDNLSSA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)C2)cn1 ZINC001077245252 685381331 /nfs/dbraw/zinc/38/13/31/685381331.db2.gz QUXRLUQIGGOMQT-RBSFLKMASA-N 1 0 349.435 -1.008 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)C2)cn1 ZINC001077245253 685381165 /nfs/dbraw/zinc/38/11/65/685381165.db2.gz QUXRLUQIGGOMQT-RRFJBIMHSA-N 1 0 349.435 -1.008 20 0 EAADRO COc1ccc2ncc(C(=O)N[C@@H]3C[N@H+](C[C@@H](C)O)C[C@H]3O)n2n1 ZINC001077254005 685383028 /nfs/dbraw/zinc/38/30/28/685383028.db2.gz HVENQZKNDGWFLX-CKYFFXLPSA-N 1 0 335.364 -1.106 20 0 EAADRO COc1ccc2ncc(C(=O)N[C@@H]3C[N@H+](C[C@H](C)O)C[C@H]3O)n2n1 ZINC001077254006 685383375 /nfs/dbraw/zinc/38/33/75/685383375.db2.gz HVENQZKNDGWFLX-HOSYDEDBSA-N 1 0 335.364 -1.106 20 0 EAADRO CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077254290 685382985 /nfs/dbraw/zinc/38/29/85/685382985.db2.gz VAOYUGUJPZWZML-ZIAGYGMSSA-N 1 0 326.441 -1.032 20 0 EAADRO COc1ccc2ncc(C(=O)N[C@@H]3C[N@H+](CCCO)C[C@H]3O)n2n1 ZINC001077254311 685383281 /nfs/dbraw/zinc/38/32/81/685383281.db2.gz VUUVSQKJKRLUHL-ZYHUDNBSSA-N 1 0 335.364 -1.105 20 0 EAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001077255777 685383322 /nfs/dbraw/zinc/38/33/22/685383322.db2.gz PLDPMJSNDGZVAA-GMTAPVOTSA-N 1 0 325.369 -1.646 20 0 EAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001077255778 685382941 /nfs/dbraw/zinc/38/29/41/685382941.db2.gz PLDPMJSNDGZVAA-HBNTYKKESA-N 1 0 325.369 -1.646 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001077257203 685386172 /nfs/dbraw/zinc/38/61/72/685386172.db2.gz ZHVPAWRPKBIRTB-GMTAPVOTSA-N 1 0 325.369 -1.910 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001077257204 685386219 /nfs/dbraw/zinc/38/62/19/685386219.db2.gz ZHVPAWRPKBIRTB-HBNTYKKESA-N 1 0 325.369 -1.910 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260408 685387258 /nfs/dbraw/zinc/38/72/58/685387258.db2.gz FVHFKIZYPVWIHK-JHJVBQTASA-N 1 0 328.413 -2.043 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260409 685387363 /nfs/dbraw/zinc/38/73/63/685387363.db2.gz FVHFKIZYPVWIHK-YNEHKIRRSA-N 1 0 328.413 -2.043 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260526 685386830 /nfs/dbraw/zinc/38/68/30/685386830.db2.gz KPQVFOWBYNFXCC-JHJVBQTASA-N 1 0 328.413 -2.043 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260527 685387112 /nfs/dbraw/zinc/38/71/12/685387112.db2.gz KPQVFOWBYNFXCC-YNEHKIRRSA-N 1 0 328.413 -2.043 20 0 EAADRO C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260730 685386910 /nfs/dbraw/zinc/38/69/10/685386910.db2.gz SJLWAKOOSNWCCT-JHJVBQTASA-N 1 0 330.404 -1.330 20 0 EAADRO C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260731 685387224 /nfs/dbraw/zinc/38/72/24/685387224.db2.gz SJLWAKOOSNWCCT-YNEHKIRRSA-N 1 0 330.404 -1.330 20 0 EAADRO CC[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260755 685386768 /nfs/dbraw/zinc/38/67/68/685386768.db2.gz UIZFSAVXYKWREQ-BFHYXJOUSA-N 1 0 326.441 -1.032 20 0 EAADRO CC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260756 685386975 /nfs/dbraw/zinc/38/69/75/685386975.db2.gz UIZFSAVXYKWREQ-MGPQQGTHSA-N 1 0 326.441 -1.032 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1)OC ZINC001077260799 685387448 /nfs/dbraw/zinc/38/74/48/685387448.db2.gz WKGGBJJAKGJVKX-BFHYXJOUSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1)OC ZINC001077260800 685387167 /nfs/dbraw/zinc/38/71/67/685387167.db2.gz WKGGBJJAKGJVKX-MGPQQGTHSA-N 1 0 342.440 -1.653 20 0 EAADRO CC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001077260842 685387547 /nfs/dbraw/zinc/38/75/47/685387547.db2.gz YINFKJKMJSACGX-NEXFUWMNSA-N 1 0 338.452 -1.032 20 0 EAADRO CN1CCN(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)CC1=O ZINC001077260848 685387188 /nfs/dbraw/zinc/38/71/88/685387188.db2.gz YNLRVRWNMMJCRE-BFHYXJOUSA-N 1 0 340.424 -2.042 20 0 EAADRO CN1CCN(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)CC1=O ZINC001077260849 685386941 /nfs/dbraw/zinc/38/69/41/685386941.db2.gz YNLRVRWNMMJCRE-MGPQQGTHSA-N 1 0 340.424 -2.042 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001077264050 685386784 /nfs/dbraw/zinc/38/67/84/685386784.db2.gz BBQINWZBWBYQHT-CHWSQXEVSA-N 1 0 349.395 -2.281 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)c1=O ZINC001077264088 685387339 /nfs/dbraw/zinc/38/73/39/685387339.db2.gz CKGCKYCUGTVFMF-JHJVBQTASA-N 1 0 339.396 -1.688 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)c1=O ZINC001077264089 685387202 /nfs/dbraw/zinc/38/72/02/685387202.db2.gz CKGCKYCUGTVFMF-YNEHKIRRSA-N 1 0 339.396 -1.688 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)c1=O ZINC001077264135 685388520 /nfs/dbraw/zinc/38/85/20/685388520.db2.gz FOJUQJPCZAVLKH-CHWSQXEVSA-N 1 0 349.395 -2.281 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)c1=O ZINC001077264137 685387982 /nfs/dbraw/zinc/38/79/82/685387982.db2.gz FQDPESMEGYTPIF-CHWSQXEVSA-N 1 0 339.396 -1.688 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)c1=O ZINC001077264187 685387786 /nfs/dbraw/zinc/38/77/86/685387786.db2.gz HWLGLZIZUUFYJS-ZIAGYGMSSA-N 1 0 331.376 -1.057 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)c1=O ZINC001077264193 685388038 /nfs/dbraw/zinc/38/80/38/685388038.db2.gz IKPLBKBBDQTKIZ-JHJVBQTASA-N 1 0 339.396 -1.688 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)c1=O ZINC001077264194 685388355 /nfs/dbraw/zinc/38/83/55/685388355.db2.gz IKPLBKBBDQTKIZ-YNEHKIRRSA-N 1 0 339.396 -1.688 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1)OC ZINC001077264259 685388502 /nfs/dbraw/zinc/38/85/02/685388502.db2.gz MBJXIUYBOLGGFD-IJLUTSLNSA-N 1 0 327.385 -1.832 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1)OC ZINC001077264260 685388213 /nfs/dbraw/zinc/38/82/13/685388213.db2.gz MBJXIUYBOLGGFD-QJPTWQEYSA-N 1 0 327.385 -1.832 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)c1=O ZINC001077264353 685388474 /nfs/dbraw/zinc/38/84/74/685388474.db2.gz PZZYEWTWYNRNMR-HUUCEWRRSA-N 1 0 345.403 -1.014 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)c1=O ZINC001077264396 685387963 /nfs/dbraw/zinc/38/79/63/685387963.db2.gz RZCPSNXKQJFIRZ-JHJVBQTASA-N 1 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Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)c1=O ZINC001077264486 685388631 /nfs/dbraw/zinc/38/86/31/685388631.db2.gz XBCYWWCAAOIZNM-CHWSQXEVSA-N 1 0 339.396 -1.830 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)c1=O ZINC001077264534 685387877 /nfs/dbraw/zinc/38/78/77/685387877.db2.gz ZRPDYEADEMXIRW-JHJVBQTASA-N 1 0 339.396 -1.830 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)c1=O ZINC001077264535 685387938 /nfs/dbraw/zinc/38/79/38/685387938.db2.gz ZRPDYEADEMXIRW-YNEHKIRRSA-N 1 0 339.396 -1.830 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001077274684 685390880 /nfs/dbraw/zinc/39/08/80/685390880.db2.gz YMHLVVFSOHLKRP-NSHDSACASA-N 1 0 343.428 -1.799 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001077279228 685391759 /nfs/dbraw/zinc/39/17/59/685391759.db2.gz CZMJAOHTNJSAAR-IACUBPJLSA-N 1 0 335.408 -1.350 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001077279229 685391433 /nfs/dbraw/zinc/39/14/33/685391433.db2.gz CZMJAOHTNJSAAR-MRVWCRGKSA-N 1 0 335.408 -1.350 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cn1 ZINC001077279778 685392241 /nfs/dbraw/zinc/39/22/41/685392241.db2.gz WWIZYBQVXRRPNN-BFHYXJOUSA-N 1 0 335.408 -1.350 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cn1 ZINC001077279779 685392920 /nfs/dbraw/zinc/39/29/20/685392920.db2.gz WWIZYBQVXRRPNN-MGPQQGTHSA-N 1 0 335.408 -1.350 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001077280652 685392442 /nfs/dbraw/zinc/39/24/42/685392442.db2.gz GXQABKWIAFGDCY-GMTAPVOTSA-N 1 0 336.352 -1.525 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001077280653 685392134 /nfs/dbraw/zinc/39/21/34/685392134.db2.gz GXQABKWIAFGDCY-HBNTYKKESA-N 1 0 336.352 -1.525 20 0 EAADRO O=C(Cn1nnc(-c2ccco2)n1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077280939 685392369 /nfs/dbraw/zinc/39/23/69/685392369.db2.gz QOBWJIOCYXXISG-GHMZBOCLSA-N 1 0 336.352 -1.523 20 0 EAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001077280944 685392580 /nfs/dbraw/zinc/39/25/80/685392580.db2.gz QSHPADDUAANZKD-GHMZBOCLSA-N 1 0 336.352 -1.259 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1=O ZINC001077281084 685392417 /nfs/dbraw/zinc/39/24/17/685392417.db2.gz VXLQUCVLXRLQRQ-BFHYXJOUSA-N 1 0 348.403 -1.427 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1=O ZINC001077281085 685392873 /nfs/dbraw/zinc/39/28/73/685392873.db2.gz VXLQUCVLXRLQRQ-MGPQQGTHSA-N 1 0 348.403 -1.427 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)ccc1=O ZINC001077293476 685398420 /nfs/dbraw/zinc/39/84/20/685398420.db2.gz AEOFDLLTLCTXFR-CHWSQXEVSA-N 1 0 325.365 -1.738 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)ccc1=O ZINC001077293796 685399475 /nfs/dbraw/zinc/39/94/75/685399475.db2.gz NRLOBRQNNWGFDM-ZIAGYGMSSA-N 1 0 339.392 -1.084 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)ccc1=O ZINC001077293811 685399372 /nfs/dbraw/zinc/39/93/72/685399372.db2.gz NXZCJAUWFSKKLO-IACUBPJLSA-N 1 0 339.392 -1.350 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)ccc1=O ZINC001077293821 685399011 /nfs/dbraw/zinc/39/90/11/685399011.db2.gz NXZCJAUWFSKKLO-MRVWCRGKSA-N 1 0 339.392 -1.350 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)ccc1=O ZINC001077294138 685399045 /nfs/dbraw/zinc/39/90/45/685399045.db2.gz VREJBHQORMQPTK-ZIAGYGMSSA-N 1 0 339.392 -1.348 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1)OC ZINC001077296760 685396205 /nfs/dbraw/zinc/39/62/05/685396205.db2.gz BHWGKCUGMMSJBJ-JHJVBQTASA-N 1 0 328.413 -1.012 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1)OC ZINC001077296761 685395997 /nfs/dbraw/zinc/39/59/97/685395997.db2.gz BHWGKCUGMMSJBJ-YNEHKIRRSA-N 1 0 328.413 -1.012 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077296902 685397517 /nfs/dbraw/zinc/39/75/17/685397517.db2.gz JWCYMGBQDWGDRD-BFHYXJOUSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077296903 685397488 /nfs/dbraw/zinc/39/74/88/685397488.db2.gz JWCYMGBQDWGDRD-MGPQQGTHSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077296968 685396728 /nfs/dbraw/zinc/39/67/28/685396728.db2.gz MWHLULUXSIQSBF-CHWSQXEVSA-N 1 0 336.396 -1.540 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077296979 685397043 /nfs/dbraw/zinc/39/70/43/685397043.db2.gz NKVJEHCQGWGLSY-ZIAGYGMSSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077297041 685397139 /nfs/dbraw/zinc/39/71/39/685397139.db2.gz QMFOCAIPZQZQIF-JHJVBQTASA-N 1 0 326.397 -1.401 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077297042 685396973 /nfs/dbraw/zinc/39/69/73/685396973.db2.gz QMFOCAIPZQZQIF-YNEHKIRRSA-N 1 0 326.397 -1.401 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077297191 685396847 /nfs/dbraw/zinc/39/68/47/685396847.db2.gz XLACTLHEFWRPJF-BFHYXJOUSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077297192 685396838 /nfs/dbraw/zinc/39/68/38/685396838.db2.gz XLACTLHEFWRPJF-MGPQQGTHSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1sccc1-n1cnnn1 ZINC001077299092 685397894 /nfs/dbraw/zinc/39/78/94/685397894.db2.gz PYASUHKTBZGNCB-MWLCHTKSSA-N 1 0 338.393 -1.119 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001077299166 685397946 /nfs/dbraw/zinc/39/79/46/685397946.db2.gz SBQKBHDHDWNTSD-FXPVBKGRSA-N 1 0 338.393 -1.121 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001077299167 685398370 /nfs/dbraw/zinc/39/83/70/685398370.db2.gz SBQKBHDHDWNTSD-IQJOONFLSA-N 1 0 338.393 -1.121 20 0 EAADRO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001077299423 685399737 /nfs/dbraw/zinc/39/97/37/685399737.db2.gz AKWADNIEPUYBLI-VXGBXAGGSA-N 1 0 335.412 -1.500 20 0 EAADRO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077300051 685399428 /nfs/dbraw/zinc/39/94/28/685399428.db2.gz VGBMYTXFQMBYLH-VXGBXAGGSA-N 1 0 335.412 -1.500 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1cnc2c(c1)NC(=O)CO2 ZINC001077308809 685400961 /nfs/dbraw/zinc/40/09/61/685400961.db2.gz MJOAQODPBCVESJ-VXGBXAGGSA-N 1 0 336.348 -1.430 20 0 EAADRO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077310917 685401667 /nfs/dbraw/zinc/40/16/67/685401667.db2.gz IEMUZFXEQVJLFY-CHWSQXEVSA-N 1 0 342.363 -1.167 20 0 EAADRO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001077310992 685401560 /nfs/dbraw/zinc/40/15/60/685401560.db2.gz MEFDDAMXDKWRKE-CHWSQXEVSA-N 1 0 342.363 -1.167 20 0 EAADRO O=C(N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077312170 685401681 /nfs/dbraw/zinc/40/16/81/685401681.db2.gz QSNKQIZASMJNSS-HZSPNIEDSA-N 1 0 329.360 -1.002 20 0 EAADRO O=C(N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077312171 685401896 /nfs/dbraw/zinc/40/18/96/685401896.db2.gz QSNKQIZASMJNSS-MGPQQGTHSA-N 1 0 329.360 -1.002 20 0 EAADRO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001077313304 685401467 /nfs/dbraw/zinc/40/14/67/685401467.db2.gz QGYBNFWIESYSBW-BPLDGKMQSA-N 1 0 346.391 -1.182 20 0 EAADRO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001077313305 685401833 /nfs/dbraw/zinc/40/18/33/685401833.db2.gz QGYBNFWIESYSBW-NWANDNLSSA-N 1 0 346.391 -1.182 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077315425 685404961 /nfs/dbraw/zinc/40/49/61/685404961.db2.gz PAOZXQCGHUJFGA-MPKXVKKWSA-N 1 0 336.392 -1.065 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077315427 685405042 /nfs/dbraw/zinc/40/50/42/685405042.db2.gz PAOZXQCGHUJFGA-ZKYQVNSYSA-N 1 0 336.392 -1.065 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001077315537 685404882 /nfs/dbraw/zinc/40/48/82/685404882.db2.gz QVDGVBJDUBMUSO-GGZOMVNGSA-N 1 0 336.348 -1.432 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001077315538 685405023 /nfs/dbraw/zinc/40/50/23/685405023.db2.gz QVDGVBJDUBMUSO-XXILOJSOSA-N 1 0 336.348 -1.432 20 0 EAADRO Cn1cncc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001077317476 685402563 /nfs/dbraw/zinc/40/25/63/685402563.db2.gz UDKCWFXMQHISIQ-DMDPSCGWSA-N 1 0 331.380 -1.026 20 0 EAADRO Cn1cncc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001077317477 685402683 /nfs/dbraw/zinc/40/26/83/685402683.db2.gz UDKCWFXMQHISIQ-NQBHXWOUSA-N 1 0 331.380 -1.026 20 0 EAADRO Cn1cncc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001077319870 685403012 /nfs/dbraw/zinc/40/30/12/685403012.db2.gz HKNYDMDPKLGEGP-OUCADQQQSA-N 1 0 334.380 -1.547 20 0 EAADRO Cn1cncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001077319871 685402977 /nfs/dbraw/zinc/40/29/77/685402977.db2.gz HKNYDMDPKLGEGP-YRGRVCCFSA-N 1 0 334.380 -1.547 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321631 685404233 /nfs/dbraw/zinc/40/42/33/685404233.db2.gz FJSOLXMXLLULEH-GMTAPVOTSA-N 1 0 326.353 -1.855 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321632 685404181 /nfs/dbraw/zinc/40/41/81/685404181.db2.gz FJSOLXMXLLULEH-HBNTYKKESA-N 1 0 326.353 -1.855 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1)OC ZINC001077321788 685404245 /nfs/dbraw/zinc/40/42/45/685404245.db2.gz NRHOKRJMGNGSJP-IJLUTSLNSA-N 1 0 340.380 -1.465 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1)OC ZINC001077321789 685404095 /nfs/dbraw/zinc/40/40/95/685404095.db2.gz NRHOKRJMGNGSJP-QJPTWQEYSA-N 1 0 340.380 -1.465 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077321817 685404027 /nfs/dbraw/zinc/40/40/27/685404027.db2.gz OQNYZIFEIKYJOB-VXGBXAGGSA-N 1 0 348.363 -1.993 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321987 685404366 /nfs/dbraw/zinc/40/43/66/685404366.db2.gz XGVSYQXPMKKOSB-GMTAPVOTSA-N 1 0 326.353 -1.855 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321988 685404151 /nfs/dbraw/zinc/40/41/51/685404151.db2.gz XGVSYQXPMKKOSB-HBNTYKKESA-N 1 0 326.353 -1.855 20 0 EAADRO C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077322021 685404397 /nfs/dbraw/zinc/40/43/97/685404397.db2.gz YUNKXELQHRNKEP-GMTAPVOTSA-N 1 0 328.344 -1.142 20 0 EAADRO C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077322022 685403944 /nfs/dbraw/zinc/40/39/44/685403944.db2.gz YUNKXELQHRNKEP-HBNTYKKESA-N 1 0 328.344 -1.142 20 0 EAADRO 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O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1ccc(-n2cncn2)nc1 ZINC001077478690 685463652 /nfs/dbraw/zinc/46/36/52/685463652.db2.gz NDOMZVPXNFDZIK-CHWSQXEVSA-N 1 0 332.364 -1.180 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001077478894 685463810 /nfs/dbraw/zinc/46/38/10/685463810.db2.gz RFMNQNKNIURBDO-CYZMBNFOSA-N 1 0 332.364 -1.182 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001077478895 685463890 /nfs/dbraw/zinc/46/38/90/685463890.db2.gz RFMNQNKNIURBDO-RAIGVLPGSA-N 1 0 332.364 -1.182 20 0 EAADRO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)nn1-c1nc[nH]n1 ZINC001077480404 685464613 /nfs/dbraw/zinc/46/46/13/685464613.db2.gz PHYZPWRHRUUGDX-GHMZBOCLSA-N 1 0 332.368 -1.121 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077481752 685465367 /nfs/dbraw/zinc/46/53/67/685465367.db2.gz DNYIEXQIISYUFQ-JHJVBQTASA-N 1 0 349.391 -1.308 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077481753 685464998 /nfs/dbraw/zinc/46/49/98/685464998.db2.gz DNYIEXQIISYUFQ-YNEHKIRRSA-N 1 0 349.391 -1.308 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077481992 685465224 /nfs/dbraw/zinc/46/52/24/685465224.db2.gz QWZOVGSGBQYEGW-VXGBXAGGSA-N 1 0 335.364 -1.960 20 0 EAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077482022 685465329 /nfs/dbraw/zinc/46/53/29/685465329.db2.gz SBEQQKAMRRNAGV-VXGBXAGGSA-N 1 0 335.364 -1.696 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077482175 685465382 /nfs/dbraw/zinc/46/53/82/685465382.db2.gz XBRDJBJBGKJILE-IJLUTSLNSA-N 1 0 335.364 -1.962 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077482178 685465181 /nfs/dbraw/zinc/46/51/81/685465181.db2.gz XBRDJBJBGKJILE-QJPTWQEYSA-N 1 0 335.364 -1.962 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077482215 685465025 /nfs/dbraw/zinc/46/50/25/685465025.db2.gz 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CCCc1cc(C(=O)N[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]2O)[nH]n1 ZINC001077486603 685557149 /nfs/dbraw/zinc/55/71/49/685557149.db2.gz HUMBNVFLRUSGBI-JHJVBQTASA-N 1 0 349.391 -1.058 20 0 EAADRO C[C@@H](CCNC(=O)c1cc(=O)n2[nH]cnc2n1)NC(=O)CC[NH+](C)C ZINC001077488176 685557041 /nfs/dbraw/zinc/55/70/41/685557041.db2.gz FDYPWSKDEYVPJA-JTQLQIEISA-N 1 0 349.395 -1.006 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H](C)NC(N)=O ZINC001077494147 685557458 /nfs/dbraw/zinc/55/74/58/685557458.db2.gz CDAYVTOXOJITAU-QWRGUYRKSA-N 1 0 331.417 -1.368 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C ZINC001077494168 685557517 /nfs/dbraw/zinc/55/75/17/685557517.db2.gz CUAQAYYIPVMOMS-LBPRGKRZSA-N 1 0 345.444 -1.105 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1COCCN1C ZINC001077494201 685557438 /nfs/dbraw/zinc/55/74/38/685557438.db2.gz DTDQBVRTPDQUTI-KBPBESRZSA-N 1 0 344.456 -1.094 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1COCCN1C ZINC001077494202 685557579 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C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001077495791 685558233 /nfs/dbraw/zinc/55/82/33/685558233.db2.gz RHPSGFWTBGMLPI-WDEREUQCSA-N 1 0 329.401 -1.743 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001077495807 685558175 /nfs/dbraw/zinc/55/81/75/685558175.db2.gz RYDUUWUATDANME-NWDGAFQWSA-N 1 0 343.428 -1.401 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001077495808 685558190 /nfs/dbraw/zinc/55/81/90/685558190.db2.gz RYDUUWUATDANME-RYUDHWBXSA-N 1 0 343.428 -1.401 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)Cn1ncnn1 ZINC001077495833 685558251 /nfs/dbraw/zinc/55/82/51/685558251.db2.gz SUZJYCGCIYDSDF-NSHDSACASA-N 1 0 327.389 -1.738 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)Cn1nccn1 ZINC001077495862 685558421 /nfs/dbraw/zinc/55/84/21/685558421.db2.gz UMQXKUNIEZRKIV-LBPRGKRZSA-N 1 0 326.401 -1.133 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001077495927 685558253 /nfs/dbraw/zinc/55/82/53/685558253.db2.gz WMHVUBUSFMORTO-TUAOUCFPSA-N 1 0 328.413 -1.303 20 0 EAADRO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)c1nnn(C)n1 ZINC001077495937 685558336 /nfs/dbraw/zinc/55/83/36/685558336.db2.gz XEDZFDJWXOIOJQ-JTQLQIEISA-N 1 0 327.389 -1.587 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1(n2cnnn2)CCCCC1 ZINC001077497265 685559059 /nfs/dbraw/zinc/55/90/59/685559059.db2.gz ILSMDJXXMCWTHU-CHWSQXEVSA-N 1 0 338.412 -1.124 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077497477 685558888 /nfs/dbraw/zinc/55/88/88/685558888.db2.gz ORQIEOVAAOAQTQ-VXGBXAGGSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001077497657 685558824 /nfs/dbraw/zinc/55/88/24/685558824.db2.gz SMBPKPCREORCPN-IJLUTSLNSA-N 1 0 335.368 -1.854 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001077497659 685559043 /nfs/dbraw/zinc/55/90/43/685559043.db2.gz SMBPKPCREORCPN-QJPTWQEYSA-N 1 0 335.368 -1.854 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)c1=O ZINC001077498795 685558807 /nfs/dbraw/zinc/55/88/07/685558807.db2.gz QOOCRAFXHLSOQN-VXGBXAGGSA-N 1 0 348.363 -1.843 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)c1=O ZINC001077498932 685558927 /nfs/dbraw/zinc/55/89/27/685558927.db2.gz UWTCLEDEBRBERH-MVWJERBFSA-N 1 0 338.364 -1.703 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)c1=O ZINC001077498933 685558996 /nfs/dbraw/zinc/55/89/96/685558996.db2.gz UWTCLEDEBRBERH-YUSALJHKSA-N 1 0 338.364 -1.703 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077499087 685559588 /nfs/dbraw/zinc/55/95/88/685559588.db2.gz BTTVBLGZDVEXGB-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077499088 685559412 /nfs/dbraw/zinc/55/94/12/685559412.db2.gz BTTVBLGZDVEXGB-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077502761 685560338 /nfs/dbraw/zinc/56/03/38/685560338.db2.gz HWQNWTFCHVGSBP-VXGBXAGGSA-N 1 0 335.368 -1.505 20 0 EAADRO CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ccn4nnnc4c3)C2)C1=O ZINC001077502768 685560500 /nfs/dbraw/zinc/56/05/00/685560500.db2.gz IKMWCAJLHJWEFI-GRYCIOLGSA-N 1 0 345.363 -1.870 20 0 EAADRO CN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ccn4nnnc4c3)C2)C1=O ZINC001077502769 685560514 /nfs/dbraw/zinc/56/05/14/685560514.db2.gz IKMWCAJLHJWEFI-IJLUTSLNSA-N 1 0 345.363 -1.870 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077502792 685560465 /nfs/dbraw/zinc/56/04/65/685560465.db2.gz JUMXABBDCMCHHC-MVWJERBFSA-N 1 0 339.396 -1.320 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077502793 685560166 /nfs/dbraw/zinc/56/01/66/685560166.db2.gz JUMXABBDCMCHHC-YUSALJHKSA-N 1 0 339.396 -1.320 20 0 EAADRO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077502857 685560174 /nfs/dbraw/zinc/56/01/74/685560174.db2.gz MXNPGFBRHYTRFQ-GMTAPVOTSA-N 1 0 333.352 -1.837 20 0 EAADRO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077502858 685560256 /nfs/dbraw/zinc/56/02/56/685560256.db2.gz MXNPGFBRHYTRFQ-OUAUKWLOSA-N 1 0 333.352 -1.837 20 0 EAADRO O=C(N[C@@H]1CN(CCn2cncn2)C[C@H]1O)c1ccn2nnnc2c1 ZINC001077502919 685560208 /nfs/dbraw/zinc/56/02/08/685560208.db2.gz PTXIIDDUDZNGKI-VXGBXAGGSA-N 1 0 343.351 -1.809 20 0 EAADRO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001077502927 685560563 /nfs/dbraw/zinc/56/05/63/685560563.db2.gz PZWBSMMMDFQKAD-GMTAPVOTSA-N 1 0 325.369 -1.533 20 0 EAADRO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001077502928 685560324 /nfs/dbraw/zinc/56/03/24/685560324.db2.gz PZWBSMMMDFQKAD-OUAUKWLOSA-N 1 0 325.369 -1.533 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001077502996 685560422 /nfs/dbraw/zinc/56/04/22/685560422.db2.gz SROPHUFJYAHPNJ-GRYCIOLGSA-N 1 0 337.380 -1.518 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001077502997 685560224 /nfs/dbraw/zinc/56/02/24/685560224.db2.gz SROPHUFJYAHPNJ-IJLUTSLNSA-N 1 0 337.380 -1.518 20 0 EAADRO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503730 685560154 /nfs/dbraw/zinc/56/01/54/685560154.db2.gz ATOCJFLAPYHEIC-VXGBXAGGSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC001077504022 685560719 /nfs/dbraw/zinc/56/07/19/685560719.db2.gz RISOSOKXZVRVPS-VXGBXAGGSA-N 1 0 337.428 -1.254 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001077506682 685561174 /nfs/dbraw/zinc/56/11/74/685561174.db2.gz HFTBEUFKXHLLIH-HUUCEWRRSA-N 1 0 332.404 -1.220 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001077506943 685561639 /nfs/dbraw/zinc/56/16/39/685561639.db2.gz PSDIRGPCRBFQMT-JHJVBQTASA-N 1 0 338.412 -1.125 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001077506944 685561726 /nfs/dbraw/zinc/56/17/26/685561726.db2.gz PSDIRGPCRBFQMT-YNEHKIRRSA-N 1 0 338.412 -1.125 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1=O ZINC001077507142 685561536 /nfs/dbraw/zinc/56/15/36/685561536.db2.gz XGANXPHTWPJUTA-JHJVBQTASA-N 1 0 334.376 -1.817 20 0 EAADRO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1=O ZINC001077507143 685561946 /nfs/dbraw/zinc/56/19/46/685561946.db2.gz XGANXPHTWPJUTA-YNEHKIRRSA-N 1 0 334.376 -1.817 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077507877 685562435 /nfs/dbraw/zinc/56/24/35/685562435.db2.gz ASRHHVRRLHIDKR-BFHYXJOUSA-N 1 0 340.424 -1.851 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077507878 685562478 /nfs/dbraw/zinc/56/24/78/685562478.db2.gz ASRHHVRRLHIDKR-MGPQQGTHSA-N 1 0 340.424 -1.851 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077507988 685562620 /nfs/dbraw/zinc/56/26/20/685562620.db2.gz GRGVWXDGUHAPGE-BFHYXJOUSA-N 1 0 340.424 -1.994 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077507989 685562564 /nfs/dbraw/zinc/56/25/64/685562564.db2.gz GRGVWXDGUHAPGE-MGPQQGTHSA-N 1 0 340.424 -1.994 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077507998 685562699 /nfs/dbraw/zinc/56/26/99/685562699.db2.gz HAXFPKRLBAASST-ZIAGYGMSSA-N 1 0 340.424 -1.851 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001077508097 685562637 /nfs/dbraw/zinc/56/26/37/685562637.db2.gz LJOVLYQGMNNMLZ-HZPDHXFCSA-N 1 0 346.431 -1.178 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077508166 685562498 /nfs/dbraw/zinc/56/24/98/685562498.db2.gz NVGWGHMBZIEVKB-JHJVBQTASA-N 1 0 326.397 -2.384 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077508167 685562770 /nfs/dbraw/zinc/56/27/70/685562770.db2.gz NVGWGHMBZIEVKB-YNEHKIRRSA-N 1 0 326.397 -2.384 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077508182 685562888 /nfs/dbraw/zinc/56/28/88/685562888.db2.gz OTAGHPJCHLLRMI-VXGBXAGGSA-N 1 0 346.378 -1.375 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077508228 685562517 /nfs/dbraw/zinc/56/25/17/685562517.db2.gz QJOKLDCPNLIMIU-ZIAGYGMSSA-N 1 0 340.424 -1.994 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077508238 685562827 /nfs/dbraw/zinc/56/28/27/685562827.db2.gz QYTFLVPOZUFIDG-BFHYXJOUSA-N 1 0 340.424 -1.851 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077508239 685562351 /nfs/dbraw/zinc/56/23/51/685562351.db2.gz QYTFLVPOZUFIDG-MGPQQGTHSA-N 1 0 340.424 -1.851 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077508246 685562710 /nfs/dbraw/zinc/56/27/10/685562710.db2.gz RFYNLLQZLRCPGO-CHWSQXEVSA-N 1 0 336.396 -2.524 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077508254 685562649 /nfs/dbraw/zinc/56/26/49/685562649.db2.gz ROUWHUGHSSDMBS-BFHYXJOUSA-N 1 0 340.424 -1.994 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077508255 685562878 /nfs/dbraw/zinc/56/28/78/685562878.db2.gz ROUWHUGHSSDMBS-MGPQQGTHSA-N 1 0 340.424 -1.994 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1)OC ZINC001077508355 685562249 /nfs/dbraw/zinc/56/22/49/685562249.db2.gz WZRSZENBGNVVLV-JHJVBQTASA-N 1 0 328.413 -1.996 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1)OC ZINC001077508356 685562406 /nfs/dbraw/zinc/56/24/06/685562406.db2.gz WZRSZENBGNVVLV-YNEHKIRRSA-N 1 0 328.413 -1.996 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001077508746 685563605 /nfs/dbraw/zinc/56/36/05/685563605.db2.gz OLDCEUKHVGISEQ-NSHDSACASA-N 1 0 346.453 -1.358 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)NC1=O ZINC001077509928 685563254 /nfs/dbraw/zinc/56/32/54/685563254.db2.gz 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O=C(N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013177 685676072 /nfs/dbraw/zinc/67/60/72/685676072.db2.gz VUXFLBNEDFQWBT-IJLUTSLNSA-N 1 0 336.392 -1.951 20 0 EAADRO C[C@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013200 685676044 /nfs/dbraw/zinc/67/60/44/685676044.db2.gz WVIPYOSXPRDFHV-IJLUTSLNSA-N 1 0 335.412 -1.472 20 0 EAADRO C[C@@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013201 685676756 /nfs/dbraw/zinc/67/67/56/685676756.db2.gz WVIPYOSXPRDFHV-QJPTWQEYSA-N 1 0 335.412 -1.472 20 0 EAADRO CN1CCC[C@H](N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078013289 685676562 /nfs/dbraw/zinc/67/65/62/685676562.db2.gz ZVGLQLIQWCDVOT-HZSPNIEDSA-N 1 0 336.436 -1.136 20 0 EAADRO CN1CCC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078013290 685676237 /nfs/dbraw/zinc/67/62/37/685676237.db2.gz ZVGLQLIQWCDVOT-MGPQQGTHSA-N 1 0 336.436 -1.136 20 0 EAADRO 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QLUNRPNEPPHCCO-ZEGGKSINSA-N 1 0 333.344 -1.274 20 0 EAADRO CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 ZINC001078034465 685680807 /nfs/dbraw/zinc/68/08/07/685680807.db2.gz GHHZHNFASIKUGM-BFHYXJOUSA-N 1 0 335.408 -1.115 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078035523 685680856 /nfs/dbraw/zinc/68/08/56/685680856.db2.gz DKDCYYJSDLJUAU-YNEHKIRRSA-N 1 0 338.408 -1.561 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001078036825 685681606 /nfs/dbraw/zinc/68/16/06/685681606.db2.gz QHGHAVHCCSQUMU-ZIAGYGMSSA-N 1 0 346.391 -1.390 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001078036874 685682084 /nfs/dbraw/zinc/68/20/84/685682084.db2.gz SVGAXIGHWXRQKF-BFHYXJOUSA-N 1 0 336.392 -1.250 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001078036875 685681712 /nfs/dbraw/zinc/68/17/12/685681712.db2.gz SVGAXIGHWXRQKF-MGPQQGTHSA-N 1 0 336.392 -1.250 20 0 EAADRO C[C@@H](CCNC(=O)C(=O)NCC1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001078057010 685682917 /nfs/dbraw/zinc/68/29/17/685682917.db2.gz YLSNEPHVNSNJKS-AAEUAGOBSA-N 1 0 340.424 -1.146 20 0 EAADRO C[C@@H](CCNC(=O)C(=O)NCC1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001078057011 685682712 /nfs/dbraw/zinc/68/27/12/685682712.db2.gz YLSNEPHVNSNJKS-WCQYABFASA-N 1 0 340.424 -1.146 20 0 EAADRO C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)NC(=O)CC(N)=O ZINC001078062092 685682974 /nfs/dbraw/zinc/68/29/74/685682974.db2.gz RCIMIDHQRRCLGB-NSHDSACASA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)NC(=O)CNC(N)=O ZINC001078062344 685682987 /nfs/dbraw/zinc/68/29/87/685682987.db2.gz YHYHXQZGTUFHFU-NSHDSACASA-N 1 0 343.428 -1.224 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001078073597 685683368 /nfs/dbraw/zinc/68/33/68/685683368.db2.gz MRFFNLJYHHMQBY-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](CCNC(=O)c1c[nH]c(=O)cn1)NC(=O)COCC[NH+](C)C ZINC001078077136 685684247 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ZINC001078159086 685702812 /nfs/dbraw/zinc/70/28/12/685702812.db2.gz GVSGYPBMOMTYQH-HUUCEWRRSA-N 1 0 345.403 -1.014 20 0 EAADRO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)cn1 ZINC001078159163 685702929 /nfs/dbraw/zinc/70/29/29/685702929.db2.gz LBCAXCGYZNQELC-HUUCEWRRSA-N 1 0 345.403 -1.014 20 0 EAADRO O=C(Cn1ccccc1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001078159504 685702581 /nfs/dbraw/zinc/70/25/81/685702581.db2.gz RNMDAKSKWZJDMH-ZIAGYGMSSA-N 1 0 331.376 -1.094 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1cccc(-n2cnnn2)c1 ZINC001078161048 685704058 /nfs/dbraw/zinc/70/40/58/685704058.db2.gz BLFNJYPCFOJQAW-ZIAGYGMSSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001078162289 685703752 /nfs/dbraw/zinc/70/37/52/685703752.db2.gz IFCKKKRURPCBHP-IACUBPJLSA-N 1 0 325.409 -1.069 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001078162290 685703700 /nfs/dbraw/zinc/70/37/00/685703700.db2.gz IFCKKKRURPCBHP-MRVWCRGKSA-N 1 0 325.409 -1.069 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001078162576 685703838 /nfs/dbraw/zinc/70/38/38/685703838.db2.gz WOWSDISDIJXHMT-LERXQTSPSA-N 1 0 332.364 -1.182 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001078162577 685703681 /nfs/dbraw/zinc/70/36/81/685703681.db2.gz WOWSDISDIJXHMT-ZLKJLUDKSA-N 1 0 332.364 -1.182 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 ZINC001078163370 685703880 /nfs/dbraw/zinc/70/38/80/685703880.db2.gz KEDZMSXNSFVNOQ-MPKXVKKWSA-N 1 0 332.364 -1.182 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 ZINC001078163371 685703395 /nfs/dbraw/zinc/70/33/95/685703395.db2.gz KEDZMSXNSFVNOQ-ZKYQVNSYSA-N 1 0 332.364 -1.182 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1ccccc1-n1cnnn1 ZINC001078163474 685703765 /nfs/dbraw/zinc/70/37/65/685703765.db2.gz OYDDEVCSQMNKOS-TZMCWYRMSA-N 1 0 332.364 -1.180 20 0 EAADRO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001078164975 685701475 /nfs/dbraw/zinc/70/14/75/685701475.db2.gz KHKIQIUTIOZCEM-FRRDWIJNSA-N 1 0 332.364 -1.003 20 0 EAADRO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001078164976 685701452 /nfs/dbraw/zinc/70/14/52/685701452.db2.gz KHKIQIUTIOZCEM-JHJVBQTASA-N 1 0 332.364 -1.003 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)c(=O)[nH]c1=O ZINC001078167928 685704557 /nfs/dbraw/zinc/70/45/57/685704557.db2.gz WWKLGOCZHJEXTB-VXGBXAGGSA-N 1 0 348.363 -1.843 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078169890 685705294 /nfs/dbraw/zinc/70/52/94/685705294.db2.gz LDVGOYHEUSGHGH-FBIMIBRVSA-N 1 0 326.353 -1.704 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078169891 685706054 /nfs/dbraw/zinc/70/60/54/685706054.db2.gz LDVGOYHEUSGHGH-JMJZKYOTSA-N 1 0 326.353 -1.704 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)c(=O)[nH]c1=O ZINC001078169924 685705981 /nfs/dbraw/zinc/70/59/81/685705981.db2.gz MLYKMUDLIDMRFT-MVWJERBFSA-N 1 0 338.364 -1.703 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)c(=O)[nH]c1=O ZINC001078169925 685705987 /nfs/dbraw/zinc/70/59/87/685705987.db2.gz MLYKMUDLIDMRFT-YUSALJHKSA-N 1 0 338.364 -1.703 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1)OC ZINC001078170087 685705631 /nfs/dbraw/zinc/70/56/31/685705631.db2.gz VOMAYQWCTMNENO-MVWJERBFSA-N 1 0 340.380 -1.314 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1)OC ZINC001078170088 685706067 /nfs/dbraw/zinc/70/60/67/685706067.db2.gz VOMAYQWCTMNENO-YUSALJHKSA-N 1 0 340.380 -1.314 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078170165 685706077 /nfs/dbraw/zinc/70/60/77/685706077.db2.gz YUMCWLMMYCVPFV-FBIMIBRVSA-N 1 0 326.353 -1.704 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078170166 685705455 /nfs/dbraw/zinc/70/54/55/685705455.db2.gz YUMCWLMMYCVPFV-JMJZKYOTSA-N 1 0 326.353 -1.704 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001078172005 685705881 /nfs/dbraw/zinc/70/58/81/685705881.db2.gz ICACOQBIIVCXNF-IJLUTSLNSA-N 1 0 334.380 -1.137 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001078172006 685706084 /nfs/dbraw/zinc/70/60/84/685706084.db2.gz ICACOQBIIVCXNF-QJPTWQEYSA-N 1 0 334.380 -1.137 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078173451 685706612 /nfs/dbraw/zinc/70/66/12/685706612.db2.gz ZAUWDHFMQQASII-JHJVBQTASA-N 1 0 346.391 -1.135 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078173452 685706816 /nfs/dbraw/zinc/70/68/16/685706816.db2.gz ZAUWDHFMQQASII-YNEHKIRRSA-N 1 0 346.391 -1.135 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001078174118 685706585 /nfs/dbraw/zinc/70/65/85/685706585.db2.gz BQNLLWQMOZUXDL-IJLUTSLNSA-N 1 0 334.380 -1.137 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001078174119 685706934 /nfs/dbraw/zinc/70/69/34/685706934.db2.gz BQNLLWQMOZUXDL-QJPTWQEYSA-N 1 0 334.380 -1.137 20 0 EAADRO COCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001078174390 685706979 /nfs/dbraw/zinc/70/69/79/685706979.db2.gz JVKRWLWKHZVNMT-IJLUTSLNSA-N 1 0 339.396 -1.171 20 0 EAADRO COCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001078174391 685707100 /nfs/dbraw/zinc/70/71/00/685707100.db2.gz JVKRWLWKHZVNMT-QJPTWQEYSA-N 1 0 339.396 -1.171 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174412 685707053 /nfs/dbraw/zinc/70/70/53/685707053.db2.gz KQAPNULSIOATKL-JHJVBQTASA-N 1 0 325.413 -1.875 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174413 685706989 /nfs/dbraw/zinc/70/69/89/685706989.db2.gz KQAPNULSIOATKL-YNEHKIRRSA-N 1 0 325.413 -1.875 20 0 EAADRO CCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174589 685707120 /nfs/dbraw/zinc/70/71/20/685707120.db2.gz PVPWIYCSEDTSHA-JHJVBQTASA-N 1 0 337.428 -1.304 20 0 EAADRO CCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174590 685706959 /nfs/dbraw/zinc/70/69/59/685706959.db2.gz PVPWIYCSEDTSHA-YNEHKIRRSA-N 1 0 337.428 -1.304 20 0 EAADRO CN(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001078174636 685707217 /nfs/dbraw/zinc/70/72/17/685707217.db2.gz QTEHYEGFRMMSKI-IJLUTSLNSA-N 1 0 338.412 -1.251 20 0 EAADRO CN(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001078174637 685706737 /nfs/dbraw/zinc/70/67/37/685706737.db2.gz QTEHYEGFRMMSKI-QJPTWQEYSA-N 1 0 338.412 -1.251 20 0 EAADRO CC(C)n1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174752 685707070 /nfs/dbraw/zinc/70/70/70/685707070.db2.gz 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/nfs/dbraw/zinc/71/97/45/685719745.db2.gz JDXXFUVSTZYPMV-BFHYXJOUSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001078272138 685719919 /nfs/dbraw/zinc/71/99/19/685719919.db2.gz JDXXFUVSTZYPMV-MGPQQGTHSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001078272238 685720194 /nfs/dbraw/zinc/72/01/94/685720194.db2.gz ODBOPWKUXLUYQM-JHJVBQTASA-N 1 0 331.380 -1.177 20 0 EAADRO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001078272239 685720167 /nfs/dbraw/zinc/72/01/67/685720167.db2.gz ODBOPWKUXLUYQM-YNEHKIRRSA-N 1 0 331.380 -1.177 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001078272269 685720272 /nfs/dbraw/zinc/72/02/72/685720272.db2.gz PIHBVMNXUBSAHJ-CYZMBNFOSA-N 1 0 332.364 -1.182 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001078272270 685720137 /nfs/dbraw/zinc/72/01/37/685720137.db2.gz 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O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001078289349 685724030 /nfs/dbraw/zinc/72/40/30/685724030.db2.gz NFYOSUPQOWLXLH-CYZMBNFOSA-N 1 0 339.392 -1.230 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001078289350 685723816 /nfs/dbraw/zinc/72/38/16/685723816.db2.gz NFYOSUPQOWLXLH-RAIGVLPGSA-N 1 0 339.392 -1.230 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001078289389 685723900 /nfs/dbraw/zinc/72/39/00/685723900.db2.gz OCNMTYSZBVIVBF-CYZMBNFOSA-N 1 0 349.391 -1.823 20 0 EAADRO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001078289390 685724537 /nfs/dbraw/zinc/72/45/37/685724537.db2.gz OCNMTYSZBVIVBF-RAIGVLPGSA-N 1 0 349.391 -1.823 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001078289539 685724258 /nfs/dbraw/zinc/72/42/58/685724258.db2.gz UVJJXMUTYCLHGF-IJLUTSLNSA-N 1 0 335.364 -1.903 20 0 EAADRO 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ZINC001078331098 685726514 /nfs/dbraw/zinc/72/65/14/685726514.db2.gz PIXSGXQILORQNG-VXGBXAGGSA-N 1 0 337.384 -1.841 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001078331270 685726672 /nfs/dbraw/zinc/72/66/72/685726672.db2.gz SRWVNIDBTDEEID-CYBMUJFWSA-N 1 0 349.399 -1.308 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001078331272 685726572 /nfs/dbraw/zinc/72/65/72/685726572.db2.gz SRWVNIDBTDEEID-ZDUSSCGKSA-N 1 0 349.399 -1.308 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001078331429 685726973 /nfs/dbraw/zinc/72/69/73/685726973.db2.gz UWILUNGXOUVIHC-GFCCVEGCSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001078331430 685726717 /nfs/dbraw/zinc/72/67/17/685726717.db2.gz UWILUNGXOUVIHC-LBPRGKRZSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001078331433 685726769 /nfs/dbraw/zinc/72/67/69/685726769.db2.gz UXGHUVKWLHERJV-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001078331434 685726778 /nfs/dbraw/zinc/72/67/78/685726778.db2.gz UXGHUVKWLHERJV-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCCO2)n1 ZINC001078331524 685726606 /nfs/dbraw/zinc/72/66/06/685726606.db2.gz VILGYEVXLSWTPN-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCCO2)n1 ZINC001078331525 685726951 /nfs/dbraw/zinc/72/69/51/685726951.db2.gz VILGYEVXLSWTPN-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO O=C(CN1CCCC1=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078331538 685726402 /nfs/dbraw/zinc/72/64/02/685726402.db2.gz VMFASQUTEJHAKS-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCCC1=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078331539 685726466 /nfs/dbraw/zinc/72/64/66/685726466.db2.gz VMFASQUTEJHAKS-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCCC1=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078331540 685726870 /nfs/dbraw/zinc/72/68/70/685726870.db2.gz VMFASQUTEJHAKS-QWHCGFSZSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CN1CCCC1=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078331541 685726340 /nfs/dbraw/zinc/72/63/40/685726340.db2.gz VMFASQUTEJHAKS-STQMWFEESA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(Cn1cccn1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078336346 685727899 /nfs/dbraw/zinc/72/78/99/685727899.db2.gz QXQYWFLSVPUXGE-CHWSQXEVSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(Cn1cccn1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078336347 685727539 /nfs/dbraw/zinc/72/75/39/685727539.db2.gz QXQYWFLSVPUXGE-OLZOCXBDSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(Cn1cccn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078336348 685727914 /nfs/dbraw/zinc/72/79/14/685727914.db2.gz QXQYWFLSVPUXGE-QWHCGFSZSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(Cn1cccn1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078336349 685727640 /nfs/dbraw/zinc/72/76/40/685727640.db2.gz QXQYWFLSVPUXGE-STQMWFEESA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(CCn1cncn1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078337781 685727714 /nfs/dbraw/zinc/72/77/14/685727714.db2.gz PHGVTJYVNOHJEZ-CHWSQXEVSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(CCn1cncn1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078337782 685727992 /nfs/dbraw/zinc/72/79/92/685727992.db2.gz PHGVTJYVNOHJEZ-OLZOCXBDSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(CCn1cncn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078337783 685727882 /nfs/dbraw/zinc/72/78/82/685727882.db2.gz PHGVTJYVNOHJEZ-QWHCGFSZSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(CCn1cncn1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078337784 685727446 /nfs/dbraw/zinc/72/74/46/685727446.db2.gz PHGVTJYVNOHJEZ-STQMWFEESA-N 1 0 336.396 -1.236 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COCCO2)CCCO1 ZINC001078344083 685727797 /nfs/dbraw/zinc/72/77/97/685727797.db2.gz IBZKNQQHWFMHNF-KBPBESRZSA-N 1 0 339.396 -1.062 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCCO1 ZINC001078344084 685727952 /nfs/dbraw/zinc/72/79/52/685727952.db2.gz IBZKNQQHWFMHNF-KGLIPLIRSA-N 1 0 339.396 -1.062 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2COCCO2)CCCO1 ZINC001078344085 685727843 /nfs/dbraw/zinc/72/78/43/685727843.db2.gz IBZKNQQHWFMHNF-UONOGXRCSA-N 1 0 339.396 -1.062 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCO2)CCCO1 ZINC001078344086 685727431 /nfs/dbraw/zinc/72/74/31/685727431.db2.gz IBZKNQQHWFMHNF-ZIAGYGMSSA-N 1 0 339.396 -1.062 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078348921 685729768 /nfs/dbraw/zinc/72/97/68/685729768.db2.gz AHGLBKWKBGUQAT-GHMZBOCLSA-N 1 0 333.410 -1.873 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078348922 685729611 /nfs/dbraw/zinc/72/96/11/685729611.db2.gz AHGLBKWKBGUQAT-MNOVXSKESA-N 1 0 333.410 -1.873 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078348923 685729432 /nfs/dbraw/zinc/72/94/32/685729432.db2.gz AHGLBKWKBGUQAT-QWRGUYRKSA-N 1 0 333.410 -1.873 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078348924 685729161 /nfs/dbraw/zinc/72/91/61/685729161.db2.gz AHGLBKWKBGUQAT-WDEREUQCSA-N 1 0 333.410 -1.873 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCCO2)C1=O ZINC001078349239 685729574 /nfs/dbraw/zinc/72/95/74/685729574.db2.gz GYOSJLFHSYVELO-NEPJUHHUSA-N 1 0 347.437 -1.531 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCCO2)C1=O ZINC001078349240 685729458 /nfs/dbraw/zinc/72/94/58/685729458.db2.gz GYOSJLFHSYVELO-NWDGAFQWSA-N 1 0 347.437 -1.531 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCCO2)C1=O ZINC001078349241 685729782 /nfs/dbraw/zinc/72/97/82/685729782.db2.gz GYOSJLFHSYVELO-RYUDHWBXSA-N 1 0 347.437 -1.531 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCCO2)C1=O ZINC001078349242 685729754 /nfs/dbraw/zinc/72/97/54/685729754.db2.gz GYOSJLFHSYVELO-VXGBXAGGSA-N 1 0 347.437 -1.531 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078349767 685729977 /nfs/dbraw/zinc/72/99/77/685729977.db2.gz SMXOSCIEWAQWKQ-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078349768 685730539 /nfs/dbraw/zinc/73/05/39/685730539.db2.gz SMXOSCIEWAQWKQ-NWDGAFQWSA-N 1 0 347.437 -1.483 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078349769 685730470 /nfs/dbraw/zinc/73/04/70/685730470.db2.gz SMXOSCIEWAQWKQ-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078349770 685730516 /nfs/dbraw/zinc/73/05/16/685730516.db2.gz SMXOSCIEWAQWKQ-VXGBXAGGSA-N 1 0 347.437 -1.483 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 ZINC001078349951 685730394 /nfs/dbraw/zinc/73/03/94/685730394.db2.gz WHQSIRCGKYBNKX-GFCCVEGCSA-N 1 0 345.425 -1.433 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 ZINC001078349952 685730488 /nfs/dbraw/zinc/73/04/88/685730488.db2.gz WHQSIRCGKYBNKX-LBPRGKRZSA-N 1 0 345.425 -1.433 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001078356674 685728438 /nfs/dbraw/zinc/72/84/38/685728438.db2.gz PLPFIPXVVFVWBV-CHWSQXEVSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001078356675 685728732 /nfs/dbraw/zinc/72/87/32/685728732.db2.gz PLPFIPXVVFVWBV-QWHCGFSZSA-N 1 0 336.396 -1.199 20 0 EAADRO Nc1nccnc1C(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078360509 685728623 /nfs/dbraw/zinc/72/86/23/685728623.db2.gz WEDCRRIAEQEHNT-GHMZBOCLSA-N 1 0 334.380 -1.232 20 0 EAADRO Nc1nccnc1C(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078360510 685728698 /nfs/dbraw/zinc/72/86/98/685728698.db2.gz WEDCRRIAEQEHNT-MNOVXSKESA-N 1 0 334.380 -1.232 20 0 EAADRO Nc1nccnc1C(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078360511 685728631 /nfs/dbraw/zinc/72/86/31/685728631.db2.gz WEDCRRIAEQEHNT-QWRGUYRKSA-N 1 0 334.380 -1.232 20 0 EAADRO Nc1nccnc1C(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078360512 685728740 /nfs/dbraw/zinc/72/87/40/685728740.db2.gz WEDCRRIAEQEHNT-WDEREUQCSA-N 1 0 334.380 -1.232 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078361442 685728581 /nfs/dbraw/zinc/72/85/81/685728581.db2.gz FARVAMXGSPKEMN-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078361443 685728523 /nfs/dbraw/zinc/72/85/23/685728523.db2.gz FARVAMXGSPKEMN-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078361444 685728572 /nfs/dbraw/zinc/72/85/72/685728572.db2.gz FARVAMXGSPKEMN-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078361445 685728704 /nfs/dbraw/zinc/72/87/04/685728704.db2.gz FARVAMXGSPKEMN-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001078361496 685728709 /nfs/dbraw/zinc/72/87/09/685728709.db2.gz GYANFXZXQLBSDW-CHWSQXEVSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001078361497 685728564 /nfs/dbraw/zinc/72/85/64/685728564.db2.gz GYANFXZXQLBSDW-OLZOCXBDSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001078361498 685728318 /nfs/dbraw/zinc/72/83/18/685728318.db2.gz GYANFXZXQLBSDW-QWHCGFSZSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001078361499 685728697 /nfs/dbraw/zinc/72/86/97/685728697.db2.gz GYANFXZXQLBSDW-STQMWFEESA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001078361636 685728702 /nfs/dbraw/zinc/72/87/02/685728702.db2.gz KCCFQRPQVMGJBO-NEPJUHHUSA-N 1 0 336.396 -1.152 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001078361637 685728285 /nfs/dbraw/zinc/72/82/85/685728285.db2.gz KCCFQRPQVMGJBO-NWDGAFQWSA-N 1 0 336.396 -1.152 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001078361638 685728491 /nfs/dbraw/zinc/72/84/91/685728491.db2.gz KCCFQRPQVMGJBO-RYUDHWBXSA-N 1 0 336.396 -1.152 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001078361639 685728638 /nfs/dbraw/zinc/72/86/38/685728638.db2.gz KCCFQRPQVMGJBO-VXGBXAGGSA-N 1 0 336.396 -1.152 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001078361698 685728245 /nfs/dbraw/zinc/72/82/45/685728245.db2.gz LNWSZABRGAJYTB-NEPJUHHUSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001078361699 685728688 /nfs/dbraw/zinc/72/86/88/685728688.db2.gz LNWSZABRGAJYTB-NWDGAFQWSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001078361700 685728729 /nfs/dbraw/zinc/72/87/29/685728729.db2.gz LNWSZABRGAJYTB-RYUDHWBXSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001078361701 685728457 /nfs/dbraw/zinc/72/84/57/685728457.db2.gz LNWSZABRGAJYTB-VXGBXAGGSA-N 1 0 347.437 -1.496 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362120 685728495 /nfs/dbraw/zinc/72/84/95/685728495.db2.gz QVIPOPHWUUTZNV-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362121 685728711 /nfs/dbraw/zinc/72/87/11/685728711.db2.gz QVIPOPHWUUTZNV-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362122 685729090 /nfs/dbraw/zinc/72/90/90/685729090.db2.gz QVIPOPHWUUTZNV-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362123 685729625 /nfs/dbraw/zinc/72/96/25/685729625.db2.gz QVIPOPHWUUTZNV-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078362704 685729631 /nfs/dbraw/zinc/72/96/31/685729631.db2.gz YEDJOOWISZELHZ-NXEZZACHSA-N 1 0 326.353 -2.126 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078362705 685729304 /nfs/dbraw/zinc/72/93/04/685729304.db2.gz YEDJOOWISZELHZ-UWVGGRQHSA-N 1 0 326.353 -2.126 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078362706 685729617 /nfs/dbraw/zinc/72/96/17/685729617.db2.gz YEDJOOWISZELHZ-VHSXEESVSA-N 1 0 326.353 -2.126 20 0 EAADRO NC(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078362707 685729145 /nfs/dbraw/zinc/72/91/45/685729145.db2.gz YEDJOOWISZELHZ-ZJUUUORDSA-N 1 0 326.353 -2.126 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)cc1=O ZINC001078363918 685729057 /nfs/dbraw/zinc/72/90/57/685729057.db2.gz PUVPVZZDFDFVQU-CYBMUJFWSA-N 1 0 336.392 -1.032 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)cc1=O ZINC001078363919 685729502 /nfs/dbraw/zinc/72/95/02/685729502.db2.gz PUVPVZZDFDFVQU-ZDUSSCGKSA-N 1 0 336.392 -1.032 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078365877 685729184 /nfs/dbraw/zinc/72/91/84/685729184.db2.gz NFOPISCBNWHCOH-CHWSQXEVSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078365878 685729441 /nfs/dbraw/zinc/72/94/41/685729441.db2.gz NFOPISCBNWHCOH-OLZOCXBDSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078365879 685729205 /nfs/dbraw/zinc/72/92/05/685729205.db2.gz NFOPISCBNWHCOH-QWHCGFSZSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078365880 685729738 /nfs/dbraw/zinc/72/97/38/685729738.db2.gz NFOPISCBNWHCOH-STQMWFEESA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1c(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)nnn1C ZINC001078366077 685729722 /nfs/dbraw/zinc/72/97/22/685729722.db2.gz SHOBEDWFVSZMOE-NEPJUHHUSA-N 1 0 336.396 -1.167 20 0 EAADRO Cc1c(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)nnn1C ZINC001078366078 685729293 /nfs/dbraw/zinc/72/92/93/685729293.db2.gz SHOBEDWFVSZMOE-NWDGAFQWSA-N 1 0 336.396 -1.167 20 0 EAADRO Cc1c(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)nnn1C ZINC001078366079 685729711 /nfs/dbraw/zinc/72/97/11/685729711.db2.gz SHOBEDWFVSZMOE-RYUDHWBXSA-N 1 0 336.396 -1.167 20 0 EAADRO Cc1c(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)nnn1C ZINC001078366080 685729586 /nfs/dbraw/zinc/72/95/86/685729586.db2.gz SHOBEDWFVSZMOE-VXGBXAGGSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078373706 685729678 /nfs/dbraw/zinc/72/96/78/685729678.db2.gz HKKNWGBPPDLTMA-NEPJUHHUSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078373707 685729222 /nfs/dbraw/zinc/72/92/22/685729222.db2.gz HKKNWGBPPDLTMA-NWDGAFQWSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078373708 685729336 /nfs/dbraw/zinc/72/93/36/685729336.db2.gz HKKNWGBPPDLTMA-RYUDHWBXSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078373709 685729402 /nfs/dbraw/zinc/72/94/02/685729402.db2.gz HKKNWGBPPDLTMA-VXGBXAGGSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CN1CCOCC1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078377170 685732044 /nfs/dbraw/zinc/73/20/44/685732044.db2.gz NULSFRSQVUSTAM-KBPBESRZSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(CN1CCOCC1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078377171 685732238 /nfs/dbraw/zinc/73/22/38/685732238.db2.gz NULSFRSQVUSTAM-KGLIPLIRSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(CN1CCOCC1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078377172 685731847 /nfs/dbraw/zinc/73/18/47/685731847.db2.gz NULSFRSQVUSTAM-UONOGXRCSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(CN1CCOCC1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078377173 685732242 /nfs/dbraw/zinc/73/22/42/685732242.db2.gz NULSFRSQVUSTAM-ZIAGYGMSSA-N 1 0 340.424 -1.586 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078383913 685730361 /nfs/dbraw/zinc/73/03/61/685730361.db2.gz IGHZEMXNTSIDQQ-GHMZBOCLSA-N 1 0 338.368 -1.921 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078383914 685730533 /nfs/dbraw/zinc/73/05/33/685730533.db2.gz IGHZEMXNTSIDQQ-MNOVXSKESA-N 1 0 338.368 -1.921 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078383915 685730377 /nfs/dbraw/zinc/73/03/77/685730377.db2.gz IGHZEMXNTSIDQQ-QWRGUYRKSA-N 1 0 338.368 -1.921 20 0 EAADRO O=C(CN1CN=NC1=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078383916 685730482 /nfs/dbraw/zinc/73/04/82/685730482.db2.gz IGHZEMXNTSIDQQ-WDEREUQCSA-N 1 0 338.368 -1.921 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1N ZINC001078385408 685730306 /nfs/dbraw/zinc/73/03/06/685730306.db2.gz FQMBZUBRNOPLGQ-CMPLNLGQSA-N 1 0 336.396 -1.289 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1N ZINC001078385409 685730583 /nfs/dbraw/zinc/73/05/83/685730583.db2.gz FQMBZUBRNOPLGQ-JQWIXIFHSA-N 1 0 336.396 -1.289 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1N ZINC001078385410 685730562 /nfs/dbraw/zinc/73/05/62/685730562.db2.gz FQMBZUBRNOPLGQ-PWSUYJOCSA-N 1 0 336.396 -1.289 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1N ZINC001078385411 685730104 /nfs/dbraw/zinc/73/01/04/685730104.db2.gz FQMBZUBRNOPLGQ-ZYHUDNBSSA-N 1 0 336.396 -1.289 20 0 EAADRO O=C(CCn1ccnn1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078387920 685730140 /nfs/dbraw/zinc/73/01/40/685730140.db2.gz PRHGUBQHRYGJHS-CHWSQXEVSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(CCn1ccnn1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078387921 685730521 /nfs/dbraw/zinc/73/05/21/685730521.db2.gz PRHGUBQHRYGJHS-OLZOCXBDSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(CCn1ccnn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078387922 685730014 /nfs/dbraw/zinc/73/00/14/685730014.db2.gz PRHGUBQHRYGJHS-QWHCGFSZSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(CCn1ccnn1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078387923 685730438 /nfs/dbraw/zinc/73/04/38/685730438.db2.gz PRHGUBQHRYGJHS-STQMWFEESA-N 1 0 336.396 -1.236 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001078389045 685730493 /nfs/dbraw/zinc/73/04/93/685730493.db2.gz CLYHBQDSNGHSEE-KBPBESRZSA-N 1 0 338.408 -1.440 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001078389046 685730551 /nfs/dbraw/zinc/73/05/51/685730551.db2.gz CLYHBQDSNGHSEE-KGLIPLIRSA-N 1 0 338.408 -1.440 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001078389047 685730544 /nfs/dbraw/zinc/73/05/44/685730544.db2.gz CLYHBQDSNGHSEE-UONOGXRCSA-N 1 0 338.408 -1.440 20 0 EAADRO CC(=O)N1CC(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001078389048 685730048 /nfs/dbraw/zinc/73/00/48/685730048.db2.gz CLYHBQDSNGHSEE-ZIAGYGMSSA-N 1 0 338.408 -1.440 20 0 EAADRO Cn1oc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cc1=O ZINC001078389655 685731281 /nfs/dbraw/zinc/73/12/81/685731281.db2.gz RSBWEFTUVYWTAW-GHMZBOCLSA-N 1 0 338.364 -1.313 20 0 EAADRO Cn1oc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cc1=O ZINC001078389656 685731346 /nfs/dbraw/zinc/73/13/46/685731346.db2.gz RSBWEFTUVYWTAW-MNOVXSKESA-N 1 0 338.364 -1.313 20 0 EAADRO Cn1oc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cc1=O ZINC001078389657 685731098 /nfs/dbraw/zinc/73/10/98/685731098.db2.gz RSBWEFTUVYWTAW-QWRGUYRKSA-N 1 0 338.364 -1.313 20 0 EAADRO Cn1oc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cc1=O ZINC001078389658 685731069 /nfs/dbraw/zinc/73/10/69/685731069.db2.gz RSBWEFTUVYWTAW-WDEREUQCSA-N 1 0 338.364 -1.313 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3cnnn3C)CCCO2)C1=O ZINC001078390629 685731022 /nfs/dbraw/zinc/73/10/22/685731022.db2.gz BPVKFPMQCYHXCS-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3cnnn3C)CCCO2)C1=O ZINC001078390630 685730913 /nfs/dbraw/zinc/73/09/13/685730913.db2.gz BPVKFPMQCYHXCS-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3cnnn3C)CCCO2)C1=O ZINC001078390631 685731267 /nfs/dbraw/zinc/73/12/67/685731267.db2.gz BPVKFPMQCYHXCS-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3cnnn3C)CCCO2)C1=O ZINC001078390632 685731299 /nfs/dbraw/zinc/73/12/99/685731299.db2.gz BPVKFPMQCYHXCS-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC001078390899 685731311 /nfs/dbraw/zinc/73/13/11/685731311.db2.gz IGMCRHNUUCWUQE-NEPJUHHUSA-N 1 0 338.368 -1.369 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCCO1 ZINC001078390900 685730925 /nfs/dbraw/zinc/73/09/25/685730925.db2.gz IGMCRHNUUCWUQE-NWDGAFQWSA-N 1 0 338.368 -1.369 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC001078390901 685731335 /nfs/dbraw/zinc/73/13/35/685731335.db2.gz IGMCRHNUUCWUQE-RYUDHWBXSA-N 1 0 338.368 -1.369 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCCO1 ZINC001078390902 685731198 /nfs/dbraw/zinc/73/11/98/685731198.db2.gz IGMCRHNUUCWUQE-VXGBXAGGSA-N 1 0 338.368 -1.369 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)CCCO1 ZINC001078390903 685731258 /nfs/dbraw/zinc/73/12/58/685731258.db2.gz IHFKKEYCJUCLFV-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2cnnn2C)CCCO1 ZINC001078390904 685731212 /nfs/dbraw/zinc/73/12/12/685731212.db2.gz IHFKKEYCJUCLFV-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1nncc1C(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078391480 685731059 /nfs/dbraw/zinc/73/10/59/685731059.db2.gz OWQCGVPWGDMXOK-NEPJUHHUSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1nncc1C(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078391481 685731383 /nfs/dbraw/zinc/73/13/83/685731383.db2.gz OWQCGVPWGDMXOK-NWDGAFQWSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1nncc1C(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078391482 685731295 /nfs/dbraw/zinc/73/12/95/685731295.db2.gz OWQCGVPWGDMXOK-RYUDHWBXSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1nncc1C(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078391484 685731360 /nfs/dbraw/zinc/73/13/60/685731360.db2.gz OWQCGVPWGDMXOK-VXGBXAGGSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001078393300 685732954 /nfs/dbraw/zinc/73/29/54/685732954.db2.gz NOONOXDLCGMUMO-NEPJUHHUSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001078393301 685732865 /nfs/dbraw/zinc/73/28/65/685732865.db2.gz NOONOXDLCGMUMO-NWDGAFQWSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001078393302 685732817 /nfs/dbraw/zinc/73/28/17/685732817.db2.gz NOONOXDLCGMUMO-RYUDHWBXSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001078393303 685732521 /nfs/dbraw/zinc/73/25/21/685732521.db2.gz NOONOXDLCGMUMO-VXGBXAGGSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001078393686 685732506 /nfs/dbraw/zinc/73/25/06/685732506.db2.gz XFWLPYCLVAXZAV-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001078393687 685732574 /nfs/dbraw/zinc/73/25/74/685732574.db2.gz XFWLPYCLVAXZAV-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001078393688 685732631 /nfs/dbraw/zinc/73/26/31/685732631.db2.gz XFWLPYCLVAXZAV-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001078393689 685732792 /nfs/dbraw/zinc/73/27/92/685732792.db2.gz XFWLPYCLVAXZAV-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)nn1 ZINC001078393788 685733036 /nfs/dbraw/zinc/73/30/36/685733036.db2.gz ZWTCQCRUSIXRBQ-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)nn1 ZINC001078393789 685732940 /nfs/dbraw/zinc/73/29/40/685732940.db2.gz ZWTCQCRUSIXRBQ-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001078393792 685732875 /nfs/dbraw/zinc/73/28/75/685732875.db2.gz ZXKHAEQZDTUIJC-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001078393793 685732993 /nfs/dbraw/zinc/73/29/93/685732993.db2.gz ZXKHAEQZDTUIJC-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)nn1 ZINC001078394549 685732890 /nfs/dbraw/zinc/73/28/90/685732890.db2.gz DPXFOBINLLDWPP-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)nn1 ZINC001078394550 685733008 /nfs/dbraw/zinc/73/30/08/685733008.db2.gz DPXFOBINLLDWPP-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)nn1 ZINC001078394551 685733030 /nfs/dbraw/zinc/73/30/30/685733030.db2.gz DPXFOBINLLDWPP-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)nn1 ZINC001078394552 685732986 /nfs/dbraw/zinc/73/29/86/685732986.db2.gz DPXFOBINLLDWPP-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001078395141 685732642 /nfs/dbraw/zinc/73/26/42/685732642.db2.gz ULISHLQDZWRXTJ-NEPJUHHUSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001078395142 685733044 /nfs/dbraw/zinc/73/30/44/685733044.db2.gz ULISHLQDZWRXTJ-NWDGAFQWSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001078395143 685732961 /nfs/dbraw/zinc/73/29/61/685732961.db2.gz ULISHLQDZWRXTJ-RYUDHWBXSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001078395144 685733053 /nfs/dbraw/zinc/73/30/53/685733053.db2.gz ULISHLQDZWRXTJ-VXGBXAGGSA-N 1 0 336.396 -1.086 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001078395784 685733059 /nfs/dbraw/zinc/73/30/59/685733059.db2.gz SUNHUTRFFZOEIQ-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001078397258 685733602 /nfs/dbraw/zinc/73/36/02/685733602.db2.gz PDZYGKXIXNYBJN-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001078397476 685733884 /nfs/dbraw/zinc/73/38/84/685733884.db2.gz WLUXGXWSAJZPIV-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001078397525 685733568 /nfs/dbraw/zinc/73/35/68/685733568.db2.gz XZQZNEHSGLEYJS-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001078397526 685733651 /nfs/dbraw/zinc/73/36/51/685733651.db2.gz XZXHJLHVOKVKQL-LBPRGKRZSA-N 1 0 340.428 -1.065 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001078398250 685733492 /nfs/dbraw/zinc/73/34/92/685733492.db2.gz JGOQDPWSAWOZNT-ZDUSSCGKSA-N 1 0 341.456 -1.229 20 0 EAADRO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001078399260 685733815 /nfs/dbraw/zinc/73/38/15/685733815.db2.gz WFNVFKYGRXHKRM-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO Cc1nnc(CC(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]1 ZINC001078399710 685733786 /nfs/dbraw/zinc/73/37/86/685733786.db2.gz CVQXPDRRUQOFPE-NEPJUHHUSA-N 1 0 336.396 -1.249 20 0 EAADRO Cc1nnc(CC(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]1 ZINC001078399715 685733612 /nfs/dbraw/zinc/73/36/12/685733612.db2.gz CVQXPDRRUQOFPE-NWDGAFQWSA-N 1 0 336.396 -1.249 20 0 EAADRO Cc1nnc(CC(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]1 ZINC001078399747 685733863 /nfs/dbraw/zinc/73/38/63/685733863.db2.gz CVQXPDRRUQOFPE-RYUDHWBXSA-N 1 0 336.396 -1.249 20 0 EAADRO Cc1nnc(CC(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]1 ZINC001078399753 685733802 /nfs/dbraw/zinc/73/38/02/685733802.db2.gz CVQXPDRRUQOFPE-VXGBXAGGSA-N 1 0 336.396 -1.249 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078401977 685733428 /nfs/dbraw/zinc/73/34/28/685733428.db2.gz AVXRXYHMPKBACJ-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078401978 685733842 /nfs/dbraw/zinc/73/38/42/685733842.db2.gz AVXRXYHMPKBACJ-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402255 685733833 /nfs/dbraw/zinc/73/38/33/685733833.db2.gz JOPIYFOVNQBRES-GFCCVEGCSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402256 685733757 /nfs/dbraw/zinc/73/37/57/685733757.db2.gz JOPIYFOVNQBRES-LBPRGKRZSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402321 685733641 /nfs/dbraw/zinc/73/36/41/685733641.db2.gz KXQMLVHBRGVZLF-GFCCVEGCSA-N 1 0 335.372 -1.791 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402322 685733770 /nfs/dbraw/zinc/73/37/70/685733770.db2.gz KXQMLVHBRGVZLF-LBPRGKRZSA-N 1 0 335.372 -1.791 20 0 EAADRO O=C(Cn1ncnn1)N1CCCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001078402401 685733702 /nfs/dbraw/zinc/73/37/02/685733702.db2.gz MLVDTJSRWAIGGO-JTQLQIEISA-N 1 0 338.397 -1.068 20 0 EAADRO O=C(Cn1ncnn1)N1CCCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001078402402 685733764 /nfs/dbraw/zinc/73/37/64/685733764.db2.gz MLVDTJSRWAIGGO-SNVBAGLBSA-N 1 0 338.397 -1.068 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402531 685733788 /nfs/dbraw/zinc/73/37/88/685733788.db2.gz QOLJNYUVIVYGTO-CYBMUJFWSA-N 1 0 349.399 -1.308 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402532 685733516 /nfs/dbraw/zinc/73/35/16/685733516.db2.gz QOLJNYUVIVYGTO-ZDUSSCGKSA-N 1 0 349.399 -1.308 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCCO2)n1 ZINC001078402609 685733751 /nfs/dbraw/zinc/73/37/51/685733751.db2.gz SORRMENCSAETJR-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCCO2)n1 ZINC001078402610 685733347 /nfs/dbraw/zinc/73/33/47/685733347.db2.gz SORRMENCSAETJR-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO O=C(Cn1ncnn1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078402647 685733541 /nfs/dbraw/zinc/73/35/41/685733541.db2.gz UKMZFEZOVXIZNX-NEPJUHHUSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(Cn1ncnn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078402648 685733825 /nfs/dbraw/zinc/73/38/25/685733825.db2.gz UKMZFEZOVXIZNX-NWDGAFQWSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(Cn1ncnn1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078402649 685733660 /nfs/dbraw/zinc/73/36/60/685733660.db2.gz UKMZFEZOVXIZNX-RYUDHWBXSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(Cn1ncnn1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078402650 685733849 /nfs/dbraw/zinc/73/38/49/685733849.db2.gz UKMZFEZOVXIZNX-VXGBXAGGSA-N 1 0 337.384 -1.841 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402659 685733902 /nfs/dbraw/zinc/73/39/02/685733902.db2.gz USAORBDMHSOCDP-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001078402660 685733558 /nfs/dbraw/zinc/73/35/58/685733558.db2.gz USAORBDMHSOCDP-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCCO2)C1=O ZINC001078402823 685734750 /nfs/dbraw/zinc/73/47/50/685734750.db2.gz YMASXOYZBCHBHN-NEPJUHHUSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCCO2)C1=O ZINC001078402824 685734567 /nfs/dbraw/zinc/73/45/67/685734567.db2.gz YMASXOYZBCHBHN-NWDGAFQWSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCCO2)C1=O ZINC001078402825 685734210 /nfs/dbraw/zinc/73/42/10/685734210.db2.gz YMASXOYZBCHBHN-RYUDHWBXSA-N 1 0 337.384 -1.889 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCCO2)C1=O ZINC001078402826 685734820 /nfs/dbraw/zinc/73/48/20/685734820.db2.gz YMASXOYZBCHBHN-VXGBXAGGSA-N 1 0 337.384 -1.889 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCCO2)cn1 ZINC001078402875 685734238 /nfs/dbraw/zinc/73/42/38/685734238.db2.gz ZZUAYNWFTXMECL-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCCO2)cn1 ZINC001078402876 685734510 /nfs/dbraw/zinc/73/45/10/685734510.db2.gz ZZUAYNWFTXMECL-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCCO[C@H](C[NH2+]CC3CC3)C2)n1 ZINC001078404340 685734806 /nfs/dbraw/zinc/73/48/06/685734806.db2.gz YOLVJHDRKSZMNJ-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCCO[C@@H](C[NH2+]CC3CC3)C2)n1 ZINC001078404341 685734633 /nfs/dbraw/zinc/73/46/33/685734633.db2.gz YOLVJHDRKSZMNJ-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078408065 685734191 /nfs/dbraw/zinc/73/41/91/685734191.db2.gz AVXULSABAWECLK-NEPJUHHUSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078408066 685734652 /nfs/dbraw/zinc/73/46/52/685734652.db2.gz AVXULSABAWECLK-NWDGAFQWSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078408067 685734353 /nfs/dbraw/zinc/73/43/53/685734353.db2.gz AVXULSABAWECLK-RYUDHWBXSA-N 1 0 345.421 -1.873 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078408068 685734737 /nfs/dbraw/zinc/73/47/37/685734737.db2.gz AVXULSABAWECLK-VXGBXAGGSA-N 1 0 345.421 -1.873 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCCO2)C1=O ZINC001078408113 685734550 /nfs/dbraw/zinc/73/45/50/685734550.db2.gz BWTBTOMWSRMWNQ-CHWSQXEVSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCCO2)C1=O ZINC001078408114 685734251 /nfs/dbraw/zinc/73/42/51/685734251.db2.gz BWTBTOMWSRMWNQ-OLZOCXBDSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCCO2)C1=O ZINC001078408115 685734577 /nfs/dbraw/zinc/73/45/77/685734577.db2.gz BWTBTOMWSRMWNQ-QWHCGFSZSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCCO2)C1=O ZINC001078408116 685734788 /nfs/dbraw/zinc/73/47/88/685734788.db2.gz BWTBTOMWSRMWNQ-STQMWFEESA-N 1 0 336.396 -1.284 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CCCO1 ZINC001078408455 685734879 /nfs/dbraw/zinc/73/48/79/685734879.db2.gz MOBDIEJDRCYKFO-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CCCO1 ZINC001078408456 685734595 /nfs/dbraw/zinc/73/45/95/685734595.db2.gz MOBDIEJDRCYKFO-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO O=C(Cn1nccn1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078408645 685734673 /nfs/dbraw/zinc/73/46/73/685734673.db2.gz RQZBAVFPEGIJKH-CHWSQXEVSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(Cn1nccn1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078408646 685734745 /nfs/dbraw/zinc/73/47/45/685734745.db2.gz RQZBAVFPEGIJKH-OLZOCXBDSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(Cn1nccn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078408647 685734754 /nfs/dbraw/zinc/73/47/54/685734754.db2.gz RQZBAVFPEGIJKH-QWHCGFSZSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(Cn1nccn1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078408648 685734859 /nfs/dbraw/zinc/73/48/59/685734859.db2.gz RQZBAVFPEGIJKH-STQMWFEESA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078412451 685734870 /nfs/dbraw/zinc/73/48/70/685734870.db2.gz ZXPQISBDBZPSJP-NEPJUHHUSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078412455 685734522 /nfs/dbraw/zinc/73/45/22/685734522.db2.gz ZXPQISBDBZPSJP-NWDGAFQWSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078412457 685734311 /nfs/dbraw/zinc/73/43/11/685734311.db2.gz ZXPQISBDBZPSJP-RYUDHWBXSA-N 1 0 349.391 -1.015 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078412458 685734726 /nfs/dbraw/zinc/73/47/26/685734726.db2.gz ZXPQISBDBZPSJP-VXGBXAGGSA-N 1 0 349.391 -1.015 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078414244 685732253 /nfs/dbraw/zinc/73/22/53/685732253.db2.gz JDYSONAEIBDHAH-GHMZBOCLSA-N 1 0 326.397 -1.407 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078414245 685732258 /nfs/dbraw/zinc/73/22/58/685732258.db2.gz JDYSONAEIBDHAH-MNOVXSKESA-N 1 0 326.397 -1.407 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078414246 685732262 /nfs/dbraw/zinc/73/22/62/685732262.db2.gz JDYSONAEIBDHAH-QWRGUYRKSA-N 1 0 326.397 -1.407 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078414247 685731708 /nfs/dbraw/zinc/73/17/08/685731708.db2.gz JDYSONAEIBDHAH-WDEREUQCSA-N 1 0 326.397 -1.407 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078414294 685732119 /nfs/dbraw/zinc/73/21/19/685732119.db2.gz KFFVBVPOVYDEEK-NEPJUHHUSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078414295 685732236 /nfs/dbraw/zinc/73/22/36/685732236.db2.gz KFFVBVPOVYDEEK-NWDGAFQWSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078414296 685731888 /nfs/dbraw/zinc/73/18/88/685731888.db2.gz KFFVBVPOVYDEEK-RYUDHWBXSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078414297 685731936 /nfs/dbraw/zinc/73/19/36/685731936.db2.gz KFFVBVPOVYDEEK-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078414642 685731773 /nfs/dbraw/zinc/73/17/73/685731773.db2.gz NZLTYDADQQIIMX-NEPJUHHUSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078414643 685731811 /nfs/dbraw/zinc/73/18/11/685731811.db2.gz NZLTYDADQQIIMX-NWDGAFQWSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078414644 685732130 /nfs/dbraw/zinc/73/21/30/685732130.db2.gz NZLTYDADQQIIMX-RYUDHWBXSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078414645 685731820 /nfs/dbraw/zinc/73/18/20/685731820.db2.gz NZLTYDADQQIIMX-VXGBXAGGSA-N 1 0 335.364 -1.109 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)cc1=O ZINC001078414648 685732086 /nfs/dbraw/zinc/73/20/86/685732086.db2.gz OBHFOGPPJBGJCF-NEPJUHHUSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cc1=O ZINC001078414649 685731918 /nfs/dbraw/zinc/73/19/18/685731918.db2.gz OBHFOGPPJBGJCF-NWDGAFQWSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cc1=O ZINC001078414650 685731972 /nfs/dbraw/zinc/73/19/72/685731972.db2.gz OBHFOGPPJBGJCF-RYUDHWBXSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cc1=O ZINC001078414651 685732208 /nfs/dbraw/zinc/73/22/08/685732208.db2.gz OBHFOGPPJBGJCF-VXGBXAGGSA-N 1 0 349.391 -1.511 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)CCCO2)C1=O ZINC001078414676 685732195 /nfs/dbraw/zinc/73/21/95/685732195.db2.gz OUSSVJHTLCVJNZ-NEPJUHHUSA-N 1 0 340.424 -1.064 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C(C)(C)C(N)=O)CCCO2)C1=O ZINC001078414677 685732213 /nfs/dbraw/zinc/73/22/13/685732213.db2.gz OUSSVJHTLCVJNZ-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C(C)(C)C(N)=O)CCCO2)C1=O ZINC001078414678 685731787 /nfs/dbraw/zinc/73/17/87/685731787.db2.gz OUSSVJHTLCVJNZ-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)CCCO2)C1=O ZINC001078414679 685732015 /nfs/dbraw/zinc/73/20/15/685732015.db2.gz OUSSVJHTLCVJNZ-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078415755 685736573 /nfs/dbraw/zinc/73/65/73/685736573.db2.gz KLFFAUDLQWJGSK-CMPLNLGQSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078415756 685736145 /nfs/dbraw/zinc/73/61/45/685736145.db2.gz KLFFAUDLQWJGSK-JQWIXIFHSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078415757 685736633 /nfs/dbraw/zinc/73/66/33/685736633.db2.gz KLFFAUDLQWJGSK-PWSUYJOCSA-N 1 0 335.364 -1.109 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078415758 685736173 /nfs/dbraw/zinc/73/61/73/685736173.db2.gz KLFFAUDLQWJGSK-ZYHUDNBSSA-N 1 0 335.364 -1.109 20 0 EAADRO C[C@@H](CCNC(=O)CN1CCC(=O)NC1=O)NC(=O)CC[NH+](C)C ZINC001078416522 685736381 /nfs/dbraw/zinc/73/63/81/685736381.db2.gz MNBWGRXZUIOFEO-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO O=C(c1cn[nH]n1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078424175 685735543 /nfs/dbraw/zinc/73/55/43/685735543.db2.gz MXEXXGUSDDSICR-NXEZZACHSA-N 1 0 336.352 -1.569 20 0 EAADRO O=C(c1cn[nH]n1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078424176 685735466 /nfs/dbraw/zinc/73/54/66/685735466.db2.gz MXEXXGUSDDSICR-UWVGGRQHSA-N 1 0 336.352 -1.569 20 0 EAADRO O=C(c1cn[nH]n1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078424177 685735296 /nfs/dbraw/zinc/73/52/96/685735296.db2.gz MXEXXGUSDDSICR-VHSXEESVSA-N 1 0 336.352 -1.569 20 0 EAADRO O=C(c1cn[nH]n1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078424178 685735270 /nfs/dbraw/zinc/73/52/70/685735270.db2.gz MXEXXGUSDDSICR-ZJUUUORDSA-N 1 0 336.352 -1.569 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)ncc1=O ZINC001078432559 685735126 /nfs/dbraw/zinc/73/51/26/685735126.db2.gz CVZZLFMBCSOOBL-NEPJUHHUSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)ncc1=O ZINC001078432560 685735676 /nfs/dbraw/zinc/73/56/76/685735676.db2.gz CVZZLFMBCSOOBL-NWDGAFQWSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)ncc1=O ZINC001078432561 685735405 /nfs/dbraw/zinc/73/54/05/685735405.db2.gz CVZZLFMBCSOOBL-RYUDHWBXSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)ncc1=O ZINC001078432562 685735692 /nfs/dbraw/zinc/73/56/92/685735692.db2.gz CVZZLFMBCSOOBL-VXGBXAGGSA-N 1 0 349.391 -1.511 20 0 EAADRO CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCCO1 ZINC001078434504 685735565 /nfs/dbraw/zinc/73/55/65/685735565.db2.gz JLPDTHLYLGDAFZ-MNOVXSKESA-N 1 0 333.410 -1.873 20 0 EAADRO CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCCO1 ZINC001078434505 685735380 /nfs/dbraw/zinc/73/53/80/685735380.db2.gz JLPDTHLYLGDAFZ-QWRGUYRKSA-N 1 0 333.410 -1.873 20 0 EAADRO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCCO1 ZINC001078434728 685735186 /nfs/dbraw/zinc/73/51/86/685735186.db2.gz QDCHWRQHWVXDAP-NEPJUHHUSA-N 1 0 347.437 -1.485 20 0 EAADRO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCCO1 ZINC001078434729 685735671 /nfs/dbraw/zinc/73/56/71/685735671.db2.gz QDCHWRQHWVXDAP-RYUDHWBXSA-N 1 0 347.437 -1.485 20 0 EAADRO Cn1c(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC001078441174 685735390 /nfs/dbraw/zinc/73/53/90/685735390.db2.gz PPOWPVVWMJXDIH-GHMZBOCLSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1c(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c[nH]c1=O ZINC001078441175 685735766 /nfs/dbraw/zinc/73/57/66/685735766.db2.gz PPOWPVVWMJXDIH-MNOVXSKESA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1c(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c[nH]c1=O ZINC001078441176 685735160 /nfs/dbraw/zinc/73/51/60/685735160.db2.gz PPOWPVVWMJXDIH-QWRGUYRKSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1c(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC001078441177 685735318 /nfs/dbraw/zinc/73/53/18/685735318.db2.gz PPOWPVVWMJXDIH-WDEREUQCSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCCO1 ZINC001078441240 685735704 /nfs/dbraw/zinc/73/57/04/685735704.db2.gz QVQXHZLYPNDQBX-CHWSQXEVSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001078441241 685735613 /nfs/dbraw/zinc/73/56/13/685735613.db2.gz QVQXHZLYPNDQBX-OLZOCXBDSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCCO1 ZINC001078441242 685735173 /nfs/dbraw/zinc/73/51/73/685735173.db2.gz QVQXHZLYPNDQBX-QWHCGFSZSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001078441243 685735356 /nfs/dbraw/zinc/73/53/56/685735356.db2.gz QVQXHZLYPNDQBX-STQMWFEESA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCCO2)n1 ZINC001078449392 685740397 /nfs/dbraw/zinc/74/03/97/685740397.db2.gz ASSJMEPBTJUJAW-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCCO2)n1 ZINC001078449393 685740427 /nfs/dbraw/zinc/74/04/27/685740427.db2.gz ASSJMEPBTJUJAW-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCCO2)cn1 ZINC001078449410 685740177 /nfs/dbraw/zinc/74/01/77/685740177.db2.gz BGCRABZIJPICQO-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCCO2)cn1 ZINC001078449411 685740743 /nfs/dbraw/zinc/74/07/43/685740743.db2.gz BGCRABZIJPICQO-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001078449430 685740793 /nfs/dbraw/zinc/74/07/93/685740793.db2.gz BPBMSLHQTSFKPV-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001078449431 685740474 /nfs/dbraw/zinc/74/04/74/685740474.db2.gz BPBMSLHQTSFKPV-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001078449492 685740195 /nfs/dbraw/zinc/74/01/95/685740195.db2.gz CWFDHSMVOLBUTE-GHMZBOCLSA-N 1 0 337.384 -1.691 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001078449493 685740164 /nfs/dbraw/zinc/74/01/64/685740164.db2.gz CWFDHSMVOLBUTE-MNOVXSKESA-N 1 0 337.384 -1.691 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001078449494 685740497 /nfs/dbraw/zinc/74/04/97/685740497.db2.gz CWFDHSMVOLBUTE-QWRGUYRKSA-N 1 0 337.384 -1.691 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001078449495 685740238 /nfs/dbraw/zinc/74/02/38/685740238.db2.gz CWFDHSMVOLBUTE-WDEREUQCSA-N 1 0 337.384 -1.691 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001078449852 685740370 /nfs/dbraw/zinc/74/03/70/685740370.db2.gz LJGKECPEJGNAGS-LLVKDONJSA-N 1 0 335.372 -1.641 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001078449853 685740149 /nfs/dbraw/zinc/74/01/49/685740149.db2.gz LJGKECPEJGNAGS-NSHDSACASA-N 1 0 335.372 -1.641 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001078450054 685740594 /nfs/dbraw/zinc/74/05/94/685740594.db2.gz QCMVKAMWILFIOG-GFCCVEGCSA-N 1 0 349.399 -1.158 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001078450055 685740302 /nfs/dbraw/zinc/74/03/02/685740302.db2.gz QCMVKAMWILFIOG-LBPRGKRZSA-N 1 0 349.399 -1.158 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001078450070 685736261 /nfs/dbraw/zinc/73/62/61/685736261.db2.gz QIDYUUCFTALRLG-GHMZBOCLSA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001078450071 685736135 /nfs/dbraw/zinc/73/61/35/685736135.db2.gz QIDYUUCFTALRLG-MNOVXSKESA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001078450072 685736069 /nfs/dbraw/zinc/73/60/69/685736069.db2.gz QIDYUUCFTALRLG-QWRGUYRKSA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001078450073 685736624 /nfs/dbraw/zinc/73/66/24/685736624.db2.gz QIDYUUCFTALRLG-WDEREUQCSA-N 1 0 337.384 -1.739 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccnn3C)C2)n1 ZINC001078450292 685736081 /nfs/dbraw/zinc/73/60/81/685736081.db2.gz WGKUEAGYYCWFAD-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccnn3C)C2)n1 ZINC001078450293 685736345 /nfs/dbraw/zinc/73/63/45/685736345.db2.gz WGKUEAGYYCWFAD-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001078450426 685736100 /nfs/dbraw/zinc/73/61/00/685736100.db2.gz YSXJGDMHGVODGS-LLVKDONJSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001078450427 685736601 /nfs/dbraw/zinc/73/66/01/685736601.db2.gz YSXJGDMHGVODGS-NSHDSACASA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)CC[NH+](C)C ZINC001078454525 685737143 /nfs/dbraw/zinc/73/71/43/685737143.db2.gz IAQWKLZNLGZYCD-SDDRHHMPSA-N 1 0 328.413 -1.018 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001078454931 685736884 /nfs/dbraw/zinc/73/68/84/685736884.db2.gz AIGSHZAOFJAACA-GFCCVEGCSA-N 1 0 347.379 -1.081 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001078454932 685737386 /nfs/dbraw/zinc/73/73/86/685737386.db2.gz AIGSHZAOFJAACA-LBPRGKRZSA-N 1 0 347.379 -1.081 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078454943 685737335 /nfs/dbraw/zinc/73/73/35/685737335.db2.gz AZOQPUVVWLTWTR-CHWSQXEVSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078454944 685737359 /nfs/dbraw/zinc/73/73/59/685737359.db2.gz AZOQPUVVWLTWTR-OLZOCXBDSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078454945 685737150 /nfs/dbraw/zinc/73/71/50/685737150.db2.gz AZOQPUVVWLTWTR-QWHCGFSZSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078454946 685737041 /nfs/dbraw/zinc/73/70/41/685737041.db2.gz AZOQPUVVWLTWTR-STQMWFEESA-N 1 0 336.396 -1.191 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078454951 685736960 /nfs/dbraw/zinc/73/69/60/685736960.db2.gz BHICGMPBDZFFQE-NEPJUHHUSA-N 1 0 349.391 -1.131 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078454952 685737129 /nfs/dbraw/zinc/73/71/29/685737129.db2.gz BHICGMPBDZFFQE-NWDGAFQWSA-N 1 0 349.391 -1.131 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078454953 685736943 /nfs/dbraw/zinc/73/69/43/685736943.db2.gz BHICGMPBDZFFQE-RYUDHWBXSA-N 1 0 349.391 -1.131 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078454954 685737297 /nfs/dbraw/zinc/73/72/97/685737297.db2.gz BHICGMPBDZFFQE-VXGBXAGGSA-N 1 0 349.391 -1.131 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCCO2)C1=O ZINC001078455051 685737304 /nfs/dbraw/zinc/73/73/04/685737304.db2.gz DKOWNUOTGWZYRR-NEPJUHHUSA-N 1 0 349.391 -1.179 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCCO2)C1=O ZINC001078455052 685737369 /nfs/dbraw/zinc/73/73/69/685737369.db2.gz DKOWNUOTGWZYRR-NWDGAFQWSA-N 1 0 349.391 -1.179 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCCO2)C1=O ZINC001078455053 685737235 /nfs/dbraw/zinc/73/72/35/685737235.db2.gz DKOWNUOTGWZYRR-RYUDHWBXSA-N 1 0 349.391 -1.179 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCCO2)C1=O ZINC001078455054 685736928 /nfs/dbraw/zinc/73/69/28/685736928.db2.gz DKOWNUOTGWZYRR-VXGBXAGGSA-N 1 0 349.391 -1.179 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCCO2)cn1 ZINC001078455359 685737099 /nfs/dbraw/zinc/73/70/99/685737099.db2.gz LAWNCIYNOWVJJE-CHWSQXEVSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCCO2)cn1 ZINC001078455360 685736818 /nfs/dbraw/zinc/73/68/18/685736818.db2.gz LAWNCIYNOWVJJE-OLZOCXBDSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCCO2)cn1 ZINC001078455361 685738226 /nfs/dbraw/zinc/73/82/26/685738226.db2.gz LAWNCIYNOWVJJE-QWHCGFSZSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCCO2)cn1 ZINC001078455362 685737858 /nfs/dbraw/zinc/73/78/58/685737858.db2.gz LAWNCIYNOWVJJE-STQMWFEESA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078455705 685737834 /nfs/dbraw/zinc/73/78/34/685737834.db2.gz SRZIPYFTNMYNRQ-NEPJUHHUSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078455706 685738267 /nfs/dbraw/zinc/73/82/67/685738267.db2.gz SRZIPYFTNMYNRQ-NWDGAFQWSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078455707 685738076 /nfs/dbraw/zinc/73/80/76/685738076.db2.gz SRZIPYFTNMYNRQ-RYUDHWBXSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078455708 685737606 /nfs/dbraw/zinc/73/76/06/685737606.db2.gz SRZIPYFTNMYNRQ-VXGBXAGGSA-N 1 0 336.396 -1.191 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078455805 685737557 /nfs/dbraw/zinc/73/75/57/685737557.db2.gz VRGRASDKJDLRJI-GHMZBOCLSA-N 1 0 335.364 -1.521 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078455806 685738190 /nfs/dbraw/zinc/73/81/90/685738190.db2.gz VRGRASDKJDLRJI-MNOVXSKESA-N 1 0 335.364 -1.521 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078455807 685737642 /nfs/dbraw/zinc/73/76/42/685737642.db2.gz VRGRASDKJDLRJI-QWRGUYRKSA-N 1 0 335.364 -1.521 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078455808 685737703 /nfs/dbraw/zinc/73/77/03/685737703.db2.gz VRGRASDKJDLRJI-WDEREUQCSA-N 1 0 335.364 -1.521 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078455837 685737760 /nfs/dbraw/zinc/73/77/60/685737760.db2.gz WHQSFRJJLMXJQR-CHWSQXEVSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078455838 685738181 /nfs/dbraw/zinc/73/81/81/685738181.db2.gz WHQSFRJJLMXJQR-OLZOCXBDSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078455839 685738052 /nfs/dbraw/zinc/73/80/52/685738052.db2.gz WHQSFRJJLMXJQR-QWHCGFSZSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078455840 685737748 /nfs/dbraw/zinc/73/77/48/685737748.db2.gz WHQSFRJJLMXJQR-STQMWFEESA-N 1 0 336.396 -1.191 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001078456614 685737582 /nfs/dbraw/zinc/73/75/82/685737582.db2.gz CIRLISGWEMZEKB-GXSJLCMTSA-N 1 0 340.409 -1.073 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001078456615 685737588 /nfs/dbraw/zinc/73/75/88/685737588.db2.gz CIRLISGWEMZEKB-KOLCDFICSA-N 1 0 340.409 -1.073 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001078456616 685737793 /nfs/dbraw/zinc/73/77/93/685737793.db2.gz CIRLISGWEMZEKB-MWLCHTKSSA-N 1 0 340.409 -1.073 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001078456617 685737912 /nfs/dbraw/zinc/73/79/12/685737912.db2.gz CIRLISGWEMZEKB-ONGXEEELSA-N 1 0 340.409 -1.073 20 0 EAADRO COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)c(C)n1 ZINC001078456622 685737873 /nfs/dbraw/zinc/73/78/73/685737873.db2.gz CRXLIJJQFQRYEY-GFCCVEGCSA-N 1 0 337.380 -1.014 20 0 EAADRO COc1ncc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)c(C)n1 ZINC001078456623 685737672 /nfs/dbraw/zinc/73/76/72/685737672.db2.gz CRXLIJJQFQRYEY-LBPRGKRZSA-N 1 0 337.380 -1.014 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001078456684 685737901 /nfs/dbraw/zinc/73/79/01/685737901.db2.gz FFYLPKVPJFODTI-GFCCVEGCSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001078456685 685738294 /nfs/dbraw/zinc/73/82/94/685738294.db2.gz FFYLPKVPJFODTI-LBPRGKRZSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001078456810 685737600 /nfs/dbraw/zinc/73/76/00/685737600.db2.gz HOIGRTBVOVDMGY-CYBMUJFWSA-N 1 0 334.376 -1.022 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001078456811 685738650 /nfs/dbraw/zinc/73/86/50/685738650.db2.gz HOIGRTBVOVDMGY-ZDUSSCGKSA-N 1 0 334.376 -1.022 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCCO2)n1 ZINC001078457182 685739172 /nfs/dbraw/zinc/73/91/72/685739172.db2.gz QPBWZQLREWSQHG-CHWSQXEVSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCCO2)n1 ZINC001078457183 685738529 /nfs/dbraw/zinc/73/85/29/685738529.db2.gz QPBWZQLREWSQHG-OLZOCXBDSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCCO2)n1 ZINC001078457184 685738451 /nfs/dbraw/zinc/73/84/51/685738451.db2.gz QPBWZQLREWSQHG-QWHCGFSZSA-N 1 0 336.396 -1.191 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCCO2)n1 ZINC001078457185 685739150 /nfs/dbraw/zinc/73/91/50/685739150.db2.gz QPBWZQLREWSQHG-STQMWFEESA-N 1 0 336.396 -1.191 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001078457228 685738704 /nfs/dbraw/zinc/73/87/04/685738704.db2.gz RSXPZOZIWOLSHM-LLVKDONJSA-N 1 0 348.363 -1.785 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001078457229 685739178 /nfs/dbraw/zinc/73/91/78/685739178.db2.gz RSXPZOZIWOLSHM-NSHDSACASA-N 1 0 348.363 -1.785 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078457368 685739046 /nfs/dbraw/zinc/73/90/46/685739046.db2.gz VOASTMGSRKKQLR-NEPJUHHUSA-N 1 0 337.384 -1.796 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078457369 685739016 /nfs/dbraw/zinc/73/90/16/685739016.db2.gz VOASTMGSRKKQLR-NWDGAFQWSA-N 1 0 337.384 -1.796 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001078457370 685739125 /nfs/dbraw/zinc/73/91/25/685739125.db2.gz VOASTMGSRKKQLR-RYUDHWBXSA-N 1 0 337.384 -1.796 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001078457371 685738893 /nfs/dbraw/zinc/73/88/93/685738893.db2.gz VOASTMGSRKKQLR-VXGBXAGGSA-N 1 0 337.384 -1.796 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001078457386 685738906 /nfs/dbraw/zinc/73/89/06/685738906.db2.gz VZQNCPWNXFBASK-CYBMUJFWSA-N 1 0 334.376 -1.022 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001078457387 685739077 /nfs/dbraw/zinc/73/90/77/685739077.db2.gz VZQNCPWNXFBASK-ZDUSSCGKSA-N 1 0 334.376 -1.022 20 0 EAADRO NC(=O)C1(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001078458141 685739818 /nfs/dbraw/zinc/73/98/18/685739818.db2.gz APGAQRDIBLQVPL-NEPJUHHUSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C1(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001078458142 685739949 /nfs/dbraw/zinc/73/99/49/685739949.db2.gz APGAQRDIBLQVPL-NWDGAFQWSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C1(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001078458143 685739894 /nfs/dbraw/zinc/73/98/94/685739894.db2.gz APGAQRDIBLQVPL-RYUDHWBXSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C1(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001078458144 685740028 /nfs/dbraw/zinc/74/00/28/685740028.db2.gz APGAQRDIBLQVPL-VXGBXAGGSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001078458175 685739627 /nfs/dbraw/zinc/73/96/27/685739627.db2.gz BBTSWIVPJVLIKA-NEPJUHHUSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001078458176 685739905 /nfs/dbraw/zinc/73/99/05/685739905.db2.gz BBTSWIVPJVLIKA-NWDGAFQWSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001078458177 685739378 /nfs/dbraw/zinc/73/93/78/685739378.db2.gz BBTSWIVPJVLIKA-RYUDHWBXSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001078458178 685739356 /nfs/dbraw/zinc/73/93/56/685739356.db2.gz BBTSWIVPJVLIKA-VXGBXAGGSA-N 1 0 326.397 -1.405 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCCO2)C1=O ZINC001078458353 685739809 /nfs/dbraw/zinc/73/98/09/685739809.db2.gz GDXANZGMOKKNPM-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCCO2)C1=O ZINC001078458354 685739604 /nfs/dbraw/zinc/73/96/04/685739604.db2.gz GDXANZGMOKKNPM-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCCO2)C1=O ZINC001078458355 685739956 /nfs/dbraw/zinc/73/99/56/685739956.db2.gz GDXANZGMOKKNPM-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCCO2)C1=O ZINC001078458356 685739383 /nfs/dbraw/zinc/73/93/83/685739383.db2.gz GDXANZGMOKKNPM-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCCO1 ZINC001078458419 685739594 /nfs/dbraw/zinc/73/95/94/685739594.db2.gz HWONEHXVMHJRMK-GFCCVEGCSA-N 1 0 336.396 -1.212 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCCO1 ZINC001078458420 685739870 /nfs/dbraw/zinc/73/98/70/685739870.db2.gz HWONEHXVMHJRMK-LBPRGKRZSA-N 1 0 336.396 -1.212 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001078458899 685739585 /nfs/dbraw/zinc/73/95/85/685739585.db2.gz VJDXEAYMXJLDSV-CHWSQXEVSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001078458900 685740020 /nfs/dbraw/zinc/74/00/20/685740020.db2.gz VJDXEAYMXJLDSV-OLZOCXBDSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001078458901 685739366 /nfs/dbraw/zinc/73/93/66/685739366.db2.gz VJDXEAYMXJLDSV-QWHCGFSZSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001078458902 685739763 /nfs/dbraw/zinc/73/97/63/685739763.db2.gz VJDXEAYMXJLDSV-STQMWFEESA-N 1 0 338.408 -1.168 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458931 685739885 /nfs/dbraw/zinc/73/98/85/685739885.db2.gz WHIPXBYNJKYXIT-NEPJUHHUSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458932 685739554 /nfs/dbraw/zinc/73/95/54/685739554.db2.gz WHIPXBYNJKYXIT-NWDGAFQWSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458933 685739536 /nfs/dbraw/zinc/73/95/36/685739536.db2.gz WHIPXBYNJKYXIT-RYUDHWBXSA-N 1 0 326.397 -1.312 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458934 685739787 /nfs/dbraw/zinc/73/97/87/685739787.db2.gz WHIPXBYNJKYXIT-VXGBXAGGSA-N 1 0 326.397 -1.312 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001078458963 685740838 /nfs/dbraw/zinc/74/08/38/685740838.db2.gz XGVODTMZTIUDIN-NEPJUHHUSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001078458964 685740942 /nfs/dbraw/zinc/74/09/42/685740942.db2.gz XGVODTMZTIUDIN-NWDGAFQWSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001078458965 685740294 /nfs/dbraw/zinc/74/02/94/685740294.db2.gz XGVODTMZTIUDIN-RYUDHWBXSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001078458966 685740663 /nfs/dbraw/zinc/74/06/63/685740663.db2.gz XGVODTMZTIUDIN-VXGBXAGGSA-N 1 0 347.437 -1.496 20 0 EAADRO COc1coc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)cc1=O ZINC001078458975 685740877 /nfs/dbraw/zinc/74/08/77/685740877.db2.gz XKRZDENXCBIPSW-LLVKDONJSA-N 1 0 339.348 -1.159 20 0 EAADRO COc1coc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)cc1=O ZINC001078458976 685740267 /nfs/dbraw/zinc/74/02/67/685740267.db2.gz XKRZDENXCBIPSW-NSHDSACASA-N 1 0 339.348 -1.159 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001078459113 685740455 /nfs/dbraw/zinc/74/04/55/685740455.db2.gz ZRKBAAWMOIZJCZ-GHMZBOCLSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001078459114 685740228 /nfs/dbraw/zinc/74/02/28/685740228.db2.gz ZRKBAAWMOIZJCZ-MNOVXSKESA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001078459115 685740408 /nfs/dbraw/zinc/74/04/08/685740408.db2.gz ZRKBAAWMOIZJCZ-QWRGUYRKSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001078459116 685740575 /nfs/dbraw/zinc/74/05/75/685740575.db2.gz ZRKBAAWMOIZJCZ-WDEREUQCSA-N 1 0 333.410 -1.887 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]c1=O ZINC001078460618 685740774 /nfs/dbraw/zinc/74/07/74/685740774.db2.gz WXARSLARVVDFRA-GHMZBOCLSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]c1=O ZINC001078460619 685740948 /nfs/dbraw/zinc/74/09/48/685740948.db2.gz WXARSLARVVDFRA-MNOVXSKESA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]c1=O ZINC001078460620 685740719 /nfs/dbraw/zinc/74/07/19/685740719.db2.gz WXARSLARVVDFRA-QWRGUYRKSA-N 1 0 337.380 -1.165 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]c1=O ZINC001078460621 685740318 /nfs/dbraw/zinc/74/03/18/685740318.db2.gz WXARSLARVVDFRA-WDEREUQCSA-N 1 0 337.380 -1.165 20 0 EAADRO CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCCO1 ZINC001078467113 685741785 /nfs/dbraw/zinc/74/17/85/685741785.db2.gz UQYSVWAHHNEKKQ-SECBINFHSA-N 1 0 331.398 -1.102 20 0 EAADRO CC[NH2+]C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CCCO1 ZINC001078467114 685741451 /nfs/dbraw/zinc/74/14/51/685741451.db2.gz UQYSVWAHHNEKKQ-VIFPVBQESA-N 1 0 331.398 -1.102 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]1 ZINC001078468823 685741680 /nfs/dbraw/zinc/74/16/80/685741680.db2.gz PGEJAIMLLNTHDB-CMPLNLGQSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]1 ZINC001078468824 685741125 /nfs/dbraw/zinc/74/11/25/685741125.db2.gz PGEJAIMLLNTHDB-JQWIXIFHSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)[nH]1 ZINC001078468825 685741791 /nfs/dbraw/zinc/74/17/91/685741791.db2.gz PGEJAIMLLNTHDB-PWSUYJOCSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1ccc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)[nH]1 ZINC001078468826 685741803 /nfs/dbraw/zinc/74/18/03/685741803.db2.gz PGEJAIMLLNTHDB-ZYHUDNBSSA-N 1 0 349.391 -1.177 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCCO1 ZINC001078470055 685741142 /nfs/dbraw/zinc/74/11/42/685741142.db2.gz FPXZEUMGTQXSLM-UPJWGTAASA-N 1 0 336.396 -1.356 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCCO1 ZINC001078470056 685741569 /nfs/dbraw/zinc/74/15/69/685741569.db2.gz FPXZEUMGTQXSLM-XQQFMLRXSA-N 1 0 336.396 -1.356 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078471990 685741780 /nfs/dbraw/zinc/74/17/80/685741780.db2.gz KYRDPQWSPHVNJN-CHWSQXEVSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078471991 685741589 /nfs/dbraw/zinc/74/15/89/685741589.db2.gz KYRDPQWSPHVNJN-OLZOCXBDSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078471992 685741760 /nfs/dbraw/zinc/74/17/60/685741760.db2.gz KYRDPQWSPHVNJN-QWHCGFSZSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078471993 685741812 /nfs/dbraw/zinc/74/18/12/685741812.db2.gz KYRDPQWSPHVNJN-STQMWFEESA-N 1 0 336.396 -1.167 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001078474329 685741716 /nfs/dbraw/zinc/74/17/16/685741716.db2.gz AXDVWDLOKCMSSO-NEPJUHHUSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001078474330 685741664 /nfs/dbraw/zinc/74/16/64/685741664.db2.gz AXDVWDLOKCMSSO-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078478789 685741709 /nfs/dbraw/zinc/74/17/09/685741709.db2.gz LYYJGYAYYHGARN-CHWSQXEVSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078478790 685741673 /nfs/dbraw/zinc/74/16/73/685741673.db2.gz LYYJGYAYYHGARN-OLZOCXBDSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078478791 685741408 /nfs/dbraw/zinc/74/14/08/685741408.db2.gz LYYJGYAYYHGARN-QWHCGFSZSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078478792 685741821 /nfs/dbraw/zinc/74/18/21/685741821.db2.gz LYYJGYAYYHGARN-STQMWFEESA-N 1 0 349.391 -1.036 20 0 EAADRO CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCCO1 ZINC001078481408 685741272 /nfs/dbraw/zinc/74/12/72/685741272.db2.gz RFWDXYIMSARMJV-JTQLQIEISA-N 1 0 326.353 -1.366 20 0 EAADRO CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCCO1 ZINC001078481417 685741241 /nfs/dbraw/zinc/74/12/41/685741241.db2.gz RFWDXYIMSARMJV-SNVBAGLBSA-N 1 0 326.353 -1.366 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001078485689 685741796 /nfs/dbraw/zinc/74/17/96/685741796.db2.gz DQGAJSCVSOLWDO-NEPJUHHUSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001078485690 685741431 /nfs/dbraw/zinc/74/14/31/685741431.db2.gz DQGAJSCVSOLWDO-NWDGAFQWSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)n1 ZINC001078485691 685742467 /nfs/dbraw/zinc/74/24/67/685742467.db2.gz DQGAJSCVSOLWDO-RYUDHWBXSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)n1 ZINC001078485692 685742526 /nfs/dbraw/zinc/74/25/26/685742526.db2.gz DQGAJSCVSOLWDO-VXGBXAGGSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001078485849 685742640 /nfs/dbraw/zinc/74/26/40/685742640.db2.gz INOVBENRRZCLFW-GFCCVEGCSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)n1 ZINC001078485850 685742521 /nfs/dbraw/zinc/74/25/21/685742521.db2.gz INOVBENRRZCLFW-LBPRGKRZSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001078485921 685742541 /nfs/dbraw/zinc/74/25/41/685742541.db2.gz KBBOSIFSLKTPFZ-NEPJUHHUSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001078485922 685742514 /nfs/dbraw/zinc/74/25/14/685742514.db2.gz KBBOSIFSLKTPFZ-NWDGAFQWSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001078485923 685742456 /nfs/dbraw/zinc/74/24/56/685742456.db2.gz KBBOSIFSLKTPFZ-RYUDHWBXSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1ncc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001078485924 685742441 /nfs/dbraw/zinc/74/24/41/685742441.db2.gz KBBOSIFSLKTPFZ-VXGBXAGGSA-N 1 0 336.396 -1.086 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)COCC[NH+](C)C ZINC001078486695 685742619 /nfs/dbraw/zinc/74/26/19/685742619.db2.gz KSDRKOCALMPGLV-TUAOUCFPSA-N 1 0 328.413 -1.303 20 0 EAADRO O=C(c1nc[nH]n1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078487823 685742506 /nfs/dbraw/zinc/74/25/06/685742506.db2.gz QHGFICMQPKUPSE-NXEZZACHSA-N 1 0 336.352 -1.569 20 0 EAADRO O=C(c1nc[nH]n1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078487824 685742546 /nfs/dbraw/zinc/74/25/46/685742546.db2.gz QHGFICMQPKUPSE-UWVGGRQHSA-N 1 0 336.352 -1.569 20 0 EAADRO O=C(c1nc[nH]n1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078487825 685742193 /nfs/dbraw/zinc/74/21/93/685742193.db2.gz QHGFICMQPKUPSE-VHSXEESVSA-N 1 0 336.352 -1.569 20 0 EAADRO O=C(c1nc[nH]n1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078487826 685742371 /nfs/dbraw/zinc/74/23/71/685742371.db2.gz QHGFICMQPKUPSE-ZJUUUORDSA-N 1 0 336.352 -1.569 20 0 EAADRO O=C(c1cnon1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078488621 685742323 /nfs/dbraw/zinc/74/23/23/685742323.db2.gz FECKNSVEUBXDFX-NXEZZACHSA-N 1 0 337.336 -1.305 20 0 EAADRO O=C(c1cnon1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078488622 685742594 /nfs/dbraw/zinc/74/25/94/685742594.db2.gz FECKNSVEUBXDFX-UWVGGRQHSA-N 1 0 337.336 -1.305 20 0 EAADRO O=C(c1cnon1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078488623 685742630 /nfs/dbraw/zinc/74/26/30/685742630.db2.gz FECKNSVEUBXDFX-VHSXEESVSA-N 1 0 337.336 -1.305 20 0 EAADRO O=C(c1cnon1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078488624 685742398 /nfs/dbraw/zinc/74/23/98/685742398.db2.gz FECKNSVEUBXDFX-ZJUUUORDSA-N 1 0 337.336 -1.305 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001078491994 685743313 /nfs/dbraw/zinc/74/33/13/685743313.db2.gz CYHCGHIMLFPJDF-CYBMUJFWSA-N 1 0 349.399 -1.401 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001078491995 685743358 /nfs/dbraw/zinc/74/33/58/685743358.db2.gz CYHCGHIMLFPJDF-ZDUSSCGKSA-N 1 0 349.399 -1.401 20 0 EAADRO O=C(CCn1cnnn1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078492412 685743223 /nfs/dbraw/zinc/74/32/23/685743223.db2.gz PIEPKEQIVXMLCR-NEPJUHHUSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(CCn1cnnn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078492413 685743191 /nfs/dbraw/zinc/74/31/91/685743191.db2.gz PIEPKEQIVXMLCR-NWDGAFQWSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(CCn1cnnn1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078492414 685743236 /nfs/dbraw/zinc/74/32/36/685743236.db2.gz PIEPKEQIVXMLCR-RYUDHWBXSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(CCn1cnnn1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078492415 685743259 /nfs/dbraw/zinc/74/32/59/685743259.db2.gz PIEPKEQIVXMLCR-VXGBXAGGSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078492548 685742988 /nfs/dbraw/zinc/74/29/88/685742988.db2.gz SRVICYZKKRLJGI-NEPJUHHUSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078492549 685743199 /nfs/dbraw/zinc/74/31/99/685743199.db2.gz SRVICYZKKRLJGI-NWDGAFQWSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078492550 685743214 /nfs/dbraw/zinc/74/32/14/685743214.db2.gz SRVICYZKKRLJGI-RYUDHWBXSA-N 1 0 349.391 -1.036 20 0 EAADRO O=C(Cc1ncc[nH]1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078492551 685743397 /nfs/dbraw/zinc/74/33/97/685743397.db2.gz SRVICYZKKRLJGI-VXGBXAGGSA-N 1 0 349.391 -1.036 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001078494254 685743751 /nfs/dbraw/zinc/74/37/51/685743751.db2.gz XOIBTRNRPKWUIR-NEPJUHHUSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001078494255 685743818 /nfs/dbraw/zinc/74/38/18/685743818.db2.gz XOIBTRNRPKWUIR-NWDGAFQWSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001078494256 685743717 /nfs/dbraw/zinc/74/37/17/685743717.db2.gz XOIBTRNRPKWUIR-RYUDHWBXSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001078494257 685744122 /nfs/dbraw/zinc/74/41/22/685744122.db2.gz XOIBTRNRPKWUIR-VXGBXAGGSA-N 1 0 349.391 -1.177 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078496432 685743936 /nfs/dbraw/zinc/74/39/36/685743936.db2.gz GZPUQFGBTLHKCQ-NEPJUHHUSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078496433 685743960 /nfs/dbraw/zinc/74/39/60/685743960.db2.gz GZPUQFGBTLHKCQ-NWDGAFQWSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078496434 685743806 /nfs/dbraw/zinc/74/38/06/685743806.db2.gz GZPUQFGBTLHKCQ-RYUDHWBXSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078496435 685744014 /nfs/dbraw/zinc/74/40/14/685744014.db2.gz GZPUQFGBTLHKCQ-VXGBXAGGSA-N 1 0 336.396 -1.167 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCCO2)C1=O ZINC001078496474 685743869 /nfs/dbraw/zinc/74/38/69/685743869.db2.gz HSEYJDJLCNWAGC-NEPJUHHUSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCCO2)C1=O ZINC001078496475 685743995 /nfs/dbraw/zinc/74/39/95/685743995.db2.gz HSEYJDJLCNWAGC-NWDGAFQWSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCCO2)C1=O ZINC001078496476 685743929 /nfs/dbraw/zinc/74/39/29/685743929.db2.gz HSEYJDJLCNWAGC-RYUDHWBXSA-N 1 0 336.396 -1.215 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCCO2)C1=O ZINC001078496477 685743888 /nfs/dbraw/zinc/74/38/88/685743888.db2.gz HSEYJDJLCNWAGC-VXGBXAGGSA-N 1 0 336.396 -1.215 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCCO1 ZINC001078496566 685744083 /nfs/dbraw/zinc/74/40/83/685744083.db2.gz JRBYAZLUNPSGEF-GFCCVEGCSA-N 1 0 334.384 -1.117 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cc2nnc[nH]2)CCCO1 ZINC001078496567 685743950 /nfs/dbraw/zinc/74/39/50/685743950.db2.gz JRBYAZLUNPSGEF-LBPRGKRZSA-N 1 0 334.384 -1.117 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001078500511 685744988 /nfs/dbraw/zinc/74/49/88/685744988.db2.gz PLPFIPXVVFVWBV-OLZOCXBDSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001078500512 685745002 /nfs/dbraw/zinc/74/50/02/685745002.db2.gz PLPFIPXVVFVWBV-STQMWFEESA-N 1 0 336.396 -1.199 20 0 EAADRO O=C(Cn1cncn1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078503799 685744942 /nfs/dbraw/zinc/74/49/42/685744942.db2.gz AKSZCFPMVFAUDQ-CHWSQXEVSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(Cn1cncn1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078503800 685744793 /nfs/dbraw/zinc/74/47/93/685744793.db2.gz AKSZCFPMVFAUDQ-OLZOCXBDSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(Cn1cncn1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078503801 685744823 /nfs/dbraw/zinc/74/48/23/685744823.db2.gz AKSZCFPMVFAUDQ-QWHCGFSZSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(Cn1cncn1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078503802 685744622 /nfs/dbraw/zinc/74/46/22/685744622.db2.gz AKSZCFPMVFAUDQ-STQMWFEESA-N 1 0 336.396 -1.236 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CCCO1 ZINC001078503907 685744814 /nfs/dbraw/zinc/74/48/14/685744814.db2.gz DBACEMDAGZUOGS-CYBMUJFWSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CCCO1 ZINC001078503908 685744836 /nfs/dbraw/zinc/74/48/36/685744836.db2.gz DBACEMDAGZUOGS-ZDUSSCGKSA-N 1 0 334.384 -1.186 20 0 EAADRO Cn1nc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)ccc1=O ZINC001078503929 685744663 /nfs/dbraw/zinc/74/46/63/685744663.db2.gz DOOWGCQYAIIQCX-NEPJUHHUSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)ccc1=O ZINC001078503930 685744859 /nfs/dbraw/zinc/74/48/59/685744859.db2.gz DOOWGCQYAIIQCX-NWDGAFQWSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)ccc1=O ZINC001078503931 685744977 /nfs/dbraw/zinc/74/49/77/685744977.db2.gz DOOWGCQYAIIQCX-RYUDHWBXSA-N 1 0 349.391 -1.511 20 0 EAADRO Cn1nc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)ccc1=O ZINC001078503932 685744879 /nfs/dbraw/zinc/74/48/79/685744879.db2.gz DOOWGCQYAIIQCX-VXGBXAGGSA-N 1 0 349.391 -1.511 20 0 EAADRO CC[NH2+]C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCCO1 ZINC001078505429 685744843 /nfs/dbraw/zinc/74/48/43/685744843.db2.gz AYBXXDUPOLMHGG-CYBMUJFWSA-N 1 0 333.454 -1.056 20 0 EAADRO CC[NH2+]C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCCO1 ZINC001078505430 685744682 /nfs/dbraw/zinc/74/46/82/685744682.db2.gz AYBXXDUPOLMHGG-ZDUSSCGKSA-N 1 0 333.454 -1.056 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)CCCO2)C1=O ZINC001078505491 685744909 /nfs/dbraw/zinc/74/49/09/685744909.db2.gz CLDHZNTUAQNHOA-CHWSQXEVSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)CCCO2)C1=O ZINC001078505492 685744684 /nfs/dbraw/zinc/74/46/84/685744684.db2.gz CLDHZNTUAQNHOA-OLZOCXBDSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3cncn3)CCCO2)C1=O ZINC001078505493 685744960 /nfs/dbraw/zinc/74/49/60/685744960.db2.gz CLDHZNTUAQNHOA-QWHCGFSZSA-N 1 0 336.396 -1.284 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3cncn3)CCCO2)C1=O ZINC001078505494 685744850 /nfs/dbraw/zinc/74/48/50/685744850.db2.gz CLDHZNTUAQNHOA-STQMWFEESA-N 1 0 336.396 -1.284 20 0 EAADRO O=C(Cn1ccccc1=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078505757 685744710 /nfs/dbraw/zinc/74/47/10/685744710.db2.gz JZDGQLMZUOTSNY-KBPBESRZSA-N 1 0 348.403 -1.056 20 0 EAADRO O=C(Cn1ccccc1=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078505758 685744749 /nfs/dbraw/zinc/74/47/49/685744749.db2.gz JZDGQLMZUOTSNY-KGLIPLIRSA-N 1 0 348.403 -1.056 20 0 EAADRO O=C(Cn1ccccc1=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078505759 685744888 /nfs/dbraw/zinc/74/48/88/685744888.db2.gz JZDGQLMZUOTSNY-UONOGXRCSA-N 1 0 348.403 -1.056 20 0 EAADRO O=C(Cn1ccccc1=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078505760 685744897 /nfs/dbraw/zinc/74/48/97/685744897.db2.gz JZDGQLMZUOTSNY-ZIAGYGMSSA-N 1 0 348.403 -1.056 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCCO2)n1 ZINC001078508187 685744848 /nfs/dbraw/zinc/74/48/48/685744848.db2.gz MGOHPDZEODSSCE-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCCO2)n1 ZINC001078508188 685745048 /nfs/dbraw/zinc/74/50/48/685745048.db2.gz MGOHPDZEODSSCE-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCCO2)n1 ZINC001078508189 685744704 /nfs/dbraw/zinc/74/47/04/685744704.db2.gz MGOHPDZEODSSCE-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCCO2)n1 ZINC001078508190 685744732 /nfs/dbraw/zinc/74/47/32/685744732.db2.gz MGOHPDZEODSSCE-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508362 685745581 /nfs/dbraw/zinc/74/55/81/685745581.db2.gz NIJMVKWMXQWZJO-CHWSQXEVSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508363 685745978 /nfs/dbraw/zinc/74/59/78/685745978.db2.gz NIJMVKWMXQWZJO-OLZOCXBDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508364 685745778 /nfs/dbraw/zinc/74/57/78/685745778.db2.gz NIJMVKWMXQWZJO-QWHCGFSZSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508365 685745563 /nfs/dbraw/zinc/74/55/63/685745563.db2.gz NIJMVKWMXQWZJO-STQMWFEESA-N 1 0 337.428 -1.131 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)c[nH]1 ZINC001078508428 685745575 /nfs/dbraw/zinc/74/55/75/685745575.db2.gz PDWJVOVEKPKPSH-NEPJUHHUSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c[nH]1 ZINC001078508429 685745624 /nfs/dbraw/zinc/74/56/24/685745624.db2.gz PDWJVOVEKPKPSH-NWDGAFQWSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c[nH]1 ZINC001078508430 685745490 /nfs/dbraw/zinc/74/54/90/685745490.db2.gz PDWJVOVEKPKPSH-RYUDHWBXSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)c1cc(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c[nH]1 ZINC001078508431 685745540 /nfs/dbraw/zinc/74/55/40/685745540.db2.gz PDWJVOVEKPKPSH-VXGBXAGGSA-N 1 0 349.391 -1.177 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC3CC3)C2)nn1 ZINC001078511350 685745503 /nfs/dbraw/zinc/74/55/03/685745503.db2.gz PZPVVEMIHQJLAI-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC3CC3)C2)nn1 ZINC001078511351 685746122 /nfs/dbraw/zinc/74/61/22/685746122.db2.gz PZPVVEMIHQJLAI-LBPRGKRZSA-N 1 0 336.396 -1.006 20 0 EAADRO O=C(Cn1ccnc1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078514800 685745917 /nfs/dbraw/zinc/74/59/17/685745917.db2.gz YNEZOJXRNRVXTB-CHWSQXEVSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(Cn1ccnc1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078514801 685746084 /nfs/dbraw/zinc/74/60/84/685746084.db2.gz YNEZOJXRNRVXTB-OLZOCXBDSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(Cn1ccnc1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078514802 685745385 /nfs/dbraw/zinc/74/53/85/685745385.db2.gz YNEZOJXRNRVXTB-QWHCGFSZSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(Cn1ccnc1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078514803 685745610 /nfs/dbraw/zinc/74/56/10/685745610.db2.gz YNEZOJXRNRVXTB-STQMWFEESA-N 1 0 349.391 -1.105 20 0 EAADRO C[C@H](COCC(=O)NCC[C@H](C)NC(=O)C(N)=O)[NH+]1CCCC1 ZINC001078515140 685745024 /nfs/dbraw/zinc/74/50/24/685745024.db2.gz LTFTZCRTMRKIBN-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H](CCNC(=O)COC[C@H](C)[NH+]1CCCC1)NC(=O)C(N)=O ZINC001078515141 685744678 /nfs/dbraw/zinc/74/46/78/685744678.db2.gz LTFTZCRTMRKIBN-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)Cn3cnnn3)C23CCC3)nc1=O ZINC001078547614 685745657 /nfs/dbraw/zinc/74/56/57/685745657.db2.gz BPTCKRMPJHAJBE-NXEZZACHSA-N 1 0 347.383 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cnnn3)C23CCC3)nc1=O ZINC001078547615 685745865 /nfs/dbraw/zinc/74/58/65/685745865.db2.gz BPTCKRMPJHAJBE-UWVGGRQHSA-N 1 0 347.383 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnnn3)C23CCC3)nc1=O ZINC001078547616 685745367 /nfs/dbraw/zinc/74/53/67/685745367.db2.gz BPTCKRMPJHAJBE-VHSXEESVSA-N 1 0 347.383 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)Cn3cnnn3)C23CCC3)nc1=O ZINC001078547617 685745892 /nfs/dbraw/zinc/74/58/92/685745892.db2.gz BPTCKRMPJHAJBE-ZJUUUORDSA-N 1 0 347.383 -1.688 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001078547658 685745399 /nfs/dbraw/zinc/74/53/99/685745399.db2.gz CLKFHMMOVCQXBH-NXEZZACHSA-N 1 0 332.372 -1.586 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001078547659 685745883 /nfs/dbraw/zinc/74/58/83/685745883.db2.gz CLKFHMMOVCQXBH-UWVGGRQHSA-N 1 0 332.372 -1.586 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001078547660 685746054 /nfs/dbraw/zinc/74/60/54/685746054.db2.gz CLKFHMMOVCQXBH-VHSXEESVSA-N 1 0 332.372 -1.586 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001078547661 685746006 /nfs/dbraw/zinc/74/60/06/685746006.db2.gz CLKFHMMOVCQXBH-ZJUUUORDSA-N 1 0 332.372 -1.586 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078548126 685746754 /nfs/dbraw/zinc/74/67/54/685746754.db2.gz JSZMJTVJFKMITG-NEPJUHHUSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078548127 685746820 /nfs/dbraw/zinc/74/68/20/685746820.db2.gz JSZMJTVJFKMITG-NWDGAFQWSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078548128 685746779 /nfs/dbraw/zinc/74/67/79/685746779.db2.gz JSZMJTVJFKMITG-RYUDHWBXSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078548129 685746509 /nfs/dbraw/zinc/74/65/09/685746509.db2.gz JSZMJTVJFKMITG-VXGBXAGGSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001078548754 685746750 /nfs/dbraw/zinc/74/67/50/685746750.db2.gz UXJMVFVFAKLCRN-NEPJUHHUSA-N 1 0 348.411 -1.285 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001078548755 685746669 /nfs/dbraw/zinc/74/66/69/685746669.db2.gz UXJMVFVFAKLCRN-NWDGAFQWSA-N 1 0 348.411 -1.285 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001078548756 685746499 /nfs/dbraw/zinc/74/64/99/685746499.db2.gz UXJMVFVFAKLCRN-RYUDHWBXSA-N 1 0 348.411 -1.285 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001078548757 685746662 /nfs/dbraw/zinc/74/66/62/685746662.db2.gz UXJMVFVFAKLCRN-VXGBXAGGSA-N 1 0 348.411 -1.285 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078548990 685746600 /nfs/dbraw/zinc/74/66/00/685746600.db2.gz YPGJDXMVAFGLHG-NEPJUHHUSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078548991 685746776 /nfs/dbraw/zinc/74/67/76/685746776.db2.gz YPGJDXMVAFGLHG-NWDGAFQWSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078548992 685746816 /nfs/dbraw/zinc/74/68/16/685746816.db2.gz YPGJDXMVAFGLHG-RYUDHWBXSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078548993 685746811 /nfs/dbraw/zinc/74/68/11/685746811.db2.gz YPGJDXMVAFGLHG-VXGBXAGGSA-N 1 0 333.396 -1.078 20 0 EAADRO C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)COCC[NH+](C)C ZINC001078570583 685747199 /nfs/dbraw/zinc/74/71/99/685747199.db2.gz RQGTXVPBEUCOKD-LBPRGKRZSA-N 1 0 326.401 -1.133 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CNC1=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001078579564 685747862 /nfs/dbraw/zinc/74/78/62/685747862.db2.gz CVNPHTQCBKNJHM-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001078579565 685747883 /nfs/dbraw/zinc/74/78/83/685747883.db2.gz CVNPHTQCBKNJHM-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001078581716 685748587 /nfs/dbraw/zinc/74/85/87/685748587.db2.gz CIZTWUNZXMOGGJ-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CNC1=O)NC(=O)CCC[NH+](C)C ZINC001078581762 685748490 /nfs/dbraw/zinc/74/84/90/685748490.db2.gz DRYIJQUJYCPBFB-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CNC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001078581835 685748541 /nfs/dbraw/zinc/74/85/41/685748541.db2.gz IEMPLGXDGSHAGV-QWRGUYRKSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001078581836 685748617 /nfs/dbraw/zinc/74/86/17/685748617.db2.gz IEMPLGXDGSHAGV-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001078581838 685748669 /nfs/dbraw/zinc/74/86/69/685748669.db2.gz IIUDXLIMNMUBOJ-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001078581867 685748725 /nfs/dbraw/zinc/74/87/25/685748725.db2.gz JMJHRHBWGHBLLL-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001078581894 685748654 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/nfs/dbraw/zinc/75/14/49/685751449.db2.gz DWUPEXGBYZXMND-NXEZZACHSA-N 1 0 332.372 -1.586 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001078623578 685751296 /nfs/dbraw/zinc/75/12/96/685751296.db2.gz DWUPEXGBYZXMND-UWVGGRQHSA-N 1 0 332.372 -1.586 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001078623579 685751586 /nfs/dbraw/zinc/75/15/86/685751586.db2.gz DWUPEXGBYZXMND-VHSXEESVSA-N 1 0 332.372 -1.586 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001078623580 685751349 /nfs/dbraw/zinc/75/13/49/685751349.db2.gz DWUPEXGBYZXMND-ZJUUUORDSA-N 1 0 332.372 -1.586 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)Cn3ncnn3)C23CCC3)nc1=O ZINC001078624009 685751432 /nfs/dbraw/zinc/75/14/32/685751432.db2.gz KWPJISJZCWJMNC-NXEZZACHSA-N 1 0 347.383 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncnn3)C23CCC3)nc1=O ZINC001078624010 685751308 /nfs/dbraw/zinc/75/13/08/685751308.db2.gz KWPJISJZCWJMNC-UWVGGRQHSA-N 1 0 347.383 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncnn3)C23CCC3)nc1=O ZINC001078624011 685751492 /nfs/dbraw/zinc/75/14/92/685751492.db2.gz KWPJISJZCWJMNC-VHSXEESVSA-N 1 0 347.383 -1.688 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)Cn3ncnn3)C23CCC3)nc1=O ZINC001078624012 685751199 /nfs/dbraw/zinc/75/11/99/685751199.db2.gz KWPJISJZCWJMNC-ZJUUUORDSA-N 1 0 347.383 -1.688 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078624349 685751537 /nfs/dbraw/zinc/75/15/37/685751537.db2.gz QGBQUSSPLOJUAI-NEPJUHHUSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078624350 685751617 /nfs/dbraw/zinc/75/16/17/685751617.db2.gz QGBQUSSPLOJUAI-NWDGAFQWSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078624351 685751612 /nfs/dbraw/zinc/75/16/12/685751612.db2.gz QGBQUSSPLOJUAI-RYUDHWBXSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C12CCC2 ZINC001078624352 685751473 /nfs/dbraw/zinc/75/14/73/685751473.db2.gz QGBQUSSPLOJUAI-VXGBXAGGSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078626548 685750638 /nfs/dbraw/zinc/75/06/38/685750638.db2.gz RYKQYQIEOHKUHW-NEPJUHHUSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[C@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078626549 685750697 /nfs/dbraw/zinc/75/06/97/685750697.db2.gz RYKQYQIEOHKUHW-NWDGAFQWSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078626550 685750570 /nfs/dbraw/zinc/75/05/70/685750570.db2.gz RYKQYQIEOHKUHW-RYUDHWBXSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[C@@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078626552 685750826 /nfs/dbraw/zinc/75/08/26/685750826.db2.gz RYKQYQIEOHKUHW-VXGBXAGGSA-N 1 0 331.384 -1.018 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001078626671 685750643 /nfs/dbraw/zinc/75/06/43/685750643.db2.gz SZLXPGNIUYTCHL-NEPJUHHUSA-N 1 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NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 ZINC001078628529 685750670 /nfs/dbraw/zinc/75/06/70/685750670.db2.gz DOUCNUKNXXYLQW-IUCAKERBSA-N 1 0 335.368 -2.121 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 ZINC001078628531 685750563 /nfs/dbraw/zinc/75/05/63/685750563.db2.gz DOUCNUKNXXYLQW-RKDXNWHRSA-N 1 0 335.368 -2.121 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)Cn3nccn3)C23CCC3)nc1=O ZINC001078636804 685750513 /nfs/dbraw/zinc/75/05/13/685750513.db2.gz DUZIDSZXYBWWCA-GHMZBOCLSA-N 1 0 346.395 -1.083 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)Cn3nccn3)C23CCC3)nc1=O ZINC001078636805 685750817 /nfs/dbraw/zinc/75/08/17/685750817.db2.gz DUZIDSZXYBWWCA-MNOVXSKESA-N 1 0 346.395 -1.083 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)Cn3nccn3)C23CCC3)nc1=O ZINC001078636806 685750787 /nfs/dbraw/zinc/75/07/87/685750787.db2.gz DUZIDSZXYBWWCA-QWRGUYRKSA-N 1 0 346.395 -1.083 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3nccn3)C23CCC3)nc1=O ZINC001078636807 685750929 /nfs/dbraw/zinc/75/09/29/685750929.db2.gz DUZIDSZXYBWWCA-WDEREUQCSA-N 1 0 346.395 -1.083 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078638969 685751463 /nfs/dbraw/zinc/75/14/63/685751463.db2.gz AFOQEFOCFAPZQA-GHMZBOCLSA-N 1 0 349.391 -1.951 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078638970 685751481 /nfs/dbraw/zinc/75/14/81/685751481.db2.gz AFOQEFOCFAPZQA-MNOVXSKESA-N 1 0 349.391 -1.951 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078638971 685751368 /nfs/dbraw/zinc/75/13/68/685751368.db2.gz AFOQEFOCFAPZQA-QWRGUYRKSA-N 1 0 349.391 -1.951 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078638972 685751604 /nfs/dbraw/zinc/75/16/04/685751604.db2.gz AFOQEFOCFAPZQA-WDEREUQCSA-N 1 0 349.391 -1.951 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C23CCC3)c1=O ZINC001078639277 685751566 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344.437 -1.476 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C12CCC2 ZINC001078642420 685751235 /nfs/dbraw/zinc/75/12/35/685751235.db2.gz PTMOYSHSPNRTSJ-QWRGUYRKSA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C12CCC2 ZINC001078642421 685751359 /nfs/dbraw/zinc/75/13/59/685751359.db2.gz PTMOYSHSPNRTSJ-WDEREUQCSA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 ZINC001078663560 685752347 /nfs/dbraw/zinc/75/23/47/685752347.db2.gz OZIIDSMBAALFPM-GHMZBOCLSA-N 1 0 329.422 -1.077 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 ZINC001078663561 685751935 /nfs/dbraw/zinc/75/19/35/685751935.db2.gz OZIIDSMBAALFPM-MNOVXSKESA-N 1 0 329.422 -1.077 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 ZINC001078663562 685752257 /nfs/dbraw/zinc/75/22/57/685752257.db2.gz OZIIDSMBAALFPM-QWRGUYRKSA-N 1 0 329.422 -1.077 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 ZINC001078663563 685751802 /nfs/dbraw/zinc/75/18/02/685751802.db2.gz OZIIDSMBAALFPM-WDEREUQCSA-N 1 0 329.422 -1.077 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)CC1=O ZINC001078663744 685751993 /nfs/dbraw/zinc/75/19/93/685751993.db2.gz SSMKMPRWGGVEKQ-NEPJUHHUSA-N 1 0 337.424 -1.737 20 0 EAADRO CN1CCN(CC(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)CC1=O ZINC001078663745 685752326 /nfs/dbraw/zinc/75/23/26/685752326.db2.gz SSMKMPRWGGVEKQ-NWDGAFQWSA-N 1 0 337.424 -1.737 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)CC1=O ZINC001078663746 685752273 /nfs/dbraw/zinc/75/22/73/685752273.db2.gz SSMKMPRWGGVEKQ-RYUDHWBXSA-N 1 0 337.424 -1.737 20 0 EAADRO CN1CCN(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)CC1=O ZINC001078663747 685752088 /nfs/dbraw/zinc/75/20/88/685752088.db2.gz SSMKMPRWGGVEKQ-VXGBXAGGSA-N 1 0 337.424 -1.737 20 0 EAADRO O=C(N[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1cn[nH]n1 ZINC001078667709 685752102 /nfs/dbraw/zinc/75/21/02/685752102.db2.gz IMYMJECCZWIUIB-GHMZBOCLSA-N 1 0 347.379 -1.013 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1cn[nH]n1 ZINC001078667710 685752302 /nfs/dbraw/zinc/75/23/02/685752302.db2.gz IMYMJECCZWIUIB-MNOVXSKESA-N 1 0 347.379 -1.013 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1cn[nH]n1 ZINC001078667711 685752218 /nfs/dbraw/zinc/75/22/18/685752218.db2.gz IMYMJECCZWIUIB-QWRGUYRKSA-N 1 0 347.379 -1.013 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1cn[nH]n1 ZINC001078667712 685751869 /nfs/dbraw/zinc/75/18/69/685751869.db2.gz IMYMJECCZWIUIB-WDEREUQCSA-N 1 0 347.379 -1.013 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C12CCC2 ZINC001078672582 685752143 /nfs/dbraw/zinc/75/21/43/685752143.db2.gz CDDRTVYECHVYIN-NXEZZACHSA-N 1 0 335.364 -1.549 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C12CCC2 ZINC001078672583 685751880 /nfs/dbraw/zinc/75/18/80/685751880.db2.gz CDDRTVYECHVYIN-UWVGGRQHSA-N 1 0 335.364 -1.549 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C12CCC2 ZINC001078672584 685752193 /nfs/dbraw/zinc/75/21/93/685752193.db2.gz CDDRTVYECHVYIN-VHSXEESVSA-N 1 0 335.364 -1.549 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C12CCC2 ZINC001078672585 685752017 /nfs/dbraw/zinc/75/20/17/685752017.db2.gz CDDRTVYECHVYIN-ZJUUUORDSA-N 1 0 335.364 -1.549 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C23CCC3)n1 ZINC001078697562 685752030 /nfs/dbraw/zinc/75/20/30/685752030.db2.gz DOXCPLBWIHNBBR-BDAKNGLRSA-N 1 0 347.383 -1.537 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C23CCC3)n1 ZINC001078697566 685752241 /nfs/dbraw/zinc/75/22/41/685752241.db2.gz DOXCPLBWIHNBBR-DTWKUNHWSA-N 1 0 347.383 -1.537 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C23CCC3)n1 ZINC001078697567 685752119 /nfs/dbraw/zinc/75/21/19/685752119.db2.gz DOXCPLBWIHNBBR-IUCAKERBSA-N 1 0 347.383 -1.537 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C23CCC3)n1 ZINC001078697569 685751815 /nfs/dbraw/zinc/75/18/15/685751815.db2.gz DOXCPLBWIHNBBR-RKDXNWHRSA-N 1 0 347.383 -1.537 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C23CCC3)n1 ZINC001078698553 685752213 /nfs/dbraw/zinc/75/22/13/685752213.db2.gz RINBNCSPVBABBE-GHMZBOCLSA-N 1 0 348.411 -1.134 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C23CCC3)n1 ZINC001078698554 685752185 /nfs/dbraw/zinc/75/21/85/685752185.db2.gz RINBNCSPVBABBE-MNOVXSKESA-N 1 0 348.411 -1.134 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C23CCC3)n1 ZINC001078698555 685751832 /nfs/dbraw/zinc/75/18/32/685751832.db2.gz RINBNCSPVBABBE-QWRGUYRKSA-N 1 0 348.411 -1.134 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2C[C@H]([NH2+]CCN3CCNC3=O)C23CCC3)n1 ZINC001078698556 685752314 /nfs/dbraw/zinc/75/23/14/685752314.db2.gz RINBNCSPVBABBE-WDEREUQCSA-N 1 0 348.411 -1.134 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C23CCC3)n1 ZINC001078698641 685751888 /nfs/dbraw/zinc/75/18/88/685751888.db2.gz SSKVILPOLUJZGW-BDAKNGLRSA-N 1 0 332.372 -1.436 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3nnnn3C)C23CCC3)n1 ZINC001078698642 685751919 /nfs/dbraw/zinc/75/19/19/685751919.db2.gz SSKVILPOLUJZGW-DTWKUNHWSA-N 1 0 332.372 -1.436 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C23CCC3)n1 ZINC001078698643 685752164 /nfs/dbraw/zinc/75/21/64/685752164.db2.gz SSKVILPOLUJZGW-IUCAKERBSA-N 1 0 332.372 -1.436 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3nnnn3C)C23CCC3)n1 ZINC001078698644 685752290 /nfs/dbraw/zinc/75/22/90/685752290.db2.gz SSKVILPOLUJZGW-RKDXNWHRSA-N 1 0 332.372 -1.436 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078698989 685752297 /nfs/dbraw/zinc/75/22/97/685752297.db2.gz YTBCCQNGOCSKPP-NXEZZACHSA-N 1 0 335.364 -1.398 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078698990 685752312 /nfs/dbraw/zinc/75/23/12/685752312.db2.gz YTBCCQNGOCSKPP-UWVGGRQHSA-N 1 0 335.364 -1.398 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078698991 685752279 /nfs/dbraw/zinc/75/22/79/685752279.db2.gz YTBCCQNGOCSKPP-VHSXEESVSA-N 1 0 335.364 -1.398 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001078698992 685752196 /nfs/dbraw/zinc/75/21/96/685752196.db2.gz YTBCCQNGOCSKPP-ZJUUUORDSA-N 1 0 335.364 -1.398 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C12CCC2 ZINC001078712813 685752814 /nfs/dbraw/zinc/75/28/14/685752814.db2.gz HUBFLIHICNIJTC-GHMZBOCLSA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C12CCC2 ZINC001078712814 685753167 /nfs/dbraw/zinc/75/31/67/685753167.db2.gz HUBFLIHICNIJTC-MNOVXSKESA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C12CCC2 ZINC001078712815 685752775 /nfs/dbraw/zinc/75/27/75/685752775.db2.gz HUBFLIHICNIJTC-QWRGUYRKSA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C12CCC2 ZINC001078712816 685752649 /nfs/dbraw/zinc/75/26/49/685752649.db2.gz HUBFLIHICNIJTC-WDEREUQCSA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001078713449 685752742 /nfs/dbraw/zinc/75/27/42/685752742.db2.gz PGVRSVVFBSMBLU-NXEZZACHSA-N 1 0 337.380 -2.553 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001078713450 685752683 /nfs/dbraw/zinc/75/26/83/685752683.db2.gz PGVRSVVFBSMBLU-UWVGGRQHSA-N 1 0 337.380 -2.553 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001078713451 685752995 /nfs/dbraw/zinc/75/29/95/685752995.db2.gz PGVRSVVFBSMBLU-VHSXEESVSA-N 1 0 337.380 -2.553 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001078713452 685752910 /nfs/dbraw/zinc/75/29/10/685752910.db2.gz PGVRSVVFBSMBLU-ZJUUUORDSA-N 1 0 337.380 -2.553 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C12CCC2 ZINC001078714293 685752608 /nfs/dbraw/zinc/75/26/08/685752608.db2.gz XFOAKSNTYDKNEE-NXEZZACHSA-N 1 0 334.380 -1.189 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C12CCC2 ZINC001078714294 685752820 /nfs/dbraw/zinc/75/28/20/685752820.db2.gz XFOAKSNTYDKNEE-UWVGGRQHSA-N 1 0 334.380 -1.189 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C12CCC2 ZINC001078714295 685753180 /nfs/dbraw/zinc/75/31/80/685753180.db2.gz XFOAKSNTYDKNEE-VHSXEESVSA-N 1 0 334.380 -1.189 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C12CCC2 ZINC001078714296 685753010 /nfs/dbraw/zinc/75/30/10/685753010.db2.gz XFOAKSNTYDKNEE-ZJUUUORDSA-N 1 0 334.380 -1.189 20 0 EAADRO Cn1c(C[NH2+][C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)cc(=O)n(C)c1=O ZINC001078715420 685753132 /nfs/dbraw/zinc/75/31/32/685753132.db2.gz DLNSOUTZFOJFKP-GHMZBOCLSA-N 1 0 349.391 -1.914 20 0 EAADRO Cn1c(C[NH2+][C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)cc(=O)n(C)c1=O ZINC001078715421 685752643 /nfs/dbraw/zinc/75/26/43/685752643.db2.gz DLNSOUTZFOJFKP-MNOVXSKESA-N 1 0 349.391 -1.914 20 0 EAADRO Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)cc(=O)n(C)c1=O ZINC001078715422 685752878 /nfs/dbraw/zinc/75/28/78/685752878.db2.gz DLNSOUTZFOJFKP-QWRGUYRKSA-N 1 0 349.391 -1.914 20 0 EAADRO Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)cc(=O)n(C)c1=O ZINC001078715423 685753262 /nfs/dbraw/zinc/75/32/62/685753262.db2.gz DLNSOUTZFOJFKP-WDEREUQCSA-N 1 0 349.391 -1.914 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078723016 685752630 /nfs/dbraw/zinc/75/26/30/685752630.db2.gz RWDYOHCHJRPAKP-NXEZZACHSA-N 1 0 343.409 -1.320 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078723017 685753066 /nfs/dbraw/zinc/75/30/66/685753066.db2.gz RWDYOHCHJRPAKP-UWVGGRQHSA-N 1 0 343.409 -1.320 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078723018 685752587 /nfs/dbraw/zinc/75/25/87/685752587.db2.gz RWDYOHCHJRPAKP-VHSXEESVSA-N 1 0 343.409 -1.320 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078723019 685752639 /nfs/dbraw/zinc/75/26/39/685752639.db2.gz RWDYOHCHJRPAKP-ZJUUUORDSA-N 1 0 343.409 -1.320 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H]([NH2+]CCO)C23CCC3)C1=O ZINC001078736654 685752046 /nfs/dbraw/zinc/75/20/46/685752046.db2.gz MXEAJOJBPOKCOK-NXEZZACHSA-N 1 0 338.364 -1.584 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C23CCC3)C1=O ZINC001078736655 685752309 /nfs/dbraw/zinc/75/23/09/685752309.db2.gz MXEAJOJBPOKCOK-UWVGGRQHSA-N 1 0 338.364 -1.584 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]([NH2+]CCO)C23CCC3)C1=O ZINC001078736656 685751841 /nfs/dbraw/zinc/75/18/41/685751841.db2.gz MXEAJOJBPOKCOK-VHSXEESVSA-N 1 0 338.364 -1.584 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C23CCC3)C1=O ZINC001078736657 685752677 /nfs/dbraw/zinc/75/26/77/685752677.db2.gz MXEAJOJBPOKCOK-ZJUUUORDSA-N 1 0 338.364 -1.584 20 0 EAADRO C[C@@H](CCNC(=O)[C@H](C)NS(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001078738097 685753549 /nfs/dbraw/zinc/75/35/49/685753549.db2.gz VPDCCCZYBBASDT-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001078738098 685753919 /nfs/dbraw/zinc/75/39/19/685753919.db2.gz VPDCCCZYBBASDT-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078738458 685753737 /nfs/dbraw/zinc/75/37/37/685753737.db2.gz DMWNVICHWQGONW-CHWSQXEVSA-N 1 0 346.391 -1.100 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078738459 685753444 /nfs/dbraw/zinc/75/34/44/685753444.db2.gz DMWNVICHWQGONW-OLZOCXBDSA-N 1 0 346.391 -1.100 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078738460 685753681 /nfs/dbraw/zinc/75/36/81/685753681.db2.gz DMWNVICHWQGONW-QWHCGFSZSA-N 1 0 346.391 -1.100 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078738461 685753866 /nfs/dbraw/zinc/75/38/66/685753866.db2.gz DMWNVICHWQGONW-STQMWFEESA-N 1 0 346.391 -1.100 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C23CCC3)c(=O)n(C)c1=O ZINC001078739561 685754795 /nfs/dbraw/zinc/75/47/95/685754795.db2.gz PNEZPJXDSHRHFR-NEPJUHHUSA-N 1 0 336.392 -1.293 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]CCO)C23CCC3)c(=O)n(C)c1=O ZINC001078739564 685754658 /nfs/dbraw/zinc/75/46/58/685754658.db2.gz PNEZPJXDSHRHFR-NWDGAFQWSA-N 1 0 336.392 -1.293 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C23CCC3)c(=O)n(C)c1=O ZINC001078739566 685754361 /nfs/dbraw/zinc/75/43/61/685754361.db2.gz PNEZPJXDSHRHFR-RYUDHWBXSA-N 1 0 336.392 -1.293 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]CCO)C23CCC3)c(=O)n(C)c1=O ZINC001078739567 685754642 /nfs/dbraw/zinc/75/46/42/685754642.db2.gz PNEZPJXDSHRHFR-VXGBXAGGSA-N 1 0 336.392 -1.293 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n(C)c1=O ZINC001078739999 685754710 /nfs/dbraw/zinc/75/47/10/685754710.db2.gz SRAPYAVKIDYUMJ-GHMZBOCLSA-N 1 0 349.391 -1.800 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n(C)c1=O ZINC001078740000 685754503 /nfs/dbraw/zinc/75/45/03/685754503.db2.gz SRAPYAVKIDYUMJ-MNOVXSKESA-N 1 0 349.391 -1.800 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n(C)c1=O ZINC001078740001 685754410 /nfs/dbraw/zinc/75/44/10/685754410.db2.gz SRAPYAVKIDYUMJ-QWRGUYRKSA-N 1 0 349.391 -1.800 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n(C)c1=O ZINC001078740004 685754508 /nfs/dbraw/zinc/75/45/08/685754508.db2.gz SRAPYAVKIDYUMJ-WDEREUQCSA-N 1 0 349.391 -1.800 20 0 EAADRO O=C(N[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1nnc[nH]1 ZINC001078755550 685752861 /nfs/dbraw/zinc/75/28/61/685752861.db2.gz ZVDVYVHILZLABK-NXEZZACHSA-N 1 0 347.379 -1.013 20 0 EAADRO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1nnc[nH]1 ZINC001078755551 685752787 /nfs/dbraw/zinc/75/27/87/685752787.db2.gz ZVDVYVHILZLABK-UWVGGRQHSA-N 1 0 347.379 -1.013 20 0 EAADRO O=C(N[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1nnc[nH]1 ZINC001078755552 685753109 /nfs/dbraw/zinc/75/31/09/685753109.db2.gz ZVDVYVHILZLABK-VHSXEESVSA-N 1 0 347.379 -1.013 20 0 EAADRO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2)c1nnc[nH]1 ZINC001078755553 685753295 /nfs/dbraw/zinc/75/32/95/685753295.db2.gz ZVDVYVHILZLABK-ZJUUUORDSA-N 1 0 347.379 -1.013 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 ZINC001078773761 685754264 /nfs/dbraw/zinc/75/42/64/685754264.db2.gz NIGFMZKCUYRHAZ-NXEZZACHSA-N 1 0 337.380 -1.569 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 ZINC001078773762 685754816 /nfs/dbraw/zinc/75/48/16/685754816.db2.gz NIGFMZKCUYRHAZ-UWVGGRQHSA-N 1 0 337.380 -1.569 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 ZINC001078773763 685754270 /nfs/dbraw/zinc/75/42/70/685754270.db2.gz NIGFMZKCUYRHAZ-VHSXEESVSA-N 1 0 337.380 -1.569 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 ZINC001078773764 685754615 /nfs/dbraw/zinc/75/46/15/685754615.db2.gz NIGFMZKCUYRHAZ-ZJUUUORDSA-N 1 0 337.380 -1.569 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078783813 685754699 /nfs/dbraw/zinc/75/46/99/685754699.db2.gz OJAWOQKPJUYNPM-NXEZZACHSA-N 1 0 337.380 -1.617 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078783814 685754246 /nfs/dbraw/zinc/75/42/46/685754246.db2.gz OJAWOQKPJUYNPM-UWVGGRQHSA-N 1 0 337.380 -1.617 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078783815 685754666 /nfs/dbraw/zinc/75/46/66/685754666.db2.gz OJAWOQKPJUYNPM-VHSXEESVSA-N 1 0 337.380 -1.617 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078783816 685754755 /nfs/dbraw/zinc/75/47/55/685754755.db2.gz OJAWOQKPJUYNPM-ZJUUUORDSA-N 1 0 337.380 -1.617 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C12CCC2 ZINC001078784773 685754467 /nfs/dbraw/zinc/75/44/67/685754467.db2.gz VGVNHBRTKOMDKE-NXEZZACHSA-N 1 0 345.363 -1.467 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C12CCC2 ZINC001078784777 685754416 /nfs/dbraw/zinc/75/44/16/685754416.db2.gz VGVNHBRTKOMDKE-UWVGGRQHSA-N 1 0 345.363 -1.467 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C12CCC2 ZINC001078784780 685754254 /nfs/dbraw/zinc/75/42/54/685754254.db2.gz VGVNHBRTKOMDKE-VHSXEESVSA-N 1 0 345.363 -1.467 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C12CCC2 ZINC001078784782 685754542 /nfs/dbraw/zinc/75/45/42/685754542.db2.gz VGVNHBRTKOMDKE-ZJUUUORDSA-N 1 0 345.363 -1.467 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n1C ZINC001078799237 685754231 /nfs/dbraw/zinc/75/42/31/685754231.db2.gz YDDNCDTYISTDNT-GHMZBOCLSA-N 1 0 336.396 -1.607 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n1C ZINC001078799238 685754604 /nfs/dbraw/zinc/75/46/04/685754604.db2.gz YDDNCDTYISTDNT-MNOVXSKESA-N 1 0 336.396 -1.607 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n1C ZINC001078799239 685754763 /nfs/dbraw/zinc/75/47/63/685754763.db2.gz YDDNCDTYISTDNT-QWRGUYRKSA-N 1 0 336.396 -1.607 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c(=O)n1C ZINC001078799240 685754716 /nfs/dbraw/zinc/75/47/16/685754716.db2.gz YDDNCDTYISTDNT-WDEREUQCSA-N 1 0 336.396 -1.607 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001078802477 685754872 /nfs/dbraw/zinc/75/48/72/685754872.db2.gz DDVKANZMHQQPQA-BDAKNGLRSA-N 1 0 332.364 -1.309 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001078802478 685754712 /nfs/dbraw/zinc/75/47/12/685754712.db2.gz DDVKANZMHQQPQA-DTWKUNHWSA-N 1 0 332.364 -1.309 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001078802479 685754560 /nfs/dbraw/zinc/75/45/60/685754560.db2.gz DDVKANZMHQQPQA-IUCAKERBSA-N 1 0 332.364 -1.309 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001078802480 685754494 /nfs/dbraw/zinc/75/44/94/685754494.db2.gz DDVKANZMHQQPQA-RKDXNWHRSA-N 1 0 332.364 -1.309 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078804521 685755293 /nfs/dbraw/zinc/75/52/93/685755293.db2.gz WCUZECIGWLMYOL-NXEZZACHSA-N 1 0 337.380 -1.617 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078804522 685755384 /nfs/dbraw/zinc/75/53/84/685755384.db2.gz WCUZECIGWLMYOL-UWVGGRQHSA-N 1 0 337.380 -1.617 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078804523 685755130 /nfs/dbraw/zinc/75/51/30/685755130.db2.gz WCUZECIGWLMYOL-VHSXEESVSA-N 1 0 337.380 -1.617 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)C1=O ZINC001078804524 685755421 /nfs/dbraw/zinc/75/54/21/685755421.db2.gz WCUZECIGWLMYOL-ZJUUUORDSA-N 1 0 337.380 -1.617 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c(=O)[nH]c1=O ZINC001078806533 685755190 /nfs/dbraw/zinc/75/51/90/685755190.db2.gz OVJAFJWGXZCNRF-NXEZZACHSA-N 1 0 335.364 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c(=O)[nH]c1=O ZINC001078806534 685755412 /nfs/dbraw/zinc/75/54/12/685755412.db2.gz OVJAFJWGXZCNRF-UWVGGRQHSA-N 1 0 335.364 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c(=O)[nH]c1=O ZINC001078806535 685755368 /nfs/dbraw/zinc/75/53/68/685755368.db2.gz OVJAFJWGXZCNRF-VHSXEESVSA-N 1 0 335.364 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c(=O)[nH]c1=O ZINC001078806536 685755074 /nfs/dbraw/zinc/75/50/74/685755074.db2.gz OVJAFJWGXZCNRF-ZJUUUORDSA-N 1 0 335.364 -1.398 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078809509 685755305 /nfs/dbraw/zinc/75/53/05/685755305.db2.gz JFUDRGPNNRFHTQ-CHWSQXEVSA-N 1 0 345.465 -1.274 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078809510 685755120 /nfs/dbraw/zinc/75/51/20/685755120.db2.gz JFUDRGPNNRFHTQ-OLZOCXBDSA-N 1 0 345.465 -1.274 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078809511 685755084 /nfs/dbraw/zinc/75/50/84/685755084.db2.gz JFUDRGPNNRFHTQ-QWHCGFSZSA-N 1 0 345.465 -1.274 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078809512 685755250 /nfs/dbraw/zinc/75/52/50/685755250.db2.gz JFUDRGPNNRFHTQ-STQMWFEESA-N 1 0 345.465 -1.274 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001078818865 685755926 /nfs/dbraw/zinc/75/59/26/685755926.db2.gz DPHHSZXVQWZWRC-NXEZZACHSA-N 1 0 335.368 -2.121 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001078818866 685756039 /nfs/dbraw/zinc/75/60/39/685756039.db2.gz DPHHSZXVQWZWRC-UWVGGRQHSA-N 1 0 335.368 -2.121 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001078818867 685755826 /nfs/dbraw/zinc/75/58/26/685755826.db2.gz DPHHSZXVQWZWRC-VHSXEESVSA-N 1 0 335.368 -2.121 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001078818868 685756008 /nfs/dbraw/zinc/75/60/08/685756008.db2.gz DPHHSZXVQWZWRC-ZJUUUORDSA-N 1 0 335.368 -2.121 20 0 EAADRO CN(C(=O)COCC[NH+](C)C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 ZINC001079009926 685785063 /nfs/dbraw/zinc/78/50/63/685785063.db2.gz ZMCOVVBJSNHEOI-GFCCVEGCSA-N 1 0 328.413 -1.111 20 0 EAADRO CN(C(=O)COCC[NH+](C)C)[C@H]1CCCN(C(=O)C(N)=O)CC1 ZINC001079009927 685784775 /nfs/dbraw/zinc/78/47/75/685784775.db2.gz ZMCOVVBJSNHEOI-LBPRGKRZSA-N 1 0 328.413 -1.111 20 0 EAADRO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001079051594 685792924 /nfs/dbraw/zinc/79/29/24/685792924.db2.gz ARPCIUNQGFAPDV-GFCCVEGCSA-N 1 0 328.413 -1.111 20 0 EAADRO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001079051595 685792856 /nfs/dbraw/zinc/79/28/56/685792856.db2.gz ARPCIUNQGFAPDV-LBPRGKRZSA-N 1 0 328.413 -1.111 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001079141740 685805705 /nfs/dbraw/zinc/80/57/05/685805705.db2.gz VRTUMHYHVQSXND-RBSFLKMASA-N 1 0 348.403 -1.266 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001079141741 685805954 /nfs/dbraw/zinc/80/59/54/685805954.db2.gz VRTUMHYHVQSXND-RRFJBIMHSA-N 1 0 348.403 -1.266 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC001079144571 685805238 /nfs/dbraw/zinc/80/52/38/685805238.db2.gz SBZIQMYXYLBTSP-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO C[NH+](C)CCC(=O)N1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 ZINC001079145501 685804893 /nfs/dbraw/zinc/80/48/93/685804893.db2.gz LFWCIDKIGYMZSU-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO COCC(=O)NCCCCC[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001079155065 685805666 /nfs/dbraw/zinc/80/56/66/685805666.db2.gz KEFGZWHAQYSXRL-UHFFFAOYSA-N 1 0 343.428 -1.268 20 0 EAADRO COCC(=O)NCCCCC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001079155159 685805776 /nfs/dbraw/zinc/80/57/76/685805776.db2.gz OCMVRCUFHDZYNY-UHFFFAOYSA-N 1 0 328.413 -1.061 20 0 EAADRO COCC(=O)N1CC[NH+](CCCCCNC(=O)CNC(N)=O)CC1 ZINC001079156250 685805720 /nfs/dbraw/zinc/80/57/20/685805720.db2.gz MDEBSCSMIYRSGH-UHFFFAOYSA-N 1 0 343.428 -1.268 20 0 EAADRO NC(=O)CC(=O)NCCCCC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001079158395 685805928 /nfs/dbraw/zinc/80/59/28/685805928.db2.gz GVBIPLNEAGPGSZ-UHFFFAOYSA-N 1 0 341.412 -1.832 20 0 EAADRO COCC(=O)N1CC[NH+](CCCCCNC(=O)CC(N)=O)CC1 ZINC001079158787 685806631 /nfs/dbraw/zinc/80/66/31/685806631.db2.gz VPIJGOJBTIFHGZ-UHFFFAOYSA-N 1 0 328.413 -1.061 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCCCC[NH+]1CCN(C(C)=O)CC1 ZINC001079161028 685806734 /nfs/dbraw/zinc/80/67/34/685806734.db2.gz SCWHLJRUCNVHKU-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO NC(=O)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH+](CCO)CC1 ZINC001079163532 685806699 /nfs/dbraw/zinc/80/66/99/685806699.db2.gz GDPRKTCDMGWMHY-NEPJUHHUSA-N 1 0 339.396 -2.077 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH+](CCO)CC1 ZINC001079163533 685806527 /nfs/dbraw/zinc/80/65/27/685806527.db2.gz 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ZINC001079164452 685806907 /nfs/dbraw/zinc/80/69/07/685806907.db2.gz DJOMKVFYWDBWLH-UHFFFAOYSA-N 1 0 328.413 -1.061 20 0 EAADRO CC(=O)NCC(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164467 685806766 /nfs/dbraw/zinc/80/67/66/685806766.db2.gz FIHJLKPPNBULJR-UHFFFAOYSA-N 1 0 341.412 -1.962 20 0 EAADRO NC(=O)CC(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164529 685806857 /nfs/dbraw/zinc/80/68/57/685806857.db2.gz IAEXUHXCKOSRRJ-UHFFFAOYSA-N 1 0 327.385 -2.222 20 0 EAADRO NC(=O)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001079164735 685806379 /nfs/dbraw/zinc/80/63/79/685806379.db2.gz PXMBVAMTYOTRLI-UHFFFAOYSA-N 1 0 336.396 -1.061 20 0 EAADRO CO[C@H](C)C(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164816 685806505 /nfs/dbraw/zinc/80/65/05/685806505.db2.gz SQSFOBSRFVCBOK-GFCCVEGCSA-N 1 0 328.413 -1.063 20 0 EAADRO CO[C@@H](C)C(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164817 685806753 /nfs/dbraw/zinc/80/67/53/685806753.db2.gz SQSFOBSRFVCBOK-LBPRGKRZSA-N 1 0 328.413 -1.063 20 0 EAADRO NC(=O)NCC(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164818 685806650 /nfs/dbraw/zinc/80/66/50/685806650.db2.gz SUIVKODGRZIOFH-UHFFFAOYSA-N 1 0 342.400 -2.429 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164920 685806678 /nfs/dbraw/zinc/80/66/78/685806678.db2.gz XHSGNFNCAIJIEO-CYBMUJFWSA-N 1 0 342.440 -1.081 20 0 EAADRO CNC(=O)CC(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164984 685806542 /nfs/dbraw/zinc/80/65/42/685806542.db2.gz ZMRSQDADEKCOQB-UHFFFAOYSA-N 1 0 341.412 -1.962 20 0 EAADRO C[NH+](C)CCC(=O)NCCCCCN1CCN(C(=O)C(N)=O)CC1 ZINC001079165624 685806784 /nfs/dbraw/zinc/80/67/84/685806784.db2.gz AZGBDCSRABZUDD-UHFFFAOYSA-N 1 0 341.456 -1.146 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cccc(F)c1 ZINC001079171079 685805622 /nfs/dbraw/zinc/80/56/22/685805622.db2.gz QITHGGIYDKOHEX-QWHCGFSZSA-N 1 0 347.354 -1.118 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cccc(F)c1 ZINC001079182330 685807422 /nfs/dbraw/zinc/80/74/22/685807422.db2.gz DHPAMCAEECAEHE-QWHCGFSZSA-N 1 0 347.354 -1.118 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cccc(F)c1 ZINC001079196358 685807285 /nfs/dbraw/zinc/80/72/85/685807285.db2.gz LMLVCUMRVANVOA-RWMBFGLXSA-N 1 0 349.366 -1.124 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cccc(F)c1 ZINC001079196359 685807243 /nfs/dbraw/zinc/80/72/43/685807243.db2.gz LMLVCUMRVANVOA-YNEHKIRRSA-N 1 0 349.366 -1.124 20 0 EAADRO O=C(Cn1cnnn1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079221929 685807340 /nfs/dbraw/zinc/80/73/40/685807340.db2.gz NQWCVAUZSIHPGO-QWHCGFSZSA-N 1 0 336.396 -1.395 20 0 EAADRO CCN(C(=O)CNC(C)=O)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079227795 685807922 /nfs/dbraw/zinc/80/79/22/685807922.db2.gz LBIVSGDZSIQZBC-UHFFFAOYSA-N 1 0 328.413 -1.240 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)CC(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079229590 685808265 /nfs/dbraw/zinc/80/82/65/685808265.db2.gz HDKGZRPFXYKLIU-NWDGAFQWSA-N 1 0 338.408 -1.453 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079229619 685807931 /nfs/dbraw/zinc/80/79/31/685807931.db2.gz JBJQEOMWSWLQRM-GRYCIOLGSA-N 1 0 338.408 -1.325 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079229620 685808195 /nfs/dbraw/zinc/80/81/95/685808195.db2.gz JBJQEOMWSWLQRM-SDDRHHMPSA-N 1 0 338.408 -1.325 20 0 EAADRO O=C(Cn1ncnn1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079242212 685808145 /nfs/dbraw/zinc/80/81/45/685808145.db2.gz SHYOYDMZAYSLEV-QWHCGFSZSA-N 1 0 336.396 -1.395 20 0 EAADRO Cn1nnc(C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)n1 ZINC001079256066 685808568 /nfs/dbraw/zinc/80/85/68/685808568.db2.gz ZWDJOAKTFXRJQS-NWDGAFQWSA-N 1 0 336.396 -1.245 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079256888 685808580 /nfs/dbraw/zinc/80/85/80/685808580.db2.gz KYICHBMHXIWTFX-RWMBFGLXSA-N 1 0 338.408 -1.401 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079256889 685808888 /nfs/dbraw/zinc/80/88/88/685808888.db2.gz KYICHBMHXIWTFX-YNEHKIRRSA-N 1 0 338.408 -1.401 20 0 EAADRO NC(=O)C(=O)N1CC2(CC[NH+]([C@@H]3CCNC3=O)CC2)[C@H]2COC[C@H]21 ZINC001079258152 685809420 /nfs/dbraw/zinc/80/94/20/685809420.db2.gz PWMSOLHNXWVMIM-QJPTWQEYSA-N 1 0 336.392 -1.700 20 0 EAADRO NC(=O)C(=O)N1CC2(CC[NH+]([C@H]3CCNC3=O)CC2)[C@H]2COC[C@H]21 ZINC001079258153 685809862 /nfs/dbraw/zinc/80/98/62/685809862.db2.gz PWMSOLHNXWVMIM-SDDRHHMPSA-N 1 0 336.392 -1.700 20 0 EAADRO CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079258235 685809744 /nfs/dbraw/zinc/80/97/44/685809744.db2.gz UAAFTXOCNXWRFB-NWDGAFQWSA-N 1 0 338.408 -1.501 20 0 EAADRO NC(=O)C(=O)N1CC2(CC[NH+](CCn3cncn3)CC2)[C@H]2COC[C@H]21 ZINC001079258472 685809846 /nfs/dbraw/zinc/80/98/46/685809846.db2.gz BYIVRMAQOHQSSW-QWHCGFSZSA-N 1 0 348.407 -1.297 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079258489 685809853 /nfs/dbraw/zinc/80/98/53/685809853.db2.gz DGRIGTJHJAGYTC-GRYCIOLGSA-N 1 0 338.408 -1.454 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079258490 685809348 /nfs/dbraw/zinc/80/93/48/685809348.db2.gz DGRIGTJHJAGYTC-SDDRHHMPSA-N 1 0 338.408 -1.454 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079258640 685809284 /nfs/dbraw/zinc/80/92/84/685809284.db2.gz IOGVPBUXEKALHF-QJPTWQEYSA-N 1 0 338.408 -1.325 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079258642 685809601 /nfs/dbraw/zinc/80/96/01/685809601.db2.gz IOGVPBUXEKALHF-SDDRHHMPSA-N 1 0 338.408 -1.325 20 0 EAADRO CCN(C(=O)CNC(N)=O)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079280459 685810858 /nfs/dbraw/zinc/81/08/58/685810858.db2.gz ORSCAPOFLRAJEP-UHFFFAOYSA-N 1 0 329.401 -1.708 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccccc1F ZINC001079282045 685811531 /nfs/dbraw/zinc/81/15/31/685811531.db2.gz KQRJMJYPJJLOGN-WCQYABFASA-N 1 0 347.354 -1.118 20 0 EAADRO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079283385 685811443 /nfs/dbraw/zinc/81/14/43/685811443.db2.gz OWOYBCXRJZCRKZ-CMPLNLGQSA-N 1 0 325.413 -1.088 20 0 EAADRO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079283386 685811359 /nfs/dbraw/zinc/81/13/59/685811359.db2.gz OWOYBCXRJZCRKZ-JQWIXIFHSA-N 1 0 325.413 -1.088 20 0 EAADRO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079283387 685811596 /nfs/dbraw/zinc/81/15/96/685811596.db2.gz OWOYBCXRJZCRKZ-PWSUYJOCSA-N 1 0 325.413 -1.088 20 0 EAADRO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079283388 685811645 /nfs/dbraw/zinc/81/16/45/685811645.db2.gz OWOYBCXRJZCRKZ-ZYHUDNBSSA-N 1 0 325.413 -1.088 20 0 EAADRO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079288267 685813081 /nfs/dbraw/zinc/81/30/81/685813081.db2.gz IBIPQEPOJQBGDU-UHFFFAOYSA-N 1 0 339.400 -1.689 20 0 EAADRO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079288617 685813439 /nfs/dbraw/zinc/81/34/39/685813439.db2.gz QAEBEWRSVJMNDM-UHFFFAOYSA-N 1 0 333.396 -1.172 20 0 EAADRO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079291395 685814789 /nfs/dbraw/zinc/81/47/89/685814789.db2.gz UHRCCUDVKRWDHE-AAEUAGOBSA-N 1 0 335.412 -1.070 20 0 EAADRO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079291396 685814996 /nfs/dbraw/zinc/81/49/96/685814996.db2.gz UHRCCUDVKRWDHE-DGCLKSJQSA-N 1 0 335.412 -1.070 20 0 EAADRO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079291397 685814892 /nfs/dbraw/zinc/81/48/92/685814892.db2.gz UHRCCUDVKRWDHE-WCQYABFASA-N 1 0 335.412 -1.070 20 0 EAADRO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079291398 685814702 /nfs/dbraw/zinc/81/47/02/685814702.db2.gz UHRCCUDVKRWDHE-YPMHNXCESA-N 1 0 335.412 -1.070 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1ccccc1F ZINC001079295937 685814777 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FPNHIQQEDLIUSK-NWDGAFQWSA-N 1 0 333.454 -1.137 20 0 EAADRO CSCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081233825 685939633 /nfs/dbraw/zinc/93/96/33/685939633.db2.gz FPNHIQQEDLIUSK-RYUDHWBXSA-N 1 0 333.454 -1.137 20 0 EAADRO CSCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081233826 685939714 /nfs/dbraw/zinc/93/97/14/685939714.db2.gz FPNHIQQEDLIUSK-VXGBXAGGSA-N 1 0 333.454 -1.137 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081245194 685942886 /nfs/dbraw/zinc/94/28/86/685942886.db2.gz GZOOFMDDKOQZBP-GHMZBOCLSA-N 1 0 329.401 -2.070 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081245195 685942983 /nfs/dbraw/zinc/94/29/83/685942983.db2.gz GZOOFMDDKOQZBP-MNOVXSKESA-N 1 0 329.401 -2.070 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245196 685942995 /nfs/dbraw/zinc/94/29/95/685942995.db2.gz GZOOFMDDKOQZBP-QWRGUYRKSA-N 1 0 329.401 -2.070 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245197 685942913 /nfs/dbraw/zinc/94/29/13/685942913.db2.gz GZOOFMDDKOQZBP-WDEREUQCSA-N 1 0 329.401 -2.070 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1)C1CCC1 ZINC001081245426 685943297 /nfs/dbraw/zinc/94/32/97/685943297.db2.gz JTJMVVPKCHKRGX-CMPLNLGQSA-N 1 0 341.412 -1.926 20 0 EAADRO C[N@H+](CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1)C1CCC1 ZINC001081245427 685943311 /nfs/dbraw/zinc/94/33/11/685943311.db2.gz JTJMVVPKCHKRGX-JQWIXIFHSA-N 1 0 341.412 -1.926 20 0 EAADRO C[N@H+](CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1)C1CCC1 ZINC001081245428 685943183 /nfs/dbraw/zinc/94/31/83/685943183.db2.gz JTJMVVPKCHKRGX-PWSUYJOCSA-N 1 0 341.412 -1.926 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1)C1CCC1 ZINC001081245429 685943280 /nfs/dbraw/zinc/94/32/80/685943280.db2.gz JTJMVVPKCHKRGX-ZYHUDNBSSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001081245454 685943201 /nfs/dbraw/zinc/94/32/01/685943201.db2.gz KHAIEIOKJNTEDW-NEPJUHHUSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001081245455 685943154 /nfs/dbraw/zinc/94/31/54/685943154.db2.gz KHAIEIOKJNTEDW-NWDGAFQWSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001081245456 685943132 /nfs/dbraw/zinc/94/31/32/685943132.db2.gz KHAIEIOKJNTEDW-RYUDHWBXSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C2)CC1 ZINC001081245457 685943317 /nfs/dbraw/zinc/94/33/17/685943317.db2.gz KHAIEIOKJNTEDW-VXGBXAGGSA-N 1 0 341.412 -2.068 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081245662 685943523 /nfs/dbraw/zinc/94/35/23/685943523.db2.gz MXSRQWNSKILGLC-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081245663 685943492 /nfs/dbraw/zinc/94/34/92/685943492.db2.gz MXSRQWNSKILGLC-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245664 685943457 /nfs/dbraw/zinc/94/34/57/685943457.db2.gz MXSRQWNSKILGLC-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245665 685943454 /nfs/dbraw/zinc/94/34/54/685943454.db2.gz MXSRQWNSKILGLC-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081245926 685943662 /nfs/dbraw/zinc/94/36/62/685943662.db2.gz PZUGICRLVUTDFZ-NEPJUHHUSA-N 1 0 343.428 -1.678 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245927 685943790 /nfs/dbraw/zinc/94/37/90/685943790.db2.gz PZUGICRLVUTDFZ-NWDGAFQWSA-N 1 0 343.428 -1.678 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245928 685943864 /nfs/dbraw/zinc/94/38/64/685943864.db2.gz PZUGICRLVUTDFZ-RYUDHWBXSA-N 1 0 343.428 -1.678 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081245929 685943691 /nfs/dbraw/zinc/94/36/91/685943691.db2.gz PZUGICRLVUTDFZ-VXGBXAGGSA-N 1 0 343.428 -1.678 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081245934 685943720 /nfs/dbraw/zinc/94/37/20/685943720.db2.gz QCUOOEZQDDXCBV-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081245935 685943806 /nfs/dbraw/zinc/94/38/06/685943806.db2.gz QCUOOEZQDDXCBV-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245936 685943830 /nfs/dbraw/zinc/94/38/30/685943830.db2.gz QCUOOEZQDDXCBV-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245937 685943838 /nfs/dbraw/zinc/94/38/38/685943838.db2.gz QCUOOEZQDDXCBV-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081245950 685943684 /nfs/dbraw/zinc/94/36/84/685943684.db2.gz QFSXECBXEWNJPW-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081245951 685943800 /nfs/dbraw/zinc/94/38/00/685943800.db2.gz QFSXECBXEWNJPW-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245952 685943849 /nfs/dbraw/zinc/94/38/49/685943849.db2.gz QFSXECBXEWNJPW-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081245953 685943680 /nfs/dbraw/zinc/94/36/80/685943680.db2.gz QFSXECBXEWNJPW-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081246002 685943659 /nfs/dbraw/zinc/94/36/59/685943659.db2.gz RAELOUYJPUXERA-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081246003 685943697 /nfs/dbraw/zinc/94/36/97/685943697.db2.gz RAELOUYJPUXERA-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081246004 685943752 /nfs/dbraw/zinc/94/37/52/685943752.db2.gz RAELOUYJPUXERA-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081246005 685943814 /nfs/dbraw/zinc/94/38/14/685943814.db2.gz RAELOUYJPUXERA-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081246042 685944078 /nfs/dbraw/zinc/94/40/78/685944078.db2.gz RRAMSNMPFQQQLQ-GHMZBOCLSA-N 1 0 345.400 -2.832 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081246043 685944094 /nfs/dbraw/zinc/94/40/94/685944094.db2.gz RRAMSNMPFQQQLQ-MNOVXSKESA-N 1 0 345.400 -2.832 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081246044 685944000 /nfs/dbraw/zinc/94/40/00/685944000.db2.gz RRAMSNMPFQQQLQ-QWRGUYRKSA-N 1 0 345.400 -2.832 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081246045 685943977 /nfs/dbraw/zinc/94/39/77/685943977.db2.gz RRAMSNMPFQQQLQ-WDEREUQCSA-N 1 0 345.400 -2.832 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C2)CCC1 ZINC001081246122 685943960 /nfs/dbraw/zinc/94/39/60/685943960.db2.gz SNYOIFYTRMWVLF-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C2)CCC1 ZINC001081246123 685944016 /nfs/dbraw/zinc/94/40/16/685944016.db2.gz SNYOIFYTRMWVLF-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)CCC1 ZINC001081246124 685944050 /nfs/dbraw/zinc/94/40/50/685944050.db2.gz SNYOIFYTRMWVLF-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)CCC1 ZINC001081246125 685944025 /nfs/dbraw/zinc/94/40/25/685944025.db2.gz SNYOIFYTRMWVLF-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081246198 685944277 /nfs/dbraw/zinc/94/42/77/685944277.db2.gz UHHWXORKTCGXAL-NEPJUHHUSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081246199 685944196 /nfs/dbraw/zinc/94/41/96/685944196.db2.gz UHHWXORKTCGXAL-NWDGAFQWSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081246200 685944318 /nfs/dbraw/zinc/94/43/18/685944318.db2.gz UHHWXORKTCGXAL-RYUDHWBXSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081246201 685944263 /nfs/dbraw/zinc/94/42/63/685944263.db2.gz UHHWXORKTCGXAL-VXGBXAGGSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C2)CC1 ZINC001081246246 685944222 /nfs/dbraw/zinc/94/42/22/685944222.db2.gz VFBAXRKCTOKPQF-GHMZBOCLSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001081246247 685944313 /nfs/dbraw/zinc/94/43/13/685944313.db2.gz VFBAXRKCTOKPQF-MNOVXSKESA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001081246248 685944256 /nfs/dbraw/zinc/94/42/56/685944256.db2.gz VFBAXRKCTOKPQF-QWRGUYRKSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)CC1 ZINC001081246249 685944346 /nfs/dbraw/zinc/94/43/46/685944346.db2.gz VFBAXRKCTOKPQF-WDEREUQCSA-N 1 0 341.412 -2.068 20 0 EAADRO NC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081246350 685944233 /nfs/dbraw/zinc/94/42/33/685944233.db2.gz WJLZWMGTXLIGRS-GHMZBOCLSA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081246351 685944283 /nfs/dbraw/zinc/94/42/83/685944283.db2.gz WJLZWMGTXLIGRS-MNOVXSKESA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081246352 685944310 /nfs/dbraw/zinc/94/43/10/685944310.db2.gz WJLZWMGTXLIGRS-QWRGUYRKSA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081246353 685944331 /nfs/dbraw/zinc/94/43/31/685944331.db2.gz WJLZWMGTXLIGRS-WDEREUQCSA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081247578 685945115 /nfs/dbraw/zinc/94/51/15/685945115.db2.gz FKVINTIFEYKQHV-GHMZBOCLSA-N 1 0 327.385 -2.314 20 0 EAADRO NC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081247579 685945024 /nfs/dbraw/zinc/94/50/24/685945024.db2.gz FKVINTIFEYKQHV-MNOVXSKESA-N 1 0 327.385 -2.314 20 0 EAADRO NC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081247580 685945028 /nfs/dbraw/zinc/94/50/28/685945028.db2.gz FKVINTIFEYKQHV-QWRGUYRKSA-N 1 0 327.385 -2.314 20 0 EAADRO NC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081247581 685945042 /nfs/dbraw/zinc/94/50/42/685945042.db2.gz FKVINTIFEYKQHV-WDEREUQCSA-N 1 0 327.385 -2.314 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081248258 685946040 /nfs/dbraw/zinc/94/60/40/685946040.db2.gz NMSPHQVEYYZGTG-NEPJUHHUSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081248259 685946116 /nfs/dbraw/zinc/94/61/16/685946116.db2.gz NMSPHQVEYYZGTG-NWDGAFQWSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081248260 685946025 /nfs/dbraw/zinc/94/60/25/685946025.db2.gz NMSPHQVEYYZGTG-RYUDHWBXSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081248261 685946062 /nfs/dbraw/zinc/94/60/62/685946062.db2.gz NMSPHQVEYYZGTG-VXGBXAGGSA-N 1 0 349.395 -2.296 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C1 ZINC001081249027 685947287 /nfs/dbraw/zinc/94/72/87/685947287.db2.gz VKEAMRYZTPXFSZ-GHMZBOCLSA-N 1 0 343.428 -1.680 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C1 ZINC001081249029 685947203 /nfs/dbraw/zinc/94/72/03/685947203.db2.gz VKEAMRYZTPXFSZ-MNOVXSKESA-N 1 0 343.428 -1.680 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081249030 685947296 /nfs/dbraw/zinc/94/72/96/685947296.db2.gz VKEAMRYZTPXFSZ-QWRGUYRKSA-N 1 0 343.428 -1.680 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001081249031 685947258 /nfs/dbraw/zinc/94/72/58/685947258.db2.gz VKEAMRYZTPXFSZ-WDEREUQCSA-N 1 0 343.428 -1.680 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001081249434 685947546 /nfs/dbraw/zinc/94/75/46/685947546.db2.gz YGFIWLIYDLURHM-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081249437 685947490 /nfs/dbraw/zinc/94/74/90/685947490.db2.gz YGFIWLIYDLURHM-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081249439 685947459 /nfs/dbraw/zinc/94/74/59/685947459.db2.gz YGFIWLIYDLURHM-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001081249441 685947586 /nfs/dbraw/zinc/94/75/86/685947586.db2.gz YGFIWLIYDLURHM-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001081250631 685933304 /nfs/dbraw/zinc/93/33/04/685933304.db2.gz DVCCCFIQPIUFGL-NEPJUHHUSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081250632 685933172 /nfs/dbraw/zinc/93/31/72/685933172.db2.gz DVCCCFIQPIUFGL-NWDGAFQWSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081250633 685933162 /nfs/dbraw/zinc/93/31/62/685933162.db2.gz DVCCCFIQPIUFGL-RYUDHWBXSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001081250634 685933317 /nfs/dbraw/zinc/93/33/17/685933317.db2.gz DVCCCFIQPIUFGL-VXGBXAGGSA-N 1 0 339.400 -2.051 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001081251079 685934258 /nfs/dbraw/zinc/93/42/58/685934258.db2.gz KDBSEHPPNMQEQV-GHMZBOCLSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001081251080 685934226 /nfs/dbraw/zinc/93/42/26/685934226.db2.gz KDBSEHPPNMQEQV-MNOVXSKESA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081251081 685934352 /nfs/dbraw/zinc/93/43/52/685934352.db2.gz KDBSEHPPNMQEQV-QWRGUYRKSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081251082 685934390 /nfs/dbraw/zinc/93/43/90/685934390.db2.gz KDBSEHPPNMQEQV-WDEREUQCSA-N 1 0 325.373 -2.440 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081251303 685934177 /nfs/dbraw/zinc/93/41/77/685934177.db2.gz MTAIIIVZIUXQSE-NEPJUHHUSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081251304 685934193 /nfs/dbraw/zinc/93/41/93/685934193.db2.gz MTAIIIVZIUXQSE-NWDGAFQWSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081251305 685934164 /nfs/dbraw/zinc/93/41/64/685934164.db2.gz MTAIIIVZIUXQSE-RYUDHWBXSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081251306 685934203 /nfs/dbraw/zinc/93/42/03/685934203.db2.gz MTAIIIVZIUXQSE-VXGBXAGGSA-N 1 0 337.384 -2.296 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001081251671 685935025 /nfs/dbraw/zinc/93/50/25/685935025.db2.gz RMMJOEMCHIESAZ-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081251672 685934983 /nfs/dbraw/zinc/93/49/83/685934983.db2.gz RMMJOEMCHIESAZ-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081251673 685934979 /nfs/dbraw/zinc/93/49/79/685934979.db2.gz RMMJOEMCHIESAZ-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001081251674 685935104 /nfs/dbraw/zinc/93/51/04/685935104.db2.gz RMMJOEMCHIESAZ-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001081252083 685935315 /nfs/dbraw/zinc/93/53/15/685935315.db2.gz WUFOCNOQOQNVNG-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081252084 685935290 /nfs/dbraw/zinc/93/52/90/685935290.db2.gz WUFOCNOQOQNVNG-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081252085 685935276 /nfs/dbraw/zinc/93/52/76/685935276.db2.gz WUFOCNOQOQNVNG-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001081252086 685935250 /nfs/dbraw/zinc/93/52/50/685935250.db2.gz WUFOCNOQOQNVNG-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001081252251 685935552 /nfs/dbraw/zinc/93/55/52/685935552.db2.gz ZAFWVNITLCDCLD-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081252252 685935673 /nfs/dbraw/zinc/93/56/73/685935673.db2.gz ZAFWVNITLCDCLD-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001081252253 685935647 /nfs/dbraw/zinc/93/56/47/685935647.db2.gz ZAFWVNITLCDCLD-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001081252254 685935642 /nfs/dbraw/zinc/93/56/42/685935642.db2.gz ZAFWVNITLCDCLD-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001081254784 685936486 /nfs/dbraw/zinc/93/64/86/685936486.db2.gz VWQJYIYBNQUHPM-CHWSQXEVSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CCCC2=O)C1 ZINC001081254785 685936413 /nfs/dbraw/zinc/93/64/13/685936413.db2.gz VWQJYIYBNQUHPM-OLZOCXBDSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN2CCCC2=O)C1 ZINC001081254786 685936459 /nfs/dbraw/zinc/93/64/59/685936459.db2.gz VWQJYIYBNQUHPM-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN2CCCC2=O)C1 ZINC001081254787 685936501 /nfs/dbraw/zinc/93/65/01/685936501.db2.gz VWQJYIYBNQUHPM-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO O=C(Cn1cccn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081258980 685937043 /nfs/dbraw/zinc/93/70/43/685937043.db2.gz FJWPDLNMFSHMMT-KBPBESRZSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1cccn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081258981 685936997 /nfs/dbraw/zinc/93/69/97/685936997.db2.gz FJWPDLNMFSHMMT-KGLIPLIRSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1cccn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081258982 685937092 /nfs/dbraw/zinc/93/70/92/685937092.db2.gz FJWPDLNMFSHMMT-UONOGXRCSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1cccn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081258983 685936950 /nfs/dbraw/zinc/93/69/50/685936950.db2.gz FJWPDLNMFSHMMT-ZIAGYGMSSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1cccn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081262558 685937602 /nfs/dbraw/zinc/93/76/02/685937602.db2.gz QVUZZRIOCZBUHB-KBPBESRZSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(Cn1cccn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081262559 685937708 /nfs/dbraw/zinc/93/77/08/685937708.db2.gz QVUZZRIOCZBUHB-KGLIPLIRSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(Cn1cccn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081262560 685937674 /nfs/dbraw/zinc/93/76/74/685937674.db2.gz QVUZZRIOCZBUHB-UONOGXRCSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(Cn1cccn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081262561 685937682 /nfs/dbraw/zinc/93/76/82/685937682.db2.gz QVUZZRIOCZBUHB-ZIAGYGMSSA-N 1 0 335.408 -1.086 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CCn2cncn2)[C@H](O)C1 ZINC001081267754 685938410 /nfs/dbraw/zinc/93/84/10/685938410.db2.gz NGEGZQPZCNBJIJ-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCn2cncn2)C1 ZINC001081267755 685938366 /nfs/dbraw/zinc/93/83/66/685938366.db2.gz NGEGZQPZCNBJIJ-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001081267756 685938705 /nfs/dbraw/zinc/93/87/05/685938705.db2.gz NGEGZQPZCNBJIJ-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001081267757 685938693 /nfs/dbraw/zinc/93/86/93/685938693.db2.gz NGEGZQPZCNBJIJ-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001081287323 685953487 /nfs/dbraw/zinc/95/34/87/685953487.db2.gz WGUIBUOXZHDBSF-AAEUAGOBSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001081287324 685953505 /nfs/dbraw/zinc/95/35/05/685953505.db2.gz WGUIBUOXZHDBSF-DGCLKSJQSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001081287325 685953403 /nfs/dbraw/zinc/95/34/03/685953403.db2.gz WGUIBUOXZHDBSF-WCQYABFASA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001081287326 685953430 /nfs/dbraw/zinc/95/34/30/685953430.db2.gz WGUIBUOXZHDBSF-YPMHNXCESA-N 1 0 339.396 -1.463 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081289428 685953857 /nfs/dbraw/zinc/95/38/57/685953857.db2.gz LYELZTOPPYZQBG-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081289429 685954066 /nfs/dbraw/zinc/95/40/66/685954066.db2.gz LYELZTOPPYZQBG-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081289430 685954060 /nfs/dbraw/zinc/95/40/60/685954060.db2.gz LYELZTOPPYZQBG-UONOGXRCSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001081289431 685953974 /nfs/dbraw/zinc/95/39/74/685953974.db2.gz LYELZTOPPYZQBG-ZIAGYGMSSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081290288 685954234 /nfs/dbraw/zinc/95/42/34/685954234.db2.gz VTPVISCVNDUBTQ-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081290289 685954173 /nfs/dbraw/zinc/95/41/73/685954173.db2.gz VTPVISCVNDUBTQ-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081290290 685954203 /nfs/dbraw/zinc/95/42/03/685954203.db2.gz VTPVISCVNDUBTQ-UONOGXRCSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001081290291 685954259 /nfs/dbraw/zinc/95/42/59/685954259.db2.gz VTPVISCVNDUBTQ-ZIAGYGMSSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081291393 685954504 /nfs/dbraw/zinc/95/45/04/685954504.db2.gz CRNKKSVMZWTYBQ-CHWSQXEVSA-N 1 0 328.413 -1.648 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081291394 685954552 /nfs/dbraw/zinc/95/45/52/685954552.db2.gz CRNKKSVMZWTYBQ-OLZOCXBDSA-N 1 0 328.413 -1.648 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081291395 685954519 /nfs/dbraw/zinc/95/45/19/685954519.db2.gz CRNKKSVMZWTYBQ-QWHCGFSZSA-N 1 0 328.413 -1.648 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081291396 685954473 /nfs/dbraw/zinc/95/44/73/685954473.db2.gz CRNKKSVMZWTYBQ-STQMWFEESA-N 1 0 328.413 -1.648 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081291397 685954511 /nfs/dbraw/zinc/95/45/11/685954511.db2.gz CTODUMJSOQGYOD-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081291398 685954433 /nfs/dbraw/zinc/95/44/33/685954433.db2.gz CTODUMJSOQGYOD-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081291399 685954578 /nfs/dbraw/zinc/95/45/78/685954578.db2.gz CTODUMJSOQGYOD-UONOGXRCSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081291400 685954418 /nfs/dbraw/zinc/95/44/18/685954418.db2.gz CTODUMJSOQGYOD-ZIAGYGMSSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081291497 685954801 /nfs/dbraw/zinc/95/48/01/685954801.db2.gz FATWLKAKJZZBGG-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081291498 685954833 /nfs/dbraw/zinc/95/48/33/685954833.db2.gz FATWLKAKJZZBGG-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001081291499 685954783 /nfs/dbraw/zinc/95/47/83/685954783.db2.gz FATWLKAKJZZBGG-UONOGXRCSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001081291500 685954814 /nfs/dbraw/zinc/95/48/14/685954814.db2.gz FATWLKAKJZZBGG-ZIAGYGMSSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001081291741 685954730 /nfs/dbraw/zinc/95/47/30/685954730.db2.gz IMUCJWRBOIBJDG-KBPBESRZSA-N 1 0 342.440 -1.260 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001081291742 685954808 /nfs/dbraw/zinc/95/48/08/685954808.db2.gz IMUCJWRBOIBJDG-KGLIPLIRSA-N 1 0 342.440 -1.260 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC001081291743 685954752 /nfs/dbraw/zinc/95/47/52/685954752.db2.gz IMUCJWRBOIBJDG-UONOGXRCSA-N 1 0 342.440 -1.260 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC001081291744 685954771 /nfs/dbraw/zinc/95/47/71/685954771.db2.gz IMUCJWRBOIBJDG-ZIAGYGMSSA-N 1 0 342.440 -1.260 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081293407 685954970 /nfs/dbraw/zinc/95/49/70/685954970.db2.gz XGBPIBCFEHXVFY-KBPBESRZSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081293408 685955115 /nfs/dbraw/zinc/95/51/15/685955115.db2.gz XGBPIBCFEHXVFY-KGLIPLIRSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081293409 685954952 /nfs/dbraw/zinc/95/49/52/685954952.db2.gz XGBPIBCFEHXVFY-UONOGXRCSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081293410 685955109 /nfs/dbraw/zinc/95/51/09/685955109.db2.gz XGBPIBCFEHXVFY-ZIAGYGMSSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001081296116 685955613 /nfs/dbraw/zinc/95/56/13/685955613.db2.gz ZRHLHDGVSHKEAF-CHWSQXEVSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001081296117 685955529 /nfs/dbraw/zinc/95/55/29/685955529.db2.gz ZRHLHDGVSHKEAF-OLZOCXBDSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001081296118 685955503 /nfs/dbraw/zinc/95/55/03/685955503.db2.gz ZRHLHDGVSHKEAF-QWHCGFSZSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001081296119 685955678 /nfs/dbraw/zinc/95/56/78/685955678.db2.gz ZRHLHDGVSHKEAF-STQMWFEESA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001081300343 685956798 /nfs/dbraw/zinc/95/67/98/685956798.db2.gz QACLOEKYUDCLEJ-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001081300344 685956888 /nfs/dbraw/zinc/95/68/88/685956888.db2.gz QACLOEKYUDCLEJ-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001081300345 685956809 /nfs/dbraw/zinc/95/68/09/685956809.db2.gz QACLOEKYUDCLEJ-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001081300346 685956827 /nfs/dbraw/zinc/95/68/27/685956827.db2.gz QACLOEKYUDCLEJ-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO COCCCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081302806 685957649 /nfs/dbraw/zinc/95/76/49/685957649.db2.gz OTIFTUUTLNUSLB-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081302807 685957703 /nfs/dbraw/zinc/95/77/03/685957703.db2.gz OTIFTUUTLNUSLB-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081302808 685957726 /nfs/dbraw/zinc/95/77/26/685957726.db2.gz OTIFTUUTLNUSLB-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081302809 685957789 /nfs/dbraw/zinc/95/77/89/685957789.db2.gz OTIFTUUTLNUSLB-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC001081305319 685958867 /nfs/dbraw/zinc/95/88/67/685958867.db2.gz OSBOIZZUIOHXON-AAEUAGOBSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1 ZINC001081305320 685958807 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ZINC001081306901 685959674 /nfs/dbraw/zinc/95/96/74/685959674.db2.gz CHRDXDSUTLQDGH-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081306902 685959567 /nfs/dbraw/zinc/95/95/67/685959567.db2.gz CHRDXDSUTLQDGH-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081306903 685959641 /nfs/dbraw/zinc/95/96/41/685959641.db2.gz CHRDXDSUTLQDGH-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081306904 685959530 /nfs/dbraw/zinc/95/95/30/685959530.db2.gz CHRDXDSUTLQDGH-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001081308024 685960265 /nfs/dbraw/zinc/96/02/65/685960265.db2.gz QODWESHOYXWOOM-NEPJUHHUSA-N 1 0 344.412 -1.380 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001081308025 685960245 /nfs/dbraw/zinc/96/02/45/685960245.db2.gz QODWESHOYXWOOM-NWDGAFQWSA-N 1 0 344.412 -1.380 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001081308026 685960178 /nfs/dbraw/zinc/96/01/78/685960178.db2.gz QODWESHOYXWOOM-RYUDHWBXSA-N 1 0 344.412 -1.380 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001081308027 685960195 /nfs/dbraw/zinc/96/01/95/685960195.db2.gz QODWESHOYXWOOM-VXGBXAGGSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001081308412 685960557 /nfs/dbraw/zinc/96/05/57/685960557.db2.gz WEKKOXOZULNKHL-NEPJUHHUSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001081308413 685960527 /nfs/dbraw/zinc/96/05/27/685960527.db2.gz WEKKOXOZULNKHL-NWDGAFQWSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001081308414 685960611 /nfs/dbraw/zinc/96/06/11/685960611.db2.gz WEKKOXOZULNKHL-RYUDHWBXSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001081308415 685960586 /nfs/dbraw/zinc/96/05/86/685960586.db2.gz WEKKOXOZULNKHL-VXGBXAGGSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081308472 685960453 /nfs/dbraw/zinc/96/04/53/685960453.db2.gz WRUSYYLMSZJUQQ-NEPJUHHUSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081308473 685960542 /nfs/dbraw/zinc/96/05/42/685960542.db2.gz WRUSYYLMSZJUQQ-NWDGAFQWSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081308474 685960494 /nfs/dbraw/zinc/96/04/94/685960494.db2.gz WRUSYYLMSZJUQQ-RYUDHWBXSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081308475 685960565 /nfs/dbraw/zinc/96/05/65/685960565.db2.gz WRUSYYLMSZJUQQ-VXGBXAGGSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081308548 685960608 /nfs/dbraw/zinc/96/06/08/685960608.db2.gz YFXXUNQQKQEUTQ-GHMZBOCLSA-N 1 0 330.385 -1.770 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081308549 685960499 /nfs/dbraw/zinc/96/04/99/685960499.db2.gz YFXXUNQQKQEUTQ-MNOVXSKESA-N 1 0 330.385 -1.770 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081308550 685960486 /nfs/dbraw/zinc/96/04/86/685960486.db2.gz YFXXUNQQKQEUTQ-QWRGUYRKSA-N 1 0 330.385 -1.770 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081308551 685960574 /nfs/dbraw/zinc/96/05/74/685960574.db2.gz YFXXUNQQKQEUTQ-WDEREUQCSA-N 1 0 330.385 -1.770 20 0 EAADRO CCCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081312303 685960510 /nfs/dbraw/zinc/96/05/10/685960510.db2.gz AOTWIINAFZSEGF-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081312304 685960441 /nfs/dbraw/zinc/96/04/41/685960441.db2.gz AOTWIINAFZSEGF-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCCC(=O)NCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081312305 685960594 /nfs/dbraw/zinc/96/05/94/685960594.db2.gz AOTWIINAFZSEGF-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCCC(=O)NCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081312306 685960825 /nfs/dbraw/zinc/96/08/25/685960825.db2.gz AOTWIINAFZSEGF-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081318255 685948485 /nfs/dbraw/zinc/94/84/85/685948485.db2.gz HHYKFUQBNNKBDJ-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081318256 685948368 /nfs/dbraw/zinc/94/83/68/685948368.db2.gz HHYKFUQBNNKBDJ-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081318257 685948496 /nfs/dbraw/zinc/94/84/96/685948496.db2.gz HHYKFUQBNNKBDJ-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001081318258 685948463 /nfs/dbraw/zinc/94/84/63/685948463.db2.gz HHYKFUQBNNKBDJ-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081318607 685948697 /nfs/dbraw/zinc/94/86/97/685948697.db2.gz LNRLDLMPSPENRH-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081318608 685948704 /nfs/dbraw/zinc/94/87/04/685948704.db2.gz LNRLDLMPSPENRH-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081318609 685948586 /nfs/dbraw/zinc/94/85/86/685948586.db2.gz LNRLDLMPSPENRH-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001081318610 685948673 /nfs/dbraw/zinc/94/86/73/685948673.db2.gz LNRLDLMPSPENRH-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319123 685949207 /nfs/dbraw/zinc/94/92/07/685949207.db2.gz SFIXLDFLAOEEQA-NEPJUHHUSA-N 1 0 349.453 -1.693 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319124 685949284 /nfs/dbraw/zinc/94/92/84/685949284.db2.gz SFIXLDFLAOEEQA-NWDGAFQWSA-N 1 0 349.453 -1.693 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319125 685949180 /nfs/dbraw/zinc/94/91/80/685949180.db2.gz SFIXLDFLAOEEQA-RYUDHWBXSA-N 1 0 349.453 -1.693 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001081319126 685949132 /nfs/dbraw/zinc/94/91/32/685949132.db2.gz SFIXLDFLAOEEQA-VXGBXAGGSA-N 1 0 349.453 -1.693 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001081319143 685949167 /nfs/dbraw/zinc/94/91/67/685949167.db2.gz SRDRXGPUOKEKHI-GHMZBOCLSA-N 1 0 335.426 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319144 685949240 /nfs/dbraw/zinc/94/92/40/685949240.db2.gz SRDRXGPUOKEKHI-MNOVXSKESA-N 1 0 335.426 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319145 685949176 /nfs/dbraw/zinc/94/91/76/685949176.db2.gz SRDRXGPUOKEKHI-QWRGUYRKSA-N 1 0 335.426 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319146 685949282 /nfs/dbraw/zinc/94/92/82/685949282.db2.gz SRDRXGPUOKEKHI-WDEREUQCSA-N 1 0 335.426 -2.082 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319351 685949468 /nfs/dbraw/zinc/94/94/68/685949468.db2.gz VKPICKIQPDQBCI-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319352 685949524 /nfs/dbraw/zinc/94/95/24/685949524.db2.gz VKPICKIQPDQBCI-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319353 685949501 /nfs/dbraw/zinc/94/95/01/685949501.db2.gz VKPICKIQPDQBCI-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001081319354 685949534 /nfs/dbraw/zinc/94/95/34/685949534.db2.gz VKPICKIQPDQBCI-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO CS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081319355 685949412 /nfs/dbraw/zinc/94/94/12/685949412.db2.gz VKYPUBWHMVCJCN-NEPJUHHUSA-N 1 0 347.437 -1.938 20 0 EAADRO CS(=O)(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081319356 685949530 /nfs/dbraw/zinc/94/95/30/685949530.db2.gz VKYPUBWHMVCJCN-NWDGAFQWSA-N 1 0 347.437 -1.938 20 0 EAADRO CS(=O)(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081319357 685949561 /nfs/dbraw/zinc/94/95/61/685949561.db2.gz VKYPUBWHMVCJCN-RYUDHWBXSA-N 1 0 347.437 -1.938 20 0 EAADRO CS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081319358 685949449 /nfs/dbraw/zinc/94/94/49/685949449.db2.gz VKYPUBWHMVCJCN-VXGBXAGGSA-N 1 0 347.437 -1.938 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319667 685949793 /nfs/dbraw/zinc/94/97/93/685949793.db2.gz ZAEZKJMVDMAFSS-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319668 685949717 /nfs/dbraw/zinc/94/97/17/685949717.db2.gz ZAEZKJMVDMAFSS-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001081319669 685949786 /nfs/dbraw/zinc/94/97/86/685949786.db2.gz ZAEZKJMVDMAFSS-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001081319670 685949895 /nfs/dbraw/zinc/94/98/95/685949895.db2.gz ZAEZKJMVDMAFSS-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO CC(C)OCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081323850 685950729 /nfs/dbraw/zinc/95/07/29/685950729.db2.gz JDMMVHYFACSPNS-KBPBESRZSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)OCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081323851 685950763 /nfs/dbraw/zinc/95/07/63/685950763.db2.gz JDMMVHYFACSPNS-KGLIPLIRSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)OCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081323852 685950768 /nfs/dbraw/zinc/95/07/68/685950768.db2.gz JDMMVHYFACSPNS-UONOGXRCSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)OCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081323853 685950726 /nfs/dbraw/zinc/95/07/26/685950726.db2.gz JDMMVHYFACSPNS-ZIAGYGMSSA-N 1 0 345.440 -1.075 20 0 EAADRO CCCOCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081326409 685950900 /nfs/dbraw/zinc/95/09/00/685950900.db2.gz CFDGPYNXRUWBIZ-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO CCCOCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081326410 685950919 /nfs/dbraw/zinc/95/09/19/685950919.db2.gz CFDGPYNXRUWBIZ-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO CCCOCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081326411 685950979 /nfs/dbraw/zinc/95/09/79/685950979.db2.gz CFDGPYNXRUWBIZ-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO CCCOCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081326412 685950991 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PHSCUYUKWADSIC-NWDGAFQWSA-N 1 0 342.440 -1.225 20 0 EAADRO C[N@H+](CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C1)CC(C)(C)C ZINC001081371523 685975226 /nfs/dbraw/zinc/97/52/26/685975226.db2.gz PHSCUYUKWADSIC-RYUDHWBXSA-N 1 0 342.440 -1.225 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1)CC(C)(C)C ZINC001081371524 685975107 /nfs/dbraw/zinc/97/51/07/685975107.db2.gz PHSCUYUKWADSIC-VXGBXAGGSA-N 1 0 342.440 -1.225 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001081371609 685975005 /nfs/dbraw/zinc/97/50/05/685975005.db2.gz PZIPKEMHBAWVNC-CHWSQXEVSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001081371610 685975171 /nfs/dbraw/zinc/97/51/71/685975171.db2.gz PZIPKEMHBAWVNC-OLZOCXBDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001081371611 685975044 /nfs/dbraw/zinc/97/50/44/685975044.db2.gz PZIPKEMHBAWVNC-QWHCGFSZSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001081371612 685975222 /nfs/dbraw/zinc/97/52/22/685975222.db2.gz PZIPKEMHBAWVNC-STQMWFEESA-N 1 0 340.424 -1.327 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1 ZINC001081371617 685975081 /nfs/dbraw/zinc/97/50/81/685975081.db2.gz QAICKDZMIWEXSE-GHMZBOCLSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 ZINC001081371618 685975192 /nfs/dbraw/zinc/97/51/92/685975192.db2.gz QAICKDZMIWEXSE-MNOVXSKESA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081371619 685975144 /nfs/dbraw/zinc/97/51/44/685975144.db2.gz QAICKDZMIWEXSE-QWRGUYRKSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081371620 685975072 /nfs/dbraw/zinc/97/50/72/685975072.db2.gz QAICKDZMIWEXSE-WDEREUQCSA-N 1 0 328.413 -1.472 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001081371805 685975491 /nfs/dbraw/zinc/97/54/91/685975491.db2.gz SIVOPUZULNXGKT-CHWSQXEVSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001081371806 685975350 /nfs/dbraw/zinc/97/53/50/685975350.db2.gz SIVOPUZULNXGKT-OLZOCXBDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001081371807 685975506 /nfs/dbraw/zinc/97/55/06/685975506.db2.gz SIVOPUZULNXGKT-QWHCGFSZSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001081371808 685975360 /nfs/dbraw/zinc/97/53/60/685975360.db2.gz SIVOPUZULNXGKT-STQMWFEESA-N 1 0 340.424 -1.327 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)C1 ZINC001081372161 685975999 /nfs/dbraw/zinc/97/59/99/685975999.db2.gz XVLVQIRKLUMEJJ-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)C1 ZINC001081372162 685975958 /nfs/dbraw/zinc/97/59/58/685975958.db2.gz XVLVQIRKLUMEJJ-NWDGAFQWSA-N 1 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C[N@H+](CC(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1)C1CCC1 ZINC001081373202 685976515 /nfs/dbraw/zinc/97/65/15/685976515.db2.gz DVUCOIXKBXNDFI-ZYHUDNBSSA-N 1 0 326.397 -1.718 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081373981 685976726 /nfs/dbraw/zinc/97/67/26/685976726.db2.gz OLIOGKXPKVOADF-GXTWGEPZSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081373982 685976865 /nfs/dbraw/zinc/97/68/65/685976865.db2.gz OLIOGKXPKVOADF-JSGCOSHPSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081373983 685976748 /nfs/dbraw/zinc/97/67/48/685976748.db2.gz OLIOGKXPKVOADF-OCCSQVGLSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081373984 685976878 /nfs/dbraw/zinc/97/68/78/685976878.db2.gz OLIOGKXPKVOADF-TZMCWYRMSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081374717 685977315 /nfs/dbraw/zinc/97/73/15/685977315.db2.gz YITCRMSMOZRKHG-GXTWGEPZSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081374718 685977357 /nfs/dbraw/zinc/97/73/57/685977357.db2.gz YITCRMSMOZRKHG-JSGCOSHPSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081374719 685977326 /nfs/dbraw/zinc/97/73/26/685977326.db2.gz YITCRMSMOZRKHG-OCCSQVGLSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081374720 685977380 /nfs/dbraw/zinc/97/73/80/685977380.db2.gz YITCRMSMOZRKHG-TZMCWYRMSA-N 1 0 335.408 -1.017 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001081390589 685979606 /nfs/dbraw/zinc/97/96/06/685979606.db2.gz CABUXIGJECGNLL-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001081390590 685979602 /nfs/dbraw/zinc/97/96/02/685979602.db2.gz CABUXIGJECGNLL-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001081390591 685979733 /nfs/dbraw/zinc/97/97/33/685979733.db2.gz CABUXIGJECGNLL-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001081390592 685979718 /nfs/dbraw/zinc/97/97/18/685979718.db2.gz CABUXIGJECGNLL-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)[C@H](O)C1 ZINC001081418599 685982971 /nfs/dbraw/zinc/98/29/71/685982971.db2.gz ALWGXQHGTKIIDJ-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001081418600 685983045 /nfs/dbraw/zinc/98/30/45/685983045.db2.gz ALWGXQHGTKIIDJ-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001081418601 685982973 /nfs/dbraw/zinc/98/29/73/685982973.db2.gz ALWGXQHGTKIIDJ-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001081418602 685983084 /nfs/dbraw/zinc/98/30/84/685983084.db2.gz ALWGXQHGTKIIDJ-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001081419927 685984469 /nfs/dbraw/zinc/98/44/69/685984469.db2.gz RCZBTQYPKBCDNE-KBPBESRZSA-N 1 0 342.440 -1.794 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001081419928 685984592 /nfs/dbraw/zinc/98/45/92/685984592.db2.gz RCZBTQYPKBCDNE-KGLIPLIRSA-N 1 0 342.440 -1.794 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001081419929 685984479 /nfs/dbraw/zinc/98/44/79/685984479.db2.gz RCZBTQYPKBCDNE-UONOGXRCSA-N 1 0 342.440 -1.794 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001081419930 685984587 /nfs/dbraw/zinc/98/45/87/685984587.db2.gz RCZBTQYPKBCDNE-ZIAGYGMSSA-N 1 0 342.440 -1.794 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001081424187 685986177 /nfs/dbraw/zinc/98/61/77/685986177.db2.gz BKWFWKCDDIADJX-CHWSQXEVSA-N 1 0 342.440 -1.212 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001081424188 685986220 /nfs/dbraw/zinc/98/62/20/685986220.db2.gz BKWFWKCDDIADJX-OLZOCXBDSA-N 1 0 342.440 -1.212 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001081424189 685986243 /nfs/dbraw/zinc/98/62/43/685986243.db2.gz BKWFWKCDDIADJX-QWHCGFSZSA-N 1 0 342.440 -1.212 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001081424190 685986163 /nfs/dbraw/zinc/98/61/63/685986163.db2.gz BKWFWKCDDIADJX-STQMWFEESA-N 1 0 342.440 -1.212 20 0 EAADRO CNC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081424403 685986524 /nfs/dbraw/zinc/98/65/24/685986524.db2.gz FAVFYOLNMKAHDY-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081424404 685986499 /nfs/dbraw/zinc/98/64/99/685986499.db2.gz FAVFYOLNMKAHDY-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081424405 685986380 /nfs/dbraw/zinc/98/63/80/685986380.db2.gz FAVFYOLNMKAHDY-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081424406 685986464 /nfs/dbraw/zinc/98/64/64/685986464.db2.gz FAVFYOLNMKAHDY-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001081424529 685986506 /nfs/dbraw/zinc/98/65/06/685986506.db2.gz GNUUMBGZBPTGGI-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001081424530 685986495 /nfs/dbraw/zinc/98/64/95/685986495.db2.gz GNUUMBGZBPTGGI-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001081424531 685986484 /nfs/dbraw/zinc/98/64/84/685986484.db2.gz GNUUMBGZBPTGGI-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001081424532 685986447 /nfs/dbraw/zinc/98/64/47/685986447.db2.gz GNUUMBGZBPTGGI-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001081424629 685986645 /nfs/dbraw/zinc/98/66/45/685986645.db2.gz HLAFAEKPVPNZDJ-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001081424630 685986770 /nfs/dbraw/zinc/98/67/70/685986770.db2.gz HLAFAEKPVPNZDJ-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001081424631 685986855 /nfs/dbraw/zinc/98/68/55/685986855.db2.gz HLAFAEKPVPNZDJ-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001081424632 685986823 /nfs/dbraw/zinc/98/68/23/685986823.db2.gz HLAFAEKPVPNZDJ-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081424813 685986981 /nfs/dbraw/zinc/98/69/81/685986981.db2.gz JZTIOQHWYPFSBY-CHWSQXEVSA-N 1 0 340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081424814 685986967 /nfs/dbraw/zinc/98/69/67/685986967.db2.gz JZTIOQHWYPFSBY-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081424815 685987048 /nfs/dbraw/zinc/98/70/48/685987048.db2.gz JZTIOQHWYPFSBY-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081424816 685987111 /nfs/dbraw/zinc/98/71/11/685987111.db2.gz JZTIOQHWYPFSBY-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081425281 685987610 /nfs/dbraw/zinc/98/76/10/685987610.db2.gz PWALOJYULHNAOY-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081425282 685987520 /nfs/dbraw/zinc/98/75/20/685987520.db2.gz PWALOJYULHNAOY-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081425283 685987620 /nfs/dbraw/zinc/98/76/20/685987620.db2.gz PWALOJYULHNAOY-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081425284 685987665 /nfs/dbraw/zinc/98/76/65/685987665.db2.gz PWALOJYULHNAOY-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)c1N ZINC001081425913 685988271 /nfs/dbraw/zinc/98/82/71/685988271.db2.gz YESPLQAFMYXQIA-CMPLNLGQSA-N 1 0 338.412 -1.497 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)c1N ZINC001081425914 685988236 /nfs/dbraw/zinc/98/82/36/685988236.db2.gz YESPLQAFMYXQIA-JQWIXIFHSA-N 1 0 338.412 -1.497 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)c1N ZINC001081425915 685988319 /nfs/dbraw/zinc/98/83/19/685988319.db2.gz YESPLQAFMYXQIA-PWSUYJOCSA-N 1 0 338.412 -1.497 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)c1N ZINC001081425916 685988275 /nfs/dbraw/zinc/98/82/75/685988275.db2.gz YESPLQAFMYXQIA-ZYHUDNBSSA-N 1 0 338.412 -1.497 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC(=O)NCC)[C@H](O)C1 ZINC001081425921 685988206 /nfs/dbraw/zinc/98/82/06/685988206.db2.gz YGXLRMQVNKIXSO-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NCC)C1 ZINC001081425922 685988325 /nfs/dbraw/zinc/98/83/25/685988325.db2.gz YGXLRMQVNKIXSO-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NCC)C1 ZINC001081425923 685988183 /nfs/dbraw/zinc/98/81/83/685988183.db2.gz YGXLRMQVNKIXSO-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(=O)NCC)C1 ZINC001081425924 685988127 /nfs/dbraw/zinc/98/81/27/685988127.db2.gz YGXLRMQVNKIXSO-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081425985 685988759 /nfs/dbraw/zinc/98/87/59/685988759.db2.gz YUEOMUISYYGUEK-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081425986 685988696 /nfs/dbraw/zinc/98/86/96/685988696.db2.gz YUEOMUISYYGUEK-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081425987 685988800 /nfs/dbraw/zinc/98/88/00/685988800.db2.gz YUEOMUISYYGUEK-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081425988 685988623 /nfs/dbraw/zinc/98/86/23/685988623.db2.gz YUEOMUISYYGUEK-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001081428997 685990422 /nfs/dbraw/zinc/99/04/22/685990422.db2.gz YXEBAMHZNZVQPJ-GHMZBOCLSA-N 1 0 340.384 -2.129 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001081428998 685990433 /nfs/dbraw/zinc/99/04/33/685990433.db2.gz YXEBAMHZNZVQPJ-MNOVXSKESA-N 1 0 340.384 -2.129 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001081428999 685990462 /nfs/dbraw/zinc/99/04/62/685990462.db2.gz YXEBAMHZNZVQPJ-QWRGUYRKSA-N 1 0 340.384 -2.129 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001081429000 685990308 /nfs/dbraw/zinc/99/03/08/685990308.db2.gz YXEBAMHZNZVQPJ-WDEREUQCSA-N 1 0 340.384 -2.129 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NC)C1 ZINC001081432536 685993835 /nfs/dbraw/zinc/99/38/35/685993835.db2.gz AYUROKLDLIJPKZ-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001081432537 685993734 /nfs/dbraw/zinc/99/37/34/685993734.db2.gz AYUROKLDLIJPKZ-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001081432538 685993850 /nfs/dbraw/zinc/99/38/50/685993850.db2.gz AYUROKLDLIJPKZ-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CC(=O)NC)[C@H](O)C1 ZINC001081432539 685993797 /nfs/dbraw/zinc/99/37/97/685993797.db2.gz AYUROKLDLIJPKZ-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1O ZINC001081432942 685994188 /nfs/dbraw/zinc/99/41/88/685994188.db2.gz FNQSPZBDINPXHJ-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001081432943 685994106 /nfs/dbraw/zinc/99/41/06/685994106.db2.gz FNQSPZBDINPXHJ-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1O ZINC001081432944 685994248 /nfs/dbraw/zinc/99/42/48/685994248.db2.gz FNQSPZBDINPXHJ-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001081432945 685994225 /nfs/dbraw/zinc/99/42/25/685994225.db2.gz FNQSPZBDINPXHJ-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001081432959 685994122 /nfs/dbraw/zinc/99/41/22/685994122.db2.gz FQEQWOVGELWVET-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC001081432961 685994109 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CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001081452890 685996000 /nfs/dbraw/zinc/99/60/00/685996000.db2.gz MRYAFQUTIZXAMZ-RYUDHWBXSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001081452891 685996070 /nfs/dbraw/zinc/99/60/70/685996070.db2.gz MRYAFQUTIZXAMZ-VXGBXAGGSA-N 1 0 338.412 -1.296 20 0 EAADRO Cn1cnc(C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)n1 ZINC001081452952 685996225 /nfs/dbraw/zinc/99/62/25/685996225.db2.gz NSLGLBMUIUUVRN-NEPJUHHUSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)n1 ZINC001081452953 685996229 /nfs/dbraw/zinc/99/62/29/685996229.db2.gz NSLGLBMUIUUVRN-NWDGAFQWSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)n1 ZINC001081452954 685996164 /nfs/dbraw/zinc/99/61/64/685996164.db2.gz NSLGLBMUIUUVRN-RYUDHWBXSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)n1 ZINC001081452955 685996104 /nfs/dbraw/zinc/99/61/04/685996104.db2.gz NSLGLBMUIUUVRN-VXGBXAGGSA-N 1 0 338.412 -1.294 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001081453044 685996022 /nfs/dbraw/zinc/99/60/22/685996022.db2.gz PAODQIBSASBQEP-AAEUAGOBSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001081453045 685995975 /nfs/dbraw/zinc/99/59/75/685995975.db2.gz PAODQIBSASBQEP-DGCLKSJQSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001081453046 685996218 /nfs/dbraw/zinc/99/62/18/685996218.db2.gz PAODQIBSASBQEP-WCQYABFASA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001081453047 685996148 /nfs/dbraw/zinc/99/61/48/685996148.db2.gz PAODQIBSASBQEP-YPMHNXCESA-N 1 0 338.412 -1.296 20 0 EAADRO CCn1nncc1C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081453076 685995978 /nfs/dbraw/zinc/99/59/78/685995978.db2.gz PGQVZTNXGPFHTI-AAEUAGOBSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1nncc1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081453077 685995953 /nfs/dbraw/zinc/99/59/53/685995953.db2.gz PGQVZTNXGPFHTI-DGCLKSJQSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1nncc1C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081453078 685996007 /nfs/dbraw/zinc/99/60/07/685996007.db2.gz PGQVZTNXGPFHTI-WCQYABFASA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1nncc1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081453079 685995957 /nfs/dbraw/zinc/99/59/57/685995957.db2.gz PGQVZTNXGPFHTI-YPMHNXCESA-N 1 0 338.412 -1.201 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001081453088 685996115 /nfs/dbraw/zinc/99/61/15/685996115.db2.gz PKUSJPNIVPVRDH-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001081453089 685996125 /nfs/dbraw/zinc/99/61/25/685996125.db2.gz PKUSJPNIVPVRDH-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001081453090 685996183 /nfs/dbraw/zinc/99/61/83/685996183.db2.gz PKUSJPNIVPVRDH-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001081453091 685995964 /nfs/dbraw/zinc/99/59/64/685995964.db2.gz PKUSJPNIVPVRDH-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001081453108 685996082 /nfs/dbraw/zinc/99/60/82/685996082.db2.gz PUEBDOICIVLCKJ-NEPJUHHUSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001081453109 685996089 /nfs/dbraw/zinc/99/60/89/685996089.db2.gz PUEBDOICIVLCKJ-NWDGAFQWSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001081453110 685996168 /nfs/dbraw/zinc/99/61/68/685996168.db2.gz PUEBDOICIVLCKJ-RYUDHWBXSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001081453111 685996137 /nfs/dbraw/zinc/99/61/37/685996137.db2.gz PUEBDOICIVLCKJ-VXGBXAGGSA-N 1 0 338.412 -1.294 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081454720 685996893 /nfs/dbraw/zinc/99/68/93/685996893.db2.gz DPGRPWVVPNGUKG-NEPJUHHUSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081454721 685997035 /nfs/dbraw/zinc/99/70/35/685997035.db2.gz DPGRPWVVPNGUKG-NWDGAFQWSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081454722 685996898 /nfs/dbraw/zinc/99/68/98/685996898.db2.gz DPGRPWVVPNGUKG-RYUDHWBXSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081454723 685996906 /nfs/dbraw/zinc/99/69/06/685996906.db2.gz DPGRPWVVPNGUKG-VXGBXAGGSA-N 1 0 343.428 -1.807 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001081455400 685997891 /nfs/dbraw/zinc/99/78/91/685997891.db2.gz MEQYEHLOPXZXBY-NEPJUHHUSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001081455401 685997773 /nfs/dbraw/zinc/99/77/73/685997773.db2.gz MEQYEHLOPXZXBY-NWDGAFQWSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001081455402 685997916 /nfs/dbraw/zinc/99/79/16/685997916.db2.gz MEQYEHLOPXZXBY-RYUDHWBXSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001081455403 685997757 /nfs/dbraw/zinc/99/77/57/685997757.db2.gz MEQYEHLOPXZXBY-VXGBXAGGSA-N 1 0 339.396 -1.463 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)o1 ZINC001081456280 685999220 /nfs/dbraw/zinc/99/92/20/685999220.db2.gz XMYDIILCXDYRPJ-NEPJUHHUSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)o1 ZINC001081456281 685999157 /nfs/dbraw/zinc/99/91/57/685999157.db2.gz XMYDIILCXDYRPJ-NWDGAFQWSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)o1 ZINC001081456282 685999150 /nfs/dbraw/zinc/99/91/50/685999150.db2.gz XMYDIILCXDYRPJ-RYUDHWBXSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)o1 ZINC001081456283 685999072 /nfs/dbraw/zinc/99/90/72/685999072.db2.gz XMYDIILCXDYRPJ-VXGBXAGGSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)[nH]1 ZINC001081477855 686009124 /nfs/dbraw/zinc/00/91/24/686009124.db2.gz YQPXAUCLXPZPSN-NEPJUHHUSA-N 1 0 338.412 -1.457 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)[nH]1 ZINC001081477856 686009236 /nfs/dbraw/zinc/00/92/36/686009236.db2.gz YQPXAUCLXPZPSN-NWDGAFQWSA-N 1 0 338.412 -1.457 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)[nH]1 ZINC001081477857 686009094 /nfs/dbraw/zinc/00/90/94/686009094.db2.gz YQPXAUCLXPZPSN-RYUDHWBXSA-N 1 0 338.412 -1.457 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)[nH]1 ZINC001081477858 686009450 /nfs/dbraw/zinc/00/94/50/686009450.db2.gz YQPXAUCLXPZPSN-VXGBXAGGSA-N 1 0 338.412 -1.457 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479059 686009751 /nfs/dbraw/zinc/00/97/51/686009751.db2.gz AZAHUTVVZUUBAJ-NEPJUHHUSA-N 1 0 343.428 -1.678 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479060 686009920 /nfs/dbraw/zinc/00/99/20/686009920.db2.gz AZAHUTVVZUUBAJ-NWDGAFQWSA-N 1 0 343.428 -1.678 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479061 686009882 /nfs/dbraw/zinc/00/98/82/686009882.db2.gz AZAHUTVVZUUBAJ-RYUDHWBXSA-N 1 0 343.428 -1.678 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001081479062 686009705 /nfs/dbraw/zinc/00/97/05/686009705.db2.gz AZAHUTVVZUUBAJ-VXGBXAGGSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001081479243 686009713 /nfs/dbraw/zinc/00/97/13/686009713.db2.gz CAAJZKUZDBAORU-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479244 686009761 /nfs/dbraw/zinc/00/97/61/686009761.db2.gz CAAJZKUZDBAORU-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479245 686009820 /nfs/dbraw/zinc/00/98/20/686009820.db2.gz CAAJZKUZDBAORU-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479246 686010008 /nfs/dbraw/zinc/01/00/08/686010008.db2.gz CAAJZKUZDBAORU-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479400 686009772 /nfs/dbraw/zinc/00/97/72/686009772.db2.gz CPRSTGSZVJAFRV-NEPJUHHUSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479401 686009727 /nfs/dbraw/zinc/00/97/27/686009727.db2.gz CPRSTGSZVJAFRV-NWDGAFQWSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081479402 686010002 /nfs/dbraw/zinc/01/00/02/686010002.db2.gz 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NC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081479712 686010701 /nfs/dbraw/zinc/01/07/01/686010701.db2.gz HWDCDWQRGDRSOX-NEPJUHHUSA-N 1 0 341.412 -1.924 20 0 EAADRO NC(=O)NCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081479713 686011159 /nfs/dbraw/zinc/01/11/59/686011159.db2.gz HWDCDWQRGDRSOX-NWDGAFQWSA-N 1 0 341.412 -1.924 20 0 EAADRO NC(=O)NCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081479714 686010952 /nfs/dbraw/zinc/01/09/52/686010952.db2.gz HWDCDWQRGDRSOX-RYUDHWBXSA-N 1 0 341.412 -1.924 20 0 EAADRO NC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081479715 686010863 /nfs/dbraw/zinc/01/08/63/686010863.db2.gz HWDCDWQRGDRSOX-VXGBXAGGSA-N 1 0 341.412 -1.924 20 0 EAADRO Cn1ccc(CC(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)n1 ZINC001081479928 686011451 /nfs/dbraw/zinc/01/14/51/686011451.db2.gz KQILFZVEMSKXDP-DZGCQCFKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)n1 ZINC001081479929 686011559 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ZINC001081480881 686013484 /nfs/dbraw/zinc/01/34/84/686013484.db2.gz WSNJVQYFCCCBHV-NEPJUHHUSA-N 1 0 343.428 -1.680 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081480882 686013900 /nfs/dbraw/zinc/01/39/00/686013900.db2.gz WSNJVQYFCCCBHV-NWDGAFQWSA-N 1 0 343.428 -1.680 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001081480883 686013657 /nfs/dbraw/zinc/01/36/57/686013657.db2.gz WSNJVQYFCCCBHV-RYUDHWBXSA-N 1 0 343.428 -1.680 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001081480884 686013923 /nfs/dbraw/zinc/01/39/23/686013923.db2.gz WSNJVQYFCCCBHV-VXGBXAGGSA-N 1 0 343.428 -1.680 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC001081485202 686016602 /nfs/dbraw/zinc/01/66/02/686016602.db2.gz GOGBBDYTNLFPHM-CHWSQXEVSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC001081485203 686016660 /nfs/dbraw/zinc/01/66/60/686016660.db2.gz 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C[NH+]1CCC(CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC001081486410 686017432 /nfs/dbraw/zinc/01/74/32/686017432.db2.gz RQUFZYIZUVXGPW-VXGBXAGGSA-N 1 0 326.397 -1.861 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081495932 686027830 /nfs/dbraw/zinc/02/78/30/686027830.db2.gz CRZWDLOZAWFITH-CHWSQXEVSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081495933 686028295 /nfs/dbraw/zinc/02/82/95/686028295.db2.gz CRZWDLOZAWFITH-OLZOCXBDSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081495934 686028430 /nfs/dbraw/zinc/02/84/30/686028430.db2.gz CRZWDLOZAWFITH-QWHCGFSZSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081495935 686028315 /nfs/dbraw/zinc/02/83/15/686028315.db2.gz CRZWDLOZAWFITH-STQMWFEESA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001081496268 686028608 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340.424 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081496334 686028510 /nfs/dbraw/zinc/02/85/10/686028510.db2.gz ITYDUBCWVVPCTC-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081496335 686028337 /nfs/dbraw/zinc/02/83/37/686028337.db2.gz ITYDUBCWVVPCTC-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001081496684 686028994 /nfs/dbraw/zinc/02/89/94/686028994.db2.gz NLINOTOAKOVVSO-CHWSQXEVSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001081496685 686028946 /nfs/dbraw/zinc/02/89/46/686028946.db2.gz NLINOTOAKOVVSO-OLZOCXBDSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001081496686 686029016 /nfs/dbraw/zinc/02/90/16/686029016.db2.gz NLINOTOAKOVVSO-QWHCGFSZSA-N 1 0 342.440 -1.258 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001081496687 686028863 /nfs/dbraw/zinc/02/88/63/686028863.db2.gz NLINOTOAKOVVSO-STQMWFEESA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081496752 686028849 /nfs/dbraw/zinc/02/88/49/686028849.db2.gz OMGCCWAZPVQHGK-NEPJUHHUSA-N 1 0 328.413 -1.648 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081496753 686029496 /nfs/dbraw/zinc/02/94/96/686029496.db2.gz OMGCCWAZPVQHGK-NWDGAFQWSA-N 1 0 328.413 -1.648 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081496754 686029442 /nfs/dbraw/zinc/02/94/42/686029442.db2.gz OMGCCWAZPVQHGK-RYUDHWBXSA-N 1 0 328.413 -1.648 20 0 EAADRO CN(C)C(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081496755 686029577 /nfs/dbraw/zinc/02/95/77/686029577.db2.gz OMGCCWAZPVQHGK-VXGBXAGGSA-N 1 0 328.413 -1.648 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001081497308 686029963 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340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498421 686030551 /nfs/dbraw/zinc/03/05/51/686030551.db2.gz AMCPDMDNZLDBCO-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498422 686030425 /nfs/dbraw/zinc/03/04/25/686030425.db2.gz AMCPDMDNZLDBCO-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001081498423 686030503 /nfs/dbraw/zinc/03/05/03/686030503.db2.gz AMHVOYHYHZYXSI-CHWSQXEVSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC001081498424 686030713 /nfs/dbraw/zinc/03/07/13/686030713.db2.gz AMHVOYHYHZYXSI-OLZOCXBDSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001081498425 686030519 /nfs/dbraw/zinc/03/05/19/686030519.db2.gz AMHVOYHYHZYXSI-QWHCGFSZSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC001081498426 686030481 /nfs/dbraw/zinc/03/04/81/686030481.db2.gz AMHVOYHYHZYXSI-STQMWFEESA-N 1 0 335.408 -1.017 20 0 EAADRO Cn1cc(CC(=O)N2C[C@H](O)[C@H](CNC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001081498495 686030568 /nfs/dbraw/zinc/03/05/68/686030568.db2.gz BKOSVXJGIKUIMB-CABCVRRESA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2C[C@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001081498496 686030534 /nfs/dbraw/zinc/03/05/34/686030534.db2.gz BKOSVXJGIKUIMB-GJZGRUSLSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](O)C2)cn1 ZINC001081498497 686030640 /nfs/dbraw/zinc/03/06/40/686030640.db2.gz BKOSVXJGIKUIMB-HUUCEWRRSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001081498498 686030405 /nfs/dbraw/zinc/03/04/05/686030405.db2.gz BKOSVXJGIKUIMB-LSDHHAIUSA-N 1 0 349.435 -1.006 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498551 686030542 /nfs/dbraw/zinc/03/05/42/686030542.db2.gz CGGGWYNQNHZHHZ-NEPJUHHUSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498552 686030398 /nfs/dbraw/zinc/03/03/98/686030398.db2.gz CGGGWYNQNHZHHZ-NWDGAFQWSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498553 686030646 /nfs/dbraw/zinc/03/06/46/686030646.db2.gz CGGGWYNQNHZHHZ-RYUDHWBXSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081498554 686030490 /nfs/dbraw/zinc/03/04/90/686030490.db2.gz CGGGWYNQNHZHHZ-VXGBXAGGSA-N 1 0 326.397 -1.846 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC001081498579 686030559 /nfs/dbraw/zinc/03/05/59/686030559.db2.gz CMIWGQXONJOUCY-GHMZBOCLSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081498580 686030554 /nfs/dbraw/zinc/03/05/54/686030554.db2.gz CMIWGQXONJOUCY-MNOVXSKESA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081498581 686030427 /nfs/dbraw/zinc/03/04/27/686030427.db2.gz CMIWGQXONJOUCY-QWRGUYRKSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081498582 686030749 /nfs/dbraw/zinc/03/07/49/686030749.db2.gz CMIWGQXONJOUCY-WDEREUQCSA-N 1 0 337.384 -2.145 20 0 EAADRO COCCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498739 686030620 /nfs/dbraw/zinc/03/06/20/686030620.db2.gz DVXZSNCEAHALEK-KBPBESRZSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498740 686030472 /nfs/dbraw/zinc/03/04/72/686030472.db2.gz DVXZSNCEAHALEK-KGLIPLIRSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498741 686030654 /nfs/dbraw/zinc/03/06/54/686030654.db2.gz DVXZSNCEAHALEK-UONOGXRCSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCOCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081498742 686030633 /nfs/dbraw/zinc/03/06/33/686030633.db2.gz DVXZSNCEAHALEK-ZIAGYGMSSA-N 1 0 343.424 -1.319 20 0 EAADRO Cn1cc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001081498831 686031471 /nfs/dbraw/zinc/03/14/71/686031471.db2.gz FPKFRRGJQJRAKW-AAEUAGOBSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](O)C2)nn1 ZINC001081498832 686030999 /nfs/dbraw/zinc/03/09/99/686030999.db2.gz FPKFRRGJQJRAKW-DGCLKSJQSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001081498833 686031297 /nfs/dbraw/zinc/03/12/97/686031297.db2.gz FPKFRRGJQJRAKW-WCQYABFASA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001081498834 686031052 /nfs/dbraw/zinc/03/10/52/686031052.db2.gz FPKFRRGJQJRAKW-YPMHNXCESA-N 1 0 336.396 -1.540 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498875 686031008 /nfs/dbraw/zinc/03/10/08/686031008.db2.gz FZYZEYSCHJQITE-NEPJUHHUSA-N 1 0 347.437 -1.938 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498876 686030972 /nfs/dbraw/zinc/03/09/72/686030972.db2.gz FZYZEYSCHJQITE-NWDGAFQWSA-N 1 0 347.437 -1.938 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498877 686031329 /nfs/dbraw/zinc/03/13/29/686031329.db2.gz FZYZEYSCHJQITE-RYUDHWBXSA-N 1 0 347.437 -1.938 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081498878 686031417 /nfs/dbraw/zinc/03/14/17/686031417.db2.gz FZYZEYSCHJQITE-VXGBXAGGSA-N 1 0 347.437 -1.938 20 0 EAADRO Nc1nccnc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498935 686031344 /nfs/dbraw/zinc/03/13/44/686031344.db2.gz GSJOMQAAWIRDDH-NEPJUHHUSA-N 1 0 348.407 -1.296 20 0 EAADRO Nc1nccnc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498936 686031272 /nfs/dbraw/zinc/03/12/72/686031272.db2.gz GSJOMQAAWIRDDH-NWDGAFQWSA-N 1 0 348.407 -1.296 20 0 EAADRO Nc1nccnc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498937 686031436 /nfs/dbraw/zinc/03/14/36/686031436.db2.gz GSJOMQAAWIRDDH-RYUDHWBXSA-N 1 0 348.407 -1.296 20 0 EAADRO Nc1nccnc1C(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081498938 686031277 /nfs/dbraw/zinc/03/12/77/686031277.db2.gz GSJOMQAAWIRDDH-VXGBXAGGSA-N 1 0 348.407 -1.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O ZINC001081498943 686031254 /nfs/dbraw/zinc/03/12/54/686031254.db2.gz GVAHQSBBAINIAT-CHWSQXEVSA-N 1 0 339.392 -1.094 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O ZINC001081498944 686030989 /nfs/dbraw/zinc/03/09/89/686030989.db2.gz GVAHQSBBAINIAT-OLZOCXBDSA-N 1 0 339.392 -1.094 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1O ZINC001081498945 686031478 /nfs/dbraw/zinc/03/14/78/686031478.db2.gz GVAHQSBBAINIAT-QWHCGFSZSA-N 1 0 339.392 -1.094 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O ZINC001081498946 686031333 /nfs/dbraw/zinc/03/13/33/686031333.db2.gz GVAHQSBBAINIAT-STQMWFEESA-N 1 0 339.392 -1.094 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498951 686031289 /nfs/dbraw/zinc/03/12/89/686031289.db2.gz GYUWXQVAWCAFJG-AAEUAGOBSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081498952 686031204 /nfs/dbraw/zinc/03/12/04/686031204.db2.gz GYUWXQVAWCAFJG-DGCLKSJQSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498953 686031375 /nfs/dbraw/zinc/03/13/75/686031375.db2.gz GYUWXQVAWCAFJG-WCQYABFASA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498954 686031141 /nfs/dbraw/zinc/03/11/41/686031141.db2.gz GYUWXQVAWCAFJG-YPMHNXCESA-N 1 0 336.396 -1.540 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O ZINC001081498995 686031369 /nfs/dbraw/zinc/03/13/69/686031369.db2.gz HMWCNKNBBBQCKT-KBPBESRZSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O ZINC001081498996 686031199 /nfs/dbraw/zinc/03/11/99/686031199.db2.gz HMWCNKNBBBQCKT-KGLIPLIRSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC001081498997 686031350 /nfs/dbraw/zinc/03/13/50/686031350.db2.gz HMWCNKNBBBQCKT-UONOGXRCSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC001081498998 686031192 /nfs/dbraw/zinc/03/11/92/686031192.db2.gz HMWCNKNBBBQCKT-ZIAGYGMSSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081499007 686031182 /nfs/dbraw/zinc/03/11/82/686031182.db2.gz HQCXOIVMTHLOAY-NEPJUHHUSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081499008 686031109 /nfs/dbraw/zinc/03/11/09/686031109.db2.gz HQCXOIVMTHLOAY-NWDGAFQWSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081499009 686031209 /nfs/dbraw/zinc/03/12/09/686031209.db2.gz HQCXOIVMTHLOAY-RYUDHWBXSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081499010 686031338 /nfs/dbraw/zinc/03/13/38/686031338.db2.gz HQCXOIVMTHLOAY-VXGBXAGGSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O ZINC001081499119 686031134 /nfs/dbraw/zinc/03/11/34/686031134.db2.gz IYNMEUVDPCAJLO-CABCVRRESA-N 1 0 348.403 -1.035 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O ZINC001081499120 686031016 /nfs/dbraw/zinc/03/10/16/686031016.db2.gz IYNMEUVDPCAJLO-GJZGRUSLSA-N 1 0 348.403 -1.035 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O ZINC001081499121 686031387 /nfs/dbraw/zinc/03/13/87/686031387.db2.gz IYNMEUVDPCAJLO-HUUCEWRRSA-N 1 0 348.403 -1.035 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O ZINC001081499122 686031306 /nfs/dbraw/zinc/03/13/06/686031306.db2.gz IYNMEUVDPCAJLO-LSDHHAIUSA-N 1 0 348.403 -1.035 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001081499127 686031459 /nfs/dbraw/zinc/03/14/59/686031459.db2.gz JAQBWRGTISWCPR-CHWSQXEVSA-N 1 0 342.440 -1.260 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001081499128 686031323 /nfs/dbraw/zinc/03/13/23/686031323.db2.gz JAQBWRGTISWCPR-OLZOCXBDSA-N 1 0 342.440 -1.260 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001081499129 686031357 /nfs/dbraw/zinc/03/13/57/686031357.db2.gz JAQBWRGTISWCPR-QWHCGFSZSA-N 1 0 342.440 -1.260 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001081499130 686031261 /nfs/dbraw/zinc/03/12/61/686031261.db2.gz JAQBWRGTISWCPR-STQMWFEESA-N 1 0 342.440 -1.260 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O ZINC001081499131 686031093 /nfs/dbraw/zinc/03/10/93/686031093.db2.gz JBISYMAZJCRLCA-GXTWGEPZSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O ZINC001081499132 686031154 /nfs/dbraw/zinc/03/11/54/686031154.db2.gz JBISYMAZJCRLCA-JSGCOSHPSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O ZINC001081499133 686031443 /nfs/dbraw/zinc/03/14/43/686031443.db2.gz JBISYMAZJCRLCA-OCCSQVGLSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O ZINC001081499134 686031234 /nfs/dbraw/zinc/03/12/34/686031234.db2.gz JBISYMAZJCRLCA-TZMCWYRMSA-N 1 0 335.408 -1.017 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499167 686031056 /nfs/dbraw/zinc/03/10/56/686031056.db2.gz JIQVILVBTJTJRS-NEPJUHHUSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499168 686031063 /nfs/dbraw/zinc/03/10/63/686031063.db2.gz JIQVILVBTJTJRS-NWDGAFQWSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499169 686031401 /nfs/dbraw/zinc/03/14/01/686031401.db2.gz JIQVILVBTJTJRS-RYUDHWBXSA-N 1 0 336.396 -1.242 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081499170 686031125 /nfs/dbraw/zinc/03/11/25/686031125.db2.gz JIQVILVBTJTJRS-VXGBXAGGSA-N 1 0 336.396 -1.242 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081499187 686031381 /nfs/dbraw/zinc/03/13/81/686031381.db2.gz JRNKURNOQLOAFO-CHWSQXEVSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499188 686031189 /nfs/dbraw/zinc/03/11/89/686031189.db2.gz JRNKURNOQLOAFO-OLZOCXBDSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499189 686031219 /nfs/dbraw/zinc/03/12/19/686031219.db2.gz JRNKURNOQLOAFO-QWHCGFSZSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499190 686031171 /nfs/dbraw/zinc/03/11/71/686031171.db2.gz JRNKURNOQLOAFO-STQMWFEESA-N 1 0 326.397 -1.846 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC001081499235 686031226 /nfs/dbraw/zinc/03/12/26/686031226.db2.gz KJXKKFRVOKAZBR-AAEUAGOBSA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O ZINC001081499236 686031148 /nfs/dbraw/zinc/03/11/48/686031148.db2.gz KJXKKFRVOKAZBR-DGCLKSJQSA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O ZINC001081499237 686031084 /nfs/dbraw/zinc/03/10/84/686031084.db2.gz KJXKKFRVOKAZBR-WCQYABFASA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O ZINC001081499238 686031073 /nfs/dbraw/zinc/03/10/73/686031073.db2.gz KJXKKFRVOKAZBR-YPMHNXCESA-N 1 0 349.391 -1.173 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499403 686031422 /nfs/dbraw/zinc/03/14/22/686031422.db2.gz LKFVWNGKWAVUOA-KBPBESRZSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499404 686031115 /nfs/dbraw/zinc/03/11/15/686031115.db2.gz LKFVWNGKWAVUOA-KGLIPLIRSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499405 686031036 /nfs/dbraw/zinc/03/10/36/686031036.db2.gz LKFVWNGKWAVUOA-UONOGXRCSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081499406 686031024 /nfs/dbraw/zinc/03/10/24/686031024.db2.gz LKFVWNGKWAVUOA-ZIAGYGMSSA-N 1 0 340.424 -1.504 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081499891 686032155 /nfs/dbraw/zinc/03/21/55/686032155.db2.gz PSRIEPRKFDYOCD-DZGCQCFKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@H](O)[C@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081499892 686031989 /nfs/dbraw/zinc/03/19/89/686031989.db2.gz PSRIEPRKFDYOCD-HIFRSBDPSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC001081499893 686032030 /nfs/dbraw/zinc/03/20/30/686032030.db2.gz PSRIEPRKFDYOCD-UKRRQHHQSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081499894 686032064 /nfs/dbraw/zinc/03/20/64/686032064.db2.gz PSRIEPRKFDYOCD-ZFWWWQNUSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499900 686032167 /nfs/dbraw/zinc/03/21/67/686032167.db2.gz PUCOUCXGZFOTPU-DZGCQCFKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499901 686032103 /nfs/dbraw/zinc/03/21/03/686032103.db2.gz PUCOUCXGZFOTPU-HIFRSBDPSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081499902 686032259 /nfs/dbraw/zinc/03/22/59/686032259.db2.gz PUCOUCXGZFOTPU-UKRRQHHQSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081499903 686031972 /nfs/dbraw/zinc/03/19/72/686031972.db2.gz PUCOUCXGZFOTPU-ZFWWWQNUSA-N 1 0 349.435 -1.006 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081500139 686032179 /nfs/dbraw/zinc/03/21/79/686032179.db2.gz RNHCNJMRBDEXCF-CHWSQXEVSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500140 686032039 /nfs/dbraw/zinc/03/20/39/686032039.db2.gz RNHCNJMRBDEXCF-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500141 686032047 /nfs/dbraw/zinc/03/20/47/686032047.db2.gz RNHCNJMRBDEXCF-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500143 686032010 /nfs/dbraw/zinc/03/20/10/686032010.db2.gz RNHCNJMRBDEXCF-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081500157 686031942 /nfs/dbraw/zinc/03/19/42/686031942.db2.gz RPNCWAAXWLTMJV-GHMZBOCLSA-N 1 0 327.385 -2.314 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500158 686032218 /nfs/dbraw/zinc/03/22/18/686032218.db2.gz RPNCWAAXWLTMJV-MNOVXSKESA-N 1 0 327.385 -2.314 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500159 686031949 /nfs/dbraw/zinc/03/19/49/686031949.db2.gz RPNCWAAXWLTMJV-QWRGUYRKSA-N 1 0 327.385 -2.314 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500160 686031857 /nfs/dbraw/zinc/03/18/57/686031857.db2.gz RPNCWAAXWLTMJV-WDEREUQCSA-N 1 0 327.385 -2.314 20 0 EAADRO Cn1cnc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081500295 686031954 /nfs/dbraw/zinc/03/19/54/686031954.db2.gz SGXLFMXKMJLKGW-NEPJUHHUSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081500296 686032023 /nfs/dbraw/zinc/03/20/23/686032023.db2.gz SGXLFMXKMJLKGW-NWDGAFQWSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081500297 686031969 /nfs/dbraw/zinc/03/19/69/686031969.db2.gz SGXLFMXKMJLKGW-RYUDHWBXSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC001081500298 686032274 /nfs/dbraw/zinc/03/22/74/686032274.db2.gz SGXLFMXKMJLKGW-VXGBXAGGSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500307 686031963 /nfs/dbraw/zinc/03/19/63/686031963.db2.gz SKFQJKRUYAXDOL-DZGCQCFKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500308 686032288 /nfs/dbraw/zinc/03/22/88/686032288.db2.gz SKFQJKRUYAXDOL-HIFRSBDPSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081500309 686031833 /nfs/dbraw/zinc/03/18/33/686031833.db2.gz SKFQJKRUYAXDOL-UKRRQHHQSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500310 686032134 /nfs/dbraw/zinc/03/21/34/686032134.db2.gz SKFQJKRUYAXDOL-ZFWWWQNUSA-N 1 0 349.435 -1.006 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC001081500323 686032015 /nfs/dbraw/zinc/03/20/15/686032015.db2.gz SQBXVPMADVXIDJ-KBPBESRZSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC001081500324 686031979 /nfs/dbraw/zinc/03/19/79/686031979.db2.gz SQBXVPMADVXIDJ-KGLIPLIRSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001081500325 686032002 /nfs/dbraw/zinc/03/20/02/686032002.db2.gz SQBXVPMADVXIDJ-UONOGXRCSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001081500326 686032240 /nfs/dbraw/zinc/03/22/40/686032240.db2.gz SQBXVPMADVXIDJ-ZIAGYGMSSA-N 1 0 335.408 -1.086 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500763 686031907 /nfs/dbraw/zinc/03/19/07/686031907.db2.gz VWRILMIVPPJDSS-NEPJUHHUSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500764 686031995 /nfs/dbraw/zinc/03/19/95/686031995.db2.gz VWRILMIVPPJDSS-NWDGAFQWSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500765 686032797 /nfs/dbraw/zinc/03/27/97/686032797.db2.gz VWRILMIVPPJDSS-RYUDHWBXSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081500766 686032600 /nfs/dbraw/zinc/03/26/00/686032600.db2.gz VWRILMIVPPJDSS-VXGBXAGGSA-N 1 0 341.412 -2.053 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081501108 686032840 /nfs/dbraw/zinc/03/28/40/686032840.db2.gz YLINYRZBXRHHGA-AAEUAGOBSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](O)C2)n1 ZINC001081501109 686032812 /nfs/dbraw/zinc/03/28/12/686032812.db2.gz YLINYRZBXRHHGA-DGCLKSJQSA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081501110 686032825 /nfs/dbraw/zinc/03/28/25/686032825.db2.gz YLINYRZBXRHHGA-WCQYABFASA-N 1 0 336.396 -1.540 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001081501111 686032800 /nfs/dbraw/zinc/03/28/00/686032800.db2.gz YLINYRZBXRHHGA-YPMHNXCESA-N 1 0 336.396 -1.540 20 0 EAADRO NC(=O)CCCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081501188 686032776 /nfs/dbraw/zinc/03/27/76/686032776.db2.gz ZMVSOWGPJTWDCA-CHWSQXEVSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501189 686032746 /nfs/dbraw/zinc/03/27/46/686032746.db2.gz ZMVSOWGPJTWDCA-OLZOCXBDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501190 686032738 /nfs/dbraw/zinc/03/27/38/686032738.db2.gz ZMVSOWGPJTWDCA-QWHCGFSZSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501191 686032771 /nfs/dbraw/zinc/03/27/71/686032771.db2.gz ZMVSOWGPJTWDCA-STQMWFEESA-N 1 0 340.424 -1.327 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1O ZINC001081501200 686032829 /nfs/dbraw/zinc/03/28/29/686032829.db2.gz ZRIBJWVXVHHPDK-JHZZJYKESA-N 1 0 337.420 -1.090 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1O ZINC001081501201 686032721 /nfs/dbraw/zinc/03/27/21/686032721.db2.gz ZRIBJWVXVHHPDK-NJURLYQPSA-N 1 0 337.420 -1.090 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O ZINC001081501202 686032527 /nfs/dbraw/zinc/03/25/27/686032527.db2.gz ZRIBJWVXVHHPDK-SSZWKKLZSA-N 1 0 337.420 -1.090 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O ZINC001081501203 686032784 /nfs/dbraw/zinc/03/27/84/686032784.db2.gz ZRIBJWVXVHHPDK-ZHMBSYLPSA-N 1 0 337.420 -1.090 20 0 EAADRO COC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501236 686032753 /nfs/dbraw/zinc/03/27/53/686032753.db2.gz ZZJFHDKVQQTGNO-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501237 686032684 /nfs/dbraw/zinc/03/26/84/686032684.db2.gz ZZJFHDKVQQTGNO-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501238 686032756 /nfs/dbraw/zinc/03/27/56/686032756.db2.gz ZZJFHDKVQQTGNO-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081501239 686032714 /nfs/dbraw/zinc/03/27/14/686032714.db2.gz ZZJFHDKVQQTGNO-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO NC(=O)NCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501359 686032791 /nfs/dbraw/zinc/03/27/91/686032791.db2.gz AICHZROFMSVWCZ-NEPJUHHUSA-N 1 0 341.412 -1.924 20 0 EAADRO NC(=O)NCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501360 686032619 /nfs/dbraw/zinc/03/26/19/686032619.db2.gz AICHZROFMSVWCZ-NWDGAFQWSA-N 1 0 341.412 -1.924 20 0 EAADRO NC(=O)NCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081501361 686032640 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ZINC001081503594 686034556 /nfs/dbraw/zinc/03/45/56/686034556.db2.gz QFQFUADVGZXWNM-NWDGAFQWSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001081503595 686034581 /nfs/dbraw/zinc/03/45/81/686034581.db2.gz QFQFUADVGZXWNM-RYUDHWBXSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001081503596 686034314 /nfs/dbraw/zinc/03/43/14/686034314.db2.gz QFQFUADVGZXWNM-VXGBXAGGSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC001081503597 686034470 /nfs/dbraw/zinc/03/44/70/686034470.db2.gz QHBVGNUUAASCOY-AAEUAGOBSA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001081503598 686034301 /nfs/dbraw/zinc/03/43/01/686034301.db2.gz QHBVGNUUAASCOY-DGCLKSJQSA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001081503599 686034768 /nfs/dbraw/zinc/03/47/68/686034768.db2.gz QHBVGNUUAASCOY-WCQYABFASA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC001081503600 686034754 /nfs/dbraw/zinc/03/47/54/686034754.db2.gz QHBVGNUUAASCOY-YPMHNXCESA-N 1 0 349.391 -1.173 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC001081503677 686034487 /nfs/dbraw/zinc/03/44/87/686034487.db2.gz RBIGQWHQETUXSF-AAEUAGOBSA-N 1 0 349.391 -1.585 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O ZINC001081503678 686034509 /nfs/dbraw/zinc/03/45/09/686034509.db2.gz RBIGQWHQETUXSF-DGCLKSJQSA-N 1 0 349.391 -1.585 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O ZINC001081503679 686034721 /nfs/dbraw/zinc/03/47/21/686034721.db2.gz RBIGQWHQETUXSF-WCQYABFASA-N 1 0 349.391 -1.585 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC001081503680 686034380 /nfs/dbraw/zinc/03/43/80/686034380.db2.gz RBIGQWHQETUXSF-YPMHNXCESA-N 1 0 349.391 -1.585 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081503941 686035197 /nfs/dbraw/zinc/03/51/97/686035197.db2.gz VAGCPIZQAMCOFE-CHWSQXEVSA-N 1 0 336.396 -1.691 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001081503942 686035232 /nfs/dbraw/zinc/03/52/32/686035232.db2.gz VAGCPIZQAMCOFE-OLZOCXBDSA-N 1 0 336.396 -1.691 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081503943 686035269 /nfs/dbraw/zinc/03/52/69/686035269.db2.gz VAGCPIZQAMCOFE-QWHCGFSZSA-N 1 0 336.396 -1.691 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001081503944 686034944 /nfs/dbraw/zinc/03/49/44/686034944.db2.gz VAGCPIZQAMCOFE-STQMWFEESA-N 1 0 336.396 -1.691 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001081504149 686035664 /nfs/dbraw/zinc/03/56/64/686035664.db2.gz XKFCILKMRFTVNC-CHWSQXEVSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001081504150 686035715 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340.424 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081504196 686035844 /nfs/dbraw/zinc/03/58/44/686035844.db2.gz XUKOQQUOJZSTBT-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O ZINC001081505051 686036472 /nfs/dbraw/zinc/03/64/72/686036472.db2.gz AQDLLVLYANMSDI-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O ZINC001081505052 686036321 /nfs/dbraw/zinc/03/63/21/686036321.db2.gz AQDLLVLYANMSDI-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O ZINC001081505053 686036242 /nfs/dbraw/zinc/03/62/42/686036242.db2.gz AQDLLVLYANMSDI-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O ZINC001081505054 686036417 /nfs/dbraw/zinc/03/64/17/686036417.db2.gz AQDLLVLYANMSDI-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081505083 686036197 /nfs/dbraw/zinc/03/61/97/686036197.db2.gz AZMIQYTWOVWYHD-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081505084 686036252 /nfs/dbraw/zinc/03/62/52/686036252.db2.gz AZMIQYTWOVWYHD-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081505085 686036309 /nfs/dbraw/zinc/03/63/09/686036309.db2.gz AZMIQYTWOVWYHD-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081505086 686036500 /nfs/dbraw/zinc/03/65/00/686036500.db2.gz AZMIQYTWOVWYHD-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O ZINC001081505275 686036132 /nfs/dbraw/zinc/03/61/32/686036132.db2.gz DELYSFUKARARBI-NEPJUHHUSA-N 1 0 344.412 -1.380 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(=O)OC)C[C@H]1O ZINC001081505276 686036357 /nfs/dbraw/zinc/03/63/57/686036357.db2.gz DELYSFUKARARBI-NWDGAFQWSA-N 1 0 344.412 -1.380 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O ZINC001081505277 686036504 /nfs/dbraw/zinc/03/65/04/686036504.db2.gz DELYSFUKARARBI-RYUDHWBXSA-N 1 0 344.412 -1.380 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1O ZINC001081505278 686036192 /nfs/dbraw/zinc/03/61/92/686036192.db2.gz DELYSFUKARARBI-VXGBXAGGSA-N 1 0 344.412 -1.380 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O ZINC001081505323 686036314 /nfs/dbraw/zinc/03/63/14/686036314.db2.gz DWOCEPXSDZMBEE-CHWSQXEVSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O ZINC001081505324 686036214 /nfs/dbraw/zinc/03/62/14/686036214.db2.gz DWOCEPXSDZMBEE-OLZOCXBDSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1O ZINC001081505325 686036367 /nfs/dbraw/zinc/03/63/67/686036367.db2.gz DWOCEPXSDZMBEE-QWHCGFSZSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O ZINC001081505326 686036396 /nfs/dbraw/zinc/03/63/96/686036396.db2.gz DWOCEPXSDZMBEE-STQMWFEESA-N 1 0 328.413 -1.600 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001081505371 686036201 /nfs/dbraw/zinc/03/62/01/686036201.db2.gz FOASSSURZCXDFG-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081505372 686036449 /nfs/dbraw/zinc/03/64/49/686036449.db2.gz FOASSSURZCXDFG-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081505373 686036327 /nfs/dbraw/zinc/03/63/27/686036327.db2.gz FOASSSURZCXDFG-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081505374 686036532 /nfs/dbraw/zinc/03/65/32/686036532.db2.gz FOASSSURZCXDFG-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O ZINC001081505415 686036409 /nfs/dbraw/zinc/03/64/09/686036409.db2.gz FZVSNIJFHUENMP-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O ZINC001081505416 686036384 /nfs/dbraw/zinc/03/63/84/686036384.db2.gz FZVSNIJFHUENMP-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1O ZINC001081505417 686036461 /nfs/dbraw/zinc/03/64/61/686036461.db2.gz FZVSNIJFHUENMP-UONOGXRCSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1O ZINC001081505418 686036263 /nfs/dbraw/zinc/03/62/63/686036263.db2.gz FZVSNIJFHUENMP-ZIAGYGMSSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001081505427 686036401 /nfs/dbraw/zinc/03/64/01/686036401.db2.gz GDBHOZKKYINUFX-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001081505428 686036293 /nfs/dbraw/zinc/03/62/93/686036293.db2.gz GDBHOZKKYINUFX-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001081505429 686036285 /nfs/dbraw/zinc/03/62/85/686036285.db2.gz GDBHOZKKYINUFX-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001081505430 686036157 /nfs/dbraw/zinc/03/61/57/686036157.db2.gz GDBHOZKKYINUFX-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC(C)(C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCCC1 ZINC001081505611 686036453 /nfs/dbraw/zinc/03/64/53/686036453.db2.gz IIUCNSHSBVWBLO-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCCC1 ZINC001081505612 686036515 /nfs/dbraw/zinc/03/65/15/686036515.db2.gz IIUCNSHSBVWBLO-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCCC1 ZINC001081505613 686036225 /nfs/dbraw/zinc/03/62/25/686036225.db2.gz IIUCNSHSBVWBLO-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCCC1 ZINC001081505614 686036237 /nfs/dbraw/zinc/03/62/37/686036237.db2.gz IIUCNSHSBVWBLO-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001081505615 686036342 /nfs/dbraw/zinc/03/63/42/686036342.db2.gz IJLJTZBSKDGBLO-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001081505616 686036477 /nfs/dbraw/zinc/03/64/77/686036477.db2.gz IJLJTZBSKDGBLO-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001081505617 686036428 /nfs/dbraw/zinc/03/64/28/686036428.db2.gz IJLJTZBSKDGBLO-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001081505618 686036349 /nfs/dbraw/zinc/03/63/49/686036349.db2.gz IJLJTZBSKDGBLO-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O ZINC001081505667 686036333 /nfs/dbraw/zinc/03/63/33/686036333.db2.gz IYNNWCIKMSGIMT-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O ZINC001081505668 686036362 /nfs/dbraw/zinc/03/63/62/686036362.db2.gz IYNNWCIKMSGIMT-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O ZINC001081505669 686036522 /nfs/dbraw/zinc/03/65/22/686036522.db2.gz IYNNWCIKMSGIMT-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O ZINC001081505670 686036510 /nfs/dbraw/zinc/03/65/10/686036510.db2.gz IYNNWCIKMSGIMT-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O ZINC001081505840 686036941 /nfs/dbraw/zinc/03/69/41/686036941.db2.gz LEVNVCHLTGOMNJ-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001081505841 686036823 /nfs/dbraw/zinc/03/68/23/686036823.db2.gz LEVNVCHLTGOMNJ-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O ZINC001081505842 686036983 /nfs/dbraw/zinc/03/69/83/686036983.db2.gz LEVNVCHLTGOMNJ-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001081505843 686036967 /nfs/dbraw/zinc/03/69/67/686036967.db2.gz LEVNVCHLTGOMNJ-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O ZINC001081505852 686036947 /nfs/dbraw/zinc/03/69/47/686036947.db2.gz LIYLPLVIFXHWJH-CHWSQXEVSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O ZINC001081505853 686036897 /nfs/dbraw/zinc/03/68/97/686036897.db2.gz LIYLPLVIFXHWJH-OLZOCXBDSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O ZINC001081505854 686036854 /nfs/dbraw/zinc/03/68/54/686036854.db2.gz LIYLPLVIFXHWJH-QWHCGFSZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O ZINC001081505855 686036888 /nfs/dbraw/zinc/03/68/88/686036888.db2.gz LIYLPLVIFXHWJH-STQMWFEESA-N 1 0 342.440 -1.258 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1O ZINC001081505876 686036975 /nfs/dbraw/zinc/03/69/75/686036975.db2.gz LSDLENMYJOHLKS-NEPJUHHUSA-N 1 0 343.428 -1.807 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1O ZINC001081505877 686036795 /nfs/dbraw/zinc/03/67/95/686036795.db2.gz LSDLENMYJOHLKS-NWDGAFQWSA-N 1 0 343.428 -1.807 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1O ZINC001081505878 686036912 /nfs/dbraw/zinc/03/69/12/686036912.db2.gz LSDLENMYJOHLKS-RYUDHWBXSA-N 1 0 343.428 -1.807 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1O ZINC001081505879 686037004 /nfs/dbraw/zinc/03/70/04/686037004.db2.gz LSDLENMYJOHLKS-VXGBXAGGSA-N 1 0 343.428 -1.807 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081505916 686036765 /nfs/dbraw/zinc/03/67/65/686036765.db2.gz LYRJOBLKGHUEGP-CMPLNLGQSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081505917 686036929 /nfs/dbraw/zinc/03/69/29/686036929.db2.gz LYRJOBLKGHUEGP-JQWIXIFHSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081505918 686037067 /nfs/dbraw/zinc/03/70/67/686037067.db2.gz LYRJOBLKGHUEGP-PWSUYJOCSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081505919 686036787 /nfs/dbraw/zinc/03/67/87/686036787.db2.gz LYRJOBLKGHUEGP-ZYHUDNBSSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081506016 686037058 /nfs/dbraw/zinc/03/70/58/686037058.db2.gz NAUDVXFXGXHWCA-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001081506017 686036997 /nfs/dbraw/zinc/03/69/97/686036997.db2.gz NAUDVXFXGXHWCA-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081506018 686036937 /nfs/dbraw/zinc/03/69/37/686036937.db2.gz NAUDVXFXGXHWCA-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001081506019 686037076 /nfs/dbraw/zinc/03/70/76/686037076.db2.gz NAUDVXFXGXHWCA-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O ZINC001081506068 686036774 /nfs/dbraw/zinc/03/67/74/686036774.db2.gz NPOXPHUMPHCOSI-NEPJUHHUSA-N 1 0 343.428 -1.678 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1O ZINC001081506069 686036781 /nfs/dbraw/zinc/03/67/81/686036781.db2.gz NPOXPHUMPHCOSI-NWDGAFQWSA-N 1 0 343.428 -1.678 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O ZINC001081506070 686037011 /nfs/dbraw/zinc/03/70/11/686037011.db2.gz NPOXPHUMPHCOSI-RYUDHWBXSA-N 1 0 343.428 -1.678 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1O ZINC001081506071 686037081 /nfs/dbraw/zinc/03/70/81/686037081.db2.gz NPOXPHUMPHCOSI-VXGBXAGGSA-N 1 0 343.428 -1.678 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)COCCOC)C[C@@H]1O ZINC001081506080 686036961 /nfs/dbraw/zinc/03/69/61/686036961.db2.gz NXABLMSZRLIRDQ-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)COCCOC)C[C@@H]1O ZINC001081506081 686037034 /nfs/dbraw/zinc/03/70/34/686037034.db2.gz NXABLMSZRLIRDQ-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)COCCOC)C[C@H]1O ZINC001081506082 686036807 /nfs/dbraw/zinc/03/68/07/686036807.db2.gz NXABLMSZRLIRDQ-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)COCCOC)C[C@H]1O ZINC001081506083 686037025 /nfs/dbraw/zinc/03/70/25/686037025.db2.gz NXABLMSZRLIRDQ-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081506108 686036756 /nfs/dbraw/zinc/03/67/56/686036756.db2.gz OCJNGBGEOILNDQ-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081506109 686036866 /nfs/dbraw/zinc/03/68/66/686036866.db2.gz OCJNGBGEOILNDQ-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081506110 686037040 /nfs/dbraw/zinc/03/70/40/686037040.db2.gz OCJNGBGEOILNDQ-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081506111 686036917 /nfs/dbraw/zinc/03/69/17/686036917.db2.gz OCJNGBGEOILNDQ-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001081506156 686036879 /nfs/dbraw/zinc/03/68/79/686036879.db2.gz OQYKFQMRZHBYFD-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001081506157 686037129 /nfs/dbraw/zinc/03/71/29/686037129.db2.gz OQYKFQMRZHBYFD-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001081506158 686037112 /nfs/dbraw/zinc/03/71/12/686037112.db2.gz OQYKFQMRZHBYFD-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001081506159 686037118 /nfs/dbraw/zinc/03/71/18/686037118.db2.gz OQYKFQMRZHBYFD-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O ZINC001081506176 686037016 /nfs/dbraw/zinc/03/70/16/686037016.db2.gz OVYZEZQCZKSZLK-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O ZINC001081506177 686036950 /nfs/dbraw/zinc/03/69/50/686036950.db2.gz OVYZEZQCZKSZLK-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1O ZINC001081506178 686036956 /nfs/dbraw/zinc/03/69/56/686036956.db2.gz OVYZEZQCZKSZLK-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O ZINC001081506179 686037046 /nfs/dbraw/zinc/03/70/46/686037046.db2.gz OVYZEZQCZKSZLK-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001081506220 686036923 /nfs/dbraw/zinc/03/69/23/686036923.db2.gz PMSRNZBOGPEXBU-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081506221 686036801 /nfs/dbraw/zinc/03/68/01/686036801.db2.gz PMSRNZBOGPEXBU-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081506222 686036860 /nfs/dbraw/zinc/03/68/60/686036860.db2.gz PMSRNZBOGPEXBU-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081506223 686037135 /nfs/dbraw/zinc/03/71/35/686037135.db2.gz PMSRNZBOGPEXBU-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O ZINC001081506352 686036902 /nfs/dbraw/zinc/03/69/02/686036902.db2.gz RDTXVZBYIVMEOE-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC001081506353 686036990 /nfs/dbraw/zinc/03/69/90/686036990.db2.gz RDTXVZBYIVMEOE-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O ZINC001081506354 686036907 /nfs/dbraw/zinc/03/69/07/686036907.db2.gz RDTXVZBYIVMEOE-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC001081506355 686037103 /nfs/dbraw/zinc/03/71/03/686037103.db2.gz RDTXVZBYIVMEOE-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081506456 686036831 /nfs/dbraw/zinc/03/68/31/686036831.db2.gz SQKQHMJXLKQWDL-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081506457 686036892 /nfs/dbraw/zinc/03/68/92/686036892.db2.gz SQKQHMJXLKQWDL-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081506458 686037625 /nfs/dbraw/zinc/03/76/25/686037625.db2.gz SQKQHMJXLKQWDL-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081506459 686037504 /nfs/dbraw/zinc/03/75/04/686037504.db2.gz SQKQHMJXLKQWDL-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O ZINC001081506464 686037426 /nfs/dbraw/zinc/03/74/26/686037426.db2.gz SSEWVYVHGQOMCC-GHMZBOCLSA-N 1 0 339.400 -1.899 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O ZINC001081506465 686037522 /nfs/dbraw/zinc/03/75/22/686037522.db2.gz SSEWVYVHGQOMCC-MNOVXSKESA-N 1 0 339.400 -1.899 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O ZINC001081506466 686037508 /nfs/dbraw/zinc/03/75/08/686037508.db2.gz SSEWVYVHGQOMCC-QWRGUYRKSA-N 1 0 339.400 -1.899 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O ZINC001081506467 686037451 /nfs/dbraw/zinc/03/74/51/686037451.db2.gz SSEWVYVHGQOMCC-WDEREUQCSA-N 1 0 339.400 -1.899 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O ZINC001081506712 686037668 /nfs/dbraw/zinc/03/76/68/686037668.db2.gz VZECCYHLLQZXDH-NEPJUHHUSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O ZINC001081506713 686037564 /nfs/dbraw/zinc/03/75/64/686037564.db2.gz VZECCYHLLQZXDH-NWDGAFQWSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O ZINC001081506714 686037683 /nfs/dbraw/zinc/03/76/83/686037683.db2.gz VZECCYHLLQZXDH-RYUDHWBXSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O ZINC001081506715 686037558 /nfs/dbraw/zinc/03/75/58/686037558.db2.gz VZECCYHLLQZXDH-VXGBXAGGSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001081506720 686037660 /nfs/dbraw/zinc/03/76/60/686037660.db2.gz WAIQBKILCNALPI-NEPJUHHUSA-N 1 0 342.440 -1.225 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001081506721 686037574 /nfs/dbraw/zinc/03/75/74/686037574.db2.gz WAIQBKILCNALPI-NWDGAFQWSA-N 1 0 342.440 -1.225 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001081506722 686037468 /nfs/dbraw/zinc/03/74/68/686037468.db2.gz WAIQBKILCNALPI-RYUDHWBXSA-N 1 0 342.440 -1.225 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001081506723 686037704 /nfs/dbraw/zinc/03/77/04/686037704.db2.gz WAIQBKILCNALPI-VXGBXAGGSA-N 1 0 342.440 -1.225 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001081506792 686037695 /nfs/dbraw/zinc/03/76/95/686037695.db2.gz WWDMEZSUQBXFNG-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1O ZINC001081506793 686037529 /nfs/dbraw/zinc/03/75/29/686037529.db2.gz WWDMEZSUQBXFNG-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001081506794 686037596 /nfs/dbraw/zinc/03/75/96/686037596.db2.gz WWDMEZSUQBXFNG-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O ZINC001081506795 686037600 /nfs/dbraw/zinc/03/76/00/686037600.db2.gz WWDMEZSUQBXFNG-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081508800 686040609 /nfs/dbraw/zinc/04/06/09/686040609.db2.gz LVWSTOPSLFWVRT-NEPJUHHUSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081508801 686040504 /nfs/dbraw/zinc/04/05/04/686040504.db2.gz LVWSTOPSLFWVRT-NWDGAFQWSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081508802 686040412 /nfs/dbraw/zinc/04/04/12/686040412.db2.gz LVWSTOPSLFWVRT-RYUDHWBXSA-N 1 0 337.384 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081508803 686040372 /nfs/dbraw/zinc/04/03/72/686040372.db2.gz LVWSTOPSLFWVRT-VXGBXAGGSA-N 1 0 337.384 -2.296 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001081509078 686041688 /nfs/dbraw/zinc/04/16/88/686041688.db2.gz NRLYINBZRQXUFV-GHMZBOCLSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509079 686041747 /nfs/dbraw/zinc/04/17/47/686041747.db2.gz NRLYINBZRQXUFV-MNOVXSKESA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509080 686041523 /nfs/dbraw/zinc/04/15/23/686041523.db2.gz NRLYINBZRQXUFV-QWRGUYRKSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509081 686041628 /nfs/dbraw/zinc/04/16/28/686041628.db2.gz NRLYINBZRQXUFV-WDEREUQCSA-N 1 0 325.373 -2.440 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081509446 686043333 /nfs/dbraw/zinc/04/33/33/686043333.db2.gz SCPJSTDYASWDPK-NEPJUHHUSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081509447 686043283 /nfs/dbraw/zinc/04/32/83/686043283.db2.gz SCPJSTDYASWDPK-NWDGAFQWSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081509448 686043321 /nfs/dbraw/zinc/04/33/21/686043321.db2.gz SCPJSTDYASWDPK-RYUDHWBXSA-N 1 0 349.395 -2.296 20 0 EAADRO O=C(Cn1ncnn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081509449 686043196 /nfs/dbraw/zinc/04/31/96/686043196.db2.gz SCPJSTDYASWDPK-VXGBXAGGSA-N 1 0 349.395 -2.296 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509542 686043155 /nfs/dbraw/zinc/04/31/55/686043155.db2.gz UECAGIDETPZIMY-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509543 686043327 /nfs/dbraw/zinc/04/33/27/686043327.db2.gz UECAGIDETPZIMY-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509544 686043107 /nfs/dbraw/zinc/04/31/07/686043107.db2.gz UECAGIDETPZIMY-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001081509545 686043336 /nfs/dbraw/zinc/04/33/36/686043336.db2.gz UECAGIDETPZIMY-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509634 686043805 /nfs/dbraw/zinc/04/38/05/686043805.db2.gz VDORSJRUTKQUGJ-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509635 686043797 /nfs/dbraw/zinc/04/37/97/686043797.db2.gz VDORSJRUTKQUGJ-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509636 686044000 /nfs/dbraw/zinc/04/40/00/686044000.db2.gz VDORSJRUTKQUGJ-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001081509637 686043938 /nfs/dbraw/zinc/04/39/38/686043938.db2.gz VDORSJRUTKQUGJ-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509638 686043728 /nfs/dbraw/zinc/04/37/28/686043728.db2.gz VENYZAPGKZPVKF-NEPJUHHUSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509639 686043857 /nfs/dbraw/zinc/04/38/57/686043857.db2.gz VENYZAPGKZPVKF-NWDGAFQWSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509640 686043981 /nfs/dbraw/zinc/04/39/81/686043981.db2.gz VENYZAPGKZPVKF-RYUDHWBXSA-N 1 0 339.400 -2.051 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001081509641 686043962 /nfs/dbraw/zinc/04/39/62/686043962.db2.gz VENYZAPGKZPVKF-VXGBXAGGSA-N 1 0 339.400 -2.051 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509822 686045129 /nfs/dbraw/zinc/04/51/29/686045129.db2.gz XINQXABQOVOQBV-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509823 686044846 /nfs/dbraw/zinc/04/48/46/686044846.db2.gz XINQXABQOVOQBV-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509824 686044793 /nfs/dbraw/zinc/04/47/93/686044793.db2.gz XINQXABQOVOQBV-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001081509825 686044913 /nfs/dbraw/zinc/04/49/13/686044913.db2.gz XINQXABQOVOQBV-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001081509826 686045021 /nfs/dbraw/zinc/04/50/21/686045021.db2.gz XIYKALIBKRWDCR-CMPLNLGQSA-N 1 0 347.437 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001081509827 686045111 /nfs/dbraw/zinc/04/51/11/686045111.db2.gz XIYKALIBKRWDCR-JQWIXIFHSA-N 1 0 347.437 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001081509828 686044883 /nfs/dbraw/zinc/04/48/83/686044883.db2.gz XIYKALIBKRWDCR-PWSUYJOCSA-N 1 0 347.437 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001081509829 686044951 /nfs/dbraw/zinc/04/49/51/686044951.db2.gz XIYKALIBKRWDCR-ZYHUDNBSSA-N 1 0 347.437 -2.082 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509834 686045006 /nfs/dbraw/zinc/04/50/06/686045006.db2.gz XKYOCOGEENGIRA-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509835 686044868 /nfs/dbraw/zinc/04/48/68/686044868.db2.gz XKYOCOGEENGIRA-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001081509836 686044933 /nfs/dbraw/zinc/04/49/33/686044933.db2.gz XKYOCOGEENGIRA-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001081509837 686045039 /nfs/dbraw/zinc/04/50/39/686045039.db2.gz XKYOCOGEENGIRA-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)Cn2nccn2)[C@H](O)C1 ZINC001081517075 686048179 /nfs/dbraw/zinc/04/81/79/686048179.db2.gz MFBCQMAAJXRKOQ-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 ZINC001081517076 686048104 /nfs/dbraw/zinc/04/81/04/686048104.db2.gz MFBCQMAAJXRKOQ-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081517077 686048366 /nfs/dbraw/zinc/04/83/66/686048366.db2.gz MFBCQMAAJXRKOQ-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081517078 686048234 /nfs/dbraw/zinc/04/82/34/686048234.db2.gz MFBCQMAAJXRKOQ-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2nccn2)[C@H](O)C1 ZINC001081517655 686049438 /nfs/dbraw/zinc/04/94/38/686049438.db2.gz SNKMHWSGHAVUDZ-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 ZINC001081517656 686049390 /nfs/dbraw/zinc/04/93/90/686049390.db2.gz SNKMHWSGHAVUDZ-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081517657 686049255 /nfs/dbraw/zinc/04/92/55/686049255.db2.gz SNKMHWSGHAVUDZ-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081517658 686049357 /nfs/dbraw/zinc/04/93/57/686049357.db2.gz SNKMHWSGHAVUDZ-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO O=C(Cn1nccn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081518133 686049898 /nfs/dbraw/zinc/04/98/98/686049898.db2.gz ZUDYOEKVFPCECV-CHWSQXEVSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1nccn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081518134 686050052 /nfs/dbraw/zinc/05/00/52/686050052.db2.gz ZUDYOEKVFPCECV-OLZOCXBDSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1nccn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081518135 686050007 /nfs/dbraw/zinc/05/00/07/686050007.db2.gz ZUDYOEKVFPCECV-QWHCGFSZSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1nccn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081518136 686050084 /nfs/dbraw/zinc/05/00/84/686050084.db2.gz ZUDYOEKVFPCECV-STQMWFEESA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(Cn1nccn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081519150 686051262 /nfs/dbraw/zinc/05/12/62/686051262.db2.gz DFRNQHFHSPFTHO-CHWSQXEVSA-N 1 0 336.396 -1.691 20 0 EAADRO O=C(Cn1nccn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081519151 686051219 /nfs/dbraw/zinc/05/12/19/686051219.db2.gz DFRNQHFHSPFTHO-OLZOCXBDSA-N 1 0 336.396 -1.691 20 0 EAADRO O=C(Cn1nccn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081519152 686051362 /nfs/dbraw/zinc/05/13/62/686051362.db2.gz DFRNQHFHSPFTHO-QWHCGFSZSA-N 1 0 336.396 -1.691 20 0 EAADRO O=C(Cn1nccn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081519153 686051541 /nfs/dbraw/zinc/05/15/41/686051541.db2.gz DFRNQHFHSPFTHO-STQMWFEESA-N 1 0 336.396 -1.691 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)Cn2nccn2)[C@H](O)C1 ZINC001081519506 686051294 /nfs/dbraw/zinc/05/12/94/686051294.db2.gz HLAIFDHEWFSKEN-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 ZINC001081519507 686051246 /nfs/dbraw/zinc/05/12/46/686051246.db2.gz HLAIFDHEWFSKEN-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081519508 686051563 /nfs/dbraw/zinc/05/15/63/686051563.db2.gz HLAIFDHEWFSKEN-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081519509 686051439 /nfs/dbraw/zinc/05/14/39/686051439.db2.gz HLAIFDHEWFSKEN-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)Cn2nccn2)[C@H](O)C1 ZINC001081520258 686052953 /nfs/dbraw/zinc/05/29/53/686052953.db2.gz OUKMUJFEPMXDEU-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 ZINC001081520259 686052691 /nfs/dbraw/zinc/05/26/91/686052691.db2.gz OUKMUJFEPMXDEU-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081520260 686052538 /nfs/dbraw/zinc/05/25/38/686052538.db2.gz OUKMUJFEPMXDEU-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081520261 686052748 /nfs/dbraw/zinc/05/27/48/686052748.db2.gz OUKMUJFEPMXDEU-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2nccn2)[C@H](O)C1 ZINC001081520415 686052592 /nfs/dbraw/zinc/05/25/92/686052592.db2.gz PZXNIIWHUVUGHO-CHWSQXEVSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 ZINC001081520416 686052881 /nfs/dbraw/zinc/05/28/81/686052881.db2.gz PZXNIIWHUVUGHO-OLZOCXBDSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081520417 686052921 /nfs/dbraw/zinc/05/29/21/686052921.db2.gz PZXNIIWHUVUGHO-QWHCGFSZSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001081520418 686052702 /nfs/dbraw/zinc/05/27/02/686052702.db2.gz PZXNIIWHUVUGHO-STQMWFEESA-N 1 0 338.412 -1.446 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001081546911 686088858 /nfs/dbraw/zinc/08/88/58/686088858.db2.gz AXFABBIBKXLQKJ-NEPJUHHUSA-N 1 0 343.428 -1.807 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001081546912 686088781 /nfs/dbraw/zinc/08/87/81/686088781.db2.gz AXFABBIBKXLQKJ-NWDGAFQWSA-N 1 0 343.428 -1.807 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001081546913 686088810 /nfs/dbraw/zinc/08/88/10/686088810.db2.gz AXFABBIBKXLQKJ-RYUDHWBXSA-N 1 0 343.428 -1.807 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001081546914 686088774 /nfs/dbraw/zinc/08/87/74/686088774.db2.gz AXFABBIBKXLQKJ-VXGBXAGGSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081547195 686089700 /nfs/dbraw/zinc/08/97/00/686089700.db2.gz DZIRAAPBVORVFB-NEPJUHHUSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081547196 686089728 /nfs/dbraw/zinc/08/97/28/686089728.db2.gz DZIRAAPBVORVFB-NWDGAFQWSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081547197 686089708 /nfs/dbraw/zinc/08/97/08/686089708.db2.gz DZIRAAPBVORVFB-RYUDHWBXSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081547198 686089812 /nfs/dbraw/zinc/08/98/12/686089812.db2.gz DZIRAAPBVORVFB-VXGBXAGGSA-N 1 0 343.428 -1.807 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001081547219 686089495 /nfs/dbraw/zinc/08/94/95/686089495.db2.gz FCRQKEDLKSCWNH-NEPJUHHUSA-N 1 0 343.428 -1.807 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001081547220 686089568 /nfs/dbraw/zinc/08/95/68/686089568.db2.gz FCRQKEDLKSCWNH-NWDGAFQWSA-N 1 0 343.428 -1.807 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001081547221 686089518 /nfs/dbraw/zinc/08/95/18/686089518.db2.gz FCRQKEDLKSCWNH-RYUDHWBXSA-N 1 0 343.428 -1.807 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001081547222 686089777 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JTOYMOWYNXKEMW-QWHCGFSZSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001081553487 686061722 /nfs/dbraw/zinc/06/17/22/686061722.db2.gz JTOYMOWYNXKEMW-STQMWFEESA-N 1 0 338.412 -1.446 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001081553628 686061831 /nfs/dbraw/zinc/06/18/31/686061831.db2.gz LPEKRMLXZONQTM-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001081553629 686061545 /nfs/dbraw/zinc/06/15/45/686061545.db2.gz LPEKRMLXZONQTM-OLZOCXBDSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001081553630 686061596 /nfs/dbraw/zinc/06/15/96/686061596.db2.gz LPEKRMLXZONQTM-QWHCGFSZSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001081553631 686061407 /nfs/dbraw/zinc/06/14/07/686061407.db2.gz LPEKRMLXZONQTM-STQMWFEESA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081553764 686061868 /nfs/dbraw/zinc/06/18/68/686061868.db2.gz NCTWTTKNXKDWNG-CMPLNLGQSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081553765 686061572 /nfs/dbraw/zinc/06/15/72/686061572.db2.gz NCTWTTKNXKDWNG-JQWIXIFHSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081553766 686061365 /nfs/dbraw/zinc/06/13/65/686061365.db2.gz NCTWTTKNXKDWNG-PWSUYJOCSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081553767 686061645 /nfs/dbraw/zinc/06/16/45/686061645.db2.gz NCTWTTKNXKDWNG-ZYHUDNBSSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O ZINC001081553796 686061628 /nfs/dbraw/zinc/06/16/28/686061628.db2.gz NOUZUMDAEOVUNV-CHWSQXEVSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC001081553797 686061948 /nfs/dbraw/zinc/06/19/48/686061948.db2.gz NOUZUMDAEOVUNV-OLZOCXBDSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O ZINC001081553798 686061896 /nfs/dbraw/zinc/06/18/96/686061896.db2.gz NOUZUMDAEOVUNV-QWHCGFSZSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC001081553799 686061609 /nfs/dbraw/zinc/06/16/09/686061609.db2.gz NOUZUMDAEOVUNV-STQMWFEESA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081553928 686061910 /nfs/dbraw/zinc/06/19/10/686061910.db2.gz PCVUUIGOMBBEJX-NEPJUHHUSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081553929 686061664 /nfs/dbraw/zinc/06/16/64/686061664.db2.gz PCVUUIGOMBBEJX-NWDGAFQWSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081553930 686061502 /nfs/dbraw/zinc/06/15/02/686061502.db2.gz PCVUUIGOMBBEJX-RYUDHWBXSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081553931 686061741 /nfs/dbraw/zinc/06/17/41/686061741.db2.gz PCVUUIGOMBBEJX-VXGBXAGGSA-N 1 0 340.424 -1.472 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001081553940 686061436 /nfs/dbraw/zinc/06/14/36/686061436.db2.gz PHQZMKTYKVTEQY-NEPJUHHUSA-N 1 0 343.428 -1.809 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001081553941 686061285 /nfs/dbraw/zinc/06/12/85/686061285.db2.gz PHQZMKTYKVTEQY-NWDGAFQWSA-N 1 0 343.428 -1.809 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001081553942 686061306 /nfs/dbraw/zinc/06/13/06/686061306.db2.gz PHQZMKTYKVTEQY-RYUDHWBXSA-N 1 0 343.428 -1.809 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001081553943 686061462 /nfs/dbraw/zinc/06/14/62/686061462.db2.gz PHQZMKTYKVTEQY-VXGBXAGGSA-N 1 0 343.428 -1.809 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CCC1 ZINC001081554160 686062103 /nfs/dbraw/zinc/06/21/03/686062103.db2.gz SEYRKCGYZLSRIM-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CCC1 ZINC001081554161 686062758 /nfs/dbraw/zinc/06/27/58/686062758.db2.gz SEYRKCGYZLSRIM-MNOVXSKESA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CCC1 ZINC001081554162 686062427 /nfs/dbraw/zinc/06/24/27/686062427.db2.gz SEYRKCGYZLSRIM-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CCC1 ZINC001081554163 686062785 /nfs/dbraw/zinc/06/27/85/686062785.db2.gz SEYRKCGYZLSRIM-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O ZINC001081554236 686062138 /nfs/dbraw/zinc/06/21/38/686062138.db2.gz TUTHNOODTKWIGH-GHMZBOCLSA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O ZINC001081554237 686062188 /nfs/dbraw/zinc/06/21/88/686062188.db2.gz TUTHNOODTKWIGH-MNOVXSKESA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O ZINC001081554238 686062169 /nfs/dbraw/zinc/06/21/69/686062169.db2.gz TUTHNOODTKWIGH-QWRGUYRKSA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O ZINC001081554239 686062312 /nfs/dbraw/zinc/06/23/12/686062312.db2.gz TUTHNOODTKWIGH-WDEREUQCSA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081554541 686062447 /nfs/dbraw/zinc/06/24/47/686062447.db2.gz WRDGRDBXKKQGOQ-CHWSQXEVSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001081554542 686062599 /nfs/dbraw/zinc/06/25/99/686062599.db2.gz WRDGRDBXKKQGOQ-OLZOCXBDSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081554544 686062376 /nfs/dbraw/zinc/06/23/76/686062376.db2.gz WRDGRDBXKKQGOQ-QWHCGFSZSA-N 1 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C[NH+](C)C1(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)CCC1 ZINC001081554732 686062231 /nfs/dbraw/zinc/06/22/31/686062231.db2.gz YPUJGCHTTOJIRX-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2O)CCC1 ZINC001081554733 686062397 /nfs/dbraw/zinc/06/23/97/686062397.db2.gz YPUJGCHTTOJIRX-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2O)CCC1 ZINC001081554734 686062725 /nfs/dbraw/zinc/06/27/25/686062725.db2.gz YPUJGCHTTOJIRX-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)CCC1 ZINC001081554735 686062767 /nfs/dbraw/zinc/06/27/67/686062767.db2.gz YPUJGCHTTOJIRX-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001081555511 686062982 /nfs/dbraw/zinc/06/29/82/686062982.db2.gz CDTKDRXVRPNOBL-NEPJUHHUSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001081555512 686063067 /nfs/dbraw/zinc/06/30/67/686063067.db2.gz CDTKDRXVRPNOBL-NWDGAFQWSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001081555513 686063465 /nfs/dbraw/zinc/06/34/65/686063465.db2.gz CDTKDRXVRPNOBL-RYUDHWBXSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001081555514 686063482 /nfs/dbraw/zinc/06/34/82/686063482.db2.gz CDTKDRXVRPNOBL-VXGBXAGGSA-N 1 0 337.380 -1.317 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081556003 686063367 /nfs/dbraw/zinc/06/33/67/686063367.db2.gz IRGQUFJFKYVDGC-GHMZBOCLSA-N 1 0 339.396 -1.075 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081556004 686063029 /nfs/dbraw/zinc/06/30/29/686063029.db2.gz IRGQUFJFKYVDGC-MNOVXSKESA-N 1 0 339.396 -1.075 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081556005 686063300 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CN(CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001081569771 686074868 /nfs/dbraw/zinc/07/48/68/686074868.db2.gz SZOGJVQEYMOAFH-WCQYABFASA-N 1 0 349.391 -1.671 20 0 EAADRO CN(CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001081569772 686074807 /nfs/dbraw/zinc/07/48/07/686074807.db2.gz SZOGJVQEYMOAFH-YPMHNXCESA-N 1 0 349.391 -1.671 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O ZINC001081571447 686075424 /nfs/dbraw/zinc/07/54/24/686075424.db2.gz ITQDKSCUYIBZBJ-CHWSQXEVSA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O ZINC001081571448 686075360 /nfs/dbraw/zinc/07/53/60/686075360.db2.gz ITQDKSCUYIBZBJ-OLZOCXBDSA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1O ZINC001081571449 686075540 /nfs/dbraw/zinc/07/55/40/686075540.db2.gz ITQDKSCUYIBZBJ-QWHCGFSZSA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O ZINC001081571450 686075413 /nfs/dbraw/zinc/07/54/13/686075413.db2.gz ITQDKSCUYIBZBJ-STQMWFEESA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081571455 686075524 /nfs/dbraw/zinc/07/55/24/686075524.db2.gz IXMCMOVNLCEKIM-GHMZBOCLSA-N 1 0 343.428 -1.680 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081571456 686075434 /nfs/dbraw/zinc/07/54/34/686075434.db2.gz IXMCMOVNLCEKIM-MNOVXSKESA-N 1 0 343.428 -1.680 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081571457 686075487 /nfs/dbraw/zinc/07/54/87/686075487.db2.gz IXMCMOVNLCEKIM-QWRGUYRKSA-N 1 0 343.428 -1.680 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081571458 686075370 /nfs/dbraw/zinc/07/53/70/686075370.db2.gz IXMCMOVNLCEKIM-WDEREUQCSA-N 1 0 343.428 -1.680 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081571535 686075873 /nfs/dbraw/zinc/07/58/73/686075873.db2.gz JSTQBIFQHWKZLT-GHMZBOCLSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081571536 686076161 /nfs/dbraw/zinc/07/61/61/686076161.db2.gz JSTQBIFQHWKZLT-MNOVXSKESA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081571537 686076043 /nfs/dbraw/zinc/07/60/43/686076043.db2.gz JSTQBIFQHWKZLT-QWRGUYRKSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081571538 686075927 /nfs/dbraw/zinc/07/59/27/686075927.db2.gz JSTQBIFQHWKZLT-WDEREUQCSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001081571723 686076181 /nfs/dbraw/zinc/07/61/81/686076181.db2.gz LSBPHMBWFKRVGM-NEPJUHHUSA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1O ZINC001081571724 686075890 /nfs/dbraw/zinc/07/58/90/686075890.db2.gz LSBPHMBWFKRVGM-NWDGAFQWSA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001081571725 686076261 /nfs/dbraw/zinc/07/62/61/686076261.db2.gz LSBPHMBWFKRVGM-RYUDHWBXSA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O ZINC001081571726 686076197 /nfs/dbraw/zinc/07/61/97/686076197.db2.gz LSBPHMBWFKRVGM-VXGBXAGGSA-N 1 0 342.440 -1.212 20 0 EAADRO Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081574081 686076631 /nfs/dbraw/zinc/07/66/31/686076631.db2.gz CFAILNPTTPSARG-GHMZBOCLSA-N 1 0 325.369 -1.121 20 0 EAADRO Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081574082 686076519 /nfs/dbraw/zinc/07/65/19/686076519.db2.gz CFAILNPTTPSARG-MNOVXSKESA-N 1 0 325.369 -1.121 20 0 EAADRO Cc1nonc1C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081574083 686076609 /nfs/dbraw/zinc/07/66/09/686076609.db2.gz CFAILNPTTPSARG-QWRGUYRKSA-N 1 0 325.369 -1.121 20 0 EAADRO Cc1nonc1C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081574084 686076712 /nfs/dbraw/zinc/07/67/12/686076712.db2.gz CFAILNPTTPSARG-WDEREUQCSA-N 1 0 325.369 -1.121 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001081574389 686076534 /nfs/dbraw/zinc/07/65/34/686076534.db2.gz HDOSACIRCRCWKV-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001081574390 686076721 /nfs/dbraw/zinc/07/67/21/686076721.db2.gz HDOSACIRCRCWKV-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081574391 686076666 /nfs/dbraw/zinc/07/66/66/686076666.db2.gz HDOSACIRCRCWKV-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081574392 686076813 /nfs/dbraw/zinc/07/68/13/686076813.db2.gz HDOSACIRCRCWKV-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO COCCOCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081574705 686077124 /nfs/dbraw/zinc/07/71/24/686077124.db2.gz KLFNSVZIDMHGLI-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCOCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081574706 686077307 /nfs/dbraw/zinc/07/73/07/686077307.db2.gz KLFNSVZIDMHGLI-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCOCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081574707 686077117 /nfs/dbraw/zinc/07/71/17/686077117.db2.gz KLFNSVZIDMHGLI-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCOCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081574708 686077182 /nfs/dbraw/zinc/07/71/82/686077182.db2.gz KLFNSVZIDMHGLI-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001081574957 686077267 /nfs/dbraw/zinc/07/72/67/686077267.db2.gz NKXOBRNVEWEKCY-CHWSQXEVSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001081574958 686077247 /nfs/dbraw/zinc/07/72/47/686077247.db2.gz NKXOBRNVEWEKCY-OLZOCXBDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001081574959 686077294 /nfs/dbraw/zinc/07/72/94/686077294.db2.gz NKXOBRNVEWEKCY-QWHCGFSZSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001081574960 686077152 /nfs/dbraw/zinc/07/71/52/686077152.db2.gz NKXOBRNVEWEKCY-STQMWFEESA-N 1 0 340.424 -1.327 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001081575195 686077188 /nfs/dbraw/zinc/07/71/88/686077188.db2.gz QENIVPDCHFDRME-CHWSQXEVSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001081575196 686077269 /nfs/dbraw/zinc/07/72/69/686077269.db2.gz QENIVPDCHFDRME-OLZOCXBDSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081575197 686077159 /nfs/dbraw/zinc/07/71/59/686077159.db2.gz QENIVPDCHFDRME-QWHCGFSZSA-N 1 0 342.440 -1.082 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081575198 686077193 /nfs/dbraw/zinc/07/71/93/686077193.db2.gz QENIVPDCHFDRME-STQMWFEESA-N 1 0 342.440 -1.082 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2O)CC1 ZINC001081575709 686077825 /nfs/dbraw/zinc/07/78/25/686077825.db2.gz YAPQPQOOFSEEGO-NEPJUHHUSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)CC1 ZINC001081575710 686077761 /nfs/dbraw/zinc/07/77/61/686077761.db2.gz YAPQPQOOFSEEGO-NWDGAFQWSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2O)CC1 ZINC001081575711 686077795 /nfs/dbraw/zinc/07/77/95/686077795.db2.gz YAPQPQOOFSEEGO-RYUDHWBXSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)CC1 ZINC001081575712 686077765 /nfs/dbraw/zinc/07/77/65/686077765.db2.gz YAPQPQOOFSEEGO-VXGBXAGGSA-N 1 0 341.412 -2.068 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081575845 686077835 /nfs/dbraw/zinc/07/78/35/686077835.db2.gz ZJJGEJNFRCXZTK-KBPBESRZSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081575846 686077784 /nfs/dbraw/zinc/07/77/84/686077784.db2.gz ZJJGEJNFRCXZTK-KGLIPLIRSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081575847 686077791 /nfs/dbraw/zinc/07/77/91/686077791.db2.gz ZJJGEJNFRCXZTK-UONOGXRCSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001081575848 686077793 /nfs/dbraw/zinc/07/77/93/686077793.db2.gz ZJJGEJNFRCXZTK-ZIAGYGMSSA-N 1 0 340.424 -1.600 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001081576604 686078373 /nfs/dbraw/zinc/07/83/73/686078373.db2.gz CJPYOQXMNOLUBU-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001081576605 686078368 /nfs/dbraw/zinc/07/83/68/686078368.db2.gz CJPYOQXMNOLUBU-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081576606 686078404 /nfs/dbraw/zinc/07/84/04/686078404.db2.gz CJPYOQXMNOLUBU-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081576607 686078294 /nfs/dbraw/zinc/07/82/94/686078294.db2.gz CJPYOQXMNOLUBU-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001081577236 686078948 /nfs/dbraw/zinc/07/89/48/686078948.db2.gz LAINLTKWYMCVBT-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081577237 686079613 /nfs/dbraw/zinc/07/96/13/686079613.db2.gz LAINLTKWYMCVBT-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081577238 686079548 /nfs/dbraw/zinc/07/95/48/686079548.db2.gz LAINLTKWYMCVBT-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081577239 686079542 /nfs/dbraw/zinc/07/95/42/686079542.db2.gz LAINLTKWYMCVBT-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO NC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081577324 686079355 /nfs/dbraw/zinc/07/93/55/686079355.db2.gz LWECOYVWIWOBIB-CHWSQXEVSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081577325 686079648 /nfs/dbraw/zinc/07/96/48/686079648.db2.gz LWECOYVWIWOBIB-OLZOCXBDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081577326 686079496 /nfs/dbraw/zinc/07/94/96/686079496.db2.gz LWECOYVWIWOBIB-QWHCGFSZSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081577327 686079630 /nfs/dbraw/zinc/07/96/30/686079630.db2.gz LWECOYVWIWOBIB-STQMWFEESA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001081577348 686079505 /nfs/dbraw/zinc/07/95/05/686079505.db2.gz MDWADVMKGCJMPN-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001081577349 686079377 /nfs/dbraw/zinc/07/93/77/686079377.db2.gz MDWADVMKGCJMPN-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081577350 686079379 /nfs/dbraw/zinc/07/93/79/686079379.db2.gz MDWADVMKGCJMPN-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081577351 686079386 /nfs/dbraw/zinc/07/93/86/686079386.db2.gz MDWADVMKGCJMPN-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001081577832 686080166 /nfs/dbraw/zinc/08/01/66/686080166.db2.gz SVPSTXOREDBADO-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001081577833 686080010 /nfs/dbraw/zinc/08/00/10/686080010.db2.gz SVPSTXOREDBADO-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081577834 686080114 /nfs/dbraw/zinc/08/01/14/686080114.db2.gz SVPSTXOREDBADO-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081577835 686080179 /nfs/dbraw/zinc/08/01/79/686080179.db2.gz SVPSTXOREDBADO-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001081578004 686080787 /nfs/dbraw/zinc/08/07/87/686080787.db2.gz VSFIAZBRIYRTSI-NEPJUHHUSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081578005 686080618 /nfs/dbraw/zinc/08/06/18/686080618.db2.gz VSFIAZBRIYRTSI-NWDGAFQWSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001081578006 686080708 /nfs/dbraw/zinc/08/07/08/686080708.db2.gz VSFIAZBRIYRTSI-RYUDHWBXSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001081578007 686080700 /nfs/dbraw/zinc/08/07/00/686080700.db2.gz VSFIAZBRIYRTSI-VXGBXAGGSA-N 1 0 328.413 -1.471 20 0 EAADRO O=C(Cn1ccnc1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081581025 686083764 /nfs/dbraw/zinc/08/37/64/686083764.db2.gz WAQXAWSFORRCCJ-KBPBESRZSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(Cn1ccnc1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081581026 686083798 /nfs/dbraw/zinc/08/37/98/686083798.db2.gz WAQXAWSFORRCCJ-KGLIPLIRSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(Cn1ccnc1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081581027 686083817 /nfs/dbraw/zinc/08/38/17/686083817.db2.gz WAQXAWSFORRCCJ-UONOGXRCSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(Cn1ccnc1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081581028 686083952 /nfs/dbraw/zinc/08/39/52/686083952.db2.gz WAQXAWSFORRCCJ-ZIAGYGMSSA-N 1 0 335.408 -1.086 20 0 EAADRO O=C(Cn1ccnc1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081581197 686084227 /nfs/dbraw/zinc/08/42/27/686084227.db2.gz YHHSUFBASGVWLK-KBPBESRZSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1ccnc1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081581198 686084279 /nfs/dbraw/zinc/08/42/79/686084279.db2.gz YHHSUFBASGVWLK-KGLIPLIRSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1ccnc1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081581199 686084173 /nfs/dbraw/zinc/08/41/73/686084173.db2.gz YHHSUFBASGVWLK-UONOGXRCSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C(Cn1ccnc1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081581200 686084431 /nfs/dbraw/zinc/08/44/31/686084431.db2.gz YHHSUFBASGVWLK-ZIAGYGMSSA-N 1 0 347.419 -1.086 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC001081584917 686086061 /nfs/dbraw/zinc/08/60/61/686086061.db2.gz GOPUOZPMACYAJZ-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC001081584918 686086076 /nfs/dbraw/zinc/08/60/76/686086076.db2.gz GOPUOZPMACYAJZ-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC001081584919 686086089 /nfs/dbraw/zinc/08/60/89/686086089.db2.gz GOPUOZPMACYAJZ-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H](O)C1 ZINC001081584920 686086057 /nfs/dbraw/zinc/08/60/57/686086057.db2.gz GOPUOZPMACYAJZ-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589172 686087387 /nfs/dbraw/zinc/08/73/87/686087387.db2.gz BFWFPWJAEAVPEK-CMPLNLGQSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589173 686087653 /nfs/dbraw/zinc/08/76/53/686087653.db2.gz BFWFPWJAEAVPEK-JQWIXIFHSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589174 686087439 /nfs/dbraw/zinc/08/74/39/686087439.db2.gz BFWFPWJAEAVPEK-PWSUYJOCSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001081589175 686087296 /nfs/dbraw/zinc/08/72/96/686087296.db2.gz BFWFPWJAEAVPEK-ZYHUDNBSSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001081590716 686107202 /nfs/dbraw/zinc/10/72/02/686107202.db2.gz VYDRZJQCISBMOT-CMPLNLGQSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@@H](CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001081590717 686107648 /nfs/dbraw/zinc/10/76/48/686107648.db2.gz VYDRZJQCISBMOT-JQWIXIFHSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)c3cn[nH]n3)C2)CC1 ZINC001081590718 686107517 /nfs/dbraw/zinc/10/75/17/686107517.db2.gz VYDRZJQCISBMOT-PWSUYJOCSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](CNC(=O)c3cn[nH]n3)[C@H](O)C2)CC1 ZINC001081590719 686107311 /nfs/dbraw/zinc/10/73/11/686107311.db2.gz VYDRZJQCISBMOT-ZYHUDNBSSA-N 1 0 336.396 -1.304 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CC1 ZINC001081595704 686110045 /nfs/dbraw/zinc/11/00/45/686110045.db2.gz RDTPKYKOLFQLSG-NEPJUHHUSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)CC1 ZINC001081595705 686110151 /nfs/dbraw/zinc/11/01/51/686110151.db2.gz RDTPKYKOLFQLSG-NWDGAFQWSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CC1 ZINC001081595706 686109989 /nfs/dbraw/zinc/10/99/89/686109989.db2.gz RDTPKYKOLFQLSG-RYUDHWBXSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)CC1 ZINC001081595707 686109998 /nfs/dbraw/zinc/10/99/98/686109998.db2.gz RDTPKYKOLFQLSG-VXGBXAGGSA-N 1 0 340.424 -1.600 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597371 686111473 /nfs/dbraw/zinc/11/14/73/686111473.db2.gz DCWOADDSHNBGLL-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001081597372 686111426 /nfs/dbraw/zinc/11/14/26/686111426.db2.gz DCWOADDSHNBGLL-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597373 686111544 /nfs/dbraw/zinc/11/15/44/686111544.db2.gz DCWOADDSHNBGLL-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597374 686111377 /nfs/dbraw/zinc/11/13/77/686111377.db2.gz DCWOADDSHNBGLL-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597447 686111521 /nfs/dbraw/zinc/11/15/21/686111521.db2.gz FEPJPQCTWQWHSX-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001081597448 686111594 /nfs/dbraw/zinc/11/15/94/686111594.db2.gz FEPJPQCTWQWHSX-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597449 686111401 /nfs/dbraw/zinc/11/14/01/686111401.db2.gz FEPJPQCTWQWHSX-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597450 686111354 /nfs/dbraw/zinc/11/13/54/686111354.db2.gz FEPJPQCTWQWHSX-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)n1 ZINC001081597491 686111419 /nfs/dbraw/zinc/11/14/19/686111419.db2.gz FRRFRKLOVYOJKA-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)n1 ZINC001081597492 686111424 /nfs/dbraw/zinc/11/14/24/686111424.db2.gz FRRFRKLOVYOJKA-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)n1 ZINC001081597493 686111501 /nfs/dbraw/zinc/11/15/01/686111501.db2.gz FRRFRKLOVYOJKA-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)n1 ZINC001081597494 686111346 /nfs/dbraw/zinc/11/13/46/686111346.db2.gz FRRFRKLOVYOJKA-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597539 686111486 /nfs/dbraw/zinc/11/14/86/686111486.db2.gz GKJUQQQWGYOXBD-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001081597540 686111511 /nfs/dbraw/zinc/11/15/11/686111511.db2.gz GKJUQQQWGYOXBD-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597541 686111411 /nfs/dbraw/zinc/11/14/11/686111411.db2.gz GKJUQQQWGYOXBD-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081597542 686111554 /nfs/dbraw/zinc/11/15/54/686111554.db2.gz GKJUQQQWGYOXBD-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081601380 686113000 /nfs/dbraw/zinc/11/30/00/686113000.db2.gz QLHXHNDPWJRDBK-AAEUAGOBSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001081601381 686112961 /nfs/dbraw/zinc/11/29/61/686112961.db2.gz QLHXHNDPWJRDBK-DGCLKSJQSA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081601382 686113166 /nfs/dbraw/zinc/11/31/66/686113166.db2.gz QLHXHNDPWJRDBK-WCQYABFASA-N 1 0 338.412 -1.296 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001081601383 686113083 /nfs/dbraw/zinc/11/30/83/686113083.db2.gz QLHXHNDPWJRDBK-YPMHNXCESA-N 1 0 338.412 -1.296 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081604754 686114024 /nfs/dbraw/zinc/11/40/24/686114024.db2.gz WVBJCLWMXSGFJD-CHWSQXEVSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081604755 686114215 /nfs/dbraw/zinc/11/42/15/686114215.db2.gz WVBJCLWMXSGFJD-OLZOCXBDSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081604756 686114038 /nfs/dbraw/zinc/11/40/38/686114038.db2.gz WVBJCLWMXSGFJD-QWHCGFSZSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081604757 686114160 /nfs/dbraw/zinc/11/41/60/686114160.db2.gz WVBJCLWMXSGFJD-STQMWFEESA-N 1 0 342.440 -1.212 20 0 EAADRO CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001081608181 686115036 /nfs/dbraw/zinc/11/50/36/686115036.db2.gz YMNAEOWZAJNNES-FRRDWIJNSA-N 1 0 337.380 -1.114 20 0 EAADRO CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001081608182 686115050 /nfs/dbraw/zinc/11/50/50/686115050.db2.gz YMNAEOWZAJNNES-JHJVBQTASA-N 1 0 337.380 -1.114 20 0 EAADRO CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001081611841 686115637 /nfs/dbraw/zinc/11/56/37/686115637.db2.gz CQYCUYLRWBRGHX-FRRDWIJNSA-N 1 0 337.380 -1.114 20 0 EAADRO CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001081611843 686115619 /nfs/dbraw/zinc/11/56/19/686115619.db2.gz CQYCUYLRWBRGHX-JHJVBQTASA-N 1 0 337.380 -1.114 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cnnn1C ZINC001081611929 686115539 /nfs/dbraw/zinc/11/55/39/686115539.db2.gz CZTOVRBKNAGAFT-OUCADQQQSA-N 1 0 349.395 -1.498 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cnnn1C ZINC001081611930 686115699 /nfs/dbraw/zinc/11/56/99/686115699.db2.gz CZTOVRBKNAGAFT-YRGRVCCFSA-N 1 0 349.395 -1.498 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O ZINC001081617207 686095722 /nfs/dbraw/zinc/09/57/22/686095722.db2.gz ANBDBXGILYHJPY-CHWSQXEVSA-N 1 0 345.440 -1.339 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O ZINC001081617208 686095715 /nfs/dbraw/zinc/09/57/15/686095715.db2.gz ANBDBXGILYHJPY-OLZOCXBDSA-N 1 0 345.440 -1.339 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O ZINC001081617209 686095829 /nfs/dbraw/zinc/09/58/29/686095829.db2.gz ANBDBXGILYHJPY-QWHCGFSZSA-N 1 0 345.440 -1.339 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O ZINC001081617210 686095580 /nfs/dbraw/zinc/09/55/80/686095580.db2.gz ANBDBXGILYHJPY-STQMWFEESA-N 1 0 345.440 -1.339 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081617219 686095625 /nfs/dbraw/zinc/09/56/25/686095625.db2.gz ARIIKLVQHRLIIS-CMPLNLGQSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081617220 686095562 /nfs/dbraw/zinc/09/55/62/686095562.db2.gz ARIIKLVQHRLIIS-JQWIXIFHSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081617221 686095770 /nfs/dbraw/zinc/09/57/70/686095770.db2.gz ARIIKLVQHRLIIS-PWSUYJOCSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081617222 686095837 /nfs/dbraw/zinc/09/58/37/686095837.db2.gz ARIIKLVQHRLIIS-ZYHUDNBSSA-N 1 0 340.384 -2.068 20 0 EAADRO Cn1cncc1CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081617363 686096397 /nfs/dbraw/zinc/09/63/97/686096397.db2.gz CHWNYAFPXOSKQU-DZGCQCFKSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081617364 686096364 /nfs/dbraw/zinc/09/63/64/686096364.db2.gz CHWNYAFPXOSKQU-HIFRSBDPSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081617365 686096102 /nfs/dbraw/zinc/09/61/02/686096102.db2.gz CHWNYAFPXOSKQU-UKRRQHHQSA-N 1 0 349.435 -1.006 20 0 EAADRO Cn1cncc1CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081617366 686096335 /nfs/dbraw/zinc/09/63/35/686096335.db2.gz CHWNYAFPXOSKQU-ZFWWWQNUSA-N 1 0 349.435 -1.006 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081617379 686096277 /nfs/dbraw/zinc/09/62/77/686096277.db2.gz CRBKSWVACWQALD-GHMZBOCLSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081617380 686096386 /nfs/dbraw/zinc/09/63/86/686096386.db2.gz CRBKSWVACWQALD-MNOVXSKESA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081617381 686096308 /nfs/dbraw/zinc/09/63/08/686096308.db2.gz CRBKSWVACWQALD-QWRGUYRKSA-N 1 0 340.384 -2.068 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081617382 686096454 /nfs/dbraw/zinc/09/64/54/686096454.db2.gz CRBKSWVACWQALD-WDEREUQCSA-N 1 0 340.384 -2.068 20 0 EAADRO COCCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617407 686096313 /nfs/dbraw/zinc/09/63/13/686096313.db2.gz DGDYDUBSLQIDLH-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617408 686096132 /nfs/dbraw/zinc/09/61/32/686096132.db2.gz DGDYDUBSLQIDLH-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617409 686096174 /nfs/dbraw/zinc/09/61/74/686096174.db2.gz DGDYDUBSLQIDLH-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081617410 686096198 /nfs/dbraw/zinc/09/61/98/686096198.db2.gz DGDYDUBSLQIDLH-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001081617435 686096215 /nfs/dbraw/zinc/09/62/15/686096215.db2.gz DTBVLNWREWLKKD-GHMZBOCLSA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081617436 686096268 /nfs/dbraw/zinc/09/62/68/686096268.db2.gz DTBVLNWREWLKKD-MNOVXSKESA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081617437 686096230 /nfs/dbraw/zinc/09/62/30/686096230.db2.gz DTBVLNWREWLKKD-QWRGUYRKSA-N 1 0 339.396 -2.314 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081617438 686096434 /nfs/dbraw/zinc/09/64/34/686096434.db2.gz DTBVLNWREWLKKD-WDEREUQCSA-N 1 0 339.396 -2.314 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O ZINC001081617499 686096073 /nfs/dbraw/zinc/09/60/73/686096073.db2.gz FIFLACCAJLLHNC-AAEUAGOBSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O ZINC001081617500 686096079 /nfs/dbraw/zinc/09/60/79/686096079.db2.gz FIFLACCAJLLHNC-DGCLKSJQSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O ZINC001081617501 686096447 /nfs/dbraw/zinc/09/64/47/686096447.db2.gz FIFLACCAJLLHNC-WCQYABFASA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O ZINC001081617502 686096428 /nfs/dbraw/zinc/09/64/28/686096428.db2.gz FIFLACCAJLLHNC-YPMHNXCESA-N 1 0 339.396 -1.463 20 0 EAADRO CCCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617531 686096148 /nfs/dbraw/zinc/09/61/48/686096148.db2.gz FOKXGOCIVUEZDN-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617532 686096324 /nfs/dbraw/zinc/09/63/24/686096324.db2.gz FOKXGOCIVUEZDN-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617533 686096250 /nfs/dbraw/zinc/09/62/50/686096250.db2.gz FOKXGOCIVUEZDN-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO CCCOCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081617534 686096392 /nfs/dbraw/zinc/09/63/92/686096392.db2.gz FOKXGOCIVUEZDN-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO CC(C)OCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617619 686096411 /nfs/dbraw/zinc/09/64/11/686096411.db2.gz GQYKZXKWWFPGLN-KBPBESRZSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)OCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617620 686096218 /nfs/dbraw/zinc/09/62/18/686096218.db2.gz GQYKZXKWWFPGLN-KGLIPLIRSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)OCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617621 686096176 /nfs/dbraw/zinc/09/61/76/686096176.db2.gz GQYKZXKWWFPGLN-UONOGXRCSA-N 1 0 345.440 -1.075 20 0 EAADRO CC(C)OCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081617622 686096421 /nfs/dbraw/zinc/09/64/21/686096421.db2.gz GQYKZXKWWFPGLN-ZIAGYGMSSA-N 1 0 345.440 -1.075 20 0 EAADRO COCCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081617691 686096903 /nfs/dbraw/zinc/09/69/03/686096903.db2.gz HNYBODWJOVKJSX-CHWSQXEVSA-N 1 0 331.413 -1.463 20 0 EAADRO COCCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617692 686096833 /nfs/dbraw/zinc/09/68/33/686096833.db2.gz HNYBODWJOVKJSX-OLZOCXBDSA-N 1 0 331.413 -1.463 20 0 EAADRO COCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617693 686096615 /nfs/dbraw/zinc/09/66/15/686096615.db2.gz HNYBODWJOVKJSX-QWHCGFSZSA-N 1 0 331.413 -1.463 20 0 EAADRO COCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617694 686096958 /nfs/dbraw/zinc/09/69/58/686096958.db2.gz HNYBODWJOVKJSX-STQMWFEESA-N 1 0 331.413 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O ZINC001081617839 686096863 /nfs/dbraw/zinc/09/68/63/686096863.db2.gz JYLANXGYTXIMOB-NEPJUHHUSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@H]1O ZINC001081617840 686096887 /nfs/dbraw/zinc/09/68/87/686096887.db2.gz JYLANXGYTXIMOB-NWDGAFQWSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O ZINC001081617841 686096740 /nfs/dbraw/zinc/09/67/40/686096740.db2.gz JYLANXGYTXIMOB-RYUDHWBXSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O ZINC001081617842 686096596 /nfs/dbraw/zinc/09/65/96/686096596.db2.gz JYLANXGYTXIMOB-VXGBXAGGSA-N 1 0 340.380 -1.198 20 0 EAADRO Cn1cncc1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081617907 686096601 /nfs/dbraw/zinc/09/66/01/686096601.db2.gz KVGZNXUAKLYALI-GXTWGEPZSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cncc1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081617908 686096838 /nfs/dbraw/zinc/09/68/38/686096838.db2.gz KVGZNXUAKLYALI-JSGCOSHPSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cncc1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081617909 686096783 /nfs/dbraw/zinc/09/67/83/686096783.db2.gz KVGZNXUAKLYALI-OCCSQVGLSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cncc1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081617910 686096665 /nfs/dbraw/zinc/09/66/65/686096665.db2.gz KVGZNXUAKLYALI-TZMCWYRMSA-N 1 0 337.424 -1.150 20 0 EAADRO CCOCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617923 686096835 /nfs/dbraw/zinc/09/68/35/686096835.db2.gz KZHQWHMMWUFCBU-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617924 686096608 /nfs/dbraw/zinc/09/66/08/686096608.db2.gz KZHQWHMMWUFCBU-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617925 686096781 /nfs/dbraw/zinc/09/67/81/686096781.db2.gz KZHQWHMMWUFCBU-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO CCOCCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081617926 686096907 /nfs/dbraw/zinc/09/69/07/686096907.db2.gz KZHQWHMMWUFCBU-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081617943 686096944 /nfs/dbraw/zinc/09/69/44/686096944.db2.gz LIOJUVXYDPORKW-CHWSQXEVSA-N 1 0 344.412 -2.364 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617944 686096872 /nfs/dbraw/zinc/09/68/72/686096872.db2.gz LIOJUVXYDPORKW-OLZOCXBDSA-N 1 0 344.412 -2.364 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617945 686096909 /nfs/dbraw/zinc/09/69/09/686096909.db2.gz LIOJUVXYDPORKW-QWHCGFSZSA-N 1 0 344.412 -2.364 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081617946 686096829 /nfs/dbraw/zinc/09/68/29/686096829.db2.gz LIOJUVXYDPORKW-STQMWFEESA-N 1 0 344.412 -2.364 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O ZINC001081618375 686097286 /nfs/dbraw/zinc/09/72/86/686097286.db2.gz QJKRUXYSIPSOOG-AAEUAGOBSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O ZINC001081618376 686097288 /nfs/dbraw/zinc/09/72/88/686097288.db2.gz QJKRUXYSIPSOOG-DGCLKSJQSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@H]1O ZINC001081618377 686097326 /nfs/dbraw/zinc/09/73/26/686097326.db2.gz QJKRUXYSIPSOOG-WCQYABFASA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O ZINC001081618378 686097141 /nfs/dbraw/zinc/09/71/41/686097141.db2.gz QJKRUXYSIPSOOG-YPMHNXCESA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O ZINC001081618471 686097155 /nfs/dbraw/zinc/09/71/55/686097155.db2.gz RIGNAOCCJMLCRK-AAEUAGOBSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O ZINC001081618472 686097323 /nfs/dbraw/zinc/09/73/23/686097323.db2.gz RIGNAOCCJMLCRK-DGCLKSJQSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@H]1O ZINC001081618473 686097176 /nfs/dbraw/zinc/09/71/76/686097176.db2.gz RIGNAOCCJMLCRK-WCQYABFASA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O ZINC001081618474 686097223 /nfs/dbraw/zinc/09/72/23/686097223.db2.gz RIGNAOCCJMLCRK-YPMHNXCESA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081618495 686097299 /nfs/dbraw/zinc/09/72/99/686097299.db2.gz ROQFUFCINOEAAG-GHMZBOCLSA-N 1 0 330.385 -2.625 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081618496 686097195 /nfs/dbraw/zinc/09/71/95/686097195.db2.gz ROQFUFCINOEAAG-MNOVXSKESA-N 1 0 330.385 -2.625 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081618497 686097280 /nfs/dbraw/zinc/09/72/80/686097280.db2.gz ROQFUFCINOEAAG-QWRGUYRKSA-N 1 0 330.385 -2.625 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081618498 686097271 /nfs/dbraw/zinc/09/72/71/686097271.db2.gz ROQFUFCINOEAAG-WDEREUQCSA-N 1 0 330.385 -2.625 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081618595 686097731 /nfs/dbraw/zinc/09/77/31/686097731.db2.gz SUYFZCGKYVBOIH-NEPJUHHUSA-N 1 0 344.412 -2.364 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081618596 686097796 /nfs/dbraw/zinc/09/77/96/686097796.db2.gz SUYFZCGKYVBOIH-NWDGAFQWSA-N 1 0 344.412 -2.364 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081618597 686097780 /nfs/dbraw/zinc/09/77/80/686097780.db2.gz SUYFZCGKYVBOIH-RYUDHWBXSA-N 1 0 344.412 -2.364 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081618598 686097676 /nfs/dbraw/zinc/09/76/76/686097676.db2.gz SUYFZCGKYVBOIH-VXGBXAGGSA-N 1 0 344.412 -2.364 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081618647 686097716 /nfs/dbraw/zinc/09/77/16/686097716.db2.gz UFIYNFSIARBDAO-CMPLNLGQSA-N 1 0 341.368 -1.803 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081618648 686097792 /nfs/dbraw/zinc/09/77/92/686097792.db2.gz UFIYNFSIARBDAO-JQWIXIFHSA-N 1 0 341.368 -1.803 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081618649 686097779 /nfs/dbraw/zinc/09/77/79/686097779.db2.gz UFIYNFSIARBDAO-PWSUYJOCSA-N 1 0 341.368 -1.803 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081618650 686097721 /nfs/dbraw/zinc/09/77/21/686097721.db2.gz UFIYNFSIARBDAO-ZYHUDNBSSA-N 1 0 341.368 -1.803 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618731 686097755 /nfs/dbraw/zinc/09/77/55/686097755.db2.gz VAOPBPYKNPINEV-NEPJUHHUSA-N 1 0 338.408 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618732 686097760 /nfs/dbraw/zinc/09/77/60/686097760.db2.gz VAOPBPYKNPINEV-NWDGAFQWSA-N 1 0 338.408 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618733 686097782 /nfs/dbraw/zinc/09/77/82/686097782.db2.gz VAOPBPYKNPINEV-RYUDHWBXSA-N 1 0 338.408 -1.846 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001081618734 686097768 /nfs/dbraw/zinc/09/77/68/686097768.db2.gz VAOPBPYKNPINEV-VXGBXAGGSA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081618775 686097679 /nfs/dbraw/zinc/09/76/79/686097679.db2.gz VOBSOGJSBQPGBD-GHMZBOCLSA-N 1 0 345.400 -2.832 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081618776 686097790 /nfs/dbraw/zinc/09/77/90/686097790.db2.gz VOBSOGJSBQPGBD-MNOVXSKESA-N 1 0 345.400 -2.832 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081618777 686097829 /nfs/dbraw/zinc/09/78/29/686097829.db2.gz VOBSOGJSBQPGBD-QWRGUYRKSA-N 1 0 345.400 -2.832 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081618778 686097722 /nfs/dbraw/zinc/09/77/22/686097722.db2.gz VOBSOGJSBQPGBD-WDEREUQCSA-N 1 0 345.400 -2.832 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001081618799 686097794 /nfs/dbraw/zinc/09/77/94/686097794.db2.gz VUNPMLCTLKPOHP-CHWSQXEVSA-N 1 0 338.408 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618800 686097732 /nfs/dbraw/zinc/09/77/32/686097732.db2.gz VUNPMLCTLKPOHP-OLZOCXBDSA-N 1 0 338.408 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618801 686097672 /nfs/dbraw/zinc/09/76/72/686097672.db2.gz VUNPMLCTLKPOHP-QWHCGFSZSA-N 1 0 338.408 -1.846 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618802 686097825 /nfs/dbraw/zinc/09/78/25/686097825.db2.gz VUNPMLCTLKPOHP-STQMWFEESA-N 1 0 338.408 -1.846 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O ZINC001081619027 686097777 /nfs/dbraw/zinc/09/77/77/686097777.db2.gz XGQIRMFZCINCJQ-CHWSQXEVSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O ZINC001081619028 686097717 /nfs/dbraw/zinc/09/77/17/686097717.db2.gz XGQIRMFZCINCJQ-OLZOCXBDSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O ZINC001081619029 686097711 /nfs/dbraw/zinc/09/77/11/686097711.db2.gz XGQIRMFZCINCJQ-QWHCGFSZSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O ZINC001081619030 686097720 /nfs/dbraw/zinc/09/77/20/686097720.db2.gz XGQIRMFZCINCJQ-STQMWFEESA-N 1 0 339.396 -1.463 20 0 EAADRO CSCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081619035 686097665 /nfs/dbraw/zinc/09/76/65/686097665.db2.gz XISSMMMQJWYUIO-NEPJUHHUSA-N 1 0 333.454 -1.137 20 0 EAADRO CSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081619036 686097749 /nfs/dbraw/zinc/09/77/49/686097749.db2.gz XISSMMMQJWYUIO-NWDGAFQWSA-N 1 0 333.454 -1.137 20 0 EAADRO CSCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081619037 686097691 /nfs/dbraw/zinc/09/76/91/686097691.db2.gz XISSMMMQJWYUIO-RYUDHWBXSA-N 1 0 333.454 -1.137 20 0 EAADRO CSCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081619038 686097682 /nfs/dbraw/zinc/09/76/82/686097682.db2.gz XISSMMMQJWYUIO-VXGBXAGGSA-N 1 0 333.454 -1.137 20 0 EAADRO CCOCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081619381 686098254 /nfs/dbraw/zinc/09/82/54/686098254.db2.gz ZHLAHIITTHYLCU-CHWSQXEVSA-N 1 0 331.413 -1.463 20 0 EAADRO CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081619382 686098203 /nfs/dbraw/zinc/09/82/03/686098203.db2.gz ZHLAHIITTHYLCU-OLZOCXBDSA-N 1 0 331.413 -1.463 20 0 EAADRO CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081619383 686098123 /nfs/dbraw/zinc/09/81/23/686098123.db2.gz ZHLAHIITTHYLCU-QWHCGFSZSA-N 1 0 331.413 -1.463 20 0 EAADRO CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081619384 686098240 /nfs/dbraw/zinc/09/82/40/686098240.db2.gz ZHLAHIITTHYLCU-STQMWFEESA-N 1 0 331.413 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O ZINC001081619415 686098266 /nfs/dbraw/zinc/09/82/66/686098266.db2.gz ZPXQLMJWSMFUBI-NEPJUHHUSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O ZINC001081619416 686098213 /nfs/dbraw/zinc/09/82/13/686098213.db2.gz ZPXQLMJWSMFUBI-NWDGAFQWSA-N 1 0 339.396 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O ZINC001081619417 686098256 /nfs/dbraw/zinc/09/82/56/686098256.db2.gz ZPXQLMJWSMFUBI-RYUDHWBXSA-N 1 0 339.396 -1.463 20 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ZINC001081623692 686099449 /nfs/dbraw/zinc/09/94/49/686099449.db2.gz OPGGQPXGHSOBAL-NEPJUHHUSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC001081623693 686099597 /nfs/dbraw/zinc/09/95/97/686099597.db2.gz OPGGQPXGHSOBAL-NWDGAFQWSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC001081623694 686099576 /nfs/dbraw/zinc/09/95/76/686099576.db2.gz OPGGQPXGHSOBAL-RYUDHWBXSA-N 1 0 340.380 -1.198 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1 ZINC001081623695 686099543 /nfs/dbraw/zinc/09/95/43/686099543.db2.gz OPGGQPXGHSOBAL-VXGBXAGGSA-N 1 0 340.380 -1.198 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001081624946 686099970 /nfs/dbraw/zinc/09/99/70/686099970.db2.gz NOTZKKKJKACHMB-JHJVBQTASA-N 1 0 349.395 -1.498 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001081624947 686099997 /nfs/dbraw/zinc/09/99/97/686099997.db2.gz 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EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O ZINC001081632570 686102297 /nfs/dbraw/zinc/10/22/97/686102297.db2.gz PXFRLZRYUJFQES-NEPJUHHUSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CNC(=O)OC)C[C@H]1O ZINC001081632571 686102277 /nfs/dbraw/zinc/10/22/77/686102277.db2.gz PXFRLZRYUJFQES-NWDGAFQWSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O ZINC001081632572 686102333 /nfs/dbraw/zinc/10/23/33/686102333.db2.gz PXFRLZRYUJFQES-RYUDHWBXSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1O ZINC001081632573 686102240 /nfs/dbraw/zinc/10/22/40/686102240.db2.gz PXFRLZRYUJFQES-VXGBXAGGSA-N 1 0 344.412 -1.380 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O ZINC001081632852 686102850 /nfs/dbraw/zinc/10/28/50/686102850.db2.gz UAXFYEMALKKNCT-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001081632853 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/nfs/dbraw/zinc/12/04/17/686120417.db2.gz JGTJDYSMGCPMMG-UWVGGRQHSA-N 1 0 325.373 -2.289 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)n1 ZINC001081655742 686120628 /nfs/dbraw/zinc/12/06/28/686120628.db2.gz JGTJDYSMGCPMMG-VHSXEESVSA-N 1 0 325.373 -2.289 20 0 EAADRO Cn1nnc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)n1 ZINC001081655743 686120549 /nfs/dbraw/zinc/12/05/49/686120549.db2.gz JGTJDYSMGCPMMG-ZJUUUORDSA-N 1 0 325.373 -2.289 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001081656224 686120608 /nfs/dbraw/zinc/12/06/08/686120608.db2.gz SNOWXVJJBVUDOB-GHMZBOCLSA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001081656225 686120393 /nfs/dbraw/zinc/12/03/93/686120393.db2.gz SNOWXVJJBVUDOB-MNOVXSKESA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001081656226 686120634 /nfs/dbraw/zinc/12/06/34/686120634.db2.gz SNOWXVJJBVUDOB-QWRGUYRKSA-N 1 0 339.400 -1.901 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001081656227 686120587 /nfs/dbraw/zinc/12/05/87/686120587.db2.gz SNOWXVJJBVUDOB-WDEREUQCSA-N 1 0 339.400 -1.901 20 0 EAADRO Cn1nnc(C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)n1 ZINC001081656384 686120970 /nfs/dbraw/zinc/12/09/70/686120970.db2.gz WLADYLYVDAJICK-GHMZBOCLSA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)n1 ZINC001081656385 686120981 /nfs/dbraw/zinc/12/09/81/686120981.db2.gz WLADYLYVDAJICK-MNOVXSKESA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)n1 ZINC001081656386 686121030 /nfs/dbraw/zinc/12/10/30/686121030.db2.gz WLADYLYVDAJICK-QWRGUYRKSA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)n1 ZINC001081656387 686121087 /nfs/dbraw/zinc/12/10/87/686121087.db2.gz WLADYLYVDAJICK-WDEREUQCSA-N 1 0 339.400 -1.899 20 0 EAADRO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001081659040 686121045 /nfs/dbraw/zinc/12/10/45/686121045.db2.gz KMEKQFQFPZKJFL-CYZMBNFOSA-N 1 0 337.380 -1.430 20 0 EAADRO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001081659041 686120874 /nfs/dbraw/zinc/12/08/74/686120874.db2.gz KMEKQFQFPZKJFL-RAIGVLPGSA-N 1 0 337.380 -1.430 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001081666087 686122050 /nfs/dbraw/zinc/12/20/50/686122050.db2.gz OIQMZLJHDPHKLA-BIGJJFBESA-N 1 0 325.409 -1.234 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001081666088 686122222 /nfs/dbraw/zinc/12/22/22/686122222.db2.gz OIQMZLJHDPHKLA-DKBOKBLXSA-N 1 0 325.409 -1.234 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001081666089 686122192 /nfs/dbraw/zinc/12/21/92/686122192.db2.gz OIQMZLJHDPHKLA-RLPMIEJPSA-N 1 0 325.409 -1.234 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001081666090 686122215 /nfs/dbraw/zinc/12/22/15/686122215.db2.gz OIQMZLJHDPHKLA-VVSAWPALSA-N 1 0 325.409 -1.234 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001081668191 686122250 /nfs/dbraw/zinc/12/22/50/686122250.db2.gz IMOSVEZBUIYLNB-IJLUTSLNSA-N 1 0 341.408 -1.032 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001081668192 686122157 /nfs/dbraw/zinc/12/21/57/686122157.db2.gz IMOSVEZBUIYLNB-QJPTWQEYSA-N 1 0 341.408 -1.032 20 0 EAADRO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001081668556 686122943 /nfs/dbraw/zinc/12/29/43/686122943.db2.gz PAABNHJCUKSDAG-VXGBXAGGSA-N 1 0 341.408 -1.031 20 0 EAADRO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001081668779 686122666 /nfs/dbraw/zinc/12/26/66/686122666.db2.gz VCJFQDCAAHHRPU-GHMZBOCLSA-N 1 0 327.381 -1.421 20 0 EAADRO CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673137 686122855 /nfs/dbraw/zinc/12/28/55/686122855.db2.gz YSFAHVANELEZLN-CHWSQXEVSA-N 1 0 347.379 -1.613 20 0 EAADRO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@H](OC)C2)cn1 ZINC001081673199 686122717 /nfs/dbraw/zinc/12/27/17/686122717.db2.gz BDJGGPGPMWZOJG-ZIAGYGMSSA-N 1 0 348.411 -1.052 20 0 EAADRO CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673213 686122619 /nfs/dbraw/zinc/12/26/19/686122619.db2.gz BWJHFXFYYQLAOZ-CHWSQXEVSA-N 1 0 334.384 -1.535 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673306 686123574 /nfs/dbraw/zinc/12/35/74/686123574.db2.gz HEIDURNXNXNAHQ-IJLUTSLNSA-N 1 0 347.383 -1.733 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673307 686123625 /nfs/dbraw/zinc/12/36/25/686123625.db2.gz HEIDURNXNXNAHQ-QJPTWQEYSA-N 1 0 347.383 -1.733 20 0 EAADRO CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081674068 686123215 /nfs/dbraw/zinc/12/32/15/686123215.db2.gz YPQKUCAMMWWZAJ-CHWSQXEVSA-N 1 0 334.384 -1.535 20 0 EAADRO CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675866 686123394 /nfs/dbraw/zinc/12/33/94/686123394.db2.gz JVVOSKLWHMADIK-BFHYXJOUSA-N 1 0 349.439 -1.133 20 0 EAADRO CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675867 686123335 /nfs/dbraw/zinc/12/33/35/686123335.db2.gz JVVOSKLWHMADIK-MGPQQGTHSA-N 1 0 349.439 -1.133 20 0 EAADRO CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675880 686123556 /nfs/dbraw/zinc/12/35/56/686123556.db2.gz KLRXYBCXHXNDPS-BFHYXJOUSA-N 1 0 349.439 -1.133 20 0 EAADRO CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675881 686124150 /nfs/dbraw/zinc/12/41/50/686124150.db2.gz KLRXYBCXHXNDPS-MGPQQGTHSA-N 1 0 349.439 -1.133 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081681331 686125793 /nfs/dbraw/zinc/12/57/93/686125793.db2.gz CVCXENIBGBIROH-CMPLNLGQSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081681332 686125996 /nfs/dbraw/zinc/12/59/96/686125996.db2.gz CVCXENIBGBIROH-JQWIXIFHSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC001081681333 686126151 /nfs/dbraw/zinc/12/61/51/686126151.db2.gz CVCXENIBGBIROH-PWSUYJOCSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC001081681334 686125983 /nfs/dbraw/zinc/12/59/83/686125983.db2.gz CVCXENIBGBIROH-ZYHUDNBSSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)c3cnon3)C2)CC1 ZINC001081681559 686125948 /nfs/dbraw/zinc/12/59/48/686125948.db2.gz GIJRKLVSABADFQ-CMPLNLGQSA-N 1 0 337.380 -1.040 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@@H](CNC(=O)c3cnon3)C2)CC1 ZINC001081681560 686125908 /nfs/dbraw/zinc/12/59/08/686125908.db2.gz GIJRKLVSABADFQ-JQWIXIFHSA-N 1 0 337.380 -1.040 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)c3cnon3)C2)CC1 ZINC001081681561 686125834 /nfs/dbraw/zinc/12/58/34/686125834.db2.gz GIJRKLVSABADFQ-PWSUYJOCSA-N 1 0 337.380 -1.040 20 0 EAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](CNC(=O)c3cnon3)[C@H](O)C2)CC1 ZINC001081681562 686125897 /nfs/dbraw/zinc/12/58/97/686125897.db2.gz GIJRKLVSABADFQ-ZYHUDNBSSA-N 1 0 337.380 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081682355 686126021 /nfs/dbraw/zinc/12/60/21/686126021.db2.gz NKXVXWJGRNZAHL-CMPLNLGQSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081682356 686126099 /nfs/dbraw/zinc/12/60/99/686126099.db2.gz NKXVXWJGRNZAHL-JQWIXIFHSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC001081682357 686126142 /nfs/dbraw/zinc/12/61/42/686126142.db2.gz NKXVXWJGRNZAHL-PWSUYJOCSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC001081682358 686126041 /nfs/dbraw/zinc/12/60/41/686126041.db2.gz NKXVXWJGRNZAHL-ZYHUDNBSSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081682803 686125966 /nfs/dbraw/zinc/12/59/66/686125966.db2.gz RMXAMHFEDHMVHU-CMPLNLGQSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081682804 686126050 /nfs/dbraw/zinc/12/60/50/686126050.db2.gz RMXAMHFEDHMVHU-JQWIXIFHSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC001081682806 686125955 /nfs/dbraw/zinc/12/59/55/686125955.db2.gz RMXAMHFEDHMVHU-PWSUYJOCSA-N 1 0 325.369 -1.040 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC001081682807 686125852 /nfs/dbraw/zinc/12/58/52/686125852.db2.gz RMXAMHFEDHMVHU-ZYHUDNBSSA-N 1 0 325.369 -1.040 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081684588 686127166 /nfs/dbraw/zinc/12/71/66/686127166.db2.gz IFVQJSHUDFRPKT-CMPLNLGQSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081684589 686127186 /nfs/dbraw/zinc/12/71/86/686127186.db2.gz IFVQJSHUDFRPKT-JQWIXIFHSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC001081684590 686127111 /nfs/dbraw/zinc/12/71/11/686127111.db2.gz IFVQJSHUDFRPKT-PWSUYJOCSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC001081684591 686127098 /nfs/dbraw/zinc/12/70/98/686127098.db2.gz IFVQJSHUDFRPKT-ZYHUDNBSSA-N 1 0 325.369 -1.041 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081684788 686127179 /nfs/dbraw/zinc/12/71/79/686127179.db2.gz KKYQFBOBRFEVCH-CMPLNLGQSA-N 1 0 325.369 -1.040 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081684789 686127225 /nfs/dbraw/zinc/12/72/25/686127225.db2.gz KKYQFBOBRFEVCH-JQWIXIFHSA-N 1 0 325.369 -1.040 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC001081684790 686127154 /nfs/dbraw/zinc/12/71/54/686127154.db2.gz KKYQFBOBRFEVCH-PWSUYJOCSA-N 1 0 325.369 -1.040 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC001081684791 686127126 /nfs/dbraw/zinc/12/71/26/686127126.db2.gz KKYQFBOBRFEVCH-ZYHUDNBSSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081685748 686127744 /nfs/dbraw/zinc/12/77/44/686127744.db2.gz XKPNVDFHDQTEMS-CMPLNLGQSA-N 1 0 341.368 -1.803 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC001081685749 686127737 /nfs/dbraw/zinc/12/77/37/686127737.db2.gz XKPNVDFHDQTEMS-JQWIXIFHSA-N 1 0 341.368 -1.803 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC001081685750 686127720 /nfs/dbraw/zinc/12/77/20/686127720.db2.gz XKPNVDFHDQTEMS-PWSUYJOCSA-N 1 0 341.368 -1.803 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC001081685751 686127732 /nfs/dbraw/zinc/12/77/32/686127732.db2.gz XKPNVDFHDQTEMS-ZYHUDNBSSA-N 1 0 341.368 -1.803 20 0 EAADRO CO[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686372 686128438 /nfs/dbraw/zinc/12/84/38/686128438.db2.gz SBAVQOIFDKNCFB-ZIAGYGMSSA-N 1 0 325.413 -1.134 20 0 EAADRO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686539 686128374 /nfs/dbraw/zinc/12/83/74/686128374.db2.gz ZBYMIRQGCNXLGQ-CHWSQXEVSA-N 1 0 338.412 -1.641 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001081689671 686129821 /nfs/dbraw/zinc/12/98/21/686129821.db2.gz CBJFSZLKAJPVJV-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001081689672 686130192 /nfs/dbraw/zinc/13/01/92/686130192.db2.gz CBJFSZLKAJPVJV-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001081689673 686130073 /nfs/dbraw/zinc/13/00/73/686130073.db2.gz CBJFSZLKAJPVJV-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001081689674 686130054 /nfs/dbraw/zinc/13/00/54/686130054.db2.gz CBJFSZLKAJPVJV-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC001081689771 686129946 /nfs/dbraw/zinc/12/99/46/686129946.db2.gz DJXKJTMETNEQSE-NEPJUHHUSA-N 1 0 326.397 -1.861 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC001081689772 686130121 /nfs/dbraw/zinc/13/01/21/686130121.db2.gz DJXKJTMETNEQSE-NWDGAFQWSA-N 1 0 326.397 -1.861 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC001081689773 686129788 /nfs/dbraw/zinc/12/97/88/686129788.db2.gz DJXKJTMETNEQSE-RYUDHWBXSA-N 1 0 326.397 -1.861 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC001081689774 686130061 /nfs/dbraw/zinc/13/00/61/686130061.db2.gz DJXKJTMETNEQSE-VXGBXAGGSA-N 1 0 326.397 -1.861 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC001081690147 686130358 /nfs/dbraw/zinc/13/03/58/686130358.db2.gz INWIOQXHNQINQD-CHWSQXEVSA-N 1 0 340.424 -1.471 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC001081690148 686130393 /nfs/dbraw/zinc/13/03/93/686130393.db2.gz INWIOQXHNQINQD-OLZOCXBDSA-N 1 0 340.424 -1.471 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC001081690149 686130607 /nfs/dbraw/zinc/13/06/07/686130607.db2.gz INWIOQXHNQINQD-QWHCGFSZSA-N 1 0 340.424 -1.471 20 0 EAADRO CC1CC[NH+](CC(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC001081690150 686130384 /nfs/dbraw/zinc/13/03/84/686130384.db2.gz INWIOQXHNQINQD-STQMWFEESA-N 1 0 340.424 -1.471 20 0 EAADRO CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691673 686132990 /nfs/dbraw/zinc/13/29/90/686132990.db2.gz KBMHJUWZIOSYPD-FDYHWXHSSA-N 1 0 337.428 -1.134 20 0 EAADRO CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691855 686132574 /nfs/dbraw/zinc/13/25/74/686132574.db2.gz UYQMEVAFRVINEC-FDYHWXHSSA-N 1 0 337.428 -1.134 20 0 EAADRO COCC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](OC)C1 ZINC001081694494 686128398 /nfs/dbraw/zinc/12/83/98/686128398.db2.gz FUOBENDBDICZNU-NXEZZACHSA-N 1 0 326.357 -2.161 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694540 686171769 /nfs/dbraw/zinc/17/17/69/686171769.db2.gz IAOVMMQAJADEBK-IVZWLZJFSA-N 1 0 326.357 -2.427 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694541 686171262 /nfs/dbraw/zinc/17/12/62/686171262.db2.gz IAOVMMQAJADEBK-OPRDCNLKSA-N 1 0 326.357 -2.427 20 0 EAADRO CO[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694549 686171336 /nfs/dbraw/zinc/17/13/36/686171336.db2.gz IPNMKYXPHUCQCT-VXGBXAGGSA-N 1 0 336.396 -1.008 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](OC)C1 ZINC001081694611 686171499 /nfs/dbraw/zinc/17/14/99/686171499.db2.gz LWOPCENKMXLMCW-GMTAPVOTSA-N 1 0 340.384 -1.773 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](OC)C1 ZINC001081694612 686171319 /nfs/dbraw/zinc/17/13/19/686171319.db2.gz LWOPCENKMXLMCW-HBNTYKKESA-N 1 0 340.384 -1.773 20 0 EAADRO CO[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694613 686171596 /nfs/dbraw/zinc/17/15/96/686171596.db2.gz LWVVJORUXQAMMC-GMTAPVOTSA-N 1 0 342.375 -1.060 20 0 EAADRO CO[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694614 686171612 /nfs/dbraw/zinc/17/16/12/686171612.db2.gz LWVVJORUXQAMMC-HBNTYKKESA-N 1 0 342.375 -1.060 20 0 EAADRO CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694693 686171390 /nfs/dbraw/zinc/17/13/90/686171390.db2.gz QITALZCCWXTTQG-NXEZZACHSA-N 1 0 328.348 -1.448 20 0 EAADRO CO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694841 686171265 /nfs/dbraw/zinc/17/12/65/686171265.db2.gz SUEYDNFPHXHVQE-VXGBXAGGSA-N 1 0 336.396 -1.008 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081695281 686171431 /nfs/dbraw/zinc/17/14/31/686171431.db2.gz GGBGSRPWKZXQQR-CHWSQXEVSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081695282 686171360 /nfs/dbraw/zinc/17/13/60/686171360.db2.gz GGBGSRPWKZXQQR-OLZOCXBDSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081695283 686171417 /nfs/dbraw/zinc/17/14/17/686171417.db2.gz GGBGSRPWKZXQQR-QWHCGFSZSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081695284 686171693 /nfs/dbraw/zinc/17/16/93/686171693.db2.gz GGBGSRPWKZXQQR-STQMWFEESA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081696437 686172957 /nfs/dbraw/zinc/17/29/57/686172957.db2.gz VNXNRDUWTMDPLV-CHWSQXEVSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081696438 686173052 /nfs/dbraw/zinc/17/30/52/686173052.db2.gz VNXNRDUWTMDPLV-OLZOCXBDSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081696439 686172967 /nfs/dbraw/zinc/17/29/67/686172967.db2.gz VNXNRDUWTMDPLV-QWHCGFSZSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081696440 686173273 /nfs/dbraw/zinc/17/32/73/686173273.db2.gz VNXNRDUWTMDPLV-STQMWFEESA-N 1 0 335.408 -1.017 20 0 EAADRO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081697089 686172951 /nfs/dbraw/zinc/17/29/51/686172951.db2.gz PCFHHSGEADKDEV-NXEZZACHSA-N 1 0 326.357 -2.425 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](OC)C1 ZINC001081697189 686173219 /nfs/dbraw/zinc/17/32/19/686173219.db2.gz VKXYMVOOASVIAO-GMTAPVOTSA-N 1 0 340.384 -1.773 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](OC)C1 ZINC001081697190 686173279 /nfs/dbraw/zinc/17/32/79/686173279.db2.gz VKXYMVOOASVIAO-HBNTYKKESA-N 1 0 340.384 -1.773 20 0 EAADRO COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001081697365 686172983 /nfs/dbraw/zinc/17/29/83/686172983.db2.gz BATSTDRDSMLTFV-GXTWGEPZSA-N 1 0 343.424 -1.321 20 0 EAADRO COCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001081697366 686173098 /nfs/dbraw/zinc/17/30/98/686173098.db2.gz BATSTDRDSMLTFV-JSGCOSHPSA-N 1 0 343.424 -1.321 20 0 EAADRO COCC(=O)N1C[C@H](O)[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001081697367 686173199 /nfs/dbraw/zinc/17/31/99/686173199.db2.gz BATSTDRDSMLTFV-OCCSQVGLSA-N 1 0 343.424 -1.321 20 0 EAADRO COCC(=O)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001081697368 686173161 /nfs/dbraw/zinc/17/31/61/686173161.db2.gz BATSTDRDSMLTFV-TZMCWYRMSA-N 1 0 343.424 -1.321 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001081697473 686173719 /nfs/dbraw/zinc/17/37/19/686173719.db2.gz CVJMCTLUYACPQW-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081697474 686173738 /nfs/dbraw/zinc/17/37/38/686173738.db2.gz CVJMCTLUYACPQW-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081697475 686173804 /nfs/dbraw/zinc/17/38/04/686173804.db2.gz CVJMCTLUYACPQW-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081697476 686173728 /nfs/dbraw/zinc/17/37/28/686173728.db2.gz CVJMCTLUYACPQW-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC001081697533 686173948 /nfs/dbraw/zinc/17/39/48/686173948.db2.gz DPCSWYCEGIOLPJ-GHMZBOCLSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC001081697534 686173715 /nfs/dbraw/zinc/17/37/15/686173715.db2.gz DPCSWYCEGIOLPJ-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 ZINC001081697535 686173968 /nfs/dbraw/zinc/17/39/68/686173968.db2.gz DPCSWYCEGIOLPJ-QWRGUYRKSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 ZINC001081697536 686173833 /nfs/dbraw/zinc/17/38/33/686173833.db2.gz DPCSWYCEGIOLPJ-WDEREUQCSA-N 1 0 326.397 -1.861 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081697737 686173975 /nfs/dbraw/zinc/17/39/75/686173975.db2.gz HHVCXTUWRSHASB-NEPJUHHUSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081697738 686173686 /nfs/dbraw/zinc/17/36/86/686173686.db2.gz HHVCXTUWRSHASB-NWDGAFQWSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081697739 686173811 /nfs/dbraw/zinc/17/38/11/686173811.db2.gz HHVCXTUWRSHASB-RYUDHWBXSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001081697740 686173661 /nfs/dbraw/zinc/17/36/61/686173661.db2.gz HHVCXTUWRSHASB-VXGBXAGGSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC001081697841 686174527 /nfs/dbraw/zinc/17/45/27/686174527.db2.gz JFKZNVKIHRJFDF-CMPLNLGQSA-N 1 0 342.396 -2.482 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC001081697842 686174392 /nfs/dbraw/zinc/17/43/92/686174392.db2.gz JFKZNVKIHRJFDF-JQWIXIFHSA-N 1 0 342.396 -2.482 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC001081697843 686174539 /nfs/dbraw/zinc/17/45/39/686174539.db2.gz JFKZNVKIHRJFDF-PWSUYJOCSA-N 1 0 342.396 -2.482 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC001081697844 686174350 /nfs/dbraw/zinc/17/43/50/686174350.db2.gz JFKZNVKIHRJFDF-ZYHUDNBSSA-N 1 0 342.396 -2.482 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001081698489 686175054 /nfs/dbraw/zinc/17/50/54/686175054.db2.gz SGNIFTWBSXNHEJ-CMPLNLGQSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001081698490 686174978 /nfs/dbraw/zinc/17/49/78/686174978.db2.gz SGNIFTWBSXNHEJ-JQWIXIFHSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001081698491 686175060 /nfs/dbraw/zinc/17/50/60/686175060.db2.gz SGNIFTWBSXNHEJ-PWSUYJOCSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001081698492 686175102 /nfs/dbraw/zinc/17/51/02/686175102.db2.gz SGNIFTWBSXNHEJ-ZYHUDNBSSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)CC1 ZINC001081698621 686175092 /nfs/dbraw/zinc/17/50/92/686175092.db2.gz UHHVQVVSYRTXRY-GHMZBOCLSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2O)CC1 ZINC001081698622 686174936 /nfs/dbraw/zinc/17/49/36/686174936.db2.gz UHHVQVVSYRTXRY-MNOVXSKESA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2O)CC1 ZINC001081698623 686175014 /nfs/dbraw/zinc/17/50/14/686175014.db2.gz UHHVQVVSYRTXRY-QWRGUYRKSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)CC1 ZINC001081698624 686175078 /nfs/dbraw/zinc/17/50/78/686175078.db2.gz UHHVQVVSYRTXRY-WDEREUQCSA-N 1 0 341.412 -2.068 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)CC1 ZINC001081698961 686175376 /nfs/dbraw/zinc/17/53/76/686175376.db2.gz YVAFTGPVZATXCC-CMPLNLGQSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)CC1 ZINC001081698962 686175500 /nfs/dbraw/zinc/17/55/00/686175500.db2.gz YVAFTGPVZATXCC-JQWIXIFHSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)CC1 ZINC001081698963 686175658 /nfs/dbraw/zinc/17/56/58/686175658.db2.gz YVAFTGPVZATXCC-PWSUYJOCSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)CC1 ZINC001081698964 686175451 /nfs/dbraw/zinc/17/54/51/686175451.db2.gz YVAFTGPVZATXCC-ZYHUDNBSSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001081698993 686175340 /nfs/dbraw/zinc/17/53/40/686175340.db2.gz ZGSUOIZYULKJPH-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001081698994 686175739 /nfs/dbraw/zinc/17/57/39/686175739.db2.gz ZGSUOIZYULKJPH-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001081698995 686175616 /nfs/dbraw/zinc/17/56/16/686175616.db2.gz ZGSUOIZYULKJPH-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001081698996 686175527 /nfs/dbraw/zinc/17/55/27/686175527.db2.gz ZGSUOIZYULKJPH-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081699694 686175327 /nfs/dbraw/zinc/17/53/27/686175327.db2.gz AIHMGLYYIVGGNF-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699695 686175601 /nfs/dbraw/zinc/17/56/01/686175601.db2.gz AIHMGLYYIVGGNF-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699696 686175401 /nfs/dbraw/zinc/17/54/01/686175401.db2.gz AIHMGLYYIVGGNF-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699697 686175721 /nfs/dbraw/zinc/17/57/21/686175721.db2.gz AIHMGLYYIVGGNF-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081699830 686175459 /nfs/dbraw/zinc/17/54/59/686175459.db2.gz BSNVXYTWQLFPCL-CHWSQXEVSA-N 1 0 328.413 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699831 686175735 /nfs/dbraw/zinc/17/57/35/686175735.db2.gz BSNVXYTWQLFPCL-OLZOCXBDSA-N 1 0 328.413 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699832 686175652 /nfs/dbraw/zinc/17/56/52/686175652.db2.gz BSNVXYTWQLFPCL-QWHCGFSZSA-N 1 0 328.413 -1.600 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699833 686175689 /nfs/dbraw/zinc/17/56/89/686175689.db2.gz BSNVXYTWQLFPCL-STQMWFEESA-N 1 0 328.413 -1.600 20 0 EAADRO COCCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699994 686176246 /nfs/dbraw/zinc/17/62/46/686176246.db2.gz DJBZZQDKJZKFCO-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699995 686176039 /nfs/dbraw/zinc/17/60/39/686176039.db2.gz DJBZZQDKJZKFCO-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081699996 686176097 /nfs/dbraw/zinc/17/60/97/686176097.db2.gz DJBZZQDKJZKFCO-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCOCC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081699997 686176396 /nfs/dbraw/zinc/17/63/96/686176396.db2.gz DJBZZQDKJZKFCO-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O ZINC001081700150 686176163 /nfs/dbraw/zinc/17/61/63/686176163.db2.gz FVHMMSJKXXOHCS-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001081700151 686176050 /nfs/dbraw/zinc/17/60/50/686176050.db2.gz FVHMMSJKXXOHCS-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O ZINC001081700152 686175964 /nfs/dbraw/zinc/17/59/64/686175964.db2.gz FVHMMSJKXXOHCS-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001081700153 686176260 /nfs/dbraw/zinc/17/62/60/686176260.db2.gz FVHMMSJKXXOHCS-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO Cn1cc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)nn1 ZINC001081700286 686176398 /nfs/dbraw/zinc/17/63/98/686176398.db2.gz GWLWZTGVAAKWCI-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C2)nn1 ZINC001081700288 686176264 /nfs/dbraw/zinc/17/62/64/686176264.db2.gz GWLWZTGVAAKWCI-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)nn1 ZINC001081700289 686176273 /nfs/dbraw/zinc/17/62/73/686176273.db2.gz GWLWZTGVAAKWCI-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C2)nn1 ZINC001081700290 686176331 /nfs/dbraw/zinc/17/63/31/686176331.db2.gz GWLWZTGVAAKWCI-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081700866 686135257 /nfs/dbraw/zinc/13/52/57/686135257.db2.gz MOVBKMWNOUMCSM-NEPJUHHUSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081700867 686135311 /nfs/dbraw/zinc/13/53/11/686135311.db2.gz MOVBKMWNOUMCSM-NWDGAFQWSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081700868 686135332 /nfs/dbraw/zinc/13/53/32/686135332.db2.gz MOVBKMWNOUMCSM-RYUDHWBXSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C2)n1 ZINC001081700869 686135279 /nfs/dbraw/zinc/13/52/79/686135279.db2.gz MOVBKMWNOUMCSM-VXGBXAGGSA-N 1 0 338.412 -1.294 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700966 686135308 /nfs/dbraw/zinc/13/53/08/686135308.db2.gz NZNINFOTJTWSRD-KBPBESRZSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700967 686135203 /nfs/dbraw/zinc/13/52/03/686135203.db2.gz NZNINFOTJTWSRD-KGLIPLIRSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700968 686135271 /nfs/dbraw/zinc/13/52/71/686135271.db2.gz NZNINFOTJTWSRD-UONOGXRCSA-N 1 0 342.440 -1.258 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081700969 686135444 /nfs/dbraw/zinc/13/54/44/686135444.db2.gz NZNINFOTJTWSRD-ZIAGYGMSSA-N 1 0 342.440 -1.258 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081701026 686135228 /nfs/dbraw/zinc/13/52/28/686135228.db2.gz OZIQQEFHHMVIRT-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081701027 686135342 /nfs/dbraw/zinc/13/53/42/686135342.db2.gz OZIQQEFHHMVIRT-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001081701028 686135411 /nfs/dbraw/zinc/13/54/11/686135411.db2.gz OZIQQEFHHMVIRT-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001081701029 686135303 /nfs/dbraw/zinc/13/53/03/686135303.db2.gz OZIQQEFHHMVIRT-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701038 686135430 /nfs/dbraw/zinc/13/54/30/686135430.db2.gz OZUSGHIJOPDVSJ-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701039 686135439 /nfs/dbraw/zinc/13/54/39/686135439.db2.gz OZUSGHIJOPDVSJ-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701040 686135449 /nfs/dbraw/zinc/13/54/49/686135449.db2.gz OZUSGHIJOPDVSJ-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081701041 686135198 /nfs/dbraw/zinc/13/51/98/686135198.db2.gz OZUSGHIJOPDVSJ-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)c3cnon3)C[C@H]2O)CC1 ZINC001081701130 686135238 /nfs/dbraw/zinc/13/52/38/686135238.db2.gz QKKAPLCEIMTFCD-CMPLNLGQSA-N 1 0 337.380 -1.040 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)c3cnon3)C[C@@H]2O)CC1 ZINC001081701131 686135220 /nfs/dbraw/zinc/13/52/20/686135220.db2.gz QKKAPLCEIMTFCD-JQWIXIFHSA-N 1 0 337.380 -1.040 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)CC1 ZINC001081701132 686135241 /nfs/dbraw/zinc/13/52/41/686135241.db2.gz QKKAPLCEIMTFCD-PWSUYJOCSA-N 1 0 337.380 -1.040 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)CC1 ZINC001081701133 686135434 /nfs/dbraw/zinc/13/54/34/686135434.db2.gz QKKAPLCEIMTFCD-ZYHUDNBSSA-N 1 0 337.380 -1.040 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081701214 686135354 /nfs/dbraw/zinc/13/53/54/686135354.db2.gz RYFNTCHQQWYFAJ-CMPLNLGQSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081701215 686135210 /nfs/dbraw/zinc/13/52/10/686135210.db2.gz RYFNTCHQQWYFAJ-JQWIXIFHSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001081701216 686135319 /nfs/dbraw/zinc/13/53/19/686135319.db2.gz RYFNTCHQQWYFAJ-PWSUYJOCSA-N 1 0 325.369 -1.040 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001081701217 686135349 /nfs/dbraw/zinc/13/53/49/686135349.db2.gz RYFNTCHQQWYFAJ-ZYHUDNBSSA-N 1 0 325.369 -1.040 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081701306 686135407 /nfs/dbraw/zinc/13/54/07/686135407.db2.gz UERZCZBAQGUPKL-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C2)n1 ZINC001081701307 686135401 /nfs/dbraw/zinc/13/54/01/686135401.db2.gz UERZCZBAQGUPKL-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081701308 686135324 /nfs/dbraw/zinc/13/53/24/686135324.db2.gz UERZCZBAQGUPKL-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081701309 686135200 /nfs/dbraw/zinc/13/52/00/686135200.db2.gz UERZCZBAQGUPKL-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701334 686135292 /nfs/dbraw/zinc/13/52/92/686135292.db2.gz URYBYVKTBJPPLU-AAEUAGOBSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081701335 686135396 /nfs/dbraw/zinc/13/53/96/686135396.db2.gz URYBYVKTBJPPLU-DGCLKSJQSA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701336 686135276 /nfs/dbraw/zinc/13/52/76/686135276.db2.gz URYBYVKTBJPPLU-WCQYABFASA-N 1 0 338.412 -1.294 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701337 686135291 /nfs/dbraw/zinc/13/52/91/686135291.db2.gz URYBYVKTBJPPLU-YPMHNXCESA-N 1 0 338.412 -1.294 20 0 EAADRO COC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701406 686135460 /nfs/dbraw/zinc/13/54/60/686135460.db2.gz VMMYHVNWLTWSAI-NEPJUHHUSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701407 686135328 /nfs/dbraw/zinc/13/53/28/686135328.db2.gz VMMYHVNWLTWSAI-NWDGAFQWSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701408 686135252 /nfs/dbraw/zinc/13/52/52/686135252.db2.gz VMMYHVNWLTWSAI-RYUDHWBXSA-N 1 0 344.412 -1.380 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081701409 686135235 /nfs/dbraw/zinc/13/52/35/686135235.db2.gz VMMYHVNWLTWSAI-VXGBXAGGSA-N 1 0 344.412 -1.380 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081701454 686135296 /nfs/dbraw/zinc/13/52/96/686135296.db2.gz WAUATWMUSFDKJB-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701455 686135217 /nfs/dbraw/zinc/13/52/17/686135217.db2.gz WAUATWMUSFDKJB-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701456 686135246 /nfs/dbraw/zinc/13/52/46/686135246.db2.gz WAUATWMUSFDKJB-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701457 686135263 /nfs/dbraw/zinc/13/52/63/686135263.db2.gz WAUATWMUSFDKJB-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)CC1 ZINC001081701586 686135266 /nfs/dbraw/zinc/13/52/66/686135266.db2.gz XOXZZSZOSYJRCQ-GHMZBOCLSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)CC1 ZINC001081701587 686135380 /nfs/dbraw/zinc/13/53/80/686135380.db2.gz XOXZZSZOSYJRCQ-MNOVXSKESA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)CC1 ZINC001081701588 686135222 /nfs/dbraw/zinc/13/52/22/686135222.db2.gz XOXZZSZOSYJRCQ-QWRGUYRKSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)CC1 ZINC001081701589 686135273 /nfs/dbraw/zinc/13/52/73/686135273.db2.gz XOXZZSZOSYJRCQ-WDEREUQCSA-N 1 0 336.396 -1.304 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081701630 686135423 /nfs/dbraw/zinc/13/54/23/686135423.db2.gz YBKJPCBSDJJOEX-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081701631 686135226 /nfs/dbraw/zinc/13/52/26/686135226.db2.gz YBKJPCBSDJJOEX-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081701632 686135213 /nfs/dbraw/zinc/13/52/13/686135213.db2.gz YBKJPCBSDJJOEX-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081701633 686135362 /nfs/dbraw/zinc/13/53/62/686135362.db2.gz YBKJPCBSDJJOEX-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001081701985 686135950 /nfs/dbraw/zinc/13/59/50/686135950.db2.gz AEICZXHCRSPVSV-NEPJUHHUSA-N 1 0 342.440 -1.225 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001081701986 686135833 /nfs/dbraw/zinc/13/58/33/686135833.db2.gz AEICZXHCRSPVSV-NWDGAFQWSA-N 1 0 342.440 -1.225 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001081701987 686135874 /nfs/dbraw/zinc/13/58/74/686135874.db2.gz AEICZXHCRSPVSV-RYUDHWBXSA-N 1 0 342.440 -1.225 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001081701988 686135944 /nfs/dbraw/zinc/13/59/44/686135944.db2.gz AEICZXHCRSPVSV-VXGBXAGGSA-N 1 0 342.440 -1.225 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001081702193 686135880 /nfs/dbraw/zinc/13/58/80/686135880.db2.gz CAGIVLYDCMLOCA-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001081702194 686135958 /nfs/dbraw/zinc/13/59/58/686135958.db2.gz CAGIVLYDCMLOCA-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001081702195 686135908 /nfs/dbraw/zinc/13/59/08/686135908.db2.gz CAGIVLYDCMLOCA-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001081702196 686135966 /nfs/dbraw/zinc/13/59/66/686135966.db2.gz CAGIVLYDCMLOCA-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081702895 686135978 /nfs/dbraw/zinc/13/59/78/686135978.db2.gz JSMJSKLMPATPCG-NEPJUHHUSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081702896 686135827 /nfs/dbraw/zinc/13/58/27/686135827.db2.gz JSMJSKLMPATPCG-NWDGAFQWSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081702897 686135923 /nfs/dbraw/zinc/13/59/23/686135923.db2.gz JSMJSKLMPATPCG-RYUDHWBXSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081702898 686135971 /nfs/dbraw/zinc/13/59/71/686135971.db2.gz JSMJSKLMPATPCG-VXGBXAGGSA-N 1 0 343.428 -1.807 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001081703019 686135937 /nfs/dbraw/zinc/13/59/37/686135937.db2.gz LARXAAXVPNOOCR-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001081703020 686135972 /nfs/dbraw/zinc/13/59/72/686135972.db2.gz LARXAAXVPNOOCR-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001081703021 686135813 /nfs/dbraw/zinc/13/58/13/686135813.db2.gz LARXAAXVPNOOCR-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001081703022 686135955 /nfs/dbraw/zinc/13/59/55/686135955.db2.gz LARXAAXVPNOOCR-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081703275 686135932 /nfs/dbraw/zinc/13/59/32/686135932.db2.gz OQOSCYPEWQEMLI-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081703276 686135807 /nfs/dbraw/zinc/13/58/07/686135807.db2.gz OQOSCYPEWQEMLI-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081703277 686135946 /nfs/dbraw/zinc/13/59/46/686135946.db2.gz OQOSCYPEWQEMLI-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081703278 686135951 /nfs/dbraw/zinc/13/59/51/686135951.db2.gz OQOSCYPEWQEMLI-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001081703287 686135948 /nfs/dbraw/zinc/13/59/48/686135948.db2.gz OTFGRQOHNVLGQH-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001081703288 686135980 /nfs/dbraw/zinc/13/59/80/686135980.db2.gz OTFGRQOHNVLGQH-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001081703289 686135860 /nfs/dbraw/zinc/13/58/60/686135860.db2.gz OTFGRQOHNVLGQH-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001081703290 686135898 /nfs/dbraw/zinc/13/58/98/686135898.db2.gz OTFGRQOHNVLGQH-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O ZINC001081703303 686135957 /nfs/dbraw/zinc/13/59/57/686135957.db2.gz OVSNCZZJXWNZHJ-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC001081703304 686135963 /nfs/dbraw/zinc/13/59/63/686135963.db2.gz OVSNCZZJXWNZHJ-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O ZINC001081703305 686135801 /nfs/dbraw/zinc/13/58/01/686135801.db2.gz OVSNCZZJXWNZHJ-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC001081703306 686135857 /nfs/dbraw/zinc/13/58/57/686135857.db2.gz OVSNCZZJXWNZHJ-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O ZINC001081703579 686135996 /nfs/dbraw/zinc/13/59/96/686135996.db2.gz SFTCRPWESZZIET-NEPJUHHUSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1O ZINC001081703580 686135901 /nfs/dbraw/zinc/13/59/01/686135901.db2.gz SFTCRPWESZZIET-NWDGAFQWSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O ZINC001081703581 686135845 /nfs/dbraw/zinc/13/58/45/686135845.db2.gz SFTCRPWESZZIET-RYUDHWBXSA-N 1 0 343.428 -1.678 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1O ZINC001081703582 686135992 /nfs/dbraw/zinc/13/59/92/686135992.db2.gz SFTCRPWESZZIET-VXGBXAGGSA-N 1 0 343.428 -1.678 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081703583 686135974 /nfs/dbraw/zinc/13/59/74/686135974.db2.gz SFYJANRALMVFPT-CHWSQXEVSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703584 686135982 /nfs/dbraw/zinc/13/59/82/686135982.db2.gz SFYJANRALMVFPT-OLZOCXBDSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703585 686136540 /nfs/dbraw/zinc/13/65/40/686136540.db2.gz SFYJANRALMVFPT-QWHCGFSZSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703586 686136448 /nfs/dbraw/zinc/13/64/48/686136448.db2.gz SFYJANRALMVFPT-STQMWFEESA-N 1 0 342.440 -1.258 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C2)n1 ZINC001081703847 686136533 /nfs/dbraw/zinc/13/65/33/686136533.db2.gz VWTAXSSXVGNTQF-GHMZBOCLSA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081703848 686136421 /nfs/dbraw/zinc/13/64/21/686136421.db2.gz VWTAXSSXVGNTQF-MNOVXSKESA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081703849 686136210 /nfs/dbraw/zinc/13/62/10/686136210.db2.gz VWTAXSSXVGNTQF-QWRGUYRKSA-N 1 0 339.400 -1.899 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001081703850 686136497 /nfs/dbraw/zinc/13/64/97/686136497.db2.gz VWTAXSSXVGNTQF-WDEREUQCSA-N 1 0 339.400 -1.899 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081704099 686136344 /nfs/dbraw/zinc/13/63/44/686136344.db2.gz YREXTTJEWGVGDJ-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001081704100 686136407 /nfs/dbraw/zinc/13/64/07/686136407.db2.gz YREXTTJEWGVGDJ-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001081704101 686136440 /nfs/dbraw/zinc/13/64/40/686136440.db2.gz YREXTTJEWGVGDJ-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001081704102 686136593 /nfs/dbraw/zinc/13/65/93/686136593.db2.gz YREXTTJEWGVGDJ-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081712592 686138199 /nfs/dbraw/zinc/13/81/99/686138199.db2.gz ACSAHOCRBAHAJZ-CMPLNLGQSA-N 1 0 342.396 -2.482 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081712593 686138177 /nfs/dbraw/zinc/13/81/77/686138177.db2.gz ACSAHOCRBAHAJZ-JQWIXIFHSA-N 1 0 342.396 -2.482 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081712594 686138318 /nfs/dbraw/zinc/13/83/18/686138318.db2.gz ACSAHOCRBAHAJZ-PWSUYJOCSA-N 1 0 342.396 -2.482 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)CC1 ZINC001081712595 686138247 /nfs/dbraw/zinc/13/82/47/686138247.db2.gz ACSAHOCRBAHAJZ-ZYHUDNBSSA-N 1 0 342.396 -2.482 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)CC1 ZINC001081712624 686138244 /nfs/dbraw/zinc/13/82/44/686138244.db2.gz AROTZMKJJSWZHK-CHWSQXEVSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081712625 686138291 /nfs/dbraw/zinc/13/82/91/686138291.db2.gz AROTZMKJJSWZHK-OLZOCXBDSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081712626 686138404 /nfs/dbraw/zinc/13/84/04/686138404.db2.gz AROTZMKJJSWZHK-QWHCGFSZSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[NH+]1CCC(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081712627 686138315 /nfs/dbraw/zinc/13/83/15/686138315.db2.gz AROTZMKJJSWZHK-STQMWFEESA-N 1 0 340.424 -1.472 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001081712920 686139350 /nfs/dbraw/zinc/13/93/50/686139350.db2.gz DXUZPZMEWUSBLV-CMPLNLGQSA-N 1 0 331.332 -1.631 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC001081712921 686139431 /nfs/dbraw/zinc/13/94/31/686139431.db2.gz DXUZPZMEWUSBLV-JQWIXIFHSA-N 1 0 331.332 -1.631 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC001081712922 686139488 /nfs/dbraw/zinc/13/94/88/686139488.db2.gz DXUZPZMEWUSBLV-PWSUYJOCSA-N 1 0 331.332 -1.631 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001081712923 686139390 /nfs/dbraw/zinc/13/93/90/686139390.db2.gz DXUZPZMEWUSBLV-ZYHUDNBSSA-N 1 0 331.332 -1.631 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081712940 686139294 /nfs/dbraw/zinc/13/92/94/686139294.db2.gz FJWMSQYUXARRGG-BXKDBHETSA-N 1 0 335.364 -1.818 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081712941 686139445 /nfs/dbraw/zinc/13/94/45/686139445.db2.gz FJWMSQYUXARRGG-CABZTGNLSA-N 1 0 335.364 -1.818 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081712942 686139401 /nfs/dbraw/zinc/13/94/01/686139401.db2.gz FJWMSQYUXARRGG-JOYOIKCWSA-N 1 0 335.364 -1.818 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081712943 686139356 /nfs/dbraw/zinc/13/93/56/686139356.db2.gz FJWMSQYUXARRGG-SKDRFNHKSA-N 1 0 335.364 -1.818 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)cc1 ZINC001081713048 686140218 /nfs/dbraw/zinc/14/02/18/686140218.db2.gz GJSIEMJPANPHND-KBPBESRZSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)cc1 ZINC001081713049 686140057 /nfs/dbraw/zinc/14/00/57/686140057.db2.gz GJSIEMJPANPHND-KGLIPLIRSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)cc1 ZINC001081713050 686140092 /nfs/dbraw/zinc/14/00/92/686140092.db2.gz GJSIEMJPANPHND-UONOGXRCSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)cc1 ZINC001081713051 686139960 /nfs/dbraw/zinc/13/99/60/686139960.db2.gz GJSIEMJPANPHND-ZIAGYGMSSA-N 1 0 348.403 -1.217 20 0 EAADRO CCCCCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081713604 686141965 /nfs/dbraw/zinc/14/19/65/686141965.db2.gz MVRPTLGYFYUFFC-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO CCCCCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081713605 686141728 /nfs/dbraw/zinc/14/17/28/686141728.db2.gz MVRPTLGYFYUFFC-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO CCCCCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081713606 686141948 /nfs/dbraw/zinc/14/19/48/686141948.db2.gz MVRPTLGYFYUFFC-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO CCCCCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081713607 686141911 /nfs/dbraw/zinc/14/19/11/686141911.db2.gz MVRPTLGYFYUFFC-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081713688 686141853 /nfs/dbraw/zinc/14/18/53/686141853.db2.gz NVJTVAJZSKFTGP-GHMZBOCLSA-N 1 0 338.364 -1.624 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081713689 686141766 /nfs/dbraw/zinc/14/17/66/686141766.db2.gz NVJTVAJZSKFTGP-MNOVXSKESA-N 1 0 338.364 -1.624 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081713690 686141959 /nfs/dbraw/zinc/14/19/59/686141959.db2.gz NVJTVAJZSKFTGP-QWRGUYRKSA-N 1 0 338.364 -1.624 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081713691 686142010 /nfs/dbraw/zinc/14/20/10/686142010.db2.gz NVJTVAJZSKFTGP-WDEREUQCSA-N 1 0 338.364 -1.624 20 0 EAADRO CC1CC[NH+](CC(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081713728 686141709 /nfs/dbraw/zinc/14/17/09/686141709.db2.gz OFIBPCZIYTXIDC-NEPJUHHUSA-N 1 0 326.397 -1.861 20 0 EAADRO CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081713729 686142281 /nfs/dbraw/zinc/14/22/81/686142281.db2.gz OFIBPCZIYTXIDC-NWDGAFQWSA-N 1 0 326.397 -1.861 20 0 EAADRO CC1CC[NH+](CC(=O)N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001081713730 686142342 /nfs/dbraw/zinc/14/23/42/686142342.db2.gz OFIBPCZIYTXIDC-RYUDHWBXSA-N 1 0 326.397 -1.861 20 0 EAADRO CC1CC[NH+](CC(=O)N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)CC1 ZINC001081713731 686142418 /nfs/dbraw/zinc/14/24/18/686142418.db2.gz OFIBPCZIYTXIDC-VXGBXAGGSA-N 1 0 326.397 -1.861 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001081715337 686145787 /nfs/dbraw/zinc/14/57/87/686145787.db2.gz CRTJXHLZMUXECI-NEPJUHHUSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001081715338 686145851 /nfs/dbraw/zinc/14/58/51/686145851.db2.gz CRTJXHLZMUXECI-NWDGAFQWSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001081715339 686145862 /nfs/dbraw/zinc/14/58/62/686145862.db2.gz CRTJXHLZMUXECI-RYUDHWBXSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001081715340 686145829 /nfs/dbraw/zinc/14/58/29/686145829.db2.gz CRTJXHLZMUXECI-VXGBXAGGSA-N 1 0 326.397 -1.717 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081715593 686146465 /nfs/dbraw/zinc/14/64/65/686146465.db2.gz GTNUEKWERYEZFD-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081715594 686146201 /nfs/dbraw/zinc/14/62/01/686146201.db2.gz GTNUEKWERYEZFD-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081715595 686146459 /nfs/dbraw/zinc/14/64/59/686146459.db2.gz GTNUEKWERYEZFD-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001081715596 686146403 /nfs/dbraw/zinc/14/64/03/686146403.db2.gz GTNUEKWERYEZFD-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO CC(C)(C(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1)[NH+]1CCCC1 ZINC001081715635 686146878 /nfs/dbraw/zinc/14/68/78/686146878.db2.gz HGHYMZYXCWWEHW-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)(C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001081715636 686146934 /nfs/dbraw/zinc/14/69/34/686146934.db2.gz HGHYMZYXCWWEHW-MNOVXSKESA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)(C(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001081715637 686147007 /nfs/dbraw/zinc/14/70/07/686147007.db2.gz HGHYMZYXCWWEHW-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(C)(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001081715638 686146953 /nfs/dbraw/zinc/14/69/53/686146953.db2.gz HGHYMZYXCWWEHW-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081715811 686147637 /nfs/dbraw/zinc/14/76/37/686147637.db2.gz JURBHZBQZLVKTI-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081715812 686147565 /nfs/dbraw/zinc/14/75/65/686147565.db2.gz JURBHZBQZLVKTI-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081715813 686147462 /nfs/dbraw/zinc/14/74/62/686147462.db2.gz JURBHZBQZLVKTI-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001081715814 686147561 /nfs/dbraw/zinc/14/75/61/686147561.db2.gz JURBHZBQZLVKTI-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001081716087 686148564 /nfs/dbraw/zinc/14/85/64/686148564.db2.gz NBOISICSYRUIHF-CMPLNLGQSA-N 1 0 331.332 -1.631 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC001081716088 686148582 /nfs/dbraw/zinc/14/85/82/686148582.db2.gz NBOISICSYRUIHF-JQWIXIFHSA-N 1 0 331.332 -1.631 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC001081716089 686148545 /nfs/dbraw/zinc/14/85/45/686148545.db2.gz NBOISICSYRUIHF-PWSUYJOCSA-N 1 0 331.332 -1.631 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001081716090 686148536 /nfs/dbraw/zinc/14/85/36/686148536.db2.gz NBOISICSYRUIHF-ZYHUDNBSSA-N 1 0 331.332 -1.631 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001081716131 686148755 /nfs/dbraw/zinc/14/87/55/686148755.db2.gz NPZYVQTYEDVNMD-GHMZBOCLSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081716132 686148635 /nfs/dbraw/zinc/14/86/35/686148635.db2.gz NPZYVQTYEDVNMD-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081716133 686148571 /nfs/dbraw/zinc/14/85/71/686148571.db2.gz NPZYVQTYEDVNMD-QWRGUYRKSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081716134 686148695 /nfs/dbraw/zinc/14/86/95/686148695.db2.gz NPZYVQTYEDVNMD-WDEREUQCSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081716463 686149174 /nfs/dbraw/zinc/14/91/74/686149174.db2.gz PKJSZGUVPZASAN-GXTWGEPZSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081716464 686149177 /nfs/dbraw/zinc/14/91/77/686149177.db2.gz PKJSZGUVPZASAN-JSGCOSHPSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081716465 686149203 /nfs/dbraw/zinc/14/92/03/686149203.db2.gz PKJSZGUVPZASAN-OCCSQVGLSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081716466 686149119 /nfs/dbraw/zinc/14/91/19/686149119.db2.gz PKJSZGUVPZASAN-TZMCWYRMSA-N 1 0 348.403 -1.217 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081716721 686149885 /nfs/dbraw/zinc/14/98/85/686149885.db2.gz RADPALDMTSMSIC-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081716722 686149875 /nfs/dbraw/zinc/14/98/75/686149875.db2.gz RADPALDMTSMSIC-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081716723 686149777 /nfs/dbraw/zinc/14/97/77/686149777.db2.gz RADPALDMTSMSIC-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001081716724 686149736 /nfs/dbraw/zinc/14/97/36/686149736.db2.gz RADPALDMTSMSIC-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)c1 ZINC001081717218 686150665 /nfs/dbraw/zinc/15/06/65/686150665.db2.gz VGLCRNAZWUJKPB-KBPBESRZSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)c1 ZINC001081717219 686150637 /nfs/dbraw/zinc/15/06/37/686150637.db2.gz VGLCRNAZWUJKPB-KGLIPLIRSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)c1 ZINC001081717220 686150940 /nfs/dbraw/zinc/15/09/40/686150940.db2.gz VGLCRNAZWUJKPB-UONOGXRCSA-N 1 0 348.403 -1.217 20 0 EAADRO C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001081717221 686150842 /nfs/dbraw/zinc/15/08/42/686150842.db2.gz VGLCRNAZWUJKPB-ZIAGYGMSSA-N 1 0 348.403 -1.217 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081717274 686151424 /nfs/dbraw/zinc/15/14/24/686151424.db2.gz VUCVOFCRDQFHID-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081717275 686151381 /nfs/dbraw/zinc/15/13/81/686151381.db2.gz VUCVOFCRDQFHID-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081717276 686151286 /nfs/dbraw/zinc/15/12/86/686151286.db2.gz VUCVOFCRDQFHID-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001081717277 686151205 /nfs/dbraw/zinc/15/12/05/686151205.db2.gz VUCVOFCRDQFHID-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001081717302 686151454 /nfs/dbraw/zinc/15/14/54/686151454.db2.gz WGMKRBKMBQAGAU-NEPJUHHUSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001081717303 686151409 /nfs/dbraw/zinc/15/14/09/686151409.db2.gz WGMKRBKMBQAGAU-NWDGAFQWSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001081717304 686151456 /nfs/dbraw/zinc/15/14/56/686151456.db2.gz WGMKRBKMBQAGAU-RYUDHWBXSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001081717305 686151171 /nfs/dbraw/zinc/15/11/71/686151171.db2.gz WGMKRBKMBQAGAU-VXGBXAGGSA-N 1 0 326.397 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1O ZINC001081717414 686151892 /nfs/dbraw/zinc/15/18/92/686151892.db2.gz XPJAUWUJZNDDID-CHWSQXEVSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1O ZINC001081717415 686151896 /nfs/dbraw/zinc/15/18/96/686151896.db2.gz XPJAUWUJZNDDID-OLZOCXBDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1O ZINC001081717416 686151834 /nfs/dbraw/zinc/15/18/34/686151834.db2.gz XPJAUWUJZNDDID-QWHCGFSZSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1O ZINC001081717417 686151775 /nfs/dbraw/zinc/15/17/75/686151775.db2.gz XPJAUWUJZNDDID-STQMWFEESA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+](C)C1(CC(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CCCC1 ZINC001081717450 686151910 /nfs/dbraw/zinc/15/19/10/686151910.db2.gz YEUNIRMEXVYFJI-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)C1(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CCCC1 ZINC001081717451 686151975 /nfs/dbraw/zinc/15/19/75/686151975.db2.gz YEUNIRMEXVYFJI-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)C1(CC(=O)N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)CCCC1 ZINC001081717452 686151791 /nfs/dbraw/zinc/15/17/91/686151791.db2.gz YEUNIRMEXVYFJI-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)C1(CC(=O)N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)CCCC1 ZINC001081717453 686151947 /nfs/dbraw/zinc/15/19/47/686151947.db2.gz YEUNIRMEXVYFJI-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001081719135 686155580 /nfs/dbraw/zinc/15/55/80/686155580.db2.gz MYPXNFNMNLZXRV-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001081719136 686155395 /nfs/dbraw/zinc/15/53/95/686155395.db2.gz MYPXNFNMNLZXRV-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1)[NH+]1CCCCC1 ZINC001081719137 686155339 /nfs/dbraw/zinc/15/53/39/686155339.db2.gz MYPXNFNMNLZXRV-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1)[NH+]1CCCCC1 ZINC001081719138 686155539 /nfs/dbraw/zinc/15/55/39/686155539.db2.gz MYPXNFNMNLZXRV-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1O ZINC001081719175 686155444 /nfs/dbraw/zinc/15/54/44/686155444.db2.gz NKJSQBOUVLMQFX-NEPJUHHUSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O ZINC001081719176 686155469 /nfs/dbraw/zinc/15/54/69/686155469.db2.gz NKJSQBOUVLMQFX-NWDGAFQWSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1O ZINC001081719177 686155593 /nfs/dbraw/zinc/15/55/93/686155593.db2.gz NKJSQBOUVLMQFX-RYUDHWBXSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O ZINC001081719178 686155500 /nfs/dbraw/zinc/15/55/00/686155500.db2.gz NKJSQBOUVLMQFX-VXGBXAGGSA-N 1 0 338.408 -1.717 20 0 EAADRO CCn1cc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)nn1 ZINC001081720827 686157879 /nfs/dbraw/zinc/15/78/79/686157879.db2.gz BUKDXCMUPISWJV-AAEUAGOBSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1cc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)nn1 ZINC001081720828 686158150 /nfs/dbraw/zinc/15/81/50/686158150.db2.gz BUKDXCMUPISWJV-DGCLKSJQSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1cc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)nn1 ZINC001081720829 686158111 /nfs/dbraw/zinc/15/81/11/686158111.db2.gz BUKDXCMUPISWJV-WCQYABFASA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1cc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)nn1 ZINC001081720830 686158175 /nfs/dbraw/zinc/15/81/75/686158175.db2.gz BUKDXCMUPISWJV-YPMHNXCESA-N 1 0 338.412 -1.201 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081720855 686158333 /nfs/dbraw/zinc/15/83/33/686158333.db2.gz CILNMJCWAWVDJM-NEPJUHHUSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081720856 686158247 /nfs/dbraw/zinc/15/82/47/686158247.db2.gz CILNMJCWAWVDJM-NWDGAFQWSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001081720857 686158195 /nfs/dbraw/zinc/15/81/95/686158195.db2.gz CILNMJCWAWVDJM-RYUDHWBXSA-N 1 0 340.424 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001081720858 686158411 /nfs/dbraw/zinc/15/84/11/686158411.db2.gz CILNMJCWAWVDJM-VXGBXAGGSA-N 1 0 340.424 -1.472 20 0 EAADRO CN(CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1)c1cc[nH+]cc1 ZINC001081721043 686158382 /nfs/dbraw/zinc/15/83/82/686158382.db2.gz FSYDSVAOMANSAZ-AAEUAGOBSA-N 1 0 349.391 -1.671 20 0 EAADRO CN(CCC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1)c1cc[nH+]cc1 ZINC001081721044 686158229 /nfs/dbraw/zinc/15/82/29/686158229.db2.gz FSYDSVAOMANSAZ-DGCLKSJQSA-N 1 0 349.391 -1.671 20 0 EAADRO CN(CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1)c1cc[nH+]cc1 ZINC001081721045 686158428 /nfs/dbraw/zinc/15/84/28/686158428.db2.gz FSYDSVAOMANSAZ-WCQYABFASA-N 1 0 349.391 -1.671 20 0 EAADRO CN(CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1)c1cc[nH+]cc1 ZINC001081721046 686158367 /nfs/dbraw/zinc/15/83/67/686158367.db2.gz FSYDSVAOMANSAZ-YPMHNXCESA-N 1 0 349.391 -1.671 20 0 EAADRO Cc1c(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001081721107 686158809 /nfs/dbraw/zinc/15/88/09/686158809.db2.gz GNOBZXYWMYVIAI-GWCFXTLKSA-N 1 0 345.359 -1.323 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001081721108 686158656 /nfs/dbraw/zinc/15/86/56/686158656.db2.gz GNOBZXYWMYVIAI-GXFFZTMASA-N 1 0 345.359 -1.323 20 0 EAADRO Cc1c(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001081721109 686158911 /nfs/dbraw/zinc/15/89/11/686158911.db2.gz GNOBZXYWMYVIAI-MFKMUULPSA-N 1 0 345.359 -1.323 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)ccc2c[nH+]cn21 ZINC001081721110 686158814 /nfs/dbraw/zinc/15/88/14/686158814.db2.gz GNOBZXYWMYVIAI-ZWNOBZJWSA-N 1 0 345.359 -1.323 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1)CC(C)(C)C ZINC001081721511 686159886 /nfs/dbraw/zinc/15/98/86/686159886.db2.gz MDRBYBPOFNZWND-GHMZBOCLSA-N 1 0 328.413 -1.615 20 0 EAADRO C[N@H+](CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1)CC(C)(C)C ZINC001081721512 686159878 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339.396 -1.192 20 0 EAADRO Cc1nonc1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081724945 686165057 /nfs/dbraw/zinc/16/50/57/686165057.db2.gz OZNUCUIAOPOESZ-WCQYABFASA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nonc1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081724946 686165171 /nfs/dbraw/zinc/16/51/71/686165171.db2.gz OZNUCUIAOPOESZ-YPMHNXCESA-N 1 0 339.396 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O ZINC001081726413 686166289 /nfs/dbraw/zinc/16/62/89/686166289.db2.gz AYZWABWQBSXLPN-KBPBESRZSA-N 1 0 336.392 -1.179 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O ZINC001081726414 686166142 /nfs/dbraw/zinc/16/61/42/686166142.db2.gz AYZWABWQBSXLPN-KGLIPLIRSA-N 1 0 336.392 -1.179 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O ZINC001081726415 686166442 /nfs/dbraw/zinc/16/64/42/686166442.db2.gz AYZWABWQBSXLPN-UONOGXRCSA-N 1 0 336.392 -1.179 20 0 EAADRO 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ZINC001081726581 686166238 /nfs/dbraw/zinc/16/62/38/686166238.db2.gz CXDMFQMOQIYKCN-CHWSQXEVSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O ZINC001081726582 686166391 /nfs/dbraw/zinc/16/63/91/686166391.db2.gz CXDMFQMOQIYKCN-OLZOCXBDSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1O ZINC001081726583 686166305 /nfs/dbraw/zinc/16/63/05/686166305.db2.gz CXDMFQMOQIYKCN-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O ZINC001081726584 686166230 /nfs/dbraw/zinc/16/62/30/686166230.db2.gz CXDMFQMOQIYKCN-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081727293 686166371 /nfs/dbraw/zinc/16/63/71/686166371.db2.gz OBTFAECLQGDDGY-CHWSQXEVSA-N 1 0 328.413 -1.648 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081727294 686166659 /nfs/dbraw/zinc/16/66/59/686166659.db2.gz OBTFAECLQGDDGY-OLZOCXBDSA-N 1 0 328.413 -1.648 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081727295 686166932 /nfs/dbraw/zinc/16/69/32/686166932.db2.gz OBTFAECLQGDDGY-QWHCGFSZSA-N 1 0 328.413 -1.648 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081727296 686166695 /nfs/dbraw/zinc/16/66/95/686166695.db2.gz OBTFAECLQGDDGY-STQMWFEESA-N 1 0 328.413 -1.648 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1O ZINC001081727437 686166665 /nfs/dbraw/zinc/16/66/65/686166665.db2.gz PZUQOBPMPNBGCF-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1O ZINC001081727438 686166726 /nfs/dbraw/zinc/16/67/26/686166726.db2.gz PZUQOBPMPNBGCF-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1O ZINC001081727439 686166821 /nfs/dbraw/zinc/16/68/21/686166821.db2.gz PZUQOBPMPNBGCF-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1O ZINC001081727440 686166789 /nfs/dbraw/zinc/16/67/89/686166789.db2.gz PZUQOBPMPNBGCF-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O ZINC001081727557 686166767 /nfs/dbraw/zinc/16/67/67/686166767.db2.gz RHRBPZANLQXGTB-NEPJUHHUSA-N 1 0 327.381 -1.238 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1O ZINC001081727558 686166810 /nfs/dbraw/zinc/16/68/10/686166810.db2.gz RHRBPZANLQXGTB-NWDGAFQWSA-N 1 0 327.381 -1.238 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O ZINC001081727559 686166922 /nfs/dbraw/zinc/16/69/22/686166922.db2.gz RHRBPZANLQXGTB-RYUDHWBXSA-N 1 0 327.381 -1.238 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O ZINC001081727560 686166751 /nfs/dbraw/zinc/16/67/51/686166751.db2.gz RHRBPZANLQXGTB-VXGBXAGGSA-N 1 0 327.381 -1.238 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081727673 686166827 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EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1O ZINC001081727903 686166880 /nfs/dbraw/zinc/16/68/80/686166880.db2.gz WKLAFFPSTDOTFZ-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O ZINC001081727904 686166863 /nfs/dbraw/zinc/16/68/63/686166863.db2.gz WKLAFFPSTDOTFZ-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081728224 686166945 /nfs/dbraw/zinc/16/69/45/686166945.db2.gz ZQRYTQPLOFRHPO-GHMZBOCLSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081728225 686166707 /nfs/dbraw/zinc/16/67/07/686166707.db2.gz ZQRYTQPLOFRHPO-MNOVXSKESA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001081728226 686166964 /nfs/dbraw/zinc/16/69/64/686166964.db2.gz ZQRYTQPLOFRHPO-QWRGUYRKSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001081728227 686166762 /nfs/dbraw/zinc/16/67/62/686166762.db2.gz ZQRYTQPLOFRHPO-WDEREUQCSA-N 1 0 325.373 -2.440 20 0 EAADRO CCn1nncc1C(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081728772 686166711 /nfs/dbraw/zinc/16/67/11/686166711.db2.gz ASPZYXIKRUQRKG-AAEUAGOBSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081728773 686166918 /nfs/dbraw/zinc/16/69/18/686166918.db2.gz ASPZYXIKRUQRKG-DGCLKSJQSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081728774 686166857 /nfs/dbraw/zinc/16/68/57/686166857.db2.gz ASPZYXIKRUQRKG-WCQYABFASA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1nncc1C(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081728775 686166715 /nfs/dbraw/zinc/16/67/15/686166715.db2.gz ASPZYXIKRUQRKG-YPMHNXCESA-N 1 0 338.412 -1.201 20 0 EAADRO Cc1c(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)nnn1C ZINC001081728888 686166873 /nfs/dbraw/zinc/16/68/73/686166873.db2.gz CQFIKJHYDOTTSA-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)nnn1C ZINC001081728889 686166943 /nfs/dbraw/zinc/16/69/43/686166943.db2.gz CQFIKJHYDOTTSA-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO Cc1c(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)nnn1C ZINC001081728890 686166930 /nfs/dbraw/zinc/16/69/30/686166930.db2.gz CQFIKJHYDOTTSA-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO Cc1c(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)nnn1C ZINC001081728891 686166669 /nfs/dbraw/zinc/16/66/69/686166669.db2.gz CQFIKJHYDOTTSA-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1O ZINC001081728944 686166802 /nfs/dbraw/zinc/16/68/02/686166802.db2.gz DAHSLXMHSWDEKG-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1O ZINC001081728945 686166901 /nfs/dbraw/zinc/16/69/01/686166901.db2.gz DAHSLXMHSWDEKG-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1O ZINC001081728946 686166654 /nfs/dbraw/zinc/16/66/54/686166654.db2.gz DAHSLXMHSWDEKG-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1O ZINC001081728947 686166923 /nfs/dbraw/zinc/16/69/23/686166923.db2.gz DAHSLXMHSWDEKG-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1O ZINC001081728980 686166700 /nfs/dbraw/zinc/16/67/00/686166700.db2.gz DTMPCMSQZHJOSQ-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1O ZINC001081728981 686166770 /nfs/dbraw/zinc/16/67/70/686166770.db2.gz DTMPCMSQZHJOSQ-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1O ZINC001081728982 686166840 /nfs/dbraw/zinc/16/68/40/686166840.db2.gz DTMPCMSQZHJOSQ-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1O ZINC001081728983 686166687 /nfs/dbraw/zinc/16/66/87/686166687.db2.gz DTMPCMSQZHJOSQ-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729104 686166948 /nfs/dbraw/zinc/16/69/48/686166948.db2.gz GDGHCIZCOZMTEG-GXTWGEPZSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729105 686166797 /nfs/dbraw/zinc/16/67/97/686166797.db2.gz GDGHCIZCOZMTEG-JSGCOSHPSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729106 686166806 /nfs/dbraw/zinc/16/68/06/686166806.db2.gz GDGHCIZCOZMTEG-OCCSQVGLSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081729107 686166868 /nfs/dbraw/zinc/16/68/68/686166868.db2.gz GDGHCIZCOZMTEG-TZMCWYRMSA-N 1 0 337.424 -1.150 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)o1 ZINC001081729192 686166939 /nfs/dbraw/zinc/16/69/39/686166939.db2.gz HSZNILRAUGFKRU-NEPJUHHUSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)o1 ZINC001081729193 686166955 /nfs/dbraw/zinc/16/69/55/686166955.db2.gz HSZNILRAUGFKRU-NWDGAFQWSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)o1 ZINC001081729194 686166738 /nfs/dbraw/zinc/16/67/38/686166738.db2.gz HSZNILRAUGFKRU-RYUDHWBXSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)o1 ZINC001081729195 686166758 /nfs/dbraw/zinc/16/67/58/686166758.db2.gz HSZNILRAUGFKRU-VXGBXAGGSA-N 1 0 339.396 -1.192 20 0 EAADRO CCn1ncc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001081729280 686167225 /nfs/dbraw/zinc/16/72/25/686167225.db2.gz IOWMDMRJWUWYAU-AAEUAGOBSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001081729281 686167292 /nfs/dbraw/zinc/16/72/92/686167292.db2.gz IOWMDMRJWUWYAU-DGCLKSJQSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001081729282 686167425 /nfs/dbraw/zinc/16/74/25/686167425.db2.gz IOWMDMRJWUWYAU-WCQYABFASA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1ncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001081729283 686167391 /nfs/dbraw/zinc/16/73/91/686167391.db2.gz IOWMDMRJWUWYAU-YPMHNXCESA-N 1 0 338.412 -1.201 20 0 EAADRO Cn1cc(CC(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001081729304 686167428 /nfs/dbraw/zinc/16/74/28/686167428.db2.gz IYJKGGSLIMBKAU-KBPBESRZSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cc(CC(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001081729305 686167393 /nfs/dbraw/zinc/16/73/93/686167393.db2.gz IYJKGGSLIMBKAU-KGLIPLIRSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001081729306 686167248 /nfs/dbraw/zinc/16/72/48/686167248.db2.gz IYJKGGSLIMBKAU-UONOGXRCSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)cn1 ZINC001081729307 686167274 /nfs/dbraw/zinc/16/72/74/686167274.db2.gz IYJKGGSLIMBKAU-ZIAGYGMSSA-N 1 0 337.424 -1.150 20 0 EAADRO CNC(=O)CCCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081729336 686167244 /nfs/dbraw/zinc/16/72/44/686167244.db2.gz JDODETQURKESAJ-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729337 686167383 /nfs/dbraw/zinc/16/73/83/686167383.db2.gz JDODETQURKESAJ-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729338 686167405 /nfs/dbraw/zinc/16/74/05/686167405.db2.gz JDODETQURKESAJ-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729339 686167331 /nfs/dbraw/zinc/16/73/31/686167331.db2.gz JDODETQURKESAJ-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1O ZINC001081729404 686167347 /nfs/dbraw/zinc/16/73/47/686167347.db2.gz JXIPJPUFTMZKKT-GHMZBOCLSA-N 1 0 336.396 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1O ZINC001081729405 686167398 /nfs/dbraw/zinc/16/73/98/686167398.db2.gz JXIPJPUFTMZKKT-MNOVXSKESA-N 1 0 336.396 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1O ZINC001081729406 686167421 /nfs/dbraw/zinc/16/74/21/686167421.db2.gz JXIPJPUFTMZKKT-QWRGUYRKSA-N 1 0 336.396 -1.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1O ZINC001081729407 686167288 /nfs/dbraw/zinc/16/72/88/686167288.db2.gz JXIPJPUFTMZKKT-WDEREUQCSA-N 1 0 336.396 -1.440 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001081729460 686167448 /nfs/dbraw/zinc/16/74/48/686167448.db2.gz KNCOICGHJIPWGY-GXTWGEPZSA-N 1 0 340.424 -1.648 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001081729461 686167326 /nfs/dbraw/zinc/16/73/26/686167326.db2.gz KNCOICGHJIPWGY-JSGCOSHPSA-N 1 0 340.424 -1.648 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001081729462 686167370 /nfs/dbraw/zinc/16/73/70/686167370.db2.gz KNCOICGHJIPWGY-OCCSQVGLSA-N 1 0 340.424 -1.648 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)C1 ZINC001081729463 686167354 /nfs/dbraw/zinc/16/73/54/686167354.db2.gz KNCOICGHJIPWGY-TZMCWYRMSA-N 1 0 340.424 -1.648 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729660 686167443 /nfs/dbraw/zinc/16/74/43/686167443.db2.gz NIIWLKZMOHVGQY-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729661 686167395 /nfs/dbraw/zinc/16/73/95/686167395.db2.gz NIIWLKZMOHVGQY-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081729662 686167386 /nfs/dbraw/zinc/16/73/86/686167386.db2.gz NIIWLKZMOHVGQY-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081729663 686167389 /nfs/dbraw/zinc/16/73/89/686167389.db2.gz NIIWLKZMOHVGQY-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO COCCOCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081730015 686167402 /nfs/dbraw/zinc/16/74/02/686167402.db2.gz PXJFBEQEKYWBBT-CHWSQXEVSA-N 1 0 331.413 -1.463 20 0 EAADRO COCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730016 686167313 /nfs/dbraw/zinc/16/73/13/686167313.db2.gz PXJFBEQEKYWBBT-OLZOCXBDSA-N 1 0 331.413 -1.463 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730017 686167360 /nfs/dbraw/zinc/16/73/60/686167360.db2.gz PXJFBEQEKYWBBT-QWHCGFSZSA-N 1 0 331.413 -1.463 20 0 EAADRO COCCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730018 686167300 /nfs/dbraw/zinc/16/73/00/686167300.db2.gz PXJFBEQEKYWBBT-STQMWFEESA-N 1 0 331.413 -1.463 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1O ZINC001081730148 686167341 /nfs/dbraw/zinc/16/73/41/686167341.db2.gz QJNWFKWZJFHGOL-KBPBESRZSA-N 1 0 342.440 -1.794 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1O ZINC001081730149 686167321 /nfs/dbraw/zinc/16/73/21/686167321.db2.gz QJNWFKWZJFHGOL-KGLIPLIRSA-N 1 0 342.440 -1.794 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1O ZINC001081730150 686167380 /nfs/dbraw/zinc/16/73/80/686167380.db2.gz QJNWFKWZJFHGOL-UONOGXRCSA-N 1 0 342.440 -1.794 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1O ZINC001081730151 686167440 /nfs/dbraw/zinc/16/74/40/686167440.db2.gz QJNWFKWZJFHGOL-ZIAGYGMSSA-N 1 0 342.440 -1.794 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730263 686167429 /nfs/dbraw/zinc/16/74/29/686167429.db2.gz QXVVOAOKZVTRRZ-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730265 686167338 /nfs/dbraw/zinc/16/73/38/686167338.db2.gz QXVVOAOKZVTRRZ-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730266 686167344 /nfs/dbraw/zinc/16/73/44/686167344.db2.gz QXVVOAOKZVTRRZ-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081730268 686167372 /nfs/dbraw/zinc/16/73/72/686167372.db2.gz QXVVOAOKZVTRRZ-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)c1N ZINC001081730472 686167419 /nfs/dbraw/zinc/16/74/19/686167419.db2.gz SSSMTPGPMAXNRF-CMPLNLGQSA-N 1 0 338.412 -1.497 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)c1N ZINC001081730473 686167284 /nfs/dbraw/zinc/16/72/84/686167284.db2.gz SSSMTPGPMAXNRF-JQWIXIFHSA-N 1 0 338.412 -1.497 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)c1N ZINC001081730474 686167407 /nfs/dbraw/zinc/16/74/07/686167407.db2.gz SSSMTPGPMAXNRF-PWSUYJOCSA-N 1 0 338.412 -1.497 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)c1N ZINC001081730475 686167417 /nfs/dbraw/zinc/16/74/17/686167417.db2.gz SSSMTPGPMAXNRF-ZYHUDNBSSA-N 1 0 338.412 -1.497 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730492 686167447 /nfs/dbraw/zinc/16/74/47/686167447.db2.gz SVZVNYFDYLJIME-NEPJUHHUSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730493 686167270 /nfs/dbraw/zinc/16/72/70/686167270.db2.gz SVZVNYFDYLJIME-NWDGAFQWSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730494 686167261 /nfs/dbraw/zinc/16/72/61/686167261.db2.gz SVZVNYFDYLJIME-RYUDHWBXSA-N 1 0 343.428 -1.807 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081730495 686167233 /nfs/dbraw/zinc/16/72/33/686167233.db2.gz SVZVNYFDYLJIME-VXGBXAGGSA-N 1 0 343.428 -1.807 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1O ZINC001081730512 686167376 /nfs/dbraw/zinc/16/73/76/686167376.db2.gz UHDHCISSHRMDMB-GHMZBOCLSA-N 1 0 340.384 -2.129 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1O ZINC001081730513 686167361 /nfs/dbraw/zinc/16/73/61/686167361.db2.gz UHDHCISSHRMDMB-MNOVXSKESA-N 1 0 340.384 -2.129 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1O ZINC001081730514 686167278 /nfs/dbraw/zinc/16/72/78/686167278.db2.gz UHDHCISSHRMDMB-QWRGUYRKSA-N 1 0 340.384 -2.129 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1O ZINC001081730515 686167451 /nfs/dbraw/zinc/16/74/51/686167451.db2.gz UHDHCISSHRMDMB-WDEREUQCSA-N 1 0 340.384 -2.129 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O ZINC001081730700 686167352 /nfs/dbraw/zinc/16/73/52/686167352.db2.gz VZFWCJHJTCILGH-KBPBESRZSA-N 1 0 335.408 -1.094 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O ZINC001081730701 686167411 /nfs/dbraw/zinc/16/74/11/686167411.db2.gz VZFWCJHJTCILGH-KGLIPLIRSA-N 1 0 335.408 -1.094 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2cncnc2)C[C@H]1O ZINC001081730702 686167305 /nfs/dbraw/zinc/16/73/05/686167305.db2.gz VZFWCJHJTCILGH-UONOGXRCSA-N 1 0 335.408 -1.094 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1O ZINC001081730703 686167400 /nfs/dbraw/zinc/16/74/00/686167400.db2.gz VZFWCJHJTCILGH-ZIAGYGMSSA-N 1 0 335.408 -1.094 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081730804 686167363 /nfs/dbraw/zinc/16/73/63/686167363.db2.gz WSUZLMCIHRPMHM-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730805 686167256 /nfs/dbraw/zinc/16/72/56/686167256.db2.gz WSUZLMCIHRPMHM-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730807 686168111 /nfs/dbraw/zinc/16/81/11/686168111.db2.gz WSUZLMCIHRPMHM-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081730809 686168114 /nfs/dbraw/zinc/16/81/14/686168114.db2.gz WSUZLMCIHRPMHM-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001081730824 686168070 /nfs/dbraw/zinc/16/80/70/686168070.db2.gz WVHRNHRXLVDYEP-GHMZBOCLSA-N 1 0 335.426 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O ZINC001081730825 686167903 /nfs/dbraw/zinc/16/79/03/686167903.db2.gz WVHRNHRXLVDYEP-MNOVXSKESA-N 1 0 335.426 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O ZINC001081730826 686167727 /nfs/dbraw/zinc/16/77/27/686167727.db2.gz WVHRNHRXLVDYEP-QWRGUYRKSA-N 1 0 335.426 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001081730827 686168133 /nfs/dbraw/zinc/16/81/33/686168133.db2.gz WVHRNHRXLVDYEP-WDEREUQCSA-N 1 0 335.426 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1O ZINC001081730924 686168126 /nfs/dbraw/zinc/16/81/26/686168126.db2.gz XAYDQMDEWJAVLB-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1O ZINC001081730925 686168053 /nfs/dbraw/zinc/16/80/53/686168053.db2.gz XAYDQMDEWJAVLB-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1O ZINC001081730926 686168027 /nfs/dbraw/zinc/16/80/27/686168027.db2.gz XAYDQMDEWJAVLB-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1O ZINC001081730927 686167829 /nfs/dbraw/zinc/16/78/29/686167829.db2.gz XAYDQMDEWJAVLB-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081731200 686167938 /nfs/dbraw/zinc/16/79/38/686167938.db2.gz YVEGUWQBQWFGOE-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731201 686168056 /nfs/dbraw/zinc/16/80/56/686168056.db2.gz YVEGUWQBQWFGOE-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731202 686167807 /nfs/dbraw/zinc/16/78/07/686167807.db2.gz YVEGUWQBQWFGOE-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731203 686167841 /nfs/dbraw/zinc/16/78/41/686167841.db2.gz YVEGUWQBQWFGOE-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)cc1=O ZINC001081731290 686167736 /nfs/dbraw/zinc/16/77/36/686167736.db2.gz ZKZRMFMDTCBMRL-GHMZBOCLSA-N 1 0 340.380 -1.521 20 0 EAADRO Cn1oc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001081731292 686167779 /nfs/dbraw/zinc/16/77/79/686167779.db2.gz ZKZRMFMDTCBMRL-MNOVXSKESA-N 1 0 340.380 -1.521 20 0 EAADRO Cn1oc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001081731293 686167894 /nfs/dbraw/zinc/16/78/94/686167894.db2.gz ZKZRMFMDTCBMRL-QWRGUYRKSA-N 1 0 340.380 -1.521 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1=O ZINC001081731295 686167885 /nfs/dbraw/zinc/16/78/85/686167885.db2.gz ZKZRMFMDTCBMRL-WDEREUQCSA-N 1 0 340.380 -1.521 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O ZINC001081731936 686167754 /nfs/dbraw/zinc/16/77/54/686167754.db2.gz ALFFNFUULFINCY-CMPLNLGQSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC001081731937 686167773 /nfs/dbraw/zinc/16/77/73/686167773.db2.gz ALFFNFUULFINCY-JQWIXIFHSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O ZINC001081731938 686168009 /nfs/dbraw/zinc/16/80/09/686168009.db2.gz ALFFNFUULFINCY-PWSUYJOCSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O ZINC001081731939 686167898 /nfs/dbraw/zinc/16/78/98/686167898.db2.gz ALFFNFUULFINCY-ZYHUDNBSSA-N 1 0 337.380 -1.729 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O ZINC001081731968 686167822 /nfs/dbraw/zinc/16/78/22/686167822.db2.gz ARSLQPWOMRXDQQ-CMPLNLGQSA-N 1 0 347.437 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O ZINC001081731969 686167760 /nfs/dbraw/zinc/16/77/60/686167760.db2.gz ARSLQPWOMRXDQQ-JQWIXIFHSA-N 1 0 347.437 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O ZINC001081731970 686168023 /nfs/dbraw/zinc/16/80/23/686168023.db2.gz ARSLQPWOMRXDQQ-PWSUYJOCSA-N 1 0 347.437 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O ZINC001081731971 686167958 /nfs/dbraw/zinc/16/79/58/686167958.db2.gz ARSLQPWOMRXDQQ-ZYHUDNBSSA-N 1 0 347.437 -2.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1O ZINC001081732000 686167846 /nfs/dbraw/zinc/16/78/46/686167846.db2.gz BHUURBDWUFDLKR-AAEUAGOBSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1O ZINC001081732001 686168087 /nfs/dbraw/zinc/16/80/87/686168087.db2.gz BHUURBDWUFDLKR-DGCLKSJQSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1O ZINC001081732002 686168059 /nfs/dbraw/zinc/16/80/59/686168059.db2.gz BHUURBDWUFDLKR-WCQYABFASA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1O ZINC001081732003 686167907 /nfs/dbraw/zinc/16/79/07/686167907.db2.gz BHUURBDWUFDLKR-YPMHNXCESA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081732084 686168284 /nfs/dbraw/zinc/16/82/84/686168284.db2.gz CLJQPLSEXOGHFK-GHMZBOCLSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081732085 686168278 /nfs/dbraw/zinc/16/82/78/686168278.db2.gz CLJQPLSEXOGHFK-MNOVXSKESA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001081732086 686168274 /nfs/dbraw/zinc/16/82/74/686168274.db2.gz CLJQPLSEXOGHFK-QWRGUYRKSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001081732087 686168660 /nfs/dbraw/zinc/16/86/60/686168660.db2.gz CLJQPLSEXOGHFK-WDEREUQCSA-N 1 0 326.397 -1.861 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1O ZINC001081732140 686168330 /nfs/dbraw/zinc/16/83/30/686168330.db2.gz DALBMDYUTDJWBW-GHMZBOCLSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O ZINC001081732141 686168311 /nfs/dbraw/zinc/16/83/11/686168311.db2.gz DALBMDYUTDJWBW-MNOVXSKESA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O ZINC001081732142 686168578 /nfs/dbraw/zinc/16/85/78/686168578.db2.gz DALBMDYUTDJWBW-QWRGUYRKSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1O ZINC001081732143 686168360 /nfs/dbraw/zinc/16/83/60/686168360.db2.gz DALBMDYUTDJWBW-WDEREUQCSA-N 1 0 329.401 -2.068 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001081732344 686168429 /nfs/dbraw/zinc/16/84/29/686168429.db2.gz GRDBDKBIOURMOB-CMPLNLGQSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC001081732345 686168484 /nfs/dbraw/zinc/16/84/84/686168484.db2.gz GRDBDKBIOURMOB-JQWIXIFHSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC001081732346 686168679 /nfs/dbraw/zinc/16/86/79/686168679.db2.gz GRDBDKBIOURMOB-PWSUYJOCSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001081732347 686168471 /nfs/dbraw/zinc/16/84/71/686168471.db2.gz GRDBDKBIOURMOB-ZYHUDNBSSA-N 1 0 337.380 -1.317 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001081732412 686168800 /nfs/dbraw/zinc/16/88/00/686168800.db2.gz HHFMWVSWZPFHAS-GXTWGEPZSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001081732413 686168768 /nfs/dbraw/zinc/16/87/68/686168768.db2.gz HHFMWVSWZPFHAS-JSGCOSHPSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001081732414 686168756 /nfs/dbraw/zinc/16/87/56/686168756.db2.gz HHFMWVSWZPFHAS-OCCSQVGLSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001081732415 686168544 /nfs/dbraw/zinc/16/85/44/686168544.db2.gz HHFMWVSWZPFHAS-TZMCWYRMSA-N 1 0 337.424 -1.150 20 0 EAADRO COCCCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732436 686168563 /nfs/dbraw/zinc/16/85/63/686168563.db2.gz HNYQSTQERIGWNH-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732437 686168718 /nfs/dbraw/zinc/16/87/18/686168718.db2.gz HNYQSTQERIGWNH-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732438 686168366 /nfs/dbraw/zinc/16/83/66/686168366.db2.gz HNYQSTQERIGWNH-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081732439 686168622 /nfs/dbraw/zinc/16/86/22/686168622.db2.gz HNYQSTQERIGWNH-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O ZINC001081732504 686168400 /nfs/dbraw/zinc/16/84/00/686168400.db2.gz ICNDJKYIYYEEBD-NEPJUHHUSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1O ZINC001081732505 686168441 /nfs/dbraw/zinc/16/84/41/686168441.db2.gz ICNDJKYIYYEEBD-NWDGAFQWSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O ZINC001081732506 686168315 /nfs/dbraw/zinc/16/83/15/686168315.db2.gz ICNDJKYIYYEEBD-RYUDHWBXSA-N 1 0 339.400 -2.050 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1O ZINC001081732507 686168572 /nfs/dbraw/zinc/16/85/72/686168572.db2.gz ICNDJKYIYYEEBD-VXGBXAGGSA-N 1 0 339.400 -2.050 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081732612 686168260 /nfs/dbraw/zinc/16/82/60/686168260.db2.gz JGPBMFDWLDODPX-GHMZBOCLSA-N 1 0 339.396 -1.075 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732613 686168379 /nfs/dbraw/zinc/16/83/79/686168379.db2.gz JGPBMFDWLDODPX-MNOVXSKESA-N 1 0 339.396 -1.075 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732614 686168265 /nfs/dbraw/zinc/16/82/65/686168265.db2.gz JGPBMFDWLDODPX-QWRGUYRKSA-N 1 0 339.396 -1.075 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732615 686168835 /nfs/dbraw/zinc/16/88/35/686168835.db2.gz JGPBMFDWLDODPX-WDEREUQCSA-N 1 0 339.396 -1.075 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001081732632 686168385 /nfs/dbraw/zinc/16/83/85/686168385.db2.gz JKWMSYNPJHRYKE-GHMZBOCLSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001081732633 686168503 /nfs/dbraw/zinc/16/85/03/686168503.db2.gz JKWMSYNPJHRYKE-MNOVXSKESA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC001081732634 686168640 /nfs/dbraw/zinc/16/86/40/686168640.db2.gz JKWMSYNPJHRYKE-QWRGUYRKSA-N 1 0 325.373 -2.440 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001081732635 686168840 /nfs/dbraw/zinc/16/88/40/686168840.db2.gz JKWMSYNPJHRYKE-WDEREUQCSA-N 1 0 325.373 -2.440 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732656 686168493 /nfs/dbraw/zinc/16/84/93/686168493.db2.gz JPXGTKNSDOQPRQ-GXTWGEPZSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732657 686168586 /nfs/dbraw/zinc/16/85/86/686168586.db2.gz JPXGTKNSDOQPRQ-JSGCOSHPSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732658 686168406 /nfs/dbraw/zinc/16/84/06/686168406.db2.gz JPXGTKNSDOQPRQ-OCCSQVGLSA-N 1 0 337.424 -1.150 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081732659 686168335 /nfs/dbraw/zinc/16/83/35/686168335.db2.gz JPXGTKNSDOQPRQ-TZMCWYRMSA-N 1 0 337.424 -1.150 20 0 EAADRO CCn1cc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001081732692 686168775 /nfs/dbraw/zinc/16/87/75/686168775.db2.gz KDBZHXBTEBIDMS-AAEUAGOBSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)nn1 ZINC001081732693 686168762 /nfs/dbraw/zinc/16/87/62/686168762.db2.gz KDBZHXBTEBIDMS-DGCLKSJQSA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001081732694 686168390 /nfs/dbraw/zinc/16/83/90/686168390.db2.gz KDBZHXBTEBIDMS-WCQYABFASA-N 1 0 338.412 -1.201 20 0 EAADRO CCn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001081732695 686168852 /nfs/dbraw/zinc/16/88/52/686168852.db2.gz KDBZHXBTEBIDMS-YPMHNXCESA-N 1 0 338.412 -1.201 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)[nH]c1=O ZINC001081732740 686168319 /nfs/dbraw/zinc/16/83/19/686168319.db2.gz KTDGZWFCOHKEEO-CMPLNLGQSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)[nH]c1=O ZINC001081732741 686168808 /nfs/dbraw/zinc/16/88/08/686168808.db2.gz KTDGZWFCOHKEEO-JQWIXIFHSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1cc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)[nH]c1=O ZINC001081732742 686168857 /nfs/dbraw/zinc/16/88/57/686168857.db2.gz KTDGZWFCOHKEEO-PWSUYJOCSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1cc(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)[nH]c1=O ZINC001081732743 686168298 /nfs/dbraw/zinc/16/82/98/686168298.db2.gz KTDGZWFCOHKEEO-ZYHUDNBSSA-N 1 0 339.396 -1.374 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732788 686168665 /nfs/dbraw/zinc/16/86/65/686168665.db2.gz LGJVMDUOPRZCJT-AAEUAGOBSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081732789 686168672 /nfs/dbraw/zinc/16/86/72/686168672.db2.gz LGJVMDUOPRZCJT-DGCLKSJQSA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732790 686168250 /nfs/dbraw/zinc/16/82/50/686168250.db2.gz LGJVMDUOPRZCJT-WCQYABFASA-N 1 0 339.396 -1.192 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732791 686168597 /nfs/dbraw/zinc/16/85/97/686168597.db2.gz LGJVMDUOPRZCJT-YPMHNXCESA-N 1 0 339.396 -1.192 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001081732868 686168751 /nfs/dbraw/zinc/16/87/51/686168751.db2.gz MNRFUYHDMXOGNZ-NEPJUHHUSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001081732869 686168846 /nfs/dbraw/zinc/16/88/46/686168846.db2.gz MNRFUYHDMXOGNZ-NWDGAFQWSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001081732870 686168419 /nfs/dbraw/zinc/16/84/19/686168419.db2.gz MNRFUYHDMXOGNZ-RYUDHWBXSA-N 1 0 340.424 -1.600 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)CC1 ZINC001081732871 686168780 /nfs/dbraw/zinc/16/87/80/686168780.db2.gz MNRFUYHDMXOGNZ-VXGBXAGGSA-N 1 0 340.424 -1.600 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001081733060 686168632 /nfs/dbraw/zinc/16/86/32/686168632.db2.gz OJSXSVZYVZPXHX-CMPLNLGQSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1cc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001081733061 686168644 /nfs/dbraw/zinc/16/86/44/686168644.db2.gz OJSXSVZYVZPXHX-JQWIXIFHSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)[nH]c1=O ZINC001081733062 686168737 /nfs/dbraw/zinc/16/87/37/686168737.db2.gz OJSXSVZYVZPXHX-PWSUYJOCSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)[nH]c1=O ZINC001081733063 686168349 /nfs/dbraw/zinc/16/83/49/686168349.db2.gz OJSXSVZYVZPXHX-ZYHUDNBSSA-N 1 0 339.396 -1.374 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1O ZINC001081733301 686169462 /nfs/dbraw/zinc/16/94/62/686169462.db2.gz RQSWGAYYIIGGAO-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1O ZINC001081733302 686169130 /nfs/dbraw/zinc/16/91/30/686169130.db2.gz RQSWGAYYIIGGAO-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1O ZINC001081733303 686169465 /nfs/dbraw/zinc/16/94/65/686169465.db2.gz RQSWGAYYIIGGAO-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1O ZINC001081733304 686169410 /nfs/dbraw/zinc/16/94/10/686169410.db2.gz RQSWGAYYIIGGAO-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O ZINC001081733313 686169236 /nfs/dbraw/zinc/16/92/36/686169236.db2.gz RWYKMVLGAVKTMA-NEPJUHHUSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O ZINC001081733314 686169458 /nfs/dbraw/zinc/16/94/58/686169458.db2.gz RWYKMVLGAVKTMA-NWDGAFQWSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O ZINC001081733315 686169307 /nfs/dbraw/zinc/16/93/07/686169307.db2.gz RWYKMVLGAVKTMA-RYUDHWBXSA-N 1 0 337.380 -1.317 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O ZINC001081733316 686169163 /nfs/dbraw/zinc/16/91/63/686169163.db2.gz RWYKMVLGAVKTMA-VXGBXAGGSA-N 1 0 337.380 -1.317 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081733489 686169470 /nfs/dbraw/zinc/16/94/70/686169470.db2.gz URUXTEZWRPKVMT-CHWSQXEVSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733490 686169429 /nfs/dbraw/zinc/16/94/29/686169429.db2.gz URUXTEZWRPKVMT-OLZOCXBDSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733491 686169174 /nfs/dbraw/zinc/16/91/74/686169174.db2.gz URUXTEZWRPKVMT-QWHCGFSZSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733492 686169250 /nfs/dbraw/zinc/16/92/50/686169250.db2.gz URUXTEZWRPKVMT-STQMWFEESA-N 1 0 342.440 -1.212 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001081733565 686169008 /nfs/dbraw/zinc/16/90/08/686169008.db2.gz VWPMFOKZVMLBJN-GHMZBOCLSA-N 1 0 328.413 -1.615 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001081733566 686169158 /nfs/dbraw/zinc/16/91/58/686169158.db2.gz VWPMFOKZVMLBJN-MNOVXSKESA-N 1 0 328.413 -1.615 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001081733567 686169367 /nfs/dbraw/zinc/16/93/67/686169367.db2.gz VWPMFOKZVMLBJN-QWRGUYRKSA-N 1 0 328.413 -1.615 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001081733568 686169435 /nfs/dbraw/zinc/16/94/35/686169435.db2.gz VWPMFOKZVMLBJN-WDEREUQCSA-N 1 0 328.413 -1.615 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1O ZINC001081733593 686169225 /nfs/dbraw/zinc/16/92/25/686169225.db2.gz WFUQQFOWYRRJGA-CHWSQXEVSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1O ZINC001081733594 686169194 /nfs/dbraw/zinc/16/91/94/686169194.db2.gz WFUQQFOWYRRJGA-OLZOCXBDSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1O ZINC001081733595 686169231 /nfs/dbraw/zinc/16/92/31/686169231.db2.gz 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CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081734504 686169441 /nfs/dbraw/zinc/16/94/41/686169441.db2.gz AWOCUIXJBVUBOY-GHMZBOCLSA-N 1 0 329.401 -2.197 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081734505 686169213 /nfs/dbraw/zinc/16/92/13/686169213.db2.gz AWOCUIXJBVUBOY-MNOVXSKESA-N 1 0 329.401 -2.197 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081734506 686169311 /nfs/dbraw/zinc/16/93/11/686169311.db2.gz AWOCUIXJBVUBOY-QWRGUYRKSA-N 1 0 329.401 -2.197 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081734507 686169453 /nfs/dbraw/zinc/16/94/53/686169453.db2.gz AWOCUIXJBVUBOY-WDEREUQCSA-N 1 0 329.401 -2.197 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O ZINC001081734656 686169280 /nfs/dbraw/zinc/16/92/80/686169280.db2.gz CDCCIHIXXAUNDG-NEPJUHHUSA-N 1 0 328.413 -1.471 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O ZINC001081734657 686169149 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COCCOCCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081734735 686170016 /nfs/dbraw/zinc/17/00/16/686170016.db2.gz CULDZOUMMFYPMF-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1O ZINC001081735060 686169799 /nfs/dbraw/zinc/16/97/99/686169799.db2.gz ISIRHBNTEUUXAD-NEPJUHHUSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1O ZINC001081735061 686169909 /nfs/dbraw/zinc/16/99/09/686169909.db2.gz ISIRHBNTEUUXAD-NWDGAFQWSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1O ZINC001081735062 686169856 /nfs/dbraw/zinc/16/98/56/686169856.db2.gz ISIRHBNTEUUXAD-RYUDHWBXSA-N 1 0 349.453 -1.692 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1O ZINC001081735063 686170067 /nfs/dbraw/zinc/17/00/67/686170067.db2.gz ISIRHBNTEUUXAD-VXGBXAGGSA-N 1 0 349.453 -1.692 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081735156 686169834 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339.396 -1.374 20 0 EAADRO Cn1c(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)c[nH]c1=O ZINC001081735194 686169707 /nfs/dbraw/zinc/16/97/07/686169707.db2.gz KJKWRQUQYKHALG-PWSUYJOCSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1c(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)c[nH]c1=O ZINC001081735195 686170014 /nfs/dbraw/zinc/17/00/14/686170014.db2.gz KJKWRQUQYKHALG-ZYHUDNBSSA-N 1 0 339.396 -1.374 20 0 EAADRO CCOCCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735568 686169765 /nfs/dbraw/zinc/16/97/65/686169765.db2.gz PJDAEQCAJZHOJX-KBPBESRZSA-N 1 0 345.440 -1.073 20 0 EAADRO CCOCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735569 686169794 /nfs/dbraw/zinc/16/97/94/686169794.db2.gz PJDAEQCAJZHOJX-KGLIPLIRSA-N 1 0 345.440 -1.073 20 0 EAADRO CCOCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735570 686169715 /nfs/dbraw/zinc/16/97/15/686169715.db2.gz PJDAEQCAJZHOJX-UONOGXRCSA-N 1 0 345.440 -1.073 20 0 EAADRO CCOCCOCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081735571 686169993 /nfs/dbraw/zinc/16/99/93/686169993.db2.gz PJDAEQCAJZHOJX-ZIAGYGMSSA-N 1 0 345.440 -1.073 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735784 686169811 /nfs/dbraw/zinc/16/98/11/686169811.db2.gz QIOQSLUAACRDQI-NEPJUHHUSA-N 1 0 328.413 -1.648 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735785 686169808 /nfs/dbraw/zinc/16/98/08/686169808.db2.gz QIOQSLUAACRDQI-NWDGAFQWSA-N 1 0 328.413 -1.648 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735786 686170009 /nfs/dbraw/zinc/17/00/09/686170009.db2.gz QIOQSLUAACRDQI-RYUDHWBXSA-N 1 0 328.413 -1.648 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081735787 686169719 /nfs/dbraw/zinc/16/97/19/686169719.db2.gz QIOQSLUAACRDQI-VXGBXAGGSA-N 1 0 328.413 -1.648 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001081735812 686169988 /nfs/dbraw/zinc/16/99/88/686169988.db2.gz 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/nfs/dbraw/zinc/17/88/56/686178856.db2.gz ZWJLBSXYRGMTDK-QWHCGFSZSA-N 1 0 342.440 -1.081 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCCCC(N)=O)C1 ZINC001081777942 686178718 /nfs/dbraw/zinc/17/87/18/686178718.db2.gz ZWJLBSXYRGMTDK-STQMWFEESA-N 1 0 342.440 -1.081 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC001081781637 686181601 /nfs/dbraw/zinc/18/16/01/686181601.db2.gz BOMXYBIRMRADON-NEPJUHHUSA-N 1 0 340.424 -1.471 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001081781638 686181934 /nfs/dbraw/zinc/18/19/34/686181934.db2.gz BOMXYBIRMRADON-NWDGAFQWSA-N 1 0 340.424 -1.471 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC001081781639 686181783 /nfs/dbraw/zinc/18/17/83/686181783.db2.gz BOMXYBIRMRADON-RYUDHWBXSA-N 1 0 340.424 -1.471 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001081781640 686181701 /nfs/dbraw/zinc/18/17/01/686181701.db2.gz BOMXYBIRMRADON-VXGBXAGGSA-N 1 0 340.424 -1.471 20 0 EAADRO C[N@H+](CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O)CC(C)(C)C ZINC001081781877 686181792 /nfs/dbraw/zinc/18/17/92/686181792.db2.gz FOVPOGXNLRHDCM-NEPJUHHUSA-N 1 0 342.440 -1.225 20 0 EAADRO C[N@H+](CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O)CC(C)(C)C ZINC001081781878 686181878 /nfs/dbraw/zinc/18/18/78/686181878.db2.gz FOVPOGXNLRHDCM-NWDGAFQWSA-N 1 0 342.440 -1.225 20 0 EAADRO C[N@H+](CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O)CC(C)(C)C ZINC001081781879 686181426 /nfs/dbraw/zinc/18/14/26/686181426.db2.gz FOVPOGXNLRHDCM-RYUDHWBXSA-N 1 0 342.440 -1.225 20 0 EAADRO C[N@H+](CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O)CC(C)(C)C ZINC001081781880 686181629 /nfs/dbraw/zinc/18/16/29/686181629.db2.gz FOVPOGXNLRHDCM-VXGBXAGGSA-N 1 0 342.440 -1.225 20 0 EAADRO C[N@H+](CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)CC(C)(C)C ZINC001081782261 686182621 /nfs/dbraw/zinc/18/26/21/686182621.db2.gz JUUYABHSJOEEPZ-GHMZBOCLSA-N 1 0 328.413 -1.615 20 0 EAADRO 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/nfs/dbraw/zinc/18/81/49/686188149.db2.gz LQNARCWUADXCSY-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081788067 686188464 /nfs/dbraw/zinc/18/84/64/686188464.db2.gz LQNARCWUADXCSY-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001081788846 686189265 /nfs/dbraw/zinc/18/92/65/686189265.db2.gz PZTRNCNVAPLCDI-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 ZINC001081788847 686189627 /nfs/dbraw/zinc/18/96/27/686189627.db2.gz PZTRNCNVAPLCDI-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081788848 686189249 /nfs/dbraw/zinc/18/92/49/686189249.db2.gz PZTRNCNVAPLCDI-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081788849 686189545 /nfs/dbraw/zinc/18/95/45/686189545.db2.gz PZTRNCNVAPLCDI-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001081789094 686189844 /nfs/dbraw/zinc/18/98/44/686189844.db2.gz UCADVPLNFIPDLO-CHWSQXEVSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 ZINC001081789095 686189948 /nfs/dbraw/zinc/18/99/48/686189948.db2.gz UCADVPLNFIPDLO-OLZOCXBDSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081789096 686189931 /nfs/dbraw/zinc/18/99/31/686189931.db2.gz UCADVPLNFIPDLO-QWHCGFSZSA-N 1 0 338.412 -1.446 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081789097 686190099 /nfs/dbraw/zinc/19/00/99/686190099.db2.gz UCADVPLNFIPDLO-STQMWFEESA-N 1 0 338.412 -1.446 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001081789234 686190728 /nfs/dbraw/zinc/19/07/28/686190728.db2.gz VWDQJSDYINTYHS-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 ZINC001081789235 686190573 /nfs/dbraw/zinc/19/05/73/686190573.db2.gz VWDQJSDYINTYHS-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081789236 686190677 /nfs/dbraw/zinc/19/06/77/686190677.db2.gz VWDQJSDYINTYHS-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081789237 686190725 /nfs/dbraw/zinc/19/07/25/686190725.db2.gz VWDQJSDYINTYHS-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001081789430 686191129 /nfs/dbraw/zinc/19/11/29/686191129.db2.gz XXJTXIUQTNVTRF-CHWSQXEVSA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 ZINC001081789431 686191188 /nfs/dbraw/zinc/19/11/88/686191188.db2.gz XXJTXIUQTNVTRF-OLZOCXBDSA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081789432 686191060 /nfs/dbraw/zinc/19/10/60/686191060.db2.gz XXJTXIUQTNVTRF-QWHCGFSZSA-N 1 0 338.412 -1.445 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001081789433 686191224 /nfs/dbraw/zinc/19/12/24/686191224.db2.gz XXJTXIUQTNVTRF-STQMWFEESA-N 1 0 338.412 -1.445 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081790110 686191802 /nfs/dbraw/zinc/19/18/02/686191802.db2.gz AAKNBWJSPWOIHW-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081790111 686191901 /nfs/dbraw/zinc/19/19/01/686191901.db2.gz AAKNBWJSPWOIHW-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081790112 686191687 /nfs/dbraw/zinc/19/16/87/686191687.db2.gz AAKNBWJSPWOIHW-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001081790113 686191855 /nfs/dbraw/zinc/19/18/55/686191855.db2.gz AAKNBWJSPWOIHW-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791012 686194847 /nfs/dbraw/zinc/19/48/47/686194847.db2.gz MEJVMWBJSSGXSW-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791013 686194960 /nfs/dbraw/zinc/19/49/60/686194960.db2.gz MEJVMWBJSSGXSW-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791014 686194951 /nfs/dbraw/zinc/19/49/51/686194951.db2.gz MEJVMWBJSSGXSW-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001081791015 686194921 /nfs/dbraw/zinc/19/49/21/686194921.db2.gz MEJVMWBJSSGXSW-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791260 686195655 /nfs/dbraw/zinc/19/56/55/686195655.db2.gz PEAYOFWBWIWAPC-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791261 686195712 /nfs/dbraw/zinc/19/57/12/686195712.db2.gz PEAYOFWBWIWAPC-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791262 686195758 /nfs/dbraw/zinc/19/57/58/686195758.db2.gz PEAYOFWBWIWAPC-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001081791263 686195723 /nfs/dbraw/zinc/19/57/23/686195723.db2.gz PEAYOFWBWIWAPC-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791412 686196557 /nfs/dbraw/zinc/19/65/57/686196557.db2.gz RACPGVYMCCDPGX-NEPJUHHUSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791413 686196626 /nfs/dbraw/zinc/19/66/26/686196626.db2.gz RACPGVYMCCDPGX-NWDGAFQWSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081791414 686196360 /nfs/dbraw/zinc/19/63/60/686196360.db2.gz RACPGVYMCCDPGX-RYUDHWBXSA-N 1 0 338.412 -1.376 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001081791415 686196544 /nfs/dbraw/zinc/19/65/44/686196544.db2.gz RACPGVYMCCDPGX-VXGBXAGGSA-N 1 0 338.412 -1.376 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081792353 686198101 /nfs/dbraw/zinc/19/81/01/686198101.db2.gz ZLALFFOAIJFNCC-NEPJUHHUSA-N 1 0 348.407 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081792355 686198258 /nfs/dbraw/zinc/19/82/58/686198258.db2.gz ZLALFFOAIJFNCC-NWDGAFQWSA-N 1 0 348.407 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081792357 686197861 /nfs/dbraw/zinc/19/78/61/686197861.db2.gz ZLALFFOAIJFNCC-RYUDHWBXSA-N 1 0 348.407 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081792359 686198111 /nfs/dbraw/zinc/19/81/11/686198111.db2.gz ZLALFFOAIJFNCC-VXGBXAGGSA-N 1 0 348.407 -1.622 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081795040 686200598 /nfs/dbraw/zinc/20/05/98/686200598.db2.gz XJOIYWLVAJKLEM-NEPJUHHUSA-N 1 0 338.412 -1.377 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081795041 686200443 /nfs/dbraw/zinc/20/04/43/686200443.db2.gz XJOIYWLVAJKLEM-NWDGAFQWSA-N 1 0 338.412 -1.377 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001081795042 686200536 /nfs/dbraw/zinc/20/05/36/686200536.db2.gz XJOIYWLVAJKLEM-RYUDHWBXSA-N 1 0 338.412 -1.377 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001081795043 686200733 /nfs/dbraw/zinc/20/07/33/686200733.db2.gz XJOIYWLVAJKLEM-VXGBXAGGSA-N 1 0 338.412 -1.377 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081795068 686200552 /nfs/dbraw/zinc/20/05/52/686200552.db2.gz XOSDTNMWTKZRTA-NEPJUHHUSA-N 1 0 336.396 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081795069 686200615 /nfs/dbraw/zinc/20/06/15/686200615.db2.gz XOSDTNMWTKZRTA-NWDGAFQWSA-N 1 0 336.396 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081795070 686200573 /nfs/dbraw/zinc/20/05/73/686200573.db2.gz XOSDTNMWTKZRTA-RYUDHWBXSA-N 1 0 336.396 -1.622 20 0 EAADRO O=C(Cc1nc[nH]n1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081795071 686200512 /nfs/dbraw/zinc/20/05/12/686200512.db2.gz XOSDTNMWTKZRTA-VXGBXAGGSA-N 1 0 336.396 -1.622 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081800369 686208680 /nfs/dbraw/zinc/20/86/80/686208680.db2.gz NXXJXCVNBAQIPF-GXTWGEPZSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081800370 686208649 /nfs/dbraw/zinc/20/86/49/686208649.db2.gz NXXJXCVNBAQIPF-JSGCOSHPSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081800371 686208497 /nfs/dbraw/zinc/20/84/97/686208497.db2.gz NXXJXCVNBAQIPF-OCCSQVGLSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081800372 686208665 /nfs/dbraw/zinc/20/86/65/686208665.db2.gz NXXJXCVNBAQIPF-TZMCWYRMSA-N 1 0 347.419 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081802459 686211730 /nfs/dbraw/zinc/21/17/30/686211730.db2.gz OOMCTXCGPGIWDP-GXTWGEPZSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081802460 686211336 /nfs/dbraw/zinc/21/13/36/686211336.db2.gz OOMCTXCGPGIWDP-JSGCOSHPSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081802461 686211567 /nfs/dbraw/zinc/21/15/67/686211567.db2.gz OOMCTXCGPGIWDP-OCCSQVGLSA-N 1 0 335.408 -1.017 20 0 EAADRO O=C(Cc1c[nH]cn1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081802462 686211811 /nfs/dbraw/zinc/21/18/11/686211811.db2.gz OOMCTXCGPGIWDP-TZMCWYRMSA-N 1 0 335.408 -1.017 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 ZINC001081802774 686211791 /nfs/dbraw/zinc/21/17/91/686211791.db2.gz CMTYYYGVDAXFRY-JHJVBQTASA-N 1 0 329.397 -1.305 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 ZINC001081802775 686211585 /nfs/dbraw/zinc/21/15/85/686211585.db2.gz CMTYYYGVDAXFRY-YNEHKIRRSA-N 1 0 329.397 -1.305 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001081802807 686211369 /nfs/dbraw/zinc/21/13/69/686211369.db2.gz FOJDKBMDEUHSDY-BFHYXJOUSA-N 1 0 341.408 -1.303 20 0 EAADRO CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001081802808 686211532 /nfs/dbraw/zinc/21/15/32/686211532.db2.gz FOJDKBMDEUHSDY-MGPQQGTHSA-N 1 0 341.408 -1.303 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 ZINC001081803172 686211443 /nfs/dbraw/zinc/21/14/43/686211443.db2.gz WYNJNILMWCEWQD-JHJVBQTASA-N 1 0 329.397 -1.305 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 ZINC001081803173 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C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C)C(N)=O ZINC001082779307 686261970 /nfs/dbraw/zinc/26/19/70/686261970.db2.gz YBMBJHALJQSWBC-GMTAPVOTSA-N 1 0 347.379 -1.799 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C)C(N)=O ZINC001082779308 686262290 /nfs/dbraw/zinc/26/22/90/686262290.db2.gz YBMBJHALJQSWBC-OUAUKWLOSA-N 1 0 347.379 -1.799 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC001082779336 686262368 /nfs/dbraw/zinc/26/23/68/686262368.db2.gz ZJQLWAIDBYAXEZ-GRYCIOLGSA-N 1 0 334.380 -1.292 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC001082779337 686261954 /nfs/dbraw/zinc/26/19/54/686261954.db2.gz ZJQLWAIDBYAXEZ-IJLUTSLNSA-N 1 0 334.380 -1.292 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C)C(N)=O ZINC001082779686 686262240 /nfs/dbraw/zinc/26/22/40/686262240.db2.gz NOWWDCNUMKFIQW-FXPVBKGRSA-N 1 0 337.380 -1.992 20 0 EAADRO 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CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001082812180 686263116 /nfs/dbraw/zinc/26/31/16/686263116.db2.gz FGPILSIGFBYBSB-OPRDCNLKSA-N 1 0 325.369 -1.761 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082812438 686263433 /nfs/dbraw/zinc/26/34/33/686263433.db2.gz XKBHODGEEQZAFX-GMTAPVOTSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082812439 686263098 /nfs/dbraw/zinc/26/30/98/686263098.db2.gz XKBHODGEEQZAFX-OUAUKWLOSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082812493 686262960 /nfs/dbraw/zinc/26/29/60/686262960.db2.gz ZYBSVCZQIMSGGK-GMTAPVOTSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082812494 686262981 /nfs/dbraw/zinc/26/29/81/686262981.db2.gz ZYBSVCZQIMSGGK-OUAUKWLOSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082821338 686263404 /nfs/dbraw/zinc/26/34/04/686263404.db2.gz GFPDKXOZUMUXBO-GMTAPVOTSA-N 1 0 335.368 -1.695 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082821339 686263176 /nfs/dbraw/zinc/26/31/76/686263176.db2.gz GFPDKXOZUMUXBO-OUAUKWLOSA-N 1 0 335.368 -1.695 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082825548 686263361 /nfs/dbraw/zinc/26/33/61/686263361.db2.gz NABLXRNXECTSND-HLUHBDAQSA-N 1 0 347.375 -1.031 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082825549 686262943 /nfs/dbraw/zinc/26/29/43/686262943.db2.gz NABLXRNXECTSND-UBHAPETDSA-N 1 0 347.375 -1.031 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1[NH2+]CC(N)=O ZINC001082830394 686263025 /nfs/dbraw/zinc/26/30/25/686263025.db2.gz LHCPSAFOLNVNGU-GRYCIOLGSA-N 1 0 336.396 -1.150 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1[NH2+]CC(N)=O ZINC001082830395 686263299 /nfs/dbraw/zinc/26/32/99/686263299.db2.gz LHCPSAFOLNVNGU-IJLUTSLNSA-N 1 0 336.396 -1.150 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082831107 686262910 /nfs/dbraw/zinc/26/29/10/686262910.db2.gz VGPXGDUJHALINR-FRRDWIJNSA-N 1 0 333.392 -1.042 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082831108 686262875 /nfs/dbraw/zinc/26/28/75/686262875.db2.gz VGPXGDUJHALINR-JHJVBQTASA-N 1 0 333.392 -1.042 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C)C(N)=O ZINC001082841921 686263283 /nfs/dbraw/zinc/26/32/83/686263283.db2.gz RPLOKVNTTCFZQA-KXUCPTDWSA-N 1 0 339.396 -1.373 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C)C(N)=O ZINC001082841922 686262851 /nfs/dbraw/zinc/26/28/51/686262851.db2.gz RPLOKVNTTCFZQA-OPRDCNLKSA-N 1 0 339.396 -1.373 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001082843268 686262903 /nfs/dbraw/zinc/26/29/03/686262903.db2.gz VMTFEZNGOWKAHZ-KXUCPTDWSA-N 1 0 325.369 -1.761 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001082843269 686263240 /nfs/dbraw/zinc/26/32/40/686263240.db2.gz VMTFEZNGOWKAHZ-OPRDCNLKSA-N 1 0 325.369 -1.761 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001082844903 686263426 /nfs/dbraw/zinc/26/34/26/686263426.db2.gz OOQPRGOSVHXICU-GMTAPVOTSA-N 1 0 339.396 -1.371 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001082844904 686263326 /nfs/dbraw/zinc/26/33/26/686263326.db2.gz OOQPRGOSVHXICU-OUAUKWLOSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082845066 686263150 /nfs/dbraw/zinc/26/31/50/686263150.db2.gz ZHBMFNLHRKVRDX-GMTAPVOTSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082845067 686263230 /nfs/dbraw/zinc/26/32/30/686263230.db2.gz ZHBMFNLHRKVRDX-OUAUKWLOSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C)C(N)=O ZINC001082857379 686262856 /nfs/dbraw/zinc/26/28/56/686262856.db2.gz BZURJNJGHLHAAR-KXUCPTDWSA-N 1 0 325.369 -1.809 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C)C(N)=O ZINC001082857380 686263034 /nfs/dbraw/zinc/26/30/34/686263034.db2.gz BZURJNJGHLHAAR-OPRDCNLKSA-N 1 0 325.369 -1.809 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082857547 686263196 /nfs/dbraw/zinc/26/31/96/686263196.db2.gz NSHNBWLEOPKNMC-GMTAPVOTSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082857548 686262934 /nfs/dbraw/zinc/26/29/34/686262934.db2.gz NSHNBWLEOPKNMC-OUAUKWLOSA-N 1 0 337.380 -1.795 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C)C(N)=O ZINC001082857631 686263102 /nfs/dbraw/zinc/26/31/02/686263102.db2.gz UOLBVQCDJIQNQP-GMTAPVOTSA-N 1 0 339.396 -1.419 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C)C(N)=O ZINC001082857632 686263266 /nfs/dbraw/zinc/26/32/66/686263266.db2.gz UOLBVQCDJIQNQP-OUAUKWLOSA-N 1 0 339.396 -1.419 20 0 EAADRO COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C2)[nH]c(=O)[nH]c1=O ZINC001082858413 686263017 /nfs/dbraw/zinc/26/30/17/686263017.db2.gz GGSXIWSWGRQJEQ-BWZBUEFSSA-N 1 0 339.352 -1.180 20 0 EAADRO COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C2)[nH]c(=O)[nH]c1=O ZINC001082858414 686263337 /nfs/dbraw/zinc/26/33/37/686263337.db2.gz GGSXIWSWGRQJEQ-GJMOJQLCSA-N 1 0 339.352 -1.180 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C)C(N)=O ZINC001082859444 686263008 /nfs/dbraw/zinc/26/30/08/686263008.db2.gz LFXPVIQJXBSPBO-KHQFGBGNSA-N 1 0 333.352 -1.659 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C)C(N)=O ZINC001082859445 686262953 /nfs/dbraw/zinc/26/29/53/686262953.db2.gz LFXPVIQJXBSPBO-NQMVMOMDSA-N 1 0 333.352 -1.659 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082859495 686263138 /nfs/dbraw/zinc/26/31/38/686263138.db2.gz OWQHCSFJFHZJME-FXPVBKGRSA-N 1 0 345.363 -1.644 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082859496 686263051 /nfs/dbraw/zinc/26/30/51/686263051.db2.gz OWQHCSFJFHZJME-WCABBAIRSA-N 1 0 345.363 -1.644 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C)C(N)=O ZINC001082859632 686262863 /nfs/dbraw/zinc/26/28/63/686262863.db2.gz XIIPJDGETQEQTK-FXPVBKGRSA-N 1 0 347.379 -1.268 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C)C(N)=O ZINC001082859633 686263393 /nfs/dbraw/zinc/26/33/93/686263393.db2.gz XIIPJDGETQEQTK-WCABBAIRSA-N 1 0 347.379 -1.268 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082872508 686263059 /nfs/dbraw/zinc/26/30/59/686263059.db2.gz NDYLCHQFSFZBEA-FRRDWIJNSA-N 1 0 338.408 -1.440 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082873024 686262967 /nfs/dbraw/zinc/26/29/67/686262967.db2.gz PSWVEFATUHLBID-GRYCIOLGSA-N 1 0 336.392 -1.150 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082873109 686263418 /nfs/dbraw/zinc/26/34/18/686263418.db2.gz VEJOEAMLRIHCJZ-OUAUKWLOSA-N 1 0 337.380 -1.747 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001082874979 686262916 /nfs/dbraw/zinc/26/29/16/686262916.db2.gz NZIIFQFOIMNPCE-KGYLQXTDSA-N 1 0 333.392 -1.123 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001082874980 686263005 /nfs/dbraw/zinc/26/30/05/686263005.db2.gz NZIIFQFOIMNPCE-RAIGVLPGSA-N 1 0 333.392 -1.123 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001082884275 686262922 /nfs/dbraw/zinc/26/29/22/686262922.db2.gz LANPAFISXPBUNC-BREBYQMCSA-N 1 0 332.426 -1.620 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(N)=O ZINC001082884276 686262883 /nfs/dbraw/zinc/26/28/83/686262883.db2.gz LANPAFISXPBUNC-GIPNMCIBSA-N 1 0 332.426 -1.620 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCNC3=O)C2)c(=O)n1C ZINC001082892647 686263456 /nfs/dbraw/zinc/26/34/56/686263456.db2.gz MWYQZIGXCCKMRE-ADEWGFFLSA-N 1 0 336.396 -1.785 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCNC3=O)C2)c(=O)n1C ZINC001082892648 686263183 /nfs/dbraw/zinc/26/31/83/686263183.db2.gz MWYQZIGXCCKMRE-YUSALJHKSA-N 1 0 336.396 -1.785 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C)C(N)=O ZINC001082893178 686263121 /nfs/dbraw/zinc/26/31/21/686263121.db2.gz RPQOECSSSQMJFM-ADEWGFFLSA-N 1 0 338.412 -1.409 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C)C(N)=O ZINC001082893179 686263044 /nfs/dbraw/zinc/26/30/44/686263044.db2.gz RPQOECSSSQMJFM-YUSALJHKSA-N 1 0 338.412 -1.409 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C)C(N)=O ZINC001082899885 686263253 /nfs/dbraw/zinc/26/32/53/686263253.db2.gz JGSFURIBHSSGIX-KXUCPTDWSA-N 1 0 339.396 -1.373 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C)C(N)=O ZINC001082899886 686263348 /nfs/dbraw/zinc/26/33/48/686263348.db2.gz JGSFURIBHSSGIX-OPRDCNLKSA-N 1 0 339.396 -1.373 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082903605 686263383 /nfs/dbraw/zinc/26/33/83/686263383.db2.gz RFNYNROSDXFDNA-CKYFFXLPSA-N 1 0 347.375 -1.364 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082903606 686263312 /nfs/dbraw/zinc/26/33/12/686263312.db2.gz RFNYNROSDXFDNA-JFGNBEQYSA-N 1 0 347.375 -1.364 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001082906763 686263130 /nfs/dbraw/zinc/26/31/30/686263130.db2.gz FHJBERORLVSFAB-KXUCPTDWSA-N 1 0 325.369 -1.761 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001082906764 686262927 /nfs/dbraw/zinc/26/29/27/686262927.db2.gz FHJBERORLVSFAB-OPRDCNLKSA-N 1 0 325.369 -1.761 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082906779 686264044 /nfs/dbraw/zinc/26/40/44/686264044.db2.gz GAQRPUMKMHKQFE-GMTAPVOTSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082906780 686264013 /nfs/dbraw/zinc/26/40/13/686264013.db2.gz GAQRPUMKMHKQFE-OUAUKWLOSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082907057 686264062 /nfs/dbraw/zinc/26/40/62/686264062.db2.gz YNBDWDQDRIPTOA-GMTAPVOTSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082907058 686263738 /nfs/dbraw/zinc/26/37/38/686263738.db2.gz YNBDWDQDRIPTOA-OUAUKWLOSA-N 1 0 337.380 -1.747 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082907202 686263699 /nfs/dbraw/zinc/26/36/99/686263699.db2.gz FWNZSDXYJYLHTJ-GMTAPVOTSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082907203 686263637 /nfs/dbraw/zinc/26/36/37/686263637.db2.gz FWNZSDXYJYLHTJ-OUAUKWLOSA-N 1 0 337.380 -1.795 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C)C(N)=O ZINC001082907214 686263771 /nfs/dbraw/zinc/26/37/71/686263771.db2.gz GXSWEWGTEBNFRY-KXUCPTDWSA-N 1 0 325.369 -1.809 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C)C(N)=O ZINC001082907215 686264144 /nfs/dbraw/zinc/26/41/44/686264144.db2.gz GXSWEWGTEBNFRY-OPRDCNLKSA-N 1 0 325.369 -1.809 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C)C(N)=O ZINC001082907321 686263973 /nfs/dbraw/zinc/26/39/73/686263973.db2.gz NLAMFUGKALGLAZ-GMTAPVOTSA-N 1 0 339.396 -1.419 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C)C(N)=O ZINC001082907322 686263885 /nfs/dbraw/zinc/26/38/85/686263885.db2.gz NLAMFUGKALGLAZ-OUAUKWLOSA-N 1 0 339.396 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082908242 686264156 /nfs/dbraw/zinc/26/41/56/686264156.db2.gz AYDAARZEQYLTGX-ADEWGFFLSA-N 1 0 349.395 -1.260 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082908243 686263959 /nfs/dbraw/zinc/26/39/59/686263959.db2.gz AYDAARZEQYLTGX-YUSALJHKSA-N 1 0 349.395 -1.260 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001082908651 686264068 /nfs/dbraw/zinc/26/40/68/686264068.db2.gz WCDNAXYXJVQQSF-GRYCIOLGSA-N 1 0 349.395 -1.297 20 0 EAADRO 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O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083247472 685075784 /nfs/dbraw/zinc/07/57/84/685075784.db2.gz RQMHKNHFWZNWGL-NWDGAFQWSA-N 1 0 348.363 -1.675 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 ZINC001083247589 685075751 /nfs/dbraw/zinc/07/57/51/685075751.db2.gz WVAGJLKPDMCIAX-ADEWGFFLSA-N 1 0 348.363 -1.676 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 ZINC001083247590 685075325 /nfs/dbraw/zinc/07/53/25/685075325.db2.gz WVAGJLKPDMCIAX-ZMLRMANQSA-N 1 0 348.363 -1.676 20 0 EAADRO Cn1nnnc1CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247758 685075131 /nfs/dbraw/zinc/07/51/31/685075131.db2.gz DNLRIKITGCTCBH-HZSPNIEDSA-N 1 0 349.439 -1.037 20 0 EAADRO Cn1nnnc1CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247759 685075585 /nfs/dbraw/zinc/07/55/85/685075585.db2.gz DNLRIKITGCTCBH-MELADBBJSA-N 1 0 349.439 -1.037 20 0 EAADRO Cn1nnc(CN2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083248292 685075288 /nfs/dbraw/zinc/07/52/88/685075288.db2.gz ZAAHDGXAIZTJAP-HZSPNIEDSA-N 1 0 349.439 -1.037 20 0 EAADRO Cn1nnc(CN2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083248293 685074704 /nfs/dbraw/zinc/07/47/04/685074704.db2.gz ZAAHDGXAIZTJAP-MELADBBJSA-N 1 0 349.439 -1.037 20 0 EAADRO Cn1nnnc1CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083248843 685075400 /nfs/dbraw/zinc/07/54/00/685075400.db2.gz AIOOMHJQWXKGTH-QWHCGFSZSA-N 1 0 347.423 -1.283 20 0 EAADRO O=C(N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249450 685075412 /nfs/dbraw/zinc/07/54/12/685075412.db2.gz FURHDBLVTLWVSQ-HZSPNIEDSA-N 1 0 334.420 -1.118 20 0 EAADRO O=C(N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249451 685075551 /nfs/dbraw/zinc/07/55/51/685075551.db2.gz FURHDBLVTLWVSQ-MELADBBJSA-N 1 0 334.420 -1.118 20 0 EAADRO Cn1nnc(CN2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)n1 ZINC001083249744 685075194 /nfs/dbraw/zinc/07/51/94/685075194.db2.gz UVIBFTGYDVYVRF-QWHCGFSZSA-N 1 0 347.423 -1.283 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]32)n1 ZINC001083254668 685076934 /nfs/dbraw/zinc/07/69/34/685076934.db2.gz FVZJYWZFNIBEFF-HZSPNIEDSA-N 1 0 336.392 -1.156 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]32)n1 ZINC001083254669 685077017 /nfs/dbraw/zinc/07/70/17/685077017.db2.gz FVZJYWZFNIBEFF-MELADBBJSA-N 1 0 336.392 -1.156 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)n1 ZINC001083254673 685077045 /nfs/dbraw/zinc/07/70/45/685077045.db2.gz GMRDVXZHRRKYJI-UONOGXRCSA-N 1 0 336.392 -1.154 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083261863 685078225 /nfs/dbraw/zinc/07/82/25/685078225.db2.gz PIBICSKBEQZSPZ-RRFJBIMHSA-N 1 0 341.408 -1.472 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083261864 685078175 /nfs/dbraw/zinc/07/81/75/685078175.db2.gz PIBICSKBEQZSPZ-ZNMIVQPWSA-N 1 0 341.408 -1.472 20 0 EAADRO Cc1nn(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]32)c(=O)n1C ZINC001083262223 685079003 /nfs/dbraw/zinc/07/90/03/685079003.db2.gz JTGXHUZLYACEBB-KGYLQXTDSA-N 1 0 339.396 -1.817 20 0 EAADRO Cc1nn(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]32)c(=O)n1C ZINC001083262224 685078751 /nfs/dbraw/zinc/07/87/51/685078751.db2.gz JTGXHUZLYACEBB-WCFLWFBJSA-N 1 0 339.396 -1.817 20 0 EAADRO COCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 ZINC001083262404 685078827 /nfs/dbraw/zinc/07/88/27/685078827.db2.gz SWPLPKJXXUEXIW-QWHCGFSZSA-N 1 0 339.396 -1.552 20 0 EAADRO Cc1nn(CC(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)c(=O)n1C ZINC001083262885 685078968 /nfs/dbraw/zinc/07/89/68/685078968.db2.gz SKOADYDRFPHIRK-QWHCGFSZSA-N 1 0 339.396 -1.816 20 0 EAADRO Cc1nn(CC(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)c(=O)n1C ZINC001083262952 685079675 /nfs/dbraw/zinc/07/96/75/685079675.db2.gz WRFGKGQLXNPORZ-NWDGAFQWSA-N 1 0 325.369 -2.206 20 0 EAADRO CC[C@H](C(N)=O)N1C[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC001083267369 685084613 /nfs/dbraw/zinc/08/46/13/685084613.db2.gz XNPXOBLGTXHYNA-FRRDWIJNSA-N 1 0 349.391 -1.431 20 0 EAADRO CC[C@@H](C(N)=O)N1C[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC001083267370 685084759 /nfs/dbraw/zinc/08/47/59/685084759.db2.gz XNPXOBLGTXHYNA-RWMBFGLXSA-N 1 0 349.391 -1.431 20 0 EAADRO O=C(Cn1cncn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083267978 685084832 /nfs/dbraw/zinc/08/48/32/685084832.db2.gz CTORPRYVAZCNLJ-FRRDWIJNSA-N 1 0 334.380 -1.532 20 0 EAADRO O=C(Cn1cncn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083267979 685084635 /nfs/dbraw/zinc/08/46/35/685084635.db2.gz CTORPRYVAZCNLJ-RWMBFGLXSA-N 1 0 334.380 -1.532 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)Cn4cncn4)[C@H]3C2)C1=O ZINC001083268236 685084733 /nfs/dbraw/zinc/08/47/33/685084733.db2.gz QVFXXOSVUFRHDT-HZSPNIEDSA-N 1 0 348.407 -1.190 20 0 EAADRO CN1CCC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)Cn4cncn4)[C@H]3C2)C1=O ZINC001083268237 685084928 /nfs/dbraw/zinc/08/49/28/685084928.db2.gz QVFXXOSVUFRHDT-MELADBBJSA-N 1 0 348.407 -1.190 20 0 EAADRO CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)Cn4cncn4)[C@H]3C2)C1=O ZINC001083268334 685084783 /nfs/dbraw/zinc/08/47/83/685084783.db2.gz WKTPWHJJTRPOCH-HZSPNIEDSA-N 1 0 348.407 -1.190 20 0 EAADRO CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)Cn4cncn4)[C@H]3C2)C1=O ZINC001083268335 685084946 /nfs/dbraw/zinc/08/49/46/685084946.db2.gz WKTPWHJJTRPOCH-MELADBBJSA-N 1 0 348.407 -1.190 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 ZINC001083268459 685085775 /nfs/dbraw/zinc/08/57/75/685085775.db2.gz CNIPZECQPGGTFC-GRYCIOLGSA-N 1 0 340.380 -1.827 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 ZINC001083268460 685085832 /nfs/dbraw/zinc/08/58/32/685085832.db2.gz CNIPZECQPGGTFC-SDDRHHMPSA-N 1 0 340.380 -1.827 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083268504 685085934 /nfs/dbraw/zinc/08/59/34/685085934.db2.gz FVVKTMCZWSOFNU-WDEREUQCSA-N 1 0 326.353 -2.168 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001083268518 685085260 /nfs/dbraw/zinc/08/52/60/685085260.db2.gz GJXFEGKONHULOA-WDEREUQCSA-N 1 0 328.344 -1.191 20 0 EAADRO COCC[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 ZINC001083268532 685085230 /nfs/dbraw/zinc/08/52/30/685085230.db2.gz HJFNHSFALADCJN-NWDGAFQWSA-N 1 0 340.380 -1.562 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1=O ZINC001083268546 685085367 /nfs/dbraw/zinc/08/53/67/685085367.db2.gz HYYXUOPGWVXTHU-NWDGAFQWSA-N 1 0 340.380 -1.826 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268559 685085851 /nfs/dbraw/zinc/08/58/51/685085851.db2.gz IQXBWKDFCISYMX-GRYCIOLGSA-N 1 0 340.380 -1.515 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268560 685085502 /nfs/dbraw/zinc/08/55/02/685085502.db2.gz IQXBWKDFCISYMX-SDDRHHMPSA-N 1 0 340.380 -1.515 20 0 EAADRO COCC[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268569 685085572 /nfs/dbraw/zinc/08/55/72/685085572.db2.gz IZDOMKXDOUARNU-WDEREUQCSA-N 1 0 326.353 -1.904 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268592 685085713 /nfs/dbraw/zinc/08/57/13/685085713.db2.gz KAEPKULJHNGJJE-GARJFASQSA-N 1 0 326.353 -2.169 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268593 685085436 /nfs/dbraw/zinc/08/54/36/685085436.db2.gz KAEPKULJHNGJJE-OUAUKWLOSA-N 1 0 326.353 -2.169 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268604 685085912 /nfs/dbraw/zinc/08/59/12/685085912.db2.gz KMWADDJJHAZYOS-GRYCIOLGSA-N 1 0 340.380 -1.515 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268605 685085450 /nfs/dbraw/zinc/08/54/50/685085450.db2.gz KMWADDJJHAZYOS-SDDRHHMPSA-N 1 0 340.380 -1.515 20 0 EAADRO COCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 ZINC001083268627 685085633 /nfs/dbraw/zinc/08/56/33/685085633.db2.gz LWTPZUGMHGAVDF-GRYCIOLGSA-N 1 0 340.380 -1.467 20 0 EAADRO COCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 ZINC001083268628 685085602 /nfs/dbraw/zinc/08/56/02/685085602.db2.gz LWTPZUGMHGAVDF-SDDRHHMPSA-N 1 0 340.380 -1.467 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083268693 685085808 /nfs/dbraw/zinc/08/58/08/685085808.db2.gz PLYGPINDGPGPLX-GRYCIOLGSA-N 1 0 340.380 -1.731 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083268694 685085759 /nfs/dbraw/zinc/08/57/59/685085759.db2.gz PLYGPINDGPGPLX-SDDRHHMPSA-N 1 0 340.380 -1.731 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CCC3=O)[C@H]2C1 ZINC001083269421 685085556 /nfs/dbraw/zinc/08/55/56/685085556.db2.gz CGRNKLUZDBJHDY-GRYCIOLGSA-N 1 0 325.365 -1.572 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CCC3=O)[C@H]2C1 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/nfs/dbraw/zinc/19/25/43/685192543.db2.gz VQOLCNPIXQOQEL-UPJWGTAASA-N 1 0 337.428 -1.256 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)c(C)n1 ZINC001083458478 685193829 /nfs/dbraw/zinc/19/38/29/685193829.db2.gz QEEAMVVQZUBZGC-GDLCADMTSA-N 1 0 326.397 -1.006 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)c(C)n1 ZINC001083458479 685193847 /nfs/dbraw/zinc/19/38/47/685193847.db2.gz QEEAMVVQZUBZGC-HONMWMINSA-N 1 0 326.397 -1.006 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)c1C ZINC001083458495 685193352 /nfs/dbraw/zinc/19/33/52/685193352.db2.gz QVNIEGCFGVMPFC-KGLIPLIRSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)c(C)n1 ZINC001083458525 685193270 /nfs/dbraw/zinc/19/32/70/685193270.db2.gz SAJORILIIYVLHP-KGLIPLIRSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)c1C ZINC001083458534 685193339 /nfs/dbraw/zinc/19/33/39/685193339.db2.gz SULRQCSUJOSOKC-GDLCADMTSA-N 1 0 326.397 -1.006 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)c1C ZINC001083458535 685193726 /nfs/dbraw/zinc/19/37/26/685193726.db2.gz SULRQCSUJOSOKC-HONMWMINSA-N 1 0 326.397 -1.006 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](O)C1 ZINC001083459387 685193663 /nfs/dbraw/zinc/19/36/63/685193663.db2.gz IUMKOOPJYDTJMV-RTXFEEFZSA-N 1 0 337.380 -1.430 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](O)C1 ZINC001083459388 685193813 /nfs/dbraw/zinc/19/38/13/685193813.db2.gz IUMKOOPJYDTJMV-UHTWSYAYSA-N 1 0 337.380 -1.430 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001083459516 685193585 /nfs/dbraw/zinc/19/35/85/685193585.db2.gz NYLIRHDQQQKPJG-RTXFEEFZSA-N 1 0 337.380 -1.694 20 0 EAADRO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001083459517 685193690 /nfs/dbraw/zinc/19/36/90/685193690.db2.gz NYLIRHDQQQKPJG-UHTWSYAYSA-N 1 0 337.380 -1.694 20 0 EAADRO C[C@H](C(N)=O)N1C[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@@H](O)C1 ZINC001083462217 685194070 /nfs/dbraw/zinc/19/40/70/685194070.db2.gz ZWCNBVNTKIPJIF-FZQKWOKYSA-N 1 0 335.408 -1.134 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@@H](O)C1 ZINC001083462218 685194619 /nfs/dbraw/zinc/19/46/19/685194619.db2.gz ZWCNBVNTKIPJIF-FZZIBODNSA-N 1 0 335.408 -1.134 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cc1=O ZINC001083462268 685194039 /nfs/dbraw/zinc/19/40/39/685194039.db2.gz CAZDAKOAUKBOSH-NEPJUHHUSA-N 1 0 333.352 -2.267 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001083463000 685195646 /nfs/dbraw/zinc/19/56/46/685195646.db2.gz LKEXLQRJOZTBJL-MNOVXSKESA-N 1 0 327.381 -1.421 20 0 EAADRO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001083463013 685195535 /nfs/dbraw/zinc/19/55/35/685195535.db2.gz MBTSCVHBAJGBHR-TUAOUCFPSA-N 1 0 341.408 -1.032 20 0 EAADRO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001083463014 685195734 /nfs/dbraw/zinc/19/57/34/685195734.db2.gz MBTSCVHBAJGBHR-UTUOFQBUSA-N 1 0 341.408 -1.032 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001083463170 685195803 /nfs/dbraw/zinc/19/58/03/685195803.db2.gz UPZGRSHKZKOBRW-AXFHLTTASA-N 1 0 327.381 -1.686 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001083463171 685195783 /nfs/dbraw/zinc/19/57/83/685195783.db2.gz UPZGRSHKZKOBRW-MXWKQRLJSA-N 1 0 327.381 -1.686 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1=O ZINC001083463326 685196728 /nfs/dbraw/zinc/19/67/28/685196728.db2.gz DCRDHAUMYGDCON-MNOVXSKESA-N 1 0 327.381 -1.685 20 0 EAADRO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001083463421 685196692 /nfs/dbraw/zinc/19/66/92/685196692.db2.gz IMKNSGQYTNAHOU-TUAOUCFPSA-N 1 0 341.408 -1.032 20 0 EAADRO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001083463422 685196765 /nfs/dbraw/zinc/19/67/65/685196765.db2.gz IMKNSGQYTNAHOU-UTUOFQBUSA-N 1 0 341.408 -1.032 20 0 EAADRO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001083463897 685197329 /nfs/dbraw/zinc/19/73/29/685197329.db2.gz FVZFRBDEGWFYRU-OLZOCXBDSA-N 1 0 334.384 -1.707 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083463990 685196738 /nfs/dbraw/zinc/19/67/38/685196738.db2.gz KOIOYKYMFDLAMS-KGLIPLIRSA-N 1 0 332.364 -1.473 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083464012 685196721 /nfs/dbraw/zinc/19/67/21/685196721.db2.gz LEWDTAZZRYVBML-KFWWJZLASA-N 1 0 346.391 -1.562 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083464013 685196754 /nfs/dbraw/zinc/19/67/54/685196754.db2.gz LEWDTAZZRYVBML-ZNMIVQPWSA-N 1 0 346.391 -1.562 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001083464032 685196468 /nfs/dbraw/zinc/19/64/68/685196468.db2.gz MAZZTRQMRHAKAE-MCIONIFRSA-N 1 0 332.364 -1.432 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001083464093 685196448 /nfs/dbraw/zinc/19/64/48/685196448.db2.gz OQFKDZPQAUMQSS-AXFHLTTASA-N 1 0 333.356 -2.387 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001083464094 685196589 /nfs/dbraw/zinc/19/65/89/685196589.db2.gz OQFKDZPQAUMQSS-MXWKQRLJSA-N 1 0 333.356 -2.387 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001083464140 685197209 /nfs/dbraw/zinc/19/72/09/685197209.db2.gz QOTMEQTVCOMEPG-MCIONIFRSA-N 1 0 338.412 -1.224 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001083464141 685197056 /nfs/dbraw/zinc/19/70/56/685197056.db2.gz QOTMEQTVCOMEPG-RDBSUJKOSA-N 1 0 338.412 -1.224 20 0 EAADRO Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464157 685197195 /nfs/dbraw/zinc/19/71/95/685197195.db2.gz RIYDVHXLFPJEQV-MNOVXSKESA-N 1 0 337.409 -1.158 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001083464301 685197003 /nfs/dbraw/zinc/19/70/03/685197003.db2.gz ZWCAPEYZTHGXBU-TUAOUCFPSA-N 1 0 337.384 -2.249 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001083464302 685197142 /nfs/dbraw/zinc/19/71/42/685197142.db2.gz ZWCAPEYZTHGXBU-UTUOFQBUSA-N 1 0 337.384 -2.249 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083464421 685197624 /nfs/dbraw/zinc/19/76/24/685197624.db2.gz GZYBZEXJBJKELV-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001083464503 685197265 /nfs/dbraw/zinc/19/72/65/685197265.db2.gz KKMBNAZGNPHGNG-TUAOUCFPSA-N 1 0 336.356 -2.908 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001083464504 685197225 /nfs/dbraw/zinc/19/72/25/685197225.db2.gz KKMBNAZGNPHGNG-UTUOFQBUSA-N 1 0 336.356 -2.908 20 0 EAADRO Cn1nnnc1CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465358 685199112 /nfs/dbraw/zinc/19/91/12/685199112.db2.gz AUPTWSMBDHFDQY-UPJWGTAASA-N 1 0 335.412 -1.787 20 0 EAADRO Cn1nnnc1CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465359 685199024 /nfs/dbraw/zinc/19/90/24/685199024.db2.gz AUPTWSMBDHFDQY-XQQFMLRXSA-N 1 0 335.412 -1.787 20 0 EAADRO Cn1cnnc1CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465360 685199006 /nfs/dbraw/zinc/19/90/06/685199006.db2.gz AVHAAEJTNRCEOG-MCIONIFRSA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1cnnc1CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465361 685198767 /nfs/dbraw/zinc/19/87/67/685198767.db2.gz AVHAAEJTNRCEOG-MJBXVCDLSA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1cc(CN2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)nn1 ZINC001083465383 685198974 /nfs/dbraw/zinc/19/89/74/685198974.db2.gz BQLVTUZVHFXXDJ-KFWWJZLASA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1cc(CN2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)nn1 ZINC001083465384 685199046 /nfs/dbraw/zinc/19/90/46/685199046.db2.gz BQLVTUZVHFXXDJ-ZNMIVQPWSA-N 1 0 334.424 -1.182 20 0 EAADRO O=C(CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1)N1CCC1 ZINC001083465457 685199031 /nfs/dbraw/zinc/19/90/31/685199031.db2.gz FYTGQCILXDGLGY-KFWWJZLASA-N 1 0 336.436 -1.278 20 0 EAADRO O=C(CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1)N1CCC1 ZINC001083465458 685198641 /nfs/dbraw/zinc/19/86/41/685198641.db2.gz FYTGQCILXDGLGY-ZNMIVQPWSA-N 1 0 336.436 -1.278 20 0 EAADRO Cn1nncc1CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465489 685199074 /nfs/dbraw/zinc/19/90/74/685199074.db2.gz GXNFLVTYVZVYQM-KFWWJZLASA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1nncc1CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465490 685198983 /nfs/dbraw/zinc/19/89/83/685198983.db2.gz GXNFLVTYVZVYQM-ZNMIVQPWSA-N 1 0 334.424 -1.182 20 0 EAADRO Cn1nnc(CN2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083465633 685199131 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ZINC001083523006 685220361 /nfs/dbraw/zinc/22/03/61/685220361.db2.gz ICJGLCVIRBUJOM-MCIONIFRSA-N 1 0 340.424 -1.724 20 0 EAADRO NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523007 685220376 /nfs/dbraw/zinc/22/03/76/685220376.db2.gz ICJGLCVIRBUJOM-RDBSUJKOSA-N 1 0 340.424 -1.724 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083528785 685221859 /nfs/dbraw/zinc/22/18/59/685221859.db2.gz IIXMORBOGPVAHD-OLZOCXBDSA-N 1 0 337.380 -2.097 20 0 EAADRO CC[C@H](C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1)OC ZINC001083529861 685222669 /nfs/dbraw/zinc/22/26/69/685222669.db2.gz KQOAQOQJLDONNL-UPJWGTAASA-N 1 0 329.397 -1.569 20 0 EAADRO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1)OC ZINC001083529862 685222701 /nfs/dbraw/zinc/22/27/01/685222701.db2.gz KQOAQOQJLDONNL-XQQFMLRXSA-N 1 0 329.397 -1.569 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083529915 685222481 /nfs/dbraw/zinc/22/24/81/685222481.db2.gz 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ZINC001083599556 685434461 /nfs/dbraw/zinc/43/44/61/685434461.db2.gz AEOFDLLTLCTXFR-OLZOCXBDSA-N 1 0 325.365 -1.738 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)ccc1=O ZINC001083599808 685432842 /nfs/dbraw/zinc/43/28/42/685432842.db2.gz NDIOBRNPBSUGFJ-OLZOCXBDSA-N 1 0 332.364 -1.548 20 0 EAADRO C[C@@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001083599853 685433071 /nfs/dbraw/zinc/43/30/71/685433071.db2.gz PEMHTDAHXIJDKJ-GDLCADMTSA-N 1 0 348.403 -1.173 20 0 EAADRO C[C@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001083599854 685433474 /nfs/dbraw/zinc/43/34/74/685433474.db2.gz PEMHTDAHXIJDKJ-HONMWMINSA-N 1 0 348.403 -1.173 20 0 EAADRO CCc1c(C(=O)N[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)cnn1C ZINC001083599872 685433351 /nfs/dbraw/zinc/43/33/51/685433351.db2.gz PVLLLBBKNLPMCV-RTXFEEFZSA-N 1 0 349.391 -1.437 20 0 EAADRO CCc1c(C(=O)N[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]2O)cnn1C ZINC001083599873 685433432 /nfs/dbraw/zinc/43/34/32/685433432.db2.gz 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CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1)OC ZINC001083601054 685434189 /nfs/dbraw/zinc/43/41/89/685434189.db2.gz BHWGKCUGMMSJBJ-XQQFMLRXSA-N 1 0 328.413 -1.012 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083601210 685435132 /nfs/dbraw/zinc/43/51/32/685435132.db2.gz JWCYMGBQDWGDRD-MCIONIFRSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083601211 685434687 /nfs/dbraw/zinc/43/46/87/685434687.db2.gz JWCYMGBQDWGDRD-MJBXVCDLSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083601272 685434924 /nfs/dbraw/zinc/43/49/24/685434924.db2.gz MWHLULUXSIQSBF-OLZOCXBDSA-N 1 0 336.396 -1.540 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083601281 685434807 /nfs/dbraw/zinc/43/48/07/685434807.db2.gz NKVJEHCQGWGLSY-KGLIPLIRSA-N 1 0 340.424 -1.010 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083601343 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ZINC001083690367 685567095 /nfs/dbraw/zinc/56/70/95/685567095.db2.gz PIVLEVVYOUVGGA-JLLWLGSASA-N 1 0 332.364 -1.361 20 0 EAADRO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 ZINC001083690368 685567037 /nfs/dbraw/zinc/56/70/37/685567037.db2.gz PIVLEVVYOUVGGA-WCQGTBRESA-N 1 0 332.364 -1.361 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001083692297 685567977 /nfs/dbraw/zinc/56/79/77/685567977.db2.gz GHAKJVSMEPCBQP-TUAOUCFPSA-N 1 0 336.396 -1.196 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001083692298 685567963 /nfs/dbraw/zinc/56/79/63/685567963.db2.gz GHAKJVSMEPCBQP-UTUOFQBUSA-N 1 0 336.396 -1.196 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083692979 685568017 /nfs/dbraw/zinc/56/80/17/685568017.db2.gz ORQIEOVAAOAQTQ-NEPJUHHUSA-N 1 0 336.396 -1.099 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001083693074 685568052 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326.397 -1.753 20 0 EAADRO CN(C)C(=O)CN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001083693290 685567905 /nfs/dbraw/zinc/56/79/05/685567905.db2.gz CEOZYMWKGIQZIJ-UTUOFQBUSA-N 1 0 326.397 -1.753 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)c1=O ZINC001083693615 685567754 /nfs/dbraw/zinc/56/77/54/685567754.db2.gz OEYGARHRTKDGIW-MNOVXSKESA-N 1 0 349.351 -2.448 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)c1=O ZINC001083693699 685568729 /nfs/dbraw/zinc/56/87/29/685568729.db2.gz QOOCRAFXHLSOQN-NEPJUHHUSA-N 1 0 348.363 -1.843 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)c1=O ZINC001083693785 685568854 /nfs/dbraw/zinc/56/88/54/685568854.db2.gz UWTCLEDEBRBERH-JLLWLGSASA-N 1 0 338.364 -1.703 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)c1=O ZINC001083693786 685568986 /nfs/dbraw/zinc/56/89/86/685568986.db2.gz UWTCLEDEBRBERH-WCQGTBRESA-N 1 0 338.364 -1.703 20 0 EAADRO 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ZINC001084081592 686316485 /nfs/dbraw/zinc/31/64/85/686316485.db2.gz FGZUTXTVOPDBPK-RTXFEEFZSA-N 1 0 334.376 -1.008 20 0 EAADRO NC(=O)c1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001084081593 686316507 /nfs/dbraw/zinc/31/65/07/686316507.db2.gz FGZUTXTVOPDBPK-UHTWSYAYSA-N 1 0 334.376 -1.008 20 0 EAADRO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090007 686332511 /nfs/dbraw/zinc/33/25/11/686332511.db2.gz FZOFECUCGJNPSK-KKZNHRDASA-N 1 0 326.357 -2.427 20 0 EAADRO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090008 686333547 /nfs/dbraw/zinc/33/35/47/686333547.db2.gz FZOFECUCGJNPSK-NGZCFLSTSA-N 1 0 326.357 -2.427 20 0 EAADRO CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090063 686333065 /nfs/dbraw/zinc/33/30/65/686333065.db2.gz ILAZDPQOGORINJ-PWSUYJOCSA-N 1 0 338.412 -1.026 20 0 EAADRO CC1CC(C[N@H+]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)[C@@H](O)C2)C1 ZINC001084090146 686333637 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ZINC001084091025 686334490 /nfs/dbraw/zinc/33/44/90/686334490.db2.gz VIYNIKYSELSYKT-PWSUYJOCSA-N 1 0 340.384 -2.476 20 0 EAADRO CC(C)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001084091026 686334172 /nfs/dbraw/zinc/33/41/72/686334172.db2.gz VKPAEUBAHOORQD-YPMHNXCESA-N 1 0 338.412 -1.203 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001084091887 686334505 /nfs/dbraw/zinc/33/45/05/686334505.db2.gz UQXVOKVSPUXLSP-AGIUHOORSA-N 1 0 337.428 -1.254 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001084091888 686333860 /nfs/dbraw/zinc/33/38/60/686333860.db2.gz UQXVOKVSPUXLSP-UPJWGTAASA-N 1 0 337.428 -1.254 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001084091947 686334580 /nfs/dbraw/zinc/33/45/80/686334580.db2.gz YFSYKICPVXHZHT-AGIUHOORSA-N 1 0 337.428 -1.254 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001084091948 686333904 /nfs/dbraw/zinc/33/39/04/686333904.db2.gz 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LWAJICRZOIACRV-GMTAPVOTSA-N 1 0 334.388 -1.025 20 0 EAADRO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1)c1nnnn1C ZINC001085128849 686363833 /nfs/dbraw/zinc/36/38/33/686363833.db2.gz LWAJICRZOIACRV-HBNTYKKESA-N 1 0 334.388 -1.025 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001085129093 686363441 /nfs/dbraw/zinc/36/34/41/686363441.db2.gz XXYUOUHRXRPGMX-GMTAPVOTSA-N 1 0 335.368 -1.505 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001085129094 686363571 /nfs/dbraw/zinc/36/35/71/686363571.db2.gz XXYUOUHRXRPGMX-MXWKQRLJSA-N 1 0 335.368 -1.505 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085130012 686363845 /nfs/dbraw/zinc/36/38/45/686363845.db2.gz SCVODXHQTKGSNT-VXGBXAGGSA-N 1 0 349.395 -1.161 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085186619 686365029 /nfs/dbraw/zinc/36/50/29/686365029.db2.gz AYRUDRBUPISPBJ-GHMZBOCLSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COC(=O)N2)nc1=O ZINC001085187010 686364803 /nfs/dbraw/zinc/36/48/03/686364803.db2.gz PUNYPLLAOMOFNO-BBBLOLIVSA-N 1 0 338.368 -1.266 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COC(=O)N2)nc1=O ZINC001085187011 686364915 /nfs/dbraw/zinc/36/49/15/686364915.db2.gz PUNYPLLAOMOFNO-OPRDCNLKSA-N 1 0 338.368 -1.266 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001085189495 686364858 /nfs/dbraw/zinc/36/48/58/686364858.db2.gz DKLSHKOTOGNIQF-GHMZBOCLSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001085190886 686365120 /nfs/dbraw/zinc/36/51/20/686365120.db2.gz YADAICWYSIECTJ-GHMZBOCLSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ncnn2)nc1=O ZINC001085199391 686366425 /nfs/dbraw/zinc/36/64/25/686366425.db2.gz JLKMHKGZUFHOLA-NXEZZACHSA-N 1 0 335.372 -1.688 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085199733 686366242 /nfs/dbraw/zinc/36/62/42/686366242.db2.gz AIJJVMIIZZAXLX-VXGBXAGGSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001085199743 686366036 /nfs/dbraw/zinc/36/60/36/686366036.db2.gz ASVNFFWIFIMOMO-GMTAPVOTSA-N 1 0 335.368 -1.505 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001085199744 686366192 /nfs/dbraw/zinc/36/61/92/686366192.db2.gz ASVNFFWIFIMOMO-MXWKQRLJSA-N 1 0 335.368 -1.505 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085199788 686366600 /nfs/dbraw/zinc/36/66/00/686366600.db2.gz CFQBAZDPWUCCNZ-VXGBXAGGSA-N 1 0 336.400 -1.285 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)n1 ZINC001085202901 686366105 /nfs/dbraw/zinc/36/61/05/686366105.db2.gz COKSEFOWUUNZFB-GMTAPVOTSA-N 1 0 349.395 -1.718 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)n1 ZINC001085202902 686366326 /nfs/dbraw/zinc/36/63/26/686366326.db2.gz COKSEFOWUUNZFB-MXWKQRLJSA-N 1 0 349.395 -1.718 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001085203225 686366571 /nfs/dbraw/zinc/36/65/71/686366571.db2.gz XFBSMUBUPVDJAF-IVZWLZJFSA-N 1 0 337.384 -1.732 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001085203226 686366657 /nfs/dbraw/zinc/36/66/57/686366657.db2.gz XFBSMUBUPVDJAF-OPRDCNLKSA-N 1 0 337.384 -1.732 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)C1CS(=O)(=O)C1 ZINC001085210201 686366487 /nfs/dbraw/zinc/36/64/87/686366487.db2.gz XJZUQODOEXMCIZ-IJLUTSLNSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)C1CS(=O)(=O)C1 ZINC001085210202 686366615 /nfs/dbraw/zinc/36/66/15/686366615.db2.gz XJZUQODOEXMCIZ-UTUOFQBUSA-N 1 0 329.422 -1.064 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)nc1=O ZINC001085212123 686366624 /nfs/dbraw/zinc/36/66/24/686366624.db2.gz JAUCKMMMSHZSAW-GHMZBOCLSA-N 1 0 334.384 -1.083 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085212759 686366563 /nfs/dbraw/zinc/36/65/63/686366563.db2.gz NBVRAVHQNCSVIJ-VXGBXAGGSA-N 1 0 349.395 -1.153 20 0 EAADRO COCCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC1=O ZINC001085217294 686366344 /nfs/dbraw/zinc/36/63/44/686366344.db2.gz WDMVIINOBZIVDB-JHJVBQTASA-N 1 0 340.424 -1.016 20 0 EAADRO COCCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC1=O ZINC001085217295 686367356 /nfs/dbraw/zinc/36/73/56/686367356.db2.gz WDMVIINOBZIVDB-YNEHKIRRSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCS1(=O)=O)C(N)=O ZINC001085217512 686367030 /nfs/dbraw/zinc/36/70/30/686367030.db2.gz DTNXNFQLBIVTKZ-IJLUTSLNSA-N 1 0 346.453 -1.087 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCS1(=O)=O)C(N)=O ZINC001085217513 686367624 /nfs/dbraw/zinc/36/76/24/686367624.db2.gz DTNXNFQLBIVTKZ-QJPTWQEYSA-N 1 0 346.453 -1.087 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)c1=O ZINC001085217775 686366840 /nfs/dbraw/zinc/36/68/40/686366840.db2.gz PVNBRCKKXWLFPZ-GHMZBOCLSA-N 1 0 337.380 -1.951 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001085217892 686366875 /nfs/dbraw/zinc/36/68/75/686366875.db2.gz WJKXEYVDEWWOAJ-JHJVBQTASA-N 1 0 338.408 -1.055 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001085217893 686367293 /nfs/dbraw/zinc/36/72/93/686367293.db2.gz WJKXEYVDEWWOAJ-YNEHKIRRSA-N 1 0 338.408 -1.055 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001085217910 686367099 /nfs/dbraw/zinc/36/70/99/686367099.db2.gz XFWRMUBWXLVPHL-GHMZBOCLSA-N 1 0 332.426 -1.476 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O)C(N)=O ZINC001085226618 686367198 /nfs/dbraw/zinc/36/71/98/686367198.db2.gz JFMXQZLWPZUPBI-IJLUTSLNSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O)C(N)=O ZINC001085226619 686367257 /nfs/dbraw/zinc/36/72/57/686367257.db2.gz JFMXQZLWPZUPBI-QJPTWQEYSA-N 1 0 326.397 -1.264 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001085226860 686367368 /nfs/dbraw/zinc/36/73/68/686367368.db2.gz VHFCZYWMPTWAIO-JHJVBQTASA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001085226861 686366977 /nfs/dbraw/zinc/36/69/77/686366977.db2.gz VHFCZYWMPTWAIO-UPJWGTAASA-N 1 0 338.408 -1.249 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2NC(=O)NC2=O)nn1 ZINC001085229338 686366960 /nfs/dbraw/zinc/36/69/60/686366960.db2.gz MASWSRAWLSRGRE-UTUOFQBUSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001085229535 686367318 /nfs/dbraw/zinc/36/73/18/686367318.db2.gz XRJGXJXVFXELBM-MXWKQRLJSA-N 1 0 349.395 -1.070 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001085229557 686367707 /nfs/dbraw/zinc/36/77/07/686367707.db2.gz YLMKGBSOSLKYHJ-UTUOFQBUSA-N 1 0 349.395 -1.107 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001085229568 686367677 /nfs/dbraw/zinc/36/76/77/686367677.db2.gz YXGLDKOYSNHQIR-UTUOFQBUSA-N 1 0 349.395 -1.070 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001085248891 686367205 /nfs/dbraw/zinc/36/72/05/686367205.db2.gz FHKBOTSUOUCOAW-JHJVBQTASA-N 1 0 339.440 -1.349 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001085248892 686367037 /nfs/dbraw/zinc/36/70/37/686367037.db2.gz FHKBOTSUOUCOAW-YNEHKIRRSA-N 1 0 339.440 -1.349 20 0 EAADRO CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC1=O ZINC001085250523 686367439 /nfs/dbraw/zinc/36/74/39/686367439.db2.gz XJNQJYCNUBBOPH-VXGBXAGGSA-N 1 0 325.413 -1.737 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001085250650 686367615 /nfs/dbraw/zinc/36/76/15/686367615.db2.gz CDEXUPXPLKMCAB-IJLUTSLNSA-N 1 0 338.412 -1.137 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001085250651 686367655 /nfs/dbraw/zinc/36/76/55/686367655.db2.gz CDEXUPXPLKMCAB-QJPTWQEYSA-N 1 0 338.412 -1.137 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)c1=O ZINC001085250742 686367697 /nfs/dbraw/zinc/36/76/97/686367697.db2.gz GTPPSGHTWGZHDO-IJLUTSLNSA-N 1 0 336.396 -1.513 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)c1=O ZINC001085250743 686367230 /nfs/dbraw/zinc/36/72/30/686367230.db2.gz GTPPSGHTWGZHDO-UTUOFQBUSA-N 1 0 336.396 -1.513 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)c1=O ZINC001085250895 686367114 /nfs/dbraw/zinc/36/71/14/686367114.db2.gz PFLQKYUTVOQDSH-CHWSQXEVSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001085250913 686367337 /nfs/dbraw/zinc/36/73/37/686367337.db2.gz QCCPHRGYFRWERV-VXGBXAGGSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ncn(C)c2=O)nn1 ZINC001085251058 686367152 /nfs/dbraw/zinc/36/71/52/686367152.db2.gz YKVHPOMGMZUDDL-CHWSQXEVSA-N 1 0 348.411 -1.073 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)c1=O ZINC001085251064 686367239 /nfs/dbraw/zinc/36/72/39/686367239.db2.gz YWKUOIVNVZGLFR-CHWSQXEVSA-N 1 0 348.411 -1.110 20 0 EAADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]n1)N1CCNC(=O)C1 ZINC001085256643 686367570 /nfs/dbraw/zinc/36/75/70/686367570.db2.gz PENQUAJYASZXRL-GHMZBOCLSA-N 1 0 349.395 -1.606 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)c1cn[nH]n1 ZINC001085257076 686367133 /nfs/dbraw/zinc/36/71/33/686367133.db2.gz MONPSINTADTAAH-NXEZZACHSA-N 1 0 335.368 -1.013 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001085262296 686367301 /nfs/dbraw/zinc/36/73/01/686367301.db2.gz GFCGOIQZBYWKEG-GMTAPVOTSA-N 1 0 337.380 -1.160 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001085262297 686366823 /nfs/dbraw/zinc/36/68/23/686366823.db2.gz GFCGOIQZBYWKEG-HBNTYKKESA-N 1 0 337.380 -1.160 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001085262355 686367385 /nfs/dbraw/zinc/36/73/85/686367385.db2.gz IYCMQKLJQVLGRU-IJLUTSLNSA-N 1 0 349.391 -1.146 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001085262356 686366832 /nfs/dbraw/zinc/36/68/32/686366832.db2.gz IYCMQKLJQVLGRU-UTUOFQBUSA-N 1 0 349.391 -1.146 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCCS1(=O)=O ZINC001085275366 686367172 /nfs/dbraw/zinc/36/71/72/686367172.db2.gz CMXXZJVQWBCARW-VXGBXAGGSA-N 1 0 346.453 -1.086 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001085281093 686366911 /nfs/dbraw/zinc/36/69/11/686366911.db2.gz AFLVAVGKIDPMCC-BBBLOLIVSA-N 1 0 346.409 -2.598 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCF)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001085281324 686367532 /nfs/dbraw/zinc/36/75/32/686367532.db2.gz NJTMWGUSMVXNQG-MXWKQRLJSA-N 1 0 335.401 -1.114 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001085281518 686367375 /nfs/dbraw/zinc/36/73/75/686367375.db2.gz XEKQNFQFPYETNL-MXWKQRLJSA-N 1 0 333.410 -2.091 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001085281744 686367066 /nfs/dbraw/zinc/36/70/66/686367066.db2.gz JHJWNVYHEOEBQQ-UTUOFQBUSA-N 1 0 334.380 -1.132 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC001085290992 686367477 /nfs/dbraw/zinc/36/74/77/686367477.db2.gz MYERJZFJBKJQPP-VXGBXAGGSA-N 1 0 346.391 -1.002 20 0 EAADRO Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)nn1-c1nc[nH]n1 ZINC001085291558 686367048 /nfs/dbraw/zinc/36/70/48/686367048.db2.gz QPJNRSCYLNKACL-NXEZZACHSA-N 1 0 347.383 -1.190 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001085294996 686367589 /nfs/dbraw/zinc/36/75/89/686367589.db2.gz MJAZMSWNMVDMRC-ZIAGYGMSSA-N 1 0 349.439 -1.236 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001085294998 686367637 /nfs/dbraw/zinc/36/76/37/686367637.db2.gz MKBJVPGOMXYMNJ-CHWSQXEVSA-N 1 0 349.439 -1.236 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001085295926 686367869 /nfs/dbraw/zinc/36/78/69/686367869.db2.gz GDGJBHFBESLLTQ-ZIAGYGMSSA-N 1 0 349.439 -1.273 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001085295987 686368534 /nfs/dbraw/zinc/36/85/34/686368534.db2.gz IYMGITWJIPDBQW-JHJVBQTASA-N 1 0 337.424 -1.676 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001085295988 686367945 /nfs/dbraw/zinc/36/79/45/686367945.db2.gz IYMGITWJIPDBQW-UPJWGTAASA-N 1 0 337.424 -1.676 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001085296031 686368030 /nfs/dbraw/zinc/36/80/30/686368030.db2.gz LEVFJZJERXINEB-IJLUTSLNSA-N 1 0 325.413 -1.691 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001085296032 686368500 /nfs/dbraw/zinc/36/85/00/686368500.db2.gz LEVFJZJERXINEB-QJPTWQEYSA-N 1 0 325.413 -1.691 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CCNC(=O)C2)nn1 ZINC001085296223 686368383 /nfs/dbraw/zinc/36/83/83/686368383.db2.gz UEFBYGQUIWOLOD-ZIAGYGMSSA-N 1 0 349.439 -1.236 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001085296306 686368588 /nfs/dbraw/zinc/36/85/88/686368588.db2.gz XVKPVBMLJAJAKI-JHJVBQTASA-N 1 0 339.440 -1.301 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001085296307 686368200 /nfs/dbraw/zinc/36/82/00/686368200.db2.gz XVKPVBMLJAJAKI-YNEHKIRRSA-N 1 0 339.440 -1.301 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCNC2=O)nc1=O ZINC001085296865 686367451 /nfs/dbraw/zinc/36/74/51/686367451.db2.gz SEUIZYOWUCTWNH-GMTAPVOTSA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)nc1=O ZINC001085296866 686367262 /nfs/dbraw/zinc/36/72/62/686367262.db2.gz SEUIZYOWUCTWNH-HBNTYKKESA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001085300237 686368429 /nfs/dbraw/zinc/36/84/29/686368429.db2.gz LJAAODXLCJJTEC-RKDXNWHRSA-N 1 0 335.372 -1.537 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001085300339 686368401 /nfs/dbraw/zinc/36/84/01/686368401.db2.gz PFAWPQLOZKNVDW-BBBLOLIVSA-N 1 0 335.368 -1.354 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001085300340 686368229 /nfs/dbraw/zinc/36/82/29/686368229.db2.gz PFAWPQLOZKNVDW-OPRDCNLKSA-N 1 0 335.368 -1.354 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001085300376 686368234 /nfs/dbraw/zinc/36/82/34/686368234.db2.gz QKGANESBBHRXBL-GHMZBOCLSA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)n1 ZINC001085300542 686368255 /nfs/dbraw/zinc/36/82/55/686368255.db2.gz YKSRIDHHYLMZEZ-GHMZBOCLSA-N 1 0 336.400 -1.134 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CNC(=O)N2)nc1=O ZINC001085315845 686368166 /nfs/dbraw/zinc/36/81/66/686368166.db2.gz LRLPQFULKVVTDH-BBBLOLIVSA-N 1 0 337.384 -1.693 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CNC(=O)N2)nc1=O ZINC001085315846 686367805 /nfs/dbraw/zinc/36/78/05/686367805.db2.gz LRLPQFULKVVTDH-OPRDCNLKSA-N 1 0 337.384 -1.693 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001085315967 686367905 /nfs/dbraw/zinc/36/79/05/686367905.db2.gz PZKZRFMBNMPLQS-IJLUTSLNSA-N 1 0 338.412 -1.290 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001085315968 686368099 /nfs/dbraw/zinc/36/80/99/686368099.db2.gz PZKZRFMBNMPLQS-UTUOFQBUSA-N 1 0 338.412 -1.290 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001085317370 686368036 /nfs/dbraw/zinc/36/80/36/686368036.db2.gz XJLAQJMTZHRAEZ-NXEZZACHSA-N 1 0 325.369 -2.553 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)CCO1 ZINC001085317573 686368139 /nfs/dbraw/zinc/36/81/39/686368139.db2.gz GQTQRHOXFYIKAA-IJLUTSLNSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)CCO1 ZINC001085317574 686367852 /nfs/dbraw/zinc/36/78/52/686367852.db2.gz GQTQRHOXFYIKAA-QJPTWQEYSA-N 1 0 326.397 -1.264 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1 ZINC001085317664 686368563 /nfs/dbraw/zinc/36/85/63/686368563.db2.gz JPLTUQLOWJROGT-IJLUTSLNSA-N 1 0 346.453 -1.230 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1 ZINC001085317665 686367834 /nfs/dbraw/zinc/36/78/34/686367834.db2.gz JPLTUQLOWJROGT-QJPTWQEYSA-N 1 0 346.453 -1.230 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001085317681 686368368 /nfs/dbraw/zinc/36/83/68/686368368.db2.gz KGXWNDBLQMHCNO-GHMZBOCLSA-N 1 0 332.426 -1.476 20 0 EAADRO Cn1c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)cc(=O)n(C)c1=O ZINC001085318298 686368481 /nfs/dbraw/zinc/36/84/81/686368481.db2.gz OWPVGSAHVOQFTO-GHMZBOCLSA-N 1 0 337.380 -1.914 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1=O ZINC001085318386 686368279 /nfs/dbraw/zinc/36/82/79/686368279.db2.gz TVCRLCKSNPUYIF-NXEZZACHSA-N 1 0 339.396 -1.181 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085326973 686367791 /nfs/dbraw/zinc/36/77/91/686367791.db2.gz RIBDGESTHGBWGQ-NXEZZACHSA-N 1 0 331.398 -1.320 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001085327118 686368508 /nfs/dbraw/zinc/36/85/08/686368508.db2.gz YRHQSCBTZFSIBI-RKDXNWHRSA-N 1 0 344.397 -1.827 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O ZINC001085335028 686368306 /nfs/dbraw/zinc/36/83/06/686368306.db2.gz XDMCMSRSFPHTPM-LMLFDSFASA-N 1 0 336.396 -1.253 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 ZINC001085347992 686367969 /nfs/dbraw/zinc/36/79/69/686367969.db2.gz KQVSOODJOAQUQR-UTUOFQBUSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001085348046 686367953 /nfs/dbraw/zinc/36/79/53/686367953.db2.gz MLESXXFDCVRBDQ-UTUOFQBUSA-N 1 0 349.395 -1.070 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001085348126 686367914 /nfs/dbraw/zinc/36/79/14/686367914.db2.gz PTOIDYWXZRDYPH-MXWKQRLJSA-N 1 0 349.395 -1.070 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001085348345 686368221 /nfs/dbraw/zinc/36/82/21/686368221.db2.gz ARRHVJMBDAASRK-UTUOFQBUSA-N 1 0 349.395 -1.107 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)c(=O)n(C)c1=O ZINC001085351351 686368083 /nfs/dbraw/zinc/36/80/83/686368083.db2.gz DCIROWZQVYRUSC-GHMZBOCLSA-N 1 0 337.380 -1.800 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncn2nccc2c1=O ZINC001085351397 686368116 /nfs/dbraw/zinc/36/81/16/686368116.db2.gz HFPQWBNMUPCMET-GHMZBOCLSA-N 1 0 347.379 -1.607 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1=O ZINC001085351422 686368133 /nfs/dbraw/zinc/36/81/33/686368133.db2.gz IMCFNBSKNVFQQE-NXEZZACHSA-N 1 0 326.353 -1.584 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085351597 686368539 /nfs/dbraw/zinc/36/85/39/686368539.db2.gz QFZHQCDZBVJFSU-VXGBXAGGSA-N 1 0 334.380 -1.100 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001085351657 686368050 /nfs/dbraw/zinc/36/80/50/686368050.db2.gz ULOFENQFVQLFHX-GMTAPVOTSA-N 1 0 340.380 -1.195 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001085351658 686368419 /nfs/dbraw/zinc/36/84/19/686368419.db2.gz ULOFENQFVQLFHX-HBNTYKKESA-N 1 0 340.380 -1.195 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1=O ZINC001085351669 686368350 /nfs/dbraw/zinc/36/83/50/686368350.db2.gz UYSWQFHJLIQLGV-RKDXNWHRSA-N 1 0 339.352 -2.091 20 0 EAADRO CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)S1(=O)=O ZINC001085360272 686368207 /nfs/dbraw/zinc/36/82/07/686368207.db2.gz WVQNGKMXCJGUFA-GMTAPVOTSA-N 1 0 332.426 -1.477 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)S1(=O)=O ZINC001085360273 686368298 /nfs/dbraw/zinc/36/82/98/686368298.db2.gz WVQNGKMXCJGUFA-MXWKQRLJSA-N 1 0 332.426 -1.477 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001085360463 686368001 /nfs/dbraw/zinc/36/80/01/686368001.db2.gz GMEUIDMELQOUPM-NGQZXSQQSA-N 1 0 337.380 -1.523 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001085362212 686368248 /nfs/dbraw/zinc/36/82/48/686368248.db2.gz QAHHZCBMGZODOC-GHMZBOCLSA-N 1 0 349.395 -1.003 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001085362819 686368294 /nfs/dbraw/zinc/36/82/94/686368294.db2.gz XNFOVOWTNYPTMY-IJLUTSLNSA-N 1 0 336.392 -1.055 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001085362820 686368454 /nfs/dbraw/zinc/36/84/54/686368454.db2.gz XNFOVOWTNYPTMY-UTUOFQBUSA-N 1 0 336.392 -1.055 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001085365546 686368327 /nfs/dbraw/zinc/36/83/27/686368327.db2.gz CCMZDDVLRXOFHF-GMTAPVOTSA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001085365547 686368104 /nfs/dbraw/zinc/36/81/04/686368104.db2.gz CCMZDDVLRXOFHF-HBNTYKKESA-N 1 0 339.396 -1.181 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001085365757 686367826 /nfs/dbraw/zinc/36/78/26/686367826.db2.gz NHTSNKRBFRIFOR-VXGBXAGGSA-N 1 0 349.395 -1.153 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001085365787 686368242 /nfs/dbraw/zinc/36/82/42/686368242.db2.gz OOMPRJIYDJUOQE-IVZWLZJFSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001085365788 686369273 /nfs/dbraw/zinc/36/92/73/686369273.db2.gz OOMPRJIYDJUOQE-OPRDCNLKSA-N 1 0 325.369 -1.571 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001085366016 686368924 /nfs/dbraw/zinc/36/89/24/686368924.db2.gz ATFUMWDQUPTCJF-GHMZBOCLSA-N 1 0 349.395 -1.116 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001085366101 686369018 /nfs/dbraw/zinc/36/90/18/686369018.db2.gz GEXUJQFNVXUHAX-GMTAPVOTSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001085366102 686369520 /nfs/dbraw/zinc/36/95/20/686369520.db2.gz GEXUJQFNVXUHAX-MXWKQRLJSA-N 1 0 337.380 -1.556 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001085366226 686369042 /nfs/dbraw/zinc/36/90/42/686369042.db2.gz MHLNEGAFGKVQCB-VXGBXAGGSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CC(=O)NC2=O)nn1 ZINC001085366249 686369317 /nfs/dbraw/zinc/36/93/17/686369317.db2.gz NRAZZEICKFOLRD-VXGBXAGGSA-N 1 0 349.395 -1.116 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)c1nnc[nH]1 ZINC001085367356 686368061 /nfs/dbraw/zinc/36/80/61/686368061.db2.gz OGEBOJWBUOUOOK-NXEZZACHSA-N 1 0 335.368 -1.013 20 0 EAADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nnc[nH]1)N1CCNC(=O)C1 ZINC001085368109 686367880 /nfs/dbraw/zinc/36/78/80/686367880.db2.gz DGGHNUAQWUQYEF-GHMZBOCLSA-N 1 0 349.395 -1.606 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085383612 686369138 /nfs/dbraw/zinc/36/91/38/686369138.db2.gz OYMFOHJROGYPKF-NXEZZACHSA-N 1 0 339.396 -1.181 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001085385559 686368912 /nfs/dbraw/zinc/36/89/12/686368912.db2.gz FXXBHHJIRONQSI-NXEZZACHSA-N 1 0 325.369 -1.569 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001085385879 686369083 /nfs/dbraw/zinc/36/90/83/686369083.db2.gz VVTYDYBFYGJZPI-GMTAPVOTSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001085385880 686368871 /nfs/dbraw/zinc/36/88/71/686368871.db2.gz VVTYDYBFYGJZPI-HBNTYKKESA-N 1 0 339.396 -1.181 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085388315 686369065 /nfs/dbraw/zinc/36/90/65/686369065.db2.gz DTMMQNRQGZJYOE-GHMZBOCLSA-N 1 0 349.395 -1.084 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001085392055 686368972 /nfs/dbraw/zinc/36/89/72/686368972.db2.gz ICGSRSNFSHMILL-GMTAPVOTSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001085392056 686368993 /nfs/dbraw/zinc/36/89/93/686368993.db2.gz ICGSRSNFSHMILL-HBNTYKKESA-N 1 0 339.396 -1.229 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1=O ZINC001085392215 686369367 /nfs/dbraw/zinc/36/93/67/686369367.db2.gz QIHFIPVTMQJMEC-NXEZZACHSA-N 1 0 325.369 -1.617 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001085393370 686368977 /nfs/dbraw/zinc/36/89/77/686368977.db2.gz UFARBTBIXAZGQJ-RKDXNWHRSA-N 1 0 333.352 -1.467 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1)C(N)=O ZINC001085393444 686369257 /nfs/dbraw/zinc/36/92/57/686369257.db2.gz XMAYVPSOWYJEEM-IVZWLZJFSA-N 1 0 347.379 -1.078 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1)C(N)=O ZINC001085393445 686369181 /nfs/dbraw/zinc/36/91/81/686369181.db2.gz XMAYVPSOWYJEEM-OPRDCNLKSA-N 1 0 347.379 -1.078 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC(=O)N2)nc1=O ZINC001085398849 686369543 /nfs/dbraw/zinc/36/95/43/686369543.db2.gz DGPMLXTYDXNAGS-MXWKQRLJSA-N 1 0 336.396 -1.096 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085410064 686369116 /nfs/dbraw/zinc/36/91/16/686369116.db2.gz CRAFGGVONNZZML-JHJVBQTASA-N 1 0 326.397 -1.264 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085410065 686368887 /nfs/dbraw/zinc/36/88/87/686368887.db2.gz CRAFGGVONNZZML-UPJWGTAASA-N 1 0 326.397 -1.264 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)C(N)=O)c(=O)n1C ZINC001085410826 686369051 /nfs/dbraw/zinc/36/90/51/686369051.db2.gz PQDFRQINEMSSFC-MVWJERBFSA-N 1 0 338.412 -1.219 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)C(N)=O)c(=O)n1C ZINC001085410827 686368904 /nfs/dbraw/zinc/36/89/04/686368904.db2.gz PQDFRQINEMSSFC-YUSALJHKSA-N 1 0 338.412 -1.219 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1=O ZINC001085413160 686369281 /nfs/dbraw/zinc/36/92/81/686369281.db2.gz GVJNVIPYWKZVJO-NXEZZACHSA-N 1 0 339.396 -1.181 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cncn2)nc1=O ZINC001085414698 686369163 /nfs/dbraw/zinc/36/91/63/686369163.db2.gz KBPGLFCWTIFLQT-GHMZBOCLSA-N 1 0 334.384 -1.083 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085415788 686369421 /nfs/dbraw/zinc/36/94/21/686369421.db2.gz OMFHREYKLMLPOH-VXGBXAGGSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001085416096 686368798 /nfs/dbraw/zinc/36/87/98/686368798.db2.gz FMOAJEJAHZCUNA-GMTAPVOTSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001085416097 686368958 /nfs/dbraw/zinc/36/89/58/686368958.db2.gz FMOAJEJAHZCUNA-MXWKQRLJSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001085416210 686369012 /nfs/dbraw/zinc/36/90/12/686369012.db2.gz LUGCZFKPZBHYMX-VXGBXAGGSA-N 1 0 349.395 -1.153 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1=O ZINC001085416214 686368757 /nfs/dbraw/zinc/36/87/57/686368757.db2.gz LVLUCESGGAMUPQ-NXEZZACHSA-N 1 0 325.369 -1.617 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001085416233 686369357 /nfs/dbraw/zinc/36/93/57/686369357.db2.gz MRHDKXXLKWAKSW-GMTAPVOTSA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001085416234 686369110 /nfs/dbraw/zinc/36/91/10/686369110.db2.gz MRHDKXXLKWAKSW-HBNTYKKESA-N 1 0 339.396 -1.181 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2C(=O)CNC2=O)nn1 ZINC001085416259 686368810 /nfs/dbraw/zinc/36/88/10/686368810.db2.gz NTAXJRHYKCGJPB-VXGBXAGGSA-N 1 0 349.395 -1.116 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001085416366 686369248 /nfs/dbraw/zinc/36/92/48/686369248.db2.gz UERSQPSIXRWMCP-IVZWLZJFSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001085416367 686368835 /nfs/dbraw/zinc/36/88/35/686368835.db2.gz UERSQPSIXRWMCP-OPRDCNLKSA-N 1 0 325.369 -1.571 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001085416402 686369573 /nfs/dbraw/zinc/36/95/73/686369573.db2.gz VRWZNJOZLANXIC-VXGBXAGGSA-N 1 0 349.395 -1.116 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001085416453 686369463 /nfs/dbraw/zinc/36/94/63/686369463.db2.gz XXPATFUHIYDLHD-GHMZBOCLSA-N 1 0 349.395 -1.116 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001085416818 686369024 /nfs/dbraw/zinc/36/90/24/686369024.db2.gz RTZQOGUFHIHESG-GMTAPVOTSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001085416819 686369482 /nfs/dbraw/zinc/36/94/82/686369482.db2.gz RTZQOGUFHIHESG-HBNTYKKESA-N 1 0 339.396 -1.229 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCS(=O)(=O)CC1 ZINC001085420359 686369429 /nfs/dbraw/zinc/36/94/29/686369429.db2.gz AGLLCJUECXTJHW-VXGBXAGGSA-N 1 0 346.453 -1.781 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001085420590 686369334 /nfs/dbraw/zinc/36/93/34/686369334.db2.gz NHHINYLJUGFFSK-FBIMIBRVSA-N 1 0 337.380 -1.010 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001085420591 686369089 /nfs/dbraw/zinc/36/90/89/686369089.db2.gz NHHINYLJUGFFSK-JMJZKYOTSA-N 1 0 337.380 -1.010 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085420644 686369153 /nfs/dbraw/zinc/36/91/53/686369153.db2.gz QJWGZIYJNCXGAK-CHWSQXEVSA-N 1 0 333.454 -1.274 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085428226 686369492 /nfs/dbraw/zinc/36/94/92/686369492.db2.gz RVXCEKDIJMWRRF-JHJVBQTASA-N 1 0 326.397 -1.264 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085428227 686369099 /nfs/dbraw/zinc/36/90/99/686369099.db2.gz RVXCEKDIJMWRRF-UPJWGTAASA-N 1 0 326.397 -1.264 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)nn1 ZINC001085432093 686369385 /nfs/dbraw/zinc/36/93/85/686369385.db2.gz HZCVPMHWTVLRKZ-GMTAPVOTSA-N 1 0 349.395 -1.718 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)nn1 ZINC001085432094 686368826 /nfs/dbraw/zinc/36/88/26/686368826.db2.gz HZCVPMHWTVLRKZ-MXWKQRLJSA-N 1 0 349.395 -1.718 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001085433104 686369456 /nfs/dbraw/zinc/36/94/56/686369456.db2.gz RVQBYIAVSYJQDR-IVZWLZJFSA-N 1 0 337.384 -1.732 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001085433105 686369410 /nfs/dbraw/zinc/36/94/10/686369410.db2.gz RVQBYIAVSYJQDR-OPRDCNLKSA-N 1 0 337.384 -1.732 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)nn1 ZINC001085433154 686369056 /nfs/dbraw/zinc/36/90/56/686369056.db2.gz ZYSOGXDMDRTATM-VXGBXAGGSA-N 1 0 338.412 -1.011 20 0 EAADRO CN(C[C@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1)C(=O)c1nnn(C)n1 ZINC001085772158 686378248 /nfs/dbraw/zinc/37/82/48/686378248.db2.gz RGWAWVBCFSGPPA-NEPJUHHUSA-N 1 0 334.384 -1.386 20 0 EAADRO CN(C[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1)C(=O)c1nnn(C)n1 ZINC001085772159 686379144 /nfs/dbraw/zinc/37/91/44/686379144.db2.gz RGWAWVBCFSGPPA-NWDGAFQWSA-N 1 0 334.384 -1.386 20 0 EAADRO CN(C[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1)C(=O)c1nnn(C)n1 ZINC001085772160 686378451 /nfs/dbraw/zinc/37/84/51/686378451.db2.gz RGWAWVBCFSGPPA-RYUDHWBXSA-N 1 0 334.384 -1.386 20 0 EAADRO CN(C[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1)C(=O)c1nnn(C)n1 ZINC001085772161 686379111 /nfs/dbraw/zinc/37/91/11/686379111.db2.gz RGWAWVBCFSGPPA-VXGBXAGGSA-N 1 0 334.384 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NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001086125087 686389566 /nfs/dbraw/zinc/38/95/66/686389566.db2.gz NZHUTWRQWAXVRP-OTSSQURYSA-N 1 0 330.366 -1.490 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001086125338 686389918 /nfs/dbraw/zinc/38/99/18/686389918.db2.gz WAUDIMWCUHVGGM-NNYUYHANSA-N 1 0 348.407 -1.081 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001086125339 686389871 /nfs/dbraw/zinc/38/98/71/686389871.db2.gz WAUDIMWCUHVGGM-WISYIIOYSA-N 1 0 348.407 -1.081 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001086125340 686389460 /nfs/dbraw/zinc/38/94/60/686389460.db2.gz WAUDIMWCUHVGGM-WYUUTHIRSA-N 1 0 348.407 -1.081 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001086125341 686389541 /nfs/dbraw/zinc/38/95/41/686389541.db2.gz WAUDIMWCUHVGGM-YFKTTZPYSA-N 1 0 348.407 -1.081 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001086132733 686391021 /nfs/dbraw/zinc/39/10/21/686391021.db2.gz CTCDBFAPFOOEAH-NNYUYHANSA-N 1 0 336.392 -1.198 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001086132734 686390635 /nfs/dbraw/zinc/39/06/35/686390635.db2.gz CTCDBFAPFOOEAH-WISYIIOYSA-N 1 0 336.392 -1.198 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001086132735 686390659 /nfs/dbraw/zinc/39/06/59/686390659.db2.gz CTCDBFAPFOOEAH-WYUUTHIRSA-N 1 0 336.392 -1.198 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001086132736 686390650 /nfs/dbraw/zinc/39/06/50/686390650.db2.gz CTCDBFAPFOOEAH-YFKTTZPYSA-N 1 0 336.392 -1.198 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn[nH]n3)C2)n(C)c1=O ZINC001086134025 686389632 /nfs/dbraw/zinc/38/96/32/686389632.db2.gz NVDQOJQYVIKQMU-AOOOYVTPSA-N 1 0 347.379 -1.500 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)nc1=O ZINC001086134044 686389971 /nfs/dbraw/zinc/38/99/71/686389971.db2.gz OUBUWSLOJZEKHN-GARJFASQSA-N 1 0 336.396 -1.381 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn[nH]n2)C1)N1CCNC(=O)C1 ZINC001086135645 686389711 /nfs/dbraw/zinc/38/97/11/686389711.db2.gz OYMXSSOLAXJCKA-AOOOYVTPSA-N 1 0 335.368 -2.139 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)c1cn[nH]n1 ZINC001086135780 686390283 /nfs/dbraw/zinc/39/02/83/686390283.db2.gz WZWLHSPKVYHXQX-PHIMTYICSA-N 1 0 342.425 -1.062 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1)C(N)=O ZINC001086137205 686390704 /nfs/dbraw/zinc/39/07/04/686390704.db2.gz UKFCNIUZYWZQQH-HLTSFMKQSA-N 1 0 344.393 -1.101 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1)C(N)=O ZINC001086137206 686391047 /nfs/dbraw/zinc/39/10/47/686391047.db2.gz UKFCNIUZYWZQQH-XHNCKOQMSA-N 1 0 344.393 -1.101 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001086137575 686390776 /nfs/dbraw/zinc/39/07/76/686390776.db2.gz OTHCEOKYVZDRSZ-OCAPTIKFSA-N 1 0 330.366 -1.490 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001086138305 686390466 /nfs/dbraw/zinc/39/04/66/686390466.db2.gz BXPZUEZOOYPJMY-WAAGHKOSSA-N 1 0 333.348 -1.004 20 0 EAADRO Cn1cncc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001086139679 686390932 /nfs/dbraw/zinc/39/09/32/686390932.db2.gz XKJLSEGGVACHIJ-TXEJJXNPSA-N 1 0 348.407 -1.524 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001086141224 686390719 /nfs/dbraw/zinc/39/07/19/686390719.db2.gz VZWLVUZYDHUENU-NNYUYHANSA-N 1 0 329.422 -1.206 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001086141225 686390957 /nfs/dbraw/zinc/39/09/57/686390957.db2.gz VZWLVUZYDHUENU-WISYIIOYSA-N 1 0 329.422 -1.206 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001086141226 686390730 /nfs/dbraw/zinc/39/07/30/686390730.db2.gz VZWLVUZYDHUENU-WYUUTHIRSA-N 1 0 329.422 -1.206 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001086141227 686390681 /nfs/dbraw/zinc/39/06/81/686390681.db2.gz VZWLVUZYDHUENU-YFKTTZPYSA-N 1 0 329.422 -1.206 20 0 EAADRO COCCn1nc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)ccc1=O ZINC001086142893 686390713 /nfs/dbraw/zinc/39/07/13/686390713.db2.gz QLBGQESHQVHCHN-PHIMTYICSA-N 1 0 337.380 -1.527 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)ncc1=O ZINC001086154125 686391030 /nfs/dbraw/zinc/39/10/30/686391030.db2.gz QQAZQFDSTXTYLX-TXEJJXNPSA-N 1 0 348.407 -1.097 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001086154200 686390893 /nfs/dbraw/zinc/39/08/93/686390893.db2.gz UUKSJAHORUPKRD-AXFHLTTASA-N 1 0 347.375 -1.317 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001086154201 686390756 /nfs/dbraw/zinc/39/07/56/686390756.db2.gz UUKSJAHORUPKRD-OUAUKWLOSA-N 1 0 347.375 -1.317 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](CNC(=O)c3cn(C)c(=O)cn3)C2)nc1=O ZINC001086154208 686390586 /nfs/dbraw/zinc/39/05/86/686390586.db2.gz VHZOQBILERIGBF-AOOOYVTPSA-N 1 0 347.379 -1.500 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001086155919 686390799 /nfs/dbraw/zinc/39/07/99/686390799.db2.gz GASHTKPYLHYHKI-DNIRFERGSA-N 1 0 346.391 -1.262 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001086155920 686390616 /nfs/dbraw/zinc/39/06/16/686390616.db2.gz GASHTKPYLHYHKI-LFSVMHDDSA-N 1 0 346.391 -1.262 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001086156350 686390949 /nfs/dbraw/zinc/39/09/49/686390949.db2.gz AUVTYRKDWNYWDT-TUAOUCFPSA-N 1 0 329.422 -1.206 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001086156400 686390532 /nfs/dbraw/zinc/39/05/32/686390532.db2.gz CSHGIHKEIFKSNF-MMWGEVLESA-N 1 0 333.410 -2.235 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001086156401 686391043 /nfs/dbraw/zinc/39/10/43/686391043.db2.gz CSHGIHKEIFKSNF-ZNSHCXBVSA-N 1 0 333.410 -2.235 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001086156875 686390570 /nfs/dbraw/zinc/39/05/70/686390570.db2.gz UIFWOPFXPVVEGP-YIZRAAEISA-N 1 0 332.382 -3.131 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001086156969 686390794 /nfs/dbraw/zinc/39/07/94/686390794.db2.gz YZOGWOLHPAGXTK-IMSYWVGJSA-N 1 0 346.409 -2.742 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(N)=O ZINC001086156970 686390698 /nfs/dbraw/zinc/39/06/98/686390698.db2.gz YZOGWOLHPAGXTK-QEYWKRMJSA-N 1 0 346.409 -2.742 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)C(N)=O ZINC001086157173 686391839 /nfs/dbraw/zinc/39/18/39/686391839.db2.gz HEKWMPZIGLPEAX-GUDRVLHUSA-N 1 0 334.380 -1.276 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)C(N)=O ZINC001086157174 686391311 /nfs/dbraw/zinc/39/13/11/686391311.db2.gz HEKWMPZIGLPEAX-SVDPJWKOSA-N 1 0 334.380 -1.276 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001086158167 686390555 /nfs/dbraw/zinc/39/05/55/686390555.db2.gz UVKXYOCGEWABRX-AOOOYVTPSA-N 1 0 330.352 -1.359 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001086158909 686390897 /nfs/dbraw/zinc/39/08/97/686390897.db2.gz BYCVYBVLYAKORY-AXFHLTTASA-N 1 0 334.367 -1.078 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001086158910 686390564 /nfs/dbraw/zinc/39/05/64/686390564.db2.gz BYCVYBVLYAKORY-OUAUKWLOSA-N 1 0 334.367 -1.078 20 0 EAADRO Cc1cn2nc(C(=O)NC[C@H]3C[C@@H]([NH2+]CC(N)=O)C3)cc2c(=O)[nH]1 ZINC001086159460 686390643 /nfs/dbraw/zinc/39/06/43/686390643.db2.gz VMSLFGMRZMFDLA-AOOOYVTPSA-N 1 0 332.364 -1.086 20 0 EAADRO CO[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)N(C(C)=O)C1 ZINC001086160443 686391998 /nfs/dbraw/zinc/39/19/98/686391998.db2.gz PHYVDIDJCMVKJU-QNWHQSFQSA-N 1 0 326.397 -1.408 20 0 EAADRO CO[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)N(C(C)=O)C1 ZINC001086160621 686391644 /nfs/dbraw/zinc/39/16/44/686391644.db2.gz YRHAWGMUIALDLU-FRVYIDGWSA-N 1 0 340.424 -1.020 20 0 EAADRO CO[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)N(C(C)=O)C1 ZINC001086160622 686391727 /nfs/dbraw/zinc/39/17/27/686391727.db2.gz YRHAWGMUIALDLU-QKGWFMCXSA-N 1 0 340.424 -1.020 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnco2)C1)N1CCNC(=O)C1 ZINC001086161280 686391597 /nfs/dbraw/zinc/39/15/97/686391597.db2.gz HWTCREVEMPLGPN-PHIMTYICSA-N 1 0 335.364 -1.269 20 0 EAADRO Cc1nc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001086162593 686391295 /nfs/dbraw/zinc/39/12/95/686391295.db2.gz WEBFRAIWVHFDHO-QNSHHTMESA-N 1 0 347.383 -1.334 20 0 EAADRO Cc1nc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001086162594 686391573 /nfs/dbraw/zinc/39/15/73/686391573.db2.gz WEBFRAIWVHFDHO-UJNFCWOMSA-N 1 0 347.383 -1.334 20 0 EAADRO Cc1nc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)nn1-c1nc[nH]n1 ZINC001086163011 686391531 /nfs/dbraw/zinc/39/15/31/686391531.db2.gz SOPVSZQFOZANDL-DTORHVGOSA-N 1 0 333.356 -1.723 20 0 EAADRO Cc1n[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001086163531 686391743 /nfs/dbraw/zinc/39/17/43/686391743.db2.gz RWUHRADLSRRXLL-TXEJJXNPSA-N 1 0 348.407 -1.225 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001086164157 686391873 /nfs/dbraw/zinc/39/18/73/686391873.db2.gz AHPIJCLHBNEYFW-PHIMTYICSA-N 1 0 349.395 -1.830 20 0 EAADRO Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086164784 686391782 /nfs/dbraw/zinc/39/17/82/686391782.db2.gz FUPMRBPKZALYSM-AOOOYVTPSA-N 1 0 335.368 -1.237 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)c1=O ZINC001086165706 686391678 /nfs/dbraw/zinc/39/16/78/686391678.db2.gz BQUICIOWPOBUKP-PHIMTYICSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001086165796 686391928 /nfs/dbraw/zinc/39/19/28/686391928.db2.gz IREYNUXITZAXJP-NGZCFLSTSA-N 1 0 335.364 -1.528 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001086165797 686391550 /nfs/dbraw/zinc/39/15/50/686391550.db2.gz IREYNUXITZAXJP-WCABBAIRSA-N 1 0 335.364 -1.528 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001086165808 686391353 /nfs/dbraw/zinc/39/13/53/686391353.db2.gz JNHADWFZLRDTPD-JFGNBEQYSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001086165809 686391579 /nfs/dbraw/zinc/39/15/79/686391579.db2.gz JNHADWFZLRDTPD-UMNHJUIQSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)c1=O ZINC001086166056 686391561 /nfs/dbraw/zinc/39/15/61/686391561.db2.gz WVQNXLYHVNWTAM-PHIMTYICSA-N 1 0 347.379 -1.124 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001086166162 686391374 /nfs/dbraw/zinc/39/13/74/686391374.db2.gz BIWDABLLDPFPHH-CHWFTXMASA-N 1 0 336.400 -1.221 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001086166163 686391412 /nfs/dbraw/zinc/39/14/12/686391412.db2.gz BIWDABLLDPFPHH-MMWGEVLESA-N 1 0 336.400 -1.221 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001086166164 686392019 /nfs/dbraw/zinc/39/20/19/686392019.db2.gz BIWDABLLDPFPHH-UKKRHICBSA-N 1 0 336.400 -1.221 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001086166165 686391363 /nfs/dbraw/zinc/39/13/63/686391363.db2.gz BIWDABLLDPFPHH-ZNSHCXBVSA-N 1 0 336.400 -1.221 20 0 EAADRO 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O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)[C@H]1CNC(=O)N1 ZINC001086183920 686392260 /nfs/dbraw/zinc/39/22/60/686392260.db2.gz ASUXFOCENCCCQR-WRWGMCAJSA-N 1 0 333.396 -1.069 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCOCC1 ZINC001086183929 686392775 /nfs/dbraw/zinc/39/27/75/686392775.db2.gz AXJJPTXOLSATTF-GRYCIOLGSA-N 1 0 339.396 -1.989 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCOCC1 ZINC001086183930 686392694 /nfs/dbraw/zinc/39/26/94/686392694.db2.gz AXJJPTXOLSATTF-TUAOUCFPSA-N 1 0 339.396 -1.989 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CNC(=O)N1 ZINC001086183973 686392166 /nfs/dbraw/zinc/39/21/66/686392166.db2.gz CMNPXGSTMTVCSD-NNYUYHANSA-N 1 0 344.437 -1.413 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@H]1CNC(=O)N1 ZINC001086183974 686392519 /nfs/dbraw/zinc/39/25/19/686392519.db2.gz CMNPXGSTMTVCSD-WISYIIOYSA-N 1 0 344.437 -1.413 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CNC(=O)N1 ZINC001086183975 686392394 /nfs/dbraw/zinc/39/23/94/686392394.db2.gz CMNPXGSTMTVCSD-WYUUTHIRSA-N 1 0 344.437 -1.413 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CNC(=O)N1 ZINC001086183976 686392681 /nfs/dbraw/zinc/39/26/81/686392681.db2.gz CMNPXGSTMTVCSD-YFKTTZPYSA-N 1 0 344.437 -1.413 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001086184011 686392823 /nfs/dbraw/zinc/39/28/23/686392823.db2.gz DQPUMOUMIKQDQN-AEJSXWLSSA-N 1 0 338.368 -2.296 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001086184012 686392373 /nfs/dbraw/zinc/39/23/73/686392373.db2.gz DQPUMOUMIKQDQN-KXUCPTDWSA-N 1 0 338.368 -2.296 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1CNC(=O)N1 ZINC001086184492 686392223 /nfs/dbraw/zinc/39/22/23/686392223.db2.gz QGRQRLOQSOJDKA-AXFHLTTASA-N 1 0 349.395 -1.526 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@H]1CNC(=O)N1 ZINC001086184493 686392667 /nfs/dbraw/zinc/39/26/67/686392667.db2.gz QGRQRLOQSOJDKA-OUAUKWLOSA-N 1 0 349.395 -1.526 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1)[C@@H]1CNC(=O)N1 ZINC001086184844 686392274 /nfs/dbraw/zinc/39/22/74/686392274.db2.gz YORVKWFMZZEFKU-AXFHLTTASA-N 1 0 339.375 -1.087 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1)[C@H]1CNC(=O)N1 ZINC001086184845 686392627 /nfs/dbraw/zinc/39/26/27/686392627.db2.gz YORVKWFMZZEFKU-OUAUKWLOSA-N 1 0 339.375 -1.087 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001086185282 686392719 /nfs/dbraw/zinc/39/27/19/686392719.db2.gz RRCRZVOJSMNUBX-AXFHLTTASA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001086185283 686392289 /nfs/dbraw/zinc/39/22/89/686392289.db2.gz RRCRZVOJSMNUBX-OUAUKWLOSA-N 1 0 337.380 -1.699 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)[nH]c1=O ZINC001086187075 686392504 /nfs/dbraw/zinc/39/25/04/686392504.db2.gz FEKZAERYGFQMRL-DTORHVGOSA-N 1 0 335.368 -1.154 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1)C(N)=O ZINC001086193622 686392702 /nfs/dbraw/zinc/39/27/02/686392702.db2.gz KEKXDCGSCCUSQR-BIIVOSGPSA-N 1 0 344.397 -1.971 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1)C(N)=O ZINC001086193623 686392360 /nfs/dbraw/zinc/39/23/60/686392360.db2.gz KEKXDCGSCCUSQR-PRJMDXOYSA-N 1 0 344.397 -1.971 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001086193752 686392748 /nfs/dbraw/zinc/39/27/48/686392748.db2.gz PZJBPKMVBTTYBV-KNVOCYPGSA-N 1 0 330.370 -2.360 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001086193763 686392284 /nfs/dbraw/zinc/39/22/84/686392284.db2.gz QSQNQHXFSYCJEN-HLTSFMKQSA-N 1 0 331.398 -1.464 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001086193764 686392447 /nfs/dbraw/zinc/39/24/47/686392447.db2.gz QSQNQHXFSYCJEN-XHNCKOQMSA-N 1 0 331.398 -1.464 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)O1 ZINC001086195836 686392804 /nfs/dbraw/zinc/39/28/04/686392804.db2.gz JZMLZGJADFEZSX-QNWHQSFQSA-N 1 0 338.408 -1.264 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1)C(N)=O ZINC001086196117 686392637 /nfs/dbraw/zinc/39/26/37/686392637.db2.gz WCGCHZJBMRKXAN-LBELIVKGSA-N 1 0 340.424 -1.020 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1)C(N)=O ZINC001086196118 686392366 /nfs/dbraw/zinc/39/23/66/686392366.db2.gz WCGCHZJBMRKXAN-YYHQMBLXSA-N 1 0 340.424 -1.020 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086196254 686392558 /nfs/dbraw/zinc/39/25/58/686392558.db2.gz AYTIXXWZOODWNC-WHOHXGKFSA-N 1 0 336.396 -1.168 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC001086196432 686392779 /nfs/dbraw/zinc/39/27/79/686392779.db2.gz KDNSQMVQVOQTAG-KXNHARMFSA-N 1 0 326.397 -1.408 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)O1 ZINC001086196521 686392725 /nfs/dbraw/zinc/39/27/25/686392725.db2.gz OXSOEYQHLANUHJ-FPYNETTCSA-N 1 0 338.408 -1.218 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)O1 ZINC001086196522 686392298 /nfs/dbraw/zinc/39/22/98/686392298.db2.gz OXSOEYQHLANUHJ-RXGFPQBGSA-N 1 0 338.408 -1.218 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086196527 686393204 /nfs/dbraw/zinc/39/32/04/686393204.db2.gz PONNDGVXZIULGB-JULQROHOSA-N 1 0 336.396 -1.168 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001086196596 686393220 /nfs/dbraw/zinc/39/32/20/686393220.db2.gz SXBPEJVTGRZXTK-JULQROHOSA-N 1 0 336.396 -1.168 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001086196616 686393378 /nfs/dbraw/zinc/39/33/78/686393378.db2.gz ULWUGOPXCGQGSJ-JULQROHOSA-N 1 0 336.396 -1.168 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086196670 686393018 /nfs/dbraw/zinc/39/30/18/686393018.db2.gz XBQTULFBLORWRX-WHOHXGKFSA-N 1 0 336.396 -1.168 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)O1 ZINC001086197054 686393551 /nfs/dbraw/zinc/39/35/51/686393551.db2.gz QPIBJJFKHLCCLU-QNWHQSFQSA-N 1 0 336.396 -1.205 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)C(N)=O ZINC001086197105 686393169 /nfs/dbraw/zinc/39/31/69/686393169.db2.gz SLMZEQBDUDHXEM-CSYMLDBXSA-N 1 0 326.397 -1.232 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)C(N)=O ZINC001086197106 686392983 /nfs/dbraw/zinc/39/29/83/686392983.db2.gz SLMZEQBDUDHXEM-KZZRWZIVSA-N 1 0 326.397 -1.232 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1=O ZINC001086197131 686393254 /nfs/dbraw/zinc/39/32/54/686393254.db2.gz UKOWIKKSBLMCOX-FPYNETTCSA-N 1 0 338.408 -1.266 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1=O ZINC001086197132 686393278 /nfs/dbraw/zinc/39/32/78/686393278.db2.gz UKOWIKKSBLMCOX-RXGFPQBGSA-N 1 0 338.408 -1.266 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)C2)nc1=O ZINC001086198377 686392243 /nfs/dbraw/zinc/39/22/43/686392243.db2.gz RESCJXYNNRGZRD-DTORHVGOSA-N 1 0 347.379 -1.166 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086198860 686393410 /nfs/dbraw/zinc/39/34/10/686393410.db2.gz IYCVGGOXIPQSKS-XQHKEYJVSA-N 1 0 338.408 -1.549 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086199251 686393485 /nfs/dbraw/zinc/39/34/85/686393485.db2.gz USYYDAZXFNOTGC-KXNHARMFSA-N 1 0 348.407 -1.086 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086199526 686392996 /nfs/dbraw/zinc/39/29/96/686392996.db2.gz FZRBYHWMRJFAIX-KXNHARMFSA-N 1 0 336.392 -1.259 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086199653 686392970 /nfs/dbraw/zinc/39/29/70/686392970.db2.gz MKBHFVFFGMTKDJ-YTWAJWBKSA-N 1 0 337.380 -1.856 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1)C(N)=O ZINC001086204116 686393341 /nfs/dbraw/zinc/39/33/41/686393341.db2.gz DTNJFMQWCIFGFM-FIQHERPVSA-N 1 0 335.412 -1.016 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1)C(N)=O ZINC001086204117 686392990 /nfs/dbraw/zinc/39/29/90/686392990.db2.gz DTNJFMQWCIFGFM-KKOKHZNYSA-N 1 0 335.412 -1.016 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1)C(N)=O ZINC001086204118 686393198 /nfs/dbraw/zinc/39/31/98/686393198.db2.gz DTNJFMQWCIFGFM-NNYUYHANSA-N 1 0 335.412 -1.016 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1)C(N)=O ZINC001086204119 686393004 /nfs/dbraw/zinc/39/30/04/686393004.db2.gz DTNJFMQWCIFGFM-WYUUTHIRSA-N 1 0 335.412 -1.016 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCc2nnnn2CC1 ZINC001086204552 686392977 /nfs/dbraw/zinc/39/29/77/686392977.db2.gz YONMNJUMNQDYKY-FVCCEPFGSA-N 1 0 347.423 -1.002 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCc2nnnn2CC1 ZINC001086204553 686393155 /nfs/dbraw/zinc/39/31/55/686393155.db2.gz YONMNJUMNQDYKY-NDBYEHHHSA-N 1 0 347.423 -1.002 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCc2nnnn2CC1 ZINC001086204554 686393591 /nfs/dbraw/zinc/39/35/91/686393591.db2.gz YONMNJUMNQDYKY-RVMXOQNASA-N 1 0 347.423 -1.002 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCc2nnnn2CC1 ZINC001086204555 686393072 /nfs/dbraw/zinc/39/30/72/686393072.db2.gz YONMNJUMNQDYKY-WUHRBBMRSA-N 1 0 347.423 -1.002 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccnnc2)C1)N1CCNC(=O)C1 ZINC001086209253 686393113 /nfs/dbraw/zinc/39/31/13/686393113.db2.gz ZUSHFGPIYMLNNX-BJHJDKERSA-N 1 0 346.391 -1.467 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)N1CCC1 ZINC001086212048 686393448 /nfs/dbraw/zinc/39/34/48/686393448.db2.gz ABRDKPJKFOKHLO-AXFHLTTASA-N 1 0 337.380 -1.699 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086212101 686393186 /nfs/dbraw/zinc/39/31/86/686393186.db2.gz BRDKKDGYRQMKFA-NGZCFLSTSA-N 1 0 335.368 -1.602 20 0 EAADRO CCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086212145 686393094 /nfs/dbraw/zinc/39/30/94/686393094.db2.gz CNLJETSDCCAZHV-AXFHLTTASA-N 1 0 349.395 -1.120 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086212335 686393456 /nfs/dbraw/zinc/39/34/56/686393456.db2.gz JNROAQNJGKDUFU-UMNHJUIQSA-N 1 0 349.395 -1.120 20 0 EAADRO CCn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001086212389 686393420 /nfs/dbraw/zinc/39/34/20/686393420.db2.gz LJRFNPNFFLLKEB-UMNHJUIQSA-N 1 0 349.395 -1.120 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001086212393 686393353 /nfs/dbraw/zinc/39/33/53/686393353.db2.gz LOWISRWOCMSROT-NGZCFLSTSA-N 1 0 335.368 -1.602 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086212415 686393605 /nfs/dbraw/zinc/39/36/05/686393605.db2.gz MIMMNJSMCULBAB-AEJSXWLSSA-N 1 0 335.368 -1.602 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086212626 686393138 /nfs/dbraw/zinc/39/31/38/686393138.db2.gz UIUZUOIAIAYEOD-AEJSXWLSSA-N 1 0 335.368 -1.602 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)c1nncn1C ZINC001086212824 686393105 /nfs/dbraw/zinc/39/31/05/686393105.db2.gz AFYPEUWHQBWKAD-MMWGEVLESA-N 1 0 349.395 -1.041 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)c1nncn1C ZINC001086212825 686393059 /nfs/dbraw/zinc/39/30/59/686393059.db2.gz AFYPEUWHQBWKAD-ZNSHCXBVSA-N 1 0 349.395 -1.041 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001086212827 686393392 /nfs/dbraw/zinc/39/33/92/686393392.db2.gz AIYXHQAVXACZPM-NGZCFLSTSA-N 1 0 335.368 -1.602 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086212864 686393333 /nfs/dbraw/zinc/39/33/33/686393333.db2.gz COUMOUHTRGWQGR-AXFHLTTASA-N 1 0 335.368 -1.639 20 0 EAADRO CCn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001086212960 686393079 /nfs/dbraw/zinc/39/30/79/686393079.db2.gz HLIWTPIRIFPZHP-UMNHJUIQSA-N 1 0 349.395 -1.120 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086212995 686393498 /nfs/dbraw/zinc/39/34/98/686393498.db2.gz IQXBCPFJVKCTSU-TUAOUCFPSA-N 1 0 334.380 -1.034 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086213093 686393514 /nfs/dbraw/zinc/39/35/14/686393514.db2.gz MSDMEPYWKLCIJT-VLEAKVRGSA-N 1 0 337.380 -1.653 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086213094 686393465 /nfs/dbraw/zinc/39/34/65/686393465.db2.gz MSDMEPYWKLCIJT-YTWAJWBKSA-N 1 0 337.380 -1.653 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001086213147 686393271 /nfs/dbraw/zinc/39/32/71/686393271.db2.gz PLGXLTLJVJMPJM-JXUBOQSCSA-N 1 0 325.369 -1.667 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001086213148 686393300 /nfs/dbraw/zinc/39/33/00/686393300.db2.gz PLGXLTLJVJMPJM-RGOKHQFPSA-N 1 0 325.369 -1.667 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001086213278 686393570 /nfs/dbraw/zinc/39/35/70/686393570.db2.gz VTDQVYRZYOGDCQ-VLEAKVRGSA-N 1 0 337.380 -1.700 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001086213279 686393434 /nfs/dbraw/zinc/39/34/34/686393434.db2.gz VTDQVYRZYOGDCQ-YTWAJWBKSA-N 1 0 337.380 -1.700 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)[nH]1 ZINC001086213307 686393522 /nfs/dbraw/zinc/39/35/22/686393522.db2.gz XFUGBWOPANBZFO-AEJSXWLSSA-N 1 0 335.368 -1.304 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(N)=O ZINC001086213895 686393132 /nfs/dbraw/zinc/39/31/32/686393132.db2.gz AWVNMVYZOJBOLX-BBBLOLIVSA-N 1 0 337.380 -1.944 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(N)=O ZINC001086213896 686393161 /nfs/dbraw/zinc/39/31/61/686393161.db2.gz AWVNMVYZOJBOLX-LPEHRKFASA-N 1 0 337.380 -1.944 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001086214327 686393126 /nfs/dbraw/zinc/39/31/26/686393126.db2.gz RNJJREPEBZRPQX-JFGNBEQYSA-N 1 0 349.391 -1.930 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)c(=O)n(C)c1=O ZINC001086214328 686393247 /nfs/dbraw/zinc/39/32/47/686393247.db2.gz RNJJREPEBZRPQX-UMNHJUIQSA-N 1 0 349.391 -1.930 20 0 EAADRO Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001086220011 686393595 /nfs/dbraw/zinc/39/35/95/686393595.db2.gz DULBEEMORLTSJD-TXEJJXNPSA-N 1 0 348.407 -1.225 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CC2(C1)NC(=O)NC2=O ZINC001086222950 686393010 /nfs/dbraw/zinc/39/30/10/686393010.db2.gz PYWDWOBSDUEZLS-MQMSLAQXSA-N 1 0 349.391 -1.653 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CC2(C1)NC(=O)NC2=O ZINC001086222951 686393559 /nfs/dbraw/zinc/39/35/59/686393559.db2.gz PYWDWOBSDUEZLS-UEHVTRAPSA-N 1 0 349.391 -1.653 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1)C(N)=O ZINC001086222971 686393149 /nfs/dbraw/zinc/39/31/49/686393149.db2.gz QUNIOOHIYJJDML-LCTXSCRTSA-N 1 0 337.380 -1.667 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1)C(N)=O ZINC001086222972 686393443 /nfs/dbraw/zinc/39/34/43/686393443.db2.gz QUNIOOHIYJJDML-MBYCGOQFSA-N 1 0 337.380 -1.667 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223506 686393841 /nfs/dbraw/zinc/39/38/41/686393841.db2.gz SMZFPUFETGSWKV-CHWFTXMASA-N 1 0 332.426 -1.622 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223507 686394421 /nfs/dbraw/zinc/39/44/21/686394421.db2.gz SMZFPUFETGSWKV-MMWGEVLESA-N 1 0 332.426 -1.622 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223508 686394496 /nfs/dbraw/zinc/39/44/96/686394496.db2.gz SMZFPUFETGSWKV-UKKRHICBSA-N 1 0 332.426 -1.622 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223509 686394156 /nfs/dbraw/zinc/39/41/56/686394156.db2.gz SMZFPUFETGSWKV-ZNSHCXBVSA-N 1 0 332.426 -1.622 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)S1(=O)=O ZINC001086223566 686393053 /nfs/dbraw/zinc/39/30/53/686393053.db2.gz WHCWXCZICHIEFQ-KXNHARMFSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)S1(=O)=O ZINC001086223567 686393347 /nfs/dbraw/zinc/39/33/47/686393347.db2.gz WHCWXCZICHIEFQ-USZNOCQGSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)S1(=O)=O ZINC001086223568 686393474 /nfs/dbraw/zinc/39/34/74/686393474.db2.gz WHCWXCZICHIEFQ-WHOHXGKFSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)S1(=O)=O ZINC001086223569 686393266 /nfs/dbraw/zinc/39/32/66/686393266.db2.gz WHCWXCZICHIEFQ-WRWGMCAJSA-N 1 0 344.437 -1.607 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223731 686393508 /nfs/dbraw/zinc/39/35/08/686393508.db2.gz GITBKBPPKNMZFC-KXNHARMFSA-N 1 0 346.453 -1.231 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223732 686393162 /nfs/dbraw/zinc/39/31/62/686393162.db2.gz GITBKBPPKNMZFC-USZNOCQGSA-N 1 0 346.453 -1.231 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223733 686394449 /nfs/dbraw/zinc/39/44/49/686394449.db2.gz GITBKBPPKNMZFC-WHOHXGKFSA-N 1 0 346.453 -1.231 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1)C(N)=O ZINC001086223734 686394048 /nfs/dbraw/zinc/39/40/48/686394048.db2.gz GITBKBPPKNMZFC-WRWGMCAJSA-N 1 0 346.453 -1.231 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)C1CC(=O)NC(=O)C1 ZINC001086224262 686394149 /nfs/dbraw/zinc/39/41/49/686394149.db2.gz HJIUXYATDUJAOP-KLPPZKSPSA-N 1 0 334.380 -1.185 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001086224300 686393992 /nfs/dbraw/zinc/39/39/92/686393992.db2.gz IUZVPGLUBCPRHT-JGZJWPJOSA-N 1 0 334.380 -1.148 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001086224326 686393746 /nfs/dbraw/zinc/39/37/46/686393746.db2.gz JVAHCMVXHIFDQA-PHIMTYICSA-N 1 0 349.395 -2.129 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001086224386 686394298 /nfs/dbraw/zinc/39/42/98/686394298.db2.gz MRRLVKGHODCTDB-ADEWGFFLSA-N 1 0 336.392 -1.246 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001086224387 686393705 /nfs/dbraw/zinc/39/37/05/686393705.db2.gz MRRLVKGHODCTDB-WCQGTBRESA-N 1 0 336.392 -1.246 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001086224553 686394503 /nfs/dbraw/zinc/39/45/03/686394503.db2.gz WHNYZSXMDKKWGU-ATZCPNFKSA-N 1 0 349.395 -1.192 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001086224554 686393979 /nfs/dbraw/zinc/39/39/79/686393979.db2.gz WHNYZSXMDKKWGU-KKZNHRDASA-N 1 0 349.395 -1.192 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)n1 ZINC001086224566 686394054 /nfs/dbraw/zinc/39/40/54/686394054.db2.gz WWKLJLYFHYDCEZ-TXEJJXNPSA-N 1 0 336.396 -1.228 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001086224620 686393759 /nfs/dbraw/zinc/39/37/59/686393759.db2.gz ACRXDDRFNWNCIV-ADEWGFFLSA-N 1 0 336.392 -1.198 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001086224621 686394109 /nfs/dbraw/zinc/39/41/09/686394109.db2.gz ACRXDDRFNWNCIV-WCQGTBRESA-N 1 0 336.392 -1.198 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001086224734 686393693 /nfs/dbraw/zinc/39/36/93/686393693.db2.gz GXHCSPFXGBEDOJ-JGZJWPJOSA-N 1 0 334.380 -1.148 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001086224766 686394017 /nfs/dbraw/zinc/39/40/17/686394017.db2.gz JEAONNYVUJPNPW-JGZJWPJOSA-N 1 0 334.380 -1.148 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001086224855 686394320 /nfs/dbraw/zinc/39/43/20/686394320.db2.gz OLCKIIVXAUEMAV-JGZJWPJOSA-N 1 0 334.380 -1.148 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001086224912 686394384 /nfs/dbraw/zinc/39/43/84/686394384.db2.gz QZJQGOBTRQQCSX-KLPPZKSPSA-N 1 0 336.392 -1.244 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001086225039 686394134 /nfs/dbraw/zinc/39/41/34/686394134.db2.gz ZAEVVANPRBCKLE-JGZJWPJOSA-N 1 0 334.380 -1.148 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001086225445 686393713 /nfs/dbraw/zinc/39/37/13/686393713.db2.gz VCGLEOLYLVBOCJ-AOOOYVTPSA-N 1 0 335.368 -1.535 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NC[C@H]3C[C@@H]([NH2+]CC(N)=O)C3)cn2n1 ZINC001086226064 686394413 /nfs/dbraw/zinc/39/44/13/686394413.db2.gz ZFSQPXHTXTXMBK-AOOOYVTPSA-N 1 0 332.364 -1.086 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccncn2)C1)N1CCNC(=O)C1 ZINC001086227643 686394120 /nfs/dbraw/zinc/39/41/20/686394120.db2.gz XUWZYDVLSWJVIY-TXEJJXNPSA-N 1 0 346.391 -1.467 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)c1nnc[nH]1 ZINC001086228120 686394251 /nfs/dbraw/zinc/39/42/51/686394251.db2.gz WODXMIWYZKGZBI-PHIMTYICSA-N 1 0 342.425 -1.062 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2nnc[nH]2)C1)N1CCNC(=O)C1 ZINC001086228485 686393727 /nfs/dbraw/zinc/39/37/27/686393727.db2.gz PVAZMRVHPAPYCL-AOOOYVTPSA-N 1 0 335.368 -2.139 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3nnc[nH]3)C2)n(C)c1=O ZINC001086228490 686393781 /nfs/dbraw/zinc/39/37/81/686393781.db2.gz QAVGFWCALJQWDT-AOOOYVTPSA-N 1 0 347.379 -1.500 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2ncccn2)C1)N1CCNC(=O)C1 ZINC001086229661 686394397 /nfs/dbraw/zinc/39/43/97/686394397.db2.gz XWQJIGLQWIVVTQ-TXEJJXNPSA-N 1 0 346.391 -1.467 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnon2)C1)N1CCNC(=O)C1 ZINC001086229751 686394369 /nfs/dbraw/zinc/39/43/69/686394369.db2.gz CBLNLBSSDIHTDG-AOOOYVTPSA-N 1 0 336.352 -1.874 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cnon3)C2)n(C)c1=O ZINC001086230143 686394070 /nfs/dbraw/zinc/39/40/70/686394070.db2.gz VMAWNVJJFAZBLZ-AOOOYVTPSA-N 1 0 348.363 -1.235 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2cccnn2)C1)N1CCNC(=O)C1 ZINC001086230584 686394345 /nfs/dbraw/zinc/39/43/45/686394345.db2.gz RJUUETDJMVFFST-TXEJJXNPSA-N 1 0 346.391 -1.467 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)C2)nc1=O ZINC001086234943 686393904 /nfs/dbraw/zinc/39/39/04/686393904.db2.gz RSCLDBRYYHWHOX-WAAGHKOSSA-N 1 0 347.379 -1.166 20 0 EAADRO CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001086236925 686394085 /nfs/dbraw/zinc/39/40/85/686394085.db2.gz JALUQFSMZGTNJQ-PHIMTYICSA-N 1 0 349.395 -1.052 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001086238000 686394524 /nfs/dbraw/zinc/39/45/24/686394524.db2.gz YMPFUEVNRVSZDL-SDDRHHMPSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001086238001 686394362 /nfs/dbraw/zinc/39/43/62/686394362.db2.gz YMPFUEVNRVSZDL-UTUOFQBUSA-N 1 0 336.396 -1.102 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086252180 686394098 /nfs/dbraw/zinc/39/40/98/686394098.db2.gz CSSVENBZEJTEQN-KNVOCYPGSA-N 1 0 325.325 -1.520 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086252679 686394208 /nfs/dbraw/zinc/39/42/08/686394208.db2.gz WQGLJFYDTUFYJC-BIIVOSGPSA-N 1 0 339.352 -1.132 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086252680 686394331 /nfs/dbraw/zinc/39/43/31/686394331.db2.gz WQGLJFYDTUFYJC-PRJMDXOYSA-N 1 0 339.352 -1.132 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001086252814 686393929 /nfs/dbraw/zinc/39/39/29/686393929.db2.gz BNMGRUFWZLNZNO-AEJSXWLSSA-N 1 0 345.363 -1.596 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001086252815 686393955 /nfs/dbraw/zinc/39/39/55/686393955.db2.gz BNMGRUFWZLNZNO-KXUCPTDWSA-N 1 0 345.363 -1.596 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086253037 686394471 /nfs/dbraw/zinc/39/44/71/686394471.db2.gz NCOSYHBCLFCKCO-HLTSFMKQSA-N 1 0 333.352 -1.611 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086253038 686393669 /nfs/dbraw/zinc/39/36/69/686393669.db2.gz NCOSYHBCLFCKCO-XHNCKOQMSA-N 1 0 333.352 -1.611 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086253286 686394483 /nfs/dbraw/zinc/39/44/83/686394483.db2.gz ZOTGKYSRWUNMKV-AEJSXWLSSA-N 1 0 347.379 -1.221 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086253287 686394513 /nfs/dbraw/zinc/39/45/13/686394513.db2.gz ZOTGKYSRWUNMKV-KXUCPTDWSA-N 1 0 347.379 -1.221 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCOCC1 ZINC001086256869 686394091 /nfs/dbraw/zinc/39/40/91/686394091.db2.gz XNLGVTDIJZRASQ-XQQFMLRXSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001086257099 686394007 /nfs/dbraw/zinc/39/40/07/686394007.db2.gz KIKVXRMPIWJTSS-AXFHLTTASA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001086257261 686394164 /nfs/dbraw/zinc/39/41/64/686394164.db2.gz SKCPZVWJDLWWAL-TUAOUCFPSA-N 1 0 336.392 -1.102 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086264993 686393806 /nfs/dbraw/zinc/39/38/06/686393806.db2.gz KBRORVSYRKZFCX-CRWXNKLISA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086264994 686394030 /nfs/dbraw/zinc/39/40/30/686394030.db2.gz KBRORVSYRKZFCX-RFQIPJPRSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086264995 686394063 /nfs/dbraw/zinc/39/40/63/686394063.db2.gz KBRORVSYRKZFCX-RQJABVFESA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086264996 686394312 /nfs/dbraw/zinc/39/43/12/686394312.db2.gz KBRORVSYRKZFCX-XJFOESAGSA-N 1 0 340.424 -1.018 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086265036 686393972 /nfs/dbraw/zinc/39/39/72/686393972.db2.gz MRGCXMQGOYZGMW-CRWXNKLISA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086265037 686393897 /nfs/dbraw/zinc/39/38/97/686393897.db2.gz MRGCXMQGOYZGMW-RFQIPJPRSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086265038 686394306 /nfs/dbraw/zinc/39/43/06/686394306.db2.gz MRGCXMQGOYZGMW-RQJABVFESA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086265039 686394078 /nfs/dbraw/zinc/39/40/78/686394078.db2.gz MRGCXMQGOYZGMW-XJFOESAGSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086265172 686393966 /nfs/dbraw/zinc/39/39/66/686393966.db2.gz SNBIXLHYMZKHBT-FOUMNBMASA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086265173 686395348 /nfs/dbraw/zinc/39/53/48/686395348.db2.gz SNBIXLHYMZKHBT-FTYKPCCVSA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086265174 686394926 /nfs/dbraw/zinc/39/49/26/686394926.db2.gz SNBIXLHYMZKHBT-SYEHKZFSSA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086265175 686394640 /nfs/dbraw/zinc/39/46/40/686394640.db2.gz SNBIXLHYMZKHBT-XEZLXBQYSA-N 1 0 326.397 -1.408 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](CNC(=O)c3ccc(=O)n(C)n3)C2)nc1=O ZINC001086267453 686395087 /nfs/dbraw/zinc/39/50/87/686395087.db2.gz GRHQEBFWVXPEER-AOOOYVTPSA-N 1 0 347.379 -1.500 20 0 EAADRO Cn1nc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001086267538 686394917 /nfs/dbraw/zinc/39/49/17/686394917.db2.gz KSTNSKPHIQQPMV-AXFHLTTASA-N 1 0 347.375 -1.317 20 0 EAADRO Cn1nc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001086267539 686394780 /nfs/dbraw/zinc/39/47/80/686394780.db2.gz KSTNSKPHIQQPMV-OUAUKWLOSA-N 1 0 347.375 -1.317 20 0 EAADRO Cn1nc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)ccc1=O ZINC001086267565 686395397 /nfs/dbraw/zinc/39/53/97/686395397.db2.gz LZQREDUABBFXHV-TXEJJXNPSA-N 1 0 348.407 -1.097 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086268427 686394894 /nfs/dbraw/zinc/39/48/94/686394894.db2.gz FCQPFPFQGBXPFB-PHIMTYICSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001086268480 686394810 /nfs/dbraw/zinc/39/48/10/686394810.db2.gz HPLJIODSOCQHCI-AXFHLTTASA-N 1 0 346.391 -1.048 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001086268481 686395134 /nfs/dbraw/zinc/39/51/34/686395134.db2.gz HPLJIODSOCQHCI-OUAUKWLOSA-N 1 0 346.391 -1.048 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086268510 686395080 /nfs/dbraw/zinc/39/50/80/686395080.db2.gz IVCQNZJRJYAJCX-AEJSXWLSSA-N 1 0 332.364 -1.438 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086268511 686394789 /nfs/dbraw/zinc/39/47/89/686394789.db2.gz IVCQNZJRJYAJCX-KXUCPTDWSA-N 1 0 332.364 -1.438 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2nccnc2C(N)=O)C1)C(N)=O ZINC001086268561 686395211 /nfs/dbraw/zinc/39/52/11/686395211.db2.gz LGBIMMMZZLZPHH-AEJSXWLSSA-N 1 0 334.380 -1.063 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2nccnc2C(N)=O)C1)C(N)=O ZINC001086268562 686395220 /nfs/dbraw/zinc/39/52/20/686395220.db2.gz LGBIMMMZZLZPHH-KXUCPTDWSA-N 1 0 334.380 -1.063 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001086268565 686394651 /nfs/dbraw/zinc/39/46/51/686394651.db2.gz LJPGKCSVAXHVHS-PHIMTYICSA-N 1 0 344.379 -1.035 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001086268798 686395052 /nfs/dbraw/zinc/39/50/52/686395052.db2.gz YJURDUAVBFHIFG-AXFHLTTASA-N 1 0 346.391 -1.096 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001086268799 686394704 /nfs/dbraw/zinc/39/47/04/686394704.db2.gz YJURDUAVBFHIFG-OUAUKWLOSA-N 1 0 346.391 -1.096 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)c(=O)[nH]c1=O ZINC001086269979 686394824 /nfs/dbraw/zinc/39/48/24/686394824.db2.gz HOXMQDBGGNWGFJ-PHIMTYICSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086270182 686395026 /nfs/dbraw/zinc/39/50/26/686395026.db2.gz SJDJPECIGZAPEU-AOOOYVTPSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC001086270351 686395039 /nfs/dbraw/zinc/39/50/39/686395039.db2.gz AXMLBFHPGFGSOX-JFGNBEQYSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC001086270352 686395060 /nfs/dbraw/zinc/39/50/60/686395060.db2.gz AXMLBFHPGFGSOX-UMNHJUIQSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001086270425 686395387 /nfs/dbraw/zinc/39/53/87/686395387.db2.gz FEIJUBWQPVRSGW-NGZCFLSTSA-N 1 0 335.364 -1.528 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001086270426 686394992 /nfs/dbraw/zinc/39/49/92/686394992.db2.gz FEIJUBWQPVRSGW-WCABBAIRSA-N 1 0 335.364 -1.528 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC001086270468 686395160 /nfs/dbraw/zinc/39/51/60/686395160.db2.gz GSEKYDBHJVGWNC-JFGNBEQYSA-N 1 0 349.391 -1.185 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1=O ZINC001086270469 686394711 /nfs/dbraw/zinc/39/47/11/686394711.db2.gz GSEKYDBHJVGWNC-UMNHJUIQSA-N 1 0 349.391 -1.185 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086270512 686395067 /nfs/dbraw/zinc/39/50/67/686395067.db2.gz IFBVJZWCXSTIKT-AOOOYVTPSA-N 1 0 347.379 -1.087 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(N)=O ZINC001086270661 686395236 /nfs/dbraw/zinc/39/52/36/686395236.db2.gz OCNDAPQCGUZACS-NGZCFLSTSA-N 1 0 337.380 -1.152 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(N)=O ZINC001086270662 686394675 /nfs/dbraw/zinc/39/46/75/686394675.db2.gz OCNDAPQCGUZACS-WCABBAIRSA-N 1 0 337.380 -1.152 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)c(=O)[nH]c1=O ZINC001086270740 686395109 /nfs/dbraw/zinc/39/51/09/686395109.db2.gz RNMCWCOXMNJKKV-PHIMTYICSA-N 1 0 347.379 -1.124 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)C2)nn1 ZINC001086270742 686394946 /nfs/dbraw/zinc/39/49/46/686394946.db2.gz RQBBQDUYEATSNE-AOOOYVTPSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)C2)n1 ZINC001086270915 686395335 /nfs/dbraw/zinc/39/53/35/686395335.db2.gz YYRBJVRVLXDFAW-AOOOYVTPSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086270932 686394681 /nfs/dbraw/zinc/39/46/81/686394681.db2.gz ZLQSWMVQQHCBKP-AOOOYVTPSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001086272713 686394849 /nfs/dbraw/zinc/39/48/49/686394849.db2.gz WQZJITGATIRYLF-TXEJJXNPSA-N 1 0 348.407 -1.524 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC001086273042 686394732 /nfs/dbraw/zinc/39/47/32/686394732.db2.gz NNEPTWPYJFSKCW-WAAGHKOSSA-N 1 0 347.379 -1.166 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001086274705 686394771 /nfs/dbraw/zinc/39/47/71/686394771.db2.gz UPLBYYVVBJNFHY-KXNHARMFSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001086274706 686395168 /nfs/dbraw/zinc/39/51/68/686395168.db2.gz UPLBYYVVBJNFHY-USZNOCQGSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001086274707 686394907 /nfs/dbraw/zinc/39/49/07/686394907.db2.gz UPLBYYVVBJNFHY-WHOHXGKFSA-N 1 0 344.437 -1.607 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001086274708 686394999 /nfs/dbraw/zinc/39/49/99/686394999.db2.gz UPLBYYVVBJNFHY-WRWGMCAJSA-N 1 0 344.437 -1.607 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086274828 686395105 /nfs/dbraw/zinc/39/51/05/686395105.db2.gz ANMXPAWZEAEFSC-LMLFDSFASA-N 1 0 330.410 -1.949 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086274829 686394963 /nfs/dbraw/zinc/39/49/63/686394963.db2.gz ANMXPAWZEAEFSC-VLEAKVRGSA-N 1 0 330.410 -1.949 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086274830 686395006 /nfs/dbraw/zinc/39/50/06/686395006.db2.gz ANMXPAWZEAEFSC-YTWAJWBKSA-N 1 0 330.410 -1.949 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086274831 686394987 /nfs/dbraw/zinc/39/49/87/686394987.db2.gz ANMXPAWZEAEFSC-ZRUFSTJUSA-N 1 0 330.410 -1.949 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1)C(N)=O ZINC001086274870 686394970 /nfs/dbraw/zinc/39/49/70/686394970.db2.gz CGHICRNHVUVGOJ-LMLFDSFASA-N 1 0 332.426 -1.574 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1)C(N)=O ZINC001086274871 686395228 /nfs/dbraw/zinc/39/52/28/686395228.db2.gz CGHICRNHVUVGOJ-VLEAKVRGSA-N 1 0 332.426 -1.574 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1)C(N)=O ZINC001086274872 686394802 /nfs/dbraw/zinc/39/48/02/686394802.db2.gz CGHICRNHVUVGOJ-YTWAJWBKSA-N 1 0 332.426 -1.574 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1)C(N)=O ZINC001086274873 686394901 /nfs/dbraw/zinc/39/49/01/686394901.db2.gz CGHICRNHVUVGOJ-ZRUFSTJUSA-N 1 0 332.426 -1.574 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001086274879 686395176 /nfs/dbraw/zinc/39/51/76/686395176.db2.gz CMZVXUUQNIUSNC-AXFHLTTASA-N 1 0 342.425 -1.211 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)[nH]1 ZINC001086274880 686394975 /nfs/dbraw/zinc/39/49/75/686394975.db2.gz CMZVXUUQNIUSNC-OUAUKWLOSA-N 1 0 342.425 -1.211 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1)N1CCC1 ZINC001086274925 686395279 /nfs/dbraw/zinc/39/52/79/686395279.db2.gz FJTXUIBTOIHKMZ-GRYCIOLGSA-N 1 0 344.437 -1.605 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1)N1CCC1 ZINC001086274926 686395046 /nfs/dbraw/zinc/39/50/46/686395046.db2.gz FJTXUIBTOIHKMZ-TUAOUCFPSA-N 1 0 344.437 -1.605 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001086274951 686395146 /nfs/dbraw/zinc/39/51/46/686395146.db2.gz GJQNJDXNKMUNAH-JFGNBEQYSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001086274952 686394754 /nfs/dbraw/zinc/39/47/54/686394754.db2.gz GJQNJDXNKMUNAH-UMNHJUIQSA-N 1 0 342.425 -1.509 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086274989 686395117 /nfs/dbraw/zinc/39/51/17/686395117.db2.gz HRCKLALQOGLJTI-KXNHARMFSA-N 1 0 344.437 -1.559 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086274990 686394697 /nfs/dbraw/zinc/39/46/97/686394697.db2.gz HRCKLALQOGLJTI-USZNOCQGSA-N 1 0 344.437 -1.559 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086274991 686394887 /nfs/dbraw/zinc/39/48/87/686394887.db2.gz HRCKLALQOGLJTI-WHOHXGKFSA-N 1 0 344.437 -1.559 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086274992 686394816 /nfs/dbraw/zinc/39/48/16/686394816.db2.gz HRCKLALQOGLJTI-WRWGMCAJSA-N 1 0 344.437 -1.559 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086275031 686396073 /nfs/dbraw/zinc/39/60/73/686396073.db2.gz JKFMZBZCLLSFDA-AXFHLTTASA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086275032 686395952 /nfs/dbraw/zinc/39/59/52/686395952.db2.gz JKFMZBZCLLSFDA-OUAUKWLOSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001086275095 686396220 /nfs/dbraw/zinc/39/62/20/686396220.db2.gz LRHFKWKWHNYOIP-JFGNBEQYSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001086275096 686395641 /nfs/dbraw/zinc/39/56/41/686395641.db2.gz LRHFKWKWHNYOIP-UMNHJUIQSA-N 1 0 342.425 -1.509 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086275181 686396179 /nfs/dbraw/zinc/39/61/79/686396179.db2.gz PAWBJTJGXZDBNK-GRYCIOLGSA-N 1 0 342.425 -1.546 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086275182 686396248 /nfs/dbraw/zinc/39/62/48/686396248.db2.gz PAWBJTJGXZDBNK-TUAOUCFPSA-N 1 0 342.425 -1.546 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086275306 686395931 /nfs/dbraw/zinc/39/59/31/686395931.db2.gz VLXZWZXPJCXVGL-AXFHLTTASA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086275307 686396187 /nfs/dbraw/zinc/39/61/87/686396187.db2.gz VLXZWZXPJCXVGL-OUAUKWLOSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086275372 686395666 /nfs/dbraw/zinc/39/56/66/686395666.db2.gz YLJQYSJOWXELFJ-JFGNBEQYSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086275373 686395538 /nfs/dbraw/zinc/39/55/38/686395538.db2.gz YLJQYSJOWXELFJ-UMNHJUIQSA-N 1 0 342.425 -1.509 20 0 EAADRO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCCS1(=O)=O ZINC001086275478 686395995 /nfs/dbraw/zinc/39/59/95/686395995.db2.gz DCNQHLDLPOYWRG-KXNHARMFSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCCS1(=O)=O ZINC001086275479 686396060 /nfs/dbraw/zinc/39/60/60/686396060.db2.gz DCNQHLDLPOYWRG-USZNOCQGSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCCS1(=O)=O ZINC001086275480 686395703 /nfs/dbraw/zinc/39/57/03/686395703.db2.gz DCNQHLDLPOYWRG-WHOHXGKFSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCCS1(=O)=O ZINC001086275481 686396154 /nfs/dbraw/zinc/39/61/54/686396154.db2.gz DCNQHLDLPOYWRG-WRWGMCAJSA-N 1 0 329.422 -1.064 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086275759 686395888 /nfs/dbraw/zinc/39/58/88/686395888.db2.gz OOCGOKSPIJQKQM-CRWXNKLISA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086275760 686395609 /nfs/dbraw/zinc/39/56/09/686395609.db2.gz OOCGOKSPIJQKQM-RFQIPJPRSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086275761 686395529 /nfs/dbraw/zinc/39/55/29/686395529.db2.gz OOCGOKSPIJQKQM-RQJABVFESA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086275762 686396238 /nfs/dbraw/zinc/39/62/38/686396238.db2.gz OOCGOKSPIJQKQM-XJFOESAGSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086275807 686395926 /nfs/dbraw/zinc/39/59/26/686395926.db2.gz PXCNIHDPUVBOMX-FOUMNBMASA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086275808 686395628 /nfs/dbraw/zinc/39/56/28/686395628.db2.gz PXCNIHDPUVBOMX-FTYKPCCVSA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086275809 686395492 /nfs/dbraw/zinc/39/54/92/686395492.db2.gz PXCNIHDPUVBOMX-SYEHKZFSSA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086275810 686395844 /nfs/dbraw/zinc/39/58/44/686395844.db2.gz PXCNIHDPUVBOMX-XEZLXBQYSA-N 1 0 326.397 -1.408 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086275832 686396104 /nfs/dbraw/zinc/39/61/04/686396104.db2.gz QSLWDEPZMBQPAU-CRWXNKLISA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086275833 686396128 /nfs/dbraw/zinc/39/61/28/686396128.db2.gz QSLWDEPZMBQPAU-RFQIPJPRSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086275834 686396170 /nfs/dbraw/zinc/39/61/70/686396170.db2.gz QSLWDEPZMBQPAU-RQJABVFESA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086275835 686395760 /nfs/dbraw/zinc/39/57/60/686395760.db2.gz QSLWDEPZMBQPAU-XJFOESAGSA-N 1 0 340.424 -1.018 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086278541 686395895 /nfs/dbraw/zinc/39/58/95/686395895.db2.gz ASNLESAYJUQOLU-AOOOYVTPSA-N 1 0 347.383 -1.810 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001086278550 686395921 /nfs/dbraw/zinc/39/59/21/686395921.db2.gz BGHXNTZWLMAZSI-AEJSXWLSSA-N 1 0 337.384 -1.875 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001086278551 686395915 /nfs/dbraw/zinc/39/59/15/686395915.db2.gz BGHXNTZWLMAZSI-KXUCPTDWSA-N 1 0 337.384 -1.875 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001086278553 686395746 /nfs/dbraw/zinc/39/57/46/686395746.db2.gz BOKCFECDUZEKOE-AOOOYVTPSA-N 1 0 347.383 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC001086278599 686395971 /nfs/dbraw/zinc/39/59/71/686395971.db2.gz DPAZAODAMHZYKU-SDDRHHMPSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)nn1 ZINC001086278600 686395569 /nfs/dbraw/zinc/39/55/69/686395569.db2.gz DPAZAODAMHZYKU-UTUOFQBUSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)nn1 ZINC001086278613 686395632 /nfs/dbraw/zinc/39/56/32/686395632.db2.gz FQFZHPPXQRNEIV-PHIMTYICSA-N 1 0 347.383 -1.847 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001086278615 686395594 /nfs/dbraw/zinc/39/55/94/686395594.db2.gz FUNFYVTTXWYRRY-KLPPZKSPSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086278618 686395874 /nfs/dbraw/zinc/39/58/74/686395874.db2.gz FVOUIUBMPFDIFT-AOOOYVTPSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086278705 686395556 /nfs/dbraw/zinc/39/55/56/686395556.db2.gz KNSJTHCZNIVLAM-PHIMTYICSA-N 1 0 346.395 -1.205 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001086278736 686395908 /nfs/dbraw/zinc/39/59/08/686395908.db2.gz LTWKRBSJJARZSG-AXFHLTTASA-N 1 0 349.395 -1.908 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001086278737 686395767 /nfs/dbraw/zinc/39/57/67/686395767.db2.gz LTWKRBSJJARZSG-OUAUKWLOSA-N 1 0 349.395 -1.908 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)nn1 ZINC001086278770 686395791 /nfs/dbraw/zinc/39/57/91/686395791.db2.gz NJJRWMYJZMTDPX-AOOOYVTPSA-N 1 0 337.384 -2.050 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)nn1 ZINC001086278802 686395989 /nfs/dbraw/zinc/39/59/89/686395989.db2.gz PCTUCYLXNKLUQL-TXEJJXNPSA-N 1 0 346.395 -1.242 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001086278803 686396044 /nfs/dbraw/zinc/39/60/44/686396044.db2.gz PHAYGPMZAKYNON-AOOOYVTPSA-N 1 0 347.383 -1.810 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001086278805 686396112 /nfs/dbraw/zinc/39/61/12/686396112.db2.gz PKPLYZQJDZHQQB-AOOOYVTPSA-N 1 0 347.383 -1.512 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001086278809 686395520 /nfs/dbraw/zinc/39/55/20/686395520.db2.gz PNXRTEZLKBAHHY-SDDRHHMPSA-N 1 0 338.412 -1.155 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001086278810 686395685 /nfs/dbraw/zinc/39/56/85/686395685.db2.gz PNXRTEZLKBAHHY-UTUOFQBUSA-N 1 0 338.412 -1.155 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086278844 686395863 /nfs/dbraw/zinc/39/58/63/686395863.db2.gz RHGJDJOODVLSLU-PHIMTYICSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1ccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086278845 686395944 /nfs/dbraw/zinc/39/59/44/686395944.db2.gz RITLRSAILOIUMN-PHIMTYICSA-N 1 0 346.395 -1.205 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001086278863 686396133 /nfs/dbraw/zinc/39/61/33/686396133.db2.gz RZPJSDOQZQAHKJ-PHIMTYICSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001086278909 686395820 /nfs/dbraw/zinc/39/58/20/686395820.db2.gz VMKJIBGYVXZUOQ-AXFHLTTASA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001086278910 686395621 /nfs/dbraw/zinc/39/56/21/686395621.db2.gz VMKJIBGYVXZUOQ-OUAUKWLOSA-N 1 0 349.395 -1.860 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001086278974 686396008 /nfs/dbraw/zinc/39/60/08/686396008.db2.gz YLZJRBIQRLXKSG-KLPPZKSPSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086278978 686395691 /nfs/dbraw/zinc/39/56/91/686395691.db2.gz YQIBWCIGIOQZIB-AOOOYVTPSA-N 1 0 347.383 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001086279001 686396413 /nfs/dbraw/zinc/39/64/13/686396413.db2.gz ZKRXMSLBZFWKKH-AEJSXWLSSA-N 1 0 335.368 -2.250 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001086279002 686396809 /nfs/dbraw/zinc/39/68/09/686396809.db2.gz ZKRXMSLBZFWKKH-KXUCPTDWSA-N 1 0 335.368 -2.250 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC001086279978 686396595 /nfs/dbraw/zinc/39/65/95/686396595.db2.gz IAJMHDNKIDLGCZ-AOOOYVTPSA-N 1 0 349.395 -1.556 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001086280235 686397086 /nfs/dbraw/zinc/39/70/86/686397086.db2.gz QXESYVQHYWRYBF-AXFHLTTASA-N 1 0 349.391 -1.373 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001086280236 686396907 /nfs/dbraw/zinc/39/69/07/686396907.db2.gz QXESYVQHYWRYBF-OUAUKWLOSA-N 1 0 349.391 -1.373 20 0 EAADRO Cc1nc[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001086286588 686396993 /nfs/dbraw/zinc/39/69/93/686396993.db2.gz NDEGVLBYUDFEEM-TXEJJXNPSA-N 1 0 348.407 -1.225 20 0 EAADRO CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001086288110 686396798 /nfs/dbraw/zinc/39/67/98/686396798.db2.gz GMBCYKRUMIRADD-JOCQHMNTSA-N 1 0 346.453 -1.406 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2cnccn2)C1)N1CCNC(=O)C1 ZINC001086297149 686396490 /nfs/dbraw/zinc/39/64/90/686396490.db2.gz RZZYLGFGLLDEEW-HAQNSBGRSA-N 1 0 346.391 -1.467 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1=COCCO1 ZINC001086299977 686396421 /nfs/dbraw/zinc/39/64/21/686396421.db2.gz ADPBWYGDIZZWSU-XYPYZODXSA-N 1 0 338.364 -1.089 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)nc1=O ZINC001086301954 686396456 /nfs/dbraw/zinc/39/64/56/686396456.db2.gz XOZLGTUUHVBZEI-KYZUINATSA-N 1 0 333.352 -1.098 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCO2)C1)N1CCNC(=O)C1 ZINC001086302241 686397007 /nfs/dbraw/zinc/39/70/07/686397007.db2.gz HYTUWBTWVOKDFI-AVGNSLFASA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCO2)C1)N1CCNC(=O)C1 ZINC001086302242 686396666 /nfs/dbraw/zinc/39/66/66/686396666.db2.gz HYTUWBTWVOKDFI-JHJVBQTASA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001086302262 686396721 /nfs/dbraw/zinc/39/67/21/686396721.db2.gz IZTMQQZHUAPQHC-MGCOHNPYSA-N 1 0 348.363 -1.168 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cc[n+]([O-])cc1 ZINC001086302297 686397074 /nfs/dbraw/zinc/39/70/74/686397074.db2.gz JVXNJANCRMAENS-AULYBMBSSA-N 1 0 347.375 -1.030 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)cn1 ZINC001086304675 686396755 /nfs/dbraw/zinc/39/67/55/686396755.db2.gz OLZBSDVAODCTMU-AULYBMBSSA-N 1 0 348.407 -1.524 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2COCCO2)C1)N1CCOCC1 ZINC001086311511 686396380 /nfs/dbraw/zinc/39/63/80/686396380.db2.gz JVUJBNOAZGCOQK-IHRRRGAJSA-N 1 0 341.408 -1.255 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2COCCO2)C1)N1CCOCC1 ZINC001086311512 686396782 /nfs/dbraw/zinc/39/67/82/686396782.db2.gz JVUJBNOAZGCOQK-MGPQQGTHSA-N 1 0 341.408 -1.255 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001086311812 686396950 /nfs/dbraw/zinc/39/69/50/686396950.db2.gz WXDHBWALTXPNAJ-DCAQKATOSA-N 1 0 325.369 -1.492 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3COCCO3)C2)nc1=O ZINC001086311813 686396542 /nfs/dbraw/zinc/39/65/42/686396542.db2.gz WXDHBWALTXPNAJ-GMTAPVOTSA-N 1 0 325.369 -1.492 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1COCCO1 ZINC001086313009 686397021 /nfs/dbraw/zinc/39/70/21/686397021.db2.gz ASSJOBIFYFXLLG-AVGNSLFASA-N 1 0 326.397 -1.089 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1COCCO1 ZINC001086313010 686396475 /nfs/dbraw/zinc/39/64/75/686396475.db2.gz ASSJOBIFYFXLLG-JHJVBQTASA-N 1 0 326.397 -1.089 20 0 EAADRO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1COCCO1 ZINC001086313115 686396877 /nfs/dbraw/zinc/39/68/77/686396877.db2.gz FYFLDZNPKLKCRN-BJDJZHNGSA-N 1 0 325.365 -1.309 20 0 EAADRO O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1COCCO1 ZINC001086313116 686396679 /nfs/dbraw/zinc/39/66/79/686396679.db2.gz FYFLDZNPKLKCRN-DDHJBXDOSA-N 1 0 325.365 -1.309 20 0 EAADRO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H]1COCCO1 ZINC001086313117 686396518 /nfs/dbraw/zinc/39/65/18/686396518.db2.gz FYFLDZNPKLKCRN-FIQHERPVSA-N 1 0 325.365 -1.309 20 0 EAADRO O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1COCCO1 ZINC001086313118 686396871 /nfs/dbraw/zinc/39/68/71/686396871.db2.gz FYFLDZNPKLKCRN-KKOKHZNYSA-N 1 0 325.365 -1.309 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@H]1COCCO1 ZINC001086313665 686396886 /nfs/dbraw/zinc/39/68/86/686396886.db2.gz XXONHRZMELNLCX-IJLUTSLNSA-N 1 0 340.380 -1.562 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1COCCO1 ZINC001086313666 686396652 /nfs/dbraw/zinc/39/66/52/686396652.db2.gz XXONHRZMELNLCX-SRVKXCTJSA-N 1 0 340.380 -1.562 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn[nH]2)C1)N1CCNC(=O)C1 ZINC001086313799 686396640 /nfs/dbraw/zinc/39/66/40/686396640.db2.gz CFXXLHFESLMKJU-XYPYZODXSA-N 1 0 334.380 -1.534 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2ccon2)C1)N1CCNC(=O)C1 ZINC001086315086 686396658 /nfs/dbraw/zinc/39/66/58/686396658.db2.gz YMVJTXSLWSLKFQ-XYPYZODXSA-N 1 0 335.364 -1.269 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2cn[nH]c2)C1)N1CCNC(=O)C1 ZINC001086315553 686396816 /nfs/dbraw/zinc/39/68/16/686396816.db2.gz LXXHHANSRQMJDF-UMSPYCQHSA-N 1 0 334.380 -1.534 20 0 EAADRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)[nH]n1 ZINC001086317664 686396561 /nfs/dbraw/zinc/39/65/61/686396561.db2.gz XLSYTSBJWFKEDD-HAQNSBGRSA-N 1 0 348.407 -1.225 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCOC2)C1)N1CCNC(=O)C1 ZINC001086321384 686397091 /nfs/dbraw/zinc/39/70/91/686397091.db2.gz USHQPVMOJOWFGN-AVGNSLFASA-N 1 0 338.408 -1.534 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCOC2)C1)N1CCNC(=O)C1 ZINC001086321385 686396829 /nfs/dbraw/zinc/39/68/29/686396829.db2.gz USHQPVMOJOWFGN-JHJVBQTASA-N 1 0 338.408 -1.534 20 0 EAADRO Cn1nccc1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001086322426 686396764 /nfs/dbraw/zinc/39/67/64/686396764.db2.gz GQHVAWDJQLQKQK-HAQNSBGRSA-N 1 0 348.407 -1.524 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086324316 686396431 /nfs/dbraw/zinc/39/64/31/686396431.db2.gz WGFOMNWNGDBPQH-DBIOUOCHSA-N 1 0 337.380 -1.098 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086324317 686396575 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/nfs/dbraw/zinc/40/27/62/686402762.db2.gz MRRLVKGHODCTDB-YUSALJHKSA-N 1 0 336.392 -1.246 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001086505260 686403051 /nfs/dbraw/zinc/40/30/51/686403051.db2.gz OLCKIIVXAUEMAV-HOMQSWHASA-N 1 0 334.380 -1.148 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001086505313 686402768 /nfs/dbraw/zinc/40/27/68/686402768.db2.gz QZJQGOBTRQQCSX-UMSPYCQHSA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001086505399 686403039 /nfs/dbraw/zinc/40/30/39/686403039.db2.gz WHNYZSXMDKKWGU-FXPVBKGRSA-N 1 0 349.395 -1.192 20 0 EAADRO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)c1nnnn1C ZINC001086505400 686402640 /nfs/dbraw/zinc/40/26/40/686402640.db2.gz WHNYZSXMDKKWGU-QXEWZRGKSA-N 1 0 349.395 -1.192 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)n1 ZINC001086505416 686402721 /nfs/dbraw/zinc/40/27/21/686402721.db2.gz 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O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2ccncn2)C1)N1CCNC(=O)C1 ZINC001086509066 686404036 /nfs/dbraw/zinc/40/40/36/686404036.db2.gz XUWZYDVLSWJVIY-HAQNSBGRSA-N 1 0 346.391 -1.467 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2cnon2)C1)N1CCNC(=O)C1 ZINC001086509158 686404006 /nfs/dbraw/zinc/40/40/06/686404006.db2.gz CBLNLBSSDIHTDG-MGCOHNPYSA-N 1 0 336.352 -1.874 20 0 EAADRO Cn1c(=O)cc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cnon3)C2)n(C)c1=O ZINC001086509531 686403903 /nfs/dbraw/zinc/40/39/03/686403903.db2.gz VMAWNVJJFAZBLZ-MGCOHNPYSA-N 1 0 348.363 -1.235 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2ncccn2)C1)N1CCNC(=O)C1 ZINC001086510605 686404650 /nfs/dbraw/zinc/40/46/50/686404650.db2.gz XWQJIGLQWIVVTQ-HAQNSBGRSA-N 1 0 346.391 -1.467 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2cccnn2)C1)N1CCNC(=O)C1 ZINC001086511517 686404546 /nfs/dbraw/zinc/40/45/46/686404546.db2.gz RJUUETDJMVFFST-HAQNSBGRSA-N 1 0 346.391 -1.467 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(C(N)=O)c[nH]3)C2)nc1=O ZINC001086516495 686405318 /nfs/dbraw/zinc/40/53/18/686405318.db2.gz RSCLDBRYYHWHOX-CZMCAQCFSA-N 1 0 347.379 -1.166 20 0 EAADRO CCn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001086517353 686405300 /nfs/dbraw/zinc/40/53/00/686405300.db2.gz JALUQFSMZGTNJQ-XYPYZODXSA-N 1 0 349.395 -1.052 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001086517765 686405618 /nfs/dbraw/zinc/40/56/18/686405618.db2.gz YMPFUEVNRVSZDL-IJLUTSLNSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001086517766 686405481 /nfs/dbraw/zinc/40/54/81/686405481.db2.gz YMPFUEVNRVSZDL-SRVKXCTJSA-N 1 0 336.396 -1.102 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086532652 686406431 /nfs/dbraw/zinc/40/64/31/686406431.db2.gz CSSVENBZEJTEQN-LJGSYFOKSA-N 1 0 325.325 -1.520 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086533079 686406414 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/nfs/dbraw/zinc/40/63/30/686406330.db2.gz NCOSYHBCLFCKCO-IWSPIJDZSA-N 1 0 333.352 -1.611 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086533775 686406070 /nfs/dbraw/zinc/40/60/70/686406070.db2.gz ZOTGKYSRWUNMKV-GUBZILKMSA-N 1 0 347.379 -1.221 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086533776 686406380 /nfs/dbraw/zinc/40/63/80/686406380.db2.gz ZOTGKYSRWUNMKV-OPRDCNLKSA-N 1 0 347.379 -1.221 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCOCC1 ZINC001086537267 686406207 /nfs/dbraw/zinc/40/62/07/686406207.db2.gz XNLGVTDIJZRASQ-AVGNSLFASA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001086537505 686406390 /nfs/dbraw/zinc/40/63/90/686406390.db2.gz KIKVXRMPIWJTSS-DCAQKATOSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001086537659 686406121 /nfs/dbraw/zinc/40/61/21/686406121.db2.gz SKCPZVWJDLWWAL-SRVKXCTJSA-N 1 0 336.392 -1.102 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086544910 686406459 /nfs/dbraw/zinc/40/64/59/686406459.db2.gz KBRORVSYRKZFCX-AAVRWANBSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086544911 686406247 /nfs/dbraw/zinc/40/62/47/686406247.db2.gz KBRORVSYRKZFCX-SYQHCUMBSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086544912 686406309 /nfs/dbraw/zinc/40/63/09/686406309.db2.gz KBRORVSYRKZFCX-XDQVBPFNSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1)C(N)=O ZINC001086544913 686406313 /nfs/dbraw/zinc/40/63/13/686406313.db2.gz KBRORVSYRKZFCX-XUXIUFHCSA-N 1 0 340.424 -1.018 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086544964 686406470 /nfs/dbraw/zinc/40/64/70/686406470.db2.gz MRGCXMQGOYZGMW-AAVRWANBSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086544965 686406318 /nfs/dbraw/zinc/40/63/18/686406318.db2.gz MRGCXMQGOYZGMW-SYQHCUMBSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086544966 686406325 /nfs/dbraw/zinc/40/63/25/686406325.db2.gz MRGCXMQGOYZGMW-XDQVBPFNSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086544967 686406378 /nfs/dbraw/zinc/40/63/78/686406378.db2.gz MRGCXMQGOYZGMW-XUXIUFHCSA-N 1 0 338.408 -1.393 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086545071 686406298 /nfs/dbraw/zinc/40/62/98/686406298.db2.gz SNBIXLHYMZKHBT-BQUFFADESA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086545072 686406447 /nfs/dbraw/zinc/40/64/47/686406447.db2.gz SNBIXLHYMZKHBT-JHEVNIALSA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086545073 686406339 /nfs/dbraw/zinc/40/63/39/686406339.db2.gz SNBIXLHYMZKHBT-OJAKKHQRSA-N 1 0 326.397 -1.408 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086545074 686406181 /nfs/dbraw/zinc/40/61/81/686406181.db2.gz SNBIXLHYMZKHBT-XYJRDEOASA-N 1 0 326.397 -1.408 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](CNC(=O)c3ccc(=O)n(C)n3)C2)nc1=O ZINC001086547368 686406105 /nfs/dbraw/zinc/40/61/05/686406105.db2.gz GRHQEBFWVXPEER-MGCOHNPYSA-N 1 0 347.379 -1.500 20 0 EAADRO Cn1nc(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001086547465 686406199 /nfs/dbraw/zinc/40/61/99/686406199.db2.gz KSTNSKPHIQQPMV-DCAQKATOSA-N 1 0 347.375 -1.317 20 0 EAADRO Cn1nc(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)ccc1=O ZINC001086547466 686406129 /nfs/dbraw/zinc/40/61/29/686406129.db2.gz KSTNSKPHIQQPMV-GMTAPVOTSA-N 1 0 347.375 -1.317 20 0 EAADRO 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CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086555609 686406977 /nfs/dbraw/zinc/40/69/77/686406977.db2.gz OOCGOKSPIJQKQM-XUXIUFHCSA-N 1 0 338.408 -1.393 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086555652 686407025 /nfs/dbraw/zinc/40/70/25/686407025.db2.gz QSLWDEPZMBQPAU-AAVRWANBSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086555653 686406932 /nfs/dbraw/zinc/40/69/32/686406932.db2.gz QSLWDEPZMBQPAU-SYQHCUMBSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086555654 686406958 /nfs/dbraw/zinc/40/69/58/686406958.db2.gz QSLWDEPZMBQPAU-XDQVBPFNSA-N 1 0 340.424 -1.018 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1)C(N)=O ZINC001086555655 686406862 /nfs/dbraw/zinc/40/68/62/686406862.db2.gz QSLWDEPZMBQPAU-XUXIUFHCSA-N 1 0 340.424 -1.018 20 0 EAADRO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CCCS1(=O)=O ZINC001086555925 686407039 /nfs/dbraw/zinc/40/70/39/686407039.db2.gz DCNQHLDLPOYWRG-BJDJZHNGSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CCCS1(=O)=O ZINC001086555926 686407176 /nfs/dbraw/zinc/40/71/76/686407176.db2.gz DCNQHLDLPOYWRG-DDHJBXDOSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CCCS1(=O)=O ZINC001086555927 686407185 /nfs/dbraw/zinc/40/71/85/686407185.db2.gz DCNQHLDLPOYWRG-FIQHERPVSA-N 1 0 329.422 -1.064 20 0 EAADRO O=C(NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CCCS1(=O)=O ZINC001086555928 686407138 /nfs/dbraw/zinc/40/71/38/686407138.db2.gz DCNQHLDLPOYWRG-KKOKHZNYSA-N 1 0 329.422 -1.064 20 0 EAADRO Cn1ccnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086558089 686407914 /nfs/dbraw/zinc/40/79/14/686407914.db2.gz RITLRSAILOIUMN-XYPYZODXSA-N 1 0 346.395 -1.205 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001086558098 686407909 /nfs/dbraw/zinc/40/79/09/686407909.db2.gz RZPJSDOQZQAHKJ-XYPYZODXSA-N 1 0 349.395 -1.906 20 0 EAADRO Cn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001086558351 686407887 /nfs/dbraw/zinc/40/78/87/686407887.db2.gz FUNFYVTTXWYRRY-UMSPYCQHSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086558354 686407667 /nfs/dbraw/zinc/40/76/67/686407667.db2.gz FVOUIUBMPFDIFT-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1cncc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086558392 686407780 /nfs/dbraw/zinc/40/77/80/686407780.db2.gz KNSJTHCZNIVLAM-XYPYZODXSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1nccc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086558463 686407794 /nfs/dbraw/zinc/40/77/94/686407794.db2.gz RHGJDJOODVLSLU-XYPYZODXSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001086558527 686407675 /nfs/dbraw/zinc/40/76/75/686407675.db2.gz YLZJRBIQRLXKSG-UMSPYCQHSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086558528 686407935 /nfs/dbraw/zinc/40/79/35/686407935.db2.gz YQIBWCIGIOQZIB-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086558553 686407831 /nfs/dbraw/zinc/40/78/31/686407831.db2.gz ASNLESAYJUQOLU-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001086558565 686407686 /nfs/dbraw/zinc/40/76/86/686407686.db2.gz BGHXNTZWLMAZSI-GUBZILKMSA-N 1 0 337.384 -1.875 20 0 EAADRO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001086558566 686407690 /nfs/dbraw/zinc/40/76/90/686407690.db2.gz BGHXNTZWLMAZSI-OPRDCNLKSA-N 1 0 337.384 -1.875 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001086558569 686407782 /nfs/dbraw/zinc/40/77/82/686407782.db2.gz BOKCFECDUZEKOE-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)nn1 ZINC001086558602 686407797 /nfs/dbraw/zinc/40/77/97/686407797.db2.gz DPAZAODAMHZYKU-IJLUTSLNSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC001086558603 686407896 /nfs/dbraw/zinc/40/78/96/686407896.db2.gz DPAZAODAMHZYKU-SRVKXCTJSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)nn1 ZINC001086558621 686407809 /nfs/dbraw/zinc/40/78/09/686407809.db2.gz FQFZHPPXQRNEIV-XYPYZODXSA-N 1 0 347.383 -1.847 20 0 EAADRO CN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001086558710 686407856 /nfs/dbraw/zinc/40/78/56/686407856.db2.gz LTWKRBSJJARZSG-DCAQKATOSA-N 1 0 349.395 -1.908 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001086558711 686407718 /nfs/dbraw/zinc/40/77/18/686407718.db2.gz LTWKRBSJJARZSG-GMTAPVOTSA-N 1 0 349.395 -1.908 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001086558735 686407621 /nfs/dbraw/zinc/40/76/21/686407621.db2.gz NJJRWMYJZMTDPX-MGCOHNPYSA-N 1 0 337.384 -2.050 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)nn1 ZINC001086558755 686407849 /nfs/dbraw/zinc/40/78/49/686407849.db2.gz PCTUCYLXNKLUQL-HAQNSBGRSA-N 1 0 346.395 -1.242 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001086558758 686407892 /nfs/dbraw/zinc/40/78/92/686407892.db2.gz PHAYGPMZAKYNON-MGCOHNPYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001086558761 686407764 /nfs/dbraw/zinc/40/77/64/686407764.db2.gz PKPLYZQJDZHQQB-MGCOHNPYSA-N 1 0 347.383 -1.512 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001086558763 686407864 /nfs/dbraw/zinc/40/78/64/686407864.db2.gz PNXRTEZLKBAHHY-IJLUTSLNSA-N 1 0 338.412 -1.155 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001086558764 686407633 /nfs/dbraw/zinc/40/76/33/686407633.db2.gz PNXRTEZLKBAHHY-SRVKXCTJSA-N 1 0 338.412 -1.155 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001086558831 686407728 /nfs/dbraw/zinc/40/77/28/686407728.db2.gz VMKJIBGYVXZUOQ-DCAQKATOSA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001086558832 686407843 /nfs/dbraw/zinc/40/78/43/686407843.db2.gz VMKJIBGYVXZUOQ-GMTAPVOTSA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001086558900 686407883 /nfs/dbraw/zinc/40/78/83/686407883.db2.gz ZKRXMSLBZFWKKH-GUBZILKMSA-N 1 0 335.368 -2.250 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001086558901 686407858 /nfs/dbraw/zinc/40/78/58/686407858.db2.gz ZKRXMSLBZFWKKH-OPRDCNLKSA-N 1 0 335.368 -2.250 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC001086559700 686407925 /nfs/dbraw/zinc/40/79/25/686407925.db2.gz IAJMHDNKIDLGCZ-MGCOHNPYSA-N 1 0 349.395 -1.556 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001086559950 686407792 /nfs/dbraw/zinc/40/77/92/686407792.db2.gz QXESYVQHYWRYBF-DCAQKATOSA-N 1 0 349.391 -1.373 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n(C)c1=O ZINC001086559951 686407906 /nfs/dbraw/zinc/40/79/06/686407906.db2.gz QXESYVQHYWRYBF-GMTAPVOTSA-N 1 0 349.391 -1.373 20 0 EAADRO Cc1nc[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001086566992 686407605 /nfs/dbraw/zinc/40/76/05/686407605.db2.gz NDEGVLBYUDFEEM-HAQNSBGRSA-N 1 0 348.407 -1.225 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCO)C[C@H]1c1ccccc1 ZINC001086603126 686407650 /nfs/dbraw/zinc/40/76/50/686407650.db2.gz IZHLYOWFTWUCSP-JKSUJKDBSA-N 1 0 346.431 -1.005 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)nc1=O ZINC001086647581 686407953 /nfs/dbraw/zinc/40/79/53/686407953.db2.gz SHTWXUJBWPWRFM-QJPTWQEYSA-N 1 0 339.396 -1.102 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001086647582 686407709 /nfs/dbraw/zinc/40/77/09/686407709.db2.gz SHTWXUJBWPWRFM-TUAOUCFPSA-N 1 0 339.396 -1.102 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn[nH]c2)C1)N1CCNC(=O)C1 ZINC001086649752 686407840 /nfs/dbraw/zinc/40/78/40/686407840.db2.gz NCUIYOZZPFTAME-WCQYABFASA-N 1 0 348.407 -1.144 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn[nH]2)C1)N1CCNC(=O)C1 ZINC001086649823 686407861 /nfs/dbraw/zinc/40/78/61/686407861.db2.gz QTQZDQVVEZILSO-NWDGAFQWSA-N 1 0 348.407 -1.144 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)nc1=O ZINC001086659847 686408484 /nfs/dbraw/zinc/40/84/84/686408484.db2.gz NMGZZGGTHMWJAN-HBNTYKKESA-N 1 0 336.396 -1.239 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086664278 686408522 /nfs/dbraw/zinc/40/85/22/686408522.db2.gz GWBJKAABNJNHPZ-XQQFMLRXSA-N 1 0 337.428 -1.085 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086664279 686408466 /nfs/dbraw/zinc/40/84/66/686408466.db2.gz GWBJKAABNJNHPZ-YNEHKIRRSA-N 1 0 337.428 -1.085 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001086675081 686408544 /nfs/dbraw/zinc/40/85/44/686408544.db2.gz KIUYZFUCIARVJO-XQQFMLRXSA-N 1 0 337.428 -1.085 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001086675082 686408422 /nfs/dbraw/zinc/40/84/22/686408422.db2.gz KIUYZFUCIARVJO-YNEHKIRRSA-N 1 0 337.428 -1.085 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1COC(=O)N1 ZINC001086686277 686408439 /nfs/dbraw/zinc/40/84/39/686408439.db2.gz OOJUYTNUJLIDAW-QJPTWQEYSA-N 1 0 339.396 -1.006 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1COC(=O)N1 ZINC001086686278 686408614 /nfs/dbraw/zinc/40/86/14/686408614.db2.gz OOJUYTNUJLIDAW-TUAOUCFPSA-N 1 0 339.396 -1.006 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nc1=O ZINC001086686389 686408625 /nfs/dbraw/zinc/40/86/25/686408625.db2.gz SGHCZTFOJUJYPS-AEJSXWLSSA-N 1 0 338.368 -1.409 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)nc1=O ZINC001086686390 686408566 /nfs/dbraw/zinc/40/85/66/686408566.db2.gz SGHCZTFOJUJYPS-IVZWLZJFSA-N 1 0 338.368 -1.409 20 0 EAADRO Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086687650 686408480 /nfs/dbraw/zinc/40/84/80/686408480.db2.gz BXDZHSADPBBWJZ-WDEREUQCSA-N 1 0 349.395 -1.145 20 0 EAADRO Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001086688489 686408610 /nfs/dbraw/zinc/40/86/10/686408610.db2.gz VAJVPEBMLUCZMN-VHSXEESVSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001086689251 686408549 /nfs/dbraw/zinc/40/85/49/686408549.db2.gz GXMJYNLLCCSOCR-WDEREUQCSA-N 1 0 349.395 -1.145 20 0 EAADRO Cn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001086690012 686408574 /nfs/dbraw/zinc/40/85/74/686408574.db2.gz QPPZEHQIGVMEIN-WDEREUQCSA-N 1 0 349.395 -1.145 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ncc[nH]2)C1)N1CCNC(=O)C1 ZINC001086691584 686408607 /nfs/dbraw/zinc/40/86/07/686408607.db2.gz RWSCEXSHJBCBTI-NWDGAFQWSA-N 1 0 348.407 -1.144 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001086705279 686408377 /nfs/dbraw/zinc/40/83/77/686408377.db2.gz NXINSCMVFRTTOW-GXSJLCMTSA-N 1 0 342.425 -1.371 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CS(=O)(=O)C1 ZINC001086705397 686408368 /nfs/dbraw/zinc/40/83/68/686408368.db2.gz UCUDLZWIXPXSIC-MVWJERBFSA-N 1 0 329.422 -1.206 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CS(=O)(=O)C1 ZINC001086705398 686408547 /nfs/dbraw/zinc/40/85/47/686408547.db2.gz UCUDLZWIXPXSIC-WCQGTBRESA-N 1 0 329.422 -1.206 20 0 EAADRO COCCN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CC1=O ZINC001086710702 686408575 /nfs/dbraw/zinc/40/85/75/686408575.db2.gz IYDMPYLWYFMVLT-RWMBFGLXSA-N 1 0 340.424 -1.159 20 0 EAADRO COCCN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CC1=O ZINC001086710703 686408461 /nfs/dbraw/zinc/40/84/61/686408461.db2.gz IYDMPYLWYFMVLT-YNEHKIRRSA-N 1 0 340.424 -1.159 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001086721222 686408617 /nfs/dbraw/zinc/40/86/17/686408617.db2.gz MDQQGQGUMUKIEZ-WDEREUQCSA-N 1 0 346.395 -1.008 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001086736319 686408517 /nfs/dbraw/zinc/40/85/17/686408517.db2.gz LOAOGWVUCASJFB-WCBMZHEXSA-N 1 0 344.393 -1.100 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001086736699 686408576 /nfs/dbraw/zinc/40/85/76/686408576.db2.gz AHXQQFODERNBMT-GARJFASQSA-N 1 0 336.396 -1.094 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001086736700 686408433 /nfs/dbraw/zinc/40/84/33/686408433.db2.gz AHXQQFODERNBMT-HBNTYKKESA-N 1 0 336.396 -1.094 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn[nH]n2)C1)N1CCNC(=O)C1 ZINC001086740848 686408578 /nfs/dbraw/zinc/40/85/78/686408578.db2.gz SAAZKEFJHHUZMN-WDEREUQCSA-N 1 0 349.395 -1.749 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cn[nH]n1 ZINC001086742999 686408535 /nfs/dbraw/zinc/40/85/35/686408535.db2.gz SBYJXJZDWHMRAZ-VHSXEESVSA-N 1 0 335.368 -1.155 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001086744418 686408415 /nfs/dbraw/zinc/40/84/15/686408415.db2.gz QTKGDQDIDJATAP-DTWKUNHWSA-N 1 0 344.393 -1.100 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001086763074 686408493 /nfs/dbraw/zinc/40/84/93/686408493.db2.gz QOFFFUZEZHGLFH-WDEREUQCSA-N 1 0 346.395 -1.008 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001086764823 686408622 /nfs/dbraw/zinc/40/86/22/686408622.db2.gz JMLWHLODAHDHFP-AEJSXWLSSA-N 1 0 346.409 -2.741 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCF)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001086764878 686408641 /nfs/dbraw/zinc/40/86/41/686408641.db2.gz LZKUYCRIJVEDHV-AXFHLTTASA-N 1 0 335.401 -1.256 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCO)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001086764897 686409052 /nfs/dbraw/zinc/40/90/52/686409052.db2.gz MWKVBUXNUSPEQP-AXFHLTTASA-N 1 0 333.410 -2.234 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001086765297 686409273 /nfs/dbraw/zinc/40/92/73/686409273.db2.gz IQABTYUEOCSSBS-UMNHJUIQSA-N 1 0 334.380 -1.275 20 0 EAADRO CO[C@H]1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)N(C(C)=O)C1 ZINC001086768491 686409218 /nfs/dbraw/zinc/40/92/18/686409218.db2.gz JRHGKBGWDVOYRJ-RFQIPJPRSA-N 1 0 340.424 -1.018 20 0 EAADRO Cc1nc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)nn1-c1nc[nH]n1 ZINC001086771263 686409000 /nfs/dbraw/zinc/40/90/00/686409000.db2.gz AIDZVKHZXLZYIU-VHSXEESVSA-N 1 0 347.383 -1.333 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001086774991 686409086 /nfs/dbraw/zinc/40/90/86/686409086.db2.gz PSQUGXWHKXJQHQ-HOSYDEDBSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001086774992 686409063 /nfs/dbraw/zinc/40/90/63/686409063.db2.gz PSQUGXWHKXJQHQ-UMNHJUIQSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)nc1=O ZINC001086776693 686409111 /nfs/dbraw/zinc/40/91/11/686409111.db2.gz OMTFBRBLZFOQRK-AXFHLTTASA-N 1 0 336.396 -1.381 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)nc1=O ZINC001086776694 686409149 /nfs/dbraw/zinc/40/91/49/686409149.db2.gz OMTFBRBLZFOQRK-HBNTYKKESA-N 1 0 336.396 -1.381 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001086777493 686409221 /nfs/dbraw/zinc/40/92/21/686409221.db2.gz SYNBUVDXXRKYET-AXFHLTTASA-N 1 0 336.400 -1.392 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001086777494 686409317 /nfs/dbraw/zinc/40/93/17/686409317.db2.gz SYNBUVDXXRKYET-HBNTYKKESA-N 1 0 336.400 -1.392 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001086779360 686409184 /nfs/dbraw/zinc/40/91/84/686409184.db2.gz JRCJVMNNDHBITD-KXUCPTDWSA-N 1 0 334.388 -1.017 20 0 EAADRO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001086779361 686409285 /nfs/dbraw/zinc/40/92/85/686409285.db2.gz JRCJVMNNDHBITD-LPEHRKFASA-N 1 0 334.388 -1.017 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001086779426 686409364 /nfs/dbraw/zinc/40/93/64/686409364.db2.gz MACBMCVBFMRHCU-AEJSXWLSSA-N 1 0 335.368 -1.497 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001086779427 686409207 /nfs/dbraw/zinc/40/92/07/686409207.db2.gz MACBMCVBFMRHCU-IVZWLZJFSA-N 1 0 335.368 -1.497 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)n1 ZINC001086779517 686409045 /nfs/dbraw/zinc/40/90/45/686409045.db2.gz QFYYZGMGAQOXQF-WDEREUQCSA-N 1 0 336.400 -1.277 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001086780016 686409069 /nfs/dbraw/zinc/40/90/69/686409069.db2.gz OEZLGQALXUJNTI-DTWKUNHWSA-N 1 0 335.372 -1.680 20 0 EAADRO Cn1nnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)n1 ZINC001086780405 686409203 /nfs/dbraw/zinc/40/92/03/686409203.db2.gz NODVCOLJSZTESW-WDEREUQCSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)nc1=O ZINC001086788280 686408986 /nfs/dbraw/zinc/40/89/86/686408986.db2.gz IMPMGJPEXZDNDU-VHSXEESVSA-N 1 0 347.379 -1.120 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001086788554 686409241 /nfs/dbraw/zinc/40/92/41/686409241.db2.gz SMKYCCICRIDDIO-VHSXEESVSA-N 1 0 332.368 -1.018 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001086791030 686409057 /nfs/dbraw/zinc/40/90/57/686409057.db2.gz MSEKILZDSWVHLN-QJPTWQEYSA-N 1 0 338.412 -1.433 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001086791031 686409035 /nfs/dbraw/zinc/40/90/35/686409035.db2.gz MSEKILZDSWVHLN-TUAOUCFPSA-N 1 0 338.412 -1.433 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O ZINC001086791410 686409325 /nfs/dbraw/zinc/40/93/25/686409325.db2.gz YIVQOLQKRZBSDO-AEJSXWLSSA-N 1 0 337.384 -1.836 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nc1=O ZINC001086791411 686409097 /nfs/dbraw/zinc/40/90/97/686409097.db2.gz YIVQOLQKRZBSDO-IVZWLZJFSA-N 1 0 337.384 -1.836 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001086798849 686409261 /nfs/dbraw/zinc/40/92/61/686409261.db2.gz KYEHYYWNIGDRBS-JGVFFNPUSA-N 1 0 344.397 -1.970 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001086798881 686409007 /nfs/dbraw/zinc/40/90/07/686409007.db2.gz MPSRNMCNFRPHNU-DTWKUNHWSA-N 1 0 331.398 -1.463 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001086798893 686409163 /nfs/dbraw/zinc/40/91/63/686409163.db2.gz NFDNXJZFEGAWGH-KXUCPTDWSA-N 1 0 345.425 -1.074 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001086798894 686409301 /nfs/dbraw/zinc/40/93/01/686409301.db2.gz NFDNXJZFEGAWGH-LPEHRKFASA-N 1 0 345.425 -1.074 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC001086802140 686409348 /nfs/dbraw/zinc/40/93/48/686409348.db2.gz RMMUHLVNFXGCPA-LOWDOPEQSA-N 1 0 340.424 -1.018 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001086803992 686409137 /nfs/dbraw/zinc/40/91/37/686409137.db2.gz LPKJSFRJDDNIRK-ZDCRXTMVSA-N 1 0 336.396 -1.396 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001086808584 686409158 /nfs/dbraw/zinc/40/91/58/686409158.db2.gz PXRQPQMPBWFLCS-QJPTWQEYSA-N 1 0 335.412 -1.015 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001086808585 686409305 /nfs/dbraw/zinc/40/93/05/686409305.db2.gz PXRQPQMPBWFLCS-SDDRHHMPSA-N 1 0 335.412 -1.015 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086816296 686409013 /nfs/dbraw/zinc/40/90/13/686409013.db2.gz DWDFTUJXCDIFKP-TUAOUCFPSA-N 1 0 349.395 -1.249 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001086816403 686409252 /nfs/dbraw/zinc/40/92/52/686409252.db2.gz JRJHGAKLIGPMRB-UMNHJUIQSA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001086816457 686408974 /nfs/dbraw/zinc/40/89/74/686408974.db2.gz MIPOLMSYCJFLKY-UMNHJUIQSA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086816461 686409026 /nfs/dbraw/zinc/40/90/26/686409026.db2.gz MKRDEOYVWOHMOZ-AXFHLTTASA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086816647 686409119 /nfs/dbraw/zinc/40/91/19/686409119.db2.gz UVQIQTOMWIMTTH-AXFHLTTASA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086816760 686409214 /nfs/dbraw/zinc/40/92/14/686409214.db2.gz ZQVXTMTXFCXBMW-UMNHJUIQSA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)c(=O)n(C)c1=O ZINC001086817818 686409342 /nfs/dbraw/zinc/40/93/42/686409342.db2.gz BKTYMMHUIOSMSC-VHSXEESVSA-N 1 0 337.380 -1.943 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001086818259 686409331 /nfs/dbraw/zinc/40/93/31/686409331.db2.gz XIPIZUUYHAUQGW-GRYCIOLGSA-N 1 0 338.408 -1.047 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001086818260 686409359 /nfs/dbraw/zinc/40/93/59/686409359.db2.gz XIPIZUUYHAUQGW-SDDRHHMPSA-N 1 0 338.408 -1.047 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)S1(=O)=O ZINC001086826460 686409193 /nfs/dbraw/zinc/40/91/93/686409193.db2.gz QWLSYWIAIOOKED-AXFHLTTASA-N 1 0 332.426 -1.620 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)S1(=O)=O ZINC001086826461 686409091 /nfs/dbraw/zinc/40/90/91/686409091.db2.gz QWLSYWIAIOOKED-HBNTYKKESA-N 1 0 332.426 -1.620 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001086826663 686409370 /nfs/dbraw/zinc/40/93/70/686409370.db2.gz BNVFUYQGDMQGMZ-HFXIDOFESA-N 1 0 337.380 -1.666 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001086827933 686409309 /nfs/dbraw/zinc/40/93/09/686409309.db2.gz RIRSXRYKQXGXLL-VHSXEESVSA-N 1 0 334.384 -1.075 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001086828159 686409289 /nfs/dbraw/zinc/40/92/89/686409289.db2.gz DKFMTBQCJMCYCT-GXSJLCMTSA-N 1 0 349.395 -1.363 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001086828234 686409230 /nfs/dbraw/zinc/40/92/30/686409230.db2.gz HXQBNLLWCGLGRA-MVWJERBFSA-N 1 0 336.392 -1.198 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001086828235 686409337 /nfs/dbraw/zinc/40/93/37/686409337.db2.gz HXQBNLLWCGLGRA-WCQGTBRESA-N 1 0 336.392 -1.198 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001086828386 686409103 /nfs/dbraw/zinc/40/91/03/686409103.db2.gz SFIJCGSFOSYDIZ-WDEREUQCSA-N 1 0 349.395 -1.145 20 0 EAADRO O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)c2nnc[nH]2)C1)N1CCNC(=O)C1 ZINC001086831537 686409803 /nfs/dbraw/zinc/40/98/03/686409803.db2.gz DAPBUVZTKRPZBI-WDEREUQCSA-N 1 0 349.395 -1.749 20 0 EAADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1nnc[nH]1 ZINC001086832269 686409752 /nfs/dbraw/zinc/40/97/52/686409752.db2.gz JYXFQMISMXEUPV-VHSXEESVSA-N 1 0 335.368 -1.155 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086852517 686409669 /nfs/dbraw/zinc/40/96/69/686409669.db2.gz GVTGBXGAEPKNGK-JGVFFNPUSA-N 1 0 339.352 -1.130 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086852659 686409660 /nfs/dbraw/zinc/40/96/60/686409660.db2.gz MXKPUAHQMDZFDW-KXUCPTDWSA-N 1 0 347.379 -1.221 20 0 EAADRO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(N)=O ZINC001086852660 686409720 /nfs/dbraw/zinc/40/97/20/686409720.db2.gz MXKPUAHQMDZFDW-LPEHRKFASA-N 1 0 347.379 -1.221 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001086852771 686409714 /nfs/dbraw/zinc/40/97/14/686409714.db2.gz RFDRQRMHTPAOIC-DTWKUNHWSA-N 1 0 333.352 -1.609 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O ZINC001086856197 686409629 /nfs/dbraw/zinc/40/96/29/686409629.db2.gz NMGZZGGTHMWJAN-AXFHLTTASA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086866869 686409734 /nfs/dbraw/zinc/40/97/34/686409734.db2.gz GMMHGAQEURXZQB-XQQFMLRXSA-N 1 0 326.397 -1.407 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086866870 686409704 /nfs/dbraw/zinc/40/97/04/686409704.db2.gz GMMHGAQEURXZQB-YNEHKIRRSA-N 1 0 326.397 -1.407 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001086869909 686409738 /nfs/dbraw/zinc/40/97/38/686409738.db2.gz DIOORJOSDJZVRL-WDEREUQCSA-N 1 0 346.395 -1.008 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1)C(N)=O ZINC001086871380 686409778 /nfs/dbraw/zinc/40/97/78/686409778.db2.gz ARZAVQJONVLHGI-KXUCPTDWSA-N 1 0 334.380 -1.063 20 0 EAADRO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1)C(N)=O ZINC001086871381 686409645 /nfs/dbraw/zinc/40/96/45/686409645.db2.gz ARZAVQJONVLHGI-LPEHRKFASA-N 1 0 334.380 -1.063 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086871489 686409624 /nfs/dbraw/zinc/40/96/24/686409624.db2.gz HKAYHCRXGFNOAA-AXFHLTTASA-N 1 0 346.391 -1.048 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086871490 686409650 /nfs/dbraw/zinc/40/96/50/686409650.db2.gz HKAYHCRXGFNOAA-HBNTYKKESA-N 1 0 346.391 -1.048 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(N)=O ZINC001086873363 686409772 /nfs/dbraw/zinc/40/97/72/686409772.db2.gz DOFGHDLLZVLFQV-KXUCPTDWSA-N 1 0 337.380 -1.152 20 0 EAADRO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(N)=O ZINC001086873364 686410617 /nfs/dbraw/zinc/41/06/17/686410617.db2.gz DOFGHDLLZVLFQV-LPEHRKFASA-N 1 0 337.380 -1.152 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001086873788 686410554 /nfs/dbraw/zinc/41/05/54/686410554.db2.gz ZWHSRKTYARCQQU-HOSYDEDBSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001086873789 686410220 /nfs/dbraw/zinc/41/02/20/686410220.db2.gz ZWHSRKTYARCQQU-UMNHJUIQSA-N 1 0 349.391 -1.138 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086879584 686409730 /nfs/dbraw/zinc/40/97/30/686409730.db2.gz QVKYMAPKPMFKFY-XQQFMLRXSA-N 1 0 326.397 -1.407 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086879585 686409678 /nfs/dbraw/zinc/40/96/78/686409678.db2.gz QVKYMAPKPMFKFY-YNEHKIRRSA-N 1 0 326.397 -1.407 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)nn1 ZINC001086882797 686409637 /nfs/dbraw/zinc/40/96/37/686409637.db2.gz MXGKNMYROATZTL-VHSXEESVSA-N 1 0 348.367 -1.165 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001086882875 686409612 /nfs/dbraw/zinc/40/96/12/686409612.db2.gz REUZYADJFUHYFP-KXUCPTDWSA-N 1 0 337.384 -1.875 20 0 EAADRO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001086882876 686409749 /nfs/dbraw/zinc/40/97/49/686409749.db2.gz REUZYADJFUHYFP-LPEHRKFASA-N 1 0 337.384 -1.875 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001086882937 686409606 /nfs/dbraw/zinc/40/96/06/686409606.db2.gz VTRTVHANINBTGG-AXFHLTTASA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001086882938 686409658 /nfs/dbraw/zinc/40/96/58/686409658.db2.gz VTRTVHANINBTGG-HBNTYKKESA-N 1 0 349.395 -1.860 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)nn1 ZINC001086883111 686409654 /nfs/dbraw/zinc/40/96/54/686409654.db2.gz NHJFTHREEVXDOC-NWDGAFQWSA-N 1 0 338.412 -1.153 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001086884858 686410365 /nfs/dbraw/zinc/41/03/65/686410365.db2.gz ZXIYMAMVTCOEQS-WDEREUQCSA-N 1 0 348.411 -1.064 20 0 EAADRO C[C@@H]1CC2(CN1C(=O)C(N)=O)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001086940647 686410197 /nfs/dbraw/zinc/41/01/97/686410197.db2.gz XDBIEONXVPFNON-GHMZBOCLSA-N 1 0 336.392 -1.020 20 0 EAADRO C[C@@H]1CC2(CN1C(=O)C(N)=O)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001086940648 686410581 /nfs/dbraw/zinc/41/05/81/686410581.db2.gz XDBIEONXVPFNON-MNOVXSKESA-N 1 0 336.392 -1.020 20 0 EAADRO C[C@H]1CC2(CN1C(=O)C(N)=O)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001086940649 686410247 /nfs/dbraw/zinc/41/02/47/686410247.db2.gz XDBIEONXVPFNON-QWRGUYRKSA-N 1 0 336.392 -1.020 20 0 EAADRO C[C@H]1CC2(CN1C(=O)C(N)=O)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001086940650 686410591 /nfs/dbraw/zinc/41/05/91/686410591.db2.gz XDBIEONXVPFNON-WDEREUQCSA-N 1 0 336.392 -1.020 20 0 EAADRO CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001086959077 686410540 /nfs/dbraw/zinc/41/05/40/686410540.db2.gz ORGWQYNOBSRQQM-UONOGXRCSA-N 1 0 348.407 -1.718 20 0 EAADRO COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086959196 686410147 /nfs/dbraw/zinc/41/01/47/686410147.db2.gz USMHYZJOATYAQA-RWMBFGLXSA-N 1 0 349.391 -1.244 20 0 EAADRO COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086959197 686410518 /nfs/dbraw/zinc/41/05/18/686410518.db2.gz USMHYZJOATYAQA-YNEHKIRRSA-N 1 0 349.391 -1.244 20 0 EAADRO CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086961248 686410499 /nfs/dbraw/zinc/41/04/99/686410499.db2.gz XHYOOEFPULKTNE-QWHCGFSZSA-N 1 0 334.380 -1.124 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086964356 686410357 /nfs/dbraw/zinc/41/03/57/686410357.db2.gz ALNLGRBSWICWLR-UONOGXRCSA-N 1 0 344.375 -1.263 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnccn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086964579 686410455 /nfs/dbraw/zinc/41/04/55/686410455.db2.gz MHBYKWNFIDVUAU-WCQYABFASA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086965485 686410415 /nfs/dbraw/zinc/41/04/15/686410415.db2.gz JFVHGEINQLKTCH-NWDGAFQWSA-N 1 0 335.364 -1.322 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086965528 686410261 /nfs/dbraw/zinc/41/02/61/686410261.db2.gz LBGXMXZEWDIFOP-CMPLNLGQSA-N 1 0 345.363 -1.401 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086965917 686410328 /nfs/dbraw/zinc/41/03/28/686410328.db2.gz BYSFQNLENAXUBK-QWHCGFSZSA-N 1 0 348.407 -1.588 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cnn(C)c1 ZINC001086965956 686410475 /nfs/dbraw/zinc/41/04/75/686410475.db2.gz DVFPLEHPLZVEAR-KGYLQXTDSA-N 1 0 334.384 -1.628 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cnn(C)c1 ZINC001086965957 686410170 /nfs/dbraw/zinc/41/01/70/686410170.db2.gz DVFPLEHPLZVEAR-WCFLWFBJSA-N 1 0 334.384 -1.628 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086965989 686410384 /nfs/dbraw/zinc/41/03/84/686410384.db2.gz FZBWPQFJNOMOBL-WDEREUQCSA-N 1 0 333.356 -2.524 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2[NH2+]CCO)cn1 ZINC001086966140 686410337 /nfs/dbraw/zinc/41/03/37/686410337.db2.gz MXPFDMYZCAMJSO-UONOGXRCSA-N 1 0 333.396 -1.022 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086966150 686410238 /nfs/dbraw/zinc/41/02/38/686410238.db2.gz NGBLISXAKBOHPS-ADEWGFFLSA-N 1 0 347.383 -2.135 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086966151 686410392 /nfs/dbraw/zinc/41/03/92/686410392.db2.gz NGBLISXAKBOHPS-ZMLRMANQSA-N 1 0 347.383 -2.135 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086966276 686410479 /nfs/dbraw/zinc/41/04/79/686410479.db2.gz UEEHHIRVWNUXOR-UONOGXRCSA-N 1 0 335.408 -1.081 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)cn1 ZINC001086966567 686410595 /nfs/dbraw/zinc/41/05/95/686410595.db2.gz JGFNBGJDGXKJHM-QWHCGFSZSA-N 1 0 331.380 -1.163 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086966905 686410586 /nfs/dbraw/zinc/41/05/86/686410586.db2.gz AATMVPBXULKLAT-QWHCGFSZSA-N 1 0 331.380 -1.314 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086968078 686410609 /nfs/dbraw/zinc/41/06/09/686410609.db2.gz IPPOJXRCLGTNSZ-QWHCGFSZSA-N 1 0 346.395 -1.529 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086968646 686410265 /nfs/dbraw/zinc/41/02/65/686410265.db2.gz GMNBILVKDLELOD-XQQFMLRXSA-N 1 0 337.380 -1.795 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086968647 686410622 /nfs/dbraw/zinc/41/06/22/686410622.db2.gz GMNBILVKDLELOD-YNEHKIRRSA-N 1 0 337.380 -1.795 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnns3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086968686 686410558 /nfs/dbraw/zinc/41/05/58/686410558.db2.gz IMHLSEWBJOPNFA-VHSXEESVSA-N 1 0 335.393 -1.045 20 0 EAADRO Cc1cnn(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001086968840 686410430 /nfs/dbraw/zinc/41/04/30/686410430.db2.gz OTXOMRLYJALZBY-UONOGXRCSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnsn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086969020 686410230 /nfs/dbraw/zinc/41/02/30/686410230.db2.gz YMTBDCPVLMUVJO-GXSJLCMTSA-N 1 0 335.393 -1.045 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086969707 686410287 /nfs/dbraw/zinc/41/02/87/686410287.db2.gz 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Cn1cc([C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2[NH2+]CCO)cn1 ZINC001086971487 686410176 /nfs/dbraw/zinc/41/01/76/686410176.db2.gz PNRABJNWEXVHGI-NWDGAFQWSA-N 1 0 331.380 -1.018 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086971630 686410251 /nfs/dbraw/zinc/41/02/51/686410251.db2.gz XBONIJMCCBRSIP-WDEREUQCSA-N 1 0 344.379 -1.525 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086971669 686410437 /nfs/dbraw/zinc/41/04/37/686410437.db2.gz YZUMJDCCKJDICS-QJPTWQEYSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@@H]2CCNC2=O)cn1 ZINC001086971770 686410509 /nfs/dbraw/zinc/41/05/09/686410509.db2.gz DONZBFFPJSTXKX-QJPTWQEYSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@H]2CCNC2=O)cn1 ZINC001086971771 686410604 /nfs/dbraw/zinc/41/06/04/686410604.db2.gz DONZBFFPJSTXKX-SDDRHHMPSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+]CC(=O)N2CCC2)cn1 ZINC001086971845 686410301 /nfs/dbraw/zinc/41/03/01/686410301.db2.gz IDSUBQLZPWXUFV-QWHCGFSZSA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+]CCn2cncn2)cn1 ZINC001086971926 686410425 /nfs/dbraw/zinc/41/04/25/686410425.db2.gz MRGGIVLLJOXRBX-QWHCGFSZSA-N 1 0 346.395 -1.529 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@H]2CCN(C)C2=O)cn1 ZINC001086971937 686410577 /nfs/dbraw/zinc/41/05/77/686410577.db2.gz NCEJMGKDJZEOQH-RWMBFGLXSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@@H]2CCN(C)C2=O)cn1 ZINC001086971938 686410492 /nfs/dbraw/zinc/41/04/92/686410492.db2.gz NCEJMGKDJZEOQH-YNEHKIRRSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@H]2CCCNC2=O)cn1 ZINC001086971974 686410375 /nfs/dbraw/zinc/41/03/75/686410375.db2.gz PKIPOXKXLVNFIA-RWMBFGLXSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2[NH2+][C@@H]2CCCNC2=O)cn1 ZINC001086971975 686410465 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Cn1cc([C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086975852 686411487 /nfs/dbraw/zinc/41/14/87/686411487.db2.gz LFPVPPZIKPUJQA-LSDHHAIUSA-N 1 0 337.424 -1.371 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086976161 686411175 /nfs/dbraw/zinc/41/11/75/686411175.db2.gz DHNWHELYDGLMIC-WDEREUQCSA-N 1 0 348.363 -1.605 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2[NH2+]CCO)cn1 ZINC001086976173 686411362 /nfs/dbraw/zinc/41/13/62/686411362.db2.gz FCJMASUXFMLXTO-NWDGAFQWSA-N 1 0 335.364 -1.098 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086976213 686411297 /nfs/dbraw/zinc/41/12/97/686411297.db2.gz HEBLCVWHYGMIRO-LSDHHAIUSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086976278 686411124 /nfs/dbraw/zinc/41/11/24/686411124.db2.gz KVVSNSZMARDWQN-NWDGAFQWSA-N 1 0 335.368 -1.706 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086976305 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CC(=O)N1CC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086976762 686411563 /nfs/dbraw/zinc/41/15/63/686411563.db2.gz JUUOOQUXQIMALS-UONOGXRCSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cc3ccnn3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086976814 686411339 /nfs/dbraw/zinc/41/13/39/686411339.db2.gz MZFPNOGYDBKGNH-UONOGXRCSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2[NH2+]CCO)cn1 ZINC001086976867 686411615 /nfs/dbraw/zinc/41/16/15/686411615.db2.gz QLBZMJLQCFBNTC-UONOGXRCSA-N 1 0 333.396 -1.022 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086976944 686411626 /nfs/dbraw/zinc/41/16/26/686411626.db2.gz TYHICWXQTNMSRK-QWHCGFSZSA-N 1 0 346.395 -1.529 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086977113 686411072 /nfs/dbraw/zinc/41/10/72/686411072.db2.gz DJIAYYHGBNBVRX-ADEWGFFLSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086977114 686411469 /nfs/dbraw/zinc/41/14/69/686411469.db2.gz DJIAYYHGBNBVRX-ZMLRMANQSA-N 1 0 346.395 -1.380 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086977192 686411077 /nfs/dbraw/zinc/41/10/77/686411077.db2.gz IDPGCSWFCOZOIS-AXFHLTTASA-N 1 0 336.352 -2.102 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086977193 686411063 /nfs/dbraw/zinc/41/10/63/686411063.db2.gz IDPGCSWFCOZOIS-HBNTYKKESA-N 1 0 336.352 -2.102 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086977448 686411371 /nfs/dbraw/zinc/41/13/71/686411371.db2.gz VISBAOPAYMZTDP-WDEREUQCSA-N 1 0 332.368 -1.768 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086977530 686411417 /nfs/dbraw/zinc/41/14/17/686411417.db2.gz ZEVRQIPZCGBRQF-ADEWGFFLSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086977531 686411074 /nfs/dbraw/zinc/41/10/74/686411074.db2.gz ZEVRQIPZCGBRQF-ZMLRMANQSA-N 1 0 346.395 -1.380 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086977707 686411153 /nfs/dbraw/zinc/41/11/53/686411153.db2.gz KKHBBSHSZXIVNX-WDEREUQCSA-N 1 0 332.368 -1.768 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086977976 686411351 /nfs/dbraw/zinc/41/13/51/686411351.db2.gz XEYIZGKWVMASMM-WDEREUQCSA-N 1 0 332.368 -1.768 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086977987 686411059 /nfs/dbraw/zinc/41/10/59/686411059.db2.gz XSJNUIHWWSHXFR-ADEWGFFLSA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086977988 686411406 /nfs/dbraw/zinc/41/14/06/686411406.db2.gz XSJNUIHWWSHXFR-ZMLRMANQSA-N 1 0 346.395 -1.380 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)o1 ZINC001086977992 686411271 /nfs/dbraw/zinc/41/12/71/686411271.db2.gz XWHNAVZPTSIWII-NWDGAFQWSA-N 1 0 347.379 -1.276 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001086978063 686411307 /nfs/dbraw/zinc/41/13/07/686411307.db2.gz BTHWMBMVQNIFHO-WCQYABFASA-N 1 0 346.395 -1.285 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)[nH]1 ZINC001086978319 686411054 /nfs/dbraw/zinc/41/10/54/686411054.db2.gz PIPHTUQJIBANTJ-NWDGAFQWSA-N 1 0 346.395 -1.541 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086978398 686411110 /nfs/dbraw/zinc/41/11/10/686411110.db2.gz UQBLWLUNTYBKGN-NWDGAFQWSA-N 1 0 346.395 -1.285 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)[nH]1 ZINC001086978528 686411383 /nfs/dbraw/zinc/41/13/83/686411383.db2.gz BFBJJQYMXHUZSW-QWHCGFSZSA-N 1 0 333.396 -1.034 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001086978685 686411101 /nfs/dbraw/zinc/41/11/01/686411101.db2.gz KOEDNGWTMKVWQE-UONOGXRCSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086979024 686411532 /nfs/dbraw/zinc/41/15/32/686411532.db2.gz DXPDQFXOARFVBV-WDEREUQCSA-N 1 0 333.356 -2.524 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cnn(C)c1 ZINC001086979126 686411462 /nfs/dbraw/zinc/41/14/62/686411462.db2.gz KDBQHBMCESUDHO-KGYLQXTDSA-N 1 0 334.384 -1.628 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cnn(C)c1 ZINC001086979127 686411198 /nfs/dbraw/zinc/41/11/98/686411198.db2.gz KDBQHBMCESUDHO-WCFLWFBJSA-N 1 0 334.384 -1.628 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086979276 686411218 /nfs/dbraw/zinc/41/12/18/686411218.db2.gz SEWVIWAXQYANPC-ADEWGFFLSA-N 1 0 347.383 -2.135 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086979277 686411127 /nfs/dbraw/zinc/41/11/27/686411127.db2.gz SEWVIWAXQYANPC-ZMLRMANQSA-N 1 0 347.383 -2.135 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1c1cnn(C)c1 ZINC001086979669 686411507 /nfs/dbraw/zinc/41/15/07/686411507.db2.gz MAKSGHHBFGNFKS-NWDGAFQWSA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086980205 686412980 /nfs/dbraw/zinc/41/29/80/686412980.db2.gz QQVDAVNOHYKFFW-JFILPPLUSA-N 1 0 333.392 -1.174 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001086980629 686413017 /nfs/dbraw/zinc/41/30/17/686413017.db2.gz LSDWQTIQSROMOK-QWHCGFSZSA-N 1 0 342.421 -1.659 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001086981040 686412754 /nfs/dbraw/zinc/41/27/54/686412754.db2.gz LQSLBAIMRLVJCQ-FPMFFAJLSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001086981041 686413041 /nfs/dbraw/zinc/41/30/41/686413041.db2.gz LQSLBAIMRLVJCQ-KWCYVHTRSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086981064 686413266 /nfs/dbraw/zinc/41/32/66/686413266.db2.gz MUORYHZOMIQTRE-KGYLQXTDSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086981065 686413235 /nfs/dbraw/zinc/41/32/35/686413235.db2.gz MUORYHZOMIQTRE-WCFLWFBJSA-N 1 0 348.407 -1.732 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086981141 686413289 /nfs/dbraw/zinc/41/32/89/686413289.db2.gz QXAXKZOWFCCYMO-KGYLQXTDSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086981142 686413373 /nfs/dbraw/zinc/41/33/73/686413373.db2.gz QXAXKZOWFCCYMO-WCFLWFBJSA-N 1 0 346.395 -1.530 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086981335 686412916 /nfs/dbraw/zinc/41/29/16/686412916.db2.gz DHJHINGHPBAION-NWDGAFQWSA-N 1 0 332.368 -1.919 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cnn(C)c1 ZINC001086981684 686412805 /nfs/dbraw/zinc/41/28/05/686412805.db2.gz YAAMONVQQANRGV-FPMFFAJLSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cnn(C)c1 ZINC001086981685 686413296 /nfs/dbraw/zinc/41/32/96/686413296.db2.gz YAAMONVQQANRGV-KWCYVHTRSA-N 1 0 333.396 -1.023 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086981967 686412959 /nfs/dbraw/zinc/41/29/59/686412959.db2.gz NAMUJLJEULIXMM-FPMFFAJLSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086981968 686412924 /nfs/dbraw/zinc/41/29/24/686412924.db2.gz NAMUJLJEULIXMM-KWCYVHTRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086982520 686411262 /nfs/dbraw/zinc/41/12/62/686411262.db2.gz NWVKHFOZDYODLF-KGYLQXTDSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086982521 686411147 /nfs/dbraw/zinc/41/11/47/686411147.db2.gz NWVKHFOZDYODLF-WCFLWFBJSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2[NH2+]CCO)cn1 ZINC001086982905 686411081 /nfs/dbraw/zinc/41/10/81/686411081.db2.gz KVSGAVJURIRENQ-GXTWGEPZSA-N 1 0 346.391 -1.296 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1c1cnn(C)c1 ZINC001086983107 686411187 /nfs/dbraw/zinc/41/11/87/686411187.db2.gz XIWBPLYMSQBDGH-SDDRHHMPSA-N 1 0 334.380 -1.078 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086983239 686411242 /nfs/dbraw/zinc/41/12/42/686411242.db2.gz CRDDFAWQRYJCNP-WDEREUQCSA-N 1 0 347.379 -1.160 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086983408 686411089 /nfs/dbraw/zinc/41/10/89/686411089.db2.gz NMQKPJFTWCYIHQ-NWDGAFQWSA-N 1 0 345.363 -1.401 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086983424 686411940 /nfs/dbraw/zinc/41/19/40/686411940.db2.gz OIKBNISOMHWDBT-FRRDWIJNSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086983425 686411971 /nfs/dbraw/zinc/41/19/71/686411971.db2.gz OIKBNISOMHWDBT-RWMBFGLXSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086983506 686412228 /nfs/dbraw/zinc/41/22/28/686412228.db2.gz TUVHRQSTERQBBN-WDEREUQCSA-N 1 0 336.396 -1.699 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086983561 686411934 /nfs/dbraw/zinc/41/19/34/686411934.db2.gz WOTYJXZYTOQBNS-HZSPNIEDSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086983562 686412081 /nfs/dbraw/zinc/41/20/81/686412081.db2.gz WOTYJXZYTOQBNS-MELADBBJSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2[NH2+]CCO)cn1 ZINC001086983662 686412154 /nfs/dbraw/zinc/41/21/54/686412154.db2.gz AEBPQKAPOZSTKO-BFHYXJOUSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086983770 686412115 /nfs/dbraw/zinc/41/21/15/686412115.db2.gz HPLOVDILZXCOAD-YNEHKIRRSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086984094 686412044 /nfs/dbraw/zinc/41/20/44/686412044.db2.gz ZPCNQNDYZGKHHD-NWDGAFQWSA-N 1 0 345.363 -1.401 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)S(C)(=O)=O ZINC001086984682 686412376 /nfs/dbraw/zinc/41/23/76/686412376.db2.gz XWZSIFTYSNUEPL-KGYLQXTDSA-N 1 0 344.437 -1.271 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)S(C)(=O)=O ZINC001086984683 686411999 /nfs/dbraw/zinc/41/19/99/686411999.db2.gz XWZSIFTYSNUEPL-WCFLWFBJSA-N 1 0 344.437 -1.271 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086985267 686412405 /nfs/dbraw/zinc/41/24/05/686412405.db2.gz ATSSCOWOVTUQAA-PTOFAABTSA-N 1 0 332.368 -1.390 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086985268 686412310 /nfs/dbraw/zinc/41/23/10/686412310.db2.gz ATSSCOWOVTUQAA-UBHAPETDSA-N 1 0 332.368 -1.390 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1c1cnn(C)c1 ZINC001086985347 686412369 /nfs/dbraw/zinc/41/23/69/686412369.db2.gz GBYQLVLOXAAHHG-QWHCGFSZSA-N 1 0 333.396 -1.081 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086985502 686411968 /nfs/dbraw/zinc/41/19/68/686411968.db2.gz NSQOIVPIJHENPX-QWHCGFSZSA-N 1 0 349.395 -2.108 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086985708 686412175 /nfs/dbraw/zinc/41/21/75/686412175.db2.gz ZLUAQCYVXHTDHW-DMDPSCGWSA-N 1 0 346.395 -1.000 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086985709 686412512 /nfs/dbraw/zinc/41/25/12/686412512.db2.gz ZLUAQCYVXHTDHW-GMXVVIOVSA-N 1 0 346.395 -1.000 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086985873 686412165 /nfs/dbraw/zinc/41/21/65/686412165.db2.gz JDLMFMPJIVAIOS-KGYLQXTDSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086985874 686411990 /nfs/dbraw/zinc/41/19/90/686411990.db2.gz JDLMFMPJIVAIOS-WCFLWFBJSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2[NH2+][C@@H]2CCNC2=O)cn1 ZINC001086986025 686412412 /nfs/dbraw/zinc/41/24/12/686412412.db2.gz RKKMFJYCZQFMIL-DMDPSCGWSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2[NH2+][C@H]2CCNC2=O)cn1 ZINC001086986026 686412356 /nfs/dbraw/zinc/41/23/56/686412356.db2.gz RKKMFJYCZQFMIL-GMXVVIOVSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086986102 686412481 /nfs/dbraw/zinc/41/24/81/686412481.db2.gz WGPDLKBZGUJOBG-FPMFFAJLSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086986103 686411920 /nfs/dbraw/zinc/41/19/20/686411920.db2.gz WGPDLKBZGUJOBG-KWCYVHTRSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cncn3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086986582 686412439 /nfs/dbraw/zinc/41/24/39/686412439.db2.gz WUWMNQMGKNSCLR-NWDGAFQWSA-N 1 0 331.380 -1.163 20 0 EAADRO Cc1cncn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086987876 686412278 /nfs/dbraw/zinc/41/22/78/686412278.db2.gz RZMSMDUUNNZXJC-UONOGXRCSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086988531 686412389 /nfs/dbraw/zinc/41/23/89/686412389.db2.gz AZEBTHJFINXEGN-HWWQOWPSSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086988532 686412322 /nfs/dbraw/zinc/41/23/22/686412322.db2.gz AZEBTHJFINXEGN-OZVIIMIRSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001086988714 686412133 /nfs/dbraw/zinc/41/21/33/686412133.db2.gz NLBBLBHKUSEIBS-WOSRLPQWSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001086988715 686412257 /nfs/dbraw/zinc/41/22/57/686412257.db2.gz NLBBLBHKUSEIBS-ZENOOKHLSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2[NH2+]CCO)cn1 ZINC001086988781 686412421 /nfs/dbraw/zinc/41/24/21/686412421.db2.gz RHDUQCSHNFQLBQ-QWHCGFSZSA-N 1 0 346.391 -1.296 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3csnn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086989736 686412499 /nfs/dbraw/zinc/41/24/99/686412499.db2.gz RCBMOBWWXKROQB-VHSXEESVSA-N 1 0 335.393 -1.045 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086990443 686411950 /nfs/dbraw/zinc/41/19/50/686411950.db2.gz CMEYQCXFUVTZKT-WDEREUQCSA-N 1 0 332.368 -1.470 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086990530 686412459 /nfs/dbraw/zinc/41/24/59/686412459.db2.gz HLQBTOUPWRRAEK-ADEWGFFLSA-N 1 0 346.395 -1.082 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086990531 686411975 /nfs/dbraw/zinc/41/19/75/686411975.db2.gz HLQBTOUPWRRAEK-ZMLRMANQSA-N 1 0 346.395 -1.082 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(=O)n3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086990926 686412027 /nfs/dbraw/zinc/41/20/27/686412027.db2.gz AJMJNTLIVPVAQZ-WDEREUQCSA-N 1 0 347.379 -1.458 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2[NH2+]CCO)cn1 ZINC001086990962 686412172 /nfs/dbraw/zinc/41/21/72/686412172.db2.gz CMJBYYKPPDPPSG-MJBXVCDLSA-N 1 0 335.408 -1.083 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086991014 686412054 /nfs/dbraw/zinc/41/20/54/686412054.db2.gz FUXRIJMZSJKBNP-XQQFMLRXSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086991039 686412474 /nfs/dbraw/zinc/41/24/74/686412474.db2.gz GVSXZLPXKQLKFY-QJPTWQEYSA-N 1 0 349.395 -2.187 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086991040 686411912 /nfs/dbraw/zinc/41/19/12/686411912.db2.gz GVSXZLPXKQLKFY-TUAOUCFPSA-N 1 0 349.395 -2.187 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086991079 686412381 /nfs/dbraw/zinc/41/23/81/686412381.db2.gz JDWGQIFMIQNXHS-GRYCIOLGSA-N 1 0 334.380 -2.075 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086991080 686411927 /nfs/dbraw/zinc/41/19/27/686411927.db2.gz JDWGQIFMIQNXHS-SDDRHHMPSA-N 1 0 334.380 -2.075 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CCO)cn1 ZINC001086991270 686412520 /nfs/dbraw/zinc/41/25/20/686412520.db2.gz TWZUQESTJUBGEM-XQQFMLRXSA-N 1 0 336.396 -1.680 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2[NH2+]CCO)cn1 ZINC001086991271 686411965 /nfs/dbraw/zinc/41/19/65/686411965.db2.gz TWZUQESTJUBGEM-YNEHKIRRSA-N 1 0 336.396 -1.680 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1c1cnn(C)c1 ZINC001086991355 686412022 /nfs/dbraw/zinc/41/20/22/686412022.db2.gz XBZQZNBBGYEQHR-UONOGXRCSA-N 1 0 334.424 -1.244 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086992232 686412448 /nfs/dbraw/zinc/41/24/48/686412448.db2.gz PWYFTQREDJYYBY-VHSXEESVSA-N 1 0 333.356 -2.373 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086992266 686412015 /nfs/dbraw/zinc/41/20/15/686412015.db2.gz REDSVKQNGKTVCW-HZSPNIEDSA-N 1 0 335.408 -1.225 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086992267 686412127 /nfs/dbraw/zinc/41/21/27/686412127.db2.gz REDSVKQNGKTVCW-MELADBBJSA-N 1 0 335.408 -1.225 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cnn(C)c1 ZINC001086992271 686412252 /nfs/dbraw/zinc/41/22/52/686412252.db2.gz RMLFPRPWQNKURG-ADEWGFFLSA-N 1 0 334.384 -1.478 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cnn(C)c1 ZINC001086992272 686411923 /nfs/dbraw/zinc/41/19/23/686411923.db2.gz RMLFPRPWQNKURG-ZMLRMANQSA-N 1 0 334.384 -1.478 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086992330 686412200 /nfs/dbraw/zinc/41/22/00/686412200.db2.gz UMDBWQDTVRCYMP-FRRDWIJNSA-N 1 0 348.407 -1.732 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086992331 686412087 /nfs/dbraw/zinc/41/20/87/686412087.db2.gz UMDBWQDTVRCYMP-RWMBFGLXSA-N 1 0 348.407 -1.732 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086992422 686412492 /nfs/dbraw/zinc/41/24/92/686412492.db2.gz YOXDPKLFWKYFAR-DVVUODLYSA-N 1 0 347.383 -1.985 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086992423 686412106 /nfs/dbraw/zinc/41/21/06/686412106.db2.gz YOXDPKLFWKYFAR-INTQDDNPSA-N 1 0 347.383 -1.985 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086992869 686412425 /nfs/dbraw/zinc/41/24/25/686412425.db2.gz VDRPJJPYJVHPJM-RLPMIEJPSA-N 1 0 333.392 -1.318 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2[NH2+]CCO)cn1 ZINC001086993031 686412065 /nfs/dbraw/zinc/41/20/65/686412065.db2.gz CMJBYYKPPDPPSG-BFHYXJOUSA-N 1 0 335.408 -1.083 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086993070 686412074 /nfs/dbraw/zinc/41/20/74/686412074.db2.gz FUXRIJMZSJKBNP-YNEHKIRRSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2[NH2+]CCO)cn1 ZINC001086993520 686412434 /nfs/dbraw/zinc/41/24/34/686412434.db2.gz DKUROCBYKBHNHV-WCQYABFASA-N 1 0 332.364 -1.307 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086993883 686412213 /nfs/dbraw/zinc/41/22/13/686412213.db2.gz XNROZZZUENVEFG-CMPLNLGQSA-N 1 0 345.363 -1.814 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086993885 686413282 /nfs/dbraw/zinc/41/32/82/686413282.db2.gz XSGUOQMVDKYMRX-YWPYICTPSA-N 1 0 339.371 -1.082 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086993886 686413351 /nfs/dbraw/zinc/41/33/51/686413351.db2.gz XSGUOQMVDKYMRX-ZOWXZIJZSA-N 1 0 339.371 -1.082 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCCNC2=O)cn1 ZINC001086993943 686413357 /nfs/dbraw/zinc/41/33/57/686413357.db2.gz AKTAZGSCGTUSPW-QJPTWQEYSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCCNC2=O)cn1 ZINC001086993944 686413155 /nfs/dbraw/zinc/41/31/55/686413155.db2.gz AKTAZGSCGTUSPW-SDDRHHMPSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cnn(C)c2)cn1 ZINC001086993955 686412929 /nfs/dbraw/zinc/41/29/29/686412929.db2.gz AURFIELLQWXTGF-QWHCGFSZSA-N 1 0 331.380 -1.277 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001086993999 686413053 /nfs/dbraw/zinc/41/30/53/686413053.db2.gz DHIRVXVXBQPZTJ-GARJFASQSA-N 1 0 348.363 -2.405 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001086994000 686412741 /nfs/dbraw/zinc/41/27/41/686412741.db2.gz DHIRVXVXBQPZTJ-HBNTYKKESA-N 1 0 348.363 -2.405 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CC(=O)N2CCCC2)cn1 ZINC001086994039 686412832 /nfs/dbraw/zinc/41/28/32/686412832.db2.gz FUWSRGDWJDVPBT-QWHCGFSZSA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001086994080 686412811 /nfs/dbraw/zinc/41/28/11/686412811.db2.gz HNWUYNFWSYKFKE-QWHCGFSZSA-N 1 0 331.380 -1.277 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCCN(C)C2=O)cn1 ZINC001086994084 686413313 /nfs/dbraw/zinc/41/33/13/686413313.db2.gz HVEFZTRTQLUDSC-RWMBFGLXSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCCN(C)C2=O)cn1 ZINC001086994085 686412822 /nfs/dbraw/zinc/41/28/22/686412822.db2.gz HVEFZTRTQLUDSC-YNEHKIRRSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCc2ccnn2C)cn1 ZINC001086994138 686412854 /nfs/dbraw/zinc/41/28/54/686412854.db2.gz JTGDEVPCOLXAKT-UONOGXRCSA-N 1 0 345.407 -1.234 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cnn(C)c1 ZINC001086994156 686413307 /nfs/dbraw/zinc/41/33/07/686413307.db2.gz KJARWZCGUROBCS-QWHCGFSZSA-N 1 0 346.395 -1.399 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]Cc2cnnn2C)cn1 ZINC001086994181 686412843 /nfs/dbraw/zinc/41/28/43/686412843.db2.gz MCGJCRCPRAVASS-NWDGAFQWSA-N 1 0 332.368 -1.882 20 0 EAADRO Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cnn(C)c2)cn1 ZINC001086994185 686413321 /nfs/dbraw/zinc/41/33/21/686413321.db2.gz MHRMZQXITLQBTR-UONOGXRCSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CC(=O)N2CCC2)cn1 ZINC001086994346 686413203 /nfs/dbraw/zinc/41/32/03/686413203.db2.gz WDWMWKVUNQIZHP-NWDGAFQWSA-N 1 0 334.380 -1.978 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001086994355 686413215 /nfs/dbraw/zinc/41/32/15/686413215.db2.gz WQTJDMZGPOTARI-QWHCGFSZSA-N 1 0 331.380 -1.277 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCN2CCNC2=O)cn1 ZINC001086994393 686413272 /nfs/dbraw/zinc/41/32/72/686413272.db2.gz XYRZWQNDGPYKQS-NWDGAFQWSA-N 1 0 349.395 -2.185 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCN2CCCC2=O)cn1 ZINC001086994420 686412485 /nfs/dbraw/zinc/41/24/85/686412485.db2.gz AABMWSRGWGRXRP-QWHCGFSZSA-N 1 0 348.407 -1.588 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086994604 686414259 /nfs/dbraw/zinc/41/42/59/686414259.db2.gz KLVDNLDHFVVJMV-GARJFASQSA-N 1 0 335.368 -2.529 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086994605 686414266 /nfs/dbraw/zinc/41/42/66/686414266.db2.gz KLVDNLDHFVVJMV-HBNTYKKESA-N 1 0 335.368 -2.529 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001086994693 686414285 /nfs/dbraw/zinc/41/42/85/686414285.db2.gz OXKHABXOGRCXLB-QWHCGFSZSA-N 1 0 331.380 -1.314 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+]CCn2cncn2)cn1 ZINC001086994825 686414214 /nfs/dbraw/zinc/41/42/14/686414214.db2.gz VPNZIOUNMPMWQO-NWDGAFQWSA-N 1 0 332.368 -1.919 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cnn(C)c2)C1=O ZINC001086994860 686414276 /nfs/dbraw/zinc/41/42/76/686414276.db2.gz XYJHNMAJDLLEPM-RWMBFGLXSA-N 1 0 348.407 -1.590 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cnn(C)c2)C1=O ZINC001086994861 686414130 /nfs/dbraw/zinc/41/41/30/686414130.db2.gz XYJHNMAJDLLEPM-YNEHKIRRSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@@H]2CCN(C)C2=O)cn1 ZINC001086994879 686413916 /nfs/dbraw/zinc/41/39/16/686413916.db2.gz ZIWAPETXVXIGHB-QJPTWQEYSA-N 1 0 334.380 -1.980 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2[NH2+][C@H]2CCN(C)C2=O)cn1 ZINC001086994880 686414250 /nfs/dbraw/zinc/41/42/50/686414250.db2.gz ZIWAPETXVXIGHB-SDDRHHMPSA-N 1 0 334.380 -1.980 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086994950 686414150 /nfs/dbraw/zinc/41/41/50/686414150.db2.gz DEWFNLMCLJGTGK-ADEWGFFLSA-N 1 0 348.407 -1.557 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001086994951 686414295 /nfs/dbraw/zinc/41/42/95/686414295.db2.gz DEWFNLMCLJGTGK-ZMLRMANQSA-N 1 0 348.407 -1.557 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cnn(C)c1 ZINC001086994972 686413719 /nfs/dbraw/zinc/41/37/19/686413719.db2.gz FOOHCBUKPVXCKZ-KGYLQXTDSA-N 1 0 335.408 -1.050 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cnn(C)c1 ZINC001086994973 686413951 /nfs/dbraw/zinc/41/39/51/686413951.db2.gz FOOHCBUKPVXCKZ-WCFLWFBJSA-N 1 0 335.408 -1.050 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086995163 686414093 /nfs/dbraw/zinc/41/40/93/686414093.db2.gz PCZYJIKNJDVREU-WDEREUQCSA-N 1 0 347.379 -1.458 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086995164 686414305 /nfs/dbraw/zinc/41/43/05/686414305.db2.gz PDMTXOCWAOVDTM-OZVIIMIRSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086995278 686414222 /nfs/dbraw/zinc/41/42/22/686414222.db2.gz VHIIYFSPUJQTQH-WDEREUQCSA-N 1 0 334.380 -1.945 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2[NH2+]CCO)cn1 ZINC001086995297 686413808 /nfs/dbraw/zinc/41/38/08/686413808.db2.gz WECHIBSEURBAHR-ZENOOKHLSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086995394 686414104 /nfs/dbraw/zinc/41/41/04/686414104.db2.gz AAGJCJLKKOJCLM-GXSJLCMTSA-N 1 0 335.343 -1.035 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086996501 686413128 /nfs/dbraw/zinc/41/31/28/686413128.db2.gz HWNLLKUGUHEYBI-WOSRLPQWSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001086996502 686413278 /nfs/dbraw/zinc/41/32/78/686413278.db2.gz HWNLLKUGUHEYBI-ZENOOKHLSA-N 1 0 335.408 -1.177 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086996660 686413082 /nfs/dbraw/zinc/41/30/82/686413082.db2.gz PJJXORHRCIVFDP-HWWQOWPSSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086996661 686413059 /nfs/dbraw/zinc/41/30/59/686413059.db2.gz PJJXORHRCIVFDP-OZVIIMIRSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086997098 686413003 /nfs/dbraw/zinc/41/30/03/686413003.db2.gz KTADMKFBYDDXSB-NOOOWODRSA-N 1 0 334.380 -2.089 20 0 EAADRO Cc1ccn(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001086997232 686413029 /nfs/dbraw/zinc/41/30/29/686413029.db2.gz SUNZJYGAUTUDGT-UONOGXRCSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086997604 686413325 /nfs/dbraw/zinc/41/33/25/686413325.db2.gz OMFLEZPMWIGUAH-QWHCGFSZSA-N 1 0 346.395 -1.460 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086998757 686413300 /nfs/dbraw/zinc/41/33/00/686413300.db2.gz CMFGLRFBABOQCV-QWHCGFSZSA-N 1 0 329.364 -1.107 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1c1cnn(C)c1 ZINC001086999316 686412862 /nfs/dbraw/zinc/41/28/62/686412862.db2.gz AKSNIJFNCFDWCJ-SDDRHHMPSA-N 1 0 334.380 -1.078 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086999468 686412763 /nfs/dbraw/zinc/41/27/63/686412763.db2.gz HTMROFJZHZWAIZ-QWHCGFSZSA-N 1 0 331.380 -1.245 20 0 EAADRO Cc1ccnn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001087000164 686413770 /nfs/dbraw/zinc/41/37/70/686413770.db2.gz JKAABLRITGLMHL-UONOGXRCSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087001451 686413778 /nfs/dbraw/zinc/41/37/78/686413778.db2.gz VMDQOOFMYVLHMC-FRRDWIJNSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087001452 686413886 /nfs/dbraw/zinc/41/38/86/686413886.db2.gz VMDQOOFMYVLHMC-RWMBFGLXSA-N 1 0 348.407 -1.542 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2[NH2+]CCO)cn1 ZINC001087001589 686413866 /nfs/dbraw/zinc/41/38/66/686413866.db2.gz BQCWCVJMPZPSDI-HZSPNIEDSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2[NH2+]CCO)cn1 ZINC001087001590 686414231 /nfs/dbraw/zinc/41/42/31/686414231.db2.gz BQCWCVJMPZPSDI-MELADBBJSA-N 1 0 335.408 -1.035 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001087001726 686414165 /nfs/dbraw/zinc/41/41/65/686414165.db2.gz LCOSURHUIADZRO-QWHCGFSZSA-N 1 0 349.391 -1.651 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002128 686413757 /nfs/dbraw/zinc/41/37/57/686413757.db2.gz JFGPHIZEZCHEEN-SUZMYJTESA-N 1 0 346.395 -1.380 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002129 686413902 /nfs/dbraw/zinc/41/39/02/686413902.db2.gz JFGPHIZEZCHEEN-XHVZSJERSA-N 1 0 346.395 -1.380 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1c1cnn(C)c1 ZINC001087002166 686414291 /nfs/dbraw/zinc/41/42/91/686414291.db2.gz LEUCTLKQUUDQPT-NWDGAFQWSA-N 1 0 334.380 -1.124 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087002217 686414032 /nfs/dbraw/zinc/41/40/32/686414032.db2.gz NTXYBTIHXHXZSX-CMPLNLGQSA-N 1 0 332.368 -1.768 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002545 686414123 /nfs/dbraw/zinc/41/41/23/686414123.db2.gz CILNKKDMPXPZCX-PTOFAABTSA-N 1 0 333.352 -1.125 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002546 686413878 /nfs/dbraw/zinc/41/38/78/686413878.db2.gz CILNKKDMPXPZCX-UBHAPETDSA-N 1 0 333.352 -1.125 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2[NH2+][C@@H]2CCNC2=O)cn1 ZINC001087002574 686414025 /nfs/dbraw/zinc/41/40/25/686414025.db2.gz FCTHFBYVVSYBMR-QJPTWQEYSA-N 1 0 344.379 -1.376 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2[NH2+][C@H]2CCNC2=O)cn1 ZINC001087002575 686414198 /nfs/dbraw/zinc/41/41/98/686414198.db2.gz FCTHFBYVVSYBMR-SDDRHHMPSA-N 1 0 344.379 -1.376 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002747 686414115 /nfs/dbraw/zinc/41/41/15/686414115.db2.gz OCDUCQXDEKWOES-DVVUODLYSA-N 1 0 332.368 -1.390 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002748 686414071 /nfs/dbraw/zinc/41/40/71/686414071.db2.gz OCDUCQXDEKWOES-INTQDDNPSA-N 1 0 332.368 -1.390 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002774 686414061 /nfs/dbraw/zinc/41/40/61/686414061.db2.gz PEWBHCNWECQZMV-QJPTWQEYSA-N 1 0 346.395 -1.000 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087002775 686413829 /nfs/dbraw/zinc/41/38/29/686413829.db2.gz PEWBHCNWECQZMV-SDDRHHMPSA-N 1 0 346.395 -1.000 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnon3)C[C@H]2[NH2+][C@@H]2CCNC2=O)cn1 ZINC001087002908 686413934 /nfs/dbraw/zinc/41/39/34/686413934.db2.gz WNTUEDLVAKUPOA-DMDPSCGWSA-N 1 0 345.363 -1.111 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cnon3)C[C@H]2[NH2+][C@H]2CCNC2=O)cn1 ZINC001087002909 686414188 /nfs/dbraw/zinc/41/41/88/686414188.db2.gz WNTUEDLVAKUPOA-GMXVVIOVSA-N 1 0 345.363 -1.111 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3ccncn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087002964 686414241 /nfs/dbraw/zinc/41/42/41/686414241.db2.gz ZOYAWBTVZUEZAQ-WCQYABFASA-N 1 0 329.364 -1.107 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1cnn(C)c1 ZINC001087003252 686413945 /nfs/dbraw/zinc/41/39/45/686413945.db2.gz MSMZDBLLMCFCLJ-FPMFFAJLSA-N 1 0 348.411 -1.238 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1c1cnn(C)c1 ZINC001087003253 686413927 /nfs/dbraw/zinc/41/39/27/686413927.db2.gz MSMZDBLLMCFCLJ-KWCYVHTRSA-N 1 0 348.411 -1.238 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]2[NH2+]CCO)cn1 ZINC001087003286 686413986 /nfs/dbraw/zinc/41/39/86/686413986.db2.gz OLCHZRKUFRYJRR-QWHCGFSZSA-N 1 0 334.384 -1.627 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3ncccn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087003295 686413837 /nfs/dbraw/zinc/41/38/37/686413837.db2.gz OYDCQAQKWPTUEY-NWDGAFQWSA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cccnn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087003299 686413978 /nfs/dbraw/zinc/41/39/78/686413978.db2.gz PAWGFXGKKUNKDB-WCQYABFASA-N 1 0 329.364 -1.107 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087003375 686413908 /nfs/dbraw/zinc/41/39/08/686413908.db2.gz UOCMCISBZZMQBN-NWDGAFQWSA-N 1 0 347.383 -2.134 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087003574 686414015 /nfs/dbraw/zinc/41/40/15/686414015.db2.gz DEPPAFUPYJJOOT-NWDGAFQWSA-N 1 0 331.380 -1.245 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001087003652 686413799 /nfs/dbraw/zinc/41/37/99/686413799.db2.gz IOKXTXUCSHTYRF-NWDGAFQWSA-N 1 0 346.395 -1.285 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001087004072 686413893 /nfs/dbraw/zinc/41/38/93/686413893.db2.gz DPEVVHAXCCGMIS-WCQYABFASA-N 1 0 347.379 -1.276 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087005184 686414044 /nfs/dbraw/zinc/41/40/44/686414044.db2.gz PRLNFIAFAZHQEV-ADEWGFFLSA-N 1 0 346.395 -1.461 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087005185 686413991 /nfs/dbraw/zinc/41/39/91/686413991.db2.gz PRLNFIAFAZHQEV-ZMLRMANQSA-N 1 0 346.395 -1.461 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087005303 686413789 /nfs/dbraw/zinc/41/37/89/686413789.db2.gz WPJFZNBKCYLUAC-WDEREUQCSA-N 1 0 332.368 -1.850 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087005529 686413745 /nfs/dbraw/zinc/41/37/45/686413745.db2.gz HVSZLYNRYPNQQE-UONOGXRCSA-N 1 0 345.407 -1.234 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087006835 686413850 /nfs/dbraw/zinc/41/38/50/686413850.db2.gz YZUMJDCCKJDICS-SDDRHHMPSA-N 1 0 334.380 -1.932 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087008389 686414704 /nfs/dbraw/zinc/41/47/04/686414704.db2.gz BZJJDZRJZLWQMA-NWDGAFQWSA-N 1 0 332.368 -1.919 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087008505 686414942 /nfs/dbraw/zinc/41/49/42/686414942.db2.gz JQQSWCYCDYPSGY-KGYLQXTDSA-N 1 0 346.395 -1.530 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087008506 686414695 /nfs/dbraw/zinc/41/46/95/686414695.db2.gz JQQSWCYCDYPSGY-WCFLWFBJSA-N 1 0 346.395 -1.530 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2[NH2+]CCO)cn1 ZINC001087008569 686415081 /nfs/dbraw/zinc/41/50/81/686415081.db2.gz MSMVIFKZNYMOTP-GXTWGEPZSA-N 1 0 346.391 -1.296 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1cnn(C)c1 ZINC001087008694 686415068 /nfs/dbraw/zinc/41/50/68/686415068.db2.gz SPZDEUNDBKFLRN-NWDGAFQWSA-N 1 0 334.380 -1.124 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cnn(C)c1 ZINC001087008742 686414812 /nfs/dbraw/zinc/41/48/12/686414812.db2.gz WFNOZNUBAKVPSU-FPMFFAJLSA-N 1 0 333.396 -1.023 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cnn(C)c1 ZINC001087008743 686415058 /nfs/dbraw/zinc/41/50/58/686415058.db2.gz WFNOZNUBAKVPSU-KWCYVHTRSA-N 1 0 333.396 -1.023 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001087009224 686414805 /nfs/dbraw/zinc/41/48/05/686414805.db2.gz WLYYMOXZYKCWOM-QWHCGFSZSA-N 1 0 349.391 -1.555 20 0 EAADRO Cc1nccn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001087009614 686414626 /nfs/dbraw/zinc/41/46/26/686414626.db2.gz PMWLUBWLDVICKR-UONOGXRCSA-N 1 0 345.407 -1.005 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001087009694 686414753 /nfs/dbraw/zinc/41/47/53/686414753.db2.gz SVCFGFICYDWGRU-WCQYABFASA-N 1 0 331.380 -1.163 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1c1cnn(C)c1 ZINC001087010773 686414651 /nfs/dbraw/zinc/41/46/51/686414651.db2.gz QGZFKHJYTIYWNE-NWDGAFQWSA-N 1 0 346.395 -1.285 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2[NH2+]CCO)cn1 ZINC001087011349 686415141 /nfs/dbraw/zinc/41/51/41/686415141.db2.gz RPBPLUZQXOSZBF-QWHCGFSZSA-N 1 0 348.407 -1.353 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001087012042 686415039 /nfs/dbraw/zinc/41/50/39/686415039.db2.gz BYTKZRGYVCWZPQ-KGYLQXTDSA-N 1 0 349.391 -1.651 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2[NH2+]CCO)cn1 ZINC001087012043 686414683 /nfs/dbraw/zinc/41/46/83/686414683.db2.gz BYTKZRGYVCWZPQ-WCFLWFBJSA-N 1 0 349.391 -1.651 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001087012344 686414608 /nfs/dbraw/zinc/41/46/08/686414608.db2.gz RTBMCJDUFXWJJH-WDEREUQCSA-N 1 0 333.352 -1.205 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087012415 686414874 /nfs/dbraw/zinc/41/48/74/686414874.db2.gz WRYBKSATWATKFC-QWHCGFSZSA-N 1 0 331.380 -1.314 20 0 EAADRO CCO[C@@H]1CN(C(=O)COC)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001087013923 686413730 /nfs/dbraw/zinc/41/37/30/686413730.db2.gz SFXRFAUEFHTJAE-GHMZBOCLSA-N 1 0 327.385 -1.292 20 0 EAADRO CCO[C@@H]1CN(C(=O)COC)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001087014242 686414236 /nfs/dbraw/zinc/41/42/36/686414236.db2.gz GHOQKJYBHQDVPI-GRYCIOLGSA-N 1 0 327.381 -1.109 20 0 EAADRO CCO[C@@H]1CN(C(=O)COC)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001087014243 686413844 /nfs/dbraw/zinc/41/38/44/686413844.db2.gz GHOQKJYBHQDVPI-IJLUTSLNSA-N 1 0 327.381 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/nfs/dbraw/zinc/07/14/21/685071421.db2.gz UNTQBKVCFDKYIU-VWYCJHECSA-N 1 0 349.395 -1.154 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256125 685080503 /nfs/dbraw/zinc/08/05/03/685080503.db2.gz ZMVUWZDEKLNZHD-NEPJUHHUSA-N 1 0 348.407 -1.129 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256126 685080944 /nfs/dbraw/zinc/08/09/44/685080944.db2.gz ZMVUWZDEKLNZHD-NWDGAFQWSA-N 1 0 348.407 -1.129 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256127 685080741 /nfs/dbraw/zinc/08/07/41/685080741.db2.gz ZMVUWZDEKLNZHD-RYUDHWBXSA-N 1 0 348.407 -1.129 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256128 685081055 /nfs/dbraw/zinc/08/10/55/685081055.db2.gz ZMVUWZDEKLNZHD-VXGBXAGGSA-N 1 0 348.407 -1.129 20 0 EAADRO Cn1nnc(C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[nH]2)n1 ZINC001087259335 685081277 /nfs/dbraw/zinc/08/12/77/685081277.db2.gz KEXAQIVORDLRBV-SECBINFHSA-N 1 0 348.367 -1.238 20 0 EAADRO Cn1nnc(C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[nH]2)n1 ZINC001087259336 685081419 /nfs/dbraw/zinc/08/14/19/685081419.db2.gz KEXAQIVORDLRBV-VIFPVBQESA-N 1 0 348.367 -1.238 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC001087260170 685082254 /nfs/dbraw/zinc/08/22/54/685082254.db2.gz APOZGAJSTXPZHE-UHFFFAOYSA-N 1 0 348.363 -1.381 20 0 EAADRO O=C(NCc1nc(C[NH2+]CC2CC2)cc(=O)[nH]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001087260214 685082582 /nfs/dbraw/zinc/08/25/82/685082582.db2.gz CTYQPDHRGLGVQO-JTQLQIEISA-N 1 0 348.363 -1.104 20 0 EAADRO CC(C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001087260384 685082403 /nfs/dbraw/zinc/08/24/03/685082403.db2.gz KIMOBMHLIINJML-VIFPVBQESA-N 1 0 336.352 -1.106 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)n1 ZINC001087260888 685083177 /nfs/dbraw/zinc/08/31/77/685083177.db2.gz ILLAPIWHBVMEOX-JTQLQIEISA-N 1 0 343.409 -1.058 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCN(C)S2(=O)=O)n1 ZINC001087260889 685083351 /nfs/dbraw/zinc/08/33/51/685083351.db2.gz ILLAPIWHBVMEOX-SNVBAGLBSA-N 1 0 343.409 -1.058 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2CC3(C2)NC(=O)NC3=O)n1 ZINC001087260973 685083373 /nfs/dbraw/zinc/08/33/73/685083373.db2.gz MUYYWZNNJGEGGS-UHFFFAOYSA-N 1 0 348.363 -1.104 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2cc(=O)n3[nH]cnc3n2)n1 ZINC001087261421 685082302 /nfs/dbraw/zinc/08/23/02/685082302.db2.gz JACCRJXLFUDHBM-UHFFFAOYSA-N 1 0 344.335 -1.047 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001087261971 685083035 /nfs/dbraw/zinc/08/30/35/685083035.db2.gz JEDGALIKRNEIQT-SECBINFHSA-N 1 0 329.382 -1.400 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001087261972 685082675 /nfs/dbraw/zinc/08/26/75/685082675.db2.gz JEDGALIKRNEIQT-VIFPVBQESA-N 1 0 329.382 -1.400 20 0 EAADRO CC(C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001087262007 685082449 /nfs/dbraw/zinc/08/24/49/685082449.db2.gz KRONEGBBQZBTJS-JTQLQIEISA-N 1 0 343.409 -1.012 20 0 EAADRO CC(C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001087262008 685082393 /nfs/dbraw/zinc/08/23/93/685082393.db2.gz KRONEGBBQZBTJS-SNVBAGLBSA-N 1 0 343.409 -1.012 20 0 EAADRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001087262053 685083964 /nfs/dbraw/zinc/08/39/64/685083964.db2.gz MSYYUCNLEBPBSH-UHFFFAOYSA-N 1 0 334.340 -1.702 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCc2nc(CN[C@@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262225 685084201 /nfs/dbraw/zinc/08/42/01/685084201.db2.gz VAJUPNDVXBOQDG-CMPLNLGQSA-N 1 0 348.407 -1.272 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262226 685083916 /nfs/dbraw/zinc/08/39/16/685083916.db2.gz VAJUPNDVXBOQDG-JQWIXIFHSA-N 1 0 348.407 -1.272 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262227 685083942 /nfs/dbraw/zinc/08/39/42/685083942.db2.gz VAJUPNDVXBOQDG-PWSUYJOCSA-N 1 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/nfs/dbraw/zinc/73/64/34/785736434.db2.gz STZQUPQHLHUKNN-NSHDSACASA-N 1 0 349.399 -1.344 20 0 EAADRO O=C(Cn1ncnn1)N1CCCCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001088314435 785737053 /nfs/dbraw/zinc/73/70/53/785737053.db2.gz YKUMIQPAWWHQMT-NEPJUHHUSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N1CCCCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001088314436 785737191 /nfs/dbraw/zinc/73/71/91/785737191.db2.gz YKUMIQPAWWHQMT-NWDGAFQWSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N1CCCCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001088314437 785736978 /nfs/dbraw/zinc/73/69/78/785736978.db2.gz YKUMIQPAWWHQMT-RYUDHWBXSA-N 1 0 349.395 -1.161 20 0 EAADRO O=C(Cn1ncnn1)N1CCCCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001088314438 785737005 /nfs/dbraw/zinc/73/70/05/785737005.db2.gz YKUMIQPAWWHQMT-VXGBXAGGSA-N 1 0 349.395 -1.161 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001088315875 785736655 /nfs/dbraw/zinc/73/66/55/785736655.db2.gz KIVFHAHMPCRAJM-JTQLQIEISA-N 1 0 337.384 -1.777 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001088315876 785736911 /nfs/dbraw/zinc/73/69/11/785736911.db2.gz KIVFHAHMPCRAJM-SNVBAGLBSA-N 1 0 337.384 -1.777 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCCCC[C@@H]([NH2+]CCO)C2)c1=O ZINC001088323697 785739194 /nfs/dbraw/zinc/73/91/94/785739194.db2.gz WCKWBXKIMUEVPS-CYBMUJFWSA-N 1 0 338.408 -1.100 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCCCC[C@H]([NH2+]CCO)C2)c1=O ZINC001088323698 785738724 /nfs/dbraw/zinc/73/87/24/785738724.db2.gz WCKWBXKIMUEVPS-ZDUSSCGKSA-N 1 0 338.408 -1.100 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CCOCC2=O)C1 ZINC001088327523 785740438 /nfs/dbraw/zinc/74/04/38/785740438.db2.gz OZWCZKPAIRVZOA-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN2CCOCC2=O)C1 ZINC001088327524 785739832 /nfs/dbraw/zinc/73/98/32/785739832.db2.gz OZWCZKPAIRVZOA-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001088328461 785739925 /nfs/dbraw/zinc/73/99/25/785739925.db2.gz VAZUMCGGTWZGKW-UWVGGRQHSA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001088328462 785740182 /nfs/dbraw/zinc/74/01/82/785740182.db2.gz VAZUMCGGTWZGKW-ZJUUUORDSA-N 1 0 325.369 -1.569 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001088338335 785743808 /nfs/dbraw/zinc/74/38/08/785743808.db2.gz BYIMHGNGFXPWIR-NEPJUHHUSA-N 1 0 338.412 -1.184 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001088338336 785743241 /nfs/dbraw/zinc/74/32/41/785743241.db2.gz BYIMHGNGFXPWIR-NWDGAFQWSA-N 1 0 338.412 -1.184 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCCCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001088338337 785744371 /nfs/dbraw/zinc/74/43/71/785744371.db2.gz BYIMHGNGFXPWIR-RYUDHWBXSA-N 1 0 338.412 -1.184 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001088338338 785744304 /nfs/dbraw/zinc/74/43/04/785744304.db2.gz BYIMHGNGFXPWIR-VXGBXAGGSA-N 1 0 338.412 -1.184 20 0 EAADRO CN1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)CC1=O ZINC001088339203 785743774 /nfs/dbraw/zinc/74/37/74/785743774.db2.gz ZMHMLFJVTKDUKX-CYBMUJFWSA-N 1 0 339.440 -1.394 20 0 EAADRO CN1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)CC1=O ZINC001088339204 785743483 /nfs/dbraw/zinc/74/34/83/785743483.db2.gz ZMHMLFJVTKDUKX-ZDUSSCGKSA-N 1 0 339.440 -1.394 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088351863 785746295 /nfs/dbraw/zinc/74/62/95/785746295.db2.gz NLEIUOOADXQZDM-NEPJUHHUSA-N 1 0 347.437 -1.747 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088351864 785746464 /nfs/dbraw/zinc/74/64/64/785746464.db2.gz NLEIUOOADXQZDM-RYUDHWBXSA-N 1 0 347.437 -1.747 20 0 EAADRO Cn1cnn(CCC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)c1=O ZINC001088351897 785746529 /nfs/dbraw/zinc/74/65/29/785746529.db2.gz ODJDHYCCBLAECI-GFCCVEGCSA-N 1 0 338.412 -1.182 20 0 EAADRO Cn1cnn(CCC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)c1=O ZINC001088351898 785746336 /nfs/dbraw/zinc/74/63/36/785746336.db2.gz ODJDHYCCBLAECI-LBPRGKRZSA-N 1 0 338.412 -1.182 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)c1=O ZINC001088357467 785749180 /nfs/dbraw/zinc/74/91/80/785749180.db2.gz CBVRKSVFVMHMDN-JTQLQIEISA-N 1 0 337.380 -1.054 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)c1=O ZINC001088357468 785749062 /nfs/dbraw/zinc/74/90/62/785749062.db2.gz CBVRKSVFVMHMDN-SNVBAGLBSA-N 1 0 337.380 -1.054 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001088358419 785750003 /nfs/dbraw/zinc/75/00/03/785750003.db2.gz BNMRSZIOFSIZEL-GFCCVEGCSA-N 1 0 325.413 -1.736 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001088358420 785750513 /nfs/dbraw/zinc/75/05/13/785750513.db2.gz BNMRSZIOFSIZEL-LBPRGKRZSA-N 1 0 325.413 -1.736 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001088358487 785750600 /nfs/dbraw/zinc/75/06/00/785750600.db2.gz CUCQMKXCWZYPRR-CHWSQXEVSA-N 1 0 339.440 -1.347 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001088358488 785750965 /nfs/dbraw/zinc/75/09/65/785750965.db2.gz CUCQMKXCWZYPRR-OLZOCXBDSA-N 1 0 339.440 -1.347 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001088358489 785750812 /nfs/dbraw/zinc/75/08/12/785750812.db2.gz CUCQMKXCWZYPRR-QWHCGFSZSA-N 1 0 339.440 -1.347 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001088358490 785750587 /nfs/dbraw/zinc/75/05/87/785750587.db2.gz CUCQMKXCWZYPRR-STQMWFEESA-N 1 0 339.440 -1.347 20 0 EAADRO Cn1nnc(C(=O)N2CCCCC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001088364663 785751077 /nfs/dbraw/zinc/75/10/77/785751077.db2.gz QDLJKCXHRVFSJO-JTQLQIEISA-N 1 0 349.399 -1.194 20 0 EAADRO Cn1nnc(C(=O)N2CCCCC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001088364664 785750464 /nfs/dbraw/zinc/75/04/64/785750464.db2.gz QDLJKCXHRVFSJO-SNVBAGLBSA-N 1 0 349.399 -1.194 20 0 EAADRO Cn1nnc(C(=O)N2CCCCC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001088364993 785750869 /nfs/dbraw/zinc/75/08/69/785750869.db2.gz YDRXCQPVMXYIES-GHMZBOCLSA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N2CCCCC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001088364994 785750581 /nfs/dbraw/zinc/75/05/81/785750581.db2.gz YDRXCQPVMXYIES-MNOVXSKESA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N2CCCCC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n1 ZINC001088364995 785750292 /nfs/dbraw/zinc/75/02/92/785750292.db2.gz YDRXCQPVMXYIES-QWRGUYRKSA-N 1 0 349.395 -1.010 20 0 EAADRO Cn1nnc(C(=O)N2CCCCC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001088364996 785751011 /nfs/dbraw/zinc/75/10/11/785751011.db2.gz YDRXCQPVMXYIES-WDEREUQCSA-N 1 0 349.395 -1.010 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001088371131 785750718 /nfs/dbraw/zinc/75/07/18/785750718.db2.gz BFDQYQWRFYEEDQ-LLVKDONJSA-N 1 0 339.396 -2.209 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001088371132 785750369 /nfs/dbraw/zinc/75/03/69/785750369.db2.gz BFDQYQWRFYEEDQ-NSHDSACASA-N 1 0 339.396 -2.209 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001088371205 785750921 /nfs/dbraw/zinc/75/09/21/785750921.db2.gz COBZDXYWKHWZEG-GFCCVEGCSA-N 1 0 346.453 -1.132 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001088371206 785751015 /nfs/dbraw/zinc/75/10/15/785751015.db2.gz COBZDXYWKHWZEG-LBPRGKRZSA-N 1 0 346.453 -1.132 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001088371623 785750105 /nfs/dbraw/zinc/75/01/05/785750105.db2.gz LSDDBAQAWRNNSP-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001088371624 785750574 /nfs/dbraw/zinc/75/05/74/785750574.db2.gz LSDDBAQAWRNNSP-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001088372815 785750803 /nfs/dbraw/zinc/75/08/03/785750803.db2.gz NZNZMCDXJGVZFP-JTQLQIEISA-N 1 0 325.369 -1.616 20 0 EAADRO NC(=O)C(=O)N1CCCCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001088372816 785750648 /nfs/dbraw/zinc/75/06/48/785750648.db2.gz NZNZMCDXJGVZFP-SNVBAGLBSA-N 1 0 325.369 -1.616 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001088381757 785754212 /nfs/dbraw/zinc/75/42/12/785754212.db2.gz LLXCNWQJODQDML-GRYCIOLGSA-N 1 0 326.397 -1.135 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001088381758 785754663 /nfs/dbraw/zinc/75/46/63/785754663.db2.gz LLXCNWQJODQDML-SDDRHHMPSA-N 1 0 326.397 -1.135 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001088391861 785756181 /nfs/dbraw/zinc/75/61/81/785756181.db2.gz WGWUIZPGLUSMGT-UWVGGRQHSA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001088391862 785755998 /nfs/dbraw/zinc/75/59/98/785755998.db2.gz WGWUIZPGLUSMGT-ZJUUUORDSA-N 1 0 325.369 -1.569 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H]([NH2+]CCO)C2)C1=O ZINC001088393485 785756457 /nfs/dbraw/zinc/75/64/57/785756457.db2.gz GOGPHKZWGHDCDU-LLVKDONJSA-N 1 0 340.380 -1.240 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H]([NH2+]CCO)C2)C1=O ZINC001088393486 785756154 /nfs/dbraw/zinc/75/61/54/785756154.db2.gz GOGPHKZWGHDCDU-NSHDSACASA-N 1 0 340.380 -1.240 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)S1(=O)=O ZINC001088397835 785755812 /nfs/dbraw/zinc/75/58/12/785755812.db2.gz SFBLVJYXKFBWTE-NEPJUHHUSA-N 1 0 346.453 -1.134 20 0 EAADRO CN1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)S1(=O)=O ZINC001088397836 785755765 /nfs/dbraw/zinc/75/57/65/785755765.db2.gz SFBLVJYXKFBWTE-NWDGAFQWSA-N 1 0 346.453 -1.134 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)S1(=O)=O ZINC001088397837 785755741 /nfs/dbraw/zinc/75/57/41/785755741.db2.gz SFBLVJYXKFBWTE-RYUDHWBXSA-N 1 0 346.453 -1.134 20 0 EAADRO CN1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)S1(=O)=O ZINC001088397838 785756528 /nfs/dbraw/zinc/75/65/28/785756528.db2.gz SFBLVJYXKFBWTE-VXGBXAGGSA-N 1 0 346.453 -1.134 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001088400345 785756641 /nfs/dbraw/zinc/75/66/41/785756641.db2.gz LDJSEXLXVYLOFR-JTQLQIEISA-N 1 0 325.369 -1.616 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001088400346 785755984 /nfs/dbraw/zinc/75/59/84/785755984.db2.gz LDJSEXLXVYLOFR-SNVBAGLBSA-N 1 0 325.369 -1.616 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001088400477 785756342 /nfs/dbraw/zinc/75/63/42/785756342.db2.gz PSIGUKLIERJYTN-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001088400478 785756294 /nfs/dbraw/zinc/75/62/94/785756294.db2.gz PSIGUKLIERJYTN-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001088400479 785756369 /nfs/dbraw/zinc/75/63/69/785756369.db2.gz PSIGUKLIERJYTN-QWRGUYRKSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001088400480 785756194 /nfs/dbraw/zinc/75/61/94/785756194.db2.gz PSIGUKLIERJYTN-WDEREUQCSA-N 1 0 339.396 -1.227 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001088410551 785755918 /nfs/dbraw/zinc/75/59/18/785755918.db2.gz KYMDTDVUZOMPHP-LLVKDONJSA-N 1 0 339.396 -1.226 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001088410552 785756330 /nfs/dbraw/zinc/75/63/30/785756330.db2.gz KYMDTDVUZOMPHP-NSHDSACASA-N 1 0 339.396 -1.226 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1=O ZINC001088413019 785756547 /nfs/dbraw/zinc/75/65/47/785756547.db2.gz VYZWMWIEMAYQDA-LLVKDONJSA-N 1 0 339.396 -1.274 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1=O ZINC001088413020 785756378 /nfs/dbraw/zinc/75/63/78/785756378.db2.gz VYZWMWIEMAYQDA-NSHDSACASA-N 1 0 339.396 -1.274 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001088413729 785755862 /nfs/dbraw/zinc/75/58/62/785755862.db2.gz NSNJNDXDAAGNKF-JTQLQIEISA-N 1 0 347.379 -1.123 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001088413730 785755933 /nfs/dbraw/zinc/75/59/33/785755933.db2.gz NSNJNDXDAAGNKF-SNVBAGLBSA-N 1 0 347.379 -1.123 20 0 EAADRO Cc1nn(CC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)c(=O)n1C ZINC001088419887 785756566 /nfs/dbraw/zinc/75/65/66/785756566.db2.gz AXJQSYWQSHZUJK-GFCCVEGCSA-N 1 0 338.412 -1.264 20 0 EAADRO Cc1nn(CC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)c(=O)n1C ZINC001088419888 785755883 /nfs/dbraw/zinc/75/58/83/785755883.db2.gz AXJQSYWQSHZUJK-LBPRGKRZSA-N 1 0 338.412 -1.264 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001088421999 785757146 /nfs/dbraw/zinc/75/71/46/785757146.db2.gz FJBSKCRUVWYFTI-GHMZBOCLSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001088422000 785757965 /nfs/dbraw/zinc/75/79/65/785757965.db2.gz FJBSKCRUVWYFTI-MNOVXSKESA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001088422001 785757381 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ZINC001090049983 786175191 /nfs/dbraw/zinc/17/51/91/786175191.db2.gz LWPCFFCHYBSSNW-JQWIXIFHSA-N 1 0 333.352 -1.361 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001090049985 786175548 /nfs/dbraw/zinc/17/55/48/786175548.db2.gz LWPCFFCHYBSSNW-PWSUYJOCSA-N 1 0 333.352 -1.361 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001090049987 786175354 /nfs/dbraw/zinc/17/53/54/786175354.db2.gz LWPCFFCHYBSSNW-ZYHUDNBSSA-N 1 0 333.352 -1.361 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054017 786176357 /nfs/dbraw/zinc/17/63/57/786176357.db2.gz GNQGBPSNZIZIHD-CHWSQXEVSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054018 786176490 /nfs/dbraw/zinc/17/64/90/786176490.db2.gz GNQGBPSNZIZIHD-OLZOCXBDSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054019 786176789 /nfs/dbraw/zinc/17/67/89/786176789.db2.gz GNQGBPSNZIZIHD-QWHCGFSZSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054020 786176891 /nfs/dbraw/zinc/17/68/91/786176891.db2.gz GNQGBPSNZIZIHD-STQMWFEESA-N 1 0 334.384 -1.799 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001090054270 786176815 /nfs/dbraw/zinc/17/68/15/786176815.db2.gz IKIGBSOLOWTNCD-NEPJUHHUSA-N 1 0 337.409 -1.076 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@H]1O ZINC001090054272 786176838 /nfs/dbraw/zinc/17/68/38/786176838.db2.gz IKIGBSOLOWTNCD-NWDGAFQWSA-N 1 0 337.409 -1.076 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001090054274 786176676 /nfs/dbraw/zinc/17/66/76/786176676.db2.gz IKIGBSOLOWTNCD-RYUDHWBXSA-N 1 0 337.409 -1.076 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCc2ccns2)C[C@H]1O ZINC001090054276 786176431 /nfs/dbraw/zinc/17/64/31/786176431.db2.gz IKIGBSOLOWTNCD-VXGBXAGGSA-N 1 0 337.409 -1.076 20 0 EAADRO CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090054922 786176381 /nfs/dbraw/zinc/17/63/81/786176381.db2.gz NHTRNIIOSCWORW-KBPBESRZSA-N 1 0 348.411 -1.316 20 0 EAADRO CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090054923 786176392 /nfs/dbraw/zinc/17/63/92/786176392.db2.gz NHTRNIIOSCWORW-KGLIPLIRSA-N 1 0 348.411 -1.316 20 0 EAADRO CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090054924 786176194 /nfs/dbraw/zinc/17/61/94/786176194.db2.gz NHTRNIIOSCWORW-UONOGXRCSA-N 1 0 348.411 -1.316 20 0 EAADRO CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090054925 786176850 /nfs/dbraw/zinc/17/68/50/786176850.db2.gz NHTRNIIOSCWORW-ZIAGYGMSSA-N 1 0 348.411 -1.316 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090055117 786176752 /nfs/dbraw/zinc/17/67/52/786176752.db2.gz OSNGCWKAILSBMY-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090055119 786176763 /nfs/dbraw/zinc/17/67/63/786176763.db2.gz OSNGCWKAILSBMY-NWDGAFQWSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090055120 786176557 /nfs/dbraw/zinc/17/65/57/786176557.db2.gz OSNGCWKAILSBMY-RYUDHWBXSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090055121 786176916 /nfs/dbraw/zinc/17/69/16/786176916.db2.gz OSNGCWKAILSBMY-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)n1 ZINC001090055140 786176989 /nfs/dbraw/zinc/17/69/89/786176989.db2.gz OWSZHBFEYWZZDN-KBPBESRZSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)n1 ZINC001090055144 786176330 /nfs/dbraw/zinc/17/63/30/786176330.db2.gz OWSZHBFEYWZZDN-KGLIPLIRSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)n1 ZINC001090055145 786176881 /nfs/dbraw/zinc/17/68/81/786176881.db2.gz OWSZHBFEYWZZDN-UONOGXRCSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)n1 ZINC001090055147 786177022 /nfs/dbraw/zinc/17/70/22/786177022.db2.gz OWSZHBFEYWZZDN-ZIAGYGMSSA-N 1 0 348.411 -1.262 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090055635 786177060 /nfs/dbraw/zinc/17/70/60/786177060.db2.gz WINLJHOFTKYYAV-CHWSQXEVSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090055636 786176730 /nfs/dbraw/zinc/17/67/30/786176730.db2.gz WINLJHOFTKYYAV-OLZOCXBDSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090055637 786176234 /nfs/dbraw/zinc/17/62/34/786176234.db2.gz WINLJHOFTKYYAV-QWHCGFSZSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090055638 786176165 /nfs/dbraw/zinc/17/61/65/786176165.db2.gz WINLJHOFTKYYAV-STQMWFEESA-N 1 0 334.384 -1.799 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090055751 786176371 /nfs/dbraw/zinc/17/63/71/786176371.db2.gz YCOUVYKKOUWNKJ-GHMZBOCLSA-N 1 0 338.372 -2.750 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090055752 786176323 /nfs/dbraw/zinc/17/63/23/786176323.db2.gz YCOUVYKKOUWNKJ-MNOVXSKESA-N 1 0 338.372 -2.750 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090055753 786176930 /nfs/dbraw/zinc/17/69/30/786176930.db2.gz YCOUVYKKOUWNKJ-QWRGUYRKSA-N 1 0 338.372 -2.750 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090055754 786176646 /nfs/dbraw/zinc/17/66/46/786176646.db2.gz YCOUVYKKOUWNKJ-WDEREUQCSA-N 1 0 338.372 -2.750 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)n1 ZINC001090056225 786177562 /nfs/dbraw/zinc/17/75/62/786177562.db2.gz DZOQVZXPZLNWOX-CHWSQXEVSA-N 1 0 349.399 -1.867 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)n1 ZINC001090056226 786177688 /nfs/dbraw/zinc/17/76/88/786177688.db2.gz DZOQVZXPZLNWOX-OLZOCXBDSA-N 1 0 349.399 -1.867 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)n1 ZINC001090056227 786178204 /nfs/dbraw/zinc/17/82/04/786178204.db2.gz DZOQVZXPZLNWOX-QWHCGFSZSA-N 1 0 349.399 -1.867 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)n1 ZINC001090056228 786177473 /nfs/dbraw/zinc/17/74/73/786177473.db2.gz DZOQVZXPZLNWOX-STQMWFEESA-N 1 0 349.399 -1.867 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cc1=O ZINC001090057998 786177377 /nfs/dbraw/zinc/17/73/77/786177377.db2.gz ODAGUPSZDBJYMR-CHWSQXEVSA-N 1 0 347.379 -1.877 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cc1=O ZINC001090058002 786177830 /nfs/dbraw/zinc/17/78/30/786177830.db2.gz ODAGUPSZDBJYMR-OLZOCXBDSA-N 1 0 347.379 -1.877 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cc1=O ZINC001090058005 786177774 /nfs/dbraw/zinc/17/77/74/786177774.db2.gz ODAGUPSZDBJYMR-QWHCGFSZSA-N 1 0 347.379 -1.877 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cc1=O ZINC001090058008 786177644 /nfs/dbraw/zinc/17/76/44/786177644.db2.gz ODAGUPSZDBJYMR-STQMWFEESA-N 1 0 347.379 -1.877 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001090058448 786177610 /nfs/dbraw/zinc/17/76/10/786177610.db2.gz RRGLAWDNBYQZOZ-CABCVRRESA-N 1 0 346.391 -1.083 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001090058449 786179127 /nfs/dbraw/zinc/17/91/27/786179127.db2.gz RRGLAWDNBYQZOZ-GJZGRUSLSA-N 1 0 346.391 -1.083 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001090058450 786179245 /nfs/dbraw/zinc/17/92/45/786179245.db2.gz RRGLAWDNBYQZOZ-HUUCEWRRSA-N 1 0 346.391 -1.083 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001090058451 786179029 /nfs/dbraw/zinc/17/90/29/786179029.db2.gz RRGLAWDNBYQZOZ-LSDHHAIUSA-N 1 0 346.391 -1.083 20 0 EAADRO COc1ccc(CN2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)nn1 ZINC001090058553 786179140 /nfs/dbraw/zinc/17/91/40/786179140.db2.gz SVCFIQYLJMATLB-NEPJUHHUSA-N 1 0 348.367 -1.777 20 0 EAADRO COc1ccc(CN2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)nn1 ZINC001090058554 786179290 /nfs/dbraw/zinc/17/92/90/786179290.db2.gz SVCFIQYLJMATLB-NWDGAFQWSA-N 1 0 348.367 -1.777 20 0 EAADRO COc1ccc(CN2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)nn1 ZINC001090058555 786178896 /nfs/dbraw/zinc/17/88/96/786178896.db2.gz SVCFIQYLJMATLB-RYUDHWBXSA-N 1 0 348.367 -1.777 20 0 EAADRO COc1ccc(CN2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)nn1 ZINC001090058556 786178926 /nfs/dbraw/zinc/17/89/26/786178926.db2.gz SVCFIQYLJMATLB-VXGBXAGGSA-N 1 0 348.367 -1.777 20 0 EAADRO Cc1cc(CN2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)nn1C ZINC001090058709 786179329 /nfs/dbraw/zinc/17/93/29/786179329.db2.gz UMIDTPXSZYZLHZ-STQMWFEESA-N 1 0 334.384 -1.533 20 0 EAADRO O=C(CN1CCCC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090058772 786178883 /nfs/dbraw/zinc/17/88/83/786178883.db2.gz BHJNCKAKLJLBCV-CHWSQXEVSA-N 1 0 336.396 -1.548 20 0 EAADRO 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CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001090219850 786239503 /nfs/dbraw/zinc/23/95/03/786239503.db2.gz YEPYHXGWGMMKTK-JKSUJKDBSA-N 1 0 349.435 -1.008 20 0 EAADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)cnn1 ZINC001090223136 786240546 /nfs/dbraw/zinc/24/05/46/786240546.db2.gz YMUHGFVJQYLGID-KBPBESRZSA-N 1 0 348.407 -1.025 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)cnn1 ZINC001090223137 786241206 /nfs/dbraw/zinc/24/12/06/786241206.db2.gz YMUHGFVJQYLGID-KGLIPLIRSA-N 1 0 348.407 -1.025 20 0 EAADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)cnn1 ZINC001090223138 786240815 /nfs/dbraw/zinc/24/08/15/786240815.db2.gz YMUHGFVJQYLGID-UONOGXRCSA-N 1 0 348.407 -1.025 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)cnn1 ZINC001090223139 786241442 /nfs/dbraw/zinc/24/14/42/786241442.db2.gz YMUHGFVJQYLGID-ZIAGYGMSSA-N 1 0 348.407 -1.025 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)nn1 ZINC001090224598 786242161 /nfs/dbraw/zinc/24/21/61/786242161.db2.gz GPYNAIWBFGHQMS-GXTWGEPZSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)nn1 ZINC001090224599 786242205 /nfs/dbraw/zinc/24/22/05/786242205.db2.gz GPYNAIWBFGHQMS-JSGCOSHPSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)nn1 ZINC001090224600 786242592 /nfs/dbraw/zinc/24/25/92/786242592.db2.gz GPYNAIWBFGHQMS-OCCSQVGLSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)nn1 ZINC001090224601 786241866 /nfs/dbraw/zinc/24/18/66/786241866.db2.gz GPYNAIWBFGHQMS-TZMCWYRMSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)cc1=O ZINC001090224622 786241790 /nfs/dbraw/zinc/24/17/90/786241790.db2.gz GZQRIBCKEXVCDI-GHMZBOCLSA-N 1 0 336.352 -1.565 20 0 EAADRO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)cc1=O ZINC001090224623 786242494 /nfs/dbraw/zinc/24/24/94/786242494.db2.gz GZQRIBCKEXVCDI-MNOVXSKESA-N 1 0 336.352 -1.565 20 0 EAADRO Cn1oc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)cc1=O ZINC001090224624 786242401 /nfs/dbraw/zinc/24/24/01/786242401.db2.gz GZQRIBCKEXVCDI-QWRGUYRKSA-N 1 0 336.352 -1.565 20 0 EAADRO Cn1oc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)cc1=O ZINC001090224625 786242351 /nfs/dbraw/zinc/24/23/51/786242351.db2.gz GZQRIBCKEXVCDI-WDEREUQCSA-N 1 0 336.352 -1.565 20 0 EAADRO O=C(CC1OCCCO1)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O ZINC001090224944 786242506 /nfs/dbraw/zinc/24/25/06/786242506.db2.gz ITTUTQLVFHMZNQ-CHWSQXEVSA-N 1 0 341.408 -1.031 20 0 EAADRO O=C(CC1OCCCO1)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O ZINC001090224945 786242626 /nfs/dbraw/zinc/24/26/26/786242626.db2.gz ITTUTQLVFHMZNQ-OLZOCXBDSA-N 1 0 341.408 -1.031 20 0 EAADRO O=C(CC1OCCCO1)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O ZINC001090224946 786242519 /nfs/dbraw/zinc/24/25/19/786242519.db2.gz ITTUTQLVFHMZNQ-QWHCGFSZSA-N 1 0 341.408 -1.031 20 0 EAADRO O=C(CC1OCCCO1)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O ZINC001090224947 786242177 /nfs/dbraw/zinc/24/21/77/786242177.db2.gz ITTUTQLVFHMZNQ-STQMWFEESA-N 1 0 341.408 -1.031 20 0 EAADRO O=C(CC1OCCCO1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090224952 786242600 /nfs/dbraw/zinc/24/26/00/786242600.db2.gz JDMIHMNYZHSORK-CHWSQXEVSA-N 1 0 339.396 -1.017 20 0 EAADRO O=C(CC1OCCCO1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090224953 786242485 /nfs/dbraw/zinc/24/24/85/786242485.db2.gz JDMIHMNYZHSORK-OLZOCXBDSA-N 1 0 339.396 -1.017 20 0 EAADRO O=C(CC1OCCCO1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090224954 786242530 /nfs/dbraw/zinc/24/25/30/786242530.db2.gz JDMIHMNYZHSORK-QWHCGFSZSA-N 1 0 339.396 -1.017 20 0 EAADRO O=C(CC1OCCCO1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090224955 786242308 /nfs/dbraw/zinc/24/23/08/786242308.db2.gz JDMIHMNYZHSORK-STQMWFEESA-N 1 0 339.396 -1.017 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001090226424 786242473 /nfs/dbraw/zinc/24/24/73/786242473.db2.gz VNEVPKMAAKSWJI-KBPBESRZSA-N 1 0 336.396 -1.692 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001090226425 786242264 /nfs/dbraw/zinc/24/22/64/786242264.db2.gz VNEVPKMAAKSWJI-KGLIPLIRSA-N 1 0 336.396 -1.692 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001090226426 786242388 /nfs/dbraw/zinc/24/23/88/786242388.db2.gz VNEVPKMAAKSWJI-UONOGXRCSA-N 1 0 336.396 -1.692 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001090226427 786242096 /nfs/dbraw/zinc/24/20/96/786242096.db2.gz VNEVPKMAAKSWJI-ZIAGYGMSSA-N 1 0 336.396 -1.692 20 0 EAADRO Cn1oc(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C[C@H]2O)cc1=O ZINC001090226871 786242571 /nfs/dbraw/zinc/24/25/71/786242571.db2.gz ZRZNKQJHYYTVGN-GHMZBOCLSA-N 1 0 338.364 -1.578 20 0 EAADRO Cn1oc(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C[C@@H]2O)cc1=O ZINC001090226872 786242021 /nfs/dbraw/zinc/24/20/21/786242021.db2.gz ZRZNKQJHYYTVGN-MNOVXSKESA-N 1 0 338.364 -1.578 20 0 EAADRO Cn1oc(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C[C@@H]2O)cc1=O ZINC001090226873 786242070 /nfs/dbraw/zinc/24/20/70/786242070.db2.gz ZRZNKQJHYYTVGN-QWRGUYRKSA-N 1 0 338.364 -1.578 20 0 EAADRO Cn1oc(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C[C@H]2O)cc1=O ZINC001090226874 786242561 /nfs/dbraw/zinc/24/25/61/786242561.db2.gz ZRZNKQJHYYTVGN-WDEREUQCSA-N 1 0 338.364 -1.578 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001090228897 786244688 /nfs/dbraw/zinc/24/46/88/786244688.db2.gz UPQLUFAXGHNPFF-NEPJUHHUSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001090228898 786244938 /nfs/dbraw/zinc/24/49/38/786244938.db2.gz UPQLUFAXGHNPFF-NWDGAFQWSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001090228899 786244462 /nfs/dbraw/zinc/24/44/62/786244462.db2.gz UPQLUFAXGHNPFF-RYUDHWBXSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001090228901 786245040 /nfs/dbraw/zinc/24/50/40/786245040.db2.gz UPQLUFAXGHNPFF-VXGBXAGGSA-N 1 0 336.396 -1.398 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)n1 ZINC001090229141 786244602 /nfs/dbraw/zinc/24/46/02/786244602.db2.gz UVIPSJHPZDIDKE-GXTWGEPZSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)n1 ZINC001090229142 786244618 /nfs/dbraw/zinc/24/46/18/786244618.db2.gz UVIPSJHPZDIDKE-JSGCOSHPSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)n1 ZINC001090229143 786244974 /nfs/dbraw/zinc/24/49/74/786244974.db2.gz UVIPSJHPZDIDKE-OCCSQVGLSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)n1 ZINC001090229144 786244498 /nfs/dbraw/zinc/24/44/98/786244498.db2.gz UVIPSJHPZDIDKE-TZMCWYRMSA-N 1 0 348.411 -1.111 20 0 EAADRO Cn1nccc1CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090229627 786242222 /nfs/dbraw/zinc/24/22/22/786242222.db2.gz DCHJPZUXUDLGIP-KBPBESRZSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090229628 786241830 /nfs/dbraw/zinc/24/18/30/786241830.db2.gz DCHJPZUXUDLGIP-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090229630 786242578 /nfs/dbraw/zinc/24/25/78/786242578.db2.gz DCHJPZUXUDLGIP-UONOGXRCSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090229632 786241950 /nfs/dbraw/zinc/24/19/50/786241950.db2.gz DCHJPZUXUDLGIP-ZIAGYGMSSA-N 1 0 333.396 -1.194 20 0 EAADRO O=C(Cc1cncnc1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090230223 786243308 /nfs/dbraw/zinc/24/33/08/786243308.db2.gz HQARVVRYOHNPMO-KBPBESRZSA-N 1 0 331.380 -1.138 20 0 EAADRO O=C(Cc1cncnc1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090230224 786243570 /nfs/dbraw/zinc/24/35/70/786243570.db2.gz HQARVVRYOHNPMO-KGLIPLIRSA-N 1 0 331.380 -1.138 20 0 EAADRO O=C(Cc1cncnc1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090230226 786243398 /nfs/dbraw/zinc/24/33/98/786243398.db2.gz HQARVVRYOHNPMO-UONOGXRCSA-N 1 0 331.380 -1.138 20 0 EAADRO O=C(Cc1cncnc1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090230228 786243873 /nfs/dbraw/zinc/24/38/73/786243873.db2.gz HQARVVRYOHNPMO-ZIAGYGMSSA-N 1 0 331.380 -1.138 20 0 EAADRO Cc1ccnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001090230508 786243743 /nfs/dbraw/zinc/24/37/43/786243743.db2.gz JJBDBNGYFXLWIZ-CHWSQXEVSA-N 1 0 348.407 -1.025 20 0 EAADRO Cc1ccnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001090230509 786243676 /nfs/dbraw/zinc/24/36/76/786243676.db2.gz JJBDBNGYFXLWIZ-OLZOCXBDSA-N 1 0 348.407 -1.025 20 0 EAADRO Cc1ccnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001090230510 786243165 /nfs/dbraw/zinc/24/31/65/786243165.db2.gz JJBDBNGYFXLWIZ-QWHCGFSZSA-N 1 0 348.407 -1.025 20 0 EAADRO Cc1ccnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001090230511 786243180 /nfs/dbraw/zinc/24/31/80/786243180.db2.gz JJBDBNGYFXLWIZ-STQMWFEESA-N 1 0 348.407 -1.025 20 0 EAADRO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090231395 786244446 /nfs/dbraw/zinc/24/44/46/786244446.db2.gz OHUKSYQGKZLBPW-AAEUAGOBSA-N 1 0 334.384 -1.245 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090231396 786244766 /nfs/dbraw/zinc/24/47/66/786244766.db2.gz OHUKSYQGKZLBPW-DGCLKSJQSA-N 1 0 334.384 -1.245 20 0 EAADRO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090231397 786245013 /nfs/dbraw/zinc/24/50/13/786245013.db2.gz OHUKSYQGKZLBPW-WCQYABFASA-N 1 0 334.384 -1.245 20 0 EAADRO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090231398 786244494 /nfs/dbraw/zinc/24/44/94/786244494.db2.gz OHUKSYQGKZLBPW-YPMHNXCESA-N 1 0 334.384 -1.245 20 0 EAADRO O=C(Cc1cncnc1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090232670 786245526 /nfs/dbraw/zinc/24/55/26/786245526.db2.gz YIQZCTQVELKVJJ-KBPBESRZSA-N 1 0 348.407 -1.404 20 0 EAADRO O=C(Cc1cncnc1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090232671 786245688 /nfs/dbraw/zinc/24/56/88/786245688.db2.gz YIQZCTQVELKVJJ-KGLIPLIRSA-N 1 0 348.407 -1.404 20 0 EAADRO O=C(Cc1cncnc1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090232672 786245938 /nfs/dbraw/zinc/24/59/38/786245938.db2.gz YIQZCTQVELKVJJ-UONOGXRCSA-N 1 0 348.407 -1.404 20 0 EAADRO O=C(Cc1cncnc1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090232673 786246022 /nfs/dbraw/zinc/24/60/22/786246022.db2.gz YIQZCTQVELKVJJ-ZIAGYGMSSA-N 1 0 348.407 -1.404 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090235763 786247348 /nfs/dbraw/zinc/24/73/48/786247348.db2.gz GDMFRLYUSWFUGL-GXTWGEPZSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090235764 786246998 /nfs/dbraw/zinc/24/69/98/786246998.db2.gz GDMFRLYUSWFUGL-JSGCOSHPSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090235765 786246930 /nfs/dbraw/zinc/24/69/30/786246930.db2.gz GDMFRLYUSWFUGL-OCCSQVGLSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090235766 786247240 /nfs/dbraw/zinc/24/72/40/786247240.db2.gz GDMFRLYUSWFUGL-TZMCWYRMSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090236294 786246623 /nfs/dbraw/zinc/24/66/23/786246623.db2.gz HOMLZEOOVXWGNQ-AAEUAGOBSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090236297 786247280 /nfs/dbraw/zinc/24/72/80/786247280.db2.gz HOMLZEOOVXWGNQ-DGCLKSJQSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090236298 786247308 /nfs/dbraw/zinc/24/73/08/786247308.db2.gz HOMLZEOOVXWGNQ-WCQYABFASA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090236299 786246602 /nfs/dbraw/zinc/24/66/02/786246602.db2.gz HOMLZEOOVXWGNQ-YPMHNXCESA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H](O)C2)cn1 ZINC001090237511 786246980 /nfs/dbraw/zinc/24/69/80/786246980.db2.gz ONHXSSQKQWKTHC-GXTWGEPZSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001090237512 786246755 /nfs/dbraw/zinc/24/67/55/786246755.db2.gz ONHXSSQKQWKTHC-JSGCOSHPSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001090237513 786246908 /nfs/dbraw/zinc/24/69/08/786246908.db2.gz ONHXSSQKQWKTHC-OCCSQVGLSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@H](O)C2)cn1 ZINC001090237514 786247043 /nfs/dbraw/zinc/24/70/43/786247043.db2.gz ONHXSSQKQWKTHC-TZMCWYRMSA-N 1 0 333.396 -1.044 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001090237727 786247198 /nfs/dbraw/zinc/24/71/98/786247198.db2.gz PXXTYQWIEHCBSV-NXEZZACHSA-N 1 0 336.352 -1.874 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001090237728 786247525 /nfs/dbraw/zinc/24/75/25/786247525.db2.gz PXXTYQWIEHCBSV-UWVGGRQHSA-N 1 0 336.352 -1.874 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001090237729 786247447 /nfs/dbraw/zinc/24/74/47/786247447.db2.gz PXXTYQWIEHCBSV-VHSXEESVSA-N 1 0 336.352 -1.874 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001090237730 786247533 /nfs/dbraw/zinc/24/75/33/786247533.db2.gz PXXTYQWIEHCBSV-ZJUUUORDSA-N 1 0 336.352 -1.874 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090238429 786246539 /nfs/dbraw/zinc/24/65/39/786246539.db2.gz YPOLJUBUDHJDER-CMPLNLGQSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090238430 786247098 /nfs/dbraw/zinc/24/70/98/786247098.db2.gz YPOLJUBUDHJDER-JQWIXIFHSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090238431 786246737 /nfs/dbraw/zinc/24/67/37/786246737.db2.gz YPOLJUBUDHJDER-PWSUYJOCSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090238432 786246869 /nfs/dbraw/zinc/24/68/69/786246869.db2.gz YPOLJUBUDHJDER-ZYHUDNBSSA-N 1 0 337.384 -1.995 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001090238625 786247376 /nfs/dbraw/zinc/24/73/76/786247376.db2.gz ZKDSVGPVHZRSQW-GHMZBOCLSA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001090238626 786248924 /nfs/dbraw/zinc/24/89/24/786248924.db2.gz ZKDSVGPVHZRSQW-MNOVXSKESA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001090238628 786248901 /nfs/dbraw/zinc/24/89/01/786248901.db2.gz ZKDSVGPVHZRSQW-QWRGUYRKSA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001090238629 786248689 /nfs/dbraw/zinc/24/86/89/786248689.db2.gz ZKDSVGPVHZRSQW-WDEREUQCSA-N 1 0 335.364 -1.276 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001090239915 786248303 /nfs/dbraw/zinc/24/83/03/786248303.db2.gz FXEOUODKBGXKFL-GXTWGEPZSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001090239918 786247883 /nfs/dbraw/zinc/24/78/83/786247883.db2.gz FXEOUODKBGXKFL-JSGCOSHPSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001090239921 786248111 /nfs/dbraw/zinc/24/81/11/786248111.db2.gz FXEOUODKBGXKFL-OCCSQVGLSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001090239923 786248470 /nfs/dbraw/zinc/24/84/70/786248470.db2.gz FXEOUODKBGXKFL-TZMCWYRMSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)nn1 ZINC001090240174 786248534 /nfs/dbraw/zinc/24/85/34/786248534.db2.gz HHDHLOHXCZYTFF-AAEUAGOBSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)nn1 ZINC001090240175 786248067 /nfs/dbraw/zinc/24/80/67/786248067.db2.gz HHDHLOHXCZYTFF-DGCLKSJQSA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)nn1 ZINC001090240176 786247904 /nfs/dbraw/zinc/24/79/04/786247904.db2.gz HHDHLOHXCZYTFF-WCQYABFASA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)nn1 ZINC001090240177 786248715 /nfs/dbraw/zinc/24/87/15/786248715.db2.gz HHDHLOHXCZYTFF-YPMHNXCESA-N 1 0 336.396 -1.398 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)nn1 ZINC001090240432 786248330 /nfs/dbraw/zinc/24/83/30/786248330.db2.gz JRYLJBDXUYNVKE-CMPLNLGQSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)nn1 ZINC001090240433 786248393 /nfs/dbraw/zinc/24/83/93/786248393.db2.gz JRYLJBDXUYNVKE-JQWIXIFHSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)nn1 ZINC001090240434 786248260 /nfs/dbraw/zinc/24/82/60/786248260.db2.gz JRYLJBDXUYNVKE-PWSUYJOCSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)nn1 ZINC001090240435 786248581 /nfs/dbraw/zinc/24/85/81/786248581.db2.gz JRYLJBDXUYNVKE-ZYHUDNBSSA-N 1 0 337.384 -1.995 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H](O)C2)n1 ZINC001090240500 786248491 /nfs/dbraw/zinc/24/84/91/786248491.db2.gz KODOJPRQXBYCKM-GXTWGEPZSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@@H](O)C2)n1 ZINC001090240501 786248728 /nfs/dbraw/zinc/24/87/28/786248728.db2.gz KODOJPRQXBYCKM-JSGCOSHPSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)n1 ZINC001090240502 786248559 /nfs/dbraw/zinc/24/85/59/786248559.db2.gz KODOJPRQXBYCKM-OCCSQVGLSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@H](O)C2)n1 ZINC001090240503 786248185 /nfs/dbraw/zinc/24/81/85/786248185.db2.gz KODOJPRQXBYCKM-TZMCWYRMSA-N 1 0 348.411 -1.111 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC001090241321 786248941 /nfs/dbraw/zinc/24/89/41/786248941.db2.gz QZNKLOFOEYFNCY-GXTWGEPZSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001090241322 786248666 /nfs/dbraw/zinc/24/86/66/786248666.db2.gz QZNKLOFOEYFNCY-JSGCOSHPSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001090241323 786248813 /nfs/dbraw/zinc/24/88/13/786248813.db2.gz QZNKLOFOEYFNCY-OCCSQVGLSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC001090241324 786248606 /nfs/dbraw/zinc/24/86/06/786248606.db2.gz QZNKLOFOEYFNCY-TZMCWYRMSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)C[C@H]2O)nn1 ZINC001090241377 786249949 /nfs/dbraw/zinc/24/99/49/786249949.db2.gz RXTATKSTVLZEHC-GXTWGEPZSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)C[C@@H]2O)nn1 ZINC001090241378 786249639 /nfs/dbraw/zinc/24/96/39/786249639.db2.gz RXTATKSTVLZEHC-JSGCOSHPSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCc3ccnn3C)C[C@@H]2O)nn1 ZINC001090241379 786249305 /nfs/dbraw/zinc/24/93/05/786249305.db2.gz RXTATKSTVLZEHC-OCCSQVGLSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCc3ccnn3C)C[C@H]2O)nn1 ZINC001090241380 786249344 /nfs/dbraw/zinc/24/93/44/786249344.db2.gz RXTATKSTVLZEHC-TZMCWYRMSA-N 1 0 333.396 -1.044 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001090245269 786249618 /nfs/dbraw/zinc/24/96/18/786249618.db2.gz BEJBEHOSHQCKNN-GHMZBOCLSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001090245270 786249320 /nfs/dbraw/zinc/24/93/20/786249320.db2.gz BEJBEHOSHQCKNN-MNOVXSKESA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001090245271 786249559 /nfs/dbraw/zinc/24/95/59/786249559.db2.gz BEJBEHOSHQCKNN-QWRGUYRKSA-N 1 0 337.384 -1.995 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001090245272 786249364 /nfs/dbraw/zinc/24/93/64/786249364.db2.gz BEJBEHOSHQCKNN-WDEREUQCSA-N 1 0 337.384 -1.995 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)o1 ZINC001090245483 786251553 /nfs/dbraw/zinc/25/15/53/786251553.db2.gz DEVHEXWQKUWTPE-NEPJUHHUSA-N 1 0 335.368 -1.236 20 0 EAADRO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)o1 ZINC001090245484 786251369 /nfs/dbraw/zinc/25/13/69/786251369.db2.gz DEVHEXWQKUWTPE-NWDGAFQWSA-N 1 0 335.368 -1.236 20 0 EAADRO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)o1 ZINC001090245485 786250931 /nfs/dbraw/zinc/25/09/31/786250931.db2.gz DEVHEXWQKUWTPE-RYUDHWBXSA-N 1 0 335.368 -1.236 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)o1 ZINC001090245486 786251599 /nfs/dbraw/zinc/25/15/99/786251599.db2.gz DEVHEXWQKUWTPE-VXGBXAGGSA-N 1 0 335.368 -1.236 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)n1 ZINC001090246351 786251092 /nfs/dbraw/zinc/25/10/92/786251092.db2.gz KBNYWTQGPZBLCA-CHWSQXEVSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)n1 ZINC001090246352 786251221 /nfs/dbraw/zinc/25/12/21/786251221.db2.gz KBNYWTQGPZBLCA-OLZOCXBDSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)n1 ZINC001090246353 786251655 /nfs/dbraw/zinc/25/16/55/786251655.db2.gz KBNYWTQGPZBLCA-QWHCGFSZSA-N 1 0 346.391 -1.121 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)n1 ZINC001090246354 786251171 /nfs/dbraw/zinc/25/11/71/786251171.db2.gz KBNYWTQGPZBLCA-STQMWFEESA-N 1 0 346.391 -1.121 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3ncn(C)n3)[C@H](O)C2)n1 ZINC001090246727 786249215 /nfs/dbraw/zinc/24/92/15/786249215.db2.gz NNMWGJQBNCXTKO-CHWSQXEVSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)n1 ZINC001090246728 786251153 /nfs/dbraw/zinc/25/11/53/786251153.db2.gz NNMWGJQBNCXTKO-OLZOCXBDSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3ncn(C)n3)[C@H](O)C2)n1 ZINC001090246729 786251251 /nfs/dbraw/zinc/25/12/51/786251251.db2.gz 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CCn1nncc1C(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O ZINC001090247883 786250786 /nfs/dbraw/zinc/25/07/86/786250786.db2.gz CTSUKNLAENPZHS-AAEUAGOBSA-N 1 0 336.396 -1.258 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O ZINC001090247884 786251486 /nfs/dbraw/zinc/25/14/86/786251486.db2.gz CTSUKNLAENPZHS-DGCLKSJQSA-N 1 0 336.396 -1.258 20 0 EAADRO CCn1nncc1C(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O ZINC001090247885 786250967 /nfs/dbraw/zinc/25/09/67/786250967.db2.gz CTSUKNLAENPZHS-WCQYABFASA-N 1 0 336.396 -1.258 20 0 EAADRO CCn1nncc1C(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O ZINC001090247887 786251104 /nfs/dbraw/zinc/25/11/04/786251104.db2.gz CTSUKNLAENPZHS-YPMHNXCESA-N 1 0 336.396 -1.258 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001090247943 786252157 /nfs/dbraw/zinc/25/21/57/786252157.db2.gz YZQYLBAZSYZQBD-STQMWFEESA-N 1 0 333.396 -1.044 20 0 EAADRO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090250187 786252839 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COCCn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)c(C)n1 ZINC001090254937 786252732 /nfs/dbraw/zinc/25/27/32/786252732.db2.gz BRZRXASGTZXRMR-UONOGXRCSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)c(C)n1 ZINC001090254938 786252781 /nfs/dbraw/zinc/25/27/81/786252781.db2.gz BRZRXASGTZXRMR-ZIAGYGMSSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1ncc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)c1C ZINC001090254947 786252796 /nfs/dbraw/zinc/25/27/96/786252796.db2.gz BXLYNXAJNPZXRG-KBPBESRZSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)c1C ZINC001090254948 786252242 /nfs/dbraw/zinc/25/22/42/786252242.db2.gz BXLYNXAJNPZXRG-KGLIPLIRSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1ncc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)c1C ZINC001090254949 786252762 /nfs/dbraw/zinc/25/27/62/786252762.db2.gz BXLYNXAJNPZXRG-UONOGXRCSA-N 1 0 326.397 -1.005 20 0 EAADRO COCCn1ncc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)c1C ZINC001090254950 786252085 /nfs/dbraw/zinc/25/20/85/786252085.db2.gz BXLYNXAJNPZXRG-ZIAGYGMSSA-N 1 0 326.397 -1.005 20 0 EAADRO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090256317 786253379 /nfs/dbraw/zinc/25/33/79/786253379.db2.gz RWTRTPFHNHBYJA-NEPJUHHUSA-N 1 0 336.396 -1.092 20 0 EAADRO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090256318 786254174 /nfs/dbraw/zinc/25/41/74/786254174.db2.gz RWTRTPFHNHBYJA-NWDGAFQWSA-N 1 0 336.396 -1.092 20 0 EAADRO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090256319 786254015 /nfs/dbraw/zinc/25/40/15/786254015.db2.gz RWTRTPFHNHBYJA-RYUDHWBXSA-N 1 0 336.396 -1.092 20 0 EAADRO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090256320 786253455 /nfs/dbraw/zinc/25/34/55/786253455.db2.gz RWTRTPFHNHBYJA-VXGBXAGGSA-N 1 0 336.396 -1.092 20 0 EAADRO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)nn1 ZINC001090258964 786262121 /nfs/dbraw/zinc/26/21/21/786262121.db2.gz QEGOWOPOHWNAJP-AAEUAGOBSA-N 1 0 327.385 -1.528 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)nn1 ZINC001090258965 786262732 /nfs/dbraw/zinc/26/27/32/786262732.db2.gz QEGOWOPOHWNAJP-DGCLKSJQSA-N 1 0 327.385 -1.528 20 0 EAADRO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)nn1 ZINC001090258966 786262606 /nfs/dbraw/zinc/26/26/06/786262606.db2.gz QEGOWOPOHWNAJP-WCQYABFASA-N 1 0 327.385 -1.528 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)nn1 ZINC001090258967 786262718 /nfs/dbraw/zinc/26/27/18/786262718.db2.gz QEGOWOPOHWNAJP-YPMHNXCESA-N 1 0 327.385 -1.528 20 0 EAADRO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CCOC)C[C@@H]2O)nn1 ZINC001090259259 786264722 /nfs/dbraw/zinc/26/47/22/786264722.db2.gz SNPZDEGKBKWAPD-AAEUAGOBSA-N 1 0 327.385 -1.264 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCOC)C[C@H]2O)nn1 ZINC001090259262 786264405 /nfs/dbraw/zinc/26/44/05/786264405.db2.gz SNPZDEGKBKWAPD-DGCLKSJQSA-N 1 0 327.385 -1.264 20 0 EAADRO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CCOC)C[C@H]2O)nn1 ZINC001090259266 786264792 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CNC(=O)CN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 ZINC001090263145 786267463 /nfs/dbraw/zinc/26/74/63/786267463.db2.gz BUDIJVYTHSOBQF-JQWIXIFHSA-N 1 0 336.396 -1.546 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 ZINC001090263149 786267059 /nfs/dbraw/zinc/26/70/59/786267059.db2.gz BUDIJVYTHSOBQF-PWSUYJOCSA-N 1 0 336.396 -1.546 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 ZINC001090263157 786267874 /nfs/dbraw/zinc/26/78/74/786267874.db2.gz BUDIJVYTHSOBQF-ZYHUDNBSSA-N 1 0 336.396 -1.546 20 0 EAADRO NC(=O)CN1CC[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@H](O)C1 ZINC001090266867 786268523 /nfs/dbraw/zinc/26/85/23/786268523.db2.gz XXDURBXVQPHGMO-GXTWGEPZSA-N 1 0 335.408 -1.132 20 0 EAADRO NC(=O)CN1CC[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@@H](O)C1 ZINC001090266868 786268875 /nfs/dbraw/zinc/26/88/75/786268875.db2.gz XXDURBXVQPHGMO-JSGCOSHPSA-N 1 0 335.408 -1.132 20 0 EAADRO NC(=O)CN1CC[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@@H](O)C1 ZINC001090266869 786268858 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-1.685 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267247 786268420 /nfs/dbraw/zinc/26/84/20/786268420.db2.gz AHFSTOYMTBXPOK-CHWSQXEVSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267248 786268892 /nfs/dbraw/zinc/26/88/92/786268892.db2.gz AHFSTOYMTBXPOK-OLZOCXBDSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267249 786268463 /nfs/dbraw/zinc/26/84/63/786268463.db2.gz AHFSTOYMTBXPOK-QWHCGFSZSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267250 786268709 /nfs/dbraw/zinc/26/87/09/786268709.db2.gz AHFSTOYMTBXPOK-STQMWFEESA-N 1 0 334.384 -1.799 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001090267339 786269161 /nfs/dbraw/zinc/26/91/61/786269161.db2.gz AXDBZKALZBNTMC-NEPJUHHUSA-N 1 0 341.408 -1.031 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](O)C1 ZINC001090267342 786269000 /nfs/dbraw/zinc/26/90/00/786269000.db2.gz AXDBZKALZBNTMC-NWDGAFQWSA-N 1 0 341.408 -1.031 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001090267343 786268908 /nfs/dbraw/zinc/26/89/08/786268908.db2.gz AXDBZKALZBNTMC-RYUDHWBXSA-N 1 0 341.408 -1.031 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](O)C1 ZINC001090267345 786268793 /nfs/dbraw/zinc/26/87/93/786268793.db2.gz AXDBZKALZBNTMC-VXGBXAGGSA-N 1 0 341.408 -1.031 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001090267496 786268576 /nfs/dbraw/zinc/26/85/76/786268576.db2.gz BSZXWYCSCDLBJY-CABCVRRESA-N 1 0 346.391 -1.083 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001090267499 786269037 /nfs/dbraw/zinc/26/90/37/786269037.db2.gz BSZXWYCSCDLBJY-GJZGRUSLSA-N 1 0 346.391 -1.083 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001090267503 786268497 /nfs/dbraw/zinc/26/84/97/786268497.db2.gz BSZXWYCSCDLBJY-HUUCEWRRSA-N 1 0 346.391 -1.083 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001090267507 786268840 /nfs/dbraw/zinc/26/88/40/786268840.db2.gz BSZXWYCSCDLBJY-LSDHHAIUSA-N 1 0 346.391 -1.083 20 0 EAADRO COc1ccc(CN2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)nn1 ZINC001090267946 786269786 /nfs/dbraw/zinc/26/97/86/786269786.db2.gz DZKSCTHAHOEVNT-NEPJUHHUSA-N 1 0 348.367 -1.777 20 0 EAADRO COc1ccc(CN2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)nn1 ZINC001090267947 786269658 /nfs/dbraw/zinc/26/96/58/786269658.db2.gz DZKSCTHAHOEVNT-NWDGAFQWSA-N 1 0 348.367 -1.777 20 0 EAADRO COc1ccc(CN2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)nn1 ZINC001090267948 786269817 /nfs/dbraw/zinc/26/98/17/786269817.db2.gz DZKSCTHAHOEVNT-RYUDHWBXSA-N 1 0 348.367 -1.777 20 0 EAADRO COc1ccc(CN2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)nn1 ZINC001090267949 786269562 /nfs/dbraw/zinc/26/95/62/786269562.db2.gz DZKSCTHAHOEVNT-VXGBXAGGSA-N 1 0 348.367 -1.777 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001090268026 786270152 /nfs/dbraw/zinc/27/01/52/786270152.db2.gz GCIPIGLAMZAHJT-NEPJUHHUSA-N 1 0 337.409 -1.076 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@H]1O ZINC001090268027 786269681 /nfs/dbraw/zinc/26/96/81/786269681.db2.gz GCIPIGLAMZAHJT-NWDGAFQWSA-N 1 0 337.409 -1.076 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001090268028 786270071 /nfs/dbraw/zinc/27/00/71/786270071.db2.gz GCIPIGLAMZAHJT-RYUDHWBXSA-N 1 0 337.409 -1.076 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCc2ccns2)C[C@H]1O ZINC001090268029 786269969 /nfs/dbraw/zinc/26/99/69/786269969.db2.gz GCIPIGLAMZAHJT-VXGBXAGGSA-N 1 0 337.409 -1.076 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cc1=O ZINC001090268067 786270260 /nfs/dbraw/zinc/27/02/60/786270260.db2.gz GMQQPNTXGWJJJJ-CHWSQXEVSA-N 1 0 347.379 -1.877 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cc1=O ZINC001090268068 786270019 /nfs/dbraw/zinc/27/00/19/786270019.db2.gz GMQQPNTXGWJJJJ-OLZOCXBDSA-N 1 0 347.379 -1.877 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cc1=O ZINC001090268069 786269913 /nfs/dbraw/zinc/26/99/13/786269913.db2.gz GMQQPNTXGWJJJJ-QWHCGFSZSA-N 1 0 347.379 -1.877 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cc1=O ZINC001090268070 786270087 /nfs/dbraw/zinc/27/00/87/786270087.db2.gz GMQQPNTXGWJJJJ-STQMWFEESA-N 1 0 347.379 -1.877 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cn1 ZINC001090268095 786269954 /nfs/dbraw/zinc/26/99/54/786269954.db2.gz GRPIREDHDWBCFT-CHWSQXEVSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001090268096 786269983 /nfs/dbraw/zinc/26/99/83/786269983.db2.gz GRPIREDHDWBCFT-OLZOCXBDSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cn1 ZINC001090268097 786270198 /nfs/dbraw/zinc/27/01/98/786270198.db2.gz GRPIREDHDWBCFT-QWHCGFSZSA-N 1 0 334.384 -1.799 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001090268098 786270034 /nfs/dbraw/zinc/27/00/34/786270034.db2.gz GRPIREDHDWBCFT-STQMWFEESA-N 1 0 334.384 -1.799 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)n1 ZINC001090268136 786269601 /nfs/dbraw/zinc/26/96/01/786269601.db2.gz HCBOENITLNMBMS-OLZOCXBDSA-N 1 0 349.399 -1.867 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)n1 ZINC001090268137 786269830 /nfs/dbraw/zinc/26/98/30/786269830.db2.gz HCBOENITLNMBMS-QWHCGFSZSA-N 1 0 349.399 -1.867 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)n1 ZINC001090268138 786270277 /nfs/dbraw/zinc/27/02/77/786270277.db2.gz HCBOENITLNMBMS-STQMWFEESA-N 1 0 349.399 -1.867 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)n1 ZINC001090268176 786270960 /nfs/dbraw/zinc/27/09/60/786270960.db2.gz HRHCQNVZVFYOGC-KBPBESRZSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)n1 ZINC001090268177 786271544 /nfs/dbraw/zinc/27/15/44/786271544.db2.gz HRHCQNVZVFYOGC-KGLIPLIRSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)n1 ZINC001090268178 786271305 /nfs/dbraw/zinc/27/13/05/786271305.db2.gz HRHCQNVZVFYOGC-UONOGXRCSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)n1 ZINC001090268179 786271036 /nfs/dbraw/zinc/27/10/36/786271036.db2.gz HRHCQNVZVFYOGC-ZIAGYGMSSA-N 1 0 348.411 -1.262 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090268453 786270813 /nfs/dbraw/zinc/27/08/13/786270813.db2.gz LNDFRLYISJWMNZ-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090268454 786270650 /nfs/dbraw/zinc/27/06/50/786270650.db2.gz LNDFRLYISJWMNZ-NWDGAFQWSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090268455 786271061 /nfs/dbraw/zinc/27/10/61/786271061.db2.gz LNDFRLYISJWMNZ-RYUDHWBXSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090268456 786270697 /nfs/dbraw/zinc/27/06/97/786270697.db2.gz LNDFRLYISJWMNZ-VXGBXAGGSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090270101 786272101 /nfs/dbraw/zinc/27/21/01/786272101.db2.gz WFCPFZYLTBDTMQ-GHMZBOCLSA-N 1 0 338.372 -2.750 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090270102 786272896 /nfs/dbraw/zinc/27/28/96/786272896.db2.gz WFCPFZYLTBDTMQ-MNOVXSKESA-N 1 0 338.372 -2.750 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090270103 786272595 /nfs/dbraw/zinc/27/25/95/786272595.db2.gz WFCPFZYLTBDTMQ-QWRGUYRKSA-N 1 0 338.372 -2.750 20 0 EAADRO CCc1nocc1CN1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270418 786273759 /nfs/dbraw/zinc/27/37/59/786273759.db2.gz XNAWCGLAQJBKLW-CHWSQXEVSA-N 1 0 335.368 -1.025 20 0 EAADRO CCc1nocc1CN1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270421 786273326 /nfs/dbraw/zinc/27/33/26/786273326.db2.gz XNAWCGLAQJBKLW-OLZOCXBDSA-N 1 0 335.368 -1.025 20 0 EAADRO CCc1nocc1CN1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270423 786273542 /nfs/dbraw/zinc/27/35/42/786273542.db2.gz XNAWCGLAQJBKLW-QWHCGFSZSA-N 1 0 335.368 -1.025 20 0 EAADRO CCc1nocc1CN1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270427 786273960 /nfs/dbraw/zinc/27/39/60/786273960.db2.gz XNAWCGLAQJBKLW-STQMWFEESA-N 1 0 335.368 -1.025 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)n1 ZINC001090272052 786276052 /nfs/dbraw/zinc/27/60/52/786276052.db2.gz LNRHAWILXWDHOC-AAEUAGOBSA-N 1 0 338.412 -1.905 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)n1 ZINC001090272053 786275394 /nfs/dbraw/zinc/27/53/94/786275394.db2.gz LNRHAWILXWDHOC-DGCLKSJQSA-N 1 0 338.412 -1.905 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)n1 ZINC001090272054 786275602 /nfs/dbraw/zinc/27/56/02/786275602.db2.gz LNRHAWILXWDHOC-WCQYABFASA-N 1 0 338.412 -1.905 20 0 EAADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)n1 ZINC001090272055 786275920 /nfs/dbraw/zinc/27/59/20/786275920.db2.gz LNRHAWILXWDHOC-YPMHNXCESA-N 1 0 338.412 -1.905 20 0 EAADRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)ncn1 ZINC001090272071 786276011 /nfs/dbraw/zinc/27/60/11/786276011.db2.gz LTHBBBMIFZCQIQ-AAEUAGOBSA-N 1 0 347.379 -1.058 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)ncn1 ZINC001090272072 786276122 /nfs/dbraw/zinc/27/61/22/786276122.db2.gz LTHBBBMIFZCQIQ-DGCLKSJQSA-N 1 0 347.379 -1.058 20 0 EAADRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)ncn1 ZINC001090272073 786275957 /nfs/dbraw/zinc/27/59/57/786275957.db2.gz LTHBBBMIFZCQIQ-WCQYABFASA-N 1 0 347.379 -1.058 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)ncn1 ZINC001090272074 786275754 /nfs/dbraw/zinc/27/57/54/786275754.db2.gz LTHBBBMIFZCQIQ-YPMHNXCESA-N 1 0 347.379 -1.058 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090273036 786276044 /nfs/dbraw/zinc/27/60/44/786276044.db2.gz AVSJFUDDXXLOJL-NEPJUHHUSA-N 1 0 338.412 -1.026 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090273039 786276145 /nfs/dbraw/zinc/27/61/45/786276145.db2.gz AVSJFUDDXXLOJL-NWDGAFQWSA-N 1 0 338.412 -1.026 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090273041 786275696 /nfs/dbraw/zinc/27/56/96/786275696.db2.gz AVSJFUDDXXLOJL-RYUDHWBXSA-N 1 0 338.412 -1.026 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090273044 786275431 /nfs/dbraw/zinc/27/54/31/786275431.db2.gz AVSJFUDDXXLOJL-VXGBXAGGSA-N 1 0 338.412 -1.026 20 0 EAADRO COc1cc(C(=O)N[C@H]2CCN(Cc3cnnn3C)C[C@@H]2O)ncn1 ZINC001090273538 786276556 /nfs/dbraw/zinc/27/65/56/786276556.db2.gz SXMPJKJNBLVETK-AAEUAGOBSA-N 1 0 347.379 -1.021 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CCN(Cc3cnnn3C)C[C@H]2O)ncn1 ZINC001090273540 786276534 /nfs/dbraw/zinc/27/65/34/786276534.db2.gz SXMPJKJNBLVETK-DGCLKSJQSA-N 1 0 347.379 -1.021 20 0 EAADRO COc1cc(C(=O)N[C@H]2CCN(Cc3cnnn3C)C[C@H]2O)ncn1 ZINC001090273541 786276505 /nfs/dbraw/zinc/27/65/05/786276505.db2.gz SXMPJKJNBLVETK-WCQYABFASA-N 1 0 347.379 -1.021 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CCN(Cc3cnnn3C)C[C@@H]2O)ncn1 ZINC001090273542 786276733 /nfs/dbraw/zinc/27/67/33/786276733.db2.gz SXMPJKJNBLVETK-YPMHNXCESA-N 1 0 347.379 -1.021 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@@H]2O)n1 ZINC001090274489 786276391 /nfs/dbraw/zinc/27/63/91/786276391.db2.gz HWSAKCCKJBLQPR-NEPJUHHUSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@H]2O)n1 ZINC001090274490 786276877 /nfs/dbraw/zinc/27/68/77/786276877.db2.gz HWSAKCCKJBLQPR-NWDGAFQWSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@@H]2O)n1 ZINC001090274491 786277073 /nfs/dbraw/zinc/27/70/73/786277073.db2.gz HWSAKCCKJBLQPR-RYUDHWBXSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@H]2O)n1 ZINC001090274492 786276306 /nfs/dbraw/zinc/27/63/06/786276306.db2.gz HWSAKCCKJBLQPR-VXGBXAGGSA-N 1 0 336.396 -1.272 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090275002 786277402 /nfs/dbraw/zinc/27/74/02/786277402.db2.gz JZOMJBGYLYRNER-NXEZZACHSA-N 1 0 326.357 -2.425 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090275003 786277891 /nfs/dbraw/zinc/27/78/91/786277891.db2.gz JZOMJBGYLYRNER-UWVGGRQHSA-N 1 0 326.357 -2.425 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090275004 786277836 /nfs/dbraw/zinc/27/78/36/786277836.db2.gz JZOMJBGYLYRNER-VHSXEESVSA-N 1 0 326.357 -2.425 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090275005 786277556 /nfs/dbraw/zinc/27/75/56/786277556.db2.gz JZOMJBGYLYRNER-ZJUUUORDSA-N 1 0 326.357 -2.425 20 0 EAADRO COc1cc(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C[C@@H]2O)ncn1 ZINC001090275342 786278060 /nfs/dbraw/zinc/27/80/60/786278060.db2.gz YMNXMQFXMRKLBO-AAEUAGOBSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C[C@H]2O)ncn1 ZINC001090275348 786278029 /nfs/dbraw/zinc/27/80/29/786278029.db2.gz YMNXMQFXMRKLBO-DGCLKSJQSA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cc(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C[C@H]2O)ncn1 ZINC001090275354 786278049 /nfs/dbraw/zinc/27/80/49/786278049.db2.gz YMNXMQFXMRKLBO-WCQYABFASA-N 1 0 349.391 -1.118 20 0 EAADRO COc1cc(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C[C@@H]2O)ncn1 ZINC001090275357 786277469 /nfs/dbraw/zinc/27/74/69/786277469.db2.gz YMNXMQFXMRKLBO-YPMHNXCESA-N 1 0 349.391 -1.118 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(C/C=C/Cl)C[C@@H]2O)n1 ZINC001090275854 786278076 /nfs/dbraw/zinc/27/80/76/786278076.db2.gz NHWUHVDPYJVYCS-AOXPZSFVSA-N 1 0 342.787 -1.319 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(C/C=C\Cl)C[C@H]2O)n1 ZINC001090275855 786277700 /nfs/dbraw/zinc/27/77/00/786277700.db2.gz NHWUHVDPYJVYCS-ATMFLTRRSA-N 1 0 342.787 -1.319 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(C/C=C\Cl)C[C@@H]2O)n1 ZINC001090275856 786277881 /nfs/dbraw/zinc/27/78/81/786277881.db2.gz NHWUHVDPYJVYCS-LPVNXEGMSA-N 1 0 342.787 -1.319 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(C/C=C/Cl)C[C@H]2O)n1 ZINC001090275857 786277313 /nfs/dbraw/zinc/27/73/13/786277313.db2.gz NHWUHVDPYJVYCS-XTYQLPPYSA-N 1 0 342.787 -1.319 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277413 786279047 /nfs/dbraw/zinc/27/90/47/786279047.db2.gz VINKFXPCKPPLIM-BDAKNGLRSA-N 1 0 339.356 -3.326 20 0 EAADRO CNC(=O)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277424 786278862 /nfs/dbraw/zinc/27/88/62/786278862.db2.gz VINKFXPCKPPLIM-DTWKUNHWSA-N 1 0 339.356 -3.326 20 0 EAADRO CNC(=O)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277426 786279287 /nfs/dbraw/zinc/27/92/87/786279287.db2.gz VINKFXPCKPPLIM-IUCAKERBSA-N 1 0 339.356 -3.326 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277428 786278812 /nfs/dbraw/zinc/27/88/12/786278812.db2.gz VINKFXPCKPPLIM-RKDXNWHRSA-N 1 0 339.356 -3.326 20 0 EAADRO CNC(=O)CN1CC[C@H](NC(=O)c2cncc3[nH]cnc32)[C@H](O)C1 ZINC001090277478 786278959 /nfs/dbraw/zinc/27/89/59/786278959.db2.gz VMYDJIZCVBKVNK-CMPLNLGQSA-N 1 0 332.364 -1.131 20 0 EAADRO CNC(=O)CN1CC[C@H](NC(=O)c2cncc3[nH]cnc32)[C@@H](O)C1 ZINC001090277483 786278947 /nfs/dbraw/zinc/27/89/47/786278947.db2.gz VMYDJIZCVBKVNK-JQWIXIFHSA-N 1 0 332.364 -1.131 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H](O)C1 ZINC001090277484 786278905 /nfs/dbraw/zinc/27/89/05/786278905.db2.gz VMYDJIZCVBKVNK-PWSUYJOCSA-N 1 0 332.364 -1.131 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H](O)C1 ZINC001090277485 786278558 /nfs/dbraw/zinc/27/85/58/786278558.db2.gz VMYDJIZCVBKVNK-ZYHUDNBSSA-N 1 0 332.364 -1.131 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277927 786279308 /nfs/dbraw/zinc/27/93/08/786279308.db2.gz YZUVHHQAHLSAIR-NEPJUHHUSA-N 1 0 336.396 -1.105 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277928 786278996 /nfs/dbraw/zinc/27/89/96/786278996.db2.gz YZUVHHQAHLSAIR-NWDGAFQWSA-N 1 0 336.396 -1.105 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277929 786278802 /nfs/dbraw/zinc/27/88/02/786278802.db2.gz YZUVHHQAHLSAIR-RYUDHWBXSA-N 1 0 336.396 -1.105 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277930 786278618 /nfs/dbraw/zinc/27/86/18/786278618.db2.gz YZUVHHQAHLSAIR-VXGBXAGGSA-N 1 0 336.396 -1.105 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+](CCC3CC3)C[C@@H]2O)n1 ZINC001090278032 786278886 /nfs/dbraw/zinc/27/88/86/786278886.db2.gz ZXDQPDVWHGYNGZ-NEPJUHHUSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@H]2O)n1 ZINC001090278035 786278987 /nfs/dbraw/zinc/27/89/87/786278987.db2.gz ZXDQPDVWHGYNGZ-NWDGAFQWSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@@H]2O)n1 ZINC001090278036 786279346 /nfs/dbraw/zinc/27/93/46/786279346.db2.gz ZXDQPDVWHGYNGZ-RYUDHWBXSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+](CCC3CC3)C[C@H]2O)n1 ZINC001090278040 786278500 /nfs/dbraw/zinc/27/85/00/786278500.db2.gz ZXDQPDVWHGYNGZ-VXGBXAGGSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)CN1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 ZINC001090279746 786280499 /nfs/dbraw/zinc/28/04/99/786280499.db2.gz OWPLTPQGVTVXIP-AAEUAGOBSA-N 1 0 332.360 -1.169 20 0 EAADRO CC(C)(C)n1nnc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090281050 786280310 /nfs/dbraw/zinc/28/03/10/786280310.db2.gz WQYVDDIWGPDTOV-GHMZBOCLSA-N 1 0 326.401 -1.025 20 0 EAADRO CC(C)(C)n1nnc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090281051 786280702 /nfs/dbraw/zinc/28/07/02/786280702.db2.gz WQYVDDIWGPDTOV-MNOVXSKESA-N 1 0 326.401 -1.025 20 0 EAADRO CC(C)(C)n1nnc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090281052 786280008 /nfs/dbraw/zinc/28/00/08/786280008.db2.gz WQYVDDIWGPDTOV-QWRGUYRKSA-N 1 0 326.401 -1.025 20 0 EAADRO CC(C)(C)n1nnc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090281053 786279925 /nfs/dbraw/zinc/27/99/25/786279925.db2.gz WQYVDDIWGPDTOV-WDEREUQCSA-N 1 0 326.401 -1.025 20 0 EAADRO CC1(C(=O)N[C@@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@@H]2O)CC1 ZINC001090285490 786281652 /nfs/dbraw/zinc/28/16/52/786281652.db2.gz GYKJXQIQHGWZCZ-NEPJUHHUSA-N 1 0 338.408 -1.704 20 0 EAADRO CC1(C(=O)N[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]2O)CC1 ZINC001090285491 786281662 /nfs/dbraw/zinc/28/16/62/786281662.db2.gz GYKJXQIQHGWZCZ-NWDGAFQWSA-N 1 0 338.408 -1.704 20 0 EAADRO CC1(C(=O)N[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@@H]2O)CC1 ZINC001090285492 786281430 /nfs/dbraw/zinc/28/14/30/786281430.db2.gz GYKJXQIQHGWZCZ-RYUDHWBXSA-N 1 0 338.408 -1.704 20 0 EAADRO CC1(C(=O)N[C@@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]2O)CC1 ZINC001090285493 786281145 /nfs/dbraw/zinc/28/11/45/786281145.db2.gz GYKJXQIQHGWZCZ-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001090290220 786284957 /nfs/dbraw/zinc/28/49/57/786284957.db2.gz RUROQURZZMFWMM-NEPJUHHUSA-N 1 0 335.364 -1.269 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001090290221 786285252 /nfs/dbraw/zinc/28/52/52/786285252.db2.gz RUROQURZZMFWMM-NWDGAFQWSA-N 1 0 335.364 -1.269 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001090290222 786284994 /nfs/dbraw/zinc/28/49/94/786284994.db2.gz RUROQURZZMFWMM-RYUDHWBXSA-N 1 0 335.364 -1.269 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001090290223 786284456 /nfs/dbraw/zinc/28/44/56/786284456.db2.gz RUROQURZZMFWMM-VXGBXAGGSA-N 1 0 335.364 -1.269 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)n1 ZINC001090291407 786287352 /nfs/dbraw/zinc/28/73/52/786287352.db2.gz GGRNCLVSPSGSAK-GHMZBOCLSA-N 1 0 326.401 -1.486 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)n1 ZINC001090291408 786287587 /nfs/dbraw/zinc/28/75/87/786287587.db2.gz GGRNCLVSPSGSAK-MNOVXSKESA-N 1 0 326.401 -1.486 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)n1 ZINC001090291409 786287389 /nfs/dbraw/zinc/28/73/89/786287389.db2.gz GGRNCLVSPSGSAK-QWRGUYRKSA-N 1 0 326.401 -1.486 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)n1 ZINC001090291410 786287717 /nfs/dbraw/zinc/28/77/17/786287717.db2.gz GGRNCLVSPSGSAK-WDEREUQCSA-N 1 0 326.401 -1.486 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090291629 786287706 /nfs/dbraw/zinc/28/77/06/786287706.db2.gz HTDYMQTVFXCMKP-NEPJUHHUSA-N 1 0 340.428 -1.096 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090291630 786287312 /nfs/dbraw/zinc/28/73/12/786287312.db2.gz HTDYMQTVFXCMKP-NWDGAFQWSA-N 1 0 340.428 -1.096 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090291631 786287487 /nfs/dbraw/zinc/28/74/87/786287487.db2.gz HTDYMQTVFXCMKP-RYUDHWBXSA-N 1 0 340.428 -1.096 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090291632 786287571 /nfs/dbraw/zinc/28/75/71/786287571.db2.gz HTDYMQTVFXCMKP-VXGBXAGGSA-N 1 0 340.428 -1.096 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cc1=O ZINC001090294794 786288601 /nfs/dbraw/zinc/28/86/01/786288601.db2.gz HPXGIBUTLGGIBF-KBPBESRZSA-N 1 0 346.391 -1.272 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cc1=O ZINC001090294795 786288080 /nfs/dbraw/zinc/28/80/80/786288080.db2.gz HPXGIBUTLGGIBF-KGLIPLIRSA-N 1 0 346.391 -1.272 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@H](O)C2)cc1=O ZINC001090294796 786288672 /nfs/dbraw/zinc/28/86/72/786288672.db2.gz HPXGIBUTLGGIBF-UONOGXRCSA-N 1 0 346.391 -1.272 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@H](O)C2)cc1=O ZINC001090294797 786288307 /nfs/dbraw/zinc/28/83/07/786288307.db2.gz HPXGIBUTLGGIBF-ZIAGYGMSSA-N 1 0 346.391 -1.272 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cn1 ZINC001090296745 786288742 /nfs/dbraw/zinc/28/87/42/786288742.db2.gz CAICKNQIRYPWRS-KBPBESRZSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cn1 ZINC001090296746 786288378 /nfs/dbraw/zinc/28/83/78/786288378.db2.gz CAICKNQIRYPWRS-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@H](O)C2)cn1 ZINC001090296747 786288789 /nfs/dbraw/zinc/28/87/89/786288789.db2.gz CAICKNQIRYPWRS-UONOGXRCSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@H](O)C2)cn1 ZINC001090296748 786288286 /nfs/dbraw/zinc/28/82/86/786288286.db2.gz CAICKNQIRYPWRS-ZIAGYGMSSA-N 1 0 333.396 -1.194 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090297198 786290318 /nfs/dbraw/zinc/29/03/18/786290318.db2.gz GZEGZABBPPBBDT-NEPJUHHUSA-N 1 0 337.384 -2.145 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090297200 786289296 /nfs/dbraw/zinc/28/92/96/786289296.db2.gz GZEGZABBPPBBDT-NWDGAFQWSA-N 1 0 337.384 -2.145 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090297201 786289349 /nfs/dbraw/zinc/28/93/49/786289349.db2.gz GZEGZABBPPBBDT-RYUDHWBXSA-N 1 0 337.384 -2.145 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090297202 786289429 /nfs/dbraw/zinc/28/94/29/786289429.db2.gz GZEGZABBPPBBDT-VXGBXAGGSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297229 786290271 /nfs/dbraw/zinc/29/02/71/786290271.db2.gz HJKDJVILFKSXKN-KBPBESRZSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297230 786289854 /nfs/dbraw/zinc/28/98/54/786289854.db2.gz HJKDJVILFKSXKN-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297231 786289887 /nfs/dbraw/zinc/28/98/87/786289887.db2.gz HJKDJVILFKSXKN-UONOGXRCSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297232 786289414 /nfs/dbraw/zinc/28/94/14/786289414.db2.gz HJKDJVILFKSXKN-ZIAGYGMSSA-N 1 0 333.396 -1.194 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090297989 786289786 /nfs/dbraw/zinc/28/97/86/786289786.db2.gz MDKIDDZSPBBRIJ-CHWSQXEVSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090297991 786290145 /nfs/dbraw/zinc/29/01/45/786290145.db2.gz MDKIDDZSPBBRIJ-OLZOCXBDSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090297992 786290358 /nfs/dbraw/zinc/29/03/58/786290358.db2.gz MDKIDDZSPBBRIJ-QWHCGFSZSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090297994 786289585 /nfs/dbraw/zinc/28/95/85/786289585.db2.gz MDKIDDZSPBBRIJ-STQMWFEESA-N 1 0 336.396 -1.548 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@@H](O)C2)n1 ZINC001090299517 786289402 /nfs/dbraw/zinc/28/94/02/786289402.db2.gz ZLJNEQPSCUEKEE-KBPBESRZSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)n1 ZINC001090299518 786290225 /nfs/dbraw/zinc/29/02/25/786290225.db2.gz ZLJNEQPSCUEKEE-KGLIPLIRSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@H](O)C2)n1 ZINC001090299519 786289325 /nfs/dbraw/zinc/28/93/25/786289325.db2.gz ZLJNEQPSCUEKEE-UONOGXRCSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@H](O)C2)n1 ZINC001090299520 786289950 /nfs/dbraw/zinc/28/99/50/786289950.db2.gz ZLJNEQPSCUEKEE-ZIAGYGMSSA-N 1 0 348.411 -1.262 20 0 EAADRO NC(=O)COc1cccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)c1 ZINC001090306793 786290868 /nfs/dbraw/zinc/29/08/68/786290868.db2.gz LRJWFSRQUIAROB-KBPBESRZSA-N 1 0 337.376 -1.292 20 0 EAADRO NC(=O)COc1cccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)c1 ZINC001090306794 786291401 /nfs/dbraw/zinc/29/14/01/786291401.db2.gz LRJWFSRQUIAROB-KGLIPLIRSA-N 1 0 337.376 -1.292 20 0 EAADRO NC(=O)COc1cccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)c1 ZINC001090306795 786290602 /nfs/dbraw/zinc/29/06/02/786290602.db2.gz LRJWFSRQUIAROB-UONOGXRCSA-N 1 0 337.376 -1.292 20 0 EAADRO NC(=O)COc1cccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)c1 ZINC001090306796 786290895 /nfs/dbraw/zinc/29/08/95/786290895.db2.gz LRJWFSRQUIAROB-ZIAGYGMSSA-N 1 0 337.376 -1.292 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)c1cn(-c2cccnc2)nn1 ZINC001090309295 786291984 /nfs/dbraw/zinc/29/19/84/786291984.db2.gz FMMGWEMIFMKPEJ-GXTWGEPZSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1cn(-c2cccnc2)nn1 ZINC001090309296 786291836 /nfs/dbraw/zinc/29/18/36/786291836.db2.gz FMMGWEMIFMKPEJ-JSGCOSHPSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)c1cn(-c2cccnc2)nn1 ZINC001090309297 786290701 /nfs/dbraw/zinc/29/07/01/786290701.db2.gz FMMGWEMIFMKPEJ-OCCSQVGLSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)c1cn(-c2cccnc2)nn1 ZINC001090309298 786291691 /nfs/dbraw/zinc/29/16/91/786291691.db2.gz FMMGWEMIFMKPEJ-TZMCWYRMSA-N 1 0 332.364 -1.180 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O)c1=O ZINC001090309319 786291636 /nfs/dbraw/zinc/29/16/36/786291636.db2.gz FVVGENPLUKSBMM-CHWSQXEVSA-N 1 0 336.392 -1.492 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001090309320 786291855 /nfs/dbraw/zinc/29/18/55/786291855.db2.gz FVVGENPLUKSBMM-OLZOCXBDSA-N 1 0 336.392 -1.492 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@H]2O)c1=O ZINC001090309321 786291350 /nfs/dbraw/zinc/29/13/50/786291350.db2.gz FVVGENPLUKSBMM-QWHCGFSZSA-N 1 0 336.392 -1.492 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001090309322 786291622 /nfs/dbraw/zinc/29/16/22/786291622.db2.gz FVVGENPLUKSBMM-STQMWFEESA-N 1 0 336.392 -1.492 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090309792 786290947 /nfs/dbraw/zinc/29/09/47/786290947.db2.gz IPZJFLOFTRBYGC-NEPJUHHUSA-N 1 0 335.426 -1.780 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090309794 786291497 /nfs/dbraw/zinc/29/14/97/786291497.db2.gz IPZJFLOFTRBYGC-NWDGAFQWSA-N 1 0 335.426 -1.780 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090309795 786291819 /nfs/dbraw/zinc/29/18/19/786291819.db2.gz IPZJFLOFTRBYGC-RYUDHWBXSA-N 1 0 335.426 -1.780 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090309796 786291598 /nfs/dbraw/zinc/29/15/98/786291598.db2.gz IPZJFLOFTRBYGC-VXGBXAGGSA-N 1 0 335.426 -1.780 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090309989 786291171 /nfs/dbraw/zinc/29/11/71/786291171.db2.gz JUEOZPKOUORRQY-NEPJUHHUSA-N 1 0 337.417 -1.067 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090309995 786291469 /nfs/dbraw/zinc/29/14/69/786291469.db2.gz JUEOZPKOUORRQY-NWDGAFQWSA-N 1 0 337.417 -1.067 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090309997 786291082 /nfs/dbraw/zinc/29/10/82/786291082.db2.gz JUEOZPKOUORRQY-RYUDHWBXSA-N 1 0 337.417 -1.067 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090309999 786291571 /nfs/dbraw/zinc/29/15/71/786291571.db2.gz JUEOZPKOUORRQY-VXGBXAGGSA-N 1 0 337.417 -1.067 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090310079 786292024 /nfs/dbraw/zinc/29/20/24/786292024.db2.gz KFAWEPBTGZZPJL-NEPJUHHUSA-N 1 0 340.380 -2.255 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090310080 786291259 /nfs/dbraw/zinc/29/12/59/786291259.db2.gz KFAWEPBTGZZPJL-NWDGAFQWSA-N 1 0 340.380 -2.255 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090310081 786291445 /nfs/dbraw/zinc/29/14/45/786291445.db2.gz KFAWEPBTGZZPJL-RYUDHWBXSA-N 1 0 340.380 -2.255 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090310082 786291783 /nfs/dbraw/zinc/29/17/83/786291783.db2.gz KFAWEPBTGZZPJL-VXGBXAGGSA-N 1 0 340.380 -2.255 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)c1=O ZINC001090311027 786291287 /nfs/dbraw/zinc/29/12/87/786291287.db2.gz PLSXGQQQEBAVLF-NEPJUHHUSA-N 1 0 340.380 -2.519 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)c1=O ZINC001090311029 786290726 /nfs/dbraw/zinc/29/07/26/786290726.db2.gz PLSXGQQQEBAVLF-NWDGAFQWSA-N 1 0 340.380 -2.519 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)c1=O ZINC001090311031 786290687 /nfs/dbraw/zinc/29/06/87/786290687.db2.gz PLSXGQQQEBAVLF-RYUDHWBXSA-N 1 0 340.380 -2.519 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)c1=O ZINC001090311033 786290653 /nfs/dbraw/zinc/29/06/53/786290653.db2.gz PLSXGQQQEBAVLF-VXGBXAGGSA-N 1 0 340.380 -2.519 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)c1=O ZINC001090311144 786291320 /nfs/dbraw/zinc/29/13/20/786291320.db2.gz QRKCGLSUPBJXRY-GHMZBOCLSA-N 1 0 326.353 -2.909 20 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/nfs/dbraw/zinc/29/23/11/786292311.db2.gz RTQATMFDXSZAQG-QWHCGFSZSA-N 1 0 331.438 -1.017 20 0 EAADRO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090311339 786293191 /nfs/dbraw/zinc/29/31/91/786293191.db2.gz RTQATMFDXSZAQG-STQMWFEESA-N 1 0 331.438 -1.017 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)c1=O ZINC001090311398 786292478 /nfs/dbraw/zinc/29/24/78/786292478.db2.gz SPXYAWGMSBVNOX-NEPJUHHUSA-N 1 0 342.371 -1.542 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)c1=O ZINC001090311409 786292798 /nfs/dbraw/zinc/29/27/98/786292798.db2.gz SPXYAWGMSBVNOX-NWDGAFQWSA-N 1 0 342.371 -1.542 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)c1=O ZINC001090311411 786292856 /nfs/dbraw/zinc/29/28/56/786292856.db2.gz SPXYAWGMSBVNOX-RYUDHWBXSA-N 1 0 342.371 -1.542 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2O)c1=O ZINC001090311413 786292925 /nfs/dbraw/zinc/29/29/25/786292925.db2.gz SPXYAWGMSBVNOX-VXGBXAGGSA-N 1 0 342.371 -1.542 20 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EAADRO CN1CCN(CC(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)CC1=O ZINC001090367439 786308237 /nfs/dbraw/zinc/30/82/37/786308237.db2.gz FWUNDKCPEIETGO-OLZOCXBDSA-N 1 0 330.404 -1.329 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)CC1=O ZINC001090367440 786308256 /nfs/dbraw/zinc/30/82/56/786308256.db2.gz FWUNDKCPEIETGO-QWHCGFSZSA-N 1 0 330.404 -1.329 20 0 EAADRO CN1CCN(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)CC1=O ZINC001090367441 786308144 /nfs/dbraw/zinc/30/81/44/786308144.db2.gz FWUNDKCPEIETGO-STQMWFEESA-N 1 0 330.404 -1.329 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](O)C1 ZINC001090367631 786309789 /nfs/dbraw/zinc/30/97/89/786309789.db2.gz HRIOVXRMHSPZFU-GHMZBOCLSA-N 1 0 347.393 -1.262 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001090367632 786309162 /nfs/dbraw/zinc/30/91/62/786309162.db2.gz HRIOVXRMHSPZFU-MNOVXSKESA-N 1 0 347.393 -1.262 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001090367633 786309045 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20 0 EAADRO NC(=O)CN1CC[C@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@H](O)C1 ZINC001090380666 786323202 /nfs/dbraw/zinc/32/32/02/786323202.db2.gz FUWFKQZQBSECSV-WCQYABFASA-N 1 0 344.375 -1.082 20 0 EAADRO NC(=O)CN1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001090380668 786323479 /nfs/dbraw/zinc/32/34/79/786323479.db2.gz FUWFKQZQBSECSV-YPMHNXCESA-N 1 0 344.375 -1.082 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](O)C1 ZINC001090381168 786323466 /nfs/dbraw/zinc/32/34/66/786323466.db2.gz IRWYBFSXMNBFLT-NEPJUHHUSA-N 1 0 327.360 -1.236 20 0 EAADRO CNC(=O)CN1CC[C@H](NC(=O)c2cnn(CCF)c2)[C@H](O)C1 ZINC001090381169 786322371 /nfs/dbraw/zinc/32/23/71/786322371.db2.gz IRWYBFSXMNBFLT-NWDGAFQWSA-N 1 0 327.360 -1.236 20 0 EAADRO CNC(=O)CN1CC[C@H](NC(=O)c2cnn(CCF)c2)[C@@H](O)C1 ZINC001090381170 786322503 /nfs/dbraw/zinc/32/25/03/786322503.db2.gz IRWYBFSXMNBFLT-RYUDHWBXSA-N 1 0 327.360 -1.236 20 0 EAADRO CNC(=O)CN1CC[C@@H](NC(=O)c2cnn(CCF)c2)[C@H](O)C1 ZINC001090381171 786322449 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334.384 -1.122 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)n1 ZINC001090388774 786326568 /nfs/dbraw/zinc/32/65/68/786326568.db2.gz SLGAALSZUBNNKW-YPMHNXCESA-N 1 0 334.384 -1.122 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)cc1=O ZINC001090389766 786328079 /nfs/dbraw/zinc/32/80/79/786328079.db2.gz ZIGTYOJEMYWDHA-AAEUAGOBSA-N 1 0 332.364 -1.131 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)[C@H](O)C2)cc1=O ZINC001090389769 786327515 /nfs/dbraw/zinc/32/75/15/786327515.db2.gz ZIGTYOJEMYWDHA-DGCLKSJQSA-N 1 0 332.364 -1.131 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@H](O)C2)cc1=O ZINC001090389774 786327931 /nfs/dbraw/zinc/32/79/31/786327931.db2.gz ZIGTYOJEMYWDHA-WCQYABFASA-N 1 0 332.364 -1.131 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)cc1=O ZINC001090389780 786328241 /nfs/dbraw/zinc/32/82/41/786328241.db2.gz ZIGTYOJEMYWDHA-YPMHNXCESA-N 1 0 332.364 -1.131 20 0 EAADRO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)ccc1=O ZINC001090392846 786327311 /nfs/dbraw/zinc/32/73/11/786327311.db2.gz WNRFVNLXVJSKHI-KBPBESRZSA-N 1 0 339.392 -1.348 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)ccc1=O ZINC001090392847 786328638 /nfs/dbraw/zinc/32/86/38/786328638.db2.gz WNRFVNLXVJSKHI-KGLIPLIRSA-N 1 0 339.392 -1.348 20 0 EAADRO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)ccc1=O ZINC001090392848 786327361 /nfs/dbraw/zinc/32/73/61/786327361.db2.gz WNRFVNLXVJSKHI-UONOGXRCSA-N 1 0 339.392 -1.348 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)ccc1=O ZINC001090392849 786328787 /nfs/dbraw/zinc/32/87/87/786328787.db2.gz WNRFVNLXVJSKHI-ZIAGYGMSSA-N 1 0 339.392 -1.348 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)ccc1=O ZINC001090392966 786327787 /nfs/dbraw/zinc/32/77/87/786327787.db2.gz YFZMAGOLQRTPCM-KBPBESRZSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)ccc1=O ZINC001090392967 786328510 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ZINC001090393897 786329996 /nfs/dbraw/zinc/32/99/96/786329996.db2.gz QQBSCTQQRJITIO-CHWSQXEVSA-N 1 0 349.439 -1.110 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)n1 ZINC001090393898 786330412 /nfs/dbraw/zinc/33/04/12/786330412.db2.gz QQBSCTQQRJITIO-OLZOCXBDSA-N 1 0 349.439 -1.110 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](O)C2)n1 ZINC001090393899 786330117 /nfs/dbraw/zinc/33/01/17/786330117.db2.gz QQBSCTQQRJITIO-QWHCGFSZSA-N 1 0 349.439 -1.110 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)n1 ZINC001090393900 786330198 /nfs/dbraw/zinc/33/01/98/786330198.db2.gz QQBSCTQQRJITIO-STQMWFEESA-N 1 0 349.439 -1.110 20 0 EAADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)o1 ZINC001090393970 786329910 /nfs/dbraw/zinc/32/99/10/786329910.db2.gz SFOFXUWFJPZFPZ-BDAKNGLRSA-N 1 0 333.366 -1.916 20 0 EAADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)o1 ZINC001090393972 786329635 /nfs/dbraw/zinc/32/96/35/786329635.db2.gz 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346.391 -1.158 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)ncc1=O ZINC001090445509 786707244 /nfs/dbraw/zinc/70/72/44/786707244.db2.gz MWSCHLLMAKSRPS-TZMCWYRMSA-N 1 0 346.391 -1.158 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)co1 ZINC001090447853 786717197 /nfs/dbraw/zinc/71/71/97/786717197.db2.gz FIBGKXWQFSHMPP-NEPJUHHUSA-N 1 0 348.363 -1.165 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)co1 ZINC001090447854 786716738 /nfs/dbraw/zinc/71/67/38/786716738.db2.gz FIBGKXWQFSHMPP-NWDGAFQWSA-N 1 0 348.363 -1.165 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)co1 ZINC001090447855 786717289 /nfs/dbraw/zinc/71/72/89/786717289.db2.gz FIBGKXWQFSHMPP-RYUDHWBXSA-N 1 0 348.363 -1.165 20 0 EAADRO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)co1 ZINC001090447856 786717002 /nfs/dbraw/zinc/71/70/02/786717002.db2.gz FIBGKXWQFSHMPP-VXGBXAGGSA-N 1 0 348.363 -1.165 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1csnn1 ZINC001090451212 786742056 /nfs/dbraw/zinc/74/20/56/786742056.db2.gz FPWIGPVRZUIIQB-GXSJLCMTSA-N 1 0 340.409 -1.272 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1csnn1 ZINC001090451213 786742145 /nfs/dbraw/zinc/74/21/45/786742145.db2.gz FPWIGPVRZUIIQB-KOLCDFICSA-N 1 0 340.409 -1.272 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1csnn1 ZINC001090451214 786741832 /nfs/dbraw/zinc/74/18/32/786741832.db2.gz FPWIGPVRZUIIQB-MWLCHTKSSA-N 1 0 340.409 -1.272 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1csnn1 ZINC001090451215 786742282 /nfs/dbraw/zinc/74/22/82/786742282.db2.gz FPWIGPVRZUIIQB-ONGXEEELSA-N 1 0 340.409 -1.272 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O ZINC001090453007 786754514 /nfs/dbraw/zinc/75/45/14/786754514.db2.gz ARVASALMMRWNPS-VXGBXAGGSA-N 1 0 327.360 -1.140 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O ZINC001090453102 786756002 /nfs/dbraw/zinc/75/60/02/786756002.db2.gz CXZBZNXGTYZFDY-GHMZBOCLSA-N 1 0 327.360 -1.140 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O ZINC001090453184 786756069 /nfs/dbraw/zinc/75/60/69/786756069.db2.gz GRALRZBQCLWULO-GHMZBOCLSA-N 1 0 327.360 -1.140 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O ZINC001090453528 786757200 /nfs/dbraw/zinc/75/72/00/786757200.db2.gz LXTFJBOXWYMBIN-GHMZBOCLSA-N 1 0 327.360 -1.140 20 0 EAADRO COc1ccnc(N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001090453751 786756712 /nfs/dbraw/zinc/75/67/12/786756712.db2.gz PBXPKTMPLIRSLX-VXGBXAGGSA-N 1 0 339.396 -1.271 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1O ZINC001090453910 786758082 /nfs/dbraw/zinc/75/80/82/786758082.db2.gz SUQWRDGECBUQPG-GHMZBOCLSA-N 1 0 349.395 -1.403 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O)[NH+](C)C ZINC001090454666 786757636 /nfs/dbraw/zinc/75/76/36/786757636.db2.gz ICNGWSZZXHGPLU-GMTAPVOTSA-N 1 0 334.384 -1.475 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O)[NH+](C)C ZINC001090454667 786757541 /nfs/dbraw/zinc/75/75/41/786757541.db2.gz ICNGWSZZXHGPLU-OUAUKWLOSA-N 1 0 334.384 -1.475 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@H]1O)[NH+](C)C ZINC001090455197 786759328 /nfs/dbraw/zinc/75/93/28/786759328.db2.gz PNMFZXIJEYEXCR-GMTAPVOTSA-N 1 0 348.411 -1.236 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@H]1O)[NH+](C)C ZINC001090455198 786759270 /nfs/dbraw/zinc/75/92/70/786759270.db2.gz PNMFZXIJEYEXCR-OUAUKWLOSA-N 1 0 348.411 -1.236 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O)[NH+](C)C ZINC001090455422 786759655 /nfs/dbraw/zinc/75/96/55/786759655.db2.gz UZRPKCIUWLLSGG-GMTAPVOTSA-N 1 0 334.384 -1.475 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O)[NH+](C)C ZINC001090455423 786759343 /nfs/dbraw/zinc/75/93/43/786759343.db2.gz UZRPKCIUWLLSGG-OUAUKWLOSA-N 1 0 334.384 -1.475 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1cncc(-n2ccnn2)c1 ZINC001090455935 786759289 /nfs/dbraw/zinc/75/92/89/786759289.db2.gz 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WPSOURLXBHLHJV-VXGBXAGGSA-N 1 0 334.384 -1.649 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001090498180 787024006 /nfs/dbraw/zinc/02/40/06/787024006.db2.gz ZIIGPVALRQZSJO-NXEZZACHSA-N 1 0 338.372 -2.600 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001090498181 787023153 /nfs/dbraw/zinc/02/31/53/787023153.db2.gz ZIIGPVALRQZSJO-UWVGGRQHSA-N 1 0 338.372 -2.600 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001090498182 787025228 /nfs/dbraw/zinc/02/52/28/787025228.db2.gz ZIIGPVALRQZSJO-VHSXEESVSA-N 1 0 338.372 -2.600 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001090498183 787024420 /nfs/dbraw/zinc/02/44/20/787024420.db2.gz ZIIGPVALRQZSJO-ZJUUUORDSA-N 1 0 338.372 -2.600 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCN(CC(=O)N3CCCC3)C[C@H]2O)n1 ZINC001090498280 787024189 /nfs/dbraw/zinc/02/41/89/787024189.db2.gz ZUZFTJHQSZASLZ-GHMZBOCLSA-N 1 0 337.384 -2.003 20 0 EAADRO Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)n1 ZINC001090498889 787027908 /nfs/dbraw/zinc/02/79/08/787027908.db2.gz DYHLGSPMVPDCIR-CHWSQXEVSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)n1 ZINC001090498892 787028234 /nfs/dbraw/zinc/02/82/34/787028234.db2.gz DYHLGSPMVPDCIR-OLZOCXBDSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)n1 ZINC001090498894 787028285 /nfs/dbraw/zinc/02/82/85/787028285.db2.gz DYHLGSPMVPDCIR-QWHCGFSZSA-N 1 0 348.411 -1.111 20 0 EAADRO Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)n1 ZINC001090498896 787028045 /nfs/dbraw/zinc/02/80/45/787028045.db2.gz DYHLGSPMVPDCIR-STQMWFEESA-N 1 0 348.411 -1.111 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@H]2O)CCC1 ZINC001090499291 787030288 /nfs/dbraw/zinc/03/02/88/787030288.db2.gz APVUVTLSZICDMJ-GHMZBOCLSA-N 1 0 346.395 -1.331 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]2O)CCC1 ZINC001090499968 787045870 /nfs/dbraw/zinc/04/58/70/787045870.db2.gz NLPROFFIMQTEEA-GHMZBOCLSA-N 1 0 346.395 -1.331 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O)C1CC1 ZINC001090500192 787050358 /nfs/dbraw/zinc/05/03/58/787050358.db2.gz RBGVUVMBHIHCDC-IJLUTSLNSA-N 1 0 346.395 -1.475 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O)C1CC1 ZINC001090500193 787050413 /nfs/dbraw/zinc/05/04/13/787050413.db2.gz RBGVUVMBHIHCDC-UTUOFQBUSA-N 1 0 346.395 -1.475 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090500567 787054528 /nfs/dbraw/zinc/05/45/28/787054528.db2.gz PSHJNAFGTSMJNE-BJJPWKGXSA-N 1 0 338.408 -1.545 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090500571 787056004 /nfs/dbraw/zinc/05/60/04/787056004.db2.gz PSHJNAFGTSMJNE-ITGHMWBKSA-N 1 0 338.408 -1.545 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090500573 787056200 /nfs/dbraw/zinc/05/62/00/787056200.db2.gz PSHJNAFGTSMJNE-MEBFFEOJSA-N 1 0 338.408 -1.545 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090500575 787055750 /nfs/dbraw/zinc/05/57/50/787055750.db2.gz PSHJNAFGTSMJNE-ZUWCUPBKSA-N 1 0 338.408 -1.545 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O)C1CC1 ZINC001090500676 787057788 /nfs/dbraw/zinc/05/77/88/787057788.db2.gz XXZAGESXFUAHIF-GYSYKLTISA-N 1 0 346.395 -1.475 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O)C1CC1 ZINC001090500680 787057603 /nfs/dbraw/zinc/05/76/03/787057603.db2.gz XXZAGESXFUAHIF-JTNHKYCSSA-N 1 0 346.395 -1.475 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001090500698 787055160 /nfs/dbraw/zinc/05/51/60/787055160.db2.gz QMBXUMCRVKZSKN-GHMZBOCLSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001090500701 787054486 /nfs/dbraw/zinc/05/44/86/787054486.db2.gz QMBXUMCRVKZSKN-MNOVXSKESA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001090500704 787055660 /nfs/dbraw/zinc/05/56/60/787055660.db2.gz QMBXUMCRVKZSKN-QWRGUYRKSA-N 1 0 337.384 -2.003 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001090500706 787054583 /nfs/dbraw/zinc/05/45/83/787054583.db2.gz QMBXUMCRVKZSKN-WDEREUQCSA-N 1 0 337.384 -2.003 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001090504121 787123925 /nfs/dbraw/zinc/12/39/25/787123925.db2.gz RXZQXWYERDBSGJ-GHMZBOCLSA-N 1 0 348.411 -1.085 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001090504131 787125410 /nfs/dbraw/zinc/12/54/10/787125410.db2.gz SLUFYHIOVJOLFC-GHMZBOCLSA-N 1 0 348.411 -1.085 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090513345 787208804 /nfs/dbraw/zinc/20/88/04/787208804.db2.gz ISSMCMIDCCIVMM-NEPJUHHUSA-N 1 0 347.379 -1.053 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090513346 787209150 /nfs/dbraw/zinc/20/91/50/787209150.db2.gz ISSMCMIDCCIVMM-NWDGAFQWSA-N 1 0 347.379 -1.053 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090513349 787209667 /nfs/dbraw/zinc/20/96/67/787209667.db2.gz ISSMCMIDCCIVMM-RYUDHWBXSA-N 1 0 347.379 -1.053 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090513352 787210728 /nfs/dbraw/zinc/21/07/28/787210728.db2.gz ISSMCMIDCCIVMM-VXGBXAGGSA-N 1 0 347.379 -1.053 20 0 EAADRO O=C(Cc1cnoc1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090515028 787214905 /nfs/dbraw/zinc/21/49/05/787214905.db2.gz RCVUIWILNGQJQN-CHWSQXEVSA-N 1 0 337.380 -1.206 20 0 EAADRO O=C(Cc1cnoc1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090515029 787215102 /nfs/dbraw/zinc/21/51/02/787215102.db2.gz RCVUIWILNGQJQN-OLZOCXBDSA-N 1 0 337.380 -1.206 20 0 EAADRO O=C(Cc1cnoc1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090515030 787215036 /nfs/dbraw/zinc/21/50/36/787215036.db2.gz RCVUIWILNGQJQN-QWHCGFSZSA-N 1 0 337.380 -1.206 20 0 EAADRO O=C(Cc1cnoc1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090515031 787214337 /nfs/dbraw/zinc/21/43/37/787214337.db2.gz RCVUIWILNGQJQN-STQMWFEESA-N 1 0 337.380 -1.206 20 0 EAADRO NC(=O)Cc1occc1C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090519594 787243442 /nfs/dbraw/zinc/24/34/42/787243442.db2.gz JISUCQPRWSPNDV-NEPJUHHUSA-N 1 0 325.365 -1.145 20 0 EAADRO NC(=O)Cc1occc1C(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090519595 787242992 /nfs/dbraw/zinc/24/29/92/787242992.db2.gz JISUCQPRWSPNDV-NWDGAFQWSA-N 1 0 325.365 -1.145 20 0 EAADRO NC(=O)Cc1occc1C(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090519596 787243804 /nfs/dbraw/zinc/24/38/04/787243804.db2.gz JISUCQPRWSPNDV-RYUDHWBXSA-N 1 0 325.365 -1.145 20 0 EAADRO NC(=O)Cc1occc1C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090519597 787243395 /nfs/dbraw/zinc/24/33/95/787243395.db2.gz JISUCQPRWSPNDV-VXGBXAGGSA-N 1 0 325.365 -1.145 20 0 EAADRO Cn1nnc2c1nccc2C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090521759 787274517 /nfs/dbraw/zinc/27/45/17/787274517.db2.gz CUXNEFZKLGAHIM-NEPJUHHUSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1nnc2c1nccc2C(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090521761 787274227 /nfs/dbraw/zinc/27/42/27/787274227.db2.gz CUXNEFZKLGAHIM-NWDGAFQWSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1nnc2c1nccc2C(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090521763 787273971 /nfs/dbraw/zinc/27/39/71/787273971.db2.gz CUXNEFZKLGAHIM-RYUDHWBXSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1nnc2c1nccc2C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090521764 787274268 /nfs/dbraw/zinc/27/42/68/787274268.db2.gz CUXNEFZKLGAHIM-VXGBXAGGSA-N 1 0 334.380 -1.089 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090521936 787279109 /nfs/dbraw/zinc/27/91/09/787279109.db2.gz BZBZJBOGVAYKAB-GXTWGEPZSA-N 1 0 346.391 -1.089 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090521937 787278417 /nfs/dbraw/zinc/27/84/17/787278417.db2.gz BZBZJBOGVAYKAB-JSGCOSHPSA-N 1 0 346.391 -1.089 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090521938 787278942 /nfs/dbraw/zinc/27/89/42/787278942.db2.gz BZBZJBOGVAYKAB-OCCSQVGLSA-N 1 0 346.391 -1.089 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090521939 787278813 /nfs/dbraw/zinc/27/88/13/787278813.db2.gz BZBZJBOGVAYKAB-TZMCWYRMSA-N 1 0 346.391 -1.089 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001090522489 787295257 /nfs/dbraw/zinc/29/52/57/787295257.db2.gz KVDGSLPYKHFUHZ-GHMZBOCLSA-N 1 0 348.411 -1.234 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001090522797 787299194 /nfs/dbraw/zinc/29/91/94/787299194.db2.gz RNNSODNUUUDUAF-GHMZBOCLSA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001090522992 787304617 /nfs/dbraw/zinc/30/46/17/787304617.db2.gz WSAQQJUEDXKHKP-GHMZBOCLSA-N 1 0 334.384 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ZINC001090525191 787322682 /nfs/dbraw/zinc/32/26/82/787322682.db2.gz NERCZUHCSVUCOD-VXGBXAGGSA-N 1 0 337.428 -1.137 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H](O)C2)cn1 ZINC001090525327 787321923 /nfs/dbraw/zinc/32/19/23/787321923.db2.gz KORMZIOKFQXNKL-GXTWGEPZSA-N 1 0 346.391 -1.089 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)cn1 ZINC001090525329 787322188 /nfs/dbraw/zinc/32/21/88/787322188.db2.gz KORMZIOKFQXNKL-JSGCOSHPSA-N 1 0 346.391 -1.089 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)cn1 ZINC001090525331 787322291 /nfs/dbraw/zinc/32/22/91/787322291.db2.gz KORMZIOKFQXNKL-OCCSQVGLSA-N 1 0 346.391 -1.089 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@H](O)C2)cn1 ZINC001090525332 787321837 /nfs/dbraw/zinc/32/18/37/787321837.db2.gz KORMZIOKFQXNKL-TZMCWYRMSA-N 1 0 346.391 -1.089 20 0 EAADRO COC(=O)c1nccc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001090525349 787323088 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ZINC001090530141 787338514 /nfs/dbraw/zinc/33/85/14/787338514.db2.gz AUZZLQKNYWDYGH-GXFFZTMASA-N 1 0 332.364 -1.495 20 0 EAADRO Cn1nnc2cc(C[N@@H+]3CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C3)ccc21 ZINC001090530142 787337278 /nfs/dbraw/zinc/33/72/78/787337278.db2.gz AUZZLQKNYWDYGH-MFKMUULPSA-N 1 0 332.364 -1.495 20 0 EAADRO Cn1nnc2cc(C[N@@H+]3CC[C@@H](NC(=O)C(N)=O)[C@H](O)C3)ccc21 ZINC001090530143 787338317 /nfs/dbraw/zinc/33/83/17/787338317.db2.gz AUZZLQKNYWDYGH-ZWNOBZJWSA-N 1 0 332.364 -1.495 20 0 EAADRO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cc1 ZINC001090531842 787337203 /nfs/dbraw/zinc/33/72/03/787337203.db2.gz OMHAWUBMRXNWEM-CHWSQXEVSA-N 1 0 334.376 -1.417 20 0 EAADRO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001090531844 787338140 /nfs/dbraw/zinc/33/81/40/787338140.db2.gz OMHAWUBMRXNWEM-OLZOCXBDSA-N 1 0 334.376 -1.417 20 0 EAADRO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cc1 ZINC001090531846 787338405 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CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001090538092 787343989 /nfs/dbraw/zinc/34/39/89/787343989.db2.gz PMJRBJHFYQDEJO-KGLIPLIRSA-N 1 0 348.403 -1.075 20 0 EAADRO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cc1 ZINC001090538093 787343659 /nfs/dbraw/zinc/34/36/59/787343659.db2.gz PMJRBJHFYQDEJO-UONOGXRCSA-N 1 0 348.403 -1.075 20 0 EAADRO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cc1 ZINC001090538094 787343010 /nfs/dbraw/zinc/34/30/10/787343010.db2.gz PMJRBJHFYQDEJO-ZIAGYGMSSA-N 1 0 348.403 -1.075 20 0 EAADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1=O ZINC001090538373 787343783 /nfs/dbraw/zinc/34/37/83/787343783.db2.gz HMHRKMMSUMNMJT-BDAKNGLRSA-N 1 0 341.368 -2.647 20 0 EAADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)C1=O ZINC001090538378 787343187 /nfs/dbraw/zinc/34/31/87/787343187.db2.gz HMHRKMMSUMNMJT-DTWKUNHWSA-N 1 0 341.368 -2.647 20 0 EAADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)C1=O ZINC001090538379 787343428 /nfs/dbraw/zinc/34/34/28/787343428.db2.gz HMHRKMMSUMNMJT-IUCAKERBSA-N 1 0 341.368 -2.647 20 0 EAADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)C1=O ZINC001090538380 787343969 /nfs/dbraw/zinc/34/39/69/787343969.db2.gz HMHRKMMSUMNMJT-RKDXNWHRSA-N 1 0 341.368 -2.647 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090539785 787344821 /nfs/dbraw/zinc/34/48/21/787344821.db2.gz MATDNILZPHUQEP-CHWSQXEVSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090539786 787345762 /nfs/dbraw/zinc/34/57/62/787345762.db2.gz MATDNILZPHUQEP-OLZOCXBDSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090539787 787345661 /nfs/dbraw/zinc/34/56/61/787345661.db2.gz MATDNILZPHUQEP-QWHCGFSZSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090539788 787344887 /nfs/dbraw/zinc/34/48/87/787344887.db2.gz MATDNILZPHUQEP-STQMWFEESA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](O)C2)n1 ZINC001090540611 787345145 /nfs/dbraw/zinc/34/51/45/787345145.db2.gz QFKZSBIQWHCMEH-CHWSQXEVSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001090540613 787345471 /nfs/dbraw/zinc/34/54/71/787345471.db2.gz QFKZSBIQWHCMEH-OLZOCXBDSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](O)C2)n1 ZINC001090540615 787344933 /nfs/dbraw/zinc/34/49/33/787344933.db2.gz QFKZSBIQWHCMEH-QWHCGFSZSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001090540617 787344510 /nfs/dbraw/zinc/34/45/10/787344510.db2.gz QFKZSBIQWHCMEH-STQMWFEESA-N 1 0 337.428 -1.397 20 0 EAADRO CN(C)C(=O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540745 787344537 /nfs/dbraw/zinc/34/45/37/787344537.db2.gz QSBWFFSPDFAVDJ-KBPBESRZSA-N 1 0 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787416625 /nfs/dbraw/zinc/41/66/25/787416625.db2.gz AHYNLXRCGLXEIU-NEPJUHHUSA-N 1 0 327.385 -1.912 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 ZINC001090766768 787415644 /nfs/dbraw/zinc/41/56/44/787415644.db2.gz AHYNLXRCGLXEIU-NWDGAFQWSA-N 1 0 327.385 -1.912 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001090766770 787416336 /nfs/dbraw/zinc/41/63/36/787416336.db2.gz AHYNLXRCGLXEIU-RYUDHWBXSA-N 1 0 327.385 -1.912 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 ZINC001090766773 787415170 /nfs/dbraw/zinc/41/51/70/787415170.db2.gz AHYNLXRCGLXEIU-VXGBXAGGSA-N 1 0 327.385 -1.912 20 0 EAADRO CNC(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090767704 787416039 /nfs/dbraw/zinc/41/60/39/787416039.db2.gz LFEWCWSCWNDZMF-BXUZGUMPSA-N 1 0 336.392 -1.011 20 0 EAADRO CNC(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090767705 787416268 /nfs/dbraw/zinc/41/62/68/787416268.db2.gz LFEWCWSCWNDZMF-FZMZJTMJSA-N 1 0 336.392 -1.011 20 0 EAADRO CNC(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090767707 787416227 /nfs/dbraw/zinc/41/62/27/787416227.db2.gz LFEWCWSCWNDZMF-RISCZKNCSA-N 1 0 336.392 -1.011 20 0 EAADRO CNC(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090767709 787416449 /nfs/dbraw/zinc/41/64/49/787416449.db2.gz LFEWCWSCWNDZMF-SMDDNHRTSA-N 1 0 336.392 -1.011 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)c(=O)n1C ZINC001090770923 787418405 /nfs/dbraw/zinc/41/84/05/787418405.db2.gz MEWHEMXFHDPFAH-NEPJUHHUSA-N 1 0 329.376 -1.199 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)c(=O)n1C ZINC001090770924 787417564 /nfs/dbraw/zinc/41/75/64/787417564.db2.gz MEWHEMXFHDPFAH-NWDGAFQWSA-N 1 0 329.376 -1.199 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)c(=O)n1C ZINC001090770925 787418051 /nfs/dbraw/zinc/41/80/51/787418051.db2.gz MEWHEMXFHDPFAH-RYUDHWBXSA-N 1 0 329.376 -1.199 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2O)c(=O)n1C ZINC001090770926 787417756 /nfs/dbraw/zinc/41/77/56/787417756.db2.gz MEWHEMXFHDPFAH-VXGBXAGGSA-N 1 0 329.376 -1.199 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)c(=O)n1C ZINC001090771567 787417768 /nfs/dbraw/zinc/41/77/68/787417768.db2.gz VGYGPMGSDRUDMX-NEPJUHHUSA-N 1 0 327.385 -2.176 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)c(=O)n1C ZINC001090771568 787417025 /nfs/dbraw/zinc/41/70/25/787417025.db2.gz VGYGPMGSDRUDMX-NWDGAFQWSA-N 1 0 327.385 -2.176 20 0 EAADRO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)c(=O)n1C ZINC001090771569 787417176 /nfs/dbraw/zinc/41/71/76/787417176.db2.gz VGYGPMGSDRUDMX-RYUDHWBXSA-N 1 0 327.385 -2.176 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)c(=O)n1C ZINC001090771570 787417096 /nfs/dbraw/zinc/41/70/96/787417096.db2.gz VGYGPMGSDRUDMX-VXGBXAGGSA-N 1 0 327.385 -2.176 20 0 EAADRO Cc1cc(C)n2nc(C(=O)N[C@@H]3CC[N@H+](CCO)C[C@@H]3O)nc2n1 ZINC001090773429 787417848 /nfs/dbraw/zinc/41/78/48/787417848.db2.gz FPLHWZDCIMGFEV-NEPJUHHUSA-N 1 0 334.380 -1.102 20 0 EAADRO Cc1cc(C)n2nc(C(=O)N[C@H]3CC[N@H+](CCO)C[C@H]3O)nc2n1 ZINC001090773430 787417803 /nfs/dbraw/zinc/41/78/03/787417803.db2.gz FPLHWZDCIMGFEV-NWDGAFQWSA-N 1 0 334.380 -1.102 20 0 EAADRO Cc1cc(C)n2nc(C(=O)N[C@H]3CC[N@H+](CCO)C[C@@H]3O)nc2n1 ZINC001090773431 787418353 /nfs/dbraw/zinc/41/83/53/787418353.db2.gz FPLHWZDCIMGFEV-RYUDHWBXSA-N 1 0 334.380 -1.102 20 0 EAADRO Cc1cc(C)n2nc(C(=O)N[C@@H]3CC[N@H+](CCO)C[C@H]3O)nc2n1 ZINC001090773432 787417862 /nfs/dbraw/zinc/41/78/62/787417862.db2.gz FPLHWZDCIMGFEV-VXGBXAGGSA-N 1 0 334.380 -1.102 20 0 EAADRO Cc1ccnc2nc(C(=O)N[C@@H]3CC[N@H+](CCCO)C[C@@H]3O)nn21 ZINC001090775746 787418494 /nfs/dbraw/zinc/41/84/94/787418494.db2.gz UHSLWGHVHVFQFE-NEPJUHHUSA-N 1 0 334.380 -1.020 20 0 EAADRO Cc1ccnc2nc(C(=O)N[C@H]3CC[N@H+](CCCO)C[C@H]3O)nn21 ZINC001090775748 787418182 /nfs/dbraw/zinc/41/81/82/787418182.db2.gz UHSLWGHVHVFQFE-NWDGAFQWSA-N 1 0 334.380 -1.020 20 0 EAADRO Cc1ccnc2nc(C(=O)N[C@H]3CC[N@H+](CCCO)C[C@@H]3O)nn21 ZINC001090775750 787417436 /nfs/dbraw/zinc/41/74/36/787417436.db2.gz UHSLWGHVHVFQFE-RYUDHWBXSA-N 1 0 334.380 -1.020 20 0 EAADRO Cc1ccnc2nc(C(=O)N[C@@H]3CC[N@H+](CCCO)C[C@H]3O)nn21 ZINC001090775753 787418100 /nfs/dbraw/zinc/41/81/00/787418100.db2.gz UHSLWGHVHVFQFE-VXGBXAGGSA-N 1 0 334.380 -1.020 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001090776985 787417506 /nfs/dbraw/zinc/41/75/06/787417506.db2.gz LKVYFQLMDQZNER-CHWSQXEVSA-N 1 0 349.391 -1.023 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001090776986 787417326 /nfs/dbraw/zinc/41/73/26/787417326.db2.gz LKVYFQLMDQZNER-OLZOCXBDSA-N 1 0 349.391 -1.023 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001090776987 787418456 /nfs/dbraw/zinc/41/84/56/787418456.db2.gz LKVYFQLMDQZNER-QWHCGFSZSA-N 1 0 349.391 -1.023 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001090776988 787417722 /nfs/dbraw/zinc/41/77/22/787417722.db2.gz LKVYFQLMDQZNER-STQMWFEESA-N 1 0 349.391 -1.023 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)C1=O ZINC001090782213 787418065 /nfs/dbraw/zinc/41/80/65/787418065.db2.gz AFSULDLPHCYQFE-NXEZZACHSA-N 1 0 328.369 -2.140 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)C1=O ZINC001090782214 787416960 /nfs/dbraw/zinc/41/69/60/787416960.db2.gz AFSULDLPHCYQFE-UWVGGRQHSA-N 1 0 328.369 -2.140 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)C1=O ZINC001090782215 787417675 /nfs/dbraw/zinc/41/76/75/787417675.db2.gz AFSULDLPHCYQFE-VHSXEESVSA-N 1 0 328.369 -2.140 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)C1=O ZINC001090782216 787417918 /nfs/dbraw/zinc/41/79/18/787417918.db2.gz AFSULDLPHCYQFE-ZJUUUORDSA-N 1 0 328.369 -2.140 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001090782221 787417482 /nfs/dbraw/zinc/41/74/82/787417482.db2.gz AHOCGWMVSFLICR-KBPBESRZSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001090782222 787418431 /nfs/dbraw/zinc/41/84/31/787418431.db2.gz AHOCGWMVSFLICR-KGLIPLIRSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001090782223 787418226 /nfs/dbraw/zinc/41/82/26/787418226.db2.gz AHOCGWMVSFLICR-UONOGXRCSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001090782224 787418039 /nfs/dbraw/zinc/41/80/39/787418039.db2.gz AHOCGWMVSFLICR-ZIAGYGMSSA-N 1 0 332.364 -1.180 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)C1=O ZINC001090782341 787419539 /nfs/dbraw/zinc/41/95/39/787419539.db2.gz CRFGDCNFVWXFGB-GHMZBOCLSA-N 1 0 342.396 -1.749 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)C1=O ZINC001090782342 787419820 /nfs/dbraw/zinc/41/98/20/787419820.db2.gz CRFGDCNFVWXFGB-MNOVXSKESA-N 1 0 342.396 -1.749 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)C1=O ZINC001090782343 787419180 /nfs/dbraw/zinc/41/91/80/787419180.db2.gz CRFGDCNFVWXFGB-QWRGUYRKSA-N 1 0 342.396 -1.749 20 0 EAADRO CC1(C)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)C1=O ZINC001090782344 787419328 /nfs/dbraw/zinc/41/93/28/787419328.db2.gz CRFGDCNFVWXFGB-WDEREUQCSA-N 1 0 342.396 -1.749 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](O)C1 ZINC001090783466 787419659 /nfs/dbraw/zinc/41/96/59/787419659.db2.gz MDSBKCQEAFUBEY-GHMZBOCLSA-N 1 0 342.396 -1.485 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001090783467 787419872 /nfs/dbraw/zinc/41/98/72/787419872.db2.gz MDSBKCQEAFUBEY-MNOVXSKESA-N 1 0 342.396 -1.485 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001090783468 787419561 /nfs/dbraw/zinc/41/95/61/787419561.db2.gz MDSBKCQEAFUBEY-QWRGUYRKSA-N 1 0 342.396 -1.485 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](O)C1 ZINC001090783470 787418953 /nfs/dbraw/zinc/41/89/53/787418953.db2.gz MDSBKCQEAFUBEY-WDEREUQCSA-N 1 0 342.396 -1.485 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090783629 787419450 /nfs/dbraw/zinc/41/94/50/787419450.db2.gz BAEWEAAOBTUNQT-NEPJUHHUSA-N 1 0 337.384 -2.145 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090783630 787420166 /nfs/dbraw/zinc/42/01/66/787420166.db2.gz BAEWEAAOBTUNQT-NWDGAFQWSA-N 1 0 337.384 -2.145 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090783631 787420183 /nfs/dbraw/zinc/42/01/83/787420183.db2.gz BAEWEAAOBTUNQT-RYUDHWBXSA-N 1 0 337.384 -2.145 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090783632 787419960 /nfs/dbraw/zinc/41/99/60/787419960.db2.gz BAEWEAAOBTUNQT-VXGBXAGGSA-N 1 0 337.384 -2.145 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cc1=O ZINC001090784079 787419361 /nfs/dbraw/zinc/41/93/61/787419361.db2.gz QNWKKINFLDJWSR-KBPBESRZSA-N 1 0 346.391 -1.272 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cc1=O ZINC001090784080 787420041 /nfs/dbraw/zinc/42/00/41/787420041.db2.gz QNWKKINFLDJWSR-KGLIPLIRSA-N 1 0 346.391 -1.272 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@H](O)C2)cc1=O ZINC001090784081 787419489 /nfs/dbraw/zinc/41/94/89/787419489.db2.gz QNWKKINFLDJWSR-UONOGXRCSA-N 1 0 346.391 -1.272 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@H](O)C2)cc1=O ZINC001090784082 787419503 /nfs/dbraw/zinc/41/95/03/787419503.db2.gz QNWKKINFLDJWSR-ZIAGYGMSSA-N 1 0 346.391 -1.272 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@@H](O)C2)n1 ZINC001090785643 787421301 /nfs/dbraw/zinc/42/13/01/787421301.db2.gz BTZCIINHBANBCJ-KBPBESRZSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)n1 ZINC001090785644 787421342 /nfs/dbraw/zinc/42/13/42/787421342.db2.gz BTZCIINHBANBCJ-KGLIPLIRSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@H](O)C2)n1 ZINC001090785645 787421284 /nfs/dbraw/zinc/42/12/84/787421284.db2.gz BTZCIINHBANBCJ-UONOGXRCSA-N 1 0 348.411 -1.262 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@H](O)C2)n1 ZINC001090785646 787421115 /nfs/dbraw/zinc/42/11/15/787421115.db2.gz BTZCIINHBANBCJ-ZIAGYGMSSA-N 1 0 348.411 -1.262 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786044 787421008 /nfs/dbraw/zinc/42/10/08/787421008.db2.gz DIGVBMXXDKENBB-KBPBESRZSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786045 787421350 /nfs/dbraw/zinc/42/13/50/787421350.db2.gz DIGVBMXXDKENBB-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786047 787421181 /nfs/dbraw/zinc/42/11/81/787421181.db2.gz DIGVBMXXDKENBB-UONOGXRCSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786049 787421294 /nfs/dbraw/zinc/42/12/94/787421294.db2.gz DIGVBMXXDKENBB-ZIAGYGMSSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cn1 ZINC001090786590 787421481 /nfs/dbraw/zinc/42/14/81/787421481.db2.gz HPFODVJNUOJJQB-KBPBESRZSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cn1 ZINC001090786591 787421260 /nfs/dbraw/zinc/42/12/60/787421260.db2.gz HPFODVJNUOJJQB-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@H](O)C2)cn1 ZINC001090786593 787421421 /nfs/dbraw/zinc/42/14/21/787421421.db2.gz HPFODVJNUOJJQB-UONOGXRCSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@H](O)C2)cn1 ZINC001090786595 787421579 /nfs/dbraw/zinc/42/15/79/787421579.db2.gz HPFODVJNUOJJQB-ZIAGYGMSSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1nc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)ccc1=O ZINC001090788906 787420779 /nfs/dbraw/zinc/42/07/79/787420779.db2.gz CCVZBNWOVBQAEN-AAEUAGOBSA-N 1 0 347.379 -1.763 20 0 EAADRO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)ccc1=O ZINC001090788907 787421015 /nfs/dbraw/zinc/42/10/15/787421015.db2.gz CCVZBNWOVBQAEN-DGCLKSJQSA-N 1 0 347.379 -1.763 20 0 EAADRO Cn1nc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)ccc1=O ZINC001090788908 787421216 /nfs/dbraw/zinc/42/12/16/787421216.db2.gz CCVZBNWOVBQAEN-WCQYABFASA-N 1 0 347.379 -1.763 20 0 EAADRO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)ccc1=O ZINC001090788909 787421702 /nfs/dbraw/zinc/42/17/02/787421702.db2.gz CCVZBNWOVBQAEN-YPMHNXCESA-N 1 0 347.379 -1.763 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090788954 787421231 /nfs/dbraw/zinc/42/12/31/787421231.db2.gz CROZDFVOBSMZIG-CHWSQXEVSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090788955 787421644 /nfs/dbraw/zinc/42/16/44/787421644.db2.gz CROZDFVOBSMZIG-OLZOCXBDSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090788956 787420658 /nfs/dbraw/zinc/42/06/58/787420658.db2.gz CROZDFVOBSMZIG-QWHCGFSZSA-N 1 0 336.396 -1.548 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090788957 787421410 /nfs/dbraw/zinc/42/14/10/787421410.db2.gz CROZDFVOBSMZIG-STQMWFEESA-N 1 0 336.396 -1.548 20 0 EAADRO Cn1nc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)ccc1=O ZINC001090790718 787422546 /nfs/dbraw/zinc/42/25/46/787422546.db2.gz OCNHAOZJFQKHIS-GXTWGEPZSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1nc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)ccc1=O ZINC001090790719 787423563 /nfs/dbraw/zinc/42/35/63/787423563.db2.gz OCNHAOZJFQKHIS-JSGCOSHPSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)ccc1=O ZINC001090790721 787422821 /nfs/dbraw/zinc/42/28/21/787422821.db2.gz OCNHAOZJFQKHIS-OCCSQVGLSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)ccc1=O ZINC001090790723 787422589 /nfs/dbraw/zinc/42/25/89/787422589.db2.gz OCNHAOZJFQKHIS-TZMCWYRMSA-N 1 0 346.391 -1.158 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090792199 787422407 /nfs/dbraw/zinc/42/24/07/787422407.db2.gz DNIBXFJSXUQTTH-GHMZBOCLSA-N 1 0 328.369 -1.922 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090792202 787423523 /nfs/dbraw/zinc/42/35/23/787423523.db2.gz DNIBXFJSXUQTTH-MNOVXSKESA-N 1 0 328.369 -1.922 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090792205 787423192 /nfs/dbraw/zinc/42/31/92/787423192.db2.gz DNIBXFJSXUQTTH-QWRGUYRKSA-N 1 0 328.369 -1.922 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090792208 787423606 /nfs/dbraw/zinc/42/36/06/787423606.db2.gz DNIBXFJSXUQTTH-WDEREUQCSA-N 1 0 328.369 -1.922 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 ZINC001090793151 787423576 /nfs/dbraw/zinc/42/35/76/787423576.db2.gz CEHVOCWUPQKVPO-CHWSQXEVSA-N 1 0 328.413 -1.025 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 ZINC001090793152 787423236 /nfs/dbraw/zinc/42/32/36/787423236.db2.gz CEHVOCWUPQKVPO-OLZOCXBDSA-N 1 0 328.413 -1.025 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 ZINC001090793153 787423077 /nfs/dbraw/zinc/42/30/77/787423077.db2.gz CEHVOCWUPQKVPO-QWHCGFSZSA-N 1 0 328.413 -1.025 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 ZINC001090793154 787422375 /nfs/dbraw/zinc/42/23/75/787422375.db2.gz CEHVOCWUPQKVPO-STQMWFEESA-N 1 0 328.413 -1.025 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001090793969 787424648 /nfs/dbraw/zinc/42/46/48/787424648.db2.gz JEXWFSOLWHGKAS-CHWSQXEVSA-N 1 0 349.391 -1.417 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001090793970 787424484 /nfs/dbraw/zinc/42/44/84/787424484.db2.gz JEXWFSOLWHGKAS-OLZOCXBDSA-N 1 0 349.391 -1.417 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001090793971 787424829 /nfs/dbraw/zinc/42/48/29/787424829.db2.gz JEXWFSOLWHGKAS-QWHCGFSZSA-N 1 0 349.391 -1.417 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001090793972 787424362 /nfs/dbraw/zinc/42/43/62/787424362.db2.gz JEXWFSOLWHGKAS-STQMWFEESA-N 1 0 349.391 -1.417 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2O)C1=O ZINC001090794333 787424835 /nfs/dbraw/zinc/42/48/35/787424835.db2.gz OUKZBRIUDBWMFR-GHMZBOCLSA-N 1 0 330.360 -1.209 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)C1=O ZINC001090794334 787424568 /nfs/dbraw/zinc/42/45/68/787424568.db2.gz OUKZBRIUDBWMFR-MNOVXSKESA-N 1 0 330.360 -1.209 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)C1=O ZINC001090794335 787424160 /nfs/dbraw/zinc/42/41/60/787424160.db2.gz OUKZBRIUDBWMFR-QWRGUYRKSA-N 1 0 330.360 -1.209 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)C1=O ZINC001090794336 787424633 /nfs/dbraw/zinc/42/46/33/787424633.db2.gz OUKZBRIUDBWMFR-WDEREUQCSA-N 1 0 330.360 -1.209 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)C1=O ZINC001090795321 787426317 /nfs/dbraw/zinc/42/63/17/787426317.db2.gz VWWPQASJRXLFKM-GHMZBOCLSA-N 1 0 328.369 -2.186 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)C1=O ZINC001090795372 787427041 /nfs/dbraw/zinc/42/70/41/787427041.db2.gz VWWPQASJRXLFKM-MNOVXSKESA-N 1 0 328.369 -2.186 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)C1=O ZINC001090795373 787426473 /nfs/dbraw/zinc/42/64/73/787426473.db2.gz VWWPQASJRXLFKM-QWRGUYRKSA-N 1 0 328.369 -2.186 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)C1=O ZINC001090795374 787426170 /nfs/dbraw/zinc/42/61/70/787426170.db2.gz VWWPQASJRXLFKM-WDEREUQCSA-N 1 0 328.369 -2.186 20 0 EAADRO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001090797322 787426074 /nfs/dbraw/zinc/42/60/74/787426074.db2.gz XFHFNQXEHGKNTJ-CHWSQXEVSA-N 1 0 328.413 -1.289 20 0 EAADRO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001090797323 787426138 /nfs/dbraw/zinc/42/61/38/787426138.db2.gz XFHFNQXEHGKNTJ-OLZOCXBDSA-N 1 0 328.413 -1.289 20 0 EAADRO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001090797324 787426979 /nfs/dbraw/zinc/42/69/79/787426979.db2.gz XFHFNQXEHGKNTJ-QWHCGFSZSA-N 1 0 328.413 -1.289 20 0 EAADRO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001090797325 787426950 /nfs/dbraw/zinc/42/69/50/787426950.db2.gz XFHFNQXEHGKNTJ-STQMWFEESA-N 1 0 328.413 -1.289 20 0 EAADRO O=C(Cn1ccccc1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090798980 787427056 /nfs/dbraw/zinc/42/70/56/787427056.db2.gz RAAXBLBOPXOAMQ-KBPBESRZSA-N 1 0 346.391 -1.309 20 0 EAADRO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090798981 787426590 /nfs/dbraw/zinc/42/65/90/787426590.db2.gz RAAXBLBOPXOAMQ-KGLIPLIRSA-N 1 0 346.391 -1.309 20 0 EAADRO O=C(Cn1ccccc1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090798982 787426097 /nfs/dbraw/zinc/42/60/97/787426097.db2.gz RAAXBLBOPXOAMQ-UONOGXRCSA-N 1 0 346.391 -1.309 20 0 EAADRO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090798983 787425870 /nfs/dbraw/zinc/42/58/70/787425870.db2.gz RAAXBLBOPXOAMQ-ZIAGYGMSSA-N 1 0 346.391 -1.309 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1cccc(-n2cnnn2)c1 ZINC001090800861 787426242 /nfs/dbraw/zinc/42/62/42/787426242.db2.gz AVZGSPLQXQEQOZ-KBPBESRZSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)c1cccc(-n2cnnn2)c1 ZINC001090800862 787427015 /nfs/dbraw/zinc/42/70/15/787427015.db2.gz AVZGSPLQXQEQOZ-KGLIPLIRSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)c1cccc(-n2cnnn2)c1 ZINC001090800863 787425983 /nfs/dbraw/zinc/42/59/83/787425983.db2.gz AVZGSPLQXQEQOZ-UONOGXRCSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)c1cccc(-n2cnnn2)c1 ZINC001090800864 787426565 /nfs/dbraw/zinc/42/65/65/787426565.db2.gz AVZGSPLQXQEQOZ-ZIAGYGMSSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)c1ccccc1-n1cnnn1 ZINC001090801611 787427694 /nfs/dbraw/zinc/42/76/94/787427694.db2.gz GQXKMMWWXDQCSB-GXTWGEPZSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1ccccc1-n1cnnn1 ZINC001090801614 787428321 /nfs/dbraw/zinc/42/83/21/787428321.db2.gz GQXKMMWWXDQCSB-JSGCOSHPSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)c1ccccc1-n1cnnn1 ZINC001090801615 787427911 /nfs/dbraw/zinc/42/79/11/787427911.db2.gz GQXKMMWWXDQCSB-OCCSQVGLSA-N 1 0 332.364 -1.180 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)c1ccccc1-n1cnnn1 ZINC001090801616 787428209 /nfs/dbraw/zinc/42/82/09/787428209.db2.gz GQXKMMWWXDQCSB-TZMCWYRMSA-N 1 0 332.364 -1.180 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC001090803662 787428264 /nfs/dbraw/zinc/42/82/64/787428264.db2.gz BYZUXPLOWYLDLT-GHMZBOCLSA-N 1 0 326.353 -1.703 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090803664 787427981 /nfs/dbraw/zinc/42/79/81/787427981.db2.gz BYZUXPLOWYLDLT-MNOVXSKESA-N 1 0 326.353 -1.703 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090803667 787428058 /nfs/dbraw/zinc/42/80/58/787428058.db2.gz BYZUXPLOWYLDLT-QWRGUYRKSA-N 1 0 326.353 -1.703 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC001090803670 787428347 /nfs/dbraw/zinc/42/83/47/787428347.db2.gz BYZUXPLOWYLDLT-WDEREUQCSA-N 1 0 326.353 -1.703 20 0 EAADRO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](O)C1 ZINC001090804081 787428036 /nfs/dbraw/zinc/42/80/36/787428036.db2.gz FJLMPIOLHRTRIA-CHWSQXEVSA-N 1 0 333.454 -1.323 20 0 EAADRO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001090804082 787427762 /nfs/dbraw/zinc/42/77/62/787427762.db2.gz FJLMPIOLHRTRIA-OLZOCXBDSA-N 1 0 333.454 -1.323 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](O)C1 ZINC001090804083 787428410 /nfs/dbraw/zinc/42/84/10/787428410.db2.gz FJLMPIOLHRTRIA-QWHCGFSZSA-N 1 0 333.454 -1.323 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001090804084 787428139 /nfs/dbraw/zinc/42/81/39/787428139.db2.gz 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Cc1nccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001090820457 787433033 /nfs/dbraw/zinc/43/30/33/787433033.db2.gz RLNYVPIPOXVGQP-TZMCWYRMSA-N 1 0 348.407 -1.025 20 0 EAADRO O=C(Cc1ccc[nH]1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001090822160 787433076 /nfs/dbraw/zinc/43/30/76/787433076.db2.gz BEDDUUUSLHMWAX-CHWSQXEVSA-N 1 0 349.391 -1.340 20 0 EAADRO O=C(Cc1ccc[nH]1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001090822161 787433236 /nfs/dbraw/zinc/43/32/36/787433236.db2.gz BEDDUUUSLHMWAX-OLZOCXBDSA-N 1 0 349.391 -1.340 20 0 EAADRO O=C(Cc1ccc[nH]1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001090822162 787433597 /nfs/dbraw/zinc/43/35/97/787433597.db2.gz BEDDUUUSLHMWAX-QWHCGFSZSA-N 1 0 349.391 -1.340 20 0 EAADRO O=C(Cc1ccc[nH]1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001090822163 787433157 /nfs/dbraw/zinc/43/31/57/787433157.db2.gz BEDDUUUSLHMWAX-STQMWFEESA-N 1 0 349.391 -1.340 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)nn1 ZINC001090829774 787436601 /nfs/dbraw/zinc/43/66/01/787436601.db2.gz GCYMOLIXFWQLBG-GXSJLCMTSA-N 1 0 328.348 -1.712 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)nn1 ZINC001090829775 787436527 /nfs/dbraw/zinc/43/65/27/787436527.db2.gz GCYMOLIXFWQLBG-KOLCDFICSA-N 1 0 328.348 -1.712 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2O)nn1 ZINC001090829776 787436156 /nfs/dbraw/zinc/43/61/56/787436156.db2.gz GCYMOLIXFWQLBG-MWLCHTKSSA-N 1 0 328.348 -1.712 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)nn1 ZINC001090829777 787437122 /nfs/dbraw/zinc/43/71/22/787437122.db2.gz GCYMOLIXFWQLBG-ONGXEEELSA-N 1 0 328.348 -1.712 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832582 787436831 /nfs/dbraw/zinc/43/68/31/787436831.db2.gz FGGYDQSVQYBNKY-AAEUAGOBSA-N 1 0 338.412 -1.026 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832583 787437319 /nfs/dbraw/zinc/43/73/19/787437319.db2.gz FGGYDQSVQYBNKY-DGCLKSJQSA-N 1 0 338.412 -1.026 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832584 787436774 /nfs/dbraw/zinc/43/67/74/787436774.db2.gz FGGYDQSVQYBNKY-WCQYABFASA-N 1 0 338.412 -1.026 20 0 EAADRO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832585 787436860 /nfs/dbraw/zinc/43/68/60/787436860.db2.gz FGGYDQSVQYBNKY-YPMHNXCESA-N 1 0 338.412 -1.026 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001090832866 787433676 /nfs/dbraw/zinc/43/36/76/787433676.db2.gz JBJWCOOPUWUCDU-AAEUAGOBSA-N 1 0 338.412 -1.060 20 0 EAADRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](O)C1 ZINC001090832872 787433534 /nfs/dbraw/zinc/43/35/34/787433534.db2.gz JBJWCOOPUWUCDU-DGCLKSJQSA-N 1 0 338.412 -1.060 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](O)C1 ZINC001090832874 787432676 /nfs/dbraw/zinc/43/26/76/787432676.db2.gz JBJWCOOPUWUCDU-WCQYABFASA-N 1 0 338.412 -1.060 20 0 EAADRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001090832876 787433065 /nfs/dbraw/zinc/43/30/65/787433065.db2.gz JBJWCOOPUWUCDU-YPMHNXCESA-N 1 0 338.412 -1.060 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832897 787432636 /nfs/dbraw/zinc/43/26/36/787432636.db2.gz JIYVETVICAUJRR-AAEUAGOBSA-N 1 0 336.396 -1.105 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832899 787433688 /nfs/dbraw/zinc/43/36/88/787433688.db2.gz JIYVETVICAUJRR-DGCLKSJQSA-N 1 0 336.396 -1.105 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832900 787432919 /nfs/dbraw/zinc/43/29/19/787432919.db2.gz JIYVETVICAUJRR-WCQYABFASA-N 1 0 336.396 -1.105 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832901 787432931 /nfs/dbraw/zinc/43/29/31/787432931.db2.gz JIYVETVICAUJRR-YPMHNXCESA-N 1 0 336.396 -1.105 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)nn1 ZINC001090833324 787435390 /nfs/dbraw/zinc/43/53/90/787435390.db2.gz LLWKDXDUDNHUDO-CMPLNLGQSA-N 1 0 340.384 -2.476 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)nn1 ZINC001090833329 787435102 /nfs/dbraw/zinc/43/51/02/787435102.db2.gz LLWKDXDUDNHUDO-JQWIXIFHSA-N 1 0 340.384 -2.476 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)nn1 ZINC001090833331 787435005 /nfs/dbraw/zinc/43/50/05/787435005.db2.gz LLWKDXDUDNHUDO-PWSUYJOCSA-N 1 0 340.384 -2.476 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)nn1 ZINC001090833333 787434846 /nfs/dbraw/zinc/43/48/46/787434846.db2.gz LLWKDXDUDNHUDO-ZYHUDNBSSA-N 1 0 340.384 -2.476 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@@H]2O)nn1 ZINC001090833386 787434829 /nfs/dbraw/zinc/43/48/29/787434829.db2.gz LWPSSDCGLKIWCU-AAEUAGOBSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@H]2O)nn1 ZINC001090833387 787435169 /nfs/dbraw/zinc/43/51/69/787435169.db2.gz LWPSSDCGLKIWCU-DGCLKSJQSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@H]2O)nn1 ZINC001090833388 787435355 /nfs/dbraw/zinc/43/53/55/787435355.db2.gz LWPSSDCGLKIWCU-WCQYABFASA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@@H]2O)nn1 ZINC001090833389 787435238 /nfs/dbraw/zinc/43/52/38/787435238.db2.gz LWPSSDCGLKIWCU-YPMHNXCESA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)nn1 ZINC001090834131 787434116 /nfs/dbraw/zinc/43/41/16/787434116.db2.gz RRLFSAPXSPXCEK-GXSJLCMTSA-N 1 0 326.357 -2.689 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)nn1 ZINC001090834132 787434462 /nfs/dbraw/zinc/43/44/62/787434462.db2.gz RRLFSAPXSPXCEK-KOLCDFICSA-N 1 0 326.357 -2.689 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)nn1 ZINC001090834133 787434347 /nfs/dbraw/zinc/43/43/47/787434347.db2.gz RRLFSAPXSPXCEK-MWLCHTKSSA-N 1 0 326.357 -2.689 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)nn1 ZINC001090834134 787434391 /nfs/dbraw/zinc/43/43/91/787434391.db2.gz RRLFSAPXSPXCEK-ONGXEEELSA-N 1 0 326.357 -2.689 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090834393 787435478 /nfs/dbraw/zinc/43/54/78/787435478.db2.gz UTDUCOGYFPMXNH-GXSJLCMTSA-N 1 0 326.357 -2.425 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090834394 787434708 /nfs/dbraw/zinc/43/47/08/787434708.db2.gz UTDUCOGYFPMXNH-KOLCDFICSA-N 1 0 326.357 -2.425 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090834395 787434261 /nfs/dbraw/zinc/43/42/61/787434261.db2.gz UTDUCOGYFPMXNH-MWLCHTKSSA-N 1 0 326.357 -2.425 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090834396 787435316 /nfs/dbraw/zinc/43/53/16/787435316.db2.gz UTDUCOGYFPMXNH-ONGXEEELSA-N 1 0 326.357 -2.425 20 0 EAADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001090834524 787434541 /nfs/dbraw/zinc/43/45/41/787434541.db2.gz WHXCWZRQFPKGSL-AAEUAGOBSA-N 1 0 338.412 -1.059 20 0 EAADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](O)C1 ZINC001090834525 787435184 /nfs/dbraw/zinc/43/51/84/787435184.db2.gz WHXCWZRQFPKGSL-DGCLKSJQSA-N 1 0 338.412 -1.059 20 0 EAADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](O)C1 ZINC001090834526 787434597 /nfs/dbraw/zinc/43/45/97/787434597.db2.gz WHXCWZRQFPKGSL-WCQYABFASA-N 1 0 338.412 -1.059 20 0 EAADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001090834527 787434686 /nfs/dbraw/zinc/43/46/86/787434686.db2.gz WHXCWZRQFPKGSL-YPMHNXCESA-N 1 0 338.412 -1.059 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@@H]2O)nn1 ZINC001090834772 787434213 /nfs/dbraw/zinc/43/42/13/787434213.db2.gz ZZCNMQSTOVYJJF-AAEUAGOBSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)C[C@H]2O)nn1 ZINC001090834773 787434473 /nfs/dbraw/zinc/43/44/73/787434473.db2.gz ZZCNMQSTOVYJJF-DGCLKSJQSA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@H]2O)nn1 ZINC001090834774 787434356 /nfs/dbraw/zinc/43/43/56/787434356.db2.gz ZZCNMQSTOVYJJF-WCQYABFASA-N 1 0 336.396 -1.272 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)C[C@@H]2O)nn1 ZINC001090834775 787435330 /nfs/dbraw/zinc/43/53/30/787435330.db2.gz ZZCNMQSTOVYJJF-YPMHNXCESA-N 1 0 336.396 -1.272 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)n(C)c1=O ZINC001090836430 787436576 /nfs/dbraw/zinc/43/65/76/787436576.db2.gz MZQUAMSTZFPJOI-GXTWGEPZSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)n(C)c1=O ZINC001090836445 787437294 /nfs/dbraw/zinc/43/72/94/787437294.db2.gz MZQUAMSTZFPJOI-JSGCOSHPSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)n(C)c1=O ZINC001090836446 787436727 /nfs/dbraw/zinc/43/67/27/787436727.db2.gz MZQUAMSTZFPJOI-OCCSQVGLSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)n(C)c1=O 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EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001091109116 787458948 /nfs/dbraw/zinc/45/89/48/787458948.db2.gz RYFICGUWBXCIAY-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O ZINC001091109277 787459486 /nfs/dbraw/zinc/45/94/86/787459486.db2.gz VYIHUDRGHBVRMZ-MNOVXSKESA-N 1 0 348.411 -1.234 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O ZINC001091110272 787459067 /nfs/dbraw/zinc/45/90/67/787459067.db2.gz OUBUWSLOJZEKHN-HSOILSAZSA-N 1 0 336.396 -1.381 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)nc1=O ZINC001091110273 787459509 /nfs/dbraw/zinc/45/95/09/787459509.db2.gz OUBUWSLOJZEKHN-YVNMAJEFSA-N 1 0 336.396 -1.381 20 0 EAADRO O=C(C[NH2+]C1CC(CNC(=O)c2cn[nH]n2)C1)N1CCNC(=O)C1 ZINC001091111899 787460553 /nfs/dbraw/zinc/46/05/53/787460553.db2.gz OYMXSSOLAXJCKA-UHFFFAOYSA-N 1 0 335.368 -2.139 20 0 EAADRO O=C(NCC1CC([NH2+]CCN2CCCS2(=O)=O)C1)c1cn[nH]n1 ZINC001091112285 787459876 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EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)c2ccc(S(N)(=O)=O)o2)C1)C(N)=O ZINC001091119240 787461475 /nfs/dbraw/zinc/46/14/75/787461475.db2.gz UKFCNIUZYWZQQH-AFPNSQJFSA-N 1 0 344.393 -1.101 20 0 EAADRO C[C@H]([NH2+]C1CC(CNC(=O)c2ccc(S(N)(=O)=O)o2)C1)C(N)=O ZINC001091119241 787461499 /nfs/dbraw/zinc/46/14/99/787461499.db2.gz UKFCNIUZYWZQQH-UEJVZZJDSA-N 1 0 344.393 -1.101 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)[NH+](C)C ZINC001091122985 787461486 /nfs/dbraw/zinc/46/14/86/787461486.db2.gz ICNGWSZZXHGPLU-MXWKQRLJSA-N 1 0 334.384 -1.475 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)[NH+](C)C ZINC001091122987 787461689 /nfs/dbraw/zinc/46/16/89/787461689.db2.gz ICNGWSZZXHGPLU-VWYCJHECSA-N 1 0 334.384 -1.475 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O)[NH+](C)C ZINC001091123332 787462508 /nfs/dbraw/zinc/46/25/08/787462508.db2.gz PNMFZXIJEYEXCR-MXWKQRLJSA-N 1 0 348.411 -1.236 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O)[NH+](C)C 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CXZBZNXGTYZFDY-MNOVXSKESA-N 1 0 327.360 -1.140 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O ZINC001091124159 787462875 /nfs/dbraw/zinc/46/28/75/787462875.db2.gz GRALRZBQCLWULO-MNOVXSKESA-N 1 0 327.360 -1.140 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O ZINC001091124367 787462718 /nfs/dbraw/zinc/46/27/18/787462718.db2.gz LXTFJBOXWYMBIN-MNOVXSKESA-N 1 0 327.360 -1.140 20 0 EAADRO COc1ccnc(N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001091124495 787463038 /nfs/dbraw/zinc/46/30/38/787463038.db2.gz PBXPKTMPLIRSLX-NEPJUHHUSA-N 1 0 339.396 -1.271 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@@H]1O ZINC001091124566 787462641 /nfs/dbraw/zinc/46/26/41/787462641.db2.gz SUQWRDGECBUQPG-MNOVXSKESA-N 1 0 349.395 -1.403 20 0 EAADRO Cn1cncc1C(=O)NCC1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001091125864 787462590 /nfs/dbraw/zinc/46/25/90/787462590.db2.gz XKJLSEGGVACHIJ-UHFFFAOYSA-N 1 0 348.407 -1.524 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001091126334 787462629 /nfs/dbraw/zinc/46/26/29/787462629.db2.gz NHLURHJKXKJYGE-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001091126550 787463067 /nfs/dbraw/zinc/46/30/67/787463067.db2.gz WZJXYPWVMPPYKQ-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001091129948 787463978 /nfs/dbraw/zinc/46/39/78/787463978.db2.gz IMKXWZYHUBMJMI-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O ZINC001091129963 787464051 /nfs/dbraw/zinc/46/40/51/787464051.db2.gz JCNXIFBFLOHSNQ-MNOVXSKESA-N 1 0 348.411 -1.234 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001091130179 787464041 /nfs/dbraw/zinc/46/40/41/787464041.db2.gz SGRIHEIPBFVESV-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO COCCn1nc(C(=O)NCC2CC([NH2+]CC(N)=O)C2)ccc1=O ZINC001091130660 787463990 /nfs/dbraw/zinc/46/39/90/787463990.db2.gz QLBGQESHQVHCHN-UHFFFAOYSA-N 1 0 337.380 -1.527 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)[NH+](C)C ZINC001091132425 787462519 /nfs/dbraw/zinc/46/25/19/787462519.db2.gz CTQUXTCNEARYRK-SUNKGSAMSA-N 1 0 348.411 -1.229 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)[NH+](C)C ZINC001091132427 787462845 /nfs/dbraw/zinc/46/28/45/787462845.db2.gz CTQUXTCNEARYRK-UHIISALHSA-N 1 0 348.411 -1.229 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001091133129 787462792 /nfs/dbraw/zinc/46/27/92/787462792.db2.gz MQUXSAZFFBTUDG-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001091133636 787465483 /nfs/dbraw/zinc/46/54/83/787465483.db2.gz ZZNMBUVTPFMRQM-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O)[NH+](C)C ZINC001091134002 787465013 /nfs/dbraw/zinc/46/50/13/787465013.db2.gz WIULDIQSFANJBP-GRYCIOLGSA-N 1 0 348.411 -1.229 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O)[NH+](C)C ZINC001091134005 787465629 /nfs/dbraw/zinc/46/56/29/787465629.db2.gz WIULDIQSFANJBP-WOPDTQHZSA-N 1 0 348.411 -1.229 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001091135677 787464121 /nfs/dbraw/zinc/46/41/21/787464121.db2.gz CIQJERLADYWRFN-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001091135705 787463999 /nfs/dbraw/zinc/46/39/99/787463999.db2.gz DLUATXMCNCXQKX-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O ZINC001091135714 787464068 /nfs/dbraw/zinc/46/40/68/787464068.db2.gz DVLHIJDNVWNZCF-MNOVXSKESA-N 1 0 348.411 -1.234 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+][C@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001091151834 787465152 /nfs/dbraw/zinc/46/51/52/787465152.db2.gz UUKSJAHORUPKRD-ILDUYXDCSA-N 1 0 347.375 -1.317 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+][C@@H]3CCC(=O)NC3=O)C2)ncc1=O ZINC001091151835 787465105 /nfs/dbraw/zinc/46/51/05/787465105.db2.gz UUKSJAHORUPKRD-VQXHTEKXSA-N 1 0 347.375 -1.317 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC(CNC(=O)c3cn(C)c(=O)cn3)C2)nc1=O ZINC001091151840 787465389 /nfs/dbraw/zinc/46/53/89/787465389.db2.gz VHZOQBILERIGBF-UHFFFAOYSA-N 1 0 347.379 -1.500 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2O)CCC1 ZINC001091152463 787465207 /nfs/dbraw/zinc/46/52/07/787465207.db2.gz APVUVTLSZICDMJ-MNOVXSKESA-N 1 0 346.395 -1.331 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2O)CCC1 ZINC001091152973 787465111 /nfs/dbraw/zinc/46/51/11/787465111.db2.gz NLPROFFIMQTEEA-MNOVXSKESA-N 1 0 346.395 -1.331 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)ncc1=O ZINC001091154217 787465269 /nfs/dbraw/zinc/46/52/69/787465269.db2.gz QQAZQFDSTXTYLX-UHFFFAOYSA-N 1 0 348.407 -1.097 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O)C1CC1 ZINC001091156626 787465300 /nfs/dbraw/zinc/46/53/00/787465300.db2.gz RBGVUVMBHIHCDC-GRYCIOLGSA-N 1 0 346.395 -1.475 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O)C1CC1 ZINC001091156627 787465355 /nfs/dbraw/zinc/46/53/55/787465355.db2.gz RBGVUVMBHIHCDC-WOPDTQHZSA-N 1 0 346.395 -1.475 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)C1CC1 ZINC001091156847 787465568 /nfs/dbraw/zinc/46/55/68/787465568.db2.gz XXZAGESXFUAHIF-SUNKGSAMSA-N 1 0 346.395 -1.475 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)C1CC1 ZINC001091156848 787465067 /nfs/dbraw/zinc/46/50/67/787465067.db2.gz XXZAGESXFUAHIF-UHIISALHSA-N 1 0 346.395 -1.475 20 0 EAADRO O=C(NCC1CC([NH2+]CC2CC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001091158513 787465513 /nfs/dbraw/zinc/46/55/13/787465513.db2.gz AUVTYRKDWNYWDT-MCIGGMRASA-N 1 0 329.422 -1.206 20 0 EAADRO NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001091159048 787466986 /nfs/dbraw/zinc/46/69/86/787466986.db2.gz UIFWOPFXPVVEGP-HACHORDNSA-N 1 0 332.382 -3.131 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001091160870 787467119 /nfs/dbraw/zinc/46/71/19/787467119.db2.gz RXZQXWYERDBSGJ-MNOVXSKESA-N 1 0 348.411 -1.085 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001091160881 787467012 /nfs/dbraw/zinc/46/70/12/787467012.db2.gz SLUFYHIOVJOLFC-MNOVXSKESA-N 1 0 348.411 -1.085 20 0 EAADRO NC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001091161390 787466708 /nfs/dbraw/zinc/46/67/08/787466708.db2.gz UVKXYOCGEWABRX-UHFFFAOYSA-N 1 0 330.352 -1.359 20 0 EAADRO Cc1cn2nc(C(=O)NCC3CC([NH2+]CC(N)=O)C3)cc2c(=O)[nH]1 ZINC001091162881 787466495 /nfs/dbraw/zinc/46/64/95/787466495.db2.gz VMSLFGMRZMFDLA-UHFFFAOYSA-N 1 0 332.364 -1.086 20 0 EAADRO NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001091163495 787466311 /nfs/dbraw/zinc/46/63/11/787466311.db2.gz BYCVYBVLYAKORY-ILDUYXDCSA-N 1 0 334.367 -1.078 20 0 EAADRO NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001091163496 787466488 /nfs/dbraw/zinc/46/64/88/787466488.db2.gz BYCVYBVLYAKORY-VQXHTEKXSA-N 1 0 334.367 -1.078 20 0 EAADRO O=C(C[NH2+]C1CC(CNC(=O)c2cnco2)C1)N1CCNC(=O)C1 ZINC001091165426 787467905 /nfs/dbraw/zinc/46/79/05/787467905.db2.gz HWTCREVEMPLGPN-UHFFFAOYSA-N 1 0 335.364 -1.269 20 0 EAADRO CO[C@H]1C[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)N(C(C)=O)C1 ZINC001091166664 787466341 /nfs/dbraw/zinc/46/63/41/787466341.db2.gz PHYVDIDJCMVKJU-IFWUJCSASA-N 1 0 326.397 -1.408 20 0 EAADRO Cc1nc(C(=O)NCC2CC([NH2+]CC(N)=O)C2)nn1-c1nc[nH]n1 ZINC001091172098 787467571 /nfs/dbraw/zinc/46/75/71/787467571.db2.gz SOPVSZQFOZANDL-UHFFFAOYSA-N 1 0 333.356 -1.723 20 0 EAADRO Cc1nc(C(=O)NCC2CC([NH2+][C@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001091172153 787468474 /nfs/dbraw/zinc/46/84/74/787468474.db2.gz WEBFRAIWVHFDHO-CUUXFQNZSA-N 1 0 347.383 -1.334 20 0 EAADRO Cc1nc(C(=O)NCC2CC([NH2+][C@@H](C)C(N)=O)C2)nn1-c1nc[nH]n1 ZINC001091172154 787468398 /nfs/dbraw/zinc/46/83/98/787468398.db2.gz WEBFRAIWVHFDHO-WFRXLMHJSA-N 1 0 347.383 -1.334 20 0 EAADRO Cc1n[nH]cc1C(=O)NCC1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001091173067 787468062 /nfs/dbraw/zinc/46/80/62/787468062.db2.gz RWUHRADLSRRXLL-UHFFFAOYSA-N 1 0 348.407 -1.225 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2O)CC1 ZINC001091175573 787469353 /nfs/dbraw/zinc/46/93/53/787469353.db2.gz HFJQTHMFIVBXLM-MNOVXSKESA-N 1 0 346.395 -1.473 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001091175639 787469389 /nfs/dbraw/zinc/46/93/89/787469389.db2.gz KVDGSLPYKHFUHZ-MNOVXSKESA-N 1 0 348.411 -1.234 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001091175776 787469171 /nfs/dbraw/zinc/46/91/71/787469171.db2.gz RNNSODNUUUDUAF-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001091175887 787469269 /nfs/dbraw/zinc/46/92/69/787469269.db2.gz WSAQQJUEDXKHKP-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001091176078 787468191 /nfs/dbraw/zinc/46/81/91/787468191.db2.gz FUPMRBPKZALYSM-UHFFFAOYSA-N 1 0 335.368 -1.237 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001091176486 787468108 /nfs/dbraw/zinc/46/81/08/787468108.db2.gz AHPIJCLHBNEYFW-UHFFFAOYSA-N 1 0 349.395 -1.830 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NCC2CC([NH2+]CC(=O)N3CCC3)C2)c1=O ZINC001091177178 787468035 /nfs/dbraw/zinc/46/80/35/787468035.db2.gz BQUICIOWPOBUKP-UHFFFAOYSA-N 1 0 349.391 -1.184 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2O)CC1 ZINC001091177298 787468234 /nfs/dbraw/zinc/46/82/34/787468234.db2.gz IGDFFFIBELXFQB-MNOVXSKESA-N 1 0 346.395 -1.473 20 0 EAADRO COC(=O)c1cnc(N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)nc1 ZINC001091177423 787467947 /nfs/dbraw/zinc/46/79/47/787467947.db2.gz BAJCOGNZASFJKQ-NEPJUHHUSA-N 1 0 337.380 -1.119 20 0 EAADRO Cn1ncc2c1nc(N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)[nH]c2=O ZINC001091177426 787468406 /nfs/dbraw/zinc/46/84/06/787468406.db2.gz BEYBKWWRZCUTKX-MNOVXSKESA-N 1 0 349.395 -1.314 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001091177617 787468438 /nfs/dbraw/zinc/46/84/38/787468438.db2.gz IREYNUXITZAXJP-AMUVOQDHSA-N 1 0 335.364 -1.528 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001091177618 787467938 /nfs/dbraw/zinc/46/79/38/787467938.db2.gz IREYNUXITZAXJP-NWGYLPEXSA-N 1 0 335.364 -1.528 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NCC2CC([NH2+][C@H]3CCCNC3=O)C2)c1=O ZINC001091177627 787467679 /nfs/dbraw/zinc/46/76/79/787467679.db2.gz JNHADWFZLRDTPD-CBINBANVSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NCC2CC([NH2+][C@@H]3CCCNC3=O)C2)c1=O ZINC001091177628 787467965 /nfs/dbraw/zinc/46/79/65/787467965.db2.gz JNHADWFZLRDTPD-RTYFJBAXSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1ncc2c1ncnc2N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001091178386 787469276 /nfs/dbraw/zinc/46/92/76/787469276.db2.gz NANPIZWLWSYGBB-NEPJUHHUSA-N 1 0 333.396 -1.019 20 0 EAADRO Cc1nc(N(C)C)nc(N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001091178391 787469305 /nfs/dbraw/zinc/46/93/05/787469305.db2.gz NERCZUHCSVUCOD-NEPJUHHUSA-N 1 0 337.428 -1.137 20 0 EAADRO COC(=O)c1nccc(N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001091178422 787469181 /nfs/dbraw/zinc/46/91/81/787469181.db2.gz OHHLUUKKMBAQCO-MNOVXSKESA-N 1 0 337.380 -1.119 20 0 EAADRO Cn1cnc2c1ncnc2N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001091178433 787469518 /nfs/dbraw/zinc/46/95/18/787469518.db2.gz OQPLMCFAAGHEEL-MNOVXSKESA-N 1 0 333.396 -1.019 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NCC2CC([NH2+]CCn3cncn3)C2)c1=O ZINC001091178650 787469368 /nfs/dbraw/zinc/46/93/68/787469368.db2.gz WVQNXLYHVNWTAM-UHFFFAOYSA-N 1 0 347.379 -1.124 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001091178670 787469713 /nfs/dbraw/zinc/46/97/13/787469713.db2.gz UNICVTMRLMBCDK-ZJUUUORDSA-N 1 0 334.384 -1.624 20 0 EAADRO CN1C[C@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)NC1=O ZINC001091181499 787469499 /nfs/dbraw/zinc/46/94/99/787469499.db2.gz KNMVPUVTSPAENG-HTAVTVPLSA-N 1 0 338.412 -1.480 20 0 EAADRO CN1C[C@@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)NC1=O ZINC001091181500 787469629 /nfs/dbraw/zinc/46/96/29/787469629.db2.gz KNMVPUVTSPAENG-MCIGGMRASA-N 1 0 338.412 -1.480 20 0 EAADRO CN1C[C@@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)NC1=O ZINC001091181717 787469672 /nfs/dbraw/zinc/46/96/72/787469672.db2.gz SJYCZTINPMQERL-RTBKNWGFSA-N 1 0 337.384 -1.884 20 0 EAADRO CN1C[C@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)NC1=O ZINC001091181718 787469636 /nfs/dbraw/zinc/46/96/36/787469636.db2.gz SJYCZTINPMQERL-UDNWOFFPSA-N 1 0 337.384 -1.884 20 0 EAADRO O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)[C@H]1CCNC1=O ZINC001091182535 787469710 /nfs/dbraw/zinc/46/97/10/787469710.db2.gz ALXNFDOAMXGWSL-ILDUYXDCSA-N 1 0 337.380 -1.841 20 0 EAADRO O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1CCNC1=O ZINC001091182536 787469461 /nfs/dbraw/zinc/46/94/61/787469461.db2.gz ALXNFDOAMXGWSL-VQXHTEKXSA-N 1 0 337.380 -1.841 20 0 EAADRO O=C(NCC1CC([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1CCNC1=O ZINC001091182885 787469260 /nfs/dbraw/zinc/46/92/60/787469260.db2.gz UBDKIBGLRLLTTP-HTAVTVPLSA-N 1 0 348.407 -1.071 20 0 EAADRO O=C(NCC1CC([NH2+]Cc2nnc3n2CCOC3)C1)[C@H]1CCNC1=O ZINC001091182886 787469578 /nfs/dbraw/zinc/46/95/78/787469578.db2.gz UBDKIBGLRLLTTP-MCIGGMRASA-N 1 0 348.407 -1.071 20 0 EAADRO O=C(C[NH2+]C1CC(CNC(=O)[C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001091182889 787469187 /nfs/dbraw/zinc/46/91/87/787469187.db2.gz ULJCIHSWOZJMPT-BPCQOVAHSA-N 1 0 338.408 -1.534 20 0 EAADRO O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001091182890 787468935 /nfs/dbraw/zinc/46/89/35/787468935.db2.gz ULJCIHSWOZJMPT-WXRRBKDZSA-N 1 0 338.408 -1.534 20 0 EAADRO O=C(NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1CCNC1=O ZINC001091183102 787470268 /nfs/dbraw/zinc/47/02/68/787470268.db2.gz FFWKXEOYGSOTQL-HTAVTVPLSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)[C@H]1CCNC1=O ZINC001091183103 787470340 /nfs/dbraw/zinc/47/03/40/787470340.db2.gz FFWKXEOYGSOTQL-MCIGGMRASA-N 1 0 336.392 -1.244 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC(CNC(=O)c3c[nH]c(=O)n3C)C2)nc1=O ZINC001091183113 787470488 /nfs/dbraw/zinc/47/04/88/787470488.db2.gz FPBKZJXYCMAWJD-UHFFFAOYSA-N 1 0 335.368 -1.154 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001091185676 787470081 /nfs/dbraw/zinc/47/00/81/787470081.db2.gz JCFLETTZWFNPPN-ILDUYXDCSA-N 1 0 336.396 -1.286 20 0 EAADRO Cn1nnc(C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)n1 ZINC001091187502 787470548 /nfs/dbraw/zinc/47/05/48/787470548.db2.gz GOWNVHQMPJLSNY-UHFFFAOYSA-N 1 0 335.368 -1.543 20 0 EAADRO Cn1nnc(C(=O)NCC2CC([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC001091187792 787470302 /nfs/dbraw/zinc/47/03/02/787470302.db2.gz MGQXQMYLZWARGR-KPPDAEKUSA-N 1 0 342.425 -1.257 20 0 EAADRO Cn1nnc(C(=O)NCC2CC([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC001091187793 787470439 /nfs/dbraw/zinc/47/04/39/787470439.db2.gz MGQXQMYLZWARGR-WHXUTIOJSA-N 1 0 342.425 -1.257 20 0 EAADRO Cn1nnc(C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001091188275 787470557 /nfs/dbraw/zinc/47/05/57/787470557.db2.gz VQABGRWZTNYPJS-UHFFFAOYSA-N 1 0 336.356 -2.140 20 0 EAADRO Cn1nnc(C(=O)NCC2CC([NH2+]CC(=O)N3CCOCC3)C2)n1 ZINC001091189203 787471814 /nfs/dbraw/zinc/47/18/14/787471814.db2.gz FNYGLUGOICOMDQ-UHFFFAOYSA-N 1 0 337.384 -1.833 20 0 EAADRO Cn1nnc(C(=O)NCC2CC([NH2+]Cc3nnc4n3CCOC4)C2)n1 ZINC001091189579 787471689 /nfs/dbraw/zinc/47/16/89/787471689.db2.gz QLOAZVDGKIJCQL-UHFFFAOYSA-N 1 0 347.383 -1.370 20 0 EAADRO CN1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1=O ZINC001091191188 787471764 /nfs/dbraw/zinc/47/17/64/787471764.db2.gz LZOHQSYFDLCALQ-ILDUYXDCSA-N 1 0 336.396 -1.429 20 0 EAADRO CN1CC[C@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1=O ZINC001091191189 787471698 /nfs/dbraw/zinc/47/16/98/787471698.db2.gz LZOHQSYFDLCALQ-VQXHTEKXSA-N 1 0 336.396 -1.429 20 0 EAADRO CN1CC[C@@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1=O ZINC001091191702 787471215 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Cn1nncc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001091260498 787474863 /nfs/dbraw/zinc/47/48/63/787474863.db2.gz BRDKKDGYRQMKFA-AMUVOQDHSA-N 1 0 335.368 -1.602 20 0 EAADRO CCn1ncnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001091260516 787474800 /nfs/dbraw/zinc/47/48/00/787474800.db2.gz CNLJETSDCCAZHV-ILDUYXDCSA-N 1 0 349.395 -1.120 20 0 EAADRO O=C(NCC1CC([NH2+]CCn2cncn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001091260518 787474972 /nfs/dbraw/zinc/47/49/72/787474972.db2.gz COUMOUHTRGWQGR-ILDUYXDCSA-N 1 0 335.368 -1.639 20 0 EAADRO CCn1cc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001091260704 787475315 /nfs/dbraw/zinc/47/53/15/787475315.db2.gz HLIWTPIRIFPZHP-CBINBANVSA-N 1 0 349.395 -1.120 20 0 EAADRO O=C(NCC1CC([NH2+]CCn2cccn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001091260751 787474874 /nfs/dbraw/zinc/47/48/74/787474874.db2.gz IQXBCPFJVKCTSU-MCIGGMRASA-N 1 0 334.380 -1.034 20 0 EAADRO CCn1nncc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001091260773 787474977 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CC[C@H]([NH2+]C1CC(CNC(=O)c2nccnc2C(N)=O)C1)C(N)=O ZINC001091356128 787494583 /nfs/dbraw/zinc/49/45/83/787494583.db2.gz LGBIMMMZZLZPHH-RTBKNWGFSA-N 1 0 334.380 -1.063 20 0 EAADRO CC[C@@H]([NH2+]C1CC(CNC(=O)c2nccnc2C(N)=O)C1)C(N)=O ZINC001091356130 787494726 /nfs/dbraw/zinc/49/47/26/787494726.db2.gz LGBIMMMZZLZPHH-UDNWOFFPSA-N 1 0 334.380 -1.063 20 0 EAADRO NC(=O)c1nccnc1C(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001091356132 787494083 /nfs/dbraw/zinc/49/40/83/787494083.db2.gz LJPGKCSVAXHVHS-UHFFFAOYSA-N 1 0 344.379 -1.035 20 0 EAADRO CN1CC[C@H]([NH2+]C2CC(CNC(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001091356797 787494647 /nfs/dbraw/zinc/49/46/47/787494647.db2.gz YJURDUAVBFHIFG-ILDUYXDCSA-N 1 0 346.391 -1.096 20 0 EAADRO CN1CC[C@@H]([NH2+]C2CC(CNC(=O)c3nccnc3C(N)=O)C2)C1=O ZINC001091356800 787494794 /nfs/dbraw/zinc/49/47/94/787494794.db2.gz YJURDUAVBFHIFG-VQXHTEKXSA-N 1 0 346.391 -1.096 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+][C@H]3CCCNC3=O)C2)c(=O)[nH]c1=O ZINC001091360427 787495125 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349.391 -1.185 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+]CC(=O)N3CCC3)C2)c(=O)[nH]c1=O ZINC001091360535 787494261 /nfs/dbraw/zinc/49/42/61/787494261.db2.gz HOXMQDBGGNWGFJ-UHFFFAOYSA-N 1 0 349.391 -1.184 20 0 EAADRO Cn1ncnc1C[NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001091360551 787494800 /nfs/dbraw/zinc/49/48/00/787494800.db2.gz IFBVJZWCXSTIKT-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO CC[C@H]([NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(N)=O ZINC001091360692 787494953 /nfs/dbraw/zinc/49/49/53/787494953.db2.gz OCNDAPQCGUZACS-AMUVOQDHSA-N 1 0 337.380 -1.152 20 0 EAADRO CC[C@@H]([NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(N)=O ZINC001091360693 787495197 /nfs/dbraw/zinc/49/51/97/787495197.db2.gz OCNDAPQCGUZACS-NWGYLPEXSA-N 1 0 337.380 -1.152 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+]CCn3cncn3)C2)c(=O)[nH]c1=O ZINC001091360769 787494378 /nfs/dbraw/zinc/49/43/78/787494378.db2.gz RNMCWCOXMNJKKV-UHFFFAOYSA-N 1 0 347.379 -1.124 20 0 EAADRO Cn1cc(C[NH2+]C2CC(CNC(=O)c3cn(C)c(=O)[nH]c3=O)C2)nn1 ZINC001091360771 787494560 /nfs/dbraw/zinc/49/45/60/787494560.db2.gz RQBBQDUYEATSNE-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1cnnc1C[NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001091360784 787494586 /nfs/dbraw/zinc/49/45/86/787494586.db2.gz SJDJPECIGZAPEU-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1ncc(C[NH2+]C2CC(CNC(=O)c3cn(C)c(=O)[nH]c3=O)C2)n1 ZINC001091360924 787494552 /nfs/dbraw/zinc/49/45/52/787494552.db2.gz YYRBJVRVLXDFAW-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1nncc1C[NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001091360945 787495179 /nfs/dbraw/zinc/49/51/79/787495179.db2.gz ZLQSWMVQQHCBKP-UHFFFAOYSA-N 1 0 347.379 -1.087 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC(CNC(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC001091366280 787493281 /nfs/dbraw/zinc/49/32/81/787493281.db2.gz NNEPTWPYJFSKCW-UHFFFAOYSA-N 1 0 347.379 -1.166 20 0 EAADRO Cn1ccc(C(=O)NCC2CC([NH2+]CC(=O)N3CCNC(=O)C3)C2)n1 ZINC001091366670 787492967 /nfs/dbraw/zinc/49/29/67/787492967.db2.gz WQZJITGATIRYLF-UHFFFAOYSA-N 1 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ZINC001091369829 787494811 /nfs/dbraw/zinc/49/48/11/787494811.db2.gz GJQNJDXNKMUNAH-RTYFJBAXSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001091369923 787494216 /nfs/dbraw/zinc/49/42/16/787494216.db2.gz JKFMZBZCLLSFDA-ILDUYXDCSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ncnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001091369924 787494416 /nfs/dbraw/zinc/49/44/16/787494416.db2.gz JKFMZBZCLLSFDA-VQXHTEKXSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cc(C[NH2+]C2CC(CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001091369969 787495079 /nfs/dbraw/zinc/49/50/79/787495079.db2.gz LRHFKWKWHNYOIP-CBINBANVSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cc(C[NH2+]C2CC(CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001091369970 787495164 /nfs/dbraw/zinc/49/51/64/787495164.db2.gz LRHFKWKWHNYOIP-RTYFJBAXSA-N 1 0 342.425 -1.509 20 0 EAADRO O=C(NCC1CC([NH2+]CCn2cncn2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001091370039 787494848 /nfs/dbraw/zinc/49/48/48/787494848.db2.gz PAWBJTJGXZDBNK-HTAVTVPLSA-N 1 0 342.425 -1.546 20 0 EAADRO O=C(NCC1CC([NH2+]CCn2cncn2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001091370040 787494590 /nfs/dbraw/zinc/49/45/90/787494590.db2.gz PAWBJTJGXZDBNK-MCIGGMRASA-N 1 0 342.425 -1.546 20 0 EAADRO Cn1cnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001091370329 787494673 /nfs/dbraw/zinc/49/46/73/787494673.db2.gz VLXZWZXPJCXVGL-ILDUYXDCSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1cnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001091370333 787494509 /nfs/dbraw/zinc/49/45/09/787494509.db2.gz VLXZWZXPJCXVGL-VQXHTEKXSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1nncc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001091370495 787494572 /nfs/dbraw/zinc/49/45/72/787494572.db2.gz YLJQYSJOWXELFJ-CBINBANVSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1nncc1C[NH2+]C1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001091370498 787494543 /nfs/dbraw/zinc/49/45/43/787494543.db2.gz YLJQYSJOWXELFJ-RTYFJBAXSA-N 1 0 342.425 -1.509 20 0 EAADRO Cn1ccnc1C[NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001091376246 787494853 /nfs/dbraw/zinc/49/48/53/787494853.db2.gz RITLRSAILOIUMN-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001091376252 787494447 /nfs/dbraw/zinc/49/44/47/787494447.db2.gz RZPJSDOQZQAHKJ-UHFFFAOYSA-N 1 0 349.395 -1.906 20 0 EAADRO Cn1ncnc1C[NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001091377793 787494839 /nfs/dbraw/zinc/49/48/39/787494839.db2.gz ASNLESAYJUQOLU-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO CC[C@H]([NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001091377811 787494863 /nfs/dbraw/zinc/49/48/63/787494863.db2.gz BGHXNTZWLMAZSI-RTBKNWGFSA-N 1 0 337.384 -1.875 20 0 EAADRO CC[C@@H]([NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1)C(N)=O ZINC001091377812 787494768 /nfs/dbraw/zinc/49/47/68/787494768.db2.gz BGHXNTZWLMAZSI-UDNWOFFPSA-N 1 0 337.384 -1.875 20 0 EAADRO Cn1cc(C[NH2+]C2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001091377817 787495131 /nfs/dbraw/zinc/49/51/31/787495131.db2.gz BOKCFECDUZEKOE-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+]C[C@@H]3CCOC3)C2)nn1 ZINC001091378063 787495212 /nfs/dbraw/zinc/49/52/12/787495212.db2.gz DPAZAODAMHZYKU-UNXYVOJBSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+]C[C@H]3CCOC3)C2)nn1 ZINC001091378065 787494781 /nfs/dbraw/zinc/49/47/81/787494781.db2.gz DPAZAODAMHZYKU-VOMCLLRMSA-N 1 0 336.396 -1.102 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+]CCn3cncn3)C2)nn1 ZINC001091378090 787494311 /nfs/dbraw/zinc/49/43/11/787494311.db2.gz FQFZHPPXQRNEIV-UHFFFAOYSA-N 1 0 347.383 -1.847 20 0 EAADRO Cn1ccc(C[NH2+]C2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001091378104 787494279 /nfs/dbraw/zinc/49/42/79/787494279.db2.gz FUNFYVTTXWYRRY-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1nncc1C[NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001091378109 787496830 /nfs/dbraw/zinc/49/68/30/787496830.db2.gz FVOUIUBMPFDIFT-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cn1cncc1C[NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001091378302 787496036 /nfs/dbraw/zinc/49/60/36/787496036.db2.gz KNSJTHCZNIVLAM-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO CN1CC[C@H]([NH2+]C2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001091378338 787495956 /nfs/dbraw/zinc/49/59/56/787495956.db2.gz LTWKRBSJJARZSG-ILDUYXDCSA-N 1 0 349.395 -1.908 20 0 EAADRO CN1CC[C@@H]([NH2+]C2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)C1=O ZINC001091378339 787495725 /nfs/dbraw/zinc/49/57/25/787495725.db2.gz LTWKRBSJJARZSG-VQXHTEKXSA-N 1 0 349.395 -1.908 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC2CC([NH2+]CC(N)=O)C2)nn1 ZINC001091378413 787496111 /nfs/dbraw/zinc/49/61/11/787496111.db2.gz NJJRWMYJZMTDPX-UHFFFAOYSA-N 1 0 337.384 -2.050 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+]CCn3cccn3)C2)nn1 ZINC001091378605 787496906 /nfs/dbraw/zinc/49/69/06/787496906.db2.gz PCTUCYLXNKLUQL-UHFFFAOYSA-N 1 0 346.395 -1.242 20 0 EAADRO Cn1ncc(C[NH2+]C2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC001091378608 787496505 /nfs/dbraw/zinc/49/65/05/787496505.db2.gz PHAYGPMZAKYNON-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO Cc1nnc(C[NH2+]C2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)[nH]1 ZINC001091378609 787495982 /nfs/dbraw/zinc/49/59/82/787495982.db2.gz PKPLYZQJDZHQQB-UHFFFAOYSA-N 1 0 347.383 -1.512 20 0 EAADRO C[C@H](O)C[NH2+]C1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001091378615 787496250 /nfs/dbraw/zinc/49/62/50/787496250.db2.gz PNXRTEZLKBAHHY-UNXYVOJBSA-N 1 0 338.412 -1.155 20 0 EAADRO C[C@@H](O)C[NH2+]C1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001091378616 787495906 /nfs/dbraw/zinc/49/59/06/787495906.db2.gz PNXRTEZLKBAHHY-VOMCLLRMSA-N 1 0 338.412 -1.155 20 0 EAADRO Cn1nccc1C[NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001091378645 787496882 /nfs/dbraw/zinc/49/68/82/787496882.db2.gz RHGJDJOODVLSLU-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+][C@H]3CCCNC3=O)C2)nn1 ZINC001091378826 787495782 /nfs/dbraw/zinc/49/57/82/787495782.db2.gz VMKJIBGYVXZUOQ-ILDUYXDCSA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+][C@@H]3CCCNC3=O)C2)nn1 ZINC001091378827 787496820 /nfs/dbraw/zinc/49/68/20/787496820.db2.gz VMKJIBGYVXZUOQ-VQXHTEKXSA-N 1 0 349.395 -1.860 20 0 EAADRO Cn1cc(C[NH2+]C2CC(CNC(=O)c3cn(CC(N)=O)nn3)C2)cn1 ZINC001091378878 787496891 /nfs/dbraw/zinc/49/68/91/787496891.db2.gz YLZJRBIQRLXKSG-UHFFFAOYSA-N 1 0 346.395 -1.205 20 0 EAADRO Cn1cnnc1C[NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001091378883 787496370 /nfs/dbraw/zinc/49/63/70/787496370.db2.gz YQIBWCIGIOQZIB-UHFFFAOYSA-N 1 0 347.383 -1.810 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)nn1 ZINC001091378932 787495746 /nfs/dbraw/zinc/49/57/46/787495746.db2.gz ZKRXMSLBZFWKKH-RTBKNWGFSA-N 1 0 335.368 -2.250 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)nn1 ZINC001091378934 787495789 /nfs/dbraw/zinc/49/57/89/787495789.db2.gz ZKRXMSLBZFWKKH-UDNWOFFPSA-N 1 0 335.368 -2.250 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n(C)c1=O ZINC001091381215 787495685 /nfs/dbraw/zinc/49/56/85/787495685.db2.gz IAJMHDNKIDLGCZ-UHFFFAOYSA-N 1 0 349.395 -1.556 20 0 EAADRO 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CC[NH+](CC)CC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092158971 787618896 /nfs/dbraw/zinc/61/88/96/787618896.db2.gz OIKOSVQGAZHPHI-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092158972 787619068 /nfs/dbraw/zinc/61/90/68/787619068.db2.gz OIKOSVQGAZHPHI-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092158973 787619006 /nfs/dbraw/zinc/61/90/06/787619006.db2.gz OIZANDLHPBZZSD-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092158974 787618726 /nfs/dbraw/zinc/61/87/26/787618726.db2.gz OIZANDLHPBZZSD-NWDGAFQWSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092158975 787618469 /nfs/dbraw/zinc/61/84/69/787618469.db2.gz OIZANDLHPBZZSD-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092158976 787618531 /nfs/dbraw/zinc/61/85/31/787618531.db2.gz OIZANDLHPBZZSD-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092159401 787618876 /nfs/dbraw/zinc/61/88/76/787618876.db2.gz WDVUIZHUOGOOIG-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092159402 787618909 /nfs/dbraw/zinc/61/89/09/787618909.db2.gz WDVUIZHUOGOOIG-NWDGAFQWSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092159403 787618988 /nfs/dbraw/zinc/61/89/88/787618988.db2.gz WDVUIZHUOGOOIG-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092159404 787619098 /nfs/dbraw/zinc/61/90/98/787619098.db2.gz WDVUIZHUOGOOIG-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092159461 787619076 /nfs/dbraw/zinc/61/90/76/787619076.db2.gz XIESBHMBRSIZNB-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092159462 787619102 /nfs/dbraw/zinc/61/91/02/787619102.db2.gz XIESBHMBRSIZNB-NWDGAFQWSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092159463 787618414 /nfs/dbraw/zinc/61/84/14/787618414.db2.gz XIESBHMBRSIZNB-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092159464 787618943 /nfs/dbraw/zinc/61/89/43/787618943.db2.gz XIESBHMBRSIZNB-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092160644 787620019 /nfs/dbraw/zinc/62/00/19/787620019.db2.gz HDROECOUXZZYHD-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092160645 787619527 /nfs/dbraw/zinc/61/95/27/787619527.db2.gz HDROECOUXZZYHD-NWDGAFQWSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092160646 787619924 /nfs/dbraw/zinc/61/99/24/787619924.db2.gz HDROECOUXZZYHD-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092160647 787619906 /nfs/dbraw/zinc/61/99/06/787619906.db2.gz HDROECOUXZZYHD-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092162857 787620224 /nfs/dbraw/zinc/62/02/24/787620224.db2.gz SFCWOVGFVHDTSD-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092162859 787619728 /nfs/dbraw/zinc/61/97/28/787619728.db2.gz SFCWOVGFVHDTSD-NWDGAFQWSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092162860 787619481 /nfs/dbraw/zinc/61/94/81/787619481.db2.gz SFCWOVGFVHDTSD-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092162862 787620004 /nfs/dbraw/zinc/62/00/04/787620004.db2.gz SFCWOVGFVHDTSD-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092171522 787623118 /nfs/dbraw/zinc/62/31/18/787623118.db2.gz IMSUFDSWRZXFBM-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092171523 787623217 /nfs/dbraw/zinc/62/32/17/787623217.db2.gz IMSUFDSWRZXFBM-NWDGAFQWSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092171524 787623505 /nfs/dbraw/zinc/62/35/05/787623505.db2.gz IMSUFDSWRZXFBM-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092171525 787622834 /nfs/dbraw/zinc/62/28/34/787622834.db2.gz IMSUFDSWRZXFBM-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO Cn1nnc2c1ncnc2N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001092172541 787623289 /nfs/dbraw/zinc/62/32/89/787623289.db2.gz GBDZTKAGWZTCRD-GHMZBOCLSA-N 1 0 348.411 -1.234 20 0 EAADRO Cn1nnc2c1ncnc2N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001092172543 787623089 /nfs/dbraw/zinc/62/30/89/787623089.db2.gz GBDZTKAGWZTCRD-MNOVXSKESA-N 1 0 348.411 -1.234 20 0 EAADRO Cn1nnc2c1ncnc2N1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001092172545 787622875 /nfs/dbraw/zinc/62/28/75/787622875.db2.gz GBDZTKAGWZTCRD-QWRGUYRKSA-N 1 0 348.411 -1.234 20 0 EAADRO Cn1nnc2c1ncnc2N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001092172547 787623280 /nfs/dbraw/zinc/62/32/80/787623280.db2.gz GBDZTKAGWZTCRD-WDEREUQCSA-N 1 0 348.411 -1.234 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092173492 787624327 /nfs/dbraw/zinc/62/43/27/787624327.db2.gz LMEAOJOPZAIKEU-GHMZBOCLSA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092173493 787624827 /nfs/dbraw/zinc/62/48/27/787624827.db2.gz LMEAOJOPZAIKEU-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@@H]1O ZINC001092173494 787624768 /nfs/dbraw/zinc/62/47/68/787624768.db2.gz LMEAOJOPZAIKEU-QWRGUYRKSA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@H]1O ZINC001092173495 787624760 /nfs/dbraw/zinc/62/47/60/787624760.db2.gz LMEAOJOPZAIKEU-WDEREUQCSA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092173808 787624507 /nfs/dbraw/zinc/62/45/07/787624507.db2.gz PAKPYLHXHCOXKV-GHMZBOCLSA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092173809 787623982 /nfs/dbraw/zinc/62/39/82/787623982.db2.gz PAKPYLHXHCOXKV-MNOVXSKESA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092173810 787624523 /nfs/dbraw/zinc/62/45/23/787624523.db2.gz PAKPYLHXHCOXKV-QWRGUYRKSA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092173811 787624115 /nfs/dbraw/zinc/62/41/15/787624115.db2.gz PAKPYLHXHCOXKV-WDEREUQCSA-N 1 0 334.384 -1.473 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092173925 787624657 /nfs/dbraw/zinc/62/46/57/787624657.db2.gz UUAPUXAXAGMCQL-NEPJUHHUSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092173927 787624676 /nfs/dbraw/zinc/62/46/76/787624676.db2.gz UUAPUXAXAGMCQL-NWDGAFQWSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001092173929 787624844 /nfs/dbraw/zinc/62/48/44/787624844.db2.gz UUAPUXAXAGMCQL-RYUDHWBXSA-N 1 0 348.411 -1.083 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O ZINC001092173931 787624734 /nfs/dbraw/zinc/62/47/34/787624734.db2.gz UUAPUXAXAGMCQL-VXGBXAGGSA-N 1 0 348.411 -1.083 20 0 EAADRO C[C@]12CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092177533 787624777 /nfs/dbraw/zinc/62/47/77/787624777.db2.gz FBLWBVYREPLYOA-BMIGLBTASA-N 1 0 337.380 -1.806 20 0 EAADRO C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001092186261 787625879 /nfs/dbraw/zinc/62/58/79/787625879.db2.gz WVVUPWDWCOXUQB-GDLVEWKHSA-N 1 0 346.391 -1.067 20 0 EAADRO C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001092186262 787625430 /nfs/dbraw/zinc/62/54/30/787625430.db2.gz WVVUPWDWCOXUQB-UVWXRNBGSA-N 1 0 346.391 -1.067 20 0 EAADRO CN1C(=O)CN(CC(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1=O ZINC001092196873 787627065 /nfs/dbraw/zinc/62/70/65/787627065.db2.gz RIWFHDGKPBAYTD-BMIGLBTASA-N 1 0 337.380 -1.854 20 0 EAADRO C[C@]12CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]1C[N@H+](CCO)C2 ZINC001092198826 787627537 /nfs/dbraw/zinc/62/75/37/787627537.db2.gz ZYPBTBPFKYPUFP-BMIGLBTASA-N 1 0 332.364 -1.196 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)n1 ZINC001092217196 787626994 /nfs/dbraw/zinc/62/69/94/787626994.db2.gz CUGIEWVSHCJBGZ-WBMJQRKESA-N 1 0 333.392 -1.183 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092240375 787627136 /nfs/dbraw/zinc/62/71/36/787627136.db2.gz AEFOJXZMPPLZLT-IOASZLSFSA-N 1 0 338.408 -1.501 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092240376 787627911 /nfs/dbraw/zinc/62/79/11/787627911.db2.gz AEFOJXZMPPLZLT-WWGRRREGSA-N 1 0 338.408 -1.501 20 0 EAADRO Cc1nn(CC(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)c(=O)n1C ZINC001092242479 787626876 /nfs/dbraw/zinc/62/68/76/787626876.db2.gz LTMJWBJWYPBGKG-ABAIWWIYSA-N 1 0 336.396 -1.844 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@]2(C)C1 ZINC001092253764 787626846 /nfs/dbraw/zinc/62/68/46/787626846.db2.gz NVXBUCBOYIHDON-BZNIZROVSA-N 1 0 333.392 -1.080 20 0 EAADRO C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001092256755 787626976 /nfs/dbraw/zinc/62/69/76/787626976.db2.gz RCJMLXDWKHFNRJ-HSMVNMDESA-N 1 0 346.391 -1.136 20 0 EAADRO C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001092256756 787627166 /nfs/dbraw/zinc/62/71/66/787627166.db2.gz RCJMLXDWKHFNRJ-WQGACYEGSA-N 1 0 346.391 -1.136 20 0 EAADRO 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787651444 /nfs/dbraw/zinc/65/14/44/787651444.db2.gz NXGCMQCHMWJGDP-NSHDSACASA-N 1 0 347.383 -1.526 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001093308617 787654037 /nfs/dbraw/zinc/65/40/37/787654037.db2.gz JEJITLZUBFXDQC-KBPBESRZSA-N 1 0 347.423 -1.266 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001093308618 787654647 /nfs/dbraw/zinc/65/46/47/787654647.db2.gz JEJITLZUBFXDQC-KGLIPLIRSA-N 1 0 347.423 -1.266 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001093308619 787654020 /nfs/dbraw/zinc/65/40/20/787654020.db2.gz JEJITLZUBFXDQC-UONOGXRCSA-N 1 0 347.423 -1.266 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001093308620 787654238 /nfs/dbraw/zinc/65/42/38/787654238.db2.gz JEJITLZUBFXDQC-ZIAGYGMSSA-N 1 0 347.423 -1.266 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCCS3(=O)=O)C2)nn1 ZINC001093322008 787657587 /nfs/dbraw/zinc/65/75/87/787657587.db2.gz ARXWWACFXSVGLN-UHFFFAOYSA-N 1 0 342.425 -1.194 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001093322066 787656682 /nfs/dbraw/zinc/65/66/82/787656682.db2.gz CLZNBFJUBKDAMK-NSHDSACASA-N 1 0 335.368 -1.243 20 0 EAADRO O=C(Cn1ncnn1)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093322367 787657447 /nfs/dbraw/zinc/65/74/47/787657447.db2.gz JXJHZVNBZYWNPO-LLVKDONJSA-N 1 0 347.383 -1.526 20 0 EAADRO O=C(Cn1ncnn1)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093322369 787656419 /nfs/dbraw/zinc/65/64/19/787656419.db2.gz JXJHZVNBZYWNPO-NSHDSACASA-N 1 0 347.383 -1.526 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cnc(C(N)=O)n3)C2)nn1 ZINC001093322417 787657483 /nfs/dbraw/zinc/65/74/83/787657483.db2.gz KTSCCOOXMQGWAM-UHFFFAOYSA-N 1 0 333.356 -1.839 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)Cn3cnc(C(N)=O)n3)C2)nn1 ZINC001093323025 787657576 /nfs/dbraw/zinc/65/75/76/787657576.db2.gz WZEQFQKSNBSEIQ-UHFFFAOYSA-N 1 0 347.383 -1.450 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)nn1 ZINC001093323376 787656711 /nfs/dbraw/zinc/65/67/11/787656711.db2.gz LIUPDPBZVNHOFX-UHFFFAOYSA-N 1 0 347.379 -1.669 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1 ZINC001093323379 787656893 /nfs/dbraw/zinc/65/68/93/787656893.db2.gz LKKDPCOHUJSAHF-LBPRGKRZSA-N 1 0 347.379 -1.241 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)CN3CCN(C)C(=O)C3)C2)nn1 ZINC001093323903 787656808 /nfs/dbraw/zinc/65/68/08/787656808.db2.gz KLOHTPWRHBXGAH-UHFFFAOYSA-N 1 0 349.439 -1.067 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001093323924 787657369 /nfs/dbraw/zinc/65/73/69/787657369.db2.gz LIQSCAQRHYRHGF-UHFFFAOYSA-N 1 0 334.384 -1.245 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCN(C)C(=O)C3)C2)nn1 ZINC001093324073 787657225 /nfs/dbraw/zinc/65/72/25/787657225.db2.gz QDQDIDLYSHAFBM-UHFFFAOYSA-N 1 0 335.412 -1.455 20 0 EAADRO Cn1cnn(CC(=O)N2CC(n3cc(C[NH2+]CC4CC4)nn3)C2)c1=O ZINC001093324202 787657078 /nfs/dbraw/zinc/65/70/78/787657078.db2.gz VBUUVUQEDKILFT-UHFFFAOYSA-N 1 0 346.395 -1.244 20 0 EAADRO CC[C@H](C(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093324280 787656572 /nfs/dbraw/zinc/65/65/72/787656572.db2.gz XXRODUWJFKGKAQ-UONOGXRCSA-N 1 0 349.439 -1.020 20 0 EAADRO CC[C@H](C(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093324281 787657038 /nfs/dbraw/zinc/65/70/38/787657038.db2.gz XXRODUWJFKGKAQ-ZIAGYGMSSA-N 1 0 349.439 -1.020 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)nn1 ZINC001093325915 787658680 /nfs/dbraw/zinc/65/86/80/787658680.db2.gz WWRIWSVPLCGJIH-UHFFFAOYSA-N 1 0 333.352 -1.267 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CCn3ncn(C)c3=O)C2)nn1 ZINC001093327390 787652981 /nfs/dbraw/zinc/65/29/81/787652981.db2.gz UIABADHZLFZTOI-UHFFFAOYSA-N 1 0 334.384 -1.244 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093327803 787653327 /nfs/dbraw/zinc/65/33/27/787653327.db2.gz HISLZBIWLMWXRO-BXUZGUMPSA-N 1 0 348.407 -1.076 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093327804 787653568 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EAADRO Cn1nnc(C(=O)N2CC(n3cc(C[NH2+]C[C@H]4CCOC4)nn3)C2)n1 ZINC001093329182 787653086 /nfs/dbraw/zinc/65/30/86/787653086.db2.gz HYPNUKQHODQDCV-SNVBAGLBSA-N 1 0 347.383 -1.375 20 0 EAADRO NC(=O)C1(C(=O)N2CC(n3cc(CN[C@@H]4CCNC4=O)nn3)C2)CC1 ZINC001093330530 787654628 /nfs/dbraw/zinc/65/46/28/787654628.db2.gz AJHVLWTZNIIMNW-LLVKDONJSA-N 1 0 347.379 -2.095 20 0 EAADRO NC(=O)C1(C(=O)N2CC(n3cc(CN[C@H]4CCNC4=O)nn3)C2)CC1 ZINC001093330531 787654544 /nfs/dbraw/zinc/65/45/44/787654544.db2.gz AJHVLWTZNIIMNW-NSHDSACASA-N 1 0 347.379 -2.095 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093331173 787653998 /nfs/dbraw/zinc/65/39/98/787653998.db2.gz OBKIWMAUZYVSBW-GWCFXTLKSA-N 1 0 349.395 -1.531 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093331174 787654826 /nfs/dbraw/zinc/65/48/26/787654826.db2.gz OBKIWMAUZYVSBW-GXFFZTMASA-N 1 0 349.395 -1.531 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093331175 787654170 /nfs/dbraw/zinc/65/41/70/787654170.db2.gz OBKIWMAUZYVSBW-MFKMUULPSA-N 1 0 349.395 -1.531 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093331176 787654082 /nfs/dbraw/zinc/65/40/82/787654082.db2.gz OBKIWMAUZYVSBW-ZWNOBZJWSA-N 1 0 349.395 -1.531 20 0 EAADRO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCNC(=O)CC3)nn2)C1 ZINC001093332413 787654601 /nfs/dbraw/zinc/65/46/01/787654601.db2.gz AEHSYNOBJYJHMI-JTQLQIEISA-N 1 0 349.395 -1.847 20 0 EAADRO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C[C@H]3CCNC(=O)CC3)nn2)C1 ZINC001093332414 787654377 /nfs/dbraw/zinc/65/43/77/787654377.db2.gz AEHSYNOBJYJHMI-SNVBAGLBSA-N 1 0 349.395 -1.847 20 0 EAADRO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C[C@H]3C[C@]34CCOC4)nn2)C1 ZINC001093333552 787660218 /nfs/dbraw/zinc/66/02/18/787660218.db2.gz XKUNHDVBWDAATO-BMIGLBTASA-N 1 0 334.380 -1.337 20 0 EAADRO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C[C@@H]3C[C@]34CCOC4)nn2)C1 ZINC001093333553 787660163 /nfs/dbraw/zinc/66/01/63/787660163.db2.gz XKUNHDVBWDAATO-BONVTDFDSA-N 1 0 334.380 -1.337 20 0 EAADRO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C[C@H]3C[C@@]34CCOC4)nn2)C1 ZINC001093333554 787660192 /nfs/dbraw/zinc/66/01/92/787660192.db2.gz XKUNHDVBWDAATO-MEBBXXQBSA-N 1 0 334.380 -1.337 20 0 EAADRO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C[C@@H]3C[C@@]34CCOC4)nn2)C1 ZINC001093333655 787660114 /nfs/dbraw/zinc/66/01/14/787660114.db2.gz XKUNHDVBWDAATO-ZUZCIYMTSA-N 1 0 334.380 -1.337 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093334478 787660181 /nfs/dbraw/zinc/66/01/81/787660181.db2.gz FPOLVRVLQGTQRD-GDLCADMTSA-N 1 0 348.407 -1.091 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093334481 787660195 /nfs/dbraw/zinc/66/01/95/787660195.db2.gz FPOLVRVLQGTQRD-HONMWMINSA-N 1 0 348.407 -1.091 20 0 EAADRO CC[C@@H](C(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093335647 787660037 /nfs/dbraw/zinc/66/00/37/787660037.db2.gz XXRODUWJFKGKAQ-KBPBESRZSA-N 1 0 349.439 -1.020 20 0 EAADRO CC[C@@H](C(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093335648 787660026 /nfs/dbraw/zinc/66/00/26/787660026.db2.gz XXRODUWJFKGKAQ-KGLIPLIRSA-N 1 0 349.439 -1.020 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)nn1 ZINC001093337879 787659949 /nfs/dbraw/zinc/65/99/49/787659949.db2.gz HBYHVLMXBSNPQS-UHFFFAOYSA-N 1 0 347.379 -1.518 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1 ZINC001093337912 787660176 /nfs/dbraw/zinc/66/01/76/787660176.db2.gz HZDCEFZJASSWOD-LBPRGKRZSA-N 1 0 347.379 -1.241 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001093338402 787660212 /nfs/dbraw/zinc/66/02/12/787660212.db2.gz QOVGGFITCBFPSW-NSHDSACASA-N 1 0 335.368 -1.243 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C2)nn1 ZINC001093338718 787659647 /nfs/dbraw/zinc/65/96/47/787659647.db2.gz YATXKKSWQQVFKO-UHFFFAOYSA-N 1 0 349.351 -1.809 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCC(=O)NC3=O)C2)nn1 ZINC001093339448 787660121 /nfs/dbraw/zinc/66/01/21/787660121.db2.gz DMXICSRCYKGKIY-UHFFFAOYSA-N 1 0 335.368 -1.287 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001093340787 787660136 /nfs/dbraw/zinc/66/01/36/787660136.db2.gz KUGBARFRMDDMRD-UHFFFAOYSA-N 1 0 335.368 -1.289 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)nn1 ZINC001093341123 787659963 /nfs/dbraw/zinc/65/99/63/787659963.db2.gz QBQWNBNYBLJOEY-UHFFFAOYSA-N 1 0 347.379 -1.241 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)nn1 ZINC001093341574 787659566 /nfs/dbraw/zinc/65/95/66/787659566.db2.gz WIIOSWUKQGIKJW-GFCCVEGCSA-N 1 0 342.425 -1.195 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)nn1 ZINC001093341575 787660173 /nfs/dbraw/zinc/66/01/73/787660173.db2.gz WIIOSWUKQGIKJW-LBPRGKRZSA-N 1 0 342.425 -1.195 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1 ZINC001093341580 787660242 /nfs/dbraw/zinc/66/02/42/787660242.db2.gz WOKWIHNWJHNZCN-UHFFFAOYSA-N 1 0 347.379 -1.287 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)nn1 ZINC001093341644 787659776 /nfs/dbraw/zinc/65/97/76/787659776.db2.gz ZNIHAGJLPPRNHR-UHFFFAOYSA-N 1 0 347.379 -1.289 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CN3CC(=O)N(C)C3=O)C2)nn1 ZINC001093341878 787660208 /nfs/dbraw/zinc/66/02/08/787660208.db2.gz CIHJVGZGSLDONI-UHFFFAOYSA-N 1 0 335.368 -1.335 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001093342831 787660089 /nfs/dbraw/zinc/66/00/89/787660089.db2.gz XXPVBPOAISOTSJ-LLVKDONJSA-N 1 0 345.367 -2.000 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001093342835 787660152 /nfs/dbraw/zinc/66/01/52/787660152.db2.gz XXPVBPOAISOTSJ-NSHDSACASA-N 1 0 345.367 -2.000 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)nn1 ZINC001093343515 787660462 /nfs/dbraw/zinc/66/04/62/787660462.db2.gz HEFXKSYJDCOSBA-LLVKDONJSA-N 1 0 335.368 -1.241 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001093343516 787661009 /nfs/dbraw/zinc/66/10/09/787661009.db2.gz HEFXKSYJDCOSBA-NSHDSACASA-N 1 0 335.368 -1.241 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nc(C)n(C)c3=O)C2)nn1 ZINC001093343549 787660709 /nfs/dbraw/zinc/66/07/09/787660709.db2.gz IVUBCDWZNNBNJW-UHFFFAOYSA-N 1 0 334.384 -1.325 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(CN[C@@H]4CCNC4=O)nn3)C2)C1 ZINC001093343579 787660510 /nfs/dbraw/zinc/66/05/10/787660510.db2.gz KFCGFMKMCAWSHF-BXUZGUMPSA-N 1 0 347.423 -1.409 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(CN[C@H]4CCNC4=O)nn3)C2)C1 ZINC001093343580 787661049 /nfs/dbraw/zinc/66/10/49/787661049.db2.gz KFCGFMKMCAWSHF-FZMZJTMJSA-N 1 0 347.423 -1.409 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(CN[C@H]4CCNC4=O)nn3)C2)C1 ZINC001093343581 787661088 /nfs/dbraw/zinc/66/10/88/787661088.db2.gz KFCGFMKMCAWSHF-RISCZKNCSA-N 1 0 347.423 -1.409 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(CN[C@@H]4CCNC4=O)nn3)C2)C1 ZINC001093343649 787658411 /nfs/dbraw/zinc/65/84/11/787658411.db2.gz KFCGFMKMCAWSHF-SMDDNHRTSA-N 1 0 347.423 -1.409 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)nn1 ZINC001093343739 787657767 /nfs/dbraw/zinc/65/77/67/787657767.db2.gz ONUGRHIUDSCUKJ-UHFFFAOYSA-N 1 0 333.352 -1.116 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001093343834 787658566 /nfs/dbraw/zinc/65/85/66/787658566.db2.gz SVOIHBHFKGIYPH-UHFFFAOYSA-N 1 0 335.368 -1.289 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)CN(C)C3=O)C2)nn1 ZINC001093343847 787658808 /nfs/dbraw/zinc/65/88/08/787658808.db2.gz UEGGJIJAOBVJGE-UHFFFAOYSA-N 1 0 335.368 -1.335 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1 ZINC001093343908 787658820 /nfs/dbraw/zinc/65/88/20/787658820.db2.gz WNVKIMZCSGDALP-UHFFFAOYSA-N 1 0 347.379 -1.287 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001093343925 787657903 /nfs/dbraw/zinc/65/79/03/787657903.db2.gz XETFMJGGJKXVGL-AWEZNQCLSA-N 1 0 347.423 -1.265 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001093343926 787657985 /nfs/dbraw/zinc/65/79/85/787657985.db2.gz XETFMJGGJKXVGL-CQSZACIVSA-N 1 0 347.423 -1.265 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)c3nccnc3C(N)=O)C2)nn1 ZINC001093343934 787658765 /nfs/dbraw/zinc/65/87/65/787658765.db2.gz XOPPZTBRNVQZAJ-UHFFFAOYSA-N 1 0 330.352 -1.026 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001093344993 787658898 /nfs/dbraw/zinc/65/88/98/787658898.db2.gz BHKNBVGDACUQSY-GFCCVEGCSA-N 1 0 342.425 -1.149 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001093344994 787658757 /nfs/dbraw/zinc/65/87/57/787658757.db2.gz BHKNBVGDACUQSY-LBPRGKRZSA-N 1 0 342.425 -1.149 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001093345207 787658541 /nfs/dbraw/zinc/65/85/41/787658541.db2.gz HHMJAWRVWFRPEY-UHFFFAOYSA-N 1 0 333.356 -1.839 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001093345451 787658208 /nfs/dbraw/zinc/65/82/08/787658208.db2.gz KRLUBQSTECWCIA-LLVKDONJSA-N 1 0 328.398 -1.537 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001093345453 787658272 /nfs/dbraw/zinc/65/82/72/787658272.db2.gz KRLUBQSTECWCIA-NSHDSACASA-N 1 0 328.398 -1.537 20 0 EAADRO CC(C)[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001093345550 787658919 /nfs/dbraw/zinc/65/89/19/787658919.db2.gz NJAAOAZCXZMWDL-UHFFFAOYSA-N 1 0 347.383 -1.450 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 ZINC001093389976 787660997 /nfs/dbraw/zinc/66/09/97/787660997.db2.gz BSADXRGHTRGCGL-UHFFFAOYSA-N 1 0 337.384 -1.712 20 0 EAADRO C[C@H]([NH2+]C1CCC2(CC1)CN(C(=O)CC(N)=O)CCO2)C(N)=O ZINC001093390856 787660952 /nfs/dbraw/zinc/66/09/52/787660952.db2.gz CLQFILCCRMJWEO-NLTNOIMHSA-N 1 0 326.397 -1.135 20 0 EAADRO C[C@@H]([NH2+]C1CCC2(CC1)CN(C(=O)CC(N)=O)CCO2)C(N)=O ZINC001093390857 787660921 /nfs/dbraw/zinc/66/09/21/787660921.db2.gz CLQFILCCRMJWEO-RWWNRMGGSA-N 1 0 326.397 -1.135 20 0 EAADRO NC(=O)CC(=O)N1CCOC2(CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001093391511 787660814 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EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 ZINC001093398059 787661884 /nfs/dbraw/zinc/66/18/84/787661884.db2.gz JYMGCFFQQLBOOF-UHFFFAOYSA-N 1 0 337.384 -1.712 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 ZINC001093399692 787662090 /nfs/dbraw/zinc/66/20/90/787662090.db2.gz MQXVAJTTYMKCHF-UHFFFAOYSA-N 1 0 336.396 -1.107 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 ZINC001093403597 787661498 /nfs/dbraw/zinc/66/14/98/787661498.db2.gz DDUHFZGLFANLKK-UHFFFAOYSA-N 1 0 349.391 -1.001 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC001093403614 787662349 /nfs/dbraw/zinc/66/23/49/787662349.db2.gz DXUAXNGRXLSBCA-LOIXOFCESA-N 1 0 339.396 -1.717 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 ZINC001093403617 787661894 /nfs/dbraw/zinc/66/18/94/787661894.db2.gz DXUAXNGRXLSBCA-VTWZXRTESA-N 1 0 339.396 -1.717 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 ZINC001093403691 787662140 /nfs/dbraw/zinc/66/21/40/787662140.db2.gz YIRMNDARXDBQCO-BGMSHATGSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 ZINC001093403692 787661686 /nfs/dbraw/zinc/66/16/86/787661686.db2.gz YIRMNDARXDBQCO-BWBHSNQOSA-N 1 0 338.408 -1.262 20 0 EAADRO Cn1nnc(C(=O)N2CCOC3(CCC([NH2+]CC(N)=O)CC3)C2)n1 ZINC001093404051 787661876 /nfs/dbraw/zinc/66/18/76/787661876.db2.gz OHXXQCDBDQYMST-UHFFFAOYSA-N 1 0 337.384 -1.561 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001093404181 787661742 /nfs/dbraw/zinc/66/17/42/787661742.db2.gz URBNHRWZCDKNTL-AVERBVTBSA-N 1 0 326.397 -1.210 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001093404182 787661543 /nfs/dbraw/zinc/66/15/43/787661543.db2.gz URBNHRWZCDKNTL-MQYJIDSJSA-N 1 0 326.397 -1.210 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CCC([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001093406272 787661562 /nfs/dbraw/zinc/66/15/62/787661562.db2.gz BDRLLHQEXNJXQC-UHFFFAOYSA-N 1 0 338.408 -1.166 20 0 EAADRO Cn1cc(C[NH2+]C2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)nn1 ZINC001093406365 787662062 /nfs/dbraw/zinc/66/20/62/787662062.db2.gz FLGAYYJMVUXRMB-UHFFFAOYSA-N 1 0 336.396 -1.070 20 0 EAADRO Cn1nncc1C[NH2+]C1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC001093406471 787662146 /nfs/dbraw/zinc/66/21/46/787662146.db2.gz ICAIFGSFXJKWNR-UHFFFAOYSA-N 1 0 336.396 -1.070 20 0 EAADRO Cn1ncnc1C[NH2+]C1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC001093406519 787661863 /nfs/dbraw/zinc/66/18/63/787661863.db2.gz JKCNJCWRTIZCHD-UHFFFAOYSA-N 1 0 336.396 -1.070 20 0 EAADRO CC[C@@H]([NH2+]C1CCC2(CC1)CN(C(=O)C(N)=O)CCO2)C(N)=O ZINC001093406597 787661554 /nfs/dbraw/zinc/66/15/54/787661554.db2.gz LEVHPUKLBNDHGA-LOIXOFCESA-N 1 0 326.397 -1.135 20 0 EAADRO CC[C@H]([NH2+]C1CCC2(CC1)CN(C(=O)C(N)=O)CCO2)C(N)=O ZINC001093406598 787662028 /nfs/dbraw/zinc/66/20/28/787662028.db2.gz LEVHPUKLBNDHGA-VTWZXRTESA-N 1 0 326.397 -1.135 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CCC([NH2+]CCn3cncn3)CC2)C1 ZINC001093406640 787661682 /nfs/dbraw/zinc/66/16/82/787661682.db2.gz NCQFAJOSQVOIJD-UHFFFAOYSA-N 1 0 336.396 -1.107 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 ZINC001093406679 787661902 /nfs/dbraw/zinc/66/19/02/787661902.db2.gz OWDNLOBKVSAGJE-UHFFFAOYSA-N 1 0 338.408 -1.133 20 0 EAADRO Cn1cnnc1C[NH2+]C1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC001093406950 787662003 /nfs/dbraw/zinc/66/20/03/787662003.db2.gz QYRPCTGSAFCJKD-UHFFFAOYSA-N 1 0 336.396 -1.070 20 0 EAADRO Cn1ncc(C[NH2+]C2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)n1 ZINC001093406974 787662031 /nfs/dbraw/zinc/66/20/31/787662031.db2.gz RTDSIFCFCCZJJG-UHFFFAOYSA-N 1 0 336.396 -1.070 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC001093407017 787661967 /nfs/dbraw/zinc/66/19/67/787661967.db2.gz UZWNDXQKUOUJFN-UHFFFAOYSA-N 1 0 337.384 -1.675 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 ZINC001093407074 787662249 /nfs/dbraw/zinc/66/22/49/787662249.db2.gz MSXXFMOFJDYBPU-QNGPIJNLSA-N 1 0 338.408 -1.277 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CCC([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC001093407203 787661948 /nfs/dbraw/zinc/66/19/48/787661948.db2.gz ZHAXUPBKOLTVGS-BGMSHATGSA-N 1 0 338.408 -1.120 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CCC([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC001093407204 787661600 /nfs/dbraw/zinc/66/16/00/787661600.db2.gz ZHAXUPBKOLTVGS-BWBHSNQOSA-N 1 0 338.408 -1.120 20 0 EAADRO CN1CC[C@H]([NH2+]C2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)C1=O ZINC001093407210 787661909 /nfs/dbraw/zinc/66/19/09/787661909.db2.gz ZLORKRVKNBDUEM-BGMSHATGSA-N 1 0 338.408 -1.168 20 0 EAADRO CN1CC[C@@H]([NH2+]C2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)C1=O ZINC001093407211 787662159 /nfs/dbraw/zinc/66/21/59/787662159.db2.gz ZLORKRVKNBDUEM-BWBHSNQOSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)Cc1nnc[nH]1)CCO2 ZINC001093412175 787662174 /nfs/dbraw/zinc/66/21/74/787662174.db2.gz WICWHZWDRVWOKH-UHFFFAOYSA-N 1 0 336.396 -1.038 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 ZINC001093412209 787662280 /nfs/dbraw/zinc/66/22/80/787662280.db2.gz XYVGJSUQBYRDOG-BGMSHATGSA-N 1 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CC(C)[C@H]1N(C(=O)CC(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093436688 787662220 /nfs/dbraw/zinc/66/22/20/787662220.db2.gz KEJSLDHARRXZKY-IDMWTJEOSA-N 1 0 326.397 -1.687 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CC(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093436689 787661609 /nfs/dbraw/zinc/66/16/09/787661609.db2.gz KEJSLDHARRXZKY-RPVFDAQASA-N 1 0 326.397 -1.687 20 0 EAADRO CC(C)[C@H]1N(C(=O)CC(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093436690 787661983 /nfs/dbraw/zinc/66/19/83/787661983.db2.gz KEJSLDHARRXZKY-XEQNPHJVSA-N 1 0 326.397 -1.687 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CC(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093436691 787661712 /nfs/dbraw/zinc/66/17/12/787661712.db2.gz KEJSLDHARRXZKY-ZMRCNFHJSA-N 1 0 326.397 -1.687 20 0 EAADRO CC(C)[C@H]1N(C(=O)CS(C)(=O)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093437221 787661756 /nfs/dbraw/zinc/66/17/56/787661756.db2.gz PJLISXTUQCWNEK-GBOPCIDUSA-N 1 0 348.465 -1.011 20 0 EAADRO CC(C)[C@H]1N(C(=O)CS(C)(=O)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093437222 787661927 /nfs/dbraw/zinc/66/19/27/787661927.db2.gz PJLISXTUQCWNEK-QHSBEEBCSA-N 1 0 348.465 -1.011 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CS(C)(=O)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093437223 787661961 /nfs/dbraw/zinc/66/19/61/787661961.db2.gz PJLISXTUQCWNEK-RJZRQDKASA-N 1 0 348.465 -1.011 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CS(C)(=O)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093437224 787661454 /nfs/dbraw/zinc/66/14/54/787661454.db2.gz PJLISXTUQCWNEK-UXOAXIEHSA-N 1 0 348.465 -1.011 20 0 EAADRO CC(C)[C@H]1N(C(=O)Cn2ncnn2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093447492 787661579 /nfs/dbraw/zinc/66/15/79/787661579.db2.gz WMKQRXRNWFMFGY-GBOPCIDUSA-N 1 0 338.412 -1.369 20 0 EAADRO CC(C)[C@H]1N(C(=O)Cn2ncnn2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093447493 787661750 /nfs/dbraw/zinc/66/17/50/787661750.db2.gz WMKQRXRNWFMFGY-QHSBEEBCSA-N 1 0 338.412 -1.369 20 0 EAADRO CC(C)[C@@H]1N(C(=O)Cn2ncnn2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093447494 787661856 /nfs/dbraw/zinc/66/18/56/787661856.db2.gz WMKQRXRNWFMFGY-RJZRQDKASA-N 1 0 338.412 -1.369 20 0 EAADRO CC(C)[C@@H]1N(C(=O)Cn2ncnn2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093447495 787661519 /nfs/dbraw/zinc/66/15/19/787661519.db2.gz WMKQRXRNWFMFGY-UXOAXIEHSA-N 1 0 338.412 -1.369 20 0 EAADRO CC(C)[C@H]1N(C(=O)c2nnn(C)n2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093455359 787661625 /nfs/dbraw/zinc/66/16/25/787661625.db2.gz MHXHURSMYYTXKE-BLTAXRJOSA-N 1 0 338.412 -1.218 20 0 EAADRO CC(C)[C@@H]1N(C(=O)c2nnn(C)n2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093455360 787662331 /nfs/dbraw/zinc/66/23/31/787662331.db2.gz MHXHURSMYYTXKE-FJJYHAOUSA-N 1 0 338.412 -1.218 20 0 EAADRO CC(C)[C@@H]1N(C(=O)c2nnn(C)n2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093455361 787662119 /nfs/dbraw/zinc/66/21/19/787662119.db2.gz MHXHURSMYYTXKE-MCYUEQNJSA-N 1 0 338.412 -1.218 20 0 EAADRO CC(C)[C@H]1N(C(=O)c2nnn(C)n2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093455362 787662166 /nfs/dbraw/zinc/66/21/66/787662166.db2.gz MHXHURSMYYTXKE-RTWAVKEYSA-N 1 0 338.412 -1.218 20 0 EAADRO CC(C)[C@@H]1N(C(=O)c2cn[nH]n2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093457107 787661843 /nfs/dbraw/zinc/66/18/43/787661843.db2.gz HURVCGSLPNUZEA-RNKJKDHYSA-N 1 0 336.396 -1.130 20 0 EAADRO CC(C)[C@H]1N(C(=O)c2cn[nH]n2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093457109 787661647 /nfs/dbraw/zinc/66/16/47/787661647.db2.gz HURVCGSLPNUZEA-YYWQGFNFSA-N 1 0 336.396 -1.130 20 0 EAADRO CC(C)[C@@H]1N(C(=O)c2cn[nH]n2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093457110 787662153 /nfs/dbraw/zinc/66/21/53/787662153.db2.gz HURVCGSLPNUZEA-ZOUAZZMLSA-N 1 0 336.396 -1.130 20 0 EAADRO CC(C)[C@H]1N(C(=O)c2cn[nH]n2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093457111 787661977 /nfs/dbraw/zinc/66/19/77/787661977.db2.gz HURVCGSLPNUZEA-ZTYOMDHBSA-N 1 0 336.396 -1.130 20 0 EAADRO CC(C)[C@@H]1N(C(=O)c2nc[nH]n2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093470698 787661914 /nfs/dbraw/zinc/66/19/14/787661914.db2.gz YOOJBZPAAFDFDD-DSKWVYQCSA-N 1 0 336.396 -1.130 20 0 EAADRO CC(C)[C@@H]1N(C(=O)c2nc[nH]n2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093470699 787662356 /nfs/dbraw/zinc/66/23/56/787662356.db2.gz YOOJBZPAAFDFDD-FCIGDQIPSA-N 1 0 336.396 -1.130 20 0 EAADRO CC(C)[C@H]1N(C(=O)c2nc[nH]n2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093470700 787661776 /nfs/dbraw/zinc/66/17/76/787661776.db2.gz YOOJBZPAAFDFDD-NDLNZWKESA-N 1 0 336.396 -1.130 20 0 EAADRO CC(C)[C@H]1N(C(=O)c2nc[nH]n2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093470701 787661993 /nfs/dbraw/zinc/66/19/93/787661993.db2.gz YOOJBZPAAFDFDD-NOBRSGAKSA-N 1 0 336.396 -1.130 20 0 EAADRO C[C@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001093488762 787661806 /nfs/dbraw/zinc/66/18/06/787661806.db2.gz TWGXEUGYCZOKMZ-RTXFEEFZSA-N 1 0 337.424 -1.515 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001093488763 787662041 /nfs/dbraw/zinc/66/20/41/787662041.db2.gz TWGXEUGYCZOKMZ-WCFLWFBJSA-N 1 0 337.424 -1.515 20 0 EAADRO CNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001093489136 787662051 /nfs/dbraw/zinc/66/20/51/787662051.db2.gz YCFARVOIQQVXEA-BETUJISGSA-N 1 0 337.424 -1.643 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093627651 787667843 /nfs/dbraw/zinc/66/78/43/787667843.db2.gz MADOUOJARNLIRU-GMTAPVOTSA-N 1 0 335.368 -1.838 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093627653 787667450 /nfs/dbraw/zinc/66/74/50/787667450.db2.gz MADOUOJARNLIRU-MXWKQRLJSA-N 1 0 335.368 -1.838 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093627957 787667567 /nfs/dbraw/zinc/66/75/67/787667567.db2.gz UUELPOLQUGCUPN-JHJVBQTASA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093627958 787667456 /nfs/dbraw/zinc/66/74/56/787667456.db2.gz UUELPOLQUGCUPN-UPJWGTAASA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)c1nnnn1C ZINC001093628155 787667907 /nfs/dbraw/zinc/66/79/07/787667907.db2.gz YWVVYQFJSCUXRW-GMTAPVOTSA-N 1 0 334.388 -1.358 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)c1nnnn1C ZINC001093628156 787667418 /nfs/dbraw/zinc/66/74/18/787667418.db2.gz YWVVYQFJSCUXRW-OUAUKWLOSA-N 1 0 334.388 -1.358 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)C1=O ZINC001093629049 787667945 /nfs/dbraw/zinc/66/79/45/787667945.db2.gz UGYQIFMSCBAULJ-JHJVBQTASA-N 1 0 335.412 -1.022 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)C1=O ZINC001093629050 787667701 /nfs/dbraw/zinc/66/77/01/787667701.db2.gz UGYQIFMSCBAULJ-UPJWGTAASA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093647791 787667529 /nfs/dbraw/zinc/66/75/29/787667529.db2.gz FJDLMZSRXASKTJ-IJLUTSLNSA-N 1 0 339.396 -1.292 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093647792 787667495 /nfs/dbraw/zinc/66/74/95/787667495.db2.gz FJDLMZSRXASKTJ-UTUOFQBUSA-N 1 0 339.396 -1.292 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093662555 787669092 /nfs/dbraw/zinc/66/90/92/787669092.db2.gz UREBJJRWEZFTAP-GMTAPVOTSA-N 1 0 345.421 -1.480 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093662556 787668836 /nfs/dbraw/zinc/66/88/36/787668836.db2.gz UREBJJRWEZFTAP-MXWKQRLJSA-N 1 0 345.421 -1.480 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093662570 787668991 /nfs/dbraw/zinc/66/89/91/787668991.db2.gz VRFQNUWHIPHWCD-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093662571 787668602 /nfs/dbraw/zinc/66/86/02/787668602.db2.gz VRFQNUWHIPHWCD-UTUOFQBUSA-N 1 0 331.438 -1.006 20 0 EAADRO 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C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293289 787700718 /nfs/dbraw/zinc/70/07/18/787700718.db2.gz IMKMHGNARQAOTJ-JTNHKYCSSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293290 787699956 /nfs/dbraw/zinc/69/99/56/787699956.db2.gz IMKMHGNARQAOTJ-UHIISALHSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@@H]1[C@H](C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)CC[N@@H+]1C ZINC001094293309 787700393 /nfs/dbraw/zinc/70/03/93/787700393.db2.gz JLQODRHEZPJVDQ-ZWNOBZJWSA-N 1 0 335.412 -1.424 20 0 EAADRO CC[C@@H]1[C@@H](C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)CC[N@@H+]1C ZINC001094293496 787700587 /nfs/dbraw/zinc/70/05/87/787700587.db2.gz PZQVPDLSPRBKEU-UONOGXRCSA-N 1 0 349.439 -1.033 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094299590 787702160 /nfs/dbraw/zinc/70/21/60/787702160.db2.gz BZGCARUHKRIGLM-CYBMUJFWSA-N 1 0 335.412 -1.279 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094299591 787701056 /nfs/dbraw/zinc/70/10/56/787701056.db2.gz BZGCARUHKRIGLM-ZDUSSCGKSA-N 1 0 335.412 -1.279 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC001094300179 787702178 /nfs/dbraw/zinc/70/21/78/787702178.db2.gz HEGJMOCHMNKZSM-AWEZNQCLSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC001094300180 787701988 /nfs/dbraw/zinc/70/19/88/787701988.db2.gz HEGJMOCHMNKZSM-CQSZACIVSA-N 1 0 349.439 -1.019 20 0 EAADRO NC(=O)CN1CC(n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001094304103 787693233 /nfs/dbraw/zinc/69/32/33/787693233.db2.gz QJQYFXNCLLZASF-UHFFFAOYSA-N 1 0 347.423 -1.135 20 0 EAADRO Cn1nnc(C(=O)NCc2cn(C3C[NH+](C[C@@H]4CCOC4)C3)nn2)n1 ZINC001094310426 787694478 /nfs/dbraw/zinc/69/44/78/787694478.db2.gz JRQAGQURDSEDRJ-JTQLQIEISA-N 1 0 347.383 -1.375 20 0 EAADRO Cn1nnc(C(=O)NCc2cn(C3C[NH+](C[C@H]4CCOC4)C3)nn2)n1 ZINC001094310427 787694672 /nfs/dbraw/zinc/69/46/72/787694672.db2.gz JRQAGQURDSEDRJ-SNVBAGLBSA-N 1 0 347.383 -1.375 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1)[C@@H]1CCNC1=O ZINC001094311079 787696169 /nfs/dbraw/zinc/69/61/69/787696169.db2.gz HFJPGGALAHRBSI-BXUZGUMPSA-N 1 0 348.407 -1.076 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1)[C@H]1CCNC1=O ZINC001094311080 787695830 /nfs/dbraw/zinc/69/58/30/787695830.db2.gz HFJPGGALAHRBSI-FZMZJTMJSA-N 1 0 348.407 -1.076 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1)[C@H]1CCNC1=O ZINC001094311081 787695957 /nfs/dbraw/zinc/69/59/57/787695957.db2.gz HFJPGGALAHRBSI-RISCZKNCSA-N 1 0 348.407 -1.076 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1)[C@@H]1CCNC1=O ZINC001094311082 787695812 /nfs/dbraw/zinc/69/58/12/787695812.db2.gz HFJPGGALAHRBSI-SMDDNHRTSA-N 1 0 348.407 -1.076 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)CC[N@@H+]1C ZINC001094313966 787696161 /nfs/dbraw/zinc/69/61/61/787696161.db2.gz JOZPGJGRYQYNKA-RYUDHWBXSA-N 1 0 349.439 -1.033 20 0 EAADRO C[NH+]1CCC(C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)CC1 ZINC001094314972 787696139 /nfs/dbraw/zinc/69/61/39/787696139.db2.gz FSCWOWHBVIDXMP-UHFFFAOYSA-N 1 0 335.412 -1.422 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1)[C@@H]1CNC(=O)N1 ZINC001094315567 787697258 /nfs/dbraw/zinc/69/72/58/787697258.db2.gz SLAULBDPIIZPDI-GWCFXTLKSA-N 1 0 349.395 -1.531 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1)[C@H]1CNC(=O)N1 ZINC001094315568 787697198 /nfs/dbraw/zinc/69/71/98/787697198.db2.gz SLAULBDPIIZPDI-GXFFZTMASA-N 1 0 349.395 -1.531 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1)[C@@H]1CNC(=O)N1 ZINC001094315569 787697303 /nfs/dbraw/zinc/69/73/03/787697303.db2.gz SLAULBDPIIZPDI-MFKMUULPSA-N 1 0 349.395 -1.531 20 0 EAADRO O=C(NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1)[C@H]1CNC(=O)N1 ZINC001094315570 787697323 /nfs/dbraw/zinc/69/73/23/787697323.db2.gz SLAULBDPIIZPDI-ZWNOBZJWSA-N 1 0 349.395 -1.531 20 0 EAADRO C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001094315597 787696776 /nfs/dbraw/zinc/69/67/76/787696776.db2.gz 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CNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001094317154 787697331 /nfs/dbraw/zinc/69/73/31/787697331.db2.gz RBPAKQDKXGYTCE-SMDDNHRTSA-N 1 0 349.439 -1.305 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094317545 787696814 /nfs/dbraw/zinc/69/68/14/787696814.db2.gz ZCTJKDJIRHARKR-GWCFXTLKSA-N 1 0 335.412 -1.566 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094317551 787696735 /nfs/dbraw/zinc/69/67/35/787696735.db2.gz ZCTJKDJIRHARKR-GXFFZTMASA-N 1 0 335.412 -1.566 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094317552 787697161 /nfs/dbraw/zinc/69/71/61/787697161.db2.gz ZCTJKDJIRHARKR-MFKMUULPSA-N 1 0 335.412 -1.566 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094317554 787697475 /nfs/dbraw/zinc/69/74/75/787697475.db2.gz ZCTJKDJIRHARKR-ZWNOBZJWSA-N 1 0 335.412 -1.566 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001094318937 787697375 /nfs/dbraw/zinc/69/73/75/787697375.db2.gz GOLNVOJDEPPVCI-GDLCADMTSA-N 1 0 348.407 -1.091 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001094318938 787697295 /nfs/dbraw/zinc/69/72/95/787697295.db2.gz GOLNVOJDEPPVCI-HONMWMINSA-N 1 0 348.407 -1.091 20 0 EAADRO C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001094335484 787705008 /nfs/dbraw/zinc/70/50/08/787705008.db2.gz HVFGVQKBRSAUNO-LLVKDONJSA-N 1 0 347.423 -1.279 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001094335486 787704305 /nfs/dbraw/zinc/70/43/05/787704305.db2.gz HVFGVQKBRSAUNO-NSHDSACASA-N 1 0 347.423 -1.279 20 0 EAADRO NC(=O)CN1CC(n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001094335922 787705146 /nfs/dbraw/zinc/70/51/46/787705146.db2.gz UEEHBXNJOAXOGC-UHFFFAOYSA-N 1 0 333.396 -1.668 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001094336051 787704234 /nfs/dbraw/zinc/70/42/34/787704234.db2.gz VFJVVUFVNKCLJZ-UHFFFAOYSA-N 1 0 347.423 -1.407 20 0 EAADRO NC(=O)CN1CC(n2cc(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)nn2)C1 ZINC001094336330 787704327 /nfs/dbraw/zinc/70/43/27/787704327.db2.gz ANCGTXVQOJXYIY-INIZCTEOSA-N 1 0 347.423 -1.278 20 0 EAADRO COc1c(C(=O)NCc2cn(C3CN(CCO)C3)nn2)cnn1C ZINC001094336553 787705085 /nfs/dbraw/zinc/70/50/85/787705085.db2.gz IGUGKPVWXAUOOQ-UHFFFAOYSA-N 1 0 335.368 -1.201 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094336579 787704265 /nfs/dbraw/zinc/70/42/65/787704265.db2.gz JCLNVJNIJWLKOE-CYBMUJFWSA-N 1 0 336.396 -1.246 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094336581 787704765 /nfs/dbraw/zinc/70/47/65/787704765.db2.gz JCLNVJNIJWLKOE-ZDUSSCGKSA-N 1 0 336.396 -1.246 20 0 EAADRO COCCn1cc(C(=O)NCc2cn(C3CN(CCO)C3)nn2)cn1 ZINC001094336639 787704677 /nfs/dbraw/zinc/70/46/77/787704677.db2.gz KMNLUCQXVPDAPY-UHFFFAOYSA-N 1 0 349.395 -1.100 20 0 EAADRO C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338367 787706598 /nfs/dbraw/zinc/70/65/98/787706598.db2.gz GLUVNKHITOCYLU-GHMZBOCLSA-N 1 0 335.412 -1.424 20 0 EAADRO C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338369 787706207 /nfs/dbraw/zinc/70/62/07/787706207.db2.gz GLUVNKHITOCYLU-MNOVXSKESA-N 1 0 335.412 -1.424 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338372 787706646 /nfs/dbraw/zinc/70/66/46/787706646.db2.gz GLUVNKHITOCYLU-QWRGUYRKSA-N 1 0 335.412 -1.424 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338374 787705728 /nfs/dbraw/zinc/70/57/28/787705728.db2.gz GLUVNKHITOCYLU-WDEREUQCSA-N 1 0 335.412 -1.424 20 0 EAADRO CNC(=O)[C@@H](C)N1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338570 787706519 /nfs/dbraw/zinc/70/65/19/787706519.db2.gz LDWSBEWICRXPSA-NEPJUHHUSA-N 1 0 349.439 -1.163 20 0 EAADRO CNC(=O)[C@H](C)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338571 787706124 /nfs/dbraw/zinc/70/61/24/787706124.db2.gz LDWSBEWICRXPSA-NWDGAFQWSA-N 1 0 349.439 -1.163 20 0 EAADRO CNC(=O)[C@H](C)N1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338572 787705968 /nfs/dbraw/zinc/70/59/68/787705968.db2.gz LDWSBEWICRXPSA-RYUDHWBXSA-N 1 0 349.439 -1.163 20 0 EAADRO CNC(=O)[C@@H](C)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338573 787706766 /nfs/dbraw/zinc/70/67/66/787706766.db2.gz LDWSBEWICRXPSA-VXGBXAGGSA-N 1 0 349.439 -1.163 20 0 EAADRO CC[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338590 787706730 /nfs/dbraw/zinc/70/67/30/787706730.db2.gz LUFPELSWUAVLJZ-BXUZGUMPSA-N 1 0 349.439 -1.033 20 0 EAADRO CC[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338591 787706749 /nfs/dbraw/zinc/70/67/49/787706749.db2.gz LUFPELSWUAVLJZ-FZMZJTMJSA-N 1 0 349.439 -1.033 20 0 EAADRO CC[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338592 787706659 /nfs/dbraw/zinc/70/66/59/787706659.db2.gz LUFPELSWUAVLJZ-RISCZKNCSA-N 1 0 349.439 -1.033 20 0 EAADRO CC[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338593 787706311 /nfs/dbraw/zinc/70/63/11/787706311.db2.gz LUFPELSWUAVLJZ-SMDDNHRTSA-N 1 0 349.439 -1.033 20 0 EAADRO CN(C)C(=O)CN1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338601 787706632 /nfs/dbraw/zinc/70/66/32/787706632.db2.gz MCTWDAVHWVLIPR-GFCCVEGCSA-N 1 0 349.439 -1.209 20 0 EAADRO CN(C)C(=O)CN1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338602 787706007 /nfs/dbraw/zinc/70/60/07/787706007.db2.gz MCTWDAVHWVLIPR-LBPRGKRZSA-N 1 0 349.439 -1.209 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCc2cn(C3CN([C@@H]4CCNC4=O)C3)nn2)C1 ZINC001094338603 787706329 /nfs/dbraw/zinc/70/63/29/787706329.db2.gz MDSUIRGPGKNHHK-BXUZGUMPSA-N 1 0 347.423 -1.409 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCc2cn(C3CN([C@H]4CCNC4=O)C3)nn2)C1 ZINC001094338604 787706072 /nfs/dbraw/zinc/70/60/72/787706072.db2.gz MDSUIRGPGKNHHK-FZMZJTMJSA-N 1 0 347.423 -1.409 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCc2cn(C3CN([C@H]4CCNC4=O)C3)nn2)C1 ZINC001094338605 787706616 /nfs/dbraw/zinc/70/66/16/787706616.db2.gz MDSUIRGPGKNHHK-RISCZKNCSA-N 1 0 347.423 -1.409 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCc2cn(C3CN([C@@H]4CCNC4=O)C3)nn2)C1 ZINC001094338607 787706167 /nfs/dbraw/zinc/70/61/67/787706167.db2.gz MDSUIRGPGKNHHK-SMDDNHRTSA-N 1 0 347.423 -1.409 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338920 787705686 /nfs/dbraw/zinc/70/56/86/787705686.db2.gz RTAJDPVLJOFNCE-LLVKDONJSA-N 1 0 335.412 -1.551 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338921 787706852 /nfs/dbraw/zinc/70/68/52/787706852.db2.gz RTAJDPVLJOFNCE-NSHDSACASA-N 1 0 335.412 -1.551 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)c1=O ZINC001094487542 787710605 /nfs/dbraw/zinc/71/06/05/787710605.db2.gz ZLDUPHBWESLKET-BDJLRTHQSA-N 1 0 349.391 -1.054 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC001094510878 787711377 /nfs/dbraw/zinc/71/13/77/787711377.db2.gz BKABGVBXIOFIOM-XSUJLISDSA-N 1 0 338.408 -1.135 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC001094527159 787710652 /nfs/dbraw/zinc/71/06/52/787710652.db2.gz SJCHTQPKJGABBH-FEUHOPSXSA-N 1 0 337.380 -1.569 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC001094535069 787711903 /nfs/dbraw/zinc/71/19/03/787711903.db2.gz YNZFZVJOJVZPRW-BDJLRTHQSA-N 1 0 336.392 -1.115 20 0 EAADRO Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)c(=O)[nH]c1=O ZINC001094575758 787712582 /nfs/dbraw/zinc/71/25/82/787712582.db2.gz DUGVKXQSDNZVJJ-BDJLRTHQSA-N 1 0 349.391 -1.054 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC001094580983 787712704 /nfs/dbraw/zinc/71/27/04/787712704.db2.gz MSMXSPPEDRZAEU-JTNHKYCSSA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC001094580986 787712707 /nfs/dbraw/zinc/71/27/07/787712707.db2.gz MSMXSPPEDRZAEU-MISXGVKJSA-N 1 0 344.437 -1.476 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCO)CC3)nn1 ZINC001094584810 787714163 /nfs/dbraw/zinc/71/41/63/787714163.db2.gz GDFQCXVSRRDIRG-IUODEOHRSA-N 1 0 336.396 -1.270 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)nn1 ZINC001094585376 787713926 /nfs/dbraw/zinc/71/39/26/787713926.db2.gz UMMQNPGDCPJZJS-IAQYHMDHSA-N 1 0 349.395 -1.777 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CCN(CCO)[C@H]3CS(=O)(=O)C[C@H]32)CC[N@@H+]1C ZINC001094634959 787717792 /nfs/dbraw/zinc/71/77/92/787717792.db2.gz LCBMQLWXISGMOI-YIYPIFLZSA-N 1 0 345.465 -1.371 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(CCO)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094674350 787724034 /nfs/dbraw/zinc/72/40/34/787724034.db2.gz JJULPIHKKDKNAQ-HZSPNIEDSA-N 1 0 345.465 -1.370 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(CCO)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094674351 787723734 /nfs/dbraw/zinc/72/37/34/787723734.db2.gz JJULPIHKKDKNAQ-MELADBBJSA-N 1 0 345.465 -1.370 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CCO)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094680237 787736263 /nfs/dbraw/zinc/73/62/63/787736263.db2.gz GWDVVGBPSJPNOZ-FRRDWIJNSA-N 1 0 331.438 -1.760 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(CCO)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094680238 787736139 /nfs/dbraw/zinc/73/61/39/787736139.db2.gz GWDVVGBPSJPNOZ-RWMBFGLXSA-N 1 0 331.438 -1.760 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CCCO)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094680375 787736683 /nfs/dbraw/zinc/73/66/83/787736683.db2.gz NNKBSWASWQXANM-HZSPNIEDSA-N 1 0 345.465 -1.370 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(CCCO)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094680376 787735633 /nfs/dbraw/zinc/73/56/33/787735633.db2.gz NNKBSWASWQXANM-MELADBBJSA-N 1 0 345.465 -1.370 20 0 EAADRO COCCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094680442 787737528 /nfs/dbraw/zinc/73/75/28/787737528.db2.gz RJNHQFXFYPUKSH-HZSPNIEDSA-N 1 0 345.465 -1.106 20 0 EAADRO COCCN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094680443 787737028 /nfs/dbraw/zinc/73/70/28/787737028.db2.gz RJNHQFXFYPUKSH-MELADBBJSA-N 1 0 345.465 -1.106 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CC(N)=O)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094680596 787737928 /nfs/dbraw/zinc/73/79/28/787737928.db2.gz ZSBJEWMIMRHTSI-GRYCIOLGSA-N 1 0 344.437 -2.267 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(CC(N)=O)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094680597 787737409 /nfs/dbraw/zinc/73/74/09/787737409.db2.gz ZSBJEWMIMRHTSI-SDDRHHMPSA-N 1 0 344.437 -2.267 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1 ZINC001094700029 787740885 /nfs/dbraw/zinc/74/08/85/787740885.db2.gz BLKCUAGIJOCHBR-GFCCVEGCSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1 ZINC001094700030 787741588 /nfs/dbraw/zinc/74/15/88/787741588.db2.gz BLKCUAGIJOCHBR-LBPRGKRZSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094700739 787740858 /nfs/dbraw/zinc/74/08/58/787740858.db2.gz GGVAQXODQNFTHZ-NEPJUHHUSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094700740 787741662 /nfs/dbraw/zinc/74/16/62/787741662.db2.gz GGVAQXODQNFTHZ-NWDGAFQWSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094700741 787741243 /nfs/dbraw/zinc/74/12/43/787741243.db2.gz GGVAQXODQNFTHZ-RYUDHWBXSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094700742 787741140 /nfs/dbraw/zinc/74/11/40/787741140.db2.gz GGVAQXODQNFTHZ-VXGBXAGGSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1 ZINC001094700797 787741190 /nfs/dbraw/zinc/74/11/90/787741190.db2.gz HQMJWAYGEJFFGV-GFCCVEGCSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1 ZINC001094700798 787741520 /nfs/dbraw/zinc/74/15/20/787741520.db2.gz HQMJWAYGEJFFGV-LBPRGKRZSA-N 1 0 333.396 -1.126 20 0 EAADRO CNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713671 787732420 /nfs/dbraw/zinc/73/24/20/787732420.db2.gz DYNBTOIRVAPUET-AAEUAGOBSA-N 1 0 337.424 -1.772 20 0 EAADRO CNC(=O)CN1CC(N2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713672 787732085 /nfs/dbraw/zinc/73/20/85/787732085.db2.gz DYNBTOIRVAPUET-DGCLKSJQSA-N 1 0 337.424 -1.772 20 0 EAADRO CNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713673 787732330 /nfs/dbraw/zinc/73/23/30/787732330.db2.gz DYNBTOIRVAPUET-WCQYABFASA-N 1 0 337.424 -1.772 20 0 EAADRO CNC(=O)CN1CC(N2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713674 787732553 /nfs/dbraw/zinc/73/25/53/787732553.db2.gz DYNBTOIRVAPUET-YPMHNXCESA-N 1 0 337.424 -1.772 20 0 EAADRO O=C(CN1CN=NC1=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094727910 787747468 /nfs/dbraw/zinc/74/74/68/787747468.db2.gz REPHALWEBQCMQY-LLVKDONJSA-N 1 0 334.380 -1.205 20 0 EAADRO O=C(CN1CN=NC1=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094727911 787747959 /nfs/dbraw/zinc/74/79/59/787747959.db2.gz REPHALWEBQCMQY-NSHDSACASA-N 1 0 334.380 -1.205 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](C[C@H]4CCOC4)C3)C2)nn1 ZINC001094730101 787749009 /nfs/dbraw/zinc/74/90/09/787749009.db2.gz RQSFYSVUIQBNJH-NEPJUHHUSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](C[C@@H]4CCOC4)C3)C2)nn1 ZINC001094730102 787749134 /nfs/dbraw/zinc/74/91/34/787749134.db2.gz RQSFYSVUIQBNJH-NWDGAFQWSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](C[C@@H]4CCOC4)C3)C2)nn1 ZINC001094730103 787748736 /nfs/dbraw/zinc/74/87/36/787748736.db2.gz RQSFYSVUIQBNJH-RYUDHWBXSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](C[C@H]4CCOC4)C3)C2)nn1 ZINC001094730104 787749159 /nfs/dbraw/zinc/74/91/59/787749159.db2.gz RQSFYSVUIQBNJH-VXGBXAGGSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094734432 787751672 /nfs/dbraw/zinc/75/16/72/787751672.db2.gz ZCKACQHQXXSVGA-NEPJUHHUSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094734433 787752131 /nfs/dbraw/zinc/75/21/31/787752131.db2.gz ZCKACQHQXXSVGA-NWDGAFQWSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094734434 787751738 /nfs/dbraw/zinc/75/17/38/787751738.db2.gz ZCKACQHQXXSVGA-RYUDHWBXSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094734435 787751293 /nfs/dbraw/zinc/75/12/93/787751293.db2.gz ZCKACQHQXXSVGA-VXGBXAGGSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](C[C@H]4CCOC4)C3)C2)n1 ZINC001094735527 787753299 /nfs/dbraw/zinc/75/32/99/787753299.db2.gz QPWULTRISIGXDG-NEPJUHHUSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](C[C@@H]4CCOC4)C3)C2)n1 ZINC001094735528 787752987 /nfs/dbraw/zinc/75/29/87/787752987.db2.gz QPWULTRISIGXDG-NWDGAFQWSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](C[C@@H]4CCOC4)C3)C2)n1 ZINC001094735529 787752903 /nfs/dbraw/zinc/75/29/03/787752903.db2.gz QPWULTRISIGXDG-RYUDHWBXSA-N 1 0 348.407 -1.134 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](C[C@H]4CCOC4)C3)C2)n1 ZINC001094735530 787753170 /nfs/dbraw/zinc/75/31/70/787753170.db2.gz QPWULTRISIGXDG-VXGBXAGGSA-N 1 0 348.407 -1.134 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1 ZINC001094735581 787753022 /nfs/dbraw/zinc/75/30/22/787753022.db2.gz AYCXRYLUWNPKGW-GFCCVEGCSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1 ZINC001094735582 787753202 /nfs/dbraw/zinc/75/32/02/787753202.db2.gz AYCXRYLUWNPKGW-LBPRGKRZSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1 ZINC001094736435 787754064 /nfs/dbraw/zinc/75/40/64/787754064.db2.gz IJCZYYWMHXLKDN-GFCCVEGCSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1 ZINC001094736436 787754041 /nfs/dbraw/zinc/75/40/41/787754041.db2.gz IJCZYYWMHXLKDN-LBPRGKRZSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(N[C@H]1CC(=O)N(C2CN(CCO)C2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001094736457 787753984 /nfs/dbraw/zinc/75/39/84/787753984.db2.gz IVKHSEBQOOJGJB-DZGCQCFKSA-N 1 0 336.436 -1.278 20 0 EAADRO O=C(N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001094736458 787754408 /nfs/dbraw/zinc/75/44/08/787754408.db2.gz IVKHSEBQOOJGJB-HIFRSBDPSA-N 1 0 336.436 -1.278 20 0 EAADRO O=C(N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001094736459 787754785 /nfs/dbraw/zinc/75/47/85/787754785.db2.gz IVKHSEBQOOJGJB-UKRRQHHQSA-N 1 0 336.436 -1.278 20 0 EAADRO O=C(N[C@H]1CC(=O)N(C2CN(CCO)C2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001094736460 787754333 /nfs/dbraw/zinc/75/43/33/787754333.db2.gz IVKHSEBQOOJGJB-ZFWWWQNUSA-N 1 0 336.436 -1.278 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094736969 787754248 /nfs/dbraw/zinc/75/42/48/787754248.db2.gz PWHXTNXTRSYJTK-NEPJUHHUSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094736970 787754022 /nfs/dbraw/zinc/75/40/22/787754022.db2.gz PWHXTNXTRSYJTK-NWDGAFQWSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094736971 787753933 /nfs/dbraw/zinc/75/39/33/787753933.db2.gz PWHXTNXTRSYJTK-RYUDHWBXSA-N 1 0 349.395 -1.889 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094736972 787754596 /nfs/dbraw/zinc/75/45/96/787754596.db2.gz PWHXTNXTRSYJTK-VXGBXAGGSA-N 1 0 349.395 -1.889 20 0 EAADRO NC(=O)CN1CC(N2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2=O)C1 ZINC001094736991 787754196 /nfs/dbraw/zinc/75/41/96/787754196.db2.gz QBFMQSHUPRGTGY-GXTWGEPZSA-N 1 0 349.435 -1.785 20 0 EAADRO NC(=O)CN1CC(N2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2=O)C1 ZINC001094736992 787754236 /nfs/dbraw/zinc/75/42/36/787754236.db2.gz QBFMQSHUPRGTGY-JSGCOSHPSA-N 1 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O=C(N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1)C1CS(=O)(=O)C1 ZINC001094740790 787755339 /nfs/dbraw/zinc/75/53/39/787755339.db2.gz UCRSJISHPVCUFR-LBPRGKRZSA-N 1 0 341.433 -1.158 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094742001 787757537 /nfs/dbraw/zinc/75/75/37/787757537.db2.gz MJHONOKCWRZVBG-CHWSQXEVSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094742003 787757061 /nfs/dbraw/zinc/75/70/61/787757061.db2.gz MJHONOKCWRZVBG-OLZOCXBDSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094742004 787757443 /nfs/dbraw/zinc/75/74/43/787757443.db2.gz MJHONOKCWRZVBG-QWHCGFSZSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094742006 787757476 /nfs/dbraw/zinc/75/74/76/787757476.db2.gz MJHONOKCWRZVBG-STQMWFEESA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094745974 787760043 /nfs/dbraw/zinc/76/00/43/787760043.db2.gz PIFQWAKUIXRWNS-JQWIXIFHSA-N 1 0 349.391 -1.604 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094745975 787759812 /nfs/dbraw/zinc/75/98/12/787759812.db2.gz PIFQWAKUIXRWNS-PWSUYJOCSA-N 1 0 349.391 -1.604 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094750379 787763470 /nfs/dbraw/zinc/76/34/70/787763470.db2.gz FZBOCHWRZIHRSH-AAEUAGOBSA-N 1 0 337.424 -1.643 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094750381 787762447 /nfs/dbraw/zinc/76/24/47/787762447.db2.gz FZBOCHWRZIHRSH-DGCLKSJQSA-N 1 0 337.424 -1.643 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094750384 787762587 /nfs/dbraw/zinc/76/25/87/787762587.db2.gz FZBOCHWRZIHRSH-WCQYABFASA-N 1 0 337.424 -1.643 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094750386 787762960 /nfs/dbraw/zinc/76/29/60/787762960.db2.gz FZBOCHWRZIHRSH-YPMHNXCESA-N 1 0 337.424 -1.643 20 0 EAADRO NC(=O)CN1CC(N2C[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2=O)C1 ZINC001094753347 787764457 /nfs/dbraw/zinc/76/44/57/787764457.db2.gz IJWMWJNTZGUZSA-GFCCVEGCSA-N 1 0 349.435 -1.499 20 0 EAADRO NC(=O)CN1CC(N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)CC2=O)C1 ZINC001094753348 787764292 /nfs/dbraw/zinc/76/42/92/787764292.db2.gz IJWMWJNTZGUZSA-LBPRGKRZSA-N 1 0 349.435 -1.499 20 0 EAADRO O=C(N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1)c1cn[nH]n1 ZINC001094756903 787767788 /nfs/dbraw/zinc/76/77/88/787767788.db2.gz MQVSYKKKKGAQMM-GHMZBOCLSA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1)c1cn[nH]n1 ZINC001094756904 787767348 /nfs/dbraw/zinc/76/73/48/787767348.db2.gz MQVSYKKKKGAQMM-MNOVXSKESA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1)c1cn[nH]n1 ZINC001094756905 787767636 /nfs/dbraw/zinc/76/76/36/787767636.db2.gz MQVSYKKKKGAQMM-QWRGUYRKSA-N 1 0 334.380 -1.144 20 0 EAADRO O=C(N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1)c1cn[nH]n1 ZINC001094756906 787767679 /nfs/dbraw/zinc/76/76/79/787767679.db2.gz MQVSYKKKKGAQMM-WDEREUQCSA-N 1 0 334.380 -1.144 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC4CC4)C3)C2)c1=O ZINC001094757311 787767649 /nfs/dbraw/zinc/76/76/49/787767649.db2.gz PUMVTMLZKGOTTK-GFCCVEGCSA-N 1 0 348.407 -1.607 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CC4CC4)C3)C2)c1=O ZINC001094757312 787767885 /nfs/dbraw/zinc/76/78/85/787767885.db2.gz PUMVTMLZKGOTTK-LBPRGKRZSA-N 1 0 348.407 -1.607 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC4CC4)C3)C2)NC1=O ZINC001094767549 787772068 /nfs/dbraw/zinc/77/20/68/787772068.db2.gz FSTBSDSFBCOKQL-AAEUAGOBSA-N 1 0 335.408 -1.179 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC4CC4)C3)C2)NC1=O ZINC001094767550 787771902 /nfs/dbraw/zinc/77/19/02/787771902.db2.gz FSTBSDSFBCOKQL-DGCLKSJQSA-N 1 0 335.408 -1.179 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC4CC4)C3)C2)NC1=O ZINC001094767551 787771758 /nfs/dbraw/zinc/77/17/58/787771758.db2.gz FSTBSDSFBCOKQL-WCQYABFASA-N 1 0 335.408 -1.179 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC4CC4)C3)C2)NC1=O ZINC001094767552 787771478 /nfs/dbraw/zinc/77/14/78/787771478.db2.gz FSTBSDSFBCOKQL-YPMHNXCESA-N 1 0 335.408 -1.179 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094767930 787773138 /nfs/dbraw/zinc/77/31/38/787773138.db2.gz LBZSHTGNRKOWII-CYBMUJFWSA-N 1 0 349.435 -1.771 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094767931 787773050 /nfs/dbraw/zinc/77/30/50/787773050.db2.gz LBZSHTGNRKOWII-ZDUSSCGKSA-N 1 0 349.435 -1.771 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](C[C@H]4CCOC4)C3)C2)n1 ZINC001094775089 787775349 /nfs/dbraw/zinc/77/53/49/787775349.db2.gz SDWQEORJEQXJEF-GHMZBOCLSA-N 1 0 349.395 -1.739 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](C[C@H]4CCOC4)C3)C2)n1 ZINC001094775090 787775759 /nfs/dbraw/zinc/77/57/59/787775759.db2.gz SDWQEORJEQXJEF-MNOVXSKESA-N 1 0 349.395 -1.739 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](C[C@@H]4CCOC4)C3)C2)n1 ZINC001094775091 787775024 /nfs/dbraw/zinc/77/50/24/787775024.db2.gz SDWQEORJEQXJEF-QWRGUYRKSA-N 1 0 349.395 -1.739 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](C[C@@H]4CCOC4)C3)C2)n1 ZINC001094775092 787775185 /nfs/dbraw/zinc/77/51/85/787775185.db2.gz SDWQEORJEQXJEF-WDEREUQCSA-N 1 0 349.395 -1.739 20 0 EAADRO O=C(N[C@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1)[C@@H]1CNC(=O)N1 ZINC001094776698 787776836 /nfs/dbraw/zinc/77/68/36/787776836.db2.gz CUIZLIQXHVZICK-AAEUAGOBSA-N 1 0 335.408 -1.131 20 0 EAADRO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1)[C@H]1CNC(=O)N1 ZINC001094776699 787776793 /nfs/dbraw/zinc/77/67/93/787776793.db2.gz CUIZLIQXHVZICK-DGCLKSJQSA-N 1 0 335.408 -1.131 20 0 EAADRO O=C(N[C@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1)[C@H]1CNC(=O)N1 ZINC001094776700 787776816 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787797847 /nfs/dbraw/zinc/79/78/47/787797847.db2.gz VOXGBRAKSICYJS-CYBMUJFWSA-N 1 0 336.436 -1.134 20 0 EAADRO O=C(N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001094806628 787798061 /nfs/dbraw/zinc/79/80/61/787798061.db2.gz VOXGBRAKSICYJS-ZDUSSCGKSA-N 1 0 336.436 -1.134 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094807676 787799849 /nfs/dbraw/zinc/79/98/49/787799849.db2.gz DMIFQJAIXQNJKB-NEPJUHHUSA-N 1 0 337.424 -1.785 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094807679 787799345 /nfs/dbraw/zinc/79/93/45/787799345.db2.gz DMIFQJAIXQNJKB-NWDGAFQWSA-N 1 0 337.424 -1.785 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094807681 787798893 /nfs/dbraw/zinc/79/88/93/787798893.db2.gz DMIFQJAIXQNJKB-RYUDHWBXSA-N 1 0 337.424 -1.785 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094807682 787799424 /nfs/dbraw/zinc/79/94/24/787799424.db2.gz DMIFQJAIXQNJKB-VXGBXAGGSA-N 1 0 337.424 -1.785 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094813431 787789827 /nfs/dbraw/zinc/78/98/27/787789827.db2.gz JOLJJNMAODSONE-CHWSQXEVSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001094813432 787789808 /nfs/dbraw/zinc/78/98/08/787789808.db2.gz JOLJJNMAODSONE-OLZOCXBDSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094813433 787790202 /nfs/dbraw/zinc/79/02/02/787790202.db2.gz JOLJJNMAODSONE-QWHCGFSZSA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001094813434 787789370 /nfs/dbraw/zinc/78/93/70/787789370.db2.gz JOLJJNMAODSONE-STQMWFEESA-N 1 0 348.407 -1.284 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094813957 787791370 /nfs/dbraw/zinc/79/13/70/787791370.db2.gz XFWUDJOSKPWVNT-LLVKDONJSA-N 1 0 349.391 -1.651 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094813958 787790940 /nfs/dbraw/zinc/79/09/40/787790940.db2.gz XFWUDJOSKPWVNT-NSHDSACASA-N 1 0 349.391 -1.651 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094814784 787791461 /nfs/dbraw/zinc/79/14/61/787791461.db2.gz IMRODYRPAVIYKM-GFCCVEGCSA-N 1 0 348.403 -1.053 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094814785 787791117 /nfs/dbraw/zinc/79/11/17/787791117.db2.gz IMRODYRPAVIYKM-LBPRGKRZSA-N 1 0 348.403 -1.053 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3CN(Cc4cnon4)C3)C2)C1 ZINC001094815488 787792135 /nfs/dbraw/zinc/79/21/35/787792135.db2.gz VEJQWJCLCMLVSM-NEPJUHHUSA-N 1 0 348.407 -1.077 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3CN(Cc4cnon4)C3)C2)C1 ZINC001094815489 787792446 /nfs/dbraw/zinc/79/24/46/787792446.db2.gz VEJQWJCLCMLVSM-NWDGAFQWSA-N 1 0 348.407 -1.077 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3CN(Cc4cnon4)C3)C2)C1 ZINC001094815490 787792456 /nfs/dbraw/zinc/79/24/56/787792456.db2.gz VEJQWJCLCMLVSM-RYUDHWBXSA-N 1 0 348.407 -1.077 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CN(Cc4cnon4)C3)C2)C1 ZINC001094815491 787791950 /nfs/dbraw/zinc/79/19/50/787791950.db2.gz VEJQWJCLCMLVSM-VXGBXAGGSA-N 1 0 348.407 -1.077 20 0 EAADRO CNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815522 787792508 /nfs/dbraw/zinc/79/25/08/787792508.db2.gz WEZVXNRQJJVNQK-NEPJUHHUSA-N 1 0 337.424 -1.915 20 0 EAADRO CNC(=O)CN1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815523 787792473 /nfs/dbraw/zinc/79/24/73/787792473.db2.gz WEZVXNRQJJVNQK-NWDGAFQWSA-N 1 0 337.424 -1.915 20 0 EAADRO CNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815524 787792398 /nfs/dbraw/zinc/79/23/98/787792398.db2.gz WEZVXNRQJJVNQK-RYUDHWBXSA-N 1 0 337.424 -1.915 20 0 EAADRO CNC(=O)CN1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815525 787791841 /nfs/dbraw/zinc/79/18/41/787791841.db2.gz WEZVXNRQJJVNQK-VXGBXAGGSA-N 1 0 337.424 -1.915 20 0 EAADRO C[C@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817153 787793789 /nfs/dbraw/zinc/79/37/89/787793789.db2.gz KHDZWFSDZIBNKR-NEPJUHHUSA-N 1 0 337.424 -1.643 20 0 EAADRO C[C@@H](C(N)=O)N1CC(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817154 787793744 /nfs/dbraw/zinc/79/37/44/787793744.db2.gz KHDZWFSDZIBNKR-NWDGAFQWSA-N 1 0 337.424 -1.643 20 0 EAADRO C[C@@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817155 787793909 /nfs/dbraw/zinc/79/39/09/787793909.db2.gz KHDZWFSDZIBNKR-RYUDHWBXSA-N 1 0 337.424 -1.643 20 0 EAADRO C[C@H](C(N)=O)N1CC(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817156 787793818 /nfs/dbraw/zinc/79/38/18/787793818.db2.gz KHDZWFSDZIBNKR-VXGBXAGGSA-N 1 0 337.424 -1.643 20 0 EAADRO CNC(=O)CN1CC(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817435 787793114 /nfs/dbraw/zinc/79/31/14/787793114.db2.gz MGHWBWXSFZTSFS-GFCCVEGCSA-N 1 0 337.424 -1.771 20 0 EAADRO CNC(=O)CN1CC(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817436 787793173 /nfs/dbraw/zinc/79/31/73/787793173.db2.gz MGHWBWXSFZTSFS-LBPRGKRZSA-N 1 0 337.424 -1.771 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CC(=O)N(C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001094818237 787793301 /nfs/dbraw/zinc/79/33/01/787793301.db2.gz ZPILCNVSYLKATF-GXTWGEPZSA-N 1 0 349.435 -1.628 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@H]1CC(=O)N(C2CN([C@H]3CCNC3=O)C2)C1 ZINC001094818238 787793671 /nfs/dbraw/zinc/79/36/71/787793671.db2.gz ZPILCNVSYLKATF-JSGCOSHPSA-N 1 0 349.435 -1.628 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CC(=O)N(C2CN([C@H]3CCNC3=O)C2)C1 ZINC001094818239 787793920 /nfs/dbraw/zinc/79/39/20/787793920.db2.gz ZPILCNVSYLKATF-OCCSQVGLSA-N 1 0 349.435 -1.628 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CC(=O)N(C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001094818240 787793079 /nfs/dbraw/zinc/79/30/79/787793079.db2.gz ZPILCNVSYLKATF-TZMCWYRMSA-N 1 0 349.435 -1.628 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094825972 787803018 /nfs/dbraw/zinc/80/30/18/787803018.db2.gz XLOLIDLXQVHHBD-NEPJUHHUSA-N 1 0 348.403 -1.150 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094825974 787803384 /nfs/dbraw/zinc/80/33/84/787803384.db2.gz XLOLIDLXQVHHBD-NWDGAFQWSA-N 1 0 348.403 -1.150 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094825977 787802306 /nfs/dbraw/zinc/80/23/06/787802306.db2.gz XLOLIDLXQVHHBD-RYUDHWBXSA-N 1 0 348.403 -1.150 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094825978 787803198 /nfs/dbraw/zinc/80/31/98/787803198.db2.gz XLOLIDLXQVHHBD-VXGBXAGGSA-N 1 0 348.403 -1.150 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cnnn2)C3)nc1=O ZINC001094854336 787807252 /nfs/dbraw/zinc/80/72/52/787807252.db2.gz DLEFASFBBSAOLB-AXFHLTTASA-N 1 0 347.383 -1.736 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cnnn2)C3)nc1=O ZINC001094854337 787807354 /nfs/dbraw/zinc/80/73/54/787807354.db2.gz DLEFASFBBSAOLB-DCAQKATOSA-N 1 0 347.383 -1.736 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2)N1CCC1 ZINC001094854414 787807420 /nfs/dbraw/zinc/80/74/20/787807420.db2.gz GHCHSFPDYUXUGL-AVGNSLFASA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2)N1CCC1 ZINC001094854415 787807154 /nfs/dbraw/zinc/80/71/54/787807154.db2.gz GHCHSFPDYUXUGL-XQQFMLRXSA-N 1 0 333.396 -1.126 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094854942 787808267 /nfs/dbraw/zinc/80/82/67/787808267.db2.gz KWVDFZNACKENEK-AXFHLTTASA-N 1 0 332.372 -1.634 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094854943 787808394 /nfs/dbraw/zinc/80/83/94/787808394.db2.gz KWVDFZNACKENEK-DCAQKATOSA-N 1 0 332.372 -1.634 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094855230 787807737 /nfs/dbraw/zinc/80/77/37/787807737.db2.gz PPZNATVSGZXVIG-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094855231 787808612 /nfs/dbraw/zinc/80/86/12/787808612.db2.gz PPZNATVSGZXVIG-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cnnn2)C3)nn1 ZINC001094855246 787808586 /nfs/dbraw/zinc/80/85/86/787808586.db2.gz QGGNZDNLYPRXTN-GVXVVHGQSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cnnn2)C3)nn1 ZINC001094855247 787808670 /nfs/dbraw/zinc/80/86/70/787808670.db2.gz QGGNZDNLYPRXTN-LOWVWBTDSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094855265 787807644 /nfs/dbraw/zinc/80/76/44/787807644.db2.gz QJPJGSLCAZMXEN-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094855268 787808344 /nfs/dbraw/zinc/80/83/44/787808344.db2.gz QJPJGSLCAZMXEN-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cnnn2)C3)n1 ZINC001094855472 787808057 /nfs/dbraw/zinc/80/80/57/787808057.db2.gz RVIUCBQFRXFNFW-GVXVVHGQSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cnnn2)C3)n1 ZINC001094855473 787808497 /nfs/dbraw/zinc/80/84/97/787808497.db2.gz RVIUCBQFRXFNFW-LOWVWBTDSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094855518 787808333 /nfs/dbraw/zinc/80/83/33/787808333.db2.gz UGNHJHMBKKOPJQ-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC001094855519 787807504 /nfs/dbraw/zinc/80/75/04/787807504.db2.gz UGNHJHMBKKOPJQ-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[C@@H]([NH2+]CCN1CCNC1=O)C2 ZINC001094855755 787807516 /nfs/dbraw/zinc/80/75/16/787807516.db2.gz YMDQCPQDWBDMKX-AVGNSLFASA-N 1 0 348.411 -1.333 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[C@H]([NH2+]CCN1CCNC1=O)C2 ZINC001094855756 787807435 /nfs/dbraw/zinc/80/74/35/787807435.db2.gz YMDQCPQDWBDMKX-XQQFMLRXSA-N 1 0 348.411 -1.333 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CN=NC1=O)C2 ZINC001094901660 787810768 /nfs/dbraw/zinc/81/07/68/787810768.db2.gz RIFBYVRKIDPWOP-AXFHLTTASA-N 1 0 347.383 -1.324 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CN=NC1=O)C2 ZINC001094901664 787810998 /nfs/dbraw/zinc/81/09/98/787810998.db2.gz RIFBYVRKIDPWOP-DCAQKATOSA-N 1 0 347.383 -1.324 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2ncnn2)C3)nc1=O ZINC001094920949 787811813 /nfs/dbraw/zinc/81/18/13/787811813.db2.gz JCKJBGFPGOHUHZ-AXFHLTTASA-N 1 0 347.383 -1.736 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2ncnn2)C3)nc1=O ZINC001094920950 787811859 /nfs/dbraw/zinc/81/18/59/787811859.db2.gz JCKJBGFPGOHUHZ-DCAQKATOSA-N 1 0 347.383 -1.736 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2)N1CCC1 ZINC001094921299 787811232 /nfs/dbraw/zinc/81/12/32/787811232.db2.gz NGQHTFLDQPCEED-AVGNSLFASA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2)N1CCC1 ZINC001094921300 787811764 /nfs/dbraw/zinc/81/17/64/787811764.db2.gz NGQHTFLDQPCEED-XQQFMLRXSA-N 1 0 333.396 -1.126 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094921700 787810800 /nfs/dbraw/zinc/81/08/00/787810800.db2.gz PRCIEOUEXAGMHY-AXFHLTTASA-N 1 0 332.372 -1.634 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094921701 787810414 /nfs/dbraw/zinc/81/04/14/787810414.db2.gz PRCIEOUEXAGMHY-DCAQKATOSA-N 1 0 332.372 -1.634 20 0 EAADRO Cn1cnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094921874 787812169 /nfs/dbraw/zinc/81/21/69/787812169.db2.gz SEFQJGISULATMV-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1cnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094921875 787811646 /nfs/dbraw/zinc/81/16/46/787811646.db2.gz SEFQJGISULATMV-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2ncnn2)C3)n1 ZINC001094922360 787811789 /nfs/dbraw/zinc/81/17/89/787811789.db2.gz BUBVIZQVPZTJBS-GVXVVHGQSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2ncnn2)C3)n1 ZINC001094922361 787812250 /nfs/dbraw/zinc/81/22/50/787812250.db2.gz BUBVIZQVPZTJBS-LOWVWBTDSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1nncc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094922745 787811385 /nfs/dbraw/zinc/81/13/85/787811385.db2.gz JUBWNDVEMNVOFB-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094922748 787811777 /nfs/dbraw/zinc/81/17/77/787811777.db2.gz JUBWNDVEMNVOFB-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[C@@H]([NH2+]CCN1CCNC1=O)C2 ZINC001094923039 787810401 /nfs/dbraw/zinc/81/04/01/787810401.db2.gz MELBOEZTZHOMNE-AVGNSLFASA-N 1 0 348.411 -1.333 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[C@H]([NH2+]CCN1CCNC1=O)C2 ZINC001094923040 787810698 /nfs/dbraw/zinc/81/06/98/787810698.db2.gz MELBOEZTZHOMNE-XQQFMLRXSA-N 1 0 348.411 -1.333 20 0 EAADRO Cn1ncnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094923588 787811363 /nfs/dbraw/zinc/81/13/63/787811363.db2.gz RJBLKBHEHLUPST-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1ncnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094923589 787811740 /nfs/dbraw/zinc/81/17/40/787811740.db2.gz RJBLKBHEHLUPST-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2ncnn2)C3)nn1 ZINC001094924132 787812291 /nfs/dbraw/zinc/81/22/91/787812291.db2.gz XYKMHTSQZXNPIJ-GVXVVHGQSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2ncnn2)C3)nn1 ZINC001094924135 787811837 /nfs/dbraw/zinc/81/18/37/787811837.db2.gz XYKMHTSQZXNPIJ-LOWVWBTDSA-N 1 0 331.384 -1.029 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001094924876 787812078 /nfs/dbraw/zinc/81/20/78/787812078.db2.gz QTQMWYJAPFFQMA-AEJSXWLSSA-N 1 0 335.368 -2.169 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001094924877 787811185 /nfs/dbraw/zinc/81/11/85/787811185.db2.gz QTQMWYJAPFFQMA-GUBZILKMSA-N 1 0 335.368 -2.169 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 ZINC001094929564 787813201 /nfs/dbraw/zinc/81/32/01/787813201.db2.gz AMCYIGGCNUZCRP-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 ZINC001094929565 787812572 /nfs/dbraw/zinc/81/25/72/787812572.db2.gz AMCYIGGCNUZCRP-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2nccn2)C3)nc1=O ZINC001094930405 787814287 /nfs/dbraw/zinc/81/42/87/787814287.db2.gz ZCIPCJXNJKPSCS-SRVKXCTJSA-N 1 0 346.395 -1.131 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2nccn2)C3)nc1=O ZINC001094930406 787814042 /nfs/dbraw/zinc/81/40/42/787814042.db2.gz ZCIPCJXNJKPSCS-TUAOUCFPSA-N 1 0 346.395 -1.131 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCCS1(=O)=O)C2 ZINC001094934173 787814582 /nfs/dbraw/zinc/81/45/82/787814582.db2.gz YNMMKJVPZUKSHK-SRVKXCTJSA-N 1 0 344.437 -1.524 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCCS1(=O)=O)C2 ZINC001094934174 787813364 /nfs/dbraw/zinc/81/33/64/787813364.db2.gz YNMMKJVPZUKSHK-TUAOUCFPSA-N 1 0 344.437 -1.524 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001094949921 787812797 /nfs/dbraw/zinc/81/27/97/787812797.db2.gz CGESZSMATIAYHO-DLOVCJGASA-N 1 0 329.422 -1.125 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001094949922 787814309 /nfs/dbraw/zinc/81/43/09/787814309.db2.gz CGESZSMATIAYHO-WCQGTBRESA-N 1 0 329.422 -1.125 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[C@H]([NH2+]CCN1C(=O)CNC1=O)C2 ZINC001094953641 787814597 /nfs/dbraw/zinc/81/45/97/787814597.db2.gz ORGZFEVEQNKRBG-AXFHLTTASA-N 1 0 347.379 -1.061 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[C@@H]([NH2+]CCN1C(=O)CNC1=O)C2 ZINC001094953642 787814147 /nfs/dbraw/zinc/81/41/47/787814147.db2.gz ORGZFEVEQNKRBG-DCAQKATOSA-N 1 0 347.379 -1.061 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001094957751 787812661 /nfs/dbraw/zinc/81/26/61/787812661.db2.gz FSJQIXLGAYUGKL-AXFHLTTASA-N 1 0 335.364 -1.597 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001094957752 787814410 /nfs/dbraw/zinc/81/44/10/787814410.db2.gz FSJQIXLGAYUGKL-DCAQKATOSA-N 1 0 335.364 -1.597 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001094958818 787814656 /nfs/dbraw/zinc/81/46/56/787814656.db2.gz XAJCTELOFQDXTE-SRVKXCTJSA-N 1 0 336.392 -1.020 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001094958819 787813374 /nfs/dbraw/zinc/81/33/74/787813374.db2.gz XAJCTELOFQDXTE-TUAOUCFPSA-N 1 0 336.392 -1.020 20 0 EAADRO Cn1c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)cc(=O)n(C)c1=O ZINC001094991773 787814756 /nfs/dbraw/zinc/81/47/56/787814756.db2.gz SKVAFWVSNINJAM-AXFHLTTASA-N 1 0 349.391 -1.962 20 0 EAADRO Cn1c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)cc(=O)n(C)c1=O ZINC001094991774 787814885 /nfs/dbraw/zinc/81/48/85/787814885.db2.gz SKVAFWVSNINJAM-DCAQKATOSA-N 1 0 349.391 -1.962 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2(C(N)=O)CC2)C3)nc1=O ZINC001094992206 787814927 /nfs/dbraw/zinc/81/49/27/787814927.db2.gz VWNMZNUHTOLBDU-AXFHLTTASA-N 1 0 348.407 -1.157 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2(C(N)=O)CC2)C3)nc1=O ZINC001094992209 787815096 /nfs/dbraw/zinc/81/50/96/787815096.db2.gz VWNMZNUHTOLBDU-DCAQKATOSA-N 1 0 348.407 -1.157 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 ZINC001094992281 787815577 /nfs/dbraw/zinc/81/55/77/787815577.db2.gz XCZZFQJOHUNPNN-AXFHLTTASA-N 1 0 333.396 -1.055 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 ZINC001094992282 787815855 /nfs/dbraw/zinc/81/58/55/787815855.db2.gz XCZZFQJOHUNPNN-DCAQKATOSA-N 1 0 333.396 -1.055 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH]c(=O)c1=O)C2 ZINC001095015536 787815533 /nfs/dbraw/zinc/81/55/33/787815533.db2.gz SXNOOTMZEIRKQH-SRVKXCTJSA-N 1 0 349.391 -1.619 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH]c(=O)c1=O)C2 ZINC001095015538 787815148 /nfs/dbraw/zinc/81/51/48/787815148.db2.gz SXNOOTMZEIRKQH-TUAOUCFPSA-N 1 0 349.391 -1.619 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[C@H]([NH2+]CCN1C(=O)CNC1=O)C2 ZINC001095018906 787815374 /nfs/dbraw/zinc/81/53/74/787815374.db2.gz IRPCBLLOJUDBGE-AXFHLTTASA-N 1 0 347.379 -1.061 20 0 EAADRO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[C@@H]([NH2+]CCN1C(=O)CNC1=O)C2 ZINC001095018909 787815274 /nfs/dbraw/zinc/81/52/74/787815274.db2.gz IRPCBLLOJUDBGE-DCAQKATOSA-N 1 0 347.379 -1.061 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC001095027165 787815127 /nfs/dbraw/zinc/81/51/27/787815127.db2.gz JJQXZFUNWYJZDJ-SRVKXCTJSA-N 1 0 346.399 -1.244 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC001095027166 787815026 /nfs/dbraw/zinc/81/50/26/787815026.db2.gz JJQXZFUNWYJZDJ-TUAOUCFPSA-N 1 0 346.399 -1.244 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001095034360 787815172 /nfs/dbraw/zinc/81/51/72/787815172.db2.gz OOFYEKLUCMNBNM-AXFHLTTASA-N 1 0 337.380 -1.617 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001095034361 787814952 /nfs/dbraw/zinc/81/49/52/787814952.db2.gz OOFYEKLUCMNBNM-DCAQKATOSA-N 1 0 337.380 -1.617 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cc2nnc[nH]2)C3)nc1=O ZINC001095035425 787815319 /nfs/dbraw/zinc/81/53/19/787815319.db2.gz GCPKUSXGFOKTLS-AXFHLTTASA-N 1 0 346.395 -1.062 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cc2nnc[nH]2)C3)nc1=O ZINC001095035428 787814861 /nfs/dbraw/zinc/81/48/61/787814861.db2.gz GCPKUSXGFOKTLS-DCAQKATOSA-N 1 0 346.395 -1.062 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001095037404 787815253 /nfs/dbraw/zinc/81/52/53/787815253.db2.gz PZCUULWMDXUWDG-AEJSXWLSSA-N 1 0 345.363 -1.514 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001095037406 787815738 /nfs/dbraw/zinc/81/57/38/787815738.db2.gz PZCUULWMDXUWDG-GUBZILKMSA-N 1 0 345.363 -1.514 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cncn2)C3)nc1=O ZINC001095050578 787817357 /nfs/dbraw/zinc/81/73/57/787817357.db2.gz LLXNJVAHHNRPNF-SRVKXCTJSA-N 1 0 346.395 -1.131 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cncn2)C3)nc1=O ZINC001095050580 787816801 /nfs/dbraw/zinc/81/68/01/787816801.db2.gz LLXNJVAHHNRPNF-TUAOUCFPSA-N 1 0 346.395 -1.131 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1C(N)=O)C2 ZINC001095051097 787816869 /nfs/dbraw/zinc/81/68/69/787816869.db2.gz UOBRSRZXWJLLKR-AEJSXWLSSA-N 1 0 332.364 -1.357 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1C(N)=O)C2 ZINC001095051098 787817282 /nfs/dbraw/zinc/81/72/82/787817282.db2.gz UOBRSRZXWJLLKR-GUBZILKMSA-N 1 0 332.364 -1.357 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 ZINC001095051406 787816988 /nfs/dbraw/zinc/81/69/88/787816988.db2.gz ZKALYAHOSKZBEL-SRVKXCTJSA-N 1 0 331.384 -1.029 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 ZINC001095051407 787817172 /nfs/dbraw/zinc/81/71/72/787817172.db2.gz ZKALYAHOSKZBEL-TUAOUCFPSA-N 1 0 331.384 -1.029 20 0 EAADRO 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/nfs/dbraw/zinc/23/13/23/785231323.db2.gz KPIFOPMDYWAOAP-UHFFFAOYSA-N 1 0 349.391 -1.435 20 0 EAADRO NC(=O)CCCC(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098582275 785232214 /nfs/dbraw/zinc/23/22/14/785232214.db2.gz OAAZMYHPFZEGBK-UHFFFAOYSA-N 1 0 345.440 -1.064 20 0 EAADRO COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001098582296 785231412 /nfs/dbraw/zinc/23/14/12/785231412.db2.gz ONYURHFKMQKASP-AWEZNQCLSA-N 1 0 345.440 -1.065 20 0 EAADRO COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001098582299 785232187 /nfs/dbraw/zinc/23/21/87/785232187.db2.gz ONYURHFKMQKASP-CQSZACIVSA-N 1 0 345.440 -1.065 20 0 EAADRO CCn1nc(C)c(C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)n1 ZINC001098583731 785240274 /nfs/dbraw/zinc/24/02/74/785240274.db2.gz BPSGVPIVIOEMIP-UHFFFAOYSA-N 1 0 338.412 -1.009 20 0 EAADRO NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001098583933 785240067 /nfs/dbraw/zinc/24/00/67/785240067.db2.gz GFBBAAZGXTVLPU-LBPRGKRZSA-N 1 0 341.412 -1.700 20 0 EAADRO NC(=O)C[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001098584006 785240699 /nfs/dbraw/zinc/24/06/99/785240699.db2.gz KAUNAYBDZZRXPS-UHFFFAOYSA-N 1 0 349.391 -1.435 20 0 EAADRO NC(=O)C[N@H+](CCO)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC001098584195 785239916 /nfs/dbraw/zinc/23/99/16/785239916.db2.gz NSDBEXPEIMUKHE-AWEZNQCLSA-N 1 0 343.424 -1.047 20 0 EAADRO NC(=O)C[N@H+](CCO)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 ZINC001098584196 785240557 /nfs/dbraw/zinc/24/05/57/785240557.db2.gz NSDBEXPEIMUKHE-CQSZACIVSA-N 1 0 343.424 -1.047 20 0 EAADRO Cn1cc(CCC(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)nn1 ZINC001098584466 785240159 /nfs/dbraw/zinc/24/01/59/785240159.db2.gz XKZXJVPMIPNHQX-UHFFFAOYSA-N 1 0 338.412 -1.482 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098584483 785239783 /nfs/dbraw/zinc/23/97/83/785239783.db2.gz YGQVKHGPUVAUAU-ZDUSSCGKSA-N 1 0 328.413 -1.193 20 0 EAADRO C[C@@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)N1CCOCC1 ZINC001098586508 785242082 /nfs/dbraw/zinc/24/20/82/785242082.db2.gz HEJSSLYFHRWSFD-ZDUSSCGKSA-N 1 0 342.440 -1.522 20 0 EAADRO C[C@@H](C(=O)N1CCC([NH+](CCO)CCO)CC1)N1CCOCC1 ZINC001098587110 785243394 /nfs/dbraw/zinc/24/33/94/785243394.db2.gz UTNQLAXOAFRNBP-AWEZNQCLSA-N 1 0 329.441 -1.015 20 0 EAADRO NC(=O)C[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 ZINC001098588054 792042194 /nfs/dbraw/zinc/04/21/94/792042194.db2.gz DDUHIEZUDKAEHW-UHFFFAOYSA-N 1 0 349.391 -1.435 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098588601 785244400 /nfs/dbraw/zinc/24/44/00/785244400.db2.gz MWJGEJWTWKLNAW-LLVKDONJSA-N 1 0 327.381 -1.683 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098588602 785244355 /nfs/dbraw/zinc/24/43/55/785244355.db2.gz MWJGEJWTWKLNAW-NSHDSACASA-N 1 0 327.381 -1.683 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098589158 785244536 /nfs/dbraw/zinc/24/45/36/785244536.db2.gz SNFQYOHQZIDDOO-GFCCVEGCSA-N 1 0 341.408 -1.293 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098589159 785244196 /nfs/dbraw/zinc/24/41/96/785244196.db2.gz SNFQYOHQZIDDOO-LBPRGKRZSA-N 1 0 341.408 -1.293 20 0 EAADRO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001098589236 785244018 /nfs/dbraw/zinc/24/40/18/785244018.db2.gz UJPXSIWAHMCUFO-NEPJUHHUSA-N 1 0 341.408 -1.295 20 0 EAADRO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001098589243 785244061 /nfs/dbraw/zinc/24/40/61/785244061.db2.gz UJPXSIWAHMCUFO-NWDGAFQWSA-N 1 0 341.408 -1.295 20 0 EAADRO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001098589252 785244154 /nfs/dbraw/zinc/24/41/54/785244154.db2.gz UJPXSIWAHMCUFO-RYUDHWBXSA-N 1 0 341.408 -1.295 20 0 EAADRO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001098589257 785244670 /nfs/dbraw/zinc/24/46/70/785244670.db2.gz UJPXSIWAHMCUFO-VXGBXAGGSA-N 1 0 341.408 -1.295 20 0 EAADRO NC(=O)C[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001098589462 785246101 /nfs/dbraw/zinc/24/61/01/785246101.db2.gz WCFHLJXCARMIFR-JTQLQIEISA-N 1 0 340.380 -2.190 20 0 EAADRO NC(=O)C[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001098589463 785246626 /nfs/dbraw/zinc/24/66/26/785246626.db2.gz WCFHLJXCARMIFR-SNVBAGLBSA-N 1 0 340.380 -2.190 20 0 EAADRO COCC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001098589684 785245353 /nfs/dbraw/zinc/24/53/53/785245353.db2.gz YISTYHJVIPUXFX-GFCCVEGCSA-N 1 0 341.408 -1.029 20 0 EAADRO COCC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001098589688 785246221 /nfs/dbraw/zinc/24/62/21/785246221.db2.gz YISTYHJVIPUXFX-LBPRGKRZSA-N 1 0 341.408 -1.029 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098608064 785285389 /nfs/dbraw/zinc/28/53/89/785285389.db2.gz LSUBQPLKCJCJIG-GFCCVEGCSA-N 1 0 335.372 -1.790 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098608065 785285967 /nfs/dbraw/zinc/28/59/67/785285967.db2.gz LSUBQPLKCJCJIG-LBPRGKRZSA-N 1 0 335.372 -1.790 20 0 EAADRO COCCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 ZINC001098608154 792043300 /nfs/dbraw/zinc/04/33/00/792043300.db2.gz OLMZPAFLPXNHSK-GFCCVEGCSA-N 1 0 339.400 -1.154 20 0 EAADRO COCCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(N)=O)C2)nn1 ZINC001098608155 792045383 /nfs/dbraw/zinc/04/53/83/792045383.db2.gz OLMZPAFLPXNHSK-LBPRGKRZSA-N 1 0 339.400 -1.154 20 0 EAADRO COCCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608314 785285514 /nfs/dbraw/zinc/28/55/14/785285514.db2.gz SNTYUQYMUQJYSW-CYBMUJFWSA-N 1 0 349.399 -1.136 20 0 EAADRO COCCC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608315 785286034 /nfs/dbraw/zinc/28/60/34/785286034.db2.gz SNTYUQYMUQJYSW-ZDUSSCGKSA-N 1 0 349.399 -1.136 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608332 785286348 /nfs/dbraw/zinc/28/63/48/785286348.db2.gz SZULWZZQFPGSIA-CMPLNLGQSA-N 1 0 335.372 -1.791 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608333 785286297 /nfs/dbraw/zinc/28/62/97/785286297.db2.gz SZULWZZQFPGSIA-JQWIXIFHSA-N 1 0 335.372 -1.791 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608334 785286467 /nfs/dbraw/zinc/28/64/67/785286467.db2.gz SZULWZZQFPGSIA-PWSUYJOCSA-N 1 0 335.372 -1.791 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608335 785286502 /nfs/dbraw/zinc/28/65/02/785286502.db2.gz SZULWZZQFPGSIA-ZYHUDNBSSA-N 1 0 335.372 -1.791 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098608460 785286340 /nfs/dbraw/zinc/28/63/40/785286340.db2.gz XPXBVQUALHRQFA-LLVKDONJSA-N 1 0 325.373 -1.808 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098608461 785286534 /nfs/dbraw/zinc/28/65/34/785286534.db2.gz XPXBVQUALHRQFA-NSHDSACASA-N 1 0 325.373 -1.808 20 0 EAADRO COC[C@H](C)NCc1cn([C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 ZINC001098615132 785291774 /nfs/dbraw/zinc/29/17/74/785291774.db2.gz KSQBWBITQGVOTL-CMPLNLGQSA-N 1 0 339.400 -1.156 20 0 EAADRO COC[C@H](C)NCc1cn([C@H]2CCN(C(=O)CNC(N)=O)C2)nn1 ZINC001098615133 785291593 /nfs/dbraw/zinc/29/15/93/785291593.db2.gz KSQBWBITQGVOTL-JQWIXIFHSA-N 1 0 339.400 -1.156 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC2(CCN(CC(N)=O)CC2)O1 ZINC001098619952 785316974 /nfs/dbraw/zinc/31/69/74/785316974.db2.gz QJUPEDOJKJSISY-NEPJUHHUSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CC2(CCN(CC(N)=O)CC2)O1 ZINC001098619953 785316437 /nfs/dbraw/zinc/31/64/37/785316437.db2.gz QJUPEDOJKJSISY-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CC2(CCN(CC(N)=O)CC2)O1 ZINC001098619954 785316237 /nfs/dbraw/zinc/31/62/37/785316237.db2.gz QJUPEDOJKJSISY-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC2(CCN(CC(N)=O)CC2)O1 ZINC001098619955 785316776 /nfs/dbraw/zinc/31/67/76/785316776.db2.gz QJUPEDOJKJSISY-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO O=C([C@@H]1COCCO1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098622662 785344239 /nfs/dbraw/zinc/34/42/39/785344239.db2.gz NCCYWFRAXFMCKZ-KBPBESRZSA-N 1 0 339.396 -1.061 20 0 EAADRO O=C([C@@H]1COCCO1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098622663 785344157 /nfs/dbraw/zinc/34/41/57/785344157.db2.gz NCCYWFRAXFMCKZ-KGLIPLIRSA-N 1 0 339.396 -1.061 20 0 EAADRO O=C([C@H]1COCCO1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098622664 785345107 /nfs/dbraw/zinc/34/51/07/785345107.db2.gz NCCYWFRAXFMCKZ-UONOGXRCSA-N 1 0 339.396 -1.061 20 0 EAADRO O=C([C@H]1COCCO1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098622665 785344294 /nfs/dbraw/zinc/34/42/94/785344294.db2.gz NCCYWFRAXFMCKZ-ZIAGYGMSSA-N 1 0 339.396 -1.061 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098626458 785365006 /nfs/dbraw/zinc/36/50/06/785365006.db2.gz RNKSAGZGCBVVEX-CMPLNLGQSA-N 1 0 340.384 -1.122 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098626459 785364783 /nfs/dbraw/zinc/36/47/83/785364783.db2.gz RNKSAGZGCBVVEX-JQWIXIFHSA-N 1 0 340.384 -1.122 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098626460 785364793 /nfs/dbraw/zinc/36/47/93/785364793.db2.gz RNKSAGZGCBVVEX-PWSUYJOCSA-N 1 0 340.384 -1.122 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098626461 785364601 /nfs/dbraw/zinc/36/46/01/785364601.db2.gz RNKSAGZGCBVVEX-ZYHUDNBSSA-N 1 0 340.384 -1.122 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098626680 785365632 /nfs/dbraw/zinc/36/56/32/785365632.db2.gz YYRKUTJTIAHNKF-GFCCVEGCSA-N 1 0 340.384 -1.121 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098626681 785365617 /nfs/dbraw/zinc/36/56/17/785365617.db2.gz YYRKUTJTIAHNKF-LBPRGKRZSA-N 1 0 340.384 -1.121 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098626822 785366480 /nfs/dbraw/zinc/36/64/80/785366480.db2.gz CKIVTMYXTYTDAX-NEPJUHHUSA-N 1 0 326.397 -1.258 20 0 EAADRO C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098626823 785366315 /nfs/dbraw/zinc/36/63/15/785366315.db2.gz CKIVTMYXTYTDAX-NWDGAFQWSA-N 1 0 326.397 -1.258 20 0 EAADRO C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098626824 785366433 /nfs/dbraw/zinc/36/64/33/785366433.db2.gz CKIVTMYXTYTDAX-RYUDHWBXSA-N 1 0 326.397 -1.258 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098626825 785366536 /nfs/dbraw/zinc/36/65/36/785366536.db2.gz CKIVTMYXTYTDAX-VXGBXAGGSA-N 1 0 326.397 -1.258 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098629764 785375514 /nfs/dbraw/zinc/37/55/14/785375514.db2.gz NFZLBUVUXLQMKK-GFCCVEGCSA-N 1 0 345.425 -1.432 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098629768 785374943 /nfs/dbraw/zinc/37/49/43/785374943.db2.gz NFZLBUVUXLQMKK-LBPRGKRZSA-N 1 0 345.425 -1.432 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001098630213 785377434 /nfs/dbraw/zinc/37/74/34/785377434.db2.gz CGPRGQNTQPNWLT-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001098630216 785377668 /nfs/dbraw/zinc/37/76/68/785377668.db2.gz CGPRGQNTQPNWLT-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001098630219 785377333 /nfs/dbraw/zinc/37/73/33/785377333.db2.gz CGPRGQNTQPNWLT-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001098630222 785376522 /nfs/dbraw/zinc/37/65/22/785376522.db2.gz CGPRGQNTQPNWLT-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC2(CC[NH+](CCn3cncn3)CC2)O1 ZINC001098630472 785377245 /nfs/dbraw/zinc/37/72/45/785377245.db2.gz FZLQYHVUHWSODT-GFCCVEGCSA-N 1 0 336.396 -1.155 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC2(CC[NH+](CCn3cncn3)CC2)O1 ZINC001098630473 785377524 /nfs/dbraw/zinc/37/75/24/785377524.db2.gz FZLQYHVUHWSODT-LBPRGKRZSA-N 1 0 336.396 -1.155 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001098630492 792044379 /nfs/dbraw/zinc/04/43/79/792044379.db2.gz GPGAVYZHSUNPDA-GHMZBOCLSA-N 1 0 326.397 -1.183 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001098630493 792044150 /nfs/dbraw/zinc/04/41/50/792044150.db2.gz GPGAVYZHSUNPDA-MNOVXSKESA-N 1 0 326.397 -1.183 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001098630494 792045565 /nfs/dbraw/zinc/04/55/65/792045565.db2.gz GPGAVYZHSUNPDA-QWRGUYRKSA-N 1 0 326.397 -1.183 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001098630495 785377191 /nfs/dbraw/zinc/37/71/91/785377191.db2.gz GPGAVYZHSUNPDA-WDEREUQCSA-N 1 0 326.397 -1.183 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001098630833 785376567 /nfs/dbraw/zinc/37/65/67/785376567.db2.gz XGKJLSPTZGDZQK-CMPLNLGQSA-N 1 0 345.425 -1.434 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001098630834 785376538 /nfs/dbraw/zinc/37/65/38/785376538.db2.gz XGKJLSPTZGDZQK-JQWIXIFHSA-N 1 0 345.425 -1.434 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001098630838 785377295 /nfs/dbraw/zinc/37/72/95/785377295.db2.gz XGKJLSPTZGDZQK-PWSUYJOCSA-N 1 0 345.425 -1.434 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001098630839 785376479 /nfs/dbraw/zinc/37/64/79/785376479.db2.gz XGKJLSPTZGDZQK-ZYHUDNBSSA-N 1 0 345.425 -1.434 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001098631118 785377756 /nfs/dbraw/zinc/37/77/56/785377756.db2.gz PPASZAPUFKCFDN-NEPJUHHUSA-N 1 0 338.408 -1.216 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001098631119 785377499 /nfs/dbraw/zinc/37/74/99/785377499.db2.gz PPASZAPUFKCFDN-NWDGAFQWSA-N 1 0 338.408 -1.216 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001098631120 785376804 /nfs/dbraw/zinc/37/68/04/785376804.db2.gz PPASZAPUFKCFDN-RYUDHWBXSA-N 1 0 338.408 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001098631121 785377567 /nfs/dbraw/zinc/37/75/67/785377567.db2.gz PPASZAPUFKCFDN-VXGBXAGGSA-N 1 0 338.408 -1.216 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC2(CC[NH+](CC(=O)N(C)C)CC2)O1 ZINC001098631344 792043893 /nfs/dbraw/zinc/04/38/93/792043893.db2.gz VCKKEMGWTKBAJV-LLVKDONJSA-N 1 0 326.397 -1.358 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC2(CC[NH+](CC(=O)N(C)C)CC2)O1 ZINC001098631345 792043572 /nfs/dbraw/zinc/04/35/72/792043572.db2.gz VCKKEMGWTKBAJV-NSHDSACASA-N 1 0 326.397 -1.358 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC2(CC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001098634518 785385643 /nfs/dbraw/zinc/38/56/43/785385643.db2.gz TZBKUBSQOMZSTN-GFCCVEGCSA-N 1 0 338.408 -1.214 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC2(CC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001098634519 785385443 /nfs/dbraw/zinc/38/54/43/785385443.db2.gz TZBKUBSQOMZSTN-LBPRGKRZSA-N 1 0 338.408 -1.214 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001098634862 785386439 /nfs/dbraw/zinc/38/64/39/785386439.db2.gz YXIYGOOONOYIMW-NEPJUHHUSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001098634863 785387188 /nfs/dbraw/zinc/38/71/88/785387188.db2.gz YXIYGOOONOYIMW-NWDGAFQWSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001098634864 785386983 /nfs/dbraw/zinc/38/69/83/785386983.db2.gz YXIYGOOONOYIMW-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC2(CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001098634865 785386952 /nfs/dbraw/zinc/38/69/52/785386952.db2.gz YXIYGOOONOYIMW-VXGBXAGGSA-N 1 0 338.408 -1.168 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098638594 785766648 /nfs/dbraw/zinc/76/66/48/785766648.db2.gz ZERMCNSKOKPCLM-CHWSQXEVSA-N 1 0 336.396 -1.198 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098638595 785766527 /nfs/dbraw/zinc/76/65/27/785766527.db2.gz ZERMCNSKOKPCLM-QWHCGFSZSA-N 1 0 336.396 -1.198 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098644419 785794528 /nfs/dbraw/zinc/79/45/28/785794528.db2.gz AMXMAZBAYMEFAJ-CHWSQXEVSA-N 1 0 335.412 -1.279 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098644430 785795957 /nfs/dbraw/zinc/79/59/57/785795957.db2.gz AMXMAZBAYMEFAJ-OLZOCXBDSA-N 1 0 335.412 -1.279 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098644432 785795289 /nfs/dbraw/zinc/79/52/89/785795289.db2.gz AMXMAZBAYMEFAJ-QWHCGFSZSA-N 1 0 335.412 -1.279 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098644434 785794853 /nfs/dbraw/zinc/79/48/53/785794853.db2.gz AMXMAZBAYMEFAJ-STQMWFEESA-N 1 0 335.412 -1.279 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644654 792044018 /nfs/dbraw/zinc/04/40/18/792044018.db2.gz CYBIDNMLMPIAPU-KBPBESRZSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644655 792045040 /nfs/dbraw/zinc/04/50/40/792045040.db2.gz CYBIDNMLMPIAPU-KGLIPLIRSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644656 792044288 /nfs/dbraw/zinc/04/42/88/792044288.db2.gz CYBIDNMLMPIAPU-UONOGXRCSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644657 792046621 /nfs/dbraw/zinc/04/66/21/792046621.db2.gz CYBIDNMLMPIAPU-ZIAGYGMSSA-N 1 0 349.439 -1.019 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CC[C@@H](n2cc(CNCCO)nn2)C1 ZINC001098651994 785816972 /nfs/dbraw/zinc/81/69/72/785816972.db2.gz IJGVLROELRLEDW-GFCCVEGCSA-N 1 0 334.384 -1.116 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CC[C@H](n2cc(CNCCO)nn2)C1 ZINC001098651995 785818216 /nfs/dbraw/zinc/81/82/16/785818216.db2.gz IJGVLROELRLEDW-LBPRGKRZSA-N 1 0 334.384 -1.116 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098661273 792046055 /nfs/dbraw/zinc/04/60/55/792046055.db2.gz IJGNYOJTMDAWOL-CMPLNLGQSA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098661274 792047900 /nfs/dbraw/zinc/04/79/00/792047900.db2.gz IJGNYOJTMDAWOL-JQWIXIFHSA-N 1 0 339.400 -1.420 20 0 EAADRO CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)CC(=O)NC)C2)nn1 ZINC001098664249 785833503 /nfs/dbraw/zinc/83/35/03/785833503.db2.gz MZJZVQHOAKEIJE-LLVKDONJSA-N 1 0 337.384 -1.977 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCN(C(=O)CC(=O)NC)C2)nn1 ZINC001098664251 785833525 /nfs/dbraw/zinc/83/35/25/785833525.db2.gz MZJZVQHOAKEIJE-NSHDSACASA-N 1 0 337.384 -1.977 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098666711 785835766 /nfs/dbraw/zinc/83/57/66/785835766.db2.gz FNNTUCSGLSHZTO-CMPLNLGQSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098666712 785835458 /nfs/dbraw/zinc/83/54/58/785835458.db2.gz FNNTUCSGLSHZTO-JQWIXIFHSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098666713 785834679 /nfs/dbraw/zinc/83/46/79/785834679.db2.gz FNNTUCSGLSHZTO-PWSUYJOCSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098666714 785834730 /nfs/dbraw/zinc/83/47/30/785834730.db2.gz FNNTUCSGLSHZTO-ZYHUDNBSSA-N 1 0 334.384 -1.036 20 0 EAADRO COCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001098666871 785834966 /nfs/dbraw/zinc/83/49/66/785834966.db2.gz JNQSQRJGRCMEDI-NEPJUHHUSA-N 1 0 338.368 -1.104 20 0 EAADRO COCCNCc1cn([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001098666872 785834871 /nfs/dbraw/zinc/83/48/71/785834871.db2.gz JNQSQRJGRCMEDI-NWDGAFQWSA-N 1 0 338.368 -1.104 20 0 EAADRO COCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001098666873 785835635 /nfs/dbraw/zinc/83/56/35/785835635.db2.gz JNQSQRJGRCMEDI-RYUDHWBXSA-N 1 0 338.368 -1.104 20 0 EAADRO COCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001098666874 785835072 /nfs/dbraw/zinc/83/50/72/785835072.db2.gz JNQSQRJGRCMEDI-VXGBXAGGSA-N 1 0 338.368 -1.104 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001098667043 785835720 /nfs/dbraw/zinc/83/57/20/785835720.db2.gz PDBVTYYEULYUFF-CMPLNLGQSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001098667044 785835949 /nfs/dbraw/zinc/83/59/49/785835949.db2.gz PDBVTYYEULYUFF-JQWIXIFHSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001098667045 785835030 /nfs/dbraw/zinc/83/50/30/785835030.db2.gz PDBVTYYEULYUFF-PWSUYJOCSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001098667046 785835682 /nfs/dbraw/zinc/83/56/82/785835682.db2.gz PDBVTYYEULYUFF-ZYHUDNBSSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnn3C)C2)nn1 ZINC001098667147 792047034 /nfs/dbraw/zinc/04/70/34/792047034.db2.gz RVLUQKMGPWNLOT-CMPLNLGQSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnnn3C)C2)nn1 ZINC001098667148 792046039 /nfs/dbraw/zinc/04/60/39/792046039.db2.gz RVLUQKMGPWNLOT-JQWIXIFHSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnnn3C)C2)nn1 ZINC001098667149 792047084 /nfs/dbraw/zinc/04/70/84/792047084.db2.gz RVLUQKMGPWNLOT-PWSUYJOCSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnn3C)C2)nn1 ZINC001098667150 792046443 /nfs/dbraw/zinc/04/64/43/792046443.db2.gz RVLUQKMGPWNLOT-ZYHUDNBSSA-N 1 0 334.384 -1.036 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)nn1 ZINC001098667239 785834805 /nfs/dbraw/zinc/83/48/05/785834805.db2.gz UYMDARXXBSTWRP-GFCCVEGCSA-N 1 0 334.384 -1.034 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)nn1 ZINC001098667240 785835559 /nfs/dbraw/zinc/83/55/59/785835559.db2.gz UYMDARXXBSTWRP-LBPRGKRZSA-N 1 0 334.384 -1.034 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001098667283 792046186 /nfs/dbraw/zinc/04/61/86/792046186.db2.gz WGIMMNOZQJNCSP-GFCCVEGCSA-N 1 0 334.384 -1.034 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001098667284 792047381 /nfs/dbraw/zinc/04/73/81/792047381.db2.gz WGIMMNOZQJNCSP-LBPRGKRZSA-N 1 0 334.384 -1.034 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(CNCC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001098672806 792047654 /nfs/dbraw/zinc/04/76/54/792047654.db2.gz JENZKWFNWKYSAI-KWCYVHTRSA-N 1 0 349.439 -1.033 20 0 EAADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(CNCC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001098672809 792045807 /nfs/dbraw/zinc/04/58/07/792045807.db2.gz JENZKWFNWKYSAI-MRVWCRGKSA-N 1 0 349.439 -1.033 20 0 EAADRO COCCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098675407 792048784 /nfs/dbraw/zinc/04/87/84/792048784.db2.gz AKMGYRGPIUKWGN-CYBMUJFWSA-N 1 0 349.399 -1.136 20 0 EAADRO COCCC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098675408 792048651 /nfs/dbraw/zinc/04/86/51/792048651.db2.gz AKMGYRGPIUKWGN-ZDUSSCGKSA-N 1 0 349.399 -1.136 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098676657 792049360 /nfs/dbraw/zinc/04/93/60/792049360.db2.gz RUNYLEKSSMTEQF-CMPLNLGQSA-N 1 0 335.372 -1.791 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098676658 792049335 /nfs/dbraw/zinc/04/93/35/792049335.db2.gz RUNYLEKSSMTEQF-JQWIXIFHSA-N 1 0 335.372 -1.791 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098676659 792049748 /nfs/dbraw/zinc/04/97/48/792049748.db2.gz RUNYLEKSSMTEQF-PWSUYJOCSA-N 1 0 335.372 -1.791 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098676660 792050285 /nfs/dbraw/zinc/05/02/85/792050285.db2.gz RUNYLEKSSMTEQF-ZYHUDNBSSA-N 1 0 335.372 -1.791 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098676683 792049701 /nfs/dbraw/zinc/04/97/01/792049701.db2.gz SIDSVUPTISDNEL-GFCCVEGCSA-N 1 0 335.372 -1.790 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098676684 785899668 /nfs/dbraw/zinc/89/96/68/785899668.db2.gz SIDSVUPTISDNEL-LBPRGKRZSA-N 1 0 335.372 -1.790 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098680895 792049671 /nfs/dbraw/zinc/04/96/71/792049671.db2.gz LCZCPKFISRNOIM-GFCCVEGCSA-N 1 0 339.400 -1.548 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098680897 785455564 /nfs/dbraw/zinc/45/55/64/785455564.db2.gz LCZCPKFISRNOIM-LBPRGKRZSA-N 1 0 339.400 -1.548 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098681374 785454451 /nfs/dbraw/zinc/45/44/51/785454451.db2.gz RRWKTPVITWUVMZ-AAEUAGOBSA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098681375 785454102 /nfs/dbraw/zinc/45/41/02/785454102.db2.gz RRWKTPVITWUVMZ-DGCLKSJQSA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098681378 785455487 /nfs/dbraw/zinc/45/54/87/785455487.db2.gz RRWKTPVITWUVMZ-WCQYABFASA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098681380 785455092 /nfs/dbraw/zinc/45/50/92/785455092.db2.gz RRWKTPVITWUVMZ-YPMHNXCESA-N 1 0 334.384 -1.186 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1)C1CC1 ZINC001098681503 785455190 /nfs/dbraw/zinc/45/51/90/785455190.db2.gz UCOMCWDMVUVTGO-DZGCQCFKSA-N 1 0 349.439 -1.033 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1)C1CC1 ZINC001098681505 785454885 /nfs/dbraw/zinc/45/48/85/785454885.db2.gz UCOMCWDMVUVTGO-HIFRSBDPSA-N 1 0 349.439 -1.033 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1)C1CC1 ZINC001098681508 785454838 /nfs/dbraw/zinc/45/48/38/785454838.db2.gz UCOMCWDMVUVTGO-UKRRQHHQSA-N 1 0 349.439 -1.033 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1)C1CC1 ZINC001098681509 785454536 /nfs/dbraw/zinc/45/45/36/785454536.db2.gz UCOMCWDMVUVTGO-ZFWWWQNUSA-N 1 0 349.439 -1.033 20 0 EAADRO O=C(Cn1nccn1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098681688 785455284 /nfs/dbraw/zinc/45/52/84/785455284.db2.gz WLJUNYHODXCUGP-CYBMUJFWSA-N 1 0 334.384 -1.185 20 0 EAADRO O=C(Cn1nccn1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098681689 785455061 /nfs/dbraw/zinc/45/50/61/785455061.db2.gz WLJUNYHODXCUGP-ZDUSSCGKSA-N 1 0 334.384 -1.185 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098681830 792050527 /nfs/dbraw/zinc/05/05/27/792050527.db2.gz XLTFYFOLEAMPLI-CMPLNLGQSA-N 1 0 339.400 -1.549 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098681831 792048515 /nfs/dbraw/zinc/04/85/15/792048515.db2.gz XLTFYFOLEAMPLI-JQWIXIFHSA-N 1 0 339.400 -1.549 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098681832 792048723 /nfs/dbraw/zinc/04/87/23/792048723.db2.gz XLTFYFOLEAMPLI-PWSUYJOCSA-N 1 0 339.400 -1.549 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098681833 792048256 /nfs/dbraw/zinc/04/82/56/792048256.db2.gz XLTFYFOLEAMPLI-ZYHUDNBSSA-N 1 0 339.400 -1.549 20 0 EAADRO CC[C@H](C(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1)[NH+](C)C ZINC001098685926 792049308 /nfs/dbraw/zinc/04/93/08/792049308.db2.gz UVORNRQFJSWDER-CHWSQXEVSA-N 1 0 337.428 -1.033 20 0 EAADRO CC[C@H](C(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1)[NH+](C)C ZINC001098685927 792050038 /nfs/dbraw/zinc/05/00/38/792050038.db2.gz UVORNRQFJSWDER-QWHCGFSZSA-N 1 0 337.428 -1.033 20 0 EAADRO CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C2)nn1 ZINC001098694995 785601225 /nfs/dbraw/zinc/60/12/25/785601225.db2.gz PGUMGAOGPLEPCD-LLVKDONJSA-N 1 0 345.429 -1.785 20 0 EAADRO CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNS(=O)(=O)NC)C2)nn1 ZINC001098694996 785602012 /nfs/dbraw/zinc/60/20/12/785602012.db2.gz PGUMGAOGPLEPCD-NSHDSACASA-N 1 0 345.429 -1.785 20 0 EAADRO CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001098698146 785629801 /nfs/dbraw/zinc/62/98/01/785629801.db2.gz QRBBPRJLYMONMD-AWEZNQCLSA-N 1 0 349.439 -1.017 20 0 EAADRO CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001098698147 785630076 /nfs/dbraw/zinc/63/00/76/785630076.db2.gz QRBBPRJLYMONMD-CQSZACIVSA-N 1 0 349.439 -1.017 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098698702 785631361 /nfs/dbraw/zinc/63/13/61/785631361.db2.gz XIOAVLPNJNGJAD-CHWSQXEVSA-N 1 0 336.396 -1.340 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098698703 785631677 /nfs/dbraw/zinc/63/16/77/785631677.db2.gz XIOAVLPNJNGJAD-OLZOCXBDSA-N 1 0 336.396 -1.340 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098698704 785631205 /nfs/dbraw/zinc/63/12/05/785631205.db2.gz XIOAVLPNJNGJAD-QWHCGFSZSA-N 1 0 336.396 -1.340 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098698705 785631657 /nfs/dbraw/zinc/63/16/57/785631657.db2.gz XIOAVLPNJNGJAD-STQMWFEESA-N 1 0 336.396 -1.340 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001098701311 785637055 /nfs/dbraw/zinc/63/70/55/785637055.db2.gz YXNZLCMXDPVXHX-LLVKDONJSA-N 1 0 335.372 -1.639 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001098701313 785637019 /nfs/dbraw/zinc/63/70/19/785637019.db2.gz YXNZLCMXDPVXHX-NSHDSACASA-N 1 0 335.372 -1.639 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001098703289 785650899 /nfs/dbraw/zinc/65/08/99/785650899.db2.gz NSNIBYOFHIIGCN-GXSJLCMTSA-N 1 0 335.372 -1.641 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001098703290 785650837 /nfs/dbraw/zinc/65/08/37/785650837.db2.gz NSNIBYOFHIIGCN-KOLCDFICSA-N 1 0 335.372 -1.641 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001098703291 785650712 /nfs/dbraw/zinc/65/07/12/785650712.db2.gz NSNIBYOFHIIGCN-MWLCHTKSSA-N 1 0 335.372 -1.641 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001098703292 785651404 /nfs/dbraw/zinc/65/14/04/785651404.db2.gz NSNIBYOFHIIGCN-ONGXEEELSA-N 1 0 335.372 -1.641 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)CC1 ZINC001098705176 792055073 /nfs/dbraw/zinc/05/50/73/792055073.db2.gz AHDDCUHJYDTCSQ-GFCCVEGCSA-N 1 0 336.396 -1.211 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)CC1 ZINC001098705177 785659995 /nfs/dbraw/zinc/65/99/95/785659995.db2.gz AHDDCUHJYDTCSQ-LBPRGKRZSA-N 1 0 336.396 -1.211 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098705203 792053945 /nfs/dbraw/zinc/05/39/45/792053945.db2.gz APLDUPDTWBKHSZ-NEPJUHHUSA-N 1 0 337.384 -1.795 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098705205 792054635 /nfs/dbraw/zinc/05/46/35/792054635.db2.gz APLDUPDTWBKHSZ-NWDGAFQWSA-N 1 0 337.384 -1.795 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098705207 792054509 /nfs/dbraw/zinc/05/45/09/792054509.db2.gz APLDUPDTWBKHSZ-RYUDHWBXSA-N 1 0 337.384 -1.795 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098705208 792053268 /nfs/dbraw/zinc/05/32/68/792053268.db2.gz APLDUPDTWBKHSZ-VXGBXAGGSA-N 1 0 337.384 -1.795 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 ZINC001098705418 792053711 /nfs/dbraw/zinc/05/37/11/792053711.db2.gz DQBHKCOUTDVVOX-CMPLNLGQSA-N 1 0 336.396 -1.213 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 ZINC001098705419 792054918 /nfs/dbraw/zinc/05/49/18/792054918.db2.gz DQBHKCOUTDVVOX-JQWIXIFHSA-N 1 0 336.396 -1.213 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 ZINC001098705420 792055049 /nfs/dbraw/zinc/05/50/49/792055049.db2.gz DQBHKCOUTDVVOX-PWSUYJOCSA-N 1 0 336.396 -1.213 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 ZINC001098705421 792055168 /nfs/dbraw/zinc/05/51/68/792055168.db2.gz DQBHKCOUTDVVOX-ZYHUDNBSSA-N 1 0 336.396 -1.213 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC[C@@H](n3cc(CNCC(N)=O)nn3)C2)CC1 ZINC001098706068 792054896 /nfs/dbraw/zinc/05/48/96/792054896.db2.gz QJVCBIVPXRVPPH-CYBMUJFWSA-N 1 0 349.439 -1.032 20 0 EAADRO C[NH+](C)CC1(C(=O)N2CC[C@H](n3cc(CNCC(N)=O)nn3)C2)CC1 ZINC001098706069 792055456 /nfs/dbraw/zinc/05/54/56/792055456.db2.gz QJVCBIVPXRVPPH-ZDUSSCGKSA-N 1 0 349.439 -1.032 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 ZINC001098710158 792053111 /nfs/dbraw/zinc/05/31/11/792053111.db2.gz AGYUSGRPTCCLMP-CMPLNLGQSA-N 1 0 347.379 -1.081 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 ZINC001098710162 792054843 /nfs/dbraw/zinc/05/48/43/792054843.db2.gz AGYUSGRPTCCLMP-JQWIXIFHSA-N 1 0 347.379 -1.081 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 ZINC001098710163 792053598 /nfs/dbraw/zinc/05/35/98/792053598.db2.gz AGYUSGRPTCCLMP-PWSUYJOCSA-N 1 0 347.379 -1.081 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 ZINC001098710164 792055410 /nfs/dbraw/zinc/05/54/10/792055410.db2.gz AGYUSGRPTCCLMP-ZYHUDNBSSA-N 1 0 347.379 -1.081 20 0 EAADRO Cn1nccc1CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710182 792053690 /nfs/dbraw/zinc/05/36/90/792053690.db2.gz ARLBEUFDMUODLA-CYBMUJFWSA-N 1 0 346.395 -1.397 20 0 EAADRO Cn1nccc1CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710183 792053330 /nfs/dbraw/zinc/05/33/30/792053330.db2.gz ARLBEUFDMUODLA-ZDUSSCGKSA-N 1 0 346.395 -1.397 20 0 EAADRO Cn1cc(CC[NH2+]Cc2cn([C@@H]3CCN(C(=O)C(N)=O)C3)nn2)cn1 ZINC001098710513 792053837 /nfs/dbraw/zinc/05/38/37/792053837.db2.gz FKEDIXNEJDGRCE-CYBMUJFWSA-N 1 0 346.395 -1.397 20 0 EAADRO Cn1cc(CC[NH2+]Cc2cn([C@H]3CCN(C(=O)C(N)=O)C3)nn2)cn1 ZINC001098710514 792053487 /nfs/dbraw/zinc/05/34/87/792053487.db2.gz FKEDIXNEJDGRCE-ZDUSSCGKSA-N 1 0 346.395 -1.397 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098711225 785667747 /nfs/dbraw/zinc/66/77/47/785667747.db2.gz RKKJPDGKBZYBFO-GFCCVEGCSA-N 1 0 347.379 -1.079 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098711229 785667880 /nfs/dbraw/zinc/66/78/80/785667880.db2.gz RKKJPDGKBZYBFO-LBPRGKRZSA-N 1 0 347.379 -1.079 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098711527 785669325 /nfs/dbraw/zinc/66/93/25/785669325.db2.gz WRKXJQSRHORYHG-CYBMUJFWSA-N 1 0 337.428 -1.032 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098711528 785668563 /nfs/dbraw/zinc/66/85/63/785668563.db2.gz WRKXJQSRHORYHG-ZDUSSCGKSA-N 1 0 337.428 -1.032 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001098720588 792054130 /nfs/dbraw/zinc/05/41/30/792054130.db2.gz JNUSNAGPJCMSIM-WFASDCNBSA-N 1 0 348.411 -1.331 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001098720612 792055572 /nfs/dbraw/zinc/05/55/72/792055572.db2.gz KQXVTKQWNLYYKV-NHYWBVRUSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001098720805 792054312 /nfs/dbraw/zinc/05/43/12/792054312.db2.gz QPXDHLFSRMMBLF-HUBLWGQQSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001098720806 792055189 /nfs/dbraw/zinc/05/51/89/792055189.db2.gz QPXDHLFSRMMBLF-ZOWXZIJZSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001098721028 792055608 /nfs/dbraw/zinc/05/56/08/792055608.db2.gz XWUXYYWVFGXJBO-PGUXBMHVSA-N 1 0 347.379 -1.551 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001098721029 792053136 /nfs/dbraw/zinc/05/31/36/792053136.db2.gz XWUXYYWVFGXJBO-RWSFTLGLSA-N 1 0 347.379 -1.551 20 0 EAADRO C[C@H](NCc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098721814 792054424 /nfs/dbraw/zinc/05/44/24/792054424.db2.gz KXLDVNRXPNEPOT-AAEUAGOBSA-N 1 0 337.428 -1.033 20 0 EAADRO C[C@@H](NCc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098721815 792054617 /nfs/dbraw/zinc/05/46/17/792054617.db2.gz KXLDVNRXPNEPOT-DGCLKSJQSA-N 1 0 337.428 -1.033 20 0 EAADRO C[C@H](NCc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098722020 792055485 /nfs/dbraw/zinc/05/54/85/792055485.db2.gz KXLDVNRXPNEPOT-WCQYABFASA-N 1 0 337.428 -1.033 20 0 EAADRO C[C@@H](NCc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098722021 792054393 /nfs/dbraw/zinc/05/43/93/792054393.db2.gz KXLDVNRXPNEPOT-YPMHNXCESA-N 1 0 337.428 -1.033 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001098722622 785710814 /nfs/dbraw/zinc/71/08/14/785710814.db2.gz PCKXEEMTOXOPTJ-KBPBESRZSA-N 1 0 349.439 -1.019 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001098722625 785711627 /nfs/dbraw/zinc/71/16/27/785711627.db2.gz PCKXEEMTOXOPTJ-KGLIPLIRSA-N 1 0 349.439 -1.019 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001098722628 785711454 /nfs/dbraw/zinc/71/14/54/785711454.db2.gz PCKXEEMTOXOPTJ-UONOGXRCSA-N 1 0 349.439 -1.019 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001098722630 785711126 /nfs/dbraw/zinc/71/11/26/785711126.db2.gz PCKXEEMTOXOPTJ-ZIAGYGMSSA-N 1 0 349.439 -1.019 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@H](n3cc(CNCC(N)=O)nn3)C2)CC1 ZINC001098722942 785712993 /nfs/dbraw/zinc/71/29/93/785712993.db2.gz RIANUZGTTAZELI-AWEZNQCLSA-N 1 0 349.439 -1.032 20 0 EAADRO C[NH+]1CCC(C(=O)N2CC[C@@H](n3cc(CNCC(N)=O)nn3)C2)CC1 ZINC001098722943 785712854 /nfs/dbraw/zinc/71/28/54/785712854.db2.gz RIANUZGTTAZELI-CQSZACIVSA-N 1 0 349.439 -1.032 20 0 EAADRO CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cnnn3)C2)C1=O ZINC001098722973 792055436 /nfs/dbraw/zinc/05/54/36/792055436.db2.gz DSLUKPZPIMVISI-HUBLWGQQSA-N 1 0 333.396 -1.126 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cnnn3)C2)C1=O ZINC001098722978 792053214 /nfs/dbraw/zinc/05/32/14/792053214.db2.gz DSLUKPZPIMVISI-ZOWXZIJZSA-N 1 0 333.396 -1.126 20 0 EAADRO CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723013 785712274 /nfs/dbraw/zinc/71/22/74/785712274.db2.gz SZUJBFZXPXKPAY-CYBMUJFWSA-N 1 0 337.428 -1.161 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723014 785712740 /nfs/dbraw/zinc/71/27/40/785712740.db2.gz SZUJBFZXPXKPAY-ZDUSSCGKSA-N 1 0 337.428 -1.161 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001098723407 792053284 /nfs/dbraw/zinc/05/32/84/792053284.db2.gz JMSHOHXOHPNLET-JSGCOSHPSA-N 1 0 331.384 -1.065 20 0 EAADRO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001098724041 792055115 /nfs/dbraw/zinc/05/51/15/792055115.db2.gz RZPQXTOLATUBGK-WFASDCNBSA-N 1 0 333.396 -1.124 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098728070 792057833 /nfs/dbraw/zinc/05/78/33/792057833.db2.gz LLEPXXKQIOFVAR-UPJWGTAASA-N 1 0 336.396 -1.355 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098728071 792057780 /nfs/dbraw/zinc/05/77/80/792057780.db2.gz LLEPXXKQIOFVAR-XQQFMLRXSA-N 1 0 336.396 -1.355 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1)[NH+](C)C ZINC001098728767 785737745 /nfs/dbraw/zinc/73/77/45/785737745.db2.gz UVORNRQFJSWDER-OLZOCXBDSA-N 1 0 337.428 -1.033 20 0 EAADRO CC[C@@H](C(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1)[NH+](C)C ZINC001098728769 785737606 /nfs/dbraw/zinc/73/76/06/785737606.db2.gz UVORNRQFJSWDER-STQMWFEESA-N 1 0 337.428 -1.033 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098732862 792055751 /nfs/dbraw/zinc/05/57/51/792055751.db2.gz AOZJMWNOHORUQG-GXTWGEPZSA-N 1 0 349.439 -1.032 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098732863 792057850 /nfs/dbraw/zinc/05/78/50/792057850.db2.gz AOZJMWNOHORUQG-JSGCOSHPSA-N 1 0 349.439 -1.032 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098732865 792056209 /nfs/dbraw/zinc/05/62/09/792056209.db2.gz AOZJMWNOHORUQG-OCCSQVGLSA-N 1 0 349.439 -1.032 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098732867 792056439 /nfs/dbraw/zinc/05/64/39/792056439.db2.gz AOZJMWNOHORUQG-TZMCWYRMSA-N 1 0 349.439 -1.032 20 0 EAADRO NC(=O)CNCc1cn([C@@H]2CCN(C(=O)c3ccnnc3)C2)nn1 ZINC001098734710 785758071 /nfs/dbraw/zinc/75/80/71/785758071.db2.gz WKLPCECBGRCYMQ-GFCCVEGCSA-N 1 0 330.352 -1.270 20 0 EAADRO NC(=O)CNCc1cn([C@H]2CCN(C(=O)c3ccnnc3)C2)nn1 ZINC001098734713 785757989 /nfs/dbraw/zinc/75/79/89/785757989.db2.gz WKLPCECBGRCYMQ-LBPRGKRZSA-N 1 0 330.352 -1.270 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001098746637 792055976 /nfs/dbraw/zinc/05/59/76/792055976.db2.gz WQBPXDRCTOIMOS-GFCCVEGCSA-N 1 0 334.384 -1.034 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001098746638 792057505 /nfs/dbraw/zinc/05/75/05/792057505.db2.gz WQBPXDRCTOIMOS-LBPRGKRZSA-N 1 0 334.384 -1.034 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001098746682 792057486 /nfs/dbraw/zinc/05/74/86/792057486.db2.gz XVMGMMYHYMJTTJ-CMPLNLGQSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001098746683 792057540 /nfs/dbraw/zinc/05/75/40/792057540.db2.gz XVMGMMYHYMJTTJ-JQWIXIFHSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001098746684 792056676 /nfs/dbraw/zinc/05/66/76/792056676.db2.gz XVMGMMYHYMJTTJ-PWSUYJOCSA-N 1 0 334.384 -1.036 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001098746685 792056949 /nfs/dbraw/zinc/05/69/49/792056949.db2.gz XVMGMMYHYMJTTJ-ZYHUDNBSSA-N 1 0 334.384 -1.036 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098752089 786427055 /nfs/dbraw/zinc/42/70/55/786427055.db2.gz TYUZODLZFPEXPC-CYBMUJFWSA-N 1 0 337.428 -1.032 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098752096 786426328 /nfs/dbraw/zinc/42/63/28/786426328.db2.gz TYUZODLZFPEXPC-ZDUSSCGKSA-N 1 0 337.428 -1.032 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001098757223 792059407 /nfs/dbraw/zinc/05/94/07/792059407.db2.gz JUTJKUPVINYXQJ-AAEUAGOBSA-N 1 0 349.399 -1.401 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001098757224 792060541 /nfs/dbraw/zinc/06/05/41/792060541.db2.gz JUTJKUPVINYXQJ-DGCLKSJQSA-N 1 0 349.399 -1.401 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001098757225 792059172 /nfs/dbraw/zinc/05/91/72/792059172.db2.gz JUTJKUPVINYXQJ-WCQYABFASA-N 1 0 349.399 -1.401 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001098757226 792060490 /nfs/dbraw/zinc/06/04/90/792060490.db2.gz JUTJKUPVINYXQJ-YPMHNXCESA-N 1 0 349.399 -1.401 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098757897 785926084 /nfs/dbraw/zinc/92/60/84/785926084.db2.gz UQLZRZQLUMLCRN-CYBMUJFWSA-N 1 0 349.399 -1.400 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098757898 785926288 /nfs/dbraw/zinc/92/62/88/785926288.db2.gz UQLZRZQLUMLCRN-ZDUSSCGKSA-N 1 0 349.399 -1.400 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001098761414 785928543 /nfs/dbraw/zinc/92/85/43/785928543.db2.gz FBMCOJAMBJEIRD-CMPLNLGQSA-N 1 0 334.384 -1.117 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001098761417 785928759 /nfs/dbraw/zinc/92/87/59/785928759.db2.gz FBMCOJAMBJEIRD-JQWIXIFHSA-N 1 0 334.384 -1.117 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001098761422 785928419 /nfs/dbraw/zinc/92/84/19/785928419.db2.gz FBMCOJAMBJEIRD-PWSUYJOCSA-N 1 0 334.384 -1.117 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001098761425 785928354 /nfs/dbraw/zinc/92/83/54/785928354.db2.gz FBMCOJAMBJEIRD-ZYHUDNBSSA-N 1 0 334.384 -1.117 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 ZINC001098762214 785933007 /nfs/dbraw/zinc/93/30/07/785933007.db2.gz LDJJBSMICBTJBV-CYBMUJFWSA-N 1 0 336.396 -1.340 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 ZINC001098762215 785933027 /nfs/dbraw/zinc/93/30/27/785933027.db2.gz LDJJBSMICBTJBV-ZDUSSCGKSA-N 1 0 336.396 -1.340 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098762606 785937617 /nfs/dbraw/zinc/93/76/17/785937617.db2.gz OKMMTJFVWQUKHK-CYBMUJFWSA-N 1 0 337.428 -1.032 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098762609 785938321 /nfs/dbraw/zinc/93/83/21/785938321.db2.gz OKMMTJFVWQUKHK-ZDUSSCGKSA-N 1 0 337.428 -1.032 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098767096 785943377 /nfs/dbraw/zinc/94/33/77/785943377.db2.gz IZLYRKXWEIIXRQ-GFCCVEGCSA-N 1 0 334.384 -1.116 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098767103 785942440 /nfs/dbraw/zinc/94/24/40/785942440.db2.gz IZLYRKXWEIIXRQ-LBPRGKRZSA-N 1 0 334.384 -1.116 20 0 EAADRO NC(=O)CNCc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098767119 792058316 /nfs/dbraw/zinc/05/83/16/792058316.db2.gz JDDFFOCYBRBTJI-CYBMUJFWSA-N 1 0 347.423 -1.278 20 0 EAADRO NC(=O)CNCc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098767120 785942170 /nfs/dbraw/zinc/94/21/70/785942170.db2.gz JDDFFOCYBRBTJI-ZDUSSCGKSA-N 1 0 347.423 -1.278 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 ZINC001098767201 792060514 /nfs/dbraw/zinc/06/05/14/792060514.db2.gz KUSQWLSVLMIMLV-AWEZNQCLSA-N 1 0 340.428 -1.288 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 ZINC001098767202 792059090 /nfs/dbraw/zinc/05/90/90/792059090.db2.gz KUSQWLSVLMIMLV-CQSZACIVSA-N 1 0 340.428 -1.288 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098768838 792058835 /nfs/dbraw/zinc/05/88/35/792058835.db2.gz WSZAITWIRIPOIR-GXTWGEPZSA-N 1 0 349.439 -1.032 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098768839 792058781 /nfs/dbraw/zinc/05/87/81/792058781.db2.gz WSZAITWIRIPOIR-JSGCOSHPSA-N 1 0 349.439 -1.032 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098768841 792058621 /nfs/dbraw/zinc/05/86/21/792058621.db2.gz WSZAITWIRIPOIR-OCCSQVGLSA-N 1 0 349.439 -1.032 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001098768843 792058914 /nfs/dbraw/zinc/05/89/14/792058914.db2.gz WSZAITWIRIPOIR-TZMCWYRMSA-N 1 0 349.439 -1.032 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098769164 785944989 /nfs/dbraw/zinc/94/49/89/785944989.db2.gz ZERMCNSKOKPCLM-OLZOCXBDSA-N 1 0 336.396 -1.198 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098769166 785944016 /nfs/dbraw/zinc/94/40/16/785944016.db2.gz ZERMCNSKOKPCLM-STQMWFEESA-N 1 0 336.396 -1.198 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098774565 785948551 /nfs/dbraw/zinc/94/85/51/785948551.db2.gz QVFFRRXQVHDWRJ-CYBMUJFWSA-N 1 0 337.428 -1.032 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098774566 785948456 /nfs/dbraw/zinc/94/84/56/785948456.db2.gz QVFFRRXQVHDWRJ-ZDUSSCGKSA-N 1 0 337.428 -1.032 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098779182 785979333 /nfs/dbraw/zinc/97/93/33/785979333.db2.gz GDBNCLTXHKJUAQ-GFCCVEGCSA-N 1 0 339.400 -1.418 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098779184 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IEJDQLPTTWWZIF-GXTWGEPZSA-N 1 0 349.439 -1.161 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098779584 792059908 /nfs/dbraw/zinc/05/99/08/792059908.db2.gz IEJDQLPTTWWZIF-JSGCOSHPSA-N 1 0 349.439 -1.161 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098779586 792058400 /nfs/dbraw/zinc/05/84/00/792058400.db2.gz IEJDQLPTTWWZIF-OCCSQVGLSA-N 1 0 349.439 -1.161 20 0 EAADRO CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098779587 792058261 /nfs/dbraw/zinc/05/82/61/792058261.db2.gz IEJDQLPTTWWZIF-TZMCWYRMSA-N 1 0 349.439 -1.161 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098779642 792060041 /nfs/dbraw/zinc/06/00/41/792060041.db2.gz JIGGMAJBZRZXDK-CYBMUJFWSA-N 1 0 334.384 -1.185 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098779643 785983168 /nfs/dbraw/zinc/98/31/68/785983168.db2.gz JIGGMAJBZRZXDK-ZDUSSCGKSA-N 1 0 334.384 -1.185 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 ZINC001098779869 785983046 /nfs/dbraw/zinc/98/30/46/785983046.db2.gz MHQONBHTWFNRKX-AAEUAGOBSA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cncn3)C2)nn1 ZINC001098779870 785982922 /nfs/dbraw/zinc/98/29/22/785982922.db2.gz MHQONBHTWFNRKX-DGCLKSJQSA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cncn3)C2)nn1 ZINC001098779871 785982835 /nfs/dbraw/zinc/98/28/35/785982835.db2.gz MHQONBHTWFNRKX-WCQYABFASA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 ZINC001098779872 785983288 /nfs/dbraw/zinc/98/32/88/785983288.db2.gz MHQONBHTWFNRKX-YPMHNXCESA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 ZINC001098780106 792059953 /nfs/dbraw/zinc/05/99/53/792059953.db2.gz QWZHWUALASGLTM-CMPLNLGQSA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 ZINC001098780107 785985257 /nfs/dbraw/zinc/98/52/57/785985257.db2.gz QWZHWUALASGLTM-JQWIXIFHSA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 ZINC001098780111 785985514 /nfs/dbraw/zinc/98/55/14/785985514.db2.gz QWZHWUALASGLTM-PWSUYJOCSA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 ZINC001098780112 785984738 /nfs/dbraw/zinc/98/47/38/785984738.db2.gz QWZHWUALASGLTM-ZYHUDNBSSA-N 1 0 339.400 -1.420 20 0 EAADRO NC(=O)CNCc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780695 786009493 /nfs/dbraw/zinc/00/94/93/786009493.db2.gz YIFXDLKHVFTANR-CYBMUJFWSA-N 1 0 335.412 -1.278 20 0 EAADRO NC(=O)CNCc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780697 786010088 /nfs/dbraw/zinc/01/00/88/786010088.db2.gz YIFXDLKHVFTANR-ZDUSSCGKSA-N 1 0 335.412 -1.278 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780797 792059617 /nfs/dbraw/zinc/05/96/17/792059617.db2.gz ZLAHLSDHQCVTEC-AWEZNQCLSA-N 1 0 349.439 -1.017 20 0 EAADRO CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780798 786010054 /nfs/dbraw/zinc/01/00/54/786010054.db2.gz ZLAHLSDHQCVTEC-CQSZACIVSA-N 1 0 349.439 -1.017 20 0 EAADRO CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CS(=O)(=O)NC)C2)nn1 ZINC001098784703 792060469 /nfs/dbraw/zinc/06/04/69/792060469.db2.gz JSKIOZFOCLIUBH-LLVKDONJSA-N 1 0 330.414 -1.290 20 0 EAADRO CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CS(=O)(=O)NC)C2)nn1 ZINC001098784704 792059682 /nfs/dbraw/zinc/05/96/82/792059682.db2.gz JSKIOZFOCLIUBH-NSHDSACASA-N 1 0 330.414 -1.290 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098790034 792060870 /nfs/dbraw/zinc/06/08/70/792060870.db2.gz NGUQIAHNMZCTRI-CYBMUJFWSA-N 1 0 337.428 -1.033 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001098790035 786024077 /nfs/dbraw/zinc/02/40/77/786024077.db2.gz NGUQIAHNMZCTRI-ZDUSSCGKSA-N 1 0 337.428 -1.033 20 0 EAADRO O=C(CN1CN=NC1=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001098801586 792062365 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PJSAWGGERJYLHD-OCCSQVGLSA-N 1 0 339.396 -1.273 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001099675653 792110457 /nfs/dbraw/zinc/11/04/57/792110457.db2.gz PJSAWGGERJYLHD-TZMCWYRMSA-N 1 0 339.396 -1.273 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099677936 792109898 /nfs/dbraw/zinc/10/98/98/792109898.db2.gz CROPTSROLQFHTR-CHWSQXEVSA-N 1 0 327.385 -1.772 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099677937 792109167 /nfs/dbraw/zinc/10/91/67/792109167.db2.gz CROPTSROLQFHTR-OLZOCXBDSA-N 1 0 327.385 -1.772 20 0 EAADRO O=C(CCn1cncn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099677938 792109420 /nfs/dbraw/zinc/10/94/20/792109420.db2.gz CROPTSROLQFHTR-QWHCGFSZSA-N 1 0 327.385 -1.772 20 0 EAADRO O=C(CCn1cncn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099677939 792109819 /nfs/dbraw/zinc/10/98/19/792109819.db2.gz CROPTSROLQFHTR-STQMWFEESA-N 1 0 327.385 -1.772 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678479 792109405 /nfs/dbraw/zinc/10/94/05/792109405.db2.gz LHUROAHQSYTEBU-KBPBESRZSA-N 1 0 341.412 -1.117 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678480 792112624 /nfs/dbraw/zinc/11/26/24/792112624.db2.gz LHUROAHQSYTEBU-KGLIPLIRSA-N 1 0 341.412 -1.117 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678481 792112548 /nfs/dbraw/zinc/11/25/48/792112548.db2.gz LHUROAHQSYTEBU-UONOGXRCSA-N 1 0 341.412 -1.117 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678482 792111963 /nfs/dbraw/zinc/11/19/63/792111963.db2.gz LHUROAHQSYTEBU-ZIAGYGMSSA-N 1 0 341.412 -1.117 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099679319 792112329 /nfs/dbraw/zinc/11/23/29/792112329.db2.gz YTTIUYWANLSOCT-CHWSQXEVSA-N 1 0 334.384 -1.489 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099679320 792112282 /nfs/dbraw/zinc/11/22/82/792112282.db2.gz YTTIUYWANLSOCT-OLZOCXBDSA-N 1 0 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ZINC001099679362 792112339 /nfs/dbraw/zinc/11/23/39/792112339.db2.gz ZGFXJULHCRDOQA-ZIAGYGMSSA-N 1 0 339.396 -1.273 20 0 EAADRO O=C(CCn1cccn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099683406 792112653 /nfs/dbraw/zinc/11/26/53/792112653.db2.gz BPQYKMMQSOJKCN-KBPBESRZSA-N 1 0 326.397 -1.167 20 0 EAADRO O=C(CCn1cccn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099683407 792112466 /nfs/dbraw/zinc/11/24/66/792112466.db2.gz BPQYKMMQSOJKCN-KGLIPLIRSA-N 1 0 326.397 -1.167 20 0 EAADRO O=C(CCn1cccn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099683408 792111377 /nfs/dbraw/zinc/11/13/77/792111377.db2.gz BPQYKMMQSOJKCN-UONOGXRCSA-N 1 0 326.397 -1.167 20 0 EAADRO O=C(CCn1cccn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099683409 792112147 /nfs/dbraw/zinc/11/21/47/792112147.db2.gz BPQYKMMQSOJKCN-ZIAGYGMSSA-N 1 0 326.397 -1.167 20 0 EAADRO CS(=O)(=O)NCCN1CC[C@@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001099689142 786276350 /nfs/dbraw/zinc/27/63/50/786276350.db2.gz CZRNRMAPKHKNNW-PSASIEDQSA-N 1 0 349.438 -1.748 20 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/nfs/dbraw/zinc/11/39/62/792113962.db2.gz DQFIOAHRKDDZQF-HUUCEWRRSA-N 1 0 337.424 -1.008 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001099689212 792113872 /nfs/dbraw/zinc/11/38/72/792113872.db2.gz DQFIOAHRKDDZQF-LSDHHAIUSA-N 1 0 337.424 -1.008 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001099689222 792114078 /nfs/dbraw/zinc/11/40/78/792114078.db2.gz DYHZPUHLVZBPAZ-KBPBESRZSA-N 1 0 331.413 -1.321 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001099689223 792113756 /nfs/dbraw/zinc/11/37/56/792113756.db2.gz DYHZPUHLVZBPAZ-KGLIPLIRSA-N 1 0 331.413 -1.321 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001099689224 792114778 /nfs/dbraw/zinc/11/47/78/792114778.db2.gz DYHZPUHLVZBPAZ-UONOGXRCSA-N 1 0 331.413 -1.321 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001099689225 792114856 /nfs/dbraw/zinc/11/48/56/792114856.db2.gz DYHZPUHLVZBPAZ-ZIAGYGMSSA-N 1 0 331.413 -1.321 20 0 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786283586 /nfs/dbraw/zinc/28/35/86/786283586.db2.gz DRGXJZPXJHPQOJ-NEPJUHHUSA-N 1 0 344.412 -1.192 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)CCOC(C)C)[C@H](O)C1 ZINC001099692616 786283971 /nfs/dbraw/zinc/28/39/71/786283971.db2.gz DRGXJZPXJHPQOJ-NWDGAFQWSA-N 1 0 344.412 -1.192 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)CCOC(C)C)[C@@H](O)C1 ZINC001099692617 786284050 /nfs/dbraw/zinc/28/40/50/786284050.db2.gz DRGXJZPXJHPQOJ-RYUDHWBXSA-N 1 0 344.412 -1.192 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CCOC(C)C)[C@H](O)C1 ZINC001099692618 786283942 /nfs/dbraw/zinc/28/39/42/786283942.db2.gz DRGXJZPXJHPQOJ-VXGBXAGGSA-N 1 0 344.412 -1.192 20 0 EAADRO NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001099694979 786287638 /nfs/dbraw/zinc/28/76/38/786287638.db2.gz BGWOHWACQWQCMQ-RNFRBKRXSA-N 1 0 328.354 -2.102 20 0 EAADRO NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001099694980 786287366 /nfs/dbraw/zinc/28/73/66/786287366.db2.gz BGWOHWACQWQCMQ-RQJHMYQMSA-N 1 0 328.354 -2.102 20 0 EAADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)n(C)n1 ZINC001099698882 792119352 /nfs/dbraw/zinc/11/93/52/792119352.db2.gz UMDJJTWFLVEHBJ-GXTWGEPZSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n(C)n1 ZINC001099698884 792118188 /nfs/dbraw/zinc/11/81/88/792118188.db2.gz UMDJJTWFLVEHBJ-JSGCOSHPSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n(C)n1 ZINC001099698885 786304650 /nfs/dbraw/zinc/30/46/50/786304650.db2.gz UMDJJTWFLVEHBJ-OCCSQVGLSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)n(C)n1 ZINC001099698886 786304223 /nfs/dbraw/zinc/30/42/23/786304223.db2.gz UMDJJTWFLVEHBJ-TZMCWYRMSA-N 1 0 326.397 -1.098 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001099701061 792119216 /nfs/dbraw/zinc/11/92/16/792119216.db2.gz AOECSLYPDJZYRV-GXTWGEPZSA-N 1 0 340.380 -1.008 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001099701062 792119279 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EAADRO O=C(COCC1CC1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099701612 792119263 /nfs/dbraw/zinc/11/92/63/792119263.db2.gz HMKQLGLURKRGHZ-ZIAGYGMSSA-N 1 0 340.424 -1.010 20 0 EAADRO CN(CCN1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1)S(C)(=O)=O ZINC001099701671 786306154 /nfs/dbraw/zinc/30/61/54/786306154.db2.gz IEQVPXIQGDZOJT-PWSUYJOCSA-N 1 0 346.409 -1.269 20 0 EAADRO CN(CCN1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1)S(C)(=O)=O ZINC001099701672 786305878 /nfs/dbraw/zinc/30/58/78/786305878.db2.gz IEQVPXIQGDZOJT-ZYHUDNBSSA-N 1 0 346.409 -1.269 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099704038 786307100 /nfs/dbraw/zinc/30/71/00/786307100.db2.gz FHEKAYRPJPEECV-KBPBESRZSA-N 1 0 343.424 -1.273 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099704039 786306930 /nfs/dbraw/zinc/30/69/30/786306930.db2.gz FHEKAYRPJPEECV-KGLIPLIRSA-N 1 0 343.424 -1.273 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099704040 786306915 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CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099747525 792141067 /nfs/dbraw/zinc/14/10/67/792141067.db2.gz ZLPDJNHJPGDFAH-QWHCGFSZSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099747527 792143052 /nfs/dbraw/zinc/14/30/52/792143052.db2.gz ZLPDJNHJPGDFAH-STQMWFEESA-N 1 0 340.424 -1.314 20 0 EAADRO Nc1nccnc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099748640 792141569 /nfs/dbraw/zinc/14/15/69/792141569.db2.gz ADVVXCPOFVTIEZ-GHMZBOCLSA-N 1 0 325.369 -1.767 20 0 EAADRO Nc1nccnc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099748641 792142751 /nfs/dbraw/zinc/14/27/51/792142751.db2.gz ADVVXCPOFVTIEZ-MNOVXSKESA-N 1 0 325.369 -1.767 20 0 EAADRO Nc1nccnc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099748642 786320267 /nfs/dbraw/zinc/32/02/67/786320267.db2.gz ADVVXCPOFVTIEZ-QWRGUYRKSA-N 1 0 325.369 -1.767 20 0 EAADRO Nc1nccnc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099748643 786320355 /nfs/dbraw/zinc/32/03/55/786320355.db2.gz 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COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099750197 792142481 /nfs/dbraw/zinc/14/24/81/792142481.db2.gz NQMYXZFNFVMEAA-OLZOCXBDSA-N 1 0 341.412 -1.048 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099750198 786318855 /nfs/dbraw/zinc/31/88/55/786318855.db2.gz NQMYXZFNFVMEAA-QWHCGFSZSA-N 1 0 341.412 -1.048 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099750199 786318033 /nfs/dbraw/zinc/31/80/33/786318033.db2.gz NQMYXZFNFVMEAA-STQMWFEESA-N 1 0 341.412 -1.048 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099750686 792142858 /nfs/dbraw/zinc/14/28/58/792142858.db2.gz RUNHYKZODYEUDK-NEPJUHHUSA-N 1 0 339.396 -1.113 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099750687 792142161 /nfs/dbraw/zinc/14/21/61/792142161.db2.gz RUNHYKZODYEUDK-NWDGAFQWSA-N 1 0 339.396 -1.113 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099750688 792143038 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Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)o1 ZINC001099801522 786333473 /nfs/dbraw/zinc/33/34/73/786333473.db2.gz GMQBWWONGJWUAX-RYUDHWBXSA-N 1 0 328.369 -1.519 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)o1 ZINC001099801523 786334110 /nfs/dbraw/zinc/33/41/10/786334110.db2.gz GMQBWWONGJWUAX-VXGBXAGGSA-N 1 0 328.369 -1.519 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001099801636 786334231 /nfs/dbraw/zinc/33/42/31/786334231.db2.gz ICRIQEMDGFEXLX-NEPJUHHUSA-N 1 0 327.385 -1.357 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001099801637 786334795 /nfs/dbraw/zinc/33/47/95/786334795.db2.gz ICRIQEMDGFEXLX-NWDGAFQWSA-N 1 0 327.385 -1.357 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001099801638 786333532 /nfs/dbraw/zinc/33/35/32/786333532.db2.gz ICRIQEMDGFEXLX-RYUDHWBXSA-N 1 0 327.385 -1.357 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001099801639 786334366 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COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001099802461 792181100 /nfs/dbraw/zinc/18/11/00/792181100.db2.gz WHHWGBFTCNDNBY-DGCLKSJQSA-N 1 0 327.385 -1.357 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001099802462 792181031 /nfs/dbraw/zinc/18/10/31/792181031.db2.gz WHHWGBFTCNDNBY-WCQYABFASA-N 1 0 327.385 -1.357 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001099802463 792181688 /nfs/dbraw/zinc/18/16/88/792181688.db2.gz WHHWGBFTCNDNBY-YPMHNXCESA-N 1 0 327.385 -1.357 20 0 EAADRO O=C(CCc1ncc[nH]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099804900 792184490 /nfs/dbraw/zinc/18/44/90/792184490.db2.gz TWVHINILCBNFKA-CHWSQXEVSA-N 1 0 326.397 -1.097 20 0 EAADRO O=C(CCc1ncc[nH]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099804901 792184613 /nfs/dbraw/zinc/18/46/13/792184613.db2.gz TWVHINILCBNFKA-OLZOCXBDSA-N 1 0 326.397 -1.097 20 0 EAADRO O=C(CCc1ncc[nH]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099804902 792182641 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CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099862822 792206983 /nfs/dbraw/zinc/20/69/83/792206983.db2.gz CLNATEMKHUIHAT-RYUDHWBXSA-N 1 0 341.412 -1.911 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099862823 792206592 /nfs/dbraw/zinc/20/65/92/792206592.db2.gz CLNATEMKHUIHAT-VXGBXAGGSA-N 1 0 341.412 -1.911 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099862960 786424141 /nfs/dbraw/zinc/42/41/41/786424141.db2.gz GHMGQCAVBPVUTR-CHWSQXEVSA-N 1 0 347.412 -2.301 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099862961 786423435 /nfs/dbraw/zinc/42/34/35/786423435.db2.gz GHMGQCAVBPVUTR-OLZOCXBDSA-N 1 0 347.412 -2.301 20 0 EAADRO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099862962 786423784 /nfs/dbraw/zinc/42/37/84/786423784.db2.gz GHMGQCAVBPVUTR-QWHCGFSZSA-N 1 0 347.412 -2.301 20 0 EAADRO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099862963 786423195 /nfs/dbraw/zinc/42/31/95/786423195.db2.gz GHMGQCAVBPVUTR-STQMWFEESA-N 1 0 347.412 -2.301 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099863008 786423694 /nfs/dbraw/zinc/42/36/94/786423694.db2.gz HBYFXYDYPGVPBP-CHWSQXEVSA-N 1 0 331.413 -1.273 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099863009 786423971 /nfs/dbraw/zinc/42/39/71/786423971.db2.gz HBYFXYDYPGVPBP-OLZOCXBDSA-N 1 0 331.413 -1.273 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099863010 786423760 /nfs/dbraw/zinc/42/37/60/786423760.db2.gz HBYFXYDYPGVPBP-QWHCGFSZSA-N 1 0 331.413 -1.273 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099863011 786423800 /nfs/dbraw/zinc/42/38/00/786423800.db2.gz HBYFXYDYPGVPBP-STQMWFEESA-N 1 0 331.413 -1.273 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099863016 786424015 /nfs/dbraw/zinc/42/40/15/786424015.db2.gz HDYXKFAXEWUOSS-CHWSQXEVSA-N 1 0 331.413 -1.321 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099863017 786423413 /nfs/dbraw/zinc/42/34/13/786423413.db2.gz HDYXKFAXEWUOSS-OLZOCXBDSA-N 1 0 331.413 -1.321 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099863018 786424040 /nfs/dbraw/zinc/42/40/40/786424040.db2.gz HDYXKFAXEWUOSS-QWHCGFSZSA-N 1 0 331.413 -1.321 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099863019 786424124 /nfs/dbraw/zinc/42/41/24/786424124.db2.gz HDYXKFAXEWUOSS-STQMWFEESA-N 1 0 331.413 -1.321 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001099863040 792209376 /nfs/dbraw/zinc/20/93/76/792209376.db2.gz HOAREQUQSGDHDR-CHWSQXEVSA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001099863041 792209665 /nfs/dbraw/zinc/20/96/65/792209665.db2.gz HOAREQUQSGDHDR-OLZOCXBDSA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001099863042 792208536 /nfs/dbraw/zinc/20/85/36/792208536.db2.gz HOAREQUQSGDHDR-QWHCGFSZSA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001099863043 792208879 /nfs/dbraw/zinc/20/88/79/792208879.db2.gz HOAREQUQSGDHDR-STQMWFEESA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001099863060 792209163 /nfs/dbraw/zinc/20/91/63/792209163.db2.gz HULBLINVGYQLRL-CHWSQXEVSA-N 1 0 338.412 -1.557 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001099863061 792208745 /nfs/dbraw/zinc/20/87/45/792208745.db2.gz HULBLINVGYQLRL-OLZOCXBDSA-N 1 0 338.412 -1.557 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001099863062 792208258 /nfs/dbraw/zinc/20/82/58/792208258.db2.gz HULBLINVGYQLRL-QWHCGFSZSA-N 1 0 338.412 -1.557 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001099863063 792209443 /nfs/dbraw/zinc/20/94/43/792209443.db2.gz HULBLINVGYQLRL-STQMWFEESA-N 1 0 338.412 -1.557 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099863152 792208829 /nfs/dbraw/zinc/20/88/29/792208829.db2.gz JBIJHYOKLXLVBM-CHWSQXEVSA-N 1 0 347.412 -2.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099863153 792209526 /nfs/dbraw/zinc/20/95/26/792209526.db2.gz JBIJHYOKLXLVBM-OLZOCXBDSA-N 1 0 347.412 -2.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099863154 792209394 /nfs/dbraw/zinc/20/93/94/792209394.db2.gz JBIJHYOKLXLVBM-QWHCGFSZSA-N 1 0 347.412 -2.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099863155 792209274 /nfs/dbraw/zinc/20/92/74/792209274.db2.gz JBIJHYOKLXLVBM-STQMWFEESA-N 1 0 347.412 -2.349 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCOCC(F)F)C[C@H]1O ZINC001099863156 792208910 /nfs/dbraw/zinc/20/89/10/792208910.db2.gz JCZDLDFQKCUWDA-NXEZZACHSA-N 1 0 338.355 -1.252 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001099863157 792208366 /nfs/dbraw/zinc/20/83/66/792208366.db2.gz JCZDLDFQKCUWDA-UWVGGRQHSA-N 1 0 338.355 -1.252 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCOCC(F)F)C[C@H]1O ZINC001099863158 792209099 /nfs/dbraw/zinc/20/90/99/792209099.db2.gz JCZDLDFQKCUWDA-VHSXEESVSA-N 1 0 338.355 -1.252 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001099863159 792209848 /nfs/dbraw/zinc/20/98/48/792209848.db2.gz JCZDLDFQKCUWDA-ZJUUUORDSA-N 1 0 338.355 -1.252 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099863756 792209513 /nfs/dbraw/zinc/20/95/13/792209513.db2.gz NUPQBIQJWVOSCJ-CHWSQXEVSA-N 1 0 331.413 -1.273 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099863757 792209605 /nfs/dbraw/zinc/20/96/05/792209605.db2.gz NUPQBIQJWVOSCJ-OLZOCXBDSA-N 1 0 331.413 -1.273 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099863758 792208727 /nfs/dbraw/zinc/20/87/27/792208727.db2.gz NUPQBIQJWVOSCJ-QWHCGFSZSA-N 1 0 331.413 -1.273 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099863759 786424223 /nfs/dbraw/zinc/42/42/23/786424223.db2.gz NUPQBIQJWVOSCJ-STQMWFEESA-N 1 0 331.413 -1.273 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001099863948 786423484 /nfs/dbraw/zinc/42/34/84/786423484.db2.gz OYSOTAMZDSCECJ-CHWSQXEVSA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001099863949 786423741 /nfs/dbraw/zinc/42/37/41/786423741.db2.gz OYSOTAMZDSCECJ-OLZOCXBDSA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001099863950 786423880 /nfs/dbraw/zinc/42/38/80/786423880.db2.gz OYSOTAMZDSCECJ-QWHCGFSZSA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001099863952 786423333 /nfs/dbraw/zinc/42/33/33/786423333.db2.gz OYSOTAMZDSCECJ-STQMWFEESA-N 1 0 328.413 -1.107 20 0 EAADRO CN(CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C(=O)C1CC1 ZINC001099863983 792209002 /nfs/dbraw/zinc/20/90/02/792209002.db2.gz PBFCDZDXFOGDHX-KBPBESRZSA-N 1 0 343.424 -1.585 20 0 EAADRO CN(CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C(=O)C1CC1 ZINC001099863986 792209243 /nfs/dbraw/zinc/20/92/43/792209243.db2.gz PBFCDZDXFOGDHX-KGLIPLIRSA-N 1 0 343.424 -1.585 20 0 EAADRO CN(CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)C(=O)C1CC1 ZINC001099863988 786423306 /nfs/dbraw/zinc/42/33/06/786423306.db2.gz PBFCDZDXFOGDHX-UONOGXRCSA-N 1 0 343.424 -1.585 20 0 EAADRO CN(CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)C(=O)C1CC1 ZINC001099863991 786423710 /nfs/dbraw/zinc/42/37/10/786423710.db2.gz PBFCDZDXFOGDHX-ZIAGYGMSSA-N 1 0 343.424 -1.585 20 0 EAADRO O=C(CCNC(=O)c1ccncc1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099864990 792209716 /nfs/dbraw/zinc/20/97/16/792209716.db2.gz WXOOBYQMLHOXFF-KBPBESRZSA-N 1 0 336.392 -1.255 20 0 EAADRO O=C(CCNC(=O)c1ccncc1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099864991 792209489 /nfs/dbraw/zinc/20/94/89/792209489.db2.gz WXOOBYQMLHOXFF-KGLIPLIRSA-N 1 0 336.392 -1.255 20 0 EAADRO O=C(CCNC(=O)c1ccncc1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099864992 792208408 /nfs/dbraw/zinc/20/84/08/792208408.db2.gz WXOOBYQMLHOXFF-UONOGXRCSA-N 1 0 336.392 -1.255 20 0 EAADRO O=C(CCNC(=O)c1ccncc1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099864993 792208491 /nfs/dbraw/zinc/20/84/91/792208491.db2.gz WXOOBYQMLHOXFF-ZIAGYGMSSA-N 1 0 336.392 -1.255 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099865122 786425051 /nfs/dbraw/zinc/42/50/51/786425051.db2.gz ZBXGZTXGEUVVTQ-CHWSQXEVSA-N 1 0 331.413 -1.321 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099865123 786425207 /nfs/dbraw/zinc/42/52/07/786425207.db2.gz ZBXGZTXGEUVVTQ-OLZOCXBDSA-N 1 0 331.413 -1.321 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099865124 786425286 /nfs/dbraw/zinc/42/52/86/786425286.db2.gz ZBXGZTXGEUVVTQ-QWHCGFSZSA-N 1 0 331.413 -1.321 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099865125 786425483 /nfs/dbraw/zinc/42/54/83/786425483.db2.gz ZBXGZTXGEUVVTQ-STQMWFEESA-N 1 0 331.413 -1.321 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001099865166 792210411 /nfs/dbraw/zinc/21/04/11/792210411.db2.gz ZVFZVTXGCWEYKZ-GHMZBOCLSA-N 1 0 325.373 -2.242 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001099865167 792211884 /nfs/dbraw/zinc/21/18/84/792211884.db2.gz ZVFZVTXGCWEYKZ-MNOVXSKESA-N 1 0 325.373 -2.242 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001099865168 792210989 /nfs/dbraw/zinc/21/09/89/792210989.db2.gz ZVFZVTXGCWEYKZ-QWRGUYRKSA-N 1 0 325.373 -2.242 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001099865169 792211418 /nfs/dbraw/zinc/21/14/18/792211418.db2.gz ZVFZVTXGCWEYKZ-WDEREUQCSA-N 1 0 325.373 -2.242 20 0 EAADRO Cc1c(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cnn1C ZINC001099868710 792210353 /nfs/dbraw/zinc/21/03/53/792210353.db2.gz DJSCDRHKXKVUQS-CABCVRRESA-N 1 0 340.424 -1.169 20 0 EAADRO Cc1c(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cnn1C ZINC001099868711 792211861 /nfs/dbraw/zinc/21/18/61/792211861.db2.gz DJSCDRHKXKVUQS-GJZGRUSLSA-N 1 0 340.424 -1.169 20 0 EAADRO Cc1c(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)cnn1C ZINC001099868712 792211018 /nfs/dbraw/zinc/21/10/18/792211018.db2.gz DJSCDRHKXKVUQS-HUUCEWRRSA-N 1 0 340.424 -1.169 20 0 EAADRO Cc1c(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)cnn1C ZINC001099868713 792211346 /nfs/dbraw/zinc/21/13/46/792211346.db2.gz DJSCDRHKXKVUQS-LSDHHAIUSA-N 1 0 340.424 -1.169 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1ccnc2ccnn21 ZINC001099869386 792210805 /nfs/dbraw/zinc/21/08/05/792210805.db2.gz OQFPORSUFGTWRX-GXTWGEPZSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1ccnc2ccnn21 ZINC001099869387 792212096 /nfs/dbraw/zinc/21/20/96/792212096.db2.gz OQFPORSUFGTWRX-JSGCOSHPSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1ccnc2ccnn21 ZINC001099869388 792210949 /nfs/dbraw/zinc/21/09/49/792210949.db2.gz OQFPORSUFGTWRX-OCCSQVGLSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1ccnc2ccnn21 ZINC001099869389 792211233 /nfs/dbraw/zinc/21/12/33/792211233.db2.gz OQFPORSUFGTWRX-TZMCWYRMSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(CCCn1ccnn1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099869746 792211994 /nfs/dbraw/zinc/21/19/94/792211994.db2.gz UVFFGWXVDTUMJV-KBPBESRZSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(CCCn1ccnn1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099869747 792211438 /nfs/dbraw/zinc/21/14/38/792211438.db2.gz UVFFGWXVDTUMJV-KGLIPLIRSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(CCCn1ccnn1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099869748 792212682 /nfs/dbraw/zinc/21/26/82/792212682.db2.gz UVFFGWXVDTUMJV-UONOGXRCSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(CCCn1ccnn1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099869749 792212854 /nfs/dbraw/zinc/21/28/54/792212854.db2.gz UVFFGWXVDTUMJV-ZIAGYGMSSA-N 1 0 348.411 -1.099 20 0 EAADRO CCn1nnc(C)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099869866 792213223 /nfs/dbraw/zinc/21/32/23/792213223.db2.gz WRGMEIGHAAYRBN-CHWSQXEVSA-N 1 0 341.412 -1.220 20 0 EAADRO CCn1nnc(C)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099869867 792213820 /nfs/dbraw/zinc/21/38/20/792213820.db2.gz WRGMEIGHAAYRBN-OLZOCXBDSA-N 1 0 341.412 -1.220 20 0 EAADRO CCn1nnc(C)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099869868 792213494 /nfs/dbraw/zinc/21/34/94/792213494.db2.gz WRGMEIGHAAYRBN-QWHCGFSZSA-N 1 0 341.412 -1.220 20 0 EAADRO CCn1nnc(C)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099869869 792213532 /nfs/dbraw/zinc/21/35/32/792213532.db2.gz WRGMEIGHAAYRBN-STQMWFEESA-N 1 0 341.412 -1.220 20 0 EAADRO O=C(CCCn1ccnn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099869966 792212771 /nfs/dbraw/zinc/21/27/71/792212771.db2.gz YKMRTTPJMDODJD-KBPBESRZSA-N 1 0 341.412 -1.381 20 0 EAADRO O=C(CCCn1ccnn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099869967 792214214 /nfs/dbraw/zinc/21/42/14/792214214.db2.gz YKMRTTPJMDODJD-KGLIPLIRSA-N 1 0 341.412 -1.381 20 0 EAADRO O=C(CCCn1ccnn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099869968 792213450 /nfs/dbraw/zinc/21/34/50/792213450.db2.gz YKMRTTPJMDODJD-UONOGXRCSA-N 1 0 341.412 -1.381 20 0 EAADRO O=C(CCCn1ccnn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099869969 792213367 /nfs/dbraw/zinc/21/33/67/792213367.db2.gz YKMRTTPJMDODJD-ZIAGYGMSSA-N 1 0 341.412 -1.381 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099871240 792214709 /nfs/dbraw/zinc/21/47/09/792214709.db2.gz AURAZRWIVBXJJG-GHMZBOCLSA-N 1 0 341.412 -1.783 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099871241 792214809 /nfs/dbraw/zinc/21/48/09/792214809.db2.gz AURAZRWIVBXJJG-MNOVXSKESA-N 1 0 341.412 -1.783 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099871242 792213121 /nfs/dbraw/zinc/21/31/21/792213121.db2.gz AURAZRWIVBXJJG-QWRGUYRKSA-N 1 0 341.412 -1.783 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099871243 792213025 /nfs/dbraw/zinc/21/30/25/792213025.db2.gz AURAZRWIVBXJJG-WDEREUQCSA-N 1 0 341.412 -1.783 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001099871492 792213237 /nfs/dbraw/zinc/21/32/37/792213237.db2.gz FSMKQCYJAGORTK-NEPJUHHUSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](O)C2)n1 ZINC001099871493 792213476 /nfs/dbraw/zinc/21/34/76/792213476.db2.gz FSMKQCYJAGORTK-NWDGAFQWSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001099871494 792214506 /nfs/dbraw/zinc/21/45/06/792214506.db2.gz FSMKQCYJAGORTK-RYUDHWBXSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](O)C2)n1 ZINC001099871495 792213773 /nfs/dbraw/zinc/21/37/73/792213773.db2.gz FSMKQCYJAGORTK-VXGBXAGGSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872608 792213007 /nfs/dbraw/zinc/21/30/07/792213007.db2.gz XBSOZRAQJHRPED-NEPJUHHUSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872609 792213209 /nfs/dbraw/zinc/21/32/09/792213209.db2.gz XBSOZRAQJHRPED-NWDGAFQWSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872610 792213467 /nfs/dbraw/zinc/21/34/67/792213467.db2.gz XBSOZRAQJHRPED-RYUDHWBXSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872611 792213059 /nfs/dbraw/zinc/21/30/59/792213059.db2.gz XBSOZRAQJHRPED-VXGBXAGGSA-N 1 0 337.428 -1.254 20 0 EAADRO O=C(CCc1c[nH]cn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099872680 792212717 /nfs/dbraw/zinc/21/27/17/792212717.db2.gz YKJADKBLXGJUIK-KBPBESRZSA-N 1 0 326.397 -1.097 20 0 EAADRO O=C(CCc1c[nH]cn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099872681 792214275 /nfs/dbraw/zinc/21/42/75/792214275.db2.gz YKJADKBLXGJUIK-KGLIPLIRSA-N 1 0 326.397 -1.097 20 0 EAADRO O=C(CCc1c[nH]cn1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099872682 792213924 /nfs/dbraw/zinc/21/39/24/792213924.db2.gz YKJADKBLXGJUIK-UONOGXRCSA-N 1 0 326.397 -1.097 20 0 EAADRO O=C(CCc1c[nH]cn1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099872683 792212516 /nfs/dbraw/zinc/21/25/16/792212516.db2.gz YKJADKBLXGJUIK-ZIAGYGMSSA-N 1 0 326.397 -1.097 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cnn2ccncc12 ZINC001099876620 792215364 /nfs/dbraw/zinc/21/53/64/792215364.db2.gz HCLTYAUGABGDFA-DZGCQCFKSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cnn2ccncc12 ZINC001099876621 792215497 /nfs/dbraw/zinc/21/54/97/792215497.db2.gz HCLTYAUGABGDFA-HIFRSBDPSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cnn2ccncc12 ZINC001099876622 792217063 /nfs/dbraw/zinc/21/70/63/792217063.db2.gz HCLTYAUGABGDFA-UKRRQHHQSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cnn2ccncc12 ZINC001099876623 792217349 /nfs/dbraw/zinc/21/73/49/792217349.db2.gz HCLTYAUGABGDFA-ZFWWWQNUSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC001099876700 792215715 /nfs/dbraw/zinc/21/57/15/792215715.db2.gz IUKUBZXZRZHSED-AAEUAGOBSA-N 1 0 340.380 -1.551 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC001099876701 792216231 /nfs/dbraw/zinc/21/62/31/792216231.db2.gz IUKUBZXZRZHSED-DGCLKSJQSA-N 1 0 340.380 -1.551 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC001099876702 792216479 /nfs/dbraw/zinc/21/64/79/792216479.db2.gz IUKUBZXZRZHSED-WCQYABFASA-N 1 0 340.380 -1.551 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC001099876703 792216179 /nfs/dbraw/zinc/21/61/79/792216179.db2.gz IUKUBZXZRZHSED-YPMHNXCESA-N 1 0 340.380 -1.551 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099876756 787507692 /nfs/dbraw/zinc/50/76/92/787507692.db2.gz JSWSZBYXDQGKGO-CHWSQXEVSA-N 1 0 329.397 -1.567 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099876757 787507100 /nfs/dbraw/zinc/50/71/00/787507100.db2.gz JSWSZBYXDQGKGO-OLZOCXBDSA-N 1 0 329.397 -1.567 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099876758 787507433 /nfs/dbraw/zinc/50/74/33/787507433.db2.gz JSWSZBYXDQGKGO-QWHCGFSZSA-N 1 0 329.397 -1.567 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099876759 787506979 /nfs/dbraw/zinc/50/69/79/787506979.db2.gz JSWSZBYXDQGKGO-STQMWFEESA-N 1 0 329.397 -1.567 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099876932 792215813 /nfs/dbraw/zinc/21/58/13/792215813.db2.gz MMPDZLUJRPHMOF-KBPBESRZSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099876933 792216988 /nfs/dbraw/zinc/21/69/88/792216988.db2.gz MMPDZLUJRPHMOF-KGLIPLIRSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099876934 792215665 /nfs/dbraw/zinc/21/56/65/792215665.db2.gz MMPDZLUJRPHMOF-UONOGXRCSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099876935 792216443 /nfs/dbraw/zinc/21/64/43/792216443.db2.gz MMPDZLUJRPHMOF-ZIAGYGMSSA-N 1 0 343.424 -1.178 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099876948 792216131 /nfs/dbraw/zinc/21/61/31/792216131.db2.gz MPEFFURRXQQSCO-CHWSQXEVSA-N 1 0 345.396 -2.595 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099876949 792216730 /nfs/dbraw/zinc/21/67/30/792216730.db2.gz MPEFFURRXQQSCO-OLZOCXBDSA-N 1 0 345.396 -2.595 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099876950 792216417 /nfs/dbraw/zinc/21/64/17/792216417.db2.gz MPEFFURRXQQSCO-QWHCGFSZSA-N 1 0 345.396 -2.595 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099876951 792215276 /nfs/dbraw/zinc/21/52/76/792215276.db2.gz MPEFFURRXQQSCO-STQMWFEESA-N 1 0 345.396 -2.595 20 0 EAADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099877348 792217166 /nfs/dbraw/zinc/21/71/66/792217166.db2.gz SXAAELCPUVXNQN-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099877349 792216249 /nfs/dbraw/zinc/21/62/49/792216249.db2.gz SXAAELCPUVXNQN-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099877350 792216552 /nfs/dbraw/zinc/21/65/52/792216552.db2.gz SXAAELCPUVXNQN-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099877351 787509023 /nfs/dbraw/zinc/50/90/23/787509023.db2.gz SXAAELCPUVXNQN-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099877380 787508748 /nfs/dbraw/zinc/50/87/48/787508748.db2.gz UDFNLBYBOPZONE-CHWSQXEVSA-N 1 0 329.397 -1.567 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099877381 787508761 /nfs/dbraw/zinc/50/87/61/787508761.db2.gz UDFNLBYBOPZONE-OLZOCXBDSA-N 1 0 329.397 -1.567 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099877382 787508534 /nfs/dbraw/zinc/50/85/34/787508534.db2.gz UDFNLBYBOPZONE-QWHCGFSZSA-N 1 0 329.397 -1.567 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099877383 787509378 /nfs/dbraw/zinc/50/93/78/787509378.db2.gz UDFNLBYBOPZONE-STQMWFEESA-N 1 0 329.397 -1.567 20 0 EAADRO COCCCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099877552 792216262 /nfs/dbraw/zinc/21/62/62/792216262.db2.gz WMLZYANRLPWQMR-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001099877553 792217216 /nfs/dbraw/zinc/21/72/16/792217216.db2.gz WMLZYANRLPWQMR-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099877554 792216316 /nfs/dbraw/zinc/21/63/16/792216316.db2.gz WMLZYANRLPWQMR-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001099877555 792216326 /nfs/dbraw/zinc/21/63/26/792216326.db2.gz WMLZYANRLPWQMR-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO C[N@H+](CC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879000 792216380 /nfs/dbraw/zinc/21/63/80/792216380.db2.gz CSRYJGJEFAYBHW-NEPJUHHUSA-N 1 0 341.412 -1.783 20 0 EAADRO C[N@H+](CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879001 792216605 /nfs/dbraw/zinc/21/66/05/792216605.db2.gz CSRYJGJEFAYBHW-NWDGAFQWSA-N 1 0 341.412 -1.783 20 0 EAADRO C[N@H+](CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879002 792215560 /nfs/dbraw/zinc/21/55/60/792215560.db2.gz CSRYJGJEFAYBHW-RYUDHWBXSA-N 1 0 341.412 -1.783 20 0 EAADRO C[N@H+](CC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879003 792216052 /nfs/dbraw/zinc/21/60/52/792216052.db2.gz CSRYJGJEFAYBHW-VXGBXAGGSA-N 1 0 341.412 -1.783 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](O)C2)n1 ZINC001099879788 792215941 /nfs/dbraw/zinc/21/59/41/792215941.db2.gz PTBJAOBERNPYBM-CHWSQXEVSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001099879789 792216864 /nfs/dbraw/zinc/21/68/64/792216864.db2.gz PTBJAOBERNPYBM-OLZOCXBDSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](O)C2)n1 ZINC001099879790 792215836 /nfs/dbraw/zinc/21/58/36/792215836.db2.gz PTBJAOBERNPYBM-QWHCGFSZSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001099879791 792219127 /nfs/dbraw/zinc/21/91/27/792219127.db2.gz PTBJAOBERNPYBM-STQMWFEESA-N 1 0 337.428 -1.254 20 0 EAADRO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099879924 792218561 /nfs/dbraw/zinc/21/85/61/792218561.db2.gz RWBXJWOZWZAQIN-CABCVRRESA-N 1 0 340.424 -1.169 20 0 EAADRO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099879925 792218537 /nfs/dbraw/zinc/21/85/37/792218537.db2.gz RWBXJWOZWZAQIN-GJZGRUSLSA-N 1 0 340.424 -1.169 20 0 EAADRO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099879926 792219231 /nfs/dbraw/zinc/21/92/31/792219231.db2.gz RWBXJWOZWZAQIN-HUUCEWRRSA-N 1 0 340.424 -1.169 20 0 EAADRO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099879927 792218418 /nfs/dbraw/zinc/21/84/18/792218418.db2.gz RWBXJWOZWZAQIN-LSDHHAIUSA-N 1 0 340.424 -1.169 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cc1=O ZINC001099880004 792219449 /nfs/dbraw/zinc/21/94/49/792219449.db2.gz UAZWLBRTSSQRFY-AAEUAGOBSA-N 1 0 340.380 -2.046 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)cc1=O ZINC001099880005 792219161 /nfs/dbraw/zinc/21/91/61/792219161.db2.gz UAZWLBRTSSQRFY-DGCLKSJQSA-N 1 0 340.380 -2.046 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)cc1=O ZINC001099880006 792218616 /nfs/dbraw/zinc/21/86/16/792218616.db2.gz UAZWLBRTSSQRFY-WCQYABFASA-N 1 0 340.380 -2.046 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cc1=O ZINC001099880007 792217878 /nfs/dbraw/zinc/21/78/78/792217878.db2.gz UAZWLBRTSSQRFY-YPMHNXCESA-N 1 0 340.380 -2.046 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cnn2ncccc12 ZINC001099880060 792219187 /nfs/dbraw/zinc/21/91/87/792219187.db2.gz URIDROKVDFGZNV-DZGCQCFKSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cnn2ncccc12 ZINC001099880061 792218411 /nfs/dbraw/zinc/21/84/11/792218411.db2.gz URIDROKVDFGZNV-HIFRSBDPSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cnn2ncccc12 ZINC001099880062 792218625 /nfs/dbraw/zinc/21/86/25/792218625.db2.gz URIDROKVDFGZNV-UKRRQHHQSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cnn2ncccc12 ZINC001099880063 792218235 /nfs/dbraw/zinc/21/82/35/792218235.db2.gz URIDROKVDFGZNV-ZFWWWQNUSA-N 1 0 349.391 -1.097 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880248 792218796 /nfs/dbraw/zinc/21/87/96/792218796.db2.gz XDLMVFPYUCTLNJ-CHWSQXEVSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880249 792218967 /nfs/dbraw/zinc/21/89/67/792218967.db2.gz XDLMVFPYUCTLNJ-OLZOCXBDSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880250 792219305 /nfs/dbraw/zinc/21/93/05/792219305.db2.gz XDLMVFPYUCTLNJ-QWHCGFSZSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880251 792218527 /nfs/dbraw/zinc/21/85/27/792218527.db2.gz XDLMVFPYUCTLNJ-STQMWFEESA-N 1 0 337.428 -1.254 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001099885074 792219839 /nfs/dbraw/zinc/21/98/39/792219839.db2.gz HVCRYDRMAIIJAO-NEPJUHHUSA-N 1 0 326.353 -1.644 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001099885075 792221495 /nfs/dbraw/zinc/22/14/95/792221495.db2.gz HVCRYDRMAIIJAO-NWDGAFQWSA-N 1 0 326.353 -1.644 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001099885076 792220894 /nfs/dbraw/zinc/22/08/94/792220894.db2.gz HVCRYDRMAIIJAO-RYUDHWBXSA-N 1 0 326.353 -1.644 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001099885077 792220458 /nfs/dbraw/zinc/22/04/58/792220458.db2.gz HVCRYDRMAIIJAO-VXGBXAGGSA-N 1 0 326.353 -1.644 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099885406 792220333 /nfs/dbraw/zinc/22/03/33/792220333.db2.gz MHQYBDMKEWDYCL-GHMZBOCLSA-N 1 0 328.369 -1.402 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099885407 787515809 /nfs/dbraw/zinc/51/58/09/787515809.db2.gz MHQYBDMKEWDYCL-MNOVXSKESA-N 1 0 328.369 -1.402 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099885408 787517144 /nfs/dbraw/zinc/51/71/44/787517144.db2.gz MHQYBDMKEWDYCL-QWRGUYRKSA-N 1 0 328.369 -1.402 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099885409 787517053 /nfs/dbraw/zinc/51/70/53/787517053.db2.gz MHQYBDMKEWDYCL-WDEREUQCSA-N 1 0 328.369 -1.402 20 0 EAADRO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099885722 792221012 /nfs/dbraw/zinc/22/10/12/792221012.db2.gz RKRWYBCDHUZPLJ-CHWSQXEVSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099885723 792220826 /nfs/dbraw/zinc/22/08/26/792220826.db2.gz RKRWYBCDHUZPLJ-OLZOCXBDSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099885724 792221202 /nfs/dbraw/zinc/22/12/02/792221202.db2.gz RKRWYBCDHUZPLJ-QWHCGFSZSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099885725 792220916 /nfs/dbraw/zinc/22/09/16/792220916.db2.gz RKRWYBCDHUZPLJ-STQMWFEESA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)no1 ZINC001099886030 792220480 /nfs/dbraw/zinc/22/04/80/792220480.db2.gz XRUVFTOUFBFHLB-CHWSQXEVSA-N 1 0 343.380 -1.078 20 0 EAADRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)no1 ZINC001099886031 792221390 /nfs/dbraw/zinc/22/13/90/792221390.db2.gz XRUVFTOUFBFHLB-OLZOCXBDSA-N 1 0 343.380 -1.078 20 0 EAADRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)no1 ZINC001099886032 792220642 /nfs/dbraw/zinc/22/06/42/792220642.db2.gz XRUVFTOUFBFHLB-QWHCGFSZSA-N 1 0 343.380 -1.078 20 0 EAADRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)no1 ZINC001099886033 792221435 /nfs/dbraw/zinc/22/14/35/792221435.db2.gz XRUVFTOUFBFHLB-STQMWFEESA-N 1 0 343.380 -1.078 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cnc[nH]c1=O ZINC001099887410 792222623 /nfs/dbraw/zinc/22/26/23/792222623.db2.gz DUNSEHLVIWFCHJ-NEPJUHHUSA-N 1 0 326.353 -1.644 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cnc[nH]c1=O ZINC001099887411 792222823 /nfs/dbraw/zinc/22/28/23/792222823.db2.gz DUNSEHLVIWFCHJ-NWDGAFQWSA-N 1 0 326.353 -1.644 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1cnc[nH]c1=O ZINC001099887412 792224585 /nfs/dbraw/zinc/22/45/85/792224585.db2.gz DUNSEHLVIWFCHJ-RYUDHWBXSA-N 1 0 326.353 -1.644 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1cnc[nH]c1=O ZINC001099887413 792222886 /nfs/dbraw/zinc/22/28/86/792222886.db2.gz DUNSEHLVIWFCHJ-VXGBXAGGSA-N 1 0 326.353 -1.644 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099887418 792222572 /nfs/dbraw/zinc/22/25/72/792222572.db2.gz DXDLPCSHYNTDRO-NEPJUHHUSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887419 792222946 /nfs/dbraw/zinc/22/29/46/792222946.db2.gz DXDLPCSHYNTDRO-NWDGAFQWSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099887420 792223193 /nfs/dbraw/zinc/22/31/93/792223193.db2.gz DXDLPCSHYNTDRO-RYUDHWBXSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887421 792223516 /nfs/dbraw/zinc/22/35/16/792223516.db2.gz DXDLPCSHYNTDRO-VXGBXAGGSA-N 1 0 331.413 -1.288 20 0 EAADRO CC(C)NC(=O)CN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887825 787547785 /nfs/dbraw/zinc/54/77/85/787547785.db2.gz LEWAZOJVBHHBMH-WDEREUQCSA-N 1 0 328.413 -1.426 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099887958 792223683 /nfs/dbraw/zinc/22/36/83/792223683.db2.gz MVXRYGKFXOUEMF-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099887959 792223180 /nfs/dbraw/zinc/22/31/80/792223180.db2.gz MVXRYGKFXOUEMF-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099887960 792222400 /nfs/dbraw/zinc/22/24/00/792222400.db2.gz MVXRYGKFXOUEMF-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099887961 792223584 /nfs/dbraw/zinc/22/35/84/792223584.db2.gz MVXRYGKFXOUEMF-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099888070 792224123 /nfs/dbraw/zinc/22/41/23/792224123.db2.gz OQYDVBSMDOTDHT-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099888071 792223132 /nfs/dbraw/zinc/22/31/32/792223132.db2.gz OQYDVBSMDOTDHT-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099888072 792223149 /nfs/dbraw/zinc/22/31/49/792223149.db2.gz OQYDVBSMDOTDHT-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099888073 792224563 /nfs/dbraw/zinc/22/45/63/792224563.db2.gz OQYDVBSMDOTDHT-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO Cn1ccnc1COCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099888206 792226923 /nfs/dbraw/zinc/22/69/23/792226923.db2.gz QQDAFJQYURJNDK-CHWSQXEVSA-N 1 0 326.397 -1.130 20 0 EAADRO Cn1ccnc1COCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099888207 792226160 /nfs/dbraw/zinc/22/61/60/792226160.db2.gz QQDAFJQYURJNDK-OLZOCXBDSA-N 1 0 326.397 -1.130 20 0 EAADRO Cn1ccnc1COCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099888208 792225355 /nfs/dbraw/zinc/22/53/55/792225355.db2.gz QQDAFJQYURJNDK-QWHCGFSZSA-N 1 0 326.397 -1.130 20 0 EAADRO Cn1ccnc1COCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099888209 792225214 /nfs/dbraw/zinc/22/52/14/792225214.db2.gz QQDAFJQYURJNDK-STQMWFEESA-N 1 0 326.397 -1.130 20 0 EAADRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)[nH]n1 ZINC001099889484 792225482 /nfs/dbraw/zinc/22/54/82/792225482.db2.gz AMKYAKCTNMPNNL-AAEUAGOBSA-N 1 0 342.396 -1.018 20 0 EAADRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)[nH]n1 ZINC001099889485 792226356 /nfs/dbraw/zinc/22/63/56/792226356.db2.gz AMKYAKCTNMPNNL-DGCLKSJQSA-N 1 0 342.396 -1.018 20 0 EAADRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)[nH]n1 ZINC001099889486 792226040 /nfs/dbraw/zinc/22/60/40/792226040.db2.gz AMKYAKCTNMPNNL-WCQYABFASA-N 1 0 342.396 -1.018 20 0 EAADRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)[nH]n1 ZINC001099889487 792226403 /nfs/dbraw/zinc/22/64/03/792226403.db2.gz AMKYAKCTNMPNNL-YPMHNXCESA-N 1 0 342.396 -1.018 20 0 EAADRO Cn1nccc1COCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099890312 792225926 /nfs/dbraw/zinc/22/59/26/792225926.db2.gz QCGOVNRRMBHELI-KBPBESRZSA-N 1 0 326.397 -1.130 20 0 EAADRO Cn1nccc1COCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099890313 792225976 /nfs/dbraw/zinc/22/59/76/792225976.db2.gz QCGOVNRRMBHELI-KGLIPLIRSA-N 1 0 326.397 -1.130 20 0 EAADRO Cn1nccc1COCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099890314 787567001 /nfs/dbraw/zinc/56/70/01/787567001.db2.gz QCGOVNRRMBHELI-UONOGXRCSA-N 1 0 326.397 -1.130 20 0 EAADRO Cn1nccc1COCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099890315 787566565 /nfs/dbraw/zinc/56/65/65/787566565.db2.gz QCGOVNRRMBHELI-ZIAGYGMSSA-N 1 0 326.397 -1.130 20 0 EAADRO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099892565 792228160 /nfs/dbraw/zinc/22/81/60/792228160.db2.gz LTTLDCIFSLFGGL-CHWSQXEVSA-N 1 0 325.365 -1.153 20 0 EAADRO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099892566 792227809 /nfs/dbraw/zinc/22/78/09/792227809.db2.gz LTTLDCIFSLFGGL-OLZOCXBDSA-N 1 0 325.365 -1.153 20 0 EAADRO O=C(COCc1cc[nH]c(=O)c1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099892567 792228273 /nfs/dbraw/zinc/22/82/73/792228273.db2.gz LTTLDCIFSLFGGL-QWHCGFSZSA-N 1 0 325.365 -1.153 20 0 EAADRO O=C(COCc1cc[nH]c(=O)c1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099892568 792228749 /nfs/dbraw/zinc/22/87/49/792228749.db2.gz LTTLDCIFSLFGGL-STQMWFEESA-N 1 0 325.365 -1.153 20 0 EAADRO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cc1=O ZINC001099892949 792228779 /nfs/dbraw/zinc/22/87/79/792228779.db2.gz RSBYFAJDTKUBDF-KBPBESRZSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cc1=O ZINC001099892950 792228002 /nfs/dbraw/zinc/22/80/02/792228002.db2.gz RSBYFAJDTKUBDF-KGLIPLIRSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)cc1=O ZINC001099892951 792227400 /nfs/dbraw/zinc/22/74/00/792227400.db2.gz RSBYFAJDTKUBDF-UONOGXRCSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)cc1=O ZINC001099892952 792228965 /nfs/dbraw/zinc/22/89/65/792228965.db2.gz RSBYFAJDTKUBDF-ZIAGYGMSSA-N 1 0 339.392 -1.441 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O ZINC001099893341 792228294 /nfs/dbraw/zinc/22/82/94/792228294.db2.gz YFPAONKWAXRHJX-CHWSQXEVSA-N 1 0 342.440 -1.619 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001099893342 792227593 /nfs/dbraw/zinc/22/75/93/792227593.db2.gz YFPAONKWAXRHJX-OLZOCXBDSA-N 1 0 342.440 -1.619 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O ZINC001099893343 792228243 /nfs/dbraw/zinc/22/82/43/792228243.db2.gz YFPAONKWAXRHJX-QWHCGFSZSA-N 1 0 342.440 -1.619 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001099893344 792228024 /nfs/dbraw/zinc/22/80/24/792228024.db2.gz YFPAONKWAXRHJX-STQMWFEESA-N 1 0 342.440 -1.619 20 0 EAADRO COCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099893944 787581628 /nfs/dbraw/zinc/58/16/28/787581628.db2.gz BPINPURKKWWBQD-CHWSQXEVSA-N 1 0 341.412 -1.440 20 0 EAADRO COCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099893945 787582038 /nfs/dbraw/zinc/58/20/38/787582038.db2.gz BPINPURKKWWBQD-OLZOCXBDSA-N 1 0 341.412 -1.440 20 0 EAADRO COCCCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099893946 787582807 /nfs/dbraw/zinc/58/28/07/787582807.db2.gz BPINPURKKWWBQD-QWHCGFSZSA-N 1 0 341.412 -1.440 20 0 EAADRO COCCCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099893947 787581602 /nfs/dbraw/zinc/58/16/02/787581602.db2.gz BPINPURKKWWBQD-STQMWFEESA-N 1 0 341.412 -1.440 20 0 EAADRO CCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894048 792228669 /nfs/dbraw/zinc/22/86/69/792228669.db2.gz DKHSCXKHNIPWQL-CHWSQXEVSA-N 1 0 328.413 -1.410 20 0 EAADRO CCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894049 792228932 /nfs/dbraw/zinc/22/89/32/792228932.db2.gz DKHSCXKHNIPWQL-OLZOCXBDSA-N 1 0 328.413 -1.410 20 0 EAADRO CCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894050 792227551 /nfs/dbraw/zinc/22/75/51/792227551.db2.gz DKHSCXKHNIPWQL-QWHCGFSZSA-N 1 0 328.413 -1.410 20 0 EAADRO CCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894051 792227836 /nfs/dbraw/zinc/22/78/36/792227836.db2.gz DKHSCXKHNIPWQL-STQMWFEESA-N 1 0 328.413 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099894164 787582407 /nfs/dbraw/zinc/58/24/07/787582407.db2.gz GNPJKIFTCMDFBS-NEPJUHHUSA-N 1 0 330.385 -2.828 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099894165 787582640 /nfs/dbraw/zinc/58/26/40/787582640.db2.gz GNPJKIFTCMDFBS-NWDGAFQWSA-N 1 0 330.385 -2.828 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099894166 787582334 /nfs/dbraw/zinc/58/23/34/787582334.db2.gz GNPJKIFTCMDFBS-RYUDHWBXSA-N 1 0 330.385 -2.828 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099894167 787582027 /nfs/dbraw/zinc/58/20/27/787582027.db2.gz GNPJKIFTCMDFBS-VXGBXAGGSA-N 1 0 330.385 -2.828 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001099894180 792228651 /nfs/dbraw/zinc/22/86/51/792228651.db2.gz HAECTBCWPQNGIE-KBPBESRZSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001099894181 792228503 /nfs/dbraw/zinc/22/85/03/792228503.db2.gz HAECTBCWPQNGIE-KGLIPLIRSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001099894182 792227385 /nfs/dbraw/zinc/22/73/85/792227385.db2.gz HAECTBCWPQNGIE-UONOGXRCSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001099894183 792227738 /nfs/dbraw/zinc/22/77/38/792227738.db2.gz HAECTBCWPQNGIE-ZIAGYGMSSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894244 787584697 /nfs/dbraw/zinc/58/46/97/787584697.db2.gz HVOAOSRKJMTXAY-CHWSQXEVSA-N 1 0 341.412 -1.442 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894245 787584060 /nfs/dbraw/zinc/58/40/60/787584060.db2.gz HVOAOSRKJMTXAY-OLZOCXBDSA-N 1 0 341.412 -1.442 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894246 787585650 /nfs/dbraw/zinc/58/56/50/787585650.db2.gz HVOAOSRKJMTXAY-QWHCGFSZSA-N 1 0 341.412 -1.442 20 0 EAADRO CC(C)OCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894247 787584674 /nfs/dbraw/zinc/58/46/74/787584674.db2.gz HVOAOSRKJMTXAY-STQMWFEESA-N 1 0 341.412 -1.442 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)c1=O ZINC001099894280 792227647 /nfs/dbraw/zinc/22/76/47/792227647.db2.gz IMFJBLOHCABQLB-NEPJUHHUSA-N 1 0 343.384 -2.858 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1=O ZINC001099894281 792228047 /nfs/dbraw/zinc/22/80/47/792228047.db2.gz IMFJBLOHCABQLB-NWDGAFQWSA-N 1 0 343.384 -2.858 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)c1=O ZINC001099894282 792228353 /nfs/dbraw/zinc/22/83/53/792228353.db2.gz IMFJBLOHCABQLB-RYUDHWBXSA-N 1 0 343.384 -2.858 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1=O ZINC001099894283 792228332 /nfs/dbraw/zinc/22/83/32/792228332.db2.gz IMFJBLOHCABQLB-VXGBXAGGSA-N 1 0 343.384 -2.858 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894296 792228689 /nfs/dbraw/zinc/22/86/89/792228689.db2.gz IRLPLUFWUVXBBX-KBPBESRZSA-N 1 0 340.424 -1.244 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894297 792229721 /nfs/dbraw/zinc/22/97/21/792229721.db2.gz IRLPLUFWUVXBBX-KGLIPLIRSA-N 1 0 340.424 -1.244 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894298 792229883 /nfs/dbraw/zinc/22/98/83/792229883.db2.gz IRLPLUFWUVXBBX-UONOGXRCSA-N 1 0 340.424 -1.244 20 0 EAADRO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894299 792230657 /nfs/dbraw/zinc/23/06/57/792230657.db2.gz IRLPLUFWUVXBBX-ZIAGYGMSSA-N 1 0 340.424 -1.244 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001099894516 792229946 /nfs/dbraw/zinc/22/99/46/792229946.db2.gz LSMVUMAYRWPYQD-CHWSQXEVSA-N 1 0 328.413 -1.554 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001099894517 792230972 /nfs/dbraw/zinc/23/09/72/792230972.db2.gz LSMVUMAYRWPYQD-OLZOCXBDSA-N 1 0 328.413 -1.554 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001099894518 792230582 /nfs/dbraw/zinc/23/05/82/792230582.db2.gz LSMVUMAYRWPYQD-QWHCGFSZSA-N 1 0 328.413 -1.554 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001099894519 792229305 /nfs/dbraw/zinc/22/93/05/792229305.db2.gz LSMVUMAYRWPYQD-STQMWFEESA-N 1 0 328.413 -1.554 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099894540 787589353 /nfs/dbraw/zinc/58/93/53/787589353.db2.gz MDHLBNLCUWVPSD-CHWSQXEVSA-N 1 0 326.397 -1.800 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099894541 787590518 /nfs/dbraw/zinc/59/05/18/787590518.db2.gz MDHLBNLCUWVPSD-OLZOCXBDSA-N 1 0 326.397 -1.800 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099894542 787590558 /nfs/dbraw/zinc/59/05/58/787590558.db2.gz MDHLBNLCUWVPSD-QWHCGFSZSA-N 1 0 326.397 -1.800 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099894543 787590611 /nfs/dbraw/zinc/59/06/11/787590611.db2.gz MDHLBNLCUWVPSD-STQMWFEESA-N 1 0 326.397 -1.800 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894592 787591967 /nfs/dbraw/zinc/59/19/67/787591967.db2.gz MUJLGUAYQUZCEM-NEPJUHHUSA-N 1 0 327.385 -1.830 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894593 787591819 /nfs/dbraw/zinc/59/18/19/787591819.db2.gz MUJLGUAYQUZCEM-NWDGAFQWSA-N 1 0 327.385 -1.830 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894594 787592431 /nfs/dbraw/zinc/59/24/31/787592431.db2.gz MUJLGUAYQUZCEM-RYUDHWBXSA-N 1 0 327.385 -1.830 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894595 787591545 /nfs/dbraw/zinc/59/15/45/787591545.db2.gz MUJLGUAYQUZCEM-VXGBXAGGSA-N 1 0 327.385 -1.830 20 0 EAADRO CCCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894608 792230802 /nfs/dbraw/zinc/23/08/02/792230802.db2.gz NEKHNGSOQZUERO-KBPBESRZSA-N 1 0 342.440 -1.020 20 0 EAADRO CCCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894609 792230828 /nfs/dbraw/zinc/23/08/28/792230828.db2.gz NEKHNGSOQZUERO-KGLIPLIRSA-N 1 0 342.440 -1.020 20 0 EAADRO CCCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894610 792230892 /nfs/dbraw/zinc/23/08/92/792230892.db2.gz NEKHNGSOQZUERO-UONOGXRCSA-N 1 0 342.440 -1.020 20 0 EAADRO CCCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894611 792229545 /nfs/dbraw/zinc/22/95/45/792229545.db2.gz NEKHNGSOQZUERO-ZIAGYGMSSA-N 1 0 342.440 -1.020 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894788 787593341 /nfs/dbraw/zinc/59/33/41/787593341.db2.gz QCRXQYXGSYKISL-CHWSQXEVSA-N 1 0 341.412 -1.440 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894789 787594086 /nfs/dbraw/zinc/59/40/86/787594086.db2.gz QCRXQYXGSYKISL-OLZOCXBDSA-N 1 0 341.412 -1.440 20 0 EAADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894790 787594588 /nfs/dbraw/zinc/59/45/88/787594588.db2.gz QCRXQYXGSYKISL-QWHCGFSZSA-N 1 0 341.412 -1.440 20 0 EAADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894791 787593980 /nfs/dbraw/zinc/59/39/80/787593980.db2.gz QCRXQYXGSYKISL-STQMWFEESA-N 1 0 341.412 -1.440 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894808 792229736 /nfs/dbraw/zinc/22/97/36/792229736.db2.gz QLPZPFAHVKGQMY-CHWSQXEVSA-N 1 0 344.412 -2.173 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894809 792230382 /nfs/dbraw/zinc/23/03/82/792230382.db2.gz QLPZPFAHVKGQMY-OLZOCXBDSA-N 1 0 344.412 -2.173 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894810 792230557 /nfs/dbraw/zinc/23/05/57/792230557.db2.gz QLPZPFAHVKGQMY-QWHCGFSZSA-N 1 0 344.412 -2.173 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894811 792229380 /nfs/dbraw/zinc/22/93/80/792229380.db2.gz QLPZPFAHVKGQMY-STQMWFEESA-N 1 0 344.412 -2.173 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894955 787594625 /nfs/dbraw/zinc/59/46/25/787594625.db2.gz SLNLBYRYNCXEBP-NEPJUHHUSA-N 1 0 327.385 -1.830 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894957 787593923 /nfs/dbraw/zinc/59/39/23/787593923.db2.gz SLNLBYRYNCXEBP-NWDGAFQWSA-N 1 0 327.385 -1.830 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099894959 787594432 /nfs/dbraw/zinc/59/44/32/787594432.db2.gz SLNLBYRYNCXEBP-RYUDHWBXSA-N 1 0 327.385 -1.830 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001099894960 787594108 /nfs/dbraw/zinc/59/41/08/787594108.db2.gz SLNLBYRYNCXEBP-VXGBXAGGSA-N 1 0 327.385 -1.830 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099895092 792229581 /nfs/dbraw/zinc/22/95/81/792229581.db2.gz UJKGNTVNXSKAKG-CHWSQXEVSA-N 1 0 344.412 -2.173 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099895093 792230903 /nfs/dbraw/zinc/23/09/03/792230903.db2.gz UJKGNTVNXSKAKG-OLZOCXBDSA-N 1 0 344.412 -2.173 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099895094 792230877 /nfs/dbraw/zinc/23/08/77/792230877.db2.gz UJKGNTVNXSKAKG-QWHCGFSZSA-N 1 0 344.412 -2.173 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099895095 792229850 /nfs/dbraw/zinc/22/98/50/792229850.db2.gz UJKGNTVNXSKAKG-STQMWFEESA-N 1 0 344.412 -2.173 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCC(C)C)C[C@@H]1O ZINC001099895120 792230026 /nfs/dbraw/zinc/23/00/26/792230026.db2.gz USRCDFYBWHPCFL-KBPBESRZSA-N 1 0 342.440 -1.164 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C[C@@H]1O ZINC001099895121 792229953 /nfs/dbraw/zinc/22/99/53/792229953.db2.gz USRCDFYBWHPCFL-KGLIPLIRSA-N 1 0 342.440 -1.164 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCC(C)C)C[C@H]1O ZINC001099895122 792230816 /nfs/dbraw/zinc/23/08/16/792230816.db2.gz USRCDFYBWHPCFL-UONOGXRCSA-N 1 0 342.440 -1.164 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C[C@H]1O ZINC001099895123 792230355 /nfs/dbraw/zinc/23/03/55/792230355.db2.gz USRCDFYBWHPCFL-ZIAGYGMSSA-N 1 0 342.440 -1.164 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099895132 792229700 /nfs/dbraw/zinc/22/97/00/792229700.db2.gz UXUWKCMPWZIXRD-NEPJUHHUSA-N 1 0 332.376 -1.850 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099895133 787597483 /nfs/dbraw/zinc/59/74/83/787597483.db2.gz UXUWKCMPWZIXRD-NWDGAFQWSA-N 1 0 332.376 -1.850 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099895134 787598802 /nfs/dbraw/zinc/59/88/02/787598802.db2.gz UXUWKCMPWZIXRD-RYUDHWBXSA-N 1 0 332.376 -1.850 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099895135 787597859 /nfs/dbraw/zinc/59/78/59/787597859.db2.gz UXUWKCMPWZIXRD-VXGBXAGGSA-N 1 0 332.376 -1.850 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001099895144 792230485 /nfs/dbraw/zinc/23/04/85/792230485.db2.gz VDEDNTGVSRWWEG-KBPBESRZSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001099895145 792229799 /nfs/dbraw/zinc/22/97/99/792229799.db2.gz VDEDNTGVSRWWEG-KGLIPLIRSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001099895146 792230788 /nfs/dbraw/zinc/23/07/88/792230788.db2.gz VDEDNTGVSRWWEG-UONOGXRCSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001099895147 792229514 /nfs/dbraw/zinc/22/95/14/792229514.db2.gz VDEDNTGVSRWWEG-ZIAGYGMSSA-N 1 0 340.424 -1.410 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099895328 792230333 /nfs/dbraw/zinc/23/03/33/792230333.db2.gz WMAHCYTUIUBCRB-NEPJUHHUSA-N 1 0 330.385 -2.564 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099895329 792230922 /nfs/dbraw/zinc/23/09/22/792230922.db2.gz WMAHCYTUIUBCRB-NWDGAFQWSA-N 1 0 330.385 -2.564 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099895330 792230946 /nfs/dbraw/zinc/23/09/46/792230946.db2.gz WMAHCYTUIUBCRB-RYUDHWBXSA-N 1 0 330.385 -2.564 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099895331 792230402 /nfs/dbraw/zinc/23/04/02/792230402.db2.gz WMAHCYTUIUBCRB-VXGBXAGGSA-N 1 0 330.385 -2.564 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O ZINC001099898685 792231988 /nfs/dbraw/zinc/23/19/88/792231988.db2.gz GIBFEJSGWPXHNY-GHMZBOCLSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898686 792233432 /nfs/dbraw/zinc/23/34/32/792233432.db2.gz GIBFEJSGWPXHNY-MNOVXSKESA-N 1 0 343.428 -1.537 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898687 792231481 /nfs/dbraw/zinc/23/14/81/792231481.db2.gz GIBFEJSGWPXHNY-QWRGUYRKSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O ZINC001099898688 792232467 /nfs/dbraw/zinc/23/24/67/792232467.db2.gz GIBFEJSGWPXHNY-WDEREUQCSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O ZINC001099898825 792232161 /nfs/dbraw/zinc/23/21/61/792232161.db2.gz INEDAJYDMNIOFF-NEPJUHHUSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O ZINC001099898826 792233095 /nfs/dbraw/zinc/23/30/95/792233095.db2.gz INEDAJYDMNIOFF-NWDGAFQWSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O ZINC001099898827 792233226 /nfs/dbraw/zinc/23/32/26/792233226.db2.gz INEDAJYDMNIOFF-RYUDHWBXSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O ZINC001099898828 792232413 /nfs/dbraw/zinc/23/24/13/792232413.db2.gz INEDAJYDMNIOFF-VXGBXAGGSA-N 1 0 339.444 -1.008 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001099898913 792233724 /nfs/dbraw/zinc/23/37/24/792233724.db2.gz JYXYWUGOKNGCEM-KBPBESRZSA-N 1 0 342.440 -1.652 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001099898914 792231938 /nfs/dbraw/zinc/23/19/38/792231938.db2.gz JYXYWUGOKNGCEM-KGLIPLIRSA-N 1 0 342.440 -1.652 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001099898915 792231281 /nfs/dbraw/zinc/23/12/81/792231281.db2.gz JYXYWUGOKNGCEM-UONOGXRCSA-N 1 0 342.440 -1.652 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001099898916 787604231 /nfs/dbraw/zinc/60/42/31/787604231.db2.gz JYXYWUGOKNGCEM-ZIAGYGMSSA-N 1 0 342.440 -1.652 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O ZINC001099898917 787604315 /nfs/dbraw/zinc/60/43/15/787604315.db2.gz KBSAKAMTVMZFDJ-NEPJUHHUSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O ZINC001099898918 787604712 /nfs/dbraw/zinc/60/47/12/787604712.db2.gz KBSAKAMTVMZFDJ-NWDGAFQWSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O ZINC001099898919 787604493 /nfs/dbraw/zinc/60/44/93/787604493.db2.gz KBSAKAMTVMZFDJ-RYUDHWBXSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O ZINC001099898920 787603658 /nfs/dbraw/zinc/60/36/58/787603658.db2.gz KBSAKAMTVMZFDJ-VXGBXAGGSA-N 1 0 339.444 -1.008 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001099898965 792231974 /nfs/dbraw/zinc/23/19/74/792231974.db2.gz KVFWWGNOAXNFPX-KBPBESRZSA-N 1 0 342.440 -1.652 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001099898966 792233172 /nfs/dbraw/zinc/23/31/72/792233172.db2.gz KVFWWGNOAXNFPX-KGLIPLIRSA-N 1 0 342.440 -1.652 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001099898967 792232569 /nfs/dbraw/zinc/23/25/69/792232569.db2.gz KVFWWGNOAXNFPX-UONOGXRCSA-N 1 0 342.440 -1.652 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001099898968 792233695 /nfs/dbraw/zinc/23/36/95/792233695.db2.gz KVFWWGNOAXNFPX-ZIAGYGMSSA-N 1 0 342.440 -1.652 20 0 EAADRO CN(CCC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899389 792233653 /nfs/dbraw/zinc/23/36/53/792233653.db2.gz RWQWOWSFNUIVKM-KBPBESRZSA-N 1 0 335.408 -1.055 20 0 EAADRO CN(CCC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899390 792232608 /nfs/dbraw/zinc/23/26/08/792232608.db2.gz RWQWOWSFNUIVKM-KGLIPLIRSA-N 1 0 335.408 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792235951 /nfs/dbraw/zinc/23/59/51/792235951.db2.gz BRUNMWUNKGWYSK-WDEREUQCSA-N 1 0 345.350 -1.184 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)ccc1=O ZINC001099901262 792236057 /nfs/dbraw/zinc/23/60/57/792236057.db2.gz GTABHUGOPZBTSZ-KBPBESRZSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)ccc1=O ZINC001099901263 792235177 /nfs/dbraw/zinc/23/51/77/792235177.db2.gz GTABHUGOPZBTSZ-KGLIPLIRSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)ccc1=O ZINC001099901264 792235518 /nfs/dbraw/zinc/23/55/18/792235518.db2.gz GTABHUGOPZBTSZ-UONOGXRCSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)ccc1=O ZINC001099901265 792235914 /nfs/dbraw/zinc/23/59/14/792235914.db2.gz GTABHUGOPZBTSZ-ZIAGYGMSSA-N 1 0 339.392 -1.441 20 0 EAADRO O=C(NCC(F)F)C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099901418 792234611 /nfs/dbraw/zinc/23/46/11/792234611.db2.gz IZADZBFXCCJBGJ-NXEZZACHSA-N 1 0 339.339 -2.072 20 0 EAADRO O=C(NCC(F)F)C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099901419 792234702 /nfs/dbraw/zinc/23/47/02/792234702.db2.gz IZADZBFXCCJBGJ-UWVGGRQHSA-N 1 0 339.339 -2.072 20 0 EAADRO O=C(NCC(F)F)C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099901420 792235879 /nfs/dbraw/zinc/23/58/79/792235879.db2.gz IZADZBFXCCJBGJ-VHSXEESVSA-N 1 0 339.339 -2.072 20 0 EAADRO O=C(NCC(F)F)C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099901421 792235833 /nfs/dbraw/zinc/23/58/33/792235833.db2.gz IZADZBFXCCJBGJ-ZJUUUORDSA-N 1 0 339.339 -2.072 20 0 EAADRO CS(=O)(=O)NCCN1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001099901469 787603773 /nfs/dbraw/zinc/60/37/73/787603773.db2.gz JSVYMLNCLQUSJD-WPRPVWTQSA-N 1 0 332.386 -2.481 20 0 EAADRO O=C(NCC(F)F)C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099901530 792234723 /nfs/dbraw/zinc/23/47/23/792234723.db2.gz KKANIKPNGOVNEH-NXEZZACHSA-N 1 0 346.338 -1.789 20 0 EAADRO O=C(NCC(F)F)C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099901531 792235483 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/nfs/dbraw/zinc/23/95/60/792239560.db2.gz GLSMZHBIXKDCBM-CHWSQXEVSA-N 1 0 344.412 -2.038 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099903442 792241161 /nfs/dbraw/zinc/24/11/61/792241161.db2.gz GLSMZHBIXKDCBM-OLZOCXBDSA-N 1 0 344.412 -2.038 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099903443 792240339 /nfs/dbraw/zinc/24/03/39/792240339.db2.gz GLSMZHBIXKDCBM-QWHCGFSZSA-N 1 0 344.412 -2.038 20 0 EAADRO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099903444 792241334 /nfs/dbraw/zinc/24/13/34/792241334.db2.gz GLSMZHBIXKDCBM-STQMWFEESA-N 1 0 344.412 -2.038 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001099903849 792240278 /nfs/dbraw/zinc/24/02/78/792240278.db2.gz MBXIDWIRQBSPFG-CHWSQXEVSA-N 1 0 328.413 -1.010 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001099903850 792240142 /nfs/dbraw/zinc/24/01/42/792240142.db2.gz MBXIDWIRQBSPFG-OLZOCXBDSA-N 1 0 328.413 -1.010 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001099903851 792240077 /nfs/dbraw/zinc/24/00/77/792240077.db2.gz MBXIDWIRQBSPFG-QWHCGFSZSA-N 1 0 328.413 -1.010 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001099903852 792241236 /nfs/dbraw/zinc/24/12/36/792241236.db2.gz MBXIDWIRQBSPFG-STQMWFEESA-N 1 0 328.413 -1.010 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001099904357 792242964 /nfs/dbraw/zinc/24/29/64/792242964.db2.gz UTGODOJPBYSYLF-CHWSQXEVSA-N 1 0 328.413 -1.010 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001099904358 792243696 /nfs/dbraw/zinc/24/36/96/792243696.db2.gz UTGODOJPBYSYLF-OLZOCXBDSA-N 1 0 328.413 -1.010 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001099904359 792242709 /nfs/dbraw/zinc/24/27/09/792242709.db2.gz UTGODOJPBYSYLF-QWHCGFSZSA-N 1 0 328.413 -1.010 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001099904360 792243011 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EAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099905760 792241774 /nfs/dbraw/zinc/24/17/74/792241774.db2.gz DNNPEDMLZDKQEV-KGLIPLIRSA-N 1 0 344.456 -1.623 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099905761 787607756 /nfs/dbraw/zinc/60/77/56/787607756.db2.gz DNNPEDMLZDKQEV-UONOGXRCSA-N 1 0 344.456 -1.623 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099905762 787608252 /nfs/dbraw/zinc/60/82/52/787608252.db2.gz DNNPEDMLZDKQEV-ZIAGYGMSSA-N 1 0 344.456 -1.623 20 0 EAADRO Cc1nnc(COCC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)s1 ZINC001099905999 792242900 /nfs/dbraw/zinc/24/29/00/792242900.db2.gz HSANXJCKMUFNCL-GHMZBOCLSA-N 1 0 330.410 -1.093 20 0 EAADRO Cc1nnc(COCC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)s1 ZINC001099906000 787607107 /nfs/dbraw/zinc/60/71/07/787607107.db2.gz HSANXJCKMUFNCL-MNOVXSKESA-N 1 0 330.410 -1.093 20 0 EAADRO Cc1nnc(COCC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)s1 ZINC001099906001 787607098 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ZINC001099906459 792243190 /nfs/dbraw/zinc/24/31/90/792243190.db2.gz NVMDVASKRNLUPY-NWDGAFQWSA-N 1 0 340.380 -1.463 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001099906460 792242248 /nfs/dbraw/zinc/24/22/48/792242248.db2.gz NVMDVASKRNLUPY-RYUDHWBXSA-N 1 0 340.380 -1.463 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC001099906461 792243605 /nfs/dbraw/zinc/24/36/05/792243605.db2.gz NVMDVASKRNLUPY-VXGBXAGGSA-N 1 0 340.380 -1.463 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099906516 787608749 /nfs/dbraw/zinc/60/87/49/787608749.db2.gz OLOFAOSIPBMTRC-CHWSQXEVSA-N 1 0 330.429 -2.014 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099906519 787609422 /nfs/dbraw/zinc/60/94/22/787609422.db2.gz OLOFAOSIPBMTRC-OLZOCXBDSA-N 1 0 330.429 -2.014 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099906520 787608642 /nfs/dbraw/zinc/60/86/42/787608642.db2.gz 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-1.605 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099942179 792260817 /nfs/dbraw/zinc/26/08/17/792260817.db2.gz NNDAQOUBYRWNQH-CHWSQXEVSA-N 1 0 328.413 -1.994 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099942180 792261661 /nfs/dbraw/zinc/26/16/61/792261661.db2.gz NNDAQOUBYRWNQH-OLZOCXBDSA-N 1 0 328.413 -1.994 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099942181 792260625 /nfs/dbraw/zinc/26/06/25/792260625.db2.gz NNDAQOUBYRWNQH-QWHCGFSZSA-N 1 0 328.413 -1.994 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099942182 792261375 /nfs/dbraw/zinc/26/13/75/792261375.db2.gz NNDAQOUBYRWNQH-STQMWFEESA-N 1 0 328.413 -1.994 20 0 EAADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099942195 792259841 /nfs/dbraw/zinc/25/98/41/792259841.db2.gz NPGLLLHHYDIIOG-KBPBESRZSA-N 1 0 342.440 -1.604 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099942196 792260084 /nfs/dbraw/zinc/26/00/84/792260084.db2.gz NPGLLLHHYDIIOG-KGLIPLIRSA-N 1 0 342.440 -1.604 20 0 EAADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099942197 792261418 /nfs/dbraw/zinc/26/14/18/792261418.db2.gz NPGLLLHHYDIIOG-UONOGXRCSA-N 1 0 342.440 -1.604 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099942198 792261052 /nfs/dbraw/zinc/26/10/52/792261052.db2.gz NPGLLLHHYDIIOG-ZIAGYGMSSA-N 1 0 342.440 -1.604 20 0 EAADRO Cc1noc(CCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001099942347 787818099 /nfs/dbraw/zinc/81/80/99/787818099.db2.gz QLNXMSWIRMKLLG-CHWSQXEVSA-N 1 0 342.396 -1.129 20 0 EAADRO Cc1noc(CCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099942348 787818352 /nfs/dbraw/zinc/81/83/52/787818352.db2.gz QLNXMSWIRMKLLG-OLZOCXBDSA-N 1 0 342.396 -1.129 20 0 EAADRO Cc1noc(CCC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001099942349 787818815 /nfs/dbraw/zinc/81/88/15/787818815.db2.gz QLNXMSWIRMKLLG-QWHCGFSZSA-N 1 0 342.396 -1.129 20 0 EAADRO Cc1noc(CCC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099942350 787819012 /nfs/dbraw/zinc/81/90/12/787819012.db2.gz QLNXMSWIRMKLLG-STQMWFEESA-N 1 0 342.396 -1.129 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099942371 792260127 /nfs/dbraw/zinc/26/01/27/792260127.db2.gz QSQBQDAXZVXREQ-CHWSQXEVSA-N 1 0 328.413 -1.994 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099942372 792261112 /nfs/dbraw/zinc/26/11/12/792261112.db2.gz QSQBQDAXZVXREQ-OLZOCXBDSA-N 1 0 328.413 -1.994 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099942373 792260481 /nfs/dbraw/zinc/26/04/81/792260481.db2.gz QSQBQDAXZVXREQ-QWHCGFSZSA-N 1 0 328.413 -1.994 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099942374 792260977 /nfs/dbraw/zinc/26/09/77/792260977.db2.gz QSQBQDAXZVXREQ-STQMWFEESA-N 1 0 328.413 -1.994 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099942599 792260415 /nfs/dbraw/zinc/26/04/15/792260415.db2.gz UGWXNDLSCNWTEN-CHWSQXEVSA-N 1 0 342.396 -1.397 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099942600 792260346 /nfs/dbraw/zinc/26/03/46/792260346.db2.gz UGWXNDLSCNWTEN-OLZOCXBDSA-N 1 0 342.396 -1.397 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099942601 792261495 /nfs/dbraw/zinc/26/14/95/792261495.db2.gz UGWXNDLSCNWTEN-QWHCGFSZSA-N 1 0 342.396 -1.397 20 0 EAADRO COc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099942602 792261424 /nfs/dbraw/zinc/26/14/24/792261424.db2.gz UGWXNDLSCNWTEN-STQMWFEESA-N 1 0 342.396 -1.397 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099943423 787821970 /nfs/dbraw/zinc/82/19/70/787821970.db2.gz CLUCUKLUYSWGMK-CMPLNLGQSA-N 1 0 328.369 -1.700 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099943426 787821817 /nfs/dbraw/zinc/82/18/17/787821817.db2.gz CLUCUKLUYSWGMK-JQWIXIFHSA-N 1 0 328.369 -1.700 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099943429 787823088 /nfs/dbraw/zinc/82/30/88/787823088.db2.gz CLUCUKLUYSWGMK-PWSUYJOCSA-N 1 0 328.369 -1.700 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099943434 787822244 /nfs/dbraw/zinc/82/22/44/787822244.db2.gz CLUCUKLUYSWGMK-ZYHUDNBSSA-N 1 0 328.369 -1.700 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099945386 792262905 /nfs/dbraw/zinc/26/29/05/792262905.db2.gz WUAWEDYKKRZPGN-AAEUAGOBSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099945388 792262226 /nfs/dbraw/zinc/26/22/26/792262226.db2.gz WUAWEDYKKRZPGN-DGCLKSJQSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099945390 792263762 /nfs/dbraw/zinc/26/37/62/792263762.db2.gz WUAWEDYKKRZPGN-WCQYABFASA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099945391 792262126 /nfs/dbraw/zinc/26/21/26/792262126.db2.gz WUAWEDYKKRZPGN-YPMHNXCESA-N 1 0 342.396 -1.046 20 0 EAADRO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099946815 792262273 /nfs/dbraw/zinc/26/22/73/792262273.db2.gz LYCPMXWROYCGRW-CHWSQXEVSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099946816 792263566 /nfs/dbraw/zinc/26/35/66/792263566.db2.gz LYCPMXWROYCGRW-OLZOCXBDSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099946817 792263831 /nfs/dbraw/zinc/26/38/31/792263831.db2.gz LYCPMXWROYCGRW-QWHCGFSZSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099946818 792262800 /nfs/dbraw/zinc/26/28/00/792262800.db2.gz LYCPMXWROYCGRW-STQMWFEESA-N 1 0 326.397 -1.098 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099947395 792265091 /nfs/dbraw/zinc/26/50/91/792265091.db2.gz VLRIAUANZWCZSJ-GHMZBOCLSA-N 1 0 328.373 -1.962 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099947396 792265851 /nfs/dbraw/zinc/26/58/51/792265851.db2.gz VLRIAUANZWCZSJ-MNOVXSKESA-N 1 0 328.373 -1.962 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099947397 791455207 /nfs/dbraw/zinc/45/52/07/791455207.db2.gz VLRIAUANZWCZSJ-QWRGUYRKSA-N 1 0 328.373 -1.962 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099947398 791454589 /nfs/dbraw/zinc/45/45/89/791454589.db2.gz VLRIAUANZWCZSJ-WDEREUQCSA-N 1 0 328.373 -1.962 20 0 EAADRO O=C(CCCF)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099955008 792266156 /nfs/dbraw/zinc/26/61/56/792266156.db2.gz RAWXVJKIYKSFJN-GHMZBOCLSA-N 1 0 330.360 -1.161 20 0 EAADRO O=C(CCCF)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099955009 786431850 /nfs/dbraw/zinc/43/18/50/786431850.db2.gz RAWXVJKIYKSFJN-MNOVXSKESA-N 1 0 330.360 -1.161 20 0 EAADRO O=C(CCCF)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099955010 786432368 /nfs/dbraw/zinc/43/23/68/786432368.db2.gz RAWXVJKIYKSFJN-QWRGUYRKSA-N 1 0 330.360 -1.161 20 0 EAADRO O=C(CCCF)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099955011 786431058 /nfs/dbraw/zinc/43/10/58/786431058.db2.gz RAWXVJKIYKSFJN-WDEREUQCSA-N 1 0 330.360 -1.161 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099959080 792265116 /nfs/dbraw/zinc/26/51/16/792265116.db2.gz CBVXAPYETWGFAO-NEPJUHHUSA-N 1 0 340.380 -1.335 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099959081 792266252 /nfs/dbraw/zinc/26/62/52/792266252.db2.gz CBVXAPYETWGFAO-NWDGAFQWSA-N 1 0 340.380 -1.335 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099959082 792267467 /nfs/dbraw/zinc/26/74/67/792267467.db2.gz CBVXAPYETWGFAO-RYUDHWBXSA-N 1 0 340.380 -1.335 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099959083 792265007 /nfs/dbraw/zinc/26/50/07/792265007.db2.gz CBVXAPYETWGFAO-VXGBXAGGSA-N 1 0 340.380 -1.335 20 0 EAADRO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1C ZINC001099965438 792269604 /nfs/dbraw/zinc/26/96/04/792269604.db2.gz XFXPRHVFDAQFFU-GXTWGEPZSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1C ZINC001099965439 792269969 /nfs/dbraw/zinc/26/99/69/792269969.db2.gz XFXPRHVFDAQFFU-JSGCOSHPSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1C ZINC001099965441 792269430 /nfs/dbraw/zinc/26/94/30/792269430.db2.gz XFXPRHVFDAQFFU-OCCSQVGLSA-N 1 0 326.397 -1.098 20 0 EAADRO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1C ZINC001099965442 792268561 /nfs/dbraw/zinc/26/85/61/792268561.db2.gz XFXPRHVFDAQFFU-TZMCWYRMSA-N 1 0 326.397 -1.098 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967439 792268996 /nfs/dbraw/zinc/26/89/96/792268996.db2.gz NIPAMYSZNXWXNG-AAEUAGOBSA-N 1 0 340.380 -1.402 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967440 792268159 /nfs/dbraw/zinc/26/81/59/792268159.db2.gz NIPAMYSZNXWXNG-DGCLKSJQSA-N 1 0 340.380 -1.402 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967441 792269177 /nfs/dbraw/zinc/26/91/77/792269177.db2.gz NIPAMYSZNXWXNG-WCQYABFASA-N 1 0 340.380 -1.402 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967442 792268973 /nfs/dbraw/zinc/26/89/73/792268973.db2.gz NIPAMYSZNXWXNG-YPMHNXCESA-N 1 0 340.380 -1.402 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001099968051 792268944 /nfs/dbraw/zinc/26/89/44/792268944.db2.gz YOOBBGLJNRDGOZ-CMPLNLGQSA-N 1 0 326.353 -2.056 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001099968052 792268809 /nfs/dbraw/zinc/26/88/09/792268809.db2.gz YOOBBGLJNRDGOZ-JQWIXIFHSA-N 1 0 326.353 -2.056 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001099968053 792268199 /nfs/dbraw/zinc/26/81/99/792268199.db2.gz YOOBBGLJNRDGOZ-PWSUYJOCSA-N 1 0 326.353 -2.056 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001099968054 792268293 /nfs/dbraw/zinc/26/82/93/792268293.db2.gz YOOBBGLJNRDGOZ-ZYHUDNBSSA-N 1 0 326.353 -2.056 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099968781 792269028 /nfs/dbraw/zinc/26/90/28/792269028.db2.gz CTHAGQZVYIRKNF-NEPJUHHUSA-N 1 0 325.417 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099968791 792269328 /nfs/dbraw/zinc/26/93/28/792269328.db2.gz CTHAGQZVYIRKNF-NWDGAFQWSA-N 1 0 325.417 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099968793 786431598 /nfs/dbraw/zinc/43/15/98/786431598.db2.gz CTHAGQZVYIRKNF-RYUDHWBXSA-N 1 0 325.417 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099968800 786433637 /nfs/dbraw/zinc/43/36/37/786433637.db2.gz CTHAGQZVYIRKNF-VXGBXAGGSA-N 1 0 325.417 -1.397 20 0 EAADRO Cn1[nH]c(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)nc1=O ZINC001099970492 792271725 /nfs/dbraw/zinc/27/17/25/792271725.db2.gz YIKHWVHTCWFQBH-NEPJUHHUSA-N 1 0 340.428 -1.498 20 0 EAADRO Cn1[nH]c(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C2)nc1=O ZINC001099970493 792270830 /nfs/dbraw/zinc/27/08/30/792270830.db2.gz YIKHWVHTCWFQBH-NWDGAFQWSA-N 1 0 340.428 -1.498 20 0 EAADRO Cn1[nH]c(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)nc1=O ZINC001099970494 792272222 /nfs/dbraw/zinc/27/22/22/792272222.db2.gz YIKHWVHTCWFQBH-RYUDHWBXSA-N 1 0 340.428 -1.498 20 0 EAADRO Cn1[nH]c(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C2)nc1=O ZINC001099970495 792271021 /nfs/dbraw/zinc/27/10/21/792271021.db2.gz YIKHWVHTCWFQBH-VXGBXAGGSA-N 1 0 340.428 -1.498 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C[C@H]2O)CC1 ZINC001099971111 792270732 /nfs/dbraw/zinc/27/07/32/792270732.db2.gz AQJLMWFIBCMBKM-CHWSQXEVSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001099971112 792272018 /nfs/dbraw/zinc/27/20/18/792272018.db2.gz AQJLMWFIBCMBKM-OLZOCXBDSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C[C@H]2O)CC1 ZINC001099971113 792271075 /nfs/dbraw/zinc/27/10/75/792271075.db2.gz AQJLMWFIBCMBKM-QWHCGFSZSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001099971114 792272087 /nfs/dbraw/zinc/27/20/87/792272087.db2.gz AQJLMWFIBCMBKM-STQMWFEESA-N 1 0 347.481 -1.076 20 0 EAADRO CN(C)C(=O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971279 792272049 /nfs/dbraw/zinc/27/20/49/792272049.db2.gz DZRJCDCSVBINIM-CHWSQXEVSA-N 1 0 326.441 -1.032 20 0 EAADRO CN(C)C(=O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971280 792271680 /nfs/dbraw/zinc/27/16/80/792271680.db2.gz DZRJCDCSVBINIM-OLZOCXBDSA-N 1 0 326.441 -1.032 20 0 EAADRO CN(C)C(=O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971281 792271947 /nfs/dbraw/zinc/27/19/47/792271947.db2.gz DZRJCDCSVBINIM-QWHCGFSZSA-N 1 0 326.441 -1.032 20 0 EAADRO CN(C)C(=O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971282 792270995 /nfs/dbraw/zinc/27/09/95/792270995.db2.gz DZRJCDCSVBINIM-STQMWFEESA-N 1 0 326.441 -1.032 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971635 792271533 /nfs/dbraw/zinc/27/15/33/792271533.db2.gz KKQVTBCWIKYVDJ-NEPJUHHUSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971636 792270745 /nfs/dbraw/zinc/27/07/45/792270745.db2.gz KKQVTBCWIKYVDJ-NWDGAFQWSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971637 792271423 /nfs/dbraw/zinc/27/14/23/792271423.db2.gz KKQVTBCWIKYVDJ-RYUDHWBXSA-N 1 0 337.428 -1.397 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971638 792271640 /nfs/dbraw/zinc/27/16/40/792271640.db2.gz KKQVTBCWIKYVDJ-VXGBXAGGSA-N 1 0 337.428 -1.397 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971771 792271398 /nfs/dbraw/zinc/27/13/98/792271398.db2.gz MFTUAXOBHXXVMD-NXEZZACHSA-N 1 0 336.414 -2.648 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971772 786433776 /nfs/dbraw/zinc/43/37/76/786433776.db2.gz MFTUAXOBHXXVMD-UWVGGRQHSA-N 1 0 336.414 -2.648 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971773 786432903 /nfs/dbraw/zinc/43/29/03/786432903.db2.gz MFTUAXOBHXXVMD-VHSXEESVSA-N 1 0 336.414 -2.648 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971774 786433611 /nfs/dbraw/zinc/43/36/11/786433611.db2.gz MFTUAXOBHXXVMD-ZJUUUORDSA-N 1 0 336.414 -2.648 20 0 EAADRO Cn1cc(OCC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001099971991 792271930 /nfs/dbraw/zinc/27/19/30/792271930.db2.gz PHSBACLZEJXKIE-KBPBESRZSA-N 1 0 342.396 -1.641 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001099971992 792270882 /nfs/dbraw/zinc/27/08/82/792270882.db2.gz PHSBACLZEJXKIE-KGLIPLIRSA-N 1 0 342.396 -1.641 20 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792270773 /nfs/dbraw/zinc/27/07/73/792270773.db2.gz QRGYKZCCVWCXNN-VXGBXAGGSA-N 1 0 337.428 -1.397 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099972331 792271844 /nfs/dbraw/zinc/27/18/44/792271844.db2.gz VCJMLQYZRXPZFK-GHMZBOCLSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099972332 792271883 /nfs/dbraw/zinc/27/18/83/792271883.db2.gz VCJMLQYZRXPZFK-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099972333 792271370 /nfs/dbraw/zinc/27/13/70/792271370.db2.gz VCJMLQYZRXPZFK-QWRGUYRKSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099972334 792272144 /nfs/dbraw/zinc/27/21/44/792272144.db2.gz VCJMLQYZRXPZFK-WDEREUQCSA-N 1 0 341.412 -1.926 20 0 EAADRO Cn1cc(OCC(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001099972475 792271654 /nfs/dbraw/zinc/27/16/54/792271654.db2.gz XJNIVKYJWFGHHT-KBPBESRZSA-N 1 0 349.395 -1.358 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001099972476 792270842 /nfs/dbraw/zinc/27/08/42/792270842.db2.gz XJNIVKYJWFGHHT-KGLIPLIRSA-N 1 0 349.395 -1.358 20 0 EAADRO Cn1cc(OCC(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001099972477 792272368 /nfs/dbraw/zinc/27/23/68/792272368.db2.gz XJNIVKYJWFGHHT-UONOGXRCSA-N 1 0 349.395 -1.358 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001099972478 792272313 /nfs/dbraw/zinc/27/23/13/792272313.db2.gz XJNIVKYJWFGHHT-ZIAGYGMSSA-N 1 0 349.395 -1.358 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973741 792274751 /nfs/dbraw/zinc/27/47/51/792274751.db2.gz IGKWHKRUBFRUML-NXEZZACHSA-N 1 0 336.414 -2.695 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973742 792273771 /nfs/dbraw/zinc/27/37/71/792273771.db2.gz IGKWHKRUBFRUML-UWVGGRQHSA-N 1 0 336.414 -2.695 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973743 792273075 /nfs/dbraw/zinc/27/30/75/792273075.db2.gz IGKWHKRUBFRUML-VHSXEESVSA-N 1 0 336.414 -2.695 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973744 792274201 /nfs/dbraw/zinc/27/42/01/792274201.db2.gz IGKWHKRUBFRUML-ZJUUUORDSA-N 1 0 336.414 -2.695 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001099973885 792273719 /nfs/dbraw/zinc/27/37/19/792273719.db2.gz KIACKQFXURLTRD-BDAKNGLRSA-N 1 0 327.303 -1.008 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001099973886 792274733 /nfs/dbraw/zinc/27/47/33/792274733.db2.gz KIACKQFXURLTRD-DTWKUNHWSA-N 1 0 327.303 -1.008 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001099973887 792273182 /nfs/dbraw/zinc/27/31/82/792273182.db2.gz KIACKQFXURLTRD-IUCAKERBSA-N 1 0 327.303 -1.008 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001099973888 792274481 /nfs/dbraw/zinc/27/44/81/792274481.db2.gz KIACKQFXURLTRD-RKDXNWHRSA-N 1 0 327.303 -1.008 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974165 786433267 /nfs/dbraw/zinc/43/32/67/786433267.db2.gz NYJPVWAQZDLBQD-NEPJUHHUSA-N 1 0 343.428 -1.665 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974166 786433431 /nfs/dbraw/zinc/43/34/31/786433431.db2.gz NYJPVWAQZDLBQD-NWDGAFQWSA-N 1 0 343.428 -1.665 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974167 786433092 /nfs/dbraw/zinc/43/30/92/786433092.db2.gz NYJPVWAQZDLBQD-RYUDHWBXSA-N 1 0 343.428 -1.665 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974168 786433802 /nfs/dbraw/zinc/43/38/02/786433802.db2.gz NYJPVWAQZDLBQD-VXGBXAGGSA-N 1 0 343.428 -1.665 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001099974169 786433788 /nfs/dbraw/zinc/43/37/88/786433788.db2.gz OBHQCAJHQNASRC-HTQZYQBOSA-N 1 0 340.302 -1.908 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001099974170 786433943 /nfs/dbraw/zinc/43/39/43/786433943.db2.gz OBHQCAJHQNASRC-JGVFFNPUSA-N 1 0 340.302 -1.908 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001099974171 786432942 /nfs/dbraw/zinc/43/29/42/786432942.db2.gz OBHQCAJHQNASRC-SFYZADRCSA-N 1 0 340.302 -1.908 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001099974172 786433452 /nfs/dbraw/zinc/43/34/52/786433452.db2.gz OBHQCAJHQNASRC-YUMQZZPRSA-N 1 0 340.302 -1.908 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O ZINC001099974209 786433220 /nfs/dbraw/zinc/43/32/20/786433220.db2.gz OKANJHTVVJGPLW-CHWSQXEVSA-N 1 0 335.470 -1.076 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O ZINC001099974210 786433647 /nfs/dbraw/zinc/43/36/47/786433647.db2.gz OKANJHTVVJGPLW-OLZOCXBDSA-N 1 0 335.470 -1.076 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O ZINC001099974211 786432820 /nfs/dbraw/zinc/43/28/20/786432820.db2.gz OKANJHTVVJGPLW-QWHCGFSZSA-N 1 0 335.470 -1.076 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O ZINC001099974212 786433070 /nfs/dbraw/zinc/43/30/70/786433070.db2.gz OKANJHTVVJGPLW-STQMWFEESA-N 1 0 335.470 -1.076 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001099974273 792274772 /nfs/dbraw/zinc/27/47/72/792274772.db2.gz PHWVQDBSLLYENK-HTQZYQBOSA-N 1 0 345.293 -1.060 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001099974274 792274384 /nfs/dbraw/zinc/27/43/84/792274384.db2.gz PHWVQDBSLLYENK-JGVFFNPUSA-N 1 0 345.293 -1.060 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001099974275 792273642 /nfs/dbraw/zinc/27/36/42/792273642.db2.gz PHWVQDBSLLYENK-SFYZADRCSA-N 1 0 345.293 -1.060 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001099974276 786433144 /nfs/dbraw/zinc/43/31/44/786433144.db2.gz PHWVQDBSLLYENK-YUMQZZPRSA-N 1 0 345.293 -1.060 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001099974725 792274027 /nfs/dbraw/zinc/27/40/27/792274027.db2.gz UTOVBBUANLRSRZ-NEPJUHHUSA-N 1 0 325.417 -1.397 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C2)n1 ZINC001099974726 792274188 /nfs/dbraw/zinc/27/41/88/792274188.db2.gz UTOVBBUANLRSRZ-NWDGAFQWSA-N 1 0 325.417 -1.397 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001099974727 792274225 /nfs/dbraw/zinc/27/42/25/792274225.db2.gz UTOVBBUANLRSRZ-RYUDHWBXSA-N 1 0 325.417 -1.397 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C2)n1 ZINC001099974728 792273442 /nfs/dbraw/zinc/27/34/42/792273442.db2.gz UTOVBBUANLRSRZ-VXGBXAGGSA-N 1 0 325.417 -1.397 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O ZINC001099975073 792273924 /nfs/dbraw/zinc/27/39/24/792273924.db2.gz YPQSJQIEKCMTGB-GHMZBOCLSA-N 1 0 329.401 -1.926 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001099975074 786434701 /nfs/dbraw/zinc/43/47/01/786434701.db2.gz YPQSJQIEKCMTGB-MNOVXSKESA-N 1 0 329.401 -1.926 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001099975075 786434581 /nfs/dbraw/zinc/43/45/81/786434581.db2.gz YPQSJQIEKCMTGB-QWRGUYRKSA-N 1 0 329.401 -1.926 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O ZINC001099975076 786435508 /nfs/dbraw/zinc/43/55/08/786435508.db2.gz YPQSJQIEKCMTGB-WDEREUQCSA-N 1 0 329.401 -1.926 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099978446 792277207 /nfs/dbraw/zinc/27/72/07/792277207.db2.gz GHOVXRDTDVIFSC-NEPJUHHUSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099978447 792275288 /nfs/dbraw/zinc/27/52/88/792275288.db2.gz GHOVXRDTDVIFSC-NWDGAFQWSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099978448 792275375 /nfs/dbraw/zinc/27/53/75/792275375.db2.gz GHOVXRDTDVIFSC-RYUDHWBXSA-N 1 0 341.412 -1.926 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099978449 792276466 /nfs/dbraw/zinc/27/64/66/792276466.db2.gz GHOVXRDTDVIFSC-VXGBXAGGSA-N 1 0 341.412 -1.926 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cc1=O ZINC001099979090 792275812 /nfs/dbraw/zinc/27/58/12/792275812.db2.gz PENBHDUYGHFGCJ-CHWSQXEVSA-N 1 0 348.403 -1.298 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cc1=O ZINC001099979091 792275266 /nfs/dbraw/zinc/27/52/66/792275266.db2.gz PENBHDUYGHFGCJ-OLZOCXBDSA-N 1 0 348.403 -1.298 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cc1=O ZINC001099979092 792276325 /nfs/dbraw/zinc/27/63/25/792276325.db2.gz PENBHDUYGHFGCJ-QWHCGFSZSA-N 1 0 348.403 -1.298 20 0 EAADRO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cc1=O ZINC001099979093 792276139 /nfs/dbraw/zinc/27/61/39/792276139.db2.gz PENBHDUYGHFGCJ-STQMWFEESA-N 1 0 348.403 -1.298 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980009 792275559 /nfs/dbraw/zinc/27/55/59/792275559.db2.gz AFMKSZYLJAWHSV-NEPJUHHUSA-N 1 0 337.442 -1.357 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980010 786436915 /nfs/dbraw/zinc/43/69/15/786436915.db2.gz AFMKSZYLJAWHSV-NWDGAFQWSA-N 1 0 337.442 -1.357 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980011 786436432 /nfs/dbraw/zinc/43/64/32/786436432.db2.gz AFMKSZYLJAWHSV-RYUDHWBXSA-N 1 0 337.442 -1.357 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980012 786437256 /nfs/dbraw/zinc/43/72/56/786437256.db2.gz AFMKSZYLJAWHSV-VXGBXAGGSA-N 1 0 337.442 -1.357 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980109 792276618 /nfs/dbraw/zinc/27/66/18/792276618.db2.gz BPLNYLGBPNTNSP-NEPJUHHUSA-N 1 0 329.397 -1.534 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980110 792276164 /nfs/dbraw/zinc/27/61/64/792276164.db2.gz BPLNYLGBPNTNSP-NWDGAFQWSA-N 1 0 329.397 -1.534 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980111 792276343 /nfs/dbraw/zinc/27/63/43/792276343.db2.gz BPLNYLGBPNTNSP-RYUDHWBXSA-N 1 0 329.397 -1.534 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980112 792276390 /nfs/dbraw/zinc/27/63/90/792276390.db2.gz BPLNYLGBPNTNSP-VXGBXAGGSA-N 1 0 329.397 -1.534 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980141 792276786 /nfs/dbraw/zinc/27/67/86/792276786.db2.gz CFUAXQVYHIKHAT-NEPJUHHUSA-N 1 0 337.442 -1.357 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980142 792276033 /nfs/dbraw/zinc/27/60/33/792276033.db2.gz CFUAXQVYHIKHAT-NWDGAFQWSA-N 1 0 337.442 -1.357 20 0 EAADRO COCCC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980143 792275347 /nfs/dbraw/zinc/27/53/47/792275347.db2.gz CFUAXQVYHIKHAT-RYUDHWBXSA-N 1 0 337.442 -1.357 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980144 792275792 /nfs/dbraw/zinc/27/57/92/792275792.db2.gz CFUAXQVYHIKHAT-VXGBXAGGSA-N 1 0 337.442 -1.357 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cn1 ZINC001099980237 792276263 /nfs/dbraw/zinc/27/62/63/792276263.db2.gz DRFXDUHUCXAKQB-CHWSQXEVSA-N 1 0 335.408 -1.221 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001099980238 792276525 /nfs/dbraw/zinc/27/65/25/792276525.db2.gz DRFXDUHUCXAKQB-OLZOCXBDSA-N 1 0 335.408 -1.221 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cn1 ZINC001099980239 792275892 /nfs/dbraw/zinc/27/58/92/792275892.db2.gz DRFXDUHUCXAKQB-QWHCGFSZSA-N 1 0 335.408 -1.221 20 0 EAADRO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001099980240 792276975 /nfs/dbraw/zinc/27/69/75/792276975.db2.gz DRFXDUHUCXAKQB-STQMWFEESA-N 1 0 335.408 -1.221 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980321 792278222 /nfs/dbraw/zinc/27/82/22/792278222.db2.gz GCSDWQZHOYXYPL-CHWSQXEVSA-N 1 0 335.408 -1.221 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980322 792278552 /nfs/dbraw/zinc/27/85/52/792278552.db2.gz GCSDWQZHOYXYPL-OLZOCXBDSA-N 1 0 335.408 -1.221 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980323 792279330 /nfs/dbraw/zinc/27/93/30/792279330.db2.gz GCSDWQZHOYXYPL-QWHCGFSZSA-N 1 0 335.408 -1.221 20 0 EAADRO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980324 792279189 /nfs/dbraw/zinc/27/91/89/792279189.db2.gz GCSDWQZHOYXYPL-STQMWFEESA-N 1 0 335.408 -1.221 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001099981031 792278025 /nfs/dbraw/zinc/27/80/25/792278025.db2.gz LJLXAKRYHFEDED-GHMZBOCLSA-N 1 0 339.396 -2.172 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001099981033 792278390 /nfs/dbraw/zinc/27/83/90/792278390.db2.gz LJLXAKRYHFEDED-MNOVXSKESA-N 1 0 339.396 -2.172 20 0 EAADRO NC(=O)C1(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001099981035 792278371 /nfs/dbraw/zinc/27/83/71/792278371.db2.gz LJLXAKRYHFEDED-QWRGUYRKSA-N 1 0 339.396 -2.172 20 0 EAADRO NC(=O)C1(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001099981037 792278436 /nfs/dbraw/zinc/27/84/36/792278436.db2.gz LJLXAKRYHFEDED-WDEREUQCSA-N 1 0 339.396 -2.172 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001099981652 792279518 /nfs/dbraw/zinc/27/95/18/792279518.db2.gz QTPNOCYMFGNZNY-NEPJUHHUSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C1(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001099981653 792278597 /nfs/dbraw/zinc/27/85/97/792278597.db2.gz QTPNOCYMFGNZNY-NWDGAFQWSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C1(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001099981654 792278316 /nfs/dbraw/zinc/27/83/16/792278316.db2.gz QTPNOCYMFGNZNY-RYUDHWBXSA-N 1 0 338.408 -1.574 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001099981655 792278512 /nfs/dbraw/zinc/27/85/12/792278512.db2.gz QTPNOCYMFGNZNY-VXGBXAGGSA-N 1 0 338.408 -1.574 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099981964 786437180 /nfs/dbraw/zinc/43/71/80/786437180.db2.gz WEEICDJCOGYVJL-GHMZBOCLSA-N 1 0 325.406 -1.034 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099981965 786437032 /nfs/dbraw/zinc/43/70/32/786437032.db2.gz WEEICDJCOGYVJL-MNOVXSKESA-N 1 0 325.406 -1.034 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099981966 786436927 /nfs/dbraw/zinc/43/69/27/786436927.db2.gz WEEICDJCOGYVJL-QWRGUYRKSA-N 1 0 325.406 -1.034 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099981967 786436499 /nfs/dbraw/zinc/43/64/99/786436499.db2.gz WEEICDJCOGYVJL-WDEREUQCSA-N 1 0 325.406 -1.034 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)[nH]c1=O ZINC001099983528 792281014 /nfs/dbraw/zinc/28/10/14/792281014.db2.gz MHKOIRUTMUJWEN-CMPLNLGQSA-N 1 0 328.369 -1.700 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)[nH]c1=O ZINC001099983529 792280922 /nfs/dbraw/zinc/28/09/22/792280922.db2.gz MHKOIRUTMUJWEN-JQWIXIFHSA-N 1 0 328.369 -1.700 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)[nH]c1=O ZINC001099983530 792280704 /nfs/dbraw/zinc/28/07/04/792280704.db2.gz MHKOIRUTMUJWEN-PWSUYJOCSA-N 1 0 328.369 -1.700 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)[nH]c1=O ZINC001099983531 792282258 /nfs/dbraw/zinc/28/22/58/792282258.db2.gz MHKOIRUTMUJWEN-ZYHUDNBSSA-N 1 0 328.369 -1.700 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001099983696 792280796 /nfs/dbraw/zinc/28/07/96/792280796.db2.gz OWXOJUSTBHKMPD-AAEUAGOBSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC001099983697 792281165 /nfs/dbraw/zinc/28/11/65/792281165.db2.gz OWXOJUSTBHKMPD-DGCLKSJQSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC001099983698 792281202 /nfs/dbraw/zinc/28/12/02/792281202.db2.gz OWXOJUSTBHKMPD-WCQYABFASA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001099983699 792281358 /nfs/dbraw/zinc/28/13/58/792281358.db2.gz OWXOJUSTBHKMPD-YPMHNXCESA-N 1 0 342.396 -1.046 20 0 EAADRO CCOCCNC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985347 792281735 /nfs/dbraw/zinc/28/17/35/792281735.db2.gz BNAVTXGATWXZMN-KBPBESRZSA-N 1 0 344.456 -1.358 20 0 EAADRO CCOCCNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985348 792281708 /nfs/dbraw/zinc/28/17/08/792281708.db2.gz BNAVTXGATWXZMN-KGLIPLIRSA-N 1 0 344.456 -1.358 20 0 EAADRO CCOCCNC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985349 792281549 /nfs/dbraw/zinc/28/15/49/792281549.db2.gz BNAVTXGATWXZMN-UONOGXRCSA-N 1 0 344.456 -1.358 20 0 EAADRO CCOCCNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985350 792281679 /nfs/dbraw/zinc/28/16/79/792281679.db2.gz BNAVTXGATWXZMN-ZIAGYGMSSA-N 1 0 344.456 -1.358 20 0 EAADRO COCCCNC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986047 792281057 /nfs/dbraw/zinc/28/10/57/792281057.db2.gz HGZZXUAGMLFNHP-KBPBESRZSA-N 1 0 344.456 -1.358 20 0 EAADRO COCCCNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986048 792280859 /nfs/dbraw/zinc/28/08/59/792280859.db2.gz HGZZXUAGMLFNHP-KGLIPLIRSA-N 1 0 344.456 -1.358 20 0 EAADRO COCCCNC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986049 792282109 /nfs/dbraw/zinc/28/21/09/792282109.db2.gz HGZZXUAGMLFNHP-UONOGXRCSA-N 1 0 344.456 -1.358 20 0 EAADRO COCCCNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986050 792280456 /nfs/dbraw/zinc/28/04/56/792280456.db2.gz HGZZXUAGMLFNHP-ZIAGYGMSSA-N 1 0 344.456 -1.358 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCS(C)(=O)=O)C[C@H]1O ZINC001099986360 792282414 /nfs/dbraw/zinc/28/24/14/792282414.db2.gz JNACRTBDESMECF-CHWSQXEVSA-N 1 0 335.470 -1.076 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCS(C)(=O)=O)C[C@@H]1O ZINC001099986361 792280269 /nfs/dbraw/zinc/28/02/69/792280269.db2.gz JNACRTBDESMECF-OLZOCXBDSA-N 1 0 335.470 -1.076 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCS(C)(=O)=O)C[C@H]1O ZINC001099986362 792281102 /nfs/dbraw/zinc/28/11/02/792281102.db2.gz JNACRTBDESMECF-QWHCGFSZSA-N 1 0 335.470 -1.076 20 0 EAADRO CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986520 792281277 /nfs/dbraw/zinc/28/12/77/792281277.db2.gz LYHGMONXVNUMOI-NEPJUHHUSA-N 1 0 343.428 -1.665 20 0 EAADRO CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986521 792280421 /nfs/dbraw/zinc/28/04/21/792280421.db2.gz LYHGMONXVNUMOI-NWDGAFQWSA-N 1 0 343.428 -1.665 20 0 EAADRO CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986522 792280557 /nfs/dbraw/zinc/28/05/57/792280557.db2.gz LYHGMONXVNUMOI-RYUDHWBXSA-N 1 0 343.428 -1.665 20 0 EAADRO CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986523 792281263 /nfs/dbraw/zinc/28/12/63/792281263.db2.gz LYHGMONXVNUMOI-VXGBXAGGSA-N 1 0 343.428 -1.665 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986848 792280750 /nfs/dbraw/zinc/28/07/50/792280750.db2.gz QDKSPCHSPOEDKQ-GHMZBOCLSA-N 1 0 329.401 -2.055 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986849 792280524 /nfs/dbraw/zinc/28/05/24/792280524.db2.gz QDKSPCHSPOEDKQ-MNOVXSKESA-N 1 0 329.401 -2.055 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986850 792280348 /nfs/dbraw/zinc/28/03/48/792280348.db2.gz QDKSPCHSPOEDKQ-QWRGUYRKSA-N 1 0 329.401 -2.055 20 0 EAADRO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986851 792281649 /nfs/dbraw/zinc/28/16/49/792281649.db2.gz QDKSPCHSPOEDKQ-WDEREUQCSA-N 1 0 329.401 -2.055 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCNS(C)(=O)=O)C[C@@H]1O ZINC001099986908 792282674 /nfs/dbraw/zinc/28/26/74/792282674.db2.gz REJKXPBFUYJKGI-NEPJUHHUSA-N 1 0 336.458 -1.961 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(CCNS(C)(=O)=O)C[C@H]1O ZINC001099986909 792282948 /nfs/dbraw/zinc/28/29/48/792282948.db2.gz REJKXPBFUYJKGI-NWDGAFQWSA-N 1 0 336.458 -1.961 20 0 EAADRO NC(=O)c1coc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)c1 ZINC001099999298 792284162 /nfs/dbraw/zinc/28/41/62/792284162.db2.gz VFXXITZJTCVQKH-NEPJUHHUSA-N 1 0 341.364 -1.448 20 0 EAADRO NC(=O)c1coc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1 ZINC001099999299 792285610 /nfs/dbraw/zinc/28/56/10/792285610.db2.gz VFXXITZJTCVQKH-NWDGAFQWSA-N 1 0 341.364 -1.448 20 0 EAADRO NC(=O)c1coc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)c1 ZINC001099999300 792285186 /nfs/dbraw/zinc/28/51/86/792285186.db2.gz VFXXITZJTCVQKH-RYUDHWBXSA-N 1 0 341.364 -1.448 20 0 EAADRO NC(=O)c1coc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1 ZINC001099999301 792283761 /nfs/dbraw/zinc/28/37/61/792283761.db2.gz VFXXITZJTCVQKH-VXGBXAGGSA-N 1 0 341.364 -1.448 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001100000715 792284194 /nfs/dbraw/zinc/28/41/94/792284194.db2.gz JYWBVOKEZYWHCK-GHMZBOCLSA-N 1 0 342.371 -1.161 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001100000716 792285211 /nfs/dbraw/zinc/28/52/11/792285211.db2.gz JYWBVOKEZYWHCK-MNOVXSKESA-N 1 0 342.371 -1.161 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001100000717 792284116 /nfs/dbraw/zinc/28/41/16/792284116.db2.gz JYWBVOKEZYWHCK-QWRGUYRKSA-N 1 0 342.371 -1.161 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001100000718 792285128 /nfs/dbraw/zinc/28/51/28/792285128.db2.gz JYWBVOKEZYWHCK-WDEREUQCSA-N 1 0 342.371 -1.161 20 0 EAADRO Cn1c(=O)cccc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100004276 792283273 /nfs/dbraw/zinc/28/32/73/792283273.db2.gz UDRVWJPIINHFBY-GXTWGEPZSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1c(=O)cccc1C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100004277 792285503 /nfs/dbraw/zinc/28/55/03/792285503.db2.gz UDRVWJPIINHFBY-JSGCOSHPSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1c(=O)cccc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100004278 792284093 /nfs/dbraw/zinc/28/40/93/792284093.db2.gz UDRVWJPIINHFBY-OCCSQVGLSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1c(=O)cccc1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100004279 792283963 /nfs/dbraw/zinc/28/39/63/792283963.db2.gz UDRVWJPIINHFBY-TZMCWYRMSA-N 1 0 339.392 -1.441 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1nccn2ccnc12 ZINC001100005811 792284661 /nfs/dbraw/zinc/28/46/61/792284661.db2.gz IJVBEGCDZFCPQR-CHWSQXEVSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1nccn2ccnc12 ZINC001100005812 792285161 /nfs/dbraw/zinc/28/51/61/792285161.db2.gz IJVBEGCDZFCPQR-OLZOCXBDSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1nccn2ccnc12 ZINC001100005813 792284638 /nfs/dbraw/zinc/28/46/38/792284638.db2.gz IJVBEGCDZFCPQR-QWHCGFSZSA-N 1 0 349.391 -1.097 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1nccn2ccnc12 ZINC001100005814 792285243 /nfs/dbraw/zinc/28/52/43/792285243.db2.gz IJVBEGCDZFCPQR-STQMWFEESA-N 1 0 349.391 -1.097 20 0 EAADRO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100005967 792284074 /nfs/dbraw/zinc/28/40/74/792284074.db2.gz KHWPTLMCFDNPDX-KBPBESRZSA-N 1 0 326.397 -1.248 20 0 EAADRO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100005968 792283692 /nfs/dbraw/zinc/28/36/92/792283692.db2.gz KHWPTLMCFDNPDX-KGLIPLIRSA-N 1 0 326.397 -1.248 20 0 EAADRO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001100005969 792285062 /nfs/dbraw/zinc/28/50/62/792285062.db2.gz KHWPTLMCFDNPDX-UONOGXRCSA-N 1 0 326.397 -1.248 20 0 EAADRO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001100005970 792283728 /nfs/dbraw/zinc/28/37/28/792283728.db2.gz KHWPTLMCFDNPDX-ZIAGYGMSSA-N 1 0 326.397 -1.248 20 0 EAADRO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001100008657 792286747 /nfs/dbraw/zinc/28/67/47/792286747.db2.gz LXRVLOMKDIHFEM-KBPBESRZSA-N 1 0 348.411 -1.409 20 0 EAADRO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001100008658 792286403 /nfs/dbraw/zinc/28/64/03/792286403.db2.gz LXRVLOMKDIHFEM-KGLIPLIRSA-N 1 0 348.411 -1.409 20 0 EAADRO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001100008659 792287453 /nfs/dbraw/zinc/28/74/53/792287453.db2.gz LXRVLOMKDIHFEM-UONOGXRCSA-N 1 0 348.411 -1.409 20 0 EAADRO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001100008660 792286189 /nfs/dbraw/zinc/28/61/89/792286189.db2.gz LXRVLOMKDIHFEM-ZIAGYGMSSA-N 1 0 348.411 -1.409 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001100008993 792287396 /nfs/dbraw/zinc/28/73/96/792287396.db2.gz QYDLCBYWCRUVKZ-GWCFXTLKSA-N 1 0 340.380 -1.713 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001100008994 792287010 /nfs/dbraw/zinc/28/70/10/792287010.db2.gz QYDLCBYWCRUVKZ-GXFFZTMASA-N 1 0 340.380 -1.713 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001100008995 792286836 /nfs/dbraw/zinc/28/68/36/792286836.db2.gz QYDLCBYWCRUVKZ-MFKMUULPSA-N 1 0 340.380 -1.713 20 0 EAADRO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001100008996 792286317 /nfs/dbraw/zinc/28/63/17/792286317.db2.gz QYDLCBYWCRUVKZ-ZWNOBZJWSA-N 1 0 340.380 -1.713 20 0 EAADRO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100009409 792286875 /nfs/dbraw/zinc/28/68/75/792286875.db2.gz XRWBQALMZAPINT-KBPBESRZSA-N 1 0 341.412 -1.692 20 0 EAADRO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100009410 792287493 /nfs/dbraw/zinc/28/74/93/792287493.db2.gz XRWBQALMZAPINT-KGLIPLIRSA-N 1 0 341.412 -1.692 20 0 EAADRO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001100009411 792286594 /nfs/dbraw/zinc/28/65/94/792286594.db2.gz XRWBQALMZAPINT-UONOGXRCSA-N 1 0 341.412 -1.692 20 0 EAADRO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001100009412 792287556 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CC[NH+](CC)CC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O ZINC001100047898 786455440 /nfs/dbraw/zinc/45/54/40/786455440.db2.gz CDXVQBUPTZGFPH-RYUDHWBXSA-N 1 0 325.417 -1.397 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O ZINC001100047899 786455091 /nfs/dbraw/zinc/45/50/91/786455091.db2.gz CDXVQBUPTZGFPH-VXGBXAGGSA-N 1 0 325.417 -1.397 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O ZINC001100047980 792329095 /nfs/dbraw/zinc/32/90/95/792329095.db2.gz DKOQWAGUBHCSMY-CHWSQXEVSA-N 1 0 335.470 -1.076 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O ZINC001100047981 792328377 /nfs/dbraw/zinc/32/83/77/792328377.db2.gz DKOQWAGUBHCSMY-OLZOCXBDSA-N 1 0 335.470 -1.076 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O ZINC001100047982 786454672 /nfs/dbraw/zinc/45/46/72/786454672.db2.gz DKOQWAGUBHCSMY-QWHCGFSZSA-N 1 0 335.470 -1.076 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O ZINC001100047983 786454938 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CC[NH+](CC)CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001100049033 792328703 /nfs/dbraw/zinc/32/87/03/792328703.db2.gz VXRWXJSGSBGILP-NWDGAFQWSA-N 1 0 340.428 -1.498 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC001100049034 792328292 /nfs/dbraw/zinc/32/82/92/792328292.db2.gz VXRWXJSGSBGILP-RYUDHWBXSA-N 1 0 340.428 -1.498 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001100049035 792328198 /nfs/dbraw/zinc/32/81/98/792328198.db2.gz VXRWXJSGSBGILP-VXGBXAGGSA-N 1 0 340.428 -1.498 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100049252 792329014 /nfs/dbraw/zinc/32/90/14/792329014.db2.gz ZOLIXIOZJRYBCV-NEPJUHHUSA-N 1 0 343.428 -1.665 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(CC(=O)NC(=O)NC)C[C@H]1O ZINC001100049253 786456972 /nfs/dbraw/zinc/45/69/72/786456972.db2.gz ZOLIXIOZJRYBCV-NWDGAFQWSA-N 1 0 343.428 -1.665 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100049254 786456068 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NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)c1 ZINC001100051389 792330911 /nfs/dbraw/zinc/33/09/11/792330911.db2.gz WUAUHMLRIMQIDC-AAEUAGOBSA-N 1 0 340.380 -1.713 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1 ZINC001100051390 792330661 /nfs/dbraw/zinc/33/06/61/792330661.db2.gz WUAUHMLRIMQIDC-DGCLKSJQSA-N 1 0 340.380 -1.713 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1 ZINC001100051391 792333275 /nfs/dbraw/zinc/33/32/75/792333275.db2.gz WUAUHMLRIMQIDC-WCQYABFASA-N 1 0 340.380 -1.713 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)c1 ZINC001100051392 792333307 /nfs/dbraw/zinc/33/33/07/792333307.db2.gz WUAUHMLRIMQIDC-YPMHNXCESA-N 1 0 340.380 -1.713 20 0 EAADRO CCn1cc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001100052808 786457147 /nfs/dbraw/zinc/45/71/47/786457147.db2.gz FFNWLTRVHZEBBX-AAEUAGOBSA-N 1 0 327.385 -1.528 20 0 EAADRO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)nn1 ZINC001100052809 786456797 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EAADRO Cn1cccc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)c1=O ZINC001100075870 792359099 /nfs/dbraw/zinc/35/90/99/792359099.db2.gz BNBOOYZCXOWWFP-KGLIPLIRSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1cccc(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1=O ZINC001100075871 792356076 /nfs/dbraw/zinc/35/60/76/792356076.db2.gz BNBOOYZCXOWWFP-UONOGXRCSA-N 1 0 339.392 -1.441 20 0 EAADRO Cn1cccc(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)c1=O ZINC001100075872 792356526 /nfs/dbraw/zinc/35/65/26/792356526.db2.gz BNBOOYZCXOWWFP-ZIAGYGMSSA-N 1 0 339.392 -1.441 20 0 EAADRO CN(C)C(=O)CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075885 786461260 /nfs/dbraw/zinc/46/12/60/786461260.db2.gz BQOMASMGKBQLPM-CHWSQXEVSA-N 1 0 330.429 -1.796 20 0 EAADRO CN(C)C(=O)CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075886 786460389 /nfs/dbraw/zinc/46/03/89/786460389.db2.gz BQOMASMGKBQLPM-OLZOCXBDSA-N 1 0 330.429 -1.796 20 0 EAADRO CN(C)C(=O)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075887 786460932 /nfs/dbraw/zinc/46/09/32/786460932.db2.gz BQOMASMGKBQLPM-QWHCGFSZSA-N 1 0 330.429 -1.796 20 0 EAADRO CN(C)C(=O)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075888 786460789 /nfs/dbraw/zinc/46/07/89/786460789.db2.gz BQOMASMGKBQLPM-STQMWFEESA-N 1 0 330.429 -1.796 20 0 EAADRO CC(C)NC(=O)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076049 786461472 /nfs/dbraw/zinc/46/14/72/786461472.db2.gz FNDFCSDZJIHRLK-KBPBESRZSA-N 1 0 344.456 -1.359 20 0 EAADRO CC(C)NC(=O)CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076050 786461284 /nfs/dbraw/zinc/46/12/84/786461284.db2.gz FNDFCSDZJIHRLK-KGLIPLIRSA-N 1 0 344.456 -1.359 20 0 EAADRO CC(C)NC(=O)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076051 786461460 /nfs/dbraw/zinc/46/14/60/786461460.db2.gz FNDFCSDZJIHRLK-UONOGXRCSA-N 1 0 344.456 -1.359 20 0 EAADRO CC(C)NC(=O)CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076052 786461618 /nfs/dbraw/zinc/46/16/18/786461618.db2.gz FNDFCSDZJIHRLK-ZIAGYGMSSA-N 1 0 344.456 -1.359 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001100076053 786461283 /nfs/dbraw/zinc/46/12/83/786461283.db2.gz FQVWGANHPIWVFM-NEPJUHHUSA-N 1 0 341.416 -2.160 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)n1 ZINC001100076054 786460971 /nfs/dbraw/zinc/46/09/71/786460971.db2.gz FQVWGANHPIWVFM-NWDGAFQWSA-N 1 0 341.416 -2.160 20 0 EAADRO Cn1nnc(CN2CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001100076055 786461337 /nfs/dbraw/zinc/46/13/37/786461337.db2.gz FQVWGANHPIWVFM-RYUDHWBXSA-N 1 0 341.416 -2.160 20 0 EAADRO Cn1nnc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)n1 ZINC001100076056 786460493 /nfs/dbraw/zinc/46/04/93/786460493.db2.gz FQVWGANHPIWVFM-VXGBXAGGSA-N 1 0 341.416 -2.160 20 0 EAADRO Cn1cc(CN2CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)nn1 ZINC001100076149 792359787 /nfs/dbraw/zinc/35/97/87/792359787.db2.gz HGQNSZILMIPKKP-KBPBESRZSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1cc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)nn1 ZINC001100076150 792361280 /nfs/dbraw/zinc/36/12/80/792361280.db2.gz HGQNSZILMIPKKP-KGLIPLIRSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1cc(CN2CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)nn1 ZINC001100076151 792360934 /nfs/dbraw/zinc/36/09/34/792360934.db2.gz HGQNSZILMIPKKP-UONOGXRCSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1cc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)nn1 ZINC001100076152 792361428 /nfs/dbraw/zinc/36/14/28/792361428.db2.gz HGQNSZILMIPKKP-ZIAGYGMSSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1ncc(CN2CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001100076193 792361208 /nfs/dbraw/zinc/36/12/08/792361208.db2.gz HXRVRMXCVHYGEY-KBPBESRZSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1ncc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001100076194 792361068 /nfs/dbraw/zinc/36/10/68/792361068.db2.gz HXRVRMXCVHYGEY-KGLIPLIRSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1ncc(CN2CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)n1 ZINC001100076195 792361738 /nfs/dbraw/zinc/36/17/38/792361738.db2.gz HXRVRMXCVHYGEY-UONOGXRCSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1ncc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)n1 ZINC001100076196 792360807 /nfs/dbraw/zinc/36/08/07/792360807.db2.gz HXRVRMXCVHYGEY-ZIAGYGMSSA-N 1 0 340.428 -1.555 20 0 EAADRO CCNC(=O)CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076337 786461506 /nfs/dbraw/zinc/46/15/06/786461506.db2.gz JOYGGIFIGBQGPP-CHWSQXEVSA-N 1 0 330.429 -1.748 20 0 EAADRO CCNC(=O)CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076338 786461325 /nfs/dbraw/zinc/46/13/25/786461325.db2.gz JOYGGIFIGBQGPP-OLZOCXBDSA-N 1 0 330.429 -1.748 20 0 EAADRO CCNC(=O)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076339 786461299 /nfs/dbraw/zinc/46/12/99/786461299.db2.gz JOYGGIFIGBQGPP-QWHCGFSZSA-N 1 0 330.429 -1.748 20 0 EAADRO CCNC(=O)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076340 786461192 /nfs/dbraw/zinc/46/11/92/786461192.db2.gz JOYGGIFIGBQGPP-STQMWFEESA-N 1 0 330.429 -1.748 20 0 EAADRO CCCNC(=O)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076433 792360536 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Cn1ncnc1CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076547 786461134 /nfs/dbraw/zinc/46/11/34/786461134.db2.gz MYOITFAGSPKKQI-QWHCGFSZSA-N 1 0 340.428 -1.555 20 0 EAADRO Cn1ncnc1CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076548 786461411 /nfs/dbraw/zinc/46/14/11/786461411.db2.gz MYOITFAGSPKKQI-STQMWFEESA-N 1 0 340.428 -1.555 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@H]1O ZINC001100076653 786461167 /nfs/dbraw/zinc/46/11/67/786461167.db2.gz OSXAZXAJGDWPHM-CHWSQXEVSA-N 1 0 327.385 -1.301 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@@H]1O ZINC001100076654 786461497 /nfs/dbraw/zinc/46/14/97/786461497.db2.gz OSXAZXAJGDWPHM-OLZOCXBDSA-N 1 0 327.385 -1.301 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@H]1O ZINC001100076655 786461268 /nfs/dbraw/zinc/46/12/68/786461268.db2.gz OSXAZXAJGDWPHM-QWHCGFSZSA-N 1 0 327.385 -1.301 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@@H]1O ZINC001100076656 786461246 /nfs/dbraw/zinc/46/12/46/786461246.db2.gz OSXAZXAJGDWPHM-STQMWFEESA-N 1 0 327.385 -1.301 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076789 792361752 /nfs/dbraw/zinc/36/17/52/792361752.db2.gz RJCFWYXKWQUZTE-NEPJUHHUSA-N 1 0 341.416 -2.160 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076790 792361514 /nfs/dbraw/zinc/36/15/14/792361514.db2.gz RJCFWYXKWQUZTE-NWDGAFQWSA-N 1 0 341.416 -2.160 20 0 EAADRO Cn1nnnc1CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076791 792360433 /nfs/dbraw/zinc/36/04/33/792360433.db2.gz RJCFWYXKWQUZTE-RYUDHWBXSA-N 1 0 341.416 -2.160 20 0 EAADRO Cn1nnnc1CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076792 792360821 /nfs/dbraw/zinc/36/08/21/792360821.db2.gz RJCFWYXKWQUZTE-VXGBXAGGSA-N 1 0 341.416 -2.160 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O ZINC001100076805 786461320 /nfs/dbraw/zinc/46/13/20/786461320.db2.gz ROJUJIDNANVDLU-KBPBESRZSA-N 1 0 342.440 -1.605 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O ZINC001100076806 786461094 /nfs/dbraw/zinc/46/10/94/786461094.db2.gz ROJUJIDNANVDLU-KGLIPLIRSA-N 1 0 342.440 -1.605 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O ZINC001100076807 786461710 /nfs/dbraw/zinc/46/17/10/786461710.db2.gz ROJUJIDNANVDLU-UONOGXRCSA-N 1 0 342.440 -1.605 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O ZINC001100076808 786460688 /nfs/dbraw/zinc/46/06/88/786460688.db2.gz ROJUJIDNANVDLU-ZIAGYGMSSA-N 1 0 342.440 -1.605 20 0 EAADRO Cc1nnc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)[nH]1 ZINC001100077001 792360752 /nfs/dbraw/zinc/36/07/52/792360752.db2.gz WLNLEOQOARIVMN-CHWSQXEVSA-N 1 0 340.428 -1.257 20 0 EAADRO Cc1nnc(CN2CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)[nH]1 ZINC001100077002 792360308 /nfs/dbraw/zinc/36/03/08/792360308.db2.gz WLNLEOQOARIVMN-OLZOCXBDSA-N 1 0 340.428 -1.257 20 0 EAADRO Cc1nnc(CN2CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C2)[nH]1 ZINC001100077003 792360375 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CNC(=O)C[NH2+]C1CC(CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC001100510478 792440724 /nfs/dbraw/zinc/44/07/24/792440724.db2.gz INTNTNZPOVHATK-UHFFFAOYSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]([NH2+]C1CC(CNC(=O)CN2CCCCS2(=O)=O)C1)C(N)=O ZINC001100510744 792441730 /nfs/dbraw/zinc/44/17/30/792441730.db2.gz WIOWNHOYGVFQHB-UNXYVOJBSA-N 1 0 346.453 -1.230 20 0 EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)CN2CCCCS2(=O)=O)C1)C(N)=O ZINC001100510745 792440501 /nfs/dbraw/zinc/44/05/01/792440501.db2.gz WIOWNHOYGVFQHB-VOMCLLRMSA-N 1 0 346.453 -1.230 20 0 EAADRO NC(=O)C[NH2+]C1CC(CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC001100512726 785151586 /nfs/dbraw/zinc/15/15/86/785151586.db2.gz PAODIEMNEGLPEE-UHFFFAOYSA-N 1 0 332.426 -1.618 20 0 EAADRO NC(=O)C[NH2+]C1CC(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001100519074 792440752 /nfs/dbraw/zinc/44/07/52/792440752.db2.gz NSXOLKQUAGFPKC-HCWSGVFWSA-N 1 0 326.397 -1.231 20 0 EAADRO Cn1cc(C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)ncc1=O ZINC001100520060 792440849 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CC[C@@H]([NH2+]C1CC(CNC(=O)CCn2ncn(C)c2=O)C1)C(N)=O ZINC001100533879 792443169 /nfs/dbraw/zinc/44/31/69/792443169.db2.gz CKJISZVBGKSMDH-HTAVTVPLSA-N 1 0 338.412 -1.280 20 0 EAADRO CC[C@H]([NH2+]C1CC(CNC(=O)CCn2ncn(C)c2=O)C1)C(N)=O ZINC001100533880 792442824 /nfs/dbraw/zinc/44/28/24/792442824.db2.gz CKJISZVBGKSMDH-MCIGGMRASA-N 1 0 338.412 -1.280 20 0 EAADRO Cn1cnn(CCC(=O)NCC2CC([NH2+]CCn3cncn3)C2)c1=O ZINC001100533905 792443383 /nfs/dbraw/zinc/44/33/83/792443383.db2.gz DTKLXHPZQOOMBU-UHFFFAOYSA-N 1 0 348.411 -1.252 20 0 EAADRO Cn1cnn(CCC(=O)NCC2CC([NH2+]Cc3cnnn3C)C2)c1=O ZINC001100533925 792442847 /nfs/dbraw/zinc/44/28/47/792442847.db2.gz FIGZOZMFNQAUKH-UHFFFAOYSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cc(C[NH2+]C2CC(CNC(=O)CCn3ncn(C)c3=O)C2)nn1 ZINC001100533988 792443371 /nfs/dbraw/zinc/44/33/71/792443371.db2.gz IIWIYTCKNFTGJJ-UHFFFAOYSA-N 1 0 348.411 -1.215 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001100534069 792442499 /nfs/dbraw/zinc/44/24/99/792442499.db2.gz LSEVJZITHTULCB-UHFFFAOYSA-N 1 0 337.336 -1.329 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CC(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001100534102 792442451 /nfs/dbraw/zinc/44/24/51/792442451.db2.gz NHNGJEBPTHAWKW-UHFFFAOYSA-N 1 0 338.412 -1.456 20 0 EAADRO Cn1cnn(CCC(=O)NCC2CC([NH2+]Cc3ncnn3C)C2)c1=O ZINC001100534129 792442924 /nfs/dbraw/zinc/44/29/24/792442924.db2.gz PQCQRDWNGWYPMV-UHFFFAOYSA-N 1 0 348.411 -1.215 20 0 EAADRO Cn1cnn(CCC(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)c1=O ZINC001100534162 792442262 /nfs/dbraw/zinc/44/22/62/792442262.db2.gz QXQKIFSIZYCWCN-HTAVTVPLSA-N 1 0 336.396 -1.655 20 0 EAADRO Cn1cnn(CCC(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)c1=O ZINC001100534163 792443005 /nfs/dbraw/zinc/44/30/05/792443005.db2.gz QXQKIFSIZYCWCN-MCIGGMRASA-N 1 0 336.396 -1.655 20 0 EAADRO CCNC(=O)C[NH2+]C1CC(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001100534298 785162404 /nfs/dbraw/zinc/16/24/04/785162404.db2.gz YMJPCKWIAYPVEI-UHFFFAOYSA-N 1 0 338.412 -1.408 20 0 EAADRO Cn1cnnc1C[NH2+]C1CC(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001100534996 792443186 /nfs/dbraw/zinc/44/31/86/792443186.db2.gz IWIYGCTZGJIMQS-UHFFFAOYSA-N 1 0 348.411 -1.215 20 0 EAADRO CCC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001100536093 792442328 /nfs/dbraw/zinc/44/23/28/792442328.db2.gz JVJZMFVWPGYFHU-ILDUYXDCSA-N 1 0 334.442 -1.326 20 0 EAADRO CCC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001100536094 792442989 /nfs/dbraw/zinc/44/29/89/792442989.db2.gz JVJZMFVWPGYFHU-VQXHTEKXSA-N 1 0 334.442 -1.326 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001100537026 785164498 /nfs/dbraw/zinc/16/44/98/785164498.db2.gz AGVFQHRBABJRQX-ILDUYXDCSA-N 1 0 347.441 -2.245 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001100537027 785164382 /nfs/dbraw/zinc/16/43/82/785164382.db2.gz AGVFQHRBABJRQX-VQXHTEKXSA-N 1 0 347.441 -2.245 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100537036 792442952 /nfs/dbraw/zinc/44/29/52/792442952.db2.gz AUCUMKBETJTVMJ-UHFFFAOYSA-N 1 0 345.429 -2.184 20 0 EAADRO 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NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001100614562 792447974 /nfs/dbraw/zinc/44/79/74/792447974.db2.gz YHTWZJCSUCFECO-UDNWOFFPSA-N 1 0 349.395 -1.096 20 0 EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)c2c[nH]c(=O)cn2)C1)C(=O)NC(N)=O ZINC001100614643 792447253 /nfs/dbraw/zinc/44/72/53/792447253.db2.gz BTIKMBOEDQSXBR-AFPNSQJFSA-N 1 0 336.352 -1.549 20 0 EAADRO C[C@H]([NH2+]C1CC(CNC(=O)c2c[nH]c(=O)cn2)C1)C(=O)NC(N)=O ZINC001100614644 792447282 /nfs/dbraw/zinc/44/72/82/792447282.db2.gz BTIKMBOEDQSXBR-UEJVZZJDSA-N 1 0 336.352 -1.549 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001100614864 792447166 /nfs/dbraw/zinc/44/71/66/792447166.db2.gz JKFFHRIVBUETBP-UHFFFAOYSA-N 1 0 343.409 -1.583 20 0 EAADRO O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)Nc1cnccn1 ZINC001100618329 792447354 /nfs/dbraw/zinc/44/73/54/792447354.db2.gz DBZLOOZEEQACDL-ILDUYXDCSA-N 1 0 347.379 -1.419 20 0 EAADRO O=C(C[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)Nc1cnccn1 ZINC001100618330 792447946 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COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100618486 792447601 /nfs/dbraw/zinc/44/76/01/792447601.db2.gz KPODLLWSRCQDKP-MCIGGMRASA-N 1 0 341.412 -1.695 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001100618514 792447881 /nfs/dbraw/zinc/44/78/81/792447881.db2.gz LTKIENISUXQVFK-HTAVTVPLSA-N 1 0 341.412 -1.695 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100618515 792447445 /nfs/dbraw/zinc/44/74/45/792447445.db2.gz LTKIENISUXQVFK-MCIGGMRASA-N 1 0 341.412 -1.695 20 0 EAADRO CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100618588 792447101 /nfs/dbraw/zinc/44/71/01/792447101.db2.gz OXJZIBYTQIKZCR-BPCQOVAHSA-N 1 0 341.412 -1.695 20 0 EAADRO CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001100618589 792447156 /nfs/dbraw/zinc/44/71/56/792447156.db2.gz OXJZIBYTQIKZCR-WXRRBKDZSA-N 1 0 341.412 -1.695 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100618665 792448011 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CS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100619724 785210918 /nfs/dbraw/zinc/21/09/18/785210918.db2.gz FAXUCJLCBLNYSO-ILDUYXDCSA-N 1 0 332.426 -1.413 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001100619725 785211239 /nfs/dbraw/zinc/21/12/39/785211239.db2.gz FAXUCJLCBLNYSO-VQXHTEKXSA-N 1 0 332.426 -1.413 20 0 EAADRO CC(C)CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001100620010 792447089 /nfs/dbraw/zinc/44/70/89/792447089.db2.gz RXKSFWMYSZNXSJ-HTAVTVPLSA-N 1 0 325.413 -1.076 20 0 EAADRO CC(C)CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100620011 792446991 /nfs/dbraw/zinc/44/69/91/792446991.db2.gz RXKSFWMYSZNXSJ-MCIGGMRASA-N 1 0 325.413 -1.076 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100620053 792447889 /nfs/dbraw/zinc/44/78/89/792447889.db2.gz UEBYXJHQYMYVPM-RTBKNWGFSA-N 1 0 333.414 -2.299 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001100620054 792447798 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NS(=O)(=O)CCCC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100622477 792447807 /nfs/dbraw/zinc/44/78/07/792447807.db2.gz TXBAMORQLIUNLY-UHFFFAOYSA-N 1 0 346.453 -1.228 20 0 EAADRO NC(=O)C1(C(=O)NCC2CC([NH2+]C[C@H](O)Cn3cccn3)C2)CC1 ZINC001100623395 792447506 /nfs/dbraw/zinc/44/75/06/792447506.db2.gz LPTWSHCJRCGFJB-BPCQOVAHSA-N 1 0 335.408 -1.006 20 0 EAADRO NC(=O)C1(C(=O)NCC2CC([NH2+]C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001100623396 792447782 /nfs/dbraw/zinc/44/77/82/792447782.db2.gz LPTWSHCJRCGFJB-WXRRBKDZSA-N 1 0 335.408 -1.006 20 0 EAADRO CC[C@H]([NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1)C(N)=O ZINC001100624234 792447394 /nfs/dbraw/zinc/44/73/94/792447394.db2.gz AGNMDETUKPRPCJ-ILDUYXDCSA-N 1 0 334.442 -1.197 20 0 EAADRO CC[C@@H]([NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1)C(N)=O ZINC001100624235 792447990 /nfs/dbraw/zinc/44/79/90/792447990.db2.gz AGNMDETUKPRPCJ-VQXHTEKXSA-N 1 0 334.442 -1.197 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001100624246 792446864 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Cn1cc(C[NH2+]C2CC(CNC(=O)CCCS(N)(=O)=O)C2)nn1 ZINC001100624316 785215372 /nfs/dbraw/zinc/21/53/72/785215372.db2.gz DRHLLEWSQUSJHC-UHFFFAOYSA-N 1 0 344.441 -1.132 20 0 EAADRO CN1CC[C@@H]([NH2+]C2CC(CNC(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001100624384 792449854 /nfs/dbraw/zinc/44/98/54/792449854.db2.gz IWRONNWLWNLDOJ-HTAVTVPLSA-N 1 0 346.453 -1.230 20 0 EAADRO CN1CC[C@H]([NH2+]C2CC(CNC(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001100624385 792448802 /nfs/dbraw/zinc/44/88/02/792448802.db2.gz IWRONNWLWNLDOJ-MCIGGMRASA-N 1 0 346.453 -1.230 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100624465 792449143 /nfs/dbraw/zinc/44/91/43/792449143.db2.gz MIZPZXACTFLENK-UHFFFAOYSA-N 1 0 337.442 -1.452 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100624490 792448676 /nfs/dbraw/zinc/44/86/76/792448676.db2.gz NWTIWQQZQSLXCJ-UHFFFAOYSA-N 1 0 344.441 -1.169 20 0 EAADRO Cn1ncnc1C[NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001100624493 792448831 /nfs/dbraw/zinc/44/88/31/792448831.db2.gz OHZYBDVUTDXGFU-UHFFFAOYSA-N 1 0 344.441 -1.132 20 0 EAADRO CCNC(=O)C[NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001100624540 785215636 /nfs/dbraw/zinc/21/56/36/785215636.db2.gz QKZVBIPRGWXIEO-UHFFFAOYSA-N 1 0 334.442 -1.324 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100624594 785216492 /nfs/dbraw/zinc/21/64/92/785216492.db2.gz TWZRATLGHGUVBX-UHFFFAOYSA-N 1 0 346.453 -1.182 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001100624601 785216117 /nfs/dbraw/zinc/21/61/17/785216117.db2.gz UGLFNVDMLCEFBQ-UHFFFAOYSA-N 1 0 349.413 -2.266 20 0 EAADRO COC[C@H](O)C[NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001100624615 792449118 /nfs/dbraw/zinc/44/91/18/792449118.db2.gz UQSFZEPMYPEWIA-HTAVTVPLSA-N 1 0 337.442 -1.453 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001100624616 792449195 /nfs/dbraw/zinc/44/91/95/792449195.db2.gz UQSFZEPMYPEWIA-MCIGGMRASA-N 1 0 337.442 -1.453 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001100624711 785214837 /nfs/dbraw/zinc/21/48/37/785214837.db2.gz YBLPOQLGGBPHFE-UHFFFAOYSA-N 1 0 334.442 -1.372 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100624731 792449150 /nfs/dbraw/zinc/44/91/50/792449150.db2.gz ZLDRCJMYPNLIHH-ILDUYXDCSA-N 1 0 332.426 -1.572 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100624732 792448892 /nfs/dbraw/zinc/44/88/92/792448892.db2.gz ZLDRCJMYPNLIHH-VQXHTEKXSA-N 1 0 332.426 -1.572 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]CC(=O)Nc2ccccc2C(N)=O)C1 ZINC001100627251 792449094 /nfs/dbraw/zinc/44/90/94/792449094.db2.gz BDDNDCCNRLDKTO-UHFFFAOYSA-N 1 0 347.375 -1.306 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001100627265 792449323 /nfs/dbraw/zinc/44/93/23/792449323.db2.gz BYLWRMXBAXUFGY-GDKBPFBDSA-N 1 0 338.408 -1.407 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001100627266 792448941 /nfs/dbraw/zinc/44/89/41/792448941.db2.gz BYLWRMXBAXUFGY-KGPNIALWSA-N 1 0 338.408 -1.407 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC2CCCC2)C1 ZINC001100627387 792449607 /nfs/dbraw/zinc/44/96/07/792449607.db2.gz IDLQJYXZGJRFJU-UHFFFAOYSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@H]([NH2+]C1CC(CNC(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001100627550 792449166 /nfs/dbraw/zinc/44/91/66/792449166.db2.gz KRHAILCJWPXGDX-IDKOKCKLSA-N 1 0 341.412 -1.031 20 0 EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001100627551 792449597 /nfs/dbraw/zinc/44/95/97/792449597.db2.gz KRHAILCJWPXGDX-XNWIYYODSA-N 1 0 341.412 -1.031 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]C2CC(CNC(=O)C(N)=O)C2)s1 ZINC001100627617 792449045 /nfs/dbraw/zinc/44/90/45/792449045.db2.gz NLBNWKPSMIJRKX-UHFFFAOYSA-N 1 0 326.382 -1.245 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100627727 785218354 /nfs/dbraw/zinc/21/83/54/785218354.db2.gz NVVWAHVZRGBVED-UHFFFAOYSA-N 1 0 341.412 -2.013 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]C1CC(CNC(=O)C(N)=O)C1)[nH]c2=O ZINC001100627750 792449008 /nfs/dbraw/zinc/44/90/08/792449008.db2.gz ONCCYTSVYWPEKJ-UHFFFAOYSA-N 1 0 333.352 -1.461 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001100627802 792449085 /nfs/dbraw/zinc/44/90/85/792449085.db2.gz QMQIHNOJTPOHSL-AMDVSUOASA-N 1 0 327.303 -1.104 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001100627803 792449158 /nfs/dbraw/zinc/44/91/58/792449158.db2.gz QMQIHNOJTPOHSL-HACHORDNSA-N 1 0 327.303 -1.104 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CC(CNC(=O)C(N)=O)C2)C1 ZINC001100628004 792449791 /nfs/dbraw/zinc/44/97/91/792449791.db2.gz WPQIPCDVSYUQPQ-KPPDAEKUSA-N 1 0 332.426 -1.762 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CC(CNC(=O)C(N)=O)C2)C1 ZINC001100628005 792449186 /nfs/dbraw/zinc/44/91/86/792449186.db2.gz WPQIPCDVSYUQPQ-WHXUTIOJSA-N 1 0 332.426 -1.762 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]C3CC(CNC(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001100628255 792449244 /nfs/dbraw/zinc/44/92/44/792449244.db2.gz ATWVAMLMLGMCDI-HTAVTVPLSA-N 1 0 348.407 -1.196 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]C3CC(CNC(=O)C(N)=O)C3)C2=O)n(C)n1 ZINC001100628256 792449490 /nfs/dbraw/zinc/44/94/90/792449490.db2.gz ATWVAMLMLGMCDI-MCIGGMRASA-N 1 0 348.407 -1.196 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001100628264 792448619 /nfs/dbraw/zinc/44/86/19/792448619.db2.gz BFOPKBVAQWNKDN-UNXYVOJBSA-N 1 0 336.396 -1.216 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001100628265 792449216 /nfs/dbraw/zinc/44/92/16/792449216.db2.gz BFOPKBVAQWNKDN-VOMCLLRMSA-N 1 0 336.396 -1.216 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]C2CC(CNC(=O)C(N)=O)C2)CC1 ZINC001100628276 792449671 /nfs/dbraw/zinc/44/96/71/792449671.db2.gz BLOGZWAYZSCOQL-UHFFFAOYSA-N 1 0 339.396 -2.353 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]C3CC(CNC(=O)C(N)=O)C3)C2=O)cn1 ZINC001100628280 792449306 /nfs/dbraw/zinc/44/93/06/792449306.db2.gz BSYGUBUFHMBTSY-GCZXYKMCSA-N 1 0 348.407 -1.115 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]C3CC(CNC(=O)C(N)=O)C3)C2=O)cn1 ZINC001100628281 792449257 /nfs/dbraw/zinc/44/92/57/792449257.db2.gz BSYGUBUFHMBTSY-XIVSLSHWSA-N 1 0 348.407 -1.115 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628333 785217897 /nfs/dbraw/zinc/21/78/97/785217897.db2.gz DJRXTIAHAKSGOI-UHFFFAOYSA-N 1 0 335.426 -1.593 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628335 785217171 /nfs/dbraw/zinc/21/71/71/785217171.db2.gz DMDVXJMTRJUNMP-IDKOKCKLSA-N 1 0 327.385 -1.421 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628336 785217584 /nfs/dbraw/zinc/21/75/84/785217584.db2.gz DMDVXJMTRJUNMP-XNWIYYODSA-N 1 0 327.385 -1.421 20 0 EAADRO C[C@H](NC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1)C(=O)N(C)C ZINC001100628344 792449722 /nfs/dbraw/zinc/44/97/22/792449722.db2.gz DOUMCTXLADNTLE-IDKOKCKLSA-N 1 0 327.385 -2.451 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1)C(=O)N(C)C ZINC001100628345 792449229 /nfs/dbraw/zinc/44/92/29/792449229.db2.gz DOUMCTXLADNTLE-XNWIYYODSA-N 1 0 327.385 -2.451 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628362 792449063 /nfs/dbraw/zinc/44/90/63/792449063.db2.gz FIXOFBIAZLZVMH-UHFFFAOYSA-N 1 0 336.396 -1.652 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C3CC(CNC(=O)C(N)=O)C3)C2=O)n1 ZINC001100628375 792448970 /nfs/dbraw/zinc/44/89/70/792448970.db2.gz GHRCIKNADXYQFL-ILDUYXDCSA-N 1 0 334.380 -1.505 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]C3CC(CNC(=O)C(N)=O)C3)C2=O)n1 ZINC001100628376 792449334 /nfs/dbraw/zinc/44/93/34/792449334.db2.gz GHRCIKNADXYQFL-VQXHTEKXSA-N 1 0 334.380 -1.505 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628412 792449776 /nfs/dbraw/zinc/44/97/76/792449776.db2.gz HWXRKDVLIRQGQK-UHFFFAOYSA-N 1 0 336.396 -1.055 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628448 785218503 /nfs/dbraw/zinc/21/85/03/785218503.db2.gz JVLHPURPPGFVNM-UHFFFAOYSA-N 1 0 327.385 -1.418 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001100628465 792449451 /nfs/dbraw/zinc/44/94/51/792449451.db2.gz KODWMFMNMBTGPZ-HSOILSAZSA-N 1 0 339.396 -2.320 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001100628466 792448901 /nfs/dbraw/zinc/44/89/01/792448901.db2.gz KODWMFMNMBTGPZ-YVNMAJEFSA-N 1 0 339.396 -2.320 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628475 792449650 /nfs/dbraw/zinc/44/96/50/792449650.db2.gz KVJIQEMNJQNVCL-UHFFFAOYSA-N 1 0 327.385 -1.562 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628495 792449298 /nfs/dbraw/zinc/44/92/98/792449298.db2.gz LLAKPSUTAMMJQI-KPPDAEKUSA-N 1 0 341.412 -1.174 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628496 792449571 /nfs/dbraw/zinc/44/95/71/792449571.db2.gz LLAKPSUTAMMJQI-WHXUTIOJSA-N 1 0 341.412 -1.174 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628529 792449800 /nfs/dbraw/zinc/44/98/00/792449800.db2.gz MRFQRXYIAYJGTA-UHFFFAOYSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H]([NH2+]C1CC(CNC(=O)C(N)=O)C1)C(=O)NC(=O)NC1CC1 ZINC001100628538 792449127 /nfs/dbraw/zinc/44/91/27/792449127.db2.gz NGHPIVMDVUSBBH-JEUQWKINSA-N 1 0 325.369 -1.667 20 0 EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)C(N)=O)C1)C(=O)NC(=O)NC1CC1 ZINC001100628539 792449623 /nfs/dbraw/zinc/44/96/23/792449623.db2.gz NGHPIVMDVUSBBH-ZNFPMYQNSA-N 1 0 325.369 -1.667 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001100628542 792448822 /nfs/dbraw/zinc/44/88/22/792448822.db2.gz NIJDGXKJIPOZBP-RTBKNWGFSA-N 1 0 326.353 -2.534 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001100628543 792449203 /nfs/dbraw/zinc/44/92/03/792449203.db2.gz NIJDGXKJIPOZBP-UDNWOFFPSA-N 1 0 326.353 -2.534 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]C2CC(CNC(=O)C(N)=O)C2)C1=O ZINC001100628549 792448843 /nfs/dbraw/zinc/44/88/43/792448843.db2.gz NMPOVXHJYYOQJC-UHFFFAOYSA-N 1 0 325.369 -1.714 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001100628645 792449767 /nfs/dbraw/zinc/44/97/67/792449767.db2.gz REVVYMHZQAWUAO-HTAVTVPLSA-N 1 0 329.397 -1.487 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001100628646 792448851 /nfs/dbraw/zinc/44/88/51/792448851.db2.gz REVVYMHZQAWUAO-MCIGGMRASA-N 1 0 329.397 -1.487 20 0 EAADRO NC(=O)C(=O)NCC1CC([NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001100628680 792448640 /nfs/dbraw/zinc/44/86/40/792448640.db2.gz SUSJBHWZVUGTHD-UHFFFAOYSA-N 1 0 339.396 -2.320 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628691 785220113 /nfs/dbraw/zinc/22/01/13/785220113.db2.gz UAGKSTOIPAIIKK-UNXYVOJBSA-N 1 0 328.413 -1.113 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628692 785220323 /nfs/dbraw/zinc/22/03/23/785220323.db2.gz UAGKSTOIPAIIKK-VOMCLLRMSA-N 1 0 328.413 -1.113 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]C3CC(CNC(=O)C(N)=O)C3)C2=O)cn1 ZINC001100628725 792449557 /nfs/dbraw/zinc/44/95/57/792449557.db2.gz VXEPRQFZJFBPRS-CBINBANVSA-N 1 0 334.380 -1.505 20 0 EAADRO 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CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001100631075 785219139 /nfs/dbraw/zinc/21/91/39/785219139.db2.gz HVHRXTMPXBORQC-UHFFFAOYSA-N 1 0 340.424 -1.111 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001100631102 792448700 /nfs/dbraw/zinc/44/87/00/792448700.db2.gz JBTGHZGNGCMILB-UHFFFAOYSA-N 1 0 346.453 -1.324 20 0 EAADRO COCCCNC(=O)C[NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001100631167 792448919 /nfs/dbraw/zinc/44/89/19/792448919.db2.gz MIEXBNIWKVLPEM-UHFFFAOYSA-N 1 0 340.424 -1.111 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001100631227 792449284 /nfs/dbraw/zinc/44/92/84/792449284.db2.gz OUTKOKMMNRMDTG-UHFFFAOYSA-N 1 0 339.396 -1.418 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001100631260 792448887 /nfs/dbraw/zinc/44/88/87/792448887.db2.gz QVXOQNVJJQNNNB-IDKOKCKLSA-N 1 0 339.396 -1.420 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001100631261 792448606 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NC(=O)C1(C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001100631450 792448712 /nfs/dbraw/zinc/44/87/12/792448712.db2.gz ZZABKOYKLPDTKR-UHFFFAOYSA-N 1 0 337.380 -1.712 20 0 EAADRO NC(=O)C1(C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001100632677 792448748 /nfs/dbraw/zinc/44/87/48/792448748.db2.gz KXMMXPZZXJMRKC-UHFFFAOYSA-N 1 0 336.392 -1.115 20 0 EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1)C(=O)NC(N)=O ZINC001100632885 792449541 /nfs/dbraw/zinc/44/95/41/792449541.db2.gz USDRIQWYOGLMGC-AFPNSQJFSA-N 1 0 325.369 -1.680 20 0 EAADRO C[C@H]([NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1)C(=O)NC(N)=O ZINC001100632886 792448879 /nfs/dbraw/zinc/44/88/79/792448879.db2.gz USDRIQWYOGLMGC-UEJVZZJDSA-N 1 0 325.369 -1.680 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100633854 792449692 /nfs/dbraw/zinc/44/96/92/792449692.db2.gz SEUYMTCYUQNCPN-XIVSLSHWSA-N 1 0 336.396 -1.573 20 0 EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1)C(=O)NC(N)=O ZINC001100638883 792448958 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COC[C@H](OC)C(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100656755 792451200 /nfs/dbraw/zinc/45/12/00/792451200.db2.gz LUJKAZWRSQZXED-RUXDESIVSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@H](OC)C(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001100656777 785229884 /nfs/dbraw/zinc/22/98/84/785229884.db2.gz MGMAHHCZGRGSJO-ILDUYXDCSA-N 1 0 327.385 -1.246 20 0 EAADRO COC[C@@H](OC)C(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001100656778 785229684 /nfs/dbraw/zinc/22/96/84/785229684.db2.gz MGMAHHCZGRGSJO-VQXHTEKXSA-N 1 0 327.385 -1.246 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100659079 792451336 /nfs/dbraw/zinc/45/13/36/792451336.db2.gz FUIVKUVNIDYSIS-UHFFFAOYSA-N 1 0 331.398 -1.463 20 0 EAADRO CNC(=O)C[NH2+]C1CC(CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001100659428 792450944 /nfs/dbraw/zinc/45/09/44/792450944.db2.gz PPMQGAPQIMRJHL-UHFFFAOYSA-N 1 0 344.397 -2.099 20 0 EAADRO COCC[NH2+]C1CC(CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001100659579 792450895 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Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@@]3(C)CCNC3=O)C2)nc1=O ZINC001100668741 792451002 /nfs/dbraw/zinc/45/10/02/792451002.db2.gz GODZDACUOULZNC-HEEBCNDISA-N 1 0 336.396 -1.381 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@]3(C)CCNC3=O)C2)nc1=O ZINC001100668743 792451374 /nfs/dbraw/zinc/45/13/74/792451374.db2.gz GODZDACUOULZNC-HKJQSTPSSA-N 1 0 336.396 -1.381 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001100670029 792451060 /nfs/dbraw/zinc/45/10/60/792451060.db2.gz AXDNNSXFOXPBFX-HORUIINNSA-N 1 0 341.368 -2.301 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC3CC3)C2)O1 ZINC001100670046 792450719 /nfs/dbraw/zinc/45/07/19/792450719.db2.gz BZTZHNZDYTXIDH-XMTWOHMPSA-N 1 0 338.408 -1.218 20 0 EAADRO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001100670128 792451042 /nfs/dbraw/zinc/45/10/42/792451042.db2.gz GOSGTXPMLVMFGC-MMVSWEMESA-N 1 0 326.397 -1.360 20 0 EAADRO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001100670337 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NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001100680928 792453099 /nfs/dbraw/zinc/45/30/99/792453099.db2.gz MKKUCQUQHPAGRW-UHFFFAOYSA-N 1 0 336.352 -1.594 20 0 EAADRO Cn1ncc(CCC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001100682686 792452721 /nfs/dbraw/zinc/45/27/21/792452721.db2.gz WTPPTWRHXWRRHY-UHFFFAOYSA-N 1 0 337.384 -1.573 20 0 EAADRO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001100689658 792452829 /nfs/dbraw/zinc/45/28/29/792452829.db2.gz LYDLCBOCUACRCI-CXQJBGSLSA-N 1 0 335.412 -1.144 20 0 EAADRO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001100689659 792452241 /nfs/dbraw/zinc/45/22/41/792452241.db2.gz LYDLCBOCUACRCI-MOENNCHZSA-N 1 0 335.412 -1.144 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCc2cn[nH]n2)C1 ZINC001100690570 792452673 /nfs/dbraw/zinc/45/26/73/792452673.db2.gz KKBPBARUEFEHBM-UHFFFAOYSA-N 1 0 337.384 -1.323 20 0 EAADRO C[C@@H]([NH2+]C1CC(CNC(=O)CCc2cn[nH]n2)C1)C(=O)NC(N)=O ZINC001100690629 792452325 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CC[C@H](NC(C)=O)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100694000 792452627 /nfs/dbraw/zinc/45/26/27/792452627.db2.gz HMBXKVYNECEYOT-ILDUYXDCSA-N 1 0 327.385 -1.420 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100694001 792453128 /nfs/dbraw/zinc/45/31/28/792453128.db2.gz HMBXKVYNECEYOT-VQXHTEKXSA-N 1 0 327.385 -1.420 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100695627 792452932 /nfs/dbraw/zinc/45/29/32/792452932.db2.gz WLMKUFXZQDGKBK-BPCQOVAHSA-N 1 0 348.469 -1.065 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100695628 792453003 /nfs/dbraw/zinc/45/30/03/792453003.db2.gz WLMKUFXZQDGKBK-WXRRBKDZSA-N 1 0 348.469 -1.065 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001100705362 792452299 /nfs/dbraw/zinc/45/22/99/792452299.db2.gz AROJPSFXINMDSD-UNXYVOJBSA-N 1 0 348.469 -1.113 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001100705363 792452194 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EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001100705451 792452376 /nfs/dbraw/zinc/45/23/76/792452376.db2.gz FPERHKCEWPMBIV-WHXUTIOJSA-N 1 0 344.441 -1.263 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]Cc2nncn2C)C1 ZINC001100705477 792452513 /nfs/dbraw/zinc/45/25/13/792452513.db2.gz HDDFAKXYVKHYMU-KPPDAEKUSA-N 1 0 344.441 -1.263 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]Cc2nncn2C)C1 ZINC001100705478 792452419 /nfs/dbraw/zinc/45/24/19/792452419.db2.gz HDDFAKXYVKHYMU-WHXUTIOJSA-N 1 0 344.441 -1.263 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]Cc2cnn(C)n2)C1 ZINC001100705500 792452851 /nfs/dbraw/zinc/45/28/51/792452851.db2.gz IIZYPSGGBMGTQE-KPPDAEKUSA-N 1 0 344.441 -1.263 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]Cc2cnn(C)n2)C1 ZINC001100705501 785249751 /nfs/dbraw/zinc/24/97/51/785249751.db2.gz IIZYPSGGBMGTQE-WHXUTIOJSA-N 1 0 344.441 -1.263 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100705539 792452604 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CCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001100705690 792452353 /nfs/dbraw/zinc/45/23/53/792452353.db2.gz PUXNTJVFKMCNNE-UNXYVOJBSA-N 1 0 348.469 -1.065 20 0 EAADRO CCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001100705691 792453281 /nfs/dbraw/zinc/45/32/81/792453281.db2.gz PUXNTJVFKMCNNE-VOMCLLRMSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100705778 792452262 /nfs/dbraw/zinc/45/22/62/792452262.db2.gz UTJACPPIRGUENW-UNXYVOJBSA-N 1 0 337.442 -1.583 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100705779 792452081 /nfs/dbraw/zinc/45/20/81/792452081.db2.gz UTJACPPIRGUENW-VOMCLLRMSA-N 1 0 337.442 -1.583 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]Cc2cn(C)nn2)C1 ZINC001100705805 792453070 /nfs/dbraw/zinc/45/30/70/792453070.db2.gz WIWVVWDHRANELN-KPPDAEKUSA-N 1 0 344.441 -1.263 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC([NH2+]Cc2cn(C)nn2)C1 ZINC001100705806 792453011 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CFZNYVZEIPCTRJ-NUPCCRGMSA-N 1 0 339.352 -1.930 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101219853 792483499 /nfs/dbraw/zinc/48/34/99/792483499.db2.gz DDYAOHDTJUIPAY-OTYXRUKQSA-N 1 0 335.368 -1.596 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cnnn3C)C[C@]2(C)C1 ZINC001101220004 792484411 /nfs/dbraw/zinc/48/44/11/792484411.db2.gz MVQFTJGYEVBAJI-FCHSOHFDSA-N 1 0 349.395 -1.208 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cnnn3C)C[C@]2(C)C1 ZINC001101220005 792483178 /nfs/dbraw/zinc/48/31/78/792483178.db2.gz MVQFTJGYEVBAJI-WMFXKJRFSA-N 1 0 349.395 -1.208 20 0 EAADRO C[C@]12CN(C(=O)[C@H]3COC(=O)N3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101220143 792484698 /nfs/dbraw/zinc/48/46/98/792484698.db2.gz SPSUILDVZZIVDQ-JMSVASOKSA-N 1 0 327.381 -1.116 20 0 EAADRO C[C@]12CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101220144 785455911 /nfs/dbraw/zinc/45/59/11/785455911.db2.gz SPSUILDVZZIVDQ-XUJVJEKNSA-N 1 0 327.381 -1.116 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101221229 792483234 /nfs/dbraw/zinc/48/32/34/792483234.db2.gz KSOABSZIYFDMSP-HCKVZZMMSA-N 1 0 326.397 -1.022 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@]2(C)C1 ZINC001101222580 792484538 /nfs/dbraw/zinc/48/45/38/792484538.db2.gz IUIZZKDNLYKUPQ-FCHSOHFDSA-N 1 0 349.395 -1.208 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@]2(C)C1 ZINC001101222581 792483311 /nfs/dbraw/zinc/48/33/11/792483311.db2.gz IUIZZKDNLYKUPQ-WMFXKJRFSA-N 1 0 349.395 -1.208 20 0 EAADRO CCn1nncc1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101223713 792484481 /nfs/dbraw/zinc/48/44/81/792484481.db2.gz FTVGCLCDOXAIGK-BMIGLBTASA-N 1 0 349.395 -1.113 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCNC(=O)NC)C[C@]2(C)C1 ZINC001101224343 792483569 /nfs/dbraw/zinc/48/35/69/792483569.db2.gz RJELIWOGCJIRLC-ABAIWWIYSA-N 1 0 325.413 -1.168 20 0 EAADRO 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CNC(=O)NCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101227159 792483207 /nfs/dbraw/zinc/48/32/07/792483207.db2.gz WOWIACHXDAMPIF-RWSFTLGLSA-N 1 0 325.413 -1.040 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)[nH]1 ZINC001101228027 792487086 /nfs/dbraw/zinc/48/70/86/792487086.db2.gz LTUALUAVLQOVRA-BMIGLBTASA-N 1 0 349.395 -1.369 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)n1 ZINC001101229409 792486190 /nfs/dbraw/zinc/48/61/90/792486190.db2.gz YECKEISDLVXFHC-BZNIZROVSA-N 1 0 348.407 -1.062 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)NC(N)=O)C[C@]2(C)C1 ZINC001101236304 792486289 /nfs/dbraw/zinc/48/62/89/792486289.db2.gz QXPVDYONTVKNPB-HFAKWTLXSA-N 1 0 325.413 -1.040 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)NC(N)=O)C[C@]2(C)C1 ZINC001101236305 792486625 /nfs/dbraw/zinc/48/66/25/792486625.db2.gz QXPVDYONTVKNPB-RWSFTLGLSA-N 1 0 325.413 -1.040 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101237106 792485988 /nfs/dbraw/zinc/48/59/88/792485988.db2.gz BIPOWWDRGQVNBA-RISCZKNCSA-N 1 0 346.453 -1.548 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101237248 792486034 /nfs/dbraw/zinc/48/60/34/792486034.db2.gz IWOLWMNYWFSLNN-MFKMUULPSA-N 1 0 332.426 -1.809 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101237360 792486528 /nfs/dbraw/zinc/48/65/28/792486528.db2.gz PHFXQZRFDMSSJN-GYSYKLTISA-N 1 0 346.453 -1.420 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101237361 792485833 /nfs/dbraw/zinc/48/58/33/792485833.db2.gz PHFXQZRFDMSSJN-WDMOLILDSA-N 1 0 346.453 -1.420 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001101237477 792485894 /nfs/dbraw/zinc/48/58/94/792485894.db2.gz VASDLQJXWQHQAG-OCCSQVGLSA-N 1 0 348.469 -1.503 20 0 EAADRO CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001101240502 792485585 /nfs/dbraw/zinc/48/55/85/792485585.db2.gz AJKHQKFFJYDAPY-DOMZBBRYSA-N 1 0 335.412 -1.020 20 0 EAADRO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001101240687 792486888 /nfs/dbraw/zinc/48/68/88/792486888.db2.gz FGBOATSRVCYZGZ-DOMZBBRYSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@]12CN(C(=O)Cn3ncnn3)C[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001101240690 792486214 /nfs/dbraw/zinc/48/62/14/792486214.db2.gz FGTVOQMMKTYEFO-CJNGLKHVSA-N 1 0 347.423 -1.020 20 0 EAADRO C[C@]12CN(C(=O)Cn3ncnn3)C[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001101241065 792486478 /nfs/dbraw/zinc/48/64/78/792486478.db2.gz OWIAVECBWVFJJE-CJNGLKHVSA-N 1 0 347.423 -1.020 20 0 EAADRO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001101241167 792486747 /nfs/dbraw/zinc/48/67/47/792486747.db2.gz UDIWSOKOIQJCSY-DOMZBBRYSA-N 1 0 335.412 -1.068 20 0 EAADRO C[C@]12CN(C(=O)Cn3ncnn3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101241204 792486138 /nfs/dbraw/zinc/48/61/38/792486138.db2.gz 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C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 ZINC001101250744 792486019 /nfs/dbraw/zinc/48/60/19/792486019.db2.gz KRXQWUQBQHNWRJ-HFAKWTLXSA-N 1 0 349.395 -1.358 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 ZINC001101250745 792487132 /nfs/dbraw/zinc/48/71/32/792487132.db2.gz KRXQWUQBQHNWRJ-RWSFTLGLSA-N 1 0 349.395 -1.358 20 0 EAADRO C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101250781 792486197 /nfs/dbraw/zinc/48/61/97/792486197.db2.gz MBZCJYOJGXXNAT-YGRLFVJLSA-N 1 0 335.368 -1.747 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@]2(C)C1 ZINC001101256064 785565103 /nfs/dbraw/zinc/56/51/03/785565103.db2.gz CCQDJXAHBANNPA-RISCZKNCSA-N 1 0 346.453 -1.596 20 0 EAADRO COCC(=O)N(C)CC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101256118 792486248 /nfs/dbraw/zinc/48/62/48/792486248.db2.gz GOWBGQNZJBYDMG-ABAIWWIYSA-N 1 0 326.397 -1.643 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@]2(C)C1 ZINC001101256174 792486790 /nfs/dbraw/zinc/48/67/90/792486790.db2.gz IXCWGIGPDFHVBA-WBMJQRKESA-N 1 0 340.424 -1.383 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 ZINC001101256224 792486827 /nfs/dbraw/zinc/48/68/27/792486827.db2.gz LGJLTUDLVZZYSE-RISCZKNCSA-N 1 0 346.453 -1.548 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 ZINC001101256225 785564578 /nfs/dbraw/zinc/56/45/78/785564578.db2.gz LIFVUWKVDBWXPR-GYSYKLTISA-N 1 0 346.453 -1.420 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 ZINC001101256226 785565170 /nfs/dbraw/zinc/56/51/70/785565170.db2.gz LIFVUWKVDBWXPR-WDMOLILDSA-N 1 0 346.453 -1.420 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101256246 792485969 /nfs/dbraw/zinc/48/59/69/792485969.db2.gz MDRBIYKEECBJRH-GYSYKLTISA-N 1 0 346.453 -1.420 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101256247 792486123 /nfs/dbraw/zinc/48/61/23/792486123.db2.gz MDRBIYKEECBJRH-WDMOLILDSA-N 1 0 346.453 -1.420 20 0 EAADRO COCC(=O)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101256309 792486174 /nfs/dbraw/zinc/48/61/74/792486174.db2.gz PJCFDLJGGVLDSW-HSMVNMDESA-N 1 0 340.424 -1.255 20 0 EAADRO COCC(=O)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101256310 792485803 /nfs/dbraw/zinc/48/58/03/792485803.db2.gz PJCFDLJGGVLDSW-OZVIIMIRSA-N 1 0 340.424 -1.255 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC)C[C@@]2(C)C1 ZINC001101256398 792486185 /nfs/dbraw/zinc/48/61/85/792486185.db2.gz VFMRNTXJTRBTDA-RISCZKNCSA-N 1 0 346.453 -1.548 20 0 EAADRO C[C@]12CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001101256399 792486369 /nfs/dbraw/zinc/48/63/69/792486369.db2.gz VINOLECONPMSDG-MFKMUULPSA-N 1 0 332.426 -1.809 20 0 EAADRO CN(CC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256984 792487015 /nfs/dbraw/zinc/48/70/15/792487015.db2.gz BCLKXMVVKCLRHL-MFKMUULPSA-N 1 0 332.426 -1.857 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101257025 792485909 /nfs/dbraw/zinc/48/59/09/792485909.db2.gz DGHXNLFSCXZPDQ-MFKMUULPSA-N 1 0 332.426 -1.809 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@]2(C)C1 ZINC001101257191 785568470 /nfs/dbraw/zinc/56/84/70/785568470.db2.gz JYRGVVPBWXZZQM-GYSYKLTISA-N 1 0 346.453 -1.468 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@]2(C)C1 ZINC001101257192 785568076 /nfs/dbraw/zinc/56/80/76/785568076.db2.gz JYRGVVPBWXZZQM-WDMOLILDSA-N 1 0 346.453 -1.468 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101257768 792487234 /nfs/dbraw/zinc/48/72/34/792487234.db2.gz KYOQNIFKPOWVCP-HSMVNMDESA-N 1 0 340.424 -1.207 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101257769 792486982 /nfs/dbraw/zinc/48/69/82/792486982.db2.gz KYOQNIFKPOWVCP-OZVIIMIRSA-N 1 0 340.424 -1.207 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101257794 792487214 /nfs/dbraw/zinc/48/72/14/792487214.db2.gz MEQCMDUXYMMZSD-ABAIWWIYSA-N 1 0 326.397 -1.595 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCNC(=O)COC)C[C@]2(C)C1 ZINC001101257905 792487330 /nfs/dbraw/zinc/48/73/30/792487330.db2.gz SDOZTMLBSMVCNH-WBMJQRKESA-N 1 0 340.424 -1.335 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101258796 792485459 /nfs/dbraw/zinc/48/54/59/792485459.db2.gz LEXBJYHQSUUNNE-OTYXRUKQSA-N 1 0 340.384 -2.109 20 0 EAADRO CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@]2(C)C1 ZINC001101258824 792486131 /nfs/dbraw/zinc/48/61/31/792486131.db2.gz MWWPFPBHDFHUBY-ABAIWWIYSA-N 1 0 325.413 -1.168 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101258847 792486067 /nfs/dbraw/zinc/48/60/67/792486067.db2.gz OCYQTKKGAGINFN-ABAIWWIYSA-N 1 0 325.413 -1.216 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101258926 792487361 /nfs/dbraw/zinc/48/73/61/792487361.db2.gz TUSUVEAQYCYBNP-BZNIZROVSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101258928 792487154 /nfs/dbraw/zinc/48/71/54/792487154.db2.gz TVDYJJPOKOQUPB-WBMJQRKESA-N 1 0 337.424 -1.072 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2CN(CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101258972 785571364 /nfs/dbraw/zinc/57/13/64/785571364.db2.gz WAUAQSFCKSLVSX-RISCZKNCSA-N 1 0 346.453 -1.260 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@]2(C)C1 ZINC001101259585 792486107 /nfs/dbraw/zinc/48/61/07/792486107.db2.gz AGTWQSUYMLYTRL-HFAKWTLXSA-N 1 0 325.413 -1.040 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@]2(C)C1 ZINC001101259586 792486408 /nfs/dbraw/zinc/48/64/08/792486408.db2.gz AGTWQSUYMLYTRL-ZETOZRRWSA-N 1 0 325.413 -1.040 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101259772 792486007 /nfs/dbraw/zinc/48/60/07/792486007.db2.gz KJLDUAAZCLFDAA-HSMVNMDESA-N 1 0 337.424 -1.074 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101259773 792487115 /nfs/dbraw/zinc/48/71/15/792487115.db2.gz KJLDUAAZCLFDAA-WQGACYEGSA-N 1 0 337.424 -1.074 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101259805 792487199 /nfs/dbraw/zinc/48/71/99/792487199.db2.gz LHTLMJLCCRWVGF-DOMZBBRYSA-N 1 0 335.412 -1.013 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@]2(C)C1 ZINC001101259838 792486859 /nfs/dbraw/zinc/48/68/59/792486859.db2.gz MYGDVXPOAJPNGX-HFAKWTLXSA-N 1 0 325.413 -1.170 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@]2(C)C1 ZINC001101259839 792486179 /nfs/dbraw/zinc/48/61/79/792486179.db2.gz MYGDVXPOAJPNGX-RWSFTLGLSA-N 1 0 325.413 -1.170 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101259859 792486349 /nfs/dbraw/zinc/48/63/49/792486349.db2.gz ORLFMPMPUQCPQY-DOMZBBRYSA-N 1 0 328.413 -1.295 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)COC)C[C@@]2(C)C1 ZINC001101259940 792486270 /nfs/dbraw/zinc/48/62/70/792486270.db2.gz TYXZQJVKTCLULS-JMSVASOKSA-N 1 0 328.413 -1.297 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+](C[C@H](O)COC)C[C@@]2(C)C1 ZINC001101259941 785571238 /nfs/dbraw/zinc/57/12/38/785571238.db2.gz TYXZQJVKTCLULS-XUJVJEKNSA-N 1 0 328.413 -1.297 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101260059 792486394 /nfs/dbraw/zinc/48/63/94/792486394.db2.gz ZVUJAGAVGKXVPQ-HSMVNMDESA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101260060 792485745 /nfs/dbraw/zinc/48/57/45/792485745.db2.gz ZVUJAGAVGKXVPQ-WQGACYEGSA-N 1 0 337.424 -1.026 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101272244 792486683 /nfs/dbraw/zinc/48/66/83/792486683.db2.gz BVKFMTFDGIHFMY-PSLIRLAXSA-N 1 0 339.396 -1.527 20 0 EAADRO C[C@]12CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101273301 792485940 /nfs/dbraw/zinc/48/59/40/792485940.db2.gz BYOGRHBNNMNAJE-BMIGLBTASA-N 1 0 348.363 -1.229 20 0 EAADRO C[C@]12CN(C(=O)c3cnc[nH]c3=O)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101275616 792485863 /nfs/dbraw/zinc/48/58/63/792485863.db2.gz LODBJKYATCWXKD-PSLIRLAXSA-N 1 0 348.363 -1.229 20 0 EAADRO COCC[N@@H+]1C[C@@H]2CN(C(=O)CNC(=O)CNC(C)=O)C[C@]2(C)C1 ZINC001101280848 792489111 /nfs/dbraw/zinc/48/91/11/792489111.db2.gz BQIHAHXAATUIKF-CJNGLKHVSA-N 1 0 340.424 -1.335 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001101280901 792487688 /nfs/dbraw/zinc/48/76/88/792487688.db2.gz CRFSEDVSGFTUFZ-CJNGLKHVSA-N 1 0 340.424 -1.599 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001101281075 792487991 /nfs/dbraw/zinc/48/79/91/792487991.db2.gz GVWWVZVAESEAMV-DOMZBBRYSA-N 1 0 326.397 -1.989 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@@H+](C[C@H](C)O)C[C@@]2(C)C1 ZINC001101282807 792489394 /nfs/dbraw/zinc/48/93/94/792489394.db2.gz FVNWQINJJWYKRA-GHJWDPDVSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@]2(C)C1 ZINC001101282808 792488790 /nfs/dbraw/zinc/48/87/90/792488790.db2.gz FVNWQINJJWYKRA-KFNAQCHYSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101282887 792488763 /nfs/dbraw/zinc/48/87/63/792488763.db2.gz KDAQMXIVXCLPRL-ABAIWWIYSA-N 1 0 339.396 -2.496 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@H+](CCF)C[C@@]2(C)C1 ZINC001101283095 792488969 /nfs/dbraw/zinc/48/89/69/792488969.db2.gz RQTQGARPACRTTC-DOMZBBRYSA-N 1 0 328.388 -1.012 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@]2(C)C1 ZINC001101288453 785614145 /nfs/dbraw/zinc/61/41/45/785614145.db2.gz SKONHPPBVWMRFC-OTYXRUKQSA-N 1 0 332.351 -1.106 20 0 EAADRO C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001101289257 792488895 /nfs/dbraw/zinc/48/88/95/792488895.db2.gz DXKDUIZWVKSZQK-MFKMUULPSA-N 1 0 342.425 -1.252 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@]2(C)C1 ZINC001101289621 792489552 /nfs/dbraw/zinc/48/95/52/792489552.db2.gz YUUCSAVPIQDZPM-NUPCCRGMSA-N 1 0 335.368 -1.218 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@]2(C)C1 ZINC001101289622 792488392 /nfs/dbraw/zinc/48/83/92/792488392.db2.gz YUUCSAVPIQDZPM-QIBSRJKCSA-N 1 0 335.368 -1.218 20 0 EAADRO CCC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)S(N)(=O)=O ZINC001101312938 792488915 /nfs/dbraw/zinc/48/89/15/792488915.db2.gz UGHDJHFJNCQNEL-GYSYKLTISA-N 1 0 346.453 -1.291 20 0 EAADRO CCC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)S(N)(=O)=O ZINC001101312939 792489085 /nfs/dbraw/zinc/48/90/85/792489085.db2.gz UGHDJHFJNCQNEL-SUNKGSAMSA-N 1 0 346.453 -1.291 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001101313676 792488206 /nfs/dbraw/zinc/48/82/06/792488206.db2.gz JJOZBDWRPNDSKH-YPMHNXCESA-N 1 0 334.442 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792489101 /nfs/dbraw/zinc/48/91/01/792489101.db2.gz WISHZVWGZPGHSO-WZRBSPASSA-N 1 0 334.442 -1.799 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)COC)C[C@@]2(C)C1 ZINC001101314222 792487928 /nfs/dbraw/zinc/48/79/28/792487928.db2.gz WJQWWVCTZQQBGL-BZPMIXESSA-N 1 0 348.469 -1.145 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)COC)C[C@@]2(C)C1 ZINC001101314223 792488948 /nfs/dbraw/zinc/48/89/48/792488948.db2.gz WJQWWVCTZQQBGL-SCRDCRAPSA-N 1 0 348.469 -1.145 20 0 EAADRO C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101320157 792488989 /nfs/dbraw/zinc/48/89/89/792488989.db2.gz HXEBMAAZKITAGF-FCHSOHFDSA-N 1 0 337.380 -1.902 20 0 EAADRO C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101320158 792488555 /nfs/dbraw/zinc/48/85/55/792488555.db2.gz HXEBMAAZKITAGF-FTGAXOIBSA-N 1 0 337.380 -1.902 20 0 EAADRO C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101320720 792489140 /nfs/dbraw/zinc/48/91/40/792489140.db2.gz 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332.426 -1.892 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102582419 792550311 /nfs/dbraw/zinc/55/03/11/792550311.db2.gz JPQLRFPCJNOQFI-IJLUTSLNSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102582420 792550838 /nfs/dbraw/zinc/55/08/38/792550838.db2.gz JPQLRFPCJNOQFI-UTUOFQBUSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102582574 792551899 /nfs/dbraw/zinc/55/18/99/792551899.db2.gz OIORZMNNSAVSMV-IJLUTSLNSA-N 1 0 337.442 -1.773 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C ZINC001102582575 792550732 /nfs/dbraw/zinc/55/07/32/792550732.db2.gz OIORZMNNSAVSMV-UTUOFQBUSA-N 1 0 337.442 -1.773 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001102582700 792552030 /nfs/dbraw/zinc/55/20/30/792552030.db2.gz SHWCXQBUTJLAIQ-VXGBXAGGSA-N 1 0 348.469 -1.256 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102582713 792551717 /nfs/dbraw/zinc/55/17/17/792551717.db2.gz STFANJAIAPFDDV-GHMZBOCLSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102582800 792550820 /nfs/dbraw/zinc/55/08/20/792550820.db2.gz WNABEKMHWANZOK-RKDXNWHRSA-N 1 0 349.413 -2.585 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001102582817 792552217 /nfs/dbraw/zinc/55/22/17/792552217.db2.gz WZVKSSIWKFQAOS-GHMZBOCLSA-N 1 0 344.441 -1.452 20 0 EAADRO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CS(=O)(=O)NC)[C@H](C)C1 ZINC001102583185 792551197 /nfs/dbraw/zinc/55/11/97/792551197.db2.gz ANLZMHSWVSDDFT-GMTAPVOTSA-N 1 0 334.442 -1.516 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CS(=O)(=O)NC)[C@H](C)C1 ZINC001102583186 792551446 /nfs/dbraw/zinc/55/14/46/792551446.db2.gz ANLZMHSWVSDDFT-MXWKQRLJSA-N 1 0 334.442 -1.516 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1C 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CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104187610 792577600 /nfs/dbraw/zinc/57/76/00/792577600.db2.gz ZIRQDUMDMJCSHR-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104197504 792577653 /nfs/dbraw/zinc/57/76/53/792577653.db2.gz ICPUXZJLPUHVRY-GHMZBOCLSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104197801 792577704 /nfs/dbraw/zinc/57/77/04/792577704.db2.gz YJBOVNVWLBJLNB-CHWSQXEVSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104198851 792576546 /nfs/dbraw/zinc/57/65/46/792576546.db2.gz BBYZPGLREZCGFA-GHMZBOCLSA-N 1 0 349.399 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104198946 792577523 /nfs/dbraw/zinc/57/75/23/792577523.db2.gz GGIGHPUTOJGXIN-NXEZZACHSA-N 1 0 338.372 -2.058 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001104199019 792577725 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-1.168 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104213617 792576521 /nfs/dbraw/zinc/57/65/21/792576521.db2.gz HKLFCCBKSDNWEG-NXEZZACHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CC[NH2+]CCCO ZINC001104213927 792577803 /nfs/dbraw/zinc/57/78/03/792577803.db2.gz YMZULNVFKHAKIO-VXGBXAGGSA-N 1 0 338.412 -1.166 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104223353 785071842 /nfs/dbraw/zinc/07/18/42/785071842.db2.gz YQJBAQYRNGDOQO-GRYCIOLGSA-N 1 0 348.469 -1.126 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104223354 785071589 /nfs/dbraw/zinc/07/15/89/785071589.db2.gz YQJBAQYRNGDOQO-IJLUTSLNSA-N 1 0 348.469 -1.126 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104227460 785084696 /nfs/dbraw/zinc/08/46/96/785084696.db2.gz XWCSXIHTZIJJRY-GRYCIOLGSA-N 1 0 328.413 -1.303 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104227461 785084801 /nfs/dbraw/zinc/08/48/01/785084801.db2.gz XWCSXIHTZIJJRY-IJLUTSLNSA-N 1 0 328.413 -1.303 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C ZINC001104227512 785084661 /nfs/dbraw/zinc/08/46/61/785084661.db2.gz ZLYFXALTPKZOSG-FRRDWIJNSA-N 1 0 342.440 -1.042 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C ZINC001104227513 785084643 /nfs/dbraw/zinc/08/46/43/785084643.db2.gz ZLYFXALTPKZOSG-JHJVBQTASA-N 1 0 342.440 -1.042 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001104233093 785100842 /nfs/dbraw/zinc/10/08/42/785100842.db2.gz DCDXRSHHARVXQK-GHMZBOCLSA-N 1 0 331.438 -1.149 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(N)=O ZINC001104233365 785100765 /nfs/dbraw/zinc/10/07/65/785100765.db2.gz QHFFEODWNADVAJ-GMTAPVOTSA-N 1 0 331.438 -1.021 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(N)=O 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DVMHFBXPAFMLRR-GRYCIOLGSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001104257821 785112116 /nfs/dbraw/zinc/11/21/16/785112116.db2.gz DVMHFBXPAFMLRR-IJLUTSLNSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001104257843 785112524 /nfs/dbraw/zinc/11/25/24/785112524.db2.gz GIKMKAJVJZLWDQ-GRYCIOLGSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001104257844 785113031 /nfs/dbraw/zinc/11/30/31/785113031.db2.gz GIKMKAJVJZLWDQ-IJLUTSLNSA-N 1 0 348.469 -1.126 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001104257906 785112480 /nfs/dbraw/zinc/11/24/80/785112480.db2.gz IQNKGDHGMNNNCA-GRYCIOLGSA-N 1 0 348.469 -1.126 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001104257907 785112917 /nfs/dbraw/zinc/11/29/17/785112917.db2.gz IQNKGDHGMNNNCA-IJLUTSLNSA-N 1 0 348.469 -1.126 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104258008 785112842 /nfs/dbraw/zinc/11/28/42/785112842.db2.gz NWASJWPDIHHSIN-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C ZINC001104258010 785112342 /nfs/dbraw/zinc/11/23/42/785112342.db2.gz OBQAZTVTDFBMDK-CHWSQXEVSA-N 1 0 342.440 -1.089 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104258071 785112188 /nfs/dbraw/zinc/11/21/88/785112188.db2.gz RNIHUPTYPBXWRR-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104258171 785112608 /nfs/dbraw/zinc/11/26/08/785112608.db2.gz XIJUTZJCKUTCAB-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104258191 785112851 /nfs/dbraw/zinc/11/28/51/785112851.db2.gz YCBTUVZYBMIOHO-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO COCC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104259628 785112497 /nfs/dbraw/zinc/11/24/97/785112497.db2.gz XOILHAHYAXNXSM-VXGBXAGGSA-N 1 0 328.413 -1.349 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104262862 785112827 /nfs/dbraw/zinc/11/28/27/785112827.db2.gz QQFUAGJRRSRKLI-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C ZINC001104262866 785112460 /nfs/dbraw/zinc/11/24/60/785112460.db2.gz QSFYVLPEVRPKMB-CHWSQXEVSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104264402 785112373 /nfs/dbraw/zinc/11/23/73/785112373.db2.gz KWBYRRFTVAMDMX-GHMZBOCLSA-N 1 0 338.416 -1.287 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1 ZINC001104264794 785112970 /nfs/dbraw/zinc/11/29/70/785112970.db2.gz FIDRMLNABQYRFU-JHJVBQTASA-N 1 0 330.429 -1.003 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1 ZINC001104264795 785112580 /nfs/dbraw/zinc/11/25/80/785112580.db2.gz FIDRMLNABQYRFU-UPJWGTAASA-N 1 0 330.429 -1.003 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001104264816 785112963 /nfs/dbraw/zinc/11/29/63/785112963.db2.gz GNLANZNCJGALIM-IJLUTSLNSA-N 1 0 325.413 -1.122 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001104264817 785112265 /nfs/dbraw/zinc/11/22/65/785112265.db2.gz GNLANZNCJGALIM-UTUOFQBUSA-N 1 0 325.413 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1CC[NH2+]CCO ZINC001104264924 785112682 /nfs/dbraw/zinc/11/26/82/785112682.db2.gz KRVPCJXLNHJKSU-CHWSQXEVSA-N 1 0 338.408 -1.387 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104264978 785114022 /nfs/dbraw/zinc/11/40/22/785114022.db2.gz NLUWUCITJWOICG-NXEZZACHSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104265318 785113753 /nfs/dbraw/zinc/11/37/53/785113753.db2.gz XUPGKOWPRDKSNZ-CHWSQXEVSA-N 1 0 330.429 -1.002 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104266589 785113553 /nfs/dbraw/zinc/11/35/53/785113553.db2.gz OPUDQDPKJBUYMT-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001104295527 785127440 /nfs/dbraw/zinc/12/74/40/785127440.db2.gz ABFBEXLXEIECLV-CHWSQXEVSA-N 1 0 340.424 -1.335 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104295965 785128336 /nfs/dbraw/zinc/12/83/36/785128336.db2.gz ZEQDOWOHGHWBLN-VXGBXAGGSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C)C(N)=O ZINC001104297478 785130044 /nfs/dbraw/zinc/13/00/44/785130044.db2.gz SXRQWKORBJPTHJ-FRRDWIJNSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C)C(N)=O ZINC001104297479 785129668 /nfs/dbraw/zinc/12/96/68/785129668.db2.gz SXRQWKORBJPTHJ-JHJVBQTASA-N 1 0 340.424 -1.207 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001104304482 785133746 /nfs/dbraw/zinc/13/37/46/785133746.db2.gz MILSNOSNSMWYPG-MXWKQRLJSA-N 1 0 339.396 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104304605 785134255 /nfs/dbraw/zinc/13/42/55/785134255.db2.gz SCKQFGRCKXQIOU-BBBLOLIVSA-N 1 0 325.369 -1.856 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104317635 785140771 /nfs/dbraw/zinc/14/07/71/785140771.db2.gz DQBVLMRCKOPCIZ-NXEZZACHSA-N 1 0 341.412 -1.233 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(c2ccc3nnnn3n2)CCO1 ZINC001104318750 785141316 /nfs/dbraw/zinc/14/13/16/785141316.db2.gz RTUNSVXYGPVVLD-GFCCVEGCSA-N 1 0 346.395 -1.064 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(c2ccc3nnnn3n2)CCO1 ZINC001104318751 785141365 /nfs/dbraw/zinc/14/13/65/785141365.db2.gz RTUNSVXYGPVVLD-LBPRGKRZSA-N 1 0 346.395 -1.064 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(c2nccn3nnnc23)CCO1 ZINC001104318860 785141539 /nfs/dbraw/zinc/14/15/39/785141539.db2.gz VDRGIBZUUZTHMJ-GFCCVEGCSA-N 1 0 346.395 -1.064 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(c2nccn3nnnc23)CCO1 ZINC001104318861 785140955 /nfs/dbraw/zinc/14/09/55/785140955.db2.gz VDRGIBZUUZTHMJ-LBPRGKRZSA-N 1 0 346.395 -1.064 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)CCO1 ZINC001104346825 785150334 /nfs/dbraw/zinc/15/03/34/785150334.db2.gz REHFDFHXMKZVCL-LLVKDONJSA-N 1 0 334.384 -1.208 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)CCO1 ZINC001104346826 785149898 /nfs/dbraw/zinc/14/98/98/785149898.db2.gz REHFDFHXMKZVCL-NSHDSACASA-N 1 0 334.384 -1.208 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)CCO1 ZINC001104346861 785150202 /nfs/dbraw/zinc/15/02/02/785150202.db2.gz SAZGCZZFPDOVSV-LLVKDONJSA-N 1 0 334.384 -1.208 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(c2nccn3nnnc23)CCO1 ZINC001104346862 785150269 /nfs/dbraw/zinc/15/02/69/785150269.db2.gz SAZGCZZFPDOVSV-NSHDSACASA-N 1 0 334.384 -1.208 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104356384 785155711 /nfs/dbraw/zinc/15/57/11/785155711.db2.gz CULKHXUXJSVKNL-VXGBXAGGSA-N 1 0 349.453 -1.393 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001104360463 785157992 /nfs/dbraw/zinc/15/79/92/785157992.db2.gz JRJWNIHOQYEQRM-DGCLKSJQSA-N 1 0 328.413 -1.695 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104360510 785157960 /nfs/dbraw/zinc/15/79/60/785157960.db2.gz LUWJUNXCWREIHU-TZMCWYRMSA-N 1 0 342.440 -1.305 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)O)C1 ZINC001104360620 785157885 /nfs/dbraw/zinc/15/78/85/785157885.db2.gz RAKJGGPVRYODCT-MBNYWOFBSA-N 1 0 342.440 -1.306 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)O)C1 ZINC001104360621 785157813 /nfs/dbraw/zinc/15/78/13/785157813.db2.gz RAKJGGPVRYODCT-YRGRVCCFSA-N 1 0 342.440 -1.306 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104360636 785157948 /nfs/dbraw/zinc/15/79/48/785157948.db2.gz RQERIRHCSURCRW-ZYHUDNBSSA-N 1 0 341.412 -2.202 20 0 EAADRO COCC[NH2+]CC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001104360827 785157846 /nfs/dbraw/zinc/15/78/46/785157846.db2.gz XEZBZIIREGXRHU-TZMCWYRMSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001104367093 785161521 /nfs/dbraw/zinc/16/15/21/785161521.db2.gz HFNJLLRQNSMWNR-VXGBXAGGSA-N 1 0 338.412 -1.598 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C)C(N)=O ZINC001104368248 785161566 /nfs/dbraw/zinc/16/15/66/785161566.db2.gz GXMKBDQBNHCUAI-GRYCIOLGSA-N 1 0 338.412 -1.470 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C)C(N)=O ZINC001104368249 785161387 /nfs/dbraw/zinc/16/13/87/785161387.db2.gz GXMKBDQBNHCUAI-IJLUTSLNSA-N 1 0 338.412 -1.470 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104368495 785160782 /nfs/dbraw/zinc/16/07/82/785160782.db2.gz UNOSJICEABBVDZ-CHWSQXEVSA-N 1 0 339.440 -1.680 20 0 EAADRO C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104368540 785161568 /nfs/dbraw/zinc/16/15/68/785161568.db2.gz XFZKJLOLFFPOIU-ZYHUDNBSSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CC[NH2+]CCO ZINC001104368831 785160890 /nfs/dbraw/zinc/16/08/90/785160890.db2.gz MMFUMLUFDAZAQE-ZIAGYGMSSA-N 1 0 326.441 -1.173 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001104379816 785165791 /nfs/dbraw/zinc/16/57/91/785165791.db2.gz NIBWNXZSYKXQQN-NXEZZACHSA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104383917 785169183 /nfs/dbraw/zinc/16/91/83/785169183.db2.gz JPWHLZMDJNHWLS-VXGBXAGGSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104393925 785180065 /nfs/dbraw/zinc/18/00/65/785180065.db2.gz FVUCTNXPDVXFKW-GHMZBOCLSA-N 1 0 337.380 -1.492 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104397188 785184755 /nfs/dbraw/zinc/18/47/55/785184755.db2.gz BIYMZBAUCQYQDD-IJLUTSLNSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104397189 785184577 /nfs/dbraw/zinc/18/45/77/785184577.db2.gz BIYMZBAUCQYQDD-UTUOFQBUSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1CC[NH2+]CCO ZINC001104440388 785207649 /nfs/dbraw/zinc/20/76/49/785207649.db2.gz CNUVPHHLNBMPEA-UTUOFQBUSA-N 1 0 347.437 -2.034 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1CC[NH2+]CCF ZINC001104440533 785205926 /nfs/dbraw/zinc/20/59/26/785205926.db2.gz KPAYORXADXOKMA-UTUOFQBUSA-N 1 0 349.428 -1.057 20 0 EAADRO CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C ZINC001104440730 785206005 /nfs/dbraw/zinc/20/60/05/785206005.db2.gz VAUVZEFKCDOSAK-UTUOFQBUSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104441329 785208649 /nfs/dbraw/zinc/20/86/49/785208649.db2.gz HEAVONUMOHGBGJ-WZRBSPASSA-N 1 0 348.407 -1.075 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104449711 785208290 /nfs/dbraw/zinc/20/82/90/785208290.db2.gz CJGRXZHAULBEJS-VXGBXAGGSA-N 1 0 338.412 -1.469 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC)C1 ZINC001104451980 785209520 /nfs/dbraw/zinc/20/95/20/785209520.db2.gz AAWQJZDXBAMEAA-VXGBXAGGSA-N 1 0 336.458 -1.239 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104452721 785211512 /nfs/dbraw/zinc/21/15/12/785211512.db2.gz RKSIMVRTJJZYMH-NXEZZACHSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001104452726 785212246 /nfs/dbraw/zinc/21/22/46/785212246.db2.gz RRXLRSKIYCXEIB-GMTAPVOTSA-N 1 0 349.457 -2.012 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001104452727 785210867 /nfs/dbraw/zinc/21/08/67/785210867.db2.gz RRXLRSKIYCXEIB-OUAUKWLOSA-N 1 0 349.457 -2.012 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001104452741 785212195 /nfs/dbraw/zinc/21/21/95/785212195.db2.gz SNMDFVVVZXRADP-GHMZBOCLSA-N 1 0 349.457 -2.140 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)O)C1 ZINC001104452936 785212205 /nfs/dbraw/zinc/21/22/05/785212205.db2.gz WRZWWUIUIFBZDR-GRYCIOLGSA-N 1 0 336.458 -1.505 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)O)C1 ZINC001104452937 785211932 /nfs/dbraw/zinc/21/19/32/785211932.db2.gz WRZWWUIUIFBZDR-IJLUTSLNSA-N 1 0 336.458 -1.505 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104452988 785210956 /nfs/dbraw/zinc/21/09/56/785210956.db2.gz YZFIGFLRDZNCSP-VXGBXAGGSA-N 1 0 336.458 -1.503 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104476518 785217544 /nfs/dbraw/zinc/21/75/44/785217544.db2.gz ABIFJSHZNNAVBT-PSASIEDQSA-N 1 0 337.384 -1.004 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001104486238 785221751 /nfs/dbraw/zinc/22/17/51/785221751.db2.gz CZXGNAWIMMCBMC-CHWSQXEVSA-N 1 0 339.440 -1.762 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C)C(N)=O ZINC001104486364 785222250 /nfs/dbraw/zinc/22/22/50/785222250.db2.gz FJUSZXOTMHRYSP-FRRDWIJNSA-N 1 0 339.440 -1.634 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C)C(N)=O ZINC001104486365 785220986 /nfs/dbraw/zinc/22/09/86/785220986.db2.gz FJUSZXOTMHRYSP-JHJVBQTASA-N 1 0 339.440 -1.634 20 0 EAADRO C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001104486430 785222367 /nfs/dbraw/zinc/22/23/67/785222367.db2.gz GLSLIPFTUAYYSB-HZSPNIEDSA-N 1 0 326.441 -1.127 20 0 EAADRO C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001104486438 785221602 /nfs/dbraw/zinc/22/16/02/785221602.db2.gz GLSLIPFTUAYYSB-MGPQQGTHSA-N 1 0 326.441 -1.127 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104486734 785221225 /nfs/dbraw/zinc/22/12/25/785221225.db2.gz LREYQHQVUZQLKE-VXGBXAGGSA-N 1 0 325.413 -2.022 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104487114 785221644 /nfs/dbraw/zinc/22/16/44/785221644.db2.gz QQLLTCACHOUMLX-GMTAPVOTSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104487119 785221169 /nfs/dbraw/zinc/22/11/69/785221169.db2.gz QQLLTCACHOUMLX-HBNTYKKESA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC[NH2+]CCCO ZINC001104487411 785222124 /nfs/dbraw/zinc/22/21/24/785222124.db2.gz WPLAPGSSRRLJPE-ZIAGYGMSSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104489892 785222756 /nfs/dbraw/zinc/22/27/56/785222756.db2.gz HXIKRZNPNOBXOF-IJLUTSLNSA-N 1 0 335.412 -1.080 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104489893 785224152 /nfs/dbraw/zinc/22/41/52/785224152.db2.gz HXIKRZNPNOBXOF-UTUOFQBUSA-N 1 0 335.412 -1.080 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104490170 785223251 /nfs/dbraw/zinc/22/32/51/785223251.db2.gz RNTBTZCXNTVOCD-GMTAPVOTSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104490171 785223238 /nfs/dbraw/zinc/22/32/38/785223238.db2.gz RNTBTZCXNTVOCD-MXWKQRLJSA-N 1 0 339.396 -1.608 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001104493898 785226116 /nfs/dbraw/zinc/22/61/16/785226116.db2.gz RRAHKBDLKYOLRG-IJLUTSLNSA-N 1 0 325.413 -1.170 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001104493899 785225250 /nfs/dbraw/zinc/22/52/50/785225250.db2.gz RRAHKBDLKYOLRG-UTUOFQBUSA-N 1 0 325.413 -1.170 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104518669 785239254 /nfs/dbraw/zinc/23/92/54/785239254.db2.gz AIISEFAKFXHQFO-RKDXNWHRSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CC[NH2+]CCOCCO ZINC001104518709 785239939 /nfs/dbraw/zinc/23/99/39/785239939.db2.gz CJHLLLUYKLDLOI-VXGBXAGGSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104518753 785239778 /nfs/dbraw/zinc/23/97/78/785239778.db2.gz GBBBXRGWCBFHIH-GHMZBOCLSA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104518909 785239619 /nfs/dbraw/zinc/23/96/19/785239619.db2.gz OLWLKKCAXCQSJZ-NXEZZACHSA-N 1 0 334.388 -1.378 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104518965 785240042 /nfs/dbraw/zinc/24/00/42/785240042.db2.gz RKIMATZYMWMYTH-NXEZZACHSA-N 1 0 349.399 -1.480 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001104519042 785239676 /nfs/dbraw/zinc/23/96/76/785239676.db2.gz WBILRZQEDJGZKV-IJLUTSLNSA-N 1 0 326.401 -1.095 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001104519043 785239894 /nfs/dbraw/zinc/23/98/94/785239894.db2.gz WBILRZQEDJGZKV-UTUOFQBUSA-N 1 0 326.401 -1.095 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001104602538 785258512 /nfs/dbraw/zinc/25/85/12/785258512.db2.gz BCHACTCMLLDHKG-IJLUTSLNSA-N 1 0 325.413 -1.122 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001104602541 785259013 /nfs/dbraw/zinc/25/90/13/785259013.db2.gz BCHACTCMLLDHKG-UTUOFQBUSA-N 1 0 325.413 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104602565 785258347 /nfs/dbraw/zinc/25/83/47/785258347.db2.gz BFYUCPDVMXSSGC-BBBLOLIVSA-N 1 0 340.384 -2.063 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104602569 785258780 /nfs/dbraw/zinc/25/87/80/785258780.db2.gz BFYUCPDVMXSSGC-OPRDCNLKSA-N 1 0 340.384 -2.063 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CCOCCO ZINC001104602902 785259088 /nfs/dbraw/zinc/25/90/88/785259088.db2.gz FKZQIIXAXRAYGT-JHJVBQTASA-N 1 0 328.413 -1.249 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CCOCCO ZINC001104602903 785258548 /nfs/dbraw/zinc/25/85/48/785258548.db2.gz FKZQIIXAXRAYGT-UPJWGTAASA-N 1 0 328.413 -1.249 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104603286 785258854 /nfs/dbraw/zinc/25/88/54/785258854.db2.gz JUESSICHBRWMLE-IJLUTSLNSA-N 1 0 325.413 -1.170 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104603287 785259115 /nfs/dbraw/zinc/25/91/15/785259115.db2.gz JUESSICHBRWMLE-UTUOFQBUSA-N 1 0 325.413 -1.170 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104603838 785258573 /nfs/dbraw/zinc/25/85/73/785258573.db2.gz QKJDDQVJJFFIOU-GMTAPVOTSA-N 1 0 336.400 -1.534 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104603839 785259039 /nfs/dbraw/zinc/25/90/39/785259039.db2.gz QKJDDQVJJFFIOU-MXWKQRLJSA-N 1 0 336.400 -1.534 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104604368 785258628 /nfs/dbraw/zinc/25/86/28/785258628.db2.gz WGLXQUJFHQHEIA-IJLUTSLNSA-N 1 0 346.453 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104604370 785258848 /nfs/dbraw/zinc/25/88/48/785258848.db2.gz WGLXQUJFHQHEIA-UTUOFQBUSA-N 1 0 346.453 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104604380 785258422 /nfs/dbraw/zinc/25/84/22/785258422.db2.gz WIIKTYDURRNVOT-JHJVBQTASA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104604383 785258961 /nfs/dbraw/zinc/25/89/61/785258961.db2.gz WIIKTYDURRNVOT-UPJWGTAASA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001104608606 785258614 /nfs/dbraw/zinc/25/86/14/785258614.db2.gz MPHMMHDZRJRYGT-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]Cc1nnc2n1CCOC2 ZINC001104609158 785258806 /nfs/dbraw/zinc/25/88/06/785258806.db2.gz CBBFGMWYUNHKQC-GHMZBOCLSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)Nc1cnccn1 ZINC001104609230 785259265 /nfs/dbraw/zinc/25/92/65/785259265.db2.gz FSWFBZGNSUBEBM-GHMZBOCLSA-N 1 0 334.380 -1.025 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104609869 785258560 /nfs/dbraw/zinc/25/85/60/785258560.db2.gz YPIORDLFATVPGO-GHMZBOCLSA-N 1 0 334.442 -1.385 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CCN1CCCS1(=O)=O ZINC001104610856 785258390 /nfs/dbraw/zinc/25/83/90/785258390.db2.gz AGOKLKBFULFPRL-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001104610871 785259218 /nfs/dbraw/zinc/25/92/18/785259218.db2.gz ATHRWSZYTYRMGX-NXEZZACHSA-N 1 0 339.396 -1.466 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104610881 785258502 /nfs/dbraw/zinc/25/85/02/785258502.db2.gz BBPMUBVJUMLCOS-JHJVBQTASA-N 1 0 331.413 -1.430 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104610882 785259032 /nfs/dbraw/zinc/25/90/32/785259032.db2.gz BBPMUBVJUMLCOS-UPJWGTAASA-N 1 0 331.413 -1.430 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001104610958 785258762 /nfs/dbraw/zinc/25/87/62/785258762.db2.gz CGVBRRPLEDBXFN-JHJVBQTASA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001104610959 785258277 /nfs/dbraw/zinc/25/82/77/785258277.db2.gz CGVBRRPLEDBXFN-UPJWGTAASA-N 1 0 340.424 -1.159 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104611403 785260419 /nfs/dbraw/zinc/26/04/19/785260419.db2.gz JQKVHYIRCZRAGE-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001104611408 785260165 /nfs/dbraw/zinc/26/01/65/785260165.db2.gz JXOKHEWICJINDY-GHMZBOCLSA-N 1 0 339.396 -2.496 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104611607 785259671 /nfs/dbraw/zinc/25/96/71/785259671.db2.gz KQFCYBWIQLHLDF-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104611639 785260591 /nfs/dbraw/zinc/26/05/91/785260591.db2.gz MAPDFSDRYBEYRE-NXEZZACHSA-N 1 0 327.385 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001104611721 785260401 /nfs/dbraw/zinc/26/04/01/785260401.db2.gz OPFWRRZMMVLUBQ-GRYCIOLGSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001104611725 785260424 /nfs/dbraw/zinc/26/04/24/785260424.db2.gz OPFWRRZMMVLUBQ-IJLUTSLNSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001104611824 785260596 /nfs/dbraw/zinc/26/05/96/785260596.db2.gz PNTZATXHPSBSPP-UPJWGTAASA-N 1 0 340.424 -1.471 20 0 EAADRO CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104611972 785260206 /nfs/dbraw/zinc/26/02/06/785260206.db2.gz SSBPXVIHKYUUAA-DGCLKSJQSA-N 1 0 328.413 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001104612244 785260228 /nfs/dbraw/zinc/26/02/28/785260228.db2.gz VCPWRFKFYLLZJY-FRRDWIJNSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001104612246 785260539 /nfs/dbraw/zinc/26/05/39/785260539.db2.gz VCPWRFKFYLLZJY-JHJVBQTASA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CCN(C)S(C)(=O)=O ZINC001104612325 785260609 /nfs/dbraw/zinc/26/06/09/785260609.db2.gz WWEWLFKFDHWKHQ-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001104612337 785260553 /nfs/dbraw/zinc/26/05/53/785260553.db2.gz XHCRDKLCWSHLHZ-VXGBXAGGSA-N 1 0 326.397 -1.595 20 0 EAADRO COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104612476 785260486 /nfs/dbraw/zinc/26/04/86/785260486.db2.gz ZEZXFTZDPOUVQD-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CCN1C(=O)CNC1=O ZINC001104612836 785259300 /nfs/dbraw/zinc/25/93/00/785259300.db2.gz FRASPQLQBDYDSO-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CCCN1C(=O)CNC1=O ZINC001104613059 785260359 /nfs/dbraw/zinc/26/03/59/785260359.db2.gz HFNKTHSDSMTTOX-GHMZBOCLSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CCCS(=O)(=O)N(C)C ZINC001104613336 785260352 /nfs/dbraw/zinc/26/03/52/785260352.db2.gz KXOGZLWUCQZDAY-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104613371 785259826 /nfs/dbraw/zinc/25/98/26/785259826.db2.gz MPPMMSXAZZLFSN-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104614157 785260290 /nfs/dbraw/zinc/26/02/90/785260290.db2.gz ZVVQLUHURNJNPO-NXEZZACHSA-N 1 0 339.396 -1.479 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104614170 785260581 /nfs/dbraw/zinc/26/05/81/785260581.db2.gz ALPWIUQAFIQTLS-GMTAPVOTSA-N 1 0 341.412 -1.220 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104614171 785260543 /nfs/dbraw/zinc/26/05/43/785260543.db2.gz ALPWIUQAFIQTLS-OUAUKWLOSA-N 1 0 341.412 -1.220 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC1CCOCC1 ZINC001104614997 785260492 /nfs/dbraw/zinc/26/04/92/785260492.db2.gz XQPYSBNTALMNSJ-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104615003 785259938 /nfs/dbraw/zinc/25/99/38/785259938.db2.gz XXMHKJPNGKSSDG-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104617512 785260559 /nfs/dbraw/zinc/26/05/59/785260559.db2.gz WIQULAJBUQBTQF-KXUCPTDWSA-N 1 0 327.385 -1.610 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104617513 785260428 /nfs/dbraw/zinc/26/04/28/785260428.db2.gz WIQULAJBUQBTQF-OPRDCNLKSA-N 1 0 327.385 -1.610 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001104617550 785260313 /nfs/dbraw/zinc/26/03/13/785260313.db2.gz XVXZBAHUZFPEOC-FRRDWIJNSA-N 1 0 340.424 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001104617551 785260585 /nfs/dbraw/zinc/26/05/85/785260585.db2.gz XVXZBAHUZFPEOC-JHJVBQTASA-N 1 0 340.424 -1.301 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104647591 785260506 /nfs/dbraw/zinc/26/05/06/785260506.db2.gz CNGCLOGRGGXPKX-IJLUTSLNSA-N 1 0 344.412 -1.083 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104647592 785260549 /nfs/dbraw/zinc/26/05/49/785260549.db2.gz CNGCLOGRGGXPKX-UTUOFQBUSA-N 1 0 344.412 -1.083 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1CC[NH2+]CCO ZINC001104662266 785260341 /nfs/dbraw/zinc/26/03/41/785260341.db2.gz USPJAUJTCNWBGX-NXEZZACHSA-N 1 0 345.425 -1.263 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104672341 785259864 /nfs/dbraw/zinc/25/98/64/785259864.db2.gz HPSIIFLMTRIWSX-FVCCEPFGSA-N 1 0 340.424 -1.161 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104673265 785260477 /nfs/dbraw/zinc/26/04/77/785260477.db2.gz VKDJBNVULDXCIO-WISYIIOYSA-N 1 0 326.397 -1.421 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104686781 785261620 /nfs/dbraw/zinc/26/16/20/785261620.db2.gz PJDGWQIWOZNWDW-DBIOUOCHSA-N 1 0 339.396 -1.623 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104687095 785261698 /nfs/dbraw/zinc/26/16/98/785261698.db2.gz XMIOGDVXIWLBEX-KKOKHZNYSA-N 1 0 335.412 -1.094 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104724975 785261752 /nfs/dbraw/zinc/26/17/52/785261752.db2.gz NSYFKYOTJZWWGX-GMTAPVOTSA-N 1 0 334.442 -1.516 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104724980 785261037 /nfs/dbraw/zinc/26/10/37/785261037.db2.gz NSYFKYOTJZWWGX-OUAUKWLOSA-N 1 0 334.442 -1.516 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001104725448 785261882 /nfs/dbraw/zinc/26/18/82/785261882.db2.gz VZFAVDSDDVHESB-GRYCIOLGSA-N 1 0 348.469 -1.256 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001104725458 785261811 /nfs/dbraw/zinc/26/18/11/785261811.db2.gz VZFAVDSDDVHESB-IJLUTSLNSA-N 1 0 348.469 -1.256 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001104735962 785262773 /nfs/dbraw/zinc/26/27/73/785262773.db2.gz DNUZPOLPKWYGKR-MXWKQRLJSA-N 1 0 339.396 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104736129 785262439 /nfs/dbraw/zinc/26/24/39/785262439.db2.gz LHRUSCBZCRXPBV-BBBLOLIVSA-N 1 0 325.369 -1.856 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104737696 785262419 /nfs/dbraw/zinc/26/24/19/785262419.db2.gz OFVASEJCNSGRPS-GHMZBOCLSA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1CC[NH2+]CCO ZINC001104738501 785262708 /nfs/dbraw/zinc/26/27/08/785262708.db2.gz YEPZNAZLULNPMN-VXGBXAGGSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1CC[NH2+]CCO ZINC001104747979 785269687 /nfs/dbraw/zinc/26/96/87/785269687.db2.gz BFHSGGKVBPHMLJ-VXGBXAGGSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1CC[NH2+]CCO ZINC001104749632 785276713 /nfs/dbraw/zinc/27/67/13/785276713.db2.gz BVQWZVUDFOYABI-CHWSQXEVSA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1CC[NH2+]CCO ZINC001104751629 785278516 /nfs/dbraw/zinc/27/85/16/785278516.db2.gz ZTIOCYPUJITMKI-GHMZBOCLSA-N 1 0 340.380 -1.527 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1)C(N)=O ZINC001104756607 785281802 /nfs/dbraw/zinc/28/18/02/785281802.db2.gz BAYYESQFQQUMTD-RTXFEEFZSA-N 1 0 328.413 -1.567 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)C(N)=O ZINC001104756876 785282001 /nfs/dbraw/zinc/28/20/01/785282001.db2.gz JAEGBQWQPCEAHS-JLLWLGSASA-N 1 0 341.412 -2.074 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1)C(N)=O ZINC001104757633 785282489 /nfs/dbraw/zinc/28/24/89/785282489.db2.gz ZTRUEBVHOJXQMI-BNOWGMLFSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104766091 785284718 /nfs/dbraw/zinc/28/47/18/785284718.db2.gz YXSKITFYONHCMH-GHMZBOCLSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104767935 785283304 /nfs/dbraw/zinc/28/33/04/785283304.db2.gz DWPWKZXZQFZDLK-GHMZBOCLSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104781706 785283688 /nfs/dbraw/zinc/28/36/88/785283688.db2.gz FEHVUEOMQICUKW-IJLUTSLNSA-N 1 0 346.453 -1.420 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104781707 785284166 /nfs/dbraw/zinc/28/41/66/785284166.db2.gz FEHVUEOMQICUKW-UTUOFQBUSA-N 1 0 346.453 -1.420 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001104788254 785283836 /nfs/dbraw/zinc/28/38/36/785283836.db2.gz HNWWGKZZKKCNAL-GHMZBOCLSA-N 1 0 338.408 -1.141 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(N)=O ZINC001104789158 785283347 /nfs/dbraw/zinc/28/33/47/785283347.db2.gz ZKWYCCTYWZGBJA-GMTAPVOTSA-N 1 0 338.408 -1.013 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(N)=O ZINC001104789159 785284554 /nfs/dbraw/zinc/28/45/54/785284554.db2.gz ZKWYCCTYWZGBJA-OUAUKWLOSA-N 1 0 338.408 -1.013 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104791440 785284918 /nfs/dbraw/zinc/28/49/18/785284918.db2.gz YJHRPCBZIGUOGL-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001104799592 785284016 /nfs/dbraw/zinc/28/40/16/785284016.db2.gz ODKMOQZJYMIGQV-BNOWGMLFSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001104799593 785286868 /nfs/dbraw/zinc/28/68/68/785286868.db2.gz ODKMOQZJYMIGQV-MRVWCRGKSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1CC[NH2+]CCO ZINC001104800893 785286639 /nfs/dbraw/zinc/28/66/39/785286639.db2.gz LBNNZKCTSDIITP-CHWSQXEVSA-N 1 0 338.408 -1.007 20 0 EAADRO C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001104802933 785286443 /nfs/dbraw/zinc/28/64/43/785286443.db2.gz LNNHSTJLNSOQPS-GRYCIOLGSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001104802934 785285850 /nfs/dbraw/zinc/28/58/50/785285850.db2.gz LNNHSTJLNSOQPS-IJLUTSLNSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CC[NH2+]CCCO ZINC001104802993 785285500 /nfs/dbraw/zinc/28/55/00/785285500.db2.gz NLTQQDAXHNAHKQ-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104803189 785286287 /nfs/dbraw/zinc/28/62/87/785286287.db2.gz QJVAVPSINXIAQM-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001104803551 785286807 /nfs/dbraw/zinc/28/68/07/785286807.db2.gz UKALYXKKEDUOHC-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001104803733 785286524 /nfs/dbraw/zinc/28/65/24/785286524.db2.gz YEVOQBZGEQQIIN-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001104803734 785286706 /nfs/dbraw/zinc/28/67/06/785286706.db2.gz YEVOQBZGEQQIIN-OUAUKWLOSA-N 1 0 339.396 -1.514 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001104810230 785286380 /nfs/dbraw/zinc/28/63/80/785286380.db2.gz HYMVCJGGZVHADZ-NXEZZACHSA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104832802 785287519 /nfs/dbraw/zinc/28/75/19/785287519.db2.gz UOUFEFNVDHGPAH-VXGBXAGGSA-N 1 0 348.415 -1.139 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104856857 785287548 /nfs/dbraw/zinc/28/75/48/785287548.db2.gz ITLICZIIIRADGI-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104857003 785287561 /nfs/dbraw/zinc/28/75/61/785287561.db2.gz OWCFOTHJTQBGAZ-VXGBXAGGSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104857157 785287432 /nfs/dbraw/zinc/28/74/32/785287432.db2.gz WSKAONCRJDFHJL-VXGBXAGGSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CC[NH2+]CCO ZINC001104878907 785289526 /nfs/dbraw/zinc/28/95/26/785289526.db2.gz UZXATRYBXSTEQH-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104878958 785289205 /nfs/dbraw/zinc/28/92/05/785289205.db2.gz YHAAQUUZMKYACA-GHMZBOCLSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104891698 785289744 /nfs/dbraw/zinc/28/97/44/785289744.db2.gz PJECABQYMCJZBU-NXEZZACHSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104901771 785291347 /nfs/dbraw/zinc/29/13/47/785291347.db2.gz RNAOVCMYAMEPTD-GHMZBOCLSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CC[NH2+]CCO ZINC001104901904 785291788 /nfs/dbraw/zinc/29/17/88/785291788.db2.gz YLHDVCGDFFPSJP-VXGBXAGGSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104902342 785292378 /nfs/dbraw/zinc/29/23/78/785292378.db2.gz PEGVGUACTDEXHN-NXEZZACHSA-N 1 0 347.379 -1.409 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104926768 785291697 /nfs/dbraw/zinc/29/16/97/785291697.db2.gz CJKMSGQRXINCMR-MXWKQRLJSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001104964862 785292767 /nfs/dbraw/zinc/29/27/67/785292767.db2.gz PFGAUXIQBNOMAA-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104964916 785293235 /nfs/dbraw/zinc/29/32/35/785293235.db2.gz PKZNKIAXXMOBGG-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001104965041 785293680 /nfs/dbraw/zinc/29/36/80/785293680.db2.gz VDKAFLINMMDNOF-GRYCIOLGSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001104965042 785293922 /nfs/dbraw/zinc/29/39/22/785293922.db2.gz VDKAFLINMMDNOF-IJLUTSLNSA-N 1 0 348.469 -1.174 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCO)C2)c(=O)n1C ZINC001104966874 785293536 /nfs/dbraw/zinc/29/35/36/785293536.db2.gz IWFQAJABGLBZFC-DGCLKSJQSA-N 1 0 325.413 -1.043 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001104967518 785293797 /nfs/dbraw/zinc/29/37/97/785293797.db2.gz SNOWUGQLYBZSRJ-BNOWGMLFSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001104967519 785293807 /nfs/dbraw/zinc/29/38/07/785293807.db2.gz SNOWUGQLYBZSRJ-MRVWCRGKSA-N 1 0 340.424 -1.207 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001104967540 785293525 /nfs/dbraw/zinc/29/35/25/785293525.db2.gz UTOIHZUFGZPGAR-ZYHUDNBSSA-N 1 0 338.412 -1.550 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104984816 785293610 /nfs/dbraw/zinc/29/36/10/785293610.db2.gz KFWNJQARNANUDQ-GHMZBOCLSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104986541 785293245 /nfs/dbraw/zinc/29/32/45/785293245.db2.gz JAUWSNMAPGGCBV-VXGBXAGGSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001104987010 785294107 /nfs/dbraw/zinc/29/41/07/785294107.db2.gz HNOVYTSHOQQFIY-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001104987011 785292781 /nfs/dbraw/zinc/29/27/81/785292781.db2.gz HNOVYTSHOQQFIY-OUAUKWLOSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104987038 785294030 /nfs/dbraw/zinc/29/40/30/785294030.db2.gz JLIPBUKCSZADJB-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001104987229 785292944 /nfs/dbraw/zinc/29/29/44/785292944.db2.gz NMOIGLAYBUYJGG-GRYCIOLGSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001104987230 785292893 /nfs/dbraw/zinc/29/28/93/785292893.db2.gz NMOIGLAYBUYJGG-IJLUTSLNSA-N 1 0 326.397 -1.007 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001104987270 785293051 /nfs/dbraw/zinc/29/30/51/785293051.db2.gz OSLQHECDEVTBGG-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104987421 785293650 /nfs/dbraw/zinc/29/36/50/785293650.db2.gz RAVGQPJBWHXYNH-GHMZBOCLSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CC[NH2+]CCO ZINC001104987467 785295068 /nfs/dbraw/zinc/29/50/68/785295068.db2.gz SKNQXRYZXNEORT-VXGBXAGGSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC[NH2+]CCCO ZINC001104987607 785295704 /nfs/dbraw/zinc/29/57/04/785295704.db2.gz XWAJSOYAGURLLW-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104990058 785292988 /nfs/dbraw/zinc/29/29/88/785292988.db2.gz GBRAWGYTEXOKMA-NXEZZACHSA-N 1 0 342.400 -1.686 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104990116 785293488 /nfs/dbraw/zinc/29/34/88/785293488.db2.gz JAJHHHXWHCEXOE-GHMZBOCLSA-N 1 0 338.416 -1.157 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104990413 785293222 /nfs/dbraw/zinc/29/32/22/785293222.db2.gz WYBLBNAFIGTLNI-GMTAPVOTSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104990414 785294268 /nfs/dbraw/zinc/29/42/68/785294268.db2.gz WYBLBNAFIGTLNI-MXWKQRLJSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001104991447 785295133 /nfs/dbraw/zinc/29/51/33/785295133.db2.gz IBUOFRQBRGWPHV-VXGBXAGGSA-N 1 0 338.408 -1.044 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001104991496 785295084 /nfs/dbraw/zinc/29/50/84/785295084.db2.gz KHGFOQJQRUMADA-NXEZZACHSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1CC[NH2+]CC(N)=O ZINC001105007269 785294666 /nfs/dbraw/zinc/29/46/66/785294666.db2.gz AFEJBZMIRFPHBZ-NXEZZACHSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1CC[NH2+]CCO ZINC001105007339 785294949 /nfs/dbraw/zinc/29/49/49/785294949.db2.gz FXYWTCWYQCKECH-ZIAGYGMSSA-N 1 0 347.481 -1.217 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001105022944 785294961 /nfs/dbraw/zinc/29/49/61/785294961.db2.gz LNOWGKNSSVKPTP-IJLUTSLNSA-N 1 0 346.453 -1.502 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001105022945 785295296 /nfs/dbraw/zinc/29/52/96/785295296.db2.gz LNOWGKNSSVKPTP-UTUOFQBUSA-N 1 0 346.453 -1.502 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105023381 785295720 /nfs/dbraw/zinc/29/57/20/785295720.db2.gz XAJXNWJYDNWECK-GMTAPVOTSA-N 1 0 332.426 -1.762 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105023382 785295242 /nfs/dbraw/zinc/29/52/42/785295242.db2.gz XAJXNWJYDNWECK-MXWKQRLJSA-N 1 0 332.426 -1.762 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001105024657 785296105 /nfs/dbraw/zinc/29/61/05/785296105.db2.gz DKHMPRVFPMQAHF-IJLUTSLNSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001105024658 785296976 /nfs/dbraw/zinc/29/69/76/785296976.db2.gz DKHMPRVFPMQAHF-UTUOFQBUSA-N 1 0 346.453 -1.502 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001105024857 785296996 /nfs/dbraw/zinc/29/69/96/785296996.db2.gz JGCBKOJFALLDDC-GHMZBOCLSA-N 1 0 334.442 -1.644 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001105025036 785296229 /nfs/dbraw/zinc/29/62/29/785296229.db2.gz MSZCCBMHCBNECB-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001105025164 785296530 /nfs/dbraw/zinc/29/65/30/785296530.db2.gz OAXYCHZLZUYFQR-IJLUTSLNSA-N 1 0 348.469 -1.126 20 0 EAADRO CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001105025165 785296304 /nfs/dbraw/zinc/29/63/04/785296304.db2.gz OAXYCHZLZUYFQR-UTUOFQBUSA-N 1 0 348.469 -1.126 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001105025419 785296867 /nfs/dbraw/zinc/29/68/67/785296867.db2.gz UMTMLDVQROPUPU-GRYCIOLGSA-N 1 0 348.469 -1.256 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001105025420 785297075 /nfs/dbraw/zinc/29/70/75/785297075.db2.gz UMTMLDVQROPUPU-IJLUTSLNSA-N 1 0 348.469 -1.256 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001105025444 785296390 /nfs/dbraw/zinc/29/63/90/785296390.db2.gz VGYBUMURGSOCST-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001105025455 785296360 /nfs/dbraw/zinc/29/63/60/785296360.db2.gz WHCNTOKQWFVTPK-GMTAPVOTSA-N 1 0 334.442 -1.516 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001105025456 785296940 /nfs/dbraw/zinc/29/69/40/785296940.db2.gz WHCNTOKQWFVTPK-OUAUKWLOSA-N 1 0 334.442 -1.516 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105033998 785296893 /nfs/dbraw/zinc/29/68/93/785296893.db2.gz JESJGWPMDWJVQK-BNOWGMLFSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105033999 785296423 /nfs/dbraw/zinc/29/64/23/785296423.db2.gz JESJGWPMDWJVQK-MRVWCRGKSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001105053579 785298199 /nfs/dbraw/zinc/29/81/99/785298199.db2.gz TZUPGRSSCAKQOR-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1CC[NH2+]CCO ZINC001105058938 785297893 /nfs/dbraw/zinc/29/78/93/785297893.db2.gz GACMUHDIARYEGB-CHWSQXEVSA-N 1 0 338.412 -1.539 20 0 EAADRO C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001105064067 785297811 /nfs/dbraw/zinc/29/78/11/785297811.db2.gz UTTLGSKILGGNNN-GRYCIOLGSA-N 1 0 338.412 -1.168 20 0 EAADRO C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001105064068 785298316 /nfs/dbraw/zinc/29/83/16/785298316.db2.gz UTTLGSKILGGNNN-IJLUTSLNSA-N 1 0 338.412 -1.168 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105064112 785298157 /nfs/dbraw/zinc/29/81/57/785298157.db2.gz XGGDLICFNYZKOH-NXEZZACHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CC[NH2+]CCCO ZINC001105064238 785297572 /nfs/dbraw/zinc/29/75/72/785297572.db2.gz FKZUADYHXRBASH-VXGBXAGGSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001105100471 785299709 /nfs/dbraw/zinc/29/97/09/785299709.db2.gz VBKPLORMTCIISX-GHMZBOCLSA-N 1 0 341.412 -1.089 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C ZINC001105121302 785299986 /nfs/dbraw/zinc/29/99/86/785299986.db2.gz UBMJPKDAJMPPNW-IJLUTSLNSA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C ZINC001105121303 785300401 /nfs/dbraw/zinc/30/04/01/785300401.db2.gz UBMJPKDAJMPPNW-UTUOFQBUSA-N 1 0 338.408 -1.141 20 0 EAADRO CC(=O)N1CC(n2cc(C[NH2+]CCCN3C(=O)CNC3=O)nn2)C1 ZINC001105129112 785302085 /nfs/dbraw/zinc/30/20/85/785302085.db2.gz OTPJVFPZQLAVCG-UHFFFAOYSA-N 1 0 335.368 -1.287 20 0 EAADRO CC(=O)NCC(=O)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001105142963 785302929 /nfs/dbraw/zinc/30/29/29/785302929.db2.gz ZPCHNKKGTADOLR-GFCCVEGCSA-N 1 0 336.396 -1.076 20 0 EAADRO CC(=O)NCC(=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001105142964 785302993 /nfs/dbraw/zinc/30/29/93/785302993.db2.gz ZPCHNKKGTADOLR-LBPRGKRZSA-N 1 0 336.396 -1.076 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COCCO3)C2)nn1 ZINC001105164591 785303414 /nfs/dbraw/zinc/30/34/14/785303414.db2.gz HHJJTASWNXGGCX-MFKMUULPSA-N 1 0 325.369 -1.453 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COCCO3)C2)nn1 ZINC001105164594 785303370 /nfs/dbraw/zinc/30/33/70/785303370.db2.gz HHJJTASWNXGGCX-ZWNOBZJWSA-N 1 0 325.369 -1.453 20 0 EAADRO O=C(CNC(=O)C1CC1)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105171946 785303756 /nfs/dbraw/zinc/30/37/56/785303756.db2.gz VGSHSOOEMVTTCT-UHFFFAOYSA-N 1 0 336.396 -1.340 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001105176403 785304005 /nfs/dbraw/zinc/30/40/05/785304005.db2.gz JUXGDGWXLZZULD-SECBINFHSA-N 1 0 331.398 -1.824 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001105176404 785304059 /nfs/dbraw/zinc/30/40/59/785304059.db2.gz JUXGDGWXLZZULD-VIFPVBQESA-N 1 0 331.398 -1.824 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192553 785305240 /nfs/dbraw/zinc/30/52/40/785305240.db2.gz UNRAZOBSNUVZOW-GWCFXTLKSA-N 1 0 335.412 -1.281 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192554 785304696 /nfs/dbraw/zinc/30/46/96/785304696.db2.gz UNRAZOBSNUVZOW-GXFFZTMASA-N 1 0 335.412 -1.281 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192555 785304616 /nfs/dbraw/zinc/30/46/16/785304616.db2.gz UNRAZOBSNUVZOW-MFKMUULPSA-N 1 0 335.412 -1.281 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192556 785305180 /nfs/dbraw/zinc/30/51/80/785305180.db2.gz UNRAZOBSNUVZOW-ZWNOBZJWSA-N 1 0 335.412 -1.281 20 0 EAADRO Nc1nccnc1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105194710 785304982 /nfs/dbraw/zinc/30/49/82/785304982.db2.gz FIJQAPWGUXCLMV-UHFFFAOYSA-N 1 0 332.368 -1.181 20 0 EAADRO COCCOCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105197445 785305077 /nfs/dbraw/zinc/30/50/77/785305077.db2.gz SWBXEBSSPHWXTE-LLVKDONJSA-N 1 0 327.385 -1.205 20 0 EAADRO COCCOCC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105197446 785304584 /nfs/dbraw/zinc/30/45/84/785304584.db2.gz SWBXEBSSPHWXTE-NSHDSACASA-N 1 0 327.385 -1.205 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)n3cncn3)C2)nn1 ZINC001105215485 785307342 /nfs/dbraw/zinc/30/73/42/785307342.db2.gz CHHSJINCVFKABD-GHMZBOCLSA-N 1 0 334.384 -1.016 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)n3cncn3)C2)nn1 ZINC001105215494 785306066 /nfs/dbraw/zinc/30/60/66/785306066.db2.gz CHHSJINCVFKABD-MNOVXSKESA-N 1 0 334.384 -1.016 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)n3cncn3)C2)nn1 ZINC001105215496 785305826 /nfs/dbraw/zinc/30/58/26/785305826.db2.gz CHHSJINCVFKABD-QWRGUYRKSA-N 1 0 334.384 -1.016 20 0 EAADRO C[C@H](C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1)n1cncn1 ZINC001105215498 785306987 /nfs/dbraw/zinc/30/69/87/785306987.db2.gz CHHSJINCVFKABD-WDEREUQCSA-N 1 0 334.384 -1.016 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105215557 785306127 /nfs/dbraw/zinc/30/61/27/785306127.db2.gz DSVCILNWIUMQND-AWEZNQCLSA-N 1 0 338.412 -1.536 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105215560 785305898 /nfs/dbraw/zinc/30/58/98/785305898.db2.gz DSVCILNWIUMQND-CQSZACIVSA-N 1 0 338.412 -1.536 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC001105215689 785305995 /nfs/dbraw/zinc/30/59/95/785305995.db2.gz FVRNYUVUYJSJFR-SECBINFHSA-N 1 0 336.356 -1.871 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC001105215709 785305920 /nfs/dbraw/zinc/30/59/20/785305920.db2.gz FVRNYUVUYJSJFR-VIFPVBQESA-N 1 0 336.356 -1.871 20 0 EAADRO C[C@H](C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)n1cncn1 ZINC001105215784 785307059 /nfs/dbraw/zinc/30/70/59/785307059.db2.gz JTUCGJWTMADEDZ-LLVKDONJSA-N 1 0 334.384 -1.014 20 0 EAADRO C[C@@H](C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)n1cncn1 ZINC001105215785 785305942 /nfs/dbraw/zinc/30/59/42/785305942.db2.gz JTUCGJWTMADEDZ-NSHDSACASA-N 1 0 334.384 -1.014 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105215950 785307275 /nfs/dbraw/zinc/30/72/75/785307275.db2.gz LTXPCAACSVWERO-UHFFFAOYSA-N 1 0 336.356 -1.869 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COCCN3C)C2)nn1 ZINC001105216362 785306785 /nfs/dbraw/zinc/30/67/85/785306785.db2.gz STRNEHVBQGIREE-BXUZGUMPSA-N 1 0 338.412 -1.538 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COCCN3C)C2)nn1 ZINC001105216363 785307746 /nfs/dbraw/zinc/30/77/46/785307746.db2.gz STRNEHVBQGIREE-FZMZJTMJSA-N 1 0 338.412 -1.538 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COCCN3C)C2)nn1 ZINC001105216364 785306237 /nfs/dbraw/zinc/30/62/37/785306237.db2.gz STRNEHVBQGIREE-RISCZKNCSA-N 1 0 338.412 -1.538 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COCCN3C)C2)nn1 ZINC001105216365 785305589 /nfs/dbraw/zinc/30/55/89/785305589.db2.gz STRNEHVBQGIREE-SMDDNHRTSA-N 1 0 338.412 -1.538 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3N)C2)nn1 ZINC001105217795 785307134 /nfs/dbraw/zinc/30/71/34/785307134.db2.gz LFDBITFVUSAQCK-SECBINFHSA-N 1 0 334.384 -1.239 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3N)C2)nn1 ZINC001105217796 785306040 /nfs/dbraw/zinc/30/60/40/785306040.db2.gz LFDBITFVUSAQCK-VIFPVBQESA-N 1 0 334.384 -1.239 20 0 EAADRO Cn1ncc(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)c1N ZINC001105218068 785306341 /nfs/dbraw/zinc/30/63/41/785306341.db2.gz VNPQOFCOZGNGCW-UHFFFAOYSA-N 1 0 334.384 -1.237 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(N)=O)C2)nn1 ZINC001105221163 785306820 /nfs/dbraw/zinc/30/68/20/785306820.db2.gz BAQCMZOQFAGMHT-BDAKNGLRSA-N 1 0 325.373 -1.811 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(N)=O)C2)nn1 ZINC001105221167 785307035 /nfs/dbraw/zinc/30/70/35/785307035.db2.gz BAQCMZOQFAGMHT-IUCAKERBSA-N 1 0 325.373 -1.811 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(n3cc(C[NH2+]C[C@H](C)O)nn3)C2)C1 ZINC001105221277 785309447 /nfs/dbraw/zinc/30/94/47/785309447.db2.gz DLWZPCNCZHLUPO-JTQLQIEISA-N 1 0 336.396 -1.390 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)O)nn3)C2)C1 ZINC001105221279 785308200 /nfs/dbraw/zinc/30/82/00/785308200.db2.gz DLWZPCNCZHLUPO-SNVBAGLBSA-N 1 0 336.396 -1.390 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CCn3ccnn3)C2)nn1 ZINC001105221282 785308241 /nfs/dbraw/zinc/30/82/41/785308241.db2.gz DNAWAVRRTGMGKC-LLVKDONJSA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CCn3ccnn3)C2)nn1 ZINC001105221284 785308067 /nfs/dbraw/zinc/30/80/67/785308067.db2.gz DNAWAVRRTGMGKC-NSHDSACASA-N 1 0 334.384 -1.186 20 0 EAADRO O=C(CCn1ccnn1)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105221532 785309110 /nfs/dbraw/zinc/30/91/10/785309110.db2.gz MRHLIXJLHWNNMP-UHFFFAOYSA-N 1 0 334.384 -1.185 20 0 EAADRO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001105221566 785308920 /nfs/dbraw/zinc/30/89/20/785308920.db2.gz ONWKQXLFHFTBOA-LLVKDONJSA-N 1 0 336.396 -1.076 20 0 EAADRO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001105221567 785308869 /nfs/dbraw/zinc/30/88/69/785308869.db2.gz ONWKQXLFHFTBOA-NSHDSACASA-N 1 0 336.396 -1.076 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105221721 785309358 /nfs/dbraw/zinc/30/93/58/785309358.db2.gz RNAFVHJVMHSXTB-VIFPVBQESA-N 1 0 325.373 -1.810 20 0 EAADRO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(N)=O)C2)nn1 ZINC001105221755 785308581 /nfs/dbraw/zinc/30/85/81/785308581.db2.gz TZTDWAMGIBPXCY-JTQLQIEISA-N 1 0 339.400 -1.156 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(=O)n(C)o3)C2)nn1 ZINC001105221761 785309559 /nfs/dbraw/zinc/30/95/59/785309559.db2.gz UFKICYAOVHMNPF-SECBINFHSA-N 1 0 336.352 -1.263 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(=O)n(C)o3)C2)nn1 ZINC001105221762 785308382 /nfs/dbraw/zinc/30/83/82/785308382.db2.gz UFKICYAOVHMNPF-VIFPVBQESA-N 1 0 336.352 -1.263 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001105221888 785309425 /nfs/dbraw/zinc/30/94/25/785309425.db2.gz ZIGOCARNSRNFBV-UHFFFAOYSA-N 1 0 336.396 -1.388 20 0 EAADRO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001105224955 785311397 /nfs/dbraw/zinc/31/13/97/785311397.db2.gz GXIWLVBCBZHWMG-GFCCVEGCSA-N 1 0 338.368 -1.104 20 0 EAADRO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001105224963 785311075 /nfs/dbraw/zinc/31/10/75/785311075.db2.gz GXIWLVBCBZHWMG-LBPRGKRZSA-N 1 0 338.368 -1.104 20 0 EAADRO Cn1oc(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)cc1=O ZINC001105227556 785311753 /nfs/dbraw/zinc/31/17/53/785311753.db2.gz OVPOGGCTTFNLHA-UHFFFAOYSA-N 1 0 336.352 -1.261 20 0 EAADRO CNC(=O)NCCC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105230580 785311157 /nfs/dbraw/zinc/31/11/57/785311157.db2.gz NPIRXCZROVJCTC-JTQLQIEISA-N 1 0 339.400 -1.549 20 0 EAADRO CNC(=O)NCCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105230581 785310287 /nfs/dbraw/zinc/31/02/87/785310287.db2.gz NPIRXCZROVJCTC-SNVBAGLBSA-N 1 0 339.400 -1.549 20 0 EAADRO CNC(=O)NCCC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105233439 785313000 /nfs/dbraw/zinc/31/30/00/785313000.db2.gz YZEPUECUMYASNS-UHFFFAOYSA-N 1 0 339.400 -1.548 20 0 EAADRO Cc1nnc(CC(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)[nH]1 ZINC001105235477 785312909 /nfs/dbraw/zinc/31/29/09/785312909.db2.gz HCQRVTMOIARJCZ-UHFFFAOYSA-N 1 0 334.384 -1.197 20 0 EAADRO Cc1nnc(CC(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)O)nn3)C2)[nH]1 ZINC001105235667 785312722 /nfs/dbraw/zinc/31/27/22/785312722.db2.gz NPHNPFHIDKVUSD-SECBINFHSA-N 1 0 334.384 -1.199 20 0 EAADRO Cc1nnc(CC(=O)N2CC(n3cc(C[NH2+]C[C@H](C)O)nn3)C2)[nH]1 ZINC001105235668 785312624 /nfs/dbraw/zinc/31/26/24/785312624.db2.gz NPHNPFHIDKVUSD-VIFPVBQESA-N 1 0 334.384 -1.199 20 0 EAADRO O=C(CO[C@H]1CCOC1)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105237961 785313453 /nfs/dbraw/zinc/31/34/53/785313453.db2.gz FHHWXTCCPQAWPX-AWEZNQCLSA-N 1 0 339.396 -1.061 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105237962 785313525 /nfs/dbraw/zinc/31/35/25/785313525.db2.gz FHHWXTCCPQAWPX-CQSZACIVSA-N 1 0 339.396 -1.061 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001105238133 785312410 /nfs/dbraw/zinc/31/24/10/785312410.db2.gz LTMMXJAQMYEWCE-BXUZGUMPSA-N 1 0 339.396 -1.063 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CO[C@H]3CCOC3)C2)nn1 ZINC001105238134 785313498 /nfs/dbraw/zinc/31/34/98/785313498.db2.gz LTMMXJAQMYEWCE-FZMZJTMJSA-N 1 0 339.396 -1.063 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CO[C@H]3CCOC3)C2)nn1 ZINC001105238135 785313425 /nfs/dbraw/zinc/31/34/25/785313425.db2.gz LTMMXJAQMYEWCE-RISCZKNCSA-N 1 0 339.396 -1.063 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001105238136 785313580 /nfs/dbraw/zinc/31/35/80/785313580.db2.gz LTMMXJAQMYEWCE-SMDDNHRTSA-N 1 0 339.396 -1.063 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CCS(=O)(=O)NC)C2)nn1 ZINC001105240155 785313465 /nfs/dbraw/zinc/31/34/65/785313465.db2.gz AIBOAWJBUUYOHZ-UHFFFAOYSA-N 1 0 330.414 -1.290 20 0 EAADRO COCCC[NH2+]Cc1cn(C2CN(C(=O)Cn3ncnn3)C2)nn1 ZINC001105240180 785313353 /nfs/dbraw/zinc/31/33/53/785313353.db2.gz BQRIGEWISVVBBO-UHFFFAOYSA-N 1 0 335.372 -1.526 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)NC(N)=O)C2)nn1 ZINC001105240301 785313490 /nfs/dbraw/zinc/31/34/90/785313490.db2.gz HEWOFFBBIJHECS-NXEZZACHSA-N 1 0 339.400 -1.421 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)NC(N)=O)C2)nn1 ZINC001105240302 785313517 /nfs/dbraw/zinc/31/35/17/785313517.db2.gz HEWOFFBBIJHECS-UWVGGRQHSA-N 1 0 339.400 -1.421 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)NC(N)=O)C2)nn1 ZINC001105240303 785313539 /nfs/dbraw/zinc/31/35/39/785313539.db2.gz HEWOFFBBIJHECS-VHSXEESVSA-N 1 0 339.400 -1.421 20 0 EAADRO C[C@H](CC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1)NC(N)=O ZINC001105240304 785313054 /nfs/dbraw/zinc/31/30/54/785313054.db2.gz HEWOFFBBIJHECS-ZJUUUORDSA-N 1 0 339.400 -1.421 20 0 EAADRO COCCCC[NH2+]Cc1cn(C2CN(C(=O)Cn3ncnn3)C2)nn1 ZINC001105240316 785312347 /nfs/dbraw/zinc/31/23/47/785312347.db2.gz HXCMKVNLCKRJDK-UHFFFAOYSA-N 1 0 349.399 -1.136 20 0 EAADRO C[C@@H](CC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)NC(N)=O ZINC001105240393 785312939 /nfs/dbraw/zinc/31/29/39/785312939.db2.gz LMXQXUDJNVBCRR-JTQLQIEISA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@H](CC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)NC(N)=O ZINC001105240394 785312490 /nfs/dbraw/zinc/31/24/90/785312490.db2.gz LMXQXUDJNVBCRR-SNVBAGLBSA-N 1 0 339.400 -1.420 20 0 EAADRO 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/nfs/dbraw/zinc/31/67/61/785316761.db2.gz VRCKJBABMSBYDO-UHFFFAOYSA-N 1 0 348.404 -1.388 20 0 EAADRO CN(CC(=O)N1CC(n2cc(CNCCO)nn2)C1)C(=O)C1CC1 ZINC001105254388 785317188 /nfs/dbraw/zinc/31/71/88/785317188.db2.gz XUXIGZRESZXUTR-UHFFFAOYSA-N 1 0 336.396 -1.388 20 0 EAADRO CN(CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1)C(=O)C1CC1 ZINC001105254401 785317234 /nfs/dbraw/zinc/31/72/34/785317234.db2.gz ZDVKRFUSVFMOOQ-UHFFFAOYSA-N 1 0 349.395 -1.895 20 0 EAADRO COCC(=O)NCCC(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105254405 785316197 /nfs/dbraw/zinc/31/61/97/785316197.db2.gz ZLLSEHURUQTAAR-UHFFFAOYSA-N 1 0 340.384 -2.104 20 0 EAADRO CNC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCCOC)nn2)C1 ZINC001105256446 785319763 /nfs/dbraw/zinc/31/97/63/785319763.db2.gz FCMVAOUZKWQFOG-UHFFFAOYSA-N 1 0 339.400 -1.284 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)CNC(=O)NC)C2)nn1 ZINC001105256479 785316919 /nfs/dbraw/zinc/31/69/19/785316919.db2.gz GAQUVGYRAZQWED-UHFFFAOYSA-N 1 0 338.372 -2.574 20 0 EAADRO CNC(=O)NCC(=O)N1CC(n2cc(CNC[C@H](C)OC)nn2)C1 ZINC001105256480 785317371 /nfs/dbraw/zinc/31/73/71/785317371.db2.gz GAXCKCLAQDVGHH-JTQLQIEISA-N 1 0 339.400 -1.285 20 0 EAADRO CNC(=O)NCC(=O)N1CC(n2cc(CNC[C@@H](C)OC)nn2)C1 ZINC001105256481 785317619 /nfs/dbraw/zinc/31/76/19/785317619.db2.gz GAXCKCLAQDVGHH-SNVBAGLBSA-N 1 0 339.400 -1.285 20 0 EAADRO CCOCCNCc1cn(C2CN(C(=O)CNC(=O)NC)C2)nn1 ZINC001105256491 785317426 /nfs/dbraw/zinc/31/74/26/785317426.db2.gz GPSGUVZLNCEUHZ-UHFFFAOYSA-N 1 0 339.400 -1.284 20 0 EAADRO CNC(=O)NCC(=O)N1CC(n2cc(CNCCOC)nn2)C1 ZINC001105256538 785317487 /nfs/dbraw/zinc/31/74/87/785317487.db2.gz IJOUMMUSSDSOOM-UHFFFAOYSA-N 1 0 325.373 -1.674 20 0 EAADRO COCCNCc1cn(C2CN(C(=O)C[C@H]3CCNC3=O)C2)nn1 ZINC001105256577 785316841 /nfs/dbraw/zinc/31/68/41/785316841.db2.gz JSEFNMOCNSSVNW-LLVKDONJSA-N 1 0 336.396 -1.076 20 0 EAADRO COCCNCc1cn(C2CN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 ZINC001105256578 785317292 /nfs/dbraw/zinc/31/72/92/785317292.db2.gz JSEFNMOCNSSVNW-NSHDSACASA-N 1 0 336.396 -1.076 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 ZINC001105256612 785316810 /nfs/dbraw/zinc/31/68/10/785316810.db2.gz KNAJKYDTNJQZMI-JTQLQIEISA-N 1 0 349.395 -1.977 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C[C@H]3CCNC3=O)C2)nn1 ZINC001105256613 785316462 /nfs/dbraw/zinc/31/64/62/785316462.db2.gz KNAJKYDTNJQZMI-SNVBAGLBSA-N 1 0 349.395 -1.977 20 0 EAADRO O=C(C[C@H]1CCNC1=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105256786 785319283 /nfs/dbraw/zinc/31/92/83/785319283.db2.gz SFCANBPGXRITET-LLVKDONJSA-N 1 0 336.396 -1.340 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105256787 785318102 /nfs/dbraw/zinc/31/81/02/785318102.db2.gz SFCANBPGXRITET-NSHDSACASA-N 1 0 336.396 -1.340 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259474 785318952 /nfs/dbraw/zinc/31/89/52/785318952.db2.gz AAYLLZYMKDURGW-HNNXBMFYSA-N 1 0 349.439 -1.163 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259475 785319714 /nfs/dbraw/zinc/31/97/14/785319714.db2.gz AAYLLZYMKDURGW-OAHLLOKOSA-N 1 0 349.439 -1.163 20 0 EAADRO C[NH+](C)C1(C(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)CCC1 ZINC001105259574 785318979 /nfs/dbraw/zinc/31/89/79/785318979.db2.gz FBQNIYCFYKWDNU-UHFFFAOYSA-N 1 0 335.412 -1.279 20 0 EAADRO C[NH+](C)[C@H](C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1)C1CC1 ZINC001105259715 785318445 /nfs/dbraw/zinc/31/84/45/785318445.db2.gz JGBNZZBULQDFNP-AWEZNQCLSA-N 1 0 335.412 -1.424 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1)C1CC1 ZINC001105259716 785318391 /nfs/dbraw/zinc/31/83/91/785318391.db2.gz JGBNZZBULQDFNP-CQSZACIVSA-N 1 0 335.412 -1.424 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105260021 785318753 /nfs/dbraw/zinc/31/87/53/785318753.db2.gz XLCIOROPXXDNCS-UHFFFAOYSA-N 1 0 349.439 -1.019 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260034 785319783 /nfs/dbraw/zinc/31/97/83/785319783.db2.gz XZZRHAVGMRYJNG-HZMBPMFUSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260035 785319425 /nfs/dbraw/zinc/31/94/25/785319425.db2.gz XZZRHAVGMRYJNG-IINYFYTJSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260036 785319033 /nfs/dbraw/zinc/31/90/33/785319033.db2.gz XZZRHAVGMRYJNG-QMTHXVAHSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260037 785319819 /nfs/dbraw/zinc/31/98/19/785319819.db2.gz XZZRHAVGMRYJNG-YGRLFVJLSA-N 1 0 349.439 -1.035 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105260042 785319621 /nfs/dbraw/zinc/31/96/21/785319621.db2.gz YGBKRXWEUPGAOX-UHFFFAOYSA-N 1 0 349.439 -1.019 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 ZINC001105262087 785318798 /nfs/dbraw/zinc/31/87/98/785318798.db2.gz FSWNYOKNOPVBAM-MJVIPROJSA-N 1 0 339.396 -1.064 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 ZINC001105262088 785318562 /nfs/dbraw/zinc/31/85/62/785318562.db2.gz FSWNYOKNOPVBAM-SUNKGSAMSA-N 1 0 339.396 -1.064 20 0 EAADRO Cn1cnc(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)cc1=O ZINC001105262093 785319202 /nfs/dbraw/zinc/31/92/02/785319202.db2.gz GIVCJZMYAFNOIE-UHFFFAOYSA-N 1 0 347.379 -1.459 20 0 EAADRO CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001105262138 785319172 /nfs/dbraw/zinc/31/91/72/785319172.db2.gz IZGBBWHWSVMSAY-NSHDSACASA-N 1 0 335.368 -1.241 20 0 EAADRO C[N@H+](CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1)C1CCC1 ZINC001105262144 785318610 /nfs/dbraw/zinc/31/86/10/785318610.db2.gz JFWYQILFWBFNAX-UHFFFAOYSA-N 1 0 335.412 -1.279 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(=O)n(C)cn3)C2)nn1 ZINC001105262172 785319121 /nfs/dbraw/zinc/31/91/21/785319121.db2.gz LCHXTGLKOLMVCJ-JTQLQIEISA-N 1 0 347.379 -1.461 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(=O)n(C)cn3)C2)nn1 ZINC001105262173 785319337 /nfs/dbraw/zinc/31/93/37/785319337.db2.gz LCHXTGLKOLMVCJ-SNVBAGLBSA-N 1 0 347.379 -1.461 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105262284 785319360 /nfs/dbraw/zinc/31/93/60/785319360.db2.gz SNSUYPBXEQRZMT-FZMZJTMJSA-N 1 0 339.396 -1.063 20 0 EAADRO CC(C)[C@@H](C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1)[NH+](C)C ZINC001105264217 785321104 /nfs/dbraw/zinc/32/11/04/785321104.db2.gz ATOVVCRTWUTNFE-AWEZNQCLSA-N 1 0 337.428 -1.178 20 0 EAADRO O=C([C@@H]1CCCNC1=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105264382 785321226 /nfs/dbraw/zinc/32/12/26/785321226.db2.gz HBHPZZKOADXNNT-CYBMUJFWSA-N 1 0 336.396 -1.340 20 0 EAADRO O=C([C@H]1CCCNC1=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105264383 785321862 /nfs/dbraw/zinc/32/18/62/785321862.db2.gz HBHPZZKOADXNNT-ZDUSSCGKSA-N 1 0 336.396 -1.340 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCNC3=O)C2)nn1 ZINC001105264399 785320170 /nfs/dbraw/zinc/32/01/70/785320170.db2.gz HOKIVZFKPAIXQZ-GWCFXTLKSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCNC3=O)C2)nn1 ZINC001105264400 785321124 /nfs/dbraw/zinc/32/11/24/785321124.db2.gz HOKIVZFKPAIXQZ-GXFFZTMASA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCNC3=O)C2)nn1 ZINC001105264401 785320858 /nfs/dbraw/zinc/32/08/58/785320858.db2.gz HOKIVZFKPAIXQZ-MFKMUULPSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCNC3=O)C2)nn1 ZINC001105264402 785321313 /nfs/dbraw/zinc/32/13/13/785321313.db2.gz HOKIVZFKPAIXQZ-ZWNOBZJWSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]c(=O)c3)C2)nn1 ZINC001105264415 785321568 /nfs/dbraw/zinc/32/15/68/785321568.db2.gz HZNOQQTVHQMGQP-SECBINFHSA-N 1 0 333.352 -1.059 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]c(=O)c3)C2)nn1 ZINC001105264416 785321186 /nfs/dbraw/zinc/32/11/86/785321186.db2.gz HZNOQQTVHQMGQP-VIFPVBQESA-N 1 0 333.352 -1.059 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105264454 785320282 /nfs/dbraw/zinc/32/02/82/785320282.db2.gz JKIXOJXFYUHZPB-UHFFFAOYSA-N 1 0 333.352 -1.057 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105265616 785320185 /nfs/dbraw/zinc/32/01/85/785320185.db2.gz DQDSHIGCZZGHGU-UHFFFAOYSA-N 1 0 333.352 -1.057 20 0 EAADRO O=C([C@H]1CCCC(=O)N1)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105265630 785321039 /nfs/dbraw/zinc/32/10/39/785321039.db2.gz FTMZZTUSKWYWAV-CYBMUJFWSA-N 1 0 336.396 -1.198 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC(=O)N3)C2)nn1 ZINC001105265954 785320738 /nfs/dbraw/zinc/32/07/38/785320738.db2.gz KROOVNNWWCBTQR-GXFFZTMASA-N 1 0 336.396 -1.200 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC(=O)N3)C2)nn1 ZINC001105265955 785320411 /nfs/dbraw/zinc/32/04/11/785320411.db2.gz KROOVNNWWCBTQR-ZWNOBZJWSA-N 1 0 336.396 -1.200 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnc[nH]c3=O)C2)nn1 ZINC001105266400 785321417 /nfs/dbraw/zinc/32/14/17/785321417.db2.gz VZVHCIJAKJDLIJ-SECBINFHSA-N 1 0 333.352 -1.059 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnc[nH]c3=O)C2)nn1 ZINC001105266401 785320432 /nfs/dbraw/zinc/32/04/32/785320432.db2.gz VZVHCIJAKJDLIJ-VIFPVBQESA-N 1 0 333.352 -1.059 20 0 EAADRO CC[C@H](C(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1)[NH+](C)C ZINC001105268237 785320931 /nfs/dbraw/zinc/32/09/31/785320931.db2.gz GICSDTLFVLWVME-GXFFZTMASA-N 1 0 337.428 -1.035 20 0 EAADRO CC[C@H](C(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1)[NH+](C)C ZINC001105268238 785321399 /nfs/dbraw/zinc/32/13/99/785321399.db2.gz GICSDTLFVLWVME-ZWNOBZJWSA-N 1 0 337.428 -1.035 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105268267 785321894 /nfs/dbraw/zinc/32/18/94/785321894.db2.gz HLNLEXIVDWYFLB-CYBMUJFWSA-N 1 0 335.412 -1.279 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105268268 785320899 /nfs/dbraw/zinc/32/08/99/785320899.db2.gz HLNLEXIVDWYFLB-ZDUSSCGKSA-N 1 0 335.412 -1.279 20 0 EAADRO CC[C@H](C(=O)N1CC(n2cc(CNCC(=O)NC)nn2)C1)[NH+](C)C ZINC001105268341 785320027 /nfs/dbraw/zinc/32/00/27/785320027.db2.gz KJKGEVCDTVYNGK-CYBMUJFWSA-N 1 0 337.428 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EAADRO O=C([C@H]1CCC(=O)NC1)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105275553 785325287 /nfs/dbraw/zinc/32/52/87/785325287.db2.gz UMANPZBWTKNATH-NSHDSACASA-N 1 0 336.396 -1.340 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C(=O)NCC(F)F)C2)nn1 ZINC001105275710 785323444 /nfs/dbraw/zinc/32/34/44/785323444.db2.gz YYRQJAUNCCRMCX-MRVPVSSYSA-N 1 0 346.338 -1.487 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C(=O)NCC(F)F)C2)nn1 ZINC001105275711 785322516 /nfs/dbraw/zinc/32/25/16/785322516.db2.gz YYRQJAUNCCRMCX-QMMMGPOBSA-N 1 0 346.338 -1.487 20 0 EAADRO NC(=O)CNCc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276621 785324212 /nfs/dbraw/zinc/32/42/12/785324212.db2.gz MRNPRYAVFPBVPO-UHFFFAOYSA-N 1 0 347.423 -1.135 20 0 EAADRO Cn1cc(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)ncc1=O ZINC001105288534 785326956 /nfs/dbraw/zinc/32/69/56/785326956.db2.gz QRQXPWPUBPWISV-UHFFFAOYSA-N 1 0 347.379 -1.459 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)cn3)C2)nn1 ZINC001105288847 785327807 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EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)nn1 ZINC001105289506 785329034 /nfs/dbraw/zinc/32/90/34/785329034.db2.gz FSJHARUYTGLOCY-MEBBXXQBSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)nn1 ZINC001105289508 785329968 /nfs/dbraw/zinc/32/99/68/785329968.db2.gz FSJHARUYTGLOCY-ZUZCIYMTSA-N 1 0 336.396 -1.342 20 0 EAADRO CCn1cc(CC(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)nn1 ZINC001105290202 785327015 /nfs/dbraw/zinc/32/70/15/785327015.db2.gz NWHHLQONRSRGHA-UHFFFAOYSA-N 1 0 348.411 -1.013 20 0 EAADRO CCn1cc(CC(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)O)nn3)C2)nn1 ZINC001105290256 785327157 /nfs/dbraw/zinc/32/71/57/785327157.db2.gz PEDOWPHYALMIEZ-LLVKDONJSA-N 1 0 348.411 -1.014 20 0 EAADRO CCn1cc(CC(=O)N2CC(n3cc(C[NH2+]C[C@H](C)O)nn3)C2)nn1 ZINC001105290257 785326738 /nfs/dbraw/zinc/32/67/38/785326738.db2.gz PEDOWPHYALMIEZ-NSHDSACASA-N 1 0 348.411 -1.014 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CNS(=O)(=O)NC)C2)nn1 ZINC001105290623 785327607 /nfs/dbraw/zinc/32/76/07/785327607.db2.gz VFTCUHOIXZNKOA-UHFFFAOYSA-N 1 0 331.402 -2.175 20 0 EAADRO C[C@@]1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CNC(=O)C1 ZINC001105290639 785327589 /nfs/dbraw/zinc/32/75/89/785327589.db2.gz VSFZBIKQHHKKNH-HNNXBMFYSA-N 1 0 336.396 -1.340 20 0 EAADRO C[C@]1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CNC(=O)C1 ZINC001105290640 785327844 /nfs/dbraw/zinc/32/78/44/785327844.db2.gz VSFZBIKQHHKKNH-OAHLLOKOSA-N 1 0 336.396 -1.340 20 0 EAADRO CN1C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)NC1=O ZINC001105297387 785331325 /nfs/dbraw/zinc/33/13/25/785331325.db2.gz NBSGXLAXNVYRDI-GFCCVEGCSA-N 1 0 337.384 -1.843 20 0 EAADRO CN1C[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)NC1=O ZINC001105297410 785331468 /nfs/dbraw/zinc/33/14/68/785331468.db2.gz NBSGXLAXNVYRDI-LBPRGKRZSA-N 1 0 337.384 -1.843 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105297513 785330213 /nfs/dbraw/zinc/33/02/13/785330213.db2.gz PCYOZWSXXSORQF-UHFFFAOYSA-N 1 0 335.368 -1.114 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(=O)n3C)C2)nn1 ZINC001105297712 785331106 /nfs/dbraw/zinc/33/11/06/785331106.db2.gz UBLIVBFQGOZAHO-SECBINFHSA-N 1 0 335.368 -1.115 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(=O)n3C)C2)nn1 ZINC001105297713 785330623 /nfs/dbraw/zinc/33/06/23/785330623.db2.gz UBLIVBFQGOZAHO-VIFPVBQESA-N 1 0 335.368 -1.115 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001105297825 785331792 /nfs/dbraw/zinc/33/17/92/785331792.db2.gz WGTAVKWQXWFAED-BXKDBHETSA-N 1 0 337.384 -1.845 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001105297833 785331848 /nfs/dbraw/zinc/33/18/48/785331848.db2.gz WGTAVKWQXWFAED-CABZTGNLSA-N 1 0 337.384 -1.845 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001105297835 785331921 /nfs/dbraw/zinc/33/19/21/785331921.db2.gz WGTAVKWQXWFAED-JOYOIKCWSA-N 1 0 337.384 -1.845 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001105297837 785331114 /nfs/dbraw/zinc/33/11/14/785331114.db2.gz WGTAVKWQXWFAED-SKDRFNHKSA-N 1 0 337.384 -1.845 20 0 EAADRO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001105297908 785331976 /nfs/dbraw/zinc/33/19/76/785331976.db2.gz XXLJKBQDXTYBSS-CYBMUJFWSA-N 1 0 336.396 -1.076 20 0 EAADRO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001105297909 785331740 /nfs/dbraw/zinc/33/17/40/785331740.db2.gz XXLJKBQDXTYBSS-ZDUSSCGKSA-N 1 0 336.396 -1.076 20 0 EAADRO CCCC[NH2+]Cc1cn(C2CN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001105299168 785330182 /nfs/dbraw/zinc/33/01/82/785330182.db2.gz IPPYNTKWNCQCPU-UHFFFAOYSA-N 1 0 349.439 -1.017 20 0 EAADRO CC(C)C[NH2+]Cc1cn(C2CN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001105299207 785331285 /nfs/dbraw/zinc/33/12/85/785331285.db2.gz LFYRHNHEMGFTGA-UHFFFAOYSA-N 1 0 349.439 -1.161 20 0 EAADRO CCC[NH2+]Cc1cn(C2CN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001105299224 785331543 /nfs/dbraw/zinc/33/15/43/785331543.db2.gz LXAMSLUZBROVBQ-UHFFFAOYSA-N 1 0 335.412 -1.407 20 0 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C[NH+](C)CCCC(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001105315224 785337506 /nfs/dbraw/zinc/33/75/06/785337506.db2.gz CFQVJRGJVQTRGQ-AWEZNQCLSA-N 1 0 349.439 -1.019 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001105315225 785336737 /nfs/dbraw/zinc/33/67/37/785336737.db2.gz CFQVJRGJVQTRGQ-CQSZACIVSA-N 1 0 349.439 -1.019 20 0 EAADRO Cn1cc(CC[NH2+]Cc2cn(C3CN(C(=O)C(N)=O)C3)nn2)cn1 ZINC001105315328 785336832 /nfs/dbraw/zinc/33/68/32/785336832.db2.gz HXENJRIMMBHZSG-UHFFFAOYSA-N 1 0 332.368 -1.788 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315426 785334693 /nfs/dbraw/zinc/33/46/93/785334693.db2.gz NCIQXEOGOGPNRH-UHFFFAOYSA-N 1 0 337.428 -1.161 20 0 EAADRO NC(=O)C(=O)N1CC(n2cc(C[NH2+]CCc3ccns3)nn2)C1 ZINC001105315488 785337527 /nfs/dbraw/zinc/33/75/27/785337527.db2.gz PWLVXEJAXBQPCQ-UHFFFAOYSA-N 1 0 335.393 -1.065 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1)C(N)=O ZINC001105315535 785336843 /nfs/dbraw/zinc/33/68/43/785336843.db2.gz 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CN1CC[C@H](NCc2cn(C3CN(C(=O)CC[NH+](C)C)C3)nn2)C1=O ZINC001105320619 785339334 /nfs/dbraw/zinc/33/93/34/785339334.db2.gz DBXUVVOEJPENRQ-AWEZNQCLSA-N 1 0 349.439 -1.067 20 0 EAADRO CN1CC[C@@H](NCc2cn(C3CN(C(=O)CC[NH+](C)C)C3)nn2)C1=O ZINC001105320620 785339002 /nfs/dbraw/zinc/33/90/02/785339002.db2.gz DBXUVVOEJPENRQ-CQSZACIVSA-N 1 0 349.439 -1.067 20 0 EAADRO COC[C@@H](O)CNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320844 785339484 /nfs/dbraw/zinc/33/94/84/785339484.db2.gz MGBZXYIUDVRNLX-AWEZNQCLSA-N 1 0 340.428 -1.290 20 0 EAADRO COC[C@H](O)CNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320845 785339613 /nfs/dbraw/zinc/33/96/13/785339613.db2.gz MGBZXYIUDVRNLX-CQSZACIVSA-N 1 0 340.428 -1.290 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001105320871 785338091 /nfs/dbraw/zinc/33/80/91/785338091.db2.gz NGNXOBIHNAMCGL-CYBMUJFWSA-N 1 0 335.412 -1.409 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001105320872 785339570 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CC[C@H](NCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001105321170 785338283 /nfs/dbraw/zinc/33/82/83/785338283.db2.gz XOGHRRGDEDYGOM-ZDUSSCGKSA-N 1 0 337.428 -1.033 20 0 EAADRO CCNC(=O)CNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321172 785338903 /nfs/dbraw/zinc/33/89/03/785338903.db2.gz XRZKPLGFQHJTBB-UHFFFAOYSA-N 1 0 337.428 -1.161 20 0 EAADRO CNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321184 785338441 /nfs/dbraw/zinc/33/84/41/785338441.db2.gz XZUSXVMGNZIRCC-LLVKDONJSA-N 1 0 337.428 -1.163 20 0 EAADRO CNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321185 785338704 /nfs/dbraw/zinc/33/87/04/785338704.db2.gz XZUSXVMGNZIRCC-NSHDSACASA-N 1 0 337.428 -1.163 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)nn1 ZINC001105322351 785338493 /nfs/dbraw/zinc/33/84/93/785338493.db2.gz LQBAYMUXVPNUHA-BMIGLBTASA-N 1 0 336.396 -1.200 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)nn1 ZINC001105322352 785338209 /nfs/dbraw/zinc/33/82/09/785338209.db2.gz LQBAYMUXVPNUHA-BONVTDFDSA-N 1 0 336.396 -1.200 20 0 EAADRO C[C@@]1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CCC(=O)N1 ZINC001105322598 785339245 /nfs/dbraw/zinc/33/92/45/785339245.db2.gz WWMNMOKIJQTBOB-HNNXBMFYSA-N 1 0 336.396 -1.198 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105323779 785338309 /nfs/dbraw/zinc/33/83/09/785338309.db2.gz IHPBOHJUYHIKIW-GWCFXTLKSA-N 1 0 327.385 -1.207 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105323781 785339496 /nfs/dbraw/zinc/33/94/96/785339496.db2.gz IHPBOHJUYHIKIW-GXFFZTMASA-N 1 0 327.385 -1.207 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105323783 785339319 /nfs/dbraw/zinc/33/93/19/785339319.db2.gz IHPBOHJUYHIKIW-MFKMUULPSA-N 1 0 327.385 -1.207 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105323785 785339280 /nfs/dbraw/zinc/33/92/80/785339280.db2.gz IHPBOHJUYHIKIW-ZWNOBZJWSA-N 1 0 327.385 -1.207 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105323822 785339350 /nfs/dbraw/zinc/33/93/50/785339350.db2.gz IQZBEJIXFRXRMC-CYBMUJFWSA-N 1 0 327.385 -1.205 20 0 EAADRO COC[C@H](OC)C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105323824 785339013 /nfs/dbraw/zinc/33/90/13/785339013.db2.gz IQZBEJIXFRXRMC-ZDUSSCGKSA-N 1 0 327.385 -1.205 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCNC3=O)C2)nn1 ZINC001105324953 785341284 /nfs/dbraw/zinc/34/12/84/785341284.db2.gz AKFKOCYPJFHLLF-BMIGLBTASA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCNC3=O)C2)nn1 ZINC001105324955 785341932 /nfs/dbraw/zinc/34/19/32/785341932.db2.gz AKFKOCYPJFHLLF-BONVTDFDSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCNC3=O)C2)nn1 ZINC001105324957 785340863 /nfs/dbraw/zinc/34/08/63/785340863.db2.gz AKFKOCYPJFHLLF-MEBBXXQBSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCNC3=O)C2)nn1 ZINC001105324959 785340067 /nfs/dbraw/zinc/34/00/67/785340067.db2.gz AKFKOCYPJFHLLF-ZUZCIYMTSA-N 1 0 336.396 -1.342 20 0 EAADRO C[C@]1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CCNC1=O ZINC001105325379 785341774 /nfs/dbraw/zinc/34/17/74/785341774.db2.gz OPVGXDJKQDKJSN-HNNXBMFYSA-N 1 0 336.396 -1.340 20 0 EAADRO C[C@@]1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CCNC1=O ZINC001105325380 785340670 /nfs/dbraw/zinc/34/06/70/785340670.db2.gz OPVGXDJKQDKJSN-OAHLLOKOSA-N 1 0 336.396 -1.340 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105326662 785341530 /nfs/dbraw/zinc/34/15/30/785341530.db2.gz AWTHLNNBRXANFP-LLVKDONJSA-N 1 0 335.412 -1.279 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105326663 785341665 /nfs/dbraw/zinc/34/16/65/785341665.db2.gz AWTHLNNBRXANFP-NSHDSACASA-N 1 0 335.412 -1.279 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001105326742 785341329 /nfs/dbraw/zinc/34/13/29/785341329.db2.gz DTDBORNHFIQRAI-LLVKDONJSA-N 1 0 335.412 -1.422 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001105326743 785340782 /nfs/dbraw/zinc/34/07/82/785340782.db2.gz DTDBORNHFIQRAI-NSHDSACASA-N 1 0 335.412 -1.422 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105326947 785340746 /nfs/dbraw/zinc/34/07/46/785340746.db2.gz MXKRMYWUMZSDSY-GWCFXTLKSA-N 1 0 335.412 -1.566 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105326948 785341101 /nfs/dbraw/zinc/34/11/01/785341101.db2.gz MXKRMYWUMZSDSY-GXFFZTMASA-N 1 0 335.412 -1.566 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105326949 785340911 /nfs/dbraw/zinc/34/09/11/785340911.db2.gz MXKRMYWUMZSDSY-MFKMUULPSA-N 1 0 335.412 -1.566 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105326950 785341016 /nfs/dbraw/zinc/34/10/16/785341016.db2.gz MXKRMYWUMZSDSY-ZWNOBZJWSA-N 1 0 335.412 -1.566 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327042 785341819 /nfs/dbraw/zinc/34/18/19/785341819.db2.gz PWBUMPDYSYHOTO-GFCCVEGCSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327043 785340011 /nfs/dbraw/zinc/34/00/11/785340011.db2.gz PWBUMPDYSYHOTO-LBPRGKRZSA-N 1 0 349.439 -1.019 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1)C(N)=O ZINC001105327071 785340635 /nfs/dbraw/zinc/34/06/35/785340635.db2.gz RHIWHQUURGNEAJ-NEPJUHHUSA-N 1 0 349.439 -1.033 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1)C(N)=O ZINC001105327072 785341494 /nfs/dbraw/zinc/34/14/94/785341494.db2.gz RHIWHQUURGNEAJ-NWDGAFQWSA-N 1 0 349.439 -1.033 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1)C(N)=O ZINC001105327073 785340448 /nfs/dbraw/zinc/34/04/48/785340448.db2.gz RHIWHQUURGNEAJ-RYUDHWBXSA-N 1 0 349.439 -1.033 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1)C(N)=O ZINC001105327074 785340550 /nfs/dbraw/zinc/34/05/50/785340550.db2.gz 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CC[NH+](CC)CC(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 ZINC001105344166 785375951 /nfs/dbraw/zinc/37/59/51/785375951.db2.gz QMFQVJIXZXGVBN-LLVKDONJSA-N 1 0 337.428 -1.033 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 ZINC001105344167 785375001 /nfs/dbraw/zinc/37/50/01/785375001.db2.gz QMFQVJIXZXGVBN-NSHDSACASA-N 1 0 337.428 -1.033 20 0 EAADRO CNC(=O)C1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CC1 ZINC001105344188 785375148 /nfs/dbraw/zinc/37/51/48/785375148.db2.gz RDOPZTKMPWKMRT-UHFFFAOYSA-N 1 0 336.396 -1.340 20 0 EAADRO CCC[NH2+]Cc1cn(C2CN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001105344358 785377228 /nfs/dbraw/zinc/37/72/28/785377228.db2.gz ZKWSAZWRVUWZRV-UHFFFAOYSA-N 1 0 335.368 -1.287 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(n2cc(CNCC(=O)NC)nn2)C1 ZINC001105347364 785384104 /nfs/dbraw/zinc/38/41/04/785384104.db2.gz BDTINPZQUQBNAE-UHFFFAOYSA-N 1 0 337.428 -1.161 20 0 EAADRO CC[NH+](CC)CC(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001105347458 785383402 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C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CCn3cnnn3)C2)nn1 ZINC001105348139 785384808 /nfs/dbraw/zinc/38/48/08/785384808.db2.gz WHIRFWQPPQPTKG-SNVBAGLBSA-N 1 0 335.372 -1.791 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(N)=O)c[nH]3)C2)nn1 ZINC001105349236 785386117 /nfs/dbraw/zinc/38/61/17/785386117.db2.gz FZZGEPIRRPJDQD-SECBINFHSA-N 1 0 347.379 -1.127 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(N)=O)c[nH]3)C2)nn1 ZINC001105349237 785386767 /nfs/dbraw/zinc/38/67/67/785386767.db2.gz FZZGEPIRRPJDQD-VIFPVBQESA-N 1 0 347.379 -1.127 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)c1 ZINC001105349256 785388658 /nfs/dbraw/zinc/38/86/58/785388658.db2.gz GPNPRVKOVKHICX-UHFFFAOYSA-N 1 0 347.379 -1.126 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)[C@@]3(C)CCOC3)C2)nn1 ZINC001105349708 785388445 /nfs/dbraw/zinc/38/84/45/785388445.db2.gz OPFZWIQARKAKLO-HNNXBMFYSA-N 1 0 336.396 -1.076 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)[C@]3(C)CCOC3)C2)nn1 ZINC001105349709 785387945 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O=C(CN1C(=O)CCC1=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105370963 785448865 /nfs/dbraw/zinc/44/88/65/785448865.db2.gz CMSBRMDQASCGKK-UHFFFAOYSA-N 1 0 336.352 -2.108 20 0 EAADRO CCNC(=O)CNCc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 ZINC001105370984 785449033 /nfs/dbraw/zinc/44/90/33/785449033.db2.gz DYQYAHOKXKDNSS-UHFFFAOYSA-N 1 0 347.383 -1.821 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)CCNC(N)=O)C2)nn1)C(N)=O ZINC001105370985 785449019 /nfs/dbraw/zinc/44/90/19/785449019.db2.gz DZRFUQXTOHUBQY-MRVPVSSYSA-N 1 0 338.372 -2.317 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)CCNC(N)=O)C2)nn1)C(N)=O ZINC001105370986 785450054 /nfs/dbraw/zinc/45/00/54/785450054.db2.gz DZRFUQXTOHUBQY-QMMMGPOBSA-N 1 0 338.372 -2.317 20 0 EAADRO Cc1n[nH]c(C)c1CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105370995 785448693 /nfs/dbraw/zinc/44/86/93/785448693.db2.gz FLTCFWJLUVPFDK-UHFFFAOYSA-N 1 0 346.395 -1.181 20 0 EAADRO CCOCCNCc1cn(C2CN(C(=O)CCNC(N)=O)C2)nn1 ZINC001105371009 785450179 /nfs/dbraw/zinc/45/01/79/785450179.db2.gz 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ZINC001105372479 785456749 /nfs/dbraw/zinc/45/67/49/785456749.db2.gz JJVFVPNJDZNSSL-NSHDSACASA-N 1 0 335.412 -1.279 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372510 785457453 /nfs/dbraw/zinc/45/74/53/785457453.db2.gz KQHXXQFFYNTMST-LLVKDONJSA-N 1 0 335.412 -1.551 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372511 785457307 /nfs/dbraw/zinc/45/73/07/785457307.db2.gz KQHXXQFFYNTMST-NSHDSACASA-N 1 0 335.412 -1.551 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372555 785456177 /nfs/dbraw/zinc/45/61/77/785456177.db2.gz MWICNKAXJXECRW-UHFFFAOYSA-N 1 0 335.412 -1.407 20 0 EAADRO CNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372683 785457378 /nfs/dbraw/zinc/45/73/78/785457378.db2.gz SGMZVYJBQCPKQP-GFCCVEGCSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372684 785457217 /nfs/dbraw/zinc/45/72/17/785457217.db2.gz SGMZVYJBQCPKQP-LBPRGKRZSA-N 1 0 349.439 -1.019 20 0 EAADRO CN(C)C(=O)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372744 785456313 /nfs/dbraw/zinc/45/63/13/785456313.db2.gz VTTFDQGUZRYQMM-GFCCVEGCSA-N 1 0 349.439 -1.209 20 0 EAADRO CN(C)C(=O)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372745 785456226 /nfs/dbraw/zinc/45/62/26/785456226.db2.gz VTTFDQGUZRYQMM-LBPRGKRZSA-N 1 0 349.439 -1.209 20 0 EAADRO CCNC(=O)CNCc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372782 785457060 /nfs/dbraw/zinc/45/70/60/785457060.db2.gz XELQAGQPVXNKFD-UHFFFAOYSA-N 1 0 349.439 -1.017 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372791 785457281 /nfs/dbraw/zinc/45/72/81/785457281.db2.gz XLBVLUJBYPEAHS-GHMZBOCLSA-N 1 0 335.412 -1.424 20 0 EAADRO C[C@@H](NCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372792 785457565 /nfs/dbraw/zinc/45/75/65/785457565.db2.gz XLBVLUJBYPEAHS-MNOVXSKESA-N 1 0 335.412 -1.424 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372793 785456665 /nfs/dbraw/zinc/45/66/65/785456665.db2.gz XLBVLUJBYPEAHS-QWRGUYRKSA-N 1 0 335.412 -1.424 20 0 EAADRO C[C@H](NCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372794 785456064 /nfs/dbraw/zinc/45/60/64/785456064.db2.gz XLBVLUJBYPEAHS-WDEREUQCSA-N 1 0 335.412 -1.424 20 0 EAADRO CNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372795 785457190 /nfs/dbraw/zinc/45/71/90/785457190.db2.gz XLZUBFBUJDBKTO-NEPJUHHUSA-N 1 0 349.439 -1.163 20 0 EAADRO CNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372796 785457536 /nfs/dbraw/zinc/45/75/36/785457536.db2.gz XLZUBFBUJDBKTO-NWDGAFQWSA-N 1 0 349.439 -1.163 20 0 EAADRO CNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372797 785457650 /nfs/dbraw/zinc/45/76/50/785457650.db2.gz XLZUBFBUJDBKTO-RYUDHWBXSA-N 1 0 349.439 -1.163 20 0 EAADRO CNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372798 785456610 /nfs/dbraw/zinc/45/66/10/785456610.db2.gz XLZUBFBUJDBKTO-VXGBXAGGSA-N 1 0 349.439 -1.163 20 0 EAADRO NC(=O)c1cc(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)c[nH]1 ZINC001105374014 785456952 /nfs/dbraw/zinc/45/69/52/785456952.db2.gz AZBFXKNVSQCMLL-UHFFFAOYSA-N 1 0 347.379 -1.126 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105374046 785457353 /nfs/dbraw/zinc/45/73/53/785457353.db2.gz DUCMUQBWHLIJBZ-UHFFFAOYSA-N 1 0 346.413 -2.317 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]CC(C)C)nn2)C1 ZINC001105374065 785456002 /nfs/dbraw/zinc/45/60/02/785456002.db2.gz FQYTZYVKXRTYEM-UHFFFAOYSA-N 1 0 344.441 -1.044 20 0 EAADRO CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001105374111 785456421 /nfs/dbraw/zinc/45/64/21/785456421.db2.gz INKOXYVZVKDFFZ-GFCCVEGCSA-N 1 0 342.425 -1.147 20 0 EAADRO CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001105374112 785457246 /nfs/dbraw/zinc/45/72/46/785457246.db2.gz INKOXYVZVKDFFZ-LBPRGKRZSA-N 1 0 342.425 -1.147 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]C(C)C)nn2)C1 ZINC001105374152 785458939 /nfs/dbraw/zinc/45/89/39/785458939.db2.gz LDQWVASMDFLNIJ-UHFFFAOYSA-N 1 0 330.414 -1.291 20 0 EAADRO CCC[NH2+]Cc1cn(C2CN(C(=O)CS(=O)(=O)NC)C2)nn1 ZINC001105374223 785459210 /nfs/dbraw/zinc/45/92/10/785459210.db2.gz PITXBAZMRHFJJI-UHFFFAOYSA-N 1 0 330.414 -1.290 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105374263 785459169 /nfs/dbraw/zinc/45/91/69/785459169.db2.gz RTNVTTGCYFPZPP-SECBINFHSA-N 1 0 346.413 -2.319 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105374264 785458955 /nfs/dbraw/zinc/45/89/55/785458955.db2.gz RTNVTTGCYFPZPP-VIFPVBQESA-N 1 0 346.413 -2.319 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]CCCF)nn2)C1 ZINC001105374309 785458347 /nfs/dbraw/zinc/45/83/47/785458347.db2.gz UNTJMVLHYODTAH-UHFFFAOYSA-N 1 0 348.404 -1.340 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C(N)=O)c3)C2)nn1 ZINC001105374356 785459128 /nfs/dbraw/zinc/45/91/28/785459128.db2.gz WJWQYXVKOBQVBA-SECBINFHSA-N 1 0 347.379 -1.127 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C(N)=O)c3)C2)nn1 ZINC001105374357 785458994 /nfs/dbraw/zinc/45/89/94/785458994.db2.gz WJWQYXVKOBQVBA-VIFPVBQESA-N 1 0 347.379 -1.127 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1 ZINC001105374367 785458434 /nfs/dbraw/zinc/45/84/34/785458434.db2.gz WWORSBGSUUIZJC-UHFFFAOYSA-N 1 0 342.425 -1.290 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105376872 785475081 /nfs/dbraw/zinc/47/50/81/785475081.db2.gz IEAHQAGKLVCVKU-UHFFFAOYSA-N 1 0 345.425 -1.432 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105376890 785474615 /nfs/dbraw/zinc/47/46/15/785474615.db2.gz JJJLIYIUTJTEND-JTQLQIEISA-N 1 0 345.425 -1.434 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105376891 785475395 /nfs/dbraw/zinc/47/53/95/785475395.db2.gz JJJLIYIUTJTEND-SNVBAGLBSA-N 1 0 345.425 -1.434 20 0 EAADRO CNC(=O)CNCc1cn(C2CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001105377066 785510105 /nfs/dbraw/zinc/51/01/05/785510105.db2.gz PLJMOPTXOKLWCQ-UHFFFAOYSA-N 1 0 337.428 -1.163 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 ZINC001105377117 785510599 /nfs/dbraw/zinc/51/05/99/785510599.db2.gz QWAYMNKBRDBSLJ-LLVKDONJSA-N 1 0 337.428 -1.035 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 ZINC001105377119 785511316 /nfs/dbraw/zinc/51/13/16/785511316.db2.gz QWAYMNKBRDBSLJ-NSHDSACASA-N 1 0 337.428 -1.035 20 0 EAADRO CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)Cn3cncn3)C2)nn1 ZINC001105377217 785511586 /nfs/dbraw/zinc/51/15/86/785511586.db2.gz VBNUHIVXYLYRBR-UHFFFAOYSA-N 1 0 347.383 -1.821 20 0 EAADRO CCC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001105377275 785511903 /nfs/dbraw/zinc/51/19/03/785511903.db2.gz XBALNVOCCKZEHY-UHFFFAOYSA-N 1 0 347.383 -1.448 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001105377349 785514580 /nfs/dbraw/zinc/51/45/80/785514580.db2.gz YPMZRTRJKGXMCZ-AWEZNQCLSA-N 1 0 349.439 -1.020 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 ZINC001105377351 785514450 /nfs/dbraw/zinc/51/44/50/785514450.db2.gz YPMZRTRJKGXMCZ-CQSZACIVSA-N 1 0 349.439 -1.020 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)n3C)C2)nn1 ZINC001105378385 785557351 /nfs/dbraw/zinc/55/73/51/785557351.db2.gz CLKSZWFSKNDNRQ-JTQLQIEISA-N 1 0 349.395 -1.517 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)n3C)C2)nn1 ZINC001105378386 785557074 /nfs/dbraw/zinc/55/70/74/785557074.db2.gz CLKSZWFSKNDNRQ-SNVBAGLBSA-N 1 0 349.395 -1.517 20 0 EAADRO Cn1cc(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)n(C)c1=O ZINC001105378632 785561098 /nfs/dbraw/zinc/56/10/98/785561098.db2.gz HOZUDCHQJYQITB-UHFFFAOYSA-N 1 0 349.395 -1.516 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cn(C)nn3)C2)nn1 ZINC001105382212 785604617 /nfs/dbraw/zinc/60/46/17/785604617.db2.gz BHMCYNYSRVXDLP-LLVKDONJSA-N 1 0 348.411 -1.107 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cn(C)nn3)C2)nn1 ZINC001105382213 785604273 /nfs/dbraw/zinc/60/42/73/785604273.db2.gz BHMCYNYSRVXDLP-NSHDSACASA-N 1 0 348.411 -1.107 20 0 EAADRO Cn1cc(CCC(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)nn1 ZINC001105382615 785607741 /nfs/dbraw/zinc/60/77/41/785607741.db2.gz KMFJWHNACNEGTB-UHFFFAOYSA-N 1 0 348.411 -1.105 20 0 EAADRO NC(=O)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CNC(N)=O)C1 ZINC001105404696 785670411 /nfs/dbraw/zinc/67/04/11/785670411.db2.gz NBDHUDFFCXQUHM-DRQUAOQDSA-N 1 0 333.392 -1.054 20 0 EAADRO NC(=O)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001105404905 785670685 /nfs/dbraw/zinc/67/06/85/785670685.db2.gz ZCKYOTILJNKJIG-AKAXFMLLSA-N 1 0 343.391 -1.035 20 0 EAADRO NC(=O)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001105423306 785754088 /nfs/dbraw/zinc/75/40/88/785754088.db2.gz NDBNHBULVONZHS-AKAXFMLLSA-N 1 0 343.391 -1.035 20 0 EAADRO CN(CCN(C)c1ccc2nnnn2n1)C(=O)COCC[NH+](C)C ZINC001105430130 785763290 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ZINC001105479296 785808374 /nfs/dbraw/zinc/80/83/74/785808374.db2.gz YUCTVTRMIIRWIH-UHFFFAOYSA-N 1 0 341.368 -2.204 20 0 EAADRO NC(=O)C(=O)N1CCOC2(CCC([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001105479319 785807209 /nfs/dbraw/zinc/80/72/09/785807209.db2.gz ZORFPDKXFKYRNJ-UHFFFAOYSA-N 1 0 338.408 -1.120 20 0 EAADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)CCNC(N)=O)CCO2 ZINC001105487000 785810012 /nfs/dbraw/zinc/81/00/12/785810012.db2.gz JXRLBCXZLQRYIM-UHFFFAOYSA-N 1 0 341.412 -1.340 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001105487033 785809551 /nfs/dbraw/zinc/80/95/51/785809551.db2.gz MHGUQJUVTFXHDN-UHFFFAOYSA-N 1 0 349.453 -1.342 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C(N)=O)CCC1 ZINC001105559634 785810647 /nfs/dbraw/zinc/81/06/47/785810647.db2.gz UECAYLVWLWXXOL-JTQLQIEISA-N 1 0 339.396 -1.192 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1([C@H]2CCCCN2C(=O)C(N)=O)CCC1 ZINC001105559643 785810578 /nfs/dbraw/zinc/81/05/78/785810578.db2.gz UECAYLVWLWXXOL-SNVBAGLBSA-N 1 0 339.396 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CC(C)[C@H]1N(C(=O)CNC(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105594217 785811411 /nfs/dbraw/zinc/81/14/11/785811411.db2.gz NBALCMLWZYOOSU-NLRBGTRBSA-N 1 0 328.413 -1.387 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CNC(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105594218 785811210 /nfs/dbraw/zinc/81/12/10/785811210.db2.gz NBALCMLWZYOOSU-UQFNBPPOSA-N 1 0 328.413 -1.387 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CNC(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105594219 785810590 /nfs/dbraw/zinc/81/05/90/785810590.db2.gz NBALCMLWZYOOSU-ZSEWYUTFSA-N 1 0 328.413 -1.387 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CNC(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105594228 785811449 /nfs/dbraw/zinc/81/14/49/785811449.db2.gz NFNZURBNTXWPSK-FRWLMAKKSA-N 1 0 341.412 -1.894 20 0 EAADRO CC(C)[C@H]1N(C(=O)CNC(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105594229 785810852 /nfs/dbraw/zinc/81/08/52/785810852.db2.gz NFNZURBNTXWPSK-HMYIPDOQSA-N 1 0 341.412 -1.894 20 0 EAADRO CC(C)[C@@H]1N(C(=O)CNC(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105594230 785810924 /nfs/dbraw/zinc/81/09/24/785810924.db2.gz NFNZURBNTXWPSK-NRWDQBFYSA-N 1 0 341.412 -1.894 20 0 EAADRO CC(C)[C@H]1N(C(=O)CNC(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105594231 785811071 /nfs/dbraw/zinc/81/10/71/785811071.db2.gz NFNZURBNTXWPSK-VWFAINMRSA-N 1 0 341.412 -1.894 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O ZINC001105611633 785816194 /nfs/dbraw/zinc/81/61/94/785816194.db2.gz UNNLCPLXRFEYSE-HOJOPBEUSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@H]2C(C)C)C[C@H]1O ZINC001105611634 785816632 /nfs/dbraw/zinc/81/66/32/785816632.db2.gz UNNLCPLXRFEYSE-NSLUBLRVSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O ZINC001105611635 785815741 /nfs/dbraw/zinc/81/57/41/785815741.db2.gz UNNLCPLXRFEYSE-WVATUKLVSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC(N)=O)[C@H]2C(C)C)C[C@H]1O ZINC001105611636 785815760 /nfs/dbraw/zinc/81/57/60/785815760.db2.gz UNNLCPLXRFEYSE-XYPYXGAPSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105623495 785818003 /nfs/dbraw/zinc/81/80/03/785818003.db2.gz QNRTVPRUBXMYIN-HOJOPBEUSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105623498 785818438 /nfs/dbraw/zinc/81/84/38/785818438.db2.gz QNRTVPRUBXMYIN-NSLUBLRVSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105623501 785817707 /nfs/dbraw/zinc/81/77/07/785817707.db2.gz QNRTVPRUBXMYIN-WVATUKLVSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105623503 785817967 /nfs/dbraw/zinc/81/79/67/785817967.db2.gz QNRTVPRUBXMYIN-XYPYXGAPSA-N 1 0 340.424 -1.426 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105637182 785817025 /nfs/dbraw/zinc/81/70/25/785817025.db2.gz LASZDWZSWFCTLI-HLSYRSCKSA-N 1 0 342.440 -1.126 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105637183 785818507 /nfs/dbraw/zinc/81/85/07/785818507.db2.gz LASZDWZSWFCTLI-NCZKRNLISA-N 1 0 342.440 -1.126 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105637184 785817854 /nfs/dbraw/zinc/81/78/54/785817854.db2.gz LASZDWZSWFCTLI-UNIGVISCSA-N 1 0 342.440 -1.126 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105637185 785817984 /nfs/dbraw/zinc/81/79/84/785817984.db2.gz LASZDWZSWFCTLI-ZNEHSRBWSA-N 1 0 342.440 -1.126 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C(N)=O)[C@H]2C(C)C)C[C@H]1O ZINC001105652167 785819331 /nfs/dbraw/zinc/81/93/31/785819331.db2.gz KWYLYWAQGMQFDZ-DSKWVYQCSA-N 1 0 326.397 -1.816 20 0 EAADRO 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CC(C)[C@@H]1N(C(=O)C(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCOCCO)C2 ZINC001105652401 785819936 /nfs/dbraw/zinc/81/99/36/785819936.db2.gz LZFSQAZJIUGFIC-NFFDBFGFSA-N 1 0 343.424 -1.553 20 0 EAADRO CC(C)[C@@H]1N(C(=O)C(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2 ZINC001105652919 785818888 /nfs/dbraw/zinc/81/88/88/785818888.db2.gz QMHRCCTZNZBBCF-BQNAKDMGSA-N 1 0 340.424 -1.474 20 0 EAADRO CC(C)[C@H]1N(C(=O)C(N)=O)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2 ZINC001105652921 785819357 /nfs/dbraw/zinc/81/93/57/785819357.db2.gz QMHRCCTZNZBBCF-MSIPSHCFSA-N 1 0 340.424 -1.474 20 0 EAADRO CC(C)[C@H]1N(C(=O)C(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2 ZINC001105652923 785819173 /nfs/dbraw/zinc/81/91/73/785819173.db2.gz QMHRCCTZNZBBCF-QQHRNGFRSA-N 1 0 340.424 -1.474 20 0 EAADRO CC(C)[C@@H]1N(C(=O)C(N)=O)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(=O)N(C)C)C2 ZINC001105652926 785819226 /nfs/dbraw/zinc/81/92/26/785819226.db2.gz QMHRCCTZNZBBCF-RLSLPTNOSA-N 1 0 340.424 -1.474 20 0 EAADRO 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IJCQBCYQXNRHHQ-JFGNBEQYSA-N 1 0 341.412 -1.349 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001105768766 785857990 /nfs/dbraw/zinc/85/79/90/785857990.db2.gz ZFSVTWAPHRNFFB-FXPVBKGRSA-N 1 0 327.385 -1.610 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001105768767 785859059 /nfs/dbraw/zinc/85/90/59/785859059.db2.gz ZFSVTWAPHRNFFB-WCABBAIRSA-N 1 0 327.385 -1.610 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001105773850 785860051 /nfs/dbraw/zinc/86/00/51/785860051.db2.gz AYKHXNHVGWIGKF-TZMCWYRMSA-N 1 0 342.440 -1.041 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001105773913 785860142 /nfs/dbraw/zinc/86/01/42/785860142.db2.gz CFXMVAPGMKSPED-TZMCWYRMSA-N 1 0 340.424 -1.335 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001105774106 785859733 /nfs/dbraw/zinc/85/97/33/785859733.db2.gz HOIHNBPHPOSVKC-IUODEOHRSA-N 1 0 342.440 -1.041 20 0 EAADRO 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326.353 -1.246 20 0 EAADRO CCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC001105789268 785863929 /nfs/dbraw/zinc/86/39/29/785863929.db2.gz RDXRZMGEUMWRLG-CHWSQXEVSA-N 1 0 340.424 -1.335 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105790195 785862964 /nfs/dbraw/zinc/86/29/64/785862964.db2.gz JGGREGPKXRASKR-RKDXNWHRSA-N 1 0 336.352 -1.325 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001105793034 785864632 /nfs/dbraw/zinc/86/46/32/785864632.db2.gz BJJLNWHQYFNQGS-CKYFFXLPSA-N 1 0 338.412 -1.183 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001105793038 785864506 /nfs/dbraw/zinc/86/45/06/785864506.db2.gz BJJLNWHQYFNQGS-JFGNBEQYSA-N 1 0 338.412 -1.183 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001105793137 785864778 /nfs/dbraw/zinc/86/47/78/785864778.db2.gz COJMXCJDYXGCSJ-FXPVBKGRSA-N 1 0 327.385 -1.610 20 0 EAADRO 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C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105843581 785880086 /nfs/dbraw/zinc/88/00/86/785880086.db2.gz GUGMSIFRZMHNIM-GMTAPVOTSA-N 1 0 328.369 -1.719 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105843582 785879961 /nfs/dbraw/zinc/87/99/61/785879961.db2.gz GUGMSIFRZMHNIM-MXWKQRLJSA-N 1 0 328.369 -1.719 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105844242 785879300 /nfs/dbraw/zinc/87/93/00/785879300.db2.gz WYLUVORVXDZPDA-JHJVBQTASA-N 1 0 349.453 -1.365 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105844243 785879498 /nfs/dbraw/zinc/87/94/98/785879498.db2.gz WYLUVORVXDZPDA-UPJWGTAASA-N 1 0 349.453 -1.365 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C ZINC001105844262 785879412 /nfs/dbraw/zinc/87/94/12/785879412.db2.gz XIJSLHIRGREYSY-IJLUTSLNSA-N 1 0 342.396 -1.459 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C ZINC001105844263 785879249 /nfs/dbraw/zinc/87/92/49/785879249.db2.gz XIJSLHIRGREYSY-UTUOFQBUSA-N 1 0 342.396 -1.459 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001105845840 785880842 /nfs/dbraw/zinc/88/08/42/785880842.db2.gz YCDJGJZCYTYRGU-VXGBXAGGSA-N 1 0 348.407 -1.334 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001105849285 785880927 /nfs/dbraw/zinc/88/09/27/785880927.db2.gz NEORYCFHTOILKA-CKYFFXLPSA-N 1 0 341.412 -1.268 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001105849286 785881765 /nfs/dbraw/zinc/88/17/65/785881765.db2.gz NEORYCFHTOILKA-JFGNBEQYSA-N 1 0 341.412 -1.268 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001105849318 785881730 /nfs/dbraw/zinc/88/17/30/785881730.db2.gz OISGWASQPVTXSH-MWLCHTKSSA-N 1 0 327.385 -1.656 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001105849541 785881251 /nfs/dbraw/zinc/88/12/51/785881251.db2.gz ZFBRWVASQBVVNV-DGCLKSJQSA-N 1 0 348.469 -1.302 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001105851178 785881492 /nfs/dbraw/zinc/88/14/92/785881492.db2.gz AKEKSBQDWVNOHI-RAIGVLPGSA-N 1 0 338.408 -1.046 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001105851179 785880763 /nfs/dbraw/zinc/88/07/63/785880763.db2.gz AKEKSBQDWVNOHI-RTXFEEFZSA-N 1 0 338.408 -1.046 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001105851195 785881170 /nfs/dbraw/zinc/88/11/70/785881170.db2.gz AYYXXGBSDNGBSA-ZYHUDNBSSA-N 1 0 341.412 -1.396 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001105851396 785881126 /nfs/dbraw/zinc/88/11/26/785881126.db2.gz FPOMCFJIJICWJH-ZYHUDNBSSA-N 1 0 338.412 -1.229 20 0 EAADRO COC(=O)c1nccc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001105853044 785882862 /nfs/dbraw/zinc/88/28/62/785882862.db2.gz FYRFFSLSOKUFHW-GHMZBOCLSA-N 1 0 337.380 -1.474 20 0 EAADRO COC(=O)c1nccc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001105853045 785882114 /nfs/dbraw/zinc/88/21/14/785882114.db2.gz FYRFFSLSOKUFHW-MNOVXSKESA-N 1 0 337.380 -1.474 20 0 EAADRO COC(=O)c1nccc(NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001105853046 785882970 /nfs/dbraw/zinc/88/29/70/785882970.db2.gz FYRFFSLSOKUFHW-QWRGUYRKSA-N 1 0 337.380 -1.474 20 0 EAADRO COC(=O)c1nccc(NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001105853047 785882689 /nfs/dbraw/zinc/88/26/89/785882689.db2.gz FYRFFSLSOKUFHW-WDEREUQCSA-N 1 0 337.380 -1.474 20 0 EAADRO Cn1ncc2c1nc(NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)[nH]c2=O ZINC001105853158 785882900 /nfs/dbraw/zinc/88/29/00/785882900.db2.gz IGPQQKYLCOQDOL-NXEZZACHSA-N 1 0 349.395 -1.090 20 0 EAADRO Cn1ncc2c1nc(NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)[nH]c2=O ZINC001105853159 785882674 /nfs/dbraw/zinc/88/26/74/785882674.db2.gz IGPQQKYLCOQDOL-UWVGGRQHSA-N 1 0 349.395 -1.090 20 0 EAADRO Cn1ncc2c1nc(NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)[nH]c2=O ZINC001105853160 785882819 /nfs/dbraw/zinc/88/28/19/785882819.db2.gz IGPQQKYLCOQDOL-VHSXEESVSA-N 1 0 349.395 -1.090 20 0 EAADRO Cn1ncc2c1nc(NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)[nH]c2=O ZINC001105853161 785882484 /nfs/dbraw/zinc/88/24/84/785882484.db2.gz IGPQQKYLCOQDOL-ZJUUUORDSA-N 1 0 349.395 -1.090 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001105853773 785882100 /nfs/dbraw/zinc/88/21/00/785882100.db2.gz QVQORYQEHVORAP-NXEZZACHSA-N 1 0 334.384 -1.401 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001105853774 785884171 /nfs/dbraw/zinc/88/41/71/785884171.db2.gz QVQORYQEHVORAP-UWVGGRQHSA-N 1 0 334.384 -1.401 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001105853775 785884011 /nfs/dbraw/zinc/88/40/11/785884011.db2.gz QVQORYQEHVORAP-VHSXEESVSA-N 1 0 334.384 -1.401 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001105853776 785883995 /nfs/dbraw/zinc/88/39/95/785883995.db2.gz QVQORYQEHVORAP-ZJUUUORDSA-N 1 0 334.384 -1.401 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001105854920 785884235 /nfs/dbraw/zinc/88/42/35/785884235.db2.gz BWAVMOHKORIAFF-JTQLQIEISA-N 1 0 334.384 -1.257 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001105854921 785884146 /nfs/dbraw/zinc/88/41/46/785884146.db2.gz BWAVMOHKORIAFF-SNVBAGLBSA-N 1 0 334.384 -1.257 20 0 EAADRO COC(=O)c1nccc(NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001105856727 785883268 /nfs/dbraw/zinc/88/32/68/785883268.db2.gz ZLNQZUZVITWIOE-LLVKDONJSA-N 1 0 337.380 -1.330 20 0 EAADRO COC(=O)c1nccc(NC[C@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001105856728 785884067 /nfs/dbraw/zinc/88/40/67/785884067.db2.gz ZLNQZUZVITWIOE-NSHDSACASA-N 1 0 337.380 -1.330 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001105860942 785885967 /nfs/dbraw/zinc/88/59/67/785885967.db2.gz PHXDWUIJVZOXOY-DGCLKSJQSA-N 1 0 348.407 -1.334 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001105867894 785890478 /nfs/dbraw/zinc/89/04/78/785890478.db2.gz UHBDEEQKHHWOQO-ZYHUDNBSSA-N 1 0 335.412 -1.080 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H](O)CNc1ccnc(C(=O)OC)n1 ZINC001105868617 785890535 /nfs/dbraw/zinc/89/05/35/785890535.db2.gz COAAMVLKNYPUPD-LLVKDONJSA-N 1 0 339.396 -1.084 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H](O)CNc1ccnc(C(=O)OC)n1 ZINC001105868619 785889763 /nfs/dbraw/zinc/88/97/63/785889763.db2.gz COAAMVLKNYPUPD-NSHDSACASA-N 1 0 339.396 -1.084 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105868846 785889804 /nfs/dbraw/zinc/88/98/04/785889804.db2.gz TYMJYRMOADZHIG-MWLCHTKSSA-N 1 0 339.396 -1.608 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H](O)CNc1ncnc2c1nnn2C ZINC001105868863 785890344 /nfs/dbraw/zinc/89/03/44/785890344.db2.gz HETSEKVXBLDJNG-JTQLQIEISA-N 1 0 336.400 -1.011 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H](O)CNc1ncnc2c1nnn2C ZINC001105868865 785889587 /nfs/dbraw/zinc/88/95/87/785889587.db2.gz HETSEKVXBLDJNG-SNVBAGLBSA-N 1 0 336.400 -1.011 20 0 EAADRO COC(=O)c1nccc(NC[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001105869348 785890679 /nfs/dbraw/zinc/89/06/79/785890679.db2.gz QAPTZEGWMHJQMV-LLVKDONJSA-N 1 0 339.396 -1.086 20 0 EAADRO COC(=O)c1nccc(NC[C@H](O)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001105869349 785890190 /nfs/dbraw/zinc/89/01/90/785890190.db2.gz QAPTZEGWMHJQMV-NSHDSACASA-N 1 0 339.396 -1.086 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H](O)CNc1ncnc2c1nnn2C ZINC001105869466 785890724 /nfs/dbraw/zinc/89/07/24/785890724.db2.gz SYTIJLVLJFSBKG-JTQLQIEISA-N 1 0 336.400 -1.013 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNc1ncnc2c1nnn2C ZINC001105869467 785890653 /nfs/dbraw/zinc/89/06/53/785890653.db2.gz SYTIJLVLJFSBKG-SNVBAGLBSA-N 1 0 336.400 -1.013 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001105874287 785890551 /nfs/dbraw/zinc/89/05/51/785890551.db2.gz BUGKWPJKUYLXAP-NXEZZACHSA-N 1 0 340.384 -1.352 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001105874336 785890584 /nfs/dbraw/zinc/89/05/84/785890584.db2.gz DQJWIHDPBGQKPJ-KXUCPTDWSA-N 1 0 343.384 -1.390 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001105874337 785890643 /nfs/dbraw/zinc/89/06/43/785890643.db2.gz DQJWIHDPBGQKPJ-OPRDCNLKSA-N 1 0 343.384 -1.390 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001105874689 785890271 /nfs/dbraw/zinc/89/02/71/785890271.db2.gz STZCFHAWGVQFPO-NXEZZACHSA-N 1 0 325.373 -1.250 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001105876706 785890987 /nfs/dbraw/zinc/89/09/87/785890987.db2.gz QOHVFACXIOVUNN-VXGBXAGGSA-N 1 0 349.391 -1.069 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001105878845 785891316 /nfs/dbraw/zinc/89/13/16/785891316.db2.gz CMFNSVXQNBGYTP-GMTAPVOTSA-N 1 0 340.380 -1.168 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001105878846 785891450 /nfs/dbraw/zinc/89/14/50/785891450.db2.gz CMFNSVXQNBGYTP-MXWKQRLJSA-N 1 0 340.380 -1.168 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001105880022 785891218 /nfs/dbraw/zinc/89/12/18/785891218.db2.gz TWURVJKKYNFDHU-NXEZZACHSA-N 1 0 343.384 -1.518 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001105880036 785891578 /nfs/dbraw/zinc/89/15/78/785891578.db2.gz UHXWGKMBSYWDRF-RKDXNWHRSA-N 1 0 329.357 -1.779 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H](O)CNc2nccn3nnnc23)CC1 ZINC001105881910 785892395 /nfs/dbraw/zinc/89/23/95/785892395.db2.gz BKEURCDLRPSLNT-LLVKDONJSA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H](O)CNc2nccn3nnnc23)CC1 ZINC001105881911 785892651 /nfs/dbraw/zinc/89/26/51/785892651.db2.gz BKEURCDLRPSLNT-NSHDSACASA-N 1 0 334.384 -1.250 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001105882390 785893299 /nfs/dbraw/zinc/89/32/99/785893299.db2.gz GCBLENQTAYRKMD-LLVKDONJSA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001105882391 785893072 /nfs/dbraw/zinc/89/30/72/785893072.db2.gz GCBLENQTAYRKMD-NSHDSACASA-N 1 0 348.411 -1.011 20 0 EAADRO CO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC001105882654 785893081 /nfs/dbraw/zinc/89/30/81/785893081.db2.gz GRMYUYFPBUVTOG-FRRDWIJNSA-N 1 0 340.424 -1.336 20 0 EAADRO CO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC001105882655 785893362 /nfs/dbraw/zinc/89/33/62/785893362.db2.gz GRMYUYFPBUVTOG-JHJVBQTASA-N 1 0 340.424 -1.336 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H](O)CNc2ccc3nnnn3n2)CC1 ZINC001105883448 785891378 /nfs/dbraw/zinc/89/13/78/785891378.db2.gz URWPXIYQZVHNIX-LLVKDONJSA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)CC1 ZINC001105883449 785891281 /nfs/dbraw/zinc/89/12/81/785891281.db2.gz URWPXIYQZVHNIX-NSHDSACASA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001105889065 785895027 /nfs/dbraw/zinc/89/50/27/785895027.db2.gz ISYBXAGJALWJSB-KXUCPTDWSA-N 1 0 348.425 -1.702 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001105889066 785895749 /nfs/dbraw/zinc/89/57/49/785895749.db2.gz ISYBXAGJALWJSB-OPRDCNLKSA-N 1 0 348.425 -1.702 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001105889546 785894775 /nfs/dbraw/zinc/89/47/75/785894775.db2.gz SGCUSETUDPFMNY-VXGBXAGGSA-N 1 0 346.453 -1.260 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105889956 785895703 /nfs/dbraw/zinc/89/57/03/785895703.db2.gz ZPEFTNUZYLJXKQ-RKDXNWHRSA-N 1 0 334.398 -2.090 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001105891039 785895559 /nfs/dbraw/zinc/89/55/59/785895559.db2.gz QXYKRNAYODMQIA-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001105895558 785896858 /nfs/dbraw/zinc/89/68/58/785896858.db2.gz AZOAAWPLEUHCHK-NXEZZACHSA-N 1 0 348.425 -1.829 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001105895699 785896984 /nfs/dbraw/zinc/89/69/84/785896984.db2.gz FYRDOCMSZSEXNH-GHMZBOCLSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001105895771 785896723 /nfs/dbraw/zinc/89/67/23/785896723.db2.gz HHALHCSLCLRZPU-GHMZBOCLSA-N 1 0 340.467 -1.240 20 0 EAADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001105895851 785896492 /nfs/dbraw/zinc/89/64/92/785896492.db2.gz JTSSLNQJKHVMSU-VXGBXAGGSA-N 1 0 331.438 -1.053 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](O)CNc1ncnc2nc[nH]c21 ZINC001105903548 785900042 /nfs/dbraw/zinc/90/00/42/785900042.db2.gz GYNKWEYWEMWMEO-JTQLQIEISA-N 1 0 337.384 -1.228 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](O)CNc1ncnc2nc[nH]c21 ZINC001105903549 785899248 /nfs/dbraw/zinc/89/92/48/785899248.db2.gz GYNKWEYWEMWMEO-SNVBAGLBSA-N 1 0 337.384 -1.228 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001105903822 785899056 /nfs/dbraw/zinc/89/90/56/785899056.db2.gz MLFJCRBXQKVJCY-JTQLQIEISA-N 1 0 338.372 -2.014 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001105903823 785899753 /nfs/dbraw/zinc/89/97/53/785899753.db2.gz MLFJCRBXQKVJCY-SNVBAGLBSA-N 1 0 338.372 -2.014 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001105903888 785900005 /nfs/dbraw/zinc/90/00/05/785900005.db2.gz NSQXZGDBSZRXAO-JTQLQIEISA-N 1 0 338.372 -2.014 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001105903889 785900073 /nfs/dbraw/zinc/90/00/73/785900073.db2.gz NSQXZGDBSZRXAO-SNVBAGLBSA-N 1 0 338.372 -2.014 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](O)CNc1ccc2nccnc2n1 ZINC001105904158 785899915 /nfs/dbraw/zinc/89/99/15/785899915.db2.gz RLXGLDJYNZLZRT-GFCCVEGCSA-N 1 0 348.407 -1.135 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](O)CNc1ccc2nccnc2n1 ZINC001105904159 785899072 /nfs/dbraw/zinc/89/90/72/785899072.db2.gz RLXGLDJYNZLZRT-LBPRGKRZSA-N 1 0 348.407 -1.135 20 0 EAADRO Cc1cc(NC[C@@H](O)CNC(=O)COCC[NH+](C)C)nc(CO)n1 ZINC001105904366 785900084 /nfs/dbraw/zinc/90/00/84/785900084.db2.gz SVFRHXLIQDKQBQ-GFCCVEGCSA-N 1 0 341.412 -1.255 20 0 EAADRO Cc1cc(NC[C@H](O)CNC(=O)COCC[NH+](C)C)nc(CO)n1 ZINC001105904369 785899265 /nfs/dbraw/zinc/89/92/65/785899265.db2.gz SVFRHXLIQDKQBQ-LBPRGKRZSA-N 1 0 341.412 -1.255 20 0 EAADRO COc1ccnc(NC[C@H](O)CNC(=O)COCC[NH+](C)C)n1 ZINC001105904790 785899606 /nfs/dbraw/zinc/89/96/06/785899606.db2.gz XTMGMFLPLDWGFV-LLVKDONJSA-N 1 0 327.385 -1.048 20 0 EAADRO COc1ccnc(NC[C@@H](O)CNC(=O)COCC[NH+](C)C)n1 ZINC001105904791 785899376 /nfs/dbraw/zinc/89/93/76/785899376.db2.gz XTMGMFLPLDWGFV-NSHDSACASA-N 1 0 327.385 -1.048 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H](O)CNc1ccnc(C(=O)OC)n1 ZINC001105909266 785899617 /nfs/dbraw/zinc/89/96/17/785899617.db2.gz FUNYUIWIRGUFPS-LLVKDONJSA-N 1 0 339.396 -1.084 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H](O)CNc1ccnc(C(=O)OC)n1 ZINC001105909267 785900089 /nfs/dbraw/zinc/90/00/89/785900089.db2.gz FUNYUIWIRGUFPS-NSHDSACASA-N 1 0 339.396 -1.084 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H](O)CNc1ncnc2c1nnn2C ZINC001105910227 785899684 /nfs/dbraw/zinc/89/96/84/785899684.db2.gz SOHGPTRMVMWUOW-JTQLQIEISA-N 1 0 336.400 -1.011 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H](O)CNc1ncnc2c1nnn2C ZINC001105910228 785899141 /nfs/dbraw/zinc/89/91/41/785899141.db2.gz SOHGPTRMVMWUOW-SNVBAGLBSA-N 1 0 336.400 -1.011 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105913547 785899489 /nfs/dbraw/zinc/89/94/89/785899489.db2.gz FNDAAPYOTIEXPY-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105913548 785899650 /nfs/dbraw/zinc/89/96/50/785899650.db2.gz FNDAAPYOTIEXPY-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105913549 785900023 /nfs/dbraw/zinc/90/00/23/785900023.db2.gz FNDAAPYOTIEXPY-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105913550 785900271 /nfs/dbraw/zinc/90/02/71/785900271.db2.gz FNDAAPYOTIEXPY-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNc2nccn3nnnc23)C1 ZINC001105913997 785900195 /nfs/dbraw/zinc/90/01/95/785900195.db2.gz MVURKZFIJARWSF-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNc2nccn3nnnc23)C1 ZINC001105913998 785900166 /nfs/dbraw/zinc/90/01/66/785900166.db2.gz MVURKZFIJARWSF-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNc2nccn3nnnc23)C1 ZINC001105913999 785900132 /nfs/dbraw/zinc/90/01/32/785900132.db2.gz MVURKZFIJARWSF-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNc2nccn3nnnc23)C1 ZINC001105914000 785900144 /nfs/dbraw/zinc/90/01/44/785900144.db2.gz MVURKZFIJARWSF-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001105914160 785901904 /nfs/dbraw/zinc/90/19/04/785901904.db2.gz PXVPVCOYGHKSHE-GHMZBOCLSA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001105914161 785900943 /nfs/dbraw/zinc/90/09/43/785900943.db2.gz PXVPVCOYGHKSHE-MNOVXSKESA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001105914162 785900857 /nfs/dbraw/zinc/90/08/57/785900857.db2.gz PXVPVCOYGHKSHE-QWRGUYRKSA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001105914163 785900926 /nfs/dbraw/zinc/90/09/26/785900926.db2.gz PXVPVCOYGHKSHE-WDEREUQCSA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105915305 785900717 /nfs/dbraw/zinc/90/07/17/785900717.db2.gz AJTGCKGKGYSIDY-ZYHUDNBSSA-N 1 0 336.396 -1.158 20 0 EAADRO O=C(NC[C@@H](O)CNc1ccc2nnnn2n1)C12CC[NH+](CC1)C2 ZINC001105916889 785901217 /nfs/dbraw/zinc/90/12/17/785901217.db2.gz BZGLJUBZZRZALI-JTQLQIEISA-N 1 0 332.368 -1.496 20 0 EAADRO O=C(NC[C@H](O)CNc1ccc2nnnn2n1)C12CC[NH+](CC1)C2 ZINC001105916890 785900742 /nfs/dbraw/zinc/90/07/42/785900742.db2.gz BZGLJUBZZRZALI-SNVBAGLBSA-N 1 0 332.368 -1.496 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1)[NH+](C)C ZINC001105917136 785900786 /nfs/dbraw/zinc/90/07/86/785900786.db2.gz CSYLWBFYGBZOCF-GWCFXTLKSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1)[NH+](C)C ZINC001105917137 785900671 /nfs/dbraw/zinc/90/06/71/785900671.db2.gz CSYLWBFYGBZOCF-GXFFZTMASA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H](O)CNc1ccc2nnnn2n1)[NH+](C)C ZINC001105917138 785900830 /nfs/dbraw/zinc/90/08/30/785900830.db2.gz CSYLWBFYGBZOCF-MFKMUULPSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@H](O)CNc1ccc2nnnn2n1)[NH+](C)C ZINC001105917139 785901852 /nfs/dbraw/zinc/90/18/52/785901852.db2.gz CSYLWBFYGBZOCF-ZWNOBZJWSA-N 1 0 336.400 -1.006 20 0 EAADRO COC(=O)c1nccc(NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001105917288 785900777 /nfs/dbraw/zinc/90/07/77/785900777.db2.gz HALSMZQNRSJDNR-LLVKDONJSA-N 1 0 349.391 -1.330 20 0 EAADRO COC(=O)c1nccc(NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001105917289 785900770 /nfs/dbraw/zinc/90/07/70/785900770.db2.gz HALSMZQNRSJDNR-NSHDSACASA-N 1 0 349.391 -1.330 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001105917423 785900760 /nfs/dbraw/zinc/90/07/60/785900760.db2.gz ICOQIMRNQBWMNF-JTQLQIEISA-N 1 0 346.395 -1.257 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001105917424 785901428 /nfs/dbraw/zinc/90/14/28/785901428.db2.gz ICOQIMRNQBWMNF-SNVBAGLBSA-N 1 0 346.395 -1.257 20 0 EAADRO O=C(NC[C@@H](O)CNc1nccn2nnnc12)C12CC[NH+](CC1)C2 ZINC001105917931 785901224 /nfs/dbraw/zinc/90/12/24/785901224.db2.gz TUAWVVHBFAEXQA-JTQLQIEISA-N 1 0 332.368 -1.496 20 0 EAADRO O=C(NC[C@H](O)CNc1nccn2nnnc12)C12CC[NH+](CC1)C2 ZINC001105917932 785901416 /nfs/dbraw/zinc/90/14/16/785901416.db2.gz TUAWVVHBFAEXQA-SNVBAGLBSA-N 1 0 332.368 -1.496 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@H](O)CNc1nccn2nnnc12)[NH+](C)C ZINC001105918158 785901238 /nfs/dbraw/zinc/90/12/38/785901238.db2.gz YTQWLYMVHOYSFQ-GHMZBOCLSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H](O)CNc1nccn2nnnc12)[NH+](C)C ZINC001105918159 785901812 /nfs/dbraw/zinc/90/18/12/785901812.db2.gz YTQWLYMVHOYSFQ-MNOVXSKESA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H](O)CNc1nccn2nnnc12)[NH+](C)C ZINC001105918160 785901464 /nfs/dbraw/zinc/90/14/64/785901464.db2.gz YTQWLYMVHOYSFQ-QWRGUYRKSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@H](O)CNc1nccn2nnnc12)[NH+](C)C ZINC001105918161 785901567 /nfs/dbraw/zinc/90/15/67/785901567.db2.gz YTQWLYMVHOYSFQ-WDEREUQCSA-N 1 0 336.400 -1.006 20 0 EAADRO CC[C@H](C(=O)NC[C@H](O)CNc1ccnc(C(=O)OC)n1)[NH+](C)C ZINC001105926126 785904895 /nfs/dbraw/zinc/90/48/95/785904895.db2.gz NQLWFZQWAMTTOX-GHMZBOCLSA-N 1 0 339.396 -1.086 20 0 EAADRO CC[C@@H](C(=O)NC[C@H](O)CNc1ccnc(C(=O)OC)n1)[NH+](C)C ZINC001105926127 785905682 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EAADRO CC[C@@H](C(=O)NC[C@H](O)CNc1ncnc2c1nnn2C)[NH+](C)C ZINC001105926413 785904869 /nfs/dbraw/zinc/90/48/69/785904869.db2.gz UQFCMIKGABWTGF-ZJUUUORDSA-N 1 0 336.400 -1.013 20 0 EAADRO O=C(NC[C@H](O)CNc1nccn2nnnc12)[C@@]12CC[N@H+](C1)CCC2 ZINC001105927722 785906392 /nfs/dbraw/zinc/90/63/92/785906392.db2.gz MVULYJMSVPRKFU-ABAIWWIYSA-N 1 0 346.395 -1.106 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001105929036 785906530 /nfs/dbraw/zinc/90/65/30/785906530.db2.gz DLWATZZMAIVDKA-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C ZINC001105936454 785908449 /nfs/dbraw/zinc/90/84/49/785908449.db2.gz AAOINOTYSNWVQZ-GMTAPVOTSA-N 1 0 339.396 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001105936586 785907549 /nfs/dbraw/zinc/90/75/49/785907549.db2.gz HLFOKXPDRGILEO-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]CCNS(C)(=O)=O 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O=C(NC[C@@H](O)CNc1ccc2nnnn2n1)[C@@H]1C[NH+]2CCC1CC2 ZINC001105983584 785918068 /nfs/dbraw/zinc/91/80/68/785918068.db2.gz JZNIVGHEPAQOBR-NWDGAFQWSA-N 1 0 346.395 -1.250 20 0 EAADRO O=C(NC[C@@H](O)CNc1ccc2nnnn2n1)[C@H]1C[NH+]2CCC1CC2 ZINC001105983585 785918073 /nfs/dbraw/zinc/91/80/73/785918073.db2.gz JZNIVGHEPAQOBR-RYUDHWBXSA-N 1 0 346.395 -1.250 20 0 EAADRO O=C(NC[C@H](O)CNc1ccc2nnnn2n1)[C@@H]1C[NH+]2CCC1CC2 ZINC001105983586 785918012 /nfs/dbraw/zinc/91/80/12/785918012.db2.gz JZNIVGHEPAQOBR-VXGBXAGGSA-N 1 0 346.395 -1.250 20 0 EAADRO O=C(NC[C@H](O)CNc1nccn2nnnc12)[C@H]1C[NH+]2CCC1CC2 ZINC001105983732 785918040 /nfs/dbraw/zinc/91/80/40/785918040.db2.gz NIEWOECRURIOFA-NEPJUHHUSA-N 1 0 346.395 -1.250 20 0 EAADRO O=C(NC[C@@H](O)CNc1nccn2nnnc12)[C@@H]1C[NH+]2CCC1CC2 ZINC001105983733 785918123 /nfs/dbraw/zinc/91/81/23/785918123.db2.gz NIEWOECRURIOFA-NWDGAFQWSA-N 1 0 346.395 -1.250 20 0 EAADRO O=C(NC[C@@H](O)CNc1nccn2nnnc12)[C@H]1C[NH+]2CCC1CC2 ZINC001105983734 785917953 /nfs/dbraw/zinc/91/79/53/785917953.db2.gz NIEWOECRURIOFA-RYUDHWBXSA-N 1 0 346.395 -1.250 20 0 EAADRO O=C(NC[C@H](O)CNc1nccn2nnnc12)[C@@H]1C[NH+]2CCC1CC2 ZINC001105983735 785918422 /nfs/dbraw/zinc/91/84/22/785918422.db2.gz NIEWOECRURIOFA-VXGBXAGGSA-N 1 0 346.395 -1.250 20 0 EAADRO Cc1nc(NC[C@@H](O)CNC(=O)Cn2nccn2)nc(N(C)C)n1 ZINC001105985161 785918186 /nfs/dbraw/zinc/91/81/86/785918186.db2.gz IWXJLAXKDGSJDQ-JTQLQIEISA-N 1 0 335.372 -1.573 20 0 EAADRO Cc1nc(NC[C@H](O)CNC(=O)Cn2nccn2)nc(N(C)C)n1 ZINC001105985163 785918370 /nfs/dbraw/zinc/91/83/70/785918370.db2.gz IWXJLAXKDGSJDQ-SNVBAGLBSA-N 1 0 335.372 -1.573 20 0 EAADRO Cn1ncc2c1ncnc2NC[C@H](O)CNC(=O)Cn1nccn1 ZINC001105985622 785918150 /nfs/dbraw/zinc/91/81/50/785918150.db2.gz PUGQTYPVAPGQIG-SECBINFHSA-N 1 0 331.340 -1.456 20 0 EAADRO Cn1ncc2c1ncnc2NC[C@@H](O)CNC(=O)Cn1nccn1 ZINC001105985623 785917880 /nfs/dbraw/zinc/91/78/80/785917880.db2.gz PUGQTYPVAPGQIG-VIFPVBQESA-N 1 0 331.340 -1.456 20 0 EAADRO CN1CCc2ncnc(NC[C@H](O)CNC(=O)Cn3nccn3)c2C1 ZINC001105985856 785918496 /nfs/dbraw/zinc/91/84/96/785918496.db2.gz SVIQCWJIOSXGJL-LLVKDONJSA-N 1 0 346.395 -1.355 20 0 EAADRO CN1CCc2ncnc(NC[C@@H](O)CNC(=O)Cn3nccn3)c2C1 ZINC001105985857 785918096 /nfs/dbraw/zinc/91/80/96/785918096.db2.gz SVIQCWJIOSXGJL-NSHDSACASA-N 1 0 346.395 -1.355 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105990462 785918787 /nfs/dbraw/zinc/91/87/87/785918787.db2.gz MKTNHEIBOLNAQD-NXEZZACHSA-N 1 0 337.384 -1.384 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001105994494 785918742 /nfs/dbraw/zinc/91/87/42/785918742.db2.gz AYINIECUHLMUOO-CMPLNLGQSA-N 1 0 348.411 -1.013 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001105994495 785919967 /nfs/dbraw/zinc/91/99/67/785919967.db2.gz AYINIECUHLMUOO-JQWIXIFHSA-N 1 0 348.411 -1.013 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001105994496 785918838 /nfs/dbraw/zinc/91/88/38/785918838.db2.gz AYINIECUHLMUOO-PWSUYJOCSA-N 1 0 348.411 -1.013 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001105994497 785919455 /nfs/dbraw/zinc/91/94/55/785919455.db2.gz AYINIECUHLMUOO-ZYHUDNBSSA-N 1 0 348.411 -1.013 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1)C1CC1 ZINC001105994813 785918960 /nfs/dbraw/zinc/91/89/60/785918960.db2.gz HSPITXUICAHXDN-GWCFXTLKSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1)C1CC1 ZINC001105994814 785919761 /nfs/dbraw/zinc/91/97/61/785919761.db2.gz HSPITXUICAHXDN-GXFFZTMASA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@H](O)CNc1ccc2nnnn2n1)C1CC1 ZINC001105994815 785918885 /nfs/dbraw/zinc/91/88/85/785918885.db2.gz HSPITXUICAHXDN-MFKMUULPSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@H](O)CNc1ccc2nnnn2n1)C1CC1 ZINC001105994816 785918970 /nfs/dbraw/zinc/91/89/70/785918970.db2.gz HSPITXUICAHXDN-ZWNOBZJWSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@H](O)CNc1nccn2nnnc12)C1CC1 ZINC001105995213 785919131 /nfs/dbraw/zinc/91/91/31/785919131.db2.gz PQYAADZFSITTBL-GHMZBOCLSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@H](O)CNc1nccn2nnnc12)C1CC1 ZINC001105995214 785919337 /nfs/dbraw/zinc/91/93/37/785919337.db2.gz PQYAADZFSITTBL-MNOVXSKESA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@H](O)CNc1nccn2nnnc12)C1CC1 ZINC001105995215 785919351 /nfs/dbraw/zinc/91/93/51/785919351.db2.gz PQYAADZFSITTBL-QWRGUYRKSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@H](O)CNc1nccn2nnnc12)C1CC1 ZINC001105995216 785918694 /nfs/dbraw/zinc/91/86/94/785918694.db2.gz PQYAADZFSITTBL-WDEREUQCSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H](O)CNc2nccn3nnnc23)CCC1 ZINC001106003456 785922452 /nfs/dbraw/zinc/92/24/52/785922452.db2.gz BCXONTKSBUVFFX-JTQLQIEISA-N 1 0 334.384 -1.107 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H](O)CNc2nccn3nnnc23)CCC1 ZINC001106003457 785922019 /nfs/dbraw/zinc/92/20/19/785922019.db2.gz BCXONTKSBUVFFX-SNVBAGLBSA-N 1 0 334.384 -1.107 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)CCC1 ZINC001106003810 785921706 /nfs/dbraw/zinc/92/17/06/785921706.db2.gz HVYVATUHGRWKKR-JTQLQIEISA-N 1 0 334.384 -1.107 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H](O)CNc2ccc3nnnn3n2)CCC1 ZINC001106003811 785922170 /nfs/dbraw/zinc/92/21/70/785922170.db2.gz HVYVATUHGRWKKR-SNVBAGLBSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106003951 785922362 /nfs/dbraw/zinc/92/23/62/785922362.db2.gz KGKBMOPQFGDIKJ-GMTAPVOTSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106003952 785922480 /nfs/dbraw/zinc/92/24/80/785922480.db2.gz KGKBMOPQFGDIKJ-OUAUKWLOSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106008865 785923716 /nfs/dbraw/zinc/92/37/16/785923716.db2.gz BBAGWQASOKTGMD-GMTAPVOTSA-N 1 0 340.380 -1.181 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106008866 785923818 /nfs/dbraw/zinc/92/38/18/785923818.db2.gz BBAGWQASOKTGMD-OUAUKWLOSA-N 1 0 340.380 -1.181 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106018329 785926259 /nfs/dbraw/zinc/92/62/59/785926259.db2.gz JBRMPGUEHYMJCD-VXGBXAGGSA-N 1 0 341.412 -1.802 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)n1cncn1 ZINC001106020516 785925838 /nfs/dbraw/zinc/92/58/38/785925838.db2.gz GUFZIQGEEDZLBA-GMTAPVOTSA-N 1 0 337.384 -1.282 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)n1cncn1 ZINC001106020519 785925622 /nfs/dbraw/zinc/92/56/22/785925622.db2.gz GUFZIQGEEDZLBA-OUAUKWLOSA-N 1 0 337.384 -1.282 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106022118 785925769 /nfs/dbraw/zinc/92/57/69/785925769.db2.gz FPGCFWYBJFXPOC-IJLUTSLNSA-N 1 0 341.412 -1.804 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106022119 785926381 /nfs/dbraw/zinc/92/63/81/785926381.db2.gz FPGCFWYBJFXPOC-UTUOFQBUSA-N 1 0 341.412 -1.804 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001106027598 785927504 /nfs/dbraw/zinc/92/75/04/785927504.db2.gz AYJAOPKUQNBYCG-IJLUTSLNSA-N 1 0 327.385 -1.325 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001106027599 785927113 /nfs/dbraw/zinc/92/71/13/785927113.db2.gz AYJAOPKUQNBYCG-UTUOFQBUSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106027613 785927485 /nfs/dbraw/zinc/92/74/85/785927485.db2.gz BISNPYHDMIOYLA-RKDXNWHRSA-N 1 0 339.356 -2.137 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106028204 785927283 /nfs/dbraw/zinc/92/72/83/785927283.db2.gz RLILTIABVOFQQO-VXGBXAGGSA-N 1 0 334.384 -1.041 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106028340 785927343 /nfs/dbraw/zinc/92/73/43/785927343.db2.gz TWBJCKNUWMAURY-GHMZBOCLSA-N 1 0 336.396 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106028432 785928372 /nfs/dbraw/zinc/92/83/72/785928372.db2.gz XVKIQGHUXWGYLW-GHMZBOCLSA-N 1 0 345.425 -1.288 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]CCOCCO ZINC001106028537 785928347 /nfs/dbraw/zinc/92/83/47/785928347.db2.gz YBBQKYFJEYQRGP-VXGBXAGGSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106032433 785929891 /nfs/dbraw/zinc/92/98/91/785929891.db2.gz OCMXCYRBWITEFM-RKDXNWHRSA-N 1 0 337.384 -1.505 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106033495 785931011 /nfs/dbraw/zinc/93/10/11/785931011.db2.gz SXIXECJTCUYVDH-GHMZBOCLSA-N 1 0 338.412 -1.181 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106033554 785930982 /nfs/dbraw/zinc/93/09/82/785930982.db2.gz WRSYCSUABAQXIH-NXEZZACHSA-N 1 0 327.385 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CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106040904 785931703 /nfs/dbraw/zinc/93/17/03/785931703.db2.gz YDWFBJMVZBDMEI-OUAUKWLOSA-N 1 0 341.412 -1.220 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C ZINC001106044288 785933151 /nfs/dbraw/zinc/93/31/51/785933151.db2.gz LFPXDNXRNBXCKA-CHWSQXEVSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106047043 785933252 /nfs/dbraw/zinc/93/32/52/785933252.db2.gz DAFGFSZKHYTGCM-KXUCPTDWSA-N 1 0 327.385 -1.610 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106047044 785933068 /nfs/dbraw/zinc/93/30/68/785933068.db2.gz DAFGFSZKHYTGCM-OPRDCNLKSA-N 1 0 327.385 -1.610 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106047381 785933275 /nfs/dbraw/zinc/93/32/75/785933275.db2.gz IVJGSWKNHUCWNT-GMTAPVOTSA-N 1 0 341.412 -1.349 20 0 EAADRO 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333.410 -1.177 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106076481 785942225 /nfs/dbraw/zinc/94/22/25/785942225.db2.gz XPBVASUYBJELDB-MXWKQRLJSA-N 1 0 333.410 -1.177 20 0 EAADRO COC(=O)c1nccc(NC[C@@H](O)CNC(=O)CCC[NH+](C)C)n1 ZINC001106076730 785940998 /nfs/dbraw/zinc/94/09/98/785940998.db2.gz XOLBTWGYPWQYMF-LLVKDONJSA-N 1 0 339.396 -1.084 20 0 EAADRO COC(=O)c1nccc(NC[C@H](O)CNC(=O)CCC[NH+](C)C)n1 ZINC001106076732 785941268 /nfs/dbraw/zinc/94/12/68/785941268.db2.gz XOLBTWGYPWQYMF-NSHDSACASA-N 1 0 339.396 -1.084 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106081437 785945042 /nfs/dbraw/zinc/94/50/42/785945042.db2.gz POAQWFNSAYEZNN-GMTAPVOTSA-N 1 0 348.425 -1.672 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106081438 785944176 /nfs/dbraw/zinc/94/41/76/785944176.db2.gz POAQWFNSAYEZNN-MXWKQRLJSA-N 1 0 348.425 -1.672 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)o1 ZINC001106082867 785944740 /nfs/dbraw/zinc/94/47/40/785944740.db2.gz GUYZNUPRQOZJOO-PSASIEDQSA-N 1 0 338.368 -1.200 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001106082900 785944482 /nfs/dbraw/zinc/94/44/82/785944482.db2.gz HQNHMKIEXMMOPX-NXEZZACHSA-N 1 0 337.384 -1.432 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C)C(=O)NC(N)=O ZINC001106083751 785946054 /nfs/dbraw/zinc/94/60/54/785946054.db2.gz ZMBAKLSFZNLTIF-KXUCPTDWSA-N 1 0 337.384 -1.304 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C)C(=O)NC(N)=O ZINC001106083753 785945964 /nfs/dbraw/zinc/94/59/64/785945964.db2.gz ZMBAKLSFZNLTIF-OPRDCNLKSA-N 1 0 337.384 -1.304 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106084447 785947657 /nfs/dbraw/zinc/94/76/57/785947657.db2.gz NTHQCEJUDJHPBU-GHMZBOCLSA-N 1 0 349.395 -1.335 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106084574 785948509 /nfs/dbraw/zinc/94/85/09/785948509.db2.gz UJSRZPKTHFFLPA-GHMZBOCLSA-N 1 0 344.441 -1.338 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001106084663 785948106 /nfs/dbraw/zinc/94/81/06/785948106.db2.gz XEKLWLJXLAUFAE-NXEZZACHSA-N 1 0 337.384 -1.432 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](O)CNc1ncccn1 ZINC001106084878 785951468 /nfs/dbraw/zinc/95/14/68/785951468.db2.gz GFNUVLXKPMCQHD-OLZOCXBDSA-N 1 0 347.379 -1.164 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](O)CNc1ncccn1 ZINC001106084879 785951829 /nfs/dbraw/zinc/95/18/29/785951829.db2.gz GFNUVLXKPMCQHD-STQMWFEESA-N 1 0 347.379 -1.164 20 0 EAADRO Cn1ncc2c1nc(NC[C@H](O)CNC(=O)CC[NH+](C)C)[nH]c2=O ZINC001106085086 785951776 /nfs/dbraw/zinc/95/17/76/785951776.db2.gz MZQHKPHMDURIQC-SECBINFHSA-N 1 0 337.384 -1.090 20 0 EAADRO Cn1ncc2c1nc(NC[C@@H](O)CNC(=O)CC[NH+](C)C)[nH]c2=O ZINC001106085087 785951852 /nfs/dbraw/zinc/95/18/52/785951852.db2.gz MZQHKPHMDURIQC-VIFPVBQESA-N 1 0 337.384 -1.090 20 0 EAADRO COC(=O)c1nccc(NC[C@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001106085124 785951169 /nfs/dbraw/zinc/95/11/69/785951169.db2.gz OCWBKBXHDNNYCP-JTQLQIEISA-N 1 0 325.369 -1.474 20 0 EAADRO COC(=O)c1nccc(NC[C@@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001106085125 785951663 /nfs/dbraw/zinc/95/16/63/785951663.db2.gz OCWBKBXHDNNYCP-SNVBAGLBSA-N 1 0 325.369 -1.474 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)n1 ZINC001106085443 785951653 /nfs/dbraw/zinc/95/16/53/785951653.db2.gz FVPHTFGIPKNSDI-NXEZZACHSA-N 1 0 337.384 -1.209 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106085717 785951520 /nfs/dbraw/zinc/95/15/20/785951520.db2.gz LNTWKMOSZGDQLF-GHMZBOCLSA-N 1 0 344.441 -1.338 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106085865 785951200 /nfs/dbraw/zinc/95/12/00/785951200.db2.gz RCDKSRNPNXPHPC-GHMZBOCLSA-N 1 0 349.395 -1.335 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C)C(=O)NC(N)=O ZINC001106086084 785951670 /nfs/dbraw/zinc/95/16/70/785951670.db2.gz XCYSCLMIXYDTOM-KXUCPTDWSA-N 1 0 337.384 -1.304 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C)C(=O)NC(N)=O ZINC001106086085 785951790 /nfs/dbraw/zinc/95/17/90/785951790.db2.gz XCYSCLMIXYDTOM-OPRDCNLKSA-N 1 0 337.384 -1.304 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106086137 785951761 /nfs/dbraw/zinc/95/17/61/785951761.db2.gz AAZNOEZKFODOSC-CHWSQXEVSA-N 1 0 330.429 -1.002 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106087548 785952814 /nfs/dbraw/zinc/95/28/14/785952814.db2.gz YVYBMFLIKKTZLX-NXEZZACHSA-N 1 0 337.384 -1.209 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106090117 785953662 /nfs/dbraw/zinc/95/36/62/785953662.db2.gz CQKYVUJBMUSRAD-GHMZBOCLSA-N 1 0 338.416 -1.287 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106090129 785953674 /nfs/dbraw/zinc/95/36/74/785953674.db2.gz DOEURLGEWJVSJP-JHJVBQTASA-N 1 0 330.429 -1.003 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106090130 785954558 /nfs/dbraw/zinc/95/45/58/785954558.db2.gz DOEURLGEWJVSJP-UPJWGTAASA-N 1 0 330.429 -1.003 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106090339 785953742 /nfs/dbraw/zinc/95/37/42/785953742.db2.gz LYMULLHSAPTVLU-NXEZZACHSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001106090348 785953894 /nfs/dbraw/zinc/95/38/94/785953894.db2.gz MMNAOTNTYWSPDL-IJLUTSLNSA-N 1 0 325.413 -1.122 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001106090349 785954367 /nfs/dbraw/zinc/95/43/67/785954367.db2.gz MMNAOTNTYWSPDL-UTUOFQBUSA-N 1 0 325.413 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001106093146 785955399 /nfs/dbraw/zinc/95/53/99/785955399.db2.gz AKMNSMFXMBZNOY-VXGBXAGGSA-N 1 0 348.407 -1.334 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)CC1 ZINC001106097563 785957274 /nfs/dbraw/zinc/95/72/74/785957274.db2.gz IOBAMHQJNSVBTL-JTQLQIEISA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H](O)CNc2ccc3nnnn3n2)CC1 ZINC001106097564 785957414 /nfs/dbraw/zinc/95/74/14/785957414.db2.gz IOBAMHQJNSVBTL-SNVBAGLBSA-N 1 0 334.384 -1.250 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001106097747 785957348 /nfs/dbraw/zinc/95/73/48/785957348.db2.gz LWCISHAWETXVOB-JTQLQIEISA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2NC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001106097748 785956648 /nfs/dbraw/zinc/95/66/48/785956648.db2.gz LWCISHAWETXVOB-SNVBAGLBSA-N 1 0 348.411 -1.011 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNc2nccn3nnnc23)CC1 ZINC001106100622 785956464 /nfs/dbraw/zinc/95/64/64/785956464.db2.gz UARIFBQUWXLXCM-JTQLQIEISA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H](O)CNc2nccn3nnnc23)CC1 ZINC001106100623 785956825 /nfs/dbraw/zinc/95/68/25/785956825.db2.gz UARIFBQUWXLXCM-SNVBAGLBSA-N 1 0 334.384 -1.250 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)[nH]1 ZINC001106101613 785957376 /nfs/dbraw/zinc/95/73/76/785957376.db2.gz FNJLXZKOLALLKU-PSASIEDQSA-N 1 0 337.384 -1.465 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNc2nccn3nnnc23)C1 ZINC001106104084 785960055 /nfs/dbraw/zinc/96/00/55/785960055.db2.gz HHBTVTSHGHIYQI-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CNc2nccn3nnnc23)C1 ZINC001106104085 785959838 /nfs/dbraw/zinc/95/98/38/785959838.db2.gz HHBTVTSHGHIYQI-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CNc2nccn3nnnc23)C1 ZINC001106104086 785960001 /nfs/dbraw/zinc/96/00/01/785960001.db2.gz HHBTVTSHGHIYQI-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNc2nccn3nnnc23)C1 ZINC001106104087 785959538 /nfs/dbraw/zinc/95/95/38/785959538.db2.gz HHBTVTSHGHIYQI-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNc2ncnc3c2nnn3C)C1 ZINC001106104228 785958751 /nfs/dbraw/zinc/95/87/51/785958751.db2.gz KDYOGGXEEVSOEY-GHMZBOCLSA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CNc2ncnc3c2nnn3C)C1 ZINC001106104229 785958485 /nfs/dbraw/zinc/95/84/85/785958485.db2.gz KDYOGGXEEVSOEY-MNOVXSKESA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CNc2ncnc3c2nnn3C)C1 ZINC001106104230 785958422 /nfs/dbraw/zinc/95/84/22/785958422.db2.gz KDYOGGXEEVSOEY-QWRGUYRKSA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNc2ncnc3c2nnn3C)C1 ZINC001106104231 785958562 /nfs/dbraw/zinc/95/85/62/785958562.db2.gz KDYOGGXEEVSOEY-WDEREUQCSA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CNc2ccc3nnnn3n2)C1 ZINC001106104295 785959452 /nfs/dbraw/zinc/95/94/52/785959452.db2.gz KILYSRSEEOJFFQ-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)C1 ZINC001106104296 785959591 /nfs/dbraw/zinc/95/95/91/785959591.db2.gz KILYSRSEEOJFFQ-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)C1 ZINC001106104297 785959716 /nfs/dbraw/zinc/95/97/16/785959716.db2.gz KILYSRSEEOJFFQ-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CNc2ccc3nnnn3n2)C1 ZINC001106104298 785959343 /nfs/dbraw/zinc/95/93/43/785959343.db2.gz KILYSRSEEOJFFQ-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106107479 785961034 /nfs/dbraw/zinc/96/10/34/785961034.db2.gz BNOOPMWXHPVWQW-GHMZBOCLSA-N 1 0 336.396 -1.158 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001106109136 785960932 /nfs/dbraw/zinc/96/09/32/785960932.db2.gz USLQMRPBRRCHBY-GHMZBOCLSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001106109137 785960951 /nfs/dbraw/zinc/96/09/51/785960951.db2.gz USLQMRPBRRCHBY-MNOVXSKESA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001106109139 785960559 /nfs/dbraw/zinc/96/05/59/785960559.db2.gz USLQMRPBRRCHBY-QWRGUYRKSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001106109140 785961601 /nfs/dbraw/zinc/96/16/01/785961601.db2.gz USLQMRPBRRCHBY-WDEREUQCSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001106109406 785961391 /nfs/dbraw/zinc/96/13/91/785961391.db2.gz YLKPWFZNPSZBHV-GHMZBOCLSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001106109407 785960823 /nfs/dbraw/zinc/96/08/23/785960823.db2.gz YLKPWFZNPSZBHV-MNOVXSKESA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001106109408 785960886 /nfs/dbraw/zinc/96/08/86/785960886.db2.gz YLKPWFZNPSZBHV-QWRGUYRKSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001106109409 785960590 /nfs/dbraw/zinc/96/05/90/785960590.db2.gz YLKPWFZNPSZBHV-WDEREUQCSA-N 1 0 334.384 -1.107 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C ZINC001106111704 785962631 /nfs/dbraw/zinc/96/26/31/785962631.db2.gz PQKBQEFGQXOUEL-VXGBXAGGSA-N 1 0 338.412 -1.032 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)C[C@H]1C[NH2+]CCO ZINC001106116421 785962733 /nfs/dbraw/zinc/96/27/33/785962733.db2.gz CRLBSCZLLMECIR-VXGBXAGGSA-N 1 0 336.458 -1.599 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001106116586 785962683 /nfs/dbraw/zinc/96/26/83/785962683.db2.gz HXFOZRSLPVQKMU-GHMZBOCLSA-N 1 0 334.442 -1.644 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106117523 785962371 /nfs/dbraw/zinc/96/23/71/785962371.db2.gz UPIYKZBDIKZBQF-VXGBXAGGSA-N 1 0 325.413 -1.039 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001106119989 785964626 /nfs/dbraw/zinc/96/46/26/785964626.db2.gz LWIVRZHBACBMKC-IJLUTSLNSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001106119992 785964880 /nfs/dbraw/zinc/96/48/80/785964880.db2.gz LWIVRZHBACBMKC-UTUOFQBUSA-N 1 0 346.453 -1.502 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001106120401 785965981 /nfs/dbraw/zinc/96/59/81/785965981.db2.gz UGYICHBPXYZPSD-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106120610 785965930 /nfs/dbraw/zinc/96/59/30/785965930.db2.gz YWSGPQWCBAXGRK-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106120716 785966061 /nfs/dbraw/zinc/96/60/61/785966061.db2.gz DNVVFIBFKWEWQA-IJLUTSLNSA-N 1 0 342.396 -1.329 20 0 EAADRO C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106120717 785966191 /nfs/dbraw/zinc/96/61/91/785966191.db2.gz DNVVFIBFKWEWQA-UTUOFQBUSA-N 1 0 342.396 -1.329 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001106122632 785967423 /nfs/dbraw/zinc/96/74/23/785967423.db2.gz CPUXCWUKJVEXFE-GRYCIOLGSA-N 1 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C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106123690 785968459 /nfs/dbraw/zinc/96/84/59/785968459.db2.gz YCFIJPHXUUZSBT-GHMZBOCLSA-N 1 0 349.457 -2.106 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)NC(N)=O ZINC001106125687 785969659 /nfs/dbraw/zinc/96/96/59/785969659.db2.gz BUWQSTMHMVNLFV-GMTAPVOTSA-N 1 0 338.416 -1.159 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)NC(N)=O ZINC001106125688 785971495 /nfs/dbraw/zinc/97/14/95/785971495.db2.gz BUWQSTMHMVNLFV-OUAUKWLOSA-N 1 0 338.416 -1.159 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)NC(N)=O ZINC001106126505 785971702 /nfs/dbraw/zinc/97/17/02/785971702.db2.gz QLWJDAVAOBUSIL-KXUCPTDWSA-N 1 0 342.400 -1.688 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)NC(N)=O ZINC001106126509 785971715 /nfs/dbraw/zinc/97/17/15/785971715.db2.gz QLWJDAVAOBUSIL-OPRDCNLKSA-N 1 0 342.400 -1.688 20 0 EAADRO 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335.412 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106137509 785983346 /nfs/dbraw/zinc/98/33/46/785983346.db2.gz VQDWWVNPRBNWPN-GHMZBOCLSA-N 1 0 345.429 -2.094 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106137688 785982701 /nfs/dbraw/zinc/98/27/01/785982701.db2.gz YVWSCSWJECIVHU-VXGBXAGGSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106138667 785983848 /nfs/dbraw/zinc/98/38/48/785983848.db2.gz CCCWOXSDMQJRIF-MCIONIFRSA-N 1 0 348.411 -1.385 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106138668 785983795 /nfs/dbraw/zinc/98/37/95/785983795.db2.gz CCCWOXSDMQJRIF-MGPQQGTHSA-N 1 0 348.411 -1.385 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106138841 785983734 /nfs/dbraw/zinc/98/37/34/785983734.db2.gz GFQIDQGODBSXSX-VXGBXAGGSA-N 1 0 349.395 -1.494 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 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785998218 /nfs/dbraw/zinc/99/82/18/785998218.db2.gz STKJHFNUDBXLOC-GMTAPVOTSA-N 1 0 334.442 -1.516 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106159457 785998098 /nfs/dbraw/zinc/99/80/98/785998098.db2.gz STKJHFNUDBXLOC-OUAUKWLOSA-N 1 0 334.442 -1.516 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106159510 785998717 /nfs/dbraw/zinc/99/87/17/785998717.db2.gz WANCNFKFZCSMTM-GRYCIOLGSA-N 1 0 348.469 -1.256 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106159511 785998504 /nfs/dbraw/zinc/99/85/04/785998504.db2.gz WANCNFKFZCSMTM-IJLUTSLNSA-N 1 0 348.469 -1.256 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C[NH2+]CC(N)=O ZINC001106163440 786000662 /nfs/dbraw/zinc/00/06/62/786000662.db2.gz TXICHCBHHRVMIM-DGCLKSJQSA-N 1 0 333.392 -1.019 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106164829 786000322 /nfs/dbraw/zinc/00/03/22/786000322.db2.gz 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EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106202728 786011371 /nfs/dbraw/zinc/01/13/71/786011371.db2.gz BEQLCPXLPBVOSE-GMTAPVOTSA-N 1 0 334.442 -1.516 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106202729 786010859 /nfs/dbraw/zinc/01/08/59/786010859.db2.gz BEQLCPXLPBVOSE-OUAUKWLOSA-N 1 0 334.442 -1.516 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106202758 786011353 /nfs/dbraw/zinc/01/13/53/786011353.db2.gz CSGUFKQVXAGCKP-GHMZBOCLSA-N 1 0 334.442 -1.644 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001106202951 786011442 /nfs/dbraw/zinc/01/14/42/786011442.db2.gz IFURRQZHCMKJDC-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106203005 786010658 /nfs/dbraw/zinc/01/06/58/786010658.db2.gz ISFPCHYSNIFTNF-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C)C(N)=O 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JASFUDCBLJYSEQ-JFGNBEQYSA-N 1 0 341.412 -2.203 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001106332492 786015527 /nfs/dbraw/zinc/01/55/27/786015527.db2.gz JWNWUTQVQMYSIN-DGCLKSJQSA-N 1 0 328.413 -1.431 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001106332592 786014842 /nfs/dbraw/zinc/01/48/42/786014842.db2.gz OXHRFVRSFIFDML-DGCLKSJQSA-N 1 0 328.413 -1.695 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)O)[C@H](C)C1 ZINC001106332601 786015031 /nfs/dbraw/zinc/01/50/31/786015031.db2.gz PHWAFOQBZRTHDE-NQBHXWOUSA-N 1 0 328.413 -1.696 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)O)[C@H](C)C1 ZINC001106332602 786014688 /nfs/dbraw/zinc/01/46/88/786014688.db2.gz PHWAFOQBZRTHDE-NTZNESFSSA-N 1 0 328.413 -1.696 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106332704 786014973 /nfs/dbraw/zinc/01/49/73/786014973.db2.gz VCIAMDSHHJYGMV-MWLCHTKSSA-N 1 0 327.385 -2.592 20 0 EAADRO COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001106332717 786015412 /nfs/dbraw/zinc/01/54/12/786015412.db2.gz VVWHDPBHYCEBBJ-MBNYWOFBSA-N 1 0 342.440 -1.042 20 0 EAADRO COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001106332718 786014743 /nfs/dbraw/zinc/01/47/43/786014743.db2.gz VVWHDPBHYCEBBJ-YRGRVCCFSA-N 1 0 342.440 -1.042 20 0 EAADRO COCCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001106332726 786015447 /nfs/dbraw/zinc/01/54/47/786015447.db2.gz WCLGCTPPXVEXJP-TZMCWYRMSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001106332794 786015434 /nfs/dbraw/zinc/01/54/34/786015434.db2.gz ZIFQCQLPDDOLIA-ZYHUDNBSSA-N 1 0 341.412 -2.331 20 0 EAADRO C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C[NH2+]CC(N)=O ZINC001106333757 786016653 /nfs/dbraw/zinc/01/66/53/786016653.db2.gz QBJCWNJZMJZDJH-PSASIEDQSA-N 1 0 344.393 -1.290 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106336504 786015422 /nfs/dbraw/zinc/01/54/22/786015422.db2.gz RLOLPVAQIDJNHH-GMTAPVOTSA-N 1 0 336.396 -1.285 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106336505 786015551 /nfs/dbraw/zinc/01/55/51/786015551.db2.gz RLOLPVAQIDJNHH-OUAUKWLOSA-N 1 0 336.396 -1.285 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C)C(N)=O ZINC001106343033 786016831 /nfs/dbraw/zinc/01/68/31/786016831.db2.gz NIDMTNHSVUCHAM-FRRDWIJNSA-N 1 0 339.440 -1.682 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C)C(N)=O ZINC001106343034 786016852 /nfs/dbraw/zinc/01/68/52/786016852.db2.gz NIDMTNHSVUCHAM-JHJVBQTASA-N 1 0 339.440 -1.682 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C[NH2+]CCCO ZINC001106343149 786015868 /nfs/dbraw/zinc/01/58/68/786015868.db2.gz RLSGRSMHMODCKZ-ZIAGYGMSSA-N 1 0 326.441 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106343171 786016435 /nfs/dbraw/zinc/01/64/35/786016435.db2.gz SMLDJXMRJCCZBK-VXGBXAGGSA-N 1 0 325.413 -2.070 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC001106343175 786016019 /nfs/dbraw/zinc/01/60/19/786016019.db2.gz SQIAJLJIXOTTJF-CHWSQXEVSA-N 1 0 339.440 -1.810 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC001106343328 786016902 /nfs/dbraw/zinc/01/69/02/786016902.db2.gz ZDVNFWCLOZUDIV-HZSPNIEDSA-N 1 0 326.441 -1.175 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC001106343329 786015824 /nfs/dbraw/zinc/01/58/24/786015824.db2.gz ZDVNFWCLOZUDIV-MGPQQGTHSA-N 1 0 326.441 -1.175 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C ZINC001106343388 786016870 /nfs/dbraw/zinc/01/68/70/786016870.db2.gz BMKKYJRDUNYNPI-ZYHUDNBSSA-N 1 0 331.438 -1.149 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C)C(N)=O ZINC001106344674 786016158 /nfs/dbraw/zinc/01/61/58/786016158.db2.gz VXGGSHWAXPVKLM-CKYFFXLPSA-N 1 0 331.438 -1.021 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C)C(N)=O ZINC001106344675 786016067 /nfs/dbraw/zinc/01/60/67/786016067.db2.gz VXGGSHWAXPVKLM-JFGNBEQYSA-N 1 0 331.438 -1.021 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106346412 786016457 /nfs/dbraw/zinc/01/64/57/786016457.db2.gz CFEAUTZWNCZWBU-CHWSQXEVSA-N 1 0 348.411 -1.442 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106346423 786016626 /nfs/dbraw/zinc/01/66/26/786016626.db2.gz CYNXMXFFDPOYKC-VXGBXAGGSA-N 1 0 338.412 -1.646 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001106346615 786016081 /nfs/dbraw/zinc/01/60/81/786016081.db2.gz KVWAABIQDXGQBA-JHJVBQTASA-N 1 0 341.412 -1.727 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001106346616 786016738 /nfs/dbraw/zinc/01/67/38/786016738.db2.gz KVWAABIQDXGQBA-UPJWGTAASA-N 1 0 341.412 -1.727 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C)C(N)=O ZINC001106346632 786016761 /nfs/dbraw/zinc/01/67/61/786016761.db2.gz LKYVQZOJGNEKQS-IJLUTSLNSA-N 1 0 338.412 -1.470 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C)C(N)=O ZINC001106346633 786016885 /nfs/dbraw/zinc/01/68/85/786016885.db2.gz LKYVQZOJGNEKQS-UTUOFQBUSA-N 1 0 338.412 -1.470 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001106346688 786016970 /nfs/dbraw/zinc/01/69/70/786016970.db2.gz NUUSENHWWDECCU-VXGBXAGGSA-N 1 0 338.412 -1.598 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001106346722 786016198 /nfs/dbraw/zinc/01/61/98/786016198.db2.gz PWLRSGSNWRLAHF-GRYCIOLGSA-N 1 0 338.412 -1.600 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001106346723 786016618 /nfs/dbraw/zinc/01/66/18/786016618.db2.gz PWLRSGSNWRLAHF-IJLUTSLNSA-N 1 0 338.412 -1.600 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]CCOCCO ZINC001106346883 786016186 /nfs/dbraw/zinc/01/61/86/786016186.db2.gz YCDVAOXHMIPLRB-CHWSQXEVSA-N 1 0 341.412 -1.725 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001106356648 786015852 /nfs/dbraw/zinc/01/58/52/786015852.db2.gz HWTPGMNLLOBRCA-RKDXNWHRSA-N 1 0 345.354 -1.225 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106356680 786016176 /nfs/dbraw/zinc/01/61/76/786016176.db2.gz IOGYGXPSQWLUTD-GMTAPVOTSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106356681 786015991 /nfs/dbraw/zinc/01/59/91/786015991.db2.gz IOGYGXPSQWLUTD-OUAUKWLOSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106356730 786015968 /nfs/dbraw/zinc/01/59/68/786015968.db2.gz KBKQQASRKFLLFT-HTQZYQBOSA-N 1 0 349.338 -1.753 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106357178 786017002 /nfs/dbraw/zinc/01/70/02/786017002.db2.gz VYGBXLCSDUWEGK-BBBLOLIVSA-N 1 0 332.351 -1.060 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106357179 786016953 /nfs/dbraw/zinc/01/69/53/786016953.db2.gz VYGBXLCSDUWEGK-OPRDCNLKSA-N 1 0 332.351 -1.060 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106364949 786016688 /nfs/dbraw/zinc/01/66/88/786016688.db2.gz KZLQHAIKMZBYJI-GHMZBOCLSA-N 1 0 344.441 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106365698 786015948 /nfs/dbraw/zinc/01/59/48/786015948.db2.gz XTBXTGPDEYBLQG-NXEZZACHSA-N 1 0 330.414 -1.348 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106365711 786016305 /nfs/dbraw/zinc/01/63/05/786016305.db2.gz YIQFFRQLKRTVRI-NXEZZACHSA-N 1 0 335.368 -1.346 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001106366351 786016347 /nfs/dbraw/zinc/01/63/47/786016347.db2.gz PFAVLWDIKIYTJD-KXUCPTDWSA-N 1 0 337.384 -1.054 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001106366352 786015955 /nfs/dbraw/zinc/01/59/55/786015955.db2.gz PFAVLWDIKIYTJD-OPRDCNLKSA-N 1 0 337.384 -1.054 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C)C(N)=O ZINC001106367391 786016295 /nfs/dbraw/zinc/01/62/95/786016295.db2.gz DLYAJYWKTQCLIT-GRYCIOLGSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C)C(N)=O ZINC001106367392 786015874 /nfs/dbraw/zinc/01/58/74/786015874.db2.gz DLYAJYWKTQCLIT-IJLUTSLNSA-N 1 0 325.413 -1.040 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001106368586 786016240 /nfs/dbraw/zinc/01/62/40/786016240.db2.gz YJYFBECSYJRBQL-VXGBXAGGSA-N 1 0 325.413 -1.168 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001106369910 786016031 /nfs/dbraw/zinc/01/60/31/786016031.db2.gz BEGWJHDOSBTTHL-NXEZZACHSA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106369964 786016609 /nfs/dbraw/zinc/01/66/09/786016609.db2.gz FHHSELBNFXWESJ-ZYHUDNBSSA-N 1 0 349.391 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106370270 786016636 /nfs/dbraw/zinc/01/66/36/786016636.db2.gz KTOVZSBRGUMJKY-VXGBXAGGSA-N 1 0 336.396 -1.039 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001106370769 786016794 /nfs/dbraw/zinc/01/67/94/786016794.db2.gz ZOCUPJRZROAGIQ-GHMZBOCLSA-N 1 0 349.395 -1.939 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C[NH2+]CC(N)=O ZINC001106372723 786016838 /nfs/dbraw/zinc/01/68/38/786016838.db2.gz IERZPEOLXJZZAG-RKDXNWHRSA-N 1 0 344.393 -1.290 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106373559 786016771 /nfs/dbraw/zinc/01/67/71/786016771.db2.gz JSHDJUKIGSFSBG-CHWSQXEVSA-N 1 0 341.456 -1.388 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001106386410 786017121 /nfs/dbraw/zinc/01/71/21/786017121.db2.gz AMXDCBUMXXPCOJ-GHMZBOCLSA-N 1 0 337.380 -1.621 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C)C(N)=O ZINC001106386968 786018020 /nfs/dbraw/zinc/01/80/20/786018020.db2.gz RGAFEAMBXPDDHG-GMTAPVOTSA-N 1 0 337.380 -1.493 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C)C(N)=O ZINC001106386969 786017325 /nfs/dbraw/zinc/01/73/25/786017325.db2.gz RGAFEAMBXPDDHG-OUAUKWLOSA-N 1 0 337.380 -1.493 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC001106392513 786017834 /nfs/dbraw/zinc/01/78/34/786017834.db2.gz UEVNMLPGDQAPSS-VXGBXAGGSA-N 1 0 338.408 -1.044 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001106392656 786017889 /nfs/dbraw/zinc/01/78/89/786017889.db2.gz WEJLHQSDUXNFTP-GRYCIOLGSA-N 1 0 331.438 -1.149 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001106392657 786017716 /nfs/dbraw/zinc/01/77/16/786017716.db2.gz WEJLHQSDUXNFTP-IJLUTSLNSA-N 1 0 331.438 -1.149 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106392668 786017574 /nfs/dbraw/zinc/01/75/74/786017574.db2.gz WQSZGVCBCMJBFI-GRYCIOLGSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106392669 786017959 /nfs/dbraw/zinc/01/79/59/786017959.db2.gz WQSZGVCBCMJBFI-IJLUTSLNSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106393942 786018037 /nfs/dbraw/zinc/01/80/37/786018037.db2.gz DHBXXPFRBJBWDR-GRYCIOLGSA-N 1 0 325.413 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106393943 786017949 /nfs/dbraw/zinc/01/79/49/786017949.db2.gz DHBXXPFRBJBWDR-IJLUTSLNSA-N 1 0 325.413 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106407125 786017315 /nfs/dbraw/zinc/01/73/15/786017315.db2.gz YAOQXXZSTMHKTN-GHMZBOCLSA-N 1 0 349.391 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106433508 786018077 /nfs/dbraw/zinc/01/80/77/786018077.db2.gz KVJTZIGLYFHWAK-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CC(N)=O ZINC001106448845 786018115 /nfs/dbraw/zinc/01/81/15/786018115.db2.gz NUZGWUSOSCAIAL-LPWJVIDDSA-N 1 0 340.424 -1.031 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C ZINC001106461553 786018245 /nfs/dbraw/zinc/01/82/45/786018245.db2.gz CXRLPOSGSLCRJS-UTUOFQBUSA-N 1 0 347.437 -1.770 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C[NH2+]CCCO ZINC001106461625 786018371 /nfs/dbraw/zinc/01/83/71/786018371.db2.gz GYJULSNPQVYAST-UTUOFQBUSA-N 1 0 347.437 -2.034 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C[NH2+]CCCF ZINC001106461646 786018542 /nfs/dbraw/zinc/01/85/42/786018542.db2.gz HXACCAAEEPFNKJ-UTUOFQBUSA-N 1 0 349.428 -1.057 20 0 EAADRO CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C ZINC001106461877 786018965 /nfs/dbraw/zinc/01/89/65/786018965.db2.gz QKJIDXABTSLHRN-UTUOFQBUSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C[NH2+]CCO ZINC001106461957 786019260 /nfs/dbraw/zinc/01/92/60/786019260.db2.gz SISJZUGOFBDSNJ-MXWKQRLJSA-N 1 0 333.410 -2.424 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C[NH2+]CCF ZINC001106462066 786018334 /nfs/dbraw/zinc/01/83/34/786018334.db2.gz VYRUSMILPXJALD-MXWKQRLJSA-N 1 0 335.401 -1.447 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C[NH2+]CC(N)=O ZINC001106462281 786018580 /nfs/dbraw/zinc/01/85/80/786018580.db2.gz ZLRYSGSRONDFMX-BBBLOLIVSA-N 1 0 346.409 -2.931 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C[NH2+]CC(N)=O ZINC001106464828 786018916 /nfs/dbraw/zinc/01/89/16/786018916.db2.gz DQMZETXGOCNCFT-FOGDFJRCSA-N 1 0 334.380 -1.465 20 0 EAADRO C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106465101 786019075 /nfs/dbraw/zinc/01/90/75/786019075.db2.gz HWGKKTCIJVLNQV-FCHSOHFDSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106465102 786019319 /nfs/dbraw/zinc/01/93/19/786019319.db2.gz HWGKKTCIJVLNQV-IQMDTDKHSA-N 1 0 339.396 -1.608 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C ZINC001106465408 786019000 /nfs/dbraw/zinc/01/90/00/786019000.db2.gz MAQAMSNKLMVEFO-WZRBSPASSA-N 1 0 348.407 -1.204 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C[NH2+]CC(N)=O ZINC001106468474 786019144 /nfs/dbraw/zinc/01/91/44/786019144.db2.gz SJCKHXXYJVGPFO-GHMZBOCLSA-N 1 0 344.379 -1.160 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001106469966 786018396 /nfs/dbraw/zinc/01/83/96/786018396.db2.gz SBIMZAADWMMRFD-VXGBXAGGSA-N 1 0 338.412 -1.598 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C)C(N)=O ZINC001106471114 786018266 /nfs/dbraw/zinc/01/82/66/786018266.db2.gz UGPWRPAKQNKVHQ-GRYCIOLGSA-N 1 0 338.412 -1.470 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C)C(N)=O ZINC001106471115 786019235 /nfs/dbraw/zinc/01/92/35/786019235.db2.gz UGPWRPAKQNKVHQ-IJLUTSLNSA-N 1 0 338.412 -1.470 20 0 EAADRO CCC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)S(N)(=O)=O ZINC001106477019 786018553 /nfs/dbraw/zinc/01/85/53/786018553.db2.gz DPQRQEFVSNQFSH-IJLUTSLNSA-N 1 0 348.469 -1.126 20 0 EAADRO CCC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)S(N)(=O)=O ZINC001106477020 786019057 /nfs/dbraw/zinc/01/90/57/786019057.db2.gz DPQRQEFVSNQFSH-UTUOFQBUSA-N 1 0 348.469 -1.126 20 0 EAADRO CCC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)S(N)(=O)=O ZINC001106478390 786018618 /nfs/dbraw/zinc/01/86/18/786018618.db2.gz XJUSHXGGYSXDLD-GMTAPVOTSA-N 1 0 334.442 -1.387 20 0 EAADRO CCC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)S(N)(=O)=O ZINC001106478401 786018592 /nfs/dbraw/zinc/01/85/92/786018592.db2.gz XJUSHXGGYSXDLD-MXWKQRLJSA-N 1 0 334.442 -1.387 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001106479565 786019133 /nfs/dbraw/zinc/01/91/33/786019133.db2.gz HSRDSZMFBAVWMU-NXEZZACHSA-N 1 0 335.430 -2.530 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)OC)[C@H](C)C1 ZINC001106479609 786018855 /nfs/dbraw/zinc/01/88/55/786018855.db2.gz KBMNXYANVMWJFF-GRYCIOLGSA-N 1 0 336.458 -1.241 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)OC)[C@H](C)C1 ZINC001106479610 786018723 /nfs/dbraw/zinc/01/87/23/786018723.db2.gz KBMNXYANVMWJFF-IJLUTSLNSA-N 1 0 336.458 -1.241 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106479811 786019010 /nfs/dbraw/zinc/01/90/10/786019010.db2.gz RNLQOBSULVWEDH-GHMZBOCLSA-N 1 0 349.457 -2.188 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](C)C1 ZINC001106480515 786018344 /nfs/dbraw/zinc/01/83/44/786018344.db2.gz ABGBETPACHDVHI-GHMZBOCLSA-N 1 0 345.425 -1.088 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCOC2)[C@H](C)C1 ZINC001106480551 786018496 /nfs/dbraw/zinc/01/84/96/786018496.db2.gz AWRGLMNIYKWPFP-FRRDWIJNSA-N 1 0 348.469 -1.239 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCOC2)[C@H](C)C1 ZINC001106480553 786019043 /nfs/dbraw/zinc/01/90/43/786019043.db2.gz AWRGLMNIYKWPFP-JHJVBQTASA-N 1 0 348.469 -1.239 20 0 EAADRO CCOCC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001106480851 786019300 /nfs/dbraw/zinc/01/93/00/786019300.db2.gz HNZKSYKGMNPKPS-VXGBXAGGSA-N 1 0 336.458 -1.239 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001106480875 786018947 /nfs/dbraw/zinc/01/89/47/786018947.db2.gz IOSZAEQTDWQREW-GMTAPVOTSA-N 1 0 349.457 -2.141 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001106480876 786018735 /nfs/dbraw/zinc/01/87/35/786018735.db2.gz IOSZAEQTDWQREW-OUAUKWLOSA-N 1 0 349.457 -2.141 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)N(C(C)=O)C1 ZINC001106481027 786018868 /nfs/dbraw/zinc/01/88/68/786018868.db2.gz KTKARQHUCWWESS-RUZUBIRVSA-N 1 0 340.424 -1.208 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106481055 786018299 /nfs/dbraw/zinc/01/82/99/786018299.db2.gz LOSPYFRKOWRPMF-KXUCPTDWSA-N 1 0 335.430 -2.402 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106481056 786018456 /nfs/dbraw/zinc/01/84/56/786018456.db2.gz LOSPYFRKOWRPMF-OPRDCNLKSA-N 1 0 335.430 -2.402 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H](C)COC)[C@H](C)C1 ZINC001106481206 786018683 /nfs/dbraw/zinc/01/86/83/786018683.db2.gz NOCXQNKLOVTMGB-GRYCIOLGSA-N 1 0 336.458 -1.241 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H](C)COC)[C@H](C)C1 ZINC001106481207 786019334 /nfs/dbraw/zinc/01/93/34/786019334.db2.gz NOCXQNKLOVTMGB-IJLUTSLNSA-N 1 0 336.458 -1.241 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001106481800 786019117 /nfs/dbraw/zinc/01/91/17/786019117.db2.gz WEHKDGWGHFQWGC-NXEZZACHSA-N 1 0 346.413 -1.693 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001106481850 786018664 /nfs/dbraw/zinc/01/86/64/786018664.db2.gz YGSGUBBIYVWVKU-GMTAPVOTSA-N 1 0 349.457 -2.012 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001106481851 786018760 /nfs/dbraw/zinc/01/87/60/786018760.db2.gz YGSGUBBIYVWVKU-MXWKQRLJSA-N 1 0 349.457 -2.012 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+]CCCOC)[C@H](C)C1 ZINC001106481857 786018672 /nfs/dbraw/zinc/01/86/72/786018672.db2.gz YKFMYTMGOPAMMW-VXGBXAGGSA-N 1 0 336.458 -1.239 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001106482310 786019209 /nfs/dbraw/zinc/01/92/09/786019209.db2.gz IMEJTWMGYRBUED-GMTAPVOTSA-N 1 0 347.441 -2.387 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001106482311 786018522 /nfs/dbraw/zinc/01/85/22/786018522.db2.gz IMEJTWMGYRBUED-MXWKQRLJSA-N 1 0 347.441 -2.387 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001106483227 786018650 /nfs/dbraw/zinc/01/86/50/786018650.db2.gz TXMNBDWWJWBMTH-GHMZBOCLSA-N 1 0 349.457 -2.140 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001106494160 786019659 /nfs/dbraw/zinc/01/96/59/786019659.db2.gz HVPGKUKLCYFTFY-VXGBXAGGSA-N 1 0 349.391 -1.069 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C[NH2+]CCO)[C@H](C)C2)nn1-c1nc[nH]n1 ZINC001106501863 786020258 /nfs/dbraw/zinc/02/02/58/786020258.db2.gz IZOGDFOQJOOIPJ-MWLCHTKSSA-N 1 0 334.384 -1.016 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)nn1-c1nc[nH]n1 ZINC001106502197 786020508 /nfs/dbraw/zinc/02/05/08/786020508.db2.gz VEEPXJOIXYSART-PSASIEDQSA-N 1 0 347.383 -1.523 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106506783 786019595 /nfs/dbraw/zinc/01/95/95/786019595.db2.gz TXHKTDGXTVTGJY-VXGBXAGGSA-N 1 0 346.391 -1.335 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C ZINC001106511227 786019782 /nfs/dbraw/zinc/01/97/82/786019782.db2.gz FJPOLVTZQKFVML-PSASIEDQSA-N 1 0 337.384 -1.134 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106512491 786019706 /nfs/dbraw/zinc/01/97/06/786019706.db2.gz MWNBPCWZZRJZET-MWLCHTKSSA-N 1 0 349.395 -1.037 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106512899 786020110 /nfs/dbraw/zinc/02/01/10/786020110.db2.gz XKPDXMIJQZIZLD-MWLCHTKSSA-N 1 0 344.441 -1.040 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106512902 786020460 /nfs/dbraw/zinc/02/04/60/786020460.db2.gz XNVSRMPPBQAOKC-FKTZTGRPSA-N 1 0 337.384 -1.006 20 0 EAADRO Cc1n[nH]nc1C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106512903 786019947 /nfs/dbraw/zinc/01/99/47/786019947.db2.gz XNVSRMPPBQAOKC-SZEHBUNVSA-N 1 0 337.384 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106517341 786019571 /nfs/dbraw/zinc/01/95/71/786019571.db2.gz AMZYRSVKSPSKSC-CHWSQXEVSA-N 1 0 339.440 -1.810 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001106517357 786019742 /nfs/dbraw/zinc/01/97/42/786019742.db2.gz BGCWTXOUDBKQAI-MCIONIFRSA-N 1 0 342.440 -1.890 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001106517358 786020527 /nfs/dbraw/zinc/02/05/27/786020527.db2.gz BGCWTXOUDBKQAI-MGPQQGTHSA-N 1 0 342.440 -1.890 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]CCOCCO ZINC001106517421 786019546 /nfs/dbraw/zinc/01/95/46/786019546.db2.gz DLXGIMJUZOBVOX-ZIAGYGMSSA-N 1 0 342.440 -1.889 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001106517424 786019559 /nfs/dbraw/zinc/01/95/59/786019559.db2.gz DOWHAWFIZIDDAZ-VXGBXAGGSA-N 1 0 325.413 -2.152 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001106517483 786020331 /nfs/dbraw/zinc/02/03/31/786020331.db2.gz GUVIQHBQUYKJAJ-CHWSQXEVSA-N 1 0 339.440 -1.762 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001106517614 786020181 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C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106580037 786021661 /nfs/dbraw/zinc/02/16/61/786021661.db2.gz VYVHXDPKJJXHEZ-RULNRJAQSA-N 1 0 330.360 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106590875 786021356 /nfs/dbraw/zinc/02/13/56/786021356.db2.gz CHZJLMQHXFMWAJ-RKDXNWHRSA-N 1 0 336.352 -1.738 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001106601753 786022101 /nfs/dbraw/zinc/02/21/01/786022101.db2.gz BRHPYGPPKQLVRZ-IJLUTSLNSA-N 1 0 325.413 -1.124 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001106601754 786021820 /nfs/dbraw/zinc/02/18/20/786021820.db2.gz BRHPYGPPKQLVRZ-UTUOFQBUSA-N 1 0 325.413 -1.124 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106601808 786022105 /nfs/dbraw/zinc/02/21/05/786022105.db2.gz DVSRCOKYGPAKGQ-HLTSFMKQSA-N 1 0 326.357 -2.453 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106601809 786022263 /nfs/dbraw/zinc/02/22/63/786022263.db2.gz DVSRCOKYGPAKGQ-IWSPIJDZSA-N 1 0 326.357 -2.453 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106602087 786022020 /nfs/dbraw/zinc/02/20/20/786022020.db2.gz IYDGOPBOXRAFON-JHJVBQTASA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106602088 786021965 /nfs/dbraw/zinc/02/19/65/786021965.db2.gz IYDGOPBOXRAFON-UPJWGTAASA-N 1 0 337.424 -1.026 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001106602359 786022097 /nfs/dbraw/zinc/02/20/97/786022097.db2.gz KWGBNNGILSPGSB-IJLUTSLNSA-N 1 0 325.413 -1.170 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001106602362 786022207 /nfs/dbraw/zinc/02/22/07/786022207.db2.gz KWGBNNGILSPGSB-UTUOFQBUSA-N 1 0 325.413 -1.170 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106602395 786021875 /nfs/dbraw/zinc/02/18/75/786021875.db2.gz LEWZJKBYBLTMAR-RAIGVLPGSA-N 1 0 337.424 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106602396 786021868 /nfs/dbraw/zinc/02/18/68/786021868.db2.gz LEWZJKBYBLTMAR-RTXFEEFZSA-N 1 0 337.424 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106602451 786022044 /nfs/dbraw/zinc/02/20/44/786022044.db2.gz MQWSMPKENOGTMJ-GMTAPVOTSA-N 1 0 332.426 -1.604 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106602454 786022278 /nfs/dbraw/zinc/02/22/78/786022278.db2.gz MQWSMPKENOGTMJ-MXWKQRLJSA-N 1 0 332.426 -1.604 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001106602801 786022093 /nfs/dbraw/zinc/02/20/93/786022093.db2.gz RWPKCHCDFOHGFO-IJLUTSLNSA-N 1 0 325.413 -1.122 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001106602802 786022221 /nfs/dbraw/zinc/02/22/21/786022221.db2.gz RWPKCHCDFOHGFO-UTUOFQBUSA-N 1 0 325.413 -1.122 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001106602876 786022266 /nfs/dbraw/zinc/02/22/66/786022266.db2.gz VUSQOKRHURHVEA-BBBLOLIVSA-N 1 0 340.384 -2.193 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001106602877 786022184 /nfs/dbraw/zinc/02/21/84/786022184.db2.gz VUSQOKRHURHVEA-OPRDCNLKSA-N 1 0 340.384 -2.193 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106603115 786022142 /nfs/dbraw/zinc/02/21/42/786022142.db2.gz WEPRABHPZGWHDZ-NQBHXWOUSA-N 1 0 337.424 -1.027 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106603116 786022038 /nfs/dbraw/zinc/02/20/38/786022038.db2.gz WEPRABHPZGWHDZ-WZRBSPASSA-N 1 0 337.424 -1.027 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106604160 786022122 /nfs/dbraw/zinc/02/21/22/786022122.db2.gz ORXANSLVMKCUSG-GMTAPVOTSA-N 1 0 347.441 -2.099 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106604168 786021799 /nfs/dbraw/zinc/02/17/99/786021799.db2.gz ORXANSLVMKCUSG-MXWKQRLJSA-N 1 0 347.441 -2.099 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106604489 786021807 /nfs/dbraw/zinc/02/18/07/786021807.db2.gz RMOIFMJQXIUHKF-RAIGVLPGSA-N 1 0 337.424 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106604490 786021841 /nfs/dbraw/zinc/02/18/41/786021841.db2.gz RMOIFMJQXIUHKF-RTXFEEFZSA-N 1 0 337.424 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106604688 786021898 /nfs/dbraw/zinc/02/18/98/786021898.db2.gz VUOALJBDELWBET-IJLUTSLNSA-N 1 0 338.412 -1.623 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106604689 786022194 /nfs/dbraw/zinc/02/21/94/786022194.db2.gz VUOALJBDELWBET-UTUOFQBUSA-N 1 0 338.412 -1.623 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106604753 786021955 /nfs/dbraw/zinc/02/19/55/786021955.db2.gz WWZZTHQIZIQQRC-IJLUTSLNSA-N 1 0 346.453 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106604754 786021756 /nfs/dbraw/zinc/02/17/56/786021756.db2.gz WWZZTHQIZIQQRC-UTUOFQBUSA-N 1 0 346.453 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106604811 786021920 /nfs/dbraw/zinc/02/19/20/786021920.db2.gz YWHSPXQBHZTXAR-JHJVBQTASA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106604812 786022063 /nfs/dbraw/zinc/02/20/63/786022063.db2.gz YWHSPXQBHZTXAR-UPJWGTAASA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C)C(N)=O ZINC001106605278 786022066 /nfs/dbraw/zinc/02/20/66/786022066.db2.gz JPYCHDMWXIVYNU-GMTAPVOTSA-N 1 0 334.442 -1.387 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C)C(N)=O ZINC001106605280 786022244 /nfs/dbraw/zinc/02/22/44/786022244.db2.gz JPYCHDMWXIVYNU-OUAUKWLOSA-N 1 0 334.442 -1.387 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001106606112 786021983 /nfs/dbraw/zinc/02/19/83/786021983.db2.gz AYJGZOSMHJFFRZ-NXEZZACHSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106606186 786022089 /nfs/dbraw/zinc/02/20/89/786022089.db2.gz DRTJSIGQRMCUQS-GHMZBOCLSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106606558 786021975 /nfs/dbraw/zinc/02/19/75/786021975.db2.gz JGOPJYCWEUISKS-RKDXNWHRSA-N 1 0 325.369 -1.869 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001106608565 786021960 /nfs/dbraw/zinc/02/19/60/786021960.db2.gz CPKMLYSGTCAXJT-NXEZZACHSA-N 1 0 341.412 -1.220 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001106608646 786022082 /nfs/dbraw/zinc/02/20/82/786022082.db2.gz DRAWVPDTBGFDJI-GRYCIOLGSA-N 1 0 326.397 -1.597 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001106608648 786022163 /nfs/dbraw/zinc/02/21/63/786022163.db2.gz DRAWVPDTBGFDJI-IJLUTSLNSA-N 1 0 326.397 -1.597 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001106608782 786022225 /nfs/dbraw/zinc/02/22/25/786022225.db2.gz HKRHDOKGULOMBS-GMTAPVOTSA-N 1 0 340.380 -2.334 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001106608783 786022078 /nfs/dbraw/zinc/02/20/78/786022078.db2.gz HKRHDOKGULOMBS-MXWKQRLJSA-N 1 0 340.380 -2.334 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001106608908 786022146 /nfs/dbraw/zinc/02/21/46/786022146.db2.gz INPMLAFSBREMIE-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106608944 786022126 /nfs/dbraw/zinc/02/21/26/786022126.db2.gz KCFOPLSPTQBTGQ-VXGBXAGGSA-N 1 0 349.453 -1.393 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001106609129 786021949 /nfs/dbraw/zinc/02/19/49/786021949.db2.gz NUWBKRSFNOXFJS-JHJVBQTASA-N 1 0 343.424 -1.288 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC001106609130 786022270 /nfs/dbraw/zinc/02/22/70/786022270.db2.gz NUWBKRSFNOXFJS-UPJWGTAASA-N 1 0 343.424 -1.288 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001106609162 786021926 /nfs/dbraw/zinc/02/19/26/786021926.db2.gz PKXGKHKLOSSROP-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001106609191 786021904 /nfs/dbraw/zinc/02/19/04/786021904.db2.gz RCJQGASHUYKAJL-GRYCIOLGSA-N 1 0 326.397 -1.692 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001106609192 786021827 /nfs/dbraw/zinc/02/18/27/786021827.db2.gz RCJQGASHUYKAJL-IJLUTSLNSA-N 1 0 326.397 -1.692 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106609198 786021915 /nfs/dbraw/zinc/02/19/15/786021915.db2.gz RHXIALCHMDWJIN-GHMZBOCLSA-N 1 0 341.412 -1.362 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001106609210 786021850 /nfs/dbraw/zinc/02/18/50/786021850.db2.gz RRZDPDUSQAKMPE-UTUOFQBUSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106609501 786021833 /nfs/dbraw/zinc/02/18/33/786021833.db2.gz CJAWKRBIDHGMBN-KXUCPTDWSA-N 1 0 339.396 -1.481 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106609502 786022169 /nfs/dbraw/zinc/02/21/69/786022169.db2.gz CJAWKRBIDHGMBN-OPRDCNLKSA-N 1 0 339.396 -1.481 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106609600 786022071 /nfs/dbraw/zinc/02/20/71/786022071.db2.gz GDZGAYBRWXQRKI-GHMZBOCLSA-N 1 0 346.453 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106609893 786021787 /nfs/dbraw/zinc/02/17/87/786021787.db2.gz UETMERQEDNJQGV-VXGBXAGGSA-N 1 0 337.424 -1.039 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106611673 786021784 /nfs/dbraw/zinc/02/17/84/786021784.db2.gz ACMYGPSEOMEUOC-GMTAPVOTSA-N 1 0 341.412 -1.222 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106611674 786021744 /nfs/dbraw/zinc/02/17/44/786021744.db2.gz ACMYGPSEOMEUOC-OUAUKWLOSA-N 1 0 341.412 -1.222 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001106611898 786021885 /nfs/dbraw/zinc/02/18/85/786021885.db2.gz GDEVUWYNSRSYBL-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001106611960 786022189 /nfs/dbraw/zinc/02/21/89/786022189.db2.gz JEDQTYWEDDOPEE-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106612111 786021943 /nfs/dbraw/zinc/02/19/43/786021943.db2.gz LPCROSWNGLQION-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106612153 786022282 /nfs/dbraw/zinc/02/22/82/786022282.db2.gz NDBWXRLGHMKRIS-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n(C)n1 ZINC001106612330 786022059 /nfs/dbraw/zinc/02/20/59/786022059.db2.gz SZJLPSNCRFZRFW-MWLCHTKSSA-N 1 0 336.396 -1.164 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001106612387 786022216 /nfs/dbraw/zinc/02/22/16/786022216.db2.gz ULWPKBQFQDIFGX-GRYCIOLGSA-N 1 0 348.469 -1.126 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001106612388 786022257 /nfs/dbraw/zinc/02/22/57/786022257.db2.gz ULWPKBQFQDIFGX-IJLUTSLNSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001106612427 786021866 /nfs/dbraw/zinc/02/18/66/786021866.db2.gz WNENZVKYXAFVNB-KXUCPTDWSA-N 1 0 339.396 -1.468 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001106612428 786021894 /nfs/dbraw/zinc/02/18/94/786021894.db2.gz WNENZVKYXAFVNB-OPRDCNLKSA-N 1 0 339.396 -1.468 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106612431 786022212 /nfs/dbraw/zinc/02/22/12/786022212.db2.gz WQQVUHIKLICBNU-IJLUTSLNSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106612432 786021761 /nfs/dbraw/zinc/02/17/61/786021761.db2.gz WQQVUHIKLICBNU-UTUOFQBUSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001106612609 786022247 /nfs/dbraw/zinc/02/22/47/786022247.db2.gz FPLRVTSQXHYCHR-NXEZZACHSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001106612615 786022286 /nfs/dbraw/zinc/02/22/86/786022286.db2.gz FYEORDKRXOBKEN-GHMZBOCLSA-N 1 0 326.397 -1.549 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 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333.392 -1.133 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001106612960 786022273 /nfs/dbraw/zinc/02/22/73/786022273.db2.gz UQHORUWVRAOUHN-NXEZZACHSA-N 1 0 325.369 -2.886 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106614288 786022198 /nfs/dbraw/zinc/02/21/98/786022198.db2.gz DMLLIYXRAYKGFL-HTQZYQBOSA-N 1 0 326.382 -1.354 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106614315 786022026 /nfs/dbraw/zinc/02/20/26/786022026.db2.gz FKWRMFZFRDJUCJ-GHMZBOCLSA-N 1 0 331.438 -1.019 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106614330 786022002 /nfs/dbraw/zinc/02/20/02/786022002.db2.gz GHAHVRDQDSMRBH-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)s1 ZINC001106614380 786022796 /nfs/dbraw/zinc/02/27/96/786022796.db2.gz ISZZPZMLRZSXIO-VXNVDRBHSA-N 1 0 340.409 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1 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DUUDNCOYLOMNLJ-UTUOFQBUSA-N 1 0 344.412 -1.213 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106644159 786022944 /nfs/dbraw/zinc/02/29/44/786022944.db2.gz RILBDLUXULYIOX-UTUOFQBUSA-N 1 0 341.412 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C[NH2+]CCCO ZINC001106652856 786022641 /nfs/dbraw/zinc/02/26/41/786022641.db2.gz MBNKKLHVIQMRGE-NXEZZACHSA-N 1 0 345.425 -1.263 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC001106652870 786022818 /nfs/dbraw/zinc/02/28/18/786022818.db2.gz NCFNWZQVBBSOAS-KXUCPTDWSA-N 1 0 345.425 -1.264 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC001106652871 786022562 /nfs/dbraw/zinc/02/25/62/786022562.db2.gz NCFNWZQVBBSOAS-OPRDCNLKSA-N 1 0 345.425 -1.264 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106652943 786022660 /nfs/dbraw/zinc/02/26/60/786022660.db2.gz QDRGPIZKITWLED-HTQZYQBOSA-N 1 0 344.397 -2.160 20 0 EAADRO C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106652945 786022839 /nfs/dbraw/zinc/02/28/39/786022839.db2.gz QKSDQOGXPZQGQE-GHMZBOCLSA-N 1 0 349.391 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C[NH2+]CCO ZINC001106653084 786022746 /nfs/dbraw/zinc/02/27/46/786022746.db2.gz XIPMZOANSPXBPI-RKDXNWHRSA-N 1 0 331.398 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106660821 786022451 /nfs/dbraw/zinc/02/24/51/786022451.db2.gz BZIMJWMIVGTUFB-FCHSOHFDSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106660822 786022583 /nfs/dbraw/zinc/02/25/83/786022583.db2.gz BZIMJWMIVGTUFB-IQMDTDKHSA-N 1 0 339.396 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C[NH2+]CC(N)=O ZINC001106661145 786023025 /nfs/dbraw/zinc/02/30/25/786023025.db2.gz LAJBHVYWSYZXCK-FVCCEPFGSA-N 1 0 340.424 -1.208 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001106663311 786022650 /nfs/dbraw/zinc/02/26/50/786022650.db2.gz BMHVHODWVLWVKU-WISYIIOYSA-N 1 0 326.397 -1.551 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106663337 786022913 /nfs/dbraw/zinc/02/29/13/786022913.db2.gz DDDMPTFMJVXGAE-FVCCEPFGSA-N 1 0 340.424 -1.208 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001106663629 786022376 /nfs/dbraw/zinc/02/23/76/786022376.db2.gz NUQLUHDMLUQULZ-FVCCEPFGSA-N 1 0 340.424 -1.161 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CCOCCO ZINC001106664139 786022722 /nfs/dbraw/zinc/02/27/22/786022722.db2.gz ZWGLCXHYMMNLPQ-YIYPIFLZSA-N 1 0 343.424 -1.288 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106667931 786023129 /nfs/dbraw/zinc/02/31/29/786023129.db2.gz CPZUPMNFYQXUIF-KKOKHZNYSA-N 1 0 346.453 -1.659 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106667950 786023218 /nfs/dbraw/zinc/02/32/18/786023218.db2.gz DKSPWLKYCFWEKM-KYXWUPHJSA-N 1 0 325.369 -2.013 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106668852 786023405 /nfs/dbraw/zinc/02/34/05/786023405.db2.gz QQQJQJMRDVTDDM-KKOKHZNYSA-N 1 0 331.438 -1.164 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001106669104 786023336 /nfs/dbraw/zinc/02/33/36/786023336.db2.gz WYTBHIZGKBJAQI-DBIOUOCHSA-N 1 0 339.396 -1.753 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106669151 786023506 /nfs/dbraw/zinc/02/35/06/786023506.db2.gz YSCRQHKUERQKNM-LPWJVIDDSA-N 1 0 337.424 -1.183 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106678028 786023244 /nfs/dbraw/zinc/02/32/44/786023244.db2.gz UJNSETASLYYWIH-NXEZZACHSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106682394 786023264 /nfs/dbraw/zinc/02/32/64/786023264.db2.gz HKUCMKVXOYUAMD-GRYCIOLGSA-N 1 0 335.412 -1.205 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106682395 786023503 /nfs/dbraw/zinc/02/35/03/786023503.db2.gz HKUCMKVXOYUAMD-IJLUTSLNSA-N 1 0 335.412 -1.205 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C[NH2+]CC(N)=O ZINC001106687856 786023628 /nfs/dbraw/zinc/02/36/28/786023628.db2.gz ADHPXSSKZGQYDC-DGCLKSJQSA-N 1 0 333.392 -1.019 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106690765 786023286 /nfs/dbraw/zinc/02/32/86/786023286.db2.gz NCRPIOHCLOFAQE-JLLWLGSASA-N 1 0 341.412 -1.220 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106690766 786023649 /nfs/dbraw/zinc/02/36/49/786023649.db2.gz NCRPIOHCLOFAQE-YUSALJHKSA-N 1 0 341.412 -1.220 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106701915 786023138 /nfs/dbraw/zinc/02/31/38/786023138.db2.gz MGHOLKIIRSJSBR-GRYCIOLGSA-N 1 0 348.469 -1.304 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106701916 786023458 /nfs/dbraw/zinc/02/34/58/786023458.db2.gz MGHOLKIIRSJSBR-IJLUTSLNSA-N 1 0 348.469 -1.304 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001106702051 786023382 /nfs/dbraw/zinc/02/33/82/786023382.db2.gz SQXCAGNTWKLBIH-GMTAPVOTSA-N 1 0 334.442 -1.646 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001106702052 786023463 /nfs/dbraw/zinc/02/34/63/786023463.db2.gz SQXCAGNTWKLBIH-OUAUKWLOSA-N 1 0 334.442 -1.646 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001106703348 786023108 /nfs/dbraw/zinc/02/31/08/786023108.db2.gz JOFVFAZSZOGQFP-GRYCIOLGSA-N 1 0 348.469 -1.256 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001106703373 786023256 /nfs/dbraw/zinc/02/32/56/786023256.db2.gz JOFVFAZSZOGQFP-IJLUTSLNSA-N 1 0 348.469 -1.256 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001106707994 786023317 /nfs/dbraw/zinc/02/33/17/786023317.db2.gz GAOMBWILEGFOTR-KKOKHZNYSA-N 1 0 342.396 -1.724 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001106707995 786023158 /nfs/dbraw/zinc/02/31/58/786023158.db2.gz GAOMBWILEGFOTR-WYUUTHIRSA-N 1 0 342.396 -1.724 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106708182 786023642 /nfs/dbraw/zinc/02/36/42/786023642.db2.gz KTDLSEOAMHIFAP-UTUOFQBUSA-N 1 0 349.395 -1.440 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106708343 786023547 /nfs/dbraw/zinc/02/35/47/786023547.db2.gz PHXKYESZSFKTCM-MXWKQRLJSA-N 1 0 339.396 -1.643 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001106708468 786023632 /nfs/dbraw/zinc/02/36/32/786023632.db2.gz VLSHXWLPEFWUSL-MXWKQRLJSA-N 1 0 339.396 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C[NH2+]CCOCCO ZINC001106708481 786023416 /nfs/dbraw/zinc/02/34/16/786023416.db2.gz WGLHAESEFUPRSS-UTUOFQBUSA-N 1 0 342.396 -1.723 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001106708572 786023341 /nfs/dbraw/zinc/02/33/41/786023341.db2.gz ZFKMAHGCHDHXDD-BBBLOLIVSA-N 1 0 325.369 -1.985 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001106710625 786023542 /nfs/dbraw/zinc/02/35/42/786023542.db2.gz ODYHIKFXOZXXQS-GMTAPVOTSA-N 1 0 349.457 -2.060 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001106710626 786023446 /nfs/dbraw/zinc/02/34/46/786023446.db2.gz ODYHIKFXOZXXQS-OUAUKWLOSA-N 1 0 349.457 -2.060 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C ZINC001106710647 786023375 /nfs/dbraw/zinc/02/33/75/786023375.db2.gz PDEWJCQKWVVGSP-VXGBXAGGSA-N 1 0 336.458 -1.287 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CCCO ZINC001106710814 786023493 /nfs/dbraw/zinc/02/34/93/786023493.db2.gz XISSMRJOJQVUKC-VXGBXAGGSA-N 1 0 336.458 -1.551 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C ZINC001106710831 786023634 /nfs/dbraw/zinc/02/36/34/786023634.db2.gz XOXWXHVSBVESHY-GHMZBOCLSA-N 1 0 349.457 -2.188 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106712668 786023438 /nfs/dbraw/zinc/02/34/38/786023438.db2.gz HGEFGBHMVKUQMF-NXEZZACHSA-N 1 0 335.430 -2.448 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C ZINC001106712740 786023170 /nfs/dbraw/zinc/02/31/70/786023170.db2.gz JVGVCKVKHHCJPN-GRYCIOLGSA-N 1 0 336.458 -1.553 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C ZINC001106712741 786023379 /nfs/dbraw/zinc/02/33/79/786023379.db2.gz JVGVCKVKHHCJPN-IJLUTSLNSA-N 1 0 336.458 -1.553 20 0 EAADRO C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106720924 786023370 /nfs/dbraw/zinc/02/33/70/786023370.db2.gz MXPRLZLBRCMALQ-ZYHUDNBSSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC001106721367 786023595 /nfs/dbraw/zinc/02/35/95/786023595.db2.gz CXZCXNXUPYIOJJ-GRYCIOLGSA-N 1 0 338.408 -1.238 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC001106721368 786023498 /nfs/dbraw/zinc/02/34/98/786023498.db2.gz CXZCXNXUPYIOJJ-IJLUTSLNSA-N 1 0 338.408 -1.238 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106721396 786023123 /nfs/dbraw/zinc/02/31/23/786023123.db2.gz FFSGBACTZJYOHU-GHMZBOCLSA-N 1 0 347.379 -1.940 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC001106721515 786023221 /nfs/dbraw/zinc/02/32/21/786023221.db2.gz IJRWSCHWFUXBLA-FRRDWIJNSA-N 1 0 348.407 -1.044 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC001106721520 786024182 /nfs/dbraw/zinc/02/41/82/786024182.db2.gz IJRWSCHWFUXBLA-JHJVBQTASA-N 1 0 348.407 -1.044 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C[NH2+]CCO ZINC001106721987 786024211 /nfs/dbraw/zinc/02/42/11/786024211.db2.gz PECVOCSPVDMFGX-VXGBXAGGSA-N 1 0 334.380 -1.433 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C[NH2+]CCCO ZINC001106722318 786023671 /nfs/dbraw/zinc/02/36/71/786023671.db2.gz UIAJTKUYNJCHNR-CHWSQXEVSA-N 1 0 348.407 -1.043 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106722393 786023176 /nfs/dbraw/zinc/02/31/76/786023176.db2.gz XQABKGABAITMDG-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH2+]CCCO ZINC001106722413 786023525 /nfs/dbraw/zinc/02/35/25/786023525.db2.gz YONZSCQFFSMLMV-VXGBXAGGSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106722414 786023476 /nfs/dbraw/zinc/02/34/76/786023476.db2.gz YPBUTSGQQGNGST-NXEZZACHSA-N 1 0 337.380 -2.133 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001106723049 786024341 /nfs/dbraw/zinc/02/43/41/786024341.db2.gz CZUYATORWOTQEU-GMTAPVOTSA-N 1 0 340.380 -1.528 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001106723050 786023760 /nfs/dbraw/zinc/02/37/60/786023760.db2.gz CZUYATORWOTQEU-OUAUKWLOSA-N 1 0 340.380 -1.528 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001106723330 786024297 /nfs/dbraw/zinc/02/42/97/786024297.db2.gz GDZVHUMNWIQRGK-GHMZBOCLSA-N 1 0 340.380 -1.263 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001106723859 786023707 /nfs/dbraw/zinc/02/37/07/786023707.db2.gz QYHNBRKQCVZNBY-NXEZZACHSA-N 1 0 326.353 -1.917 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C[NH2+]CCCO ZINC001106724055 786024363 /nfs/dbraw/zinc/02/43/63/786024363.db2.gz ZWAMQOQWLWFNSN-GHMZBOCLSA-N 1 0 340.380 -1.527 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106724056 786023825 /nfs/dbraw/zinc/02/38/25/786023825.db2.gz ZWGXVPYRGDLXTB-RKDXNWHRSA-N 1 0 339.352 -2.424 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106724235 786024209 /nfs/dbraw/zinc/02/42/09/786024209.db2.gz FOLDQTBITJBFEM-GRYCIOLGSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106724236 786023705 /nfs/dbraw/zinc/02/37/05/786023705.db2.gz FOLDQTBITJBFEM-IJLUTSLNSA-N 1 0 331.438 -1.019 20 0 EAADRO COCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106726134 786024206 /nfs/dbraw/zinc/02/42/06/786024206.db2.gz CQFHAJWBMPELIG-GRYCIOLGSA-N 1 0 344.412 -1.083 20 0 EAADRO COCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106726135 786024049 /nfs/dbraw/zinc/02/40/49/786024049.db2.gz CQFHAJWBMPELIG-IJLUTSLNSA-N 1 0 344.412 -1.083 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)C(N)=O ZINC001106735577 786024838 /nfs/dbraw/zinc/02/48/38/786024838.db2.gz BZKJHPLSTGCRCP-IEBDPFPHSA-N 1 0 327.385 -2.464 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C ZINC001106736320 786024489 /nfs/dbraw/zinc/02/44/89/786024489.db2.gz NCYDPOQVQZACDG-RTXFEEFZSA-N 1 0 328.413 -1.303 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C ZINC001106736685 786024520 /nfs/dbraw/zinc/02/45/20/786024520.db2.gz PSGWHQJXAFGGPT-JLLWLGSASA-N 1 0 341.412 -2.203 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1)C(N)=O ZINC001106736936 786024461 /nfs/dbraw/zinc/02/44/61/786024461.db2.gz WMLIERAEVOFJJM-RTXFEEFZSA-N 1 0 328.413 -1.567 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001106740786 786024823 /nfs/dbraw/zinc/02/48/23/786024823.db2.gz ACRKCXTUNOGUJO-GHMZBOCLSA-N 1 0 338.412 -1.229 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)C(C)C ZINC001106742104 786024620 /nfs/dbraw/zinc/02/46/20/786024620.db2.gz VAEPLIRGGHRDJS-JMSVASOKSA-N 1 0 342.440 -1.057 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106742549 786024427 /nfs/dbraw/zinc/02/44/27/786024427.db2.gz GWHSULFOUIEIMH-GMTAPVOTSA-N 1 0 341.412 -1.268 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106742550 786024453 /nfs/dbraw/zinc/02/44/53/786024453.db2.gz GWHSULFOUIEIMH-OUAUKWLOSA-N 1 0 341.412 -1.268 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106742682 786024471 /nfs/dbraw/zinc/02/44/71/786024471.db2.gz MMQGRRBESODNDT-NXEZZACHSA-N 1 0 327.385 -1.656 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106742691 786024437 /nfs/dbraw/zinc/02/44/37/786024437.db2.gz MXMOVCYVBYIKTM-IJLUTSLNSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106742692 786024615 /nfs/dbraw/zinc/02/46/15/786024615.db2.gz MXMOVCYVBYIKTM-UTUOFQBUSA-N 1 0 338.408 -1.046 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001106742907 786024631 /nfs/dbraw/zinc/02/46/31/786024631.db2.gz XJEHJPYATZIUDX-GHMZBOCLSA-N 1 0 341.412 -1.396 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001106743202 786024765 /nfs/dbraw/zinc/02/47/65/786024765.db2.gz CFJWXYKLLWCTDJ-GMTAPVOTSA-N 1 0 348.469 -1.128 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001106743203 786024677 /nfs/dbraw/zinc/02/46/77/786024677.db2.gz CFJWXYKLLWCTDJ-OUAUKWLOSA-N 1 0 348.469 -1.128 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001106743463 786024870 /nfs/dbraw/zinc/02/48/70/786024870.db2.gz MAPCZGMMNQSDJN-GHMZBOCLSA-N 1 0 348.469 -1.256 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106743481 786024861 /nfs/dbraw/zinc/02/48/61/786024861.db2.gz MRLGJSDMRAWCDL-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106743514 786024885 /nfs/dbraw/zinc/02/48/85/786024885.db2.gz OGCOAPDYZFQLFL-NXEZZACHSA-N 1 0 334.442 -1.516 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106744838 786024752 /nfs/dbraw/zinc/02/47/52/786024752.db2.gz DVOPVESGPXYJKQ-WZRBSPASSA-N 1 0 348.469 -1.270 20 0 EAADRO C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C[NH2+]CCO ZINC001106750610 786024960 /nfs/dbraw/zinc/02/49/60/786024960.db2.gz PVVGMIDTNYOGJD-CHWSQXEVSA-N 1 0 338.412 -1.145 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001106751675 786024550 /nfs/dbraw/zinc/02/45/50/786024550.db2.gz LPIMFMCZTBYBAO-IJLUTSLNSA-N 1 0 346.453 -1.550 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001106751676 786024515 /nfs/dbraw/zinc/02/45/15/786024515.db2.gz LPIMFMCZTBYBAO-UTUOFQBUSA-N 1 0 346.453 -1.550 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106752170 786024553 /nfs/dbraw/zinc/02/45/53/786024553.db2.gz QNWYEKNDWUPGRU-GMTAPVOTSA-N 1 0 332.426 -1.810 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106752174 786024636 /nfs/dbraw/zinc/02/46/36/786024636.db2.gz QNWYEKNDWUPGRU-MXWKQRLJSA-N 1 0 332.426 -1.810 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106752708 786024812 /nfs/dbraw/zinc/02/48/12/786024812.db2.gz HJZQGZXGXZNZTA-DZIUIEAZSA-N 1 0 337.380 -1.856 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106754622 786024612 /nfs/dbraw/zinc/02/46/12/786024612.db2.gz DIQLMJLNFROMHQ-GMTAPVOTSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106754623 786024497 /nfs/dbraw/zinc/02/44/97/786024497.db2.gz DIQLMJLNFROMHQ-MXWKQRLJSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)CC1 ZINC001106759525 786024658 /nfs/dbraw/zinc/02/46/58/786024658.db2.gz XZRFHCWUXQQHKK-GHMZBOCLSA-N 1 0 335.412 -1.080 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106759890 786024618 /nfs/dbraw/zinc/02/46/18/786024618.db2.gz CYNKXVMKRLZYCC-ZYHUDNBSSA-N 1 0 338.408 -1.189 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001106760023 786025380 /nfs/dbraw/zinc/02/53/80/786025380.db2.gz KJWUHKXGSMQODW-CKYFFXLPSA-N 1 0 338.408 -1.142 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001106760024 786025517 /nfs/dbraw/zinc/02/55/17/786025517.db2.gz KJWUHKXGSMQODW-JFGNBEQYSA-N 1 0 338.408 -1.142 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001106760095 786025232 /nfs/dbraw/zinc/02/52/32/786025232.db2.gz PCUJKTQTOFMRNB-ZYHUDNBSSA-N 1 0 338.408 -1.141 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(N)=O ZINC001106760137 786025431 /nfs/dbraw/zinc/02/54/31/786025431.db2.gz QZGMVDDAHLCAOS-JLLWLGSASA-N 1 0 338.408 -1.013 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(N)=O ZINC001106760138 786025417 /nfs/dbraw/zinc/02/54/17/786025417.db2.gz QZGMVDDAHLCAOS-YUSALJHKSA-N 1 0 338.408 -1.013 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)CC1 ZINC001106760157 786025548 /nfs/dbraw/zinc/02/55/48/786025548.db2.gz SAYSWQLEPLFUOU-NXEZZACHSA-N 1 0 339.396 -1.608 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001106760200 786025452 /nfs/dbraw/zinc/02/54/52/786025452.db2.gz VCXXRDGYQOIGJI-RAIGVLPGSA-N 1 0 341.408 -1.269 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001106760201 786025199 /nfs/dbraw/zinc/02/51/99/786025199.db2.gz VCXXRDGYQOIGJI-RTXFEEFZSA-N 1 0 341.408 -1.269 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C[NH2+]CCOCCO ZINC001106760239 786025086 /nfs/dbraw/zinc/02/50/86/786025086.db2.gz WHPYQDZMBSWYIP-DGCLKSJQSA-N 1 0 341.408 -1.268 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106761817 786024533 /nfs/dbraw/zinc/02/45/33/786024533.db2.gz UVZNVRJTMGXEPX-GHMZBOCLSA-N 1 0 344.441 -1.338 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106761834 786024832 /nfs/dbraw/zinc/02/48/32/786024832.db2.gz VXYCOXOUXZROFY-GHMZBOCLSA-N 1 0 349.395 -1.335 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001106761893 786024543 /nfs/dbraw/zinc/02/45/43/786024543.db2.gz ZHQYQTXTGPKPOV-NXEZZACHSA-N 1 0 337.384 -1.432 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C)C(=O)NC(N)=O ZINC001106763690 786025243 /nfs/dbraw/zinc/02/52/43/786025243.db2.gz OCVCRRVOHZLYKC-KXUCPTDWSA-N 1 0 337.384 -1.304 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C)C(=O)NC(N)=O ZINC001106763691 786025237 /nfs/dbraw/zinc/02/52/37/786025237.db2.gz OCVCRRVOHZLYKC-OPRDCNLKSA-N 1 0 337.384 -1.304 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106769404 786025251 /nfs/dbraw/zinc/02/52/51/786025251.db2.gz UKWBRZKFBYKTAT-MWLCHTKSSA-N 1 0 341.412 -1.220 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001106769566 786025408 /nfs/dbraw/zinc/02/54/08/786025408.db2.gz AUWQSOAQDYHDRE-BNOWGMLFSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001106769567 786025209 /nfs/dbraw/zinc/02/52/09/786025209.db2.gz AUWQSOAQDYHDRE-MRVWCRGKSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106769583 786025457 /nfs/dbraw/zinc/02/54/57/786025457.db2.gz BYBKJSSNERRAOS-GHMZBOCLSA-N 1 0 337.380 -1.904 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C ZINC001106769712 786025474 /nfs/dbraw/zinc/02/54/74/786025474.db2.gz HZMGBPFEEVNVLB-FRRDWIJNSA-N 1 0 338.408 -1.008 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C ZINC001106769713 786025260 /nfs/dbraw/zinc/02/52/60/786025260.db2.gz HZMGBPFEEVNVLB-JHJVBQTASA-N 1 0 338.408 -1.008 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106770054 786025319 /nfs/dbraw/zinc/02/53/19/786025319.db2.gz RYVXVAYEJFYOKI-JLLWLGSASA-N 1 0 341.412 -2.074 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106770055 786025166 /nfs/dbraw/zinc/02/51/66/786025166.db2.gz RYVXVAYEJFYOKI-YUSALJHKSA-N 1 0 341.412 -2.074 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C[NH2+]CCCO ZINC001106770113 786025425 /nfs/dbraw/zinc/02/54/25/786025425.db2.gz SLKTYSZWJYPTNK-CHWSQXEVSA-N 1 0 338.408 -1.007 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106770157 786025293 /nfs/dbraw/zinc/02/52/93/786025293.db2.gz VNRUHJQPATXSPR-RAIGVLPGSA-N 1 0 328.413 -1.567 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106770158 786025102 /nfs/dbraw/zinc/02/51/02/786025102.db2.gz VNRUHJQPATXSPR-RTXFEEFZSA-N 1 0 328.413 -1.567 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106772161 786025315 /nfs/dbraw/zinc/02/53/15/786025315.db2.gz JRMGLQAHVMYJHP-GHMZBOCLSA-N 1 0 339.396 -1.690 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106772163 786025402 /nfs/dbraw/zinc/02/54/02/786025402.db2.gz JRWMWPOJRRLXIY-VXGBXAGGSA-N 1 0 349.395 -1.486 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001106772259 786025109 /nfs/dbraw/zinc/02/51/09/786025109.db2.gz LNZPVRQEOUBZIE-KXUCPTDWSA-N 1 0 325.369 -1.904 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001106772261 786025419 /nfs/dbraw/zinc/02/54/19/786025419.db2.gz LNZPVRQEOUBZIE-OPRDCNLKSA-N 1 0 325.369 -1.904 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001106772290 786025492 /nfs/dbraw/zinc/02/54/92/786025492.db2.gz LWTNISXDVVVPTL-NXEZZACHSA-N 1 0 325.369 -2.032 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001106772361 786025156 /nfs/dbraw/zinc/02/51/56/786025156.db2.gz MJIAPDURMMBODB-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001106772363 786025487 /nfs/dbraw/zinc/02/54/87/786025487.db2.gz MJIAPDURMMBODB-MXWKQRLJSA-N 1 0 339.396 -1.514 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001106772500 786025278 /nfs/dbraw/zinc/02/52/78/786025278.db2.gz NVYGJOZALAOHAZ-GMTAPVOTSA-N 1 0 339.396 -1.643 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001106772504 786025482 /nfs/dbraw/zinc/02/54/82/786025482.db2.gz NVYGJOZALAOHAZ-OUAUKWLOSA-N 1 0 339.396 -1.643 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001106772566 786025347 /nfs/dbraw/zinc/02/53/47/786025347.db2.gz PZMKUUBZWSVDHB-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001106772761 786025184 /nfs/dbraw/zinc/02/51/84/786025184.db2.gz UDPNUKMXLKCVOV-IJLUTSLNSA-N 1 0 342.396 -1.770 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001106772764 786025274 /nfs/dbraw/zinc/02/52/74/786025274.db2.gz UDPNUKMXLKCVOV-UTUOFQBUSA-N 1 0 342.396 -1.770 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]CCOCCO ZINC001106772877 786025538 /nfs/dbraw/zinc/02/55/38/786025538.db2.gz XHINMRSXCMTHKS-VXGBXAGGSA-N 1 0 342.396 -1.769 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001106778245 786025018 /nfs/dbraw/zinc/02/50/18/786025018.db2.gz ANPSPQTZYRZLQS-GHMZBOCLSA-N 1 0 349.395 -1.939 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106778258 786025543 /nfs/dbraw/zinc/02/55/43/786025543.db2.gz BBBHHQOIJKNKHD-GHMZBOCLSA-N 1 0 344.441 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106778835 786025203 /nfs/dbraw/zinc/02/52/03/786025203.db2.gz UGWJKZYGPNRWEH-DGCLKSJQSA-N 1 0 340.424 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106779371 786025284 /nfs/dbraw/zinc/02/52/84/786025284.db2.gz LLYPHWXFFODMFC-VXGBXAGGSA-N 1 0 336.396 -1.039 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001106779625 786025215 /nfs/dbraw/zinc/02/52/15/786025215.db2.gz UAHGFVHXGOIWPN-NXEZZACHSA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106781717 786025117 /nfs/dbraw/zinc/02/51/17/786025117.db2.gz HBUVIBZYZUOTMX-NXEZZACHSA-N 1 0 335.368 -1.346 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106781827 786025401 /nfs/dbraw/zinc/02/54/01/786025401.db2.gz JMAZXTYLOGQCOW-NXEZZACHSA-N 1 0 330.414 -1.348 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001106781915 786025267 /nfs/dbraw/zinc/02/52/67/786025267.db2.gz LNMJLZOGXPTMCB-KXUCPTDWSA-N 1 0 337.384 -1.054 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001106781916 786025075 /nfs/dbraw/zinc/02/50/75/786025075.db2.gz LNMJLZOGXPTMCB-OPRDCNLKSA-N 1 0 337.384 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106784335 786025376 /nfs/dbraw/zinc/02/53/76/786025376.db2.gz HQEVBRVPSQLXLE-NXEZZACHSA-N 1 0 336.352 -1.081 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106784713 786025469 /nfs/dbraw/zinc/02/54/69/786025469.db2.gz LMRBERYTLYUAGZ-NXEZZACHSA-N 1 0 331.398 -1.084 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106795712 786025634 /nfs/dbraw/zinc/02/56/34/786025634.db2.gz DKEZVWCYFAQMSV-VXGBXAGGSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106795894 786025714 /nfs/dbraw/zinc/02/57/14/786025714.db2.gz HYRCYNHROCDDJY-CHWSQXEVSA-N 1 0 335.412 -1.020 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106796189 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20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106811918 786026229 /nfs/dbraw/zinc/02/62/29/786026229.db2.gz VNNVOLHYRDQLIG-MWLCHTKSSA-N 1 0 339.396 -1.608 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)nn1 ZINC001106813152 786026374 /nfs/dbraw/zinc/02/63/74/786026374.db2.gz PQBHSMFXNDQOQV-NXEZZACHSA-N 1 0 337.384 -1.209 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C ZINC001106819193 786026783 /nfs/dbraw/zinc/02/67/83/786026783.db2.gz HJRVMFULSSXNOG-VXGBXAGGSA-N 1 0 338.412 -1.238 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106820758 786026865 /nfs/dbraw/zinc/02/68/65/786026865.db2.gz BIZKEWUAJKCWEG-PSASIEDQSA-N 1 0 338.368 -1.200 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C)C(N)=O ZINC001106820821 786026847 /nfs/dbraw/zinc/02/68/47/786026847.db2.gz FIXDIIKEXUIMAU-GRYCIOLGSA-N 1 0 338.412 -1.110 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C)C(N)=O ZINC001106820822 786026942 /nfs/dbraw/zinc/02/69/42/786026942.db2.gz FIXDIIKEXUIMAU-IJLUTSLNSA-N 1 0 338.412 -1.110 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C ZINC001106820909 786026914 /nfs/dbraw/zinc/02/69/14/786026914.db2.gz IEDPDWGWOZNNRB-VXGBXAGGSA-N 1 0 338.412 -1.238 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106822913 786026960 /nfs/dbraw/zinc/02/69/60/786026960.db2.gz POMAAYYRSRWJQQ-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106822979 786027051 /nfs/dbraw/zinc/02/70/51/786027051.db2.gz SHGCCWXSUPOPEJ-GRYCIOLGSA-N 1 0 348.469 -1.174 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106822980 786027010 /nfs/dbraw/zinc/02/70/10/786027010.db2.gz SHGCCWXSUPOPEJ-IJLUTSLNSA-N 1 0 348.469 -1.174 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106822992 786026793 /nfs/dbraw/zinc/02/67/93/786026793.db2.gz TZNKSNTTWPWHME-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C)C(N)=O ZINC001106824905 786027042 /nfs/dbraw/zinc/02/70/42/786027042.db2.gz OVJOEIQGWMRKFO-GRYCIOLGSA-N 1 0 338.412 -1.110 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C)C(N)=O ZINC001106824906 786026829 /nfs/dbraw/zinc/02/68/29/786026829.db2.gz OVJOEIQGWMRKFO-IJLUTSLNSA-N 1 0 338.412 -1.110 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C[NH2+]CCO ZINC001106834731 786027038 /nfs/dbraw/zinc/02/70/38/786027038.db2.gz ODFOAFMSUYJSOD-GHMZBOCLSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106834784 786026802 /nfs/dbraw/zinc/02/68/02/786026802.db2.gz QWGSKFKYRKRVES-NXEZZACHSA-N 1 0 339.396 -1.514 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC001106843374 786026789 /nfs/dbraw/zinc/02/67/89/786026789.db2.gz BMUILNYZWZPGRL-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106843407 786026778 /nfs/dbraw/zinc/02/67/78/786026778.db2.gz CXUALPNSVWMYNI-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C[NH2+]CCCO ZINC001106843750 786026868 /nfs/dbraw/zinc/02/68/68/786026868.db2.gz JUXVSCOFNJSKIC-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001106843810 786026975 /nfs/dbraw/zinc/02/69/75/786026975.db2.gz MBZWJFIANZAWLF-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001106843811 786026860 /nfs/dbraw/zinc/02/68/60/786026860.db2.gz MBZWJFIANZAWLF-OUAUKWLOSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC001106844007 786027046 /nfs/dbraw/zinc/02/70/46/786027046.db2.gz QTWFLIFKOSSIKO-GRYCIOLGSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC001106844008 786026966 /nfs/dbraw/zinc/02/69/66/786026966.db2.gz QTWFLIFKOSSIKO-IJLUTSLNSA-N 1 0 326.397 -1.007 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106851257 786026920 /nfs/dbraw/zinc/02/69/20/786026920.db2.gz MYLCTIBHYVEWKS-VXGBXAGGSA-N 1 0 344.412 -1.082 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106852438 786026926 /nfs/dbraw/zinc/02/69/26/786026926.db2.gz KVXLAEFXYVTCJO-GRYCIOLGSA-N 1 0 339.400 -2.146 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C[NH2+]CCF)[C@H](C)C1 ZINC001106852722 786026824 /nfs/dbraw/zinc/02/68/24/786026824.db2.gz PBPRNLZDUYEJNN-GRYCIOLGSA-N 1 0 341.391 -1.169 20 0 EAADRO C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106854698 786026843 /nfs/dbraw/zinc/02/68/43/786026843.db2.gz PDCTYENFSVNYIO-GHMZBOCLSA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106857803 786027332 /nfs/dbraw/zinc/02/73/32/786027332.db2.gz JGSXWZAVVOPMNP-GHMZBOCLSA-N 1 0 349.395 -1.417 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106857989 786027416 /nfs/dbraw/zinc/02/74/16/786027416.db2.gz RWUOEWJEQDVZTJ-GHMZBOCLSA-N 1 0 344.441 -1.420 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001106859175 786026947 /nfs/dbraw/zinc/02/69/47/786026947.db2.gz XRYUKCKJDTWNMS-NXEZZACHSA-N 1 0 337.384 -1.513 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106861872 786027303 /nfs/dbraw/zinc/02/73/03/786027303.db2.gz KVXLAEFXYVTCJO-IJLUTSLNSA-N 1 0 339.400 -2.146 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C[NH2+]CCF)[C@H](C)C1 ZINC001106862053 786027179 /nfs/dbraw/zinc/02/71/79/786027179.db2.gz PBPRNLZDUYEJNN-IJLUTSLNSA-N 1 0 341.391 -1.169 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106870854 786027248 /nfs/dbraw/zinc/02/72/48/786027248.db2.gz CVZTXGVTQXYZFC-NXEZZACHSA-N 1 0 325.369 -1.950 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001106871145 786027484 /nfs/dbraw/zinc/02/74/84/786027484.db2.gz HXNROCGFERWSMB-GHMZBOCLSA-N 1 0 339.396 -1.690 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001106872033 786027359 /nfs/dbraw/zinc/02/73/59/786027359.db2.gz BWZZJOCRAGCOEW-GRYCIOLGSA-N 1 0 326.397 -1.055 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001106872034 786027242 /nfs/dbraw/zinc/02/72/42/786027242.db2.gz BWZZJOCRAGCOEW-IJLUTSLNSA-N 1 0 326.397 -1.055 20 0 EAADRO COc1c(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)[nH]c(=O)[nH]c1=O ZINC001106872039 786027237 /nfs/dbraw/zinc/02/72/37/786027237.db2.gz CEMPHDRIJKCKRG-HTQZYQBOSA-N 1 0 339.352 -1.321 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C[NH2+]CCCO ZINC001106872446 786027185 /nfs/dbraw/zinc/02/71/85/786027185.db2.gz TWOJPFOEYGQNRG-VXGBXAGGSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C)C(N)=O ZINC001106872584 786027277 /nfs/dbraw/zinc/02/72/77/786027277.db2.gz ZEMYBAGIUGNFBW-GMTAPVOTSA-N 1 0 339.396 -1.562 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C)C(N)=O ZINC001106872585 786027487 /nfs/dbraw/zinc/02/74/87/786027487.db2.gz ZEMYBAGIUGNFBW-OUAUKWLOSA-N 1 0 339.396 -1.562 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C[NH2+]CC(N)=O ZINC001106872751 786027336 /nfs/dbraw/zinc/02/73/36/786027336.db2.gz GJSXXRLYATTZME-RKDXNWHRSA-N 1 0 333.352 -1.799 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C)C(N)=O ZINC001106873063 786027206 /nfs/dbraw/zinc/02/72/06/786027206.db2.gz RJFASIPBZOLQOP-KXUCPTDWSA-N 1 0 347.379 -1.411 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C)C(N)=O ZINC001106873064 786027467 /nfs/dbraw/zinc/02/74/67/786027467.db2.gz RJFASIPBZOLQOP-OPRDCNLKSA-N 1 0 347.379 -1.411 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC001106873333 786027395 /nfs/dbraw/zinc/02/73/95/786027395.db2.gz YZCSBXANQZWDJK-NXEZZACHSA-N 1 0 347.379 -1.539 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106877101 786027491 /nfs/dbraw/zinc/02/74/91/786027491.db2.gz MOCDDZYNIHHLED-GHMZBOCLSA-N 1 0 336.396 -1.158 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1nnn(C)n1 ZINC001106878708 786027311 /nfs/dbraw/zinc/02/73/11/786027311.db2.gz YIUUHJFEYNNTKJ-CHWSQXEVSA-N 1 0 339.444 -1.028 20 0 EAADRO C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106890788 786029330 /nfs/dbraw/zinc/02/93/30/786029330.db2.gz GNWATGXKSFBIJU-GHMZBOCLSA-N 1 0 349.391 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106894252 786030789 /nfs/dbraw/zinc/03/07/89/786030789.db2.gz HLFOKXPDRGILEO-UTUOFQBUSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001106897330 786031295 /nfs/dbraw/zinc/03/12/95/786031295.db2.gz AAOINOTYSNWVQZ-MXWKQRLJSA-N 1 0 339.396 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106897871 786031339 /nfs/dbraw/zinc/03/13/39/786031339.db2.gz OBWGNVLJJXHWLQ-UTUOFQBUSA-N 1 0 346.453 -1.502 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106898158 786031148 /nfs/dbraw/zinc/03/11/48/786031148.db2.gz WJASAGBGVQGCJX-UPJWGTAASA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106898242 786031403 /nfs/dbraw/zinc/03/14/03/786031403.db2.gz ZVBNXYCGAKFKMY-BBBLOLIVSA-N 1 0 325.369 -1.856 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C ZINC001106903386 786033363 /nfs/dbraw/zinc/03/33/63/786033363.db2.gz OZCJWYLTVKDTFM-DGCLKSJQSA-N 1 0 335.408 -1.018 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C[NH2+]CC(N)=O ZINC001106925665 786038168 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RKZBEURXIBVCNL-IJLUTSLNSA-N 1 0 346.453 -1.550 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106934306 786038368 /nfs/dbraw/zinc/03/83/68/786038368.db2.gz RKZBEURXIBVCNL-UTUOFQBUSA-N 1 0 346.453 -1.550 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001106934340 786037985 /nfs/dbraw/zinc/03/79/85/786037985.db2.gz SAYSXULDQIUUIN-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001106934382 786038377 /nfs/dbraw/zinc/03/83/77/786038377.db2.gz VMMNWQGIMYRYLY-GHMZBOCLSA-N 1 0 334.442 -1.692 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106934393 786038286 /nfs/dbraw/zinc/03/82/86/786038286.db2.gz WIHAGLCEDULTND-VXGBXAGGSA-N 1 0 348.469 -1.350 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C ZINC001106934948 786038336 /nfs/dbraw/zinc/03/83/36/786038336.db2.gz AVSMWBNQDRHYBP-BNOWGMLFSA-N 1 0 340.424 -1.336 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C ZINC001106934949 786038133 /nfs/dbraw/zinc/03/81/33/786038133.db2.gz AVSMWBNQDRHYBP-MRVWCRGKSA-N 1 0 340.424 -1.336 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001106935025 786038263 /nfs/dbraw/zinc/03/82/63/786038263.db2.gz GBVUNDLMHUCKTA-GRYCIOLGSA-N 1 0 348.469 -1.304 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001106935026 786037990 /nfs/dbraw/zinc/03/79/90/786037990.db2.gz GBVUNDLMHUCKTA-IJLUTSLNSA-N 1 0 348.469 -1.304 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106935560 786038369 /nfs/dbraw/zinc/03/83/69/786038369.db2.gz RIZNGLJUUUAFKA-RAIGVLPGSA-N 1 0 326.397 -1.597 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106935562 786038353 /nfs/dbraw/zinc/03/83/53/786038353.db2.gz RIZNGLJUUUAFKA-RTXFEEFZSA-N 1 0 326.397 -1.597 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001106935767 786037966 /nfs/dbraw/zinc/03/79/66/786037966.db2.gz YSNDZXJDJFQZRG-IJLUTSLNSA-N 1 0 348.469 -1.174 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001106935768 786037942 /nfs/dbraw/zinc/03/79/42/786037942.db2.gz YSNDZXJDJFQZRG-UTUOFQBUSA-N 1 0 348.469 -1.174 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C2)c(=O)n1C ZINC001106937658 786038111 /nfs/dbraw/zinc/03/81/11/786038111.db2.gz AZUGWFCMECKZAB-CKYFFXLPSA-N 1 0 338.412 -1.552 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C2)c(=O)n1C ZINC001106937660 786038036 /nfs/dbraw/zinc/03/80/36/786038036.db2.gz AZUGWFCMECKZAB-JFGNBEQYSA-N 1 0 338.412 -1.552 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C[NH2+]C[C@@H](C)O)[C@H](C)C2)c(=O)n1C ZINC001106938127 786038067 /nfs/dbraw/zinc/03/80/67/786038067.db2.gz NVIDEPBZLKTRPE-NQBHXWOUSA-N 1 0 325.413 -1.045 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C[NH2+]C[C@H](C)O)[C@H](C)C2)c(=O)n1C ZINC001106938133 786038227 /nfs/dbraw/zinc/03/82/27/786038227.db2.gz NVIDEPBZLKTRPE-NTZNESFSSA-N 1 0 325.413 -1.045 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C[NH2+]CCCO)[C@H](C)C2)c(=O)n1C ZINC001106938171 786038211 /nfs/dbraw/zinc/03/82/11/786038211.db2.gz OWNXOCFEJNZXJS-DGCLKSJQSA-N 1 0 325.413 -1.043 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC001106938292 786038148 /nfs/dbraw/zinc/03/81/48/786038148.db2.gz PZMDAUGDXPBTLW-ZYHUDNBSSA-N 1 0 338.412 -1.680 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001106947813 786038526 /nfs/dbraw/zinc/03/85/26/786038526.db2.gz LAHIQGVKUMSCGJ-GHMZBOCLSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106949460 786038539 /nfs/dbraw/zinc/03/85/39/786038539.db2.gz YJTJPCCXTDOXBG-NXEZZACHSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106952876 786038851 /nfs/dbraw/zinc/03/88/51/786038851.db2.gz DTUOWSMLKBIYIJ-CHWSQXEVSA-N 1 0 340.424 -1.205 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106958912 786039114 /nfs/dbraw/zinc/03/91/14/786039114.db2.gz BRISNHDCISVFGV-VXGBXAGGSA-N 1 0 344.441 -1.489 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C)C(=O)NC(N)=O ZINC001106958971 786038968 /nfs/dbraw/zinc/03/89/68/786038968.db2.gz DFHDGUFXVFHFAG-GMTAPVOTSA-N 1 0 337.384 -1.454 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C)C(=O)NC(N)=O ZINC001106958973 786039286 /nfs/dbraw/zinc/03/92/86/786039286.db2.gz DFHDGUFXVFHFAG-OUAUKWLOSA-N 1 0 337.384 -1.454 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106959228 786039106 /nfs/dbraw/zinc/03/91/06/786039106.db2.gz GAHULILZSHNJHA-VXGBXAGGSA-N 1 0 349.395 -1.486 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C[NH2+]CCOCCO ZINC001106959452 786039222 /nfs/dbraw/zinc/03/92/22/786039222.db2.gz MBVBYNNGCCRPKE-VXGBXAGGSA-N 1 0 342.396 -1.769 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001106959628 786039068 /nfs/dbraw/zinc/03/90/68/786039068.db2.gz OSYDFUHDZDOVDK-KXUCPTDWSA-N 1 0 325.369 -1.904 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001106959629 786039296 /nfs/dbraw/zinc/03/92/96/786039296.db2.gz OSYDFUHDZDOVDK-OPRDCNLKSA-N 1 0 325.369 -1.904 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001106959656 786039357 /nfs/dbraw/zinc/03/93/57/786039357.db2.gz PXUHMMQFPMPYKF-GMTAPVOTSA-N 1 0 339.396 -1.643 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001106959657 786039336 /nfs/dbraw/zinc/03/93/36/786039336.db2.gz PXUHMMQFPMPYKF-OUAUKWLOSA-N 1 0 339.396 -1.643 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106959708 786039142 /nfs/dbraw/zinc/03/91/42/786039142.db2.gz RYNMHMIVXUMTTC-GHMZBOCLSA-N 1 0 339.396 -1.690 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001106959709 786039072 /nfs/dbraw/zinc/03/90/72/786039072.db2.gz RYQRQUCTHYBQAP-GHMZBOCLSA-N 1 0 337.384 -1.582 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001106959872 786039317 /nfs/dbraw/zinc/03/93/17/786039317.db2.gz UBSPDQQBGRUHNN-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106959873 786039111 /nfs/dbraw/zinc/03/91/11/786039111.db2.gz UGZJPAIRKULJQO-VXGBXAGGSA-N 1 0 349.395 -1.486 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001106959907 786039292 /nfs/dbraw/zinc/03/92/92/786039292.db2.gz WEIKFTCHATXUSH-IJLUTSLNSA-N 1 0 342.396 -1.770 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001106959908 786039197 /nfs/dbraw/zinc/03/91/97/786039197.db2.gz WEIKFTCHATXUSH-UTUOFQBUSA-N 1 0 342.396 -1.770 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106959919 786039332 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ATTUFDAAMSIWAM-OUAUKWLOSA-N 1 0 339.396 -1.562 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC001106960277 786039179 /nfs/dbraw/zinc/03/91/79/786039179.db2.gz IAPSKASYQSABLU-GRYCIOLGSA-N 1 0 326.397 -1.055 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC001106960278 786039145 /nfs/dbraw/zinc/03/91/45/786039145.db2.gz IAPSKASYQSABLU-IJLUTSLNSA-N 1 0 326.397 -1.055 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C[NH2+]CCCO ZINC001106960380 786039252 /nfs/dbraw/zinc/03/92/52/786039252.db2.gz LZJXCQOWDIZHSB-VXGBXAGGSA-N 1 0 326.397 -1.053 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC001106960433 786039299 /nfs/dbraw/zinc/03/92/99/786039299.db2.gz PCDOUHWZTDUFOU-GHMZBOCLSA-N 1 0 339.396 -1.690 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106960681 786038994 /nfs/dbraw/zinc/03/89/94/786038994.db2.gz YUYWSRHBZVJMJS-NXEZZACHSA-N 1 0 325.369 -1.950 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106962209 786039130 /nfs/dbraw/zinc/03/91/30/786039130.db2.gz CRMUPHMRTATJPY-BBBLOLIVSA-N 1 0 325.369 -1.856 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106962210 786039272 /nfs/dbraw/zinc/03/92/72/786039272.db2.gz CRMUPHMRTATJPY-OPRDCNLKSA-N 1 0 325.369 -1.856 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC001106962382 786039100 /nfs/dbraw/zinc/03/91/00/786039100.db2.gz IKBATADXJVVESF-NXEZZACHSA-N 1 0 334.380 -1.381 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106962386 786039146 /nfs/dbraw/zinc/03/91/46/786039146.db2.gz ILYFHCGOMAOUGQ-GHMZBOCLSA-N 1 0 348.407 -1.039 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C ZINC001106962390 786039095 /nfs/dbraw/zinc/03/90/95/786039095.db2.gz IRZVEDOEKPRSPS-GMTAPVOTSA-N 1 0 339.396 -1.595 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 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334.442 -1.227 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106964831 786039570 /nfs/dbraw/zinc/03/95/70/786039570.db2.gz JVHPRGBRLJGTAN-RKDXNWHRSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106964962 786039628 /nfs/dbraw/zinc/03/96/28/786039628.db2.gz LQYZBMISMLVCRT-GMTAPVOTSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106964963 786039818 /nfs/dbraw/zinc/03/98/18/786039818.db2.gz LQYZBMISMLVCRT-MXWKQRLJSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001106964975 786039403 /nfs/dbraw/zinc/03/94/03/786039403.db2.gz MKZUXUJVDHWHOG-NXEZZACHSA-N 1 0 342.400 -1.816 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106965259 786039507 /nfs/dbraw/zinc/03/95/07/786039507.db2.gz QZXHQQRBMYRHKZ-VXGBXAGGSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001106965514 786039513 /nfs/dbraw/zinc/03/95/13/786039513.db2.gz ZONMOLWARDNQFI-NXEZZACHSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106966201 786039648 /nfs/dbraw/zinc/03/96/48/786039648.db2.gz GXENEEFGZHNKJV-VXGBXAGGSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106966210 786039718 /nfs/dbraw/zinc/03/97/18/786039718.db2.gz HOOQZRDVSMHOBK-GHMZBOCLSA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106966286 786039420 /nfs/dbraw/zinc/03/94/20/786039420.db2.gz KWWUXHMKVQQBHF-ZYHUDNBSSA-N 1 0 325.413 -1.054 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001106966314 786039797 /nfs/dbraw/zinc/03/97/97/786039797.db2.gz MGKABUXYHLDZDR-KXUCPTDWSA-N 1 0 342.400 -1.688 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001106966315 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326.397 -1.005 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C)C(N)=O ZINC001106979462 786040136 /nfs/dbraw/zinc/04/01/36/786040136.db2.gz JEDXYJMZGPPNLT-KXUCPTDWSA-N 1 0 337.380 -1.343 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C)C(N)=O ZINC001106979467 786040381 /nfs/dbraw/zinc/04/03/81/786040381.db2.gz JEDXYJMZGPPNLT-OPRDCNLKSA-N 1 0 337.380 -1.343 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C ZINC001106979605 786040241 /nfs/dbraw/zinc/04/02/41/786040241.db2.gz MEPYTXFQJBFNON-NXEZZACHSA-N 1 0 337.380 -1.470 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C[NH2+]CCO ZINC001106981103 786040350 /nfs/dbraw/zinc/04/03/50/786040350.db2.gz GFPICRUMBLEOAN-CHWSQXEVSA-N 1 0 333.454 -1.607 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC001106981351 786040354 /nfs/dbraw/zinc/04/03/54/786040354.db2.gz JZBMSOFJVTWCCV-HZSPNIEDSA-N 1 0 347.481 -1.218 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC001106981352 786039966 /nfs/dbraw/zinc/03/99/66/786039966.db2.gz JZBMSOFJVTWCCV-MGPQQGTHSA-N 1 0 347.481 -1.218 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C[NH2+]CCCO ZINC001106981713 786039901 /nfs/dbraw/zinc/03/99/01/786039901.db2.gz ZZKPZFKSQUYDEH-ZIAGYGMSSA-N 1 0 347.481 -1.217 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C[NH2+]CC(N)=O ZINC001106982243 786040315 /nfs/dbraw/zinc/04/03/15/786040315.db2.gz FYMDOUREJKJJPL-GHMZBOCLSA-N 1 0 331.380 -1.164 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106986090 786040263 /nfs/dbraw/zinc/04/02/63/786040263.db2.gz FCSWJSFABLXYSU-VXGBXAGGSA-N 1 0 346.453 -2.114 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C[NH2+]CCOCCO ZINC001106991549 786040200 /nfs/dbraw/zinc/04/02/00/786040200.db2.gz GDZAFMYQYCMCQX-JHJVBQTASA-N 1 0 349.453 -1.629 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C[NH2+]CCOCCO ZINC001106991550 786039936 /nfs/dbraw/zinc/03/99/36/786039936.db2.gz GDZAFMYQYCMCQX-UPJWGTAASA-N 1 0 349.453 -1.629 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001106991697 786040301 /nfs/dbraw/zinc/04/03/01/786040301.db2.gz LUXLIYRSHNQWDD-IJLUTSLNSA-N 1 0 346.453 -1.502 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001106991698 786039973 /nfs/dbraw/zinc/03/99/73/786039973.db2.gz LUXLIYRSHNQWDD-UTUOFQBUSA-N 1 0 346.453 -1.502 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001106991758 786040095 /nfs/dbraw/zinc/04/00/95/786040095.db2.gz OQWWDTKOBFHHPQ-GMTAPVOTSA-N 1 0 332.426 -1.892 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001106991759 786040312 /nfs/dbraw/zinc/04/03/12/786040312.db2.gz OQWWDTKOBFHHPQ-MXWKQRLJSA-N 1 0 332.426 -1.892 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106991792 786039995 /nfs/dbraw/zinc/03/99/95/786039995.db2.gz QAIFDEBQKSXMTD-IJLUTSLNSA-N 1 0 346.453 -1.550 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106991793 786040787 /nfs/dbraw/zinc/04/07/87/786040787.db2.gz QAIFDEBQKSXMTD-UTUOFQBUSA-N 1 0 346.453 -1.550 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1 ZINC001106994003 786040627 /nfs/dbraw/zinc/04/06/27/786040627.db2.gz CMHSODHJVVKJGV-GHMZBOCLSA-N 1 0 344.441 -1.452 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106994207 786040731 /nfs/dbraw/zinc/04/07/31/786040731.db2.gz GJRYURQVBIZWHX-GHMZBOCLSA-N 1 0 344.441 -1.452 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC001106994215 786040571 /nfs/dbraw/zinc/04/05/71/786040571.db2.gz GVRBAFFVCYXEMF-GHMZBOCLSA-N 1 0 344.441 -1.452 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106994218 786040813 /nfs/dbraw/zinc/04/08/13/786040813.db2.gz GZNGQASTJQYHOF-VXGBXAGGSA-N 1 0 348.469 -1.256 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106994293 786040641 /nfs/dbraw/zinc/04/06/41/786040641.db2.gz HXLLYTGZMBJYNW-VXGBXAGGSA-N 1 0 346.453 -1.548 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106994336 786040702 /nfs/dbraw/zinc/04/07/02/786040702.db2.gz JNAGJVYGMFIKPD-NXEZZACHSA-N 1 0 345.429 -2.057 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001106994596 786040770 /nfs/dbraw/zinc/04/07/70/786040770.db2.gz ONOOAKYPGZLEGB-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1 ZINC001106995288 786040587 /nfs/dbraw/zinc/04/05/87/786040587.db2.gz YHUNBOMOPNRCOS-GHMZBOCLSA-N 1 0 344.441 -1.452 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC001106995669 786040593 /nfs/dbraw/zinc/04/05/93/786040593.db2.gz CVHIFCHMXYOOKK-GHMZBOCLSA-N 1 0 344.441 -1.452 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106995702 786040751 /nfs/dbraw/zinc/04/07/51/786040751.db2.gz FWAMMDVXPWFUJT-GHMZBOCLSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106995724 786040849 /nfs/dbraw/zinc/04/08/49/786040849.db2.gz IBRQPSYGSZYHHY-GHMZBOCLSA-N 1 0 334.442 -1.692 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106995764 786040618 /nfs/dbraw/zinc/04/06/18/786040618.db2.gz LWMAWCYHGXBIGY-VXGBXAGGSA-N 1 0 337.442 -1.771 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001106995786 786040579 /nfs/dbraw/zinc/04/05/79/786040579.db2.gz NNVUQKSIVOKPBL-GMTAPVOTSA-N 1 0 332.426 -1.892 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001106995787 786040783 /nfs/dbraw/zinc/04/07/83/786040783.db2.gz NNVUQKSIVOKPBL-MXWKQRLJSA-N 1 0 332.426 -1.892 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001106995806 786040874 /nfs/dbraw/zinc/04/08/74/786040874.db2.gz PYCOWGJVOSTGGS-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106995819 786040553 /nfs/dbraw/zinc/04/05/53/786040553.db2.gz RQGLVORUYDJLOV-IJLUTSLNSA-N 1 0 337.442 -1.773 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106995820 786040798 /nfs/dbraw/zinc/04/07/98/786040798.db2.gz RQGLVORUYDJLOV-UTUOFQBUSA-N 1 0 337.442 -1.773 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106995877 786040877 /nfs/dbraw/zinc/04/08/77/786040877.db2.gz XVSBFTUNBAXXJN-RKDXNWHRSA-N 1 0 349.413 -2.585 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001106995883 786040779 /nfs/dbraw/zinc/04/07/79/786040779.db2.gz YKYBVNXGBWOYBN-GHMZBOCLSA-N 1 0 334.442 -1.644 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001106995889 786040694 /nfs/dbraw/zinc/04/06/94/786040694.db2.gz ZBDGBZKLACDBEV-IJLUTSLNSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001106995890 786040615 /nfs/dbraw/zinc/04/06/15/786040615.db2.gz ZBDGBZKLACDBEV-UTUOFQBUSA-N 1 0 346.453 -1.502 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001106997396 786040648 /nfs/dbraw/zinc/04/06/48/786040648.db2.gz BRDZRZCQAINDBN-GMTAPVOTSA-N 1 0 334.442 -1.516 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001106997397 786040520 /nfs/dbraw/zinc/04/05/20/786040520.db2.gz BRDZRZCQAINDBN-MXWKQRLJSA-N 1 0 334.442 -1.516 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106997420 786040864 /nfs/dbraw/zinc/04/08/64/786040864.db2.gz CURYHDRSFJBUAZ-IJLUTSLNSA-N 1 0 346.453 -1.550 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106997421 786040904 /nfs/dbraw/zinc/04/09/04/786040904.db2.gz CURYHDRSFJBUAZ-UTUOFQBUSA-N 1 0 346.453 -1.550 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106997684 786040853 /nfs/dbraw/zinc/04/08/53/786040853.db2.gz PQHPFJACYDEWJR-GRYCIOLGSA-N 1 0 348.469 -1.304 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106997685 786040810 /nfs/dbraw/zinc/04/08/10/786040810.db2.gz PQHPFJACYDEWJR-IJLUTSLNSA-N 1 0 348.469 -1.304 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106997712 786040509 /nfs/dbraw/zinc/04/05/09/786040509.db2.gz QCIFPCWCCAKMQF-VXGBXAGGSA-N 1 0 344.441 -1.489 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106997745 786040738 /nfs/dbraw/zinc/04/07/38/786040738.db2.gz RYQNQDYMAQYROX-MWLCHTKSSA-N 1 0 344.441 -1.154 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001106997817 786040735 /nfs/dbraw/zinc/04/07/35/786040735.db2.gz WRTICDRMNQLWOR-GMTAPVOTSA-N 1 0 334.442 -1.646 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001106997818 786040901 /nfs/dbraw/zinc/04/09/01/786040901.db2.gz WRTICDRMNQLWOR-OUAUKWLOSA-N 1 0 334.442 -1.646 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001106997844 786040542 /nfs/dbraw/zinc/04/05/42/786040542.db2.gz XWAMOLSJRBXIHD-NXEZZACHSA-N 1 0 331.398 -1.197 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106997868 786040743 /nfs/dbraw/zinc/04/07/43/786040743.db2.gz ZFVZJOALYGMZJL-GHMZBOCLSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1C[NH2+]CC(N)=O ZINC001107001494 786041111 /nfs/dbraw/zinc/04/11/11/786041111.db2.gz VCBJYNTTWWLFKH-VXGBXAGGSA-N 1 0 348.407 -1.234 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001107002633 786041360 /nfs/dbraw/zinc/04/13/60/786041360.db2.gz KHGOUBFWWBMHJO-RAIGVLPGSA-N 1 0 326.397 -1.597 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001107002634 786041243 /nfs/dbraw/zinc/04/12/43/786041243.db2.gz KHGOUBFWWBMHJO-RTXFEEFZSA-N 1 0 326.397 -1.597 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C ZINC001107002848 786041545 /nfs/dbraw/zinc/04/15/45/786041545.db2.gz SQWWDPLEPSFPMX-BNOWGMLFSA-N 1 0 340.424 -1.336 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C ZINC001107002849 786041669 /nfs/dbraw/zinc/04/16/69/786041669.db2.gz SQWWDPLEPSFPMX-MRVWCRGKSA-N 1 0 340.424 -1.336 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1C ZINC001107008396 786041492 /nfs/dbraw/zinc/04/14/92/786041492.db2.gz JMDJAOWIWJDPOW-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1C ZINC001107008397 786041548 /nfs/dbraw/zinc/04/15/48/786041548.db2.gz JMDJAOWIWJDPOW-UTUOFQBUSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001107023395 786042039 /nfs/dbraw/zinc/04/20/39/786042039.db2.gz LCGXJERURWDJIW-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001107023626 786042271 /nfs/dbraw/zinc/04/22/71/786042271.db2.gz NPFXJMIUIAIOCU-GRYCIOLGSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001107023627 786042334 /nfs/dbraw/zinc/04/23/34/786042334.db2.gz NPFXJMIUIAIOCU-IJLUTSLNSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001107023674 786042006 /nfs/dbraw/zinc/04/20/06/786042006.db2.gz PQXMPPKUCVRFNX-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C[NH2+]CC(N)=O ZINC001107025827 786042192 /nfs/dbraw/zinc/04/21/92/786042192.db2.gz AQYJYCKJQKXHLP-VXGBXAGGSA-N 1 0 333.392 -1.019 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C ZINC001107027980 786042290 /nfs/dbraw/zinc/04/22/90/786042290.db2.gz KMHAMGGFIPWFKM-CHWSQXEVSA-N 1 0 338.412 -1.275 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C[NH2+]CCCO ZINC001107028047 786042231 /nfs/dbraw/zinc/04/22/31/786042231.db2.gz NFMFLOIOTHMNOD-CHWSQXEVSA-N 1 0 338.412 -1.539 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C ZINC001107028919 786042131 /nfs/dbraw/zinc/04/21/31/786042131.db2.gz JZARVTSWMCBXGM-FRRDWIJNSA-N 1 0 338.412 -1.541 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C ZINC001107028920 786042148 /nfs/dbraw/zinc/04/21/48/786042148.db2.gz JZARVTSWMCBXGM-JHJVBQTASA-N 1 0 338.412 -1.541 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C[NH2+]CC(N)=O ZINC001107029664 786042321 /nfs/dbraw/zinc/04/23/21/786042321.db2.gz XTNYCEWAWWVGEJ-GHMZBOCLSA-N 1 0 337.384 -2.436 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C)C(N)=O ZINC001107034136 786042849 /nfs/dbraw/zinc/04/28/49/786042849.db2.gz KGOSVCFUPSFOOQ-KXUCPTDWSA-N 1 0 337.384 -2.065 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C)C(N)=O ZINC001107034137 786042820 /nfs/dbraw/zinc/04/28/20/786042820.db2.gz KGOSVCFUPSFOOQ-OPRDCNLKSA-N 1 0 337.384 -2.065 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001107034325 786042433 /nfs/dbraw/zinc/04/24/33/786042433.db2.gz VKWKRMWWQDAFJM-NXEZZACHSA-N 1 0 337.384 -2.193 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107035365 786042445 /nfs/dbraw/zinc/04/24/45/786042445.db2.gz DJSRNXQPIAVJKV-NXEZZACHSA-N 1 0 348.425 -1.700 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001107035411 786042741 /nfs/dbraw/zinc/04/27/41/786042741.db2.gz GOWHLPZUFKQJJC-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001107035412 786042737 /nfs/dbraw/zinc/04/27/37/786042737.db2.gz GOWHLPZUFKQJJC-UTUOFQBUSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C[NH2+]CCO ZINC001107035543 786042816 /nfs/dbraw/zinc/04/28/16/786042816.db2.gz LSHQGTWXSWXWKD-VXGBXAGGSA-N 1 0 338.412 -1.344 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001107035560 786042746 /nfs/dbraw/zinc/04/27/46/786042746.db2.gz MSNOYFWBSMSQNU-GHMZBOCLSA-N 1 0 344.441 -1.171 20 0 EAADRO CCOCCOCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107046170 786042566 /nfs/dbraw/zinc/04/25/66/786042566.db2.gz SCWYCEGHPGXKFW-VXGBXAGGSA-N 1 0 344.412 -1.082 20 0 EAADRO COCCOCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107069288 786043448 /nfs/dbraw/zinc/04/34/48/786043448.db2.gz XLKCEEGRIHQRFE-VXGBXAGGSA-N 1 0 344.412 -1.082 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001107082176 786043706 /nfs/dbraw/zinc/04/37/06/786043706.db2.gz FUSJUMTVLSEYMW-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C ZINC001107082292 786043566 /nfs/dbraw/zinc/04/35/66/786043566.db2.gz JWUAESOZMGJXQO-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001107082961 786043636 /nfs/dbraw/zinc/04/36/36/786043636.db2.gz XSNRTJMJQLXZPN-NXEZZACHSA-N 1 0 327.385 -1.479 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001107083636 786043438 /nfs/dbraw/zinc/04/34/38/786043438.db2.gz JXESBDBSWPWAAX-GMTAPVOTSA-N 1 0 341.412 -1.091 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001107083637 786043468 /nfs/dbraw/zinc/04/34/68/786043468.db2.gz JXESBDBSWPWAAX-OUAUKWLOSA-N 1 0 341.412 -1.091 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C ZINC001107083766 786043579 /nfs/dbraw/zinc/04/35/79/786043579.db2.gz OABZTSORMYQERB-UTUOFQBUSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C[NH2+]CC(N)=O ZINC001107085849 786043554 /nfs/dbraw/zinc/04/35/54/786043554.db2.gz HGJFPZLVNHCNGZ-JHJVBQTASA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C[NH2+]CC(N)=O ZINC001107085852 786043703 /nfs/dbraw/zinc/04/37/03/786043703.db2.gz HGJFPZLVNHCNGZ-UPJWGTAASA-N 1 0 340.424 -1.159 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C ZINC001107099681 786044587 /nfs/dbraw/zinc/04/45/87/786044587.db2.gz MYARSFITRZMNIA-GRYCIOLGSA-N 1 0 338.408 -1.141 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C ZINC001107099682 786044697 /nfs/dbraw/zinc/04/46/97/786044697.db2.gz MYARSFITRZMNIA-IJLUTSLNSA-N 1 0 338.408 -1.141 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001107100374 786044604 /nfs/dbraw/zinc/04/46/04/786044604.db2.gz XHZPHURMYYEZDP-GRYCIOLGSA-N 1 0 338.408 -1.189 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001107100375 786044429 /nfs/dbraw/zinc/04/44/29/786044429.db2.gz XHZPHURMYYEZDP-IJLUTSLNSA-N 1 0 338.408 -1.189 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C[NH2+]CCOCCO ZINC001107102021 786044388 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O=C(Cn1cnnn1)NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001107126820 786046845 /nfs/dbraw/zinc/04/68/45/786046845.db2.gz UIXBDAMHAKBTTC-LLVKDONJSA-N 1 0 347.383 -1.526 20 0 EAADRO O=C(Cn1cnnn1)NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001107126821 786046838 /nfs/dbraw/zinc/04/68/38/786046838.db2.gz UIXBDAMHAKBTTC-NSHDSACASA-N 1 0 347.383 -1.526 20 0 EAADRO CCNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107146520 786047788 /nfs/dbraw/zinc/04/77/88/786047788.db2.gz MAVRSIABMNTQKF-AWEZNQCLSA-N 1 0 349.439 -1.019 20 0 EAADRO CCNC(=O)CN1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107146521 786047718 /nfs/dbraw/zinc/04/77/18/786047718.db2.gz MAVRSIABMNTQKF-CQSZACIVSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001107161073 786049880 /nfs/dbraw/zinc/04/98/80/786049880.db2.gz WMEKAFRGQTYWMZ-LLVKDONJSA-N 1 0 336.396 -1.076 20 0 EAADRO CNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001107161074 786050158 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CNC(=O)CN1CC(n2cc(CNC(=O)C3([NH+](C)C)CCC3)nn2)C1 ZINC001107179581 786053086 /nfs/dbraw/zinc/05/30/86/786053086.db2.gz NBTDXQGZJGWDBO-UHFFFAOYSA-N 1 0 349.439 -1.019 20 0 EAADRO C[N@H+](CC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1)C1CCC1 ZINC001107179653 786053711 /nfs/dbraw/zinc/05/37/11/786053711.db2.gz PBLBPYSFEBYBKP-UHFFFAOYSA-N 1 0 335.412 -1.279 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)C[N@H+](C)C3CCC3)nn2)C1 ZINC001107179691 786053600 /nfs/dbraw/zinc/05/36/00/786053600.db2.gz QNVWRGCMTUKCCZ-UHFFFAOYSA-N 1 0 349.439 -1.019 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179699 786053349 /nfs/dbraw/zinc/05/33/49/786053349.db2.gz QTQXKDVBXCEJDM-HZMBPMFUSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179700 786053413 /nfs/dbraw/zinc/05/34/13/786053413.db2.gz QTQXKDVBXCEJDM-IINYFYTJSA-N 1 0 349.439 -1.035 20 0 EAADRO C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179701 786054007 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20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001107182110 786054551 /nfs/dbraw/zinc/05/45/51/786054551.db2.gz OUSVAGSRRTUTGY-UHFFFAOYSA-N 1 0 337.428 -1.033 20 0 EAADRO CC[C@H](C(=O)NCc1cn(C2CN([C@H]3CCNC3=O)C2)nn1)[NH+](C)C ZINC001107182203 786054999 /nfs/dbraw/zinc/05/49/99/786054999.db2.gz PYCSJMKFJSVEEI-KGLIPLIRSA-N 1 0 349.439 -1.020 20 0 EAADRO CC[C@H](C(=O)NCc1cn(C2CN([C@@H]3CCNC3=O)C2)nn1)[NH+](C)C ZINC001107182209 786054411 /nfs/dbraw/zinc/05/44/11/786054411.db2.gz PYCSJMKFJSVEEI-ZIAGYGMSSA-N 1 0 349.439 -1.020 20 0 EAADRO CC[C@H](C(=O)NCc1cn(C2CN([C@@H](C)C(N)=O)C2)nn1)[NH+](C)C ZINC001107182564 786055098 /nfs/dbraw/zinc/05/50/98/786055098.db2.gz WUCWPXYOYFNTMB-GXFFZTMASA-N 1 0 337.428 -1.035 20 0 EAADRO CC[C@H](C(=O)NCc1cn(C2CN([C@H](C)C(N)=O)C2)nn1)[NH+](C)C ZINC001107182565 786055170 /nfs/dbraw/zinc/05/51/70/786055170.db2.gz WUCWPXYOYFNTMB-ZWNOBZJWSA-N 1 0 337.428 -1.035 20 0 EAADRO CC(C)C[NH+]1CC(n2cc(CNC(=O)CN3CCNC(=O)C3)nn2)C1 ZINC001107190821 786057420 /nfs/dbraw/zinc/05/74/20/786057420.db2.gz DDUCNCMIHRGIGQ-UHFFFAOYSA-N 1 0 349.439 -1.161 20 0 EAADRO CCCC[NH+]1CC(n2cc(CNC(=O)CN3CCNC(=O)C3)nn2)C1 ZINC001107190865 786056991 /nfs/dbraw/zinc/05/69/91/786056991.db2.gz FXHALVNOJOYLBH-UHFFFAOYSA-N 1 0 349.439 -1.017 20 0 EAADRO C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)CCC[NH+](C)C)nn2)C1 ZINC001107199023 786058711 /nfs/dbraw/zinc/05/87/11/786058711.db2.gz BXOMOQJPFTVBNC-LLVKDONJSA-N 1 0 337.428 -1.033 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)CCC[NH+](C)C)nn2)C1 ZINC001107199024 786058553 /nfs/dbraw/zinc/05/85/53/786058553.db2.gz BXOMOQJPFTVBNC-NSHDSACASA-N 1 0 337.428 -1.033 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)C3(C[NH+](C)C)CC3)nn2)C1 ZINC001107199539 786058864 /nfs/dbraw/zinc/05/88/64/786058864.db2.gz LHLCYMJRQWSTQQ-UHFFFAOYSA-N 1 0 349.439 -1.161 20 0 EAADRO C[NH+](C)CCCC(=O)NCc1cn(C2CN([C@H]3CCNC3=O)C2)nn1 ZINC001107199559 786058290 /nfs/dbraw/zinc/05/82/90/786058290.db2.gz MIZTULQNJKDFCJ-AWEZNQCLSA-N 1 0 349.439 -1.019 20 0 EAADRO C[NH+](C)CCCC(=O)NCc1cn(C2CN([C@@H]3CCNC3=O)C2)nn1 ZINC001107199560 786059052 /nfs/dbraw/zinc/05/90/52/786059052.db2.gz MIZTULQNJKDFCJ-CQSZACIVSA-N 1 0 349.439 -1.019 20 0 EAADRO CNC(=O)CN1CC(n2cc(CNC(=O)CCC[NH+](C)C)nn2)C1 ZINC001107199579 786058968 /nfs/dbraw/zinc/05/89/68/786058968.db2.gz NJGXBJWJDLXLSY-UHFFFAOYSA-N 1 0 337.428 -1.161 20 0 EAADRO C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)C3(C[NH+](C)C)CC3)nn2)C1 ZINC001107200032 786059176 /nfs/dbraw/zinc/05/91/76/786059176.db2.gz UVCHSIGAMRNMNA-LLVKDONJSA-N 1 0 349.439 -1.033 20 0 EAADRO C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)C3(C[NH+](C)C)CC3)nn2)C1 ZINC001107200033 786059116 /nfs/dbraw/zinc/05/91/16/786059116.db2.gz UVCHSIGAMRNMNA-NSHDSACASA-N 1 0 349.439 -1.033 20 0 EAADRO C[NH+](C)CC1(C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)CC1 ZINC001107200091 786058374 /nfs/dbraw/zinc/05/83/74/786058374.db2.gz WXVBYOYOUAQHMP-UHFFFAOYSA-N 1 0 335.412 -1.422 20 0 EAADRO NC(=O)C(=O)NCc1cn(C2C[NH+](C[C@H]3C[C@]34CCOC4)C2)nn1 ZINC001107201806 786058701 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CCC[N@H+](C)CC(=O)NCc1cn(C2CN([C@@H]3CCNC3=O)C2)nn1 ZINC001107231966 786066091 /nfs/dbraw/zinc/06/60/91/786066091.db2.gz ULLLARKIKIOFKL-CQSZACIVSA-N 1 0 349.439 -1.019 20 0 EAADRO CCC[N@H+](C)CC(=O)NCc1cn(C2CN(CC(=O)NC)C2)nn1 ZINC001107232244 786066946 /nfs/dbraw/zinc/06/69/46/786066946.db2.gz XZPUIRWRQVRSRO-UHFFFAOYSA-N 1 0 337.428 -1.161 20 0 EAADRO CCNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107234702 786069301 /nfs/dbraw/zinc/06/93/01/786069301.db2.gz QQQGTJWQBVZYTB-GFCCVEGCSA-N 1 0 349.439 -1.161 20 0 EAADRO CCNC(=O)CN1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107234803 786069202 /nfs/dbraw/zinc/06/92/02/786069202.db2.gz QQQGTJWQBVZYTB-LBPRGKRZSA-N 1 0 349.439 -1.161 20 0 EAADRO CC(C)C[NH+]1CC(n2cc(CNC(=O)CN3C(=O)CNC3=O)nn2)C1 ZINC001107235043 786069223 /nfs/dbraw/zinc/06/92/23/786069223.db2.gz YSLBWXNQMRIDFG-UHFFFAOYSA-N 1 0 349.395 -1.041 20 0 EAADRO CCNC(=O)CN1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107235114 786068286 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ZINC001108342900 786482055 /nfs/dbraw/zinc/48/20/55/786482055.db2.gz KINCUZRNBMOHSL-INIZCTEOSA-N 1 0 347.456 -1.219 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@]1(C)CN(CCOCCO)CCO1 ZINC001108342901 786481185 /nfs/dbraw/zinc/48/11/85/786481185.db2.gz KINCUZRNBMOHSL-MRXNPFEDSA-N 1 0 347.456 -1.219 20 0 EAADRO COC[C@H](O)CN1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343098 786481411 /nfs/dbraw/zinc/48/14/11/786481411.db2.gz MJZWJZDUQQKHRW-GDBMZVCRSA-N 1 0 347.456 -1.221 20 0 EAADRO COC[C@@H](O)CN1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343099 786482129 /nfs/dbraw/zinc/48/21/29/786482129.db2.gz MJZWJZDUQQKHRW-GOEBONIOSA-N 1 0 347.456 -1.221 20 0 EAADRO COC[C@@H](O)CN1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343100 786481972 /nfs/dbraw/zinc/48/19/72/786481972.db2.gz MJZWJZDUQQKHRW-HOCLYGCPSA-N 1 0 347.456 -1.221 20 0 EAADRO COC[C@H](O)CN1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343101 786482283 /nfs/dbraw/zinc/48/22/83/786482283.db2.gz MJZWJZDUQQKHRW-ZBFHGGJFSA-N 1 0 347.456 -1.221 20 0 EAADRO CNC(=O)[C@H](C)N1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343483 786481160 /nfs/dbraw/zinc/48/11/60/786481160.db2.gz UCAAPWCBTTVWOE-BBRMVZONSA-N 1 0 344.456 -1.094 20 0 EAADRO CNC(=O)[C@@H](C)N1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343484 786481592 /nfs/dbraw/zinc/48/15/92/786481592.db2.gz UCAAPWCBTTVWOE-CJNGLKHVSA-N 1 0 344.456 -1.094 20 0 EAADRO CNC(=O)[C@@H](C)N1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343485 786481445 /nfs/dbraw/zinc/48/14/45/786481445.db2.gz UCAAPWCBTTVWOE-CZUORRHYSA-N 1 0 344.456 -1.094 20 0 EAADRO CNC(=O)[C@H](C)N1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343486 786481229 /nfs/dbraw/zinc/48/12/29/786481229.db2.gz UCAAPWCBTTVWOE-XJKSGUPXSA-N 1 0 344.456 -1.094 20 0 EAADRO CCNC(=O)CN1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343613 786481466 /nfs/dbraw/zinc/48/14/66/786481466.db2.gz WAHIKHXPRAWVJF-INIZCTEOSA-N 1 0 344.456 -1.092 20 0 EAADRO CCNC(=O)CN1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343614 786482339 /nfs/dbraw/zinc/48/23/39/786482339.db2.gz WAHIKHXPRAWVJF-MRXNPFEDSA-N 1 0 344.456 -1.092 20 0 EAADRO C[C@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343743 786481237 /nfs/dbraw/zinc/48/12/37/786481237.db2.gz ZAMJWTHLIPKYEC-DOMZBBRYSA-N 1 0 330.429 -1.355 20 0 EAADRO C[C@H](C(N)=O)N1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343744 786481710 /nfs/dbraw/zinc/48/17/10/786481710.db2.gz ZAMJWTHLIPKYEC-IUODEOHRSA-N 1 0 330.429 -1.355 20 0 EAADRO C[C@@H](C(N)=O)N1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343745 786481178 /nfs/dbraw/zinc/48/11/78/786481178.db2.gz ZAMJWTHLIPKYEC-SWLSCSKDSA-N 1 0 330.429 -1.355 20 0 EAADRO C[C@@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343746 786481262 /nfs/dbraw/zinc/48/12/62/786481262.db2.gz ZAMJWTHLIPKYEC-WFASDCNBSA-N 1 0 330.429 -1.355 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@]1(C)CN(CC(=O)NC(N)=O)CCO1 ZINC001108357142 786483511 /nfs/dbraw/zinc/48/35/11/786483511.db2.gz YRTGRXWNHXTWAU-HNNXBMFYSA-N 1 0 343.428 -1.270 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@]1(C)CN(CC(=O)NC(N)=O)CCO1 ZINC001108357143 786482810 /nfs/dbraw/zinc/48/28/10/786482810.db2.gz YRTGRXWNHXTWAU-OAHLLOKOSA-N 1 0 343.428 -1.270 20 0 EAADRO COCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001108385874 786487854 /nfs/dbraw/zinc/48/78/54/786487854.db2.gz SMXAJBGEJBMANX-HNNXBMFYSA-N 1 0 342.396 -1.218 20 0 EAADRO COCCC[N@@H+]1CCO[C@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001108385875 786488266 /nfs/dbraw/zinc/48/82/66/786488266.db2.gz SMXAJBGEJBMANX-OAHLLOKOSA-N 1 0 342.396 -1.218 20 0 EAADRO Cn1nnc(CN2CCO[C@@](C)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001108393884 786489801 /nfs/dbraw/zinc/48/98/01/786489801.db2.gz ANMWZJRGCHCLKS-DOMZBBRYSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CN2CCO[C@](C)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001108393885 786489779 /nfs/dbraw/zinc/48/97/79/786489779.db2.gz ANMWZJRGCHCLKS-IUODEOHRSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CN2CCO[C@](C)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001108393886 786489626 /nfs/dbraw/zinc/48/96/26/786489626.db2.gz ANMWZJRGCHCLKS-SWLSCSKDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnc(CN2CCO[C@@](C)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001108393887 786489679 /nfs/dbraw/zinc/48/96/79/786489679.db2.gz ANMWZJRGCHCLKS-WFASDCNBSA-N 1 0 337.428 -1.131 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(C)CN(CC(=O)NC(N)=O)CCO2)C1 ZINC001108395365 786491091 /nfs/dbraw/zinc/49/10/91/786491091.db2.gz RIHLLUGGZKPJCQ-ABAIWWIYSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(C)CN(CC(=O)NC(N)=O)CCO2)C1 ZINC001108395367 786491266 /nfs/dbraw/zinc/49/12/66/786491266.db2.gz RIHLLUGGZKPJCQ-IAQYHMDHSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(C)CN(CC(=O)NC(N)=O)CCO2)C1 ZINC001108395368 786490608 /nfs/dbraw/zinc/49/06/08/786490608.db2.gz RIHLLUGGZKPJCQ-NHYWBVRUSA-N 1 0 341.412 -1.660 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(C)CN(CC(=O)NC(N)=O)CCO2)C1 ZINC001108395369 786491213 /nfs/dbraw/zinc/49/12/13/786491213.db2.gz RIHLLUGGZKPJCQ-XHDPSFHLSA-N 1 0 341.412 -1.660 20 0 EAADRO Cn1nnnc1CN1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395584 786490842 /nfs/dbraw/zinc/49/08/42/786490842.db2.gz TZIRZSXHROHGON-DOMZBBRYSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CN1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395585 786491035 /nfs/dbraw/zinc/49/10/35/786491035.db2.gz TZIRZSXHROHGON-IUODEOHRSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CN1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395586 786491003 /nfs/dbraw/zinc/49/10/03/786491003.db2.gz TZIRZSXHROHGON-SWLSCSKDSA-N 1 0 337.428 -1.131 20 0 EAADRO Cn1nnnc1CN1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395587 786490681 /nfs/dbraw/zinc/49/06/81/786490681.db2.gz TZIRZSXHROHGON-WFASDCNBSA-N 1 0 337.428 -1.131 20 0 EAADRO C[C@]1(CNC(=O)C[NH+]2CCCC2)CN(CC(=O)NC(N)=O)CCO1 ZINC001108396663 786490914 /nfs/dbraw/zinc/49/09/14/786490914.db2.gz CVXFYAZOUSWIAQ-HNNXBMFYSA-N 1 0 341.412 -1.516 20 0 EAADRO C[C@@]1(CNC(=O)C[NH+]2CCCC2)CN(CC(=O)NC(N)=O)CCO1 ZINC001108396665 786490644 /nfs/dbraw/zinc/49/06/44/786490644.db2.gz CVXFYAZOUSWIAQ-OAHLLOKOSA-N 1 0 341.412 -1.516 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 ZINC001108401619 786491121 /nfs/dbraw/zinc/49/11/21/786491121.db2.gz SSDLBHBFKKGMSD-BBRMVZONSA-N 1 0 342.440 -1.353 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 ZINC001108401620 786490707 /nfs/dbraw/zinc/49/07/07/786490707.db2.gz SSDLBHBFKKGMSD-CJNGLKHVSA-N 1 0 342.440 -1.353 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 ZINC001108401621 786490345 /nfs/dbraw/zinc/49/03/45/786490345.db2.gz SSDLBHBFKKGMSD-CZUORRHYSA-N 1 0 342.440 -1.353 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 ZINC001108401622 786490693 /nfs/dbraw/zinc/49/06/93/786490693.db2.gz SSDLBHBFKKGMSD-XJKSGUPXSA-N 1 0 342.440 -1.353 20 0 EAADRO COCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001108402593 786492325 /nfs/dbraw/zinc/49/23/25/786492325.db2.gz HYAYBRQLDVGVKK-GXTWGEPZSA-N 1 0 349.453 -1.078 20 0 EAADRO COCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001108402594 786491994 /nfs/dbraw/zinc/49/19/94/786491994.db2.gz HYAYBRQLDVGVKK-JSGCOSHPSA-N 1 0 349.453 -1.078 20 0 EAADRO COCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001108402595 786492433 /nfs/dbraw/zinc/49/24/33/786492433.db2.gz HYAYBRQLDVGVKK-OCCSQVGLSA-N 1 0 349.453 -1.078 20 0 EAADRO COCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001108402596 786492393 /nfs/dbraw/zinc/49/23/93/786492393.db2.gz HYAYBRQLDVGVKK-TZMCWYRMSA-N 1 0 349.453 -1.078 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](CCCOC)CCO1 ZINC001108405199 786492255 /nfs/dbraw/zinc/49/22/55/786492255.db2.gz VTMPUVGFZNYKPL-CYBMUJFWSA-N 1 0 337.442 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@H+](CCCOC)CCO1 ZINC001108405200 786492537 /nfs/dbraw/zinc/49/25/37/786492537.db2.gz VTMPUVGFZNYKPL-ZDUSSCGKSA-N 1 0 337.442 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC001108405333 786491952 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ZINC001108525296 786531294 /nfs/dbraw/zinc/53/12/94/786531294.db2.gz KHZPQDZNYFNXKF-NWDGAFQWSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001108525297 786530833 /nfs/dbraw/zinc/53/08/33/786530833.db2.gz KHZPQDZNYFNXKF-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001108525298 786530646 /nfs/dbraw/zinc/53/06/46/786530646.db2.gz KHZPQDZNYFNXKF-VXGBXAGGSA-N 1 0 338.408 -1.310 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC001108526131 786532311 /nfs/dbraw/zinc/53/23/11/786532311.db2.gz VHMMUUCZLQGGCM-AAEUAGOBSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001108526132 786532215 /nfs/dbraw/zinc/53/22/15/786532215.db2.gz VHMMUUCZLQGGCM-DGCLKSJQSA-N 1 0 338.408 -1.168 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001108526133 786531965 /nfs/dbraw/zinc/53/19/65/786531965.db2.gz 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CNC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC(C)C)C2)C1 ZINC001108549352 786539904 /nfs/dbraw/zinc/53/99/04/786539904.db2.gz IDIMCKGFMZJXQQ-LLVKDONJSA-N 1 0 325.413 -1.027 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC(C)C)C2)C1 ZINC001108549353 786539784 /nfs/dbraw/zinc/53/97/84/786539784.db2.gz IDIMCKGFMZJXQQ-NSHDSACASA-N 1 0 325.413 -1.027 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)C1CC1 ZINC001108551519 786546340 /nfs/dbraw/zinc/54/63/40/786546340.db2.gz BZLGFXCIUSLBDN-ABAIWWIYSA-N 1 0 337.424 -1.787 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)C1CC1 ZINC001108551520 786546223 /nfs/dbraw/zinc/54/62/23/786546223.db2.gz BZLGFXCIUSLBDN-IAQYHMDHSA-N 1 0 337.424 -1.787 20 0 EAADRO C[NH+](C)[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)C1CC1 ZINC001108551521 786546375 /nfs/dbraw/zinc/54/63/75/786546375.db2.gz BZLGFXCIUSLBDN-NHYWBVRUSA-N 1 0 337.424 -1.787 20 0 EAADRO C[NH+](C)[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)C1CC1 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CC[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1)[NH+](C)C ZINC001108553517 786542758 /nfs/dbraw/zinc/54/27/58/786542758.db2.gz OABGABODKJDOEW-DGCLKSJQSA-N 1 0 339.440 -1.526 20 0 EAADRO CC[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1)[NH+](C)C ZINC001108553518 786543417 /nfs/dbraw/zinc/54/34/17/786543417.db2.gz OABGABODKJDOEW-WCQYABFASA-N 1 0 339.440 -1.526 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108553717 786544554 /nfs/dbraw/zinc/54/45/54/786544554.db2.gz UNPZVGUDWXHMDJ-LLVKDONJSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108553718 786544579 /nfs/dbraw/zinc/54/45/79/786544579.db2.gz UNPZVGUDWXHMDJ-NSHDSACASA-N 1 0 339.440 -1.397 20 0 EAADRO CNC(=O)CN1CC(N2C[C@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566055 786553432 /nfs/dbraw/zinc/55/34/32/786553432.db2.gz CYMKSPHHAIQXHJ-GFCCVEGCSA-N 1 0 339.440 -1.525 20 0 EAADRO CNC(=O)CN1CC(N2C[C@@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566056 786553287 /nfs/dbraw/zinc/55/32/87/786553287.db2.gz CYMKSPHHAIQXHJ-LBPRGKRZSA-N 1 0 339.440 -1.525 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108566215 786553592 /nfs/dbraw/zinc/55/35/92/786553592.db2.gz FZGYNUBSUZVQRQ-LLVKDONJSA-N 1 0 325.413 -1.785 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108566217 786553212 /nfs/dbraw/zinc/55/32/12/786553212.db2.gz FZGYNUBSUZVQRQ-NSHDSACASA-N 1 0 325.413 -1.785 20 0 EAADRO C[C@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566787 786553249 /nfs/dbraw/zinc/55/32/49/786553249.db2.gz NQUKZIZJXLVESR-NEPJUHHUSA-N 1 0 339.440 -1.397 20 0 EAADRO C[C@@H](C(N)=O)N1CC(N2C[C@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566788 786553497 /nfs/dbraw/zinc/55/34/97/786553497.db2.gz NQUKZIZJXLVESR-NWDGAFQWSA-N 1 0 339.440 -1.397 20 0 EAADRO C[C@@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566789 786553309 /nfs/dbraw/zinc/55/33/09/786553309.db2.gz NQUKZIZJXLVESR-RYUDHWBXSA-N 1 0 339.440 -1.397 20 0 EAADRO C[C@H](C(N)=O)N1CC(N2C[C@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566790 786553449 /nfs/dbraw/zinc/55/34/49/786553449.db2.gz NQUKZIZJXLVESR-VXGBXAGGSA-N 1 0 339.440 -1.397 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)CC1 ZINC001108566913 786552917 /nfs/dbraw/zinc/55/29/17/786552917.db2.gz QGUMYVBCASKWJG-LLVKDONJSA-N 1 0 337.424 -1.785 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)CC1 ZINC001108566914 786553173 /nfs/dbraw/zinc/55/31/73/786553173.db2.gz QGUMYVBCASKWJG-NSHDSACASA-N 1 0 337.424 -1.785 20 0 EAADRO C[C@H](C(N)=O)N1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568546 786551547 /nfs/dbraw/zinc/55/15/47/786551547.db2.gz WFVCVGSDMMKLQD-GHMZBOCLSA-N 1 0 325.413 -1.787 20 0 EAADRO C[C@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568547 786551964 /nfs/dbraw/zinc/55/19/64/786551964.db2.gz WFVCVGSDMMKLQD-MNOVXSKESA-N 1 0 325.413 -1.787 20 0 EAADRO C[C@@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568548 786552088 /nfs/dbraw/zinc/55/20/88/786552088.db2.gz WFVCVGSDMMKLQD-QWRGUYRKSA-N 1 0 325.413 -1.787 20 0 EAADRO C[C@@H](C(N)=O)N1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568549 786552155 /nfs/dbraw/zinc/55/21/55/786552155.db2.gz WFVCVGSDMMKLQD-WDEREUQCSA-N 1 0 325.413 -1.787 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN([C@H]3CCNC3=O)C2)C1 ZINC001108569081 786552325 /nfs/dbraw/zinc/55/23/25/786552325.db2.gz BYURFRUZIMKWGN-AAEUAGOBSA-N 1 0 337.424 -1.772 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001108569082 786551524 /nfs/dbraw/zinc/55/15/24/786551524.db2.gz BYURFRUZIMKWGN-DGCLKSJQSA-N 1 0 337.424 -1.772 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001108569083 786551378 /nfs/dbraw/zinc/55/13/78/786551378.db2.gz BYURFRUZIMKWGN-WCQYABFASA-N 1 0 337.424 -1.772 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H]3CCNC3=O)C2)C1 ZINC001108569084 786552262 /nfs/dbraw/zinc/55/22/62/786552262.db2.gz BYURFRUZIMKWGN-YPMHNXCESA-N 1 0 337.424 -1.772 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 ZINC001108569241 786552285 /nfs/dbraw/zinc/55/22/85/786552285.db2.gz CKVPEBSUTJAITH-LLVKDONJSA-N 1 0 336.396 -1.077 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 ZINC001108569242 786551487 /nfs/dbraw/zinc/55/14/87/786551487.db2.gz CKVPEBSUTJAITH-NSHDSACASA-N 1 0 336.396 -1.077 20 0 EAADRO CC[C@@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569277 786552253 /nfs/dbraw/zinc/55/22/53/786552253.db2.gz DTQGHOVZUFYVNK-AAEUAGOBSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[C@H](C(N)=O)N1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569278 786551656 /nfs/dbraw/zinc/55/16/56/786551656.db2.gz DTQGHOVZUFYVNK-DGCLKSJQSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[C@H](C(N)=O)N1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569279 786552220 /nfs/dbraw/zinc/55/22/20/786552220.db2.gz DTQGHOVZUFYVNK-WCQYABFASA-N 1 0 339.440 -1.397 20 0 EAADRO CC[C@@H](C(N)=O)N1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569280 786551955 /nfs/dbraw/zinc/55/19/55/786551955.db2.gz DTQGHOVZUFYVNK-YPMHNXCESA-N 1 0 339.440 -1.397 20 0 EAADRO COC[C@H](O)CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569364 786551510 /nfs/dbraw/zinc/55/15/10/786551510.db2.gz GGDWLAONPYTOKL-GXTWGEPZSA-N 1 0 342.440 -1.653 20 0 EAADRO COC[C@@H](O)CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569365 786552171 /nfs/dbraw/zinc/55/21/71/786552171.db2.gz GGDWLAONPYTOKL-JSGCOSHPSA-N 1 0 342.440 -1.653 20 0 EAADRO COC[C@@H](O)CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569366 786552160 /nfs/dbraw/zinc/55/21/60/786552160.db2.gz GGDWLAONPYTOKL-OCCSQVGLSA-N 1 0 342.440 -1.653 20 0 EAADRO COC[C@H](O)CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569367 786551562 /nfs/dbraw/zinc/55/15/62/786551562.db2.gz GGDWLAONPYTOKL-TZMCWYRMSA-N 1 0 342.440 -1.653 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)[NH+](C)C ZINC001108569414 786552207 /nfs/dbraw/zinc/55/22/07/786552207.db2.gz HTQYLMFDRSAOJW-IAQYHMDHSA-N 1 0 339.440 -1.541 20 0 EAADRO CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)[NH+](C)C ZINC001108569415 786552364 /nfs/dbraw/zinc/55/23/64/786552364.db2.gz HTQYLMFDRSAOJW-XHDPSFHLSA-N 1 0 339.440 -1.541 20 0 EAADRO Cn1nncc1CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569428 786551386 /nfs/dbraw/zinc/55/13/86/786551386.db2.gz IHSCHMMUBYFXKB-GFCCVEGCSA-N 1 0 349.439 -1.332 20 0 EAADRO Cn1nncc1CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569429 786551700 /nfs/dbraw/zinc/55/17/00/786551700.db2.gz IHSCHMMUBYFXKB-LBPRGKRZSA-N 1 0 349.439 -1.332 20 0 EAADRO CN(C)C(=O)CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569440 786552351 /nfs/dbraw/zinc/55/23/51/786552351.db2.gz IKUYMDGMAVFFIY-GFCCVEGCSA-N 1 0 339.440 -1.572 20 0 EAADRO CN(C)C(=O)CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569441 786552281 /nfs/dbraw/zinc/55/22/81/786552281.db2.gz IKUYMDGMAVFFIY-LBPRGKRZSA-N 1 0 339.440 -1.572 20 0 EAADRO CNC(=O)[C@@H](C)N1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569486 786551769 /nfs/dbraw/zinc/55/17/69/786551769.db2.gz JPKMJSKOCNKTDF-NEPJUHHUSA-N 1 0 339.440 -1.526 20 0 EAADRO CNC(=O)[C@H](C)N1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569487 786552189 /nfs/dbraw/zinc/55/21/89/786552189.db2.gz JPKMJSKOCNKTDF-NWDGAFQWSA-N 1 0 339.440 -1.526 20 0 EAADRO CNC(=O)[C@H](C)N1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569488 786552268 /nfs/dbraw/zinc/55/22/68/786552268.db2.gz JPKMJSKOCNKTDF-RYUDHWBXSA-N 1 0 339.440 -1.526 20 0 EAADRO CNC(=O)[C@@H](C)N1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569489 786552334 /nfs/dbraw/zinc/55/23/34/786552334.db2.gz JPKMJSKOCNKTDF-VXGBXAGGSA-N 1 0 339.440 -1.526 20 0 EAADRO CNC(=O)CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569490 786551553 /nfs/dbraw/zinc/55/15/53/786551553.db2.gz JQKYFCWRGWRCDW-LLVKDONJSA-N 1 0 325.413 -1.915 20 0 EAADRO CNC(=O)CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569491 786552241 /nfs/dbraw/zinc/55/22/41/786552241.db2.gz JQKYFCWRGWRCDW-NSHDSACASA-N 1 0 325.413 -1.915 20 0 EAADRO CCNC(=O)CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569500 786552195 /nfs/dbraw/zinc/55/21/95/786552195.db2.gz JVQBHBQBMLVEHF-GFCCVEGCSA-N 1 0 339.440 -1.525 20 0 EAADRO CCNC(=O)CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569501 786551606 /nfs/dbraw/zinc/55/16/06/786551606.db2.gz JVQBHBQBMLVEHF-LBPRGKRZSA-N 1 0 339.440 -1.525 20 0 EAADRO Cn1ncnc1CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569544 786552007 /nfs/dbraw/zinc/55/20/07/786552007.db2.gz KQKOOEKOLYZONX-GFCCVEGCSA-N 1 0 349.439 -1.332 20 0 EAADRO Cn1ncnc1CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569545 786551645 /nfs/dbraw/zinc/55/16/45/786551645.db2.gz KQKOOEKOLYZONX-LBPRGKRZSA-N 1 0 349.439 -1.332 20 0 EAADRO Cn1cnnc1CN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569579 786552321 /nfs/dbraw/zinc/55/23/21/786552321.db2.gz KUGYBHHAFGNYJL-GFCCVEGCSA-N 1 0 349.439 -1.332 20 0 EAADRO Cn1cnnc1CN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569580 786551448 /nfs/dbraw/zinc/55/14/48/786551448.db2.gz KUGYBHHAFGNYJL-LBPRGKRZSA-N 1 0 349.439 -1.332 20 0 EAADRO Cn1cc(CN2CC(N3C[C@H](NC(=O)CC[NH+](C)C)CC3=O)C2)nn1 ZINC001108569645 786551734 /nfs/dbraw/zinc/55/17/34/786551734.db2.gz MGUGLMPFUOZMTK-GFCCVEGCSA-N 1 0 349.439 -1.332 20 0 EAADRO Cn1cc(CN2CC(N3C[C@@H](NC(=O)CC[NH+](C)C)CC3=O)C2)nn1 ZINC001108569646 786551575 /nfs/dbraw/zinc/55/15/75/786551575.db2.gz MGUGLMPFUOZMTK-LBPRGKRZSA-N 1 0 349.439 -1.332 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CCn3cncn3)C2)C1 ZINC001108569708 786551889 /nfs/dbraw/zinc/55/18/89/786551889.db2.gz OAMBWGHFKCICMQ-CYBMUJFWSA-N 1 0 349.439 -1.369 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CCn3cncn3)C2)C1 ZINC001108569709 786552270 /nfs/dbraw/zinc/55/22/70/786552270.db2.gz OAMBWGHFKCICMQ-ZDUSSCGKSA-N 1 0 349.439 -1.369 20 0 EAADRO Cc1nnc(CN2CC(N3C[C@H](NC(=O)CC[NH+](C)C)CC3=O)C2)[nH]1 ZINC001108569857 786551627 /nfs/dbraw/zinc/55/16/27/786551627.db2.gz QJJBRGZYLIWLOU-GFCCVEGCSA-N 1 0 349.439 -1.034 20 0 EAADRO Cc1nnc(CN2CC(N3C[C@@H](NC(=O)CC[NH+](C)C)CC3=O)C2)[nH]1 ZINC001108569858 786552312 /nfs/dbraw/zinc/55/23/12/786552312.db2.gz QJJBRGZYLIWLOU-LBPRGKRZSA-N 1 0 349.439 -1.034 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CCOCCO)C2)C1 ZINC001108569879 786552229 /nfs/dbraw/zinc/55/22/29/786552229.db2.gz QWACCXYWHHTDLO-CYBMUJFWSA-N 1 0 342.440 -1.652 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CCOCCO)C2)C1 ZINC001108569880 786551820 /nfs/dbraw/zinc/55/18/20/786551820.db2.gz QWACCXYWHHTDLO-ZDUSSCGKSA-N 1 0 342.440 -1.652 20 0 EAADRO Cn1ncc(CN2CC(N3C[C@H](NC(=O)CC[NH+](C)C)CC3=O)C2)n1 ZINC001108570136 786551996 /nfs/dbraw/zinc/55/19/96/786551996.db2.gz WJLJTQNXCCFVKS-GFCCVEGCSA-N 1 0 349.439 -1.332 20 0 EAADRO Cn1ncc(CN2CC(N3C[C@@H](NC(=O)CC[NH+](C)C)CC3=O)C2)n1 ZINC001108570139 786551426 /nfs/dbraw/zinc/55/14/26/786551426.db2.gz WJLJTQNXCCFVKS-LBPRGKRZSA-N 1 0 349.439 -1.332 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1)[NH+](C)C ZINC001108572179 786556232 /nfs/dbraw/zinc/55/62/32/786556232.db2.gz OAJKPGFMWMMWDM-IUODEOHRSA-N 1 0 326.441 -1.034 20 0 EAADRO CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1)[NH+](C)C ZINC001108572180 786556536 /nfs/dbraw/zinc/55/65/36/786556536.db2.gz OAJKPGFMWMMWDM-SWLSCSKDSA-N 1 0 326.441 -1.034 20 0 EAADRO CC[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)[NH+](C)C ZINC001108577118 786555800 /nfs/dbraw/zinc/55/58/00/786555800.db2.gz IJVMXMIKQKHROY-JQWIXIFHSA-N 1 0 325.413 -1.787 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1)[NH+](C)C ZINC001108577119 786555497 /nfs/dbraw/zinc/55/54/97/786555497.db2.gz IJVMXMIKQKHROY-PWSUYJOCSA-N 1 0 325.413 -1.787 20 0 EAADRO CC[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1)[NH+](C)C ZINC001108577712 786556296 /nfs/dbraw/zinc/55/62/96/786556296.db2.gz OABGABODKJDOEW-AAEUAGOBSA-N 1 0 339.440 -1.526 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1)[NH+](C)C ZINC001108577713 786556258 /nfs/dbraw/zinc/55/62/58/786556258.db2.gz OABGABODKJDOEW-YPMHNXCESA-N 1 0 339.440 -1.526 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 ZINC001108581136 786558679 /nfs/dbraw/zinc/55/86/79/786558679.db2.gz IZEDNFAPKMAVCB-NEPJUHHUSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108581137 786559890 /nfs/dbraw/zinc/55/98/90/786559890.db2.gz IZEDNFAPKMAVCB-NWDGAFQWSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108581138 786559200 /nfs/dbraw/zinc/55/92/00/786559200.db2.gz IZEDNFAPKMAVCB-RYUDHWBXSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 ZINC001108581139 786558806 /nfs/dbraw/zinc/55/88/06/786558806.db2.gz IZEDNFAPKMAVCB-VXGBXAGGSA-N 1 0 339.440 -1.397 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001108581515 786559833 /nfs/dbraw/zinc/55/98/33/786559833.db2.gz RCMWYNKEEGATRW-GFCCVEGCSA-N 1 0 333.396 -1.126 20 0 EAADRO O=C(CCn1cnnn1)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001108581516 786558666 /nfs/dbraw/zinc/55/86/66/786558666.db2.gz RCMWYNKEEGATRW-LBPRGKRZSA-N 1 0 333.396 -1.126 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108581609 786559619 /nfs/dbraw/zinc/55/96/19/786559619.db2.gz UUZSXSWSQWODDS-LLVKDONJSA-N 1 0 325.413 -1.785 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108581610 786559405 /nfs/dbraw/zinc/55/94/05/786559405.db2.gz UUZSXSWSQWODDS-NSHDSACASA-N 1 0 325.413 -1.785 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 ZINC001108581663 786559280 /nfs/dbraw/zinc/55/92/80/786559280.db2.gz WHLSLWLIPQXJIZ-GFCCVEGCSA-N 1 0 339.440 -1.525 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 ZINC001108581664 786559867 /nfs/dbraw/zinc/55/98/67/786559867.db2.gz WHLSLWLIPQXJIZ-LBPRGKRZSA-N 1 0 339.440 -1.525 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 ZINC001108582856 786559637 /nfs/dbraw/zinc/55/96/37/786559637.db2.gz FGUQOOIPJABFLY-GFCCVEGCSA-N 1 0 339.440 -1.525 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 ZINC001108582857 786559172 /nfs/dbraw/zinc/55/91/72/786559172.db2.gz FGUQOOIPJABFLY-LBPRGKRZSA-N 1 0 339.440 -1.525 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 ZINC001108584144 786561034 /nfs/dbraw/zinc/56/10/34/786561034.db2.gz AUYGXHDVOZRFNR-NEPJUHHUSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108584145 786561132 /nfs/dbraw/zinc/56/11/32/786561132.db2.gz AUYGXHDVOZRFNR-NWDGAFQWSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108584146 786561058 /nfs/dbraw/zinc/56/10/58/786561058.db2.gz AUYGXHDVOZRFNR-RYUDHWBXSA-N 1 0 339.440 -1.397 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 ZINC001108584147 786560891 /nfs/dbraw/zinc/56/08/91/786560891.db2.gz AUYGXHDVOZRFNR-VXGBXAGGSA-N 1 0 339.440 -1.397 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108584321 786560686 /nfs/dbraw/zinc/56/06/86/786560686.db2.gz FMGIZCZRGXZTEZ-GFCCVEGCSA-N 1 0 328.413 -2.042 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108584322 786560605 /nfs/dbraw/zinc/56/06/05/786560605.db2.gz FMGIZCZRGXZTEZ-LBPRGKRZSA-N 1 0 328.413 -2.042 20 0 EAADRO COCCN1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108584341 786560820 /nfs/dbraw/zinc/56/08/20/786560820.db2.gz FSNUZPJIKKCLPE-CYBMUJFWSA-N 1 0 342.440 -1.388 20 0 EAADRO COCCN1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108584342 786560735 /nfs/dbraw/zinc/56/07/35/786560735.db2.gz FSNUZPJIKKCLPE-ZDUSSCGKSA-N 1 0 342.440 -1.388 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 ZINC001108585334 786562341 /nfs/dbraw/zinc/56/23/41/786562341.db2.gz RBIJTFJZUWIYFI-CYBMUJFWSA-N 1 0 342.440 -1.652 20 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/nfs/dbraw/zinc/56/09/38/786560938.db2.gz DSWUHXKKYXAGCE-GFCCVEGCSA-N 1 0 339.440 -1.395 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108586801 786560370 /nfs/dbraw/zinc/56/03/70/786560370.db2.gz DSWUHXKKYXAGCE-LBPRGKRZSA-N 1 0 339.440 -1.395 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 ZINC001108587220 786561125 /nfs/dbraw/zinc/56/11/25/786561125.db2.gz JMTJSZRMROBPSZ-NEPJUHHUSA-N 1 0 339.440 -1.397 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108587222 786561148 /nfs/dbraw/zinc/56/11/48/786561148.db2.gz JMTJSZRMROBPSZ-NWDGAFQWSA-N 1 0 339.440 -1.397 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108587224 786560099 /nfs/dbraw/zinc/56/00/99/786560099.db2.gz JMTJSZRMROBPSZ-RYUDHWBXSA-N 1 0 339.440 -1.397 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 ZINC001108587227 786560749 /nfs/dbraw/zinc/56/07/49/786560749.db2.gz JMTJSZRMROBPSZ-VXGBXAGGSA-N 1 0 339.440 -1.397 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108587503 786561263 /nfs/dbraw/zinc/56/12/63/786561263.db2.gz PEUVRLWPUAZETA-LLVKDONJSA-N 1 0 325.413 -1.785 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108587504 786560641 /nfs/dbraw/zinc/56/06/41/786560641.db2.gz PEUVRLWPUAZETA-NSHDSACASA-N 1 0 325.413 -1.785 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108587864 786562199 /nfs/dbraw/zinc/56/21/99/786562199.db2.gz WZYSNXLJUFDSKY-LLVKDONJSA-N 1 0 341.412 -2.549 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108587865 786562811 /nfs/dbraw/zinc/56/28/11/786562811.db2.gz WZYSNXLJUFDSKY-NSHDSACASA-N 1 0 341.412 -2.549 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 ZINC001108587868 786562878 /nfs/dbraw/zinc/56/28/78/786562878.db2.gz XCCBBUPUBXIPPK-GFCCVEGCSA-N 1 0 330.404 -1.065 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 ZINC001108587869 786562657 /nfs/dbraw/zinc/56/26/57/786562657.db2.gz XCCBBUPUBXIPPK-LBPRGKRZSA-N 1 0 330.404 -1.065 20 0 EAADRO C[C@@H](O)CN1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588046 786562273 /nfs/dbraw/zinc/56/22/73/786562273.db2.gz ZHILYXSZBKEZJI-CHWSQXEVSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H](O)CN1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588047 786562530 /nfs/dbraw/zinc/56/25/30/786562530.db2.gz ZHILYXSZBKEZJI-OLZOCXBDSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@H](O)CN1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588048 786562121 /nfs/dbraw/zinc/56/21/21/786562121.db2.gz ZHILYXSZBKEZJI-QWHCGFSZSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@H](O)CN1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588049 786562314 /nfs/dbraw/zinc/56/23/14/786562314.db2.gz ZHILYXSZBKEZJI-STQMWFEESA-N 1 0 342.440 -1.653 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108588327 786563873 /nfs/dbraw/zinc/56/38/73/786563873.db2.gz DXTZKWYZNBOPPV-GFCCVEGCSA-N 1 0 339.440 -1.395 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001108588328 786563800 /nfs/dbraw/zinc/56/38/00/786563800.db2.gz DXTZKWYZNBOPPV-LBPRGKRZSA-N 1 0 339.440 -1.395 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC(C)C)C2)C1 ZINC001108590647 786566464 /nfs/dbraw/zinc/56/64/64/786566464.db2.gz OILOQXZVPHUYGR-LLVKDONJSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC(C)C)C2)C1 ZINC001108590650 786566832 /nfs/dbraw/zinc/56/68/32/786566832.db2.gz OILOQXZVPHUYGR-NSHDSACASA-N 1 0 346.453 -1.407 20 0 EAADRO CCCC[NH+]1CC(N2C[C@H](NC(=O)CS(=O)(=O)NC)CC2=O)C1 ZINC001108591069 786566209 /nfs/dbraw/zinc/56/62/09/786566209.db2.gz RZCJHSPYVGTZOH-LLVKDONJSA-N 1 0 346.453 -1.263 20 0 EAADRO CCCC[NH+]1CC(N2C[C@@H](NC(=O)CS(=O)(=O)NC)CC2=O)C1 ZINC001108591070 786566966 /nfs/dbraw/zinc/56/69/66/786566966.db2.gz RZCJHSPYVGTZOH-NSHDSACASA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001108591482 786566691 /nfs/dbraw/zinc/56/66/91/786566691.db2.gz ZRNSFVVHFKRRSW-LLVKDONJSA-N 1 0 344.437 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001108591483 786566022 /nfs/dbraw/zinc/56/60/22/786566022.db2.gz ZRNSFVVHFKRRSW-NSHDSACASA-N 1 0 344.437 -1.653 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 ZINC001108592196 786567888 /nfs/dbraw/zinc/56/78/88/786567888.db2.gz OZVUDQRKKIJKAR-NEPJUHHUSA-N 1 0 339.440 -1.398 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108592197 786567645 /nfs/dbraw/zinc/56/76/45/786567645.db2.gz OZVUDQRKKIJKAR-NWDGAFQWSA-N 1 0 339.440 -1.398 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 ZINC001108592198 786567987 /nfs/dbraw/zinc/56/79/87/786567987.db2.gz OZVUDQRKKIJKAR-RYUDHWBXSA-N 1 0 339.440 -1.398 20 0 EAADRO 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340.424 -1.005 20 0 EAADRO COC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734839 791415852 /nfs/dbraw/zinc/41/58/52/791415852.db2.gz IXLXJTYYVQEFKM-ZRJCITRHSA-N 1 0 340.424 -1.005 20 0 EAADRO COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744963 791416948 /nfs/dbraw/zinc/41/69/48/791416948.db2.gz WMEJLGASKLIGBH-LPWJVIDDSA-N 1 0 339.396 -1.689 20 0 EAADRO COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744964 791416786 /nfs/dbraw/zinc/41/67/86/791416786.db2.gz WMEJLGASKLIGBH-XQHKEYJVSA-N 1 0 339.396 -1.689 20 0 EAADRO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)c1=O ZINC001110745008 791416448 /nfs/dbraw/zinc/41/64/48/791416448.db2.gz YBTDCCKPUDWIIU-UPJWGTAASA-N 1 0 339.396 -1.688 20 0 EAADRO CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)NC)C2 ZINC001110858472 791471298 /nfs/dbraw/zinc/47/12/98/791471298.db2.gz APGZMECNNURHBQ-UTUOFQBUSA-N 1 0 334.442 -1.202 20 0 EAADRO 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CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@H](C)O ZINC001110861618 791471539 /nfs/dbraw/zinc/47/15/39/791471539.db2.gz XQCWWQMSJXHHOM-LOWDOPEQSA-N 1 0 348.469 -1.077 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@@H](C)O ZINC001110861619 791471256 /nfs/dbraw/zinc/47/12/56/791471256.db2.gz XQCWWQMSJXHHOM-LPWJVIDDSA-N 1 0 348.469 -1.077 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)OC ZINC001110861655 791471406 /nfs/dbraw/zinc/47/14/06/791471406.db2.gz YUBXXKZCNMOXJV-KKOKHZNYSA-N 1 0 334.442 -1.203 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)OC ZINC001110861656 791471178 /nfs/dbraw/zinc/47/11/78/791471178.db2.gz YUBXXKZCNMOXJV-QCNOEVLYSA-N 1 0 334.442 -1.203 20 0 EAADRO COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001110885873 791583061 /nfs/dbraw/zinc/58/30/61/791583061.db2.gz AACGUNJYAJEHLA-RQJABVFESA-N 1 0 340.424 -1.853 20 0 EAADRO COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001110885874 791583684 /nfs/dbraw/zinc/58/36/84/791583684.db2.gz AACGUNJYAJEHLA-SYQHCUMBSA-N 1 0 340.424 -1.853 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110885897 791583228 /nfs/dbraw/zinc/58/32/28/791583228.db2.gz BGSIULAOPUKEAM-MCIONIFRSA-N 1 0 340.424 -1.851 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)NC1=O ZINC001110891215 791583645 /nfs/dbraw/zinc/58/36/45/791583645.db2.gz WDLOFGLFAFHNOR-LPWJVIDDSA-N 1 0 326.397 -1.260 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)NC1=O ZINC001110891216 791583037 /nfs/dbraw/zinc/58/30/37/791583037.db2.gz WDLOFGLFAFHNOR-NDBYEHHHSA-N 1 0 326.397 -1.260 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110963190 791587162 /nfs/dbraw/zinc/58/71/62/791587162.db2.gz RDLBMLJOXKBMDF-UPJWGTAASA-N 1 0 349.453 -1.215 20 0 EAADRO 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ZINC001111039558 791594042 /nfs/dbraw/zinc/59/40/42/791594042.db2.gz KDKJRHWTNMSNFT-XHDPSFHLSA-N 1 0 346.395 -1.329 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111039943 791594008 /nfs/dbraw/zinc/59/40/08/791594008.db2.gz SKNCDMKWCKLYAG-ABAIWWIYSA-N 1 0 346.395 -1.329 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111039944 791593735 /nfs/dbraw/zinc/59/37/35/791593735.db2.gz SKNCDMKWCKLYAG-IAQYHMDHSA-N 1 0 346.395 -1.329 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111039945 791592421 /nfs/dbraw/zinc/59/24/21/791592421.db2.gz SKNCDMKWCKLYAG-NHYWBVRUSA-N 1 0 346.395 -1.329 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111039946 791592295 /nfs/dbraw/zinc/59/22/95/791592295.db2.gz SKNCDMKWCKLYAG-XHDPSFHLSA-N 1 0 346.395 -1.329 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111068328 791599999 /nfs/dbraw/zinc/59/99/99/791599999.db2.gz 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QNDMAONXSWBRNF-DBIOUOCHSA-N 1 0 347.441 -2.022 20 0 EAADRO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001111076642 791602108 /nfs/dbraw/zinc/60/21/08/791602108.db2.gz QNDMAONXSWBRNF-ZDCRXTMVSA-N 1 0 347.441 -2.022 20 0 EAADRO COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001111076706 791603500 /nfs/dbraw/zinc/60/35/00/791603500.db2.gz SXAMLWYTMBXNDG-UTUOFQBUSA-N 1 0 334.442 -1.250 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111077278 791602315 /nfs/dbraw/zinc/60/23/15/791602315.db2.gz LRKXLQMECLSGAX-HNNXBMFYSA-N 1 0 346.395 -1.328 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111077279 791602467 /nfs/dbraw/zinc/60/24/67/791602467.db2.gz LRKXLQMECLSGAX-OAHLLOKOSA-N 1 0 346.395 -1.328 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(c3ccc4nnnn4n3)C2)C1 ZINC001111077528 791603864 /nfs/dbraw/zinc/60/38/64/791603864.db2.gz RRVKIPDVBPOPTJ-ABAIWWIYSA-N 1 0 346.395 -1.472 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(c3ccc4nnnn4n3)C2)C1 ZINC001111077529 791603297 /nfs/dbraw/zinc/60/32/97/791603297.db2.gz RRVKIPDVBPOPTJ-IAQYHMDHSA-N 1 0 346.395 -1.472 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(c3ccc4nnnn4n3)C2)C1 ZINC001111077530 791603407 /nfs/dbraw/zinc/60/34/07/791603407.db2.gz RRVKIPDVBPOPTJ-NHYWBVRUSA-N 1 0 346.395 -1.472 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(c3ccc4nnnn4n3)C2)C1 ZINC001111077531 791603937 /nfs/dbraw/zinc/60/39/37/791603937.db2.gz RRVKIPDVBPOPTJ-XHDPSFHLSA-N 1 0 346.395 -1.472 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111077580 791603259 /nfs/dbraw/zinc/60/32/59/791603259.db2.gz SUQRNAJCROTSSV-HNNXBMFYSA-N 1 0 346.395 -1.328 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111077581 791603398 /nfs/dbraw/zinc/60/33/98/791603398.db2.gz SUQRNAJCROTSSV-OAHLLOKOSA-N 1 0 346.395 -1.328 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(c3nccn4nnnc34)C2)C1 ZINC001111077592 791603634 /nfs/dbraw/zinc/60/36/34/791603634.db2.gz TVDPBZSDROTPLP-ABAIWWIYSA-N 1 0 346.395 -1.472 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(c3nccn4nnnc34)C2)C1 ZINC001111077593 791603387 /nfs/dbraw/zinc/60/33/87/791603387.db2.gz TVDPBZSDROTPLP-IAQYHMDHSA-N 1 0 346.395 -1.472 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(c3nccn4nnnc34)C2)C1 ZINC001111077594 791603833 /nfs/dbraw/zinc/60/38/33/791603833.db2.gz TVDPBZSDROTPLP-NHYWBVRUSA-N 1 0 346.395 -1.472 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(c3nccn4nnnc34)C2)C1 ZINC001111077595 791603788 /nfs/dbraw/zinc/60/37/88/791603788.db2.gz TVDPBZSDROTPLP-XHDPSFHLSA-N 1 0 346.395 -1.472 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111078781 791604005 /nfs/dbraw/zinc/60/40/05/791604005.db2.gz KSCFQJJVYNNMHF-HNNXBMFYSA-N 1 0 348.411 -1.083 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111078782 791603580 /nfs/dbraw/zinc/60/35/80/791603580.db2.gz KSCFQJJVYNNMHF-OAHLLOKOSA-N 1 0 348.411 -1.083 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111079187 791603605 /nfs/dbraw/zinc/60/36/05/791603605.db2.gz YANHBKCKDLWHDT-HNNXBMFYSA-N 1 0 348.411 -1.083 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111079188 791603810 /nfs/dbraw/zinc/60/38/10/791603810.db2.gz YANHBKCKDLWHDT-OAHLLOKOSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111079869 791603676 /nfs/dbraw/zinc/60/36/76/791603676.db2.gz AHFZNALRKKPYOF-HNNXBMFYSA-N 1 0 348.411 -1.082 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111079870 791603726 /nfs/dbraw/zinc/60/37/26/791603726.db2.gz AHFZNALRKKPYOF-OAHLLOKOSA-N 1 0 348.411 -1.082 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111080443 791603371 /nfs/dbraw/zinc/60/33/71/791603371.db2.gz OGJAHVNNYIYITE-HNNXBMFYSA-N 1 0 348.411 -1.082 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111080444 791604540 /nfs/dbraw/zinc/60/45/40/791604540.db2.gz OGJAHVNNYIYITE-OAHLLOKOSA-N 1 0 348.411 -1.082 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1)[NH+](C)C ZINC001111088721 791606541 /nfs/dbraw/zinc/60/65/41/791606541.db2.gz DZQAVFSLJUBILY-ABAIWWIYSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1)[NH+](C)C ZINC001111088722 791606776 /nfs/dbraw/zinc/60/67/76/791606776.db2.gz DZQAVFSLJUBILY-IAQYHMDHSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1)[NH+](C)C ZINC001111088723 791606798 /nfs/dbraw/zinc/60/67/98/791606798.db2.gz DZQAVFSLJUBILY-NHYWBVRUSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1)[NH+](C)C ZINC001111088724 791606011 /nfs/dbraw/zinc/60/60/11/791606011.db2.gz DZQAVFSLJUBILY-XHDPSFHLSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1)[NH+](C)C ZINC001111089327 791605804 /nfs/dbraw/zinc/60/58/04/791605804.db2.gz QMBAHLWTELQMNS-ABAIWWIYSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[C@H](C(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1)[NH+](C)C ZINC001111089328 791605685 /nfs/dbraw/zinc/60/56/85/791605685.db2.gz QMBAHLWTELQMNS-IAQYHMDHSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1)[NH+](C)C ZINC001111089329 791606790 /nfs/dbraw/zinc/60/67/90/791606790.db2.gz QMBAHLWTELQMNS-NHYWBVRUSA-N 1 0 348.411 -1.083 20 0 EAADRO CC[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1)[NH+](C)C ZINC001111089330 791606386 /nfs/dbraw/zinc/60/63/86/791606386.db2.gz QMBAHLWTELQMNS-XHDPSFHLSA-N 1 0 348.411 -1.083 20 0 EAADRO COCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001111091803 791607659 /nfs/dbraw/zinc/60/76/59/791607659.db2.gz ARZRGQRBLKSFRC-KKOKHZNYSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001111091804 791607218 /nfs/dbraw/zinc/60/72/18/791607218.db2.gz ARZRGQRBLKSFRC-QCNOEVLYSA-N 1 0 342.396 -1.046 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111094480 791607029 /nfs/dbraw/zinc/60/70/29/791607029.db2.gz AOKNEGYEJKBGAB-HNNXBMFYSA-N 1 0 348.411 -1.082 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111094481 791608002 /nfs/dbraw/zinc/60/80/02/791608002.db2.gz AOKNEGYEJKBGAB-OAHLLOKOSA-N 1 0 348.411 -1.082 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111095216 791607982 /nfs/dbraw/zinc/60/79/82/791607982.db2.gz YHCJMARZLUANQW-HNNXBMFYSA-N 1 0 348.411 -1.082 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111095217 791608082 /nfs/dbraw/zinc/60/80/82/791608082.db2.gz YHCJMARZLUANQW-OAHLLOKOSA-N 1 0 348.411 -1.082 20 0 EAADRO COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C2 ZINC001111105983 791610523 /nfs/dbraw/zinc/61/05/23/791610523.db2.gz VDISZKSKFUMBLS-NDBYEHHHSA-N 1 0 326.397 -1.266 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)C(N)=O ZINC001111106015 791610085 /nfs/dbraw/zinc/61/00/85/791610085.db2.gz WQJFKIQPCCQECV-NDBYEHHHSA-N 1 0 326.397 -1.530 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111123085 791616940 /nfs/dbraw/zinc/61/69/40/791616940.db2.gz KXRVAMWGVIOHIY-HNNXBMFYSA-N 1 0 348.411 -1.082 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111123086 791616368 /nfs/dbraw/zinc/61/63/68/791616368.db2.gz KXRVAMWGVIOHIY-OAHLLOKOSA-N 1 0 348.411 -1.082 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111123139 791617169 /nfs/dbraw/zinc/61/71/69/791617169.db2.gz MFKWUSYOUYEIGY-HNNXBMFYSA-N 1 0 348.411 -1.082 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111123140 791616813 /nfs/dbraw/zinc/61/68/13/791616813.db2.gz MFKWUSYOUYEIGY-OAHLLOKOSA-N 1 0 348.411 -1.082 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111123911 791617158 /nfs/dbraw/zinc/61/71/58/791617158.db2.gz AAZZZQCJPQOVSU-AWEZNQCLSA-N 1 0 334.384 -1.472 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001111123912 791617263 /nfs/dbraw/zinc/61/72/63/791617263.db2.gz AAZZZQCJPQOVSU-CQSZACIVSA-N 1 0 334.384 -1.472 20 0 EAADRO Cn1nnc2c1ncnc2N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001111124039 791617351 /nfs/dbraw/zinc/61/73/51/791617351.db2.gz CEELPRNWMMGJFX-HNNXBMFYSA-N 1 0 348.411 -1.233 20 0 EAADRO Cn1nnc2c1ncnc2N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001111124041 791617340 /nfs/dbraw/zinc/61/73/40/791617340.db2.gz CEELPRNWMMGJFX-OAHLLOKOSA-N 1 0 348.411 -1.233 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111124899 791617689 /nfs/dbraw/zinc/61/76/89/791617689.db2.gz YKNXXMNBVDVDOK-AWEZNQCLSA-N 1 0 334.384 -1.472 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1 ZINC001111124900 791617756 /nfs/dbraw/zinc/61/77/56/791617756.db2.gz YKNXXMNBVDVDOK-CQSZACIVSA-N 1 0 334.384 -1.472 20 0 EAADRO CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001111141063 791621205 /nfs/dbraw/zinc/62/12/05/791621205.db2.gz FOHNJHMRMXPJHU-UTUOFQBUSA-N 1 0 336.392 -1.103 20 0 EAADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)C1CC(=O)NC(=O)C1 ZINC001111141501 791620762 /nfs/dbraw/zinc/62/07/62/791620762.db2.gz ZHBCPMAYZZXUOL-UPJWGTAASA-N 1 0 339.392 -1.230 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001111153422 791621695 /nfs/dbraw/zinc/62/16/95/791621695.db2.gz KGYVICILWGUBFT-LPWJVIDDSA-N 1 0 326.397 -1.530 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001111153424 791622426 /nfs/dbraw/zinc/62/24/26/791622426.db2.gz KGYVICILWGUBFT-XQHKEYJVSA-N 1 0 326.397 -1.530 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001111153989 791622651 /nfs/dbraw/zinc/62/26/51/791622651.db2.gz WCLKHVSZOBTTSJ-RQJABVFESA-N 1 0 340.424 -1.140 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001111153990 791622120 /nfs/dbraw/zinc/62/21/20/791622120.db2.gz WCLKHVSZOBTTSJ-SYQHCUMBSA-N 1 0 340.424 -1.140 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111158929 791622358 /nfs/dbraw/zinc/62/23/58/791622358.db2.gz KZCBREJJCUIIEQ-UTUOFQBUSA-N 1 0 340.380 -1.731 20 0 EAADRO COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111158998 791622302 /nfs/dbraw/zinc/62/23/02/791622302.db2.gz OEGTUVOADOMZTK-KKOKHZNYSA-N 1 0 340.380 -1.733 20 0 EAADRO COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111158999 791621977 /nfs/dbraw/zinc/62/19/77/791621977.db2.gz OEGTUVOADOMZTK-KXNHARMFSA-N 1 0 340.380 -1.733 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111181527 791626033 /nfs/dbraw/zinc/62/60/33/791626033.db2.gz AOZJRUWAIPLZJM-UPJWGTAASA-N 1 0 348.411 -1.190 20 0 EAADRO CC[NH+](CC)CC(=O)N(C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001111184345 791627226 /nfs/dbraw/zinc/62/72/26/791627226.db2.gz BJKXALDDQAPECT-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CC[NH+](CC)CC(=O)N(C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001111184671 791627209 /nfs/dbraw/zinc/62/72/09/791627209.db2.gz ZQSGTIGBOSWLJB-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001111185634 791627127 /nfs/dbraw/zinc/62/71/27/791627127.db2.gz PVUIUUMQTLAEDV-RYUDHWBXSA-N 1 0 348.411 -1.133 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001111185788 791627432 /nfs/dbraw/zinc/62/74/32/791627432.db2.gz XAHFFOYDMZNYQQ-RYUDHWBXSA-N 1 0 348.411 -1.133 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)[NH+](C)C ZINC001111186184 791627866 /nfs/dbraw/zinc/62/78/66/791627866.db2.gz DHPMMTYJRLAKKN-SRVKXCTJSA-N 1 0 348.411 -1.133 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)[NH+](C)C ZINC001111186186 791627554 /nfs/dbraw/zinc/62/75/54/791627554.db2.gz DHPMMTYJRLAKKN-WOPDTQHZSA-N 1 0 348.411 -1.133 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O)[NH+](C)C ZINC001111186303 791627696 /nfs/dbraw/zinc/62/76/96/791627696.db2.gz HLUAPNTUOHZOAE-SRVKXCTJSA-N 1 0 348.411 -1.133 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O)[NH+](C)C ZINC001111186304 791626960 /nfs/dbraw/zinc/62/69/60/791626960.db2.gz HLUAPNTUOHZOAE-WOPDTQHZSA-N 1 0 348.411 -1.133 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001111187890 791627511 /nfs/dbraw/zinc/62/75/11/791627511.db2.gz VLIMIBGLRMBKDS-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001111187930 791627737 /nfs/dbraw/zinc/62/77/37/791627737.db2.gz XVSCEXAPJTWBMX-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001111189511 791627467 /nfs/dbraw/zinc/62/74/67/791627467.db2.gz PMKXGSCAZCRFFO-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001111189634 791627611 /nfs/dbraw/zinc/62/76/11/791627611.db2.gz WUHDDOHPGPYMEH-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C(=O)CCC[NH+](C)C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001111196502 791629070 /nfs/dbraw/zinc/62/90/70/791629070.db2.gz GKKPBFPZFZQBEN-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C(=O)CCC[NH+](C)C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001111196564 791628591 /nfs/dbraw/zinc/62/85/91/791628591.db2.gz IMYSXYXGTOSPGG-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C(=O)CC[NH+](C)C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001111197861 791628948 /nfs/dbraw/zinc/62/89/48/791628948.db2.gz VLRSSSQICMLNQH-QWRGUYRKSA-N 1 0 334.384 -1.521 20 0 EAADRO CN(C(=O)CC[NH+](C)C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001111197926 791629201 /nfs/dbraw/zinc/62/92/01/791629201.db2.gz YYKJMVCKJXQIQY-QWRGUYRKSA-N 1 0 334.384 -1.521 20 0 EAADRO CN(C(=O)CC[NH+](C)C)[C@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O ZINC001111197952 791629162 /nfs/dbraw/zinc/62/91/62/791629162.db2.gz ZXFTWPUCRDFJOY-QWRGUYRKSA-N 1 0 348.411 -1.282 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO 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C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCS(N)(=O)=O)C1 ZINC001111856924 792587770 /nfs/dbraw/zinc/58/77/70/792587770.db2.gz NTVGBHMSVYRPAE-MJVIPROJSA-N 1 0 346.453 -1.100 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCS(N)(=O)=O)C1 ZINC001111856925 792588651 /nfs/dbraw/zinc/58/86/51/792588651.db2.gz NTVGBHMSVYRPAE-SUNKGSAMSA-N 1 0 346.453 -1.100 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857004 792587185 /nfs/dbraw/zinc/58/71/85/792587185.db2.gz QVXDNRWMDNRLML-WFASDCNBSA-N 1 0 326.397 -1.405 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857032 792588475 /nfs/dbraw/zinc/58/84/75/792588475.db2.gz RYCKLOWEXSMKLZ-FZMZJTMJSA-N 1 0 346.453 -1.276 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857041 792587330 /nfs/dbraw/zinc/58/73/30/792587330.db2.gz SMZMIALGGXOLLR-HUBLWGQQSA-N 1 0 329.397 -1.534 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857042 785157750 /nfs/dbraw/zinc/15/77/50/785157750.db2.gz SMZMIALGGXOLLR-ZOWXZIJZSA-N 1 0 329.397 -1.534 20 0 EAADRO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCS(N)(=O)=O)C1 ZINC001111858893 792587314 /nfs/dbraw/zinc/58/73/14/792587314.db2.gz DTVDVOLRZNBVSY-FZMZJTMJSA-N 1 0 346.453 -1.228 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111885504 792589667 /nfs/dbraw/zinc/58/96/67/792589667.db2.gz RAISODIXHQRIEP-AAEUAGOBSA-N 1 0 334.442 -1.655 20 0 EAADRO COCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001111885574 792590875 /nfs/dbraw/zinc/59/08/75/792590875.db2.gz UDPHGLTZFNVMIX-JSGCOSHPSA-N 1 0 348.469 -1.001 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001111885640 785203485 /nfs/dbraw/zinc/20/34/85/785203485.db2.gz WXBZWOQDAGERGC-DYEKYZERSA-N 1 0 348.469 -1.266 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001111885641 785202172 /nfs/dbraw/zinc/20/21/72/785202172.db2.gz WXBZWOQDAGERGC-OBJOEFQTSA-N 1 0 348.469 -1.266 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2 ZINC001111885657 792591032 /nfs/dbraw/zinc/59/10/32/792591032.db2.gz XTIXFHJFNVEDJU-JSGCOSHPSA-N 1 0 348.469 -1.265 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2)C(N)=O ZINC001111893442 792590531 /nfs/dbraw/zinc/59/05/31/792590531.db2.gz AVLFUDSVDWEUIH-HUBLWGQQSA-N 1 0 326.397 -1.671 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2)C(N)=O ZINC001111893478 792590907 /nfs/dbraw/zinc/59/09/07/792590907.db2.gz CVAFDLRSZGHURN-XEZPLFJOSA-N 1 0 340.424 -1.280 20 0 EAADRO COCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001111893718 792589838 /nfs/dbraw/zinc/58/98/38/792589838.db2.gz QYCKZAKHDCFJDK-XEZPLFJOSA-N 1 0 340.424 -1.016 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111903738 792590349 /nfs/dbraw/zinc/59/03/49/792590349.db2.gz MYZVAJOTERPJLD-LRDDRELGSA-N 1 0 336.392 -1.110 20 0 EAADRO O=C(CCn1cnnn1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001111914160 792590028 /nfs/dbraw/zinc/59/00/28/792590028.db2.gz VRHRUALMRIUNQH-HUBLWGQQSA-N 1 0 333.396 -1.078 20 0 EAADRO O=C(CCn1cnnn1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001111914161 792590618 /nfs/dbraw/zinc/59/06/18/792590618.db2.gz VRHRUALMRIUNQH-ZOWXZIJZSA-N 1 0 333.396 -1.078 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)Cc2nc[nH]n2)C1 ZINC001111928874 792589911 /nfs/dbraw/zinc/58/99/11/792589911.db2.gz MEKLRCPYIKOMOK-XPTSAGLGSA-N 1 0 335.368 -1.487 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)Cc2nc[nH]n2)C1 ZINC001111929157 792590164 /nfs/dbraw/zinc/59/01/64/792590164.db2.gz XOSBIGPRPZSKOZ-BONVTDFDSA-N 1 0 349.395 -1.227 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2nc[nH]n2)C1 ZINC001111934367 792590216 /nfs/dbraw/zinc/59/02/16/792590216.db2.gz YGAAEHYLLHWCII-FTGAXOIBSA-N 1 0 349.395 -1.099 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2nc[nH]n2)C1 ZINC001111934368 792590499 /nfs/dbraw/zinc/59/04/99/792590499.db2.gz YGAAEHYLLHWCII-YHAQOWFVSA-N 1 0 349.395 -1.099 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cncn2)C1 ZINC001111971939 792592907 /nfs/dbraw/zinc/59/29/07/792592907.db2.gz PEPOLKMFODZPOU-PGUXBMHVSA-N 1 0 349.395 -1.168 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cncn2)C1 ZINC001111971941 792592674 /nfs/dbraw/zinc/59/26/74/792592674.db2.gz PEPOLKMFODZPOU-ZETOZRRWSA-N 1 0 349.395 -1.168 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001111988492 792591984 /nfs/dbraw/zinc/59/19/84/792591984.db2.gz JUGSKXNMJVQXFS-MJVIPROJSA-N 1 0 344.437 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001111988493 792592952 /nfs/dbraw/zinc/59/29/52/792592952.db2.gz JUGSKXNMJVQXFS-WDMOLILDSA-N 1 0 344.437 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111988498 792592127 /nfs/dbraw/zinc/59/21/27/792592127.db2.gz KCIMKPZHKYDJMC-JSGCOSHPSA-N 1 0 349.453 -1.485 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COC)C2 ZINC001111988770 785257816 /nfs/dbraw/zinc/25/78/16/785257816.db2.gz SBAZJJTXFCTQNG-OBJOEFQTSA-N 1 0 349.453 -1.486 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)COC)C2 ZINC001111988771 785256659 /nfs/dbraw/zinc/25/66/59/785256659.db2.gz SBAZJJTXFCTQNG-SCRDCRAPSA-N 1 0 349.453 -1.486 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001112004162 792592653 /nfs/dbraw/zinc/59/26/53/792592653.db2.gz NVEOYVOAAQUVEX-WFASDCNBSA-N 1 0 336.396 -1.643 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F)C(N)=O ZINC001112045557 792593012 /nfs/dbraw/zinc/59/30/12/792593012.db2.gz BTIDQMJJZGFGAW-BWZBUEFSSA-N 1 0 339.318 -1.103 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F)C(N)=O ZINC001112045558 792592581 /nfs/dbraw/zinc/59/25/81/792592581.db2.gz BTIDQMJJZGFGAW-GJMOJQLCSA-N 1 0 339.318 -1.103 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112045569 792592933 /nfs/dbraw/zinc/59/29/33/792592933.db2.gz CCXOVUQMQIQHKQ-RKDXNWHRSA-N 1 0 342.318 -1.358 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112045817 785284583 /nfs/dbraw/zinc/28/45/83/785284583.db2.gz OLQIBXNRJIRAKU-RKDXNWHRSA-N 1 0 349.317 -1.075 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F ZINC001112045869 792592888 /nfs/dbraw/zinc/59/28/88/792592888.db2.gz QUSHLQBCNYZXNM-DJLDLDEBSA-N 1 0 342.318 -1.359 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F ZINC001112045870 792591567 /nfs/dbraw/zinc/59/15/67/792591567.db2.gz QUSHLQBCNYZXNM-IWSPIJDZSA-N 1 0 342.318 -1.359 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112066903 785291748 /nfs/dbraw/zinc/29/17/48/785291748.db2.gz LPFHSDINBVFSSC-IWSPIJDZSA-N 1 0 336.314 -1.010 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073103 792592214 /nfs/dbraw/zinc/59/22/14/792592214.db2.gz BMMYXPLNZROHGR-DJLDLDEBSA-N 1 0 327.303 -1.152 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073104 792591950 /nfs/dbraw/zinc/59/19/50/792591950.db2.gz BMMYXPLNZROHGR-IWSPIJDZSA-N 1 0 327.303 -1.152 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112073519 792594209 /nfs/dbraw/zinc/59/42/09/792594209.db2.gz TWOFLOTZELJACW-RKDXNWHRSA-N 1 0 327.303 -1.150 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(N)=O)C1 ZINC001112096294 785328608 /nfs/dbraw/zinc/32/86/08/785328608.db2.gz IACTXHZDXBPNFL-HTQZYQBOSA-N 1 0 339.318 -1.230 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112102316 792593506 /nfs/dbraw/zinc/59/35/06/792593506.db2.gz BOYZGWCJFFDBHZ-RKDXNWHRSA-N 1 0 347.359 -1.103 20 0 EAADRO CN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)S(C)(=O)=O ZINC001112111082 792594263 /nfs/dbraw/zinc/59/42/63/792594263.db2.gz DAANYTMMEGSEOC-RKDXNWHRSA-N 1 0 347.359 -1.151 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112111204 792593362 /nfs/dbraw/zinc/59/33/62/792593362.db2.gz KRADYQSVXFZGSR-RKDXNWHRSA-N 1 0 347.359 -1.103 20 0 EAADRO CS(=O)(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112111447 785897837 /nfs/dbraw/zinc/89/78/37/785897837.db2.gz XHBCJGKZYDNUTO-RKDXNWHRSA-N 1 0 347.359 -1.103 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112137151 792594400 /nfs/dbraw/zinc/59/44/00/792594400.db2.gz VYBJGGQTLCROQL-HTQZYQBOSA-N 1 0 348.347 -1.989 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001112154728 785632352 /nfs/dbraw/zinc/63/23/52/785632352.db2.gz YXKQSTAGXTVZOC-BWZBUEFSSA-N 1 0 337.302 -1.607 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112156002 792593385 /nfs/dbraw/zinc/59/33/85/792593385.db2.gz UQXHSERLDYGWNQ-HTQZYQBOSA-N 1 0 345.343 -1.115 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001112156098 785633525 /nfs/dbraw/zinc/63/35/25/785633525.db2.gz ZDLSXNQQEKQQJY-RKDXNWHRSA-N 1 0 336.314 -1.023 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001112156970 792593974 /nfs/dbraw/zinc/59/39/74/792593974.db2.gz KKKHFYIPVMACRU-IVZWLZJFSA-N 1 0 349.313 -1.292 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001112156971 792593630 /nfs/dbraw/zinc/59/36/30/792593630.db2.gz KKKHFYIPVMACRU-OPRDCNLKSA-N 1 0 349.313 -1.292 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112171678 792594742 /nfs/dbraw/zinc/59/47/42/792594742.db2.gz UKIKZYZZNBJSQI-DJLDLDEBSA-N 1 0 347.359 -1.105 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112171679 792593569 /nfs/dbraw/zinc/59/35/69/792593569.db2.gz UKIKZYZZNBJSQI-IWSPIJDZSA-N 1 0 347.359 -1.105 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112200254 792593412 /nfs/dbraw/zinc/59/34/12/792593412.db2.gz SVSVTHIKLXCFHO-RKDXNWHRSA-N 1 0 347.359 -1.151 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001112208359 792594156 /nfs/dbraw/zinc/59/41/56/792594156.db2.gz QJPZEVYBFHHDLB-DJLDLDEBSA-N 1 0 347.359 -1.105 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001112208365 792594331 /nfs/dbraw/zinc/59/43/31/792594331.db2.gz QJPZEVYBFHHDLB-IWSPIJDZSA-N 1 0 347.359 -1.105 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112208432 792593488 /nfs/dbraw/zinc/59/34/88/792593488.db2.gz RUYCWLXBRKLTNP-HTQZYQBOSA-N 1 0 333.332 -1.493 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112208591 792593521 /nfs/dbraw/zinc/59/35/21/792593521.db2.gz VTPLTWUHYBDBDI-RKDXNWHRSA-N 1 0 347.359 -1.103 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112240351 792595881 /nfs/dbraw/zinc/59/58/81/792595881.db2.gz LNZSADMIZQJBID-NHYWBVRUSA-N 1 0 339.396 -1.464 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112247489 792595685 /nfs/dbraw/zinc/59/56/85/792595685.db2.gz OHBQWZKURDCLGT-ZFWWWQNUSA-N 1 0 338.412 -1.100 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cnnn1)C2 ZINC001112247554 792595474 /nfs/dbraw/zinc/59/54/74/792595474.db2.gz SAFFXLLWFIYZFC-GUTXKFCHSA-N 1 0 338.412 -1.101 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cnnn1)C2 ZINC001112247555 792595318 /nfs/dbraw/zinc/59/53/18/792595318.db2.gz SAFFXLLWFIYZFC-YDHLFZDLSA-N 1 0 338.412 -1.101 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cnnn1)C2 ZINC001112247606 792595395 /nfs/dbraw/zinc/59/53/95/792595395.db2.gz VPLUAUCXMMZWKL-WFASDCNBSA-N 1 0 335.412 -1.020 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112250330 792595998 /nfs/dbraw/zinc/59/59/98/792595998.db2.gz AUDVRTLYTICGLZ-XPTSAGLGSA-N 1 0 340.384 -1.932 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(N)=O)C2 ZINC001112250386 792595381 /nfs/dbraw/zinc/59/53/81/792595381.db2.gz DIAKQLBXHWJQAD-NHYWBVRUSA-N 1 0 325.413 -1.039 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(N)=O)C2 ZINC001112250669 792595602 /nfs/dbraw/zinc/59/56/02/792595602.db2.gz RNPVZAZNEXAENJ-HZMBPMFUSA-N 1 0 336.400 -1.403 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(N)=O)C2 ZINC001112250693 792596162 /nfs/dbraw/zinc/59/61/62/792596162.db2.gz SXEJFYXIHLUQED-FZMZJTMJSA-N 1 0 346.453 -1.082 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(N)=O)C2 ZINC001112251797 785817893 /nfs/dbraw/zinc/81/78/93/785817893.db2.gz WALXFQZQMKFBRY-HUBLWGQQSA-N 1 0 328.413 -1.120 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(N)=O)C2 ZINC001112251798 785817613 /nfs/dbraw/zinc/81/76/13/785817613.db2.gz WALXFQZQMKFBRY-ZOWXZIJZSA-N 1 0 328.413 -1.120 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112251813 792595761 /nfs/dbraw/zinc/59/57/61/792595761.db2.gz XCCAHWIXFATYIL-WFASDCNBSA-N 1 0 328.413 -1.118 20 0 EAADRO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CS(C)(=O)=O)C2 ZINC001112275976 792595189 /nfs/dbraw/zinc/59/51/89/792595189.db2.gz XOKPVSWPEBTMPS-FZMZJTMJSA-N 1 0 331.438 -1.005 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112287373 792596088 /nfs/dbraw/zinc/59/60/88/792596088.db2.gz GGXGNWBPEOELKL-XPTSAGLGSA-N 1 0 325.369 -1.725 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(N)=O)C2 ZINC001112287540 792595722 /nfs/dbraw/zinc/59/57/22/792595722.db2.gz NHKGLYKZKCHJRF-BONVTDFDSA-N 1 0 339.396 -1.464 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(N)=O)C2 ZINC001112287892 786290039 /nfs/dbraw/zinc/29/00/39/786290039.db2.gz FSZXVULREDKYFF-FZMZJTMJSA-N 1 0 346.453 -1.371 20 0 EAADRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(N)=O)C2)C(=O)NC(N)=O ZINC001112288889 792595234 /nfs/dbraw/zinc/59/52/34/792595234.db2.gz ZQSPQWGUPWCEGS-FTGAXOIBSA-N 1 0 339.396 -1.337 20 0 EAADRO C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC(N)=O)C2)C(=O)NC(N)=O ZINC001112288890 792595304 /nfs/dbraw/zinc/59/53/04/792595304.db2.gz ZQSPQWGUPWCEGS-YHAQOWFVSA-N 1 0 339.396 -1.337 20 0 EAADRO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CN=NC1=O)C2 ZINC001112311602 792595638 /nfs/dbraw/zinc/59/56/38/792595638.db2.gz XBOINPOFYAHECT-NHYWBVRUSA-N 1 0 336.396 -1.052 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112324277 792595201 /nfs/dbraw/zinc/59/52/01/792595201.db2.gz BSQIETBOUWZNTP-BONVTDFDSA-N 1 0 339.396 -1.464 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112335215 792595935 /nfs/dbraw/zinc/59/59/35/792595935.db2.gz ZSQQVPZWRNCEOX-BONVTDFDSA-N 1 0 349.395 -1.158 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001112339223 792595356 /nfs/dbraw/zinc/59/53/56/792595356.db2.gz SHNKNVUNKQWVEN-BONVTDFDSA-N 1 0 349.395 -1.158 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001112339330 792595737 /nfs/dbraw/zinc/59/57/37/792595737.db2.gz YXKADJGKFRGDOT-BONVTDFDSA-N 1 0 349.395 -1.158 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112353417 792595286 /nfs/dbraw/zinc/59/52/86/792595286.db2.gz GVLLEMZCDRGFFJ-FZMZJTMJSA-N 1 0 346.453 -1.371 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112355860 792595951 /nfs/dbraw/zinc/59/59/51/792595951.db2.gz UZVVWIFUHOHNAY-ZFWWWQNUSA-N 1 0 338.412 -1.100 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 ZINC001112355918 792596118 /nfs/dbraw/zinc/59/61/18/792596118.db2.gz YHBWUPIFDLRPNO-WFASDCNBSA-N 1 0 335.412 -1.020 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 ZINC001112355938 792595228 /nfs/dbraw/zinc/59/52/28/792595228.db2.gz ZFXLXCWNXMAFET-GUTXKFCHSA-N 1 0 338.412 -1.101 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 ZINC001112355939 792597165 /nfs/dbraw/zinc/59/71/65/792597165.db2.gz ZFXLXCWNXMAFET-YDHLFZDLSA-N 1 0 338.412 -1.101 20 0 EAADRO NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001112359965 792597218 /nfs/dbraw/zinc/59/72/18/792597218.db2.gz WILKKLSBGYUXRY-BONVTDFDSA-N 1 0 349.395 -1.919 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCO)C2)n1 ZINC001112360850 792597054 /nfs/dbraw/zinc/59/70/54/792597054.db2.gz OHCCQKYNVFKRRC-NHYWBVRUSA-N 1 0 336.396 -1.412 20 0 EAADRO NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001112366572 792596962 /nfs/dbraw/zinc/59/69/62/792596962.db2.gz AMPLXFPASHGFDM-FZMZJTMJSA-N 1 0 329.422 -1.265 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112366971 792596648 /nfs/dbraw/zinc/59/66/48/792596648.db2.gz SPANKTFDQYNNJQ-MKBNYLNASA-N 1 0 340.424 -1.159 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112366972 792597148 /nfs/dbraw/zinc/59/71/48/792597148.db2.gz SPANKTFDQYNNJQ-WQGACYEGSA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001112367103 786018009 /nfs/dbraw/zinc/01/80/09/786018009.db2.gz YIMZCODCJQINAC-WFASDCNBSA-N 1 0 343.449 -1.005 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1nccn1)C2 ZINC001112370769 792597390 /nfs/dbraw/zinc/59/73/90/792597390.db2.gz UUZAXFDMWAXDNG-NHYWBVRUSA-N 1 0 349.395 -1.309 20 0 EAADRO CS(=O)(=O)NCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112380454 792596810 /nfs/dbraw/zinc/59/68/10/792596810.db2.gz IYMGXIFEAMTZKL-FZMZJTMJSA-N 1 0 346.453 -1.371 20 0 EAADRO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)S(C)(=O)=O ZINC001112380463 792597274 /nfs/dbraw/zinc/59/72/74/792597274.db2.gz JDRNYBMCQOJKNI-FZMZJTMJSA-N 1 0 346.453 -1.419 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112380506 786022844 /nfs/dbraw/zinc/02/28/44/786022844.db2.gz KVQIYJBEPZQIHT-FZMZJTMJSA-N 1 0 346.453 -1.371 20 0 EAADRO COCC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112380531 792596690 /nfs/dbraw/zinc/59/66/90/792596690.db2.gz LZOLMKIVSFWBST-LRDDRELGSA-N 1 0 340.424 -1.205 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112382077 792596790 /nfs/dbraw/zinc/59/67/90/792596790.db2.gz DHBBCNDCUWCYLF-LRDDRELGSA-N 1 0 340.424 -1.157 20 0 EAADRO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)NC)C2 ZINC001112382320 792596858 /nfs/dbraw/zinc/59/68/58/792596858.db2.gz RJBPFHUXRFQPQP-NHYWBVRUSA-N 1 0 325.413 -1.120 20 0 EAADRO NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 ZINC001112401609 792596874 /nfs/dbraw/zinc/59/68/74/792596874.db2.gz OCLFLOKGEBBZDC-LRDDRELGSA-N 1 0 338.408 -1.451 20 0 EAADRO NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001112404076 792596889 /nfs/dbraw/zinc/59/68/89/792596889.db2.gz FRWPGFYDFQEHQZ-YHAQOWFVSA-N 1 0 337.380 -1.712 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112437100 792596912 /nfs/dbraw/zinc/59/69/12/792596912.db2.gz XQEOMPAXWGJLKY-BBRMVZONSA-N 1 0 340.424 -1.551 20 0 EAADRO CN1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCO)C2)CC1=O ZINC001112439796 792596719 /nfs/dbraw/zinc/59/67/19/792596719.db2.gz IKIABAASEVKOGH-YOEHRIQHSA-N 1 0 338.452 -1.029 20 0 EAADRO Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)c1=O ZINC001112440129 792597064 /nfs/dbraw/zinc/59/70/64/792597064.db2.gz PCNUXIMQWIYGPG-NHYWBVRUSA-N 1 0 336.396 -1.715 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cn[nH]n1)C2 ZINC001112445080 792597120 /nfs/dbraw/zinc/59/71/20/792597120.db2.gz HGKPCIQDHIMSFU-XPTSAGLGSA-N 1 0 335.368 -1.169 20 0 EAADRO NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001112450193 792596795 /nfs/dbraw/zinc/59/67/95/792596795.db2.gz JCSBJGKJFHRPOG-ZBEGNZNMSA-N 1 0 349.391 -1.348 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493855 785128264 /nfs/dbraw/zinc/12/82/64/785128264.db2.gz HRMIFJGWCDELGJ-AAEUAGOBSA-N 1 0 334.442 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O=C(C[NH+]1CCCC1)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112727352 786666565 /nfs/dbraw/zinc/66/65/65/786666565.db2.gz ASMKCXMGKKVOQA-NEPJUHHUSA-N 1 0 346.395 -1.472 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112727353 786666515 /nfs/dbraw/zinc/66/65/15/786666515.db2.gz ASMKCXMGKKVOQA-NWDGAFQWSA-N 1 0 346.395 -1.472 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112727354 786667245 /nfs/dbraw/zinc/66/72/45/786667245.db2.gz ASMKCXMGKKVOQA-RYUDHWBXSA-N 1 0 346.395 -1.472 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112727355 786667024 /nfs/dbraw/zinc/66/70/24/786667024.db2.gz ASMKCXMGKKVOQA-VXGBXAGGSA-N 1 0 346.395 -1.472 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112728104 786667127 /nfs/dbraw/zinc/66/71/27/786667127.db2.gz HVMWKLBBJNDKHZ-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112728105 786667041 /nfs/dbraw/zinc/66/70/41/786667041.db2.gz HVMWKLBBJNDKHZ-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112728106 786667258 /nfs/dbraw/zinc/66/72/58/786667258.db2.gz HVMWKLBBJNDKHZ-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112728107 786666885 /nfs/dbraw/zinc/66/68/85/786666885.db2.gz HVMWKLBBJNDKHZ-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112728945 786667900 /nfs/dbraw/zinc/66/79/00/786667900.db2.gz RYQOLKMSSWLXHV-NEPJUHHUSA-N 1 0 346.395 -1.472 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112728946 786667870 /nfs/dbraw/zinc/66/78/70/786667870.db2.gz RYQOLKMSSWLXHV-NWDGAFQWSA-N 1 0 346.395 -1.472 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112728947 786668191 /nfs/dbraw/zinc/66/81/91/786668191.db2.gz RYQOLKMSSWLXHV-RYUDHWBXSA-N 1 0 346.395 -1.472 20 0 EAADRO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112728948 786667797 /nfs/dbraw/zinc/66/77/97/786667797.db2.gz RYQOLKMSSWLXHV-VXGBXAGGSA-N 1 0 346.395 -1.472 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112729345 786668409 /nfs/dbraw/zinc/66/84/09/786668409.db2.gz YXRSPUKWEVIQPO-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112729346 786668115 /nfs/dbraw/zinc/66/81/15/786668115.db2.gz YXRSPUKWEVIQPO-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112729347 786667672 /nfs/dbraw/zinc/66/76/72/786667672.db2.gz YXRSPUKWEVIQPO-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112729348 786668349 /nfs/dbraw/zinc/66/83/49/786668349.db2.gz YXRSPUKWEVIQPO-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112731020 786669136 /nfs/dbraw/zinc/66/91/36/786669136.db2.gz IYIUWLBZWIHNNV-NEPJUHHUSA-N 1 0 348.411 -1.227 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112731021 786669066 /nfs/dbraw/zinc/66/90/66/786669066.db2.gz IYIUWLBZWIHNNV-NWDGAFQWSA-N 1 0 348.411 -1.227 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112731022 786669733 /nfs/dbraw/zinc/66/97/33/786669733.db2.gz IYIUWLBZWIHNNV-RYUDHWBXSA-N 1 0 348.411 -1.227 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112731023 786669006 /nfs/dbraw/zinc/66/90/06/786669006.db2.gz IYIUWLBZWIHNNV-VXGBXAGGSA-N 1 0 348.411 -1.227 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112731324 786669097 /nfs/dbraw/zinc/66/90/97/786669097.db2.gz NDUCPCLYBPGQDF-NEPJUHHUSA-N 1 0 348.411 -1.227 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112731325 786669543 /nfs/dbraw/zinc/66/95/43/786669543.db2.gz NDUCPCLYBPGQDF-NWDGAFQWSA-N 1 0 348.411 -1.227 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112731326 786668934 /nfs/dbraw/zinc/66/89/34/786668934.db2.gz NDUCPCLYBPGQDF-RYUDHWBXSA-N 1 0 348.411 -1.227 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112731327 786669340 /nfs/dbraw/zinc/66/93/40/786669340.db2.gz NDUCPCLYBPGQDF-VXGBXAGGSA-N 1 0 348.411 -1.227 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112733817 786664819 /nfs/dbraw/zinc/66/48/19/786664819.db2.gz OVLYUXKGRGRUJC-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112733818 786664066 /nfs/dbraw/zinc/66/40/66/786664066.db2.gz OVLYUXKGRGRUJC-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112733819 786664322 /nfs/dbraw/zinc/66/43/22/786664322.db2.gz OVLYUXKGRGRUJC-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112733820 786664546 /nfs/dbraw/zinc/66/45/46/786664546.db2.gz OVLYUXKGRGRUJC-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112733841 786664481 /nfs/dbraw/zinc/66/44/81/786664481.db2.gz PGPYGGYZXYHMLG-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112733842 786664016 /nfs/dbraw/zinc/66/40/16/786664016.db2.gz PGPYGGYZXYHMLG-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112733843 786663908 /nfs/dbraw/zinc/66/39/08/786663908.db2.gz PGPYGGYZXYHMLG-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112733844 786664384 /nfs/dbraw/zinc/66/43/84/786664384.db2.gz PGPYGGYZXYHMLG-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112737284 786671957 /nfs/dbraw/zinc/67/19/57/786671957.db2.gz AAWXFHBHFMLCOW-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112737285 786671747 /nfs/dbraw/zinc/67/17/47/786671747.db2.gz AAWXFHBHFMLCOW-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112737286 786671451 /nfs/dbraw/zinc/67/14/51/786671451.db2.gz AAWXFHBHFMLCOW-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112737287 786671878 /nfs/dbraw/zinc/67/18/78/786671878.db2.gz AAWXFHBHFMLCOW-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112738072 786673539 /nfs/dbraw/zinc/67/35/39/786673539.db2.gz MIDITJCJVNVROG-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112738073 786672833 /nfs/dbraw/zinc/67/28/33/786672833.db2.gz MIDITJCJVNVROG-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112738074 786672680 /nfs/dbraw/zinc/67/26/80/786672680.db2.gz MIDITJCJVNVROG-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112738075 786673197 /nfs/dbraw/zinc/67/31/97/786673197.db2.gz MIDITJCJVNVROG-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112751489 786675934 /nfs/dbraw/zinc/67/59/34/786675934.db2.gz PRYXJTABPVHXEC-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112751490 786675737 /nfs/dbraw/zinc/67/57/37/786675737.db2.gz PRYXJTABPVHXEC-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112751491 786675269 /nfs/dbraw/zinc/67/52/69/786675269.db2.gz PRYXJTABPVHXEC-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112751492 786675154 /nfs/dbraw/zinc/67/51/54/786675154.db2.gz PRYXJTABPVHXEC-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112751933 786676003 /nfs/dbraw/zinc/67/60/03/786676003.db2.gz WPBQFIBEVTVBQT-NEPJUHHUSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112751934 786676062 /nfs/dbraw/zinc/67/60/62/786676062.db2.gz WPBQFIBEVTVBQT-NWDGAFQWSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112751935 786676038 /nfs/dbraw/zinc/67/60/38/786676038.db2.gz WPBQFIBEVTVBQT-RYUDHWBXSA-N 1 0 348.411 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112751936 786675123 /nfs/dbraw/zinc/67/51/23/786675123.db2.gz WPBQFIBEVTVBQT-VXGBXAGGSA-N 1 0 348.411 -1.226 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001112755037 786677281 /nfs/dbraw/zinc/67/72/81/786677281.db2.gz KPZCWNIMGGDMSU-GHMZBOCLSA-N 1 0 348.411 -1.377 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001112755038 786677573 /nfs/dbraw/zinc/67/75/73/786677573.db2.gz KPZCWNIMGGDMSU-MNOVXSKESA-N 1 0 348.411 -1.377 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001112755039 786676749 /nfs/dbraw/zinc/67/67/49/786676749.db2.gz KPZCWNIMGGDMSU-QWRGUYRKSA-N 1 0 348.411 -1.377 20 0 EAADRO Cn1nnc2c1ncnc2N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001112755040 786677364 /nfs/dbraw/zinc/67/73/64/786677364.db2.gz KPZCWNIMGGDMSU-WDEREUQCSA-N 1 0 348.411 -1.377 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112755817 786677009 /nfs/dbraw/zinc/67/70/09/786677009.db2.gz RECGKUAIGUXDJM-GHMZBOCLSA-N 1 0 334.384 -1.616 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112755818 786676566 /nfs/dbraw/zinc/67/65/66/786676566.db2.gz RECGKUAIGUXDJM-MNOVXSKESA-N 1 0 334.384 -1.616 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O ZINC001112755819 786677591 /nfs/dbraw/zinc/67/75/91/786677591.db2.gz RECGKUAIGUXDJM-QWRGUYRKSA-N 1 0 334.384 -1.616 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O ZINC001112755820 786676948 /nfs/dbraw/zinc/67/69/48/786676948.db2.gz RECGKUAIGUXDJM-WDEREUQCSA-N 1 0 334.384 -1.616 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112756377 786677244 /nfs/dbraw/zinc/67/72/44/786677244.db2.gz WQPSOFHIFWZPIR-GHMZBOCLSA-N 1 0 334.384 -1.616 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112756378 786676575 /nfs/dbraw/zinc/67/65/75/786676575.db2.gz WQPSOFHIFWZPIR-MNOVXSKESA-N 1 0 334.384 -1.616 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O ZINC001112756379 786676682 /nfs/dbraw/zinc/67/66/82/786676682.db2.gz WQPSOFHIFWZPIR-QWRGUYRKSA-N 1 0 334.384 -1.616 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O ZINC001112756380 786677016 /nfs/dbraw/zinc/67/70/16/786677016.db2.gz WQPSOFHIFWZPIR-WDEREUQCSA-N 1 0 334.384 -1.616 20 0 EAADRO CC(=O)NCCOCCN1CCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC001112830974 786690071 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CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114273264 786833003 /nfs/dbraw/zinc/83/30/03/786833003.db2.gz JXXNLHNYXKALGM-SRRSOLGSSA-N 1 0 344.437 -1.797 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114273265 786833625 /nfs/dbraw/zinc/83/36/25/786833625.db2.gz JXXNLHNYXKALGM-XZUYRWCXSA-N 1 0 344.437 -1.797 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114273340 786833173 /nfs/dbraw/zinc/83/31/73/786833173.db2.gz LGPUDQAUBFNNSC-PJXYFTJBSA-N 1 0 335.426 -2.019 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114273354 786833513 /nfs/dbraw/zinc/83/35/13/786833513.db2.gz LRCQMIIORKSUJJ-KLBPJQLPSA-N 1 0 330.410 -2.139 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114273355 786834000 /nfs/dbraw/zinc/83/40/00/786834000.db2.gz LRCQMIIORKSUJJ-MIZYBKAJSA-N 1 0 330.410 -2.139 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114273382 786834038 /nfs/dbraw/zinc/83/40/38/786834038.db2.gz LUYUYFYDBFDMPE-SRRSOLGSSA-N 1 0 344.437 -1.749 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114273383 786833032 /nfs/dbraw/zinc/83/30/32/786833032.db2.gz LUYUYFYDBFDMPE-XZUYRWCXSA-N 1 0 344.437 -1.749 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114273418 786833817 /nfs/dbraw/zinc/83/38/17/786833817.db2.gz MHRPBRCAKRTZBG-KLBPJQLPSA-N 1 0 332.426 -1.764 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114273420 786833647 /nfs/dbraw/zinc/83/36/47/786833647.db2.gz MHRPBRCAKRTZBG-MIZYBKAJSA-N 1 0 332.426 -1.764 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114273554 786833411 /nfs/dbraw/zinc/83/34/11/786833411.db2.gz OKUQFKFOINMAEX-SVDPJWKOSA-N 1 0 332.426 -1.893 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114273555 786833935 /nfs/dbraw/zinc/83/39/35/786833935.db2.gz OKUQFKFOINMAEX-UXCLJVHYSA-N 1 0 332.426 -1.893 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001114273648 786833384 /nfs/dbraw/zinc/83/33/84/786833384.db2.gz QMIDPKCDJUEDNT-PJXYFTJBSA-N 1 0 342.425 -1.736 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001114273701 786833445 /nfs/dbraw/zinc/83/34/45/786833445.db2.gz RNGKSMHTKVIYGG-IMRBUKKESA-N 1 0 341.437 -1.131 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCOC)C[C@H]21 ZINC001114273827 786833286 /nfs/dbraw/zinc/83/32/86/786833286.db2.gz VLBMYJFKPSWYBT-IMRBUKKESA-N 1 0 349.453 -1.365 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114273922 786833151 /nfs/dbraw/zinc/83/31/51/786833151.db2.gz XMILGBYYESLMST-DCQANWLSSA-N 1 0 334.442 -1.848 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114273924 786833318 /nfs/dbraw/zinc/83/33/18/786833318.db2.gz XMILGBYYESLMST-MEWQQHAOSA-N 1 0 334.442 -1.848 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114275292 786833532 /nfs/dbraw/zinc/83/35/32/786833532.db2.gz BWLNYBBOAMKAQA-PJXYFTJBSA-N 1 0 334.442 -1.847 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114275724 786833914 /nfs/dbraw/zinc/83/39/14/786833914.db2.gz LRBBDWNRWVGTBI-CIQGVGRVSA-N 1 0 348.469 -1.194 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114275725 786833679 /nfs/dbraw/zinc/83/36/79/786833679.db2.gz LRBBDWNRWVGTBI-NMKXLXIOSA-N 1 0 348.469 -1.194 20 0 EAADRO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114276289 786833129 /nfs/dbraw/zinc/83/31/29/786833129.db2.gz XGKSMUANVOZLEK-IMRBUKKESA-N 1 0 348.469 -1.193 20 0 EAADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)NC(N)=O ZINC001114277390 786836671 /nfs/dbraw/zinc/83/66/71/786836671.db2.gz AWIJAUAGWMVZSO-DCQANWLSSA-N 1 0 338.412 -1.495 20 0 EAADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)NC(N)=O ZINC001114277392 786836735 /nfs/dbraw/zinc/83/67/35/786836735.db2.gz AWIJAUAGWMVZSO-MEWQQHAOSA-N 1 0 338.412 -1.495 20 0 EAADRO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)NC(N)=O ZINC001114278977 786834149 /nfs/dbraw/zinc/83/41/49/786834149.db2.gz ZJTXWNVIGFLLKO-KZWBYHQPSA-N 1 0 325.413 -1.042 20 0 EAADRO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(N)=O ZINC001114278978 786834538 /nfs/dbraw/zinc/83/45/38/786834538.db2.gz ZJTXWNVIGFLLKO-PUHVVEEASA-N 1 0 325.413 -1.042 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114280273 786834240 /nfs/dbraw/zinc/83/42/40/786834240.db2.gz GGADZFHJMHILAC-CXTNEJHOSA-N 1 0 338.408 -1.137 20 0 EAADRO O=C(CO[C@H]1CCOC1)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114280275 786834914 /nfs/dbraw/zinc/83/49/14/786834914.db2.gz GGADZFHJMHILAC-RMRHIDDWSA-N 1 0 338.408 -1.137 20 0 EAADRO CCN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1)C1CC1 ZINC001114286946 786836568 /nfs/dbraw/zinc/83/65/68/786836568.db2.gz BEERJTJVOGORCQ-JYAVWHMHSA-N 1 0 333.396 -1.270 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001114286985 786835724 /nfs/dbraw/zinc/83/57/24/786835724.db2.gz BRJCVSGCNZOVNP-CXTNEJHOSA-N 1 0 336.396 -1.085 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001114286987 786835961 /nfs/dbraw/zinc/83/59/61/786835961.db2.gz BRJCVSGCNZOVNP-RMRHIDDWSA-N 1 0 336.396 -1.085 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287165 786836476 /nfs/dbraw/zinc/83/64/76/786836476.db2.gz GFLLVWFWKZELJB-CIQGVGRVSA-N 1 0 340.384 -2.257 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287167 786836074 /nfs/dbraw/zinc/83/60/74/786836074.db2.gz GFLLVWFWKZELJB-NMKXLXIOSA-N 1 0 340.384 -2.257 20 0 EAADRO CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287357 786836278 /nfs/dbraw/zinc/83/62/78/786836278.db2.gz JSWHJISHIRKGJL-CXTNEJHOSA-N 1 0 338.412 -1.247 20 0 EAADRO CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287359 786836052 /nfs/dbraw/zinc/83/60/52/786836052.db2.gz JSWHJISHIRKGJL-RMRHIDDWSA-N 1 0 338.412 -1.247 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287714 786835595 /nfs/dbraw/zinc/83/55/95/786835595.db2.gz QGCNNCNHSILECJ-IMRBUKKESA-N 1 0 337.384 -2.128 20 0 EAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287718 786835873 /nfs/dbraw/zinc/83/58/73/786835873.db2.gz QGLDUVUPUHGENB-PJXYFTJBSA-N 1 0 336.400 -1.573 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287887 786836638 /nfs/dbraw/zinc/83/66/38/786836638.db2.gz RFQHWGKRLREFAZ-CIQGVGRVSA-N 1 0 335.412 -1.025 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287889 786836297 /nfs/dbraw/zinc/83/62/97/786836297.db2.gz RFQHWGKRLREFAZ-NMKXLXIOSA-N 1 0 335.412 -1.025 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001114288096 786838118 /nfs/dbraw/zinc/83/81/18/786838118.db2.gz TZGZAXPSRXEBED-CXTNEJHOSA-N 1 0 336.396 -1.085 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001114288098 786837191 /nfs/dbraw/zinc/83/71/91/786837191.db2.gz TZGZAXPSRXEBED-RMRHIDDWSA-N 1 0 336.396 -1.085 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288474 786838273 /nfs/dbraw/zinc/83/82/73/786838273.db2.gz XOBLESGGOJOFHQ-CIQGVGRVSA-N 1 0 335.412 -1.024 20 0 EAADRO 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Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNS(C)(=O)=O)cn1 ZINC001114361555 791424298 /nfs/dbraw/zinc/42/42/98/791424298.db2.gz OSPCSCKJBPFCOT-IMRBUKKESA-N 1 0 341.437 -1.094 20 0 EAADRO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNS(C)(=O)=O)C1=O ZINC001114361570 791424266 /nfs/dbraw/zinc/42/42/66/791424266.db2.gz PBWKQBIRSAXQKE-SRRSOLGSSA-N 1 0 344.437 -1.797 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNS(C)(=O)=O)C1=O ZINC001114361571 791423932 /nfs/dbraw/zinc/42/39/32/791423932.db2.gz PBWKQBIRSAXQKE-XZUYRWCXSA-N 1 0 344.437 -1.797 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361606 791424257 /nfs/dbraw/zinc/42/42/57/791424257.db2.gz PYYDDJQLXYNPIF-DCQANWLSSA-N 1 0 335.426 -2.021 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361609 791424006 /nfs/dbraw/zinc/42/40/06/791424006.db2.gz PYYDDJQLXYNPIF-MEWQQHAOSA-N 1 0 335.426 -2.021 20 0 EAADRO CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001114361722 791424178 /nfs/dbraw/zinc/42/41/78/791424178.db2.gz SIGKMZRDIRSLTC-IMRBUKKESA-N 1 0 341.437 -1.131 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361749 791424438 /nfs/dbraw/zinc/42/44/38/791424438.db2.gz SVLLSSYVGMBPNB-KLBPJQLPSA-N 1 0 332.426 -1.764 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361751 791424066 /nfs/dbraw/zinc/42/40/66/791424066.db2.gz SVLLSSYVGMBPNB-MIZYBKAJSA-N 1 0 332.426 -1.764 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361832 791424036 /nfs/dbraw/zinc/42/40/36/791424036.db2.gz USPLGNNOSMFZSU-SVDPJWKOSA-N 1 0 332.426 -1.893 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361833 791424203 /nfs/dbraw/zinc/42/42/03/791424203.db2.gz USPLGNNOSMFZSU-UXCLJVHYSA-N 1 0 332.426 -1.893 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361938 791424343 /nfs/dbraw/zinc/42/43/43/791424343.db2.gz WPSAZJFCHZMVEH-IWIIMEHWSA-N 1 0 332.426 -1.940 20 0 EAADRO CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001114362004 791424282 /nfs/dbraw/zinc/42/42/82/791424282.db2.gz XRACAJWVPJKMBX-PJXYFTJBSA-N 1 0 342.425 -1.736 20 0 EAADRO Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114362091 791424454 /nfs/dbraw/zinc/42/44/54/791424454.db2.gz ZQVSIUDFDWNTQI-IMRBUKKESA-N 1 0 341.437 -1.094 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001114363249 791424417 /nfs/dbraw/zinc/42/44/17/791424417.db2.gz ADYTXAMBSYIYDC-IMRBUKKESA-N 1 0 341.437 -1.131 20 0 EAADRO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001114363256 791424892 /nfs/dbraw/zinc/42/48/92/791424892.db2.gz AFNSDWFLSOZATO-KLBPJQLPSA-N 1 0 330.410 -2.187 20 0 EAADRO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001114363257 791425098 /nfs/dbraw/zinc/42/50/98/791425098.db2.gz AFNSDWFLSOZATO-MIZYBKAJSA-N 1 0 330.410 -2.187 20 0 EAADRO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)S(C)(=O)=O ZINC001114363294 791424910 /nfs/dbraw/zinc/42/49/10/791424910.db2.gz BAPIRPHCTOEWTE-IMRBUKKESA-N 1 0 341.437 -1.179 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363297 791425354 /nfs/dbraw/zinc/42/53/54/791425354.db2.gz BARJWPAMLNHUNU-DCQANWLSSA-N 1 0 346.453 -1.599 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363299 791425381 /nfs/dbraw/zinc/42/53/81/791425381.db2.gz BARJWPAMLNHUNU-MEWQQHAOSA-N 1 0 346.453 -1.599 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001114363315 791425179 /nfs/dbraw/zinc/42/51/79/791425179.db2.gz BMXKTCPHLBYBPE-PJXYFTJBSA-N 1 0 342.425 -1.736 20 0 EAADRO 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CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363780 791425884 /nfs/dbraw/zinc/42/58/84/791425884.db2.gz KGSZSHPVKFUKEC-YABSGUDNSA-N 1 0 346.453 -1.598 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363814 791425678 /nfs/dbraw/zinc/42/56/78/791425678.db2.gz KWKRZVIXKRWMBK-IWIIMEHWSA-N 1 0 332.426 -1.988 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)CC ZINC001114363820 791426135 /nfs/dbraw/zinc/42/61/35/791426135.db2.gz LARFSQWSOZBZDY-KLBPJQLPSA-N 1 0 332.426 -1.764 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)CC ZINC001114363822 791425777 /nfs/dbraw/zinc/42/57/77/791425777.db2.gz LARFSQWSOZBZDY-MIZYBKAJSA-N 1 0 332.426 -1.764 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363853 791425742 /nfs/dbraw/zinc/42/57/42/791425742.db2.gz LLODYHPOQZGACR-DCQANWLSSA-N 1 0 335.426 -2.069 20 0 EAADRO 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CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)S(N)(=O)=O ZINC001114621009 791670198 /nfs/dbraw/zinc/67/01/98/791670198.db2.gz AUAUPHMYFCELAQ-QNWHQSFQSA-N 1 0 349.453 -1.501 20 0 EAADRO CCC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)S(N)(=O)=O ZINC001114621011 791670752 /nfs/dbraw/zinc/67/07/52/791670752.db2.gz AUAUPHMYFCELAQ-XQHKEYJVSA-N 1 0 349.453 -1.501 20 0 EAADRO CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)S(N)(=O)=O ZINC001114622103 791670415 /nfs/dbraw/zinc/67/04/15/791670415.db2.gz XKIJVXYKIPIEAH-SRRSOLGSSA-N 1 0 346.453 -1.422 20 0 EAADRO CCC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)S(N)(=O)=O ZINC001114622104 791670625 /nfs/dbraw/zinc/67/06/25/791670625.db2.gz XKIJVXYKIPIEAH-XZUYRWCXSA-N 1 0 346.453 -1.422 20 0 EAADRO O=C(COCC(F)F)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114622129 791670218 /nfs/dbraw/zinc/67/02/18/791670218.db2.gz XWWWKKOCDDFTGV-WOFXILAISA-N 1 0 346.334 -1.134 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001114623565 791670064 /nfs/dbraw/zinc/67/00/64/791670064.db2.gz AMPGVIQRFYZRKW-SVDPJWKOSA-N 1 0 347.441 -2.437 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001114623566 791670598 /nfs/dbraw/zinc/67/05/98/791670598.db2.gz AMPGVIQRFYZRKW-UXCLJVHYSA-N 1 0 347.441 -2.437 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114623634 791670512 /nfs/dbraw/zinc/67/05/12/791670512.db2.gz BZOHRDCWIQWTPA-KLBPJQLPSA-N 1 0 345.425 -2.635 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114623635 791670613 /nfs/dbraw/zinc/67/06/13/791670613.db2.gz BZOHRDCWIQWTPA-MIZYBKAJSA-N 1 0 345.425 -2.635 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCOC)C[C@H]21 ZINC001114623637 791670377 /nfs/dbraw/zinc/67/03/77/791670377.db2.gz CBFWFRGBANMDEE-IMRBUKKESA-N 1 0 348.469 -1.097 20 0 EAADRO CCCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114623643 791670469 /nfs/dbraw/zinc/67/04/69/791670469.db2.gz CDHAGQOKEUVXDE-IMRBUKKESA-N 1 0 348.469 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOC(C)C)C[C@H]21 ZINC001114623755 791670525 /nfs/dbraw/zinc/67/05/25/791670525.db2.gz DWXKUIKGWXWYKX-PJXYFTJBSA-N 1 0 334.442 -1.488 20 0 EAADRO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114623819 791670790 /nfs/dbraw/zinc/67/07/90/791670790.db2.gz GDLAOLQEWAXRKJ-PJXYFTJBSA-N 1 0 334.442 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114623936 791671584 /nfs/dbraw/zinc/67/15/84/791671584.db2.gz IJRDGUPOMJOLAR-LOKLDPHHSA-N 1 0 331.398 -3.025 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114623937 791671799 /nfs/dbraw/zinc/67/17/99/791671799.db2.gz IJRDGUPOMJOLAR-QCBRBAQYSA-N 1 0 331.398 -3.025 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114623953 791671838 /nfs/dbraw/zinc/67/18/38/791671838.db2.gz ISNCRYDCCQSRDP-REIXXSIJSA-N 1 0 333.414 -2.779 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114623954 791671893 /nfs/dbraw/zinc/67/18/93/791671893.db2.gz ISNCRYDCCQSRDP-WYOJIJJFSA-N 1 0 333.414 -2.779 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114623965 791671358 /nfs/dbraw/zinc/67/13/58/791671358.db2.gz ITIFFYNOVZZYFA-SVDPJWKOSA-N 1 0 336.414 -2.906 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001114623967 791671548 /nfs/dbraw/zinc/67/15/48/791671548.db2.gz ITIFFYNOVZZYFA-UXCLJVHYSA-N 1 0 336.414 -2.906 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCOC(C)C)C[C@H]21 ZINC001114623978 791671213 /nfs/dbraw/zinc/67/12/13/791671213.db2.gz IYYRJXIHSCEWHG-IMRBUKKESA-N 1 0 348.469 -1.098 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001114623992 791671603 /nfs/dbraw/zinc/67/16/03/791671603.db2.gz JEYYCPCXNYLBJO-PJXYFTJBSA-N 1 0 342.425 -1.980 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001114624003 791671858 /nfs/dbraw/zinc/67/18/58/791671858.db2.gz JRHOVOSGFQVTBN-CIQGVGRVSA-N 1 0 346.453 -1.344 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001114624005 791671477 /nfs/dbraw/zinc/67/14/77/791671477.db2.gz JRHOVOSGFQVTBN-NMKXLXIOSA-N 1 0 346.453 -1.344 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001114624008 791671818 /nfs/dbraw/zinc/67/18/18/791671818.db2.gz JTSJVZHLDLCPKA-PJXYFTJBSA-N 1 0 342.425 -2.017 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114624050 791671759 /nfs/dbraw/zinc/67/17/59/791671759.db2.gz KTAZZUSVQXDKSE-GDGBQDQQSA-N 1 0 333.414 -2.825 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCOC)C[C@H]21 ZINC001114624057 791671718 /nfs/dbraw/zinc/67/17/18/791671718.db2.gz KTRHITYIIOUWAW-PJXYFTJBSA-N 1 0 334.442 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001114624094 791671398 /nfs/dbraw/zinc/67/13/98/791671398.db2.gz LGVGRCBIDCHPQY-IMRBUKKESA-N 1 0 346.453 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC(C)C)C[C@H]21 ZINC001114624144 791671871 /nfs/dbraw/zinc/67/18/71/791671871.db2.gz LYZMKTFECHVSTJ-IMRBUKKESA-N 1 0 348.469 -1.241 20 0 EAADRO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624167 791671701 /nfs/dbraw/zinc/67/17/01/791671701.db2.gz MLODGCXRIODIEJ-IWIIMEHWSA-N 1 0 347.441 -2.435 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001114624173 791671195 /nfs/dbraw/zinc/67/11/95/791671195.db2.gz MOBXGGVPRGIMST-DCQANWLSSA-N 1 0 332.426 -1.877 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001114624176 791671288 /nfs/dbraw/zinc/67/12/88/791671288.db2.gz MOBXGGVPRGIMST-MEWQQHAOSA-N 1 0 332.426 -1.877 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001114624191 791671739 /nfs/dbraw/zinc/67/17/39/791671739.db2.gz MWOXKPVCNUNTFV-CIQGVGRVSA-N 1 0 346.453 -1.344 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001114624193 791671563 /nfs/dbraw/zinc/67/15/63/791671563.db2.gz MWOXKPVCNUNTFV-NMKXLXIOSA-N 1 0 346.453 -1.344 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cncn3C)C[C@H]21 ZINC001114624229 791671519 /nfs/dbraw/zinc/67/15/19/791671519.db2.gz NPIQDCYERGDEKN-PJXYFTJBSA-N 1 0 342.425 -1.980 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2CN(Cc3cnnn3C)C[C@H]21 ZINC001114624252 791672735 /nfs/dbraw/zinc/67/27/35/791672735.db2.gz ODBOHBAALCKUKD-IAZYJMLFSA-N 1 0 343.413 -2.585 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]21 ZINC001114624270 791672668 /nfs/dbraw/zinc/67/26/68/791672668.db2.gz OKSWVTNXRUKKEP-PJXYFTJBSA-N 1 0 343.409 -1.417 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ocnc3C)C[C@H]21 ZINC001114624286 791672543 /nfs/dbraw/zinc/67/25/43/791672543.db2.gz OXZYALOWUILBIX-IWIIMEHWSA-N 1 0 343.409 -1.417 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114624289 791672507 /nfs/dbraw/zinc/67/25/07/791672507.db2.gz OYVINVAAVUPJFQ-IAZYJMLFSA-N 1 0 336.414 -2.905 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624297 791672723 /nfs/dbraw/zinc/67/27/23/791672723.db2.gz PBVBBPBTPBOHEA-LOKLDPHHSA-N 1 0 333.414 -2.650 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624298 791672457 /nfs/dbraw/zinc/67/24/57/791672457.db2.gz PBVBBPBTPBOHEA-QCBRBAQYSA-N 1 0 333.414 -2.650 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001114624303 791672406 /nfs/dbraw/zinc/67/24/06/791672406.db2.gz PEHGZSZRJWXPQH-IAZYJMLFSA-N 1 0 343.413 -2.622 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC001114624344 791672607 /nfs/dbraw/zinc/67/26/07/791672607.db2.gz QBVLGPNINVAPGI-IMRBUKKESA-N 1 0 339.421 -1.318 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001114624347 791672334 /nfs/dbraw/zinc/67/23/34/791672334.db2.gz QDACKJBVNZSMBY-IMRBUKKESA-N 1 0 346.453 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001114624479 791672766 /nfs/dbraw/zinc/67/27/66/791672766.db2.gz TVKNZQLZRAWJNE-DCQANWLSSA-N 1 0 334.442 -1.752 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@H](C)O)C[C@H]21 ZINC001114624482 791672779 /nfs/dbraw/zinc/67/27/79/791672779.db2.gz TVKNZQLZRAWJNE-MEWQQHAOSA-N 1 0 334.442 -1.752 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnoc3C)C[C@H]21 ZINC001114624533 791672622 /nfs/dbraw/zinc/67/26/22/791672622.db2.gz UPKLSJHTDFJXLS-PJXYFTJBSA-N 1 0 343.409 -1.417 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC)OC ZINC001114624572 791672748 /nfs/dbraw/zinc/67/27/48/791672748.db2.gz VBIQEZOVICHWFF-DCQANWLSSA-N 1 0 334.442 -1.488 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC)OC ZINC001114624574 791672796 /nfs/dbraw/zinc/67/27/96/791672796.db2.gz VBIQEZOVICHWFF-MEWQQHAOSA-N 1 0 334.442 -1.488 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001114624639 791672374 /nfs/dbraw/zinc/67/23/74/791672374.db2.gz WJNLQKKLOLUWAM-CIQGVGRVSA-N 1 0 346.453 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001114624641 791672351 /nfs/dbraw/zinc/67/23/51/791672351.db2.gz WJNLQKKLOLUWAM-NMKXLXIOSA-N 1 0 346.453 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001114624764 791672499 /nfs/dbraw/zinc/67/24/99/791672499.db2.gz XXPIEECBIKIGLM-CIQGVGRVSA-N 1 0 346.453 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001114624766 791672691 /nfs/dbraw/zinc/67/26/91/791672691.db2.gz XXPIEECBIKIGLM-NMKXLXIOSA-N 1 0 346.453 -1.487 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC001114624831 791673723 /nfs/dbraw/zinc/67/37/23/791673723.db2.gz YYCBFXDZTTWINJ-IMRBUKKESA-N 1 0 339.421 -1.318 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21 ZINC001114624869 791672758 /nfs/dbraw/zinc/67/27/58/791672758.db2.gz ZNPIFIHRJCPIKF-IMRBUKKESA-N 1 0 346.453 -1.344 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114624876 791672441 /nfs/dbraw/zinc/67/24/41/791672441.db2.gz ZOZOSPYHRISXEX-KLBPJQLPSA-N 1 0 345.425 -2.683 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114624877 791672420 /nfs/dbraw/zinc/67/24/20/791672420.db2.gz 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MLBCRMZCHMVGCQ-LDJVBQEQSA-N 1 0 340.420 -1.051 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114712520 791681569 /nfs/dbraw/zinc/68/15/69/791681569.db2.gz MLBCRMZCHMVGCQ-ORMONKSWSA-N 1 0 340.420 -1.051 20 0 EAADRO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)CCC(=O)NC1 ZINC001114721755 791682945 /nfs/dbraw/zinc/68/29/45/791682945.db2.gz VFPCWMCBBJBYAK-DMEJVMROSA-N 1 0 325.409 -1.042 20 0 EAADRO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)CCC(=O)NC1 ZINC001114721758 791683467 /nfs/dbraw/zinc/68/34/67/791683467.db2.gz VFPCWMCBBJBYAK-TWJWRFFLSA-N 1 0 325.409 -1.042 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001114732616 791684738 /nfs/dbraw/zinc/68/47/38/791684738.db2.gz KHIQOAYRHHYYIH-ZXPJVPCYSA-N 1 0 337.424 -1.042 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001114735081 791684908 /nfs/dbraw/zinc/68/49/08/791684908.db2.gz UEDIUBQMLHTSKG-BCUIYNNISA-N 1 0 349.435 -1.025 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001114735082 791684618 /nfs/dbraw/zinc/68/46/18/791684618.db2.gz UEDIUBQMLHTSKG-FOCJUVANSA-N 1 0 349.435 -1.025 20 0 EAADRO O=C(N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001114738219 791684361 /nfs/dbraw/zinc/68/43/61/791684361.db2.gz DRJFATPFLMPKEZ-YABSGUDNSA-N 1 0 331.376 -1.044 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114738621 791684148 /nfs/dbraw/zinc/68/41/48/791684148.db2.gz IEYBFSLLDYLHPN-JYAVWHMHSA-N 1 0 349.391 -1.417 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC001114738694 791684474 /nfs/dbraw/zinc/68/44/74/791684474.db2.gz JMBBAWWQHCXBNL-APAOZMKASA-N 1 0 337.376 -1.025 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC001114738697 791684725 /nfs/dbraw/zinc/68/47/25/791684725.db2.gz JMBBAWWQHCXBNL-NYMYIZQJSA-N 1 0 337.376 -1.025 20 0 EAADRO NC(=O)Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114739808 791684489 /nfs/dbraw/zinc/68/44/89/791684489.db2.gz VZCZWJJOVZYVII-JYAVWHMHSA-N 1 0 337.376 -1.024 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)cn1 ZINC001114740727 791686244 /nfs/dbraw/zinc/68/62/44/791686244.db2.gz AKDHLRGAGGCOEM-NHAGDIPZSA-N 1 0 348.407 -1.130 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)cn1 ZINC001114740776 791686468 /nfs/dbraw/zinc/68/64/68/791686468.db2.gz BAGKWIUSJFLANI-OZTPJHRESA-N 1 0 347.375 -1.350 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)cn1 ZINC001114740778 791685558 /nfs/dbraw/zinc/68/55/58/791685558.db2.gz BAGKWIUSJFLANI-ZAZJYDDPSA-N 1 0 347.375 -1.350 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001114740939 791686221 /nfs/dbraw/zinc/68/62/21/791686221.db2.gz FTSJJGMTYHCRSA-ITGUQSILSA-N 1 0 344.481 -1.076 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741086 791685316 /nfs/dbraw/zinc/68/53/16/791685316.db2.gz IIVXNTPTNLOIQD-NNYUYHANSA-N 1 0 337.424 -1.042 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741088 791686147 /nfs/dbraw/zinc/68/61/47/791686147.db2.gz IIVXNTPTNLOIQD-WYUUTHIRSA-N 1 0 337.424 -1.042 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745664 791685853 /nfs/dbraw/zinc/68/58/53/791685853.db2.gz DALVPTATSYWDAP-PJXYFTJBSA-N 1 0 337.424 -1.170 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745676 791685806 /nfs/dbraw/zinc/68/58/06/791685806.db2.gz DINJWUVTYINHFJ-DCQANWLSSA-N 1 0 325.413 -1.042 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745678 791685485 /nfs/dbraw/zinc/68/54/85/791685485.db2.gz DINJWUVTYINHFJ-MEWQQHAOSA-N 1 0 325.413 -1.042 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114745974 791685389 /nfs/dbraw/zinc/68/53/89/791685389.db2.gz JKALKXYEMCZYNS-QNWHQSFQSA-N 1 0 339.396 -2.133 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745976 791685959 /nfs/dbraw/zinc/68/59/59/791685959.db2.gz JKALKXYEMCZYNS-XQHKEYJVSA-N 1 0 339.396 -2.133 20 0 EAADRO Cn1[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C[NH+](C)C)CC2)nc1=O ZINC001114746329 791686419 /nfs/dbraw/zinc/68/64/19/791686419.db2.gz QFPFHXONRDIMQU-PJXYFTJBSA-N 1 0 334.424 -1.003 20 0 EAADRO CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)S(C)(=O)=O ZINC001114746546 791686394 /nfs/dbraw/zinc/68/63/94/791686394.db2.gz UQOYLHMHOUNLRS-YTWAJWBKSA-N 1 0 345.425 -2.394 20 0 EAADRO CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)S(C)(=O)=O ZINC001114746547 791685666 /nfs/dbraw/zinc/68/56/66/791685666.db2.gz UQOYLHMHOUNLRS-ZRUFSTJUSA-N 1 0 345.425 -2.394 20 0 EAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114747484 791685989 /nfs/dbraw/zinc/68/59/89/791685989.db2.gz AKPNYHDIAWGFON-KXNHARMFSA-N 1 0 338.412 -1.578 20 0 EAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114747486 791686349 /nfs/dbraw/zinc/68/63/49/791686349.db2.gz AKPNYHDIAWGFON-WHOHXGKFSA-N 1 0 338.412 -1.578 20 0 EAADRO CCN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001114748062 791686495 /nfs/dbraw/zinc/68/64/95/791686495.db2.gz MKDCXQOCJNLDII-CZXHOFHRSA-N 1 0 335.408 -1.275 20 0 EAADRO CCN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001114748064 791686105 /nfs/dbraw/zinc/68/61/05/791686105.db2.gz MKDCXQOCJNLDII-KZVDOYCCSA-N 1 0 335.408 -1.275 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750271 791687053 /nfs/dbraw/zinc/68/70/53/791687053.db2.gz DLXUSZKAQQIUJW-YABSGUDNSA-N 1 0 325.413 -1.170 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21 ZINC001114750884 791687423 /nfs/dbraw/zinc/68/74/23/791687423.db2.gz QBPFQQLKUGFJAK-IMRBUKKESA-N 1 0 332.470 -1.076 20 0 EAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC001114752678 791687514 /nfs/dbraw/zinc/68/75/14/791687514.db2.gz JOORYPAGOACFNG-FTYKPCCVSA-N 1 0 327.381 -1.925 20 0 EAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC001114752680 791687094 /nfs/dbraw/zinc/68/70/94/791687094.db2.gz JOORYPAGOACFNG-XEZLXBQYSA-N 1 0 327.381 -1.925 20 0 EAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001114753180 791687081 /nfs/dbraw/zinc/68/70/81/791687081.db2.gz RUJVSHGYNKYZKC-HXFLIBJXSA-N 1 0 325.287 -1.542 20 0 EAADRO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001114753181 791686881 /nfs/dbraw/zinc/68/68/81/791686881.db2.gz RUJVSHGYNKYZKC-RBXMUDONSA-N 1 0 325.287 -1.542 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114754519 791688795 /nfs/dbraw/zinc/68/87/95/791688795.db2.gz CVXVXJZRWOVWSG-YABSGUDNSA-N 1 0 344.437 -1.666 20 0 EAADRO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCS(N)(=O)=O)C1=O ZINC001114754576 791688459 /nfs/dbraw/zinc/68/84/59/791688459.db2.gz DMMODGNQTRQGGZ-SRRSOLGSSA-N 1 0 344.437 -1.668 20 0 EAADRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCS(N)(=O)=O)C1=O ZINC001114754577 791688735 /nfs/dbraw/zinc/68/87/35/791688735.db2.gz DMMODGNQTRQGGZ-XZUYRWCXSA-N 1 0 344.437 -1.668 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114754681 791688389 /nfs/dbraw/zinc/68/83/89/791688389.db2.gz GAHNTVYYYKORML-KLBPJQLPSA-N 1 0 330.410 -2.010 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114754682 791688360 /nfs/dbraw/zinc/68/83/60/791688360.db2.gz GAHNTVYYYKORML-MIZYBKAJSA-N 1 0 330.410 -2.010 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754722 791688228 /nfs/dbraw/zinc/68/82/28/791688228.db2.gz HAZFCAQCXJWUBU-DCQANWLSSA-N 1 0 346.453 -1.422 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754724 791688377 /nfs/dbraw/zinc/68/83/77/791688377.db2.gz HAZFCAQCXJWUBU-MEWQQHAOSA-N 1 0 346.453 -1.422 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001114754730 791688552 /nfs/dbraw/zinc/68/85/52/791688552.db2.gz HEMUCLMQBZBHHI-PJXYFTJBSA-N 1 0 342.425 -1.607 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114754765 791688264 /nfs/dbraw/zinc/68/82/64/791688264.db2.gz HSVINWIMVITUSY-PJXYFTJBSA-N 1 0 335.426 -1.890 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754784 791688449 /nfs/dbraw/zinc/68/84/49/791688449.db2.gz IEUCCYSNYUVADT-DCQANWLSSA-N 1 0 335.426 -1.891 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754787 791688523 /nfs/dbraw/zinc/68/85/23/791688523.db2.gz IEUCCYSNYUVADT-MEWQQHAOSA-N 1 0 335.426 -1.891 20 0 EAADRO COCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114755410 791689633 /nfs/dbraw/zinc/68/96/33/791689633.db2.gz NIBOHCUGFPGYPO-IMRBUKKESA-N 1 0 349.453 -1.236 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114755608 791689735 /nfs/dbraw/zinc/68/97/35/791689735.db2.gz OXBIWKJWUSPGBB-SVDPJWKOSA-N 1 0 332.426 -1.764 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114755609 791689500 /nfs/dbraw/zinc/68/95/00/791689500.db2.gz OXBIWKJWUSPGBB-UXCLJVHYSA-N 1 0 332.426 -1.764 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114755841 791690068 /nfs/dbraw/zinc/69/00/68/791690068.db2.gz QWELKAPGULRLTA-IWIIMEHWSA-N 1 0 332.426 -1.810 20 0 EAADRO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756060 791689548 /nfs/dbraw/zinc/68/95/48/791689548.db2.gz UQMPJQWFKUBDQE-YABSGUDNSA-N 1 0 346.453 -1.420 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756105 791689976 /nfs/dbraw/zinc/68/99/76/791689976.db2.gz VGYFAZSOIFTUJE-KLBPJQLPSA-N 1 0 332.426 -1.635 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756107 791689290 /nfs/dbraw/zinc/68/92/90/791689290.db2.gz VGYFAZSOIFTUJE-MIZYBKAJSA-N 1 0 332.426 -1.635 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114756205 791689904 /nfs/dbraw/zinc/68/99/04/791689904.db2.gz XHCUISZDWBNDFR-NNYUYHANSA-N 1 0 326.397 -1.551 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114756206 791689347 /nfs/dbraw/zinc/68/93/47/791689347.db2.gz XHCUISZDWBNDFR-WYUUTHIRSA-N 1 0 326.397 -1.551 20 0 EAADRO 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/nfs/dbraw/zinc/66/33/56/792663356.db2.gz NFSOERHUKDVTSM-NWDGAFQWSA-N 1 0 341.412 -1.531 20 0 EAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC001116168363 792663386 /nfs/dbraw/zinc/66/33/86/792663386.db2.gz NFSOERHUKDVTSM-RYUDHWBXSA-N 1 0 341.412 -1.531 20 0 EAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC001116168364 792663570 /nfs/dbraw/zinc/66/35/70/792663570.db2.gz NFSOERHUKDVTSM-VXGBXAGGSA-N 1 0 341.412 -1.531 20 0 EAADRO C[NH+](C)CCCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001116176809 792663062 /nfs/dbraw/zinc/66/30/62/792663062.db2.gz IMRWTICKKFTBSK-UHFFFAOYSA-N 1 0 345.425 -1.150 20 0 EAADRO C[NH+]1CCN(Cc2ccc(C(=O)NC(C(N)=O)C(N)=O)cc2)CC1 ZINC001116179986 792663698 /nfs/dbraw/zinc/66/36/98/792663698.db2.gz PDKRNZYOOGOWGV-UHFFFAOYSA-N 1 0 333.392 -1.497 20 0 EAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CC=CC2)c[nH]1 ZINC001116186327 792663029 /nfs/dbraw/zinc/66/30/29/792663029.db2.gz USHCMGFPKABBRB-UHFFFAOYSA-N 1 0 341.393 -1.620 20 0 EAADRO COC1CC[NH+](CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001116219546 792662891 /nfs/dbraw/zinc/66/28/91/792662891.db2.gz HGSFBORQCDAEHS-UHFFFAOYSA-N 1 0 326.353 -1.366 20 0 EAADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+](C)C)cn1 ZINC001116279747 792664840 /nfs/dbraw/zinc/66/48/40/792664840.db2.gz ZTTXOLDSIJSNRK-UHFFFAOYSA-N 1 0 340.384 -1.738 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)n1 ZINC001116330965 792664368 /nfs/dbraw/zinc/66/43/68/792664368.db2.gz KPCYLRADCKNGJI-UHFFFAOYSA-N 1 0 346.413 -1.951 20 0 EAADRO COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116332628 792664831 /nfs/dbraw/zinc/66/48/31/792664831.db2.gz XELXSFHZLYAYMP-AWEZNQCLSA-N 1 0 327.385 -1.103 20 0 EAADRO COC[C@](C)(O)CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116332629 792665132 /nfs/dbraw/zinc/66/51/32/792665132.db2.gz XELXSFHZLYAYMP-CQSZACIVSA-N 1 0 327.385 -1.103 20 0 EAADRO O=C1CNC(=O)N1CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001116346013 792666217 /nfs/dbraw/zinc/66/62/17/792666217.db2.gz KYURKOKSWRBMJY-GHMZBOCLSA-N 1 0 346.409 -2.374 20 0 EAADRO O=C1CNC(=O)N1CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001116346014 792665948 /nfs/dbraw/zinc/66/59/48/792665948.db2.gz KYURKOKSWRBMJY-MNOVXSKESA-N 1 0 346.409 -2.374 20 0 EAADRO O=C1CNC(=O)N1CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001116346015 792666128 /nfs/dbraw/zinc/66/61/28/792666128.db2.gz KYURKOKSWRBMJY-QWRGUYRKSA-N 1 0 346.409 -2.374 20 0 EAADRO O=C1CNC(=O)N1CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001116346016 792665969 /nfs/dbraw/zinc/66/59/69/792665969.db2.gz KYURKOKSWRBMJY-WDEREUQCSA-N 1 0 346.409 -2.374 20 0 EAADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCOCCS(C)(=O)=O ZINC001116364819 792666278 /nfs/dbraw/zinc/66/62/78/792666278.db2.gz XRNGCLDMXXUDFE-GFCCVEGCSA-N 1 0 325.431 -1.341 20 0 EAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCOCCS(C)(=O)=O ZINC001116364820 792666354 /nfs/dbraw/zinc/66/63/54/792666354.db2.gz XRNGCLDMXXUDFE-LBPRGKRZSA-N 1 0 325.431 -1.341 20 0 EAADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001116392118 792665866 /nfs/dbraw/zinc/66/58/66/792665866.db2.gz NTDNGPAIFPREMJ-GFCCVEGCSA-N 1 0 334.376 -1.050 20 0 EAADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001116392119 792666274 /nfs/dbraw/zinc/66/62/74/792666274.db2.gz NTDNGPAIFPREMJ-LBPRGKRZSA-N 1 0 334.376 -1.050 20 0 EAADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001116403370 792666344 /nfs/dbraw/zinc/66/63/44/792666344.db2.gz NMWRIHNMXNCMHQ-UHFFFAOYSA-N 1 0 326.353 -1.318 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)n1 ZINC001116407433 792666384 /nfs/dbraw/zinc/66/63/84/792666384.db2.gz KDGDVNPPBDLCBR-JTQLQIEISA-N 1 0 337.384 -1.348 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)n1 ZINC001116407434 792666053 /nfs/dbraw/zinc/66/60/53/792666053.db2.gz KDGDVNPPBDLCBR-SNVBAGLBSA-N 1 0 337.384 -1.348 20 0 EAADRO CC(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001116415736 792666242 /nfs/dbraw/zinc/66/62/42/792666242.db2.gz JAXYAUWUWMZLBL-NWDGAFQWSA-N 1 0 325.413 -1.027 20 0 EAADRO CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001116415737 792666253 /nfs/dbraw/zinc/66/62/53/792666253.db2.gz JAXYAUWUWMZLBL-RYUDHWBXSA-N 1 0 325.413 -1.027 20 0 EAADRO NC(=O)N[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC001116418130 792665995 /nfs/dbraw/zinc/66/59/95/792665995.db2.gz PLMAFYADQPMHRG-TXEJJXNPSA-N 1 0 328.417 -1.512 20 0 EAADRO NC(=O)C(NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C(N)=O ZINC001116419118 792665880 /nfs/dbraw/zinc/66/58/80/792665880.db2.gz XHATVEPBXQCUNT-UHFFFAOYSA-N 1 0 348.403 -1.040 20 0 EAADRO Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)nn1 ZINC001116468474 792667526 /nfs/dbraw/zinc/66/75/26/792667526.db2.gz IKLOSVSBXCLNOS-LLVKDONJSA-N 1 0 347.379 -1.052 20 0 EAADRO Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)nn1 ZINC001116468475 792666943 /nfs/dbraw/zinc/66/69/43/792666943.db2.gz IKLOSVSBXCLNOS-NSHDSACASA-N 1 0 347.379 -1.052 20 0 EAADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC001116473585 792667136 /nfs/dbraw/zinc/66/71/36/792667136.db2.gz NLBUWNQTLLJUOO-SECBINFHSA-N 1 0 326.328 -1.098 20 0 EAADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC001116473586 792667415 /nfs/dbraw/zinc/66/74/15/792667415.db2.gz NLBUWNQTLLJUOO-VIFPVBQESA-N 1 0 326.328 -1.098 20 0 EAADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1=O ZINC001116477043 792667497 /nfs/dbraw/zinc/66/74/97/792667497.db2.gz ZQJJAZFHHFOVFT-BDJLRTHQSA-N 1 0 349.391 -1.106 20 0 EAADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1=O ZINC001116477046 792667008 /nfs/dbraw/zinc/66/70/08/792667008.db2.gz ZQJJAZFHHFOVFT-BZNIZROVSA-N 1 0 349.391 -1.106 20 0 EAADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1=O ZINC001116477047 792667247 /nfs/dbraw/zinc/66/72/47/792667247.db2.gz ZQJJAZFHHFOVFT-MEDUHNTESA-N 1 0 349.391 -1.106 20 0 EAADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1=O ZINC001116477048 792667373 /nfs/dbraw/zinc/66/73/73/792667373.db2.gz ZQJJAZFHHFOVFT-ZBEGNZNMSA-N 1 0 349.391 -1.106 20 0 EAADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1C(=O)CNC1=O ZINC001116498416 792667356 /nfs/dbraw/zinc/66/73/56/792667356.db2.gz RLTJGBITAKJWHQ-UHFFFAOYSA-N 1 0 340.428 -1.183 20 0 EAADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001116503139 792667302 /nfs/dbraw/zinc/66/73/02/792667302.db2.gz PJJNRYVVSKALTH-LLVKDONJSA-N 1 0 330.385 -1.593 20 0 EAADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001116503140 792667499 /nfs/dbraw/zinc/66/74/99/792667499.db2.gz PJJNRYVVSKALTH-NSHDSACASA-N 1 0 330.385 -1.593 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC001116525538 792667200 /nfs/dbraw/zinc/66/72/00/792667200.db2.gz KHMJOOUZPXDDBI-GHMZBOCLSA-N 1 0 334.442 -1.374 20 0 EAADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC001116525556 792667493 /nfs/dbraw/zinc/66/74/93/792667493.db2.gz KHMJOOUZPXDDBI-MNOVXSKESA-N 1 0 334.442 -1.374 20 0 EAADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC001116525557 792667028 /nfs/dbraw/zinc/66/70/28/792667028.db2.gz KHMJOOUZPXDDBI-QWRGUYRKSA-N 1 0 334.442 -1.374 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC001116525558 792668453 /nfs/dbraw/zinc/66/84/53/792668453.db2.gz KHMJOOUZPXDDBI-WDEREUQCSA-N 1 0 334.442 -1.374 20 0 EAADRO CC[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC001116526321 792668554 /nfs/dbraw/zinc/66/85/54/792668554.db2.gz VSEZAXRCKMBLPM-GHMZBOCLSA-N 1 0 334.442 -1.372 20 0 EAADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC001116526322 792668431 /nfs/dbraw/zinc/66/84/31/792668431.db2.gz VSEZAXRCKMBLPM-MNOVXSKESA-N 1 0 334.442 -1.372 20 0 EAADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC001116526323 792668747 /nfs/dbraw/zinc/66/87/47/792668747.db2.gz VSEZAXRCKMBLPM-QWRGUYRKSA-N 1 0 334.442 -1.372 20 0 EAADRO CC[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC001116526324 792668631 /nfs/dbraw/zinc/66/86/31/792668631.db2.gz VSEZAXRCKMBLPM-WDEREUQCSA-N 1 0 334.442 -1.372 20 0 EAADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC001116531507 792668665 /nfs/dbraw/zinc/66/86/65/792668665.db2.gz DMMCESZTLRAOGZ-UHFFFAOYSA-N 1 0 339.400 -1.189 20 0 EAADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC001116532205 792668565 /nfs/dbraw/zinc/66/85/65/792668565.db2.gz LXICIXDOZCMXQR-UHFFFAOYSA-N 1 0 339.400 -1.189 20 0 EAADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC001116536162 792668730 /nfs/dbraw/zinc/66/87/30/792668730.db2.gz CALYJHKWONBUMQ-UHFFFAOYSA-N 1 0 339.400 -1.189 20 0 EAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC001116594066 792668185 /nfs/dbraw/zinc/66/81/85/792668185.db2.gz DIAWKORIHFKRHT-HNNXBMFYSA-N 1 0 345.363 -1.216 20 0 EAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC001116594067 792668058 /nfs/dbraw/zinc/66/80/58/792668058.db2.gz DIAWKORIHFKRHT-OAHLLOKOSA-N 1 0 345.363 -1.216 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C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001117341967 792697844 /nfs/dbraw/zinc/69/78/44/792697844.db2.gz NTCLVULQVICLIS-JTQLQIEISA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001117341968 792697771 /nfs/dbraw/zinc/69/77/71/792697771.db2.gz NTCLVULQVICLIS-SNVBAGLBSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001117347292 792697937 /nfs/dbraw/zinc/69/79/37/792697937.db2.gz NNVXRKOUQVFVBY-PELKAZGASA-N 1 0 335.364 -1.011 20 0 EAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001117347294 792698023 /nfs/dbraw/zinc/69/80/23/792698023.db2.gz NNVXRKOUQVFVBY-PRHODGIISA-N 1 0 335.364 -1.011 20 0 EAADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001117347296 792697654 /nfs/dbraw/zinc/69/76/54/792697654.db2.gz NNVXRKOUQVFVBY-QPUJVOFHSA-N 1 0 335.364 -1.011 20 0 EAADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001117347298 792698476 /nfs/dbraw/zinc/69/84/76/792698476.db2.gz NNVXRKOUQVFVBY-UFBFGSQYSA-N 1 0 335.364 -1.011 20 0 EAADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 ZINC001117347339 792698457 /nfs/dbraw/zinc/69/84/57/792698457.db2.gz NCSQYFGWKGGMFU-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 ZINC001117347365 792697631 /nfs/dbraw/zinc/69/76/31/792697631.db2.gz NCSQYFGWKGGMFU-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[N@H+](CCNC(=O)C(=O)NCC(=O)N1CCOCC1)C(C)C ZINC001117348018 792698334 /nfs/dbraw/zinc/69/83/34/792698334.db2.gz ZLHJWTLZQLJMQA-UHFFFAOYSA-N 1 0 328.413 -1.192 20 0 EAADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001117349831 792697643 /nfs/dbraw/zinc/69/76/43/792697643.db2.gz OGKXQPORRAQJBW-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001117349832 792697605 /nfs/dbraw/zinc/69/76/05/792697605.db2.gz OGKXQPORRAQJBW-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001117351168 792698401 /nfs/dbraw/zinc/69/84/01/792698401.db2.gz FZDLJXPSXFUECO-GFCCVEGCSA-N 1 0 346.453 -1.404 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001117351170 792698354 /nfs/dbraw/zinc/69/83/54/792698354.db2.gz FZDLJXPSXFUECO-LBPRGKRZSA-N 1 0 346.453 -1.404 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC001117351648 792697795 /nfs/dbraw/zinc/69/77/95/792697795.db2.gz KELUWKRVYQZKPV-UHFFFAOYSA-N 1 0 346.453 -1.261 20 0 EAADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCS(=O)(=O)NC)CC1 ZINC001117351735 792698510 /nfs/dbraw/zinc/69/85/10/792698510.db2.gz MIASGIRJRBYYBH-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCS(=O)(=O)NC ZINC001117352282 792697874 /nfs/dbraw/zinc/69/78/74/792697874.db2.gz RCNNHHJHSZQPGT-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001117352760 792698525 /nfs/dbraw/zinc/69/85/25/792698525.db2.gz 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CCn1nc(C)c(CNC(=O)C(=O)NCC[N@H+](C)CCOC)n1 ZINC001118111026 792723244 /nfs/dbraw/zinc/72/32/44/792723244.db2.gz PTSVQKXBVMJELF-UHFFFAOYSA-N 1 0 326.401 -1.083 20 0 EAADRO COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)C1 ZINC001118111589 792723037 /nfs/dbraw/zinc/72/30/37/792723037.db2.gz GQIAIJLULCLORL-TXEJJXNPSA-N 1 0 327.381 -1.107 20 0 EAADRO CCn1nc(C)c(CNC(=O)C(=O)NCCOCC[NH+](C)C)n1 ZINC001118114192 792723297 /nfs/dbraw/zinc/72/32/97/792723297.db2.gz ZYFZROLNIWOQPK-UHFFFAOYSA-N 1 0 326.401 -1.083 20 0 EAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001118116875 792725095 /nfs/dbraw/zinc/72/50/95/792725095.db2.gz OOSNPXLDTHJFQT-ADEWGFFLSA-N 1 0 336.392 -1.151 20 0 EAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001118116876 792724980 /nfs/dbraw/zinc/72/49/80/792724980.db2.gz OOSNPXLDTHJFQT-JLLWLGSASA-N 1 0 336.392 -1.151 20 0 EAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001118116877 792724796 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EAADRO [NH3+]CCCCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001118137899 786270802 /nfs/dbraw/zinc/27/08/02/786270802.db2.gz PBPNCJURKQTHIS-STQMWFEESA-N 1 0 333.454 -1.192 20 0 EAADRO COCC[NH2+]CCNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001118140300 792724911 /nfs/dbraw/zinc/72/49/11/792724911.db2.gz LTMZUNDIBIOHDT-UHFFFAOYSA-N 1 0 338.368 -1.353 20 0 EAADRO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC001118143228 792724883 /nfs/dbraw/zinc/72/48/83/792724883.db2.gz HOPMOHNVAWUIDW-CMPLNLGQSA-N 1 0 327.381 -1.421 20 0 EAADRO COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC001118143229 792724731 /nfs/dbraw/zinc/72/47/31/792724731.db2.gz HOPMOHNVAWUIDW-JQWIXIFHSA-N 1 0 327.381 -1.421 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC001118143230 792725046 /nfs/dbraw/zinc/72/50/46/792725046.db2.gz HOPMOHNVAWUIDW-PWSUYJOCSA-N 1 0 327.381 -1.421 20 0 EAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC001118143231 792725084 /nfs/dbraw/zinc/72/50/84/792725084.db2.gz HOPMOHNVAWUIDW-ZYHUDNBSSA-N 1 0 327.381 -1.421 20 0 EAADRO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)CC1 ZINC001118143658 792724834 /nfs/dbraw/zinc/72/48/34/792724834.db2.gz RFHMNCIKLARPLJ-AAEUAGOBSA-N 1 0 341.408 -1.031 20 0 EAADRO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)CC1 ZINC001118143659 792725114 /nfs/dbraw/zinc/72/51/14/792725114.db2.gz RFHMNCIKLARPLJ-DGCLKSJQSA-N 1 0 341.408 -1.031 20 0 EAADRO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)OC)C2)CC1 ZINC001118143660 792725463 /nfs/dbraw/zinc/72/54/63/792725463.db2.gz RFHMNCIKLARPLJ-WCQYABFASA-N 1 0 341.408 -1.031 20 0 EAADRO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C(=O)OC)C[C@H](O)C2)CC1 ZINC001118143661 792725187 /nfs/dbraw/zinc/72/51/87/792725187.db2.gz RFHMNCIKLARPLJ-YPMHNXCESA-N 1 0 341.408 -1.031 20 0 EAADRO CC(=O)NCCN(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001118146448 792724549 /nfs/dbraw/zinc/72/45/49/792724549.db2.gz YLMLVNQWCXJXPT-UHFFFAOYSA-N 1 0 328.413 -1.191 20 0 EAADRO CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118147970 792725446 /nfs/dbraw/zinc/72/54/46/792725446.db2.gz KGRQKGPWNJBEGN-BFHYXJOUSA-N 1 0 335.408 -1.098 20 0 EAADRO CN(C[C@H](O)C1CC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118147971 792725423 /nfs/dbraw/zinc/72/54/23/792725423.db2.gz KGRQKGPWNJBEGN-MJBXVCDLSA-N 1 0 335.408 -1.098 20 0 EAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC001118148702 792724571 /nfs/dbraw/zinc/72/45/71/792724571.db2.gz XZYZYIPZCQYNQL-IJLUTSLNSA-N 1 0 329.397 -1.175 20 0 EAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC001118148703 792725340 /nfs/dbraw/zinc/72/53/40/792725340.db2.gz XZYZYIPZCQYNQL-QJPTWQEYSA-N 1 0 329.397 -1.175 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC001118148704 792725077 /nfs/dbraw/zinc/72/50/77/792725077.db2.gz XZYZYIPZCQYNQL-TUAOUCFPSA-N 1 0 329.397 -1.175 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC001118148705 792724769 /nfs/dbraw/zinc/72/47/69/792724769.db2.gz XZYZYIPZCQYNQL-UTUOFQBUSA-N 1 0 329.397 -1.175 20 0 EAADRO CN(CCOCCO)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118148953 792725348 /nfs/dbraw/zinc/72/53/48/792725348.db2.gz RTCUACSOJJBSDY-QWHCGFSZSA-N 1 0 339.396 -1.860 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC001118151558 792725056 /nfs/dbraw/zinc/72/50/56/792725056.db2.gz GZKRMOSTEIFPKT-NEPJUHHUSA-N 1 0 345.396 -1.937 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC001118151559 792726220 /nfs/dbraw/zinc/72/62/20/792726220.db2.gz GZKRMOSTEIFPKT-NWDGAFQWSA-N 1 0 345.396 -1.937 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC001118151560 792726487 /nfs/dbraw/zinc/72/64/87/792726487.db2.gz GZKRMOSTEIFPKT-RYUDHWBXSA-N 1 0 345.396 -1.937 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC001118151561 792726629 /nfs/dbraw/zinc/72/66/29/792726629.db2.gz GZKRMOSTEIFPKT-VXGBXAGGSA-N 1 0 345.396 -1.937 20 0 EAADRO CCN(OC)C(=O)CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001118152878 792726575 /nfs/dbraw/zinc/72/65/75/792726575.db2.gz PBMNQQVAIRTDIL-LLVKDONJSA-N 1 0 329.401 -2.126 20 0 EAADRO CCN(OC)C(=O)CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001118152879 792726696 /nfs/dbraw/zinc/72/66/96/792726696.db2.gz PBMNQQVAIRTDIL-NSHDSACASA-N 1 0 329.401 -2.126 20 0 EAADRO CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118179388 792728063 /nfs/dbraw/zinc/72/80/63/792728063.db2.gz SCNFXVHEYMDXRU-CYBMUJFWSA-N 1 0 325.413 -1.913 20 0 EAADRO CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118179389 792727616 /nfs/dbraw/zinc/72/76/16/792727616.db2.gz SCNFXVHEYMDXRU-ZDUSSCGKSA-N 1 0 325.413 -1.913 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001118182519 792728326 /nfs/dbraw/zinc/72/83/26/792728326.db2.gz USTTWTWAARNPNU-LLVKDONJSA-N 1 0 342.396 -1.713 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001118182520 792728242 /nfs/dbraw/zinc/72/82/42/792728242.db2.gz USTTWTWAARNPNU-NSHDSACASA-N 1 0 342.396 -1.713 20 0 EAADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CCn3cnnc3C1)CCO2 ZINC001118184958 792728340 /nfs/dbraw/zinc/72/83/40/792728340.db2.gz ONNHQAWKNLEORN-UHFFFAOYSA-N 1 0 348.407 -1.057 20 0 EAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001118186737 792728230 /nfs/dbraw/zinc/72/82/30/792728230.db2.gz KDPOVIXRVZEOHP-JHJVBQTASA-N 1 0 341.408 -1.221 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001118186738 792727440 /nfs/dbraw/zinc/72/74/40/792727440.db2.gz KDPOVIXRVZEOHP-UPJWGTAASA-N 1 0 341.408 -1.221 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001118186740 792728223 /nfs/dbraw/zinc/72/82/23/792728223.db2.gz KDPOVIXRVZEOHP-XQQFMLRXSA-N 1 0 341.408 -1.221 20 0 EAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001118186743 792728008 /nfs/dbraw/zinc/72/80/08/792728008.db2.gz KDPOVIXRVZEOHP-YNEHKIRRSA-N 1 0 341.408 -1.221 20 0 EAADRO CCNC(=O)CN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001118189632 792729500 /nfs/dbraw/zinc/72/95/00/792729500.db2.gz LYOSXHZDAFNQQK-UHFFFAOYSA-N 1 0 337.428 -1.089 20 0 EAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001118190961 792728851 /nfs/dbraw/zinc/72/88/51/792728851.db2.gz PWEAHZHGRUFQKJ-NXEZZACHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001118190962 792729342 /nfs/dbraw/zinc/72/93/42/792729342.db2.gz PWEAHZHGRUFQKJ-UWVGGRQHSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001118190963 792729483 /nfs/dbraw/zinc/72/94/83/792729483.db2.gz PWEAHZHGRUFQKJ-VHSXEESVSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001118190964 792729176 /nfs/dbraw/zinc/72/91/76/792729176.db2.gz PWEAHZHGRUFQKJ-ZJUUUORDSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118191307 786280156 /nfs/dbraw/zinc/28/01/56/786280156.db2.gz XSYYWPJDBZKOIA-NXEZZACHSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118191308 786280692 /nfs/dbraw/zinc/28/06/92/786280692.db2.gz XSYYWPJDBZKOIA-UWVGGRQHSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118191309 786279750 /nfs/dbraw/zinc/27/97/50/786279750.db2.gz XSYYWPJDBZKOIA-VHSXEESVSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118191310 786280709 /nfs/dbraw/zinc/28/07/09/786280709.db2.gz XSYYWPJDBZKOIA-ZJUUUORDSA-N 1 0 334.442 -1.231 20 0 EAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC001118193177 786279850 /nfs/dbraw/zinc/27/98/50/786279850.db2.gz SXTJBELWVPJYOY-UHFFFAOYSA-N 1 0 343.428 -1.493 20 0 EAADRO COCCN1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1=O ZINC001118193320 792728861 /nfs/dbraw/zinc/72/88/61/792728861.db2.gz AUOPNJNJXPZQEE-UHFFFAOYSA-N 1 0 328.413 -1.061 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCCC[NH3+])C1 ZINC001118193351 792729186 /nfs/dbraw/zinc/72/91/86/792729186.db2.gz BAVHPZAKZRAYPX-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCCCC[NH3+])C1 ZINC001118193352 792729272 /nfs/dbraw/zinc/72/92/72/792729272.db2.gz BAVHPZAKZRAYPX-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC001118197304 792729002 /nfs/dbraw/zinc/72/90/02/792729002.db2.gz QFPXLALENCVMOQ-SECBINFHSA-N 1 0 339.352 -2.280 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC001118197307 792729757 /nfs/dbraw/zinc/72/97/57/792729757.db2.gz QFPXLALENCVMOQ-VIFPVBQESA-N 1 0 339.352 -2.280 20 0 EAADRO COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001118204548 792729539 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EAADRO CC(=O)NCCN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001118211844 792729233 /nfs/dbraw/zinc/72/92/33/792729233.db2.gz WWHVFMYBVCZREC-ZDUSSCGKSA-N 1 0 341.456 -1.419 20 0 EAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCc2ncn(C)n2)C1 ZINC001118217245 792731069 /nfs/dbraw/zinc/73/10/69/792731069.db2.gz PEMXECWHHANAPZ-GFCCVEGCSA-N 1 0 338.412 -1.299 20 0 EAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCc2ncn(C)n2)C1 ZINC001118217246 792730994 /nfs/dbraw/zinc/73/09/94/792730994.db2.gz PEMXECWHHANAPZ-LBPRGKRZSA-N 1 0 338.412 -1.299 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001118217985 792730584 /nfs/dbraw/zinc/73/05/84/792730584.db2.gz DXELOSIYDVBDLC-LOWDOPEQSA-N 1 0 341.408 -1.032 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC001118217986 792730445 /nfs/dbraw/zinc/73/04/45/792730445.db2.gz DXELOSIYDVBDLC-LPWJVIDDSA-N 1 0 341.408 -1.032 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC001118217987 792730326 /nfs/dbraw/zinc/73/03/26/792730326.db2.gz DXELOSIYDVBDLC-NDBYEHHHSA-N 1 0 341.408 -1.032 20 0 EAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001118217989 792730621 /nfs/dbraw/zinc/73/06/21/792730621.db2.gz DXELOSIYDVBDLC-RNJOBUHISA-N 1 0 341.408 -1.032 20 0 EAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cn1 ZINC001118233040 792731095 /nfs/dbraw/zinc/73/10/95/792731095.db2.gz DDKYBROFMLJULD-NWDGAFQWSA-N 1 0 325.369 -1.663 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118233452 792731145 /nfs/dbraw/zinc/73/11/45/792731145.db2.gz OHPSXZPRZULSMH-UHFFFAOYSA-N 1 0 346.413 -1.951 20 0 EAADRO COC[C@@H](CCO)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118233869 792730289 /nfs/dbraw/zinc/73/02/89/792730289.db2.gz XGMHUBPAEAQWRU-LLVKDONJSA-N 1 0 327.385 -1.103 20 0 EAADRO COC[C@H](CCO)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118233870 792730398 /nfs/dbraw/zinc/73/03/98/792730398.db2.gz XGMHUBPAEAQWRU-NSHDSACASA-N 1 0 327.385 -1.103 20 0 EAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cn1 ZINC001118233872 792730576 /nfs/dbraw/zinc/73/05/76/792730576.db2.gz XJQNGVLAABIMBF-LLVKDONJSA-N 1 0 338.368 -1.904 20 0 EAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cn1 ZINC001118233873 792731129 /nfs/dbraw/zinc/73/11/29/792731129.db2.gz XJQNGVLAABIMBF-NSHDSACASA-N 1 0 338.368 -1.904 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001118234730 792730844 /nfs/dbraw/zinc/73/08/44/792730844.db2.gz DYMVGPCMYXTFRG-UHFFFAOYSA-N 1 0 349.501 -1.132 20 0 EAADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)C1CC1 ZINC001118244907 792732306 /nfs/dbraw/zinc/73/23/06/792732306.db2.gz NYHULOTVOYYCDZ-UHFFFAOYSA-N 1 0 349.391 -1.127 20 0 EAADRO CON(C)C(=O)CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118245729 792731985 /nfs/dbraw/zinc/73/19/85/792731985.db2.gz IXKWYYUPXUBLSY-UHFFFAOYSA-N 1 0 326.357 -1.481 20 0 EAADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(=O)n(CC(N)=O)c3)[C@@H]2C1 ZINC001118247402 792732167 /nfs/dbraw/zinc/73/21/67/792732167.db2.gz YNBNYUQUNIBCMN-CMPLNLGQSA-N 1 0 347.375 -1.565 20 0 EAADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C1 ZINC001118247411 792731841 /nfs/dbraw/zinc/73/18/41/792731841.db2.gz YNBNYUQUNIBCMN-JQWIXIFHSA-N 1 0 347.375 -1.565 20 0 EAADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(=O)n(CC(N)=O)c3)[C@H]2C1 ZINC001118247414 792731800 /nfs/dbraw/zinc/73/18/00/792731800.db2.gz YNBNYUQUNIBCMN-PWSUYJOCSA-N 1 0 347.375 -1.565 20 0 EAADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(=O)n(CC(N)=O)c3)[C@@H]2C1 ZINC001118247417 792732371 /nfs/dbraw/zinc/73/23/71/792732371.db2.gz YNBNYUQUNIBCMN-ZYHUDNBSSA-N 1 0 347.375 -1.565 20 0 EAADRO CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC001118255671 792733432 /nfs/dbraw/zinc/73/34/32/792733432.db2.gz ZFRFXLAYHMZJQH-GFCCVEGCSA-N 1 0 336.314 -1.151 20 0 EAADRO CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC001118255672 792733579 /nfs/dbraw/zinc/73/35/79/792733579.db2.gz ZFRFXLAYHMZJQH-LBPRGKRZSA-N 1 0 336.314 -1.151 20 0 EAADRO CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CCNC1=O ZINC001118257899 792733561 /nfs/dbraw/zinc/73/35/61/792733561.db2.gz MEBIXXSEOYPGMC-LLVKDONJSA-N 1 0 339.396 -2.434 20 0 EAADRO CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CCNC1=O ZINC001118257900 792732965 /nfs/dbraw/zinc/73/29/65/792732965.db2.gz MEBIXXSEOYPGMC-NSHDSACASA-N 1 0 339.396 -2.434 20 0 EAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001118260363 792733546 /nfs/dbraw/zinc/73/35/46/792733546.db2.gz HGTCHNLYPGTPLU-LLVKDONJSA-N 1 0 337.380 -1.760 20 0 EAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001118260364 792733635 /nfs/dbraw/zinc/73/36/35/792733635.db2.gz HGTCHNLYPGTPLU-NSHDSACASA-N 1 0 337.380 -1.760 20 0 EAADRO CCOC(=O)[C@H]1C[NH2+]CCN1CCNS(=O)(=O)CCCOC ZINC001118260502 792733280 /nfs/dbraw/zinc/73/32/80/792733280.db2.gz BKLVAXPZUDLTQU-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CCOC(=O)[C@@H]1C[NH2+]CCN1CCNS(=O)(=O)CCCOC ZINC001118260503 786287014 /nfs/dbraw/zinc/28/70/14/786287014.db2.gz BKLVAXPZUDLTQU-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[C@H]1O ZINC001118262321 792733461 /nfs/dbraw/zinc/73/34/61/792733461.db2.gz OTSMKODVHQGDNN-CHWSQXEVSA-N 1 0 340.424 -1.552 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[C@@H]1O ZINC001118262322 792733037 /nfs/dbraw/zinc/73/30/37/792733037.db2.gz OTSMKODVHQGDNN-OLZOCXBDSA-N 1 0 340.424 -1.552 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[C@H]1O ZINC001118262323 792733603 /nfs/dbraw/zinc/73/36/03/792733603.db2.gz OTSMKODVHQGDNN-QWHCGFSZSA-N 1 0 340.424 -1.552 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[C@@H]1O ZINC001118262425 792733694 /nfs/dbraw/zinc/73/36/94/792733694.db2.gz OTSMKODVHQGDNN-STQMWFEESA-N 1 0 340.424 -1.552 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC001118262599 792733316 /nfs/dbraw/zinc/73/33/16/792733316.db2.gz IFDWFZJJAUGILD-RVMXOQNASA-N 1 0 339.392 -1.062 20 0 EAADRO CC(C)C[NH2+]CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001118263650 786287612 /nfs/dbraw/zinc/28/76/12/786287612.db2.gz JGEKDDWVVGEHRD-UHFFFAOYSA-N 1 0 340.424 -1.238 20 0 EAADRO COCCCS(=O)(=O)N1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001118264021 792735337 /nfs/dbraw/zinc/73/53/37/792735337.db2.gz RLFDSVWUVPMMDK-UHFFFAOYSA-N 1 0 348.469 -1.598 20 0 EAADRO O=C(C[C@@H]1C[NH2+]CCO1)NCCNS(=O)(=O)Cc1ccon1 ZINC001118264636 792734175 /nfs/dbraw/zinc/73/41/75/792734175.db2.gz KJGSOIPIPKGHNJ-LLVKDONJSA-N 1 0 332.382 -1.411 20 0 EAADRO O=C(C[C@H]1C[NH2+]CCO1)NCCNS(=O)(=O)Cc1ccon1 ZINC001118264637 792735023 /nfs/dbraw/zinc/73/50/23/792735023.db2.gz KJGSOIPIPKGHNJ-NSHDSACASA-N 1 0 332.382 -1.411 20 0 EAADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001118265481 792734846 /nfs/dbraw/zinc/73/48/46/792734846.db2.gz PCBCFPMGJKHCLM-UHFFFAOYSA-N 1 0 348.403 -1.003 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC001118265594 792735183 /nfs/dbraw/zinc/73/51/83/792735183.db2.gz SYXMNKVFRYRKQI-WCQYABFASA-N 1 0 340.424 -1.016 20 0 EAADRO COCCNC(=O)Cn1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)cn1 ZINC001118265897 792735048 /nfs/dbraw/zinc/73/50/48/792735048.db2.gz HBFZTNXPHABNET-GFCCVEGCSA-N 1 0 325.369 -1.037 20 0 EAADRO COCCNC(=O)Cn1cc(NC(=O)C[C@H]2C[NH2+]CCO2)cn1 ZINC001118265903 792735142 /nfs/dbraw/zinc/73/51/42/792735142.db2.gz HBFZTNXPHABNET-LBPRGKRZSA-N 1 0 325.369 -1.037 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)NC2CN(C(=O)OC)C2)C[C@H]1C[NH3+] ZINC001118266197 792735132 /nfs/dbraw/zinc/73/51/32/792735132.db2.gz DAGZAHSQFNOJJH-MWLCHTKSSA-N 1 0 328.369 -1.625 20 0 EAADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001118266462 792734228 /nfs/dbraw/zinc/73/42/28/792734228.db2.gz IGSJUMORHCHGNH-UHFFFAOYSA-N 1 0 349.453 -1.236 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)NCCc2nc(C)no2)C[C@H]1C[NH3+] ZINC001118266844 792734882 /nfs/dbraw/zinc/73/48/82/792734882.db2.gz NTEMBQWUSIGVLB-GHMZBOCLSA-N 1 0 325.369 -1.141 20 0 EAADRO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001118266944 792734719 /nfs/dbraw/zinc/73/47/19/792734719.db2.gz PYQBGUHOTYLWNW-AAEUAGOBSA-N 1 0 348.403 -1.017 20 0 EAADRO Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001118266945 792734669 /nfs/dbraw/zinc/73/46/69/792734669.db2.gz PYQBGUHOTYLWNW-DGCLKSJQSA-N 1 0 348.403 -1.017 20 0 EAADRO Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001118266946 792734613 /nfs/dbraw/zinc/73/46/13/792734613.db2.gz PYQBGUHOTYLWNW-WCQYABFASA-N 1 0 348.403 -1.017 20 0 EAADRO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001118266947 792734553 /nfs/dbraw/zinc/73/45/53/792734553.db2.gz PYQBGUHOTYLWNW-YPMHNXCESA-N 1 0 348.403 -1.017 20 0 EAADRO CCN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC001118266997 792734376 /nfs/dbraw/zinc/73/43/76/792734376.db2.gz RNSWBENIEIYULM-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CCN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC001118266998 792735355 /nfs/dbraw/zinc/73/53/55/792735355.db2.gz RNSWBENIEIYULM-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO O=C(NCc1cc(=O)n2ccccc2n1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001118267048 792734922 /nfs/dbraw/zinc/73/49/22/792734922.db2.gz SUZCDMVSNFGBCW-GFCCVEGCSA-N 1 0 345.359 -1.585 20 0 EAADRO O=C(NCc1cc(=O)n2ccccc2n1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001118267049 792734957 /nfs/dbraw/zinc/73/49/57/792734957.db2.gz SUZCDMVSNFGBCW-LBPRGKRZSA-N 1 0 345.359 -1.585 20 0 EAADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC001118267156 792735069 /nfs/dbraw/zinc/73/50/69/792735069.db2.gz WPLQTOZRILPTRS-UHFFFAOYSA-N 1 0 325.369 -1.758 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC001118267673 792735226 /nfs/dbraw/zinc/73/52/26/792735226.db2.gz BLRFLHJYIQODSE-OKILXGFUSA-N 1 0 341.408 -1.160 20 0 EAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118267708 792734898 /nfs/dbraw/zinc/73/48/98/792734898.db2.gz CGPBLDFCWGYCJF-GHMZBOCLSA-N 1 0 332.426 -1.796 20 0 EAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118267709 792734736 /nfs/dbraw/zinc/73/47/36/792734736.db2.gz CGPBLDFCWGYCJF-MNOVXSKESA-N 1 0 332.426 -1.796 20 0 EAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118267710 792735011 /nfs/dbraw/zinc/73/50/11/792735011.db2.gz CGPBLDFCWGYCJF-QWRGUYRKSA-N 1 0 332.426 -1.796 20 0 EAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118267711 792734698 /nfs/dbraw/zinc/73/46/98/792734698.db2.gz CGPBLDFCWGYCJF-WDEREUQCSA-N 1 0 332.426 -1.796 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C[NH3+] ZINC001118267865 792735192 /nfs/dbraw/zinc/73/51/92/792735192.db2.gz DRKTYQBMSRJKHP-GRYCIOLGSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C[NH3+] ZINC001118267866 792734346 /nfs/dbraw/zinc/73/43/46/792734346.db2.gz DRKTYQBMSRJKHP-IJLUTSLNSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1C[NH3+] ZINC001118267867 792734685 /nfs/dbraw/zinc/73/46/85/792734685.db2.gz DRKTYQBMSRJKHP-UTUOFQBUSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[C@H]1C[NH3+] ZINC001118267868 792734771 /nfs/dbraw/zinc/73/47/71/792734771.db2.gz DRKTYQBMSRJKHP-WOPDTQHZSA-N 1 0 346.453 -1.278 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CC(NC(=O)OC)C2)CC1 ZINC001118268085 792735254 /nfs/dbraw/zinc/73/52/54/792735254.db2.gz IKFKVCKNOXQCSG-UHFFFAOYSA-N 1 0 342.396 -1.220 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C[C@H]1C[NH3+] ZINC001118268326 792735000 /nfs/dbraw/zinc/73/50/00/792735000.db2.gz MOBWEDCWCVRDAT-GRYCIOLGSA-N 1 0 339.396 -1.955 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C[C@H]1C[NH3+] ZINC001118268327 792735218 /nfs/dbraw/zinc/73/52/18/792735218.db2.gz MOBWEDCWCVRDAT-IJLUTSLNSA-N 1 0 339.396 -1.955 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NC)C2)C[C@H]1C[NH3+] ZINC001118268330 792734658 /nfs/dbraw/zinc/73/46/58/792734658.db2.gz MRAGIXVTNJJEJP-JHJVBQTASA-N 1 0 340.424 -1.207 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NC)C2)C[C@H]1C[NH3+] ZINC001118268331 792734648 /nfs/dbraw/zinc/73/46/48/792734648.db2.gz MRAGIXVTNJJEJP-YNEHKIRRSA-N 1 0 340.424 -1.207 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)C[C@H]1C[NH3+] ZINC001118268345 792734130 /nfs/dbraw/zinc/73/41/30/792734130.db2.gz NJHMHVZBWPAYQY-IJLUTSLNSA-N 1 0 343.380 -1.791 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)C[C@H]1C[NH3+] ZINC001118268346 792734540 /nfs/dbraw/zinc/73/45/40/792734540.db2.gz NJHMHVZBWPAYQY-UTUOFQBUSA-N 1 0 343.380 -1.791 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC001118268366 792734761 /nfs/dbraw/zinc/73/47/61/792734761.db2.gz NUUBZFJJXAAQKH-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC001118268367 792735124 /nfs/dbraw/zinc/73/51/24/792735124.db2.gz NUUBZFJJXAAQKH-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)CC2 ZINC001118268611 792734194 /nfs/dbraw/zinc/73/41/94/792734194.db2.gz SFQRSONOJSWGMN-UHFFFAOYSA-N 1 0 333.392 -1.090 20 0 EAADRO CNC(=O)CCN(C)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001118268711 792735091 /nfs/dbraw/zinc/73/50/91/792735091.db2.gz VYPDMXVNJGFSNY-UHFFFAOYSA-N 1 0 328.413 -1.192 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](n3cncn3)C2)C[C@H]1C[NH3+] ZINC001118268784 792734394 /nfs/dbraw/zinc/73/43/94/792734394.db2.gz XQMMLEGJZHQSGV-FRRDWIJNSA-N 1 0 336.396 -1.126 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C[C@H]1C[NH3+] ZINC001118268785 792734218 /nfs/dbraw/zinc/73/42/18/792734218.db2.gz XQMMLEGJZHQSGV-JHJVBQTASA-N 1 0 336.396 -1.126 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC(N)=O)C2)C[C@H]1C[NH3+] ZINC001118268936 792734421 /nfs/dbraw/zinc/73/44/21/792734421.db2.gz ASNOEIIRAYTONX-IJLUTSLNSA-N 1 0 326.397 -1.468 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)C[C@H]1C[NH3+] ZINC001118268937 792735084 /nfs/dbraw/zinc/73/50/84/792735084.db2.gz ASNOEIIRAYTONX-QJPTWQEYSA-N 1 0 326.397 -1.468 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC001118269412 792735152 /nfs/dbraw/zinc/73/51/52/792735152.db2.gz MCVNRFQSWZBSHJ-SRVKXCTJSA-N 1 0 327.381 -1.027 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC001118269413 792734906 /nfs/dbraw/zinc/73/49/06/792734906.db2.gz MCVNRFQSWZBSHJ-TUAOUCFPSA-N 1 0 327.381 -1.027 20 0 EAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001118278362 792734595 /nfs/dbraw/zinc/73/45/95/792734595.db2.gz ZAAMFHSSBUGPTM-GFCCVEGCSA-N 1 0 327.429 -1.539 20 0 EAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001118278363 792734570 /nfs/dbraw/zinc/73/45/70/792734570.db2.gz ZAAMFHSSBUGPTM-LBPRGKRZSA-N 1 0 327.429 -1.539 20 0 EAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCCn2cncn2)CC1=O ZINC001118281977 792734808 /nfs/dbraw/zinc/73/48/08/792734808.db2.gz NVLDMGQCLIJMQK-UHFFFAOYSA-N 1 0 337.384 -2.373 20 0 EAADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001118282682 792735324 /nfs/dbraw/zinc/73/53/24/792735324.db2.gz WSUYGUXDJBESKA-XCMOZONUSA-N 1 0 343.449 -1.053 20 0 EAADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001118282688 792734830 /nfs/dbraw/zinc/73/48/30/792734830.db2.gz WSUYGUXDJBESKA-VQNPYFGKSA-N 1 0 343.449 -1.053 20 0 EAADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118286467 786302798 /nfs/dbraw/zinc/30/27/98/786302798.db2.gz ROTQAOIJSPHIHE-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118286470 786303908 /nfs/dbraw/zinc/30/39/08/786303908.db2.gz ROTQAOIJSPHIHE-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC001118286942 792736035 /nfs/dbraw/zinc/73/60/35/792736035.db2.gz VSKTVNRGHLYZBG-XCMOZONUSA-N 1 0 343.449 -1.055 20 0 EAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC001118286943 792736127 /nfs/dbraw/zinc/73/61/27/792736127.db2.gz VSKTVNRGHLYZBG-VQNPYFGKSA-N 1 0 343.449 -1.055 20 0 EAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001118288194 792736701 /nfs/dbraw/zinc/73/67/01/792736701.db2.gz SDZMUZHOVQLORL-GRYCIOLGSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001118288195 792736500 /nfs/dbraw/zinc/73/65/00/792736500.db2.gz SDZMUZHOVQLORL-IJLUTSLNSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001118288196 792736267 /nfs/dbraw/zinc/73/62/67/792736267.db2.gz SDZMUZHOVQLORL-UTUOFQBUSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001118288197 792736742 /nfs/dbraw/zinc/73/67/42/792736742.db2.gz SDZMUZHOVQLORL-WOPDTQHZSA-N 1 0 346.453 -1.265 20 0 EAADRO CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001118293604 792737653 /nfs/dbraw/zinc/73/76/53/792737653.db2.gz KLXXKSWKQIGNJR-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO CO[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001118293605 792737564 /nfs/dbraw/zinc/73/75/64/792737564.db2.gz KLXXKSWKQIGNJR-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001118293606 792737208 /nfs/dbraw/zinc/73/72/08/792737208.db2.gz KLXXKSWKQIGNJR-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO CO[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001118293607 792738107 /nfs/dbraw/zinc/73/81/07/792738107.db2.gz KLXXKSWKQIGNJR-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCCN1CC[NH+](C)CC1 ZINC001118296738 792738120 /nfs/dbraw/zinc/73/81/20/792738120.db2.gz VVWFPGPFKVXKCC-UHFFFAOYSA-N 1 0 335.474 -1.522 20 0 EAADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118300548 792737967 /nfs/dbraw/zinc/73/79/67/792737967.db2.gz VSFDNIMBWAIYBN-NEPJUHHUSA-N 1 0 341.412 -1.027 20 0 EAADRO C[C@@H](O)CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H](C)CO ZINC001118300549 792737633 /nfs/dbraw/zinc/73/76/33/792737633.db2.gz VSFDNIMBWAIYBN-NWDGAFQWSA-N 1 0 341.412 -1.027 20 0 EAADRO C[C@H](O)CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H](C)CO ZINC001118300551 792737758 /nfs/dbraw/zinc/73/77/58/792737758.db2.gz VSFDNIMBWAIYBN-RYUDHWBXSA-N 1 0 341.412 -1.027 20 0 EAADRO C[C@@H](O)CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H](C)CO ZINC001118300552 792738100 /nfs/dbraw/zinc/73/81/00/792738100.db2.gz VSFDNIMBWAIYBN-VXGBXAGGSA-N 1 0 341.412 -1.027 20 0 EAADRO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118300638 792738024 /nfs/dbraw/zinc/73/80/24/792738024.db2.gz WPNUSFUVKUZOHC-UHFFFAOYSA-N 1 0 341.412 -1.168 20 0 EAADRO NC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1=O ZINC001118305813 792739252 /nfs/dbraw/zinc/73/92/52/792739252.db2.gz BXMNVTVJEWCKIV-UHFFFAOYSA-N 1 0 349.391 -1.126 20 0 EAADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC1 ZINC001118308557 792738992 /nfs/dbraw/zinc/73/89/92/792738992.db2.gz WZVWMTYFDHWLJR-UHFFFAOYSA-N 1 0 349.391 -1.174 20 0 EAADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001118310232 792738490 /nfs/dbraw/zinc/73/84/90/792738490.db2.gz MYGSYUWRHXBBOK-GFCCVEGCSA-N 1 0 349.391 -1.175 20 0 EAADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001118310233 792739378 /nfs/dbraw/zinc/73/93/78/792739378.db2.gz MYGSYUWRHXBBOK-LBPRGKRZSA-N 1 0 349.391 -1.175 20 0 EAADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001118318831 792738605 /nfs/dbraw/zinc/73/86/05/792738605.db2.gz DKTXNBVOQWXVLE-GFCCVEGCSA-N 1 0 326.397 -1.534 20 0 EAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@]23CCOC3)CC1=O ZINC001118324486 792738857 /nfs/dbraw/zinc/73/88/57/792738857.db2.gz WSMFDSGKPNOOHF-INIZCTEOSA-N 1 0 338.408 -1.390 20 0 EAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@]23CCOC3)CC1=O ZINC001118324487 792739910 /nfs/dbraw/zinc/73/99/10/792739910.db2.gz WSMFDSGKPNOOHF-MRXNPFEDSA-N 1 0 338.408 -1.390 20 0 EAADRO COC1(CO)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001118326451 792740420 /nfs/dbraw/zinc/74/04/20/792740420.db2.gz UMMPYASBVMPISB-GFCCVEGCSA-N 1 0 329.397 -1.519 20 0 EAADRO COC1(CO)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001118326453 792739768 /nfs/dbraw/zinc/73/97/68/792739768.db2.gz UMMPYASBVMPISB-LBPRGKRZSA-N 1 0 329.397 -1.519 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC001118326851 792740396 /nfs/dbraw/zinc/74/03/96/792740396.db2.gz WLSOAARWVAHYKA-UHFFFAOYSA-N 1 0 335.412 -1.150 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC001118327151 792740175 /nfs/dbraw/zinc/74/01/75/792740175.db2.gz YWQMBQDHQZWXJU-LLVKDONJSA-N 1 0 337.384 -2.432 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC001118327153 792740618 /nfs/dbraw/zinc/74/06/18/792740618.db2.gz YWQMBQDHQZWXJU-NSHDSACASA-N 1 0 337.384 -2.432 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC001118327638 792740074 /nfs/dbraw/zinc/74/00/74/792740074.db2.gz CHTCSZKIQJUXGO-GHMZBOCLSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC001118327640 792739810 /nfs/dbraw/zinc/73/98/10/792739810.db2.gz CHTCSZKIQJUXGO-MNOVXSKESA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC001118327641 792740256 /nfs/dbraw/zinc/74/02/56/792740256.db2.gz CHTCSZKIQJUXGO-QWRGUYRKSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC001118327643 792740001 /nfs/dbraw/zinc/74/00/01/792740001.db2.gz CHTCSZKIQJUXGO-WDEREUQCSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC001118328241 792740608 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EAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC001118331006 792740135 /nfs/dbraw/zinc/74/01/35/792740135.db2.gz HEIWLMBQCYJEEL-GFCCVEGCSA-N 1 0 335.412 -1.468 20 0 EAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC001118331007 792740502 /nfs/dbraw/zinc/74/05/02/792740502.db2.gz HEIWLMBQCYJEEL-LBPRGKRZSA-N 1 0 335.412 -1.468 20 0 EAADRO CN(CC1(O)CCOCC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118331505 792740211 /nfs/dbraw/zinc/74/02/11/792740211.db2.gz UGBPXRFHRHYXMI-QWHCGFSZSA-N 1 0 341.408 -1.736 20 0 EAADRO COC1(CO)CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC001118331656 792739903 /nfs/dbraw/zinc/73/99/03/792739903.db2.gz XBZJWUBRLQRVSU-NEPJUHHUSA-N 1 0 329.397 -1.439 20 0 EAADRO COC1(CO)CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC001118331657 792740063 /nfs/dbraw/zinc/74/00/63/792740063.db2.gz XBZJWUBRLQRVSU-NWDGAFQWSA-N 1 0 329.397 -1.439 20 0 EAADRO COC1(CO)CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC001118331658 792739924 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COCC[NH2+]C1CCN(C(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC001118333465 792741290 /nfs/dbraw/zinc/74/12/90/792741290.db2.gz NDDFTYKDGORGLG-UHFFFAOYSA-N 1 0 336.396 -1.153 20 0 EAADRO CON1CCC(N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001118334594 792741911 /nfs/dbraw/zinc/74/19/11/792741911.db2.gz SFNSXRWIRZHIJA-UONOGXRCSA-N 1 0 340.424 -1.252 20 0 EAADRO O=C(NCCN1C(=O)CCC1=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118340223 792741267 /nfs/dbraw/zinc/74/12/67/792741267.db2.gz GKVILJDIUVWTGP-WDEREUQCSA-N 1 0 338.364 -2.471 20 0 EAADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118340233 792741642 /nfs/dbraw/zinc/74/16/42/792741642.db2.gz GTRFAHWWRXSNRJ-TXEJJXNPSA-N 1 0 348.469 -1.113 20 0 EAADRO O=C(CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCOCC1 ZINC001118340858 792741830 /nfs/dbraw/zinc/74/18/30/792741830.db2.gz OFAMHXRCRBHIEL-NWDGAFQWSA-N 1 0 340.380 -2.761 20 0 EAADRO O=C(NCc1nnnn1CC1CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118345074 792741235 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ZINC001118390901 792746020 /nfs/dbraw/zinc/74/60/20/792746020.db2.gz ZZSVYOQEDRYGTB-GFCCVEGCSA-N 1 0 335.412 -1.421 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC001118390902 792745508 /nfs/dbraw/zinc/74/55/08/792745508.db2.gz ZZSVYOQEDRYGTB-LBPRGKRZSA-N 1 0 335.412 -1.421 20 0 EAADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001118399161 792745649 /nfs/dbraw/zinc/74/56/49/792745649.db2.gz BDAPSOPAJYOPIA-UHFFFAOYSA-N 1 0 335.412 -1.326 20 0 EAADRO Cc1noc(CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001118400256 792745965 /nfs/dbraw/zinc/74/59/65/792745965.db2.gz KYHADZPEZICWPP-NWDGAFQWSA-N 1 0 337.380 -1.296 20 0 EAADRO O=C(NCCOCC(F)(F)F)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118401074 792745545 /nfs/dbraw/zinc/74/55/45/792745545.db2.gz QLUBVPILSKACSF-VHSXEESVSA-N 1 0 339.314 -1.041 20 0 EAADRO CS(=O)(=O)CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118402128 792745590 /nfs/dbraw/zinc/74/55/90/792745590.db2.gz ZBFHYSXNZFTWKS-WDEREUQCSA-N 1 0 333.410 -2.185 20 0 EAADRO O=C(NCCN1C(=O)CNC1=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118402506 792746005 /nfs/dbraw/zinc/74/60/05/792746005.db2.gz CFRMRSOBPGTDMD-VHSXEESVSA-N 1 0 339.352 -3.068 20 0 EAADRO CO[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001118444391 792747488 /nfs/dbraw/zinc/74/74/88/792747488.db2.gz MFDSKEPPXPMQRF-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCNC(=O)CC2)CCO1 ZINC001118444516 792747236 /nfs/dbraw/zinc/74/72/36/792747236.db2.gz OBPDTDOSPQFKCD-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCNC(=O)CC2)CCO1 ZINC001118444518 792746793 /nfs/dbraw/zinc/74/67/93/792746793.db2.gz OBPDTDOSPQFKCD-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)n1 ZINC001118444896 792747377 /nfs/dbraw/zinc/74/73/77/792747377.db2.gz SESJJVUVFROYFM-UHFFFAOYSA-N 1 0 336.396 -1.070 20 0 EAADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC001118453574 792747127 /nfs/dbraw/zinc/74/71/27/792747127.db2.gz RYTZEFWUUBCDGD-UHFFFAOYSA-N 1 0 333.392 -1.315 20 0 EAADRO O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001118460455 792747397 /nfs/dbraw/zinc/74/73/97/792747397.db2.gz KPELZBJCDCHFMF-DXCKQFNASA-N 1 0 337.420 -1.115 20 0 EAADRO O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001118460460 792747457 /nfs/dbraw/zinc/74/74/57/792747457.db2.gz KPELZBJCDCHFMF-RVSPLBMKSA-N 1 0 337.420 -1.115 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC2=C(CCC(=O)N2)C1 ZINC001118466357 792747963 /nfs/dbraw/zinc/74/79/63/792747963.db2.gz UJCOHXZDZFZPBZ-QWHCGFSZSA-N 1 0 348.403 -1.340 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)C1O ZINC001118466976 792748153 /nfs/dbraw/zinc/74/81/53/792748153.db2.gz XTVCRKGIODCCMJ-FVCCEPFGSA-N 1 0 325.409 -1.261 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[C@H]1O ZINC001118466981 792748128 /nfs/dbraw/zinc/74/81/28/792748128.db2.gz XTVCRKGIODCCMJ-MEBFFEOJSA-N 1 0 325.409 -1.261 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)C1O ZINC001118466982 792748799 /nfs/dbraw/zinc/74/87/99/792748799.db2.gz XTVCRKGIODCCMJ-ZDEQEGDKSA-N 1 0 325.409 -1.261 20 0 EAADRO CN(CCCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)S(C)(=O)=O ZINC001118471781 792748566 /nfs/dbraw/zinc/74/85/66/792748566.db2.gz BGCOEEYFJMFSJZ-UHFFFAOYSA-N 1 0 348.469 -1.029 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)[C@H]1C[NH3+] ZINC001118472493 792748355 /nfs/dbraw/zinc/74/83/55/792748355.db2.gz KMCJJMLYOWAZRC-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1C[NH3+] ZINC001118472498 792747942 /nfs/dbraw/zinc/74/79/42/792747942.db2.gz KMCJJMLYOWAZRC-NWDGAFQWSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)[C@H]1C[NH3+] ZINC001118472500 792747949 /nfs/dbraw/zinc/74/79/49/792747949.db2.gz KMCJJMLYOWAZRC-RYUDHWBXSA-N 1 0 348.469 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1 0 346.453 -1.135 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC001118485495 792749830 /nfs/dbraw/zinc/74/98/30/792749830.db2.gz AFIPQNZHVAADEL-UTUOFQBUSA-N 1 0 346.453 -1.135 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC001118485496 792749854 /nfs/dbraw/zinc/74/98/54/792749854.db2.gz AFIPQNZHVAADEL-WOPDTQHZSA-N 1 0 346.453 -1.135 20 0 EAADRO CS(=O)(=O)NC1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC001118485811 792749816 /nfs/dbraw/zinc/74/98/16/792749816.db2.gz GWHRGUVXNFUVIN-NSHDSACASA-N 1 0 346.453 -1.167 20 0 EAADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)C[C@H]21 ZINC001118485908 792749641 /nfs/dbraw/zinc/74/96/41/792749641.db2.gz HPMAFLSZPJUQEJ-AXFHLTTASA-N 1 0 331.394 -2.408 20 0 EAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)cn1 ZINC001118486312 792749979 /nfs/dbraw/zinc/74/99/79/792749979.db2.gz KVJMJSNLBYBMEY-BGMSHATGSA-N 1 0 332.408 -1.017 20 0 EAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)cn1 ZINC001118486317 792749956 /nfs/dbraw/zinc/74/99/56/792749956.db2.gz KVJMJSNLBYBMEY-BWBHSNQOSA-N 1 0 332.408 -1.017 20 0 EAADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001118486338 792749320 /nfs/dbraw/zinc/74/93/20/792749320.db2.gz LOVORUXCFTUMOP-UHFFFAOYSA-N 1 0 337.424 -1.819 20 0 EAADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001118487159 792749890 /nfs/dbraw/zinc/74/98/90/792749890.db2.gz RPOFCEBBOBXAPD-UHFFFAOYSA-N 1 0 330.410 -2.138 20 0 EAADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC3CC1(C[NH3+])C3)CC2 ZINC001118487211 792750005 /nfs/dbraw/zinc/75/00/05/792750005.db2.gz SEFJBYBIYPXDJW-CSJGVYOVSA-N 1 0 348.407 -1.195 20 0 EAADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC3CC1(C[NH3+])C3)CC2 ZINC001118487216 792749439 /nfs/dbraw/zinc/74/94/39/792749439.db2.gz SEFJBYBIYPXDJW-NOEPWBJOSA-N 1 0 348.407 -1.195 20 0 EAADRO CN(CCCNC(=O)C(=O)NCC1=CC[NH2+]CC1)S(C)(=O)=O ZINC001118487311 792749552 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348.469 -1.110 20 0 EAADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1=O ZINC001118540612 792753912 /nfs/dbraw/zinc/75/39/12/792753912.db2.gz AHIYBEUISDUXMX-JTQLQIEISA-N 1 0 336.348 -1.172 20 0 EAADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118540648 792753983 /nfs/dbraw/zinc/75/39/83/792753983.db2.gz AMPAWKAPHUQBJK-NSHDSACASA-N 1 0 332.364 -1.566 20 0 EAADRO COc1ncc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1C(N)=O ZINC001118541125 792753342 /nfs/dbraw/zinc/75/33/42/792753342.db2.gz GOXHWPFJEGXEOA-UHFFFAOYSA-N 1 0 333.348 -1.004 20 0 EAADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC001118542249 792753240 /nfs/dbraw/zinc/75/32/40/792753240.db2.gz PKYOBEFHTHZMCH-QMMMGPOBSA-N 1 0 330.341 -1.110 20 0 EAADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC001118542934 792753484 /nfs/dbraw/zinc/75/34/84/792753484.db2.gz ZRZPNLPEJVABCI-UHFFFAOYSA-N 1 0 348.363 -1.622 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001118544555 792753664 /nfs/dbraw/zinc/75/36/64/792753664.db2.gz ADTBSTCJHWNPOD-LLVKDONJSA-N 1 0 334.442 -1.516 20 0 EAADRO CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001118545114 792753568 /nfs/dbraw/zinc/75/35/68/792753568.db2.gz FDEKRRXWEXGSDE-UHFFFAOYSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)O1 ZINC001118545449 792754011 /nfs/dbraw/zinc/75/40/11/792754011.db2.gz FXWAXQYNIFMPGY-LZUBYRBGSA-N 1 0 338.408 -1.393 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)O1 ZINC001118545455 792753636 /nfs/dbraw/zinc/75/36/36/792753636.db2.gz FXWAXQYNIFMPGY-QNGPIJNLSA-N 1 0 338.408 -1.393 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)O1 ZINC001118545457 792753970 /nfs/dbraw/zinc/75/39/70/792753970.db2.gz FXWAXQYNIFMPGY-SLMGRZLQSA-N 1 0 338.408 -1.393 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)O1 ZINC001118545459 792753436 /nfs/dbraw/zinc/75/34/36/792753436.db2.gz FXWAXQYNIFMPGY-YZUGKSJVSA-N 1 0 338.408 -1.393 20 0 EAADRO NC(=O)c1csc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)n1 ZINC001118545556 792753228 /nfs/dbraw/zinc/75/32/28/792753228.db2.gz IBKUEZYRKIJZFK-UHFFFAOYSA-N 1 0 340.409 -2.120 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1S(C)(=O)=O ZINC001118545932 792753776 /nfs/dbraw/zinc/75/37/76/792753776.db2.gz KBNKMXSXCVSYPS-KOLCDFICSA-N 1 0 332.426 -1.668 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1S(C)(=O)=O ZINC001118545933 792753682 /nfs/dbraw/zinc/75/36/82/792753682.db2.gz KBNKMXSXCVSYPS-MWLCHTKSSA-N 1 0 332.426 -1.668 20 0 EAADRO CS(=O)(=O)CCOCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001118545956 792753672 /nfs/dbraw/zinc/75/36/72/792753672.db2.gz KQZDANMYCWUUFM-UHFFFAOYSA-N 1 0 333.410 -1.887 20 0 EAADRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001118546255 792753614 /nfs/dbraw/zinc/75/36/14/792753614.db2.gz NHNVHVIZKQOIBN-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC001118546588 792753513 /nfs/dbraw/zinc/75/35/13/792753513.db2.gz OIDFSHCOLCKTLP-UHFFFAOYSA-N 1 0 347.441 -2.195 20 0 EAADRO CN(CCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)S(C)(=O)=O ZINC001118547038 792753304 /nfs/dbraw/zinc/75/33/04/792753304.db2.gz SVXGSAOIKHDSHY-UHFFFAOYSA-N 1 0 332.426 -1.666 20 0 EAADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC001118547345 792753746 /nfs/dbraw/zinc/75/37/46/792753746.db2.gz VVCBIXUBPKQBPM-CYBMUJFWSA-N 1 0 341.456 -1.197 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001118547355 792753796 /nfs/dbraw/zinc/75/37/96/792753796.db2.gz VZVQIECZELSFRJ-JTQLQIEISA-N 1 0 343.409 -1.800 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001118547356 792753842 /nfs/dbraw/zinc/75/38/42/792753842.db2.gz VZVQIECZELSFRJ-SNVBAGLBSA-N 1 0 343.409 -1.800 20 0 EAADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001118547534 792753782 /nfs/dbraw/zinc/75/37/82/792753782.db2.gz XYDXFVFHWZLYCV-LLVKDONJSA-N 1 0 328.369 -2.592 20 0 EAADRO CN(C[C@H]1COCCO1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001118547536 792754039 /nfs/dbraw/zinc/75/40/39/792754039.db2.gz XYDXFVFHWZLYCV-NSHDSACASA-N 1 0 328.369 -2.592 20 0 EAADRO CS(=O)(=O)N1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001118547556 792753298 /nfs/dbraw/zinc/75/32/98/792753298.db2.gz YLRKFKIIFNHTPF-UHFFFAOYSA-N 1 0 344.437 -1.605 20 0 EAADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC001118549057 792753546 /nfs/dbraw/zinc/75/35/46/792753546.db2.gz VQKUUVHXMSAOAV-UHFFFAOYSA-N 1 0 327.429 -1.538 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC001118549099 792753883 /nfs/dbraw/zinc/75/38/83/792753883.db2.gz WJPXQNWVWMAIKQ-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC001118549100 792753737 /nfs/dbraw/zinc/75/37/37/792753737.db2.gz WJPXQNWVWMAIKQ-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)[C@H](C[NH3+])C1 ZINC001118549293 792753903 /nfs/dbraw/zinc/75/39/03/792753903.db2.gz YKWPYZKJADMVKH-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO CN(CCC[NH3+])C(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118549296 792753404 /nfs/dbraw/zinc/75/34/04/792753404.db2.gz YREZFDBUJSPBAU-UHFFFAOYSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCN1S(C)(=O)=O ZINC001118550417 792753872 /nfs/dbraw/zinc/75/38/72/792753872.db2.gz FPRCHNPZVWRLCU-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCN1S(C)(=O)=O ZINC001118550419 792753591 /nfs/dbraw/zinc/75/35/91/792753591.db2.gz FPRCHNPZVWRLCU-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001118550607 792753879 /nfs/dbraw/zinc/75/38/79/792753879.db2.gz GISBRXQTMUYZMS-GHMZBOCLSA-N 1 0 334.442 -1.407 20 0 EAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC001118551320 792753203 /nfs/dbraw/zinc/75/32/03/792753203.db2.gz BAYKRSVCEIFLFH-MRVPVSSYSA-N 1 0 325.394 -1.074 20 0 EAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC001118551321 792753855 /nfs/dbraw/zinc/75/38/55/792753855.db2.gz BAYKRSVCEIFLFH-QMMMGPOBSA-N 1 0 325.394 -1.074 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC001118551340 792753946 /nfs/dbraw/zinc/75/39/46/792753946.db2.gz BXMYMDGPVYKGOT-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO CC[C@H]1CN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC001118551341 792753190 /nfs/dbraw/zinc/75/31/90/792753190.db2.gz BXMYMDGPVYKGOT-NWDGAFQWSA-N 1 0 348.469 -1.030 20 0 EAADRO CC[C@H]1CN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC001118551342 792753327 /nfs/dbraw/zinc/75/33/27/792753327.db2.gz BXMYMDGPVYKGOT-RYUDHWBXSA-N 1 0 348.469 -1.030 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC001118551343 792753504 /nfs/dbraw/zinc/75/35/04/792753504.db2.gz BXMYMDGPVYKGOT-VXGBXAGGSA-N 1 0 348.469 -1.030 20 0 EAADRO CO[C@@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001118551678 792753254 /nfs/dbraw/zinc/75/32/54/792753254.db2.gz CWFVZVKJRCCMBW-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO CO[C@@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001118551679 792754795 /nfs/dbraw/zinc/75/47/95/792754795.db2.gz CWFVZVKJRCCMBW-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001118551704 792755152 /nfs/dbraw/zinc/75/51/52/792755152.db2.gz DIDLMQXLBANBLH-NXEZZACHSA-N 1 0 333.410 -1.875 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001118551705 792754738 /nfs/dbraw/zinc/75/47/38/792754738.db2.gz DIDLMQXLBANBLH-UWVGGRQHSA-N 1 0 333.410 -1.875 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001118551706 792754514 /nfs/dbraw/zinc/75/45/14/792754514.db2.gz DIDLMQXLBANBLH-VHSXEESVSA-N 1 0 333.410 -1.875 20 0 EAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001118551707 792755348 /nfs/dbraw/zinc/75/53/48/792755348.db2.gz DIDLMQXLBANBLH-ZJUUUORDSA-N 1 0 333.410 -1.875 20 0 EAADRO CO[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001118551732 792755239 /nfs/dbraw/zinc/75/52/39/792755239.db2.gz DVODIGKRMCAMOT-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CO[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001118551733 792755089 /nfs/dbraw/zinc/75/50/89/792755089.db2.gz DVODIGKRMCAMOT-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CN(CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)S(C)(=O)=O ZINC001118551757 786309943 /nfs/dbraw/zinc/30/99/43/786309943.db2.gz FMKJJWUODQUBBF-JTQLQIEISA-N 1 0 336.414 -2.511 20 0 EAADRO CN(CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)S(C)(=O)=O ZINC001118551758 786309610 /nfs/dbraw/zinc/30/96/10/786309610.db2.gz FMKJJWUODQUBBF-SNVBAGLBSA-N 1 0 336.414 -2.511 20 0 EAADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001118551924 786309129 /nfs/dbraw/zinc/30/91/29/786309129.db2.gz QNPOTKIPZDAPTE-SSDOTTSWSA-N 1 0 333.332 -1.209 20 0 EAADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001118551927 786308886 /nfs/dbraw/zinc/30/88/86/786308886.db2.gz QNPOTKIPZDAPTE-ZETCQYMHSA-N 1 0 333.332 -1.209 20 0 EAADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)S(C)(=O)=O ZINC001118551942 792755401 /nfs/dbraw/zinc/75/54/01/792755401.db2.gz RBKYWMNHPRHPLO-GUBZILKMSA-N 1 0 335.426 -1.235 20 0 EAADRO C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)S(C)(=O)=O ZINC001118551943 792754553 /nfs/dbraw/zinc/75/45/53/792754553.db2.gz RBKYWMNHPRHPLO-KXUCPTDWSA-N 1 0 335.426 -1.235 20 0 EAADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)S(C)(=O)=O ZINC001118551946 786309138 /nfs/dbraw/zinc/30/91/38/786309138.db2.gz RBKYWMNHPRHPLO-LPEHRKFASA-N 1 0 335.426 -1.235 20 0 EAADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)S(C)(=O)=O ZINC001118551947 786310158 /nfs/dbraw/zinc/31/01/58/786310158.db2.gz RBKYWMNHPRHPLO-UTLUCORTSA-N 1 0 335.426 -1.235 20 0 EAADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001118552393 792754703 /nfs/dbraw/zinc/75/47/03/792754703.db2.gz UHUKPZVJNDCUBW-JTQLQIEISA-N 1 0 335.430 -2.210 20 0 EAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001118552419 792754937 /nfs/dbraw/zinc/75/49/37/792754937.db2.gz UHUKPZVJNDCUBW-SNVBAGLBSA-N 1 0 335.430 -2.210 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001118552455 792754416 /nfs/dbraw/zinc/75/44/16/792754416.db2.gz UUKZUERADKBZSS-GARJFASQSA-N 1 0 333.410 -1.970 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001118552456 792754898 /nfs/dbraw/zinc/75/48/98/792754898.db2.gz UUKZUERADKBZSS-GMTAPVOTSA-N 1 0 333.410 -1.970 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001118552457 792754731 /nfs/dbraw/zinc/75/47/31/792754731.db2.gz UUKZUERADKBZSS-HBNTYKKESA-N 1 0 333.410 -1.970 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001118552458 792755215 /nfs/dbraw/zinc/75/52/15/792755215.db2.gz UUKZUERADKBZSS-OUAUKWLOSA-N 1 0 333.410 -1.970 20 0 EAADRO CN(CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC001118552578 786310215 /nfs/dbraw/zinc/31/02/15/786310215.db2.gz KCRDDUGMAMOVCT-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CN(CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC001118552582 786309888 /nfs/dbraw/zinc/30/98/88/786309888.db2.gz KCRDDUGMAMOVCT-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001118552643 792755122 /nfs/dbraw/zinc/75/51/22/792755122.db2.gz WLGMXGJSRUNLMR-NEPJUHHUSA-N 1 0 348.469 -1.032 20 0 EAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001118552644 792754803 /nfs/dbraw/zinc/75/48/03/792754803.db2.gz WLGMXGJSRUNLMR-VXGBXAGGSA-N 1 0 348.469 -1.032 20 0 EAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001118552752 792754642 /nfs/dbraw/zinc/75/46/42/792754642.db2.gz KSJBXHBSPKYWPE-JTQLQIEISA-N 1 0 333.414 -2.585 20 0 EAADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC001118553081 792755076 /nfs/dbraw/zinc/75/50/76/792755076.db2.gz PFJNBEIVCAUJPU-GHMZBOCLSA-N 1 0 333.410 -1.875 20 0 EAADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC001118553082 792755282 /nfs/dbraw/zinc/75/52/82/792755282.db2.gz PFJNBEIVCAUJPU-MNOVXSKESA-N 1 0 333.410 -1.875 20 0 EAADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC001118553083 792754676 /nfs/dbraw/zinc/75/46/76/792754676.db2.gz PFJNBEIVCAUJPU-QWRGUYRKSA-N 1 0 333.410 -1.875 20 0 EAADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC001118553084 792754855 /nfs/dbraw/zinc/75/48/55/792754855.db2.gz PFJNBEIVCAUJPU-WDEREUQCSA-N 1 0 333.410 -1.875 20 0 EAADRO COC(=O)C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1 ZINC001118553308 792755422 /nfs/dbraw/zinc/75/54/22/792755422.db2.gz RVDSAUAHRYSEIN-CHWSQXEVSA-N 1 0 340.424 -1.207 20 0 EAADRO COC(=O)C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1 ZINC001118553309 792755110 /nfs/dbraw/zinc/75/51/10/792755110.db2.gz RVDSAUAHRYSEIN-OLZOCXBDSA-N 1 0 340.424 -1.207 20 0 EAADRO COC(=O)C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1 ZINC001118553310 792754969 /nfs/dbraw/zinc/75/49/69/792754969.db2.gz RVDSAUAHRYSEIN-QWHCGFSZSA-N 1 0 340.424 -1.207 20 0 EAADRO COC(=O)C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1 ZINC001118553311 792755190 /nfs/dbraw/zinc/75/51/90/792755190.db2.gz RVDSAUAHRYSEIN-STQMWFEESA-N 1 0 340.424 -1.207 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC001118553349 792754606 /nfs/dbraw/zinc/75/46/06/792754606.db2.gz AMJXQJWZVHQDFE-GHMZBOCLSA-N 1 0 334.442 -1.374 20 0 EAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC001118553350 792754454 /nfs/dbraw/zinc/75/44/54/792754454.db2.gz AMJXQJWZVHQDFE-WDEREUQCSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1S(C)(=O)=O ZINC001118553369 792754461 /nfs/dbraw/zinc/75/44/61/792754461.db2.gz BGQVDJNYDDMUIQ-CDWSIMAYSA-N 1 0 344.437 -1.653 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001118553693 792754849 /nfs/dbraw/zinc/75/48/49/792754849.db2.gz JDAQWIBLFCYOIE-GHMZBOCLSA-N 1 0 334.442 -1.502 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001118553694 792754722 /nfs/dbraw/zinc/75/47/22/792754722.db2.gz JDAQWIBLFCYOIE-MNOVXSKESA-N 1 0 334.442 -1.502 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001118553695 792755325 /nfs/dbraw/zinc/75/53/25/792755325.db2.gz JDAQWIBLFCYOIE-QWRGUYRKSA-N 1 0 334.442 -1.502 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001118553696 792755332 /nfs/dbraw/zinc/75/53/32/792755332.db2.gz JDAQWIBLFCYOIE-WDEREUQCSA-N 1 0 334.442 -1.502 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001118553726 792754564 /nfs/dbraw/zinc/75/45/64/792754564.db2.gz KSYTUSOQWSUMPQ-LLVKDONJSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001118553727 792755317 /nfs/dbraw/zinc/75/53/17/792755317.db2.gz KSYTUSOQWSUMPQ-NSHDSACASA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001118553796 792754765 /nfs/dbraw/zinc/75/47/65/792754765.db2.gz XPUBUGSQNLVBTM-SSDOTTSWSA-N 1 0 333.332 -1.115 20 0 EAADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001118553797 792754658 /nfs/dbraw/zinc/75/46/58/792754658.db2.gz XPUBUGSQNLVBTM-ZETCQYMHSA-N 1 0 333.332 -1.115 20 0 EAADRO CNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)s1 ZINC001118553891 792754581 /nfs/dbraw/zinc/75/45/81/792754581.db2.gz LSXNLDNIYCSGQD-MRVPVSSYSA-N 1 0 348.450 -1.004 20 0 EAADRO CNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)s1 ZINC001118553894 792755362 /nfs/dbraw/zinc/75/53/62/792755362.db2.gz LSXNLDNIYCSGQD-QMMMGPOBSA-N 1 0 348.450 -1.004 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC001118554229 792754572 /nfs/dbraw/zinc/75/45/72/792754572.db2.gz RMMRGQSZIDNHKF-GFCCVEGCSA-N 1 0 348.469 -1.030 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@]3(CCOC3)C2)n1 ZINC001118554405 792754750 /nfs/dbraw/zinc/75/47/50/792754750.db2.gz UJUBTPHHTGYYFB-HNNXBMFYSA-N 1 0 335.364 -1.104 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)n1 ZINC001118554406 792754381 /nfs/dbraw/zinc/75/43/81/792754381.db2.gz UJUBTPHHTGYYFB-OAHLLOKOSA-N 1 0 335.364 -1.104 20 0 EAADRO CN(CCCNC(=O)C(=O)NCC[N@H+](C)C1CC1)S(C)(=O)=O ZINC001118559864 792754692 /nfs/dbraw/zinc/75/46/92/792754692.db2.gz VROIRTLWKIFUTF-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CN(CCCNC(=O)C(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC001118560026 792755180 /nfs/dbraw/zinc/75/51/80/792755180.db2.gz YWSNOIWKNBPOMO-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CN(CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)S(C)(=O)=O ZINC001118565588 792755390 /nfs/dbraw/zinc/75/53/90/792755390.db2.gz OMYIGCUCNSFHJK-TXEJJXNPSA-N 1 0 348.469 -1.160 20 0 EAADRO COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cn1 ZINC001118569606 792754996 /nfs/dbraw/zinc/75/49/96/792754996.db2.gz ILXSBXPTHCRBHX-NEPJUHHUSA-N 1 0 325.369 -1.052 20 0 EAADRO COCCNC(=O)Cn1cc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cn1 ZINC001118569607 792754908 /nfs/dbraw/zinc/75/49/08/792754908.db2.gz ILXSBXPTHCRBHX-NWDGAFQWSA-N 1 0 325.369 -1.052 20 0 EAADRO COCCNC(=O)Cn1cc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cn1 ZINC001118569609 792754428 /nfs/dbraw/zinc/75/44/28/792754428.db2.gz ILXSBXPTHCRBHX-RYUDHWBXSA-N 1 0 325.369 -1.052 20 0 EAADRO COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cn1 ZINC001118569610 792754928 /nfs/dbraw/zinc/75/49/28/792754928.db2.gz ILXSBXPTHCRBHX-VXGBXAGGSA-N 1 0 325.369 -1.052 20 0 EAADRO COCC(=O)NC1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC001118571883 792754959 /nfs/dbraw/zinc/75/49/59/792754959.db2.gz KTYXFJHFRWYNET-UHFFFAOYSA-N 1 0 338.408 -1.310 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC001118572939 792754708 /nfs/dbraw/zinc/75/47/08/792754708.db2.gz YSNMOVIHTFLRKY-UHFFFAOYSA-N 1 0 334.442 -1.276 20 0 EAADRO CCN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CCS(=O)(=O)C1 ZINC001118573043 792755221 /nfs/dbraw/zinc/75/52/21/792755221.db2.gz ZOCJBJMYEYRMCO-CVZZAPKMSA-N 1 0 329.422 -1.028 20 0 EAADRO CCN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CCS(=O)(=O)C1 ZINC001118573044 792756138 /nfs/dbraw/zinc/75/61/38/792756138.db2.gz ZOCJBJMYEYRMCO-IQLKVPPVSA-N 1 0 329.422 -1.028 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1S(C)(=O)=O ZINC001118573406 792756238 /nfs/dbraw/zinc/75/62/38/792756238.db2.gz AIAPCQQTUGYQJK-UTUOFQBUSA-N 1 0 344.437 -1.844 20 0 EAADRO NC(=O)COC1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001118573409 792756605 /nfs/dbraw/zinc/75/66/05/792756605.db2.gz AIBFOKRMZCTNOI-GHMZBOCLSA-N 1 0 330.360 -1.623 20 0 EAADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC001118573437 792756167 /nfs/dbraw/zinc/75/61/67/792756167.db2.gz APARIESRLWJKPN-QWHCGFSZSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC001118573438 792756004 /nfs/dbraw/zinc/75/60/04/792756004.db2.gz APARIESRLWJKPN-STQMWFEESA-N 1 0 340.424 -1.064 20 0 EAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC001118573624 792755719 /nfs/dbraw/zinc/75/57/19/792755719.db2.gz DSCQDXVRYUSVLZ-GMTAPVOTSA-N 1 0 331.344 -1.325 20 0 EAADRO COC(=O)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC001118573625 792756260 /nfs/dbraw/zinc/75/62/60/792756260.db2.gz DSCQDXVRYUSVLZ-HBNTYKKESA-N 1 0 331.344 -1.325 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CCCO1 ZINC001118573746 792756707 /nfs/dbraw/zinc/75/67/07/792756707.db2.gz HNKAJRRYXMHSOR-CHWSQXEVSA-N 1 0 336.396 -1.297 20 0 EAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CCCO1 ZINC001118573747 792756155 /nfs/dbraw/zinc/75/61/55/792756155.db2.gz HNKAJRRYXMHSOR-OLZOCXBDSA-N 1 0 336.396 -1.297 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CCCO1 ZINC001118573748 792756376 /nfs/dbraw/zinc/75/63/76/792756376.db2.gz HNKAJRRYXMHSOR-QWHCGFSZSA-N 1 0 336.396 -1.297 20 0 EAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CCCO1 ZINC001118573749 792756146 /nfs/dbraw/zinc/75/61/46/792756146.db2.gz HNKAJRRYXMHSOR-STQMWFEESA-N 1 0 336.396 -1.297 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1S(C)(=O)=O ZINC001118573800 792755866 /nfs/dbraw/zinc/75/58/66/792755866.db2.gz IMWFGJTVANPORD-GHMZBOCLSA-N 1 0 348.425 -2.335 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1S(C)(=O)=O ZINC001118573801 792756130 /nfs/dbraw/zinc/75/61/30/792756130.db2.gz IMWFGJTVANPORD-MNOVXSKESA-N 1 0 348.425 -2.335 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001118574301 792756629 /nfs/dbraw/zinc/75/66/29/792756629.db2.gz QCJGQZGEVVDGJF-ZDCRXTMVSA-N 1 0 331.344 -1.327 20 0 EAADRO CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001118574576 792756526 /nfs/dbraw/zinc/75/65/26/792756526.db2.gz UNUHMDBVRRAWSW-LLVKDONJSA-N 1 0 336.396 -1.318 20 0 EAADRO 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COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC001118809570 792766897 /nfs/dbraw/zinc/76/68/97/792766897.db2.gz KZJYJEDYGIPHNS-KATARQTJSA-N 1 0 326.353 -1.336 20 0 EAADRO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001118809571 792766275 /nfs/dbraw/zinc/76/62/75/792766275.db2.gz KZJYJEDYGIPHNS-XKNYDFJKSA-N 1 0 326.353 -1.336 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC001118822711 792768268 /nfs/dbraw/zinc/76/82/68/792768268.db2.gz PTYNUWQTROLEBD-CHWSQXEVSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC001118822712 792768314 /nfs/dbraw/zinc/76/83/14/792768314.db2.gz PTYNUWQTROLEBD-OLZOCXBDSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC001118822713 792767971 /nfs/dbraw/zinc/76/79/71/792767971.db2.gz PTYNUWQTROLEBD-QWHCGFSZSA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCO1 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20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@@H](C)O1 ZINC001118836249 792769229 /nfs/dbraw/zinc/76/92/29/792769229.db2.gz IFDWFZJJAUGILD-XQHKEYJVSA-N 1 0 339.392 -1.062 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC001118838810 792769545 /nfs/dbraw/zinc/76/95/45/792769545.db2.gz MSQXXNYTXUBZQZ-GFCCVEGCSA-N 1 0 341.412 -1.837 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC001118838811 792769703 /nfs/dbraw/zinc/76/97/03/792769703.db2.gz MSQXXNYTXUBZQZ-LBPRGKRZSA-N 1 0 341.412 -1.837 20 0 EAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001118854046 792771578 /nfs/dbraw/zinc/77/15/78/792771578.db2.gz BIUGMDTXJJWIHK-MROQNXINSA-N 1 0 336.392 -1.857 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC001118859041 792771694 /nfs/dbraw/zinc/77/16/94/792771694.db2.gz BVCYSEUNTXQVHC-LLVKDONJSA-N 1 0 334.380 -1.032 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC001118859042 792771321 /nfs/dbraw/zinc/77/13/21/792771321.db2.gz BVCYSEUNTXQVHC-NSHDSACASA-N 1 0 334.380 -1.032 20 0 EAADRO NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001118860786 792771127 /nfs/dbraw/zinc/77/11/27/792771127.db2.gz XENDFJJPUNTPLT-UHFFFAOYSA-N 1 0 342.377 -1.488 20 0 EAADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC001118861180 792771486 /nfs/dbraw/zinc/77/14/86/792771486.db2.gz AFOODASXOHNUKS-LLVKDONJSA-N 1 0 339.396 -1.499 20 0 EAADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC001118861181 792770848 /nfs/dbraw/zinc/77/08/48/792770848.db2.gz AFOODASXOHNUKS-NSHDSACASA-N 1 0 339.396 -1.499 20 0 EAADRO COCC[NH2+]CCNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001118862104 792771075 /nfs/dbraw/zinc/77/10/75/792771075.db2.gz URWAAEQUJVDSQK-UHFFFAOYSA-N 1 0 343.428 -1.398 20 0 EAADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118862105 792770585 /nfs/dbraw/zinc/77/05/85/792770585.db2.gz UTFYWKHUMHQTRB-LLVKDONJSA-N 1 0 326.397 -1.262 20 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334.442 -1.374 20 0 EAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001118864315 792770520 /nfs/dbraw/zinc/77/05/20/792770520.db2.gz BYBIDLDLUFJASS-HBNTYKKESA-N 1 0 334.442 -1.374 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NCCN1C(=O)CNC1=O ZINC001118864316 792771378 /nfs/dbraw/zinc/77/13/78/792771378.db2.gz BYBXXLBDBDXKPM-UHFFFAOYSA-N 1 0 329.357 -2.651 20 0 EAADRO CN(C)c1ncc(CNC(=O)C(=O)N(C)CCOCC[NH3+])n1C ZINC001118864527 792770650 /nfs/dbraw/zinc/77/06/50/792770650.db2.gz CLKAJCPMHZIFJZ-UHFFFAOYSA-N 1 0 326.401 -1.464 20 0 EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001118864886 792770435 /nfs/dbraw/zinc/77/04/35/792770435.db2.gz GKNOETZGYYZJFA-BETUJISGSA-N 1 0 332.426 -1.890 20 0 EAADRO CC(C)(CNC(=O)C(=O)NCCOCCC[NH3+])NS(C)(=O)=O ZINC001118865133 792771360 /nfs/dbraw/zinc/77/13/60/792771360.db2.gz IXPVMYUMOROPPN-UHFFFAOYSA-N 1 0 338.430 -2.088 20 0 EAADRO CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118865247 792770302 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CN1CCC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1=O ZINC001118866092 792771639 /nfs/dbraw/zinc/77/16/39/792771639.db2.gz BETAPYLOZJIQPI-JTQLQIEISA-N 1 0 325.369 -2.729 20 0 EAADRO CN1CCC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1=O ZINC001118866094 792771426 /nfs/dbraw/zinc/77/14/26/792771426.db2.gz BETAPYLOZJIQPI-SNVBAGLBSA-N 1 0 325.369 -2.729 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001118866118 792770686 /nfs/dbraw/zinc/77/06/86/792770686.db2.gz BQNCRSFJWVBZGY-UHFFFAOYSA-N 1 0 338.430 -2.182 20 0 EAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ncccc1S(C)(=O)=O ZINC001118866124 792770560 /nfs/dbraw/zinc/77/05/60/792770560.db2.gz CARVFICODHAXIK-SECBINFHSA-N 1 0 328.394 -1.093 20 0 EAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ncccc1S(C)(=O)=O ZINC001118866127 792770676 /nfs/dbraw/zinc/77/06/76/792770676.db2.gz CARVFICODHAXIK-VIFPVBQESA-N 1 0 328.394 -1.093 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CCOCC1 ZINC001118866307 792771166 /nfs/dbraw/zinc/77/11/66/792771166.db2.gz XFKNKJCETXHDEF-NEPJUHHUSA-N 1 0 338.408 -1.120 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CCOCC1 ZINC001118866311 792771655 /nfs/dbraw/zinc/77/16/55/792771655.db2.gz XFKNKJCETXHDEF-NWDGAFQWSA-N 1 0 338.408 -1.120 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CCOCC1 ZINC001118866312 792770346 /nfs/dbraw/zinc/77/03/46/792770346.db2.gz XFKNKJCETXHDEF-RYUDHWBXSA-N 1 0 338.408 -1.120 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CCOCC1 ZINC001118866313 792770360 /nfs/dbraw/zinc/77/03/60/792770360.db2.gz XFKNKJCETXHDEF-VXGBXAGGSA-N 1 0 338.408 -1.120 20 0 EAADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC001118866369 792771082 /nfs/dbraw/zinc/77/10/82/792771082.db2.gz AKTCIGFINIWHSK-LLVKDONJSA-N 1 0 340.405 -1.311 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1nnnn1C1CC1 ZINC001118866685 792770545 /nfs/dbraw/zinc/77/05/45/792770545.db2.gz HAQIQTLNQMVBRM-UHFFFAOYSA-N 1 0 325.373 -1.681 20 0 EAADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001118866740 792770662 /nfs/dbraw/zinc/77/06/62/792770662.db2.gz CUYFRUCHZHJFQV-UHFFFAOYSA-N 1 0 336.414 -2.524 20 0 EAADRO C[NH2+]CCCNC(=O)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001118866811 792770574 /nfs/dbraw/zinc/77/05/74/792770574.db2.gz INOXZMQHLDRWCW-UHFFFAOYSA-N 1 0 341.412 -2.091 20 0 EAADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001118866885 792771464 /nfs/dbraw/zinc/77/14/64/792771464.db2.gz FWVXNQYTHAZQMO-LLVKDONJSA-N 1 0 334.380 -1.344 20 0 EAADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001118866886 792770640 /nfs/dbraw/zinc/77/06/40/792770640.db2.gz FWVXNQYTHAZQMO-NSHDSACASA-N 1 0 334.380 -1.344 20 0 EAADRO COc1ccc(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)cn1 ZINC001118867029 792770932 /nfs/dbraw/zinc/77/09/32/792770932.db2.gz MYCCJUYLSIQDCT-UHFFFAOYSA-N 1 0 335.408 -1.230 20 0 EAADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CN(C)CCO1 ZINC001118867124 792770873 /nfs/dbraw/zinc/77/08/73/792770873.db2.gz IAEXMNWFMKZVPT-NEPJUHHUSA-N 1 0 328.413 -1.554 20 0 EAADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1CN(C)CCO1 ZINC001118867125 792771664 /nfs/dbraw/zinc/77/16/64/792771664.db2.gz IAEXMNWFMKZVPT-NWDGAFQWSA-N 1 0 328.413 -1.554 20 0 EAADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CN(C)CCO1 ZINC001118867126 792771516 /nfs/dbraw/zinc/77/15/16/792771516.db2.gz IAEXMNWFMKZVPT-RYUDHWBXSA-N 1 0 328.413 -1.554 20 0 EAADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1CN(C)CCO1 ZINC001118867127 792770502 /nfs/dbraw/zinc/77/05/02/792770502.db2.gz IAEXMNWFMKZVPT-VXGBXAGGSA-N 1 0 328.413 -1.554 20 0 EAADRO CC(C)(C)N1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1=O ZINC001118867285 792771397 /nfs/dbraw/zinc/77/13/97/792771397.db2.gz JRRNHIHELODEMF-GHMZBOCLSA-N 1 0 326.397 -1.393 20 0 EAADRO CC(C)(C)N1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1=O ZINC001118867286 792771150 /nfs/dbraw/zinc/77/11/50/792771150.db2.gz JRRNHIHELODEMF-MNOVXSKESA-N 1 0 326.397 -1.393 20 0 EAADRO CC(C)(C)N1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1=O ZINC001118867287 792771559 /nfs/dbraw/zinc/77/15/59/792771559.db2.gz JRRNHIHELODEMF-QWRGUYRKSA-N 1 0 326.397 -1.393 20 0 EAADRO CC(C)(C)N1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1=O ZINC001118867288 792770911 /nfs/dbraw/zinc/77/09/11/792770911.db2.gz JRRNHIHELODEMF-WDEREUQCSA-N 1 0 326.397 -1.393 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001118867357 792770291 /nfs/dbraw/zinc/77/02/91/792770291.db2.gz QNXKUMNPSITXBX-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001118867358 792771091 /nfs/dbraw/zinc/77/10/91/792771091.db2.gz QNXKUMNPSITXBX-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118867368 792770267 /nfs/dbraw/zinc/77/02/67/792770267.db2.gz QTOPQLLDJOWHMU-LLVKDONJSA-N 1 0 344.437 -1.509 20 0 EAADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118867369 792771368 /nfs/dbraw/zinc/77/13/68/792771368.db2.gz QTOPQLLDJOWHMU-NSHDSACASA-N 1 0 344.437 -1.509 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001118867480 792770565 /nfs/dbraw/zinc/77/05/65/792770565.db2.gz LRRLOWSUXGKMIF-LLVKDONJSA-N 1 0 335.426 -1.578 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001118867481 792770960 /nfs/dbraw/zinc/77/09/60/792770960.db2.gz LRRLOWSUXGKMIF-NSHDSACASA-N 1 0 335.426 -1.578 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001118867534 792770281 /nfs/dbraw/zinc/77/02/81/792770281.db2.gz MVSDFEUGNKXYJR-IRCOFANPSA-N 1 0 326.397 -1.395 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001118867535 792770832 /nfs/dbraw/zinc/77/08/32/792770832.db2.gz MVSDFEUGNKXYJR-NNYUYHANSA-N 1 0 326.397 -1.395 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001118867536 792771553 /nfs/dbraw/zinc/77/15/53/792771553.db2.gz MVSDFEUGNKXYJR-QCNOEVLYSA-N 1 0 326.397 -1.395 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001118867538 792772669 /nfs/dbraw/zinc/77/26/69/792772669.db2.gz MVSDFEUGNKXYJR-YFKTTZPYSA-N 1 0 326.397 -1.395 20 0 EAADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2nccnn2)CC1 ZINC001118867555 792772797 /nfs/dbraw/zinc/77/27/97/792772797.db2.gz SRSXRKVKNYNTNO-GFCCVEGCSA-N 1 0 333.396 -1.364 20 0 EAADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2nccnn2)CC1 ZINC001118867556 792773022 /nfs/dbraw/zinc/77/30/22/792773022.db2.gz SRSXRKVKNYNTNO-LBPRGKRZSA-N 1 0 333.396 -1.364 20 0 EAADRO O=C(NCc1n[nH]cc1Br)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118867558 792772494 /nfs/dbraw/zinc/77/24/94/792772494.db2.gz SSVJVHQUUVORBE-SSDOTTSWSA-N 1 0 346.185 -1.107 20 0 EAADRO O=C(NCc1n[nH]cc1Br)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118867559 792772280 /nfs/dbraw/zinc/77/22/80/792772280.db2.gz SSVJVHQUUVORBE-ZETCQYMHSA-N 1 0 346.185 -1.107 20 0 EAADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118867758 792772781 /nfs/dbraw/zinc/77/27/81/792772781.db2.gz VJINWDFUJXRGKJ-JTQLQIEISA-N 1 0 332.426 -1.666 20 0 EAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118867759 792772395 /nfs/dbraw/zinc/77/23/95/792772395.db2.gz VJINWDFUJXRGKJ-SNVBAGLBSA-N 1 0 332.426 -1.666 20 0 EAADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC001118867778 792772822 /nfs/dbraw/zinc/77/28/22/792772822.db2.gz WCUDSOULNBKNND-UHFFFAOYSA-N 1 0 347.419 -1.087 20 0 EAADRO CC(C)N1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC001118867932 792772533 /nfs/dbraw/zinc/77/25/33/792772533.db2.gz QVICPXVMCZRTNS-LLVKDONJSA-N 1 0 326.397 -1.264 20 0 EAADRO CC(C)N1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC001118867933 792772677 /nfs/dbraw/zinc/77/26/77/792772677.db2.gz QVICPXVMCZRTNS-NSHDSACASA-N 1 0 326.397 -1.264 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC001118867944 792772635 /nfs/dbraw/zinc/77/26/35/792772635.db2.gz ZJEZDSNQBZJWGT-UHFFFAOYSA-N 1 0 348.403 -1.059 20 0 EAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC001118868014 792772554 /nfs/dbraw/zinc/77/25/54/792772554.db2.gz ZTORDLVKVCSXND-UHFFFAOYSA-N 1 0 325.369 -2.729 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001118868182 792772195 /nfs/dbraw/zinc/77/21/95/792772195.db2.gz TYTDZJFFBPVCAB-QJPTWQEYSA-N 1 0 327.381 -1.109 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001118868184 792772685 /nfs/dbraw/zinc/77/26/85/792772685.db2.gz TYTDZJFFBPVCAB-SDDRHHMPSA-N 1 0 327.381 -1.109 20 0 EAADRO O=C(CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)N1CCCCC1 ZINC001118868225 792772988 /nfs/dbraw/zinc/77/29/88/792772988.db2.gz VAKIURKJIZFJHM-GFCCVEGCSA-N 1 0 326.397 -1.390 20 0 EAADRO O=C(CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)N1CCCCC1 ZINC001118868226 792772224 /nfs/dbraw/zinc/77/22/24/792772224.db2.gz VAKIURKJIZFJHM-LBPRGKRZSA-N 1 0 326.397 -1.390 20 0 EAADRO CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001118868232 792772801 /nfs/dbraw/zinc/77/28/01/792772801.db2.gz VJZRXBFNSSPFHD-JTQLQIEISA-N 1 0 332.426 -1.557 20 0 EAADRO CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001118868233 792772947 /nfs/dbraw/zinc/77/29/47/792772947.db2.gz VJZRXBFNSSPFHD-SNVBAGLBSA-N 1 0 332.426 -1.557 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC001118868565 792772912 /nfs/dbraw/zinc/77/29/12/792772912.db2.gz YCACJJVHWPZLIK-UHFFFAOYSA-N 1 0 328.413 -1.063 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001118869649 792772453 /nfs/dbraw/zinc/77/24/53/792772453.db2.gz BFXKKWJXRMUGFF-LLVKDONJSA-N 1 0 341.412 -2.093 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001118869650 792772103 /nfs/dbraw/zinc/77/21/03/792772103.db2.gz BFXKKWJXRMUGFF-NSHDSACASA-N 1 0 341.412 -2.093 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC001118869798 792772902 /nfs/dbraw/zinc/77/29/02/792772902.db2.gz CGVUXCSIVMFJBZ-UHFFFAOYSA-N 1 0 347.375 -1.208 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)CS1(=O)=O ZINC001118869866 792772753 /nfs/dbraw/zinc/77/27/53/792772753.db2.gz FHQOFIPQMDNHMC-GHMZBOCLSA-N 1 0 347.437 -1.308 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)CS1(=O)=O ZINC001118869867 792772365 /nfs/dbraw/zinc/77/23/65/792772365.db2.gz FHQOFIPQMDNHMC-MNOVXSKESA-N 1 0 347.437 -1.308 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)CS1(=O)=O ZINC001118869868 792772457 /nfs/dbraw/zinc/77/24/57/792772457.db2.gz FHQOFIPQMDNHMC-QWRGUYRKSA-N 1 0 347.437 -1.308 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)CS1(=O)=O ZINC001118869869 792772487 /nfs/dbraw/zinc/77/24/87/792772487.db2.gz FHQOFIPQMDNHMC-WDEREUQCSA-N 1 0 347.437 -1.308 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC001118870016 792772582 /nfs/dbraw/zinc/77/25/82/792772582.db2.gz GKXWEEWNKWNJBP-GRYCIOLGSA-N 1 0 341.412 -1.614 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC001118870017 792772585 /nfs/dbraw/zinc/77/25/85/792772585.db2.gz GKXWEEWNKWNJBP-IJLUTSLNSA-N 1 0 341.412 -1.614 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC001118870018 792772328 /nfs/dbraw/zinc/77/23/28/792772328.db2.gz GKXWEEWNKWNJBP-QJPTWQEYSA-N 1 0 341.412 -1.614 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC001118870019 792773086 /nfs/dbraw/zinc/77/30/86/792773086.db2.gz GKXWEEWNKWNJBP-SDDRHHMPSA-N 1 0 341.412 -1.614 20 0 EAADRO [NH3+]CC1(CCNC(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC001118870051 792772512 /nfs/dbraw/zinc/77/25/12/792772512.db2.gz HKHSEMSUYPRHRO-UHFFFAOYSA-N 1 0 333.396 -1.235 20 0 EAADRO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1=O ZINC001118870424 792772592 /nfs/dbraw/zinc/77/25/92/792772592.db2.gz PBRXIYUDSNXUCB-GHMZBOCLSA-N 1 0 326.397 -1.393 20 0 EAADRO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1=O ZINC001118870425 792772861 /nfs/dbraw/zinc/77/28/61/792772861.db2.gz PBRXIYUDSNXUCB-MNOVXSKESA-N 1 0 326.397 -1.393 20 0 EAADRO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1=O ZINC001118870426 792772239 /nfs/dbraw/zinc/77/22/39/792772239.db2.gz PBRXIYUDSNXUCB-QWRGUYRKSA-N 1 0 326.397 -1.393 20 0 EAADRO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1=O ZINC001118870427 792772307 /nfs/dbraw/zinc/77/23/07/792772307.db2.gz PBRXIYUDSNXUCB-WDEREUQCSA-N 1 0 326.397 -1.393 20 0 EAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001118870438 792772063 /nfs/dbraw/zinc/77/20/63/792772063.db2.gz POIBUABBITUMNH-GFCCVEGCSA-N 1 0 338.408 -1.296 20 0 EAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001118870439 792772264 /nfs/dbraw/zinc/77/22/64/792772264.db2.gz POIBUABBITUMNH-LBPRGKRZSA-N 1 0 338.408 -1.296 20 0 EAADRO CC(C)(C)n1nnc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)n1 ZINC001118870455 792772719 /nfs/dbraw/zinc/77/27/19/792772719.db2.gz PWROHGFXXQDCPR-SECBINFHSA-N 1 0 325.373 -1.851 20 0 EAADRO CC(C)(C)n1nnc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)n1 ZINC001118870456 792772848 /nfs/dbraw/zinc/77/28/48/792772848.db2.gz PWROHGFXXQDCPR-VIFPVBQESA-N 1 0 325.373 -1.851 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC001118870503 792773044 /nfs/dbraw/zinc/77/30/44/792773044.db2.gz RAECVHUGNROIRK-GRYCIOLGSA-N 1 0 341.412 -1.601 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC001118870504 792772892 /nfs/dbraw/zinc/77/28/92/792772892.db2.gz RAECVHUGNROIRK-IJLUTSLNSA-N 1 0 341.412 -1.601 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC001118870505 792772434 /nfs/dbraw/zinc/77/24/34/792772434.db2.gz RAECVHUGNROIRK-QJPTWQEYSA-N 1 0 341.412 -1.601 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC001118870506 792772885 /nfs/dbraw/zinc/77/28/85/792772885.db2.gz RAECVHUGNROIRK-SDDRHHMPSA-N 1 0 341.412 -1.601 20 0 EAADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001118870562 792772711 /nfs/dbraw/zinc/77/27/11/792772711.db2.gz AYVWHLBFIDCGMS-GFCCVEGCSA-N 1 0 346.453 -1.215 20 0 EAADRO CCN1C[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC001118870641 792772563 /nfs/dbraw/zinc/77/25/63/792772563.db2.gz RRYXBBQZJFWWTF-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO CCN1C[C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC001118870642 792772830 /nfs/dbraw/zinc/77/28/30/792772830.db2.gz RRYXBBQZJFWWTF-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO NS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)s1 ZINC001118870835 792772378 /nfs/dbraw/zinc/77/23/78/792772378.db2.gz CWAQQCBTQQMUQK-SSDOTTSWSA-N 1 0 332.407 -1.510 20 0 EAADRO COCC(=O)NC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC001118870883 792772741 /nfs/dbraw/zinc/77/27/41/792772741.db2.gz FMJBSNFURUHESO-CMPLNLGQSA-N 1 0 326.397 -1.393 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001118870885 792772653 /nfs/dbraw/zinc/77/26/53/792772653.db2.gz FNJJXYORLNBGKO-UHFFFAOYSA-N 1 0 328.369 -1.431 20 0 EAADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2nccnn2)CC1 ZINC001118871026 792772749 /nfs/dbraw/zinc/77/27/49/792772749.db2.gz WFFRTBCTFOLPED-GFCCVEGCSA-N 1 0 349.395 -1.985 20 0 EAADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2nccnn2)CC1 ZINC001118871027 792772627 /nfs/dbraw/zinc/77/26/27/792772627.db2.gz WFFRTBCTFOLPED-LBPRGKRZSA-N 1 0 349.395 -1.985 20 0 EAADRO C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCS1(=O)=O ZINC001118871067 792772272 /nfs/dbraw/zinc/77/22/72/792772272.db2.gz DOSKOXMAZDCITB-GYSYKLTISA-N 1 0 329.422 -1.110 20 0 EAADRO C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCS1(=O)=O ZINC001118871068 792772587 /nfs/dbraw/zinc/77/25/87/792772587.db2.gz DOSKOXMAZDCITB-JTNHKYCSSA-N 1 0 329.422 -1.110 20 0 EAADRO COCCOC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001118871128 792772178 /nfs/dbraw/zinc/77/21/78/792772178.db2.gz GFPOEKXUAYOCDW-CHWSQXEVSA-N 1 0 329.397 -1.398 20 0 EAADRO COCCOC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001118871129 792772838 /nfs/dbraw/zinc/77/28/38/792772838.db2.gz GFPOEKXUAYOCDW-OLZOCXBDSA-N 1 0 329.397 -1.398 20 0 EAADRO COCCOC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001118871130 792772081 /nfs/dbraw/zinc/77/20/81/792772081.db2.gz GFPOEKXUAYOCDW-QWHCGFSZSA-N 1 0 329.397 -1.398 20 0 EAADRO COCCOC[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001118871131 792772475 /nfs/dbraw/zinc/77/24/75/792772475.db2.gz GFPOEKXUAYOCDW-STQMWFEESA-N 1 0 329.397 -1.398 20 0 EAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001118871445 792772768 /nfs/dbraw/zinc/77/27/68/792772768.db2.gz KCDVUXKQCNQHNR-CYBMUJFWSA-N 1 0 338.408 -1.438 20 0 EAADRO COC(=O)NC1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001118871460 792772764 /nfs/dbraw/zinc/77/27/64/792772764.db2.gz KHRYRZYDYBUWEC-UHFFFAOYSA-N 1 0 330.385 -1.185 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001118871492 792772055 /nfs/dbraw/zinc/77/20/55/792772055.db2.gz KWKCFOAHNTUKRP-GARJFASQSA-N 1 0 332.426 -1.655 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001118871774 792772940 /nfs/dbraw/zinc/77/29/40/792772940.db2.gz NCBYEMVTCLSKCA-GHMZBOCLSA-N 1 0 342.396 -1.632 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001118871776 792772035 /nfs/dbraw/zinc/77/20/35/792772035.db2.gz NCBYEMVTCLSKCA-MNOVXSKESA-N 1 0 342.396 -1.632 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001118871777 792772572 /nfs/dbraw/zinc/77/25/72/792772572.db2.gz NCBYEMVTCLSKCA-QWRGUYRKSA-N 1 0 342.396 -1.632 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001118871778 792773097 /nfs/dbraw/zinc/77/30/97/792773097.db2.gz NCBYEMVTCLSKCA-WDEREUQCSA-N 1 0 342.396 -1.632 20 0 EAADRO CNC(=O)NC1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001118871898 792773008 /nfs/dbraw/zinc/77/30/08/792773008.db2.gz OSXXXXXAIHWDBW-UHFFFAOYSA-N 1 0 329.401 -1.612 20 0 EAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CCO1 ZINC001118872213 792772542 /nfs/dbraw/zinc/77/25/42/792772542.db2.gz SIWIGCJHAOGFMX-LLVKDONJSA-N 1 0 331.369 -1.742 20 0 EAADRO COC(=O)C[C@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CCO1 ZINC001118872214 792772661 /nfs/dbraw/zinc/77/26/61/792772661.db2.gz SIWIGCJHAOGFMX-NSHDSACASA-N 1 0 331.369 -1.742 20 0 EAADRO CCCN(C(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC001118872251 792772969 /nfs/dbraw/zinc/77/29/69/792772969.db2.gz UFNNPGRLHBBFIL-GFCCVEGCSA-N 1 0 349.453 -1.106 20 0 EAADRO CCCN(C(=O)C(=O)NCCOCCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC001118872252 792772601 /nfs/dbraw/zinc/77/26/01/792772601.db2.gz UFNNPGRLHBBFIL-LBPRGKRZSA-N 1 0 349.453 -1.106 20 0 EAADRO COCCN1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1=O ZINC001118872642 792772816 /nfs/dbraw/zinc/77/28/16/792772816.db2.gz WYKYLQBBSQZGBN-UHFFFAOYSA-N 1 0 330.385 -2.215 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CCOCC1 ZINC001118872815 792772897 /nfs/dbraw/zinc/77/28/97/792772897.db2.gz SCUSSHCWIOWASC-GFCCVEGCSA-N 1 0 336.396 -1.249 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CCOCC1 ZINC001118872817 792773078 /nfs/dbraw/zinc/77/30/78/792773078.db2.gz SCUSSHCWIOWASC-LBPRGKRZSA-N 1 0 336.396 -1.249 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCCN(C(=O)OC)CC1 ZINC001118872846 792772209 /nfs/dbraw/zinc/77/22/09/792772209.db2.gz SPSPYPBYWPJVCG-UHFFFAOYSA-N 1 0 330.385 -1.361 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CCOCC1 ZINC001118872858 792772692 /nfs/dbraw/zinc/77/26/92/792772692.db2.gz SYBLAKAJCLXZBO-GFCCVEGCSA-N 1 0 338.408 -1.120 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)CCOCC1 ZINC001118872859 792772788 /nfs/dbraw/zinc/77/27/88/792772788.db2.gz SYBLAKAJCLXZBO-LBPRGKRZSA-N 1 0 338.408 -1.120 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC001118872988 792772408 /nfs/dbraw/zinc/77/24/08/792772408.db2.gz ZBFZELXYNMCORN-SNVBAGLBSA-N 1 0 328.369 -2.008 20 0 EAADRO COCCN1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC001118873172 792772957 /nfs/dbraw/zinc/77/29/57/792772957.db2.gz VMHPVSFJSQEXKO-UHFFFAOYSA-N 1 0 342.396 -2.072 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC001118873250 792772701 /nfs/dbraw/zinc/77/27/01/792772701.db2.gz WDYSVDMVFIPJSH-GFCCVEGCSA-N 1 0 330.385 -2.298 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC001118873256 792772869 /nfs/dbraw/zinc/77/28/69/792772869.db2.gz WDYSVDMVFIPJSH-LBPRGKRZSA-N 1 0 330.385 -2.298 20 0 EAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001118873520 792772298 /nfs/dbraw/zinc/77/22/98/792772298.db2.gz WWGLASSNUPLSJV-NWDGAFQWSA-N 1 0 326.397 -1.264 20 0 EAADRO CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118879355 792774343 /nfs/dbraw/zinc/77/43/43/792774343.db2.gz WKWAASAJYRLPPL-JTQLQIEISA-N 1 0 340.384 -1.092 20 0 EAADRO Cn1[nH]cc2c(=NC(=O)C(=O)NCCN3CC[C@@H](O)C3)ccnc1-2 ZINC001118879450 792774316 /nfs/dbraw/zinc/77/43/16/792774316.db2.gz ZMOMQUAMJFYPIX-SNVBAGLBSA-N 1 0 332.364 -1.537 20 0 EAADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC001118884261 792773548 /nfs/dbraw/zinc/77/35/48/792773548.db2.gz VKHFYKBEGAPJRJ-UHFFFAOYSA-N 1 0 326.353 -1.757 20 0 EAADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C1 ZINC001118886557 792773489 /nfs/dbraw/zinc/77/34/89/792773489.db2.gz FCYKIWQPFUAMQC-NEPJUHHUSA-N 1 0 326.397 -1.501 20 0 EAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C1 ZINC001118886559 792773691 /nfs/dbraw/zinc/77/36/91/792773691.db2.gz FCYKIWQPFUAMQC-NWDGAFQWSA-N 1 0 326.397 -1.501 20 0 EAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C1 ZINC001118886560 792774170 /nfs/dbraw/zinc/77/41/70/792774170.db2.gz FCYKIWQPFUAMQC-RYUDHWBXSA-N 1 0 326.397 -1.501 20 0 EAADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C1 ZINC001118886561 792774034 /nfs/dbraw/zinc/77/40/34/792774034.db2.gz FCYKIWQPFUAMQC-VXGBXAGGSA-N 1 0 326.397 -1.501 20 0 EAADRO O=C(C(=O)N1CCNC(=O)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001118900567 792775143 /nfs/dbraw/zinc/77/51/43/792775143.db2.gz UQCFURJFSXHFMG-CYBMUJFWSA-N 1 0 338.408 -1.438 20 0 EAADRO O=C(C(=O)N1CCNC(=O)C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001118900568 792775226 /nfs/dbraw/zinc/77/52/26/792775226.db2.gz UQCFURJFSXHFMG-ZDUSSCGKSA-N 1 0 338.408 -1.438 20 0 EAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001118900603 792774791 /nfs/dbraw/zinc/77/47/91/792774791.db2.gz VJRADLTXUBNCBQ-LLVKDONJSA-N 1 0 341.412 -2.013 20 0 EAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001118900604 792774851 /nfs/dbraw/zinc/77/48/51/792774851.db2.gz VJRADLTXUBNCBQ-NSHDSACASA-N 1 0 341.412 -2.013 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(O)(COC)CC1 ZINC001118901613 792775643 /nfs/dbraw/zinc/77/56/43/792775643.db2.gz AAGYVAJDIPXVET-UHFFFAOYSA-N 1 0 331.413 -1.319 20 0 EAADRO O=C(C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCN(c2nccnn2)CC1 ZINC001118901685 792774968 /nfs/dbraw/zinc/77/49/68/792774968.db2.gz BKNIALCQFPYLLH-UHFFFAOYSA-N 1 0 345.407 -1.125 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C[C@@H](C)O1 ZINC001118902005 792774894 /nfs/dbraw/zinc/77/48/94/792774894.db2.gz GBFIREDOOZMDGZ-KKOKHZNYSA-N 1 0 343.380 -1.650 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C[C@@H](C)O1 ZINC001118902008 792775492 /nfs/dbraw/zinc/77/54/92/792775492.db2.gz GBFIREDOOZMDGZ-KXNHARMFSA-N 1 0 343.380 -1.650 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C[C@@H](C)O1 ZINC001118902010 792774762 /nfs/dbraw/zinc/77/47/62/792774762.db2.gz GBFIREDOOZMDGZ-RHYQMDGZSA-N 1 0 343.380 -1.650 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C[C@@H](C)O1 ZINC001118902012 792775347 /nfs/dbraw/zinc/77/53/47/792775347.db2.gz GBFIREDOOZMDGZ-WYUUTHIRSA-N 1 0 343.380 -1.650 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCO1 ZINC001118902433 792775181 /nfs/dbraw/zinc/77/51/81/792775181.db2.gz LETUERLOEOVWRU-GHMZBOCLSA-N 1 0 327.385 -2.050 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCO1 ZINC001118902434 792775284 /nfs/dbraw/zinc/77/52/84/792775284.db2.gz LETUERLOEOVWRU-MNOVXSKESA-N 1 0 327.385 -2.050 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCO1 ZINC001118902435 792775253 /nfs/dbraw/zinc/77/52/53/792775253.db2.gz LETUERLOEOVWRU-QWRGUYRKSA-N 1 0 327.385 -2.050 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCO1 ZINC001118902436 792777185 /nfs/dbraw/zinc/77/71/85/792777185.db2.gz LETUERLOEOVWRU-WDEREUQCSA-N 1 0 327.385 -2.050 20 0 EAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC001118902725 792777476 /nfs/dbraw/zinc/77/74/76/792777476.db2.gz NDRFYAPYHARQIK-LLVKDONJSA-N 1 0 344.437 -1.428 20 0 EAADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC001118902779 792777281 /nfs/dbraw/zinc/77/72/81/792777281.db2.gz OVPZYYMHIQTWSA-JTQLQIEISA-N 1 0 330.410 -1.818 20 0 EAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001118902790 792776651 /nfs/dbraw/zinc/77/66/51/792776651.db2.gz PCMNLRHVEODHPI-OKILXGFUSA-N 1 0 346.453 -1.548 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC001118903018 792777324 /nfs/dbraw/zinc/77/73/24/792777324.db2.gz PSDHYGUZQXORTE-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC001118903019 792777191 /nfs/dbraw/zinc/77/71/91/792777191.db2.gz PSDHYGUZQXORTE-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC001118903020 792777156 /nfs/dbraw/zinc/77/71/56/792777156.db2.gz PSDHYGUZQXORTE-RYUDHWBXSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC001118903021 792777129 /nfs/dbraw/zinc/77/71/29/792777129.db2.gz PSDHYGUZQXORTE-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001118903034 792776278 /nfs/dbraw/zinc/77/62/78/792776278.db2.gz QDCBDPYSHKWNRT-UHFFFAOYSA-N 1 0 346.453 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792777355 /nfs/dbraw/zinc/77/73/55/792777355.db2.gz QZVSMGKAZGUIDQ-WDEREUQCSA-N 1 0 334.442 -1.420 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001118903321 792776981 /nfs/dbraw/zinc/77/69/81/792776981.db2.gz RMCHYKXSYAECOU-RYUDHWBXSA-N 1 0 342.396 -2.203 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001118903977 792777261 /nfs/dbraw/zinc/77/72/61/792777261.db2.gz BTFCPRVRTXPLFH-CYBMUJFWSA-N 1 0 346.428 -2.428 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001118903978 792776118 /nfs/dbraw/zinc/77/61/18/792776118.db2.gz BTFCPRVRTXPLFH-ZDUSSCGKSA-N 1 0 346.428 -2.428 20 0 EAADRO CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC001118904144 792776869 /nfs/dbraw/zinc/77/68/69/792776869.db2.gz YEEXVQANIJQUAA-GFCCVEGCSA-N 1 0 328.413 -1.064 20 0 EAADRO CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC001118904146 792776749 /nfs/dbraw/zinc/77/67/49/792776749.db2.gz YEEXVQANIJQUAA-LBPRGKRZSA-N 1 0 328.413 -1.064 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC001118904200 792777252 /nfs/dbraw/zinc/77/72/52/792777252.db2.gz YTJKIZDVPSZNLW-UHFFFAOYSA-N 1 0 335.426 -1.544 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001118904311 792776039 /nfs/dbraw/zinc/77/60/39/792776039.db2.gz FRQSQKQMVFPXIH-GFCCVEGCSA-N 1 0 348.469 -1.076 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001118904312 792777407 /nfs/dbraw/zinc/77/74/07/792777407.db2.gz FRQSQKQMVFPXIH-LBPRGKRZSA-N 1 0 348.469 -1.076 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCO1 ZINC001118904346 792777450 /nfs/dbraw/zinc/77/74/50/792777450.db2.gz ZVRMCOPOUUFGLB-LLVKDONJSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCO1 ZINC001118904352 792776847 /nfs/dbraw/zinc/77/68/47/792776847.db2.gz ZVRMCOPOUUFGLB-NSHDSACASA-N 1 0 341.412 -1.647 20 0 EAADRO NC(=O)C[C@H]1CN(CCCC[N@@H+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC001118904476 792777072 /nfs/dbraw/zinc/77/70/72/792777072.db2.gz XOWQUSDTLMOFPD-KBPBESRZSA-N 1 0 342.440 -1.081 20 0 EAADRO NC(=O)C[C@@H]1CN(CCCC[N@@H+]2CCO[C@H](CC(N)=O)C2)CCO1 ZINC001118904478 792776917 /nfs/dbraw/zinc/77/69/17/792776917.db2.gz XOWQUSDTLMOFPD-ZIAGYGMSSA-N 1 0 342.440 -1.081 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001118904602 792776592 /nfs/dbraw/zinc/77/65/92/792776592.db2.gz IARCOGMWFBDHCM-CYBMUJFWSA-N 1 0 340.424 -1.109 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC001118904604 792776341 /nfs/dbraw/zinc/77/63/41/792776341.db2.gz IARCOGMWFBDHCM-ZDUSSCGKSA-N 1 0 340.424 -1.109 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC1(O)CCOCC1 ZINC001118904662 792777441 /nfs/dbraw/zinc/77/74/41/792777441.db2.gz JJXHAWKDXODUSP-UHFFFAOYSA-N 1 0 331.413 -1.319 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001118904765 792776628 /nfs/dbraw/zinc/77/66/28/792776628.db2.gz LRPMBAIYWODENJ-LLVKDONJSA-N 1 0 330.385 -2.216 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001118904766 792776493 /nfs/dbraw/zinc/77/64/93/792776493.db2.gz LRPMBAIYWODENJ-NSHDSACASA-N 1 0 330.385 -2.216 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC001118904836 792776517 /nfs/dbraw/zinc/77/65/17/792776517.db2.gz ODQKEMMKNJIHHV-GFCCVEGCSA-N 1 0 349.453 -1.426 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC001118904837 792776029 /nfs/dbraw/zinc/77/60/29/792776029.db2.gz ODQKEMMKNJIHHV-LBPRGKRZSA-N 1 0 349.453 -1.426 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001118905016 792776905 /nfs/dbraw/zinc/77/69/05/792776905.db2.gz PYCABXMUVUXNJG-UHFFFAOYSA-N 1 0 341.412 -2.009 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC001118905726 792776313 /nfs/dbraw/zinc/77/63/13/792776313.db2.gz YRBUYGJSPYYSTO-LLVKDONJSA-N 1 0 334.442 -1.419 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC001118905727 792777348 /nfs/dbraw/zinc/77/73/48/792777348.db2.gz YRBUYGJSPYYSTO-NSHDSACASA-N 1 0 334.442 -1.419 20 0 EAADRO NC(=O)COCCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001118913933 792777291 /nfs/dbraw/zinc/77/72/91/792777291.db2.gz DSTLFSBGOOOZCH-UHFFFAOYSA-N 1 0 336.348 -1.275 20 0 EAADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCOCCC[NH3+] ZINC001118917480 792776444 /nfs/dbraw/zinc/77/64/44/792776444.db2.gz LLGRVTABHPNNOP-UHFFFAOYSA-N 1 0 327.341 -1.373 20 0 EAADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cnc2n(C)c1=O ZINC001118918499 792777234 /nfs/dbraw/zinc/77/72/34/792777234.db2.gz ZTJVOTRYUUTJEG-MRVPVSSYSA-N 1 0 346.347 -1.951 20 0 EAADRO CCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001118919325 792776303 /nfs/dbraw/zinc/77/63/03/792776303.db2.gz IXRBKQUOCXKRJF-JTQLQIEISA-N 1 0 334.442 -1.278 20 0 EAADRO CCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001118919326 792777146 /nfs/dbraw/zinc/77/71/46/792777146.db2.gz IXRBKQUOCXKRJF-SNVBAGLBSA-N 1 0 334.442 -1.278 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C[NH2+]1 ZINC001118919355 792777305 /nfs/dbraw/zinc/77/73/05/792777305.db2.gz JVBGUYGDHZSVDP-NXEZZACHSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C[NH2+]1 ZINC001118919356 792776075 /nfs/dbraw/zinc/77/60/75/792776075.db2.gz JVBGUYGDHZSVDP-UWVGGRQHSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C[NH2+]1 ZINC001118919357 792776085 /nfs/dbraw/zinc/77/60/85/792776085.db2.gz JVBGUYGDHZSVDP-VHSXEESVSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C[NH2+]1 ZINC001118919358 792777396 /nfs/dbraw/zinc/77/73/96/792777396.db2.gz JVBGUYGDHZSVDP-ZJUUUORDSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001118919586 792777202 /nfs/dbraw/zinc/77/72/02/792777202.db2.gz KRTGEBBTLFESRN-GARJFASQSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001118919587 792776663 /nfs/dbraw/zinc/77/66/63/792776663.db2.gz KRTGEBBTLFESRN-HBNTYKKESA-N 1 0 332.426 -1.607 20 0 EAADRO O=C(NCCNC(=O)c1cccs1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118919637 792777418 /nfs/dbraw/zinc/77/74/18/792777418.db2.gz LMDJILJJVPYCTC-JTQLQIEISA-N 1 0 340.405 -1.301 20 0 EAADRO O=C(NCCNC(=O)c1cccs1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118919638 792777006 /nfs/dbraw/zinc/77/70/06/792777006.db2.gz LMDJILJJVPYCTC-SNVBAGLBSA-N 1 0 340.405 -1.301 20 0 EAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001118919934 786319837 /nfs/dbraw/zinc/31/98/37/786319837.db2.gz QKRBOYVPZFWFMP-VHSXEESVSA-N 1 0 334.442 -1.313 20 0 EAADRO CN(C)c1ncc(CNC(=O)C(=O)NCCOCCC[NH3+])n1C ZINC001118920443 792776322 /nfs/dbraw/zinc/77/63/22/792776322.db2.gz YSIVUPWUVAVWCO-UHFFFAOYSA-N 1 0 326.401 -1.416 20 0 EAADRO C[NH2+]CCOCCNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001118921151 792776830 /nfs/dbraw/zinc/77/68/30/792776830.db2.gz LOQRKPBOGUIIBM-UHFFFAOYSA-N 1 0 343.428 -1.398 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC001118921171 792776553 /nfs/dbraw/zinc/77/65/53/792776553.db2.gz MCKUNHIFXXPWGK-UHFFFAOYSA-N 1 0 329.357 -2.522 20 0 EAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)cn1 ZINC001118923562 792776879 /nfs/dbraw/zinc/77/68/79/792776879.db2.gz BQIMTNAFEULYMC-NEPJUHHUSA-N 1 0 336.396 -1.780 20 0 EAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)cn1 ZINC001118923563 792776603 /nfs/dbraw/zinc/77/66/03/792776603.db2.gz BQIMTNAFEULYMC-NWDGAFQWSA-N 1 0 336.396 -1.780 20 0 EAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)cn1 ZINC001118923564 792776675 /nfs/dbraw/zinc/77/66/75/792776675.db2.gz BQIMTNAFEULYMC-RYUDHWBXSA-N 1 0 336.396 -1.780 20 0 EAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)cn1 ZINC001118923565 792777174 /nfs/dbraw/zinc/77/71/74/792777174.db2.gz BQIMTNAFEULYMC-VXGBXAGGSA-N 1 0 336.396 -1.780 20 0 EAADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC001118924179 792776990 /nfs/dbraw/zinc/77/69/90/792776990.db2.gz HOKGDFLZJMWFFS-GFCCVEGCSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001118924181 792776574 /nfs/dbraw/zinc/77/65/74/792776574.db2.gz HOKGDFLZJMWFFS-LBPRGKRZSA-N 1 0 348.469 -1.113 20 0 EAADRO O=C(NCC1C[NH2+]C1)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC001118924231 792777113 /nfs/dbraw/zinc/77/71/13/792777113.db2.gz GOAGXGYPZDKHPO-HNNXBMFYSA-N 1 0 347.419 -1.266 20 0 EAADRO O=C(NCC1C[NH2+]C1)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC001118924232 792776163 /nfs/dbraw/zinc/77/61/63/792776163.db2.gz GOAGXGYPZDKHPO-OAHLLOKOSA-N 1 0 347.419 -1.266 20 0 EAADRO Cn1nnc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC001118924519 792776638 /nfs/dbraw/zinc/77/66/38/792776638.db2.gz KMHWIQAVTIINBH-HTQZYQBOSA-N 1 0 349.317 -1.188 20 0 EAADRO Cn1nnc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC001118924526 792776482 /nfs/dbraw/zinc/77/64/82/792776482.db2.gz KMHWIQAVTIINBH-JGVFFNPUSA-N 1 0 349.317 -1.188 20 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/nfs/dbraw/zinc/77/89/17/792778917.db2.gz ODIYEZUIYCNWPC-NSHDSACASA-N 1 0 346.395 -1.455 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC001118925118 786320346 /nfs/dbraw/zinc/32/03/46/786320346.db2.gz NVLHEVCHQAZWSI-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)NCCNC(=O)c2cccnc2)CCOCC1 ZINC001118925163 792778000 /nfs/dbraw/zinc/77/80/00/792778000.db2.gz OHWROCLMXHVQBD-UHFFFAOYSA-N 1 0 349.391 -1.448 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)C[NH2+]1 ZINC001118925247 792777967 /nfs/dbraw/zinc/77/79/67/792777967.db2.gz QHPBMJFIDWSXDZ-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)C[NH2+]1 ZINC001118925248 786319154 /nfs/dbraw/zinc/31/91/54/786319154.db2.gz QHPBMJFIDWSXDZ-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)C[NH2+]1 ZINC001118925249 786320102 /nfs/dbraw/zinc/32/01/02/786320102.db2.gz QHPBMJFIDWSXDZ-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)C[NH2+]1 ZINC001118925250 786320191 /nfs/dbraw/zinc/32/01/91/786320191.db2.gz QHPBMJFIDWSXDZ-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC001118925483 792778820 /nfs/dbraw/zinc/77/88/20/792778820.db2.gz SIGZGMRNEQRZCY-UHFFFAOYSA-N 1 0 328.413 -1.159 20 0 EAADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001118925501 792778632 /nfs/dbraw/zinc/77/86/32/792778632.db2.gz ROPLYUMIMRNGJT-GFCCVEGCSA-N 1 0 341.456 -1.101 20 0 EAADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001118925503 792777818 /nfs/dbraw/zinc/77/78/18/792777818.db2.gz ROPLYUMIMRNGJT-LBPRGKRZSA-N 1 0 341.456 -1.101 20 0 EAADRO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001118925586 792778607 /nfs/dbraw/zinc/77/86/07/792778607.db2.gz SEYCGAIXVIBWNS-GRYCIOLGSA-N 1 0 347.437 -1.437 20 0 EAADRO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001118925587 792778082 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EAADRO CCOC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118925955 792778756 /nfs/dbraw/zinc/77/87/56/792778756.db2.gz ZIDCEACCKJSUTH-LLVKDONJSA-N 1 0 342.396 -1.043 20 0 EAADRO CCOC(=O)N1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118925956 792778541 /nfs/dbraw/zinc/77/85/41/792778541.db2.gz ZIDCEACCKJSUTH-NSHDSACASA-N 1 0 342.396 -1.043 20 0 EAADRO CSc1nnc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)s1 ZINC001118926039 792778242 /nfs/dbraw/zinc/77/82/42/792778242.db2.gz YXQCBZJULCOYNB-SSDOTTSWSA-N 1 0 331.423 -1.019 20 0 EAADRO CSc1nnc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)s1 ZINC001118926040 792778782 /nfs/dbraw/zinc/77/87/82/792778782.db2.gz YXQCBZJULCOYNB-ZETCQYMHSA-N 1 0 331.423 -1.019 20 0 EAADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(c2nccnn2)CC1 ZINC001118927110 792778721 /nfs/dbraw/zinc/77/87/21/792778721.db2.gz AQJOJUKDBLKXCA-LLVKDONJSA-N 1 0 335.368 -2.375 20 0 EAADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(c2nccnn2)CC1 ZINC001118927113 792778672 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CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC001118929281 792778336 /nfs/dbraw/zinc/77/83/36/792778336.db2.gz XRRJIQMRMVXRQT-NSHDSACASA-N 1 0 341.412 -1.963 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC001118929423 792778254 /nfs/dbraw/zinc/77/82/54/792778254.db2.gz AHTZVWJPNILQMQ-CYBMUJFWSA-N 1 0 336.396 -1.379 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC001118929424 792778195 /nfs/dbraw/zinc/77/81/95/792778195.db2.gz AHTZVWJPNILQMQ-ZDUSSCGKSA-N 1 0 336.396 -1.379 20 0 EAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC001118929596 792778073 /nfs/dbraw/zinc/77/80/73/792778073.db2.gz FHVRJLIOTCMNBT-NWDGAFQWSA-N 1 0 326.397 -1.440 20 0 EAADRO CCN(C(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H](C)CS(C)(=O)=O ZINC001118929682 792778498 /nfs/dbraw/zinc/77/84/98/792778498.db2.gz HGKQZYUKGUXSAW-LLVKDONJSA-N 1 0 349.453 -1.108 20 0 EAADRO CCN(C(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC001118929683 792778418 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CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001118929881 792778300 /nfs/dbraw/zinc/77/83/00/792778300.db2.gz MAVAJGIFFMZQCG-ZDUSSCGKSA-N 1 0 340.424 -1.144 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCO1 ZINC001118930105 792778147 /nfs/dbraw/zinc/77/81/47/792778147.db2.gz QILLGWVLEQCEER-JTQLQIEISA-N 1 0 329.353 -1.989 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCO1 ZINC001118930106 792778881 /nfs/dbraw/zinc/77/88/81/792778881.db2.gz QILLGWVLEQCEER-SNVBAGLBSA-N 1 0 329.353 -1.989 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC001118930216 792777880 /nfs/dbraw/zinc/77/78/80/792777880.db2.gz QQABKVYJEKHMHT-CYBMUJFWSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC001118930217 792778010 /nfs/dbraw/zinc/77/80/10/792778010.db2.gz QQABKVYJEKHMHT-ZDUSSCGKSA-N 1 0 338.408 -1.392 20 0 EAADRO CN1CCC2(CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C1=O ZINC001118930239 792778941 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EAADRO CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118930463 792778889 /nfs/dbraw/zinc/77/88/89/792778889.db2.gz VNFCIQIDUCTDOR-NSHDSACASA-N 1 0 347.437 -1.354 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC001118931158 792778369 /nfs/dbraw/zinc/77/83/69/792778369.db2.gz APXRNEKIGMPNNL-UHFFFAOYSA-N 1 0 338.412 -1.002 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC001118931276 792778211 /nfs/dbraw/zinc/77/82/11/792778211.db2.gz BZCQGVQWQLMWEQ-GHMZBOCLSA-N 1 0 342.396 -1.619 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC001118931277 792778313 /nfs/dbraw/zinc/77/83/13/792778313.db2.gz BZCQGVQWQLMWEQ-MNOVXSKESA-N 1 0 342.396 -1.619 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC001118931278 792778446 /nfs/dbraw/zinc/77/84/46/792778446.db2.gz BZCQGVQWQLMWEQ-QWRGUYRKSA-N 1 0 342.396 -1.619 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC001118931279 792778271 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001118932009 792778592 /nfs/dbraw/zinc/77/85/92/792778592.db2.gz KWKCFOAHNTUKRP-OUAUKWLOSA-N 1 0 332.426 -1.655 20 0 EAADRO COCCN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC001118932176 792778026 /nfs/dbraw/zinc/77/80/26/792778026.db2.gz MGKMDOFMZHJUMT-GHMZBOCLSA-N 1 0 333.410 -1.873 20 0 EAADRO COCCN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC001118932177 792778343 /nfs/dbraw/zinc/77/83/43/792778343.db2.gz MGKMDOFMZHJUMT-MNOVXSKESA-N 1 0 333.410 -1.873 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001118932577 792777979 /nfs/dbraw/zinc/77/79/79/792777979.db2.gz OYSBQYBDOXEECC-JTQLQIEISA-N 1 0 328.369 -2.021 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC001118932578 792778326 /nfs/dbraw/zinc/77/83/26/792778326.db2.gz OYSBQYBDOXEECC-SNVBAGLBSA-N 1 0 328.369 -2.021 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001118932637 792778424 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CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@@H](C[NH3+])C1 ZINC001118934606 792778772 /nfs/dbraw/zinc/77/87/72/792778772.db2.gz XHJOKKKTUWATBX-QWHCGFSZSA-N 1 0 337.424 -1.643 20 0 EAADRO CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)[C@@H](C[NH3+])C1 ZINC001118934607 792778233 /nfs/dbraw/zinc/77/82/33/792778233.db2.gz XHJOKKKTUWATBX-STQMWFEESA-N 1 0 337.424 -1.643 20 0 EAADRO CN1CCOC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118936802 792779405 /nfs/dbraw/zinc/77/94/05/792779405.db2.gz BFDKISVARZSZNL-GFCCVEGCSA-N 1 0 338.412 -1.170 20 0 EAADRO CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001118936803 792779951 /nfs/dbraw/zinc/77/99/51/792779951.db2.gz BFDKISVARZSZNL-LBPRGKRZSA-N 1 0 338.412 -1.170 20 0 EAADRO CN1CCOC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118937132 792779674 /nfs/dbraw/zinc/77/96/74/792779674.db2.gz PIVUZBYKUUPHRP-CYBMUJFWSA-N 1 0 338.412 -1.170 20 0 EAADRO CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118937133 792779301 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C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(OCCO)CC1 ZINC001118962140 792781285 /nfs/dbraw/zinc/78/12/85/792781285.db2.gz DWPSVYAEGROJOU-UHFFFAOYSA-N 1 0 331.413 -1.319 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC001118962361 792781483 /nfs/dbraw/zinc/78/14/83/792781483.db2.gz JUSGOVKMMVILIK-WYUUTHIRSA-N 1 0 325.365 -1.547 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC001118962472 792780531 /nfs/dbraw/zinc/78/05/31/792780531.db2.gz JUCGTKDPDKYLFZ-NEPJUHHUSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC001118962473 792781390 /nfs/dbraw/zinc/78/13/90/792781390.db2.gz JUCGTKDPDKYLFZ-NWDGAFQWSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC001118962474 792781219 /nfs/dbraw/zinc/78/12/19/792781219.db2.gz JUCGTKDPDKYLFZ-RYUDHWBXSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC001118962475 792780775 /nfs/dbraw/zinc/78/07/75/792780775.db2.gz JUCGTKDPDKYLFZ-VXGBXAGGSA-N 1 0 346.453 -1.407 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001118962510 792781463 /nfs/dbraw/zinc/78/14/63/792781463.db2.gz LEHFQMYQLWWFRH-SECBINFHSA-N 1 0 327.341 -2.817 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001118962511 792780905 /nfs/dbraw/zinc/78/09/05/792780905.db2.gz LEHFQMYQLWWFRH-VIFPVBQESA-N 1 0 327.341 -2.817 20 0 EAADRO CCON(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001118962539 792781226 /nfs/dbraw/zinc/78/12/26/792781226.db2.gz KUKOGDZKRVZZAE-UHFFFAOYSA-N 1 0 327.385 -1.434 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC001118962594 792781458 /nfs/dbraw/zinc/78/14/58/792781458.db2.gz MCVNRFQSWZBSHJ-UTUOFQBUSA-N 1 0 327.381 -1.027 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC001118962595 792781246 /nfs/dbraw/zinc/78/12/46/792781246.db2.gz MCVNRFQSWZBSHJ-WOPDTQHZSA-N 1 0 327.381 -1.027 20 0 EAADRO O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC(F)C1 ZINC001118963212 792781170 /nfs/dbraw/zinc/78/11/70/792781170.db2.gz RELSTRFKSYXUBW-UHFFFAOYSA-N 1 0 327.360 -1.664 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(CC(N)=O)CC1 ZINC001118963413 792781437 /nfs/dbraw/zinc/78/14/37/792781437.db2.gz SYNYSLJWDLGSIO-UHFFFAOYSA-N 1 0 328.413 -1.205 20 0 EAADRO CN(CC(F)F)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001118963428 792781419 /nfs/dbraw/zinc/78/14/19/792781419.db2.gz SPNIWTNEBCDEJR-UHFFFAOYSA-N 1 0 347.366 -1.121 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001118963434 792781405 /nfs/dbraw/zinc/78/14/05/792781405.db2.gz SQQZJTUXUNWHHT-LLVKDONJSA-N 1 0 335.426 -1.674 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC001118963436 792781433 /nfs/dbraw/zinc/78/14/33/792781433.db2.gz SQQZJTUXUNWHHT-NSHDSACASA-N 1 0 335.426 -1.674 20 0 EAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCCO1 ZINC001118963664 792780718 /nfs/dbraw/zinc/78/07/18/792780718.db2.gz UNZTVOGVTWEVIL-GFCCVEGCSA-N 1 0 349.395 -1.904 20 0 EAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCCO1 ZINC001118963666 792781310 /nfs/dbraw/zinc/78/13/10/792781310.db2.gz UNZTVOGVTWEVIL-LBPRGKRZSA-N 1 0 349.395 -1.904 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC[NH2+]1 ZINC001118963787 792781130 /nfs/dbraw/zinc/78/11/30/792781130.db2.gz WKTYHOXKBGFNGS-JTQLQIEISA-N 1 0 349.395 -1.639 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC[NH2+]1 ZINC001118963789 792780850 /nfs/dbraw/zinc/78/08/50/792780850.db2.gz WKTYHOXKBGFNGS-SNVBAGLBSA-N 1 0 349.395 -1.639 20 0 EAADRO CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC001118963806 792781477 /nfs/dbraw/zinc/78/14/77/792781477.db2.gz XREIVLOMBWFLJL-GFCCVEGCSA-N 1 0 343.428 -1.318 20 0 EAADRO CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC001118963807 792781103 /nfs/dbraw/zinc/78/11/03/792781103.db2.gz XREIVLOMBWFLJL-LBPRGKRZSA-N 1 0 343.428 -1.318 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001118964041 792780815 /nfs/dbraw/zinc/78/08/15/792780815.db2.gz XKRAPDYTMCZFND-QWRGUYRKSA-N 1 0 328.369 -2.464 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]2[NH3+])cn1 ZINC001118964131 792781318 /nfs/dbraw/zinc/78/13/18/792781318.db2.gz YYANSQLXKHPGCC-YVECIDJPSA-N 1 0 347.375 -1.695 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001118964148 792780739 /nfs/dbraw/zinc/78/07/39/792780739.db2.gz ZERRSROWBUNRPF-UHFFFAOYSA-N 1 0 337.380 -1.239 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001118969305 792781443 /nfs/dbraw/zinc/78/14/43/792781443.db2.gz LLVRMMNVKRXSDG-LLVKDONJSA-N 1 0 327.381 -1.467 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC001118969307 792781091 /nfs/dbraw/zinc/78/10/91/792781091.db2.gz LLVRMMNVKRXSDG-NSHDSACASA-N 1 0 327.381 -1.467 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001118969387 792781360 /nfs/dbraw/zinc/78/13/60/792781360.db2.gz RZUXHFWXRXOYMP-GHMZBOCLSA-N 1 0 325.365 -1.715 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001118969389 792781330 /nfs/dbraw/zinc/78/13/30/792781330.db2.gz RZUXHFWXRXOYMP-MNOVXSKESA-N 1 0 325.365 -1.715 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001118969391 792780888 /nfs/dbraw/zinc/78/08/88/792780888.db2.gz RZUXHFWXRXOYMP-QWRGUYRKSA-N 1 0 325.365 -1.715 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001118969392 792781050 /nfs/dbraw/zinc/78/10/50/792781050.db2.gz RZUXHFWXRXOYMP-WDEREUQCSA-N 1 0 325.365 -1.715 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC001118969945 792780596 /nfs/dbraw/zinc/78/05/96/792780596.db2.gz PRJRWYCMPAQAEJ-UHFFFAOYSA-N 1 0 327.381 -1.323 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001118970152 792781199 /nfs/dbraw/zinc/78/11/99/792781199.db2.gz WUOONGZDUSJBDU-GFCCVEGCSA-N 1 0 339.392 -1.134 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001118970155 792781156 /nfs/dbraw/zinc/78/11/56/792781156.db2.gz WUOONGZDUSJBDU-LBPRGKRZSA-N 1 0 339.392 -1.134 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC001118974456 792782905 /nfs/dbraw/zinc/78/29/05/792782905.db2.gz AEOVYCPTXJPXEW-LLVKDONJSA-N 1 0 335.426 -1.674 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC001118974457 792781915 /nfs/dbraw/zinc/78/19/15/792781915.db2.gz AEOVYCPTXJPXEW-NSHDSACASA-N 1 0 335.426 -1.674 20 0 EAADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC001118975312 792782632 /nfs/dbraw/zinc/78/26/32/792782632.db2.gz IPAYOCQLNULRBH-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC001118975313 792782570 /nfs/dbraw/zinc/78/25/70/792782570.db2.gz IPAYOCQLNULRBH-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001118975851 792782393 /nfs/dbraw/zinc/78/23/93/792782393.db2.gz TWVZVZQMJFZWGF-CYDGBPFRSA-N 1 0 336.392 -1.545 20 0 EAADRO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001118975855 792782678 /nfs/dbraw/zinc/78/26/78/792782678.db2.gz TWVZVZQMJFZWGF-RVMXOQNASA-N 1 0 336.392 -1.545 20 0 EAADRO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001118975857 792782270 /nfs/dbraw/zinc/78/22/70/792782270.db2.gz TWVZVZQMJFZWGF-VOAKCMCISA-N 1 0 336.392 -1.545 20 0 EAADRO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001118975861 792782691 /nfs/dbraw/zinc/78/26/91/792782691.db2.gz TWVZVZQMJFZWGF-XQHKEYJVSA-N 1 0 336.392 -1.545 20 0 EAADRO CS(=O)(=O)N1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001118976090 792782605 /nfs/dbraw/zinc/78/26/05/792782605.db2.gz NOOQYRVDRXFDEZ-QWRGUYRKSA-N 1 0 330.410 -1.947 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001118976511 792782590 /nfs/dbraw/zinc/78/25/90/792782590.db2.gz QOQQARWABYLUHO-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001118976512 786319582 /nfs/dbraw/zinc/31/95/82/786319582.db2.gz QOQQARWABYLUHO-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001118976516 786319313 /nfs/dbraw/zinc/31/93/13/786319313.db2.gz QOQQARWABYLUHO-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001118976518 786319690 /nfs/dbraw/zinc/31/96/90/786319690.db2.gz QOQQARWABYLUHO-WDEREUQCSA-N 1 0 332.426 -1.653 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC[NH2+]1 ZINC001118976911 792782357 /nfs/dbraw/zinc/78/23/57/792782357.db2.gz UAEZHSHTRPQSOO-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]1 ZINC001118976912 792782198 /nfs/dbraw/zinc/78/21/98/792782198.db2.gz UAEZHSHTRPQSOO-WDEREUQCSA-N 1 0 332.426 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)S1(=O)=O ZINC001118976932 792782894 /nfs/dbraw/zinc/78/28/94/792782894.db2.gz UPSDMPHCHKKACS-BKUVIOGVSA-N 1 0 329.422 -1.017 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)S1(=O)=O ZINC001118976933 792782737 /nfs/dbraw/zinc/78/27/37/792782737.db2.gz UPSDMPHCHKKACS-FIQHERPVSA-N 1 0 329.422 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)S1(=O)=O ZINC001118976934 792782377 /nfs/dbraw/zinc/78/23/77/792782377.db2.gz UPSDMPHCHKKACS-KKOKHZNYSA-N 1 0 329.422 -1.017 20 0 EAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C[C@H]2C1=O ZINC001118977249 792782170 /nfs/dbraw/zinc/78/21/70/792782170.db2.gz ZYNCPEREUBDGBT-OHUAYANFSA-N 1 0 334.376 -1.728 20 0 EAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C[C@H]2C1=O ZINC001118977250 792782761 /nfs/dbraw/zinc/78/27/61/792782761.db2.gz ZYNCPEREUBDGBT-USBNGQNGSA-N 1 0 334.376 -1.728 20 0 EAADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001118996218 792782885 /nfs/dbraw/zinc/78/28/85/792782885.db2.gz NUZMBYGZTGPOCN-PHIMTYICSA-N 1 0 330.410 -1.538 20 0 EAADRO CN(C)C(=O)NCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001118997246 792782069 /nfs/dbraw/zinc/78/20/69/792782069.db2.gz ZFYVSIXYPFHMGP-UHFFFAOYSA-N 1 0 335.474 -1.186 20 0 EAADRO COC(=O)C1=NO[C@@]2(CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C2)C1 ZINC001118999645 792782241 /nfs/dbraw/zinc/78/22/41/792782241.db2.gz AKIZEODVPWOKAJ-HNNXBMFYSA-N 1 0 340.380 -1.073 20 0 EAADRO COC(=O)C1=NO[C@]2(CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C2)C1 ZINC001118999646 792782109 /nfs/dbraw/zinc/78/21/09/792782109.db2.gz AKIZEODVPWOKAJ-OAHLLOKOSA-N 1 0 340.380 -1.073 20 0 EAADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001118999689 786320664 /nfs/dbraw/zinc/32/06/64/786320664.db2.gz BYGYBIDAVRNLHP-LLVKDONJSA-N 1 0 334.442 -1.453 20 0 EAADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001118999690 786320696 /nfs/dbraw/zinc/32/06/96/786320696.db2.gz BYGYBIDAVRNLHP-NSHDSACASA-N 1 0 334.442 -1.453 20 0 EAADRO CC1(C)CN(C(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)CC[NH2+]1 ZINC001119003450 792782021 /nfs/dbraw/zinc/78/20/21/792782021.db2.gz MIVVJUYITQGHRQ-JOCHJYFZSA-N 1 0 331.442 -1.067 20 0 EAADRO CC1(C)CN(C(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)CC[NH2+]1 ZINC001119003451 792782146 /nfs/dbraw/zinc/78/21/46/792782146.db2.gz MIVVJUYITQGHRQ-QFIPXVFZSA-N 1 0 331.442 -1.067 20 0 EAADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001119003642 792782120 /nfs/dbraw/zinc/78/21/20/792782120.db2.gz OZUSFXXEZUVOKS-NEPJUHHUSA-N 1 0 329.422 -1.299 20 0 EAADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001119003643 792782218 /nfs/dbraw/zinc/78/22/18/792782218.db2.gz OZUSFXXEZUVOKS-NWDGAFQWSA-N 1 0 329.422 -1.299 20 0 EAADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001119003644 792782302 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CN1C(=O)[C@H]2CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H]2C1=O ZINC001119144493 792787259 /nfs/dbraw/zinc/78/72/59/792787259.db2.gz GDAGEDOSCBHBGA-PHIMTYICSA-N 1 0 340.380 -2.246 20 0 EAADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C1 ZINC001119147165 792789380 /nfs/dbraw/zinc/78/93/80/792789380.db2.gz OJBFGXJAPDIUBE-GRYCIOLGSA-N 1 0 326.397 -1.454 20 0 EAADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C1 ZINC001119147166 792789206 /nfs/dbraw/zinc/78/92/06/792789206.db2.gz OJBFGXJAPDIUBE-TUAOUCFPSA-N 1 0 326.397 -1.454 20 0 EAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C[C@H]2C1=O ZINC001119154492 792788862 /nfs/dbraw/zinc/78/88/62/792788862.db2.gz ORHRGCMMYUMXAX-BKUVIOGVSA-N 1 0 336.392 -1.484 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001119169512 792789024 /nfs/dbraw/zinc/78/90/24/792789024.db2.gz XCKJVNDRRJQPHW-GHMZBOCLSA-N 1 0 325.365 -1.524 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001119169513 792788336 /nfs/dbraw/zinc/78/83/36/792788336.db2.gz XCKJVNDRRJQPHW-MNOVXSKESA-N 1 0 325.365 -1.524 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001119169514 792789352 /nfs/dbraw/zinc/78/93/52/792789352.db2.gz XCKJVNDRRJQPHW-QWRGUYRKSA-N 1 0 325.365 -1.524 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001119169515 792788177 /nfs/dbraw/zinc/78/81/77/792788177.db2.gz XCKJVNDRRJQPHW-WDEREUQCSA-N 1 0 325.365 -1.524 20 0 EAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCCNC(=O)C2)CC1 ZINC001119172314 792788650 /nfs/dbraw/zinc/78/86/50/792788650.db2.gz LTWGDULVNFCLOP-UHFFFAOYSA-N 1 0 326.397 -1.438 20 0 EAADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001119172745 792788772 /nfs/dbraw/zinc/78/87/72/792788772.db2.gz QUVZHDMUPIFNKM-SDDRHHMPSA-N 1 0 338.408 -1.094 20 0 EAADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001119172746 792788706 /nfs/dbraw/zinc/78/87/06/792788706.db2.gz QUVZHDMUPIFNKM-UTUOFQBUSA-N 1 0 338.408 -1.094 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001119180603 792788129 /nfs/dbraw/zinc/78/81/29/792788129.db2.gz DXDJEWZKNSWSQD-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001119180604 792788503 /nfs/dbraw/zinc/78/85/03/792788503.db2.gz DXDJEWZKNSWSQD-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001119181434 792788950 /nfs/dbraw/zinc/78/89/50/792788950.db2.gz QKRNWEYAXPIYJO-PHIMTYICSA-N 1 0 340.380 -2.246 20 0 EAADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCNC(=O)C1 ZINC001119183230 792788581 /nfs/dbraw/zinc/78/85/81/792788581.db2.gz AZTJRRFKYALDSN-CYBMUJFWSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCCNC(=O)C1 ZINC001119183231 792789402 /nfs/dbraw/zinc/78/94/02/792789402.db2.gz AZTJRRFKYALDSN-ZDUSSCGKSA-N 1 0 338.408 -1.296 20 0 EAADRO CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1 ZINC001119198185 792788976 /nfs/dbraw/zinc/78/89/76/792788976.db2.gz OCUQFHDEPVMOBW-FICVDOATSA-N 1 0 336.436 -1.014 20 0 EAADRO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC001119209248 792790005 /nfs/dbraw/zinc/79/00/05/792790005.db2.gz SCJKDIZFOINZPL-HNNXBMFYSA-N 1 0 345.396 -1.529 20 0 EAADRO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC001119209249 786326149 /nfs/dbraw/zinc/32/61/49/786326149.db2.gz SCJKDIZFOINZPL-OAHLLOKOSA-N 1 0 345.396 -1.529 20 0 EAADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCS(=O)(=O)NC)C1 ZINC001119212512 792790119 /nfs/dbraw/zinc/79/01/19/792790119.db2.gz WHXNMYBTTZVHNA-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCS(=O)(=O)NC)C1 ZINC001119212513 792789973 /nfs/dbraw/zinc/78/99/73/792789973.db2.gz WHXNMYBTTZVHNA-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCNC(=O)C2)CCCO1 ZINC001119214217 792789985 /nfs/dbraw/zinc/78/99/85/792789985.db2.gz HPYOBWSKZQJUNG-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCNC(=O)C2)CCCO1 ZINC001119214218 792790414 /nfs/dbraw/zinc/79/04/14/792790414.db2.gz HPYOBWSKZQJUNG-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCc2ncccn2)CC1=O ZINC001119219534 792790659 /nfs/dbraw/zinc/79/06/59/792790659.db2.gz MLQLSXBHIGZQRA-UHFFFAOYSA-N 1 0 334.380 -1.675 20 0 EAADRO CN(CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1)S(C)(=O)=O ZINC001119238030 786326219 /nfs/dbraw/zinc/32/62/19/786326219.db2.gz VVOQLQPIWZALLI-FQEVSTJZSA-N 1 0 339.483 -1.115 20 0 EAADRO CN(CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)S(C)(=O)=O ZINC001119238031 786325823 /nfs/dbraw/zinc/32/58/23/786325823.db2.gz VVOQLQPIWZALLI-HXUWFJFHSA-N 1 0 339.483 -1.115 20 0 EAADRO CNS(=O)(=O)CCCNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC001119269757 792790365 /nfs/dbraw/zinc/79/03/65/792790365.db2.gz JWCLKGAYGLXVKX-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO CNS(=O)(=O)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001119269897 792790273 /nfs/dbraw/zinc/79/02/73/792790273.db2.gz NABLFGFVXVQFID-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C[C@@H]2C1 ZINC001119290164 792791440 /nfs/dbraw/zinc/79/14/40/792791440.db2.gz QBOBTPFRZVENDR-HZSPNIEDSA-N 1 0 337.424 -1.976 20 0 EAADRO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C[C@@H]2C1 ZINC001119290165 792791640 /nfs/dbraw/zinc/79/16/40/792791640.db2.gz QBOBTPFRZVENDR-MJBXVCDLSA-N 1 0 337.424 -1.976 20 0 EAADRO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001119291765 792791914 /nfs/dbraw/zinc/79/19/14/792791914.db2.gz RNZPHSMRVQVZKS-KBPBESRZSA-N 1 0 334.424 -1.172 20 0 EAADRO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001119291766 792791044 /nfs/dbraw/zinc/79/10/44/792791044.db2.gz RNZPHSMRVQVZKS-KGLIPLIRSA-N 1 0 334.424 -1.172 20 0 EAADRO O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001119291767 792791275 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C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001119294231 792791837 /nfs/dbraw/zinc/79/18/37/792791837.db2.gz QDXOFBVJZWBDCY-PWSUYJOCSA-N 1 0 326.397 -1.393 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001119294232 792791538 /nfs/dbraw/zinc/79/15/38/792791538.db2.gz QDXOFBVJZWBDCY-ZYHUDNBSSA-N 1 0 326.397 -1.393 20 0 EAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119294468 792791023 /nfs/dbraw/zinc/79/10/23/792791023.db2.gz CHMFRFCGJYYSBZ-QWHCGFSZSA-N 1 0 341.456 -1.101 20 0 EAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119294469 792791468 /nfs/dbraw/zinc/79/14/68/792791468.db2.gz CHMFRFCGJYYSBZ-STQMWFEESA-N 1 0 341.456 -1.101 20 0 EAADRO C[C@H]([NH3+])CCNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001119294481 792791693 /nfs/dbraw/zinc/79/16/93/792791693.db2.gz CSVYLGUBWQLLNQ-JTQLQIEISA-N 1 0 334.442 -1.324 20 0 EAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119294645 792791300 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C[N@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N1CCCC1)C1CC1 ZINC001119759600 792796723 /nfs/dbraw/zinc/79/67/23/792796723.db2.gz MGGGYNFZIGNVKM-UHFFFAOYSA-N 1 0 346.453 -1.261 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001119762177 792797552 /nfs/dbraw/zinc/79/75/52/792797552.db2.gz GYGDJROIEJVAGU-GFCCVEGCSA-N 1 0 329.397 -1.098 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1 ZINC001119762178 792797635 /nfs/dbraw/zinc/79/76/35/792797635.db2.gz GYGDJROIEJVAGU-LBPRGKRZSA-N 1 0 329.397 -1.098 20 0 EAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001119763420 792797589 /nfs/dbraw/zinc/79/75/89/792797589.db2.gz UNPPJRXOMPTDOH-TXEJJXNPSA-N 1 0 347.437 -1.816 20 0 EAADRO COc1nn(C)cc1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC001119766154 792796548 /nfs/dbraw/zinc/79/65/48/792796548.db2.gz QAUHFKQLYFACPS-UHFFFAOYSA-N 1 0 327.385 -1.261 20 0 EAADRO COC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC001119768525 792797794 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EAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001119771639 792796587 /nfs/dbraw/zinc/79/65/87/792796587.db2.gz OQMCHVLEJKYTKR-GXFFZTMASA-N 1 0 332.426 -1.938 20 0 EAADRO CCO[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC)C1=O)C[NH+](C)C ZINC001119778200 792796616 /nfs/dbraw/zinc/79/66/16/792796616.db2.gz OZFQPAODVHKJEZ-NEPJUHHUSA-N 1 0 328.413 -1.194 20 0 EAADRO CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC)C1=O)C[NH+](C)C ZINC001119778201 792797580 /nfs/dbraw/zinc/79/75/80/792797580.db2.gz OZFQPAODVHKJEZ-NWDGAFQWSA-N 1 0 328.413 -1.194 20 0 EAADRO CCO[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC)C1=O)C[NH+](C)C ZINC001119778202 792797149 /nfs/dbraw/zinc/79/71/49/792797149.db2.gz OZFQPAODVHKJEZ-RYUDHWBXSA-N 1 0 328.413 -1.194 20 0 EAADRO CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC)C1=O)C[NH+](C)C ZINC001119778203 792797257 /nfs/dbraw/zinc/79/72/57/792797257.db2.gz OZFQPAODVHKJEZ-VXGBXAGGSA-N 1 0 328.413 -1.194 20 0 EAADRO CCO[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC(=O)N1)C[NH+](C)C ZINC001119793020 792798504 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CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1=O ZINC001119880506 792799813 /nfs/dbraw/zinc/79/98/13/792799813.db2.gz OCTBLNLVXIHTRA-NSHDSACASA-N 1 0 336.392 -1.053 20 0 EAADRO CCON(C)C(=O)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001119886101 792800646 /nfs/dbraw/zinc/80/06/46/792800646.db2.gz ZHOZECBVTKLHSX-XHDPSFHLSA-N 1 0 326.397 -1.077 20 0 EAADRO CO[C@@]1(CNC(=O)C(=O)N(C)CC[NH+](C)C)CCS(=O)(=O)C1 ZINC001119914799 792800080 /nfs/dbraw/zinc/80/00/80/792800080.db2.gz FMJHKZLSTPMZII-CYBMUJFWSA-N 1 0 335.426 -1.674 20 0 EAADRO CO[C@]1(CNC(=O)C(=O)N(C)CC[NH+](C)C)CCS(=O)(=O)C1 ZINC001119914800 792800507 /nfs/dbraw/zinc/80/05/07/792800507.db2.gz FMJHKZLSTPMZII-ZDUSSCGKSA-N 1 0 335.426 -1.674 20 0 EAADRO CCO[C@H](CNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1)C[NH+](C)C ZINC001119923500 792800857 /nfs/dbraw/zinc/80/08/57/792800857.db2.gz IGUFSUKKXDOEGF-NEPJUHHUSA-N 1 0 349.453 -1.285 20 0 EAADRO CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1)C[NH+](C)C ZINC001119923501 792800302 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792802498 /nfs/dbraw/zinc/80/24/98/792802498.db2.gz ZVDKLZREAXIEIO-UMSGYPCISA-N 1 0 327.381 -1.816 20 0 EAADRO CN1CCN(CC(=O)NCC(=O)N2CCCC2)CC[N@H+](C)CC1 ZINC001119957474 786424960 /nfs/dbraw/zinc/42/49/60/786424960.db2.gz SVAUGQLCERJONR-UHFFFAOYSA-N 1 0 325.457 -1.096 20 0 EAADRO C[NH+](C)C1CCN(CCNC(=O)N2CC3(C2)NC(=O)NC3=O)CC1 ZINC001119957874 792802726 /nfs/dbraw/zinc/80/27/26/792802726.db2.gz AGZDHPNNLDSWLL-UHFFFAOYSA-N 1 0 338.412 -1.384 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1(CNC(=O)Cc2nc[nH]n2)CCCCC1 ZINC001119984028 792802624 /nfs/dbraw/zinc/80/26/24/792802624.db2.gz HNKYKLFXRQKHMP-UHFFFAOYSA-N 1 0 337.384 -1.049 20 0 EAADRO NC(=O)C[NH2+]C1(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CCCCC1 ZINC001119999065 792802137 /nfs/dbraw/zinc/80/21/37/792802137.db2.gz SSATVAVZGLDMIA-UHFFFAOYSA-N 1 0 347.379 -1.075 20 0 EAADRO CN1C(=O)CN(CC(=O)NCC2([NH2+]CC(N)=O)CCCCC2)C1=O ZINC001120005410 792802707 /nfs/dbraw/zinc/80/27/07/792802707.db2.gz PXLSOHPAPONXIF-UHFFFAOYSA-N 1 0 339.396 -1.226 20 0 EAADRO 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CNS(=O)(=O)CCC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001121106865 792824858 /nfs/dbraw/zinc/82/48/58/792824858.db2.gz HBFXZZDZLGXKEI-ICYBPSJXSA-N 1 0 346.453 -1.184 20 0 EAADRO CNS(=O)(=O)CCC(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC001121106866 792825471 /nfs/dbraw/zinc/82/54/71/792825471.db2.gz HBFXZZDZLGXKEI-NJQQVTKISA-N 1 0 346.453 -1.184 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121107791 792825748 /nfs/dbraw/zinc/82/57/48/792825748.db2.gz WPKHBAULZAIOGE-UHFFFAOYSA-N 1 0 348.469 -1.266 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CCS(=O)(=O)NC)C2)C1 ZINC001121107868 792825800 /nfs/dbraw/zinc/82/58/00/792825800.db2.gz XVSPTOAYXJPGDC-UHFFFAOYSA-N 1 0 346.453 -1.311 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)Cn3ncnn3)C2)C1 ZINC001121111714 792825004 /nfs/dbraw/zinc/82/50/04/792825004.db2.gz JOCDLFIHVMRLBM-UHFFFAOYSA-N 1 0 336.356 -2.115 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CC2(CC(NC(=O)Cn3ncnn3)C2)C1 ZINC001121117471 792825113 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CCS(=O)(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121144895 792827042 /nfs/dbraw/zinc/82/70/42/792827042.db2.gz PYPCFRWHHHYBQQ-ICYBPSJXSA-N 1 0 346.453 -1.184 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121144897 792826909 /nfs/dbraw/zinc/82/69/09/792826909.db2.gz PYPCFRWHHHYBQQ-NJQQVTKISA-N 1 0 346.453 -1.184 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)NC(=O)COC)C2)C1 ZINC001121148382 792827556 /nfs/dbraw/zinc/82/75/56/792827556.db2.gz FCORXQVEKUAWNC-CUMPHSRVSA-N 1 0 340.424 -1.100 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)NC(=O)COC)C2)C1 ZINC001121148383 792826947 /nfs/dbraw/zinc/82/69/47/792826947.db2.gz FCORXQVEKUAWNC-MJMQAPBISA-N 1 0 340.424 -1.100 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001121148728 792826880 /nfs/dbraw/zinc/82/68/80/792826880.db2.gz KBFWCLTXSFOQPN-UHFFFAOYSA-N 1 0 329.422 -1.206 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121155481 792827171 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EAADRO Cn1nnc(C(=O)NC2CC3(C2)CC([NH2+]CCS(C)(=O)=O)C3)n1 ZINC001121549118 792849535 /nfs/dbraw/zinc/84/95/35/792849535.db2.gz ZFTBUGOHXXJTOZ-UHFFFAOYSA-N 1 0 342.425 -1.115 20 0 EAADRO COC(=O)c1nccc(N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)n1 ZINC001121580633 792851307 /nfs/dbraw/zinc/85/13/07/792851307.db2.gz LFKWYHQFBMAXCY-LLVKDONJSA-N 1 0 337.380 -1.330 20 0 EAADRO COC(=O)c1nccc(N[C@H](CO)CNC(=O)C[NH+]2CCCC2)n1 ZINC001121580635 792851000 /nfs/dbraw/zinc/85/10/00/792851000.db2.gz LFKWYHQFBMAXCY-NSHDSACASA-N 1 0 337.380 -1.330 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001121582774 792851269 /nfs/dbraw/zinc/85/12/69/792851269.db2.gz XLPPLMAQFLRJRM-JTQLQIEISA-N 1 0 334.384 -1.257 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001121582777 792851711 /nfs/dbraw/zinc/85/17/11/792851711.db2.gz XLPPLMAQFLRJRM-SNVBAGLBSA-N 1 0 334.384 -1.257 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001121588824 792852112 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ZINC001121591742 792852059 /nfs/dbraw/zinc/85/20/59/792852059.db2.gz VQFWQBHERKQTTF-WDEREUQCSA-N 1 0 337.380 -1.474 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001121647544 792857799 /nfs/dbraw/zinc/85/77/99/792857799.db2.gz XBIQURKOWSABOY-UHFFFAOYSA-N 1 0 348.363 -1.405 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001121653164 792859321 /nfs/dbraw/zinc/85/93/21/792859321.db2.gz AKKRPTCFJNSCAM-DGVZPSOQSA-N 1 0 344.437 -1.271 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001121653165 792858704 /nfs/dbraw/zinc/85/87/04/792858704.db2.gz AKKRPTCFJNSCAM-FHDAHWDNSA-N 1 0 344.437 -1.271 20 0 EAADRO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1)NC1CC1 ZINC001121653210 792858886 /nfs/dbraw/zinc/85/88/86/792858886.db2.gz CHKZJXRSTMOAQK-FUQGYSAHSA-N 1 0 335.408 -1.037 20 0 EAADRO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1)NC1CC1 ZINC001121653211 792859351 /nfs/dbraw/zinc/85/93/51/792859351.db2.gz 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COC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001121653795 792858652 /nfs/dbraw/zinc/85/86/52/792858652.db2.gz KJEVVUNOWHEZFP-ZQUIDFRUSA-N 1 0 326.397 -1.308 20 0 EAADRO O=C(NC1CC2(C1)CC([NH2+]CCOCCO)C2)[C@H]1CNC(=O)N1 ZINC001121654669 792858222 /nfs/dbraw/zinc/85/82/22/792858222.db2.gz YBNSBFFTYZNZCL-VDZFAJSBSA-N 1 0 326.397 -1.306 20 0 EAADRO O=C(NC1CC2(C1)CC([NH2+]CCOCCO)C2)[C@@H]1CNC(=O)N1 ZINC001121654705 792858478 /nfs/dbraw/zinc/85/84/78/792858478.db2.gz YBNSBFFTYZNZCL-WAQQSHLVSA-N 1 0 326.397 -1.306 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C ZINC001121658523 792860153 /nfs/dbraw/zinc/86/01/53/792860153.db2.gz JZVJDASLNAVMBW-JTQLQIEISA-N 1 0 336.400 -1.011 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C ZINC001121658530 792860381 /nfs/dbraw/zinc/86/03/81/792860381.db2.gz JZVJDASLNAVMBW-SNVBAGLBSA-N 1 0 336.400 -1.011 20 0 EAADRO CC[NH+](CC)CC(=O)NC[C@H](CO)Nc1ccnc(C(=O)OC)n1 ZINC001121660685 792860855 /nfs/dbraw/zinc/86/08/55/792860855.db2.gz 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ZINC001121663143 792860118 /nfs/dbraw/zinc/86/01/18/792860118.db2.gz JDZYCMMEKVHTIZ-UHFFFAOYSA-N 1 0 326.397 -1.359 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121663554 792860236 /nfs/dbraw/zinc/86/02/36/792860236.db2.gz NOZQBKWKLBJUOZ-UHFFFAOYSA-N 1 0 346.453 -1.182 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121663852 792860195 /nfs/dbraw/zinc/86/01/95/792860195.db2.gz RUMSWRIPSKPYSC-UHFFFAOYSA-N 1 0 325.369 -1.666 20 0 EAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)Nc1nncs1)C2 ZINC001121663969 792859892 /nfs/dbraw/zinc/85/98/92/792859892.db2.gz VRLBNSHCHRECSS-UHFFFAOYSA-N 1 0 338.393 -1.021 20 0 EAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(=O)NC1CC1)C2 ZINC001121664047 792859675 /nfs/dbraw/zinc/85/96/75/792859675.db2.gz YIDPAWMSKOYTGC-UHFFFAOYSA-N 1 0 337.380 -1.523 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121664057 792859724 /nfs/dbraw/zinc/85/97/24/792859724.db2.gz YNLBWWSGDQFRLH-UHFFFAOYSA-N 1 0 339.396 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ZINC001121667347 792860217 /nfs/dbraw/zinc/86/02/17/792860217.db2.gz FNUDPZVRTZVLDK-UNQVCFILSA-N 1 0 343.424 -1.099 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121667348 792860707 /nfs/dbraw/zinc/86/07/07/792860707.db2.gz FNUDPZVRTZVLDK-YRUJJLIZSA-N 1 0 343.424 -1.099 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121667463 792860810 /nfs/dbraw/zinc/86/08/10/792860810.db2.gz IILYOCWNZHSCDZ-KIQDJALLSA-N 1 0 325.369 -1.667 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121667465 792860740 /nfs/dbraw/zinc/86/07/40/792860740.db2.gz IILYOCWNZHSCDZ-PRXWXRQYSA-N 1 0 325.369 -1.667 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CCCS(N)(=O)=O)C2)C1 ZINC001121667832 792860649 /nfs/dbraw/zinc/86/06/49/792860649.db2.gz JRGKWUFUVUDVHW-UHFFFAOYSA-N 1 0 346.453 -1.182 20 0 EAADRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001121667913 792859790 /nfs/dbraw/zinc/85/97/90/792859790.db2.gz MLHCWANAYJTUAH-UHFFFAOYSA-N 1 0 333.396 -1.007 20 0 EAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]CCCN1C(=O)CNC1=O)C2 ZINC001121668278 792861258 /nfs/dbraw/zinc/86/12/58/792861258.db2.gz RSMLVGVXRCVPIK-UHFFFAOYSA-N 1 0 337.380 -1.569 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121668281 792861639 /nfs/dbraw/zinc/86/16/39/792861639.db2.gz RSWYUZDAHIZFMN-UHFFFAOYSA-N 1 0 346.453 -1.230 20 0 EAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]C[C@H](O)CN1CCCC1=O)C2 ZINC001121668512 792861599 /nfs/dbraw/zinc/86/15/99/792861599.db2.gz SSFOTJAZJZNMDD-VDOARHDCSA-N 1 0 338.408 -1.528 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121668594 792861819 /nfs/dbraw/zinc/86/18/19/792861819.db2.gz WNNDRSJMIYZMTI-VDZFAJSBSA-N 1 0 329.397 -1.487 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121668605 792861592 /nfs/dbraw/zinc/86/15/92/792861592.db2.gz WNNDRSJMIYZMTI-WAQQSHLVSA-N 1 0 329.397 -1.487 20 0 EAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC[C@H]1CCOC1)C2 ZINC001121668736 792861760 /nfs/dbraw/zinc/86/17/60/792861760.db2.gz YJJFJLNJQNRMGK-CUMPHSRVSA-N 1 0 338.408 -1.359 20 0 EAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC[C@@H]1CCOC1)C2 ZINC001121668738 792861677 /nfs/dbraw/zinc/86/16/77/792861677.db2.gz YJJFJLNJQNRMGK-MJMQAPBISA-N 1 0 338.408 -1.359 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121668744 792862181 /nfs/dbraw/zinc/86/21/81/792862181.db2.gz YOYVMUPPFVLVJH-UHFFFAOYSA-N 1 0 332.426 -1.572 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)CCCS(N)(=O)=O)C2)C1 ZINC001121668772 792860528 /nfs/dbraw/zinc/86/05/28/792860528.db2.gz ZJUINCUDCSVRSZ-UHFFFAOYSA-N 1 0 332.426 -1.443 20 0 EAADRO COC(=O)c1nccc(N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001121669246 792861948 /nfs/dbraw/zinc/86/19/48/792861948.db2.gz OIWYEAHPHFCGSD-LLVKDONJSA-N 1 0 339.396 -1.086 20 0 EAADRO COC(=O)c1nccc(N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001121669247 792861990 /nfs/dbraw/zinc/86/19/90/792861990.db2.gz OIWYEAHPHFCGSD-NSHDSACASA-N 1 0 339.396 -1.086 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C ZINC001121669248 792861909 /nfs/dbraw/zinc/86/19/09/792861909.db2.gz OKQBCCYXFLBJTQ-JTQLQIEISA-N 1 0 336.400 -1.013 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C ZINC001121669249 792862045 /nfs/dbraw/zinc/86/20/45/792862045.db2.gz OKQBCCYXFLBJTQ-SNVBAGLBSA-N 1 0 336.400 -1.013 20 0 EAADRO NC(=O)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC1CCOCC1)C2 ZINC001121674687 792861572 /nfs/dbraw/zinc/86/15/72/792861572.db2.gz QHOPDLCDOCFZSD-UHFFFAOYSA-N 1 0 338.408 -1.216 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121674863 792861204 /nfs/dbraw/zinc/86/12/04/792861204.db2.gz SLOWQJHJTYPWDZ-ANFPFRTDSA-N 1 0 339.396 -1.277 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121674865 792861321 /nfs/dbraw/zinc/86/13/21/792861321.db2.gz SLOWQJHJTYPWDZ-DGWTXQKHSA-N 1 0 339.396 -1.277 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121675345 792862088 /nfs/dbraw/zinc/86/20/88/792862088.db2.gz WZGHPNCDPSAEEU-UHFFFAOYSA-N 1 0 326.397 -1.359 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)C4(C(N)=O)CC4)C3)C2)nc1=O ZINC001121681337 792862715 /nfs/dbraw/zinc/86/27/15/792862715.db2.gz IUZPALQDLXONFZ-UHFFFAOYSA-N 1 0 348.407 -1.109 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001121682041 792863470 /nfs/dbraw/zinc/86/34/70/792863470.db2.gz YPZPKJILUXQONS-UHFFFAOYSA-N 1 0 337.380 -1.536 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)CC1 ZINC001121717962 792863633 /nfs/dbraw/zinc/86/36/33/792863633.db2.gz KLQBSLBDCPWOEY-LLVKDONJSA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)CC1 ZINC001121717964 792863068 /nfs/dbraw/zinc/86/30/68/792863068.db2.gz KLQBSLBDCPWOEY-NSHDSACASA-N 1 0 334.384 -1.250 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001121718326 792863219 /nfs/dbraw/zinc/86/32/19/792863219.db2.gz NNEUEWKSJBLYHT-LLVKDONJSA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001121718327 792863658 /nfs/dbraw/zinc/86/36/58/792863658.db2.gz NNEUEWKSJBLYHT-NSHDSACASA-N 1 0 348.411 -1.011 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@H](CO)Nc2nccn3nnnc23)CC1 ZINC001121718929 792863592 /nfs/dbraw/zinc/86/35/92/792863592.db2.gz UDGSCLQCZUEULN-LLVKDONJSA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2nccn3nnnc23)CC1 ZINC001121718930 792862833 /nfs/dbraw/zinc/86/28/33/792862833.db2.gz UDGSCLQCZUEULN-NSHDSACASA-N 1 0 334.384 -1.250 20 0 EAADRO COC[C@@H](OC)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001121727433 792864165 /nfs/dbraw/zinc/86/41/65/792864165.db2.gz CXVSSXSJOKHRJT-AIXFRAIASA-N 1 0 342.396 -1.140 20 0 EAADRO COC[C@H](OC)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001121727434 792864140 /nfs/dbraw/zinc/86/41/40/792864140.db2.gz CXVSSXSJOKHRJT-RUIJOYPPSA-N 1 0 342.396 -1.140 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001121767843 792867735 /nfs/dbraw/zinc/86/77/35/792867735.db2.gz NVORSXDHTKHVHQ-KCMPGRPTSA-N 1 0 338.408 -1.218 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001121773338 792869515 /nfs/dbraw/zinc/86/95/15/792869515.db2.gz OZPTYAWNMJQKCI-IFVCKJSBSA-N 1 0 337.380 -1.680 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)Nc2nccn3nnnc23)C1 ZINC001121805563 792869002 /nfs/dbraw/zinc/86/90/02/792869002.db2.gz CWCDJFFZJVYZOH-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)Nc2nccn3nnnc23)C1 ZINC001121805564 792869552 /nfs/dbraw/zinc/86/95/52/792869552.db2.gz CWCDJFFZJVYZOH-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2nccn3nnnc23)C1 ZINC001121805565 792869274 /nfs/dbraw/zinc/86/92/74/792869274.db2.gz CWCDJFFZJVYZOH-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)Nc2nccn3nnnc23)C1 ZINC001121805566 792869593 /nfs/dbraw/zinc/86/95/93/792869593.db2.gz CWCDJFFZJVYZOH-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO O=C(NC[C@@H](CO)Nc1ccc2nnnn2n1)C12CC[NH+](CC1)C2 ZINC001121805581 792868989 /nfs/dbraw/zinc/86/89/89/792868989.db2.gz DAJPGRYSQXXUNK-JTQLQIEISA-N 1 0 332.368 -1.496 20 0 EAADRO O=C(NC[C@H](CO)Nc1ccc2nnnn2n1)C12CC[NH+](CC1)C2 ZINC001121805582 792869703 /nfs/dbraw/zinc/86/97/03/792869703.db2.gz DAJPGRYSQXXUNK-SNVBAGLBSA-N 1 0 332.368 -1.496 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](CO)Nc1ncnc2nc[nH]c21 ZINC001121805859 792869170 /nfs/dbraw/zinc/86/91/70/792869170.db2.gz FKRQPXDKMHHFJF-JTQLQIEISA-N 1 0 337.384 -1.180 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](CO)Nc1ncnc2nc[nH]c21 ZINC001121805860 792869633 /nfs/dbraw/zinc/86/96/33/792869633.db2.gz FKRQPXDKMHHFJF-SNVBAGLBSA-N 1 0 337.384 -1.180 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001121806185 792868377 /nfs/dbraw/zinc/86/83/77/792868377.db2.gz IOEZDTXNEKELCV-JTQLQIEISA-N 1 0 346.395 -1.257 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001121806186 792868661 /nfs/dbraw/zinc/86/86/61/792868661.db2.gz IOEZDTXNEKELCV-SNVBAGLBSA-N 1 0 346.395 -1.257 20 0 EAADRO COC(=O)c1nccc(N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001121806196 792869036 /nfs/dbraw/zinc/86/90/36/792869036.db2.gz IRUJPEPAKCJMPY-LLVKDONJSA-N 1 0 349.391 -1.330 20 0 EAADRO COC(=O)c1nccc(N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001121806198 792868804 /nfs/dbraw/zinc/86/88/04/792868804.db2.gz IRUJPEPAKCJMPY-NSHDSACASA-N 1 0 349.391 -1.330 20 0 EAADRO O=C(NC[C@@H](CO)Nc1nccn2nnnc12)C12CC[NH+](CC1)C2 ZINC001121806439 792868368 /nfs/dbraw/zinc/86/83/68/792868368.db2.gz LPYAYHUPWNQYMO-JTQLQIEISA-N 1 0 332.368 -1.496 20 0 EAADRO O=C(NC[C@H](CO)Nc1nccn2nnnc12)C12CC[NH+](CC1)C2 ZINC001121806441 792868617 /nfs/dbraw/zinc/86/86/17/792868617.db2.gz LPYAYHUPWNQYMO-SNVBAGLBSA-N 1 0 332.368 -1.496 20 0 EAADRO COc1ccnc(N[C@@H](CO)CNC(=O)COCC[NH+](C)C)n1 ZINC001121806755 792869305 /nfs/dbraw/zinc/86/93/05/792869305.db2.gz NVQMXVRQXQEQAM-LLVKDONJSA-N 1 0 327.385 -1.048 20 0 EAADRO COc1ccnc(N[C@H](CO)CNC(=O)COCC[NH+](C)C)n1 ZINC001121806756 792868598 /nfs/dbraw/zinc/86/85/98/792868598.db2.gz NVQMXVRQXQEQAM-NSHDSACASA-N 1 0 327.385 -1.048 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](CO)Nc1ccc2nccnc2n1 ZINC001121807028 792868645 /nfs/dbraw/zinc/86/86/45/792868645.db2.gz QFRGGENJHGTBRX-GFCCVEGCSA-N 1 0 348.407 -1.135 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](CO)Nc1ccc2nccnc2n1 ZINC001121807030 792869264 /nfs/dbraw/zinc/86/92/64/792869264.db2.gz QFRGGENJHGTBRX-LBPRGKRZSA-N 1 0 348.407 -1.135 20 0 EAADRO Cc1cc(N[C@@H](CO)CNC(=O)COCC[NH+](C)C)nc(CO)n1 ZINC001121807274 792869456 /nfs/dbraw/zinc/86/94/56/792869456.db2.gz QPVDJVJCROIIKA-GFCCVEGCSA-N 1 0 341.412 -1.255 20 0 EAADRO Cc1cc(N[C@H](CO)CNC(=O)COCC[NH+](C)C)nc(CO)n1 ZINC001121807275 792868437 /nfs/dbraw/zinc/86/84/37/792868437.db2.gz QPVDJVJCROIIKA-LBPRGKRZSA-N 1 0 341.412 -1.255 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001121807591 792869435 /nfs/dbraw/zinc/86/94/35/792869435.db2.gz VZYIKYZOPFWQBJ-GHMZBOCLSA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001121807592 792869381 /nfs/dbraw/zinc/86/93/81/792869381.db2.gz VZYIKYZOPFWQBJ-MNOVXSKESA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001121807593 792868747 /nfs/dbraw/zinc/86/87/47/792868747.db2.gz VZYIKYZOPFWQBJ-QWRGUYRKSA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001121807594 792868623 /nfs/dbraw/zinc/86/86/23/792868623.db2.gz VZYIKYZOPFWQBJ-WDEREUQCSA-N 1 0 348.411 -1.011 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001121807639 792869146 /nfs/dbraw/zinc/86/91/46/792869146.db2.gz XFVBQQWPZFQQGF-JTQLQIEISA-N 1 0 338.372 -2.014 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001121807640 792868403 /nfs/dbraw/zinc/86/84/03/792868403.db2.gz XFVBQQWPZFQQGF-SNVBAGLBSA-N 1 0 338.372 -2.014 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121807759 792869695 /nfs/dbraw/zinc/86/96/95/792869695.db2.gz XUXUBUDVNFWNFO-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121807761 792868388 /nfs/dbraw/zinc/86/83/88/792868388.db2.gz XUXUBUDVNFWNFO-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121807763 792868550 /nfs/dbraw/zinc/86/85/50/792868550.db2.gz XUXUBUDVNFWNFO-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121807764 792868897 /nfs/dbraw/zinc/86/88/97/792868897.db2.gz XUXUBUDVNFWNFO-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001121807823 792869688 /nfs/dbraw/zinc/86/96/88/792869688.db2.gz YSWHQTSWYLZYIR-JTQLQIEISA-N 1 0 338.372 -2.014 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001121807824 792868501 /nfs/dbraw/zinc/86/85/01/792868501.db2.gz YSWHQTSWYLZYIR-SNVBAGLBSA-N 1 0 338.372 -2.014 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)CCc3cn[nH]n3)C2)C1 ZINC001121811406 792868335 /nfs/dbraw/zinc/86/83/35/792868335.db2.gz OHKDHGWQPBOFSA-UHFFFAOYSA-N 1 0 349.395 -1.051 20 0 EAADRO CC[C@H](C(=O)NC[C@H](CO)Nc1ccnc(C(=O)OC)n1)[NH+](C)C ZINC001121811726 792868926 /nfs/dbraw/zinc/86/89/26/792868926.db2.gz FNNUDUIASFVJFL-GHMZBOCLSA-N 1 0 339.396 -1.086 20 0 EAADRO CC[C@@H](C(=O)NC[C@H](CO)Nc1ccnc(C(=O)OC)n1)[NH+](C)C ZINC001121811727 792869047 /nfs/dbraw/zinc/86/90/47/792869047.db2.gz FNNUDUIASFVJFL-MNOVXSKESA-N 1 0 339.396 -1.086 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)OC)n1)[NH+](C)C ZINC001121811729 792870767 /nfs/dbraw/zinc/87/07/67/792870767.db2.gz FNNUDUIASFVJFL-QWRGUYRKSA-N 1 0 339.396 -1.086 20 0 EAADRO CC[C@H](C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)OC)n1)[NH+](C)C ZINC001121811731 792870376 /nfs/dbraw/zinc/87/03/76/792870376.db2.gz FNNUDUIASFVJFL-WDEREUQCSA-N 1 0 339.396 -1.086 20 0 EAADRO CC[C@H](C(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C)[NH+](C)C ZINC001121813138 792870627 /nfs/dbraw/zinc/87/06/27/792870627.db2.gz SFTJHQRNRDUGTH-NXEZZACHSA-N 1 0 336.400 -1.013 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C)[NH+](C)C ZINC001121813139 792870610 /nfs/dbraw/zinc/87/06/10/792870610.db2.gz SFTJHQRNRDUGTH-UWVGGRQHSA-N 1 0 336.400 -1.013 20 0 EAADRO CC[C@H](C(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C)[NH+](C)C ZINC001121813140 792870319 /nfs/dbraw/zinc/87/03/19/792870319.db2.gz SFTJHQRNRDUGTH-VHSXEESVSA-N 1 0 336.400 -1.013 20 0 EAADRO CC[C@@H](C(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C)[NH+](C)C ZINC001121813141 792870721 /nfs/dbraw/zinc/87/07/21/792870721.db2.gz SFTJHQRNRDUGTH-ZJUUUORDSA-N 1 0 336.400 -1.013 20 0 EAADRO O=C(NCCCN1CCCC1=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121816374 792870824 /nfs/dbraw/zinc/87/08/24/792870824.db2.gz BAUIWWPLHBVLHQ-FZMZJTMJSA-N 1 0 329.422 -1.251 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)NS(C)(=O)=O)C2)C1 ZINC001121829386 792870920 /nfs/dbraw/zinc/87/09/20/792870920.db2.gz SOVTVPOZEMJMDP-ICYBPSJXSA-N 1 0 346.453 -1.313 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)NS(C)(=O)=O)C2)C1 ZINC001121829388 792871188 /nfs/dbraw/zinc/87/11/88/792871188.db2.gz SOVTVPOZEMJMDP-NJQQVTKISA-N 1 0 346.453 -1.313 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121829502 792870905 /nfs/dbraw/zinc/87/09/05/792870905.db2.gz VLBDVNSCWDLICZ-BHYMURIGSA-N 1 0 332.426 -1.574 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121829504 792870271 /nfs/dbraw/zinc/87/02/71/792870271.db2.gz VLBDVNSCWDLICZ-PACJVSNHSA-N 1 0 332.426 -1.574 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC001121829590 792870033 /nfs/dbraw/zinc/87/00/33/792870033.db2.gz WVTAIKRMLDBBDP-BGCLMWDDSA-N 1 0 346.453 -1.185 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001121829593 792870805 /nfs/dbraw/zinc/87/08/05/792870805.db2.gz WVTAIKRMLDBBDP-HBSWBYDYSA-N 1 0 346.453 -1.185 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001121829595 792870846 /nfs/dbraw/zinc/87/08/46/792870846.db2.gz WVTAIKRMLDBBDP-HNDVASDZSA-N 1 0 346.453 -1.185 20 0 EAADRO C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H](C)NS(C)(=O)=O)C2)C1)C(N)=O ZINC001121829667 792870367 /nfs/dbraw/zinc/87/03/67/792870367.db2.gz WVTAIKRMLDBBDP-UXDVTJBJSA-N 1 0 346.453 -1.185 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001121835303 792872634 /nfs/dbraw/zinc/87/26/34/792872634.db2.gz KSFHYPZCIMTBOZ-SNQWKEORSA-N 1 0 337.380 -1.653 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1)[NH+](C)C ZINC001121838566 792871943 /nfs/dbraw/zinc/87/19/43/792871943.db2.gz IZBFGBMYNGGLDY-GWCFXTLKSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1)[NH+](C)C ZINC001121838569 792871988 /nfs/dbraw/zinc/87/19/88/792871988.db2.gz IZBFGBMYNGGLDY-GXFFZTMASA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1)[NH+](C)C ZINC001121838571 792871894 /nfs/dbraw/zinc/87/18/94/792871894.db2.gz IZBFGBMYNGGLDY-MFKMUULPSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1)[NH+](C)C ZINC001121838572 792871693 /nfs/dbraw/zinc/87/16/93/792871693.db2.gz IZBFGBMYNGGLDY-ZWNOBZJWSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@H](CO)Nc1nccn2nnnc12)[NH+](C)C ZINC001121839543 792872575 /nfs/dbraw/zinc/87/25/75/792872575.db2.gz MTBVKUPGKLRZTQ-GHMZBOCLSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1nccn2nnnc12)[NH+](C)C ZINC001121839545 792871885 /nfs/dbraw/zinc/87/18/85/792871885.db2.gz MTBVKUPGKLRZTQ-MNOVXSKESA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H](CO)Nc1nccn2nnnc12)[NH+](C)C ZINC001121839548 792871720 /nfs/dbraw/zinc/87/17/20/792871720.db2.gz MTBVKUPGKLRZTQ-QWRGUYRKSA-N 1 0 336.400 -1.006 20 0 EAADRO CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1nccn2nnnc12)[NH+](C)C ZINC001121839551 792871956 /nfs/dbraw/zinc/87/19/56/792871956.db2.gz MTBVKUPGKLRZTQ-WDEREUQCSA-N 1 0 336.400 -1.006 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121841799 792872473 /nfs/dbraw/zinc/87/24/73/792872473.db2.gz NERXTKMIEKLNCO-UHFFFAOYSA-N 1 0 334.442 -1.608 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121841829 792871542 /nfs/dbraw/zinc/87/15/42/792871542.db2.gz OQMUYMLNUDYWKU-UHFFFAOYSA-N 1 0 347.441 -2.115 20 0 EAADRO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001121841830 792872299 /nfs/dbraw/zinc/87/22/99/792872299.db2.gz OTDHDGORLOCSOO-YAJDGLSUSA-N 1 0 348.469 -1.220 20 0 EAADRO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001121841831 792872114 /nfs/dbraw/zinc/87/21/14/792872114.db2.gz OTDHDGORLOCSOO-ZZIMEFBRSA-N 1 0 348.469 -1.220 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001121841895 792872362 /nfs/dbraw/zinc/87/23/62/792872362.db2.gz SAOLNNLRKQBCSI-UHFFFAOYSA-N 1 0 348.469 -1.218 20 0 EAADRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001121849124 792871503 /nfs/dbraw/zinc/87/15/03/792871503.db2.gz WYORGYRVMYMYMN-CHWSQXEVSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001121849126 792872808 /nfs/dbraw/zinc/87/28/08/792872808.db2.gz WYORGYRVMYMYMN-OLZOCXBDSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001121849128 792872759 /nfs/dbraw/zinc/87/27/59/792872759.db2.gz WYORGYRVMYMYMN-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001121849130 792872770 /nfs/dbraw/zinc/87/27/70/792872770.db2.gz WYORGYRVMYMYMN-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO O=C(NC[C@H](CO)Nc1nccn2nnnc12)[C@@]12CC[N@H+](C1)CCC2 ZINC001121855097 792872937 /nfs/dbraw/zinc/87/29/37/792872937.db2.gz SMMMKRFVYUPWCD-ABAIWWIYSA-N 1 0 346.395 -1.106 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)O)C2)C(N)=O ZINC001121872603 792873732 /nfs/dbraw/zinc/87/37/32/792873732.db2.gz DTHDOIZTWTYNIS-CGRBPGPKSA-N 1 0 340.424 -1.236 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)O)C2)C(N)=O ZINC001121872609 792873687 /nfs/dbraw/zinc/87/36/87/792873687.db2.gz DTHDOIZTWTYNIS-XPKMOTRXSA-N 1 0 340.424 -1.236 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2)C(N)=O ZINC001121873141 792873426 /nfs/dbraw/zinc/87/34/26/792873426.db2.gz LSNOWRKKFNXRJV-WAQQSHLVSA-N 1 0 326.397 -1.624 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)C(N)=O ZINC001121873342 792874150 /nfs/dbraw/zinc/87/41/50/792874150.db2.gz OAFMGBCMXQVFJU-RUIJOYPPSA-N 1 0 339.396 -2.131 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC2(C1)CC([NH2+]CCCO)C2)C(N)=O ZINC001121874023 792873761 /nfs/dbraw/zinc/87/37/61/792873761.db2.gz ZNKUQHTYMCAKMM-KSISSFPLSA-N 1 0 340.424 -1.234 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121879747 792876404 /nfs/dbraw/zinc/87/64/04/792876404.db2.gz XYQQECBPLUFGAA-UHFFFAOYSA-N 1 0 346.453 -1.184 20 0 EAADRO CN(C)C(=O)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001121884920 792878875 /nfs/dbraw/zinc/87/88/75/792878875.db2.gz PDKRVHYCZGJBJJ-UHFFFAOYSA-N 1 0 339.396 -1.323 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C ZINC001121886899 792878612 /nfs/dbraw/zinc/87/86/12/792878612.db2.gz AHWOBVHXVRGMOI-JTQLQIEISA-N 1 0 336.400 -1.011 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C ZINC001121886900 792878232 /nfs/dbraw/zinc/87/82/32/792878232.db2.gz AHWOBVHXVRGMOI-SNVBAGLBSA-N 1 0 336.400 -1.011 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Nc1ccnc(C(=O)OC)n1 ZINC001121888856 792878277 /nfs/dbraw/zinc/87/82/77/792878277.db2.gz XPSFZIJRIQSTRH-LLVKDONJSA-N 1 0 339.396 -1.084 20 0 EAADRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Nc1ccnc(C(=O)OC)n1 ZINC001121888858 792877567 /nfs/dbraw/zinc/87/75/67/792877567.db2.gz XPSFZIJRIQSTRH-NSHDSACASA-N 1 0 339.396 -1.084 20 0 EAADRO CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CC(=O)N(C4C[NH2+]C4)C3)CCN2C1=O ZINC001121897278 792878823 /nfs/dbraw/zinc/87/88/23/792878823.db2.gz UQLKMTYSUCZNFT-CMPLNLGQSA-N 1 0 349.391 -1.698 20 0 EAADRO CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C4C[NH2+]C4)C3)CCN2C1=O ZINC001121897280 792878884 /nfs/dbraw/zinc/87/88/84/792878884.db2.gz UQLKMTYSUCZNFT-JQWIXIFHSA-N 1 0 349.391 -1.698 20 0 EAADRO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)CCN2C1=O ZINC001121897282 792878069 /nfs/dbraw/zinc/87/80/69/792878069.db2.gz UQLKMTYSUCZNFT-PWSUYJOCSA-N 1 0 349.391 -1.698 20 0 EAADRO CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)CCN2C1=O ZINC001121897284 792877644 /nfs/dbraw/zinc/87/76/44/792877644.db2.gz UQLKMTYSUCZNFT-ZYHUDNBSSA-N 1 0 349.391 -1.698 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)c3cnn(C)n3)C2)C1 ZINC001121901428 792878498 /nfs/dbraw/zinc/87/84/98/792878498.db2.gz 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O=C(CCn1cc[nH]c(=O)c1=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121918752 792878112 /nfs/dbraw/zinc/87/81/12/792878112.db2.gz DWFBJHRUYKDRTP-UHFFFAOYSA-N 1 0 336.392 -1.064 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001121919035 792877685 /nfs/dbraw/zinc/87/76/85/792877685.db2.gz OJCVBKYUXDGDLP-UHFFFAOYSA-N 1 0 349.391 -1.571 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001121919687 792877878 /nfs/dbraw/zinc/87/78/78/792877878.db2.gz ZPYBLGZBGBMCSI-UHFFFAOYSA-N 1 0 337.380 -1.699 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CC2(CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC001121923741 792880049 /nfs/dbraw/zinc/88/00/49/792880049.db2.gz ATWGLYSQTFDBMF-UHFFFAOYSA-N 1 0 342.425 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC001121924395 792880198 /nfs/dbraw/zinc/88/01/98/792880198.db2.gz YLTVTCHDUAQKRZ-UHFFFAOYSA-N 1 0 335.368 -1.109 20 0 EAADRO CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121925241 792879751 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/nfs/dbraw/zinc/89/17/51/792891751.db2.gz GENPVMUNLVQPNK-UHFFFAOYSA-N 1 0 335.368 -1.510 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001122151032 792891622 /nfs/dbraw/zinc/89/16/22/792891622.db2.gz LHEIZVPXPLYNDD-UHFFFAOYSA-N 1 0 337.380 -1.699 20 0 EAADRO C[C@@H]([NH2+]C1CC2(CC(NC(=O)Cn3cncn3)C2)C1)C(=O)NC(N)=O ZINC001122151842 792891936 /nfs/dbraw/zinc/89/19/36/792891936.db2.gz YJZUDJXOGPIIQI-RURBXUPXSA-N 1 0 349.395 -1.122 20 0 EAADRO C[C@H]([NH2+]C1CC2(CC(NC(=O)Cn3cncn3)C2)C1)C(=O)NC(N)=O ZINC001122151844 792891319 /nfs/dbraw/zinc/89/13/19/792891319.db2.gz YJZUDJXOGPIIQI-YMPWGHJTSA-N 1 0 349.395 -1.122 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001122153142 792892280 /nfs/dbraw/zinc/89/22/80/792892280.db2.gz OOFFRLPPIYMXGZ-CMPLNLGQSA-N 1 0 348.411 -1.013 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001122153144 792892150 /nfs/dbraw/zinc/89/21/50/792892150.db2.gz OOFFRLPPIYMXGZ-JQWIXIFHSA-N 1 0 348.411 -1.013 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001122153145 792891700 /nfs/dbraw/zinc/89/17/00/792891700.db2.gz OOFFRLPPIYMXGZ-PWSUYJOCSA-N 1 0 348.411 -1.013 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001122153146 792891731 /nfs/dbraw/zinc/89/17/31/792891731.db2.gz OOFFRLPPIYMXGZ-ZYHUDNBSSA-N 1 0 348.411 -1.013 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@H](CO)Nc1nccn2nnnc12)C1CC1 ZINC001122154015 792891822 /nfs/dbraw/zinc/89/18/22/792891822.db2.gz TWTQKUINCXDJAB-GHMZBOCLSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@H](CO)Nc1nccn2nnnc12)C1CC1 ZINC001122154016 792891776 /nfs/dbraw/zinc/89/17/76/792891776.db2.gz TWTQKUINCXDJAB-MNOVXSKESA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@H](CO)Nc1nccn2nnnc12)C1CC1 ZINC001122154017 792890959 /nfs/dbraw/zinc/89/09/59/792890959.db2.gz TWTQKUINCXDJAB-QWRGUYRKSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@H](CO)Nc1nccn2nnnc12)C1CC1 ZINC001122154018 792892085 /nfs/dbraw/zinc/89/20/85/792892085.db2.gz TWTQKUINCXDJAB-WDEREUQCSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1)C1CC1 ZINC001122154464 792892026 /nfs/dbraw/zinc/89/20/26/792892026.db2.gz YGGOYFFSBFMCTL-GWCFXTLKSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1)C1CC1 ZINC001122154465 792891909 /nfs/dbraw/zinc/89/19/09/792891909.db2.gz YGGOYFFSBFMCTL-GXFFZTMASA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@H](C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1)C1CC1 ZINC001122154466 792891547 /nfs/dbraw/zinc/89/15/47/792891547.db2.gz YGGOYFFSBFMCTL-MFKMUULPSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH+](C)[C@@H](C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1)C1CC1 ZINC001122154468 792891864 /nfs/dbraw/zinc/89/18/64/792891864.db2.gz YGGOYFFSBFMCTL-ZWNOBZJWSA-N 1 0 334.384 -1.252 20 0 EAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC001122155292 792892239 /nfs/dbraw/zinc/89/22/39/792892239.db2.gz FOIFMQXCPGXFOB-AWEZNQCLSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC001122155293 792891272 /nfs/dbraw/zinc/89/12/72/792891272.db2.gz FOIFMQXCPGXFOB-CQSZACIVSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)c3nccnc3C(N)=O)C2)C1 ZINC001122156392 792891666 /nfs/dbraw/zinc/89/16/66/792891666.db2.gz JSLMZUNQTPBRQP-UHFFFAOYSA-N 1 0 346.391 -1.048 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001122156610 792891284 /nfs/dbraw/zinc/89/12/84/792891284.db2.gz LXCWIXWZZXESRG-UHFFFAOYSA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)Cn3cncn3)C2)C1 ZINC001122156942 792891713 /nfs/dbraw/zinc/89/17/13/792891713.db2.gz SNWGMESFKOGORN-UHFFFAOYSA-N 1 0 349.395 -1.249 20 0 EAADRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001122161323 792893234 /nfs/dbraw/zinc/89/32/34/792893234.db2.gz BGAWVXLHPYUTOI-UHFFFAOYSA-N 1 0 336.400 -1.215 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001122162554 792892751 /nfs/dbraw/zinc/89/27/51/792892751.db2.gz RWBMAYAHZAIWRB-IYNHVWPESA-N 1 0 337.380 -1.523 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001122162555 792892912 /nfs/dbraw/zinc/89/29/12/792892912.db2.gz RWBMAYAHZAIWRB-SNQWKEORSA-N 1 0 337.380 -1.523 20 0 EAADRO NC(=O)NCCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001122162621 792893455 /nfs/dbraw/zinc/89/34/55/792893455.db2.gz UUQQRUOJCALBDH-UHFFFAOYSA-N 1 0 340.384 -1.743 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001122171432 792893577 /nfs/dbraw/zinc/89/35/77/792893577.db2.gz FKMFMLZAALEXFC-UHFFFAOYSA-N 1 0 349.391 -1.138 20 0 EAADRO Cn1cc(/C=C\C(=O)N2CCC[C@@H]([NH2+]CCO)C2)c(=O)n(C)c1=O ZINC001122172656 792893887 /nfs/dbraw/zinc/89/38/87/792893887.db2.gz DKRAUFLQGXRAJA-CFHLNLSMSA-N 1 0 336.392 -1.330 20 0 EAADRO Cn1cc(/C=C/C(=O)N2CCC[C@H]([NH2+]CCO)C2)c(=O)n(C)c1=O ZINC001122172657 792893610 /nfs/dbraw/zinc/89/36/10/792893610.db2.gz DKRAUFLQGXRAJA-GFUIURDCSA-N 1 0 336.392 -1.330 20 0 EAADRO Cn1cc(/C=C\C(=O)N2CCC[C@H]([NH2+]CCO)C2)c(=O)n(C)c1=O ZINC001122172658 792893183 /nfs/dbraw/zinc/89/31/83/792893183.db2.gz DKRAUFLQGXRAJA-SZZPACECSA-N 1 0 336.392 -1.330 20 0 EAADRO Cn1cc(/C=C/C(=O)N2CCC[C@@H]([NH2+]CCO)C2)c(=O)n(C)c1=O ZINC001122172659 792893064 /nfs/dbraw/zinc/89/30/64/792893064.db2.gz DKRAUFLQGXRAJA-URWSZGRFSA-N 1 0 336.392 -1.330 20 0 EAADRO COC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1=O ZINC001122173585 792893025 /nfs/dbraw/zinc/89/30/25/792893025.db2.gz KJUGTYYIRWKATQ-CHWSQXEVSA-N 1 0 341.408 -1.029 20 0 EAADRO COC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1=O ZINC001122173586 792893722 /nfs/dbraw/zinc/89/37/22/792893722.db2.gz KJUGTYYIRWKATQ-OLZOCXBDSA-N 1 0 341.408 -1.029 20 0 EAADRO COC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1=O ZINC001122173588 792892622 /nfs/dbraw/zinc/89/26/22/792892622.db2.gz KJUGTYYIRWKATQ-QWHCGFSZSA-N 1 0 341.408 -1.029 20 0 EAADRO COC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1=O ZINC001122173590 792892938 /nfs/dbraw/zinc/89/29/38/792892938.db2.gz KJUGTYYIRWKATQ-STQMWFEESA-N 1 0 341.408 -1.029 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)CCC1 ZINC001122189966 792894578 /nfs/dbraw/zinc/89/45/78/792894578.db2.gz KVTFHBCXEQFIID-JTQLQIEISA-N 1 0 334.384 -1.107 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)CCC1 ZINC001122189967 792895230 /nfs/dbraw/zinc/89/52/30/792895230.db2.gz KVTFHBCXEQFIID-SNVBAGLBSA-N 1 0 334.384 -1.107 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)Nc2nccn3nnnc23)CCC1 ZINC001122190216 792895177 /nfs/dbraw/zinc/89/51/77/792895177.db2.gz NTVVHGGCKFHFPY-JTQLQIEISA-N 1 0 334.384 -1.107 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H](CO)Nc2nccn3nnnc23)CCC1 ZINC001122190217 792894821 /nfs/dbraw/zinc/89/48/21/792894821.db2.gz NTVVHGGCKFHFPY-SNVBAGLBSA-N 1 0 334.384 -1.107 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001122193229 792895360 /nfs/dbraw/zinc/89/53/60/792895360.db2.gz WPLUANDQKVHNBM-DGVZPSOQSA-N 1 0 344.437 -1.559 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001122193231 792894546 /nfs/dbraw/zinc/89/45/46/792894546.db2.gz WPLUANDQKVHNBM-FHDAHWDNSA-N 1 0 344.437 -1.559 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCCCCN2CC[NH2+]CC2)c1=O ZINC001122196051 792895207 /nfs/dbraw/zinc/89/52/07/792895207.db2.gz UAHGEJVLFRMFGJ-UHFFFAOYSA-N 1 0 337.424 -1.261 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC001122202660 792894620 /nfs/dbraw/zinc/89/46/20/792894620.db2.gz BRUUORQFMDHDGT-DGVZPSOQSA-N 1 0 344.437 -1.559 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC001122202661 792894749 /nfs/dbraw/zinc/89/47/49/792894749.db2.gz BRUUORQFMDHDGT-FHDAHWDNSA-N 1 0 344.437 -1.559 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)N(C)C)C2 ZINC001122202688 792895349 /nfs/dbraw/zinc/89/53/49/792895349.db2.gz DWWBZFKPFCHYAY-UHFFFAOYSA-N 1 0 346.453 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](O)COC)C2 ZINC001122202695 792895268 /nfs/dbraw/zinc/89/52/68/792895268.db2.gz FOJVIPBCMAJAHZ-QBQCOZBMSA-N 1 0 349.453 -1.440 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](O)COC)C2 ZINC001122202696 792894534 /nfs/dbraw/zinc/89/45/34/792894534.db2.gz FOJVIPBCMAJAHZ-VPTICVGPSA-N 1 0 349.453 -1.440 20 0 EAADRO CC[C@H]([NH2+]C1CC2(CC(NC(=O)CS(=O)(=O)NC)C2)C1)C(N)=O ZINC001122202712 792895306 /nfs/dbraw/zinc/89/53/06/792895306.db2.gz FVIWRHPEUCPFDH-DGVZPSOQSA-N 1 0 346.453 -1.184 20 0 EAADRO CC[C@@H]([NH2+]C1CC2(CC(NC(=O)CS(=O)(=O)NC)C2)C1)C(N)=O ZINC001122202713 792894338 /nfs/dbraw/zinc/89/43/38/792894338.db2.gz FVIWRHPEUCPFDH-FHDAHWDNSA-N 1 0 346.453 -1.184 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC001122202731 792895299 /nfs/dbraw/zinc/89/52/99/792895299.db2.gz IBWVUMCYWGFMTO-BHYMURIGSA-N 1 0 332.426 -1.574 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001122202732 792894483 /nfs/dbraw/zinc/89/44/83/792894483.db2.gz IBWVUMCYWGFMTO-PACJVSNHSA-N 1 0 332.426 -1.574 20 0 EAADRO CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)CS(=O)(=O)NC)C2)C1 ZINC001122202854 792894296 /nfs/dbraw/zinc/89/42/96/792894296.db2.gz KDUHKWALICBTIN-UHFFFAOYSA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CS(=O)(=O)NC)C2)C1 ZINC001122202881 792894729 /nfs/dbraw/zinc/89/47/29/792894729.db2.gz LSOBCNHDBRIMPX-UHFFFAOYSA-N 1 0 332.426 -1.701 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CC2(C1)CC([NH2+]CCOCCO)C2 ZINC001122203214 792894329 /nfs/dbraw/zinc/89/43/29/792894329.db2.gz TWRCTNLRTVSLGA-UHFFFAOYSA-N 1 0 349.453 -1.439 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)CS(=O)(=O)NC)C2)C1 ZINC001122203397 792894215 /nfs/dbraw/zinc/89/42/15/792894215.db2.gz VZGOMUPIRDUECV-ICYBPSJXSA-N 1 0 346.453 -1.313 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CS(=O)(=O)NC)C2)C1 ZINC001122203398 792894282 /nfs/dbraw/zinc/89/42/82/792894282.db2.gz VZGOMUPIRDUECV-NJQQVTKISA-N 1 0 346.453 -1.313 20 0 EAADRO Cn1c(C(=O)N2CCNCC[NH2+]CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC001122204456 792894931 /nfs/dbraw/zinc/89/49/31/792894931.db2.gz GCEXTHUXQAKOFY-UHFFFAOYSA-N 1 0 348.407 -1.789 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122226231 792897037 /nfs/dbraw/zinc/89/70/37/792897037.db2.gz JEQAUZLHGUFMJK-UHFFFAOYSA-N 1 0 346.453 -1.230 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001122237187 792897148 /nfs/dbraw/zinc/89/71/48/792897148.db2.gz APTWKUPBPDNUNS-UHFFFAOYSA-N 1 0 336.396 -1.596 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC2CC3(C2)CC([NH2+]CCCO)C3)nn1 ZINC001122237811 792896961 /nfs/dbraw/zinc/89/69/61/792896961.db2.gz PFMLBYGFOIQOMV-UHFFFAOYSA-N 1 0 336.396 -1.224 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001122237835 792897896 /nfs/dbraw/zinc/89/78/96/792897896.db2.gz QJORCLCGRISAMV-UHFFFAOYSA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)CNC(=O)Cn3cncn3)C2)C1 ZINC001122238010 792897134 /nfs/dbraw/zinc/89/71/34/792897134.db2.gz ZOAIANKRENNPRB-UHFFFAOYSA-N 1 0 349.395 -2.103 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001122287463 792902764 /nfs/dbraw/zinc/90/27/64/792902764.db2.gz BOELBADJYSPGSN-CYBMUJFWSA-N 1 0 325.413 -1.865 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001122287464 792902850 /nfs/dbraw/zinc/90/28/50/792902850.db2.gz BOELBADJYSPGSN-ZDUSSCGKSA-N 1 0 325.413 -1.865 20 0 EAADRO O=C(CNS(=O)(=O)c1ccccc1)N1CCNCC[NH2+]CC1 ZINC001122287469 792903626 /nfs/dbraw/zinc/90/36/26/792903626.db2.gz BSFPQNGODFVWDD-UHFFFAOYSA-N 1 0 326.422 -1.014 20 0 EAADRO O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCNCC[NH2+]CC1 ZINC001122288163 792903174 /nfs/dbraw/zinc/90/31/74/792903174.db2.gz FVWUFSIMRQALSN-CABCVRRESA-N 1 0 326.441 -1.112 20 0 EAADRO NC(=O)CCCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001122299584 792903440 /nfs/dbraw/zinc/90/34/40/792903440.db2.gz YZEJIOZXXMRCDE-UHFFFAOYSA-N 1 0 339.396 -1.146 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001122310024 792904098 /nfs/dbraw/zinc/90/40/98/792904098.db2.gz FLYQMDZIKZXEGE-QVVZTSRFSA-N 1 0 336.392 -1.198 20 0 EAADRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001122310025 792904593 /nfs/dbraw/zinc/90/45/93/792904593.db2.gz FLYQMDZIKZXEGE-RDWFRGEBSA-N 1 0 336.392 -1.198 20 0 EAADRO O=C(NCCOC1CCOCC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122322150 792904579 /nfs/dbraw/zinc/90/45/79/792904579.db2.gz HCOIJUSEJSTQBT-FZMZJTMJSA-N 1 0 332.422 -1.068 20 0 EAADRO COCC(=O)NCC[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001122322378 792903983 /nfs/dbraw/zinc/90/39/83/792903983.db2.gz BVBQBJQHSIDLID-UHFFFAOYSA-N 1 0 344.393 -1.375 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)COC)cn1 ZINC001122323329 792903905 /nfs/dbraw/zinc/90/39/05/792903905.db2.gz NYYATDNNGXTVCQ-UHFFFAOYSA-N 1 0 326.357 -2.080 20 0 EAADRO CNC(=O)[C@@H](NC(=O)C[NH2+]CCNC(=O)COC)c1ccccc1 ZINC001122324075 792904601 /nfs/dbraw/zinc/90/46/01/792904601.db2.gz XAILTEOAHKZFSQ-HNNXBMFYSA-N 1 0 336.392 -1.058 20 0 EAADRO CNC(=O)[C@H](NC(=O)C[NH2+]CCNC(=O)COC)c1ccccc1 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COCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC001122337517 792905949 /nfs/dbraw/zinc/90/59/49/792905949.db2.gz OFMCYHKEROUTBI-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO COCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001122337526 792905898 /nfs/dbraw/zinc/90/58/98/792905898.db2.gz OTHWUZSZLCCIAO-GHMZBOCLSA-N 1 0 335.426 -1.627 20 0 EAADRO COCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001122337527 792906120 /nfs/dbraw/zinc/90/61/20/792906120.db2.gz OTHWUZSZLCCIAO-MNOVXSKESA-N 1 0 335.426 -1.627 20 0 EAADRO COCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001122337528 792905880 /nfs/dbraw/zinc/90/58/80/792905880.db2.gz OTHWUZSZLCCIAO-QWRGUYRKSA-N 1 0 335.426 -1.627 20 0 EAADRO COCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001122337529 792906193 /nfs/dbraw/zinc/90/61/93/792906193.db2.gz OTHWUZSZLCCIAO-WDEREUQCSA-N 1 0 335.426 -1.627 20 0 EAADRO COCC(=O)NCC[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001122337743 792905654 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COCCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC001122393073 792910102 /nfs/dbraw/zinc/91/01/02/792910102.db2.gz CBIHQHCDMYTNMK-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC001122393074 792910482 /nfs/dbraw/zinc/91/04/82/792910482.db2.gz CBIHQHCDMYTNMK-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)CCOC)cn1 ZINC001122394052 792910442 /nfs/dbraw/zinc/91/04/42/792910442.db2.gz PLKFAITWTJOWFQ-UHFFFAOYSA-N 1 0 340.384 -1.690 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)NC1CCN(C(C)=O)CC1 ZINC001122394130 792910569 /nfs/dbraw/zinc/91/05/69/792910569.db2.gz RXRIFFLSEITNCC-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001122394733 792910525 /nfs/dbraw/zinc/91/05/25/792910525.db2.gz ZEYNTGGDUVKGJO-LLVKDONJSA-N 1 0 335.426 -1.720 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001122394736 786012134 /nfs/dbraw/zinc/01/21/34/786012134.db2.gz 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ZINC001122408920 792910863 /nfs/dbraw/zinc/91/08/63/792910863.db2.gz AVUHXUHHCVOWQP-NEPJUHHUSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001122408921 792910068 /nfs/dbraw/zinc/91/00/68/792910068.db2.gz AVUHXUHHCVOWQP-NWDGAFQWSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001122408922 792910625 /nfs/dbraw/zinc/91/06/25/792910625.db2.gz AVUHXUHHCVOWQP-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCC(=O)NCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001122408923 792910671 /nfs/dbraw/zinc/91/06/71/792910671.db2.gz AVUHXUHHCVOWQP-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001122409754 786012824 /nfs/dbraw/zinc/01/28/24/786012824.db2.gz SKPFQTDTLQHZSG-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001122409757 786012592 /nfs/dbraw/zinc/01/25/92/786012592.db2.gz SKPFQTDTLQHZSG-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)NCCCN1CCCC1=O ZINC001122416547 792912013 /nfs/dbraw/zinc/91/20/13/792912013.db2.gz FREBVFOWJFXGRO-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO COC(=O)c1nccc(N[C@@H](CO)CNC(=O)CCC[NH+](C)C)n1 ZINC001122416969 792911546 /nfs/dbraw/zinc/91/15/46/792911546.db2.gz QWNNZZFWRLBEPP-LLVKDONJSA-N 1 0 339.396 -1.084 20 0 EAADRO COC(=O)c1nccc(N[C@H](CO)CNC(=O)CCC[NH+](C)C)n1 ZINC001122416970 792912255 /nfs/dbraw/zinc/91/22/55/792912255.db2.gz QWNNZZFWRLBEPP-NSHDSACASA-N 1 0 339.396 -1.084 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001122417059 792912307 /nfs/dbraw/zinc/91/23/07/792912307.db2.gz NMQFTWGCFZXJSV-LLVKDONJSA-N 1 0 335.426 -1.626 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001122417060 792911994 /nfs/dbraw/zinc/91/19/94/792911994.db2.gz NMQFTWGCFZXJSV-NSHDSACASA-N 1 0 335.426 -1.626 20 0 EAADRO COCCC(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001122417083 786013610 /nfs/dbraw/zinc/01/36/10/786013610.db2.gz ODVWSZMGPRVYEE-UHFFFAOYSA-N 1 0 333.414 -1.559 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)CCC[NH+](C)C ZINC001122417407 792912281 /nfs/dbraw/zinc/91/22/81/792912281.db2.gz XEQVLGCVLHZQAJ-JTQLQIEISA-N 1 0 336.400 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)CCC[NH+](C)C ZINC001122417408 792911392 /nfs/dbraw/zinc/91/13/92/792911392.db2.gz XEQVLGCVLHZQAJ-SNVBAGLBSA-N 1 0 336.400 -1.011 20 0 EAADRO COCCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001122417589 792912365 /nfs/dbraw/zinc/91/23/65/792912365.db2.gz UIUYTMXJKKYNNM-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO COCCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001122417590 792912169 /nfs/dbraw/zinc/91/21/69/792912169.db2.gz UIUYTMXJKKYNNM-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO COCCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001122417592 792912350 /nfs/dbraw/zinc/91/23/50/792912350.db2.gz UIUYTMXJKKYNNM-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO COCCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001122417594 792912333 /nfs/dbraw/zinc/91/23/33/792912333.db2.gz UIUYTMXJKKYNNM-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO COCCC(=O)NCC[NH2+][C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001122417871 792911336 /nfs/dbraw/zinc/91/13/36/792911336.db2.gz VWHNTGDGIIWRAO-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001122417872 792911866 /nfs/dbraw/zinc/91/18/66/792911866.db2.gz VWHNTGDGIIWRAO-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO COCCC(=O)NCC[NH2+][C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001122417912 792911685 /nfs/dbraw/zinc/91/16/85/792911685.db2.gz WVIYUVHYAUOVSO-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO COCCC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001122417913 792912090 /nfs/dbraw/zinc/91/20/90/792912090.db2.gz WVIYUVHYAUOVSO-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)CCOC ZINC001122418168 792911818 /nfs/dbraw/zinc/91/18/18/792911818.db2.gz YNAMULJPJDEJMP-UHFFFAOYSA-N 1 0 325.431 -1.315 20 0 EAADRO COCCC(=O)NCC[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001122418187 792912057 /nfs/dbraw/zinc/91/20/57/792912057.db2.gz ZHKCAKMJASPYHZ-UHFFFAOYSA-N 1 0 340.424 -1.191 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(F)F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001122423518 792912113 /nfs/dbraw/zinc/91/21/13/792912113.db2.gz FMKQNXXYWCRJGB-BDAKNGLRSA-N 1 0 341.380 -1.009 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(F)F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001122423520 792911654 /nfs/dbraw/zinc/91/16/54/792911654.db2.gz FMKQNXXYWCRJGB-DTWKUNHWSA-N 1 0 341.380 -1.009 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(F)F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001122423522 792912033 /nfs/dbraw/zinc/91/20/33/792912033.db2.gz FMKQNXXYWCRJGB-IUCAKERBSA-N 1 0 341.380 -1.009 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(F)F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001122423524 792912137 /nfs/dbraw/zinc/91/21/37/792912137.db2.gz FMKQNXXYWCRJGB-RKDXNWHRSA-N 1 0 341.380 -1.009 20 0 EAADRO CS(=O)(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C(F)F)CC1 ZINC001122423525 792911945 /nfs/dbraw/zinc/91/19/45/792911945.db2.gz FMZCRZMKKYHACT-UHFFFAOYSA-N 1 0 342.368 -1.939 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001122424080 786013754 /nfs/dbraw/zinc/01/37/54/786013754.db2.gz IZKIRAZZCBGAGI-MRVPVSSYSA-N 1 0 327.353 -1.397 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001122424083 786013202 /nfs/dbraw/zinc/01/32/02/786013202.db2.gz IZKIRAZZCBGAGI-QMMMGPOBSA-N 1 0 327.353 -1.397 20 0 EAADRO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)C(F)F)cn1 ZINC001122425051 786013839 /nfs/dbraw/zinc/01/38/39/786013839.db2.gz RFOOKLXUBPYVKQ-UHFFFAOYSA-N 1 0 325.341 -1.331 20 0 EAADRO CS(=O)(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001122449913 786013950 /nfs/dbraw/zinc/01/39/50/786013950.db2.gz SUAHJEHQQLSVRU-UHFFFAOYSA-N 1 0 332.426 -1.794 20 0 EAADRO O=C(NCC[NH2+]CCNC(=O)[C@H]1CSCN1)[C@@H]1CSCN1 ZINC001122453355 792914328 /nfs/dbraw/zinc/91/43/28/792914328.db2.gz ZSIHYASTRVYWPP-AOOOYVTPSA-N 1 0 333.483 -1.867 20 0 EAADRO O=C(NCC[NH2+]CCNC(=O)[C@H]1CSCN1)[C@H]1CSCN1 ZINC001122453358 792915001 /nfs/dbraw/zinc/91/50/01/792915001.db2.gz ZSIHYASTRVYWPP-NXEZZACHSA-N 1 0 333.483 -1.867 20 0 EAADRO O=C(NCC[NH2+]CCNC(=O)[C@@H]1CSCN1)[C@@H]1CSCN1 ZINC001122453359 792914509 /nfs/dbraw/zinc/91/45/09/792914509.db2.gz ZSIHYASTRVYWPP-UWVGGRQHSA-N 1 0 333.483 -1.867 20 0 EAADRO CS(=O)(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C2CCC2)CC1 ZINC001122470413 792914134 /nfs/dbraw/zinc/91/41/34/792914134.db2.gz SNFAGJLRMMZZKX-UHFFFAOYSA-N 1 0 346.453 -1.404 20 0 EAADRO COCCCS(=O)(=O)NCC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122476387 792914083 /nfs/dbraw/zinc/91/40/83/792914083.db2.gz YELNBODMDRECIT-UHFFFAOYSA-N 1 0 349.453 -1.078 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)C2CCOCC2)CC1 ZINC001122503221 792916257 /nfs/dbraw/zinc/91/62/57/792916257.db2.gz MAJPDQFTXBOYLQ-UHFFFAOYSA-N 1 0 340.424 -1.157 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C2CCOCC2)C1 ZINC001122503541 792916283 /nfs/dbraw/zinc/91/62/83/792916283.db2.gz RBSGNCPLHDERAZ-CYBMUJFWSA-N 1 0 340.424 -1.157 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C2CCOCC2)C1 ZINC001122503542 792915861 /nfs/dbraw/zinc/91/58/61/792915861.db2.gz RBSGNCPLHDERAZ-ZDUSSCGKSA-N 1 0 340.424 -1.157 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CCOCC1 ZINC001122503739 792916469 /nfs/dbraw/zinc/91/64/69/792916469.db2.gz VIHCJKDLJCVLCU-GFCCVEGCSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CCOCC1 ZINC001122503740 792916523 /nfs/dbraw/zinc/91/65/23/792916523.db2.gz VIHCJKDLJCVLCU-LBPRGKRZSA-N 1 0 327.381 -1.371 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C2CCOCC2)CC1 ZINC001122503772 792915883 /nfs/dbraw/zinc/91/58/83/792915883.db2.gz WNZOIIBGMYMMJT-UHFFFAOYSA-N 1 0 340.424 -1.191 20 0 EAADRO Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001122508415 792915632 /nfs/dbraw/zinc/91/56/32/792915632.db2.gz MZNWZUAIUUIXCJ-JTQLQIEISA-N 1 0 348.411 -1.011 20 0 EAADRO Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001122508417 792916084 /nfs/dbraw/zinc/91/60/84/792916084.db2.gz MZNWZUAIUUIXCJ-SNVBAGLBSA-N 1 0 348.411 -1.011 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H](CO)Nc2nccn3nnnc23)CC1 ZINC001122508980 792915590 /nfs/dbraw/zinc/91/55/90/792915590.db2.gz VMPNPXZNFPEQSO-JTQLQIEISA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H](CO)Nc2nccn3nnnc23)CC1 ZINC001122508981 792915508 /nfs/dbraw/zinc/91/55/08/792915508.db2.gz VMPNPXZNFPEQSO-SNVBAGLBSA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)CC1 ZINC001122509008 792915756 /nfs/dbraw/zinc/91/57/56/792915756.db2.gz WAXQBQXQLUVGNF-JTQLQIEISA-N 1 0 334.384 -1.250 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)CC1 ZINC001122509009 792916312 /nfs/dbraw/zinc/91/63/12/792916312.db2.gz WAXQBQXQLUVGNF-SNVBAGLBSA-N 1 0 334.384 -1.250 20 0 EAADRO CC(C)(F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001122510133 786014155 /nfs/dbraw/zinc/01/41/55/786014155.db2.gz IEDBGWRSYXFWGL-JTQLQIEISA-N 1 0 337.417 -1.009 20 0 EAADRO CC(C)(F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001122510134 786014233 /nfs/dbraw/zinc/01/42/33/786014233.db2.gz IEDBGWRSYXFWGL-SNVBAGLBSA-N 1 0 337.417 -1.009 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C1CCOCC1)C(=O)N(C)C ZINC001122510336 792916495 /nfs/dbraw/zinc/91/64/95/792916495.db2.gz MLMWTLYRUVAJTE-LLVKDONJSA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C1CCOCC1)C(=O)N(C)C ZINC001122510337 792916445 /nfs/dbraw/zinc/91/64/45/792916445.db2.gz MLMWTLYRUVAJTE-NSHDSACASA-N 1 0 328.413 -1.288 20 0 EAADRO CC(F)(F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001122517060 786013735 /nfs/dbraw/zinc/01/37/35/786013735.db2.gz MQTZQFYQKJVOJB-SECBINFHSA-N 1 0 341.380 -1.102 20 0 EAADRO CC(F)(F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001122517061 786013460 /nfs/dbraw/zinc/01/34/60/786013460.db2.gz MQTZQFYQKJVOJB-VIFPVBQESA-N 1 0 341.380 -1.102 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)C(C)(F)F)cn1 ZINC001122523699 792917740 /nfs/dbraw/zinc/91/77/40/792917740.db2.gz VLUSLHGVXAXQGA-UHFFFAOYSA-N 1 0 346.338 -1.071 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2ncnc3c2nnn3C)C1 ZINC001122526422 792917217 /nfs/dbraw/zinc/91/72/17/792917217.db2.gz KCUCNKSCQZPNEB-GHMZBOCLSA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2ncnc3c2nnn3C)C1 ZINC001122526424 792917620 /nfs/dbraw/zinc/91/76/20/792917620.db2.gz KCUCNKSCQZPNEB-MNOVXSKESA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2ncnc3c2nnn3C)C1 ZINC001122526426 792917352 /nfs/dbraw/zinc/91/73/52/792917352.db2.gz KCUCNKSCQZPNEB-QWRGUYRKSA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2ncnc3c2nnn3C)C1 ZINC001122526428 792917190 /nfs/dbraw/zinc/91/71/90/792917190.db2.gz KCUCNKSCQZPNEB-WDEREUQCSA-N 1 0 348.411 -1.011 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001122527619 792917078 /nfs/dbraw/zinc/91/70/78/792917078.db2.gz QPHINVBHJTZLSL-GHMZBOCLSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001122527620 792917902 /nfs/dbraw/zinc/91/79/02/792917902.db2.gz QPHINVBHJTZLSL-MNOVXSKESA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001122527621 792917667 /nfs/dbraw/zinc/91/76/67/792917667.db2.gz QPHINVBHJTZLSL-QWRGUYRKSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001122527622 792917529 /nfs/dbraw/zinc/91/75/29/792917529.db2.gz QPHINVBHJTZLSL-WDEREUQCSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2nccn3nnnc23)C1 ZINC001122528199 792917877 /nfs/dbraw/zinc/91/78/77/792917877.db2.gz UEAARKCJBZKOAE-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2nccn3nnnc23)C1 ZINC001122528201 792916905 /nfs/dbraw/zinc/91/69/05/792916905.db2.gz UEAARKCJBZKOAE-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2nccn3nnnc23)C1 ZINC001122528203 792917120 /nfs/dbraw/zinc/91/71/20/792917120.db2.gz UEAARKCJBZKOAE-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2nccn3nnnc23)C1 ZINC001122528205 792917457 /nfs/dbraw/zinc/91/74/57/792917457.db2.gz UEAARKCJBZKOAE-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001122528628 792917383 /nfs/dbraw/zinc/91/73/83/792917383.db2.gz WDAPAGXTXYLPRJ-GHMZBOCLSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001122528631 792916851 /nfs/dbraw/zinc/91/68/51/792916851.db2.gz WDAPAGXTXYLPRJ-MNOVXSKESA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001122528634 792916836 /nfs/dbraw/zinc/91/68/36/792916836.db2.gz WDAPAGXTXYLPRJ-QWRGUYRKSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001122528637 792916805 /nfs/dbraw/zinc/91/68/05/792916805.db2.gz WDAPAGXTXYLPRJ-WDEREUQCSA-N 1 0 334.384 -1.250 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001122528981 792917648 /nfs/dbraw/zinc/91/76/48/792917648.db2.gz XNYZKOBUIXPZID-GHMZBOCLSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001122528982 792917003 /nfs/dbraw/zinc/91/70/03/792917003.db2.gz XNYZKOBUIXPZID-MNOVXSKESA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001122528983 792917479 /nfs/dbraw/zinc/91/74/79/792917479.db2.gz XNYZKOBUIXPZID-QWRGUYRKSA-N 1 0 334.384 -1.107 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001122528984 792917798 /nfs/dbraw/zinc/91/77/98/792917798.db2.gz XNYZKOBUIXPZID-WDEREUQCSA-N 1 0 334.384 -1.107 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1CCOCC1)NCC(=O)N1CCCC1 ZINC001122532068 792916750 /nfs/dbraw/zinc/91/67/50/792916750.db2.gz KKSPNUJPNAOICL-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C1CCOCC1 ZINC001122532270 792917299 /nfs/dbraw/zinc/91/72/99/792917299.db2.gz NBYXZMRVNIDYNU-LLVKDONJSA-N 1 0 344.412 -1.021 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C1CCOCC1 ZINC001122532271 792917846 /nfs/dbraw/zinc/91/78/46/792917846.db2.gz NBYXZMRVNIDYNU-NSHDSACASA-N 1 0 344.412 -1.021 20 0 EAADRO COC(=O)c1nccc(N[C@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001122541865 792917320 /nfs/dbraw/zinc/91/73/20/792917320.db2.gz BCOMQFZUJBNGBY-JTQLQIEISA-N 1 0 325.369 -1.474 20 0 EAADRO COC(=O)c1nccc(N[C@@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001122541866 792917951 /nfs/dbraw/zinc/91/79/51/792917951.db2.gz BCOMQFZUJBNGBY-SNVBAGLBSA-N 1 0 325.369 -1.474 20 0 EAADRO Cn1ncc2c1nc(N[C@@H](CO)CNC(=O)CC[NH+](C)C)[nH]c2=O ZINC001122544476 792918865 /nfs/dbraw/zinc/91/88/65/792918865.db2.gz SXIPDQNGMHEIGK-SECBINFHSA-N 1 0 337.384 -1.090 20 0 EAADRO Cn1ncc2c1nc(N[C@H](CO)CNC(=O)CC[NH+](C)C)[nH]c2=O ZINC001122544478 792919067 /nfs/dbraw/zinc/91/90/67/792919067.db2.gz 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CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2cnccn2)CC1 ZINC001122840970 792937255 /nfs/dbraw/zinc/93/72/55/792937255.db2.gz YTFDNQOVHMAQNS-UHFFFAOYSA-N 1 0 348.407 -1.219 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cnccn2)C1 ZINC001122840997 792937551 /nfs/dbraw/zinc/93/75/51/792937551.db2.gz ZELIYKXCAQBFMT-LLVKDONJSA-N 1 0 334.380 -1.480 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cnccn2)C1 ZINC001122840998 792937407 /nfs/dbraw/zinc/93/74/07/792937407.db2.gz ZELIYKXCAQBFMT-NSHDSACASA-N 1 0 334.380 -1.480 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001122860326 792940575 /nfs/dbraw/zinc/94/05/75/792940575.db2.gz FRDOLQBTXSCGIC-GHMZBOCLSA-N 1 0 334.384 -1.107 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001122860327 792940462 /nfs/dbraw/zinc/94/04/62/792940462.db2.gz FRDOLQBTXSCGIC-WDEREUQCSA-N 1 0 334.384 -1.107 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001122860911 792940961 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Cc1cnc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)cn1 ZINC001122947471 792943405 /nfs/dbraw/zinc/94/34/05/792943405.db2.gz WVXLYAZYTTVADD-LLVKDONJSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1cnc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)cn1 ZINC001122947472 792943478 /nfs/dbraw/zinc/94/34/78/792943478.db2.gz WVXLYAZYTTVADD-NSHDSACASA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1cnc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)cn1 ZINC001122947565 792943540 /nfs/dbraw/zinc/94/35/40/792943540.db2.gz ZKOSVIGLALSAKB-UHFFFAOYSA-N 1 0 348.407 -1.157 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC001122965071 792944098 /nfs/dbraw/zinc/94/40/98/792944098.db2.gz CJEPUFYKGHDONJ-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC001122965072 792944167 /nfs/dbraw/zinc/94/41/67/792944167.db2.gz CJEPUFYKGHDONJ-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)NC1CCN(C(C)=O)CC1 ZINC001122966696 792943178 /nfs/dbraw/zinc/94/31/78/792943178.db2.gz VFHOPGLOYMQAQA-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001122966886 786021074 /nfs/dbraw/zinc/02/10/74/786021074.db2.gz WRNIAFHFRUSGHJ-LLVKDONJSA-N 1 0 335.426 -1.720 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001122966887 786021628 /nfs/dbraw/zinc/02/16/28/786021628.db2.gz WRNIAFHFRUSGHJ-NSHDSACASA-N 1 0 335.426 -1.720 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)Nc1cnn(CC(=O)NC)c1 ZINC001122973218 792943746 /nfs/dbraw/zinc/94/37/46/792943746.db2.gz MYXVLOKTIMDMLD-UHFFFAOYSA-N 1 0 340.384 -1.690 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001122978248 792944185 /nfs/dbraw/zinc/94/41/85/792944185.db2.gz JRYDDEWVVXIXHH-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CCOCC(=O)NCC[NH2+]CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001122978249 792944432 /nfs/dbraw/zinc/94/44/32/792944432.db2.gz JRYDDEWVVXIXHH-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO CCOCC(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001122978724 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792945403 /nfs/dbraw/zinc/94/54/03/792945403.db2.gz SZNBCURVUPQJJU-RISCZKNCSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001123072589 792946013 /nfs/dbraw/zinc/94/60/13/792946013.db2.gz SZNBCURVUPQJJU-SMDDNHRTSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001123072806 792945277 /nfs/dbraw/zinc/94/52/77/792945277.db2.gz YMISVKZNVKYSEV-CMPLNLGQSA-N 1 0 334.442 -1.502 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001123072807 792945147 /nfs/dbraw/zinc/94/51/47/792945147.db2.gz YMISVKZNVKYSEV-JQWIXIFHSA-N 1 0 334.442 -1.502 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001123072808 786023358 /nfs/dbraw/zinc/02/33/58/786023358.db2.gz YMISVKZNVKYSEV-PWSUYJOCSA-N 1 0 334.442 -1.502 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001123072809 786023116 /nfs/dbraw/zinc/02/31/16/786023116.db2.gz YMISVKZNVKYSEV-ZYHUDNBSSA-N 1 0 334.442 -1.502 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001123072812 792946226 /nfs/dbraw/zinc/94/62/26/792946226.db2.gz YNRNUIUZNUVJFE-JTQLQIEISA-N 1 0 341.412 -1.015 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001123072813 792946319 /nfs/dbraw/zinc/94/63/19/792946319.db2.gz YNRNUIUZNUVJFE-SNVBAGLBSA-N 1 0 341.412 -1.015 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001123081829 792945548 /nfs/dbraw/zinc/94/55/48/792945548.db2.gz HCYKKZCWFOCNIE-LLVKDONJSA-N 1 0 338.412 -1.391 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001123081831 792945737 /nfs/dbraw/zinc/94/57/37/792945737.db2.gz HCYKKZCWFOCNIE-NSHDSACASA-N 1 0 338.412 -1.391 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123082268 792946456 /nfs/dbraw/zinc/94/64/56/792946456.db2.gz HWOIBCOLBSVHKZ-LLVKDONJSA-N 1 0 337.442 -1.332 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123082269 792946413 /nfs/dbraw/zinc/94/64/13/792946413.db2.gz HWOIBCOLBSVHKZ-NSHDSACASA-N 1 0 337.442 -1.332 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001123082332 792945855 /nfs/dbraw/zinc/94/58/55/792945855.db2.gz IUFHWRNHKJQOBO-JTQLQIEISA-N 1 0 329.401 -1.301 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001123082333 792945156 /nfs/dbraw/zinc/94/51/56/792945156.db2.gz IUFHWRNHKJQOBO-SNVBAGLBSA-N 1 0 329.401 -1.301 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001123082637 792946425 /nfs/dbraw/zinc/94/64/25/792946425.db2.gz KITGERBOHVIVSW-LLVKDONJSA-N 1 0 341.412 -2.093 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001123082638 792945292 /nfs/dbraw/zinc/94/52/92/792945292.db2.gz KITGERBOHVIVSW-NSHDSACASA-N 1 0 341.412 -2.093 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001123082647 792945716 /nfs/dbraw/zinc/94/57/16/792945716.db2.gz KNBNADMWDZSYSH-GXSJLCMTSA-N 1 0 328.369 -2.273 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001123082648 792945890 /nfs/dbraw/zinc/94/58/90/792945890.db2.gz KNBNADMWDZSYSH-KOLCDFICSA-N 1 0 328.369 -2.273 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001123082649 792945331 /nfs/dbraw/zinc/94/53/31/792945331.db2.gz KNBNADMWDZSYSH-MWLCHTKSSA-N 1 0 328.369 -2.273 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001123082650 792946381 /nfs/dbraw/zinc/94/63/81/792946381.db2.gz KNBNADMWDZSYSH-ONGXEEELSA-N 1 0 328.369 -2.273 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001123082703 792945533 /nfs/dbraw/zinc/94/55/33/792945533.db2.gz MADZWYXNASHNDQ-GWCFXTLKSA-N 1 0 336.396 -1.244 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001123082704 792945458 /nfs/dbraw/zinc/94/54/58/792945458.db2.gz MADZWYXNASHNDQ-GXFFZTMASA-N 1 0 336.396 -1.244 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001123082705 792945836 /nfs/dbraw/zinc/94/58/36/792945836.db2.gz MADZWYXNASHNDQ-MFKMUULPSA-N 1 0 336.396 -1.244 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001123082706 792946203 /nfs/dbraw/zinc/94/62/03/792946203.db2.gz MADZWYXNASHNDQ-ZWNOBZJWSA-N 1 0 336.396 -1.244 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001123082931 792945629 /nfs/dbraw/zinc/94/56/29/792945629.db2.gz MOWIYCQQWPYQLG-JTQLQIEISA-N 1 0 341.412 -2.059 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001123082932 792945948 /nfs/dbraw/zinc/94/59/48/792945948.db2.gz MOWIYCQQWPYQLG-SNVBAGLBSA-N 1 0 341.412 -2.059 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001123083025 792945564 /nfs/dbraw/zinc/94/55/64/792945564.db2.gz NVGMYMBBJITOCJ-SECBINFHSA-N 1 0 329.401 -1.159 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001123083026 792945697 /nfs/dbraw/zinc/94/56/97/792945697.db2.gz NVGMYMBBJITOCJ-VIFPVBQESA-N 1 0 329.401 -1.159 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001123083929 792945676 /nfs/dbraw/zinc/94/56/76/792945676.db2.gz UUSJEEZBHPDQIE-AAEUAGOBSA-N 1 0 331.413 -1.227 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001123083930 792944974 /nfs/dbraw/zinc/94/49/74/792944974.db2.gz UUSJEEZBHPDQIE-DGCLKSJQSA-N 1 0 331.413 -1.227 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001123083931 792946417 /nfs/dbraw/zinc/94/64/17/792946417.db2.gz UUSJEEZBHPDQIE-WCQYABFASA-N 1 0 331.413 -1.227 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001123083932 792945911 /nfs/dbraw/zinc/94/59/11/792945911.db2.gz UUSJEEZBHPDQIE-YPMHNXCESA-N 1 0 331.413 -1.227 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001123084268 792945974 /nfs/dbraw/zinc/94/59/74/792945974.db2.gz ZBUCONTZDBZCMV-CMPLNLGQSA-N 1 0 336.396 -1.244 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001123084269 792945352 /nfs/dbraw/zinc/94/53/52/792945352.db2.gz ZBUCONTZDBZCMV-JQWIXIFHSA-N 1 0 336.396 -1.244 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001123084281 792946386 /nfs/dbraw/zinc/94/63/86/792946386.db2.gz ZBUCONTZDBZCMV-PWSUYJOCSA-N 1 0 336.396 -1.244 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001123084282 792945583 /nfs/dbraw/zinc/94/55/83/792945583.db2.gz ZBUCONTZDBZCMV-ZYHUDNBSSA-N 1 0 336.396 -1.244 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123089119 792945479 /nfs/dbraw/zinc/94/54/79/792945479.db2.gz BFTAQMWEYHLSCT-JTQLQIEISA-N 1 0 329.401 -1.157 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123089122 792946459 /nfs/dbraw/zinc/94/64/59/792946459.db2.gz BFTAQMWEYHLSCT-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001123089794 792946292 /nfs/dbraw/zinc/94/62/92/792946292.db2.gz FWJDAWDQCGAWHY-BDAKNGLRSA-N 1 0 327.385 -1.407 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001123089796 792945997 /nfs/dbraw/zinc/94/59/97/792945997.db2.gz FWJDAWDQCGAWHY-DTWKUNHWSA-N 1 0 327.385 -1.407 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001123089798 792946371 /nfs/dbraw/zinc/94/63/71/792946371.db2.gz FWJDAWDQCGAWHY-IUCAKERBSA-N 1 0 327.385 -1.407 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001123089800 792945368 /nfs/dbraw/zinc/94/53/68/792945368.db2.gz FWJDAWDQCGAWHY-RKDXNWHRSA-N 1 0 327.385 -1.407 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001123089818 792945820 /nfs/dbraw/zinc/94/58/20/792945820.db2.gz FYTXJXFWZMTBCO-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001123089823 792946062 /nfs/dbraw/zinc/94/60/62/792946062.db2.gz FYTXJXFWZMTBCO-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123090353 792945217 /nfs/dbraw/zinc/94/52/17/792945217.db2.gz HLLCBMYYCSHPQL-LLVKDONJSA-N 1 0 343.428 -1.799 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123090355 792945929 /nfs/dbraw/zinc/94/59/29/792945929.db2.gz HLLCBMYYCSHPQL-NSHDSACASA-N 1 0 343.428 -1.799 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001123090447 792945432 /nfs/dbraw/zinc/94/54/32/792945432.db2.gz ITGFFGNHRHKTJE-SECBINFHSA-N 1 0 325.369 -2.186 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001123090453 792946434 /nfs/dbraw/zinc/94/64/34/792946434.db2.gz ITGFFGNHRHKTJE-VIFPVBQESA-N 1 0 325.369 -2.186 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001123090511 792945472 /nfs/dbraw/zinc/94/54/72/792945472.db2.gz JDEIORYVQNHMOC-SECBINFHSA-N 1 0 327.385 -1.453 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001123090513 792945317 /nfs/dbraw/zinc/94/53/17/792945317.db2.gz JDEIORYVQNHMOC-VIFPVBQESA-N 1 0 327.385 -1.453 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001123091327 792945249 /nfs/dbraw/zinc/94/52/49/792945249.db2.gz PBEHGMYGMLQRNY-NXEZZACHSA-N 1 0 329.401 -2.190 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001123091328 792945802 /nfs/dbraw/zinc/94/58/02/792945802.db2.gz PBEHGMYGMLQRNY-UWVGGRQHSA-N 1 0 329.401 -2.190 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001123091330 792946276 /nfs/dbraw/zinc/94/62/76/792946276.db2.gz PBEHGMYGMLQRNY-VHSXEESVSA-N 1 0 329.401 -2.190 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001123091331 792946357 /nfs/dbraw/zinc/94/63/57/792946357.db2.gz PBEHGMYGMLQRNY-ZJUUUORDSA-N 1 0 329.401 -2.190 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123091425 792945231 /nfs/dbraw/zinc/94/52/31/792945231.db2.gz QWEQDVJJDHVRGI-NXEZZACHSA-N 1 0 345.400 -1.923 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123091430 792946403 /nfs/dbraw/zinc/94/64/03/792946403.db2.gz QWEQDVJJDHVRGI-UWVGGRQHSA-N 1 0 345.400 -1.923 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123091431 792946441 /nfs/dbraw/zinc/94/64/41/792946441.db2.gz QWEQDVJJDHVRGI-VHSXEESVSA-N 1 0 345.400 -1.923 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123091434 792946084 /nfs/dbraw/zinc/94/60/84/792946084.db2.gz QWEQDVJJDHVRGI-ZJUUUORDSA-N 1 0 345.400 -1.923 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001123092083 792947519 /nfs/dbraw/zinc/94/75/19/792947519.db2.gz VLBKLRRYZMQTMQ-CMPLNLGQSA-N 1 0 341.412 -2.059 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001123092084 792947829 /nfs/dbraw/zinc/94/78/29/792947829.db2.gz VLBKLRRYZMQTMQ-JQWIXIFHSA-N 1 0 341.412 -2.059 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001123092085 792947688 /nfs/dbraw/zinc/94/76/88/792947688.db2.gz VLBKLRRYZMQTMQ-PWSUYJOCSA-N 1 0 341.412 -2.059 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001123092086 792947942 /nfs/dbraw/zinc/94/79/42/792947942.db2.gz VLBKLRRYZMQTMQ-ZYHUDNBSSA-N 1 0 341.412 -2.059 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001123092400 792947978 /nfs/dbraw/zinc/94/79/78/792947978.db2.gz YEOKHEFNZYAOTC-NXEZZACHSA-N 1 0 329.401 -1.161 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001123092402 792947953 /nfs/dbraw/zinc/94/79/53/792947953.db2.gz YEOKHEFNZYAOTC-UWVGGRQHSA-N 1 0 329.401 -1.161 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001123092404 792947348 /nfs/dbraw/zinc/94/73/48/792947348.db2.gz YEOKHEFNZYAOTC-VHSXEESVSA-N 1 0 329.401 -1.161 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001123092405 792947330 /nfs/dbraw/zinc/94/73/30/792947330.db2.gz YEOKHEFNZYAOTC-ZJUUUORDSA-N 1 0 329.401 -1.161 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001123092548 792947779 /nfs/dbraw/zinc/94/77/79/792947779.db2.gz ZRHKPFMKPHXBMJ-LLVKDONJSA-N 1 0 341.412 -2.045 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001123092550 792948106 /nfs/dbraw/zinc/94/81/06/792948106.db2.gz ZRHKPFMKPHXBMJ-NSHDSACASA-N 1 0 341.412 -2.045 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123095041 792946761 /nfs/dbraw/zinc/94/67/61/792946761.db2.gz BOWSVPWNMOHXHU-UHFFFAOYSA-N 1 0 347.379 -1.106 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123095121 792946882 /nfs/dbraw/zinc/94/68/82/792946882.db2.gz FXFJHMBIRLDOGI-UHFFFAOYSA-N 1 0 331.398 -1.217 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccc(=O)[nH]n1 ZINC001123095131 792947633 /nfs/dbraw/zinc/94/76/33/792947633.db2.gz GIXGQRNJCDXHCR-SECBINFHSA-N 1 0 337.336 -1.989 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccc(=O)[nH]n1 ZINC001123095132 792948000 /nfs/dbraw/zinc/94/80/00/792948000.db2.gz GIXGQRNJCDXHCR-VIFPVBQESA-N 1 0 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CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)Cn2cnnn2)C1 ZINC001123312233 792951255 /nfs/dbraw/zinc/95/12/55/792951255.db2.gz BENLZXPEOFYTTC-SNVBAGLBSA-N 1 0 331.402 -2.340 20 0 EAADRO Cn1cc(-c2cc(C[NH2+]CCNC(=O)Cn3cnnn3)on2)cn1 ZINC001123312242 792951862 /nfs/dbraw/zinc/95/18/62/792951862.db2.gz BUERSKIZUQERBU-UHFFFAOYSA-N 1 0 331.340 -1.032 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NC(=O)NC1CCCC1 ZINC001123312281 792951233 /nfs/dbraw/zinc/95/12/33/792951233.db2.gz CTXODDHIDGXNND-UHFFFAOYSA-N 1 0 338.372 -1.853 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001123312535 792951111 /nfs/dbraw/zinc/95/11/11/792951111.db2.gz GANXQHFKINNYRO-GFCCVEGCSA-N 1 0 337.384 -1.984 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001123312536 792952144 /nfs/dbraw/zinc/95/21/44/792952144.db2.gz GANXQHFKINNYRO-LBPRGKRZSA-N 1 0 337.384 -1.984 20 0 EAADRO CCS(=O)(=O)CCCCC[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123312598 786025037 /nfs/dbraw/zinc/02/50/37/786025037.db2.gz IDVJTYAPYKAFTF-UHFFFAOYSA-N 1 0 332.430 -1.016 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1cnnn1)C(=O)NC(=O)NC(C)(C)C ZINC001123312943 792951283 /nfs/dbraw/zinc/95/12/83/792951283.db2.gz KUWONSPBUTUUIT-SECBINFHSA-N 1 0 340.388 -1.608 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1cnnn1)C(=O)NC(=O)NC(C)(C)C ZINC001123312946 792950937 /nfs/dbraw/zinc/95/09/37/792950937.db2.gz KUWONSPBUTUUIT-VIFPVBQESA-N 1 0 340.388 -1.608 20 0 EAADRO NC(=O)c1ccccc1NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123313273 792951295 /nfs/dbraw/zinc/95/12/95/792951295.db2.gz RJPFLJKVFKPLAV-UHFFFAOYSA-N 1 0 346.351 -1.884 20 0 EAADRO CS(=O)(=O)c1cccc(C[NH2+]CCNC(=O)Cn2cnnn2)c1 ZINC001123313327 792951425 /nfs/dbraw/zinc/95/14/25/792951425.db2.gz SFSNNUFPSQJSQJ-UHFFFAOYSA-N 1 0 338.393 -1.017 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001123313587 792950918 /nfs/dbraw/zinc/95/09/18/792950918.db2.gz SLFMJBCPOCAKET-MRVPVSSYSA-N 1 0 326.279 -1.681 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001123313591 792951141 /nfs/dbraw/zinc/95/11/41/792951141.db2.gz SLFMJBCPOCAKET-QMMMGPOBSA-N 1 0 326.279 -1.681 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NC(=O)Nc1ccccc1 ZINC001123313677 792951308 /nfs/dbraw/zinc/95/13/08/792951308.db2.gz VEYDXZCNGZTHNM-UHFFFAOYSA-N 1 0 346.351 -1.273 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123313717 792951824 /nfs/dbraw/zinc/95/18/24/792951824.db2.gz WLPNDYGHXDUAHO-UHFFFAOYSA-N 1 0 340.388 -2.590 20 0 EAADRO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)Cn2cnnn2)cc1 ZINC001123313725 792950972 /nfs/dbraw/zinc/95/09/72/792950972.db2.gz WTEOXFXTSCLMNK-UHFFFAOYSA-N 1 0 338.393 -1.017 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]CCn1cnc2ccccc2c1=O ZINC001123313832 792950961 /nfs/dbraw/zinc/95/09/61/792950961.db2.gz XVMNTBMKDOQVOG-UHFFFAOYSA-N 1 0 342.363 -1.211 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC001123313853 792950928 /nfs/dbraw/zinc/95/09/28/792950928.db2.gz YGCUEBYQKCXIEA-UHFFFAOYSA-N 1 0 343.347 -1.325 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NCc1ccc(F)cc1 ZINC001123313868 792951184 /nfs/dbraw/zinc/95/11/84/792951184.db2.gz YMDSUEDIOIEKEI-UHFFFAOYSA-N 1 0 335.343 -1.166 20 0 EAADRO Cc1csc2nc(C[NH2+]CCNC(=O)Cn3cnnn3)cc(=O)n12 ZINC001123313879 792950641 /nfs/dbraw/zinc/95/06/41/792950641.db2.gz YPUCLQJVPNRLNO-UHFFFAOYSA-N 1 0 348.392 -1.043 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)Cn2cnnn2)s1 ZINC001123313948 792951040 /nfs/dbraw/zinc/95/10/40/792951040.db2.gz ZKSYQHXGDBQZHK-UHFFFAOYSA-N 1 0 325.358 -1.822 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cn2cnnn2)CC1 ZINC001123326504 792950822 /nfs/dbraw/zinc/95/08/22/792950822.db2.gz AKVLQISFQVSIET-UHFFFAOYSA-N 1 0 338.372 -2.897 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)n1 ZINC001123326516 792951130 /nfs/dbraw/zinc/95/11/30/792951130.db2.gz BBNGZACZAIMBHO-LLVKDONJSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)n1 ZINC001123326517 792950708 /nfs/dbraw/zinc/95/07/08/792950708.db2.gz BBNGZACZAIMBHO-NSHDSACASA-N 1 0 347.383 -1.692 20 0 EAADRO CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123326529 792951238 /nfs/dbraw/zinc/95/12/38/792951238.db2.gz BIKAFKQJYBFFJS-UHFFFAOYSA-N 1 0 335.372 -1.376 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123326535 792951463 /nfs/dbraw/zinc/95/14/63/792951463.db2.gz BMTOOLUENXACNU-UHFFFAOYSA-N 1 0 335.372 -2.229 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)n(C)n1 ZINC001123326541 792952162 /nfs/dbraw/zinc/95/21/62/792952162.db2.gz BOHCGWSHAPLJQQ-LLVKDONJSA-N 1 0 347.383 -1.774 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)n(C)n1 ZINC001123326542 792951932 /nfs/dbraw/zinc/95/19/32/792951932.db2.gz BOHCGWSHAPLJQQ-NSHDSACASA-N 1 0 347.383 -1.774 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123326554 792951500 /nfs/dbraw/zinc/95/15/00/792951500.db2.gz CCZVBQFRWQTEED-UHFFFAOYSA-N 1 0 326.361 -1.997 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)n1 ZINC001123326670 792951730 /nfs/dbraw/zinc/95/17/30/792951730.db2.gz DTYDENMADPPCJX-JTQLQIEISA-N 1 0 333.356 -2.082 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)n1 ZINC001123326672 792951229 /nfs/dbraw/zinc/95/12/29/792951229.db2.gz DTYDENMADPPCJX-SNVBAGLBSA-N 1 0 333.356 -2.082 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NCCOc1ccccc1 ZINC001123326721 792950896 /nfs/dbraw/zinc/95/08/96/792950896.db2.gz FOMSFRVZTVDTNH-UHFFFAOYSA-N 1 0 347.379 -1.426 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123326732 792951397 /nfs/dbraw/zinc/95/13/97/792951397.db2.gz FTSUQTNJMRUUJP-UHFFFAOYSA-N 1 0 349.417 -2.665 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC001123326765 792951597 /nfs/dbraw/zinc/95/15/97/792951597.db2.gz GPBRKAAKIRGKTR-UHFFFAOYSA-N 1 0 338.393 -1.147 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@H](O)COCc1ccccc1 ZINC001123326820 792951549 /nfs/dbraw/zinc/95/15/49/792951549.db2.gz IPHKFKSEMUYQDE-AWEZNQCLSA-N 1 0 334.380 -1.043 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001123326822 792951665 /nfs/dbraw/zinc/95/16/65/792951665.db2.gz IPHKFKSEMUYQDE-CQSZACIVSA-N 1 0 334.380 -1.043 20 0 EAADRO COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123326918 792951438 /nfs/dbraw/zinc/95/14/38/792951438.db2.gz KMVBEXMXQTXQND-UHFFFAOYSA-N 1 0 347.379 -1.296 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001123327213 792953257 /nfs/dbraw/zinc/95/32/57/792953257.db2.gz NZZHFDDEZQNSNT-MRVPVSSYSA-N 1 0 335.290 -1.458 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001123327214 792953380 /nfs/dbraw/zinc/95/33/80/792953380.db2.gz NZZHFDDEZQNSNT-QMMMGPOBSA-N 1 0 335.290 -1.458 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]CC(=O)N1CCc2ccccc21 ZINC001123327218 792952897 /nfs/dbraw/zinc/95/28/97/792952897.db2.gz OJMXFANFHQQFBY-UHFFFAOYSA-N 1 0 329.364 -1.032 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123327438 792953640 /nfs/dbraw/zinc/95/36/40/792953640.db2.gz RBXFMMBQVQVACN-UHFFFAOYSA-N 1 0 334.402 -2.170 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NCCc1cccs1 ZINC001123327484 792953545 /nfs/dbraw/zinc/95/35/45/792953545.db2.gz RMLKZBOGFIFMAX-UHFFFAOYSA-N 1 0 337.409 -1.201 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001123327525 792952410 /nfs/dbraw/zinc/95/24/10/792952410.db2.gz RXASXLVCYCJKGS-SECBINFHSA-N 1 0 325.329 -3.111 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001123327528 792953603 /nfs/dbraw/zinc/95/36/03/792953603.db2.gz RXASXLVCYCJKGS-VIFPVBQESA-N 1 0 325.329 -3.111 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NCCc1ccccc1 ZINC001123327531 792953591 /nfs/dbraw/zinc/95/35/91/792953591.db2.gz RZLZIEMJHNANHJ-UHFFFAOYSA-N 1 0 331.380 -1.262 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)cn1 ZINC001123327552 792952788 /nfs/dbraw/zinc/95/27/88/792952788.db2.gz SGAGWPKGRIBFDJ-GFCCVEGCSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)cn1 ZINC001123327554 792953027 /nfs/dbraw/zinc/95/30/27/792953027.db2.gz SGAGWPKGRIBFDJ-LBPRGKRZSA-N 1 0 347.383 -1.692 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001123327564 792953228 /nfs/dbraw/zinc/95/32/28/792953228.db2.gz SGVYSRWEHVILCW-GFCCVEGCSA-N 1 0 338.343 -1.042 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001123327566 792952774 /nfs/dbraw/zinc/95/27/74/792952774.db2.gz SGVYSRWEHVILCW-LBPRGKRZSA-N 1 0 338.343 -1.042 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001123327716 792952854 /nfs/dbraw/zinc/95/28/54/792952854.db2.gz VGHJCFWTYOQTNE-LLVKDONJSA-N 1 0 328.373 -2.065 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001123327718 792952746 /nfs/dbraw/zinc/95/27/46/792952746.db2.gz VGHJCFWTYOQTNE-NSHDSACASA-N 1 0 328.373 -2.065 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123327726 792953736 /nfs/dbraw/zinc/95/37/36/792953736.db2.gz VKKUREHEVMCIAK-UHFFFAOYSA-N 1 0 326.361 -2.139 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NCCc1ccsc1 ZINC001123327782 792953347 /nfs/dbraw/zinc/95/33/47/792953347.db2.gz WQJUVIAWCHAHLI-UHFFFAOYSA-N 1 0 337.409 -1.201 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)cn1 ZINC001123328029 792952920 /nfs/dbraw/zinc/95/29/20/792952920.db2.gz ZBELDPFSKGCXLH-LLVKDONJSA-N 1 0 333.356 -2.082 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)Cn3cnnn3)C2=O)cn1 ZINC001123328031 792952809 /nfs/dbraw/zinc/95/28/09/792952809.db2.gz ZBELDPFSKGCXLH-NSHDSACASA-N 1 0 333.356 -2.082 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335069 792952436 /nfs/dbraw/zinc/95/24/36/792952436.db2.gz AWXQNHUCKGQAQB-LLVKDONJSA-N 1 0 327.389 -1.690 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335070 792953000 /nfs/dbraw/zinc/95/30/00/792953000.db2.gz AWXQNHUCKGQAQB-NSHDSACASA-N 1 0 327.389 -1.690 20 0 EAADRO CC(C)n1nccc1NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335081 792953714 /nfs/dbraw/zinc/95/37/14/792953714.db2.gz BFECLIGHERTSBG-UHFFFAOYSA-N 1 0 335.372 -1.205 20 0 EAADRO COc1cccc(CNC(=O)C[NH2+]CCNC(=O)Cn2cnnn2)c1 ZINC001123335093 792953276 /nfs/dbraw/zinc/95/32/76/792953276.db2.gz BTSAIWCEHCUXAR-UHFFFAOYSA-N 1 0 347.379 -1.296 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335103 792953770 /nfs/dbraw/zinc/95/37/70/792953770.db2.gz CWMJFQNXGTUFFR-JTQLQIEISA-N 1 0 349.399 -1.244 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335104 792953432 /nfs/dbraw/zinc/95/34/32/792953432.db2.gz CWMJFQNXGTUFFR-SNVBAGLBSA-N 1 0 349.399 -1.244 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335106 792953630 /nfs/dbraw/zinc/95/36/30/792953630.db2.gz CZBXBAIYHLNRIL-UHFFFAOYSA-N 1 0 341.416 -1.442 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NCC(=O)N1CCCC1 ZINC001123335107 792953850 /nfs/dbraw/zinc/95/38/50/792953850.db2.gz DARNLASRLHCXPL-UHFFFAOYSA-N 1 0 338.372 -2.883 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCO1 ZINC001123335112 792953493 /nfs/dbraw/zinc/95/34/93/792953493.db2.gz DIZAODGIFYSHLG-GHMZBOCLSA-N 1 0 325.373 -1.937 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCO1 ZINC001123335113 792953826 /nfs/dbraw/zinc/95/38/26/792953826.db2.gz DIZAODGIFYSHLG-MNOVXSKESA-N 1 0 325.373 -1.937 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCO1 ZINC001123335114 792953534 /nfs/dbraw/zinc/95/35/34/792953534.db2.gz DIZAODGIFYSHLG-QWRGUYRKSA-N 1 0 325.373 -1.937 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCO1 ZINC001123335115 792953114 /nfs/dbraw/zinc/95/31/14/792953114.db2.gz DIZAODGIFYSHLG-WDEREUQCSA-N 1 0 325.373 -1.937 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cn2cnnn2)C1 ZINC001123335166 792952833 /nfs/dbraw/zinc/95/28/33/792952833.db2.gz GSRASQMIQXHTDR-JTQLQIEISA-N 1 0 338.372 -2.897 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cn2cnnn2)C1 ZINC001123335167 792953747 /nfs/dbraw/zinc/95/37/47/792953747.db2.gz GSRASQMIQXHTDR-SNVBAGLBSA-N 1 0 338.372 -2.897 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001123335190 792953930 /nfs/dbraw/zinc/95/39/30/792953930.db2.gz HJBPNTBJJVLJAW-SECBINFHSA-N 1 0 326.361 -3.028 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001123335191 792953617 /nfs/dbraw/zinc/95/36/17/792953617.db2.gz HJBPNTBJJVLJAW-VIFPVBQESA-N 1 0 326.361 -3.028 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC001123335194 792952539 /nfs/dbraw/zinc/95/25/39/792952539.db2.gz HLEMTVCIYSPLHK-UHFFFAOYSA-N 1 0 343.391 -1.036 20 0 EAADRO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)Cn2cnnn2)cc1 ZINC001123335213 792953138 /nfs/dbraw/zinc/95/31/38/792953138.db2.gz IGFQFUTXISNMPX-UHFFFAOYSA-N 1 0 347.379 -1.296 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335235 792953086 /nfs/dbraw/zinc/95/30/86/792953086.db2.gz JDBIPZNCPHGFLF-SECBINFHSA-N 1 0 342.360 -2.760 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335236 792953703 /nfs/dbraw/zinc/95/37/03/792953703.db2.gz JDBIPZNCPHGFLF-VIFPVBQESA-N 1 0 342.360 -2.760 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)Cn2cnnn2)C1=O ZINC001123335257 792953841 /nfs/dbraw/zinc/95/38/41/792953841.db2.gz KGUJGPRFUGUFEO-UHFFFAOYSA-N 1 0 338.372 -1.901 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335307 792953302 /nfs/dbraw/zinc/95/33/02/792953302.db2.gz MHQOQIPGDDMIRF-UHFFFAOYSA-N 1 0 335.372 -1.632 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2cnnn2)C[C@@H](C)O1 ZINC001123335318 792952422 /nfs/dbraw/zinc/95/24/22/792952422.db2.gz NBKMRUPCTMZMJW-GHMZBOCLSA-N 1 0 325.373 -1.985 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2cnnn2)C[C@H](C)O1 ZINC001123335319 792953915 /nfs/dbraw/zinc/95/39/15/792953915.db2.gz NBKMRUPCTMZMJW-PHIMTYICSA-N 1 0 325.373 -1.985 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2cnnn2)C[C@H](C)O1 ZINC001123335320 792954000 /nfs/dbraw/zinc/95/40/00/792954000.db2.gz NBKMRUPCTMZMJW-QWRGUYRKSA-N 1 0 325.373 -1.985 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cn2cnnn2)CC1 ZINC001123335351 792953979 /nfs/dbraw/zinc/95/39/79/792953979.db2.gz OCWMFJNCNSUMPD-UHFFFAOYSA-N 1 0 338.372 -2.930 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001123335352 792953948 /nfs/dbraw/zinc/95/39/48/792953948.db2.gz OCZNEVDHJYWKDA-NEPJUHHUSA-N 1 0 328.373 -2.065 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001123335353 792953791 /nfs/dbraw/zinc/95/37/91/792953791.db2.gz OCZNEVDHJYWKDA-NWDGAFQWSA-N 1 0 328.373 -2.065 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001123335354 792952564 /nfs/dbraw/zinc/95/25/64/792952564.db2.gz OCZNEVDHJYWKDA-RYUDHWBXSA-N 1 0 328.373 -2.065 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001123335355 792953667 /nfs/dbraw/zinc/95/36/67/792953667.db2.gz OCZNEVDHJYWKDA-VXGBXAGGSA-N 1 0 328.373 -2.065 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335368 792953069 /nfs/dbraw/zinc/95/30/69/792953069.db2.gz OOKZUNXQPDBYEP-UHFFFAOYSA-N 1 0 340.388 -2.637 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335392 792953812 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CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123335526 792953646 /nfs/dbraw/zinc/95/36/46/792953646.db2.gz VTYGFXUYANPOIR-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123335527 792953675 /nfs/dbraw/zinc/95/36/75/792953675.db2.gz VTYGFXUYANPOIR-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335540 792953190 /nfs/dbraw/zinc/95/31/90/792953190.db2.gz WGGYUBOZINTQJS-JTQLQIEISA-N 1 0 340.388 -1.751 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335541 792953514 /nfs/dbraw/zinc/95/35/14/792953514.db2.gz WGGYUBOZINTQJS-SNVBAGLBSA-N 1 0 340.388 -1.751 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1cnnn1)NCCc1ccc(F)cc1 ZINC001123335580 792953448 /nfs/dbraw/zinc/95/34/48/792953448.db2.gz XOEWPWBSMSWNNO-UHFFFAOYSA-N 1 0 349.370 -1.123 20 0 EAADRO O=C(Cn1cnnn1)NCC[NH2+]C[C@@H](O)COc1ccccc1F ZINC001123335604 792953483 /nfs/dbraw/zinc/95/34/83/792953483.db2.gz 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CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)CN2CCCC2=O)C1 ZINC001123341714 792953409 /nfs/dbraw/zinc/95/34/09/792953409.db2.gz NSJVNGSKWZWOBR-LBPRGKRZSA-N 1 0 346.453 -1.404 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CN2CCCC2=O)CCO1 ZINC001123341738 792953801 /nfs/dbraw/zinc/95/38/01/792953801.db2.gz PFNNXBLDASYZMQ-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CN2CCCC2=O)CCO1 ZINC001123341739 792953362 /nfs/dbraw/zinc/95/33/62/792953362.db2.gz PFNNXBLDASYZMQ-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123342004 792952624 /nfs/dbraw/zinc/95/26/24/792952624.db2.gz XYJRANPDVJJJQE-CHWSQXEVSA-N 1 0 331.413 -1.273 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123342005 792953868 /nfs/dbraw/zinc/95/38/68/792953868.db2.gz XYJRANPDVJJJQE-OLZOCXBDSA-N 1 0 331.413 -1.273 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123342006 792953336 /nfs/dbraw/zinc/95/33/36/792953336.db2.gz XYJRANPDVJJJQE-QWHCGFSZSA-N 1 0 331.413 -1.273 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123342007 792952581 /nfs/dbraw/zinc/95/25/81/792952581.db2.gz XYJRANPDVJJJQE-STQMWFEESA-N 1 0 331.413 -1.273 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CCCC1=O)Nc1nncs1 ZINC001123342054 792953237 /nfs/dbraw/zinc/95/32/37/792953237.db2.gz ZJEGEAMLOOGWLQ-UHFFFAOYSA-N 1 0 326.382 -1.195 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123347544 792953893 /nfs/dbraw/zinc/95/38/93/792953893.db2.gz BTGBBXSGCVZJPB-UHFFFAOYSA-N 1 0 349.453 -1.234 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CN1CCCC1=O)C(=O)NC(=O)NC1CC1 ZINC001123347614 792952705 /nfs/dbraw/zinc/95/27/05/792952705.db2.gz CRZLVWUMMPKGFP-JTQLQIEISA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CN1CCCC1=O)C(=O)NC(=O)NC1CC1 ZINC001123347617 792955422 /nfs/dbraw/zinc/95/54/22/792955422.db2.gz CRZLVWUMMPKGFP-SNVBAGLBSA-N 1 0 339.396 -1.309 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123347643 792955859 /nfs/dbraw/zinc/95/58/59/792955859.db2.gz DNBYTAZIGZWDJT-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)CN3CCCC3=O)C2=O)n1 ZINC001123347759 792955553 /nfs/dbraw/zinc/95/55/53/792955553.db2.gz FZWNKXLKDLYDGZ-GFCCVEGCSA-N 1 0 348.407 -1.146 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)CN3CCCC3=O)C2=O)n1 ZINC001123347761 792954870 /nfs/dbraw/zinc/95/48/70/792954870.db2.gz FZWNKXLKDLYDGZ-LBPRGKRZSA-N 1 0 348.407 -1.146 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)CN2CCCC2=O)C1=O ZINC001123347772 792954800 /nfs/dbraw/zinc/95/48/00/792954800.db2.gz GDTFTGJRKGJWFP-UHFFFAOYSA-N 1 0 339.396 -1.355 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123347796 792954823 /nfs/dbraw/zinc/95/48/23/792954823.db2.gz GRLKSGAFMSTWAS-UHFFFAOYSA-N 1 0 341.412 -1.061 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CN1CCCC1=O)C(=O)NC[C@H]1CCCO1 ZINC001123347852 792955647 /nfs/dbraw/zinc/95/56/47/792955647.db2.gz HSNZNUIZYJOUHP-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CN1CCCC1=O)C(=O)NC[C@@H]1CCCO1 ZINC001123347854 792954982 /nfs/dbraw/zinc/95/49/82/792954982.db2.gz HSNZNUIZYJOUHP-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CN1CCCC1=O)C(=O)NC[C@H]1CCCO1 ZINC001123347855 792955023 /nfs/dbraw/zinc/95/50/23/792955023.db2.gz HSNZNUIZYJOUHP-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CN1CCCC1=O)C(=O)NC[C@@H]1CCCO1 ZINC001123347857 792955135 /nfs/dbraw/zinc/95/51/35/792955135.db2.gz HSNZNUIZYJOUHP-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CN2CCCC2=O)n(C)n1 ZINC001123347888 792954856 /nfs/dbraw/zinc/95/48/56/792954856.db2.gz IKPSGMRYEKPPCB-UHFFFAOYSA-N 1 0 336.396 -1.005 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)CN2CCCC2=O)cc(=O)n(C)c1=O ZINC001123347902 792954461 /nfs/dbraw/zinc/95/44/61/792954461.db2.gz IUEPWYKXZAGTSQ-UHFFFAOYSA-N 1 0 337.380 -2.088 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001123347907 792955712 /nfs/dbraw/zinc/95/57/12/792955712.db2.gz IZQGDBBZQWHHMV-CYBMUJFWSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001123347908 792954514 /nfs/dbraw/zinc/95/45/14/792954514.db2.gz IZQGDBBZQWHHMV-ZDUSSCGKSA-N 1 0 343.424 -1.129 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348058 792954495 /nfs/dbraw/zinc/95/44/95/792954495.db2.gz LXLOLXSNZQTQQG-UHFFFAOYSA-N 1 0 341.412 -1.060 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001123348086 792955378 /nfs/dbraw/zinc/95/53/78/792955378.db2.gz MMEGRMITDMQZJE-KBPBESRZSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001123348087 792955278 /nfs/dbraw/zinc/95/52/78/792955278.db2.gz MMEGRMITDMQZJE-KGLIPLIRSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001123348088 792955916 /nfs/dbraw/zinc/95/59/16/792955916.db2.gz MMEGRMITDMQZJE-UONOGXRCSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001123348089 792955666 /nfs/dbraw/zinc/95/56/66/792955666.db2.gz MMEGRMITDMQZJE-ZIAGYGMSSA-N 1 0 343.424 -1.129 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)CN3CCCC3=O)C2=O)cn1 ZINC001123348091 792954625 /nfs/dbraw/zinc/95/46/25/792954625.db2.gz MNYASGMCBGPHGM-CYBMUJFWSA-N 1 0 348.407 -1.146 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)CN3CCCC3=O)C2=O)cn1 ZINC001123348092 792954729 /nfs/dbraw/zinc/95/47/29/792954729.db2.gz MNYASGMCBGPHGM-ZDUSSCGKSA-N 1 0 348.407 -1.146 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348123 792955876 /nfs/dbraw/zinc/95/58/76/792955876.db2.gz OEJDZVBJVZSWEE-LLVKDONJSA-N 1 0 341.412 -1.063 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348162 792955760 /nfs/dbraw/zinc/95/57/60/792955760.db2.gz OEJDZVBJVZSWEE-NSHDSACASA-N 1 0 341.412 -1.063 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CCCC1=O)NC[C@H]1CCOC1 ZINC001123348190 792955625 /nfs/dbraw/zinc/95/56/25/792955625.db2.gz PHNYUZGSZGZQGB-GFCCVEGCSA-N 1 0 326.397 -1.533 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CCCC1=O)NC[C@@H]1CCOC1 ZINC001123348191 792955311 /nfs/dbraw/zinc/95/53/11/792955311.db2.gz PHNYUZGSZGZQGB-LBPRGKRZSA-N 1 0 326.397 -1.533 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001123348340 792954843 /nfs/dbraw/zinc/95/48/43/792954843.db2.gz VZBISMQJXXMCGJ-UHFFFAOYSA-N 1 0 325.369 -1.744 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001123348346 792955814 /nfs/dbraw/zinc/95/58/14/792955814.db2.gz WGWMBVWIVWZRCB-LLVKDONJSA-N 1 0 340.380 -2.176 20 0 EAADRO O=C(CN1CCCC1=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001123348347 792955447 /nfs/dbraw/zinc/95/54/47/792955447.db2.gz WGWMBVWIVWZRCB-NSHDSACASA-N 1 0 340.380 -2.176 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348369 792955094 /nfs/dbraw/zinc/95/50/94/792955094.db2.gz XCCGJDJWINSNPI-UHFFFAOYSA-N 1 0 341.412 -1.204 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348403 792955391 /nfs/dbraw/zinc/95/53/91/792955391.db2.gz 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C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CN2CCCC2=O)C[C@H](C)O1 ZINC001123348436 792954579 /nfs/dbraw/zinc/95/45/79/792954579.db2.gz ZPMRIIDZOJXULU-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C)cn1 ZINC001123354013 792955824 /nfs/dbraw/zinc/95/58/24/792955824.db2.gz WLHWAMVAWDVKCD-UHFFFAOYSA-N 1 0 338.412 -1.230 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnn(C)c1 ZINC001123358431 792954710 /nfs/dbraw/zinc/95/47/10/792954710.db2.gz FVTGZEZDIKJSHQ-UHFFFAOYSA-N 1 0 347.441 -1.305 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)cn1 ZINC001123359042 792955202 /nfs/dbraw/zinc/95/52/02/792955202.db2.gz KZCAPFPKLMBLGY-LLVKDONJSA-N 1 0 336.396 -1.537 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)cn1 ZINC001123359043 792955327 /nfs/dbraw/zinc/95/53/27/792955327.db2.gz KZCAPFPKLMBLGY-NSHDSACASA-N 1 0 336.396 -1.537 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)cn1 ZINC001123359926 792955233 /nfs/dbraw/zinc/95/52/33/792955233.db2.gz 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CC(=O)CCCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001123484849 786027165 /nfs/dbraw/zinc/02/71/65/786027165.db2.gz MYEFIAPFOVVOAI-GFCCVEGCSA-N 1 0 327.381 -1.039 20 0 EAADRO CC(=O)CCCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001123484850 786027455 /nfs/dbraw/zinc/02/74/55/786027455.db2.gz MYEFIAPFOVVOAI-LBPRGKRZSA-N 1 0 327.381 -1.039 20 0 EAADRO C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1C[N@H+](C)CCN1C ZINC001123502785 792955573 /nfs/dbraw/zinc/95/55/73/792955573.db2.gz CAMDZWYWGUHHIG-NEPJUHHUSA-N 1 0 340.428 -1.138 20 0 EAADRO C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1C[N@H+](C)CCN1C ZINC001123502789 792954762 /nfs/dbraw/zinc/95/47/62/792954762.db2.gz CAMDZWYWGUHHIG-NWDGAFQWSA-N 1 0 340.428 -1.138 20 0 EAADRO C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1C[N@H+](C)CCN1C ZINC001123502790 792955253 /nfs/dbraw/zinc/95/52/53/792955253.db2.gz CAMDZWYWGUHHIG-RYUDHWBXSA-N 1 0 340.428 -1.138 20 0 EAADRO C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1C[N@H+](C)CCN1C ZINC001123502792 792954931 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PMFQZSJJTAOVBQ-UHFFFAOYSA-N 1 0 336.396 -1.673 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cccn1 ZINC001123535800 792956748 /nfs/dbraw/zinc/95/67/48/792956748.db2.gz UUZZBPYFRGVTKN-LLVKDONJSA-N 1 0 340.384 -1.550 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cccn1 ZINC001123535802 792956277 /nfs/dbraw/zinc/95/62/77/792956277.db2.gz UUZZBPYFRGVTKN-NSHDSACASA-N 1 0 340.384 -1.550 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)cnn1C ZINC001123575078 792957144 /nfs/dbraw/zinc/95/71/44/792957144.db2.gz TWHHLRDJFJLPGA-JTQLQIEISA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cnn1C ZINC001123575085 792957019 /nfs/dbraw/zinc/95/70/19/792957019.db2.gz TWHHLRDJFJLPGA-SNVBAGLBSA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)cnn1C ZINC001123611706 792957328 /nfs/dbraw/zinc/95/73/28/792957328.db2.gz KUUJZHZPHNAKGN-LLVKDONJSA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)cnn1C 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Cn1c(=O)cc(C[NH2+]CCNC(=O)CCn2cccn2)n(C)c1=O ZINC001123752306 792959445 /nfs/dbraw/zinc/95/94/45/792959445.db2.gz KRDHHJRIJOTCHD-UHFFFAOYSA-N 1 0 334.380 -1.423 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCn1cccn1)C(=O)N(C)C ZINC001123753671 792959472 /nfs/dbraw/zinc/95/94/72/792959472.db2.gz ZKQCRBHBFSSZIM-GFCCVEGCSA-N 1 0 338.412 -1.428 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCn1cccn1)C(=O)N(C)C ZINC001123753672 792959325 /nfs/dbraw/zinc/95/93/25/792959325.db2.gz ZKQCRBHBFSSZIM-LBPRGKRZSA-N 1 0 338.412 -1.428 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001123809322 792959177 /nfs/dbraw/zinc/95/91/77/792959177.db2.gz CBPBZYVUOTVOCT-UHFFFAOYSA-N 1 0 341.412 -1.061 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001123809867 792959381 /nfs/dbraw/zinc/95/93/81/792959381.db2.gz IHVBKWVHFKMQST-UHFFFAOYSA-N 1 0 349.391 -1.092 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001123810337 792958982 /nfs/dbraw/zinc/95/89/82/792958982.db2.gz 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ZINC001123815146 792958933 /nfs/dbraw/zinc/95/89/33/792958933.db2.gz NTMILYUSSWIWBN-LLVKDONJSA-N 1 0 328.369 -2.320 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001123815147 792958457 /nfs/dbraw/zinc/95/84/57/792958457.db2.gz NTMILYUSSWIWBN-NSHDSACASA-N 1 0 328.369 -2.320 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123815399 792958959 /nfs/dbraw/zinc/95/89/59/792958959.db2.gz UAMIHIJZENFFLV-UHFFFAOYSA-N 1 0 337.442 -1.378 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001123815417 792958268 /nfs/dbraw/zinc/95/82/68/792958268.db2.gz UHRINVFLRNCZSQ-UHFFFAOYSA-N 1 0 341.412 -2.106 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001123815459 792958896 /nfs/dbraw/zinc/95/88/96/792958896.db2.gz VUTQHYIKJRPKPW-CYBMUJFWSA-N 1 0 336.396 -1.291 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001123815460 792959047 /nfs/dbraw/zinc/95/90/47/792959047.db2.gz VUTQHYIKJRPKPW-ZDUSSCGKSA-N 1 0 336.396 -1.291 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001123815472 792958613 /nfs/dbraw/zinc/95/86/13/792958613.db2.gz WHUPVLIYMJCDQN-UHFFFAOYSA-N 1 0 338.412 -1.437 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001123815553 786028975 /nfs/dbraw/zinc/02/89/75/786028975.db2.gz YBADHHCVSIYEAY-GFCCVEGCSA-N 1 0 334.442 -1.548 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001123815555 786029093 /nfs/dbraw/zinc/02/90/93/786029093.db2.gz YBADHHCVSIYEAY-LBPRGKRZSA-N 1 0 334.442 -1.548 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001123819413 786029303 /nfs/dbraw/zinc/02/93/03/786029303.db2.gz BMCAHOOTVRIBKF-UHFFFAOYSA-N 1 0 341.412 -2.091 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001123819850 792958647 /nfs/dbraw/zinc/95/86/47/792958647.db2.gz FSHSZAWWKPVLFV-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001123819852 792959154 /nfs/dbraw/zinc/95/91/54/792959154.db2.gz FSHSZAWWKPVLFV-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001123819854 792959456 /nfs/dbraw/zinc/95/94/56/792959456.db2.gz FSHSZAWWKPVLFV-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001123819855 792958470 /nfs/dbraw/zinc/95/84/70/792958470.db2.gz FSHSZAWWKPVLFV-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001123819940 792958361 /nfs/dbraw/zinc/95/83/61/792958361.db2.gz HMPMYNNGAYLWJC-GFCCVEGCSA-N 1 0 341.412 -2.106 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001123819941 792959093 /nfs/dbraw/zinc/95/90/93/792959093.db2.gz HMPMYNNGAYLWJC-LBPRGKRZSA-N 1 0 341.412 -2.106 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001123819965 792958506 /nfs/dbraw/zinc/95/85/06/792958506.db2.gz IQAIYZDKVJBFQI-JTQLQIEISA-N 1 0 329.401 -2.237 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001123819966 792959079 /nfs/dbraw/zinc/95/90/79/792959079.db2.gz IQAIYZDKVJBFQI-SNVBAGLBSA-N 1 0 329.401 -2.237 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001123819975 792958061 /nfs/dbraw/zinc/95/80/61/792958061.db2.gz JFTMVZBYYKCYJM-UHFFFAOYSA-N 1 0 341.412 -2.139 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123820375 792958322 /nfs/dbraw/zinc/95/83/22/792958322.db2.gz LGWMLDGUTBTKTE-JTQLQIEISA-N 1 0 345.400 -1.969 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123820377 792958716 /nfs/dbraw/zinc/95/87/16/792958716.db2.gz LGWMLDGUTBTKTE-SNVBAGLBSA-N 1 0 345.400 -1.969 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001123820392 792958866 /nfs/dbraw/zinc/95/88/66/792958866.db2.gz LSRPCPNTCJKHRS-RYUDHWBXSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001123820393 792958109 /nfs/dbraw/zinc/95/81/09/792958109.db2.gz LSRPCPNTCJKHRS-TXEJJXNPSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001123820394 792958969 /nfs/dbraw/zinc/95/89/69/792958969.db2.gz LSRPCPNTCJKHRS-VXGBXAGGSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001123820895 792959251 /nfs/dbraw/zinc/95/92/51/792959251.db2.gz ONQOIKHOHMDSAQ-UHFFFAOYSA-N 1 0 327.385 -1.499 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123820908 792958809 /nfs/dbraw/zinc/95/88/09/792958809.db2.gz PABWKJAGNCCCRC-UHFFFAOYSA-N 1 0 343.428 -1.845 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001123821409 792958995 /nfs/dbraw/zinc/95/89/95/792958995.db2.gz RRWGHRIJPQSAJB-JTQLQIEISA-N 1 0 329.401 -1.207 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001123821412 792958882 /nfs/dbraw/zinc/95/88/82/792958882.db2.gz RRWGHRIJPQSAJB-SNVBAGLBSA-N 1 0 329.401 -1.207 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123821418 792958007 /nfs/dbraw/zinc/95/80/07/792958007.db2.gz RVBALVJRFGPNLK-UHFFFAOYSA-N 1 0 329.401 -1.204 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001123821479 792959205 /nfs/dbraw/zinc/95/92/05/792959205.db2.gz UEOKXZWVJVTLMB-UHFFFAOYSA-N 1 0 341.412 -1.109 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001123821490 792959219 /nfs/dbraw/zinc/95/92/19/792959219.db2.gz UPVOLKPOFUYAKW-CYBMUJFWSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001123821491 792958176 /nfs/dbraw/zinc/95/81/76/792958176.db2.gz UPVOLKPOFUYAKW-ZDUSSCGKSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001123821506 792958673 /nfs/dbraw/zinc/95/86/73/792958673.db2.gz VACYVEQKPVAFQP-SECBINFHSA-N 1 0 327.385 -1.453 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001123821507 792959238 /nfs/dbraw/zinc/95/92/38/792959238.db2.gz VACYVEQKPVAFQP-VIFPVBQESA-N 1 0 327.385 -1.453 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001123821720 792958586 /nfs/dbraw/zinc/95/85/86/792958586.db2.gz XODAAYYWBGAKOD-KBPBESRZSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001123821721 792959030 /nfs/dbraw/zinc/95/90/30/792959030.db2.gz XODAAYYWBGAKOD-KGLIPLIRSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001123821722 792959375 /nfs/dbraw/zinc/95/93/75/792959375.db2.gz XODAAYYWBGAKOD-UONOGXRCSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001123821723 792958784 /nfs/dbraw/zinc/95/87/84/792958784.db2.gz XODAAYYWBGAKOD-ZIAGYGMSSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001123821750 792959125 /nfs/dbraw/zinc/95/91/25/792959125.db2.gz YSYZUNMWNMILRK-UHFFFAOYSA-N 1 0 325.369 -2.232 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001123821784 792958097 /nfs/dbraw/zinc/95/80/97/792958097.db2.gz ZXOBLKDXPSEGEE-GFCCVEGCSA-N 1 0 336.396 -1.291 20 0 EAADRO CC(=O)N(C)CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001123821785 792959015 /nfs/dbraw/zinc/95/90/15/792959015.db2.gz ZXOBLKDXPSEGEE-LBPRGKRZSA-N 1 0 336.396 -1.291 20 0 EAADRO CCc1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[nH]n1 ZINC001123861299 792958309 /nfs/dbraw/zinc/95/83/09/792958309.db2.gz AKFNTPGYZNAAPC-LLVKDONJSA-N 1 0 337.380 -1.199 20 0 EAADRO CCc1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)[nH]n1 ZINC001123861301 792958375 /nfs/dbraw/zinc/95/83/75/792958375.db2.gz AKFNTPGYZNAAPC-NSHDSACASA-N 1 0 337.380 -1.199 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2COCCO2)s1 ZINC001123870209 792958846 /nfs/dbraw/zinc/95/88/46/792958846.db2.gz PBVZAVXYBXPNPQ-SECBINFHSA-N 1 0 329.382 -1.094 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2COCCO2)s1 ZINC001123870210 792959407 /nfs/dbraw/zinc/95/94/07/792959407.db2.gz PBVZAVXYBXPNPQ-VIFPVBQESA-N 1 0 329.382 -1.094 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COCCO1)N1CCOC[C@H]1C1CC1 ZINC001123870292 792958524 /nfs/dbraw/zinc/95/85/24/792958524.db2.gz PZOAFZQGZJGKTI-KBPBESRZSA-N 1 0 341.408 -1.255 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COCCO1)N1CCOC[C@@H]1C1CC1 ZINC001123870293 792958226 /nfs/dbraw/zinc/95/82/26/792958226.db2.gz PZOAFZQGZJGKTI-KGLIPLIRSA-N 1 0 341.408 -1.255 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COCCO1)N1CCOC[C@H]1C1CC1 ZINC001123870294 792959139 /nfs/dbraw/zinc/95/91/39/792959139.db2.gz PZOAFZQGZJGKTI-UONOGXRCSA-N 1 0 341.408 -1.255 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COCCO1)N1CCOC[C@@H]1C1CC1 ZINC001123870295 792958696 /nfs/dbraw/zinc/95/86/96/792958696.db2.gz PZOAFZQGZJGKTI-ZIAGYGMSSA-N 1 0 341.408 -1.255 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123870316 792958020 /nfs/dbraw/zinc/95/80/20/792958020.db2.gz QKSXUHOFTMSHHC-LLVKDONJSA-N 1 0 344.412 -1.862 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123870317 792958770 /nfs/dbraw/zinc/95/87/70/792958770.db2.gz QKSXUHOFTMSHHC-NSHDSACASA-N 1 0 344.412 -1.862 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COCCO1)NC(=O)NC1CCCC1 ZINC001123870393 792959165 /nfs/dbraw/zinc/95/91/65/792959165.db2.gz SBRGVLPKOZTZAC-GFCCVEGCSA-N 1 0 342.396 -1.124 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COCCO1)NC(=O)NC1CCCC1 ZINC001123870394 792958401 /nfs/dbraw/zinc/95/84/01/792958401.db2.gz SBRGVLPKOZTZAC-LBPRGKRZSA-N 1 0 342.396 -1.124 20 0 EAADRO CCc1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)[nH]n1 ZINC001123876174 792960963 /nfs/dbraw/zinc/96/09/63/792960963.db2.gz DALFOFGKTRYOHX-UHFFFAOYSA-N 1 0 334.380 -1.111 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@@H]2COCCO2)C1 ZINC001123877081 792960161 /nfs/dbraw/zinc/96/01/61/792960161.db2.gz OPVMDERHIVRFQD-NEPJUHHUSA-N 1 0 335.426 -1.611 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@H]2COCCO2)C1 ZINC001123877082 792961214 /nfs/dbraw/zinc/96/12/14/792961214.db2.gz OPVMDERHIVRFQD-NWDGAFQWSA-N 1 0 335.426 -1.611 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@@H]2COCCO2)C1 ZINC001123877083 792960640 /nfs/dbraw/zinc/96/06/40/792960640.db2.gz OPVMDERHIVRFQD-RYUDHWBXSA-N 1 0 335.426 -1.611 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@H]2COCCO2)C1 ZINC001123877084 792960509 /nfs/dbraw/zinc/96/05/09/792960509.db2.gz OPVMDERHIVRFQD-VXGBXAGGSA-N 1 0 335.426 -1.611 20 0 EAADRO CCc1cc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[nH]n1 ZINC001123877157 792961447 /nfs/dbraw/zinc/96/14/47/792961447.db2.gz QFWWXJHIBUMPRN-JTQLQIEISA-N 1 0 338.412 -1.116 20 0 EAADRO CCc1cc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[nH]n1 ZINC001123877159 792960022 /nfs/dbraw/zinc/96/00/22/792960022.db2.gz QFWWXJHIBUMPRN-SNVBAGLBSA-N 1 0 338.412 -1.116 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3COCCO3)C2=O)n1 ZINC001123882738 792961112 /nfs/dbraw/zinc/96/11/12/792961112.db2.gz BMYKYVHPSYNKIY-NEPJUHHUSA-N 1 0 337.380 -1.353 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3COCCO3)C2=O)n1 ZINC001123882739 792959998 /nfs/dbraw/zinc/95/99/98/792959998.db2.gz BMYKYVHPSYNKIY-NWDGAFQWSA-N 1 0 337.380 -1.353 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3COCCO3)C2=O)n1 ZINC001123882740 792961367 /nfs/dbraw/zinc/96/13/67/792961367.db2.gz BMYKYVHPSYNKIY-RYUDHWBXSA-N 1 0 337.380 -1.353 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3COCCO3)C2=O)n1 ZINC001123882741 792961195 /nfs/dbraw/zinc/96/11/95/792961195.db2.gz BMYKYVHPSYNKIY-VXGBXAGGSA-N 1 0 337.380 -1.353 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123882748 792960496 /nfs/dbraw/zinc/96/04/96/792960496.db2.gz BRIZVMSHBNFRJB-JTQLQIEISA-N 1 0 330.385 -1.268 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123882749 792960913 /nfs/dbraw/zinc/96/09/13/792960913.db2.gz BRIZVMSHBNFRJB-SNVBAGLBSA-N 1 0 330.385 -1.268 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3COCCO3)C2=O)cn1 ZINC001123882910 792961042 /nfs/dbraw/zinc/96/10/42/792961042.db2.gz GNLBLFHFSOTUAA-CHWSQXEVSA-N 1 0 337.380 -1.353 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3COCCO3)C2=O)cn1 ZINC001123882911 792959977 /nfs/dbraw/zinc/95/99/77/792959977.db2.gz GNLBLFHFSOTUAA-OLZOCXBDSA-N 1 0 337.380 -1.353 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3COCCO3)C2=O)cn1 ZINC001123882912 792960235 /nfs/dbraw/zinc/96/02/35/792960235.db2.gz GNLBLFHFSOTUAA-QWHCGFSZSA-N 1 0 337.380 -1.353 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3COCCO3)C2=O)cn1 ZINC001123882913 792961353 /nfs/dbraw/zinc/96/13/53/792961353.db2.gz GNLBLFHFSOTUAA-STQMWFEESA-N 1 0 337.380 -1.353 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123882948 792960827 /nfs/dbraw/zinc/96/08/27/792960827.db2.gz HICNYIYZVIBIIO-LLVKDONJSA-N 1 0 330.385 -1.411 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123882949 792960432 /nfs/dbraw/zinc/96/04/32/792960432.db2.gz HICNYIYZVIBIIO-NSHDSACASA-N 1 0 330.385 -1.411 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@H]1COCCO1 ZINC001123883112 792961292 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COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123883854 786030151 /nfs/dbraw/zinc/03/01/51/786030151.db2.gz RFHURDJKBIGQSF-GFCCVEGCSA-N 1 0 338.426 -1.441 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123883857 786030201 /nfs/dbraw/zinc/03/02/01/786030201.db2.gz RFHURDJKBIGQSF-LBPRGKRZSA-N 1 0 338.426 -1.441 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2COCCO2)CC1 ZINC001123884113 792960484 /nfs/dbraw/zinc/96/04/84/792960484.db2.gz VAHRFEJTMFMVBB-GFCCVEGCSA-N 1 0 342.396 -2.169 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2COCCO2)CC1 ZINC001123884116 792960386 /nfs/dbraw/zinc/96/03/86/792960386.db2.gz VAHRFEJTMFMVBB-LBPRGKRZSA-N 1 0 342.396 -2.169 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123884238 792960939 /nfs/dbraw/zinc/96/09/39/792960939.db2.gz WRLYNXADYYXRAS-CYBMUJFWSA-N 1 0 339.396 -1.500 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123884239 792960584 /nfs/dbraw/zinc/96/05/84/792960584.db2.gz WRLYNXADYYXRAS-ZDUSSCGKSA-N 1 0 339.396 -1.500 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)[C@H]2COCCO2)C1=O ZINC001123890752 792961182 /nfs/dbraw/zinc/96/11/82/792961182.db2.gz BNHSYBFHMOJNIQ-LLVKDONJSA-N 1 0 342.396 -1.172 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123890753 792960311 /nfs/dbraw/zinc/96/03/11/792960311.db2.gz BNHSYBFHMOJNIQ-NSHDSACASA-N 1 0 342.396 -1.172 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890805 792960415 /nfs/dbraw/zinc/96/04/15/792960415.db2.gz CZMUSKQFVGVUMJ-NEPJUHHUSA-N 1 0 344.412 -1.022 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890806 792960713 /nfs/dbraw/zinc/96/07/13/792960713.db2.gz CZMUSKQFVGVUMJ-NWDGAFQWSA-N 1 0 344.412 -1.022 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890807 792961300 /nfs/dbraw/zinc/96/13/00/792961300.db2.gz CZMUSKQFVGVUMJ-RYUDHWBXSA-N 1 0 344.412 -1.022 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890808 792961332 /nfs/dbraw/zinc/96/13/32/792961332.db2.gz CZMUSKQFVGVUMJ-VXGBXAGGSA-N 1 0 344.412 -1.022 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890815 792960344 /nfs/dbraw/zinc/96/03/44/792960344.db2.gz DIENKHKTBZWWRL-GHMZBOCLSA-N 1 0 346.384 -2.032 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890816 792960895 /nfs/dbraw/zinc/96/08/95/792960895.db2.gz DIENKHKTBZWWRL-MNOVXSKESA-N 1 0 346.384 -2.032 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890817 792960173 /nfs/dbraw/zinc/96/01/73/792960173.db2.gz DIENKHKTBZWWRL-QWRGUYRKSA-N 1 0 346.384 -2.032 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890818 792960470 /nfs/dbraw/zinc/96/04/70/792960470.db2.gz DIENKHKTBZWWRL-WDEREUQCSA-N 1 0 346.384 -2.032 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2COCCO2)C1 ZINC001123890832 786030072 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CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890953 792961129 /nfs/dbraw/zinc/96/11/29/792961129.db2.gz HHIWCEKGOPWEDP-GHMZBOCLSA-N 1 0 330.385 -1.270 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890954 792960441 /nfs/dbraw/zinc/96/04/41/792960441.db2.gz HHIWCEKGOPWEDP-MNOVXSKESA-N 1 0 330.385 -1.270 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890955 792960741 /nfs/dbraw/zinc/96/07/41/792960741.db2.gz HHIWCEKGOPWEDP-QWRGUYRKSA-N 1 0 330.385 -1.270 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890956 792960807 /nfs/dbraw/zinc/96/08/07/792960807.db2.gz HHIWCEKGOPWEDP-WDEREUQCSA-N 1 0 330.385 -1.270 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123891034 792960697 /nfs/dbraw/zinc/96/06/97/792960697.db2.gz JKWCXQLMJLDYKU-LLVKDONJSA-N 1 0 330.385 -1.267 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123891035 792961074 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O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1COCCO1 ZINC001123891563 792960777 /nfs/dbraw/zinc/96/07/77/792960777.db2.gz QPSDPGZSSYPZMY-JSGCOSHPSA-N 1 0 332.397 -1.336 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1COCCO1 ZINC001123891564 792960535 /nfs/dbraw/zinc/96/05/35/792960535.db2.gz QPSDPGZSSYPZMY-OCCSQVGLSA-N 1 0 332.397 -1.336 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1COCCO1 ZINC001123891565 792960547 /nfs/dbraw/zinc/96/05/47/792960547.db2.gz QPSDPGZSSYPZMY-TZMCWYRMSA-N 1 0 332.397 -1.336 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COCCO1)NCC(=O)N1CCCC1 ZINC001123891736 792960727 /nfs/dbraw/zinc/96/07/27/792960727.db2.gz SINQNEQZTHGIAF-GFCCVEGCSA-N 1 0 342.396 -2.154 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COCCO1)NCC(=O)N1CCCC1 ZINC001123891737 792960750 /nfs/dbraw/zinc/96/07/50/792960750.db2.gz SINQNEQZTHGIAF-LBPRGKRZSA-N 1 0 342.396 -2.154 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@H]2COCCO2)cc(=O)n(C)c1=O ZINC001123891738 792960519 /nfs/dbraw/zinc/96/05/19/792960519.db2.gz SKEZKQALZFEDFJ-LLVKDONJSA-N 1 0 326.353 -2.295 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2COCCO2)cc(=O)n(C)c1=O ZINC001123891739 792960457 /nfs/dbraw/zinc/96/04/57/792960457.db2.gz SKEZKQALZFEDFJ-NSHDSACASA-N 1 0 326.353 -2.295 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1)C(=O)N(C)C ZINC001123891909 792959933 /nfs/dbraw/zinc/95/99/33/792959933.db2.gz UTAAVTLMUFPCLC-GHMZBOCLSA-N 1 0 330.385 -2.300 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1)C(=O)N(C)C ZINC001123891910 792960794 /nfs/dbraw/zinc/96/07/94/792960794.db2.gz UTAAVTLMUFPCLC-MNOVXSKESA-N 1 0 330.385 -2.300 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1)C(=O)N(C)C ZINC001123891911 792960881 /nfs/dbraw/zinc/96/08/81/792960881.db2.gz UTAAVTLMUFPCLC-QWRGUYRKSA-N 1 0 330.385 -2.300 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1)C(=O)N(C)C ZINC001123891912 792960926 /nfs/dbraw/zinc/96/09/26/792960926.db2.gz UTAAVTLMUFPCLC-WDEREUQCSA-N 1 0 330.385 -2.300 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1COCCO1)C(=O)NC(=O)NC1CC1 ZINC001123892331 792961400 /nfs/dbraw/zinc/96/14/00/792961400.db2.gz XSDDWOVJNBOZNF-GXSJLCMTSA-N 1 0 328.369 -1.516 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1COCCO1)C(=O)NC(=O)NC1CC1 ZINC001123892334 792961258 /nfs/dbraw/zinc/96/12/58/792961258.db2.gz XSDDWOVJNBOZNF-KOLCDFICSA-N 1 0 328.369 -1.516 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1COCCO1)C(=O)NC(=O)NC1CC1 ZINC001123892335 792961146 /nfs/dbraw/zinc/96/11/46/792961146.db2.gz XSDDWOVJNBOZNF-MWLCHTKSSA-N 1 0 328.369 -1.516 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1COCCO1)C(=O)NC(=O)NC1CC1 ZINC001123892337 792960097 /nfs/dbraw/zinc/96/00/97/792960097.db2.gz XSDDWOVJNBOZNF-ONGXEEELSA-N 1 0 328.369 -1.516 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123892421 792960540 /nfs/dbraw/zinc/96/05/40/792960540.db2.gz YFPPXHMYNPCZPH-JTQLQIEISA-N 1 0 328.369 -1.562 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@H]2COCCO2)C1=O ZINC001123892423 792959961 /nfs/dbraw/zinc/95/99/61/792959961.db2.gz YFPPXHMYNPCZPH-SNVBAGLBSA-N 1 0 328.369 -1.562 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)c2ccn[nH]2)cn1 ZINC001123897393 792960981 /nfs/dbraw/zinc/96/09/81/792960981.db2.gz BGJJIIHZAFOQPH-UHFFFAOYSA-N 1 0 348.367 -1.690 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC001123897620 792960362 /nfs/dbraw/zinc/96/03/62/792960362.db2.gz KIYRXBCMKYHFLF-UHFFFAOYSA-N 1 0 336.396 -1.144 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC001123897907 792960843 /nfs/dbraw/zinc/96/08/43/792960843.db2.gz QKYAAZVQHPUUSM-GFCCVEGCSA-N 1 0 336.396 -1.144 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC001123897908 792961093 /nfs/dbraw/zinc/96/10/93/792961093.db2.gz QKYAAZVQHPUUSM-LBPRGKRZSA-N 1 0 336.396 -1.144 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccn[nH]1)NC[C@@H]1CCS(=O)(=O)C1 ZINC001123898214 792961383 /nfs/dbraw/zinc/96/13/83/792961383.db2.gz WUSJCKYMLOOVOE-JTQLQIEISA-N 1 0 343.409 -1.720 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccn[nH]1)NC[C@H]1CCS(=O)(=O)C1 ZINC001123898215 792961012 /nfs/dbraw/zinc/96/10/12/792961012.db2.gz WUSJCKYMLOOVOE-SNVBAGLBSA-N 1 0 343.409 -1.720 20 0 EAADRO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)c2ccn[nH]2)cn1 ZINC001123903956 792960784 /nfs/dbraw/zinc/96/07/84/792960784.db2.gz FXWDUUIMUFITJD-UHFFFAOYSA-N 1 0 341.397 -1.559 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001123904106 792960767 /nfs/dbraw/zinc/96/07/67/792960767.db2.gz MYOAYEWSAFPXHX-GHMZBOCLSA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001123904107 792961164 /nfs/dbraw/zinc/96/11/64/792961164.db2.gz MYOAYEWSAFPXHX-MNOVXSKESA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001123904108 792961276 /nfs/dbraw/zinc/96/12/76/792961276.db2.gz MYOAYEWSAFPXHX-QWRGUYRKSA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001123904109 792960597 /nfs/dbraw/zinc/96/05/97/792960597.db2.gz MYOAYEWSAFPXHX-WDEREUQCSA-N 1 0 336.396 -1.159 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123904178 792962232 /nfs/dbraw/zinc/96/22/32/792962232.db2.gz QNYSGJNLXQUODG-UHFFFAOYSA-N 1 0 333.414 -1.315 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccn[nH]1)N1CCN(C(=O)C2CC2)CC1 ZINC001123910739 792962416 /nfs/dbraw/zinc/96/24/16/792962416.db2.gz DGBPSKUOZWPHNQ-UHFFFAOYSA-N 1 0 348.407 -1.190 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)C(=O)N1CCC(C(N)=O)CC1 ZINC001123911127 792962253 /nfs/dbraw/zinc/96/22/53/792962253.db2.gz KEBIQYVQKGQELR-JTQLQIEISA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)C(=O)N1CCC(C(N)=O)CC1 ZINC001123911128 792963316 /nfs/dbraw/zinc/96/33/16/792963316.db2.gz KEBIQYVQKGQELR-SNVBAGLBSA-N 1 0 336.396 -1.159 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123911342 792963009 /nfs/dbraw/zinc/96/30/09/792963009.db2.gz MTJDVPWEBZKEFG-SECBINFHSA-N 1 0 326.357 -1.410 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123911343 792962599 /nfs/dbraw/zinc/96/25/99/792962599.db2.gz MTJDVPWEBZKEFG-VIFPVBQESA-N 1 0 326.357 -1.410 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccn[nH]1)NCCCN1CCCC1=O ZINC001123911361 792962352 /nfs/dbraw/zinc/96/23/52/792962352.db2.gz NIZJETFMPPVMBE-UHFFFAOYSA-N 1 0 336.396 -1.142 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC001123911363 792962562 /nfs/dbraw/zinc/96/25/62/792962562.db2.gz NKUMSDKTQLYYHT-LLVKDONJSA-N 1 0 336.396 -1.192 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC001123911367 792962530 /nfs/dbraw/zinc/96/25/30/792962530.db2.gz NKUMSDKTQLYYHT-NSHDSACASA-N 1 0 336.396 -1.192 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC001123912252 792962312 /nfs/dbraw/zinc/96/23/12/792962312.db2.gz VULLAEGSQABBHD-UHFFFAOYSA-N 1 0 336.396 -1.286 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001123912269 792962109 /nfs/dbraw/zinc/96/21/09/792962109.db2.gz WFDSEKISJVNGRG-JTQLQIEISA-N 1 0 343.409 -1.625 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001123912273 792961941 /nfs/dbraw/zinc/96/19/41/792961941.db2.gz WFDSEKISJVNGRG-SNVBAGLBSA-N 1 0 343.409 -1.625 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)n1cccn1 ZINC001123924113 792963170 /nfs/dbraw/zinc/96/31/70/792963170.db2.gz KUUXZFMBCGFHNN-NEPJUHHUSA-N 1 0 337.380 -1.340 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)n1cccn1 ZINC001123924114 792962977 /nfs/dbraw/zinc/96/29/77/792962977.db2.gz KUUXZFMBCGFHNN-NWDGAFQWSA-N 1 0 337.380 -1.340 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)n1cccn1 ZINC001123924117 792962880 /nfs/dbraw/zinc/96/28/80/792962880.db2.gz KUUXZFMBCGFHNN-RYUDHWBXSA-N 1 0 337.380 -1.340 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)n1cccn1 ZINC001123924120 792962324 /nfs/dbraw/zinc/96/23/24/792962324.db2.gz KUUXZFMBCGFHNN-VXGBXAGGSA-N 1 0 337.380 -1.340 20 0 EAADRO COC(OC)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001123924213 792962860 /nfs/dbraw/zinc/96/28/60/792962860.db2.gz KJYLPWBQYYRPTI-CHWSQXEVSA-N 1 0 340.424 -1.336 20 0 EAADRO COC(OC)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001123924222 792963458 /nfs/dbraw/zinc/96/34/58/792963458.db2.gz KJYLPWBQYYRPTI-OLZOCXBDSA-N 1 0 340.424 -1.336 20 0 EAADRO COC(OC)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001123924225 792962888 /nfs/dbraw/zinc/96/28/88/792962888.db2.gz KJYLPWBQYYRPTI-QWHCGFSZSA-N 1 0 340.424 -1.336 20 0 EAADRO COC(OC)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001123924228 792962435 /nfs/dbraw/zinc/96/24/35/792962435.db2.gz KJYLPWBQYYRPTI-STQMWFEESA-N 1 0 340.424 -1.336 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)n1cccn1 ZINC001123929463 792962831 /nfs/dbraw/zinc/96/28/31/792962831.db2.gz BSNIHAKREXMDNL-LLVKDONJSA-N 1 0 334.380 -1.253 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)n1cccn1 ZINC001123929464 792962546 /nfs/dbraw/zinc/96/25/46/792962546.db2.gz BSNIHAKREXMDNL-NSHDSACASA-N 1 0 334.380 -1.253 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H](C)n1cccn1)C(=O)N(C)C ZINC001123932211 792962512 /nfs/dbraw/zinc/96/25/12/792962512.db2.gz YGYBJWDNLAZRMG-NEPJUHHUSA-N 1 0 338.412 -1.257 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)n1cccn1 ZINC001123932213 792963362 /nfs/dbraw/zinc/96/33/62/792963362.db2.gz YGYBJWDNLAZRMG-NWDGAFQWSA-N 1 0 338.412 -1.257 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H](C)n1cccn1)C(=O)N(C)C ZINC001123932215 792962613 /nfs/dbraw/zinc/96/26/13/792962613.db2.gz YGYBJWDNLAZRMG-RYUDHWBXSA-N 1 0 338.412 -1.257 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H](C)n1cccn1)C(=O)N(C)C ZINC001123932217 792963281 /nfs/dbraw/zinc/96/32/81/792963281.db2.gz YGYBJWDNLAZRMG-VXGBXAGGSA-N 1 0 338.412 -1.257 20 0 EAADRO CCOCCS(=O)(=O)NCC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001123951869 786031302 /nfs/dbraw/zinc/03/13/02/786031302.db2.gz ABULSWVTJXSFFQ-CYBMUJFWSA-N 1 0 337.442 -1.533 20 0 EAADRO CCOCCS(=O)(=O)NCC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001123951874 786031436 /nfs/dbraw/zinc/03/14/36/786031436.db2.gz ABULSWVTJXSFFQ-ZDUSSCGKSA-N 1 0 337.442 -1.533 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001123962060 792962024 /nfs/dbraw/zinc/96/20/24/792962024.db2.gz BTRQINHEUITJCL-NEPJUHHUSA-N 1 0 349.453 -1.332 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001123962062 792961968 /nfs/dbraw/zinc/96/19/68/792961968.db2.gz BTRQINHEUITJCL-NWDGAFQWSA-N 1 0 349.453 -1.332 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001123962064 792962074 /nfs/dbraw/zinc/96/20/74/792962074.db2.gz BTRQINHEUITJCL-RYUDHWBXSA-N 1 0 349.453 -1.332 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001123962067 792962758 /nfs/dbraw/zinc/96/27/58/792962758.db2.gz BTRQINHEUITJCL-VXGBXAGGSA-N 1 0 349.453 -1.332 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001123969513 792962460 /nfs/dbraw/zinc/96/24/60/792962460.db2.gz YDWWFDAYRSFONU-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001123969514 792962739 /nfs/dbraw/zinc/96/27/39/792962739.db2.gz YDWWFDAYRSFONU-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001123973924 792963085 /nfs/dbraw/zinc/96/30/85/792963085.db2.gz BUHNIOIQNYHYGQ-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001123973925 792962181 /nfs/dbraw/zinc/96/21/81/792962181.db2.gz BUHNIOIQNYHYGQ-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001123973926 792962676 /nfs/dbraw/zinc/96/26/76/792962676.db2.gz BUHNIOIQNYHYGQ-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001123973927 792962210 /nfs/dbraw/zinc/96/22/10/792962210.db2.gz BUHNIOIQNYHYGQ-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001123974188 792961989 /nfs/dbraw/zinc/96/19/89/792961989.db2.gz IFNHJPBBESYWTM-NEPJUHHUSA-N 1 0 328.413 -1.159 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001123974189 792963066 /nfs/dbraw/zinc/96/30/66/792963066.db2.gz IFNHJPBBESYWTM-NWDGAFQWSA-N 1 0 328.413 -1.159 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001123974190 792963155 /nfs/dbraw/zinc/96/31/55/792963155.db2.gz IFNHJPBBESYWTM-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001123974191 792962957 /nfs/dbraw/zinc/96/29/57/792962957.db2.gz IFNHJPBBESYWTM-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001123974236 792963302 /nfs/dbraw/zinc/96/33/02/792963302.db2.gz JEHCPUJWVVLXQN-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001123974237 792962785 /nfs/dbraw/zinc/96/27/85/792962785.db2.gz JEHCPUJWVVLXQN-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001123974556 792962690 /nfs/dbraw/zinc/96/26/90/792962690.db2.gz NOADXRBFCRDVRR-LLVKDONJSA-N 1 0 347.441 -1.171 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001123974557 792962389 /nfs/dbraw/zinc/96/23/89/792962389.db2.gz NOADXRBFCRDVRR-NSHDSACASA-N 1 0 347.441 -1.171 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001123981090 792963219 /nfs/dbraw/zinc/96/32/19/792963219.db2.gz JKJNPOWWCFVYKK-GHMZBOCLSA-N 1 0 332.401 -1.022 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001123981091 792962847 /nfs/dbraw/zinc/96/28/47/792962847.db2.gz JKJNPOWWCFVYKK-MNOVXSKESA-N 1 0 332.401 -1.022 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001123981092 792963180 /nfs/dbraw/zinc/96/31/80/792963180.db2.gz JKJNPOWWCFVYKK-QWRGUYRKSA-N 1 0 332.401 -1.022 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001123981093 792962096 /nfs/dbraw/zinc/96/20/96/792962096.db2.gz JKJNPOWWCFVYKK-WDEREUQCSA-N 1 0 332.401 -1.022 20 0 EAADRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001123981188 792962369 /nfs/dbraw/zinc/96/23/69/792962369.db2.gz MAALYJIZMWITCK-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001123981189 792962291 /nfs/dbraw/zinc/96/22/91/792962291.db2.gz MAALYJIZMWITCK-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(C)COCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001123981507 792962339 /nfs/dbraw/zinc/96/23/39/792962339.db2.gz UWXSYELBTPUPBR-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CCCO2)CC1 ZINC001124009681 792962059 /nfs/dbraw/zinc/96/20/59/792962059.db2.gz NPHMUCSJZFPYGG-CYBMUJFWSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CCCO2)CC1 ZINC001124009682 792963201 /nfs/dbraw/zinc/96/32/01/792963201.db2.gz 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COC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001124177495 792971336 /nfs/dbraw/zinc/97/13/36/792971336.db2.gz VULGXPLGLRBRFW-JTQLQIEISA-N 1 0 336.414 -1.670 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001124177498 792970450 /nfs/dbraw/zinc/97/04/50/792970450.db2.gz VULGXPLGLRBRFW-SNVBAGLBSA-N 1 0 336.414 -1.670 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cnns1 ZINC001124177568 792971414 /nfs/dbraw/zinc/97/14/14/792971414.db2.gz XUNJRFTZDFUCKN-MRVPVSSYSA-N 1 0 327.366 -1.633 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cnns1 ZINC001124177569 792970692 /nfs/dbraw/zinc/97/06/92/792970692.db2.gz XUNJRFTZDFUCKN-QMMMGPOBSA-N 1 0 327.366 -1.633 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cnns2)CC1 ZINC001124181257 792970392 /nfs/dbraw/zinc/97/03/92/792970392.db2.gz CUZFRTTXNCWAIR-UHFFFAOYSA-N 1 0 340.409 -1.452 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1cnns1 ZINC001124181347 786034711 /nfs/dbraw/zinc/03/47/11/786034711.db2.gz FCCJKRWMUOZBPY-UHFFFAOYSA-N 1 0 342.425 -1.158 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cnns2)C1 ZINC001124181393 786034793 /nfs/dbraw/zinc/03/47/93/786034793.db2.gz FUYWVISKLULSGY-SECBINFHSA-N 1 0 340.409 -1.419 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cnns2)C1 ZINC001124181394 792971093 /nfs/dbraw/zinc/97/10/93/792971093.db2.gz FUYWVISKLULSGY-VIFPVBQESA-N 1 0 340.409 -1.419 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnns1)NCC(=O)N1CCCC1 ZINC001124182171 792970610 /nfs/dbraw/zinc/97/06/10/792970610.db2.gz SQIUABCGGPRZLX-UHFFFAOYSA-N 1 0 340.409 -1.404 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cnns1)C(=O)N(C)C ZINC001124182430 792970700 /nfs/dbraw/zinc/97/07/00/792970700.db2.gz XLDDAERVUWEJMI-MRVPVSSYSA-N 1 0 328.398 -1.550 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cnns1)C(=O)N(C)C ZINC001124182431 792971214 /nfs/dbraw/zinc/97/12/14/792971214.db2.gz XLDDAERVUWEJMI-QMMMGPOBSA-N 1 0 328.398 -1.550 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnns1 ZINC001124182475 792970483 /nfs/dbraw/zinc/97/04/83/792970483.db2.gz ZDLOLLVNXYNREZ-MRVPVSSYSA-N 1 0 344.397 -1.282 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnns1 ZINC001124182476 792971299 /nfs/dbraw/zinc/97/12/99/792971299.db2.gz ZDLOLLVNXYNREZ-QMMMGPOBSA-N 1 0 344.397 -1.282 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186203 792971347 /nfs/dbraw/zinc/97/13/47/792971347.db2.gz AKNGTYCGYRBQQB-UHFFFAOYSA-N 1 0 345.400 -1.967 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186210 792970362 /nfs/dbraw/zinc/97/03/62/792970362.db2.gz AVNAIRPCZXDVMI-SECBINFHSA-N 1 0 347.372 -2.091 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186214 792970762 /nfs/dbraw/zinc/97/07/62/792970762.db2.gz AVNAIRPCZXDVMI-VIFPVBQESA-N 1 0 347.372 -2.091 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001124186302 792970587 /nfs/dbraw/zinc/97/05/87/792970587.db2.gz DYCMRGCTQVXUMX-LLVKDONJSA-N 1 0 333.385 -1.395 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001124186303 792970524 /nfs/dbraw/zinc/97/05/24/792970524.db2.gz DYCMRGCTQVXUMX-NSHDSACASA-N 1 0 333.385 -1.395 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001124186325 792970224 /nfs/dbraw/zinc/97/02/24/792970224.db2.gz FLKZFPIESOWKIK-UHFFFAOYSA-N 1 0 343.384 -2.213 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186443 792970250 /nfs/dbraw/zinc/97/02/50/792970250.db2.gz IARLIKRQROCNGT-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186444 792971432 /nfs/dbraw/zinc/97/14/32/792971432.db2.gz IARLIKRQROCNGT-NSHDSACASA-N 1 0 332.401 -1.021 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001124186451 792970996 /nfs/dbraw/zinc/97/09/96/792970996.db2.gz ISPIDNHRIBZFHR-SECBINFHSA-N 1 0 331.373 -2.359 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001124186452 792970465 /nfs/dbraw/zinc/97/04/65/792970465.db2.gz ISPIDNHRIBZFHR-VIFPVBQESA-N 1 0 331.373 -2.359 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001124186469 792970201 /nfs/dbraw/zinc/97/02/01/792970201.db2.gz JFMUJXKGUJDGKN-SECBINFHSA-N 1 0 331.373 -1.329 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001124186470 792970408 /nfs/dbraw/zinc/97/04/08/792970408.db2.gz JFMUJXKGUJDGKN-VIFPVBQESA-N 1 0 331.373 -1.329 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001124186475 792970329 /nfs/dbraw/zinc/97/03/29/792970329.db2.gz JITUUNFJOREFTN-NEPJUHHUSA-N 1 0 333.385 -1.395 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001124186476 792971468 /nfs/dbraw/zinc/97/14/68/792971468.db2.gz JITUUNFJOREFTN-NWDGAFQWSA-N 1 0 333.385 -1.395 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001124186477 792970110 /nfs/dbraw/zinc/97/01/10/792970110.db2.gz JITUUNFJOREFTN-RYUDHWBXSA-N 1 0 333.385 -1.395 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001124186478 792971230 /nfs/dbraw/zinc/97/12/30/792971230.db2.gz JITUUNFJOREFTN-VXGBXAGGSA-N 1 0 333.385 -1.395 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001124186620 792970433 /nfs/dbraw/zinc/97/04/33/792970433.db2.gz LKPYKYOJERNEEJ-UHFFFAOYSA-N 1 0 343.384 -1.231 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186623 792972151 /nfs/dbraw/zinc/97/21/51/792972151.db2.gz LSQDDUOLXFIFDA-UHFFFAOYSA-N 1 0 331.373 -1.326 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001124186633 792972060 /nfs/dbraw/zinc/97/20/60/792972060.db2.gz LZLRGDNUEAYJKI-GHMZBOCLSA-N 1 0 330.385 -1.316 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001124186634 792972171 /nfs/dbraw/zinc/97/21/71/792972171.db2.gz LZLRGDNUEAYJKI-PHIMTYICSA-N 1 0 330.385 -1.316 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001124186635 792973251 /nfs/dbraw/zinc/97/32/51/792973251.db2.gz LZLRGDNUEAYJKI-QWRGUYRKSA-N 1 0 330.385 -1.316 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001124186636 792972545 /nfs/dbraw/zinc/97/25/45/792972545.db2.gz MAJROZPIDBTJSQ-UHFFFAOYSA-N 1 0 326.357 -1.271 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001124186647 792972210 /nfs/dbraw/zinc/97/22/10/792972210.db2.gz MOHTTWLYKOIPEA-JTQLQIEISA-N 1 0 345.400 -1.082 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001124186648 792973145 /nfs/dbraw/zinc/97/31/45/792973145.db2.gz MOHTTWLYKOIPEA-SNVBAGLBSA-N 1 0 345.400 -1.082 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001124186666 792972606 /nfs/dbraw/zinc/97/26/06/792972606.db2.gz NHKZWLUSTRNRPY-UHFFFAOYSA-N 1 0 329.357 -1.621 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001124186736 792973390 /nfs/dbraw/zinc/97/33/90/792973390.db2.gz ORXPINZRSIJILO-UHFFFAOYSA-N 1 0 343.384 -2.261 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)NCCCOC(C)C ZINC001124186835 792972430 /nfs/dbraw/zinc/97/24/30/792972430.db2.gz QTSKKVOKKCCGDP-UHFFFAOYSA-N 1 0 332.401 -1.021 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124186875 792973367 /nfs/dbraw/zinc/97/33/67/792973367.db2.gz RWHCXESBINKMEI-JTQLQIEISA-N 1 0 343.384 -2.228 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124186877 792973339 /nfs/dbraw/zinc/97/33/39/792973339.db2.gz RWHCXESBINKMEI-SNVBAGLBSA-N 1 0 343.384 -2.228 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001124186961 792972190 /nfs/dbraw/zinc/97/21/90/792972190.db2.gz VJCOJJVIXIZIAY-GHMZBOCLSA-N 1 0 330.385 -1.268 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001124186962 792972926 /nfs/dbraw/zinc/97/29/26/792972926.db2.gz VJCOJJVIXIZIAY-MNOVXSKESA-N 1 0 330.385 -1.268 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001124186963 792973346 /nfs/dbraw/zinc/97/33/46/792973346.db2.gz VJCOJJVIXIZIAY-QWRGUYRKSA-N 1 0 330.385 -1.268 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001124186964 792973083 /nfs/dbraw/zinc/97/30/83/792973083.db2.gz VJCOJJVIXIZIAY-WDEREUQCSA-N 1 0 330.385 -1.268 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001124187089 792972647 /nfs/dbraw/zinc/97/26/47/792972647.db2.gz XLHWEYCTPZJIIM-MRVPVSSYSA-N 1 0 329.357 -1.575 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001124187092 792972277 /nfs/dbraw/zinc/97/22/77/792972277.db2.gz XLHWEYCTPZJIIM-QMMMGPOBSA-N 1 0 329.357 -1.575 20 0 EAADRO COC(=O)NCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001124187165 786034917 /nfs/dbraw/zinc/03/49/17/786034917.db2.gz ZTPBPDVXPUEWEC-UHFFFAOYSA-N 1 0 327.341 -2.354 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccon1)NC[C@@H]1CCS(=O)(=O)C1 ZINC001124191813 792972010 /nfs/dbraw/zinc/97/20/10/792972010.db2.gz RGRFLDRPSUEHDQ-JTQLQIEISA-N 1 0 344.393 -1.455 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccon1)NC[C@H]1CCS(=O)(=O)C1 ZINC001124191814 792972745 /nfs/dbraw/zinc/97/27/45/792972745.db2.gz RGRFLDRPSUEHDQ-SNVBAGLBSA-N 1 0 344.393 -1.455 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1ccon1 ZINC001124191869 792973065 /nfs/dbraw/zinc/97/30/65/792973065.db2.gz UJRAGUXJJIOXIU-UHFFFAOYSA-N 1 0 325.369 -1.021 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1ccon1)[C@H]1CCS(=O)(=O)C1 ZINC001124192144 792972256 /nfs/dbraw/zinc/97/22/56/792972256.db2.gz YUNWDSCRHBGYRP-JTQLQIEISA-N 1 0 344.393 -1.361 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1ccon1)[C@@H]1CCS(=O)(=O)C1 ZINC001124192145 792972120 /nfs/dbraw/zinc/97/21/20/792972120.db2.gz YUNWDSCRHBGYRP-SNVBAGLBSA-N 1 0 344.393 -1.361 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccon1 ZINC001124196763 792972724 /nfs/dbraw/zinc/97/27/24/792972724.db2.gz BLEYEOSXSAHUTL-SECBINFHSA-N 1 0 327.341 -1.145 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccon1 ZINC001124196766 792972630 /nfs/dbraw/zinc/97/26/30/792972630.db2.gz BLEYEOSXSAHUTL-VIFPVBQESA-N 1 0 327.341 -1.145 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2ccon2)CC1 ZINC001124197700 792972784 /nfs/dbraw/zinc/97/27/84/792972784.db2.gz MVHMBBRRXNNHSB-UHFFFAOYSA-N 1 0 337.380 -1.021 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)c2ccon2)cn1 ZINC001124201029 792971995 /nfs/dbraw/zinc/97/19/95/792971995.db2.gz QDTDMXUNGYAPOK-UHFFFAOYSA-N 1 0 349.351 -1.425 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccon1 ZINC001124204622 792972840 /nfs/dbraw/zinc/97/28/40/792972840.db2.gz AQAHKPQDXKSPBX-UHFFFAOYSA-N 1 0 334.398 -1.050 20 0 EAADRO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)c2ccon2)cn1 ZINC001124205480 792971976 /nfs/dbraw/zinc/97/19/76/792971976.db2.gz VNKLLRZZKHWOAU-UHFFFAOYSA-N 1 0 342.381 -1.294 20 0 EAADRO CN(C[C@H](O)CNc1nccn2nnnc12)C(=O)[C@H]1CCC[N@@H+]1C ZINC001124206542 792971910 /nfs/dbraw/zinc/97/19/10/792971910.db2.gz AVPDHGHUNXCCTI-GHMZBOCLSA-N 1 0 334.384 -1.155 20 0 EAADRO CN(C[C@H](O)CNc1nccn2nnnc12)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001124206544 792973197 /nfs/dbraw/zinc/97/31/97/792973197.db2.gz AVPDHGHUNXCCTI-MNOVXSKESA-N 1 0 334.384 -1.155 20 0 EAADRO CN(C[C@@H](O)CNc1nccn2nnnc12)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001124206546 792972503 /nfs/dbraw/zinc/97/25/03/792972503.db2.gz AVPDHGHUNXCCTI-QWRGUYRKSA-N 1 0 334.384 -1.155 20 0 EAADRO CN(C[C@@H](O)CNc1nccn2nnnc12)C(=O)[C@H]1CCC[N@@H+]1C ZINC001124206547 792972961 /nfs/dbraw/zinc/97/29/61/792972961.db2.gz AVPDHGHUNXCCTI-WDEREUQCSA-N 1 0 334.384 -1.155 20 0 EAADRO CN(C[C@H](O)CNc1ccc2nnnn2n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001124208540 792973102 /nfs/dbraw/zinc/97/31/02/792973102.db2.gz XMMSJTBKLUIUJW-GHMZBOCLSA-N 1 0 334.384 -1.155 20 0 EAADRO CN(C[C@H](O)CNc1ccc2nnnn2n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001124208542 792972687 /nfs/dbraw/zinc/97/26/87/792972687.db2.gz XMMSJTBKLUIUJW-MNOVXSKESA-N 1 0 334.384 -1.155 20 0 EAADRO CN(C[C@@H](O)CNc1ccc2nnnn2n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001124208544 792972989 /nfs/dbraw/zinc/97/29/89/792972989.db2.gz XMMSJTBKLUIUJW-QWRGUYRKSA-N 1 0 334.384 -1.155 20 0 EAADRO 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CO[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001124298100 792977246 /nfs/dbraw/zinc/97/72/46/792977246.db2.gz PSCFWKUCWFUACR-MNOVXSKESA-N 1 0 335.426 -1.627 20 0 EAADRO CO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001124298101 792977087 /nfs/dbraw/zinc/97/70/87/792977087.db2.gz PSCFWKUCWFUACR-QWRGUYRKSA-N 1 0 335.426 -1.627 20 0 EAADRO CO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001124298102 792977215 /nfs/dbraw/zinc/97/72/15/792977215.db2.gz PSCFWKUCWFUACR-WDEREUQCSA-N 1 0 335.426 -1.627 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)nn1C ZINC001124304704 792979432 /nfs/dbraw/zinc/97/94/32/792979432.db2.gz CSJDNEJTIWMNBZ-LLVKDONJSA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)nn1C ZINC001124304705 792978648 /nfs/dbraw/zinc/97/86/48/792978648.db2.gz CSJDNEJTIWMNBZ-NSHDSACASA-N 1 0 337.380 -1.442 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124304707 792979328 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ZINC001124310319 792978673 /nfs/dbraw/zinc/97/86/73/792978673.db2.gz ALWLIPONCVSWLF-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001124310320 792978767 /nfs/dbraw/zinc/97/87/67/792978767.db2.gz ALWLIPONCVSWLF-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124310366 792978791 /nfs/dbraw/zinc/97/87/91/792978791.db2.gz CATWPLFMBVFXMH-LLVKDONJSA-N 1 0 342.396 -1.882 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124310369 792979054 /nfs/dbraw/zinc/97/90/54/792979054.db2.gz CATWPLFMBVFXMH-NSHDSACASA-N 1 0 342.396 -1.882 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001124310917 792979223 /nfs/dbraw/zinc/97/92/23/792979223.db2.gz JXMGMDVEVCMMNC-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124311438 792978826 /nfs/dbraw/zinc/97/88/26/792978826.db2.gz RXECUFFKPUHNTR-UHFFFAOYSA-N 1 0 327.385 -1.450 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001124311477 792979197 /nfs/dbraw/zinc/97/91/97/792979197.db2.gz SLOPXRWTPFYNTJ-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001124311556 792979294 /nfs/dbraw/zinc/97/92/94/792979294.db2.gz VFRSLNOWQSDMGN-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001124311557 792978928 /nfs/dbraw/zinc/97/89/28/792978928.db2.gz VFRSLNOWQSDMGN-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124311561 792978961 /nfs/dbraw/zinc/97/89/61/792978961.db2.gz VHONANHFAVVKMR-LBPRGKRZSA-N 1 0 328.413 -1.408 20 0 EAADRO CC(C)CO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124330299 792980560 /nfs/dbraw/zinc/98/05/60/792980560.db2.gz DYTDNEOBPSZHNM-GFCCVEGCSA-N 1 0 328.413 -1.288 20 0 EAADRO CC(C)CO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124330301 792980242 /nfs/dbraw/zinc/98/02/42/792980242.db2.gz 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EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001124344924 792982152 /nfs/dbraw/zinc/98/21/52/792982152.db2.gz PJULETHJBMYFFM-LLVKDONJSA-N 1 0 343.428 -1.799 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001124344926 792982166 /nfs/dbraw/zinc/98/21/66/792982166.db2.gz PJULETHJBMYFFM-NSHDSACASA-N 1 0 343.428 -1.799 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001124350581 792982292 /nfs/dbraw/zinc/98/22/92/792982292.db2.gz KMEQCSJOYJIMLY-JTQLQIEISA-N 1 0 329.401 -1.157 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001124350583 792982692 /nfs/dbraw/zinc/98/26/92/792982692.db2.gz KMEQCSJOYJIMLY-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO CCCC(=O)NCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001124350916 786037765 /nfs/dbraw/zinc/03/77/65/786037765.db2.gz QAPOXAHBHKYYGH-UHFFFAOYSA-N 1 0 328.413 -1.096 20 0 EAADRO CN(C[C@H](O)CNc1nccn2nnnc12)C(=O)C[NH+]1CCCC1 ZINC001124351536 792982210 /nfs/dbraw/zinc/98/22/10/792982210.db2.gz AUVOXAXEPRLXNJ-LLVKDONJSA-N 1 0 334.384 -1.154 20 0 EAADRO CN(C[C@@H](O)CNc1nccn2nnnc12)C(=O)C[NH+]1CCCC1 ZINC001124351537 792981579 /nfs/dbraw/zinc/98/15/79/792981579.db2.gz AUVOXAXEPRLXNJ-NSHDSACASA-N 1 0 334.384 -1.154 20 0 EAADRO CN(C[C@H](O)CNc1ccc2nnnn2n1)C(=O)C[NH+]1CCCC1 ZINC001124351742 792982618 /nfs/dbraw/zinc/98/26/18/792982618.db2.gz FCUUCEZKHAGWIQ-LLVKDONJSA-N 1 0 334.384 -1.154 20 0 EAADRO CN(C[C@@H](O)CNc1ccc2nnnn2n1)C(=O)C[NH+]1CCCC1 ZINC001124351743 792982673 /nfs/dbraw/zinc/98/26/73/792982673.db2.gz FCUUCEZKHAGWIQ-NSHDSACASA-N 1 0 334.384 -1.154 20 0 EAADRO CN(C[C@H](O)CNc1ncnc2c1nnn2C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001124353398 792981695 /nfs/dbraw/zinc/98/16/95/792981695.db2.gz WLFKLALMUXNWTR-GHMZBOCLSA-N 1 0 348.411 -1.059 20 0 EAADRO CN(C[C@@H](O)CNc1ncnc2c1nnn2C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001124353400 792981604 /nfs/dbraw/zinc/98/16/04/792981604.db2.gz WLFKLALMUXNWTR-MNOVXSKESA-N 1 0 348.411 -1.059 20 0 EAADRO CN(C[C@@H](O)CNc1ncnc2c1nnn2C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001124353403 792982478 /nfs/dbraw/zinc/98/24/78/792982478.db2.gz WLFKLALMUXNWTR-QWRGUYRKSA-N 1 0 348.411 -1.059 20 0 EAADRO CN(C[C@H](O)CNc1ncnc2c1nnn2C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001124353405 792981933 /nfs/dbraw/zinc/98/19/33/792981933.db2.gz WLFKLALMUXNWTR-WDEREUQCSA-N 1 0 348.411 -1.059 20 0 EAADRO CN(C[C@H](O)CNc1nccn2nnnc12)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001124353426 792981883 /nfs/dbraw/zinc/98/18/83/792981883.db2.gz WXBOGYDAHYJJKX-GHMZBOCLSA-N 1 0 334.384 -1.298 20 0 EAADRO CN(C[C@@H](O)CNc1nccn2nnnc12)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001124353427 792981561 /nfs/dbraw/zinc/98/15/61/792981561.db2.gz WXBOGYDAHYJJKX-MNOVXSKESA-N 1 0 334.384 -1.298 20 0 EAADRO CN(C[C@@H](O)CNc1nccn2nnnc12)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001124353428 792982084 /nfs/dbraw/zinc/98/20/84/792982084.db2.gz WXBOGYDAHYJJKX-QWRGUYRKSA-N 1 0 334.384 -1.298 20 0 EAADRO CN(C[C@H](O)CNc1nccn2nnnc12)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001124353429 792981629 /nfs/dbraw/zinc/98/16/29/792981629.db2.gz WXBOGYDAHYJJKX-WDEREUQCSA-N 1 0 334.384 -1.298 20 0 EAADRO CN(C[C@H](O)CNc1ccc2nnnn2n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001124353557 792982101 /nfs/dbraw/zinc/98/21/01/792982101.db2.gz XVERLCWNACWNDQ-GHMZBOCLSA-N 1 0 334.384 -1.298 20 0 EAADRO CN(C[C@@H](O)CNc1ccc2nnnn2n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001124353558 792981849 /nfs/dbraw/zinc/98/18/49/792981849.db2.gz XVERLCWNACWNDQ-MNOVXSKESA-N 1 0 334.384 -1.298 20 0 EAADRO CN(C[C@@H](O)CNc1ccc2nnnn2n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001124353559 792981957 /nfs/dbraw/zinc/98/19/57/792981957.db2.gz XVERLCWNACWNDQ-QWRGUYRKSA-N 1 0 334.384 -1.298 20 0 EAADRO CN(C[C@H](O)CNc1ccc2nnnn2n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001124353560 792982238 /nfs/dbraw/zinc/98/22/38/792982238.db2.gz XVERLCWNACWNDQ-WDEREUQCSA-N 1 0 334.384 -1.298 20 0 EAADRO CS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001124355397 792982046 /nfs/dbraw/zinc/98/20/46/792982046.db2.gz FEWKEYXWJPXIKK-UHFFFAOYSA-N 1 0 328.394 -1.552 20 0 EAADRO 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CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124379544 792987073 /nfs/dbraw/zinc/98/70/73/792987073.db2.gz JSGRKAKACGVTGI-LLVKDONJSA-N 1 0 337.442 -1.332 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124379545 792986675 /nfs/dbraw/zinc/98/66/75/792986675.db2.gz JSGRKAKACGVTGI-NSHDSACASA-N 1 0 337.442 -1.332 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CS(C)(=O)=O)C(=O)NC(=O)NC1CC1 ZINC001124379871 786037870 /nfs/dbraw/zinc/03/78/70/786037870.db2.gz RQBYAPASGNZEAQ-MRVPVSSYSA-N 1 0 334.398 -1.887 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CS(C)(=O)=O)C(=O)NC(=O)NC1CC1 ZINC001124379872 786037784 /nfs/dbraw/zinc/03/77/84/786037784.db2.gz RQBYAPASGNZEAQ-QMMMGPOBSA-N 1 0 334.398 -1.887 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)CS(C)(=O)=O)C1=O ZINC001124380021 792986140 /nfs/dbraw/zinc/98/61/40/792986140.db2.gz WDBHUJCRPLMDKY-UHFFFAOYSA-N 1 0 334.398 -1.933 20 0 EAADRO CS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001124380030 792986390 /nfs/dbraw/zinc/98/63/90/792986390.db2.gz 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EAADRO CC(C)OCC(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001124444694 792989708 /nfs/dbraw/zinc/98/97/08/792989708.db2.gz VGXCFWZAXRVFNT-LBPRGKRZSA-N 1 0 349.453 -1.237 20 0 EAADRO CC(C)OCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124444771 792988928 /nfs/dbraw/zinc/98/89/28/792988928.db2.gz WUEISYBOHCSIDF-GFCCVEGCSA-N 1 0 328.413 -1.159 20 0 EAADRO CC(C)OCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124444772 792988955 /nfs/dbraw/zinc/98/89/55/792988955.db2.gz WUEISYBOHCSIDF-LBPRGKRZSA-N 1 0 328.413 -1.159 20 0 EAADRO CN(C[C@H](O)CNc1nccn2nnnc12)C(=O)C12CC[NH+](CC1)C2 ZINC001124453622 792989586 /nfs/dbraw/zinc/98/95/86/792989586.db2.gz DZHCUOVQEHHECO-LLVKDONJSA-N 1 0 346.395 -1.154 20 0 EAADRO CN(C[C@@H](O)CNc1nccn2nnnc12)C(=O)C12CC[NH+](CC1)C2 ZINC001124453623 792989217 /nfs/dbraw/zinc/98/92/17/792989217.db2.gz DZHCUOVQEHHECO-NSHDSACASA-N 1 0 346.395 -1.154 20 0 EAADRO CCCOCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001124453925 792988766 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EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001124668954 786039732 /nfs/dbraw/zinc/03/97/32/786039732.db2.gz PTJNKXHWPHZIGT-GHMZBOCLSA-N 1 0 342.396 -1.017 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001124668955 786039555 /nfs/dbraw/zinc/03/95/55/786039555.db2.gz PTJNKXHWPHZIGT-MNOVXSKESA-N 1 0 342.396 -1.017 20 0 EAADRO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001124668956 786039443 /nfs/dbraw/zinc/03/94/43/786039443.db2.gz PTJNKXHWPHZIGT-QWRGUYRKSA-N 1 0 342.396 -1.017 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001124668957 786039451 /nfs/dbraw/zinc/03/94/51/786039451.db2.gz PTJNKXHWPHZIGT-WDEREUQCSA-N 1 0 342.396 -1.017 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001124669277 786039491 /nfs/dbraw/zinc/03/94/91/786039491.db2.gz RFGBZYMLUVDWIW-GHMZBOCLSA-N 1 0 335.426 -1.169 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001124669278 786039830 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EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)n1 ZINC001124818256 793009915 /nfs/dbraw/zinc/00/99/15/793009915.db2.gz ACFDNENITPPARP-NEPJUHHUSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)n1 ZINC001124818257 793009993 /nfs/dbraw/zinc/00/99/93/793009993.db2.gz ACFDNENITPPARP-VXGBXAGGSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)n1 ZINC001124818276 793009840 /nfs/dbraw/zinc/00/98/40/793009840.db2.gz AWYNINFJWIDBLT-GHMZBOCLSA-N 1 0 334.380 -1.490 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)n1 ZINC001124818277 793009374 /nfs/dbraw/zinc/00/93/74/793009374.db2.gz AWYNINFJWIDBLT-MNOVXSKESA-N 1 0 334.380 -1.490 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001124818346 793010056 /nfs/dbraw/zinc/01/00/56/793010056.db2.gz DQUOKWNKSVIULP-GFCCVEGCSA-N 1 0 339.396 -2.339 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)cn1 ZINC001124818569 793009294 /nfs/dbraw/zinc/00/92/94/793009294.db2.gz FUVOYLJABYOQQV-CHWSQXEVSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)cn1 ZINC001124818570 793010312 /nfs/dbraw/zinc/01/03/12/793010312.db2.gz FUVOYLJABYOQQV-OLZOCXBDSA-N 1 0 348.407 -1.100 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124818577 793009449 /nfs/dbraw/zinc/00/94/49/793009449.db2.gz GIFXEVJVZDGNKV-LLVKDONJSA-N 1 0 335.426 -1.578 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)n(C)n1 ZINC001124818815 793010281 /nfs/dbraw/zinc/01/02/81/793010281.db2.gz LTGXHWYGOMAPRI-NEPJUHHUSA-N 1 0 348.407 -1.182 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)n(C)n1 ZINC001124818816 793009793 /nfs/dbraw/zinc/00/97/93/793009793.db2.gz LTGXHWYGOMAPRI-VXGBXAGGSA-N 1 0 348.407 -1.182 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)cn1 ZINC001124819247 786040446 /nfs/dbraw/zinc/04/04/46/786040446.db2.gz QVKVTYLMRWBUHH-NEPJUHHUSA-N 1 0 334.380 -1.490 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3)C2=O)cn1 ZINC001124819248 786040885 /nfs/dbraw/zinc/04/08/85/786040885.db2.gz QVKVTYLMRWBUHH-VXGBXAGGSA-N 1 0 334.380 -1.490 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124819264 786040492 /nfs/dbraw/zinc/04/04/92/786040492.db2.gz SACHCANRDVQTER-GFCCVEGCSA-N 1 0 336.396 -1.637 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1CCC(=O)N1 ZINC001124819506 786040761 /nfs/dbraw/zinc/04/07/61/786040761.db2.gz WBBPDDHDAFQOMS-DGCLKSJQSA-N 1 0 329.397 -1.473 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@H]1CCC(=O)N1 ZINC001124819507 786040880 /nfs/dbraw/zinc/04/08/80/786040880.db2.gz WBBPDDHDAFQOMS-WCQYABFASA-N 1 0 329.397 -1.473 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001124819659 793009683 /nfs/dbraw/zinc/00/96/83/793009683.db2.gz ZFFZTIIARLPOBL-NXEZZACHSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001124819662 793009710 /nfs/dbraw/zinc/00/97/10/793009710.db2.gz ZFFZTIIARLPOBL-VHSXEESVSA-N 1 0 326.353 -2.519 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cnc(C)[nH]2)CC1 ZINC001124842133 793010874 /nfs/dbraw/zinc/01/08/74/793010874.db2.gz BJDCZTBDUNWXLZ-UHFFFAOYSA-N 1 0 336.396 -1.272 20 0 EAADRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)[nH]1 ZINC001124843602 786040464 /nfs/dbraw/zinc/04/04/64/786040464.db2.gz SAGBCSTVBCPUEM-UHFFFAOYSA-N 1 0 336.396 -1.239 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnc(C)[nH]1 ZINC001124843686 786040430 /nfs/dbraw/zinc/04/04/30/786040430.db2.gz VOXJGHPSBQOZOC-UHFFFAOYSA-N 1 0 347.441 -1.007 20 0 EAADRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[nH]1 ZINC001124850001 793013034 /nfs/dbraw/zinc/01/30/34/793013034.db2.gz DCJGQCNBRFDJJE-LLVKDONJSA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[nH]1 ZINC001124850003 793012082 /nfs/dbraw/zinc/01/20/82/793012082.db2.gz DCJGQCNBRFDJJE-NSHDSACASA-N 1 0 336.396 -1.239 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc(C)[nH]1 ZINC001124850605 793012367 /nfs/dbraw/zinc/01/23/67/793012367.db2.gz KSIXTSTVGINTNS-SECBINFHSA-N 1 0 340.384 -1.102 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc(C)[nH]1 ZINC001124850607 793013156 /nfs/dbraw/zinc/01/31/56/793013156.db2.gz KSIXTSTVGINTNS-VIFPVBQESA-N 1 0 340.384 -1.102 20 0 EAADRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)[nH]1 ZINC001124851302 786040823 /nfs/dbraw/zinc/04/08/23/786040823.db2.gz XFRHFRGRITZWGO-UHFFFAOYSA-N 1 0 336.396 -1.224 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001124855576 786040856 /nfs/dbraw/zinc/04/08/56/786040856.db2.gz LAQPANDCWJFXHP-UHFFFAOYSA-N 1 0 341.412 -1.013 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001124855768 786040513 /nfs/dbraw/zinc/04/05/13/786040513.db2.gz LRZFSWSHPBSRSQ-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001124855770 786040658 /nfs/dbraw/zinc/04/06/58/786040658.db2.gz LRZFSWSHPBSRSQ-ZDUSSCGKSA-N 1 0 340.424 -1.144 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001124856387 793012317 /nfs/dbraw/zinc/01/23/17/793012317.db2.gz ROBHOPYAKAMPDB-UHFFFAOYSA-N 1 0 349.391 -1.044 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001124857437 786040500 /nfs/dbraw/zinc/04/05/00/786040500.db2.gz YNQWEKYBUXKAMT-UHFFFAOYSA-N 1 0 343.428 -1.751 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001124861015 786040712 /nfs/dbraw/zinc/04/07/12/786040712.db2.gz BIPUOXGPGZVYTR-UHFFFAOYSA-N 1 0 329.401 -1.157 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001124861028 786040831 /nfs/dbraw/zinc/04/08/31/786040831.db2.gz BSPOALQEOZYCGA-UHFFFAOYSA-N 1 0 338.412 -1.390 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001124861088 786040820 /nfs/dbraw/zinc/04/08/20/786040820.db2.gz FEHWEAXGWIFUFF-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001124861189 786040806 /nfs/dbraw/zinc/04/08/06/786040806.db2.gz FEHWEAXGWIFUFF-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001124861240 786040774 /nfs/dbraw/zinc/04/07/74/786040774.db2.gz HPOWZCQVNURXLB-LLVKDONJSA-N 1 0 336.396 -1.243 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001124861241 786040837 /nfs/dbraw/zinc/04/08/37/786040837.db2.gz HPOWZCQVNURXLB-NSHDSACASA-N 1 0 336.396 -1.243 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001124861246 786040671 /nfs/dbraw/zinc/04/06/71/786040671.db2.gz HQWCGGAIKJMVQJ-UHFFFAOYSA-N 1 0 341.412 -2.058 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001124861482 793013071 /nfs/dbraw/zinc/01/30/71/793013071.db2.gz NXWPFVPNBSZMET-GFCCVEGCSA-N 1 0 336.396 -1.243 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001124861483 793012129 /nfs/dbraw/zinc/01/21/29/793012129.db2.gz NXWPFVPNBSZMET-LBPRGKRZSA-N 1 0 336.396 -1.243 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124861664 793012307 /nfs/dbraw/zinc/01/23/07/793012307.db2.gz QTVUTYNBLFSYIO-JTQLQIEISA-N 1 0 328.369 -2.272 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124861665 793012197 /nfs/dbraw/zinc/01/21/97/793012197.db2.gz QTVUTYNBLFSYIO-SNVBAGLBSA-N 1 0 328.369 -2.272 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001124861678 793012636 /nfs/dbraw/zinc/01/26/36/793012636.db2.gz RMGKUCXGATUTDQ-UHFFFAOYSA-N 1 0 337.442 -1.330 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001124861823 793012389 /nfs/dbraw/zinc/01/23/89/793012389.db2.gz SZTNYQYYSMXKBR-UHFFFAOYSA-N 1 0 329.401 -1.300 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1nc(CS(C)(=O)=O)no1 ZINC001124867223 793014641 /nfs/dbraw/zinc/01/46/41/793014641.db2.gz UNFXSTJSPZWVAL-JTQLQIEISA-N 1 0 345.425 -1.086 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1nc(CS(C)(=O)=O)no1 ZINC001124867225 793013432 /nfs/dbraw/zinc/01/34/32/793013432.db2.gz UNFXSTJSPZWVAL-SNVBAGLBSA-N 1 0 345.425 -1.086 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001124867436 793014629 /nfs/dbraw/zinc/01/46/29/793014629.db2.gz VTWFIBJQUCOOSB-GFCCVEGCSA-N 1 0 331.413 -1.225 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001124867445 793013541 /nfs/dbraw/zinc/01/35/41/793013541.db2.gz VTWFIBJQUCOOSB-LBPRGKRZSA-N 1 0 331.413 -1.225 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001124873615 786040679 /nfs/dbraw/zinc/04/06/79/786040679.db2.gz ZSFJPVTWRMGLKU-GFCCVEGCSA-N 1 0 341.456 -1.183 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001124873616 786040718 /nfs/dbraw/zinc/04/07/18/786040718.db2.gz ZSFJPVTWRMGLKU-LBPRGKRZSA-N 1 0 341.456 -1.183 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001124876906 793014080 /nfs/dbraw/zinc/01/40/80/793014080.db2.gz ADGUDTXNEKHCLK-RYUDHWBXSA-N 1 0 328.413 -1.146 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001124876912 793013785 /nfs/dbraw/zinc/01/37/85/793013785.db2.gz ADGUDTXNEKHCLK-TXEJJXNPSA-N 1 0 328.413 -1.146 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001124876915 793014008 /nfs/dbraw/zinc/01/40/08/793014008.db2.gz ADGUDTXNEKHCLK-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001124882518 793013985 /nfs/dbraw/zinc/01/39/85/793013985.db2.gz AAZWCMQADYRKRM-UHFFFAOYSA-N 1 0 341.412 -1.061 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001124882522 793013739 /nfs/dbraw/zinc/01/37/39/793013739.db2.gz AJVIFDXPBGMGQH-SECBINFHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001124882523 793014928 /nfs/dbraw/zinc/01/49/28/793014928.db2.gz AJVIFDXPBGMGQH-VIFPVBQESA-N 1 0 327.385 -1.405 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001124882635 786041246 /nfs/dbraw/zinc/04/12/46/786041246.db2.gz DHAURTFOTQFDCF-UHFFFAOYSA-N 1 0 341.412 -2.091 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CNC(=O)CC ZINC001124882672 793014522 /nfs/dbraw/zinc/01/45/22/793014522.db2.gz FBHQLBVSXRMNSL-UHFFFAOYSA-N 1 0 343.428 -1.797 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124882731 786041338 /nfs/dbraw/zinc/04/13/38/786041338.db2.gz HHQRGZUDPKRTNW-LLVKDONJSA-N 1 0 341.412 -2.058 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124882732 786041271 /nfs/dbraw/zinc/04/12/71/786041271.db2.gz HHQRGZUDPKRTNW-NSHDSACASA-N 1 0 341.412 -2.058 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001124882785 786041281 /nfs/dbraw/zinc/04/12/81/786041281.db2.gz JEYCUYIFZLMDOZ-JTQLQIEISA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001124882786 786041386 /nfs/dbraw/zinc/04/13/86/786041386.db2.gz JEYCUYIFZLMDOZ-SNVBAGLBSA-N 1 0 329.401 -1.159 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)CC ZINC001124883027 786040980 /nfs/dbraw/zinc/04/09/80/786040980.db2.gz LDNLPSYNKJTCPJ-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001124883092 786041165 /nfs/dbraw/zinc/04/11/65/786041165.db2.gz MRPUSIRFHHMGMV-CHWSQXEVSA-N 1 0 331.413 -1.225 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001124883093 786041107 /nfs/dbraw/zinc/04/11/07/786041107.db2.gz MRPUSIRFHHMGMV-OLZOCXBDSA-N 1 0 331.413 -1.225 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001124883094 786041199 /nfs/dbraw/zinc/04/11/99/786041199.db2.gz MRPUSIRFHHMGMV-QWHCGFSZSA-N 1 0 331.413 -1.225 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001124883095 786041254 /nfs/dbraw/zinc/04/12/54/786041254.db2.gz MRPUSIRFHHMGMV-STQMWFEESA-N 1 0 331.413 -1.225 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001124883098 786041042 /nfs/dbraw/zinc/04/10/42/786041042.db2.gz MTFGHMOXNQASTK-NEPJUHHUSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001124883099 786041097 /nfs/dbraw/zinc/04/10/97/786041097.db2.gz MTFGHMOXNQASTK-NWDGAFQWSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001124883100 786041035 /nfs/dbraw/zinc/04/10/35/786041035.db2.gz MTFGHMOXNQASTK-RYUDHWBXSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001124883101 786041006 /nfs/dbraw/zinc/04/10/06/786041006.db2.gz MTFGHMOXNQASTK-VXGBXAGGSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001124883362 786041053 /nfs/dbraw/zinc/04/10/53/786041053.db2.gz QNMFNTQRAHOQRI-JTQLQIEISA-N 1 0 329.401 -2.189 20 0 EAADRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001124883374 786041293 /nfs/dbraw/zinc/04/12/93/786041293.db2.gz QNMFNTQRAHOQRI-SNVBAGLBSA-N 1 0 329.401 -2.189 20 0 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COCCOCC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001124941057 793016381 /nfs/dbraw/zinc/01/63/81/793016381.db2.gz BNWBKYOLOQYTTA-UHFFFAOYSA-N 1 0 344.412 -1.954 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCCOC ZINC001124941080 793016228 /nfs/dbraw/zinc/01/62/28/793016228.db2.gz CDBXUSGMHIGXDY-UHFFFAOYSA-N 1 0 332.401 -1.019 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001124941091 786041671 /nfs/dbraw/zinc/04/16/71/786041671.db2.gz CIVCVMFDDDMCDX-UHFFFAOYSA-N 1 0 340.442 -1.194 20 0 EAADRO COCCOCC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001124941248 793015664 /nfs/dbraw/zinc/01/56/64/793015664.db2.gz FLGPMNPRPRCCCY-CYBMUJFWSA-N 1 0 339.396 -1.106 20 0 EAADRO COCCOCC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001124941249 793016666 /nfs/dbraw/zinc/01/66/66/793016666.db2.gz FLGPMNPRPRCCCY-ZDUSSCGKSA-N 1 0 339.396 -1.106 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001124941272 793015459 /nfs/dbraw/zinc/01/54/59/793015459.db2.gz GFGHSVBFWDKOPR-UHFFFAOYSA-N 1 0 325.431 -1.363 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001124941286 786041870 /nfs/dbraw/zinc/04/18/70/786041870.db2.gz GUJNCDNTVCLYSN-UHFFFAOYSA-N 1 0 341.412 -1.253 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001124941296 786041885 /nfs/dbraw/zinc/04/18/85/786041885.db2.gz HAZLFPRQJNYCLW-KBPBESRZSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001124941297 786041731 /nfs/dbraw/zinc/04/17/31/786041731.db2.gz HAZLFPRQJNYCLW-KGLIPLIRSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001124941298 786041568 /nfs/dbraw/zinc/04/15/68/786041568.db2.gz HAZLFPRQJNYCLW-UONOGXRCSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001124941299 786041467 /nfs/dbraw/zinc/04/14/67/786041467.db2.gz HAZLFPRQJNYCLW-ZIAGYGMSSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124941450 786041584 /nfs/dbraw/zinc/04/15/84/786041584.db2.gz JKUGDJMSNAFTQP-GFCCVEGCSA-N 1 0 344.412 -1.921 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124941451 786041875 /nfs/dbraw/zinc/04/18/75/786041875.db2.gz JKUGDJMSNAFTQP-LBPRGKRZSA-N 1 0 344.412 -1.921 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)COCCOC ZINC001124941454 786041470 /nfs/dbraw/zinc/04/14/70/786041470.db2.gz JPAICQMYQZZQJN-UHFFFAOYSA-N 1 0 346.428 -1.660 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001124941777 786041631 /nfs/dbraw/zinc/04/16/31/786041631.db2.gz PGSKRXPCBDMBOR-LLVKDONJSA-N 1 0 332.401 -2.052 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001124941778 786041550 /nfs/dbraw/zinc/04/15/50/786041550.db2.gz PGSKRXPCBDMBOR-NSHDSACASA-N 1 0 332.401 -2.052 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001124941783 786041712 /nfs/dbraw/zinc/04/17/12/786041712.db2.gz PPODAECCXPPMQM-BETUJISGSA-N 1 0 331.413 -1.009 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001124941784 786041724 /nfs/dbraw/zinc/04/17/24/786041724.db2.gz PPODAECCXPPMQM-CHWSQXEVSA-N 1 0 331.413 -1.009 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001124941785 786041479 /nfs/dbraw/zinc/04/14/79/786041479.db2.gz PPODAECCXPPMQM-STQMWFEESA-N 1 0 331.413 -1.009 20 0 EAADRO COCCOCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001124941787 786041912 /nfs/dbraw/zinc/04/19/12/786041912.db2.gz PQYXBBSIPOFWDQ-LLVKDONJSA-N 1 0 332.401 -1.022 20 0 EAADRO COCCOCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001124941788 786041517 /nfs/dbraw/zinc/04/15/17/786041517.db2.gz PQYXBBSIPOFWDQ-NSHDSACASA-N 1 0 332.401 -1.022 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001124942015 786041617 /nfs/dbraw/zinc/04/16/17/786041617.db2.gz RHLQXOBZPMMTFW-UHFFFAOYSA-N 1 0 344.412 -1.906 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001124942218 786041909 /nfs/dbraw/zinc/04/19/09/786041909.db2.gz UXEKFSFQEADRQP-CYBMUJFWSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001124942219 786041898 /nfs/dbraw/zinc/04/18/98/786041898.db2.gz UXEKFSFQEADRQP-ZDUSSCGKSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOCC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001124942222 786041851 /nfs/dbraw/zinc/04/18/51/786041851.db2.gz UZESZCGIUZSKFX-GFCCVEGCSA-N 1 0 339.396 -1.106 20 0 EAADRO COCCOCC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001124942223 786041844 /nfs/dbraw/zinc/04/18/44/786041844.db2.gz UZESZCGIUZSKFX-LBPRGKRZSA-N 1 0 339.396 -1.106 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001124942261 786041823 /nfs/dbraw/zinc/04/18/23/786041823.db2.gz WRJMAJILRKYMEL-LLVKDONJSA-N 1 0 348.400 -1.784 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001124942262 786041690 /nfs/dbraw/zinc/04/16/90/786041690.db2.gz WRJMAJILRKYMEL-NSHDSACASA-N 1 0 348.400 -1.784 20 0 EAADRO COCCOCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001124942270 786041926 /nfs/dbraw/zinc/04/19/26/786041926.db2.gz WVAKIHWGXBHYJK-UHFFFAOYSA-N 1 0 330.385 -1.314 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124942294 786041882 /nfs/dbraw/zinc/04/18/82/786041882.db2.gz YAPXIHYNYBVVAS-LLVKDONJSA-N 1 0 331.369 -2.135 20 0 EAADRO COCCOCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124942295 786041720 /nfs/dbraw/zinc/04/17/20/786041720.db2.gz YAPXIHYNYBVVAS-NSHDSACASA-N 1 0 331.369 -2.135 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C(=O)C(C)(C)C)CC1 ZINC001124971486 793016527 /nfs/dbraw/zinc/01/65/27/793016527.db2.gz BRHNMHYNZUIKEY-UHFFFAOYSA-N 1 0 340.424 -1.002 20 0 EAADRO Cc1nn(C)cc1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001124971680 786042068 /nfs/dbraw/zinc/04/20/68/786042068.db2.gz HMUMIDNOIMQTQE-LLVKDONJSA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1nn(C)cc1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001124971681 786042299 /nfs/dbraw/zinc/04/22/99/786042299.db2.gz HMUMIDNOIMQTQE-NSHDSACASA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1nn(C)cc1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001124971874 786042312 /nfs/dbraw/zinc/04/23/12/786042312.db2.gz LBBFDGORGYNJRE-UHFFFAOYSA-N 1 0 334.380 -1.354 20 0 EAADRO CC(C)(C)C(=O)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124972067 786042278 /nfs/dbraw/zinc/04/22/78/786042278.db2.gz OZPQJOYCAZQRBA-JTQLQIEISA-N 1 0 327.381 -1.183 20 0 EAADRO CC(C)(C)C(=O)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124972068 786042105 /nfs/dbraw/zinc/04/21/05/786042105.db2.gz OZPQJOYCAZQRBA-SNVBAGLBSA-N 1 0 327.381 -1.183 20 0 EAADRO Cc1nn(C)cc1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124980737 786042265 /nfs/dbraw/zinc/04/22/65/786042265.db2.gz RERCSPIGAHJSHA-LLVKDONJSA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1nn(C)cc1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124980738 786042260 /nfs/dbraw/zinc/04/22/60/786042260.db2.gz RERCSPIGAHJSHA-NSHDSACASA-N 1 0 337.380 -1.442 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C(=O)C(C)(C)C)C(=O)N(C)C ZINC001124986227 793017455 /nfs/dbraw/zinc/01/74/55/793017455.db2.gz GXEJQHCZVXRELQ-JTQLQIEISA-N 1 0 328.413 -1.100 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C(=O)C(C)(C)C)C(=O)N(C)C ZINC001124986228 786042353 /nfs/dbraw/zinc/04/23/53/786042353.db2.gz GXEJQHCZVXRELQ-SNVBAGLBSA-N 1 0 328.413 -1.100 20 0 EAADRO CN(C[C@H](O)CN(C)c1nccn2nnnc12)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001125001294 793017787 /nfs/dbraw/zinc/01/77/87/793017787.db2.gz RGHYEACJWXNLON-NEPJUHHUSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C[C@@H](O)CN(C)c1nccn2nnnc12)C(=O)[C@H]1CCC[N@@H+]1C ZINC001125001295 793017480 /nfs/dbraw/zinc/01/74/80/793017480.db2.gz RGHYEACJWXNLON-NWDGAFQWSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C[C@@H](O)CN(C)c1nccn2nnnc12)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001125001296 793017059 /nfs/dbraw/zinc/01/70/59/793017059.db2.gz RGHYEACJWXNLON-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C[C@H](O)CN(C)c1nccn2nnnc12)C(=O)[C@H]1CCC[N@@H+]1C ZINC001125001297 793017612 /nfs/dbraw/zinc/01/76/12/793017612.db2.gz RGHYEACJWXNLON-VXGBXAGGSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C[C@H](O)CN(C)c1ccc2nnnn2n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001125001616 793017755 /nfs/dbraw/zinc/01/77/55/793017755.db2.gz SYEFSMGENJISBM-NEPJUHHUSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C[C@@H](O)CN(C)c1ccc2nnnn2n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001125001618 793017284 /nfs/dbraw/zinc/01/72/84/793017284.db2.gz SYEFSMGENJISBM-NWDGAFQWSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C[C@@H](O)CN(C)c1ccc2nnnn2n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001125001620 793017947 /nfs/dbraw/zinc/01/79/47/793017947.db2.gz SYEFSMGENJISBM-RYUDHWBXSA-N 1 0 348.411 -1.131 20 0 EAADRO CN(C[C@H](O)CN(C)c1ccc2nnnn2n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001125001622 793018526 /nfs/dbraw/zinc/01/85/26/793018526.db2.gz SYEFSMGENJISBM-VXGBXAGGSA-N 1 0 348.411 -1.131 20 0 EAADRO Cc1cc(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)no1 ZINC001125006292 793018282 /nfs/dbraw/zinc/01/82/82/793018282.db2.gz WBQHGBHALYZZTK-UHFFFAOYSA-N 1 0 335.364 -1.171 20 0 EAADRO Cc1cc(CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)no1 ZINC001125006326 793018580 /nfs/dbraw/zinc/01/85/80/793018580.db2.gz XZQZRKFYVBRBGH-GFCCVEGCSA-N 1 0 338.364 -1.259 20 0 EAADRO Cc1cc(CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)no1 ZINC001125006327 793017653 /nfs/dbraw/zinc/01/76/53/793017653.db2.gz XZQZRKFYVBRBGH-LBPRGKRZSA-N 1 0 338.364 -1.259 20 0 EAADRO Cc1cc(CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)no1 ZINC001125010719 793017013 /nfs/dbraw/zinc/01/70/13/793017013.db2.gz JQTPVMBUDFNNRK-LLVKDONJSA-N 1 0 339.396 -1.176 20 0 EAADRO Cc1cc(CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)no1 ZINC001125010731 793018240 /nfs/dbraw/zinc/01/82/40/793018240.db2.gz JQTPVMBUDFNNRK-NSHDSACASA-N 1 0 339.396 -1.176 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)cn1 ZINC001125016268 793018258 /nfs/dbraw/zinc/01/82/58/793018258.db2.gz QMXLBTGEHOPHHV-GFCCVEGCSA-N 1 0 337.380 -1.268 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)cn1 ZINC001125016270 793018295 /nfs/dbraw/zinc/01/82/95/793018295.db2.gz QMXLBTGEHOPHHV-LBPRGKRZSA-N 1 0 337.380 -1.268 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC001125020477 786042487 /nfs/dbraw/zinc/04/24/87/786042487.db2.gz ZRQZPKNTTXQTAB-UHFFFAOYSA-N 1 0 334.380 -1.180 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cn1 ZINC001125023915 793017548 /nfs/dbraw/zinc/01/75/48/793017548.db2.gz WMWQEQAFWYTVJU-LLVKDONJSA-N 1 0 338.412 -1.185 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)cn1 ZINC001125023971 793018715 /nfs/dbraw/zinc/01/87/15/793018715.db2.gz WMWQEQAFWYTVJU-NSHDSACASA-N 1 0 338.412 -1.185 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1nccnc1N ZINC001125028937 786042599 /nfs/dbraw/zinc/04/25/99/786042599.db2.gz AYALJRZGMPNNRX-UHFFFAOYSA-N 1 0 330.414 -1.292 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125029176 793018189 /nfs/dbraw/zinc/01/81/89/793018189.db2.gz MWOQKMIGJUSAGC-GHMZBOCLSA-N 1 0 327.385 -1.209 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125029177 793018669 /nfs/dbraw/zinc/01/86/69/793018669.db2.gz MWOQKMIGJUSAGC-MNOVXSKESA-N 1 0 327.385 -1.209 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125029178 793017645 /nfs/dbraw/zinc/01/76/45/793017645.db2.gz MWOQKMIGJUSAGC-QWRGUYRKSA-N 1 0 327.385 -1.209 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125029179 793017195 /nfs/dbraw/zinc/01/71/95/793017195.db2.gz MWOQKMIGJUSAGC-WDEREUQCSA-N 1 0 327.385 -1.209 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001125029245 793018789 /nfs/dbraw/zinc/01/87/89/793018789.db2.gz PZWGKYMDGBWEPP-UHFFFAOYSA-N 1 0 328.398 -1.586 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001125029394 793018110 /nfs/dbraw/zinc/01/81/10/793018110.db2.gz UBHVCWXVSMJLAV-UHFFFAOYSA-N 1 0 328.336 -1.086 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001125033195 793018587 /nfs/dbraw/zinc/01/85/87/793018587.db2.gz BYTUCUMDEZIPLA-NEPJUHHUSA-N 1 0 339.396 -1.065 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001125033196 793018342 /nfs/dbraw/zinc/01/83/42/793018342.db2.gz BYTUCUMDEZIPLA-NWDGAFQWSA-N 1 0 339.396 -1.065 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001125033197 793018773 /nfs/dbraw/zinc/01/87/73/793018773.db2.gz BYTUCUMDEZIPLA-RYUDHWBXSA-N 1 0 339.396 -1.065 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001125033198 793017867 /nfs/dbraw/zinc/01/78/67/793017867.db2.gz BYTUCUMDEZIPLA-VXGBXAGGSA-N 1 0 339.396 -1.065 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125033264 793017385 /nfs/dbraw/zinc/01/73/85/793017385.db2.gz DCXONMUQPZLJLM-UHFFFAOYSA-N 1 0 337.384 -1.140 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001125033691 793017150 /nfs/dbraw/zinc/01/71/50/793017150.db2.gz FYBAYVCVSYGDRS-LLVKDONJSA-N 1 0 339.396 -1.065 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001125033692 793018389 /nfs/dbraw/zinc/01/83/89/793018389.db2.gz FYBAYVCVSYGDRS-NSHDSACASA-N 1 0 339.396 -1.065 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2nccnc2N)CC1 ZINC001125033736 793018442 /nfs/dbraw/zinc/01/84/42/793018442.db2.gz HCLJQBDMOFEJAJ-UHFFFAOYSA-N 1 0 349.395 -1.931 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3nccnc3N)C2=O)cn1 ZINC001125034039 793018597 /nfs/dbraw/zinc/01/85/97/793018597.db2.gz LTQVGEVAJVZZJK-LLVKDONJSA-N 1 0 344.379 -1.083 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3nccnc3N)C2=O)cn1 ZINC001125034040 793018500 /nfs/dbraw/zinc/01/85/00/793018500.db2.gz LTQVGEVAJVZZJK-NSHDSACASA-N 1 0 344.379 -1.083 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2nccnc2N)C1 ZINC001125034056 793017586 /nfs/dbraw/zinc/01/75/86/793017586.db2.gz MEIMGXOQMRHISU-JTQLQIEISA-N 1 0 349.395 -1.898 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2nccnc2N)C1 ZINC001125034057 793017262 /nfs/dbraw/zinc/01/72/62/793017262.db2.gz MEIMGXOQMRHISU-SNVBAGLBSA-N 1 0 349.395 -1.898 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1nccnc1N ZINC001125034058 793017323 /nfs/dbraw/zinc/01/73/23/793017323.db2.gz MEWMFZVMAVBILJ-UHFFFAOYSA-N 1 0 345.425 -1.171 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125034281 793018680 /nfs/dbraw/zinc/01/86/80/793018680.db2.gz NCMYHCCMZVXWIK-UHFFFAOYSA-N 1 0 346.395 -1.230 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001125034345 793017048 /nfs/dbraw/zinc/01/70/48/793017048.db2.gz PPKYMMXWIUJOGQ-SECBINFHSA-N 1 0 336.352 -2.112 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001125034348 793017857 /nfs/dbraw/zinc/01/78/57/793017857.db2.gz PPKYMMXWIUJOGQ-VIFPVBQESA-N 1 0 336.352 -2.112 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)c2nccnc2N)C1 ZINC001125034609 793018065 /nfs/dbraw/zinc/01/80/65/793018065.db2.gz RKOWKWRVHUOZFC-JTQLQIEISA-N 1 0 342.425 -1.340 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)c2nccnc2N)C1 ZINC001125034610 793019238 /nfs/dbraw/zinc/01/92/38/793019238.db2.gz RKOWKWRVHUOZFC-SNVBAGLBSA-N 1 0 342.425 -1.340 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2nccnc2N)CC1 ZINC001125034748 793019461 /nfs/dbraw/zinc/01/94/61/793019461.db2.gz UXXJGGQUCKDNDS-UHFFFAOYSA-N 1 0 349.395 -1.898 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3nccnc3N)C2=O)n1 ZINC001125034893 793019556 /nfs/dbraw/zinc/01/95/56/793019556.db2.gz YBPFCUBRUJMWBW-JTQLQIEISA-N 1 0 344.379 -1.083 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3nccnc3N)C2=O)n1 ZINC001125034895 793019768 /nfs/dbraw/zinc/01/97/68/793019768.db2.gz YBPFCUBRUJMWBW-SNVBAGLBSA-N 1 0 344.379 -1.083 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1nccnc1N ZINC001125034925 793019396 /nfs/dbraw/zinc/01/93/96/793019396.db2.gz YQHKJOQBRWXABG-UHFFFAOYSA-N 1 0 330.414 -1.340 20 0 EAADRO Nc1nccnc1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001125039408 786042569 /nfs/dbraw/zinc/04/25/69/786042569.db2.gz ICQVMABFILHORO-UHFFFAOYSA-N 1 0 349.395 -1.883 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2nccnc2N)C1=O ZINC001125039522 786042466 /nfs/dbraw/zinc/04/24/66/786042466.db2.gz JOMHIOTYBIAWKS-UHFFFAOYSA-N 1 0 335.368 -1.291 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1nccnc1N)C(=O)N(C)C ZINC001125039658 786042636 /nfs/dbraw/zinc/04/26/36/786042636.db2.gz NTXUFGFZRSGWAH-SECBINFHSA-N 1 0 337.384 -2.029 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1nccnc1N)C(=O)N(C)C ZINC001125039659 786042789 /nfs/dbraw/zinc/04/27/89/786042789.db2.gz NTXUFGFZRSGWAH-VIFPVBQESA-N 1 0 337.384 -2.029 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2nccnc2N)cc(=O)n(C)c1=O ZINC001125039799 786042703 /nfs/dbraw/zinc/04/27/03/786042703.db2.gz UTIMTTAKTSTKCD-UHFFFAOYSA-N 1 0 333.352 -2.024 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1nccnc1N)C(=O)NC(=O)NC1CC1 ZINC001125039908 786042766 /nfs/dbraw/zinc/04/27/66/786042766.db2.gz ZMTDTGIBEVALPL-MRVPVSSYSA-N 1 0 335.368 -1.245 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1nccnc1N)C(=O)NC(=O)NC1CC1 ZINC001125039909 786042793 /nfs/dbraw/zinc/04/27/93/786042793.db2.gz ZMTDTGIBEVALPL-QMMMGPOBSA-N 1 0 335.368 -1.245 20 0 EAADRO Cc1[nH]nc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)c1C ZINC001125044722 793020053 /nfs/dbraw/zinc/02/00/53/793020053.db2.gz HLDZTAUJCKCOEC-LLVKDONJSA-N 1 0 337.380 -1.144 20 0 EAADRO 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NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2cc[nH]n2)C1 ZINC001125164314 793024995 /nfs/dbraw/zinc/02/49/95/793024995.db2.gz HMMYALNCNGZEHI-NSHDSACASA-N 1 0 336.396 -1.618 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125164496 793024021 /nfs/dbraw/zinc/02/40/21/793024021.db2.gz METIUYZBXVHOBN-UHFFFAOYSA-N 1 0 338.412 -1.357 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cc1cc[nH]n1)NCC(=O)N1CCCC1 ZINC001125165110 793024829 /nfs/dbraw/zinc/02/48/29/793024829.db2.gz WOFNSOXDTSEEBG-UHFFFAOYSA-N 1 0 336.396 -1.603 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125169889 793025893 /nfs/dbraw/zinc/02/58/93/793025893.db2.gz MUMYPRMSGOWZQG-MRVPVSSYSA-N 1 0 325.373 -1.323 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125169890 793026356 /nfs/dbraw/zinc/02/63/56/793026356.db2.gz MUMYPRMSGOWZQG-QMMMGPOBSA-N 1 0 325.373 -1.323 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125174929 793025735 /nfs/dbraw/zinc/02/57/35/793025735.db2.gz AJVXESFUUIRFFX-UHFFFAOYSA-N 1 0 332.430 -1.228 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125175138 786043624 /nfs/dbraw/zinc/04/36/24/786043624.db2.gz KLPFSVWPKCYIIP-UHFFFAOYSA-N 1 0 325.373 -1.321 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125175239 793025280 /nfs/dbraw/zinc/02/52/80/793025280.db2.gz PPEDPXBNIBTQQP-CMPLNLGQSA-N 1 0 329.401 -1.145 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125175240 793025912 /nfs/dbraw/zinc/02/59/12/793025912.db2.gz PPEDPXBNIBTQQP-JQWIXIFHSA-N 1 0 329.401 -1.145 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125175241 793026459 /nfs/dbraw/zinc/02/64/59/793026459.db2.gz PPEDPXBNIBTQQP-PWSUYJOCSA-N 1 0 329.401 -1.145 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125175242 793026296 /nfs/dbraw/zinc/02/62/96/793026296.db2.gz PPEDPXBNIBTQQP-ZYHUDNBSSA-N 1 0 329.401 -1.145 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)nnn1C ZINC001125175253 793025705 /nfs/dbraw/zinc/02/57/05/793025705.db2.gz PXESYZADIVJALG-UHFFFAOYSA-N 1 0 330.352 -1.021 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)nnn1C ZINC001125175255 793026754 /nfs/dbraw/zinc/02/67/54/793026754.db2.gz PXUHJESTVWEXSW-LLVKDONJSA-N 1 0 344.441 -1.276 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)nnn1C ZINC001125175256 793026470 /nfs/dbraw/zinc/02/64/70/793026470.db2.gz PXUHJESTVWEXSW-NSHDSACASA-N 1 0 344.441 -1.276 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nnn1C ZINC001125175674 786043627 /nfs/dbraw/zinc/04/36/27/786043627.db2.gz ZYTDGKNPNKXONP-UHFFFAOYSA-N 1 0 330.414 -1.522 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)nnn1C ZINC001125184188 793025323 /nfs/dbraw/zinc/02/53/23/793025323.db2.gz AVIPYSNSTZVYLH-GFCCVEGCSA-N 1 0 341.412 -1.001 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)nnn1C ZINC001125184189 793026450 /nfs/dbraw/zinc/02/64/50/793026450.db2.gz AVIPYSNSTZVYLH-LBPRGKRZSA-N 1 0 341.412 -1.001 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nnn1C ZINC001125184197 793026859 /nfs/dbraw/zinc/02/68/59/793026859.db2.gz BICFOPPUSOPKCO-UHFFFAOYSA-N 1 0 335.368 -1.959 20 0 EAADRO Cc1c(C(=O)NCC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)nnn1C ZINC001125184202 793025624 /nfs/dbraw/zinc/02/56/24/793025624.db2.gz BVGLWLPHOUSPFH-GFCCVEGCSA-N 1 0 346.395 -1.018 20 0 EAADRO Cc1c(C(=O)NCC[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)nnn1C ZINC001125184203 793026649 /nfs/dbraw/zinc/02/66/49/793026649.db2.gz BVGLWLPHOUSPFH-LBPRGKRZSA-N 1 0 346.395 -1.018 20 0 EAADRO Cc1c(C(=O)NCC[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)nnn1C ZINC001125184398 793026256 /nfs/dbraw/zinc/02/62/56/793026256.db2.gz GIHJAHILOVNDNR-LLVKDONJSA-N 1 0 346.395 -1.018 20 0 EAADRO Cc1c(C(=O)NCC[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)nnn1C ZINC001125184399 793026631 /nfs/dbraw/zinc/02/66/31/793026631.db2.gz GIHJAHILOVNDNR-NSHDSACASA-N 1 0 346.395 -1.018 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)nnn1C ZINC001125184410 786043711 /nfs/dbraw/zinc/04/37/11/786043711.db2.gz GUZCAXFQEZGEAB-UHFFFAOYSA-N 1 0 339.400 -1.075 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)nnn1C ZINC001125184411 786044078 /nfs/dbraw/zinc/04/40/78/786044078.db2.gz GUZJYMHYHCSUKS-JTQLQIEISA-N 1 0 338.368 -2.047 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)nnn1C ZINC001125184412 786044216 /nfs/dbraw/zinc/04/42/16/786044216.db2.gz GUZJYMHYHCSUKS-SNVBAGLBSA-N 1 0 338.368 -2.047 20 0 EAADRO Cc1c(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)nnn1C ZINC001125184512 786043772 /nfs/dbraw/zinc/04/37/72/786043772.db2.gz IPSICISRXGVWSV-MRVPVSSYSA-N 1 0 337.384 -1.180 20 0 EAADRO Cc1c(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)nnn1C ZINC001125184513 786043742 /nfs/dbraw/zinc/04/37/42/786043742.db2.gz IPSICISRXGVWSV-QMMMGPOBSA-N 1 0 337.384 -1.180 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CC(=O)N(C)Cc2cnn(C)c2)nnn1C ZINC001125184540 786043619 /nfs/dbraw/zinc/04/36/19/786043619.db2.gz KKHHMJMUHSOHRR-UHFFFAOYSA-N 1 0 348.411 -1.165 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)nnn1C ZINC001125184558 786043670 /nfs/dbraw/zinc/04/36/70/786043670.db2.gz LKGJUFYJNGSSNX-UHFFFAOYSA-N 1 0 332.430 -1.276 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)nnn1C ZINC001125184566 786043722 /nfs/dbraw/zinc/04/37/22/786043722.db2.gz LOPSGHWRVCPNIT-UHFFFAOYSA-N 1 0 337.384 -1.227 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)nnn1C ZINC001125184756 786043798 /nfs/dbraw/zinc/04/37/98/786043798.db2.gz OHAYILWUQAWVFV-SECBINFHSA-N 1 0 339.400 -1.964 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)nnn1C ZINC001125184758 786043724 /nfs/dbraw/zinc/04/37/24/786043724.db2.gz OHAYILWUQAWVFV-VIFPVBQESA-N 1 0 339.400 -1.964 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125184777 786043455 /nfs/dbraw/zinc/04/34/55/786043455.db2.gz OLTUAZOOWSDNDL-UHFFFAOYSA-N 1 0 347.441 -1.106 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125184924 786043696 /nfs/dbraw/zinc/04/36/96/786043696.db2.gz RQNHCOLHSIDPAF-JTQLQIEISA-N 1 0 326.401 -1.016 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125184926 786043789 /nfs/dbraw/zinc/04/37/89/786043789.db2.gz RQNHCOLHSIDPAF-SNVBAGLBSA-N 1 0 326.401 -1.016 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)nnn1C ZINC001125185330 793025645 /nfs/dbraw/zinc/02/56/45/793025645.db2.gz XCRQMPPEAQDVLC-CHWSQXEVSA-N 1 0 341.412 -1.001 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)nnn1C ZINC001125185331 793026915 /nfs/dbraw/zinc/02/69/15/793026915.db2.gz XCRQMPPEAQDVLC-OLZOCXBDSA-N 1 0 341.412 -1.001 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)nnn1C ZINC001125185332 793025612 /nfs/dbraw/zinc/02/56/12/793025612.db2.gz XCRQMPPEAQDVLC-QWHCGFSZSA-N 1 0 341.412 -1.001 20 0 EAADRO Cc1c(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)nnn1C ZINC001125185333 793026336 /nfs/dbraw/zinc/02/63/36/793026336.db2.gz XCRQMPPEAQDVLC-STQMWFEESA-N 1 0 341.412 -1.001 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125202695 786044555 /nfs/dbraw/zinc/04/45/55/786044555.db2.gz DAAKUMPUJRCYHJ-NEPJUHHUSA-N 1 0 343.428 -1.355 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125202696 786044080 /nfs/dbraw/zinc/04/40/80/786044080.db2.gz DAAKUMPUJRCYHJ-NWDGAFQWSA-N 1 0 343.428 -1.355 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125202697 786044566 /nfs/dbraw/zinc/04/45/66/786044566.db2.gz DAAKUMPUJRCYHJ-RYUDHWBXSA-N 1 0 343.428 -1.355 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125202698 786044624 /nfs/dbraw/zinc/04/46/24/786044624.db2.gz DAAKUMPUJRCYHJ-VXGBXAGGSA-N 1 0 343.428 -1.355 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125202707 786044200 /nfs/dbraw/zinc/04/42/00/786044200.db2.gz DOOBWMBDRBZPEB-CHWSQXEVSA-N 1 0 330.429 -1.436 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125202708 786044265 /nfs/dbraw/zinc/04/42/65/786044265.db2.gz DOOBWMBDRBZPEB-OLZOCXBDSA-N 1 0 330.429 -1.436 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125202709 786044467 /nfs/dbraw/zinc/04/44/67/786044467.db2.gz DOOBWMBDRBZPEB-QWHCGFSZSA-N 1 0 330.429 -1.436 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125202710 786044311 /nfs/dbraw/zinc/04/43/11/786044311.db2.gz DOOBWMBDRBZPEB-STQMWFEESA-N 1 0 330.429 -1.436 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125203005 786044117 /nfs/dbraw/zinc/04/41/17/786044117.db2.gz HKIKGTHLYZGKMI-KBPBESRZSA-N 1 0 344.456 -1.046 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125203006 786044745 /nfs/dbraw/zinc/04/47/45/786044745.db2.gz HKIKGTHLYZGKMI-KGLIPLIRSA-N 1 0 344.456 -1.046 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125203007 786044328 /nfs/dbraw/zinc/04/43/28/786044328.db2.gz HKIKGTHLYZGKMI-UONOGXRCSA-N 1 0 344.456 -1.046 20 0 EAADRO 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EAADRO O=C(C[C@@H]1COC(=O)C1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001125688750 785217514 /nfs/dbraw/zinc/21/75/14/785217514.db2.gz ZCWRQGMYLQVULA-JTQLQIEISA-N 1 0 326.353 -2.396 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001125688751 785217878 /nfs/dbraw/zinc/21/78/78/785217878.db2.gz ZCWRQGMYLQVULA-SNVBAGLBSA-N 1 0 326.353 -2.396 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)C[C@@H]2COC(=O)C2)C1=O ZINC001125694652 785221566 /nfs/dbraw/zinc/22/15/66/785221566.db2.gz DZBZZQFYIMPMSW-JTQLQIEISA-N 1 0 340.380 -1.024 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)C[C@H]2COC(=O)C2)C1=O ZINC001125694653 785222302 /nfs/dbraw/zinc/22/23/02/785222302.db2.gz DZBZZQFYIMPMSW-SNVBAGLBSA-N 1 0 340.380 -1.024 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2COC(=O)C2)CCO1 ZINC001125694654 785221965 /nfs/dbraw/zinc/22/19/65/785221965.db2.gz FARAILAENASCKD-NEPJUHHUSA-N 1 0 327.381 -1.107 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2COC(=O)C2)CCO1 ZINC001125694655 785221450 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O=C(C[NH2+]CCNC(=O)C[C@H]1COC(=O)C1)NC[C@H]1CCOC1 ZINC001125695198 785221267 /nfs/dbraw/zinc/22/12/67/785221267.db2.gz KAEGPGABAOZPMF-VXGBXAGGSA-N 1 0 327.381 -1.202 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)C[C@@H]2COC(=O)C2)cc(=O)n(C)c1=O ZINC001125695361 785221430 /nfs/dbraw/zinc/22/14/30/785221430.db2.gz LTXDFGYPRNNNOB-JTQLQIEISA-N 1 0 338.364 -1.757 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)C[C@H]2COC(=O)C2)cc(=O)n(C)c1=O ZINC001125695362 785221706 /nfs/dbraw/zinc/22/17/06/785221706.db2.gz LTXDFGYPRNNNOB-SNVBAGLBSA-N 1 0 338.364 -1.757 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001125695749 785222808 /nfs/dbraw/zinc/22/28/08/785222808.db2.gz OYKDGMOHVQWIKD-JTQLQIEISA-N 1 0 326.353 -1.413 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001125695751 785222891 /nfs/dbraw/zinc/22/28/91/785222891.db2.gz OYKDGMOHVQWIKD-SNVBAGLBSA-N 1 0 326.353 -1.413 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[C@H]1COC(=O)C1)C(=O)N(C)C ZINC001125696118 785223904 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341.364 -1.845 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001125696126 785223534 /nfs/dbraw/zinc/22/35/34/785223534.db2.gz ROBWZABVSRDXMY-QWRGUYRKSA-N 1 0 341.364 -1.845 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001125696127 785223579 /nfs/dbraw/zinc/22/35/79/785223579.db2.gz ROBWZABVSRDXMY-WDEREUQCSA-N 1 0 341.364 -1.845 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125696839 785224327 /nfs/dbraw/zinc/22/43/27/785224327.db2.gz WMQWKGWBQZQUPO-LLVKDONJSA-N 1 0 335.426 -1.073 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125696840 785223860 /nfs/dbraw/zinc/22/38/60/785223860.db2.gz WMQWKGWBQZQUPO-NSHDSACASA-N 1 0 335.426 -1.073 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)Cc2cccnc2)cc(=O)n(C)c1=O ZINC001125711587 785228475 /nfs/dbraw/zinc/22/84/75/785228475.db2.gz JPVSFJWRTCVVKX-UHFFFAOYSA-N 1 0 331.376 -1.073 20 0 EAADRO O=C(Cc1cccnc1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001125711696 785228494 /nfs/dbraw/zinc/22/84/94/785228494.db2.gz LKLATSNMSVEQSV-CYBMUJFWSA-N 1 0 334.376 -1.160 20 0 EAADRO O=C(Cc1cccnc1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001125711698 785228855 /nfs/dbraw/zinc/22/88/55/785228855.db2.gz LKLATSNMSVEQSV-ZDUSSCGKSA-N 1 0 334.376 -1.160 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1cccnc1)C(=O)N(C)C ZINC001125716695 785230408 /nfs/dbraw/zinc/23/04/08/785230408.db2.gz BUPCIGJDVJJYKC-GFCCVEGCSA-N 1 0 335.408 -1.077 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1cccnc1)C(=O)N(C)C ZINC001125716696 785230245 /nfs/dbraw/zinc/23/02/45/785230245.db2.gz BUPCIGJDVJJYKC-LBPRGKRZSA-N 1 0 335.408 -1.077 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCCCO2)CC1 ZINC001125723140 785229739 /nfs/dbraw/zinc/22/97/39/785229739.db2.gz LMLCRBJWPNJJCE-CYBMUJFWSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCCCO2)CC1 ZINC001125723141 785229654 /nfs/dbraw/zinc/22/96/54/785229654.db2.gz LMLCRBJWPNJJCE-ZDUSSCGKSA-N 1 0 340.424 -1.015 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1CCCCO1 ZINC001125723911 785229875 /nfs/dbraw/zinc/22/98/75/785229875.db2.gz WAOUWTPDKUFHQZ-NEPJUHHUSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@H]1CCCCO1 ZINC001125723915 785230063 /nfs/dbraw/zinc/23/00/63/785230063.db2.gz WAOUWTPDKUFHQZ-NWDGAFQWSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1CCCCO1 ZINC001125723918 785230726 /nfs/dbraw/zinc/23/07/26/785230726.db2.gz WAOUWTPDKUFHQZ-RYUDHWBXSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@H]1CCCCO1 ZINC001125723922 785229718 /nfs/dbraw/zinc/22/97/18/785229718.db2.gz WAOUWTPDKUFHQZ-VXGBXAGGSA-N 1 0 327.381 -1.229 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)ncn1 ZINC001125782228 785239843 /nfs/dbraw/zinc/23/98/43/785239843.db2.gz BFKBYJMJSDFXHD-UHFFFAOYSA-N 1 0 348.407 -1.157 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)ncn1 ZINC001125783317 785240260 /nfs/dbraw/zinc/24/02/60/785240260.db2.gz NMPAADNMVRBNBY-LLVKDONJSA-N 1 0 336.396 -1.303 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)ncn1 ZINC001125783323 785239958 /nfs/dbraw/zinc/23/99/58/785239958.db2.gz NMPAADNMVRBNBY-NSHDSACASA-N 1 0 336.396 -1.303 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)ncn1 ZINC001125784411 785241224 /nfs/dbraw/zinc/24/12/24/785241224.db2.gz YAXUJPFESMCBFX-UHFFFAOYSA-N 1 0 332.364 -1.298 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)ncn1 ZINC001125797461 785246368 /nfs/dbraw/zinc/24/63/68/785246368.db2.gz AWGUCRBPRGFFPZ-LLVKDONJSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)ncn1 ZINC001125797462 785246520 /nfs/dbraw/zinc/24/65/20/785246520.db2.gz AWGUCRBPRGFFPZ-NSHDSACASA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)ncn1 ZINC001125797771 785246540 /nfs/dbraw/zinc/24/65/40/785246540.db2.gz KKNPQOTWDCJZAK-UHFFFAOYSA-N 1 0 348.407 -1.172 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cc(C)ncn2)CC1 ZINC001125798181 785245404 /nfs/dbraw/zinc/24/54/04/785245404.db2.gz SJLXVURBVMOBHM-UHFFFAOYSA-N 1 0 348.407 -1.205 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)ncn1 ZINC001125805304 785247295 /nfs/dbraw/zinc/24/72/95/785247295.db2.gz AMTOJDFHJNZRGY-GFCCVEGCSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)ncn1 ZINC001125805305 785247380 /nfs/dbraw/zinc/24/73/80/785247380.db2.gz AMTOJDFHJNZRGY-LBPRGKRZSA-N 1 0 348.407 -1.172 20 0 EAADRO C[C@](O)(CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001125865591 785285039 /nfs/dbraw/zinc/28/50/39/785285039.db2.gz KKBQMMOPFSKUQP-HNNXBMFYSA-N 1 0 326.397 -1.798 20 0 EAADRO C[C@@](O)(CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001125865592 785283759 /nfs/dbraw/zinc/28/37/59/785283759.db2.gz KKBQMMOPFSKUQP-OAHLLOKOSA-N 1 0 326.397 -1.798 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)C[C@](C)(O)C2CC2)n(C)c1=O ZINC001125883855 785289092 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CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125906426 785300231 /nfs/dbraw/zinc/30/02/31/785300231.db2.gz IUWNWDAZNIVAAA-UHFFFAOYSA-N 1 0 336.458 -1.694 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125906505 785300461 /nfs/dbraw/zinc/30/04/61/785300461.db2.gz UCDVFNMHYRWQFO-UHFFFAOYSA-N 1 0 343.428 -1.494 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CN2CCOCC2)CCO1 ZINC001125906514 785300442 /nfs/dbraw/zinc/30/04/42/785300442.db2.gz VPJXKJDTISVKCE-CYBMUJFWSA-N 1 0 328.413 -1.728 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CN2CCOCC2)CCO1 ZINC001125906515 785300559 /nfs/dbraw/zinc/30/05/59/785300559.db2.gz VPJXKJDTISVKCE-ZDUSSCGKSA-N 1 0 328.413 -1.728 20 0 EAADRO O=C(CN1CCOCC1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001125906520 785300063 /nfs/dbraw/zinc/30/00/63/785300063.db2.gz WMFZPIRCESGEST-GFCCVEGCSA-N 1 0 342.396 -2.466 20 0 EAADRO O=C(CN1CCOCC1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001125906521 785299769 /nfs/dbraw/zinc/29/97/69/785299769.db2.gz WMFZPIRCESGEST-LBPRGKRZSA-N 1 0 342.396 -2.466 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125906532 785299534 /nfs/dbraw/zinc/29/95/34/785299534.db2.gz ZMMLSQJDOQMEHD-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1)n1cncn1 ZINC001125918919 785303826 /nfs/dbraw/zinc/30/38/26/785303826.db2.gz SAJXNJPGDQYACP-LBPRGKRZSA-N 1 0 348.411 -1.063 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125925580 785311781 /nfs/dbraw/zinc/31/17/81/785311781.db2.gz JCJLCHAKVIAUCC-NXEZZACHSA-N 1 0 325.373 -1.221 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125925590 785311681 /nfs/dbraw/zinc/31/16/81/785311681.db2.gz JCJLCHAKVIAUCC-UWVGGRQHSA-N 1 0 325.373 -1.221 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125925592 785310462 /nfs/dbraw/zinc/31/04/62/785310462.db2.gz JCJLCHAKVIAUCC-VHSXEESVSA-N 1 0 325.373 -1.221 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125925595 785311543 /nfs/dbraw/zinc/31/15/43/785311543.db2.gz JCJLCHAKVIAUCC-ZJUUUORDSA-N 1 0 325.373 -1.221 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)n1cncn1 ZINC001125929878 785319268 /nfs/dbraw/zinc/31/92/68/785319268.db2.gz FZMYZXIZXSVOCR-LLVKDONJSA-N 1 0 330.414 -1.420 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)n1cncn1 ZINC001125929879 785318015 /nfs/dbraw/zinc/31/80/15/785318015.db2.gz FZMYZXIZXSVOCR-NSHDSACASA-N 1 0 330.414 -1.420 20 0 EAADRO Cc1nscc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001125931467 785319015 /nfs/dbraw/zinc/31/90/15/785319015.db2.gz VWHFHDJNIGSEPO-UHFFFAOYSA-N 1 0 325.394 -1.271 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125931649 785318141 /nfs/dbraw/zinc/31/81/41/785318141.db2.gz YRXUDUAYBOHQLP-JTQLQIEISA-N 1 0 325.373 -1.219 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125931651 785321624 /nfs/dbraw/zinc/32/16/24/785321624.db2.gz YRXUDUAYBOHQLP-SNVBAGLBSA-N 1 0 325.373 -1.219 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125931683 785319501 /nfs/dbraw/zinc/31/95/01/785319501.db2.gz ZTJIVINDZCMJKK-LLVKDONJSA-N 1 0 332.430 -1.126 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125931685 785318246 /nfs/dbraw/zinc/31/82/46/785318246.db2.gz ZTJIVINDZCMJKK-NSHDSACASA-N 1 0 332.430 -1.126 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001125944405 785336233 /nfs/dbraw/zinc/33/62/33/785336233.db2.gz BISBYCSPGJQDQJ-CHWSQXEVSA-N 1 0 328.413 -1.825 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001125944406 785336891 /nfs/dbraw/zinc/33/68/91/785336891.db2.gz BISBYCSPGJQDQJ-OLZOCXBDSA-N 1 0 328.413 -1.825 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001125944407 785338758 /nfs/dbraw/zinc/33/87/58/785338758.db2.gz BISBYCSPGJQDQJ-QWHCGFSZSA-N 1 0 328.413 -1.825 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001125944408 785339262 /nfs/dbraw/zinc/33/92/62/785339262.db2.gz BISBYCSPGJQDQJ-STQMWFEESA-N 1 0 328.413 -1.825 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125944449 785339369 /nfs/dbraw/zinc/33/93/69/785339369.db2.gz BYJIWNWWSKHOSR-NEPJUHHUSA-N 1 0 343.428 -1.355 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125944450 785339168 /nfs/dbraw/zinc/33/91/68/785339168.db2.gz BYJIWNWWSKHOSR-NWDGAFQWSA-N 1 0 343.428 -1.355 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125944451 785338133 /nfs/dbraw/zinc/33/81/33/785338133.db2.gz BYJIWNWWSKHOSR-RYUDHWBXSA-N 1 0 343.428 -1.355 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125944452 785338075 /nfs/dbraw/zinc/33/80/75/785338075.db2.gz BYJIWNWWSKHOSR-VXGBXAGGSA-N 1 0 343.428 -1.355 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001125944797 785339511 /nfs/dbraw/zinc/33/95/11/785339511.db2.gz GAGIDIVZQUDIKF-DZGCQCFKSA-N 1 0 345.440 -1.421 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001125944798 785338978 /nfs/dbraw/zinc/33/89/78/785338978.db2.gz GAGIDIVZQUDIKF-HIFRSBDPSA-N 1 0 345.440 -1.421 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001125944799 785338950 /nfs/dbraw/zinc/33/89/50/785338950.db2.gz GAGIDIVZQUDIKF-UKRRQHHQSA-N 1 0 345.440 -1.421 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001125944800 785339066 /nfs/dbraw/zinc/33/90/66/785339066.db2.gz GAGIDIVZQUDIKF-ZFWWWQNUSA-N 1 0 345.440 -1.421 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001125944973 785338663 /nfs/dbraw/zinc/33/86/63/785338663.db2.gz HNEZKJOPGGTXAB-GFCCVEGCSA-N 1 0 339.396 -2.380 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001125944976 785339048 /nfs/dbraw/zinc/33/90/48/785339048.db2.gz HNEZKJOPGGTXAB-LBPRGKRZSA-N 1 0 339.396 -2.380 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945057 785339073 /nfs/dbraw/zinc/33/90/73/785339073.db2.gz HZRFOMVRFWTNEM-KBPBESRZSA-N 1 0 344.456 -1.046 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945059 785338051 /nfs/dbraw/zinc/33/80/51/785338051.db2.gz HZRFOMVRFWTNEM-KGLIPLIRSA-N 1 0 344.456 -1.046 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945061 785339222 /nfs/dbraw/zinc/33/92/22/785339222.db2.gz HZRFOMVRFWTNEM-UONOGXRCSA-N 1 0 344.456 -1.046 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945063 785338116 /nfs/dbraw/zinc/33/81/16/785338116.db2.gz HZRFOMVRFWTNEM-ZIAGYGMSSA-N 1 0 344.456 -1.046 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945086 785338464 /nfs/dbraw/zinc/33/84/64/785338464.db2.gz IISDNLMXWXZJTH-GFCCVEGCSA-N 1 0 343.428 -1.351 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945087 785338739 /nfs/dbraw/zinc/33/87/39/785338739.db2.gz IISDNLMXWXZJTH-LBPRGKRZSA-N 1 0 343.428 -1.351 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945219 785338477 /nfs/dbraw/zinc/33/84/77/785338477.db2.gz LDXHMESDXDDHPP-CHWSQXEVSA-N 1 0 330.429 -1.436 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945221 785339547 /nfs/dbraw/zinc/33/95/47/785339547.db2.gz LDXHMESDXDDHPP-OLZOCXBDSA-N 1 0 330.429 -1.436 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945223 785339438 /nfs/dbraw/zinc/33/94/38/785339438.db2.gz LDXHMESDXDDHPP-QWHCGFSZSA-N 1 0 330.429 -1.436 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945225 785338858 /nfs/dbraw/zinc/33/88/58/785338858.db2.gz LDXHMESDXDDHPP-STQMWFEESA-N 1 0 330.429 -1.436 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945304 785339580 /nfs/dbraw/zinc/33/95/80/785339580.db2.gz LPQLFLNDOGCTOS-AWEZNQCLSA-N 1 0 344.456 -1.046 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945306 785338875 /nfs/dbraw/zinc/33/88/75/785338875.db2.gz LPQLFLNDOGCTOS-CQSZACIVSA-N 1 0 344.456 -1.046 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2COCCN2C)n(C)n1 ZINC001125945483 785338962 /nfs/dbraw/zinc/33/89/62/785338962.db2.gz MVHWNVRBWFDCDT-GFCCVEGCSA-N 1 0 338.412 -1.297 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2COCCN2C)n(C)n1 ZINC001125945484 785339599 /nfs/dbraw/zinc/33/95/99/785339599.db2.gz MVHWNVRBWFDCDT-LBPRGKRZSA-N 1 0 338.412 -1.297 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945781 785338367 /nfs/dbraw/zinc/33/83/67/785338367.db2.gz OWPHRBLAWWHIQX-GFCCVEGCSA-N 1 0 336.458 -1.696 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945782 785338618 /nfs/dbraw/zinc/33/86/18/785338618.db2.gz OWPHRBLAWWHIQX-LBPRGKRZSA-N 1 0 336.458 -1.696 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1COCCN1C)C(=O)NC(=O)NC1CC1 ZINC001125946116 785341174 /nfs/dbraw/zinc/34/11/74/785341174.db2.gz RZKLLRLAWYWJJR-CMPLNLGQSA-N 1 0 341.412 -1.601 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1COCCN1C)C(=O)NC(=O)NC1CC1 ZINC001125946117 785340221 /nfs/dbraw/zinc/34/02/21/785340221.db2.gz RZKLLRLAWYWJJR-JQWIXIFHSA-N 1 0 341.412 -1.601 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1COCCN1C)C(=O)NC(=O)NC1CC1 ZINC001125946121 785340955 /nfs/dbraw/zinc/34/09/55/785340955.db2.gz RZKLLRLAWYWJJR-PWSUYJOCSA-N 1 0 341.412 -1.601 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1COCCN1C)C(=O)NC(=O)NC1CC1 ZINC001125946124 785341139 /nfs/dbraw/zinc/34/11/39/785341139.db2.gz RZKLLRLAWYWJJR-ZYHUDNBSSA-N 1 0 341.412 -1.601 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2COCCN2C)CCO1 ZINC001125946408 785341716 /nfs/dbraw/zinc/34/17/16/785341716.db2.gz UVQAFWYCYKAPFB-CHWSQXEVSA-N 1 0 328.413 -1.730 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2COCCN2C)CCO1 ZINC001125946409 785340830 /nfs/dbraw/zinc/34/08/30/785340830.db2.gz UVQAFWYCYKAPFB-OLZOCXBDSA-N 1 0 328.413 -1.730 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2COCCN2C)CCO1 ZINC001125946410 785341582 /nfs/dbraw/zinc/34/15/82/785341582.db2.gz UVQAFWYCYKAPFB-QWHCGFSZSA-N 1 0 328.413 -1.730 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2COCCN2C)CCO1 ZINC001125946411 785340195 /nfs/dbraw/zinc/34/01/95/785340195.db2.gz UVQAFWYCYKAPFB-STQMWFEESA-N 1 0 328.413 -1.730 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001125946683 785341307 /nfs/dbraw/zinc/34/13/07/785341307.db2.gz WAQVASPNOULCRH-LLVKDONJSA-N 1 0 327.385 -2.035 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001125946684 785340317 /nfs/dbraw/zinc/34/03/17/785340317.db2.gz WAQVASPNOULCRH-NSHDSACASA-N 1 0 327.385 -2.035 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001125946742 785343240 /nfs/dbraw/zinc/34/32/40/785343240.db2.gz XEBQYSDGFRLRKU-NEPJUHHUSA-N 1 0 342.396 -2.467 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001125946943 785342810 /nfs/dbraw/zinc/34/28/10/785342810.db2.gz XEBQYSDGFRLRKU-NWDGAFQWSA-N 1 0 342.396 -2.467 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001125946944 785343504 /nfs/dbraw/zinc/34/35/04/785343504.db2.gz XEBQYSDGFRLRKU-RYUDHWBXSA-N 1 0 342.396 -2.467 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001125946945 785342837 /nfs/dbraw/zinc/34/28/37/785342837.db2.gz XEBQYSDGFRLRKU-VXGBXAGGSA-N 1 0 342.396 -2.467 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125946968 785342681 /nfs/dbraw/zinc/34/26/81/785342681.db2.gz XNRRXSYXXCZIFT-GFCCVEGCSA-N 1 0 343.428 -1.495 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125946969 785343484 /nfs/dbraw/zinc/34/34/84/785343484.db2.gz XNRRXSYXXCZIFT-LBPRGKRZSA-N 1 0 343.428 -1.495 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001125947053 785342622 /nfs/dbraw/zinc/34/26/22/785342622.db2.gz ZUPXIBSOTVDEQM-LLVKDONJSA-N 1 0 343.428 -1.353 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001125947054 785343362 /nfs/dbraw/zinc/34/33/62/785343362.db2.gz ZUPXIBSOTVDEQM-NSHDSACASA-N 1 0 343.428 -1.353 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C)C(=O)N(C)C ZINC001125951658 785345125 /nfs/dbraw/zinc/34/51/25/785345125.db2.gz SPEPKYDMONJETM-NEPJUHHUSA-N 1 0 343.428 -2.384 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C)C(=O)N(C)C ZINC001125951661 785344600 /nfs/dbraw/zinc/34/46/00/785344600.db2.gz SPEPKYDMONJETM-NWDGAFQWSA-N 1 0 343.428 -2.384 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C)C(=O)N(C)C ZINC001125951717 785344410 /nfs/dbraw/zinc/34/44/10/785344410.db2.gz SPEPKYDMONJETM-RYUDHWBXSA-N 1 0 343.428 -2.384 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C)C(=O)N(C)C ZINC001125951718 785344869 /nfs/dbraw/zinc/34/48/69/785344869.db2.gz SPEPKYDMONJETM-VXGBXAGGSA-N 1 0 343.428 -2.384 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001125951856 785344987 /nfs/dbraw/zinc/34/49/87/785344987.db2.gz YBJPARUHSHFPFF-LLVKDONJSA-N 1 0 341.412 -1.647 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001125951857 785344693 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20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)n1cncn1 ZINC001125956241 785344534 /nfs/dbraw/zinc/34/45/34/785344534.db2.gz HUIJHCFJALRANB-WDEREUQCSA-N 1 0 339.400 -1.862 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001125956615 785344277 /nfs/dbraw/zinc/34/42/77/785344277.db2.gz MAZKDLTWLSRQHR-SECBINFHSA-N 1 0 326.319 -1.299 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001125956619 785345403 /nfs/dbraw/zinc/34/54/03/785345403.db2.gz MAZKDLTWLSRQHR-VIFPVBQESA-N 1 0 326.319 -1.299 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)n1cncn1 ZINC001125956667 785345304 /nfs/dbraw/zinc/34/53/04/785345304.db2.gz MMUZFAOWZOFBBT-JTQLQIEISA-N 1 0 335.368 -1.858 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)n1cncn1 ZINC001125956674 785344770 /nfs/dbraw/zinc/34/47/70/785344770.db2.gz MMUZFAOWZOFBBT-SNVBAGLBSA-N 1 0 335.368 -1.858 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001125956684 785344109 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CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125957108 785346651 /nfs/dbraw/zinc/34/66/51/785346651.db2.gz VNQHITMMVSMQIK-QWRGUYRKSA-N 1 0 329.401 -1.743 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125957109 785345758 /nfs/dbraw/zinc/34/57/58/785345758.db2.gz VNQHITMMVSMQIK-WDEREUQCSA-N 1 0 329.401 -1.743 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001125957359 785346622 /nfs/dbraw/zinc/34/66/22/785346622.db2.gz XHVDFBFVZWISSP-AWEZNQCLSA-N 1 0 335.408 -1.266 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001125957360 785347133 /nfs/dbraw/zinc/34/71/33/785347133.db2.gz XHVDFBFVZWISSP-CQSZACIVSA-N 1 0 335.408 -1.266 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2COCCN2C)no1 ZINC001125959791 785345781 /nfs/dbraw/zinc/34/57/81/785345781.db2.gz ABNZZEBRKWANSC-LLVKDONJSA-N 1 0 325.369 -1.042 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2COCCN2C)no1 ZINC001125959792 785346031 /nfs/dbraw/zinc/34/60/31/785346031.db2.gz ABNZZEBRKWANSC-NSHDSACASA-N 1 0 325.369 -1.042 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001125959814 785346279 /nfs/dbraw/zinc/34/62/79/785346279.db2.gz AVZBWWTUYGUMQO-CHWSQXEVSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001125959815 785346340 /nfs/dbraw/zinc/34/63/40/785346340.db2.gz AVZBWWTUYGUMQO-OLZOCXBDSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001125959816 785346760 /nfs/dbraw/zinc/34/67/60/785346760.db2.gz AVZBWWTUYGUMQO-QWHCGFSZSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001125959817 785346663 /nfs/dbraw/zinc/34/66/63/785346663.db2.gz AVZBWWTUYGUMQO-STQMWFEESA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001125959885 785345689 /nfs/dbraw/zinc/34/56/89/785345689.db2.gz COQRJNGPJRVNPZ-CHWSQXEVSA-N 1 0 348.469 -1.696 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001125959886 785345990 /nfs/dbraw/zinc/34/59/90/785345990.db2.gz COQRJNGPJRVNPZ-OLZOCXBDSA-N 1 0 348.469 -1.696 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001125959887 785345891 /nfs/dbraw/zinc/34/58/91/785345891.db2.gz COQRJNGPJRVNPZ-QWHCGFSZSA-N 1 0 348.469 -1.696 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001125959888 785347169 /nfs/dbraw/zinc/34/71/69/785347169.db2.gz COQRJNGPJRVNPZ-STQMWFEESA-N 1 0 348.469 -1.696 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2COCCN2C)s1 ZINC001125960012 785347094 /nfs/dbraw/zinc/34/70/94/785347094.db2.gz DKBGZIXELCIFDE-JTQLQIEISA-N 1 0 342.425 -1.179 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2COCCN2C)s1 ZINC001125960013 785345819 /nfs/dbraw/zinc/34/58/19/785345819.db2.gz DKBGZIXELCIFDE-SNVBAGLBSA-N 1 0 342.425 -1.179 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001125960032 785346581 /nfs/dbraw/zinc/34/65/81/785346581.db2.gz FDHVCOZSQZZMCC-LLVKDONJSA-N 1 0 327.385 -3.019 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001125960033 785346240 /nfs/dbraw/zinc/34/62/40/785346240.db2.gz FDHVCOZSQZZMCC-NSHDSACASA-N 1 0 327.385 -3.019 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001125960200 785346544 /nfs/dbraw/zinc/34/65/44/785346544.db2.gz GMKKUFPMFDJNHO-GHMZBOCLSA-N 1 0 343.346 -1.037 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001125960201 785347001 /nfs/dbraw/zinc/34/70/01/785347001.db2.gz GMKKUFPMFDJNHO-MNOVXSKESA-N 1 0 343.346 -1.037 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001125960202 785346082 /nfs/dbraw/zinc/34/60/82/785346082.db2.gz GMKKUFPMFDJNHO-QWRGUYRKSA-N 1 0 343.346 -1.037 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001125960203 785346923 /nfs/dbraw/zinc/34/69/23/785346923.db2.gz GMKKUFPMFDJNHO-WDEREUQCSA-N 1 0 343.346 -1.037 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001125960443 785346959 /nfs/dbraw/zinc/34/69/59/785346959.db2.gz JYNHWKZFFIZLBQ-GFCCVEGCSA-N 1 0 334.442 -1.942 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001125960444 785346429 /nfs/dbraw/zinc/34/64/29/785346429.db2.gz JYNHWKZFFIZLBQ-LBPRGKRZSA-N 1 0 334.442 -1.942 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125960476 785347049 /nfs/dbraw/zinc/34/70/49/785347049.db2.gz KSEJDTMAESFQLS-GFCCVEGCSA-N 1 0 336.458 -1.648 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125960477 785346671 /nfs/dbraw/zinc/34/66/71/785346671.db2.gz KSEJDTMAESFQLS-LBPRGKRZSA-N 1 0 336.458 -1.648 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001125960655 785346372 /nfs/dbraw/zinc/34/63/72/785346372.db2.gz NFQQVJMDSKXFOU-GFCCVEGCSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001125960656 785345673 /nfs/dbraw/zinc/34/56/73/785345673.db2.gz NFQQVJMDSKXFOU-LBPRGKRZSA-N 1 0 333.454 -1.152 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1COCCN1C)C(=O)Nc1ncccn1 ZINC001125960663 785347058 /nfs/dbraw/zinc/34/70/58/785347058.db2.gz NHZLMLDVVKMPIW-NEPJUHHUSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1COCCN1C)C(=O)Nc1ncccn1 ZINC001125960664 785346592 /nfs/dbraw/zinc/34/65/92/785346592.db2.gz NHZLMLDVVKMPIW-NWDGAFQWSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1COCCN1C)C(=O)Nc1ncccn1 ZINC001125960665 785346518 /nfs/dbraw/zinc/34/65/18/785346518.db2.gz NHZLMLDVVKMPIW-RYUDHWBXSA-N 1 0 336.396 -1.160 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1COCCN1C)C(=O)Nc1ncccn1 ZINC001125960666 785346057 /nfs/dbraw/zinc/34/60/57/785346057.db2.gz NHZLMLDVVKMPIW-VXGBXAGGSA-N 1 0 336.396 -1.160 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125960678 785347153 /nfs/dbraw/zinc/34/71/53/785347153.db2.gz NPDWHMXKHXKIAO-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125960679 785345842 /nfs/dbraw/zinc/34/58/42/785345842.db2.gz NPDWHMXKHXKIAO-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001125960831 785346799 /nfs/dbraw/zinc/34/67/99/785346799.db2.gz PCBRQIZHSUGWJJ-SECBINFHSA-N 1 0 328.398 -1.487 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001125960832 785345797 /nfs/dbraw/zinc/34/57/97/785345797.db2.gz PCBRQIZHSUGWJJ-VIFPVBQESA-N 1 0 328.398 -1.487 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001125961156 785346848 /nfs/dbraw/zinc/34/68/48/785346848.db2.gz RKUNWMHNJDRLOS-QWHCGFSZSA-N 1 0 328.413 -1.994 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001125961158 785346878 /nfs/dbraw/zinc/34/68/78/785346878.db2.gz RKUNWMHNJDRLOS-STQMWFEESA-N 1 0 328.413 -1.994 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001125961223 785348704 /nfs/dbraw/zinc/34/87/04/785348704.db2.gz SQFVHBYEIKBVHH-CHWSQXEVSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001125961225 785348197 /nfs/dbraw/zinc/34/81/97/785348197.db2.gz SQFVHBYEIKBVHH-OLZOCXBDSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001125961226 785348397 /nfs/dbraw/zinc/34/83/97/785348397.db2.gz SQFVHBYEIKBVHH-QWHCGFSZSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001125961228 785347881 /nfs/dbraw/zinc/34/78/81/785347881.db2.gz SQFVHBYEIKBVHH-STQMWFEESA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001125961282 785347670 /nfs/dbraw/zinc/34/76/70/785347670.db2.gz UDMYZMGQEPVWFY-LLVKDONJSA-N 1 0 327.385 -1.989 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001125961284 785347424 /nfs/dbraw/zinc/34/74/24/785347424.db2.gz UDMYZMGQEPVWFY-NSHDSACASA-N 1 0 327.385 -1.989 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001125961527 785348674 /nfs/dbraw/zinc/34/86/74/785348674.db2.gz WGSBLESKTPLWIN-CHWSQXEVSA-N 1 0 328.413 -1.682 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001125961528 785348649 /nfs/dbraw/zinc/34/86/49/785348649.db2.gz WGSBLESKTPLWIN-OLZOCXBDSA-N 1 0 328.413 -1.682 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001125961530 785347727 /nfs/dbraw/zinc/34/77/27/785347727.db2.gz WGSBLESKTPLWIN-QWHCGFSZSA-N 1 0 328.413 -1.682 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001125961532 785348313 /nfs/dbraw/zinc/34/83/13/785348313.db2.gz WGSBLESKTPLWIN-STQMWFEESA-N 1 0 328.413 -1.682 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001125961538 785347501 /nfs/dbraw/zinc/34/75/01/785347501.db2.gz WIAZPZOCCXRDIQ-CYBMUJFWSA-N 1 0 333.454 -1.152 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001125961539 785348081 /nfs/dbraw/zinc/34/80/81/785348081.db2.gz WIAZPZOCCXRDIQ-ZDUSSCGKSA-N 1 0 333.454 -1.152 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001126002301 785353713 /nfs/dbraw/zinc/35/37/13/785353713.db2.gz HOHFKFZERQFSKD-UHFFFAOYSA-N 1 0 349.391 -1.044 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001126002951 785354403 /nfs/dbraw/zinc/35/44/03/785354403.db2.gz QQULPLKXPMKABJ-UHFFFAOYSA-N 1 0 341.412 -1.013 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001126006873 785354633 /nfs/dbraw/zinc/35/46/33/785354633.db2.gz BSZVODCOANGWPQ-GFCCVEGCSA-N 1 0 336.396 -1.243 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001126006875 785354288 /nfs/dbraw/zinc/35/42/88/785354288.db2.gz BSZVODCOANGWPQ-LBPRGKRZSA-N 1 0 336.396 -1.243 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001126006916 785353586 /nfs/dbraw/zinc/35/35/86/785353586.db2.gz CQJKHPGOGISDBA-GFCCVEGCSA-N 1 0 331.413 -1.225 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001126006918 785353901 /nfs/dbraw/zinc/35/39/01/785353901.db2.gz CQJKHPGOGISDBA-LBPRGKRZSA-N 1 0 331.413 -1.225 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001126007388 785354570 /nfs/dbraw/zinc/35/45/70/785354570.db2.gz JZWMMNXUONFWGO-UHFFFAOYSA-N 1 0 329.401 -1.300 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001126007418 785354459 /nfs/dbraw/zinc/35/44/59/785354459.db2.gz LFXLFAAZAOZIAU-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001126007419 785354238 /nfs/dbraw/zinc/35/42/38/785354238.db2.gz LFXLFAAZAOZIAU-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001126007421 785354970 /nfs/dbraw/zinc/35/49/70/785354970.db2.gz LJZQNRCFFFGWJF-UHFFFAOYSA-N 1 0 337.442 -1.330 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126007598 785354249 /nfs/dbraw/zinc/35/42/49/785354249.db2.gz PBSHJHLJUNKWQE-JTQLQIEISA-N 1 0 328.369 -2.272 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126007599 785354081 /nfs/dbraw/zinc/35/40/81/785354081.db2.gz PBSHJHLJUNKWQE-SNVBAGLBSA-N 1 0 328.369 -2.272 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001126007918 785354927 /nfs/dbraw/zinc/35/49/27/785354927.db2.gz VOFOSYMEZNOEAN-UHFFFAOYSA-N 1 0 338.412 -1.390 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001126007935 785354439 /nfs/dbraw/zinc/35/44/39/785354439.db2.gz WJHYHSVZUDUWMA-UHFFFAOYSA-N 1 0 329.401 -1.157 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001126007954 785354258 /nfs/dbraw/zinc/35/42/58/785354258.db2.gz WXXHHPZCDQIQAV-LLVKDONJSA-N 1 0 336.396 -1.243 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001126007955 785354984 /nfs/dbraw/zinc/35/49/84/785354984.db2.gz WXXHHPZCDQIQAV-NSHDSACASA-N 1 0 336.396 -1.243 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001126008116 785353832 /nfs/dbraw/zinc/35/38/32/785353832.db2.gz YZAOSICQJONYIE-UHFFFAOYSA-N 1 0 341.412 -2.058 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011258 785353766 /nfs/dbraw/zinc/35/37/66/785353766.db2.gz ACKCEUCOEOTPOO-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011270 785354146 /nfs/dbraw/zinc/35/41/46/785354146.db2.gz ALNOGUGALCUHCH-UHFFFAOYSA-N 1 0 343.428 -1.797 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001126011278 785354754 /nfs/dbraw/zinc/35/47/54/785354754.db2.gz AWRJCTCXOZQCBD-JTQLQIEISA-N 1 0 345.400 -1.921 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001126011280 785353625 /nfs/dbraw/zinc/35/36/25/785353625.db2.gz AWRJCTCXOZQCBD-SNVBAGLBSA-N 1 0 345.400 -1.921 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001126011294 785354328 /nfs/dbraw/zinc/35/43/28/785354328.db2.gz BGNFWLJTVGKCHM-NEPJUHHUSA-N 1 0 328.413 -1.098 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001126011295 785353808 /nfs/dbraw/zinc/35/38/08/785353808.db2.gz BGNFWLJTVGKCHM-NWDGAFQWSA-N 1 0 328.413 -1.098 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001126011296 785354027 /nfs/dbraw/zinc/35/40/27/785354027.db2.gz BGNFWLJTVGKCHM-RYUDHWBXSA-N 1 0 328.413 -1.098 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001126011297 785354471 /nfs/dbraw/zinc/35/44/71/785354471.db2.gz BGNFWLJTVGKCHM-VXGBXAGGSA-N 1 0 328.413 -1.098 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001126011319 785355009 /nfs/dbraw/zinc/35/50/09/785355009.db2.gz BZCKIWPQBXLKMI-UHFFFAOYSA-N 1 0 327.385 -1.451 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001126011354 785354184 /nfs/dbraw/zinc/35/41/84/785354184.db2.gz DRRKEGNOBHHXIM-JTQLQIEISA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001126011355 785355127 /nfs/dbraw/zinc/35/51/27/785355127.db2.gz DRRKEGNOBHHXIM-SNVBAGLBSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126011521 785354091 /nfs/dbraw/zinc/35/40/91/785354091.db2.gz GMRAKJNIPAKIJJ-JTQLQIEISA-N 1 0 329.401 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126011523 785353535 /nfs/dbraw/zinc/35/35/35/785353535.db2.gz GMRAKJNIPAKIJJ-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001126011554 785354817 /nfs/dbraw/zinc/35/48/17/785354817.db2.gz HDBOCQWKIGVYBU-SECBINFHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001126011555 785354603 /nfs/dbraw/zinc/35/46/03/785354603.db2.gz HDBOCQWKIGVYBU-VIFPVBQESA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001126011592 785354851 /nfs/dbraw/zinc/35/48/51/785354851.db2.gz JAQFCSBCDCFHOL-UHFFFAOYSA-N 1 0 328.413 -1.096 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126011718 785353952 /nfs/dbraw/zinc/35/39/52/785353952.db2.gz MBFUHGGFUUFLKU-JTQLQIEISA-N 1 0 329.401 -2.189 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126011720 785354049 /nfs/dbraw/zinc/35/40/49/785354049.db2.gz MBFUHGGFUUFLKU-SNVBAGLBSA-N 1 0 329.401 -2.189 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001126011882 785354365 /nfs/dbraw/zinc/35/43/65/785354365.db2.gz QNSPBAOPEQTRAD-UHFFFAOYSA-N 1 0 341.412 -2.043 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001126011887 785354518 /nfs/dbraw/zinc/35/45/18/785354518.db2.gz QRDBGOOBAYNPCK-RYUDHWBXSA-N 1 0 328.413 -1.146 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001126011888 785353604 /nfs/dbraw/zinc/35/36/04/785353604.db2.gz QRDBGOOBAYNPCK-TXEJJXNPSA-N 1 0 328.413 -1.146 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001126011889 785355042 /nfs/dbraw/zinc/35/50/42/785355042.db2.gz QRDBGOOBAYNPCK-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126012017 785354796 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CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001126012143 785355854 /nfs/dbraw/zinc/35/58/54/785355854.db2.gz WXCRJAKOXXSSAQ-QWHCGFSZSA-N 1 0 331.413 -1.225 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001126012144 785356740 /nfs/dbraw/zinc/35/67/40/785356740.db2.gz WXCRJAKOXXSSAQ-STQMWFEESA-N 1 0 331.413 -1.225 20 0 EAADRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001126012149 785356075 /nfs/dbraw/zinc/35/60/75/785356075.db2.gz XBOXKDWEWWXVPF-UHFFFAOYSA-N 1 0 341.412 -2.091 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126015222 785356500 /nfs/dbraw/zinc/35/65/00/785356500.db2.gz AGIDUFZOAMGUFH-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001126015225 785356749 /nfs/dbraw/zinc/35/67/49/785356749.db2.gz ALLQUALMTCWQET-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001126015279 785355493 /nfs/dbraw/zinc/35/54/93/785355493.db2.gz CURJGQKCSFTOBV-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001126015280 785356466 /nfs/dbraw/zinc/35/64/66/785356466.db2.gz CURJGQKCSFTOBV-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126015299 785355558 /nfs/dbraw/zinc/35/55/58/785355558.db2.gz DJSHJZUUDCMUKO-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001126015331 785356571 /nfs/dbraw/zinc/35/65/71/785356571.db2.gz FUNLJPJNFFXDRS-GFCCVEGCSA-N 1 0 328.413 -1.096 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001126015332 785355734 /nfs/dbraw/zinc/35/57/34/785355734.db2.gz FUNLJPJNFFXDRS-LBPRGKRZSA-N 1 0 328.413 -1.096 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001126015442 785356533 /nfs/dbraw/zinc/35/65/33/785356533.db2.gz IJVSTVFAGDGGEG-UHFFFAOYSA-N 1 0 327.385 -1.403 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001126015546 785356661 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ZINC001126021261 785355649 /nfs/dbraw/zinc/35/56/49/785355649.db2.gz JAKJQNDJAMVGSA-UHFFFAOYSA-N 1 0 333.352 -1.599 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CN=NC1=O)Nc1nccs1 ZINC001126021441 785355421 /nfs/dbraw/zinc/35/54/21/785355421.db2.gz LPPLVKVDITUGDV-UHFFFAOYSA-N 1 0 325.354 -1.215 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001126021447 785356019 /nfs/dbraw/zinc/35/60/19/785356019.db2.gz LVQGERWXIJPNKK-UHFFFAOYSA-N 1 0 341.412 -1.061 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001126021481 785355717 /nfs/dbraw/zinc/35/57/17/785355717.db2.gz MTFDXXZYYZMKHT-GFCCVEGCSA-N 1 0 328.413 -1.239 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001126021482 785355592 /nfs/dbraw/zinc/35/55/92/785355592.db2.gz MTFDXXZYYZMKHT-LBPRGKRZSA-N 1 0 328.413 -1.239 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126021731 785356373 /nfs/dbraw/zinc/35/63/73/785356373.db2.gz PACKLBWPSYPVIE-LLVKDONJSA-N 1 0 343.428 -1.799 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126021732 785356827 /nfs/dbraw/zinc/35/68/27/785356827.db2.gz PACKLBWPSYPVIE-NSHDSACASA-N 1 0 343.428 -1.799 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CN=NC1=O)NC1CCOCC1 ZINC001126021887 785356589 /nfs/dbraw/zinc/35/65/89/785356589.db2.gz TYVQSTGSZGVBKA-UHFFFAOYSA-N 1 0 326.357 -2.015 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001126021913 785356204 /nfs/dbraw/zinc/35/62/04/785356204.db2.gz UWNPECGFFBZTEF-JTQLQIEISA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)CCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001126021914 785356119 /nfs/dbraw/zinc/35/61/19/785356119.db2.gz UWNPECGFFBZTEF-SNVBAGLBSA-N 1 0 341.412 -1.015 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126021933 785356760 /nfs/dbraw/zinc/35/67/60/785356760.db2.gz VIJXGXFBBFBMOG-MRVPVSSYSA-N 1 0 327.345 -2.076 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126021934 785356225 /nfs/dbraw/zinc/35/62/25/785356225.db2.gz 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O=C(CN1CN=NC1=O)NCC[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001126026745 785356709 /nfs/dbraw/zinc/35/67/09/785356709.db2.gz GTEHTRISJFQNFB-UHFFFAOYSA-N 1 0 336.396 -1.006 20 0 EAADRO O=C(CN1CN=NC1=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001126026765 785355698 /nfs/dbraw/zinc/35/56/98/785355698.db2.gz HDZPOEVBXYHHFA-UHFFFAOYSA-N 1 0 338.290 -1.242 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+]CCNC(=O)CN2CN=NC2=O)n1 ZINC001126026767 785356398 /nfs/dbraw/zinc/35/63/98/785356398.db2.gz HEEOSWHCIPVVAR-UHFFFAOYSA-N 1 0 337.388 -1.326 20 0 EAADRO O=C(CN1CN=NC1=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001126026777 785356607 /nfs/dbraw/zinc/35/66/07/785356607.db2.gz HIMGPCNVFDPJEN-UHFFFAOYSA-N 1 0 325.329 -2.322 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026940 785356482 /nfs/dbraw/zinc/35/64/82/785356482.db2.gz JUYVYXKUEWPQJM-UHFFFAOYSA-N 1 0 327.345 -2.075 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026949 785356558 /nfs/dbraw/zinc/35/65/58/785356558.db2.gz KKIGUAXYXMFENW-GHMZBOCLSA-N 1 0 331.373 -1.898 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026950 785356728 /nfs/dbraw/zinc/35/67/28/785356728.db2.gz KKIGUAXYXMFENW-MNOVXSKESA-N 1 0 331.373 -1.898 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026951 785355775 /nfs/dbraw/zinc/35/57/75/785355775.db2.gz KKIGUAXYXMFENW-QWRGUYRKSA-N 1 0 331.373 -1.898 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026952 785355469 /nfs/dbraw/zinc/35/54/69/785355469.db2.gz KKIGUAXYXMFENW-WDEREUQCSA-N 1 0 331.373 -1.898 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026985 785355954 /nfs/dbraw/zinc/35/59/54/785355954.db2.gz LJFRXLKKEMKNCF-UHFFFAOYSA-N 1 0 341.372 -1.829 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126027298 785356546 /nfs/dbraw/zinc/35/65/46/785356546.db2.gz OJZAGGZXHJACQK-UHFFFAOYSA-N 1 0 327.389 -1.213 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)CN2CN=NC2=O)C1 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PHURSFSAIMKISD-SECBINFHSA-N 1 0 340.336 -1.488 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)on1 ZINC001126079167 785359437 /nfs/dbraw/zinc/35/94/37/785359437.db2.gz PHURSFSAIMKISD-VIFPVBQESA-N 1 0 340.336 -1.488 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cnn(C)c2N)C[C@@H](C)O1 ZINC001126086211 785361051 /nfs/dbraw/zinc/36/10/51/785361051.db2.gz GEKDNNJSIOAQCR-GHMZBOCLSA-N 1 0 338.412 -1.043 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cnn(C)c2N)C[C@H](C)O1 ZINC001126086212 785360317 /nfs/dbraw/zinc/36/03/17/785360317.db2.gz GEKDNNJSIOAQCR-PHIMTYICSA-N 1 0 338.412 -1.043 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cnn(C)c2N)C[C@H](C)O1 ZINC001126086213 785360896 /nfs/dbraw/zinc/36/08/96/785360896.db2.gz GEKDNNJSIOAQCR-QWRGUYRKSA-N 1 0 338.412 -1.043 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126086528 785360085 /nfs/dbraw/zinc/36/00/85/785360085.db2.gz LCELZKUYLCMKAW-MRVPVSSYSA-N 1 0 325.373 -1.444 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126086532 785360175 /nfs/dbraw/zinc/36/01/75/785360175.db2.gz LCELZKUYLCMKAW-QMMMGPOBSA-N 1 0 325.373 -1.444 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)c1N ZINC001126086836 785360256 /nfs/dbraw/zinc/36/02/56/785360256.db2.gz QHTIUCHXYKVPOF-LLVKDONJSA-N 1 0 341.412 -1.122 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)c1N ZINC001126086837 785360998 /nfs/dbraw/zinc/36/09/98/785360998.db2.gz QHTIUCHXYKVPOF-NSHDSACASA-N 1 0 341.412 -1.122 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)c1N ZINC001126087086 785360241 /nfs/dbraw/zinc/36/02/41/785360241.db2.gz UQSPEZGPSFBRCK-NEPJUHHUSA-N 1 0 341.412 -1.122 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)c1N ZINC001126087088 785360586 /nfs/dbraw/zinc/36/05/86/785360586.db2.gz UQSPEZGPSFBRCK-NWDGAFQWSA-N 1 0 341.412 -1.122 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)c1N ZINC001126087089 785360397 /nfs/dbraw/zinc/36/03/97/785360397.db2.gz UQSPEZGPSFBRCK-RYUDHWBXSA-N 1 0 341.412 -1.122 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)c1N ZINC001126087090 785360334 /nfs/dbraw/zinc/36/03/34/785360334.db2.gz UQSPEZGPSFBRCK-VXGBXAGGSA-N 1 0 341.412 -1.122 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cncnc2)C1 ZINC001126093289 785360405 /nfs/dbraw/zinc/36/04/05/785360405.db2.gz ARATVHXRIJFIAO-AWEZNQCLSA-N 1 0 348.407 -1.077 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cncnc2)C1 ZINC001126093290 785361070 /nfs/dbraw/zinc/36/10/70/785361070.db2.gz ARATVHXRIJFIAO-CQSZACIVSA-N 1 0 348.407 -1.077 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N)C(=O)N(C)C ZINC001126093324 785360808 /nfs/dbraw/zinc/36/08/08/785360808.db2.gz BXRACWPXIRSRBJ-SECBINFHSA-N 1 0 339.400 -2.085 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N)C(=O)N(C)C ZINC001126093325 785360732 /nfs/dbraw/zinc/36/07/32/785360732.db2.gz BXRACWPXIRSRBJ-VIFPVBQESA-N 1 0 339.400 -2.085 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)c1N ZINC001126093715 785360438 /nfs/dbraw/zinc/36/04/38/785360438.db2.gz LIUOGIYFEAVFMK-UHFFFAOYSA-N 1 0 337.384 -1.348 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1N ZINC001126093722 785360212 /nfs/dbraw/zinc/36/02/12/785360212.db2.gz LUSKQBJQLIQTIO-UHFFFAOYSA-N 1 0 335.368 -2.081 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093844 785360500 /nfs/dbraw/zinc/36/05/00/785360500.db2.gz QYRKJNACBQCHEP-JTQLQIEISA-N 1 0 326.401 -1.137 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093845 785360424 /nfs/dbraw/zinc/36/04/24/785360424.db2.gz QYRKJNACBQCHEP-SNVBAGLBSA-N 1 0 326.401 -1.137 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093883 785360789 /nfs/dbraw/zinc/36/07/89/785360789.db2.gz SNIIVDRUCVJBJP-UHFFFAOYSA-N 1 0 339.400 -1.052 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093936 785361109 /nfs/dbraw/zinc/36/11/09/785361109.db2.gz VXOWHSSLHRTTDL-SECBINFHSA-N 1 0 339.400 -1.056 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093937 785360878 /nfs/dbraw/zinc/36/08/78/785360878.db2.gz VXOWHSSLHRTTDL-VIFPVBQESA-N 1 0 339.400 -1.056 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cnn(C)c1N)C(=O)NC(=O)NC1CC1 ZINC001126093991 785360466 /nfs/dbraw/zinc/36/04/66/785360466.db2.gz ZKYMZNFCLHIGAD-MRVPVSSYSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cnn(C)c1N)C(=O)NC(=O)NC1CC1 ZINC001126093992 785360688 /nfs/dbraw/zinc/36/06/88/785360688.db2.gz ZKYMZNFCLHIGAD-QMMMGPOBSA-N 1 0 337.384 -1.302 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126098986 785361405 /nfs/dbraw/zinc/36/14/05/785361405.db2.gz BQWQVGKBEOLTLO-UHFFFAOYSA-N 1 0 332.430 -1.349 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126098989 785362271 /nfs/dbraw/zinc/36/22/71/785362271.db2.gz BWVROBJUAKDVEE-UHFFFAOYSA-N 1 0 339.400 -1.197 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)c1N ZINC001126099146 785360959 /nfs/dbraw/zinc/36/09/59/785360959.db2.gz GQOJZVZHUIPOQE-UHFFFAOYSA-N 1 0 339.400 -1.054 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)c1N ZINC001126099300 785360445 /nfs/dbraw/zinc/36/04/45/785360445.db2.gz LOAHNJGQGQMNNA-UHFFFAOYSA-N 1 0 330.352 -1.142 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099466 785360622 /nfs/dbraw/zinc/36/06/22/785360622.db2.gz OJCCIPNQOCTBJO-UHFFFAOYSA-N 1 0 325.373 -1.443 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099522 785360284 /nfs/dbraw/zinc/36/02/84/785360284.db2.gz QSLCXENOTYYJOI-GHMZBOCLSA-N 1 0 329.401 -1.266 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099523 785360865 /nfs/dbraw/zinc/36/08/65/785360865.db2.gz QSLCXENOTYYJOI-MNOVXSKESA-N 1 0 329.401 -1.266 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099524 785360669 /nfs/dbraw/zinc/36/06/69/785360669.db2.gz QSLCXENOTYYJOI-QWRGUYRKSA-N 1 0 329.401 -1.266 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099525 785361043 /nfs/dbraw/zinc/36/10/43/785361043.db2.gz QSLCXENOTYYJOI-WDEREUQCSA-N 1 0 329.401 -1.266 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)c1N ZINC001126099714 785360826 /nfs/dbraw/zinc/36/08/26/785360826.db2.gz VLASQVLVBBUEDK-UHFFFAOYSA-N 1 0 330.414 -1.643 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1N ZINC001126099774 785360711 /nfs/dbraw/zinc/36/07/11/785360711.db2.gz YNPDJCDYWAJANN-JTQLQIEISA-N 1 0 344.441 -1.397 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1N ZINC001126099775 785360724 /nfs/dbraw/zinc/36/07/24/785360724.db2.gz YNPDJCDYWAJANN-SNVBAGLBSA-N 1 0 344.441 -1.397 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnn(C)c3N)C2=O)cn1 ZINC001126103937 785362258 /nfs/dbraw/zinc/36/22/58/785362258.db2.gz CTKWNRDJLNTPGF-GFCCVEGCSA-N 1 0 346.395 -1.139 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cnn(C)c3N)C2=O)cn1 ZINC001126103938 785361600 /nfs/dbraw/zinc/36/16/00/785361600.db2.gz CTKWNRDJLNTPGF-LBPRGKRZSA-N 1 0 346.395 -1.139 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)c1cncnc1 ZINC001126103939 785362059 /nfs/dbraw/zinc/36/20/59/785362059.db2.gz CVBKESXNVYLUGQ-UHFFFAOYSA-N 1 0 336.396 -1.173 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126103946 785362011 /nfs/dbraw/zinc/36/20/11/785362011.db2.gz DCZIBFPVJGWLJV-UHFFFAOYSA-N 1 0 347.441 -1.227 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)c1N ZINC001126103975 785361875 /nfs/dbraw/zinc/36/18/75/785361875.db2.gz FPBVJYNBLWFGDQ-SECBINFHSA-N 1 0 338.368 -2.168 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)c1N ZINC001126103976 785361860 /nfs/dbraw/zinc/36/18/60/785361860.db2.gz FPBVJYNBLWFGDQ-VIFPVBQESA-N 1 0 338.368 -2.168 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126104061 785361563 /nfs/dbraw/zinc/36/15/63/785361563.db2.gz JJUCSKJYFZBOJA-UHFFFAOYSA-N 1 0 332.430 -1.397 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126104229 785361582 /nfs/dbraw/zinc/36/15/82/785361582.db2.gz MXNBZNZQUUJNLU-UHFFFAOYSA-N 1 0 348.411 -1.286 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)c2cncnc2)CC1 ZINC001126104619 785361468 /nfs/dbraw/zinc/36/14/68/785361468.db2.gz VKOKJHSLLGWRPQ-UHFFFAOYSA-N 1 0 348.407 -1.077 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnn(C)c3N)C2=O)n1 ZINC001126104672 785361683 /nfs/dbraw/zinc/36/16/83/785361683.db2.gz WJGKGNYZJGFXPV-LLVKDONJSA-N 1 0 346.395 -1.139 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3cnn(C)c3N)C2=O)n1 ZINC001126104673 785362890 /nfs/dbraw/zinc/36/28/90/785362890.db2.gz WJGKGNYZJGFXPV-NSHDSACASA-N 1 0 346.395 -1.139 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2ncccc2O)n(C)c1=O ZINC001126109776 785362753 /nfs/dbraw/zinc/36/27/53/785362753.db2.gz DDEVJJSPAWVUKB-UHFFFAOYSA-N 1 0 333.348 -1.296 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cncnc1 ZINC001126110083 785362352 /nfs/dbraw/zinc/36/23/52/785362352.db2.gz HTWXDGVAUKUNQB-UHFFFAOYSA-N 1 0 345.425 -1.248 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2cncnc2)CC1 ZINC001126110968 785361549 /nfs/dbraw/zinc/36/15/49/785361549.db2.gz TWRFJYWTQGNCEV-UHFFFAOYSA-N 1 0 334.380 -1.480 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cncnc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126111028 785362201 /nfs/dbraw/zinc/36/22/01/785362201.db2.gz WJWGRGBXXFLWPL-NEPJUHHUSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cncnc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126111029 785362368 /nfs/dbraw/zinc/36/23/68/785362368.db2.gz WJWGRGBXXFLWPL-NWDGAFQWSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cncnc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126111030 785361385 /nfs/dbraw/zinc/36/13/85/785361385.db2.gz WJWGRGBXXFLWPL-RYUDHWBXSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cncnc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126111031 785362337 /nfs/dbraw/zinc/36/23/37/785362337.db2.gz WJWGRGBXXFLWPL-VXGBXAGGSA-N 1 0 348.407 -1.092 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cncnc2)CC1 ZINC001126114244 785361956 /nfs/dbraw/zinc/36/19/56/785361956.db2.gz FSHXSTDKXOKUQZ-UHFFFAOYSA-N 1 0 334.380 -1.513 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncnc1 ZINC001126118622 785364096 /nfs/dbraw/zinc/36/40/96/785364096.db2.gz DQSNICHKNWYRNR-JTQLQIEISA-N 1 0 338.368 -1.343 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncnc1 ZINC001126118624 785363402 /nfs/dbraw/zinc/36/34/02/785363402.db2.gz DQSNICHKNWYRNR-SNVBAGLBSA-N 1 0 338.368 -1.343 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCNC(=O)c2cncnc2)CC1 ZINC001126119100 785364161 /nfs/dbraw/zinc/36/41/61/785364161.db2.gz OMHCRKKKNDMCGM-GFCCVEGCSA-N 1 0 348.407 -1.125 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCNC(=O)c2cncnc2)CC1 ZINC001126119101 785363271 /nfs/dbraw/zinc/36/32/71/785363271.db2.gz OMHCRKKKNDMCGM-LBPRGKRZSA-N 1 0 348.407 -1.125 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cncnc1)NCC(=O)N1CCCC1 ZINC001126119152 785363491 /nfs/dbraw/zinc/36/34/91/785363491.db2.gz QEIKDQBGKOJTRR-UHFFFAOYSA-N 1 0 334.380 -1.465 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cncnc1)NCCCN1CCCC1=O ZINC001126119162 785363920 /nfs/dbraw/zinc/36/39/20/785363920.db2.gz QLRUSBBDUNLETR-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2cncnc2)CC1 ZINC001126119440 785364110 /nfs/dbraw/zinc/36/41/10/785364110.db2.gz RFJSNCFZRXSACH-UHFFFAOYSA-N 1 0 348.407 -1.219 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cncnc2)C1 ZINC001126119455 785363734 /nfs/dbraw/zinc/36/37/34/785363734.db2.gz RYMAHTUMOIRORP-LLVKDONJSA-N 1 0 334.380 -1.480 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cncnc2)C1 ZINC001126119456 785364123 /nfs/dbraw/zinc/36/41/23/785364123.db2.gz RYMAHTUMOIRORP-NSHDSACASA-N 1 0 334.380 -1.480 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cncnc1)C(=O)N1CCC(C(N)=O)CC1 ZINC001126119466 785363946 /nfs/dbraw/zinc/36/39/46/785363946.db2.gz SGAGKDBVIRFHED-LLVKDONJSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cncnc1)C(=O)N1CCC(C(N)=O)CC1 ZINC001126119467 785363750 /nfs/dbraw/zinc/36/37/50/785363750.db2.gz SGAGKDBVIRFHED-NSHDSACASA-N 1 0 348.407 -1.092 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1cncnc1 ZINC001126119872 785364221 /nfs/dbraw/zinc/36/42/21/785364221.db2.gz YZLJHKIIMIZZOK-UHFFFAOYSA-N 1 0 336.396 -1.219 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C1=CCOCC1)C(=O)N(C)C ZINC001126131177 785364295 /nfs/dbraw/zinc/36/42/95/785364295.db2.gz MZZBQERHLJDCLN-LLVKDONJSA-N 1 0 326.397 -1.368 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C1=CCOCC1)C(=O)N(C)C ZINC001126131178 785364077 /nfs/dbraw/zinc/36/40/77/785364077.db2.gz MZZBQERHLJDCLN-NSHDSACASA-N 1 0 326.397 -1.368 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ncccc1O ZINC001126131360 785364324 /nfs/dbraw/zinc/36/43/24/785364324.db2.gz SUOUQWVZOKOVBS-JTQLQIEISA-N 1 0 336.348 -1.384 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ncccc1O ZINC001126131361 785363323 /nfs/dbraw/zinc/36/33/23/785363323.db2.gz SUOUQWVZOKOVBS-SNVBAGLBSA-N 1 0 336.348 -1.384 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126131379 785363530 /nfs/dbraw/zinc/36/35/30/785363530.db2.gz UIDRMFLEOOAEPD-LLVKDONJSA-N 1 0 342.396 -1.100 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126131380 785363779 /nfs/dbraw/zinc/36/37/79/785363779.db2.gz UIDRMFLEOOAEPD-NSHDSACASA-N 1 0 342.396 -1.100 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1=CCOCC1)NCC(=O)N1CCCC1 ZINC001126131406 785364355 /nfs/dbraw/zinc/36/43/55/785364355.db2.gz VEKFHGDWLYPXND-UHFFFAOYSA-N 1 0 338.408 -1.223 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1=CCOCC1 ZINC001126140807 785363225 /nfs/dbraw/zinc/36/32/25/785363225.db2.gz KDILQOGILGYMQO-GFCCVEGCSA-N 1 0 325.365 -1.451 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1=CCOCC1 ZINC001126140808 785364346 /nfs/dbraw/zinc/36/43/46/785364346.db2.gz KDILQOGILGYMQO-LBPRGKRZSA-N 1 0 325.365 -1.451 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126141231 785363289 /nfs/dbraw/zinc/36/32/89/785363289.db2.gz QFRBROHEIXNZKB-UHFFFAOYSA-N 1 0 349.453 -1.005 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)C2=CCOCC2)CC1 ZINC001126141573 785364032 /nfs/dbraw/zinc/36/40/32/785364032.db2.gz VWLJADJHJNECDL-UHFFFAOYSA-N 1 0 338.408 -1.237 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C2=CCOCC2)CC1 ZINC001126141586 785363707 /nfs/dbraw/zinc/36/37/07/785363707.db2.gz WGWTVQBSNMMZAF-UHFFFAOYSA-N 1 0 338.408 -1.270 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C2=CCOCC2)C1 ZINC001126148943 785364807 /nfs/dbraw/zinc/36/48/07/785364807.db2.gz ZJBHESWPACKBOL-CYBMUJFWSA-N 1 0 338.408 -1.237 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C2=CCOCC2)C1 ZINC001126148944 785365024 /nfs/dbraw/zinc/36/50/24/785365024.db2.gz ZJBHESWPACKBOL-ZDUSSCGKSA-N 1 0 338.408 -1.237 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126153187 785365677 /nfs/dbraw/zinc/36/56/77/785365677.db2.gz DBSPVJLPRHGQGA-GHMZBOCLSA-N 1 0 341.412 -2.059 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126153188 785365799 /nfs/dbraw/zinc/36/57/99/785365799.db2.gz DBSPVJLPRHGQGA-MNOVXSKESA-N 1 0 341.412 -2.059 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126153189 785365528 /nfs/dbraw/zinc/36/55/28/785365528.db2.gz DBSPVJLPRHGQGA-QWRGUYRKSA-N 1 0 341.412 -2.059 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126153190 785365880 /nfs/dbraw/zinc/36/58/80/785365880.db2.gz DBSPVJLPRHGQGA-WDEREUQCSA-N 1 0 341.412 -2.059 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001126153285 785365512 /nfs/dbraw/zinc/36/55/12/785365512.db2.gz GOYCKUKSKUXBKL-UHFFFAOYSA-N 1 0 342.421 -1.193 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CC(=O)NC ZINC001126158128 785365660 /nfs/dbraw/zinc/36/56/60/785365660.db2.gz AFVKTQWMTFOKNO-UHFFFAOYSA-N 1 0 329.401 -2.187 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC001126158160 785365568 /nfs/dbraw/zinc/36/55/68/785365568.db2.gz BBRBRIXQSOEXHW-GFCCVEGCSA-N 1 0 336.396 -1.243 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC001126158163 785365858 /nfs/dbraw/zinc/36/58/58/785365858.db2.gz BBRBRIXQSOEXHW-LBPRGKRZSA-N 1 0 336.396 -1.243 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC001126158283 785365786 /nfs/dbraw/zinc/36/57/86/785365786.db2.gz DGWPGJREEBQBIN-UHFFFAOYSA-N 1 0 339.396 -1.307 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126158593 785365762 /nfs/dbraw/zinc/36/57/62/785365762.db2.gz GBHVSPNKJOFUKK-JTQLQIEISA-N 1 0 327.385 -2.448 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126158595 785365546 /nfs/dbraw/zinc/36/55/46/785365546.db2.gz GBHVSPNKJOFUKK-SNVBAGLBSA-N 1 0 327.385 -2.448 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001126158654 785365697 /nfs/dbraw/zinc/36/56/97/785365697.db2.gz GOQDLQXOXOFMIT-LLVKDONJSA-N 1 0 341.412 -2.093 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001126158657 785365743 /nfs/dbraw/zinc/36/57/43/785365743.db2.gz GOQDLQXOXOFMIT-NSHDSACASA-N 1 0 341.412 -2.093 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001126159149 785365717 /nfs/dbraw/zinc/36/57/17/785365717.db2.gz IBFHEAAJZNNQMT-LLVKDONJSA-N 1 0 336.396 -1.324 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001126159150 785365823 /nfs/dbraw/zinc/36/58/23/785365823.db2.gz IBFHEAAJZNNQMT-NSHDSACASA-N 1 0 336.396 -1.324 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001126159153 785366611 /nfs/dbraw/zinc/36/66/11/785366611.db2.gz IHJPPPOPTVJMLE-JTQLQIEISA-N 1 0 329.401 -1.301 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001126159154 785366685 /nfs/dbraw/zinc/36/66/85/785366685.db2.gz IHJPPPOPTVJMLE-SNVBAGLBSA-N 1 0 329.401 -1.301 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001126159194 785366798 /nfs/dbraw/zinc/36/67/98/785366798.db2.gz JPOZPKSHSFAUTR-UHFFFAOYSA-N 1 0 327.385 -2.481 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CCNS(=O)(=O)CCCOC ZINC001126159614 785366357 /nfs/dbraw/zinc/36/63/57/785366357.db2.gz OBZHQGUZPNTKSQ-UHFFFAOYSA-N 1 0 338.430 -2.216 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NCCCN1CCCC1=O ZINC001126159640 785365492 /nfs/dbraw/zinc/36/54/92/785365492.db2.gz OMPGNLFSXAKKPA-UHFFFAOYSA-N 1 0 341.412 -2.043 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001126159664 785366302 /nfs/dbraw/zinc/36/63/02/785366302.db2.gz PKVGAHHDMJFUKV-JTQLQIEISA-N 1 0 348.425 -2.526 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001126159665 785366583 /nfs/dbraw/zinc/36/65/83/785366583.db2.gz PKVGAHHDMJFUKV-SNVBAGLBSA-N 1 0 348.425 -2.526 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001126159791 785366214 /nfs/dbraw/zinc/36/62/14/785366214.db2.gz QTKVPLOFBKOUCG-UHFFFAOYSA-N 1 0 346.413 -2.460 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(=O)NC)CC1 ZINC001126159824 785366591 /nfs/dbraw/zinc/36/65/91/785366591.db2.gz RYBHJPVFVDMYBG-UHFFFAOYSA-N 1 0 341.412 -2.187 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001126159831 785366101 /nfs/dbraw/zinc/36/61/01/785366101.db2.gz SEOZUTDINLIKDF-JTQLQIEISA-N 1 0 341.412 -2.059 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001126159832 785366188 /nfs/dbraw/zinc/36/61/88/785366188.db2.gz SEOZUTDINLIKDF-SNVBAGLBSA-N 1 0 341.412 -2.059 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001126159868 785366416 /nfs/dbraw/zinc/36/64/16/785366416.db2.gz TVUOXJKXFHFTIS-UHFFFAOYSA-N 1 0 327.385 -2.433 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC001126159906 785366375 /nfs/dbraw/zinc/36/63/75/785366375.db2.gz VJHHXTPRLSOESV-LLVKDONJSA-N 1 0 336.396 -1.243 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC001126159907 785366696 /nfs/dbraw/zinc/36/66/96/785366696.db2.gz VJHHXTPRLSOESV-NSHDSACASA-N 1 0 336.396 -1.243 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001126159940 785366145 /nfs/dbraw/zinc/36/61/45/785366145.db2.gz WKUYCBYGILEYTD-UHFFFAOYSA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC001126159951 785366277 /nfs/dbraw/zinc/36/62/77/785366277.db2.gz WSFNLDHVAMWEHU-UHFFFAOYSA-N 1 0 341.290 -1.784 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001126159962 785366465 /nfs/dbraw/zinc/36/64/65/785366465.db2.gz XCPJZGBUXPLPPS-SECBINFHSA-N 1 0 331.373 -2.311 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001126159964 785366124 /nfs/dbraw/zinc/36/61/24/785366124.db2.gz XCPJZGBUXPLPPS-VIFPVBQESA-N 1 0 331.373 -2.311 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC001126161357 785366710 /nfs/dbraw/zinc/36/67/10/785366710.db2.gz ILRQKYQOVZBTET-GFCCVEGCSA-N 1 0 341.412 -2.045 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC001126161358 785366236 /nfs/dbraw/zinc/36/62/36/785366236.db2.gz ILRQKYQOVZBTET-LBPRGKRZSA-N 1 0 341.412 -2.045 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001126161409 785366811 /nfs/dbraw/zinc/36/68/11/785366811.db2.gz KWPBSAFPLDDDGT-JTQLQIEISA-N 1 0 348.425 -2.621 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001126161410 785366564 /nfs/dbraw/zinc/36/65/64/785366564.db2.gz KWPBSAFPLDDDGT-SNVBAGLBSA-N 1 0 348.425 -2.621 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC001126161689 785366449 /nfs/dbraw/zinc/36/64/49/785366449.db2.gz RSOCQNYLWNJUGM-UHFFFAOYSA-N 1 0 349.391 -1.146 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC001126161720 785366328 /nfs/dbraw/zinc/36/63/28/785366328.db2.gz SUPUMFRUPRAREV-UHFFFAOYSA-N 1 0 347.375 -1.186 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001126161782 785366340 /nfs/dbraw/zinc/36/63/40/785366340.db2.gz VCWQGRCABHGBOK-CYBMUJFWSA-N 1 0 348.403 -1.052 20 0 EAADRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001126161784 785366551 /nfs/dbraw/zinc/36/65/51/785366551.db2.gz VCWQGRCABHGBOK-ZDUSSCGKSA-N 1 0 348.403 -1.052 20 0 EAADRO 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CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126199856 785374058 /nfs/dbraw/zinc/37/40/58/785374058.db2.gz YZJWSSWUSZWQQJ-JTQLQIEISA-N 1 0 344.416 -2.266 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001126199858 785373666 /nfs/dbraw/zinc/37/36/66/785373666.db2.gz ZEGANRHTBNJZRO-BQBZGAKWSA-N 1 0 327.307 -1.184 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(N)=O)C(=O)NCC(F)(F)F ZINC001126199859 785374156 /nfs/dbraw/zinc/37/41/56/785374156.db2.gz ZEGANRHTBNJZRO-RQJHMYQMSA-N 1 0 327.307 -1.184 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O)s1 ZINC001126203990 785373694 /nfs/dbraw/zinc/37/36/94/785373694.db2.gz DDKNVVXGUIQNQO-LURJTMIESA-N 1 0 329.386 -1.452 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(N)=O)C(=O)NC(=O)NC(C)(C)C ZINC001126204042 785373598 /nfs/dbraw/zinc/37/35/98/785373598.db2.gz FOYMVXJISQFVHG-BDAKNGLRSA-N 1 0 344.416 -1.238 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001126204043 785374091 /nfs/dbraw/zinc/37/40/91/785374091.db2.gz FOYMVXJISQFVHG-IUCAKERBSA-N 1 0 344.416 -1.238 20 0 EAADRO CCn1nccc1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001126204635 785374186 /nfs/dbraw/zinc/37/41/86/785374186.db2.gz SSUXGUKSNXFLMY-UHFFFAOYSA-N 1 0 334.380 -1.180 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001126204690 785373875 /nfs/dbraw/zinc/37/38/75/785373875.db2.gz VBZVGHDAFWVKFW-CMPLNLGQSA-N 1 0 341.412 -1.614 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001126204691 785373654 /nfs/dbraw/zinc/37/36/54/785373654.db2.gz VBZVGHDAFWVKFW-JQWIXIFHSA-N 1 0 341.412 -1.614 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001126204755 785374006 /nfs/dbraw/zinc/37/40/06/785374006.db2.gz XAFKZKQIUNAIDD-VIFPVBQESA-N 1 0 344.416 -2.220 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001126204828 785373731 /nfs/dbraw/zinc/37/37/31/785373731.db2.gz YSVPJDFFGPOBCU-ZETCQYMHSA-N 1 0 327.307 -1.182 20 0 EAADRO CCn1nccc1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126204834 785373513 /nfs/dbraw/zinc/37/35/13/785373513.db2.gz YVIFYNMSKIKQLG-LLVKDONJSA-N 1 0 338.412 -1.185 20 0 EAADRO CCn1nccc1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126204836 785374307 /nfs/dbraw/zinc/37/43/07/785374307.db2.gz YVIFYNMSKIKQLG-NSHDSACASA-N 1 0 338.412 -1.185 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001126204851 785373906 /nfs/dbraw/zinc/37/39/06/785373906.db2.gz ZHNYRAANODARBN-VIFPVBQESA-N 1 0 342.400 -1.483 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126223676 785377069 /nfs/dbraw/zinc/37/70/69/785377069.db2.gz CFYLIWLPHCGSRU-LBPRGKRZSA-N 1 0 345.444 -1.072 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001126224210 785377444 /nfs/dbraw/zinc/37/74/44/785377444.db2.gz JFRWVVVXEKNIFA-VIFPVBQESA-N 1 0 342.400 -1.531 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CC1OCCCO1)NC(=O)NC1CC1 ZINC001126224548 785377319 /nfs/dbraw/zinc/37/73/19/785377319.db2.gz KTKXLELWZSPRIK-UHFFFAOYSA-N 1 0 328.369 -1.167 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126224788 785376699 /nfs/dbraw/zinc/37/66/99/785376699.db2.gz NOVPSCBDSXOTIF-BDAKNGLRSA-N 1 0 346.388 -2.390 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126224794 785377050 /nfs/dbraw/zinc/37/70/50/785377050.db2.gz NOVPSCBDSXOTIF-IUCAKERBSA-N 1 0 346.388 -2.390 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001126225061 785376552 /nfs/dbraw/zinc/37/65/52/785376552.db2.gz RKULJBGMPSONGI-DTWKUNHWSA-N 1 0 330.389 -2.658 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126225064 785376893 /nfs/dbraw/zinc/37/68/93/785376893.db2.gz RKULJBGMPSONGI-IUCAKERBSA-N 1 0 330.389 -2.658 20 0 EAADRO O=C(CC1OCCCO1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126225429 785377549 /nfs/dbraw/zinc/37/75/49/785377549.db2.gz WAXAMCMOZMOWCT-UHFFFAOYSA-N 1 0 328.369 -2.196 20 0 EAADRO O=C(CC1OCCCO1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001126225445 785376913 /nfs/dbraw/zinc/37/69/13/785376913.db2.gz WQRIZEAROOTMKX-UHFFFAOYSA-N 1 0 335.426 -1.119 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001126225484 785376499 /nfs/dbraw/zinc/37/64/99/785376499.db2.gz YMLXHBYXHSQZSM-JTQLQIEISA-N 1 0 342.400 -2.512 20 0 EAADRO O=C(CC1OCCCO1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001126227453 785377258 /nfs/dbraw/zinc/37/72/58/785377258.db2.gz IWRKOPPLJDHZAJ-UHFFFAOYSA-N 1 0 328.369 -1.213 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CC1OCCCO1)NC[C@H]1CCOC1 ZINC001126228455 785377024 /nfs/dbraw/zinc/37/70/24/785377024.db2.gz QTKBEMYUOFXTHG-GFCCVEGCSA-N 1 0 329.397 -1.002 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CC1OCCCO1)NC[C@@H]1CCOC1 ZINC001126228457 785377513 /nfs/dbraw/zinc/37/75/13/785377513.db2.gz QTKBEMYUOFXTHG-LBPRGKRZSA-N 1 0 329.397 -1.002 20 0 EAADRO O=C(CC1OCCCO1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001126228515 785377896 /nfs/dbraw/zinc/37/78/96/785377896.db2.gz SEDKIJZGARGSQK-LBPRGKRZSA-N 1 0 329.397 -1.171 20 0 EAADRO O=C(CC1OCCCO1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126228768 785377559 /nfs/dbraw/zinc/37/75/59/785377559.db2.gz WWPDLRVPWLZNJL-LLVKDONJSA-N 1 0 343.380 -1.645 20 0 EAADRO O=C(CC1OCCCO1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126228774 785376773 /nfs/dbraw/zinc/37/67/73/785376773.db2.gz WWPDLRVPWLZNJL-NSHDSACASA-N 1 0 343.380 -1.645 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)CC2OCCCO2)cc(=O)n(C)c1=O ZINC001126232415 785377798 /nfs/dbraw/zinc/37/77/98/785377798.db2.gz DPHSNMZFGQDIQZ-UHFFFAOYSA-N 1 0 340.380 -1.557 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CC1OCCCO1)C(=O)N(C)C ZINC001126233217 785377877 /nfs/dbraw/zinc/37/78/77/785377877.db2.gz VOJPIYITFKMALI-LLVKDONJSA-N 1 0 344.412 -1.562 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CC1OCCCO1)C(=O)N(C)C ZINC001126233218 785377355 /nfs/dbraw/zinc/37/73/55/785377355.db2.gz VOJPIYITFKMALI-NSHDSACASA-N 1 0 344.412 -1.562 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)cnn1 ZINC001126263697 785379485 /nfs/dbraw/zinc/37/94/85/785379485.db2.gz BOBUQRJOENXGQD-UHFFFAOYSA-N 1 0 348.407 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126264201 785379582 /nfs/dbraw/zinc/37/95/82/785379582.db2.gz KQPRNMJROGUSSW-JTQLQIEISA-N 1 0 325.373 -1.392 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126264202 785378284 /nfs/dbraw/zinc/37/82/84/785378284.db2.gz KQPRNMJROGUSSW-SNVBAGLBSA-N 1 0 325.373 -1.392 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cnn1 ZINC001126265077 785378404 /nfs/dbraw/zinc/37/84/04/785378404.db2.gz XFXXBAMOWULLMT-LLVKDONJSA-N 1 0 336.396 -1.303 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)cnn1 ZINC001126265081 785378862 /nfs/dbraw/zinc/37/88/62/785378862.db2.gz XFXXBAMOWULLMT-NSHDSACASA-N 1 0 336.396 -1.303 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270200 785378721 /nfs/dbraw/zinc/37/87/21/785378721.db2.gz BZIPZJDPPVKZKA-UHFFFAOYSA-N 1 0 325.373 -1.390 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)CCn2ccnn2)C1 ZINC001126270300 785378601 /nfs/dbraw/zinc/37/86/01/785378601.db2.gz GQJXEPXOQTWMNP-GFCCVEGCSA-N 1 0 344.441 -1.345 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)CCn2ccnn2)C1 ZINC001126270301 785379039 /nfs/dbraw/zinc/37/90/39/785379039.db2.gz GQJXEPXOQTWMNP-LBPRGKRZSA-N 1 0 344.441 -1.345 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270543 785378242 /nfs/dbraw/zinc/37/82/42/785378242.db2.gz RETYMISINSCAHB-CHWSQXEVSA-N 1 0 329.401 -1.214 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270544 785378997 /nfs/dbraw/zinc/37/89/97/785378997.db2.gz RETYMISINSCAHB-OLZOCXBDSA-N 1 0 329.401 -1.214 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270545 785378312 /nfs/dbraw/zinc/37/83/12/785378312.db2.gz RETYMISINSCAHB-QWHCGFSZSA-N 1 0 329.401 -1.214 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270546 785378396 /nfs/dbraw/zinc/37/83/96/785378396.db2.gz RETYMISINSCAHB-STQMWFEESA-N 1 0 329.401 -1.214 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270610 785378686 /nfs/dbraw/zinc/37/86/86/785378686.db2.gz VIPJIEBVAMOHIG-UHFFFAOYSA-N 1 0 332.430 -1.297 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001126270629 785379093 /nfs/dbraw/zinc/37/90/93/785379093.db2.gz WGBUPEIWEPJSFA-UHFFFAOYSA-N 1 0 330.414 -1.591 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)cnn1 ZINC001126275053 785379242 /nfs/dbraw/zinc/37/92/42/785379242.db2.gz FTXPOXSUVRIUQY-GFCCVEGCSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)cnn1 ZINC001126275055 785378852 /nfs/dbraw/zinc/37/88/52/785378852.db2.gz FTXPOXSUVRIUQY-LBPRGKRZSA-N 1 0 335.364 -1.386 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cnnc(C)c2)CC1 ZINC001126275167 785379525 /nfs/dbraw/zinc/37/95/25/785379525.db2.gz IRWMMZIOZCCAOL-UHFFFAOYSA-N 1 0 348.407 -1.205 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)cnn1 ZINC001126276271 785378924 /nfs/dbraw/zinc/37/89/24/785378924.db2.gz YMJSBPBHUVDFRI-UHFFFAOYSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cnn1 ZINC001126281048 785380281 /nfs/dbraw/zinc/38/02/81/785380281.db2.gz BAIOGYUSPHDXJG-UHFFFAOYSA-N 1 0 332.364 -1.298 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281345 785380863 /nfs/dbraw/zinc/38/08/63/785380863.db2.gz HSZHYBNQVOOZFB-UHFFFAOYSA-N 1 0 347.441 -1.175 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126281362 785380793 /nfs/dbraw/zinc/38/07/93/785380793.db2.gz IDRZWZQKUORBMU-LLVKDONJSA-N 1 0 338.368 -2.116 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126281363 785380577 /nfs/dbraw/zinc/38/05/77/785380577.db2.gz IDRZWZQKUORBMU-NSHDSACASA-N 1 0 338.368 -2.116 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)CCn3ccnn3)C2=O)n1 ZINC001126281376 785380197 /nfs/dbraw/zinc/38/01/97/785380197.db2.gz IKFAKNOUTCPTDZ-GFCCVEGCSA-N 1 0 346.395 -1.087 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)CCn3ccnn3)C2=O)n1 ZINC001126281378 785379952 /nfs/dbraw/zinc/37/99/52/785379952.db2.gz IKFAKNOUTCPTDZ-LBPRGKRZSA-N 1 0 346.395 -1.087 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281393 785380671 /nfs/dbraw/zinc/38/06/71/785380671.db2.gz IOWWGQTXSZZVJF-UHFFFAOYSA-N 1 0 332.430 -1.345 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001126281409 785380032 /nfs/dbraw/zinc/38/00/32/785380032.db2.gz IXIQILNJRIUVFK-KBPBESRZSA-N 1 0 341.412 -1.070 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001126281410 785380915 /nfs/dbraw/zinc/38/09/15/785380915.db2.gz IXIQILNJRIUVFK-KGLIPLIRSA-N 1 0 341.412 -1.070 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001126281411 785380740 /nfs/dbraw/zinc/38/07/40/785380740.db2.gz IXIQILNJRIUVFK-UONOGXRCSA-N 1 0 341.412 -1.070 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001126281413 785381215 /nfs/dbraw/zinc/38/12/15/785381215.db2.gz IXIQILNJRIUVFK-ZIAGYGMSSA-N 1 0 341.412 -1.070 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)CCn2ccnn2)n(C)c1=O ZINC001126281447 785380939 /nfs/dbraw/zinc/38/09/39/785380939.db2.gz JCRQWMMOQWOJJP-UHFFFAOYSA-N 1 0 335.368 -2.028 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281458 785380334 /nfs/dbraw/zinc/38/03/34/785380334.db2.gz JOLHDUTWYZFRCY-UHFFFAOYSA-N 1 0 339.400 -1.002 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001126281483 785380828 /nfs/dbraw/zinc/38/08/28/785380828.db2.gz KRBTXLMQOPNTAE-CYBMUJFWSA-N 1 0 341.412 -1.070 20 0 EAADRO O=C(CCn1ccnn1)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001126281484 785381147 /nfs/dbraw/zinc/38/11/47/785381147.db2.gz KRBTXLMQOPNTAE-ZDUSSCGKSA-N 1 0 341.412 -1.070 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)cnn1 ZINC001126281503 785380001 /nfs/dbraw/zinc/38/00/01/785380001.db2.gz LFPOQPNSDDUCOT-GFCCVEGCSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)cnn1 ZINC001126281504 785380485 /nfs/dbraw/zinc/38/04/85/785380485.db2.gz LFPOQPNSDDUCOT-LBPRGKRZSA-N 1 0 348.407 -1.172 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)CCn3ccnn3)C2=O)cn1 ZINC001126281717 785380182 /nfs/dbraw/zinc/38/01/82/785380182.db2.gz QJBAUQXYKCYQKE-CYBMUJFWSA-N 1 0 346.395 -1.087 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)CCn3ccnn3)C2=O)cn1 ZINC001126281718 785380993 /nfs/dbraw/zinc/38/09/93/785380993.db2.gz QJBAUQXYKCYQKE-ZDUSSCGKSA-N 1 0 346.395 -1.087 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281722 785380128 /nfs/dbraw/zinc/38/01/28/785380128.db2.gz QPMVNIXTPQOGRS-UHFFFAOYSA-N 1 0 348.411 -1.234 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281899 785381115 /nfs/dbraw/zinc/38/11/15/785381115.db2.gz UMBYDYBZKRYVNS-UHFFFAOYSA-N 1 0 339.400 -1.144 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281926 785380894 /nfs/dbraw/zinc/38/08/94/785380894.db2.gz VRIXJXDEOJFAJC-LLVKDONJSA-N 1 0 339.400 -1.003 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281927 785380081 /nfs/dbraw/zinc/38/00/81/785380081.db2.gz VRIXJXDEOJFAJC-NSHDSACASA-N 1 0 339.400 -1.003 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281950 785380504 /nfs/dbraw/zinc/38/05/04/785380504.db2.gz WTUVKTDXILDDRE-UHFFFAOYSA-N 1 0 339.400 -1.000 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1ccnn1)C(=O)NC(=O)NC1CC1 ZINC001126282031 785380526 /nfs/dbraw/zinc/38/05/26/785380526.db2.gz ZYZSITDCDBMXDF-JTQLQIEISA-N 1 0 337.384 -1.249 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1ccnn1)C(=O)NC(=O)NC1CC1 ZINC001126282032 785380840 /nfs/dbraw/zinc/38/08/40/785380840.db2.gz ZYZSITDCDBMXDF-SNVBAGLBSA-N 1 0 337.384 -1.249 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001126287119 785381995 /nfs/dbraw/zinc/38/19/95/785381995.db2.gz AOGQNZAXLSPDSU-GFCCVEGCSA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001126287120 785381946 /nfs/dbraw/zinc/38/19/46/785381946.db2.gz AOGQNZAXLSPDSU-LBPRGKRZSA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001126287129 785382499 /nfs/dbraw/zinc/38/24/99/785382499.db2.gz AXHRHZWFHNDERM-UHFFFAOYSA-N 1 0 326.397 -1.534 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126287163 785382333 /nfs/dbraw/zinc/38/23/33/785382333.db2.gz BTSKXWLJEIPCGA-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001126287337 785382708 /nfs/dbraw/zinc/38/27/08/785382708.db2.gz GTMSJLMUERVOEB-UHFFFAOYSA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001126287458 785381688 /nfs/dbraw/zinc/38/16/88/785381688.db2.gz JRLKQSDTASVIEY-UHFFFAOYSA-N 1 0 325.369 -2.871 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001126287460 785381610 /nfs/dbraw/zinc/38/16/10/785381610.db2.gz JTGPPIATCQPZLN-UHFFFAOYSA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001126287495 785381482 /nfs/dbraw/zinc/38/14/82/785381482.db2.gz KNIFDLLJTBEZFC-UHFFFAOYSA-N 1 0 326.382 -1.339 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001126287542 785383008 /nfs/dbraw/zinc/38/30/08/785383008.db2.gz LWMOOUAOJLKRRD-UHFFFAOYSA-N 1 0 325.369 -1.841 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001126287563 785381512 /nfs/dbraw/zinc/38/15/12/785381512.db2.gz MJLDVQBXDJTPNN-JTQLQIEISA-N 1 0 334.380 -1.012 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001126287565 785382666 /nfs/dbraw/zinc/38/26/66/785382666.db2.gz MJLDVQBXDJTPNN-SNVBAGLBSA-N 1 0 334.380 -1.012 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001126287587 785382915 /nfs/dbraw/zinc/38/29/15/785382915.db2.gz NDUUQJSZVJYVOD-CYBMUJFWSA-N 1 0 326.397 -1.534 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001126287588 785382368 /nfs/dbraw/zinc/38/23/68/785382368.db2.gz NDUUQJSZVJYVOD-ZDUSSCGKSA-N 1 0 326.397 -1.534 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126287590 785381751 /nfs/dbraw/zinc/38/17/51/785381751.db2.gz NDXBGNCSMDQMDX-GFCCVEGCSA-N 1 0 326.401 -1.085 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126287591 785381977 /nfs/dbraw/zinc/38/19/77/785381977.db2.gz NDXBGNCSMDQMDX-LBPRGKRZSA-N 1 0 326.401 -1.085 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001126287595 785381550 /nfs/dbraw/zinc/38/15/50/785381550.db2.gz NGKXPEFZUXJEAN-ZDUSSCGKSA-N 1 0 326.397 -1.846 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001126287604 785382894 /nfs/dbraw/zinc/38/28/94/785382894.db2.gz NNZQYFDGAVLXGY-UHFFFAOYSA-N 1 0 332.426 -1.794 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)CCn2ccnn2)C1=O ZINC001126287612 785382655 /nfs/dbraw/zinc/38/26/55/785382655.db2.gz NSRCCRKKZBKNNP-UHFFFAOYSA-N 1 0 337.384 -1.296 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCn1ccnn1)C(=O)N(C)C ZINC001126287713 785381875 /nfs/dbraw/zinc/38/18/75/785381875.db2.gz QGHCMMZYRJHZRH-LLVKDONJSA-N 1 0 339.400 -2.033 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCn1ccnn1)C(=O)N(C)C ZINC001126287714 785382875 /nfs/dbraw/zinc/38/28/75/785382875.db2.gz QGHCMMZYRJHZRH-NSHDSACASA-N 1 0 339.400 -2.033 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)Nc2nnc(C)s2)C1 ZINC001126287728 785382120 /nfs/dbraw/zinc/38/21/20/785382120.db2.gz QWPJRDOXWBHZQT-UHFFFAOYSA-N 1 0 340.409 -1.031 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001126287736 785382243 /nfs/dbraw/zinc/38/22/43/785382243.db2.gz RAAOZOWIHWQWRL-UHFFFAOYSA-N 1 0 333.392 -1.118 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126287737 785381642 /nfs/dbraw/zinc/38/16/42/785381642.db2.gz RBACGOBJQBZNRE-UHFFFAOYSA-N 1 0 327.385 -1.594 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126288026 785382580 /nfs/dbraw/zinc/38/25/80/785382580.db2.gz ZRPNJMCXUKBBPW-SECBINFHSA-N 1 0 327.385 -1.595 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126288027 785381955 /nfs/dbraw/zinc/38/19/55/785381955.db2.gz ZRPNJMCXUKBBPW-VIFPVBQESA-N 1 0 327.385 -1.595 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)cc1=O ZINC001126291771 785384021 /nfs/dbraw/zinc/38/40/21/785384021.db2.gz FBHULXRIJRPJNA-UHFFFAOYSA-N 1 0 325.325 -1.714 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126291776 785384160 /nfs/dbraw/zinc/38/41/60/785384160.db2.gz FCSLGRFHPRFCCI-BXUZGUMPSA-N 1 0 331.413 -1.417 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126291777 785384150 /nfs/dbraw/zinc/38/41/50/785384150.db2.gz FCSLGRFHPRFCCI-FZMZJTMJSA-N 1 0 331.413 -1.417 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126291778 785383311 /nfs/dbraw/zinc/38/33/11/785383311.db2.gz FCSLGRFHPRFCCI-RISCZKNCSA-N 1 0 331.413 -1.417 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126291779 785383682 /nfs/dbraw/zinc/38/36/82/785383682.db2.gz FCSLGRFHPRFCCI-SMDDNHRTSA-N 1 0 331.413 -1.417 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001126291904 785383871 /nfs/dbraw/zinc/38/38/71/785383871.db2.gz GHSKAYIGOBXJMC-GFCCVEGCSA-N 1 0 346.453 -1.548 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001126291905 785383750 /nfs/dbraw/zinc/38/37/50/785383750.db2.gz GHSKAYIGOBXJMC-LBPRGKRZSA-N 1 0 346.453 -1.548 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1=O ZINC001126292152 785383492 /nfs/dbraw/zinc/38/34/92/785383492.db2.gz MLOCDMPCKGIUHC-UHFFFAOYSA-N 1 0 325.325 -2.744 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001126292159 785383431 /nfs/dbraw/zinc/38/34/31/785383431.db2.gz MUFNSUSPIJDGTM-GFCCVEGCSA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001126292160 785384282 /nfs/dbraw/zinc/38/42/82/785384282.db2.gz MUFNSUSPIJDGTM-LBPRGKRZSA-N 1 0 331.438 -1.005 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)cc1=O ZINC001126292348 785383761 /nfs/dbraw/zinc/38/37/61/785383761.db2.gz RBRZWOWJRYPXNX-JTQLQIEISA-N 1 0 326.353 -1.407 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)cc1=O ZINC001126292349 785383690 /nfs/dbraw/zinc/38/36/90/785383690.db2.gz RBRZWOWJRYPXNX-SNVBAGLBSA-N 1 0 326.353 -1.407 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)cc1=O ZINC001126292484 785383775 /nfs/dbraw/zinc/38/37/75/785383775.db2.gz TWGDPTJEVGYOOV-UHFFFAOYSA-N 1 0 332.382 -1.667 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126292521 785384041 /nfs/dbraw/zinc/38/40/41/785384041.db2.gz VCRISPIITPLXFG-UHFFFAOYSA-N 1 0 327.341 -1.467 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1=O ZINC001126292550 785383668 /nfs/dbraw/zinc/38/36/68/785383668.db2.gz VQCONSRWJCQYAN-UHFFFAOYSA-N 1 0 332.320 -1.166 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)cc1=O ZINC001126292631 785383382 /nfs/dbraw/zinc/38/33/82/785383382.db2.gz XDIYVVFLQDUVOF-UHFFFAOYSA-N 1 0 326.338 -1.212 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126292794 785384206 /nfs/dbraw/zinc/38/42/06/785384206.db2.gz YKLPHERASSZHJR-UHFFFAOYSA-N 1 0 334.398 -1.373 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001126297042 785385100 /nfs/dbraw/zinc/38/51/00/785385100.db2.gz AZAHCOOCQRUYHC-LLVKDONJSA-N 1 0 326.397 -1.582 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001126297043 785385297 /nfs/dbraw/zinc/38/52/97/785385297.db2.gz AZAHCOOCQRUYHC-NSHDSACASA-N 1 0 326.397 -1.582 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001126297063 785385463 /nfs/dbraw/zinc/38/54/63/785385463.db2.gz BUCSAIMQWBFQHO-UHFFFAOYSA-N 1 0 341.412 -1.348 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)cc1=O ZINC001126297064 785385233 /nfs/dbraw/zinc/38/52/33/785385233.db2.gz BVRKXPXVXOSAEA-JTQLQIEISA-N 1 0 326.353 -1.719 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001126297068 785385573 /nfs/dbraw/zinc/38/55/73/785385573.db2.gz CCNSWBBCXMPAQW-UHFFFAOYSA-N 1 0 325.369 -1.888 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC001126297069 785385675 /nfs/dbraw/zinc/38/56/75/785385675.db2.gz CCSRPVPSLPZROK-CYBMUJFWSA-N 1 0 348.407 -1.291 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC001126297070 785385514 /nfs/dbraw/zinc/38/55/14/785385514.db2.gz CCSRPVPSLPZROK-ZDUSSCGKSA-N 1 0 348.407 -1.291 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001126297131 785385426 /nfs/dbraw/zinc/38/54/26/785385426.db2.gz FHMYDPRKQHIIFW-UHFFFAOYSA-N 1 0 334.442 -1.548 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297149 785385781 /nfs/dbraw/zinc/38/57/81/785385781.db2.gz GBKLNWARHRYKFM-UHFFFAOYSA-N 1 0 349.409 -1.251 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cc(=O)n(C)o3)C2=O)cn1 ZINC001126297180 785385408 /nfs/dbraw/zinc/38/54/08/785385408.db2.gz HDQQCSRAAOWGMV-LLVKDONJSA-N 1 0 348.363 -1.163 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cc(=O)n(C)o3)C2=O)cn1 ZINC001126297181 785385174 /nfs/dbraw/zinc/38/51/74/785385174.db2.gz HDQQCSRAAOWGMV-NSHDSACASA-N 1 0 348.363 -1.163 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)cc1=O ZINC001126297210 785385756 /nfs/dbraw/zinc/38/57/56/785385756.db2.gz IHMYDWAYWCUHRU-SECBINFHSA-N 1 0 340.336 -2.192 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)cc1=O ZINC001126297211 785385546 /nfs/dbraw/zinc/38/55/46/785385546.db2.gz IHMYDWAYWCUHRU-VIFPVBQESA-N 1 0 340.336 -2.192 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001126297222 785385614 /nfs/dbraw/zinc/38/56/14/785385614.db2.gz IUZLSIZWPPBUJQ-UHFFFAOYSA-N 1 0 341.412 -1.205 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1=O ZINC001126297235 785385732 /nfs/dbraw/zinc/38/57/32/785385732.db2.gz JDFIWWJMQHKZNB-JTQLQIEISA-N 1 0 346.409 -1.421 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1=O ZINC001126297236 785385082 /nfs/dbraw/zinc/38/50/82/785385082.db2.gz JDFIWWJMQHKZNB-SNVBAGLBSA-N 1 0 346.409 -1.421 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)cc1=O ZINC001126297305 785385762 /nfs/dbraw/zinc/38/57/62/785385762.db2.gz MJKPJZBGRSNPQK-UHFFFAOYSA-N 1 0 325.325 -1.760 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297317 785385776 /nfs/dbraw/zinc/38/57/76/785385776.db2.gz MTOMVNDGADSDKL-GHMZBOCLSA-N 1 0 331.369 -1.290 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297318 785385503 /nfs/dbraw/zinc/38/55/03/785385503.db2.gz MTOMVNDGADSDKL-MNOVXSKESA-N 1 0 331.369 -1.290 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297319 785385260 /nfs/dbraw/zinc/38/52/60/785385260.db2.gz MTOMVNDGADSDKL-QWRGUYRKSA-N 1 0 331.369 -1.290 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297320 785385161 /nfs/dbraw/zinc/38/51/61/785385161.db2.gz MTOMVNDGADSDKL-WDEREUQCSA-N 1 0 331.369 -1.290 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297347 785385376 /nfs/dbraw/zinc/38/53/76/785385376.db2.gz NXANSGJTWXHTCT-UHFFFAOYSA-N 1 0 334.398 -1.421 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001126297408 785385526 /nfs/dbraw/zinc/38/55/26/785385526.db2.gz QQMDCBRFALNRPY-AWEZNQCLSA-N 1 0 348.407 -1.291 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001126297409 785385743 /nfs/dbraw/zinc/38/57/43/785385743.db2.gz QQMDCBRFALNRPY-CQSZACIVSA-N 1 0 348.407 -1.291 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)o2)CCO1 ZINC001126297430 785385243 /nfs/dbraw/zinc/38/52/43/785385243.db2.gz ROMJUUMDFQVVHO-JTQLQIEISA-N 1 0 326.353 -1.455 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)o2)CCO1 ZINC001126297431 785385386 /nfs/dbraw/zinc/38/53/86/785385386.db2.gz ROMJUUMDFQVVHO-SNVBAGLBSA-N 1 0 326.353 -1.455 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297438 785385210 /nfs/dbraw/zinc/38/52/10/785385210.db2.gz RZNTXAIADQYZNI-UHFFFAOYSA-N 1 0 341.368 -1.221 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126297502 785385594 /nfs/dbraw/zinc/38/55/94/785385594.db2.gz VUUMMFMOPVNZRZ-UHFFFAOYSA-N 1 0 349.453 -1.378 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1=O ZINC001126297514 785385272 /nfs/dbraw/zinc/38/52/72/785385272.db2.gz WMBCWBZSAAGNSQ-UHFFFAOYSA-N 1 0 341.368 -1.078 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001126297636 785385563 /nfs/dbraw/zinc/38/55/63/785385563.db2.gz XHWVHBPJRFKMEK-GFCCVEGCSA-N 1 0 340.380 -2.320 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001126297637 785385284 /nfs/dbraw/zinc/38/52/84/785385284.db2.gz XHWVHBPJRFKMEK-LBPRGKRZSA-N 1 0 340.380 -2.320 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001126301537 785386856 /nfs/dbraw/zinc/38/68/56/785386856.db2.gz AJUBDWFAUIWYFX-JTQLQIEISA-N 1 0 341.412 -2.237 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001126301543 785386888 /nfs/dbraw/zinc/38/68/88/785386888.db2.gz AJUBDWFAUIWYFX-SNVBAGLBSA-N 1 0 341.412 -2.237 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001126301548 785386496 /nfs/dbraw/zinc/38/64/96/785386496.db2.gz ALBSMDNHHJTUBZ-UHFFFAOYSA-N 1 0 337.380 -2.232 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)Nc2cc(C)nn2C)C1 ZINC001126301649 785386524 /nfs/dbraw/zinc/38/65/24/785386524.db2.gz CSDRWJGITYEAJQ-UHFFFAOYSA-N 1 0 336.396 -1.149 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126301699 785386625 /nfs/dbraw/zinc/38/66/25/785386625.db2.gz DYODSWGVCWVGNV-LLVKDONJSA-N 1 0 328.413 -1.288 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126301700 785386715 /nfs/dbraw/zinc/38/67/15/785386715.db2.gz DYODSWGVCWVGNV-NSHDSACASA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)o2)C[C@@H](C)O1 ZINC001126301947 785387028 /nfs/dbraw/zinc/38/70/28/785387028.db2.gz MTTLRASNZNSHNB-GHMZBOCLSA-N 1 0 340.380 -1.067 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)o2)C[C@H](C)O1 ZINC001126301948 785386840 /nfs/dbraw/zinc/38/68/40/785386840.db2.gz MTTLRASNZNSHNB-PHIMTYICSA-N 1 0 340.380 -1.067 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)o2)C[C@H](C)O1 ZINC001126301949 785386326 /nfs/dbraw/zinc/38/63/26/785386326.db2.gz MTTLRASNZNSHNB-QWRGUYRKSA-N 1 0 340.380 -1.067 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126301960 785386905 /nfs/dbraw/zinc/38/69/05/785386905.db2.gz MZIIUFOJSXVTDH-MRVPVSSYSA-N 1 0 327.341 -1.468 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126301961 785386475 /nfs/dbraw/zinc/38/64/75/785386475.db2.gz MZIIUFOJSXVTDH-QMMMGPOBSA-N 1 0 327.341 -1.468 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126301964 785386061 /nfs/dbraw/zinc/38/60/61/785386061.db2.gz NDKYCWMGYDBVMG-UHFFFAOYSA-N 1 0 341.412 -1.204 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001126301976 785386139 /nfs/dbraw/zinc/38/61/39/785386139.db2.gz NRLXZFXEGVIPHT-RYUDHWBXSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001126301977 785386572 /nfs/dbraw/zinc/38/65/72/785386572.db2.gz NRLXZFXEGVIPHT-TXEJJXNPSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001126301978 785386099 /nfs/dbraw/zinc/38/60/99/785386099.db2.gz NRLXZFXEGVIPHT-VXGBXAGGSA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001126301980 785386023 /nfs/dbraw/zinc/38/60/23/785386023.db2.gz NTPFNEBERSKKEV-UHFFFAOYSA-N 1 0 339.396 -1.499 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)cc1=O ZINC001126302010 785386734 /nfs/dbraw/zinc/38/67/34/785386734.db2.gz OPLPKEHOIJOXIG-LLVKDONJSA-N 1 0 343.380 -1.146 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)cc1=O ZINC001126302011 785386813 /nfs/dbraw/zinc/38/68/13/785386813.db2.gz OPLPKEHOIJOXIG-NSHDSACASA-N 1 0 343.380 -1.146 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001126302016 785386868 /nfs/dbraw/zinc/38/68/68/785386868.db2.gz PCXSPISWZLRHJS-JTQLQIEISA-N 1 0 341.412 -1.207 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001126302017 785386822 /nfs/dbraw/zinc/38/68/22/785386822.db2.gz PCXSPISWZLRHJS-SNVBAGLBSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001126302071 785387054 /nfs/dbraw/zinc/38/70/54/785387054.db2.gz RDZRLOAZSLMZFI-SECBINFHSA-N 1 0 339.396 -1.453 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001126302072 785386590 /nfs/dbraw/zinc/38/65/90/785386590.db2.gz RDZRLOAZSLMZFI-VIFPVBQESA-N 1 0 339.396 -1.453 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)cc1=O ZINC001126302074 785387067 /nfs/dbraw/zinc/38/70/67/785387067.db2.gz RIZWKEVCTZPOII-JTQLQIEISA-N 1 0 326.353 -1.550 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)cc1=O ZINC001126302075 785386385 /nfs/dbraw/zinc/38/63/85/785386385.db2.gz RIZWKEVCTZPOII-SNVBAGLBSA-N 1 0 326.353 -1.550 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3cc(=O)n(C)o3)C2=O)n1 ZINC001126302124 785386299 /nfs/dbraw/zinc/38/62/99/785386299.db2.gz VCHBVCBOMSRLAI-JTQLQIEISA-N 1 0 348.363 -1.163 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3cc(=O)n(C)o3)C2=O)n1 ZINC001126302125 785385999 /nfs/dbraw/zinc/38/59/99/785385999.db2.gz VCHBVCBOMSRLAI-SNVBAGLBSA-N 1 0 348.363 -1.163 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC001126302126 785386133 /nfs/dbraw/zinc/38/61/33/785386133.db2.gz VCUYTDPYUSPEEN-CABCVRRESA-N 1 0 343.424 -1.273 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC001126302127 785386946 /nfs/dbraw/zinc/38/69/46/785386946.db2.gz VCUYTDPYUSPEEN-GJZGRUSLSA-N 1 0 343.424 -1.273 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC001126302128 785386540 /nfs/dbraw/zinc/38/65/40/785386540.db2.gz VCUYTDPYUSPEEN-HUUCEWRRSA-N 1 0 343.424 -1.273 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)C1 ZINC001126302129 785386610 /nfs/dbraw/zinc/38/66/10/785386610.db2.gz VCUYTDPYUSPEEN-LSDHHAIUSA-N 1 0 343.424 -1.273 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001126302157 785387087 /nfs/dbraw/zinc/38/70/87/785387087.db2.gz WIANJDORSHKGNR-AWEZNQCLSA-N 1 0 343.424 -1.273 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001126302158 785387041 /nfs/dbraw/zinc/38/70/41/785387041.db2.gz WIANJDORSHKGNR-CQSZACIVSA-N 1 0 343.424 -1.273 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)cc1=O ZINC001126302188 785386933 /nfs/dbraw/zinc/38/69/33/785386933.db2.gz XNGZMDIWJDITHO-UHFFFAOYSA-N 1 0 326.353 -1.407 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC001126302191 785387095 /nfs/dbraw/zinc/38/70/95/785387095.db2.gz XQMOKZGOLXKJDX-BXUZGUMPSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC001126302192 785387129 /nfs/dbraw/zinc/38/71/29/785387129.db2.gz XQMOKZGOLXKJDX-FZMZJTMJSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC001126302193 785386286 /nfs/dbraw/zinc/38/62/86/785386286.db2.gz XQMOKZGOLXKJDX-RISCZKNCSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC001126302194 785386788 /nfs/dbraw/zinc/38/67/88/785386788.db2.gz XQMOKZGOLXKJDX-SMDDNHRTSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001126302232 785387012 /nfs/dbraw/zinc/38/70/12/785387012.db2.gz ZLKIHUMYURPLDZ-GFCCVEGCSA-N 1 0 326.397 -1.677 20 0 EAADRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001126302233 785386160 /nfs/dbraw/zinc/38/61/60/785386160.db2.gz ZLKIHUMYURPLDZ-LBPRGKRZSA-N 1 0 326.397 -1.677 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)cc1=O ZINC001126307440 785388189 /nfs/dbraw/zinc/38/81/89/785388189.db2.gz UEEJYYNBAARDSB-UHFFFAOYSA-N 1 0 339.352 -1.372 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)cc1=O ZINC001126307450 785387770 /nfs/dbraw/zinc/38/77/70/785387770.db2.gz UILKCTRVJCZZIX-NEPJUHHUSA-N 1 0 343.380 -1.146 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)cc1=O ZINC001126307452 785388106 /nfs/dbraw/zinc/38/81/06/785388106.db2.gz UILKCTRVJCZZIX-NWDGAFQWSA-N 1 0 343.380 -1.146 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)cc1=O ZINC001126307454 785387607 /nfs/dbraw/zinc/38/76/07/785387607.db2.gz UILKCTRVJCZZIX-RYUDHWBXSA-N 1 0 343.380 -1.146 20 0 EAADRO Cn1oc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)cc1=O ZINC001126307455 785388770 /nfs/dbraw/zinc/38/87/70/785388770.db2.gz UILKCTRVJCZZIX-VXGBXAGGSA-N 1 0 343.380 -1.146 20 0 EAADRO COC1(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC001126317189 785391649 /nfs/dbraw/zinc/39/16/49/785391649.db2.gz RQJDROKIQOAFEH-UHFFFAOYSA-N 1 0 326.397 -1.390 20 0 EAADRO C[C@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126351467 785430382 /nfs/dbraw/zinc/43/03/82/785430382.db2.gz PCDYHNUDFWIVMV-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126351469 785430689 /nfs/dbraw/zinc/43/06/89/785430689.db2.gz PCDYHNUDFWIVMV-NWDGAFQWSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126351470 785430513 /nfs/dbraw/zinc/43/05/13/785430513.db2.gz PCDYHNUDFWIVMV-RYUDHWBXSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126351471 785430299 /nfs/dbraw/zinc/43/02/99/785430299.db2.gz PCDYHNUDFWIVMV-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)ns1 ZINC001126371897 785441143 /nfs/dbraw/zinc/44/11/43/785441143.db2.gz CRIHPBNXLYPGCR-UHFFFAOYSA-N 1 0 325.394 -1.271 20 0 EAADRO Cn1nccc1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126397542 785466689 /nfs/dbraw/zinc/46/66/89/785466689.db2.gz AUDNSHCPWJYJDY-GFCCVEGCSA-N 1 0 337.380 -1.822 20 0 EAADRO Cn1nccc1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126397543 785466786 /nfs/dbraw/zinc/46/67/86/785466786.db2.gz AUDNSHCPWJYJDY-LBPRGKRZSA-N 1 0 337.380 -1.822 20 0 EAADRO Cn1nccc1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001126398068 785469827 /nfs/dbraw/zinc/46/98/27/785469827.db2.gz OGTSWEABHBWODB-GFCCVEGCSA-N 1 0 343.453 -1.050 20 0 EAADRO Cn1nccc1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001126398069 785469066 /nfs/dbraw/zinc/46/90/66/785469066.db2.gz OGTSWEABHBWODB-LBPRGKRZSA-N 1 0 343.453 -1.050 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cc1ccnn1C ZINC001126398335 785470306 /nfs/dbraw/zinc/47/03/06/785470306.db2.gz WNRVVLPCPQPYFI-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1ccnn1C ZINC001126398397 785471128 /nfs/dbraw/zinc/47/11/28/785471128.db2.gz ZTNBKYDYXUEMDD-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1ccnn1C)C(=O)N(C)C ZINC001126402768 785510986 /nfs/dbraw/zinc/51/09/86/785510986.db2.gz FPAUABMNDSPVNT-LLVKDONJSA-N 1 0 338.412 -1.739 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1ccnn1C)C(=O)N(C)C ZINC001126402769 785511459 /nfs/dbraw/zinc/51/14/59/785511459.db2.gz FPAUABMNDSPVNT-NSHDSACASA-N 1 0 338.412 -1.739 20 0 EAADRO Cn1nccc1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001126402954 785511938 /nfs/dbraw/zinc/51/19/38/785511938.db2.gz MQDLJYFEMVSAFX-UHFFFAOYSA-N 1 0 334.380 -1.734 20 0 EAADRO Cn1nccc1CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001126403194 785511847 /nfs/dbraw/zinc/51/18/47/785511847.db2.gz XESFHIVPLZOBKI-UHFFFAOYSA-N 1 0 336.396 -1.001 20 0 EAADRO O=C(Cc1cncnc1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001126406540 785525366 /nfs/dbraw/zinc/52/53/66/785525366.db2.gz CYNNHSHDSSFTQV-UHFFFAOYSA-N 1 0 327.410 -1.240 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cc2cncnc2)CC1 ZINC001126408152 785527462 /nfs/dbraw/zinc/52/74/62/785527462.db2.gz UFNNOBLDCYAAOG-UHFFFAOYSA-N 1 0 348.407 -1.551 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2cncnc2)C1 ZINC001126412996 785537888 /nfs/dbraw/zinc/53/78/88/785537888.db2.gz IPRHWUPUWGKJAT-CYBMUJFWSA-N 1 0 348.407 -1.551 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2cncnc2)C1 ZINC001126413000 785537961 /nfs/dbraw/zinc/53/79/61/785537961.db2.gz IPRHWUPUWGKJAT-ZDUSSCGKSA-N 1 0 348.407 -1.551 20 0 EAADRO O=C(Cc1cncnc1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126413705 785541561 /nfs/dbraw/zinc/54/15/61/785541561.db2.gz LWADJENXXAYYJC-GFCCVEGCSA-N 1 0 335.364 -1.765 20 0 EAADRO O=C(Cc1cncnc1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126413709 785540736 /nfs/dbraw/zinc/54/07/36/785540736.db2.gz LWADJENXXAYYJC-LBPRGKRZSA-N 1 0 335.364 -1.765 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cc1cncnc1)NCC(=O)N1CCCC1 ZINC001126414293 785542685 /nfs/dbraw/zinc/54/26/85/785542685.db2.gz QDQHDKSYJHEPKL-UHFFFAOYSA-N 1 0 348.407 -1.537 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cc2cncnc2)CC1 ZINC001126414792 785543633 /nfs/dbraw/zinc/54/36/33/785543633.db2.gz RMAAARVSGMBYSG-UHFFFAOYSA-N 1 0 348.407 -1.584 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1cncnc1)C(=O)N(C)C ZINC001126414905 785544257 /nfs/dbraw/zinc/54/42/57/785544257.db2.gz UVUBXWPZANGHQK-LLVKDONJSA-N 1 0 336.396 -1.682 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1cncnc1)C(=O)N(C)C ZINC001126414908 785544455 /nfs/dbraw/zinc/54/44/55/785544455.db2.gz UVUBXWPZANGHQK-NSHDSACASA-N 1 0 336.396 -1.682 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)Cc2cncnc2)cc(=O)n(C)c1=O ZINC001126415336 785543537 /nfs/dbraw/zinc/54/35/37/785543537.db2.gz ZRORXCWTFYARHW-UHFFFAOYSA-N 1 0 332.364 -1.678 20 0 EAADRO CCn1ccnc1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126425278 785559412 /nfs/dbraw/zinc/55/94/12/785559412.db2.gz MHBYDGCZQQPRRE-LLVKDONJSA-N 1 0 337.380 -1.268 20 0 EAADRO CCn1ccnc1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126425280 785559586 /nfs/dbraw/zinc/55/95/86/785559586.db2.gz MHBYDGCZQQPRRE-NSHDSACASA-N 1 0 337.380 -1.268 20 0 EAADRO CCn1ccnc1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126425444 785561497 /nfs/dbraw/zinc/56/14/97/785561497.db2.gz PTEAJNWWPLJVJZ-LLVKDONJSA-N 1 0 338.412 -1.185 20 0 EAADRO CCn1ccnc1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126425445 785560891 /nfs/dbraw/zinc/56/08/91/785560891.db2.gz PTEAJNWWPLJVJZ-NSHDSACASA-N 1 0 338.412 -1.185 20 0 EAADRO CCn1ccnc1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001126425978 785560641 /nfs/dbraw/zinc/56/06/41/785560641.db2.gz WHVVBMZQGPXKMK-UHFFFAOYSA-N 1 0 334.380 -1.180 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCCOCC1)N1CCNC(=O)C1 ZINC001126431445 785563539 /nfs/dbraw/zinc/56/35/39/785563539.db2.gz HGSDPJFFVFVIQQ-GFCCVEGCSA-N 1 0 326.397 -1.533 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCCOCC1)N1CCNC(=O)C1 ZINC001126431448 785563232 /nfs/dbraw/zinc/56/32/32/785563232.db2.gz HGSDPJFFVFVIQQ-LBPRGKRZSA-N 1 0 326.397 -1.533 20 0 EAADRO CNC(=O)Cc1noc(CNCCNC(=O)CCc2ncc[nH]2)n1 ZINC001126447670 785575058 /nfs/dbraw/zinc/57/50/58/785575058.db2.gz JXMZFWGFLKFPOR-UHFFFAOYSA-N 1 0 335.368 -1.080 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCc1ncc[nH]1)C(=O)N(C)C ZINC001126452547 785580613 /nfs/dbraw/zinc/58/06/13/785580613.db2.gz DGKXSJKCKDDKSY-LLVKDONJSA-N 1 0 338.412 -1.359 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCc1ncc[nH]1)C(=O)N(C)C ZINC001126452549 785579966 /nfs/dbraw/zinc/57/99/66/785579966.db2.gz DGKXSJKCKDDKSY-NSHDSACASA-N 1 0 338.412 -1.359 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1CCC(O)CC1)N1CCNC(=O)C1 ZINC001126453695 785580238 /nfs/dbraw/zinc/58/02/38/785580238.db2.gz WSKDYGOOTGNYCA-UHFFFAOYSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CCC(O)CC1 ZINC001126456292 785584155 /nfs/dbraw/zinc/58/41/55/785584155.db2.gz OKBXLEPEVUCDLB-BPCQOVAHSA-N 1 0 341.408 -1.247 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CCC(O)CC1 ZINC001126456293 785584145 /nfs/dbraw/zinc/58/41/45/785584145.db2.gz OKBXLEPEVUCDLB-WXRRBKDZSA-N 1 0 341.408 -1.247 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)CC(C)(C)O ZINC001126456367 785583794 /nfs/dbraw/zinc/58/37/94/785583794.db2.gz SEMFTLANQGWDJY-UHFFFAOYSA-N 1 0 330.429 -1.116 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)CC(C)(C)O)CC1 ZINC001126456516 785584438 /nfs/dbraw/zinc/58/44/38/785584438.db2.gz VYGNMKWDPSSCGP-UHFFFAOYSA-N 1 0 342.440 -1.020 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CC(C)(C)O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126462369 785589851 /nfs/dbraw/zinc/58/98/51/785589851.db2.gz QFJOCHKCIMQVRE-NEPJUHHUSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CC(C)(C)O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126462373 785589979 /nfs/dbraw/zinc/58/99/79/785589979.db2.gz QFJOCHKCIMQVRE-NWDGAFQWSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CC(C)(C)O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126462375 785589263 /nfs/dbraw/zinc/58/92/63/785589263.db2.gz QFJOCHKCIMQVRE-RYUDHWBXSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CC(C)(C)O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126462377 785589564 /nfs/dbraw/zinc/58/95/64/785589564.db2.gz QFJOCHKCIMQVRE-VXGBXAGGSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CC(C)(C)O)C(=O)N1CCC(C(N)=O)CC1 ZINC001126466911 785594416 /nfs/dbraw/zinc/59/44/16/785594416.db2.gz DSAKRJDREYPMKB-LLVKDONJSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CC(C)(C)O)C(=O)N1CCC(C(N)=O)CC1 ZINC001126466912 785594148 /nfs/dbraw/zinc/59/41/48/785594148.db2.gz DSAKRJDREYPMKB-NSHDSACASA-N 1 0 342.440 -1.034 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CC(C)(C)O ZINC001126467501 785594803 /nfs/dbraw/zinc/59/48/03/785594803.db2.gz IBAZCFMHPRFVJA-JTQLQIEISA-N 1 0 332.401 -1.286 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CC(C)(C)O ZINC001126467502 785594282 /nfs/dbraw/zinc/59/42/82/785594282.db2.gz IBAZCFMHPRFVJA-SNVBAGLBSA-N 1 0 332.401 -1.286 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CC(C)(C)O ZINC001126467522 785595595 /nfs/dbraw/zinc/59/55/95/785595595.db2.gz IXQDNOMDAWGYAS-UHFFFAOYSA-N 1 0 330.429 -1.162 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCNC(=O)CC(C)(C)O)CC1 ZINC001126467534 785595263 /nfs/dbraw/zinc/59/52/63/785595263.db2.gz JGILZNYMRBFWJC-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCNC(=O)CC(C)(C)O)CC1 ZINC001126467535 785595776 /nfs/dbraw/zinc/59/57/76/785595776.db2.gz JGILZNYMRBFWJC-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)CC(C)(C)O)cn1 ZINC001126467620 785595800 /nfs/dbraw/zinc/59/58/00/785595800.db2.gz KZPODLLOMAUSOL-UHFFFAOYSA-N 1 0 347.441 -1.435 20 0 EAADRO CC(C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126467900 785595818 /nfs/dbraw/zinc/59/58/18/785595818.db2.gz NDEYOOJPFBCFES-LLVKDONJSA-N 1 0 328.413 -1.423 20 0 EAADRO CC(C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126467901 785595761 /nfs/dbraw/zinc/59/57/61/785595761.db2.gz NDEYOOJPFBCFES-NSHDSACASA-N 1 0 328.413 -1.423 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)CC(C)(C)O)CC1 ZINC001126468179 785596784 /nfs/dbraw/zinc/59/67/84/785596784.db2.gz QKYPQUQJQWQKHR-UHFFFAOYSA-N 1 0 328.413 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CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC(C)(C)O)C1 ZINC001126477819 785602978 /nfs/dbraw/zinc/60/29/78/785602978.db2.gz WIHAIERFJHIVSS-CYBMUJFWSA-N 1 0 342.440 -1.020 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC(C)(C)O)C1 ZINC001126477821 785602781 /nfs/dbraw/zinc/60/27/81/785602781.db2.gz WIHAIERFJHIVSS-ZDUSSCGKSA-N 1 0 342.440 -1.020 20 0 EAADRO Cc1ccnc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001126479876 785607569 /nfs/dbraw/zinc/60/75/69/785607569.db2.gz BDUOYPDRLVZXLL-LLVKDONJSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1ccnc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001126479877 785607835 /nfs/dbraw/zinc/60/78/35/785607835.db2.gz BDUOYPDRLVZXLL-NSHDSACASA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1ccnc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC001126479921 785606921 /nfs/dbraw/zinc/60/69/21/785606921.db2.gz CHBUPHYVLCUPJQ-GFCCVEGCSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1ccnc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC001126479923 785607705 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Cc1ccnc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC001126487238 785623887 /nfs/dbraw/zinc/62/38/87/785623887.db2.gz VUZIYYWIQMPRSI-UHFFFAOYSA-N 1 0 332.364 -1.298 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001126493126 785623412 /nfs/dbraw/zinc/62/34/12/785623412.db2.gz AEKXWJRLVOCZOZ-BXUZGUMPSA-N 1 0 327.381 -1.373 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001126493127 785624321 /nfs/dbraw/zinc/62/43/21/785624321.db2.gz AEKXWJRLVOCZOZ-FZMZJTMJSA-N 1 0 327.381 -1.373 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001126493128 785624255 /nfs/dbraw/zinc/62/42/55/785624255.db2.gz AEKXWJRLVOCZOZ-RISCZKNCSA-N 1 0 327.381 -1.373 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001126493129 785624326 /nfs/dbraw/zinc/62/43/26/785624326.db2.gz AEKXWJRLVOCZOZ-SMDDNHRTSA-N 1 0 327.381 -1.373 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C1CC1 ZINC001126495469 785625349 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Cn1nncc1C(=O)NCC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC001126528303 785638596 /nfs/dbraw/zinc/63/85/96/785638596.db2.gz IVGANGBNPKBNHO-UHFFFAOYSA-N 1 0 349.395 -1.001 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001126528542 785638366 /nfs/dbraw/zinc/63/83/66/785638366.db2.gz KEDOMHYICDPKSW-UHFFFAOYSA-N 1 0 337.384 -2.142 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC001126528604 785638543 /nfs/dbraw/zinc/63/85/43/785638543.db2.gz MXCLDVJHCWRDBH-UHFFFAOYSA-N 1 0 349.351 -1.247 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnnn3C)C2=O)cn1 ZINC001126528985 785638235 /nfs/dbraw/zinc/63/82/35/785638235.db2.gz QZYGFVOVKHSTNO-LLVKDONJSA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cnnn3C)C2=O)cn1 ZINC001126528986 785638450 /nfs/dbraw/zinc/63/84/50/785638450.db2.gz QZYGFVOVKHSTNO-NSHDSACASA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001126529486 785638420 /nfs/dbraw/zinc/63/84/20/785638420.db2.gz YRSMEQPFTVTPGG-UHFFFAOYSA-N 1 0 325.373 -1.241 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001126529526 785638137 /nfs/dbraw/zinc/63/81/37/785638137.db2.gz ZFTXUNQQKUNRFK-JTQLQIEISA-N 1 0 330.414 -1.584 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001126529528 785638014 /nfs/dbraw/zinc/63/80/14/785638014.db2.gz ZFTXUNQQKUNRFK-SNVBAGLBSA-N 1 0 330.414 -1.584 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnnn3C)C2=O)n(C)n1 ZINC001126540669 785656951 /nfs/dbraw/zinc/65/69/51/785656951.db2.gz BRQMSXQQFCNYFW-LLVKDONJSA-N 1 0 346.395 -1.018 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cnnn3C)C2=O)n(C)n1 ZINC001126540670 785657336 /nfs/dbraw/zinc/65/73/36/785657336.db2.gz BRQMSXQQFCNYFW-NSHDSACASA-N 1 0 346.395 -1.018 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnnn1C ZINC001126540701 785657025 /nfs/dbraw/zinc/65/70/25/785657025.db2.gz DMARWIYUEUQLSH-SECBINFHSA-N 1 0 325.373 -1.243 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnnn1C ZINC001126540702 785657208 /nfs/dbraw/zinc/65/72/08/785657208.db2.gz DMARWIYUEUQLSH-VIFPVBQESA-N 1 0 325.373 -1.243 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001126541024 785656932 /nfs/dbraw/zinc/65/69/32/785656932.db2.gz ODOMLHJPWUFKRU-SECBINFHSA-N 1 0 325.373 -2.273 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001126541125 785657347 /nfs/dbraw/zinc/65/73/47/785657347.db2.gz ODOMLHJPWUFKRU-VIFPVBQESA-N 1 0 325.373 -2.273 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1cnnn1C ZINC001126541154 785656946 /nfs/dbraw/zinc/65/69/46/785656946.db2.gz PFNGZRFJASEDNE-UHFFFAOYSA-N 1 0 339.400 -1.881 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001126541205 785656984 /nfs/dbraw/zinc/65/69/84/785656984.db2.gz QXKSHSPZHZSNIR-LLVKDONJSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001126541206 785657188 /nfs/dbraw/zinc/65/71/88/785657188.db2.gz QXKSHSPZHZSNIR-NSHDSACASA-N 1 0 327.385 -1.309 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cnnn2C)CC1 ZINC001126541220 785657010 /nfs/dbraw/zinc/65/70/10/785657010.db2.gz RLQNMKJVJZNGBE-UHFFFAOYSA-N 1 0 337.384 -2.175 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001126541245 785656975 /nfs/dbraw/zinc/65/69/75/785656975.db2.gz SKWRQQKXMBFLGE-NEPJUHHUSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001126541246 785657051 /nfs/dbraw/zinc/65/70/51/785657051.db2.gz SKWRQQKXMBFLGE-NWDGAFQWSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001126541247 785657234 /nfs/dbraw/zinc/65/72/34/785657234.db2.gz SKWRQQKXMBFLGE-RYUDHWBXSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001126541248 785656919 /nfs/dbraw/zinc/65/69/19/785656919.db2.gz SKWRQQKXMBFLGE-VXGBXAGGSA-N 1 0 327.385 -1.309 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnnn1C ZINC001126541449 785656963 /nfs/dbraw/zinc/65/69/63/785656963.db2.gz XIVHVVRBTMLJPK-UHFFFAOYSA-N 1 0 325.373 -1.240 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnnn1C ZINC001126541475 785657218 /nfs/dbraw/zinc/65/72/18/785657218.db2.gz YVWKTCGAXOUUBF-UHFFFAOYSA-N 1 0 348.429 -1.910 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126541506 785656901 /nfs/dbraw/zinc/65/69/01/785656901.db2.gz ZTGSTIHVXCQKPM-JTQLQIEISA-N 1 0 337.384 -2.142 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126541507 785656978 /nfs/dbraw/zinc/65/69/78/785656978.db2.gz ZTGSTIHVXCQKPM-SNVBAGLBSA-N 1 0 337.384 -2.142 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1)NC(=O)NC1CCCC1 ZINC001126547883 785660993 /nfs/dbraw/zinc/66/09/93/785660993.db2.gz BTAZUUWJSZOHRV-JTQLQIEISA-N 1 0 341.368 -1.431 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COC(=O)N1)NC(=O)NC1CCCC1 ZINC001126547884 785661191 /nfs/dbraw/zinc/66/11/91/785661191.db2.gz BTAZUUWJSZOHRV-SNVBAGLBSA-N 1 0 341.368 -1.431 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001126547910 785662343 /nfs/dbraw/zinc/66/23/43/785662343.db2.gz CKPWSGRPDKRCHM-UHFFFAOYSA-N 1 0 337.384 -1.145 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnnn1C ZINC001126548013 785662873 /nfs/dbraw/zinc/66/28/73/785662873.db2.gz DGEJWJSACHDZBS-SECBINFHSA-N 1 0 341.372 -2.005 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnnn1C ZINC001126548017 785662543 /nfs/dbraw/zinc/66/25/43/785662543.db2.gz DGEJWJSACHDZBS-VIFPVBQESA-N 1 0 341.372 -2.005 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COC(=O)N1)N1CCOC[C@H]1C1CC1 ZINC001126548353 785662783 /nfs/dbraw/zinc/66/27/83/785662783.db2.gz JIDILWXRQJDTKC-NEPJUHHUSA-N 1 0 340.380 -1.562 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1)N1CCOC[C@@H]1C1CC1 ZINC001126548354 785662354 /nfs/dbraw/zinc/66/23/54/785662354.db2.gz JIDILWXRQJDTKC-NWDGAFQWSA-N 1 0 340.380 -1.562 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1)N1CCOC[C@H]1C1CC1 ZINC001126548355 785662217 /nfs/dbraw/zinc/66/22/17/785662217.db2.gz JIDILWXRQJDTKC-RYUDHWBXSA-N 1 0 340.380 -1.562 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COC(=O)N1)N1CCOC[C@@H]1C1CC1 ZINC001126548356 785662791 /nfs/dbraw/zinc/66/27/91/785662791.db2.gz JIDILWXRQJDTKC-VXGBXAGGSA-N 1 0 340.380 -1.562 20 0 EAADRO NC(=O)c1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126548388 785662864 /nfs/dbraw/zinc/66/28/64/785662864.db2.gz KGHIAVOSDOGHBJ-LLVKDONJSA-N 1 0 349.347 -1.462 20 0 EAADRO NC(=O)c1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548389 785662183 /nfs/dbraw/zinc/66/21/83/785662183.db2.gz KGHIAVOSDOGHBJ-NSHDSACASA-N 1 0 349.347 -1.462 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126548420 785662647 /nfs/dbraw/zinc/66/26/47/785662647.db2.gz KXGLYPGPGKZECQ-SECBINFHSA-N 1 0 343.384 -2.169 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548421 785662947 /nfs/dbraw/zinc/66/29/47/785662947.db2.gz KXGLYPGPGKZECQ-VIFPVBQESA-N 1 0 343.384 -2.169 20 0 EAADRO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)[C@H]1COC(=O)N1 ZINC001126548509 785662901 /nfs/dbraw/zinc/66/29/01/785662901.db2.gz MTGMHSOAEWXQMF-SSDOTTSWSA-N 1 0 326.275 -1.131 20 0 EAADRO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1COC(=O)N1 ZINC001126548510 785662603 /nfs/dbraw/zinc/66/26/03/785662603.db2.gz MTGMHSOAEWXQMF-ZETCQYMHSA-N 1 0 326.275 -1.131 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001126548729 785662226 /nfs/dbraw/zinc/66/22/26/785662226.db2.gz RWQDXLXKJBBTAD-BDAKNGLRSA-N 1 0 343.384 -1.187 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001126548732 785662236 /nfs/dbraw/zinc/66/22/36/785662236.db2.gz RWQDXLXKJBBTAD-DTWKUNHWSA-N 1 0 343.384 -1.187 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001126548733 785662246 /nfs/dbraw/zinc/66/22/46/785662246.db2.gz RWQDXLXKJBBTAD-IUCAKERBSA-N 1 0 343.384 -1.187 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001126548734 785662328 /nfs/dbraw/zinc/66/23/28/785662328.db2.gz RWQDXLXKJBBTAD-RKDXNWHRSA-N 1 0 343.384 -1.187 20 0 EAADRO Cn1nncc1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001126548811 785662062 /nfs/dbraw/zinc/66/20/62/785662062.db2.gz SWYRMJWVGRRAQO-UHFFFAOYSA-N 1 0 337.384 -2.127 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)s1 ZINC001126548903 785662764 /nfs/dbraw/zinc/66/27/64/785662764.db2.gz VKPIKYIGOWROFN-SSDOTTSWSA-N 1 0 328.354 -1.401 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001126548904 785662379 /nfs/dbraw/zinc/66/23/79/785662379.db2.gz VKPIKYIGOWROFN-ZETCQYMHSA-N 1 0 328.354 -1.401 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H]1COC(=O)N1 ZINC001126553026 785663551 /nfs/dbraw/zinc/66/35/51/785663551.db2.gz HNMDGKVAMPXCHZ-HTQZYQBOSA-N 1 0 329.275 -1.260 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@H]1COC(=O)N1 ZINC001126553027 785664004 /nfs/dbraw/zinc/66/40/04/785664004.db2.gz HNMDGKVAMPXCHZ-JGVFFNPUSA-N 1 0 329.275 -1.260 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1COC(=O)N1 ZINC001126553028 785663784 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EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001126553760 785663929 /nfs/dbraw/zinc/66/39/29/785663929.db2.gz LHNRVUFVWOKQAW-VHSXEESVSA-N 1 0 334.398 -1.918 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001126553762 785663749 /nfs/dbraw/zinc/66/37/49/785663749.db2.gz LHNRVUFVWOKQAW-ZJUUUORDSA-N 1 0 334.398 -1.918 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@H]1COC(=O)N1 ZINC001126553864 785663999 /nfs/dbraw/zinc/66/39/99/785663999.db2.gz MGHSMJRGZPJJNP-CMPLNLGQSA-N 1 0 331.369 -1.643 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1COC(=O)N1 ZINC001126553867 785664071 /nfs/dbraw/zinc/66/40/71/785664071.db2.gz MGHSMJRGZPJJNP-JQWIXIFHSA-N 1 0 331.369 -1.643 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1COC(=O)N1 ZINC001126553869 785663994 /nfs/dbraw/zinc/66/39/94/785663994.db2.gz MGHSMJRGZPJJNP-PWSUYJOCSA-N 1 0 331.369 -1.643 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1COC(=O)N1 ZINC001126553870 785663909 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COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126554480 785663470 /nfs/dbraw/zinc/66/34/70/785663470.db2.gz OWVOAWYXCVFAAQ-SNVBAGLBSA-N 1 0 337.398 -1.748 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3COC(=O)N3)C2=O)n1 ZINC001126554511 785663627 /nfs/dbraw/zinc/66/36/27/785663627.db2.gz PSFHYTZRIITHAW-NXEZZACHSA-N 1 0 336.352 -1.660 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3COC(=O)N3)C2=O)n1 ZINC001126554512 785663832 /nfs/dbraw/zinc/66/38/32/785663832.db2.gz PSFHYTZRIITHAW-UWVGGRQHSA-N 1 0 336.352 -1.660 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3COC(=O)N3)C2=O)n1 ZINC001126554513 785664031 /nfs/dbraw/zinc/66/40/31/785664031.db2.gz PSFHYTZRIITHAW-VHSXEESVSA-N 1 0 336.352 -1.660 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3COC(=O)N3)C2=O)n1 ZINC001126554514 785663327 /nfs/dbraw/zinc/66/33/27/785663327.db2.gz PSFHYTZRIITHAW-ZJUUUORDSA-N 1 0 336.352 -1.660 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1COC(=O)N1 ZINC001126554519 785664169 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CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126554722 785664914 /nfs/dbraw/zinc/66/49/14/785664914.db2.gz RHCJONFVEHXFQS-SECBINFHSA-N 1 0 329.357 -1.718 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126554725 785664851 /nfs/dbraw/zinc/66/48/51/785664851.db2.gz RHCJONFVEHXFQS-VIFPVBQESA-N 1 0 329.357 -1.718 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3COC(=O)N3)C2=O)cn1 ZINC001126554987 785665466 /nfs/dbraw/zinc/66/54/66/785665466.db2.gz UNLBUXLTVDEUBS-GHMZBOCLSA-N 1 0 336.352 -1.660 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3COC(=O)N3)C2=O)cn1 ZINC001126554988 785664888 /nfs/dbraw/zinc/66/48/88/785664888.db2.gz UNLBUXLTVDEUBS-MNOVXSKESA-N 1 0 336.352 -1.660 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3COC(=O)N3)C2=O)cn1 ZINC001126554989 785665373 /nfs/dbraw/zinc/66/53/73/785665373.db2.gz UNLBUXLTVDEUBS-QWRGUYRKSA-N 1 0 336.352 -1.660 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3COC(=O)N3)C2=O)cn1 ZINC001126554990 785665537 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O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1COC(=O)N1 ZINC001126555455 785665097 /nfs/dbraw/zinc/66/50/97/785665097.db2.gz YGAOUFAJWYFWRM-JGVFFNPUSA-N 1 0 338.286 -1.036 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1COC(=O)N1 ZINC001126555457 785664897 /nfs/dbraw/zinc/66/48/97/785664897.db2.gz YGAOUFAJWYFWRM-SFYZADRCSA-N 1 0 338.286 -1.036 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1COC(=O)N1 ZINC001126555460 785664938 /nfs/dbraw/zinc/66/49/38/785664938.db2.gz YGAOUFAJWYFWRM-YUMQZZPRSA-N 1 0 338.286 -1.036 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001126559054 785666321 /nfs/dbraw/zinc/66/63/21/785666321.db2.gz BKZCUEDWXLPDNT-BDAKNGLRSA-N 1 0 329.357 -2.607 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001126559061 785666194 /nfs/dbraw/zinc/66/61/94/785666194.db2.gz BKZCUEDWXLPDNT-DTWKUNHWSA-N 1 0 329.357 -2.607 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001126559063 785666027 /nfs/dbraw/zinc/66/60/27/785666027.db2.gz BKZCUEDWXLPDNT-IUCAKERBSA-N 1 0 329.357 -2.607 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001126559065 785666079 /nfs/dbraw/zinc/66/60/79/785666079.db2.gz BKZCUEDWXLPDNT-RKDXNWHRSA-N 1 0 329.357 -2.607 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126559095 785666169 /nfs/dbraw/zinc/66/61/69/785666169.db2.gz BTDPJOJRQNMHQC-NXEZZACHSA-N 1 0 343.384 -1.329 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559100 785666055 /nfs/dbraw/zinc/66/60/55/785666055.db2.gz BTDPJOJRQNMHQC-UWVGGRQHSA-N 1 0 343.384 -1.329 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126559101 785666109 /nfs/dbraw/zinc/66/61/09/785666109.db2.gz BTDPJOJRQNMHQC-VHSXEESVSA-N 1 0 343.384 -1.329 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559102 785666160 /nfs/dbraw/zinc/66/61/60/785666160.db2.gz BTDPJOJRQNMHQC-ZJUUUORDSA-N 1 0 343.384 -1.329 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126559252 785666066 /nfs/dbraw/zinc/66/60/66/785666066.db2.gz CLZWNWWSDCMXCE-GHMZBOCLSA-N 1 0 330.385 -1.268 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559254 785666400 /nfs/dbraw/zinc/66/64/00/785666400.db2.gz CLZWNWWSDCMXCE-MNOVXSKESA-N 1 0 330.385 -1.268 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559255 785666135 /nfs/dbraw/zinc/66/61/35/785666135.db2.gz CLZWNWWSDCMXCE-QWRGUYRKSA-N 1 0 330.385 -1.268 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126559258 785666301 /nfs/dbraw/zinc/66/63/01/785666301.db2.gz CLZWNWWSDCMXCE-WDEREUQCSA-N 1 0 330.385 -1.268 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559653 785666062 /nfs/dbraw/zinc/66/60/62/785666062.db2.gz FGLSNJBRPGZDPD-JTQLQIEISA-N 1 0 338.368 -1.210 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126559655 785667606 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SRXNSXNNPNTEQO-UHFFFAOYSA-N 1 0 337.384 -2.142 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126654797 785764655 /nfs/dbraw/zinc/76/46/55/785764655.db2.gz UZGQOHZCAJOBMU-UHFFFAOYSA-N 1 0 334.384 -1.473 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)nn1 ZINC001126654844 785764937 /nfs/dbraw/zinc/76/49/37/785764937.db2.gz WATQXEQQRQBSSM-UHFFFAOYSA-N 1 0 325.373 -1.241 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)nn1 ZINC001126655056 785764309 /nfs/dbraw/zinc/76/43/09/785764309.db2.gz YGCONXDUQWAGPP-CYBMUJFWSA-N 1 0 336.396 -1.228 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)nn1 ZINC001126655057 785765418 /nfs/dbraw/zinc/76/54/18/785765418.db2.gz YGCONXDUQWAGPP-ZDUSSCGKSA-N 1 0 336.396 -1.228 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126657235 785765551 /nfs/dbraw/zinc/76/55/51/785765551.db2.gz APKDBCFZHDBLMO-MRVPVSSYSA-N 1 0 326.357 -1.139 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126657241 785765481 /nfs/dbraw/zinc/76/54/81/785765481.db2.gz APKDBCFZHDBLMO-QMMMGPOBSA-N 1 0 326.357 -1.139 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)nn1 ZINC001126657302 785765107 /nfs/dbraw/zinc/76/51/07/785765107.db2.gz BKGKGRWJBVHPDR-UHFFFAOYSA-N 1 0 337.384 -2.127 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126657561 785764590 /nfs/dbraw/zinc/76/45/90/785764590.db2.gz GNJVFUYLAPDMHZ-UHFFFAOYSA-N 1 0 348.429 -1.910 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001126657641 785764765 /nfs/dbraw/zinc/76/47/65/785764765.db2.gz HPHKDVKHNHKLQB-SECBINFHSA-N 1 0 325.373 -2.273 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001126657643 785765569 /nfs/dbraw/zinc/76/55/69/785765569.db2.gz HPHKDVKHNHKLQB-VIFPVBQESA-N 1 0 325.373 -2.273 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)nn1 ZINC001126657819 785765315 /nfs/dbraw/zinc/76/53/15/785765315.db2.gz IPKVDVZYORPKIR-LLVKDONJSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)nn1 ZINC001126657820 785765224 /nfs/dbraw/zinc/76/52/24/785765224.db2.gz IPKVDVZYORPKIR-NSHDSACASA-N 1 0 327.385 -1.309 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126657851 785765325 /nfs/dbraw/zinc/76/53/25/785765325.db2.gz JRZTVKKQVRUGGH-UHFFFAOYSA-N 1 0 325.373 -1.240 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)nn1 ZINC001126657908 785765496 /nfs/dbraw/zinc/76/54/96/785765496.db2.gz LTGOGVYSUVSLQL-UHFFFAOYSA-N 1 0 349.395 -1.001 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cn(C)nn2)CC1 ZINC001126658084 785765514 /nfs/dbraw/zinc/76/55/14/785765514.db2.gz MXUMMWLLGFBXMR-UHFFFAOYSA-N 1 0 337.384 -2.175 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cn(C)nn3)C2=O)cn1 ZINC001126658141 785765179 /nfs/dbraw/zinc/76/51/79/785765179.db2.gz NYLKACQAQJYKDY-LLVKDONJSA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cn(C)nn3)C2=O)cn1 ZINC001126658144 785765088 /nfs/dbraw/zinc/76/50/88/785765088.db2.gz NYLKACQAQJYKDY-NSHDSACASA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)nn1 ZINC001126658431 785764996 /nfs/dbraw/zinc/76/49/96/785764996.db2.gz QVRJPMHKCCUECE-UHFFFAOYSA-N 1 0 337.384 -1.145 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126658432 785765460 /nfs/dbraw/zinc/76/54/60/785765460.db2.gz QWMOOCMLDGHHCJ-SECBINFHSA-N 1 0 341.372 -2.005 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126658433 785764789 /nfs/dbraw/zinc/76/47/89/785764789.db2.gz QWMOOCMLDGHHCJ-VIFPVBQESA-N 1 0 341.372 -2.005 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cn(C)nn3)C2=O)n(C)n1 ZINC001126658771 785765209 /nfs/dbraw/zinc/76/52/09/785765209.db2.gz UYYMBIWDRGUFAC-LLVKDONJSA-N 1 0 346.395 -1.018 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cn(C)nn3)C2=O)n(C)n1 ZINC001126658775 785765062 /nfs/dbraw/zinc/76/50/62/785765062.db2.gz UYYMBIWDRGUFAC-NSHDSACASA-N 1 0 346.395 -1.018 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126658778 785765164 /nfs/dbraw/zinc/76/51/64/785765164.db2.gz VAYTXYDGGNCBLJ-UHFFFAOYSA-N 1 0 339.400 -1.881 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)nn1 ZINC001126658916 785764700 /nfs/dbraw/zinc/76/47/00/785764700.db2.gz YFGODKWIMWMXRR-NEPJUHHUSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)nn1 ZINC001126658917 785764488 /nfs/dbraw/zinc/76/44/88/785764488.db2.gz YFGODKWIMWMXRR-NWDGAFQWSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)nn1 ZINC001126658920 785764859 /nfs/dbraw/zinc/76/48/59/785764859.db2.gz YFGODKWIMWMXRR-RYUDHWBXSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)nn1 ZINC001126658923 785765594 /nfs/dbraw/zinc/76/55/94/785765594.db2.gz YFGODKWIMWMXRR-VXGBXAGGSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3cn(C)nn3)C2=O)n1 ZINC001126659035 785764685 /nfs/dbraw/zinc/76/46/85/785764685.db2.gz YZUSOVHLNOGLCX-JTQLQIEISA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3cn(C)nn3)C2=O)n1 ZINC001126659036 785765039 /nfs/dbraw/zinc/76/50/39/785765039.db2.gz YZUSOVHLNOGLCX-SNVBAGLBSA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)nn1 ZINC001126659040 785764346 /nfs/dbraw/zinc/76/43/46/785764346.db2.gz ZDJQGFPKBKVTIV-JTQLQIEISA-N 1 0 337.384 -2.142 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)nn1 ZINC001126659041 785765406 /nfs/dbraw/zinc/76/54/06/785765406.db2.gz ZDJQGFPKBKVTIV-SNVBAGLBSA-N 1 0 337.384 -2.142 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126659052 785765472 /nfs/dbraw/zinc/76/54/72/785765472.db2.gz ZGJKUXFEFMWQNJ-SECBINFHSA-N 1 0 325.373 -1.243 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126659053 785765023 /nfs/dbraw/zinc/76/50/23/785765023.db2.gz ZGJKUXFEFMWQNJ-VIFPVBQESA-N 1 0 325.373 -1.243 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126663253 785767391 /nfs/dbraw/zinc/76/73/91/785767391.db2.gz AVDIAVHGSCKDBM-UHFFFAOYSA-N 1 0 326.357 -1.138 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)o1 ZINC001126663357 785766640 /nfs/dbraw/zinc/76/66/40/785766640.db2.gz DOBOXZYQTATOOJ-LLVKDONJSA-N 1 0 325.369 -1.078 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)o1 ZINC001126663358 785766706 /nfs/dbraw/zinc/76/67/06/785766706.db2.gz DOBOXZYQTATOOJ-NSHDSACASA-N 1 0 325.369 -1.078 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)o1 ZINC001126664067 785766266 /nfs/dbraw/zinc/76/62/66/785766266.db2.gz RWLDFQXYZLZJQN-UHFFFAOYSA-N 1 0 325.369 -1.078 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126666741 785767292 /nfs/dbraw/zinc/76/72/92/785767292.db2.gz CSUXEKHMANZAGZ-UHFFFAOYSA-N 1 0 333.414 -1.044 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)o1 ZINC001126667037 785767028 /nfs/dbraw/zinc/76/70/28/785767028.db2.gz HGYBDBGNPWKZEK-NSHDSACASA-N 1 0 325.369 -1.390 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)o1 ZINC001126667672 785766692 /nfs/dbraw/zinc/76/66/92/785766692.db2.gz OLAGTQNUXWMBAC-UHFFFAOYSA-N 1 0 331.398 -1.338 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC001126668139 785767317 /nfs/dbraw/zinc/76/73/17/785767317.db2.gz XAHCOFGECXFLGO-LLVKDONJSA-N 1 0 345.425 -1.092 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)o1 ZINC001126668140 785766777 /nfs/dbraw/zinc/76/67/77/785766777.db2.gz XAHCOFGECXFLGO-NSHDSACASA-N 1 0 345.425 -1.092 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)o1 ZINC001126671779 785769142 /nfs/dbraw/zinc/76/91/42/785769142.db2.gz ARDOJSDOMBHGJK-JTQLQIEISA-N 1 0 325.369 -1.126 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)o1 ZINC001126671780 785768886 /nfs/dbraw/zinc/76/88/86/785768886.db2.gz ARDOJSDOMBHGJK-SNVBAGLBSA-N 1 0 325.369 -1.126 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)o1 ZINC001126671823 785768453 /nfs/dbraw/zinc/76/84/53/785768453.db2.gz COXAADPNUJKABD-SECBINFHSA-N 1 0 340.384 -1.781 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)o1 ZINC001126671824 785768028 /nfs/dbraw/zinc/76/80/28/785768028.db2.gz COXAADPNUJKABD-VIFPVBQESA-N 1 0 340.384 -1.781 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)o1 ZINC001126671985 785768116 /nfs/dbraw/zinc/76/81/16/785768116.db2.gz FYGXEWRIGFURDR-UHFFFAOYSA-N 1 0 336.352 -1.776 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)o1 ZINC001126672035 785768359 /nfs/dbraw/zinc/76/83/59/785768359.db2.gz IIIDMKLZPCMTHN-LLVKDONJSA-N 1 0 325.369 -1.221 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)o1 ZINC001126672036 785768547 /nfs/dbraw/zinc/76/85/47/785768547.db2.gz IIIDMKLZPCMTHN-NSHDSACASA-N 1 0 325.369 -1.221 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)o1 ZINC001126672421 785768649 /nfs/dbraw/zinc/76/86/49/785768649.db2.gz PPFTYMVZSRJSLW-JTQLQIEISA-N 1 0 339.352 -1.864 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)o1 ZINC001126672422 785768976 /nfs/dbraw/zinc/76/89/76/785768976.db2.gz PPFTYMVZSRJSLW-SNVBAGLBSA-N 1 0 339.352 -1.864 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)o1 ZINC001126672523 785768219 /nfs/dbraw/zinc/76/82/19/785768219.db2.gz RCFCGSYKGDMBOD-UHFFFAOYSA-N 1 0 333.414 -1.092 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)o1 ZINC001126672732 785769130 /nfs/dbraw/zinc/76/91/30/785769130.db2.gz WJFMCIUYTPBJSY-UHFFFAOYSA-N 1 0 338.368 -1.043 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)n1 ZINC001126677689 785768877 /nfs/dbraw/zinc/76/88/77/785768877.db2.gz BNMFJDOXWZRVKE-GFCCVEGCSA-N 1 0 336.396 -1.228 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)n1 ZINC001126677690 785768254 /nfs/dbraw/zinc/76/82/54/785768254.db2.gz BNMFJDOXWZRVKE-LBPRGKRZSA-N 1 0 336.396 -1.228 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)n1 ZINC001126677713 785768834 /nfs/dbraw/zinc/76/88/34/785768834.db2.gz CORDXJHCGIETSL-UHFFFAOYSA-N 1 0 337.384 -1.097 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C)n1 ZINC001126678278 785767990 /nfs/dbraw/zinc/76/79/90/785767990.db2.gz RFPZHNIEICVFAG-UHFFFAOYSA-N 1 0 339.400 -1.835 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)Nc2ccccc2C(N)=O)n1 ZINC001126678403 785768235 /nfs/dbraw/zinc/76/82/35/785768235.db2.gz ZEAJYFPSOSSUBZ-UHFFFAOYSA-N 1 0 345.363 -1.128 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3ncn(C)n3)C2=O)n1 ZINC001126684031 785768134 /nfs/dbraw/zinc/76/81/34/785768134.db2.gz DULFBFLCPUYUJG-JTQLQIEISA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3ncn(C)n3)C2=O)n1 ZINC001126684033 785768181 /nfs/dbraw/zinc/76/81/81/785768181.db2.gz DULFBFLCPUYUJG-SNVBAGLBSA-N 1 0 332.368 -1.327 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1ncn(C)n1 ZINC001126684159 785768439 /nfs/dbraw/zinc/76/84/39/785768439.db2.gz GXYPDFTYRIIUEV-UHFFFAOYSA-N 1 0 334.384 -1.473 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC001126684356 785768960 /nfs/dbraw/zinc/76/89/60/785768960.db2.gz LBFSSHBHINASKH-LLVKDONJSA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC001126684357 785768724 /nfs/dbraw/zinc/76/87/24/785768724.db2.gz LBFSSHBHINASKH-NSHDSACASA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001126684388 785768703 /nfs/dbraw/zinc/76/87/03/785768703.db2.gz MBRLICFLQNEISO-JTQLQIEISA-N 1 0 330.414 -1.584 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001126684389 785767778 /nfs/dbraw/zinc/76/77/78/785767778.db2.gz MBRLICFLQNEISO-SNVBAGLBSA-N 1 0 330.414 -1.584 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1ncn(C)n1 ZINC001126684758 785768930 /nfs/dbraw/zinc/76/89/30/785768930.db2.gz SWBVATVLDXESOJ-UHFFFAOYSA-N 1 0 333.414 -1.414 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)n1 ZINC001126684759 785769056 /nfs/dbraw/zinc/76/90/56/785769056.db2.gz SXPBPHAYNXMXPV-UHFFFAOYSA-N 1 0 337.384 -2.142 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC001126684781 785768415 /nfs/dbraw/zinc/76/84/15/785768415.db2.gz UVTCTBGQGQKAMI-UHFFFAOYSA-N 1 0 349.395 -1.001 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ncn(C)n1 ZINC001126684814 785768393 /nfs/dbraw/zinc/76/83/93/785768393.db2.gz WFVUBNHLHZFBGH-UHFFFAOYSA-N 1 0 348.429 -1.910 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)n1 ZINC001126684824 785768819 /nfs/dbraw/zinc/76/88/19/785768819.db2.gz WRCWUODNMZSRFB-UHFFFAOYSA-N 1 0 325.373 -1.241 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)n1 ZINC001126684846 785768287 /nfs/dbraw/zinc/76/82/87/785768287.db2.gz XHKJXPBEAXTCGT-LLVKDONJSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)n1 ZINC001126684847 785768569 /nfs/dbraw/zinc/76/85/69/785768569.db2.gz XHKJXPBEAXTCGT-NSHDSACASA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC(=O)NCc2ccco2)n1 ZINC001126684855 785768208 /nfs/dbraw/zinc/76/82/08/785768208.db2.gz XRDMHEXUJDIFMK-UHFFFAOYSA-N 1 0 349.351 -1.247 20 0 EAADRO 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CNC(=O)NCCC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001126698587 785771010 /nfs/dbraw/zinc/77/10/10/785771010.db2.gz YHHCSRHVAQZLLV-LLVKDONJSA-N 1 0 331.417 -1.448 20 0 EAADRO CNC(=O)NCCC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001126698590 785772188 /nfs/dbraw/zinc/77/21/88/785772188.db2.gz YHHCSRHVAQZLLV-NSHDSACASA-N 1 0 331.417 -1.448 20 0 EAADRO CNC(=O)NCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001126698599 785771938 /nfs/dbraw/zinc/77/19/38/785771938.db2.gz YMHUPTOXGPGUHN-JTQLQIEISA-N 1 0 344.416 -1.366 20 0 EAADRO CNC(=O)NCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001126698605 785771598 /nfs/dbraw/zinc/77/15/98/785771598.db2.gz YMHUPTOXGPGUHN-SNVBAGLBSA-N 1 0 344.416 -1.366 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001126705471 785771869 /nfs/dbraw/zinc/77/18/69/785771869.db2.gz ABDILXFPHQVTRD-LLVKDONJSA-N 1 0 344.441 -1.101 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001126705475 785771468 /nfs/dbraw/zinc/77/14/68/785771468.db2.gz ABDILXFPHQVTRD-NSHDSACASA-N 1 0 344.441 -1.101 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]CCCNS(=O)(=O)CC)n1 ZINC001126706426 785771249 /nfs/dbraw/zinc/77/12/49/785771249.db2.gz LNJXQBYMLRJATF-UHFFFAOYSA-N 1 0 332.430 -1.053 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)n1 ZINC001126706486 785770960 /nfs/dbraw/zinc/77/09/60/785770960.db2.gz MQESHSZPKFUFCF-UHFFFAOYSA-N 1 0 330.414 -1.347 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(CC)n1 ZINC001126706642 785771800 /nfs/dbraw/zinc/77/18/00/785771800.db2.gz ORGWZSAIGBALRV-UHFFFAOYSA-N 1 0 325.373 -1.147 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)n1 ZINC001126711575 785772966 /nfs/dbraw/zinc/77/29/66/785772966.db2.gz JOCUOYWMVRFFNT-UHFFFAOYSA-N 1 0 332.430 -1.101 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC)n1 ZINC001126712837 785773300 /nfs/dbraw/zinc/77/33/00/785773300.db2.gz XOMKXACNUCQHBV-SECBINFHSA-N 1 0 325.373 -1.148 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(CC)n1 ZINC001126712838 785773324 /nfs/dbraw/zinc/77/33/24/785773324.db2.gz XOMKXACNUCQHBV-VIFPVBQESA-N 1 0 325.373 -1.148 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001126716343 785773022 /nfs/dbraw/zinc/77/30/22/785773022.db2.gz FKPSIJMYMRUTJB-JTQLQIEISA-N 1 0 338.368 -1.873 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001126716344 785772505 /nfs/dbraw/zinc/77/25/05/785772505.db2.gz FKPSIJMYMRUTJB-SNVBAGLBSA-N 1 0 338.368 -1.873 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)n1 ZINC001126716554 785773413 /nfs/dbraw/zinc/77/34/13/785773413.db2.gz JOJLYLPVSYZSBW-UHFFFAOYSA-N 1 0 337.384 -1.052 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC001126716597 785773572 /nfs/dbraw/zinc/77/35/72/785773572.db2.gz LOOQMRUCJGBTIY-UHFFFAOYSA-N 1 0 335.368 -1.785 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)n1 ZINC001126716905 785773524 /nfs/dbraw/zinc/77/35/24/785773524.db2.gz QCUGSISLOPJUFB-SECBINFHSA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)n1 ZINC001126716907 785773373 /nfs/dbraw/zinc/77/33/73/785773373.db2.gz QCUGSISLOPJUFB-VIFPVBQESA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC001126717041 785773063 /nfs/dbraw/zinc/77/30/63/785773063.db2.gz RGRLOXRYIFJFJT-JTQLQIEISA-N 1 0 339.400 -1.790 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)n1 ZINC001126717042 785772778 /nfs/dbraw/zinc/77/27/78/785772778.db2.gz RGRLOXRYIFJFJT-SNVBAGLBSA-N 1 0 339.400 -1.790 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001126720713 785772861 /nfs/dbraw/zinc/77/28/61/785772861.db2.gz CFVYNQQLFKAQKA-LLVKDONJSA-N 1 0 344.441 -1.101 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001126720714 785773717 /nfs/dbraw/zinc/77/37/17/785773717.db2.gz CFVYNQQLFKAQKA-NSHDSACASA-N 1 0 344.441 -1.101 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001126720746 785773160 /nfs/dbraw/zinc/77/31/60/785773160.db2.gz DIWBZLIMFANSHY-UHFFFAOYSA-N 1 0 332.430 -1.101 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001126721262 785773277 /nfs/dbraw/zinc/77/32/77/785773277.db2.gz LYRBVIVNUFRRNA-UHFFFAOYSA-N 1 0 330.414 -1.347 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001126722016 785775299 /nfs/dbraw/zinc/77/52/99/785775299.db2.gz VAZSSZSBQFZOQJ-UHFFFAOYSA-N 1 0 332.430 -1.053 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126726530 785777898 /nfs/dbraw/zinc/77/78/98/785777898.db2.gz CUSQIHPUTRRQFW-JTQLQIEISA-N 1 0 338.368 -1.873 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126726531 785778032 /nfs/dbraw/zinc/77/80/32/785778032.db2.gz CUSQIHPUTRRQFW-SNVBAGLBSA-N 1 0 338.368 -1.873 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnnn1CC ZINC001126727841 785779778 /nfs/dbraw/zinc/77/97/78/785779778.db2.gz QVZBKRVWPOYWKK-SECBINFHSA-N 1 0 325.373 -1.148 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnnn1CC ZINC001126727844 785779367 /nfs/dbraw/zinc/77/93/67/785779367.db2.gz QVZBKRVWPOYWKK-VIFPVBQESA-N 1 0 325.373 -1.148 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126732179 785779741 /nfs/dbraw/zinc/77/97/41/785779741.db2.gz FRRITYUYEOXVLX-JTQLQIEISA-N 1 0 339.400 -1.790 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126732180 785779302 /nfs/dbraw/zinc/77/93/02/785779302.db2.gz FRRITYUYEOXVLX-SNVBAGLBSA-N 1 0 339.400 -1.790 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001126732487 785779691 /nfs/dbraw/zinc/77/96/91/785779691.db2.gz KKMIMXJAUMGEHR-SECBINFHSA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001126732488 785779614 /nfs/dbraw/zinc/77/96/14/785779614.db2.gz KKMIMXJAUMGEHR-VIFPVBQESA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001126732818 785779948 /nfs/dbraw/zinc/77/99/48/785779948.db2.gz MBHKDPRHEJUEPL-UHFFFAOYSA-N 1 0 337.384 -1.052 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnnn1CC ZINC001126732844 785779499 /nfs/dbraw/zinc/77/94/99/785779499.db2.gz NJONUIWDFLLIIY-UHFFFAOYSA-N 1 0 325.373 -1.147 20 0 EAADRO CCn1nncc1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001126732861 785779598 /nfs/dbraw/zinc/77/95/98/785779598.db2.gz OBICQZSVZWXGLG-UHFFFAOYSA-N 1 0 335.368 -1.785 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ncc[nH]1)NC[C@@H]1CCS(=O)(=O)C1 ZINC001126805932 785819944 /nfs/dbraw/zinc/81/99/44/785819944.db2.gz DEDIYHUBPUGIQX-JTQLQIEISA-N 1 0 343.409 -1.720 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ncc[nH]1)NC[C@H]1CCS(=O)(=O)C1 ZINC001126805933 785819821 /nfs/dbraw/zinc/81/98/21/785819821.db2.gz DEDIYHUBPUGIQX-SNVBAGLBSA-N 1 0 343.409 -1.720 20 0 EAADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)c2ncc[nH]2)cn1 ZINC001126806566 785819785 /nfs/dbraw/zinc/81/97/85/785819785.db2.gz JEAOMIRYZGWLLM-UHFFFAOYSA-N 1 0 348.367 -1.690 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ncc[nH]2)C1 ZINC001126806604 785819371 /nfs/dbraw/zinc/81/93/71/785819371.db2.gz LBOYVFJJIPYJNH-GFCCVEGCSA-N 1 0 336.396 -1.144 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ncc[nH]2)C1 ZINC001126806605 785819962 /nfs/dbraw/zinc/81/99/62/785819962.db2.gz LBOYVFJJIPYJNH-LBPRGKRZSA-N 1 0 336.396 -1.144 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)c2ncc[nH]2)CC1 ZINC001126806616 785818965 /nfs/dbraw/zinc/81/89/65/785818965.db2.gz LJNFXXXDFXPDLD-UHFFFAOYSA-N 1 0 336.396 -1.144 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ncc[nH]1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126810155 785820989 /nfs/dbraw/zinc/82/09/89/785820989.db2.gz CADZJLPJYOERMR-GHMZBOCLSA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ncc[nH]1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126810157 785821329 /nfs/dbraw/zinc/82/13/29/785821329.db2.gz CADZJLPJYOERMR-MNOVXSKESA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ncc[nH]1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126810159 785820761 /nfs/dbraw/zinc/82/07/61/785820761.db2.gz CADZJLPJYOERMR-QWRGUYRKSA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ncc[nH]1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126810161 785821215 /nfs/dbraw/zinc/82/12/15/785821215.db2.gz CADZJLPJYOERMR-WDEREUQCSA-N 1 0 336.396 -1.159 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126810877 785820838 /nfs/dbraw/zinc/82/08/38/785820838.db2.gz NCLOYMRACIGGPS-UHFFFAOYSA-N 1 0 333.414 -1.315 20 0 EAADRO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)c2ncc[nH]2)cn1 ZINC001126812053 785821560 /nfs/dbraw/zinc/82/15/60/785821560.db2.gz ZYIKZBZMZCAPLS-UHFFFAOYSA-N 1 0 341.397 -1.559 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCNC(=O)c2ncc[nH]2)CC1 ZINC001126827802 785822236 /nfs/dbraw/zinc/82/22/36/785822236.db2.gz CAQQASGTJXIHDB-LLVKDONJSA-N 1 0 336.396 -1.192 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCNC(=O)c2ncc[nH]2)CC1 ZINC001126827803 785822211 /nfs/dbraw/zinc/82/22/11/785822211.db2.gz CAQQASGTJXIHDB-NSHDSACASA-N 1 0 336.396 -1.192 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2ncc[nH]2)CC1 ZINC001126827804 785822514 /nfs/dbraw/zinc/82/25/14/785822514.db2.gz CCHGPPURWQBAIH-UHFFFAOYSA-N 1 0 336.396 -1.286 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1ncc[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001126827849 785823214 /nfs/dbraw/zinc/82/32/14/785823214.db2.gz DHRKEFLTPGXEKB-JTQLQIEISA-N 1 0 343.409 -1.625 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1ncc[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001126827854 785823377 /nfs/dbraw/zinc/82/33/77/785823377.db2.gz DHRKEFLTPGXEKB-SNVBAGLBSA-N 1 0 343.409 -1.625 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ncc[nH]1)N1CCN(C(=O)C2CC2)CC1 ZINC001126827979 785821996 /nfs/dbraw/zinc/82/19/96/785821996.db2.gz INSSXQNCIJJCJT-UHFFFAOYSA-N 1 0 348.407 -1.190 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ncc[nH]1)C(=O)N1CCC(C(N)=O)CC1 ZINC001126828003 785822110 /nfs/dbraw/zinc/82/21/10/785822110.db2.gz JQIJXXZKYPWDBX-JTQLQIEISA-N 1 0 336.396 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ncc[nH]1)C(=O)N1CCC(C(N)=O)CC1 ZINC001126828080 785821827 /nfs/dbraw/zinc/82/18/27/785821827.db2.gz JQIJXXZKYPWDBX-SNVBAGLBSA-N 1 0 336.396 -1.159 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126828137 785822665 /nfs/dbraw/zinc/82/26/65/785822665.db2.gz KRXFMOIFGKXODF-SECBINFHSA-N 1 0 326.357 -1.410 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126828138 785821851 /nfs/dbraw/zinc/82/18/51/785821851.db2.gz KRXFMOIFGKXODF-VIFPVBQESA-N 1 0 326.357 -1.410 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ncc[nH]1)NCCCN1CCCC1=O ZINC001126828247 785822594 /nfs/dbraw/zinc/82/25/94/785822594.db2.gz PPSOXNQTZSYJOI-UHFFFAOYSA-N 1 0 336.396 -1.142 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)CC2(O)CCC2)CC1 ZINC001126855523 785824522 /nfs/dbraw/zinc/82/45/22/785824522.db2.gz GHVIVEWTCZCYJL-UHFFFAOYSA-N 1 0 340.424 -1.279 20 0 EAADRO Cc1c[nH]nc1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001126856965 785824546 /nfs/dbraw/zinc/82/45/46/785824546.db2.gz YDUMGGPYMMVHCB-UHFFFAOYSA-N 1 0 336.396 -1.239 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC2(O)CCC2)C1 ZINC001126860320 785825530 /nfs/dbraw/zinc/82/55/30/785825530.db2.gz DURBHNKQKFNQAT-GFCCVEGCSA-N 1 0 340.424 -1.279 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC2(O)CCC2)C1 ZINC001126860321 785825809 /nfs/dbraw/zinc/82/58/09/785825809.db2.gz DURBHNKQKFNQAT-LBPRGKRZSA-N 1 0 340.424 -1.279 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CC1(O)CCC1)C(=O)N(C)C ZINC001126860491 785824686 /nfs/dbraw/zinc/82/46/86/785824686.db2.gz LNKUWOZAGAUZQE-LLVKDONJSA-N 1 0 328.413 -1.410 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CC1(O)CCC1)C(=O)N(C)C ZINC001126860492 785823811 /nfs/dbraw/zinc/82/38/11/785823811.db2.gz LNKUWOZAGAUZQE-NSHDSACASA-N 1 0 328.413 -1.410 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CC1(O)CCC1 ZINC001126860628 785825703 /nfs/dbraw/zinc/82/57/03/785825703.db2.gz MWJWNODHBBPVTB-UHFFFAOYSA-N 1 0 342.440 -1.018 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)CC2(O)CCC2)CC1 ZINC001126860693 785824404 /nfs/dbraw/zinc/82/44/04/785824404.db2.gz PUXBQJSQMQPDOI-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CC1(O)CCC1)NCC(=O)N1CCCC1 ZINC001126860851 785824326 /nfs/dbraw/zinc/82/43/26/785824326.db2.gz SCEYYCZBSOPVED-UHFFFAOYSA-N 1 0 340.424 -1.264 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CC1(O)CCC1 ZINC001126860880 785824257 /nfs/dbraw/zinc/82/42/57/785824257.db2.gz SSQDMOVWLZDJPU-LLVKDONJSA-N 1 0 344.412 -1.142 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CC1(O)CCC1 ZINC001126860881 785824862 /nfs/dbraw/zinc/82/48/62/785824862.db2.gz SSQDMOVWLZDJPU-NSHDSACASA-N 1 0 344.412 -1.142 20 0 EAADRO O=C(CC1(O)CCC1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126860999 785824856 /nfs/dbraw/zinc/82/48/56/785824856.db2.gz WXPQMPNDONVXKU-LLVKDONJSA-N 1 0 327.381 -1.493 20 0 EAADRO O=C(CC1(O)CCC1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126861003 785824179 /nfs/dbraw/zinc/82/41/79/785824179.db2.gz WXPQMPNDONVXKU-NSHDSACASA-N 1 0 327.381 -1.493 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1n[nH]cc1C ZINC001126867524 785824711 /nfs/dbraw/zinc/82/47/11/785824711.db2.gz DIEQCHOYLLOPGF-UHFFFAOYSA-N 1 0 347.441 -1.007 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2n[nH]cc2C)CC1 ZINC001126867887 785826121 /nfs/dbraw/zinc/82/61/21/785826121.db2.gz GIIHODLZQJKUIB-UHFFFAOYSA-N 1 0 336.396 -1.272 20 0 EAADRO Cc1c[nH]nc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126869698 785826577 /nfs/dbraw/zinc/82/65/77/785826577.db2.gz PZFFCFGJKMRWBY-LLVKDONJSA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1c[nH]nc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126869700 785826850 /nfs/dbraw/zinc/82/68/50/785826850.db2.gz PZFFCFGJKMRWBY-NSHDSACASA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1c[nH]nc1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001126869786 785825972 /nfs/dbraw/zinc/82/59/72/785825972.db2.gz RRDJUUSYBQXTAC-UHFFFAOYSA-N 1 0 336.396 -1.224 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1C ZINC001126875833 785826000 /nfs/dbraw/zinc/82/60/00/785826000.db2.gz OUPZYEMLRYVMAF-JTQLQIEISA-N 1 0 340.384 -1.102 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1C ZINC001126875834 785827281 /nfs/dbraw/zinc/82/72/81/785827281.db2.gz OUPZYEMLRYVMAF-SNVBAGLBSA-N 1 0 340.384 -1.102 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126907458 785828749 /nfs/dbraw/zinc/82/87/49/785828749.db2.gz NYFSRYNGHZRIIC-MRVPVSSYSA-N 1 0 325.373 -1.404 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126907459 785827874 /nfs/dbraw/zinc/82/78/74/785827874.db2.gz NYFSRYNGHZRIIC-QMMMGPOBSA-N 1 0 325.373 -1.404 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126912327 785831982 /nfs/dbraw/zinc/83/19/82/785831982.db2.gz JLZNWHUMEVIRNF-UHFFFAOYSA-N 1 0 325.373 -1.403 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)[nH]1 ZINC001126912343 785832150 /nfs/dbraw/zinc/83/21/50/785832150.db2.gz KOMFAOCWZRWDBH-UHFFFAOYSA-N 1 0 330.414 -1.603 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126912593 785831380 /nfs/dbraw/zinc/83/13/80/785831380.db2.gz QUXGHERQXWQFGC-UHFFFAOYSA-N 1 0 332.430 -1.309 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)[nH]1 ZINC001126920834 785831496 /nfs/dbraw/zinc/83/14/96/785831496.db2.gz CLWNMICCADVCHM-GFCCVEGCSA-N 1 0 346.395 -1.100 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)[nH]1 ZINC001126920836 785832488 /nfs/dbraw/zinc/83/24/88/785832488.db2.gz CLWNMICCADVCHM-LBPRGKRZSA-N 1 0 346.395 -1.100 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)[nH]1 ZINC001126920838 785832023 /nfs/dbraw/zinc/83/20/23/785832023.db2.gz CNCCKFWXMVVOOP-JTQLQIEISA-N 1 0 338.368 -2.129 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[nH]1 ZINC001126920840 785831723 /nfs/dbraw/zinc/83/17/23/785831723.db2.gz CNCCKFWXMVVOOP-SNVBAGLBSA-N 1 0 338.368 -2.129 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)[nH]1 ZINC001126921066 785831050 /nfs/dbraw/zinc/83/10/50/785831050.db2.gz GZJDZGGIABYHSZ-UHFFFAOYSA-N 1 0 339.400 -1.014 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N(C)Cc2cnn(C)c2)[nH]1 ZINC001126921334 785831578 /nfs/dbraw/zinc/83/15/78/785831578.db2.gz KNOMCYAHRFGICL-UHFFFAOYSA-N 1 0 348.411 -1.246 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[nH]1 ZINC001126921404 785830962 /nfs/dbraw/zinc/83/09/62/785830962.db2.gz NOFWGNPTGJHVAW-LLVKDONJSA-N 1 0 344.441 -1.357 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[nH]1 ZINC001126921405 785831441 /nfs/dbraw/zinc/83/14/41/785831441.db2.gz NOFWGNPTGJHVAW-NSHDSACASA-N 1 0 344.441 -1.357 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)[nH]1 ZINC001126921594 785832566 /nfs/dbraw/zinc/83/25/66/785832566.db2.gz QXTAOGZSSYLCAX-UHFFFAOYSA-N 1 0 339.400 -1.157 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)[nH]1 ZINC001126921652 785831005 /nfs/dbraw/zinc/83/10/05/785831005.db2.gz UJBOHTQAOGOWSG-UHFFFAOYSA-N 1 0 332.430 -1.357 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126921841 785832037 /nfs/dbraw/zinc/83/20/37/785832037.db2.gz XXVJIISWVGSOIX-UHFFFAOYSA-N 1 0 347.441 -1.187 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126921848 785831673 /nfs/dbraw/zinc/83/16/73/785831673.db2.gz YCIPYMIPCQVASG-CMPLNLGQSA-N 1 0 329.401 -1.226 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126921849 785833554 /nfs/dbraw/zinc/83/35/54/785833554.db2.gz YCIPYMIPCQVASG-JQWIXIFHSA-N 1 0 329.401 -1.226 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126921850 785834065 /nfs/dbraw/zinc/83/40/65/785834065.db2.gz YCIPYMIPCQVASG-PWSUYJOCSA-N 1 0 329.401 -1.226 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126921851 785834225 /nfs/dbraw/zinc/83/42/25/785834225.db2.gz YCIPYMIPCQVASG-ZYHUDNBSSA-N 1 0 329.401 -1.226 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)[nH]1 ZINC001126921865 785833440 /nfs/dbraw/zinc/83/34/40/785833440.db2.gz YPZJEIQABLZDDT-LLVKDONJSA-N 1 0 346.395 -1.100 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)[nH]1 ZINC001126921866 785834418 /nfs/dbraw/zinc/83/44/18/785834418.db2.gz YPZJEIQABLZDDT-NSHDSACASA-N 1 0 346.395 -1.100 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126926066 785834369 /nfs/dbraw/zinc/83/43/69/785834369.db2.gz FCQVVHMHSZSKOV-UHFFFAOYSA-N 1 0 339.400 -1.013 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)[nH]1 ZINC001126926162 785833313 /nfs/dbraw/zinc/83/33/13/785833313.db2.gz HTFZLNFDWQOIIF-CHWSQXEVSA-N 1 0 341.412 -1.082 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)[nH]1 ZINC001126926163 785832882 /nfs/dbraw/zinc/83/28/82/785832882.db2.gz HTFZLNFDWQOIIF-OLZOCXBDSA-N 1 0 341.412 -1.082 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)[nH]1 ZINC001126926164 785833580 /nfs/dbraw/zinc/83/35/80/785833580.db2.gz HTFZLNFDWQOIIF-QWHCGFSZSA-N 1 0 341.412 -1.082 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)[nH]1 ZINC001126926165 785833600 /nfs/dbraw/zinc/83/36/00/785833600.db2.gz HTFZLNFDWQOIIF-STQMWFEESA-N 1 0 341.412 -1.082 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC001126926187 785833419 /nfs/dbraw/zinc/83/34/19/785833419.db2.gz IRMJMEBZKXUNBH-UHFFFAOYSA-N 1 0 337.384 -1.308 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)[nH]1 ZINC001126926206 785833759 /nfs/dbraw/zinc/83/37/59/785833759.db2.gz JMLLJMMYZWNOER-GHMZBOCLSA-N 1 0 338.412 -1.003 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC001126926207 785833979 /nfs/dbraw/zinc/83/39/79/785833979.db2.gz JMLLJMMYZWNOER-PHIMTYICSA-N 1 0 338.412 -1.003 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)[nH]1 ZINC001126926208 785833130 /nfs/dbraw/zinc/83/31/30/785833130.db2.gz JMLLJMMYZWNOER-QWRGUYRKSA-N 1 0 338.412 -1.003 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)[nH]1 ZINC001126926448 785833708 /nfs/dbraw/zinc/83/37/08/785833708.db2.gz LWKSOKAMFZYQCG-UHFFFAOYSA-N 1 0 335.368 -2.041 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[nH]1 ZINC001126926471 785833872 /nfs/dbraw/zinc/83/38/72/785833872.db2.gz MRPJHIMFMPHZOD-SECBINFHSA-N 1 0 339.400 -1.016 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[nH]1 ZINC001126926472 785832988 /nfs/dbraw/zinc/83/29/88/785832988.db2.gz MRPJHIMFMPHZOD-VIFPVBQESA-N 1 0 339.400 -1.016 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126926512 785833267 /nfs/dbraw/zinc/83/32/67/785833267.db2.gz OGGQVNXEQKHWEF-JTQLQIEISA-N 1 0 326.401 -1.097 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126926513 785833298 /nfs/dbraw/zinc/83/32/98/785833298.db2.gz OGGQVNXEQKHWEF-SNVBAGLBSA-N 1 0 326.401 -1.097 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[nH]1 ZINC001126926515 785833622 /nfs/dbraw/zinc/83/36/22/785833622.db2.gz OHWOUQXTEWUSQM-SECBINFHSA-N 1 0 339.400 -2.046 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[nH]1 ZINC001126926516 785833733 /nfs/dbraw/zinc/83/37/33/785833733.db2.gz OHWOUQXTEWUSQM-VIFPVBQESA-N 1 0 339.400 -2.046 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)[nH]1 ZINC001126926645 785833399 /nfs/dbraw/zinc/83/33/99/785833399.db2.gz PZLXMKVPPHBJAX-MRVPVSSYSA-N 1 0 337.384 -1.262 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)[nH]1 ZINC001126926647 785834272 /nfs/dbraw/zinc/83/42/72/785834272.db2.gz PZLXMKVPPHBJAX-QMMMGPOBSA-N 1 0 337.384 -1.262 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)[nH]1 ZINC001126926835 785833482 /nfs/dbraw/zinc/83/34/82/785833482.db2.gz SXCFRIXLEJXAFL-GFCCVEGCSA-N 1 0 341.412 -1.082 20 0 EAADRO Cc1nnc(CC(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)[nH]1 ZINC001126926836 785834532 /nfs/dbraw/zinc/83/45/32/785834532.db2.gz SXCFRIXLEJXAFL-LBPRGKRZSA-N 1 0 341.412 -1.082 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)nn1 ZINC001126938670 785834011 /nfs/dbraw/zinc/83/40/11/785834011.db2.gz GARYTAOIQQZXKX-UHFFFAOYSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)nn1 ZINC001126939207 785833676 /nfs/dbraw/zinc/83/36/76/785833676.db2.gz RSGFSXSLPBRBTD-LLVKDONJSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)nn1 ZINC001126939208 785834055 /nfs/dbraw/zinc/83/40/55/785834055.db2.gz RSGFSXSLPBRBTD-NSHDSACASA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001126943069 785833327 /nfs/dbraw/zinc/83/33/27/785833327.db2.gz JOGGEAUNCQWKKI-UHFFFAOYSA-N 1 0 332.364 -1.298 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2ccc(C)nn2)CC1 ZINC001126943070 785833689 /nfs/dbraw/zinc/83/36/89/785833689.db2.gz JTAFJWPWZNERKG-UHFFFAOYSA-N 1 0 348.407 -1.205 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)nn1 ZINC001126943148 785833824 /nfs/dbraw/zinc/83/38/24/785833824.db2.gz MXKBMIBYOGBRLG-LLVKDONJSA-N 1 0 336.396 -1.303 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)nn1 ZINC001126943149 785834547 /nfs/dbraw/zinc/83/45/47/785834547.db2.gz MXKBMIBYOGBRLG-NSHDSACASA-N 1 0 336.396 -1.303 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)nn1 ZINC001126943549 785834331 /nfs/dbraw/zinc/83/43/31/785834331.db2.gz QSOVDAVAYKDWFA-GFCCVEGCSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)nn1 ZINC001126943550 785833803 /nfs/dbraw/zinc/83/38/03/785833803.db2.gz QSOVDAVAYKDWFA-LBPRGKRZSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)nn1 ZINC001126943680 785833214 /nfs/dbraw/zinc/83/32/14/785833214.db2.gz SJRIVITVQXQQQE-UHFFFAOYSA-N 1 0 348.407 -1.157 20 0 EAADRO Cc1cn(C)nc1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126955029 785835345 /nfs/dbraw/zinc/83/53/45/785835345.db2.gz XWIWNCYETBHWNF-LLVKDONJSA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1cn(C)nc1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126955030 785836015 /nfs/dbraw/zinc/83/60/15/785836015.db2.gz XWIWNCYETBHWNF-NSHDSACASA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1cn(C)nc1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001126959442 785836408 /nfs/dbraw/zinc/83/64/08/785836408.db2.gz ISZRCAWWDWKLOD-UHFFFAOYSA-N 1 0 334.380 -1.354 20 0 EAADRO Cc1cn(C)nc1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126960946 785836460 /nfs/dbraw/zinc/83/64/60/785836460.db2.gz SPJFNWRMHADEFB-LLVKDONJSA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1cn(C)nc1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126960947 785836591 /nfs/dbraw/zinc/83/65/91/785836591.db2.gz SPJFNWRMHADEFB-NSHDSACASA-N 1 0 338.412 -1.359 20 0 EAADRO Cn1ccc(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)n1 ZINC001126971709 785837389 /nfs/dbraw/zinc/83/73/89/785837389.db2.gz OKMTZVHBHYLQBQ-UHFFFAOYSA-N 1 0 329.426 -1.296 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1ccn(C)n1 ZINC001126971712 785837257 /nfs/dbraw/zinc/83/72/57/785837257.db2.gz OSCSYGRPKIQGOS-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO Cn1ccc(CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001126972021 785837509 /nfs/dbraw/zinc/83/75/09/785837509.db2.gz ZMSZACKDDBDHAK-GFCCVEGCSA-N 1 0 343.453 -1.050 20 0 EAADRO Cn1ccc(CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001126972022 785837524 /nfs/dbraw/zinc/83/75/24/785837524.db2.gz ZMSZACKDDBDHAK-LBPRGKRZSA-N 1 0 343.453 -1.050 20 0 EAADRO Cn1ccc(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC001126975264 785837124 /nfs/dbraw/zinc/83/71/24/785837124.db2.gz CTTKVASBOBZJNM-UHFFFAOYSA-N 1 0 334.380 -1.734 20 0 EAADRO Cn1ccc(CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)n1 ZINC001126975521 785836431 /nfs/dbraw/zinc/83/64/31/785836431.db2.gz FTBDHQYVPMVHIG-UHFFFAOYSA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1ccn(C)n1)C(=O)N(C)C ZINC001126975565 785836349 /nfs/dbraw/zinc/83/63/49/785836349.db2.gz HLBXWFRVLWHGIZ-LLVKDONJSA-N 1 0 338.412 -1.739 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1ccn(C)n1)C(=O)N(C)C ZINC001126975566 785836961 /nfs/dbraw/zinc/83/69/61/785836961.db2.gz HLBXWFRVLWHGIZ-NSHDSACASA-N 1 0 338.412 -1.739 20 0 EAADRO Cn1ccc(CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001126975606 785836927 /nfs/dbraw/zinc/83/69/27/785836927.db2.gz IVVORFRFTBNIML-GFCCVEGCSA-N 1 0 337.380 -1.822 20 0 EAADRO Cn1ccc(CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001126975607 785836734 /nfs/dbraw/zinc/83/67/34/785836734.db2.gz IVVORFRFTBNIML-LBPRGKRZSA-N 1 0 337.380 -1.822 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cc1ccn(C)n1 ZINC001126976041 785837033 /nfs/dbraw/zinc/83/70/33/785837033.db2.gz QSJFOUOMAMTVHW-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO COCC1(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001126979253 785837068 /nfs/dbraw/zinc/83/70/68/785837068.db2.gz JTKVFAOIHWGEQF-UHFFFAOYSA-N 1 0 326.397 -1.533 20 0 EAADRO CCO[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C(C)C ZINC001126994258 785836514 /nfs/dbraw/zinc/83/65/14/785836514.db2.gz BKBADDQTNSGFJF-AWEZNQCLSA-N 1 0 328.413 -1.288 20 0 EAADRO CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C(C)C ZINC001126994259 785837731 /nfs/dbraw/zinc/83/77/31/785837731.db2.gz BKBADDQTNSGFJF-CQSZACIVSA-N 1 0 328.413 -1.288 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001127027189 785840661 /nfs/dbraw/zinc/84/06/61/785840661.db2.gz LIJGCDHAGPZRJE-CYBMUJFWSA-N 1 0 338.412 -1.245 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001127027192 785840267 /nfs/dbraw/zinc/84/02/67/785840267.db2.gz LIJGCDHAGPZRJE-ZDUSSCGKSA-N 1 0 338.412 -1.245 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127034999 785841349 /nfs/dbraw/zinc/84/13/49/785841349.db2.gz BUXUCOHYSJAELS-UHFFFAOYSA-N 1 0 341.412 -1.644 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001127035572 785841971 /nfs/dbraw/zinc/84/19/71/785841971.db2.gz LDYYEUDGIVRPER-GFCCVEGCSA-N 1 0 346.453 -1.068 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001127035573 785841071 /nfs/dbraw/zinc/84/10/71/785841071.db2.gz LDYYEUDGIVRPER-LBPRGKRZSA-N 1 0 346.453 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035736 785841433 /nfs/dbraw/zinc/84/14/33/785841433.db2.gz ORJWUWUPRNOJKZ-UHFFFAOYSA-N 1 0 328.373 -2.047 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001127035809 785840885 /nfs/dbraw/zinc/84/08/85/785840885.db2.gz RYNVIXMIFXXPGX-UHFFFAOYSA-N 1 0 349.395 -1.074 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127035831 785841057 /nfs/dbraw/zinc/84/10/57/785841057.db2.gz SQSSHAYZXVYHSY-JTQLQIEISA-N 1 0 325.369 -1.697 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127035832 785841280 /nfs/dbraw/zinc/84/12/80/785841280.db2.gz SQSSHAYZXVYHSY-SNVBAGLBSA-N 1 0 325.369 -1.697 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035912 785841543 /nfs/dbraw/zinc/84/15/43/785841543.db2.gz STDKYFNBLPWYQG-UHFFFAOYSA-N 1 0 343.428 -1.350 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035920 785840901 /nfs/dbraw/zinc/84/09/01/785840901.db2.gz TUMSZIICMMXICA-UHFFFAOYSA-N 1 0 342.400 -1.657 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CNC(=O)N1CCCC1)S(C)(=O)=O ZINC001127036022 785841523 /nfs/dbraw/zinc/84/15/23/785841523.db2.gz XWLYBLNDKUUDAU-UHFFFAOYSA-N 1 0 349.457 -1.611 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127036055 785841189 /nfs/dbraw/zinc/84/11/89/785841189.db2.gz ZZWNVNCNXFTWNU-UHFFFAOYSA-N 1 0 343.428 -1.350 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)nn1 ZINC001127039141 785841980 /nfs/dbraw/zinc/84/19/80/785841980.db2.gz DMTLGYPZNHFUKI-UHFFFAOYSA-N 1 0 338.368 -1.607 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127039272 785841089 /nfs/dbraw/zinc/84/10/89/785841089.db2.gz HBLWRGGRRPNXJL-UHFFFAOYSA-N 1 0 334.442 -1.068 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001127039379 785841929 /nfs/dbraw/zinc/84/19/29/785841929.db2.gz IGXQXXJPCABSFA-UHFFFAOYSA-N 1 0 339.396 -1.353 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127039404 785841855 /nfs/dbraw/zinc/84/18/55/785841855.db2.gz IXIOYAKTJCOBLT-UHFFFAOYSA-N 1 0 340.384 -1.951 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CC(=O)Nc2ccon2)nn1 ZINC001127039540 785841261 /nfs/dbraw/zinc/84/12/61/785841261.db2.gz LPOZKOFWRSHRGJ-UHFFFAOYSA-N 1 0 337.340 -1.129 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)nn1 ZINC001127039647 785841710 /nfs/dbraw/zinc/84/17/10/785841710.db2.gz OEPSOEKKNLFJPZ-MRVPVSSYSA-N 1 0 327.345 -2.173 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)nn1 ZINC001127039648 785841503 /nfs/dbraw/zinc/84/15/03/785841503.db2.gz OEPSOEKKNLFJPZ-QMMMGPOBSA-N 1 0 327.345 -2.173 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127039664 785841764 /nfs/dbraw/zinc/84/17/64/785841764.db2.gz OOMDGTAKZHAQBB-CYBMUJFWSA-N 1 0 346.428 -1.479 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127039665 785841564 /nfs/dbraw/zinc/84/15/64/785841564.db2.gz OOMDGTAKZHAQBB-ZDUSSCGKSA-N 1 0 346.428 -1.479 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127039850 785841024 /nfs/dbraw/zinc/84/10/24/785841024.db2.gz REAACOWHTSPVCF-UHFFFAOYSA-N 1 0 335.430 -1.953 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)nn1 ZINC001127039852 785841943 /nfs/dbraw/zinc/84/19/43/785841943.db2.gz RIMNJCAUOPKIFV-GFCCVEGCSA-N 1 0 337.384 -1.499 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)nn1 ZINC001127039853 785841900 /nfs/dbraw/zinc/84/19/00/785841900.db2.gz RIMNJCAUOPKIFV-LBPRGKRZSA-N 1 0 337.384 -1.499 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127039906 785842086 /nfs/dbraw/zinc/84/20/86/785842086.db2.gz UHFOOOMWGUPETM-UHFFFAOYSA-N 1 0 349.457 -1.563 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127040007 785841743 /nfs/dbraw/zinc/84/17/43/785841743.db2.gz WIQAJYGEJBOMBM-SECBINFHSA-N 1 0 341.372 -1.912 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127040008 785841805 /nfs/dbraw/zinc/84/18/05/785841805.db2.gz WIQAJYGEJBOMBM-VIFPVBQESA-N 1 0 341.372 -1.912 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCC[NH2+]CCN1CCNC1=O ZINC001127040035 785841584 /nfs/dbraw/zinc/84/15/84/785841584.db2.gz WXYPJYJBWZHGNT-UHFFFAOYSA-N 1 0 326.401 -1.477 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127040063 785841412 /nfs/dbraw/zinc/84/14/12/785841412.db2.gz XMSAHAOVVGSGAZ-UHFFFAOYSA-N 1 0 343.428 -1.350 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)N1CCCC1)C(=O)NC(N)=O ZINC001127040069 785842240 /nfs/dbraw/zinc/84/22/40/785842240.db2.gz XVGNJFXRACGHRN-SECBINFHSA-N 1 0 328.373 -1.919 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)N1CCCC1)C(=O)NC(N)=O ZINC001127040073 785843216 /nfs/dbraw/zinc/84/32/16/785843216.db2.gz XVGNJFXRACGHRN-VIFPVBQESA-N 1 0 328.373 -1.919 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127040166 785842285 /nfs/dbraw/zinc/84/22/85/785842285.db2.gz ZTIIICURBYARCY-JTQLQIEISA-N 1 0 342.400 -1.658 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127040167 785843278 /nfs/dbraw/zinc/84/32/78/785843278.db2.gz ZTIIICURBYARCY-SNVBAGLBSA-N 1 0 342.400 -1.658 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCN2CCNC2=O)nn1 ZINC001127056612 785842956 /nfs/dbraw/zinc/84/29/56/785842956.db2.gz FIKZOYZWXKNLQY-UHFFFAOYSA-N 1 0 325.373 -1.731 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056701 785842787 /nfs/dbraw/zinc/84/27/87/785842787.db2.gz GLPNKZPQTCEUIF-UHFFFAOYSA-N 1 0 342.400 -1.603 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056710 785842301 /nfs/dbraw/zinc/84/23/01/785842301.db2.gz GVTVNODTYGDATA-GFCCVEGCSA-N 1 0 345.400 -1.732 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056713 785843247 /nfs/dbraw/zinc/84/32/47/785843247.db2.gz GVTVNODTYGDATA-LBPRGKRZSA-N 1 0 345.400 -1.732 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)nn1 ZINC001127056739 785843261 /nfs/dbraw/zinc/84/32/61/785843261.db2.gz HYWAKKCFQYXWPJ-LLVKDONJSA-N 1 0 347.441 -1.075 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)nn1 ZINC001127056740 785842552 /nfs/dbraw/zinc/84/25/52/785842552.db2.gz HYWAKKCFQYXWPJ-NSHDSACASA-N 1 0 347.441 -1.075 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056774 785843377 /nfs/dbraw/zinc/84/33/77/785843377.db2.gz JFYVQZKYBGSAEV-UHFFFAOYSA-N 1 0 327.345 -2.301 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001127056787 785842808 /nfs/dbraw/zinc/84/28/08/785842808.db2.gz JMKLYVUAUSIGNB-LLVKDONJSA-N 1 0 345.425 -1.321 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001127056788 785842470 /nfs/dbraw/zinc/84/24/70/785842470.db2.gz JMKLYVUAUSIGNB-NSHDSACASA-N 1 0 345.425 -1.321 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001127056824 785842983 /nfs/dbraw/zinc/84/29/83/785842983.db2.gz KNKLFSHGMYNFCG-UHFFFAOYSA-N 1 0 339.356 -2.204 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)nn1 ZINC001127056861 785842496 /nfs/dbraw/zinc/84/24/96/785842496.db2.gz LRVIMMWDGMNLFA-UHFFFAOYSA-N 1 0 340.384 -1.897 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056891 785843148 /nfs/dbraw/zinc/84/31/48/785843148.db2.gz MOVADYMYGDHJNI-UHFFFAOYSA-N 1 0 348.429 -1.817 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)nn1 ZINC001127056901 785842968 /nfs/dbraw/zinc/84/29/68/785842968.db2.gz MXDWVBSYWSOGFT-UHFFFAOYSA-N 1 0 334.402 -2.207 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056911 785842589 /nfs/dbraw/zinc/84/25/89/785842589.db2.gz NCZSPTHTGMXYHM-UHFFFAOYSA-N 1 0 342.400 -1.603 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056925 785842481 /nfs/dbraw/zinc/84/24/81/785842481.db2.gz OEYIGTTULWKUQB-UHFFFAOYSA-N 1 0 341.372 -1.910 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCOCCNC(C)=O)nn1 ZINC001127056946 785843061 /nfs/dbraw/zinc/84/30/61/785843061.db2.gz PDYAPYQIIYEMQI-UHFFFAOYSA-N 1 0 342.400 -1.603 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCNC(=O)NC(C)C)nn1 ZINC001127056972 785843165 /nfs/dbraw/zinc/84/31/65/785843165.db2.gz PWHGSCUHFXRTIB-UHFFFAOYSA-N 1 0 341.416 -1.049 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)nn1 ZINC001127057042 785842627 /nfs/dbraw/zinc/84/26/27/785842627.db2.gz SIUPVIBZKMPHOE-UHFFFAOYSA-N 1 0 348.429 -1.865 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CCCS(C)(=O)=O)nn1 ZINC001127057134 785842994 /nfs/dbraw/zinc/84/29/94/785842994.db2.gz XSEIOBLKYBTFKN-UHFFFAOYSA-N 1 0 333.414 -1.321 20 0 EAADRO COCCn1cc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)nn1 ZINC001127057135 785843342 /nfs/dbraw/zinc/84/33/42/785843342.db2.gz XVUYYJVTRRMYKE-UHFFFAOYSA-N 1 0 348.367 -1.327 20 0 EAADRO O=C(CCOCC1CC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127072839 785843552 /nfs/dbraw/zinc/84/35/52/785843552.db2.gz OQBQPNANFGWZSM-UHFFFAOYSA-N 1 0 326.397 -1.533 20 0 EAADRO COCCOc1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)ccn1 ZINC001127078789 785843646 /nfs/dbraw/zinc/84/36/46/785843646.db2.gz RXVJGLHIKUHIID-UHFFFAOYSA-N 1 0 339.352 -1.379 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001127087873 785844783 /nfs/dbraw/zinc/84/47/83/785844783.db2.gz CJVDUUUIVYJJKN-UHFFFAOYSA-N 1 0 330.432 -2.819 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001127087882 785844243 /nfs/dbraw/zinc/84/42/43/785844243.db2.gz COEWNKIUUZRLFA-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001127087903 785844374 /nfs/dbraw/zinc/84/43/74/785844374.db2.gz DQCAEVKXKUXMAC-GFCCVEGCSA-N 1 0 339.458 -1.335 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001127087904 785844944 /nfs/dbraw/zinc/84/49/44/785844944.db2.gz DQCAEVKXKUXMAC-LBPRGKRZSA-N 1 0 339.458 -1.335 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001127087909 785844127 /nfs/dbraw/zinc/84/41/27/785844127.db2.gz DVRFPSYVABCIFC-JTQLQIEISA-N 1 0 343.471 -1.688 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001127087910 785844214 /nfs/dbraw/zinc/84/42/14/785844214.db2.gz DVRFPSYVABCIFC-SNVBAGLBSA-N 1 0 343.471 -1.688 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)NC)C1CC1 ZINC001127087917 785844605 /nfs/dbraw/zinc/84/46/05/785844605.db2.gz FCNLNPUMYWJVNW-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001127087926 785845440 /nfs/dbraw/zinc/84/54/40/785845440.db2.gz FLXFYPIOCJDEGA-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001127087935 785844714 /nfs/dbraw/zinc/84/47/14/785844714.db2.gz GALOFWHHCIDBRR-UHFFFAOYSA-N 1 0 349.413 -2.427 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127087969 785844046 /nfs/dbraw/zinc/84/40/46/785844046.db2.gz HVLYSKCKDGZBEW-UHFFFAOYSA-N 1 0 335.386 -2.817 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127087973 785845192 /nfs/dbraw/zinc/84/51/92/785845192.db2.gz HYPCEZUUIHEPJT-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127087974 785844111 /nfs/dbraw/zinc/84/41/11/785844111.db2.gz HYPCEZUUIHEPJT-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001127087976 785844187 /nfs/dbraw/zinc/84/41/87/785844187.db2.gz HZWJHRUUMKPWFU-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001127087977 785845449 /nfs/dbraw/zinc/84/54/49/785845449.db2.gz HZWJHRUUMKPWFU-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127088003 785844542 /nfs/dbraw/zinc/84/45/42/785844542.db2.gz JFCSBIGVBHPUFA-UHFFFAOYSA-N 1 0 338.430 -2.216 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001127088010 785843999 /nfs/dbraw/zinc/84/39/99/785843999.db2.gz JOUPWLKQRLKTLR-UHFFFAOYSA-N 1 0 334.442 -1.452 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001127088012 785845264 /nfs/dbraw/zinc/84/52/64/785845264.db2.gz JULISUMQFSWSJS-UHFFFAOYSA-N 1 0 348.347 -1.690 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127088051 785845600 /nfs/dbraw/zinc/84/56/00/785845600.db2.gz LSNPIMXWNAIHPX-MRVPVSSYSA-N 1 0 337.402 -2.524 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127088052 785844659 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ZINC001127442365 786029150 /nfs/dbraw/zinc/02/91/50/786029150.db2.gz BNOAWRJDDHLNFD-UHFFFAOYSA-N 1 0 326.361 -1.997 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cn2ncnn2)CC1 ZINC001127442393 786029665 /nfs/dbraw/zinc/02/96/65/786029665.db2.gz CWDJBECXPATIRD-UHFFFAOYSA-N 1 0 338.372 -2.930 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127442400 786029837 /nfs/dbraw/zinc/02/98/37/786029837.db2.gz DBPNRDFBTWPCEH-UHFFFAOYSA-N 1 0 334.402 -2.170 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2ncnn2)C[C@@H](C)O1 ZINC001127442414 786029892 /nfs/dbraw/zinc/02/98/92/786029892.db2.gz DLOLXSRPMFJOPZ-GHMZBOCLSA-N 1 0 325.373 -1.985 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2ncnn2)C[C@H](C)O1 ZINC001127442415 786030007 /nfs/dbraw/zinc/03/00/07/786030007.db2.gz DLOLXSRPMFJOPZ-PHIMTYICSA-N 1 0 325.373 -1.985 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2ncnn2)C[C@H](C)O1 ZINC001127442416 786029984 /nfs/dbraw/zinc/02/99/84/786029984.db2.gz DLOLXSRPMFJOPZ-QWRGUYRKSA-N 1 0 325.373 -1.985 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001127442526 786030031 /nfs/dbraw/zinc/03/00/31/786030031.db2.gz DSVLYXOZVSCBCN-SECBINFHSA-N 1 0 325.329 -3.111 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001127442527 786029660 /nfs/dbraw/zinc/02/96/60/786029660.db2.gz DSVLYXOZVSCBCN-VIFPVBQESA-N 1 0 325.329 -3.111 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC001127442533 786029732 /nfs/dbraw/zinc/02/97/32/786029732.db2.gz DYYVXFPRZDFPKV-UHFFFAOYSA-N 1 0 338.393 -1.147 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)n1 ZINC001127442566 786029921 /nfs/dbraw/zinc/02/99/21/786029921.db2.gz GSDVTFLPZICMBO-JTQLQIEISA-N 1 0 333.356 -2.082 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)n1 ZINC001127442567 786029725 /nfs/dbraw/zinc/02/97/25/786029725.db2.gz GSDVTFLPZICMBO-SNVBAGLBSA-N 1 0 333.356 -2.082 20 0 EAADRO CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127442576 786029640 /nfs/dbraw/zinc/02/96/40/786029640.db2.gz GYUOGWWVVXXZHT-UHFFFAOYSA-N 1 0 335.372 -1.376 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)n(C)n1 ZINC001127442577 786029567 /nfs/dbraw/zinc/02/95/67/786029567.db2.gz GZAIQZSYLGHXFK-LLVKDONJSA-N 1 0 347.383 -1.774 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)n(C)n1 ZINC001127442578 786030001 /nfs/dbraw/zinc/03/00/01/786030001.db2.gz GZAIQZSYLGHXFK-NSHDSACASA-N 1 0 347.383 -1.774 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001127442581 786029823 /nfs/dbraw/zinc/02/98/23/786029823.db2.gz HBHGQXLZNLXKBN-MRVPVSSYSA-N 1 0 335.290 -1.458 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001127442582 786029526 /nfs/dbraw/zinc/02/95/26/786029526.db2.gz HBHGQXLZNLXKBN-QMMMGPOBSA-N 1 0 335.290 -1.458 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)n1 ZINC001127442591 786029854 /nfs/dbraw/zinc/02/98/54/786029854.db2.gz HOOLVBZHBVYPDL-LLVKDONJSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)n1 ZINC001127442592 786029609 /nfs/dbraw/zinc/02/96/09/786029609.db2.gz HOOLVBZHBVYPDL-NSHDSACASA-N 1 0 347.383 -1.692 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001127442864 786029909 /nfs/dbraw/zinc/02/99/09/786029909.db2.gz KRHJOOAERUKFSM-LLVKDONJSA-N 1 0 328.373 -2.065 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001127442865 786029787 /nfs/dbraw/zinc/02/97/87/786029787.db2.gz KRHJOOAERUKFSM-NSHDSACASA-N 1 0 328.373 -2.065 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ncnn1)NCCc1ccccc1 ZINC001127442867 786029995 /nfs/dbraw/zinc/02/99/95/786029995.db2.gz KUDAVSYMSLAQED-UHFFFAOYSA-N 1 0 331.380 -1.262 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)cn1 ZINC001127442875 786029953 /nfs/dbraw/zinc/02/99/53/786029953.db2.gz LCIWPOKHIQEULY-GFCCVEGCSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)cn1 ZINC001127442876 786029534 /nfs/dbraw/zinc/02/95/34/786029534.db2.gz LCIWPOKHIQEULY-LBPRGKRZSA-N 1 0 347.383 -1.692 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127442892 786029862 /nfs/dbraw/zinc/02/98/62/786029862.db2.gz LTPPUSOHRDAVPS-UHFFFAOYSA-N 1 0 326.361 -2.139 20 0 EAADRO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)Cn2ncnn2)cc1 ZINC001127442910 786029767 /nfs/dbraw/zinc/02/97/67/786029767.db2.gz MIUKDTMKJBVFDG-UHFFFAOYSA-N 1 0 347.379 -1.296 20 0 EAADRO COc1cccc(CNC(=O)C[NH2+]CCNC(=O)Cn2ncnn2)c1 ZINC001127443141 786029713 /nfs/dbraw/zinc/02/97/13/786029713.db2.gz NXTKNMZDACTKAC-UHFFFAOYSA-N 1 0 347.379 -1.296 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cn2ncnn2)CC1 ZINC001127443175 786029493 /nfs/dbraw/zinc/02/94/93/786029493.db2.gz OYDPQYMXHPKWGC-UHFFFAOYSA-N 1 0 338.372 -2.897 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ncnn1)NCCc1cccs1 ZINC001127443178 786029551 /nfs/dbraw/zinc/02/95/51/786029551.db2.gz PEWAMKJCYKBZIX-UHFFFAOYSA-N 1 0 337.409 -1.201 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ncnn1)NCCc1ccsc1 ZINC001127443214 786029817 /nfs/dbraw/zinc/02/98/17/786029817.db2.gz QPCDLANMUBHNRU-UHFFFAOYSA-N 1 0 337.409 -1.201 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]CC(=O)N1CCc2ccccc21 ZINC001127443340 786030033 /nfs/dbraw/zinc/03/00/33/786030033.db2.gz RNJLISXRVFKJKX-UHFFFAOYSA-N 1 0 329.364 -1.032 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@H](O)COCc1ccccc1 ZINC001127443371 786029544 /nfs/dbraw/zinc/02/95/44/786029544.db2.gz SPPXLEXQSVFKDY-AWEZNQCLSA-N 1 0 334.380 -1.043 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001127443372 786029993 /nfs/dbraw/zinc/02/99/93/786029993.db2.gz SPPXLEXQSVFKDY-CQSZACIVSA-N 1 0 334.380 -1.043 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ncnn1)NCCOc1ccccc1 ZINC001127443547 786029615 /nfs/dbraw/zinc/02/96/15/786029615.db2.gz WFBBESIVIWHUNV-UHFFFAOYSA-N 1 0 347.379 -1.426 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001127443556 786029869 /nfs/dbraw/zinc/02/98/69/786029869.db2.gz WSFAPEWIYKUNSB-GFCCVEGCSA-N 1 0 338.343 -1.042 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001127443557 786029928 /nfs/dbraw/zinc/02/99/28/786029928.db2.gz WSFAPEWIYKUNSB-LBPRGKRZSA-N 1 0 338.343 -1.042 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)cn1 ZINC001127443562 786030013 /nfs/dbraw/zinc/03/00/13/786030013.db2.gz WTUYPRSRPBBJKP-LLVKDONJSA-N 1 0 333.356 -2.082 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)Cn3ncnn3)C2=O)cn1 ZINC001127443563 786029932 /nfs/dbraw/zinc/02/99/32/786029932.db2.gz WTUYPRSRPBBJKP-NSHDSACASA-N 1 0 333.356 -2.082 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127443564 786029976 /nfs/dbraw/zinc/02/99/76/786029976.db2.gz WUBVWRQVFDCDBW-UHFFFAOYSA-N 1 0 335.372 -2.229 20 0 EAADRO Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)Cn2ncnn2)o1 ZINC001127443591 786029971 /nfs/dbraw/zinc/02/99/71/786029971.db2.gz XXXZASPSPVOJGS-UHFFFAOYSA-N 1 0 335.368 -1.061 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ncnn1)NCc1ccccc1F ZINC001127443602 786029669 /nfs/dbraw/zinc/02/96/69/786029669.db2.gz YHNNQSONTWEVBR-UHFFFAOYSA-N 1 0 335.343 -1.166 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127443609 786029633 /nfs/dbraw/zinc/02/96/33/786029633.db2.gz YZMSDYBWSGCMDM-UHFFFAOYSA-N 1 0 349.417 -2.665 20 0 EAADRO COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127443623 786030027 /nfs/dbraw/zinc/03/00/27/786030027.db2.gz ZUCGVVRMLISABK-UHFFFAOYSA-N 1 0 347.379 -1.296 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449078 786029913 /nfs/dbraw/zinc/02/99/13/786029913.db2.gz AJTMDMASQMKNNT-UHFFFAOYSA-N 1 0 341.416 -1.442 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449131 786029558 /nfs/dbraw/zinc/02/95/58/786029558.db2.gz BVRWPUOXCZPNHV-JTQLQIEISA-N 1 0 340.388 -1.751 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449132 786029575 /nfs/dbraw/zinc/02/95/75/786029575.db2.gz BVRWPUOXCZPNHV-SNVBAGLBSA-N 1 0 340.388 -1.751 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@@H](O)COc1ccccc1F ZINC001127449139 786029720 /nfs/dbraw/zinc/02/97/20/786029720.db2.gz CAPYIQNGKBVJNK-LLVKDONJSA-N 1 0 338.343 -1.042 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]C[C@H](O)COc1ccccc1F ZINC001127449140 786029808 /nfs/dbraw/zinc/02/98/08/786029808.db2.gz CAPYIQNGKBVJNK-NSHDSACASA-N 1 0 338.343 -1.042 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449147 786029589 /nfs/dbraw/zinc/02/95/89/786029589.db2.gz CFQWDDYEXMLVJD-SECBINFHSA-N 1 0 326.361 -1.998 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449148 786029944 /nfs/dbraw/zinc/02/99/44/786029944.db2.gz CFQWDDYEXMLVJD-VIFPVBQESA-N 1 0 326.361 -1.998 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449155 786029693 /nfs/dbraw/zinc/02/96/93/786029693.db2.gz CLBYBOBZDTWQDQ-UHFFFAOYSA-N 1 0 340.388 -2.637 20 0 EAADRO O=C(Cn1ncnn1)NCC[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC001127449288 786029649 /nfs/dbraw/zinc/02/96/49/786029649.db2.gz FDCKCOZOWDXCPB-UHFFFAOYSA-N 1 0 343.391 -1.036 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449315 786029656 /nfs/dbraw/zinc/02/96/56/786029656.db2.gz 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786029805 /nfs/dbraw/zinc/02/98/05/786029805.db2.gz JFBIMFZNMHCIJK-UHFFFAOYSA-N 1 0 338.372 -1.901 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1ncnn1)C(=O)NC[C@H]1CCCO1 ZINC001127449499 786029752 /nfs/dbraw/zinc/02/97/52/786029752.db2.gz KCDMWTKALULMAU-GHMZBOCLSA-N 1 0 325.373 -1.937 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1ncnn1)C(=O)NC[C@@H]1CCCO1 ZINC001127449500 786029959 /nfs/dbraw/zinc/02/99/59/786029959.db2.gz KCDMWTKALULMAU-MNOVXSKESA-N 1 0 325.373 -1.937 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1ncnn1)C(=O)NC[C@@H]1CCCO1 ZINC001127449501 786029939 /nfs/dbraw/zinc/02/99/39/786029939.db2.gz KCDMWTKALULMAU-QWRGUYRKSA-N 1 0 325.373 -1.937 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1ncnn1)C(=O)NC[C@H]1CCCO1 ZINC001127449502 786030036 /nfs/dbraw/zinc/03/00/36/786030036.db2.gz KCDMWTKALULMAU-WDEREUQCSA-N 1 0 325.373 -1.937 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449517 786029773 /nfs/dbraw/zinc/02/97/73/786029773.db2.gz KTBVTNWRTAYSJM-UHFFFAOYSA-N 1 0 335.372 -1.632 20 0 EAADRO 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342.396 -1.411 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@]12C[C@H]1COC2)NCC(=O)N1CCCC1 ZINC001127760956 786072018 /nfs/dbraw/zinc/07/20/18/786072018.db2.gz VYLRBQLSDJJALN-LRDDRELGSA-N 1 0 338.408 -1.533 20 0 EAADRO CC(C)(C)n1nnc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001127764812 786072169 /nfs/dbraw/zinc/07/21/69/786072169.db2.gz CMNZNDSZLGBYDC-UHFFFAOYSA-N 1 0 333.418 -1.703 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127764834 786071061 /nfs/dbraw/zinc/07/10/61/786071061.db2.gz DAAFHUOSVNSXCJ-LLVKDONJSA-N 1 0 344.416 -1.229 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127764835 786071850 /nfs/dbraw/zinc/07/18/50/786071850.db2.gz DAAFHUOSVNSXCJ-NSHDSACASA-N 1 0 344.416 -1.229 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127764845 786072068 /nfs/dbraw/zinc/07/20/68/786072068.db2.gz DDXNYJDDWOVGME-UHFFFAOYSA-N 1 0 341.416 -1.100 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127764847 786071926 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CC(C)(C)n1nnc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)n1 ZINC001127765923 786071819 /nfs/dbraw/zinc/07/18/19/786071819.db2.gz PGSDIMWNYCVSMU-UHFFFAOYSA-N 1 0 339.400 -1.394 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1)S(C)(=O)=O ZINC001127765936 786071400 /nfs/dbraw/zinc/07/14/00/786071400.db2.gz PTOZLFPKGKOEMD-UHFFFAOYSA-N 1 0 347.445 -1.361 20 0 EAADRO CN1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]n1 ZINC001127771978 786073161 /nfs/dbraw/zinc/07/31/61/786073161.db2.gz BEUODZWLRFNFGG-LLVKDONJSA-N 1 0 337.384 -1.309 20 0 EAADRO CN1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]n1 ZINC001127771980 786072439 /nfs/dbraw/zinc/07/24/39/786072439.db2.gz BEUODZWLRFNFGG-NSHDSACASA-N 1 0 337.384 -1.309 20 0 EAADRO CC(C)(C)n1nnc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001127772371 786071224 /nfs/dbraw/zinc/07/12/24/786071224.db2.gz GKVRHDXRLASKDW-UHFFFAOYSA-N 1 0 337.384 -1.104 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1)C(=O)NC(N)=O ZINC001127773066 786072742 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CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cncc2[nH]cnc21 ZINC001127804774 786077754 /nfs/dbraw/zinc/07/77/54/786077754.db2.gz AVMPKLRIWOURBU-UHFFFAOYSA-N 1 0 326.382 -1.174 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cncc2[nH]cnc21 ZINC001127804809 786076813 /nfs/dbraw/zinc/07/68/13/786076813.db2.gz BUKHRLHVAMMPQJ-UHFFFAOYSA-N 1 0 331.336 -1.171 20 0 EAADRO CC(=O)NCC(=O)NCc1cccc(N2CC[C@@H]([NH2+]CC(N)=O)C2)n1 ZINC001127807800 786077572 /nfs/dbraw/zinc/07/75/72/786077572.db2.gz IRMUTRZHCUOUBM-CYBMUJFWSA-N 1 0 348.407 -1.513 20 0 EAADRO CC(=O)NCC(=O)NCc1cccc(N2CC[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001127807801 786077593 /nfs/dbraw/zinc/07/75/93/786077593.db2.gz IRMUTRZHCUOUBM-ZDUSSCGKSA-N 1 0 348.407 -1.513 20 0 EAADRO CC(=O)NCC(=O)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001127808658 786077969 /nfs/dbraw/zinc/07/79/69/786077969.db2.gz RNXCZKPGUOCXJW-AWEZNQCLSA-N 1 0 335.408 -1.006 20 0 EAADRO CC(=O)NCC(=O)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001127808659 786077251 /nfs/dbraw/zinc/07/72/51/786077251.db2.gz RNXCZKPGUOCXJW-CQSZACIVSA-N 1 0 335.408 -1.006 20 0 EAADRO O=C(Cn1cnnn1)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001127812736 786076801 /nfs/dbraw/zinc/07/68/01/786076801.db2.gz DBBIZOOWGLBUSX-CYBMUJFWSA-N 1 0 346.395 -1.455 20 0 EAADRO O=C(Cn1cnnn1)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001127812738 786077877 /nfs/dbraw/zinc/07/78/77/786077877.db2.gz DBBIZOOWGLBUSX-ZDUSSCGKSA-N 1 0 346.395 -1.455 20 0 EAADRO NC(=O)NCC(=O)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001127813804 786077290 /nfs/dbraw/zinc/07/72/90/786077290.db2.gz LNLDOVVQDMXQSX-GFCCVEGCSA-N 1 0 336.396 -1.473 20 0 EAADRO NC(=O)NCC(=O)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001127813805 786077776 /nfs/dbraw/zinc/07/77/76/786077776.db2.gz LNLDOVVQDMXQSX-LBPRGKRZSA-N 1 0 336.396 -1.473 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)CNC(N)=O)n2)C1 ZINC001127814496 786077844 /nfs/dbraw/zinc/07/78/44/786077844.db2.gz SBCXXPMFWZNALO-LLVKDONJSA-N 1 0 349.395 -1.980 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)CNC(N)=O)n2)C1 ZINC001127814497 786077077 /nfs/dbraw/zinc/07/70/77/786077077.db2.gz SBCXXPMFWZNALO-NSHDSACASA-N 1 0 349.395 -1.980 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1)C(N)=O ZINC001127826306 786078235 /nfs/dbraw/zinc/07/82/35/786078235.db2.gz FMOTVXKJCSUDCQ-CMPLNLGQSA-N 1 0 348.407 -1.385 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1)C(N)=O ZINC001127826307 786079289 /nfs/dbraw/zinc/07/92/89/786079289.db2.gz FMOTVXKJCSUDCQ-JQWIXIFHSA-N 1 0 348.407 -1.385 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1)C(N)=O ZINC001127826309 786078595 /nfs/dbraw/zinc/07/85/95/786078595.db2.gz FMOTVXKJCSUDCQ-PWSUYJOCSA-N 1 0 348.407 -1.385 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1)C(N)=O ZINC001127826311 786078219 /nfs/dbraw/zinc/07/82/19/786078219.db2.gz FMOTVXKJCSUDCQ-ZYHUDNBSSA-N 1 0 348.407 -1.385 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 ZINC001127826865 786078891 /nfs/dbraw/zinc/07/88/91/786078891.db2.gz LBIBWKUEPFJPIN-GFCCVEGCSA-N 1 0 348.407 -1.513 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 ZINC001127826867 786078916 /nfs/dbraw/zinc/07/89/16/786078916.db2.gz LBIBWKUEPFJPIN-LBPRGKRZSA-N 1 0 348.407 -1.513 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 ZINC001127827348 786079305 /nfs/dbraw/zinc/07/93/05/786079305.db2.gz ORHUFLDVQJMISJ-LLVKDONJSA-N 1 0 334.380 -1.773 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 ZINC001127827349 786078759 /nfs/dbraw/zinc/07/87/59/786078759.db2.gz ORHUFLDVQJMISJ-NSHDSACASA-N 1 0 334.380 -1.773 20 0 EAADRO CNC(=O)CC(=O)NCc1cccc(N2CC[C@@H]([NH2+]CC(N)=O)C2)n1 ZINC001127832064 786080522 /nfs/dbraw/zinc/08/05/22/786080522.db2.gz FOABBXGVROSBJE-GFCCVEGCSA-N 1 0 348.407 -1.513 20 0 EAADRO CNC(=O)CC(=O)NCc1cccc(N2CC[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001127832066 786079958 /nfs/dbraw/zinc/07/99/58/786079958.db2.gz FOABBXGVROSBJE-LBPRGKRZSA-N 1 0 348.407 -1.513 20 0 EAADRO CNC(=O)CC(=O)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001127832960 786080204 /nfs/dbraw/zinc/08/02/04/786080204.db2.gz UFLMBSPKGPWZSP-CYBMUJFWSA-N 1 0 335.408 -1.006 20 0 EAADRO CNC(=O)CC(=O)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001127832961 786080033 /nfs/dbraw/zinc/08/00/33/786080033.db2.gz UFLMBSPKGPWZSP-ZDUSSCGKSA-N 1 0 335.408 -1.006 20 0 EAADRO O=C(Cn1ncnn1)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001127839440 786085274 /nfs/dbraw/zinc/08/52/74/786085274.db2.gz PLQVMIDIFCSCAJ-CYBMUJFWSA-N 1 0 346.395 -1.455 20 0 EAADRO O=C(Cn1ncnn1)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001127839441 786085111 /nfs/dbraw/zinc/08/51/11/786085111.db2.gz PLQVMIDIFCSCAJ-ZDUSSCGKSA-N 1 0 346.395 -1.455 20 0 EAADRO NC(=O)C(=O)NCc1cccc(N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001127845076 786086989 /nfs/dbraw/zinc/08/69/89/786086989.db2.gz AXIFXAIIBCKGNP-NEPJUHHUSA-N 1 0 346.391 -1.760 20 0 EAADRO NC(=O)C(=O)NCc1cccc(N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001127845077 786087006 /nfs/dbraw/zinc/08/70/06/786087006.db2.gz AXIFXAIIBCKGNP-NWDGAFQWSA-N 1 0 346.391 -1.760 20 0 EAADRO NC(=O)C(=O)NCc1cccc(N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001127845078 786086360 /nfs/dbraw/zinc/08/63/60/786086360.db2.gz AXIFXAIIBCKGNP-RYUDHWBXSA-N 1 0 346.391 -1.760 20 0 EAADRO NC(=O)C(=O)NCc1cccc(N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001127845079 786086467 /nfs/dbraw/zinc/08/64/67/786086467.db2.gz AXIFXAIIBCKGNP-VXGBXAGGSA-N 1 0 346.391 -1.760 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127845108 786086512 /nfs/dbraw/zinc/08/65/12/786086512.db2.gz BZTZQDQPRHHJMO-GFCCVEGCSA-N 1 0 348.407 -1.513 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127845109 786086862 /nfs/dbraw/zinc/08/68/62/786086862.db2.gz BZTZQDQPRHHJMO-LBPRGKRZSA-N 1 0 348.407 -1.513 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127845198 786086293 /nfs/dbraw/zinc/08/62/93/786086293.db2.gz DTTROPISOPUCRS-CMPLNLGQSA-N 1 0 348.407 -1.514 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127845199 786086191 /nfs/dbraw/zinc/08/61/91/786086191.db2.gz DTTROPISOPUCRS-JQWIXIFHSA-N 1 0 348.407 -1.514 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127845200 786087721 /nfs/dbraw/zinc/08/77/21/786087721.db2.gz DTTROPISOPUCRS-PWSUYJOCSA-N 1 0 348.407 -1.514 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127845201 786088264 /nfs/dbraw/zinc/08/82/64/786088264.db2.gz DTTROPISOPUCRS-ZYHUDNBSSA-N 1 0 348.407 -1.514 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127845990 786088162 /nfs/dbraw/zinc/08/81/62/786088162.db2.gz NXUPKIDLTPVVJU-GXSJLCMTSA-N 1 0 334.380 -1.775 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127845991 786087640 /nfs/dbraw/zinc/08/76/40/786087640.db2.gz NXUPKIDLTPVVJU-KOLCDFICSA-N 1 0 334.380 -1.775 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127845992 786087373 /nfs/dbraw/zinc/08/73/73/786087373.db2.gz NXUPKIDLTPVVJU-MWLCHTKSSA-N 1 0 334.380 -1.775 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127845993 786088175 /nfs/dbraw/zinc/08/81/75/786088175.db2.gz NXUPKIDLTPVVJU-ONGXEEELSA-N 1 0 334.380 -1.775 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127846244 786087881 /nfs/dbraw/zinc/08/78/81/786087881.db2.gz RLPGOBHCDZJQLT-LLVKDONJSA-N 1 0 334.380 -1.903 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127846245 786087627 /nfs/dbraw/zinc/08/76/27/786087627.db2.gz RLPGOBHCDZJQLT-NSHDSACASA-N 1 0 334.380 -1.903 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127846262 786088193 /nfs/dbraw/zinc/08/81/93/786088193.db2.gz RUOLNPNIMZDIBH-GFCCVEGCSA-N 1 0 348.407 -1.560 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 ZINC001127846263 786088107 /nfs/dbraw/zinc/08/81/07/786088107.db2.gz RUOLNPNIMZDIBH-LBPRGKRZSA-N 1 0 348.407 -1.560 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127846264 786087539 /nfs/dbraw/zinc/08/75/39/786087539.db2.gz RUZWJAVEJAWWSH-NEPJUHHUSA-N 1 0 348.407 -1.385 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127846265 786088327 /nfs/dbraw/zinc/08/83/27/786088327.db2.gz RUZWJAVEJAWWSH-NWDGAFQWSA-N 1 0 348.407 -1.385 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127846266 786087704 /nfs/dbraw/zinc/08/77/04/786087704.db2.gz RUZWJAVEJAWWSH-RYUDHWBXSA-N 1 0 348.407 -1.385 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1)C(N)=O ZINC001127846267 786087794 /nfs/dbraw/zinc/08/77/94/786087794.db2.gz RUZWJAVEJAWWSH-VXGBXAGGSA-N 1 0 348.407 -1.385 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001127858364 786091442 /nfs/dbraw/zinc/09/14/42/786091442.db2.gz CQDFRGIIDDPBNB-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001127858369 786092091 /nfs/dbraw/zinc/09/20/91/786092091.db2.gz CQDFRGIIDDPBNB-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001127858442 786091913 /nfs/dbraw/zinc/09/19/13/786091913.db2.gz DTRFVQOYPNKNDQ-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001127858443 786091427 /nfs/dbraw/zinc/09/14/27/786091427.db2.gz DTRFVQOYPNKNDQ-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC)C1=O ZINC001127858444 786092283 /nfs/dbraw/zinc/09/22/83/786092283.db2.gz DTZWFUIFKIVKIH-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC)C1=O ZINC001127858445 786091970 /nfs/dbraw/zinc/09/19/70/786091970.db2.gz DTZWFUIFKIVKIH-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC)C1=O ZINC001127858447 786091618 /nfs/dbraw/zinc/09/16/18/786091618.db2.gz DTZWFUIFKIVKIH-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC)C1=O ZINC001127858449 786091407 /nfs/dbraw/zinc/09/14/07/786091407.db2.gz DTZWFUIFKIVKIH-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CC1(C(=O)NCC[NH2+]CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001127858482 786091755 /nfs/dbraw/zinc/09/17/55/786091755.db2.gz FJDWYACVWJQTLS-UHFFFAOYSA-N 1 0 346.453 -1.404 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001127858831 786091423 /nfs/dbraw/zinc/09/14/23/786091423.db2.gz HBACMDXBKMLEAS-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001127858835 786092445 /nfs/dbraw/zinc/09/24/45/786092445.db2.gz HBACMDXBKMLEAS-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001127858899 786092407 /nfs/dbraw/zinc/09/24/07/786092407.db2.gz HOAFNBSFURFYDT-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001127858901 786092432 /nfs/dbraw/zinc/09/24/32/786092432.db2.gz HOAFNBSFURFYDT-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCc1ccnn1C ZINC001127858947 786093736 /nfs/dbraw/zinc/09/37/36/786093736.db2.gz HZXQPXUSCFJQOE-LLVKDONJSA-N 1 0 331.442 -1.004 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCc1ccnn1C ZINC001127858950 786093742 /nfs/dbraw/zinc/09/37/42/786093742.db2.gz HZXQPXUSCFJQOE-NSHDSACASA-N 1 0 331.442 -1.004 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCOCCOC ZINC001127859389 786093679 /nfs/dbraw/zinc/09/36/79/786093679.db2.gz KFTOASFGXSVFMX-LLVKDONJSA-N 1 0 325.431 -1.317 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCOCCOC ZINC001127859392 786093241 /nfs/dbraw/zinc/09/32/41/786093241.db2.gz KFTOASFGXSVFMX-NSHDSACASA-N 1 0 325.431 -1.317 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127859398 786093269 /nfs/dbraw/zinc/09/32/69/786093269.db2.gz KHBAMBKDBDIUMR-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127859399 786093504 /nfs/dbraw/zinc/09/35/04/786093504.db2.gz KHBAMBKDBDIUMR-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001127859417 786092800 /nfs/dbraw/zinc/09/28/00/786092800.db2.gz KYEMOWZDYKFOJP-NEPJUHHUSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001127859418 786093652 /nfs/dbraw/zinc/09/36/52/786093652.db2.gz KYEMOWZDYKFOJP-NWDGAFQWSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001127859419 786093395 /nfs/dbraw/zinc/09/33/95/786093395.db2.gz KYEMOWZDYKFOJP-RYUDHWBXSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001127859420 786093710 /nfs/dbraw/zinc/09/37/10/786093710.db2.gz KYEMOWZDYKFOJP-VXGBXAGGSA-N 1 0 348.469 -1.064 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001127859934 786092635 /nfs/dbraw/zinc/09/26/35/786092635.db2.gz MIXRSUVKLIRUJV-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001127859935 786093438 /nfs/dbraw/zinc/09/34/38/786093438.db2.gz MIXRSUVKLIRUJV-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001127859998 786092955 /nfs/dbraw/zinc/09/29/55/786092955.db2.gz NJOCUOFDSSBQDU-JTQLQIEISA-N 1 0 332.430 -1.168 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001127860000 786093453 /nfs/dbraw/zinc/09/34/53/786093453.db2.gz NJOCUOFDSSBQDU-SNVBAGLBSA-N 1 0 332.430 -1.168 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001127860461 786092995 /nfs/dbraw/zinc/09/29/95/786092995.db2.gz NWSMTZIIRWPDRE-MRVPVSSYSA-N 1 0 337.402 -2.524 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001127860463 786093367 /nfs/dbraw/zinc/09/33/67/786093367.db2.gz NWSMTZIIRWPDRE-QMMMGPOBSA-N 1 0 337.402 -2.524 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001127860515 786094686 /nfs/dbraw/zinc/09/46/86/786094686.db2.gz PEKVJGHFYNPIFU-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001127860516 786094821 /nfs/dbraw/zinc/09/48/21/786094821.db2.gz PEKVJGHFYNPIFU-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001127860517 786094660 /nfs/dbraw/zinc/09/46/60/786094660.db2.gz PEKVJGHFYNPIFU-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001127860518 786094581 /nfs/dbraw/zinc/09/45/81/786094581.db2.gz PEKVJGHFYNPIFU-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001127860540 786094270 /nfs/dbraw/zinc/09/42/70/786094270.db2.gz QHICIGQPQCKGDV-LLVKDONJSA-N 1 0 344.437 -1.081 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001127860541 786093989 /nfs/dbraw/zinc/09/39/89/786093989.db2.gz QHICIGQPQCKGDV-NSHDSACASA-N 1 0 344.437 -1.081 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001127860549 786093901 /nfs/dbraw/zinc/09/39/01/786093901.db2.gz QODJLCBWUNFNTM-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001127860550 786094249 /nfs/dbraw/zinc/09/42/49/786094249.db2.gz QODJLCBWUNFNTM-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001127860570 786093926 /nfs/dbraw/zinc/09/39/26/786093926.db2.gz RAZYIJLKSKJSEW-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001127860571 786094237 /nfs/dbraw/zinc/09/42/37/786094237.db2.gz RAZYIJLKSKJSEW-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001127860878 786094969 /nfs/dbraw/zinc/09/49/69/786094969.db2.gz RDVCJXXNTFMDFJ-JTQLQIEISA-N 1 0 346.457 -1.071 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001127860879 786094216 /nfs/dbraw/zinc/09/42/16/786094216.db2.gz RDVCJXXNTFMDFJ-SNVBAGLBSA-N 1 0 346.457 -1.071 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127860893 786093874 /nfs/dbraw/zinc/09/38/74/786093874.db2.gz RMBVNHWXKXLKER-BDAKNGLRSA-N 1 0 334.398 -2.175 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127860894 786094442 /nfs/dbraw/zinc/09/44/42/786094442.db2.gz RMBVNHWXKXLKER-DTWKUNHWSA-N 1 0 334.398 -2.175 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127860895 786093968 /nfs/dbraw/zinc/09/39/68/786093968.db2.gz RMBVNHWXKXLKER-IUCAKERBSA-N 1 0 334.398 -2.175 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127860896 786094548 /nfs/dbraw/zinc/09/45/48/786094548.db2.gz RMBVNHWXKXLKER-RKDXNWHRSA-N 1 0 334.398 -2.175 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001127860947 786094497 /nfs/dbraw/zinc/09/44/97/786094497.db2.gz SXPTXTWZYLNVOV-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001127860948 786094849 /nfs/dbraw/zinc/09/48/49/786094849.db2.gz SXPTXTWZYLNVOV-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001127860949 786094872 /nfs/dbraw/zinc/09/48/72/786094872.db2.gz SXPTXTWZYLNVOV-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001127860950 786094789 /nfs/dbraw/zinc/09/47/89/786094789.db2.gz SXPTXTWZYLNVOV-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001127860965 786094017 /nfs/dbraw/zinc/09/40/17/786094017.db2.gz UARVHBZCPZUHCC-LLVKDONJSA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001127860966 786094537 /nfs/dbraw/zinc/09/45/37/786094537.db2.gz UARVHBZCPZUHCC-NSHDSACASA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001127861218 786094976 /nfs/dbraw/zinc/09/49/76/786094976.db2.gz VIOFEDDLVKSTAS-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001127861219 786094484 /nfs/dbraw/zinc/09/44/84/786094484.db2.gz VIOFEDDLVKSTAS-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001127861245 786092967 /nfs/dbraw/zinc/09/29/67/786092967.db2.gz WAPNEJQYNLIJIQ-LLVKDONJSA-N 1 0 331.442 -1.004 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001127861246 786092652 /nfs/dbraw/zinc/09/26/52/786092652.db2.gz WAPNEJQYNLIJIQ-NSHDSACASA-N 1 0 331.442 -1.004 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001127861274 786094948 /nfs/dbraw/zinc/09/49/48/786094948.db2.gz WUBAUFYPRWDXTJ-SECBINFHSA-N 1 0 329.444 -1.935 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001127861275 786094101 /nfs/dbraw/zinc/09/41/01/786094101.db2.gz WUBAUFYPRWDXTJ-VIFPVBQESA-N 1 0 329.444 -1.935 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001127861709 786095989 /nfs/dbraw/zinc/09/59/89/786095989.db2.gz XTJPJIPJXIEVBV-LLVKDONJSA-N 1 0 336.458 -1.208 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001127861710 786095612 /nfs/dbraw/zinc/09/56/12/786095612.db2.gz XTJPJIPJXIEVBV-NSHDSACASA-N 1 0 336.458 -1.208 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001127861730 786095721 /nfs/dbraw/zinc/09/57/21/786095721.db2.gz YIXYFDIEYLCMLY-JTQLQIEISA-N 1 0 335.430 -1.955 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001127861731 786095909 /nfs/dbraw/zinc/09/59/09/786095909.db2.gz YIXYFDIEYLCMLY-SNVBAGLBSA-N 1 0 335.430 -1.955 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001127861757 786095367 /nfs/dbraw/zinc/09/53/67/786095367.db2.gz YVHPFLKREISAHB-GHMZBOCLSA-N 1 0 344.441 -1.201 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001127861758 786095199 /nfs/dbraw/zinc/09/51/99/786095199.db2.gz YVHPFLKREISAHB-MNOVXSKESA-N 1 0 344.441 -1.201 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001127861759 786095253 /nfs/dbraw/zinc/09/52/53/786095253.db2.gz YVHPFLKREISAHB-QWRGUYRKSA-N 1 0 344.441 -1.201 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001127861760 786095713 /nfs/dbraw/zinc/09/57/13/786095713.db2.gz YVHPFLKREISAHB-WDEREUQCSA-N 1 0 344.441 -1.201 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001127861972 786094177 /nfs/dbraw/zinc/09/41/77/786094177.db2.gz ZUMCTEOYFLJDKO-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001127861973 786094722 /nfs/dbraw/zinc/09/47/22/786094722.db2.gz ZUMCTEOYFLJDKO-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001127861976 786094641 /nfs/dbraw/zinc/09/46/41/786094641.db2.gz ZZYLOFYWSBXNHI-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001127861977 786094027 /nfs/dbraw/zinc/09/40/27/786094027.db2.gz ZZYLOFYWSBXNHI-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H](Oc2cnccc2C[NH2+]CCO)C1 ZINC001127867589 786098413 /nfs/dbraw/zinc/09/84/13/786098413.db2.gz HSLDFVVYMAFBNM-ZDUSSCGKSA-N 1 0 347.379 -1.170 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H](Oc2cnccc2C[NH2+]CCO)C1 ZINC001127868071 786097715 /nfs/dbraw/zinc/09/77/15/786097715.db2.gz ZYSAJSDFVRKUGU-LBPRGKRZSA-N 1 0 337.380 -1.189 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001127875541 786098853 /nfs/dbraw/zinc/09/88/53/786098853.db2.gz JNUSBIVNXMDFLU-JTQLQIEISA-N 1 0 348.425 -1.831 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001127875542 786098782 /nfs/dbraw/zinc/09/87/82/786098782.db2.gz 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CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127875914 786098306 /nfs/dbraw/zinc/09/83/06/786098306.db2.gz QFWBJLJITPHCKR-JGVFFNPUSA-N 1 0 337.402 -2.397 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001127875915 786098929 /nfs/dbraw/zinc/09/89/29/786098929.db2.gz QFWBJLJITPHCKR-SFYZADRCSA-N 1 0 337.402 -2.397 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127875916 786098688 /nfs/dbraw/zinc/09/86/88/786098688.db2.gz QFWBJLJITPHCKR-YUMQZZPRSA-N 1 0 337.402 -2.397 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001127876069 786099073 /nfs/dbraw/zinc/09/90/73/786099073.db2.gz RYQUFQKDIDVQBH-NXEZZACHSA-N 1 0 334.442 -1.313 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001127876070 786098139 /nfs/dbraw/zinc/09/81/39/786098139.db2.gz RYQUFQKDIDVQBH-UWVGGRQHSA-N 1 0 334.442 -1.313 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001127876071 786098387 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CCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001127951990 786114234 /nfs/dbraw/zinc/11/42/34/786114234.db2.gz OVKFLNMHXBKZIP-MNOVXSKESA-N 1 0 342.396 -1.883 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001127951991 786114045 /nfs/dbraw/zinc/11/40/45/786114045.db2.gz OVKFLNMHXBKZIP-QWRGUYRKSA-N 1 0 342.396 -1.883 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001127951992 786114050 /nfs/dbraw/zinc/11/40/50/786114050.db2.gz OVKFLNMHXBKZIP-WDEREUQCSA-N 1 0 342.396 -1.883 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127951994 786114649 /nfs/dbraw/zinc/11/46/49/786114649.db2.gz PBBPKZSFKYFTRH-UHFFFAOYSA-N 1 0 340.380 -1.132 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001127952177 786114552 /nfs/dbraw/zinc/11/45/52/786114552.db2.gz SJKUFTBIHBBMRF-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001127952178 786114612 /nfs/dbraw/zinc/11/46/12/786114612.db2.gz SJKUFTBIHBBMRF-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127952181 786114581 /nfs/dbraw/zinc/11/45/81/786114581.db2.gz SLRZRPCSRQIPAA-CYBMUJFWSA-N 1 0 343.380 -1.261 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127952182 786114180 /nfs/dbraw/zinc/11/41/80/786114180.db2.gz SLRZRPCSRQIPAA-ZDUSSCGKSA-N 1 0 343.380 -1.261 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001127952200 786114386 /nfs/dbraw/zinc/11/43/86/786114386.db2.gz SZUNUJIBXIHOHD-NEPJUHHUSA-N 1 0 328.413 -1.240 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001127952201 786114243 /nfs/dbraw/zinc/11/42/43/786114243.db2.gz SZUNUJIBXIHOHD-NWDGAFQWSA-N 1 0 328.413 -1.240 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001127952202 786114330 /nfs/dbraw/zinc/11/43/30/786114330.db2.gz SZUNUJIBXIHOHD-RYUDHWBXSA-N 1 0 328.413 -1.240 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001127952203 786114207 /nfs/dbraw/zinc/11/42/07/786114207.db2.gz SZUNUJIBXIHOHD-VXGBXAGGSA-N 1 0 328.413 -1.240 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CNC(=O)c1ccoc1)S(C)(=O)=O ZINC001127952745 786114323 /nfs/dbraw/zinc/11/43/23/786114323.db2.gz ZAHFHOUDJIZGOP-UHFFFAOYSA-N 1 0 346.409 -1.393 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127956594 786114449 /nfs/dbraw/zinc/11/44/49/786114449.db2.gz AKSQGMBAMRPJCH-UHFFFAOYSA-N 1 0 332.382 -1.736 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)C1CCCC1 ZINC001127956612 786114277 /nfs/dbraw/zinc/11/42/77/786114277.db2.gz BFTBVNCZWAGXQM-UHFFFAOYSA-N 1 0 334.442 -1.452 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127956654 786114353 /nfs/dbraw/zinc/11/43/53/786114353.db2.gz CQSRJHNDBUPDDD-UHFFFAOYSA-N 1 0 346.409 -1.346 20 0 EAADRO O=C(CNC(=O)C1CCCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127956934 786114371 /nfs/dbraw/zinc/11/43/71/786114371.db2.gz QEKMTAOXGAEJCQ-UHFFFAOYSA-N 1 0 339.396 -1.450 20 0 EAADRO O=C(CNC(=O)c1ccoc1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127956939 786114158 /nfs/dbraw/zinc/11/41/58/786114158.db2.gz QRLOCVRGIOJPGH-UHFFFAOYSA-N 1 0 337.336 -1.733 20 0 EAADRO Cc1occc1C(=O)NCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127956979 786114336 /nfs/dbraw/zinc/11/43/36/786114336.db2.gz SMRSMSVJRIEFJT-UHFFFAOYSA-N 1 0 325.325 -1.781 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)C1CCCC1)C(=O)NC(N)=O ZINC001127957017 786114247 /nfs/dbraw/zinc/11/42/47/786114247.db2.gz VQSBIBHGBLPFCR-SECBINFHSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)C1CCCC1)C(=O)NC(N)=O ZINC001127957018 786113983 /nfs/dbraw/zinc/11/39/83/786113983.db2.gz VQSBIBHGBLPFCR-VIFPVBQESA-N 1 0 327.385 -1.418 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)C1CCCC1 ZINC001127957032 786114365 /nfs/dbraw/zinc/11/43/65/786114365.db2.gz WARMZHICVAJUSW-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)C1CCCC1 ZINC001127957033 786114377 /nfs/dbraw/zinc/11/43/77/786114377.db2.gz WARMZHICVAJUSW-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)c1ccoc1C ZINC001127957050 786114096 /nfs/dbraw/zinc/11/40/96/786114096.db2.gz XBLSNUCPEFUYKN-UHFFFAOYSA-N 1 0 339.352 -1.521 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)C1CCCC1 ZINC001127957103 786114617 /nfs/dbraw/zinc/11/46/17/786114617.db2.gz ZLDPXCMZLUSQRG-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127961162 786114135 /nfs/dbraw/zinc/11/41/35/786114135.db2.gz DHPTWYDKKIETCD-SECBINFHSA-N 1 0 339.352 -1.441 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127961163 786114671 /nfs/dbraw/zinc/11/46/71/786114671.db2.gz DHPTWYDKKIETCD-VIFPVBQESA-N 1 0 339.352 -1.441 20 0 EAADRO O=C(CNC(=O)c1ccoc1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001127961181 786114168 /nfs/dbraw/zinc/11/41/68/786114168.db2.gz DRZFWSBFMLSWCC-UHFFFAOYSA-N 1 0 336.348 -1.136 20 0 EAADRO Cc1occc1C(=O)NCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127961226 786114665 /nfs/dbraw/zinc/11/46/65/786114665.db2.gz FZFTVRXVUWKFBH-LLVKDONJSA-N 1 0 336.348 -1.171 20 0 EAADRO Cc1occc1C(=O)NCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127961230 786114055 /nfs/dbraw/zinc/11/40/55/786114055.db2.gz FZFTVRXVUWKFBH-NSHDSACASA-N 1 0 336.348 -1.171 20 0 EAADRO Cc1occc1C(=O)NCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001127961605 786114316 /nfs/dbraw/zinc/11/43/16/786114316.db2.gz KGJPJCSOVGYFMX-UHFFFAOYSA-N 1 0 346.409 -1.427 20 0 EAADRO Cc1occc1C(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001127962047 786114228 /nfs/dbraw/zinc/11/42/28/786114228.db2.gz MPRZBWJRSJCFDS-MRVPVSSYSA-N 1 0 339.352 -1.393 20 0 EAADRO Cc1occc1C(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127962048 786114300 /nfs/dbraw/zinc/11/43/00/786114300.db2.gz MPRZBWJRSJCFDS-QMMMGPOBSA-N 1 0 339.352 -1.393 20 0 EAADRO O=C(CNC(=O)c1ccoc1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001127962083 786114546 /nfs/dbraw/zinc/11/45/46/786114546.db2.gz NOOPJILXBIORCJ-CYBMUJFWSA-N 1 0 335.364 -1.027 20 0 EAADRO O=C(CNC(=O)c1ccoc1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001127962085 786114409 /nfs/dbraw/zinc/11/44/09/786114409.db2.gz NOOPJILXBIORCJ-ZDUSSCGKSA-N 1 0 335.364 -1.027 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)c1ccoc1)C(=O)NC(N)=O ZINC001127962515 786114147 /nfs/dbraw/zinc/11/41/47/786114147.db2.gz UAROPARXKCGADT-MRVPVSSYSA-N 1 0 325.325 -1.701 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)c1ccoc1)C(=O)NC(N)=O ZINC001127962517 786113893 /nfs/dbraw/zinc/11/38/93/786113893.db2.gz UAROPARXKCGADT-QMMMGPOBSA-N 1 0 325.325 -1.701 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001127966511 786115136 /nfs/dbraw/zinc/11/51/36/786115136.db2.gz AVBZAONROXMPIG-LLVKDONJSA-N 1 0 328.413 -1.240 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001127966513 786115524 /nfs/dbraw/zinc/11/55/24/786115524.db2.gz AVBZAONROXMPIG-NSHDSACASA-N 1 0 328.413 -1.240 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127966564 786115419 /nfs/dbraw/zinc/11/54/19/786115419.db2.gz BOODBJKCJZQENX-SECBINFHSA-N 1 0 331.373 -2.311 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127966565 786115715 /nfs/dbraw/zinc/11/57/15/786115715.db2.gz BOODBJKCJZQENX-VIFPVBQESA-N 1 0 331.373 -2.311 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001127966579 786115612 /nfs/dbraw/zinc/11/56/12/786115612.db2.gz BXOOLDYSGVZCNF-LLVKDONJSA-N 1 0 344.412 -1.862 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001127966580 786115287 /nfs/dbraw/zinc/11/52/87/786115287.db2.gz BXOOLDYSGVZCNF-NSHDSACASA-N 1 0 344.412 -1.862 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001127966646 786115506 /nfs/dbraw/zinc/11/55/06/786115506.db2.gz DAUIFVPKWYSMDS-JTQLQIEISA-N 1 0 341.368 -1.222 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001127966648 786115543 /nfs/dbraw/zinc/11/55/43/786115543.db2.gz DAUIFVPKWYSMDS-SNVBAGLBSA-N 1 0 341.368 -1.222 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1ccnc(OC)n1 ZINC001127966656 786115515 /nfs/dbraw/zinc/11/55/15/786115515.db2.gz DESXSEQJEBBJIX-JTQLQIEISA-N 1 0 325.369 -1.158 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ccnc(OC)n1 ZINC001127966657 786115027 /nfs/dbraw/zinc/11/50/27/786115027.db2.gz DESXSEQJEBBJIX-SNVBAGLBSA-N 1 0 325.369 -1.158 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001127966696 786115678 /nfs/dbraw/zinc/11/56/78/786115678.db2.gz DZEUMELWCMXNHA-SECBINFHSA-N 1 0 343.409 -1.062 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001127966699 786115242 /nfs/dbraw/zinc/11/52/42/786115242.db2.gz DZEUMELWCMXNHA-VIFPVBQESA-N 1 0 343.409 -1.062 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)nn1 ZINC001127966924 786115698 /nfs/dbraw/zinc/11/56/98/786115698.db2.gz HOPWIZKDKUGBEU-JTQLQIEISA-N 1 0 325.369 -1.158 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)nn1 ZINC001127966926 786115102 /nfs/dbraw/zinc/11/51/02/786115102.db2.gz HOPWIZKDKUGBEU-SNVBAGLBSA-N 1 0 325.369 -1.158 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001127967247 786115619 /nfs/dbraw/zinc/11/56/19/786115619.db2.gz KSWXTFMJFLJJKS-JTQLQIEISA-N 1 0 338.368 -1.728 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001127967248 786115128 /nfs/dbraw/zinc/11/51/28/786115128.db2.gz KSWXTFMJFLJJKS-SNVBAGLBSA-N 1 0 338.368 -1.728 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127967255 786115652 /nfs/dbraw/zinc/11/56/52/786115652.db2.gz KZEFVCYXQOLRPP-NXEZZACHSA-N 1 0 345.400 -1.923 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127967256 786115015 /nfs/dbraw/zinc/11/50/15/786115015.db2.gz KZEFVCYXQOLRPP-UWVGGRQHSA-N 1 0 345.400 -1.923 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127967257 786115391 /nfs/dbraw/zinc/11/53/91/786115391.db2.gz KZEFVCYXQOLRPP-VHSXEESVSA-N 1 0 345.400 -1.923 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127967258 786115450 /nfs/dbraw/zinc/11/54/50/786115450.db2.gz KZEFVCYXQOLRPP-ZJUUUORDSA-N 1 0 345.400 -1.923 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127967282 786115224 /nfs/dbraw/zinc/11/52/24/786115224.db2.gz LOHHEWITIQDOFV-LLVKDONJSA-N 1 0 326.401 -1.037 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127967285 786115048 /nfs/dbraw/zinc/11/50/48/786115048.db2.gz LOHHEWITIQDOFV-NSHDSACASA-N 1 0 326.401 -1.037 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001127967539 786115365 /nfs/dbraw/zinc/11/53/65/786115365.db2.gz MHDPPRHXPLRVEV-LLVKDONJSA-N 1 0 328.413 -1.288 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001127967540 786115095 /nfs/dbraw/zinc/11/50/95/786115095.db2.gz MHDPPRHXPLRVEV-NSHDSACASA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@H](NC(=O)CC(F)(F)F)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127967602 786115532 /nfs/dbraw/zinc/11/55/32/786115532.db2.gz NVWQAXPOUZXBPP-LURJTMIESA-N 1 0 341.290 -1.656 20 0 EAADRO C[C@@H](NC(=O)CC(F)(F)F)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127967603 786115259 /nfs/dbraw/zinc/11/52/59/786115259.db2.gz NVWQAXPOUZXBPP-ZCFIWIBFSA-N 1 0 341.290 -1.656 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127967608 786115193 /nfs/dbraw/zinc/11/51/93/786115193.db2.gz OBEWJQAJQCGDPB-LLVKDONJSA-N 1 0 332.401 -2.004 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127967609 786115594 /nfs/dbraw/zinc/11/55/94/786115594.db2.gz OBEWJQAJQCGDPB-NSHDSACASA-N 1 0 332.401 -2.004 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127968047 786114219 /nfs/dbraw/zinc/11/42/19/786114219.db2.gz UFJCGUPATIACOV-LLVKDONJSA-N 1 0 330.385 -2.298 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127968052 786114294 /nfs/dbraw/zinc/11/42/94/786114294.db2.gz UFJCGUPATIACOV-NSHDSACASA-N 1 0 330.385 -2.298 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001127968179 786113878 /nfs/dbraw/zinc/11/38/78/786113878.db2.gz VQSLSKKMIMBOPH-MRVPVSSYSA-N 1 0 342.318 -1.478 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001127968180 786114217 /nfs/dbraw/zinc/11/42/17/786114217.db2.gz VQSLSKKMIMBOPH-QMMMGPOBSA-N 1 0 342.318 -1.478 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001127968181 786113827 /nfs/dbraw/zinc/11/38/27/786113827.db2.gz VUSHQEPWSZRXGM-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001127968182 786114215 /nfs/dbraw/zinc/11/42/15/786114215.db2.gz VUSHQEPWSZRXGM-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127968309 786115382 /nfs/dbraw/zinc/11/53/82/786115382.db2.gz YSSHQAABXZSOKC-JTQLQIEISA-N 1 0 345.400 -1.921 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127968310 786115089 /nfs/dbraw/zinc/11/50/89/786115089.db2.gz YSSHQAABXZSOKC-SNVBAGLBSA-N 1 0 345.400 -1.921 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127972604 786116486 /nfs/dbraw/zinc/11/64/86/786116486.db2.gz ADENLHMBQJLOAZ-JTQLQIEISA-N 1 0 343.384 -3.198 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127972607 786116295 /nfs/dbraw/zinc/11/62/95/786116295.db2.gz ADENLHMBQJLOAZ-SNVBAGLBSA-N 1 0 343.384 -3.198 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001127972669 786116210 /nfs/dbraw/zinc/11/62/10/786116210.db2.gz BJMJZPDKAPKTPT-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001127972670 786116802 /nfs/dbraw/zinc/11/68/02/786116802.db2.gz BJMJZPDKAPKTPT-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001127972723 786116314 /nfs/dbraw/zinc/11/63/14/786116314.db2.gz CHFVBQJVPFOBRK-GHMZBOCLSA-N 1 0 343.428 -1.800 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001127972724 786116671 /nfs/dbraw/zinc/11/66/71/786116671.db2.gz CHFVBQJVPFOBRK-MNOVXSKESA-N 1 0 343.428 -1.800 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001127972725 786116337 /nfs/dbraw/zinc/11/63/37/786116337.db2.gz CHFVBQJVPFOBRK-QWRGUYRKSA-N 1 0 343.428 -1.800 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001127972726 786116285 /nfs/dbraw/zinc/11/62/85/786116285.db2.gz CHFVBQJVPFOBRK-WDEREUQCSA-N 1 0 343.428 -1.800 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)Nc1cc(C)on1 ZINC001127972854 786116232 /nfs/dbraw/zinc/11/62/32/786116232.db2.gz DZPVPRJNXXEDRK-JTQLQIEISA-N 1 0 341.368 -1.222 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)Nc1cc(C)on1 ZINC001127972857 786116565 /nfs/dbraw/zinc/11/65/65/786116565.db2.gz DZPVPRJNXXEDRK-SNVBAGLBSA-N 1 0 341.368 -1.222 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001127973622 786116088 /nfs/dbraw/zinc/11/60/88/786116088.db2.gz MUYNRIMDVACXHM-NEPJUHHUSA-N 1 0 344.412 -1.862 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001127973623 786116361 /nfs/dbraw/zinc/11/63/61/786116361.db2.gz MUYNRIMDVACXHM-NWDGAFQWSA-N 1 0 344.412 -1.862 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001127973625 786116275 /nfs/dbraw/zinc/11/62/75/786116275.db2.gz MUYNRIMDVACXHM-RYUDHWBXSA-N 1 0 344.412 -1.862 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001127973627 786116596 /nfs/dbraw/zinc/11/65/96/786116596.db2.gz MUYNRIMDVACXHM-VXGBXAGGSA-N 1 0 344.412 -1.862 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001127974029 786116322 /nfs/dbraw/zinc/11/63/22/786116322.db2.gz RGFAUFJCMHWLFK-NXEZZACHSA-N 1 0 341.412 -1.016 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001127974030 786116169 /nfs/dbraw/zinc/11/61/69/786116169.db2.gz RGFAUFJCMHWLFK-UWVGGRQHSA-N 1 0 341.412 -1.016 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001127974031 786116512 /nfs/dbraw/zinc/11/65/12/786116512.db2.gz RGFAUFJCMHWLFK-VHSXEESVSA-N 1 0 341.412 -1.016 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001127974032 786116521 /nfs/dbraw/zinc/11/65/21/786116521.db2.gz RGFAUFJCMHWLFK-ZJUUUORDSA-N 1 0 341.412 -1.016 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001127974083 786116261 /nfs/dbraw/zinc/11/62/61/786116261.db2.gz SCEWXVDTDVMWCN-LLVKDONJSA-N 1 0 340.380 -1.247 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001127974084 786116764 /nfs/dbraw/zinc/11/67/64/786116764.db2.gz SCEWXVDTDVMWCN-NSHDSACASA-N 1 0 340.380 -1.247 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001127974121 786116355 /nfs/dbraw/zinc/11/63/55/786116355.db2.gz STXBRNKJFKSSPI-JTQLQIEISA-N 1 0 339.396 -1.796 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001127974122 786116137 /nfs/dbraw/zinc/11/61/37/786116137.db2.gz STXBRNKJFKSSPI-SNVBAGLBSA-N 1 0 339.396 -1.796 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001127974123 786116300 /nfs/dbraw/zinc/11/63/00/786116300.db2.gz SVQMSYSMRTVREK-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001127974124 786116822 /nfs/dbraw/zinc/11/68/22/786116822.db2.gz SVQMSYSMRTVREK-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127974143 786116253 /nfs/dbraw/zinc/11/62/53/786116253.db2.gz TXNFXBDQXPCRJT-LLVKDONJSA-N 1 0 332.401 -2.004 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127974144 786116703 /nfs/dbraw/zinc/11/67/03/786116703.db2.gz TXNFXBDQXPCRJT-NSHDSACASA-N 1 0 332.401 -2.004 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001127974205 786116733 /nfs/dbraw/zinc/11/67/33/786116733.db2.gz UXPFWXULUXHTLS-SECBINFHSA-N 1 0 343.384 -2.169 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001127974206 786116633 /nfs/dbraw/zinc/11/66/33/786116633.db2.gz UXPFWXULUXHTLS-VIFPVBQESA-N 1 0 343.384 -2.169 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001127974433 786116546 /nfs/dbraw/zinc/11/65/46/786116546.db2.gz VMLZNDGCZOIKSG-LLVKDONJSA-N 1 0 328.413 -1.098 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001127974434 786116459 /nfs/dbraw/zinc/11/64/59/786116459.db2.gz VMLZNDGCZOIKSG-NSHDSACASA-N 1 0 328.413 -1.098 20 0 EAADRO C[C@@H](NC(=O)C1CCCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127974693 786116192 /nfs/dbraw/zinc/11/61/92/786116192.db2.gz ZGGZXQZBLZMQBQ-SECBINFHSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@H](NC(=O)C1CCCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127974694 786116620 /nfs/dbraw/zinc/11/66/20/786116620.db2.gz ZGGZXQZBLZMQBQ-VIFPVBQESA-N 1 0 327.385 -1.418 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127978471 786116365 /nfs/dbraw/zinc/11/63/65/786116365.db2.gz GLAIKHBOHFCTIX-NXEZZACHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)CC ZINC001127978472 786116745 /nfs/dbraw/zinc/11/67/45/786116745.db2.gz GLAIKHBOHFCTIX-UWVGGRQHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127978473 786116720 /nfs/dbraw/zinc/11/67/20/786116720.db2.gz GLAIKHBOHFCTIX-VHSXEESVSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)CC ZINC001127978474 786116826 /nfs/dbraw/zinc/11/68/26/786116826.db2.gz GLAIKHBOHFCTIX-ZJUUUORDSA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001127984229 786119054 /nfs/dbraw/zinc/11/90/54/786119054.db2.gz BULJQICPMBZDDO-LLVKDONJSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001127984230 786118479 /nfs/dbraw/zinc/11/84/79/786118479.db2.gz BULJQICPMBZDDO-NSHDSACASA-N 1 0 328.413 -1.098 20 0 EAADRO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127984243 786118832 /nfs/dbraw/zinc/11/88/32/786118832.db2.gz CLAOVGYSULHTFU-GXSJLCMTSA-N 1 0 336.348 -1.091 20 0 EAADRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127984244 786118860 /nfs/dbraw/zinc/11/88/60/786118860.db2.gz CLAOVGYSULHTFU-KOLCDFICSA-N 1 0 336.348 -1.091 20 0 EAADRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127984245 786118467 /nfs/dbraw/zinc/11/84/67/786118467.db2.gz CLAOVGYSULHTFU-MWLCHTKSSA-N 1 0 336.348 -1.091 20 0 EAADRO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127984246 786119263 /nfs/dbraw/zinc/11/92/63/786119263.db2.gz CLAOVGYSULHTFU-ONGXEEELSA-N 1 0 336.348 -1.091 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127984987 786118993 /nfs/dbraw/zinc/11/89/93/786118993.db2.gz JQTGBPXJUMNBTA-JTQLQIEISA-N 1 0 327.385 -2.435 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127984988 786118809 /nfs/dbraw/zinc/11/88/09/786118809.db2.gz JQTGBPXJUMNBTA-SNVBAGLBSA-N 1 0 327.385 -2.435 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001127985109 786120131 /nfs/dbraw/zinc/12/01/31/786120131.db2.gz UFYNJTCBQQGLDY-LLVKDONJSA-N 1 0 338.412 -1.293 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001127985110 786120340 /nfs/dbraw/zinc/12/03/40/786120340.db2.gz UFYNJTCBQQGLDY-NSHDSACASA-N 1 0 338.412 -1.293 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001127985224 786120007 /nfs/dbraw/zinc/12/00/07/786120007.db2.gz LAZBMQCJMCXKGH-SECBINFHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001127985226 786119635 /nfs/dbraw/zinc/11/96/35/786119635.db2.gz LAZBMQCJMCXKGH-VIFPVBQESA-N 1 0 327.385 -1.405 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)NC(N)=O ZINC001127985233 786120160 /nfs/dbraw/zinc/12/01/60/786120160.db2.gz LCMZFXRQDWQVMC-BDAKNGLRSA-N 1 0 339.352 -1.313 20 0 EAADRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127985237 786120489 /nfs/dbraw/zinc/12/04/89/786120489.db2.gz LCMZFXRQDWQVMC-DTWKUNHWSA-N 1 0 339.352 -1.313 20 0 EAADRO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127985239 786119823 /nfs/dbraw/zinc/11/98/23/786119823.db2.gz LCMZFXRQDWQVMC-IUCAKERBSA-N 1 0 339.352 -1.313 20 0 EAADRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001127985242 786120567 /nfs/dbraw/zinc/12/05/67/786120567.db2.gz LCMZFXRQDWQVMC-RKDXNWHRSA-N 1 0 339.352 -1.313 20 0 EAADRO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001127985569 786120400 /nfs/dbraw/zinc/12/04/00/786120400.db2.gz OHAYAXFTLMVSLA-JTQLQIEISA-N 1 0 346.409 -1.347 20 0 EAADRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001127985571 786120028 /nfs/dbraw/zinc/12/00/28/786120028.db2.gz OHAYAXFTLMVSLA-SNVBAGLBSA-N 1 0 346.409 -1.347 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001127986067 786120444 /nfs/dbraw/zinc/12/04/44/786120444.db2.gz VBOUNOJYQNPNPN-NEPJUHHUSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001127986068 786120422 /nfs/dbraw/zinc/12/04/22/786120422.db2.gz VBOUNOJYQNPNPN-NWDGAFQWSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001127986069 786120061 /nfs/dbraw/zinc/12/00/61/786120061.db2.gz VBOUNOJYQNPNPN-RYUDHWBXSA-N 1 0 328.413 -1.098 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001127986070 786120035 /nfs/dbraw/zinc/12/00/35/786120035.db2.gz VBOUNOJYQNPNPN-VXGBXAGGSA-N 1 0 328.413 -1.098 20 0 EAADRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127986225 786120185 /nfs/dbraw/zinc/12/01/85/786120185.db2.gz WRPORANWPIXSGN-MRVPVSSYSA-N 1 0 325.325 -1.701 20 0 EAADRO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127986226 786119872 /nfs/dbraw/zinc/11/98/72/786119872.db2.gz WRPORANWPIXSGN-QMMMGPOBSA-N 1 0 325.325 -1.701 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)CC ZINC001127986265 786119764 /nfs/dbraw/zinc/11/97/64/786119764.db2.gz XJHIXNBPIGAXNH-JTQLQIEISA-N 1 0 329.401 -1.157 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127986266 786120284 /nfs/dbraw/zinc/12/02/84/786120284.db2.gz XJHIXNBPIGAXNH-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001127992129 786122559 /nfs/dbraw/zinc/12/25/59/786122559.db2.gz CLAONFLTXGBXLL-NEPJUHHUSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001127992131 786122546 /nfs/dbraw/zinc/12/25/46/786122546.db2.gz CLAONFLTXGBXLL-NWDGAFQWSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001127992132 786122392 /nfs/dbraw/zinc/12/23/92/786122392.db2.gz CLAONFLTXGBXLL-RYUDHWBXSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001127992134 786122058 /nfs/dbraw/zinc/12/20/58/786122058.db2.gz CLAONFLTXGBXLL-VXGBXAGGSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001127992380 786122189 /nfs/dbraw/zinc/12/21/89/786122189.db2.gz CVALGJIWAWMJJS-JTQLQIEISA-N 1 0 338.430 -2.265 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001127992381 786122158 /nfs/dbraw/zinc/12/21/58/786122158.db2.gz CVALGJIWAWMJJS-SNVBAGLBSA-N 1 0 338.430 -2.265 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001127992755 786122530 /nfs/dbraw/zinc/12/25/30/786122530.db2.gz IBVLHBFWMGMZSP-LLVKDONJSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001127992757 786122671 /nfs/dbraw/zinc/12/26/71/786122671.db2.gz IBVLHBFWMGMZSP-NSHDSACASA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001127993103 786122550 /nfs/dbraw/zinc/12/25/50/786122550.db2.gz KDMFUQHOYQRNSU-NEPJUHHUSA-N 1 0 344.412 -2.173 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001127993109 786122622 /nfs/dbraw/zinc/12/26/22/786122622.db2.gz KDMFUQHOYQRNSU-RYUDHWBXSA-N 1 0 344.412 -2.173 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001127993498 786122368 /nfs/dbraw/zinc/12/23/68/786122368.db2.gz MPNDGEQIEATXQX-LLVKDONJSA-N 1 0 345.444 -1.059 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001127993499 786122721 /nfs/dbraw/zinc/12/27/21/786122721.db2.gz MPNDGEQIEATXQX-NSHDSACASA-N 1 0 345.444 -1.059 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001127994923 786122433 /nfs/dbraw/zinc/12/24/33/786122433.db2.gz WGOBTDYJTWHAJZ-LLVKDONJSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001127994925 786122388 /nfs/dbraw/zinc/12/23/88/786122388.db2.gz WGOBTDYJTWHAJZ-NSHDSACASA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001127995050 786122691 /nfs/dbraw/zinc/12/26/91/786122691.db2.gz XRHMDJRLVXBSAH-JTQLQIEISA-N 1 0 326.401 -1.248 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001127995053 786122265 /nfs/dbraw/zinc/12/22/65/786122265.db2.gz XRHMDJRLVXBSAH-SNVBAGLBSA-N 1 0 326.401 -1.248 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001127995458 786122255 /nfs/dbraw/zinc/12/22/55/786122255.db2.gz XZBKDEDZEWFRPV-MRVPVSSYSA-N 1 0 344.397 -1.667 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001127995459 786122709 /nfs/dbraw/zinc/12/27/09/786122709.db2.gz XZBKDEDZEWFRPV-QMMMGPOBSA-N 1 0 344.397 -1.667 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001127995552 786122249 /nfs/dbraw/zinc/12/22/49/786122249.db2.gz ZVBYEOAPWCEYBT-GHMZBOCLSA-N 1 0 335.426 -1.722 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001127995553 786122566 /nfs/dbraw/zinc/12/25/66/786122566.db2.gz ZVBYEOAPWCEYBT-MNOVXSKESA-N 1 0 335.426 -1.722 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001127995554 786122827 /nfs/dbraw/zinc/12/28/27/786122827.db2.gz ZVBYEOAPWCEYBT-QWRGUYRKSA-N 1 0 335.426 -1.722 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001127995555 786122576 /nfs/dbraw/zinc/12/25/76/786122576.db2.gz ZVBYEOAPWCEYBT-WDEREUQCSA-N 1 0 335.426 -1.722 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001127997667 786123901 /nfs/dbraw/zinc/12/39/01/786123901.db2.gz UXDPAWWJKGSFRB-LLVKDONJSA-N 1 0 349.399 -1.742 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001127997668 786123370 /nfs/dbraw/zinc/12/33/70/786123370.db2.gz UXDPAWWJKGSFRB-NSHDSACASA-N 1 0 349.399 -1.742 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001127998271 786123264 /nfs/dbraw/zinc/12/32/64/786123264.db2.gz AASSDAIAKWCLKI-LLVKDONJSA-N 1 0 331.417 -1.449 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001127998272 786123424 /nfs/dbraw/zinc/12/34/24/786123424.db2.gz AASSDAIAKWCLKI-NSHDSACASA-N 1 0 331.417 -1.449 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001127998374 786123628 /nfs/dbraw/zinc/12/36/28/786123628.db2.gz BLWHVYFUOQNGIB-NEPJUHHUSA-N 1 0 344.412 -1.909 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001127998375 786123515 /nfs/dbraw/zinc/12/35/15/786123515.db2.gz BLWHVYFUOQNGIB-NWDGAFQWSA-N 1 0 344.412 -1.909 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001127998376 786123358 /nfs/dbraw/zinc/12/33/58/786123358.db2.gz BLWHVYFUOQNGIB-RYUDHWBXSA-N 1 0 344.412 -1.909 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001127998377 786123702 /nfs/dbraw/zinc/12/37/02/786123702.db2.gz BLWHVYFUOQNGIB-VXGBXAGGSA-N 1 0 344.412 -1.909 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127998544 786123924 /nfs/dbraw/zinc/12/39/24/786123924.db2.gz BWLSYDHSSRMLOO-JTQLQIEISA-N 1 0 338.430 -2.217 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127998548 786123454 /nfs/dbraw/zinc/12/34/54/786123454.db2.gz BWLSYDHSSRMLOO-SNVBAGLBSA-N 1 0 338.430 -2.217 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127998735 786123315 /nfs/dbraw/zinc/12/33/15/786123315.db2.gz FCDZOHGBZQDLTC-LLVKDONJSA-N 1 0 337.442 -1.332 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127998736 786123323 /nfs/dbraw/zinc/12/33/23/786123323.db2.gz FCDZOHGBZQDLTC-NSHDSACASA-N 1 0 337.442 -1.332 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC)C1CC1 ZINC001127998811 786123536 /nfs/dbraw/zinc/12/35/36/786123536.db2.gz GDNFERMOXACRME-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC)C1CC1 ZINC001127998812 786123241 /nfs/dbraw/zinc/12/32/41/786123241.db2.gz GDNFERMOXACRME-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001127998837 786123139 /nfs/dbraw/zinc/12/31/39/786123139.db2.gz 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COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001127999180 786123506 /nfs/dbraw/zinc/12/35/06/786123506.db2.gz LAMWZOMLQPXESS-VXGBXAGGSA-N 1 0 328.413 -1.240 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001127999210 786123298 /nfs/dbraw/zinc/12/32/98/786123298.db2.gz LQELGDJKQSNXQB-NEPJUHHUSA-N 1 0 344.412 -2.004 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001127999212 786123415 /nfs/dbraw/zinc/12/34/15/786123415.db2.gz LQELGDJKQSNXQB-NWDGAFQWSA-N 1 0 344.412 -2.004 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001127999215 786123279 /nfs/dbraw/zinc/12/32/79/786123279.db2.gz LQELGDJKQSNXQB-RYUDHWBXSA-N 1 0 344.412 -2.004 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001127999216 786123595 /nfs/dbraw/zinc/12/35/95/786123595.db2.gz LQELGDJKQSNXQB-VXGBXAGGSA-N 1 0 344.412 -2.004 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001127999292 786123464 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EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001127999298 786123546 /nfs/dbraw/zinc/12/35/46/786123546.db2.gz MBDIYZCMNDJOCW-QWRGUYRKSA-N 1 0 328.413 -1.242 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001127999299 786123188 /nfs/dbraw/zinc/12/31/88/786123188.db2.gz MBDIYZCMNDJOCW-WDEREUQCSA-N 1 0 328.413 -1.242 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001127999308 786123797 /nfs/dbraw/zinc/12/37/97/786123797.db2.gz MFQWZXSYRFZAST-CHWSQXEVSA-N 1 0 333.429 -1.123 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001127999309 786123274 /nfs/dbraw/zinc/12/32/74/786123274.db2.gz MFQWZXSYRFZAST-OLZOCXBDSA-N 1 0 333.429 -1.123 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001127999310 786123441 /nfs/dbraw/zinc/12/34/41/786123441.db2.gz MFQWZXSYRFZAST-QWHCGFSZSA-N 1 0 333.429 -1.123 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001127999311 786123498 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COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001127999493 786123249 /nfs/dbraw/zinc/12/32/49/786123249.db2.gz PAOQRCHGQSUUDL-WDEREUQCSA-N 1 0 337.442 -1.476 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001127999516 786123447 /nfs/dbraw/zinc/12/34/47/786123447.db2.gz PTWBTDMKZIQRCE-NEPJUHHUSA-N 1 0 328.413 -1.147 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001127999517 786123200 /nfs/dbraw/zinc/12/32/00/786123200.db2.gz PTWBTDMKZIQRCE-NWDGAFQWSA-N 1 0 328.413 -1.147 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001127999518 786123860 /nfs/dbraw/zinc/12/38/60/786123860.db2.gz PTWBTDMKZIQRCE-RYUDHWBXSA-N 1 0 328.413 -1.147 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001127999519 786123674 /nfs/dbraw/zinc/12/36/74/786123674.db2.gz PTWBTDMKZIQRCE-VXGBXAGGSA-N 1 0 328.413 -1.147 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001127999682 786123344 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C[C@@H](NC(=O)C1CCCC1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001127999754 786123847 /nfs/dbraw/zinc/12/38/47/786123847.db2.gz WNDVQYWMOBKVSN-NXEZZACHSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@H](NC(=O)C1CCCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127999755 786123647 /nfs/dbraw/zinc/12/36/47/786123647.db2.gz WNDVQYWMOBKVSN-UWVGGRQHSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@@H](NC(=O)C1CCCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127999756 786123106 /nfs/dbraw/zinc/12/31/06/786123106.db2.gz WNDVQYWMOBKVSN-VHSXEESVSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)NC(N)=O ZINC001127999757 786123567 /nfs/dbraw/zinc/12/35/67/786123567.db2.gz WNDVQYWMOBKVSN-ZJUUUORDSA-N 1 0 341.412 -1.030 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001127999812 786123622 /nfs/dbraw/zinc/12/36/22/786123622.db2.gz YAPZZCGMVBXIAB-JTQLQIEISA-N 1 0 343.384 -2.215 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001127999813 786123184 /nfs/dbraw/zinc/12/31/84/786123184.db2.gz YAPZZCGMVBXIAB-SNVBAGLBSA-N 1 0 343.384 -2.215 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001128003851 786124895 /nfs/dbraw/zinc/12/48/95/786124895.db2.gz BHSIXEALLCTJOX-NEPJUHHUSA-N 1 0 346.428 -1.616 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001128003852 786124721 /nfs/dbraw/zinc/12/47/21/786124721.db2.gz BHSIXEALLCTJOX-NWDGAFQWSA-N 1 0 346.428 -1.616 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001128003853 786124846 /nfs/dbraw/zinc/12/48/46/786124846.db2.gz BHSIXEALLCTJOX-RYUDHWBXSA-N 1 0 346.428 -1.616 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001128003854 786124581 /nfs/dbraw/zinc/12/45/81/786124581.db2.gz BHSIXEALLCTJOX-VXGBXAGGSA-N 1 0 346.428 -1.616 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001128004069 786124852 /nfs/dbraw/zinc/12/48/52/786124852.db2.gz FMBRYORIFYNEBD-SECBINFHSA-N 1 0 339.352 -1.441 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001128004070 786124426 /nfs/dbraw/zinc/12/44/26/786124426.db2.gz FMBRYORIFYNEBD-VIFPVBQESA-N 1 0 339.352 -1.441 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001128004160 786124890 /nfs/dbraw/zinc/12/48/90/786124890.db2.gz HJVVABXPNJDSMA-NEPJUHHUSA-N 1 0 327.385 -1.899 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001128004162 786124836 /nfs/dbraw/zinc/12/48/36/786124836.db2.gz HJVVABXPNJDSMA-NWDGAFQWSA-N 1 0 327.385 -1.899 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001128004163 786124861 /nfs/dbraw/zinc/12/48/61/786124861.db2.gz HJVVABXPNJDSMA-RYUDHWBXSA-N 1 0 327.385 -1.899 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001128004164 786124327 /nfs/dbraw/zinc/12/43/27/786124327.db2.gz HJVVABXPNJDSMA-VXGBXAGGSA-N 1 0 327.385 -1.899 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128004673 786124131 /nfs/dbraw/zinc/12/41/31/786124131.db2.gz MZRMZOLWXYSILJ-JTQLQIEISA-N 1 0 328.369 -2.008 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128004674 786124163 /nfs/dbraw/zinc/12/41/63/786124163.db2.gz MZRMZOLWXYSILJ-SNVBAGLBSA-N 1 0 328.369 -2.008 20 0 EAADRO CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001128004710 786124665 /nfs/dbraw/zinc/12/46/65/786124665.db2.gz NOFBYVQHXFOOCV-JTQLQIEISA-N 1 0 341.412 -1.076 20 0 EAADRO CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001128004713 786124435 /nfs/dbraw/zinc/12/44/35/786124435.db2.gz NOFBYVQHXFOOCV-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001128005131 786124277 /nfs/dbraw/zinc/12/42/77/786124277.db2.gz QPILTJZFGWHYFC-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001128005132 786124171 /nfs/dbraw/zinc/12/41/71/786124171.db2.gz QPILTJZFGWHYFC-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO CCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001128008856 786125572 /nfs/dbraw/zinc/12/55/72/786125572.db2.gz BANJRLXSCBNPSF-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001128008857 786126155 /nfs/dbraw/zinc/12/61/55/786126155.db2.gz BANJRLXSCBNPSF-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001128009636 786125327 /nfs/dbraw/zinc/12/53/27/786125327.db2.gz PWLZYGIRNZHCBL-JTQLQIEISA-N 1 0 327.385 -1.464 20 0 EAADRO CCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001128009638 786125940 /nfs/dbraw/zinc/12/59/40/786125940.db2.gz PWLZYGIRNZHCBL-SNVBAGLBSA-N 1 0 327.385 -1.464 20 0 EAADRO CCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001128009687 786125537 /nfs/dbraw/zinc/12/55/37/786125537.db2.gz RKVCVNGFIRFSEF-LLVKDONJSA-N 1 0 341.412 -1.204 20 0 EAADRO CCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001128009688 786125913 /nfs/dbraw/zinc/12/59/13/786125913.db2.gz RKVCVNGFIRFSEF-NSHDSACASA-N 1 0 341.412 -1.204 20 0 EAADRO CCC(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001128010418 786125978 /nfs/dbraw/zinc/12/59/78/786125978.db2.gz ZMAQBBDNDASJCT-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CCC(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001128010423 786125518 /nfs/dbraw/zinc/12/55/18/786125518.db2.gz ZMAQBBDNDASJCT-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128011996 786125507 /nfs/dbraw/zinc/12/55/07/786125507.db2.gz HWBDOMPRDKUHRW-GFCCVEGCSA-N 1 0 348.411 -1.137 20 0 EAADRO O=C(Cn1nccn1)N[C@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128011997 786125832 /nfs/dbraw/zinc/12/58/32/786125832.db2.gz HWBDOMPRDKUHRW-LBPRGKRZSA-N 1 0 348.411 -1.137 20 0 EAADRO CCc1ccnc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001128014414 786127198 /nfs/dbraw/zinc/12/71/98/786127198.db2.gz GIEQJBLVOQYSOW-UHFFFAOYSA-N 1 0 333.392 -1.078 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001128018291 786127059 /nfs/dbraw/zinc/12/70/59/786127059.db2.gz GXSILHKLRKLDDR-LLVKDONJSA-N 1 0 339.396 -1.464 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001128018292 786126701 /nfs/dbraw/zinc/12/67/01/786126701.db2.gz GXSILHKLRKLDDR-NSHDSACASA-N 1 0 339.396 -1.464 20 0 EAADRO CCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001128018646 786127149 /nfs/dbraw/zinc/12/71/49/786127149.db2.gz JQNOGZWBGVZVLR-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC(=O)N1CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001128018649 786126854 /nfs/dbraw/zinc/12/68/54/786126854.db2.gz JQNOGZWBGVZVLR-MNOVXSKESA-N 1 0 341.412 -1.076 20 0 EAADRO CCC(=O)N1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001128018652 786127128 /nfs/dbraw/zinc/12/71/28/786127128.db2.gz JQNOGZWBGVZVLR-QWRGUYRKSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001128018654 786127042 /nfs/dbraw/zinc/12/70/42/786127042.db2.gz JQNOGZWBGVZVLR-WDEREUQCSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001128018969 786126442 /nfs/dbraw/zinc/12/64/42/786126442.db2.gz LADMPHGYBGIHOJ-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCC(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001128018970 786126455 /nfs/dbraw/zinc/12/64/55/786126455.db2.gz LADMPHGYBGIHOJ-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO Cn1nnc(C(=O)N[C@H]2CCc3nnc(C[NH2+]CCCO)n3CC2)n1 ZINC001128026578 786128006 /nfs/dbraw/zinc/12/80/06/786128006.db2.gz BIHOKGUGLWBLON-JTQLQIEISA-N 1 0 349.399 -1.592 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCc3nnc(C[NH2+]CCCO)n3CC2)n1 ZINC001128026579 786127645 /nfs/dbraw/zinc/12/76/45/786127645.db2.gz BIHOKGUGLWBLON-SNVBAGLBSA-N 1 0 349.399 -1.592 20 0 EAADRO C[C@@H](O)CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128032284 786131099 /nfs/dbraw/zinc/13/10/99/786131099.db2.gz CSBXQRJUYULROG-GHMZBOCLSA-N 1 0 338.412 -1.165 20 0 EAADRO C[C@@H](O)CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128032285 786130943 /nfs/dbraw/zinc/13/09/43/786130943.db2.gz CSBXQRJUYULROG-MNOVXSKESA-N 1 0 338.412 -1.165 20 0 EAADRO C[C@H](O)CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128032286 786131687 /nfs/dbraw/zinc/13/16/87/786131687.db2.gz CSBXQRJUYULROG-QWRGUYRKSA-N 1 0 338.412 -1.165 20 0 EAADRO C[C@H](O)CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128032287 786130887 /nfs/dbraw/zinc/13/08/87/786130887.db2.gz CSBXQRJUYULROG-WDEREUQCSA-N 1 0 338.412 -1.165 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCc2nnc(CNCC(N)=O)n2CC1 ZINC001128033519 786131764 /nfs/dbraw/zinc/13/17/64/786131764.db2.gz XRJUTPVBARRUBO-LLVKDONJSA-N 1 0 337.428 -1.374 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCc2nnc(CNCC(N)=O)n2CC1 ZINC001128033522 786130674 /nfs/dbraw/zinc/13/06/74/786130674.db2.gz XRJUTPVBARRUBO-NSHDSACASA-N 1 0 337.428 -1.374 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)NCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001128044255 786133827 /nfs/dbraw/zinc/13/38/27/786133827.db2.gz KHFQHVKACCSKGM-UHFFFAOYSA-N 1 0 326.361 -2.129 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)NCC[NH2+]CCS(C)(=O)=O)n1 ZINC001128044458 786134165 /nfs/dbraw/zinc/13/41/65/786134165.db2.gz QPVTUNJFMZPOIT-UHFFFAOYSA-N 1 0 332.430 -1.279 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001128044645 786133745 /nfs/dbraw/zinc/13/37/45/786133745.db2.gz WVIZSJYRPMGRNB-UHFFFAOYSA-N 1 0 340.388 -1.868 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001128047158 786133788 /nfs/dbraw/zinc/13/37/88/786133788.db2.gz FTDIWMLZEJGRTR-UHFFFAOYSA-N 1 0 347.445 -1.774 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)NCC[NH2+]CCN2CCNC2=O)n1 ZINC001128047210 786133770 /nfs/dbraw/zinc/13/37/70/786133770.db2.gz GJLCXKDMYKOESL-UHFFFAOYSA-N 1 0 338.416 -1.298 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)NC(N)=O ZINC001128048031 786135108 /nfs/dbraw/zinc/13/51/08/786135108.db2.gz RPCIKHPEOZOCOF-MRVPVSSYSA-N 1 0 340.388 -1.740 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)NC(N)=O ZINC001128048033 786134936 /nfs/dbraw/zinc/13/49/36/786134936.db2.gz RPCIKHPEOZOCOF-QMMMGPOBSA-N 1 0 340.388 -1.740 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001128048264 786135436 /nfs/dbraw/zinc/13/54/36/786135436.db2.gz WGMYTBDFTCAVCP-SECBINFHSA-N 1 0 337.384 -1.518 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001128048265 786135232 /nfs/dbraw/zinc/13/52/32/786135232.db2.gz WGMYTBDFTCAVCP-VIFPVBQESA-N 1 0 337.384 -1.518 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccc2n[nH]nc21)N1CCNC(=O)C1 ZINC001128055029 786135459 /nfs/dbraw/zinc/13/54/59/786135459.db2.gz HRVVSNLYNPICSD-UHFFFAOYSA-N 1 0 345.363 -1.764 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128058688 786135135 /nfs/dbraw/zinc/13/51/35/786135135.db2.gz GNGCQSIVDRGVAL-LLVKDONJSA-N 1 0 348.411 -1.068 20 0 EAADRO O=C(Cc1nc[nH]n1)N[C@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128058690 786135051 /nfs/dbraw/zinc/13/50/51/786135051.db2.gz GNGCQSIVDRGVAL-NSHDSACASA-N 1 0 348.411 -1.068 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cccc2n[nH]nc21 ZINC001128061052 786135776 /nfs/dbraw/zinc/13/57/76/786135776.db2.gz CRVBUXHWVOKXAV-UHFFFAOYSA-N 1 0 326.382 -1.174 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cccc2n[nH]nc21 ZINC001128062152 786135020 /nfs/dbraw/zinc/13/50/20/786135020.db2.gz YMSAROBIYRDKIL-UHFFFAOYSA-N 1 0 331.336 -1.171 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCc3nnc(CNCC(N)=O)n3CC2)C1 ZINC001128065174 786134950 /nfs/dbraw/zinc/13/49/50/786134950.db2.gz FBPJMSRZTTUKNO-NEPJUHHUSA-N 1 0 349.439 -1.374 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3nnc(CNCC(N)=O)n3CC2)C1 ZINC001128065176 786135643 /nfs/dbraw/zinc/13/56/43/786135643.db2.gz FBPJMSRZTTUKNO-NWDGAFQWSA-N 1 0 349.439 -1.374 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3nnc(CNCC(N)=O)n3CC2)C1 ZINC001128065178 786135405 /nfs/dbraw/zinc/13/54/05/786135405.db2.gz FBPJMSRZTTUKNO-RYUDHWBXSA-N 1 0 349.439 -1.374 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3nnc(CNCC(N)=O)n3CC2)C1 ZINC001128065180 786135428 /nfs/dbraw/zinc/13/54/28/786135428.db2.gz FBPJMSRZTTUKNO-VXGBXAGGSA-N 1 0 349.439 -1.374 20 0 EAADRO NC(=O)CNCc1nnc2n1CC[C@H](NC(=O)C[NH+]1CCCC1)CC2 ZINC001128065506 786135309 /nfs/dbraw/zinc/13/53/09/786135309.db2.gz IAMKPHCXGUXOHD-GFCCVEGCSA-N 1 0 349.439 -1.230 20 0 EAADRO NC(=O)CNCc1nnc2n1CC[C@@H](NC(=O)C[NH+]1CCCC1)CC2 ZINC001128065508 786135119 /nfs/dbraw/zinc/13/51/19/786135119.db2.gz IAMKPHCXGUXOHD-LBPRGKRZSA-N 1 0 349.439 -1.230 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128066383 786136880 /nfs/dbraw/zinc/13/68/80/786136880.db2.gz OVVDQFWZFGKRCU-GFCCVEGCSA-N 1 0 348.411 -1.137 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128066385 786136402 /nfs/dbraw/zinc/13/64/02/786136402.db2.gz OVVDQFWZFGKRCU-LBPRGKRZSA-N 1 0 348.411 -1.137 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001128066426 786136423 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O=C(Cn1cnnn1)N[C@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128077851 786136442 /nfs/dbraw/zinc/13/64/42/786136442.db2.gz YWQSWEVCYDQPGB-ZDUSSCGKSA-N 1 0 346.395 -1.455 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128077892 786136847 /nfs/dbraw/zinc/13/68/47/786136847.db2.gz ZVTGTLAWTKNNRX-GFCCVEGCSA-N 1 0 336.396 -1.473 20 0 EAADRO NC(=O)NCC(=O)N[C@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128077893 786136481 /nfs/dbraw/zinc/13/64/81/786136481.db2.gz ZVTGTLAWTKNNRX-LBPRGKRZSA-N 1 0 336.396 -1.473 20 0 EAADRO Cn1cc(Cl)c(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001128093624 786138023 /nfs/dbraw/zinc/13/80/23/786138023.db2.gz JBVGXCQZOTZHML-UHFFFAOYSA-N 1 0 328.760 -1.055 20 0 EAADRO Cn1cc(Cl)c(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001128094269 786137193 /nfs/dbraw/zinc/13/71/93/786137193.db2.gz UEZLRPOOUBSYGQ-UHFFFAOYSA-N 1 0 342.787 -1.649 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001128098335 786139226 /nfs/dbraw/zinc/13/92/26/786139226.db2.gz 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COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128098350 786138615 /nfs/dbraw/zinc/13/86/15/786138615.db2.gz GDORIQWMNZVMFT-ZYHUDNBSSA-N 1 0 338.426 -1.851 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128098401 786138694 /nfs/dbraw/zinc/13/86/94/786138694.db2.gz IFIQJYSVBRELNP-UHFFFAOYSA-N 1 0 334.442 -1.166 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)C1CS(=O)(=O)C1 ZINC001128098702 786138598 /nfs/dbraw/zinc/13/85/98/786138598.db2.gz NITVMOJHMSFUPV-UHFFFAOYSA-N 1 0 339.439 -2.228 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128098725 786139468 /nfs/dbraw/zinc/13/94/68/786139468.db2.gz ODTUUKMRCHEUQC-UHFFFAOYSA-N 1 0 341.455 -1.934 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CS(=O)(=O)C1 ZINC001128098726 786138823 /nfs/dbraw/zinc/13/88/23/786138823.db2.gz ODWTWLWMYGGBMV-NSHDSACASA-N 1 0 333.410 -2.280 20 0 EAADRO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)C1CS(=O)(=O)C1 ZINC001128098954 786138601 /nfs/dbraw/zinc/13/86/01/786138601.db2.gz RTQMXKJKVUTYPD-UHFFFAOYSA-N 1 0 338.451 -1.438 20 0 EAADRO CN(CC[NH2+]CCNC(=O)C1CS(=O)(=O)C1)S(C)(=O)=O ZINC001128099119 786139285 /nfs/dbraw/zinc/13/92/85/786139285.db2.gz WRSMGFPHGUCHDT-UHFFFAOYSA-N 1 0 327.428 -2.372 20 0 EAADRO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)C1CS(=O)(=O)C1 ZINC001128099481 786139474 /nfs/dbraw/zinc/13/94/74/786139474.db2.gz ZFIRMABBYOXLPE-UHFFFAOYSA-N 1 0 345.343 -1.195 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1CCN(c2cccc(CNCC(N)=O)n2)C1 ZINC001128102216 786139327 /nfs/dbraw/zinc/13/93/27/786139327.db2.gz MOWHZPLBNQKEJZ-GFCCVEGCSA-N 1 0 348.407 -1.513 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1CCN(c2cccc(CNCC(N)=O)n2)C1 ZINC001128102217 786138952 /nfs/dbraw/zinc/13/89/52/786138952.db2.gz MOWHZPLBNQKEJZ-LBPRGKRZSA-N 1 0 348.407 -1.513 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1CS(=O)(=O)C1 ZINC001128103690 786138612 /nfs/dbraw/zinc/13/86/12/786138612.db2.gz AFSPAALFDUXKON-SECBINFHSA-N 1 0 348.343 -1.323 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1CS(=O)(=O)C1 ZINC001128103691 786139040 /nfs/dbraw/zinc/13/90/40/786139040.db2.gz AFSPAALFDUXKON-VIFPVBQESA-N 1 0 348.343 -1.323 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCc1ccco1)C1CS(=O)(=O)C1 ZINC001128103706 786138500 /nfs/dbraw/zinc/13/85/00/786138500.db2.gz BCUAYTWVOGTPBA-GFCCVEGCSA-N 1 0 346.405 -1.093 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCc1ccco1)C1CS(=O)(=O)C1 ZINC001128103707 786138894 /nfs/dbraw/zinc/13/88/94/786138894.db2.gz BCUAYTWVOGTPBA-LBPRGKRZSA-N 1 0 346.405 -1.093 20 0 EAADRO Cn1nc(C2CC2)nc1CNCCNC(=O)C1CS(=O)(=O)C1 ZINC001128104075 786138973 /nfs/dbraw/zinc/13/89/73/786138973.db2.gz FVYFRSGBNPZSSL-UHFFFAOYSA-N 1 0 327.410 -1.057 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128104120 786139016 /nfs/dbraw/zinc/13/90/16/786139016.db2.gz GJWSTEHBPUMVLV-UHFFFAOYSA-N 1 0 341.455 -1.982 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C1CS(=O)(=O)C1 ZINC001128104397 786138709 /nfs/dbraw/zinc/13/87/09/786138709.db2.gz IYCBVJLCVPGELV-JTQLQIEISA-N 1 0 338.451 -1.438 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C1CS(=O)(=O)C1 ZINC001128104398 786138914 /nfs/dbraw/zinc/13/89/14/786138914.db2.gz IYCBVJLCVPGELV-SNVBAGLBSA-N 1 0 338.451 -1.438 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128104403 786140238 /nfs/dbraw/zinc/14/02/38/786140238.db2.gz JDPRGXPVOSOPJX-UHFFFAOYSA-N 1 0 327.428 -2.324 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1CS(=O)(=O)C1)NC[C@@H]1CCOC1 ZINC001128104430 786140347 /nfs/dbraw/zinc/14/03/47/786140347.db2.gz KNEHMIAKQBHKKK-JTQLQIEISA-N 1 0 333.410 -2.111 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1CS(=O)(=O)C1)NC[C@H]1CCOC1 ZINC001128104432 786139820 /nfs/dbraw/zinc/13/98/20/786139820.db2.gz KNEHMIAKQBHKKK-SNVBAGLBSA-N 1 0 333.410 -2.111 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128104455 786139757 /nfs/dbraw/zinc/13/97/57/786139757.db2.gz LHKRWVCLTYIDTI-UHFFFAOYSA-N 1 0 348.425 -1.781 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128104521 786139832 /nfs/dbraw/zinc/13/98/32/786139832.db2.gz MVZPRNCGWWOATP-UHFFFAOYSA-N 1 0 349.453 -1.332 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)CCO1 ZINC001128104798 786140483 /nfs/dbraw/zinc/14/04/83/786140483.db2.gz OHCGOFDBKLFIOV-JTQLQIEISA-N 1 0 333.410 -2.016 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)CCO1 ZINC001128104801 786139786 /nfs/dbraw/zinc/13/97/86/786139786.db2.gz OHCGOFDBKLFIOV-SNVBAGLBSA-N 1 0 333.410 -2.016 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+]CCNC(=O)C2CS(=O)(=O)C2)n1 ZINC001128104865 786139653 /nfs/dbraw/zinc/13/96/53/786139653.db2.gz PJTUIQWOKVPTLP-UHFFFAOYSA-N 1 0 344.441 -1.279 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128104893 786139878 /nfs/dbraw/zinc/13/98/78/786139878.db2.gz PUEDXJAGXLMKOJ-UHFFFAOYSA-N 1 0 343.409 -1.285 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)C[C@@H](C)O1 ZINC001128104913 786140064 /nfs/dbraw/zinc/14/00/64/786140064.db2.gz QCBVXVQESFVUJU-GHMZBOCLSA-N 1 0 347.437 -1.627 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)C[C@H](C)O1 ZINC001128104915 786139974 /nfs/dbraw/zinc/13/99/74/786139974.db2.gz QCBVXVQESFVUJU-PHIMTYICSA-N 1 0 347.437 -1.627 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)C[C@H](C)O1 ZINC001128104917 786140131 /nfs/dbraw/zinc/14/01/31/786140131.db2.gz QCBVXVQESFVUJU-QWRGUYRKSA-N 1 0 347.437 -1.627 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CS(=O)(=O)C1 ZINC001128104921 786140253 /nfs/dbraw/zinc/14/02/53/786140253.db2.gz QDGCPWOMUVMPDN-JTQLQIEISA-N 1 0 347.393 -2.753 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CS(=O)(=O)C1 ZINC001128104977 786140180 /nfs/dbraw/zinc/14/01/80/786140180.db2.gz QDGCPWOMUVMPDN-SNVBAGLBSA-N 1 0 347.393 -2.753 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128105049 786140117 /nfs/dbraw/zinc/14/01/17/786140117.db2.gz RUXDVVBJUREZQP-MRVPVSSYSA-N 1 0 334.398 -2.029 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128105050 786140189 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ZINC001128595253 786198430 /nfs/dbraw/zinc/19/84/30/786198430.db2.gz WCIIXNFKEUYSDG-UHFFFAOYSA-N 1 0 338.430 -2.216 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)nn1 ZINC001128595292 786198566 /nfs/dbraw/zinc/19/85/66/786198566.db2.gz XHCNGQRRMPJISF-UHFFFAOYSA-N 1 0 331.398 -1.370 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001128595307 786198232 /nfs/dbraw/zinc/19/82/32/786198232.db2.gz XNMGDBUFHHXFOM-UHFFFAOYSA-N 1 0 338.430 -2.216 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001128595345 786198859 /nfs/dbraw/zinc/19/88/59/786198859.db2.gz YNOPIWOCLOODCT-UHFFFAOYSA-N 1 0 348.347 -1.690 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128595351 786198708 /nfs/dbraw/zinc/19/87/08/786198708.db2.gz ZBWYEFWIWKWPDM-UHFFFAOYSA-N 1 0 326.397 -1.044 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnc(OC)nc1C ZINC001128595353 786198579 /nfs/dbraw/zinc/19/85/79/786198579.db2.gz ZCBDFKLMGKRDNN-UHFFFAOYSA-N 1 0 345.425 -1.061 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001128600557 786196340 /nfs/dbraw/zinc/19/63/40/786196340.db2.gz AOEZFVSSQFJFPU-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001128600559 786196863 /nfs/dbraw/zinc/19/68/63/786196863.db2.gz AOEZFVSSQFJFPU-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128600567 786196626 /nfs/dbraw/zinc/19/66/26/786196626.db2.gz ATTNOZFHPDWELI-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001128600569 786197229 /nfs/dbraw/zinc/19/72/29/786197229.db2.gz AUMMGHWGRGBVKB-UHFFFAOYSA-N 1 0 334.442 -1.452 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128600598 786197929 /nfs/dbraw/zinc/19/79/29/786197929.db2.gz BMNKRBNEVWNLQT-UHFFFAOYSA-N 1 0 349.413 -2.427 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001128600624 786197950 /nfs/dbraw/zinc/19/79/50/786197950.db2.gz CFCREHUPIUEZMK-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001128600631 786197883 /nfs/dbraw/zinc/19/78/83/786197883.db2.gz CNMCAGMEQLUWKK-GFCCVEGCSA-N 1 0 346.453 -1.215 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001128600633 786197285 /nfs/dbraw/zinc/19/72/85/786197285.db2.gz CNMCAGMEQLUWKK-LBPRGKRZSA-N 1 0 346.453 -1.215 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128600648 786197385 /nfs/dbraw/zinc/19/73/85/786197385.db2.gz CWABJRNLZJAZAJ-UHFFFAOYSA-N 1 0 330.432 -2.819 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001128600649 786197794 /nfs/dbraw/zinc/19/77/94/786197794.db2.gz CXQVXEOMEXZVAR-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128600668 786197973 /nfs/dbraw/zinc/19/79/73/786197973.db2.gz DHZLOPWHYUNSHZ-UHFFFAOYSA-N 1 0 332.430 -1.248 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001128600670 786197953 /nfs/dbraw/zinc/19/79/53/786197953.db2.gz DJJHXMRMRWVFDD-UHFFFAOYSA-N 1 0 348.347 -1.690 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128600675 786197596 /nfs/dbraw/zinc/19/75/96/786197596.db2.gz DQINVNZCIJDDKP-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128600676 786197307 /nfs/dbraw/zinc/19/73/07/786197307.db2.gz DQINVNZCIJDDKP-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O)C1 ZINC001128600688 786197814 /nfs/dbraw/zinc/19/78/14/786197814.db2.gz DTMWOCIWDHBMKG-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O)C1 ZINC001128600690 786197707 /nfs/dbraw/zinc/19/77/07/786197707.db2.gz DTMWOCIWDHBMKG-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128600694 786197994 /nfs/dbraw/zinc/19/79/94/786197994.db2.gz DWGNUEZSVYIHCD-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128600696 786197760 /nfs/dbraw/zinc/19/77/60/786197760.db2.gz DWGNUEZSVYIHCD-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001128600824 786197159 /nfs/dbraw/zinc/19/71/59/786197159.db2.gz FJHVDGCYXBLONX-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001128600825 786197508 /nfs/dbraw/zinc/19/75/08/786197508.db2.gz FJHVDGCYXBLONX-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001128600828 786197824 /nfs/dbraw/zinc/19/78/24/786197824.db2.gz FLOBWINXUJTVHR-UHFFFAOYSA-N 1 0 342.421 -1.069 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128600830 786197214 /nfs/dbraw/zinc/19/72/14/786197214.db2.gz FSMTXVWRCSQLMK-UHFFFAOYSA-N 1 0 334.398 -2.220 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001128600866 786197183 /nfs/dbraw/zinc/19/71/83/786197183.db2.gz GTNACMDTHRNJSO-GFCCVEGCSA-N 1 0 339.458 -1.335 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001128600867 786197410 /nfs/dbraw/zinc/19/74/10/786197410.db2.gz GTNACMDTHRNJSO-LBPRGKRZSA-N 1 0 339.458 -1.335 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128600870 786197321 /nfs/dbraw/zinc/19/73/21/786197321.db2.gz GXDARCYQYBRLAU-UHFFFAOYSA-N 1 0 338.430 -2.216 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)nn1 ZINC001128600882 786197218 /nfs/dbraw/zinc/19/72/18/786197218.db2.gz HGDIKVUTTRSQNS-UHFFFAOYSA-N 1 0 331.398 -1.370 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001128600889 786197652 /nfs/dbraw/zinc/19/76/52/786197652.db2.gz HMQCOARIGJZZEL-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001128600890 786197960 /nfs/dbraw/zinc/19/79/60/786197960.db2.gz HMQCOARIGJZZEL-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001128601049 786197334 /nfs/dbraw/zinc/19/73/34/786197334.db2.gz ISVANVPTAPXBMC-JTQLQIEISA-N 1 0 330.414 -1.590 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001128601050 786197444 /nfs/dbraw/zinc/19/74/44/786197444.db2.gz ISVANVPTAPXBMC-SNVBAGLBSA-N 1 0 330.414 -1.590 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001128601052 786197840 /nfs/dbraw/zinc/19/78/40/786197840.db2.gz IZKHTFODBMWMHQ-LLVKDONJSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001128601053 786197945 /nfs/dbraw/zinc/19/79/45/786197945.db2.gz IZKHTFODBMWMHQ-NSHDSACASA-N 1 0 334.442 -1.359 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128601054 786197832 /nfs/dbraw/zinc/19/78/32/786197832.db2.gz JAIIZDKXSYULMG-UHFFFAOYSA-N 1 0 336.414 -2.510 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001128601078 786197569 /nfs/dbraw/zinc/19/75/69/786197569.db2.gz JUTRWAZVUZDFEF-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001128601079 786197799 /nfs/dbraw/zinc/19/77/99/786197799.db2.gz JUTRWAZVUZDFEF-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)n1 ZINC001128601088 786197475 /nfs/dbraw/zinc/19/74/75/786197475.db2.gz KMQDQNWKXBYZDC-UHFFFAOYSA-N 1 0 331.398 -1.370 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O)CC1 ZINC001128601125 786197537 /nfs/dbraw/zinc/19/75/37/786197537.db2.gz LFDAODMGRNURET-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001128601140 786197452 /nfs/dbraw/zinc/19/74/52/786197452.db2.gz LSLPRSLACURFBM-LLVKDONJSA-N 1 0 336.458 -1.208 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001128601141 786197732 /nfs/dbraw/zinc/19/77/32/786197732.db2.gz LSLPRSLACURFBM-NSHDSACASA-N 1 0 336.458 -1.208 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601151 786197361 /nfs/dbraw/zinc/19/73/61/786197361.db2.gz MCFOLGBUPWSGHR-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601178 786197488 /nfs/dbraw/zinc/19/74/88/786197488.db2.gz NTNRZUUXAMEVDF-UHFFFAOYSA-N 1 0 344.459 -2.429 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601185 786197513 /nfs/dbraw/zinc/19/75/13/786197513.db2.gz NWLQBWGCJCYHIX-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601186 786197264 /nfs/dbraw/zinc/19/72/64/786197264.db2.gz NWLQBWGCJCYHIX-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601187 786197991 /nfs/dbraw/zinc/19/79/91/786197991.db2.gz NWLQBWGCJCYHIX-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601188 786197162 /nfs/dbraw/zinc/19/71/62/786197162.db2.gz NWLQBWGCJCYHIX-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cncc(OC)n1 ZINC001128601270 786198847 /nfs/dbraw/zinc/19/88/47/786198847.db2.gz OQPCALIZPVYEQT-UHFFFAOYSA-N 1 0 331.398 -1.370 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001128601285 786198461 /nfs/dbraw/zinc/19/84/61/786198461.db2.gz PJNYBGIRGNCNKZ-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601300 786198742 /nfs/dbraw/zinc/19/87/42/786198742.db2.gz QAPOCZAWXTYHKR-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601301 786198763 /nfs/dbraw/zinc/19/87/63/786198763.db2.gz QAPOCZAWXTYHKR-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601320 786198732 /nfs/dbraw/zinc/19/87/32/786198732.db2.gz QVAQXQZVJVQMON-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001128601325 786198800 /nfs/dbraw/zinc/19/88/00/786198800.db2.gz RFYIVQKISIBOKN-LLVKDONJSA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001128601326 786198986 /nfs/dbraw/zinc/19/89/86/786198986.db2.gz RFYIVQKISIBOKN-NSHDSACASA-N 1 0 336.458 -1.113 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001128601327 786198701 /nfs/dbraw/zinc/19/87/01/786198701.db2.gz RGSOMLOJKBWCHO-UHFFFAOYSA-N 1 0 346.409 -1.459 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001128601332 786198813 /nfs/dbraw/zinc/19/88/13/786198813.db2.gz RMUFGLBWMHXWGH-UHFFFAOYSA-N 1 0 337.446 -1.661 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001128601342 786198686 /nfs/dbraw/zinc/19/86/86/786198686.db2.gz RYAKOKLVADBJGV-LLVKDONJSA-N 1 0 333.414 -2.111 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001128601343 786198728 /nfs/dbraw/zinc/19/87/28/786198728.db2.gz RYAKOKLVADBJGV-NSHDSACASA-N 1 0 333.414 -2.111 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601351 786196336 /nfs/dbraw/zinc/19/63/36/786196336.db2.gz SFSDLFHCECPLGA-LLVKDONJSA-N 1 0 336.458 -1.208 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601352 786196581 /nfs/dbraw/zinc/19/65/81/786196581.db2.gz SFSDLFHCECPLGA-NSHDSACASA-N 1 0 336.458 -1.208 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128601354 786196475 /nfs/dbraw/zinc/19/64/75/786196475.db2.gz SJLGLGZFDDKGQA-MRVPVSSYSA-N 1 0 337.402 -2.524 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128601355 786196311 /nfs/dbraw/zinc/19/63/11/786196311.db2.gz SJLGLGZFDDKGQA-QMMMGPOBSA-N 1 0 337.402 -2.524 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001128601460 786198495 /nfs/dbraw/zinc/19/84/95/786198495.db2.gz TYLIFFLPUYJJMC-UHFFFAOYSA-N 1 0 333.370 -1.742 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(=O)c(OC)co1 ZINC001128601464 786196791 /nfs/dbraw/zinc/19/67/91/786196791.db2.gz TZYAPMKTHOXHFH-UHFFFAOYSA-N 1 0 347.393 -1.207 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)c(C)n1 ZINC001128601479 786196636 /nfs/dbraw/zinc/19/66/36/786196636.db2.gz UMYOXVAVMDGLSP-UHFFFAOYSA-N 1 0 345.425 -1.061 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O)on1 ZINC001128601490 786197846 /nfs/dbraw/zinc/19/78/46/786197846.db2.gz USQQMCPMJVVGDV-UHFFFAOYSA-N 1 0 347.397 -1.433 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001128601492 786197464 /nfs/dbraw/zinc/19/74/64/786197464.db2.gz UWBNOYYTHQHHSW-UHFFFAOYSA-N 1 0 336.458 -1.206 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001128601502 786197922 /nfs/dbraw/zinc/19/79/22/786197922.db2.gz VDUWBMMEWYUTSH-UHFFFAOYSA-N 1 0 349.438 -1.273 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601512 786197893 /nfs/dbraw/zinc/19/78/93/786197893.db2.gz VJPGRDVSARXVOF-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128601514 786197940 /nfs/dbraw/zinc/19/79/40/786197940.db2.gz VKORCNJJTCCRMG-UHFFFAOYSA-N 1 0 335.386 -2.817 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601520 786197178 /nfs/dbraw/zinc/19/71/78/786197178.db2.gz VRWPGIHNKJJPHB-UHFFFAOYSA-N 1 0 337.402 -2.523 20 0 EAADRO Cn1ccc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)cc1=O ZINC001128601543 786198425 /nfs/dbraw/zinc/19/84/25/786198425.db2.gz XLKIKTQBBSUPCW-UHFFFAOYSA-N 1 0 330.410 -1.470 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001128601557 786198539 /nfs/dbraw/zinc/19/85/39/786198539.db2.gz YFYAGNRQIJXNQZ-UHFFFAOYSA-N 1 0 344.397 -1.940 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001128601565 786198712 /nfs/dbraw/zinc/19/87/12/786198712.db2.gz YQNLCOCGVOMZDE-JTQLQIEISA-N 1 0 343.471 -1.688 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001128601566 786198914 /nfs/dbraw/zinc/19/89/14/786198914.db2.gz YQNLCOCGVOMZDE-SNVBAGLBSA-N 1 0 343.471 -1.688 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)CC)C1CC1 ZINC001128601568 786198389 /nfs/dbraw/zinc/19/83/89/786198389.db2.gz YSCBXVVVMAZKNN-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)nn1 ZINC001128603132 786199339 /nfs/dbraw/zinc/19/93/39/786199339.db2.gz ATJCAYLTCPTWDT-UHFFFAOYSA-N 1 0 331.398 -1.418 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)Nc1cnccn1)S(C)(=O)=O ZINC001128603231 786199995 /nfs/dbraw/zinc/19/99/95/786199995.db2.gz CQGJEZLBALNZOV-UHFFFAOYSA-N 1 0 344.397 -1.988 20 0 EAADRO CN(CC(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1)S(C)(=O)=O ZINC001128603250 786199484 /nfs/dbraw/zinc/19/94/84/786199484.db2.gz CWXKVZKOMCLSML-UHFFFAOYSA-N 1 0 342.421 -1.117 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)n1 ZINC001128603274 786199539 /nfs/dbraw/zinc/19/95/39/786199539.db2.gz FEFLKVVSDVSKDP-UHFFFAOYSA-N 1 0 333.414 -1.092 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128603276 786199506 /nfs/dbraw/zinc/19/95/06/786199506.db2.gz FEYVVIKFYGANFF-UHFFFAOYSA-N 1 0 338.430 -2.216 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001128603327 786199362 /nfs/dbraw/zinc/19/93/62/786199362.db2.gz FQEDKQRLZJJMPQ-MRVPVSSYSA-N 1 0 335.348 -1.055 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001128603329 786199687 /nfs/dbraw/zinc/19/96/87/786199687.db2.gz FQEDKQRLZJJMPQ-QMMMGPOBSA-N 1 0 335.348 -1.055 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)NCc1ccco1)S(C)(=O)=O ZINC001128603341 786199976 /nfs/dbraw/zinc/19/99/76/786199976.db2.gz GBAGIFHIVGEFCK-UHFFFAOYSA-N 1 0 346.409 -1.507 20 0 EAADRO CN(CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC001128603418 786199918 /nfs/dbraw/zinc/19/99/18/786199918.db2.gz HSCLKMIDWNREFM-JTQLQIEISA-N 1 0 341.455 -1.982 20 0 EAADRO CN(CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC001128603420 786199604 /nfs/dbraw/zinc/19/96/04/786199604.db2.gz HSCLKMIDWNREFM-SNVBAGLBSA-N 1 0 341.455 -1.982 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603477 786199929 /nfs/dbraw/zinc/19/99/29/786199929.db2.gz IURKESFZARPBQT-LLVKDONJSA-N 1 0 341.430 -2.393 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603524 786199952 /nfs/dbraw/zinc/19/99/52/786199952.db2.gz IURKESFZARPBQT-NSHDSACASA-N 1 0 341.430 -2.393 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001128603585 786199546 /nfs/dbraw/zinc/19/95/46/786199546.db2.gz JVSGJMXEIUAAAU-UHFFFAOYSA-N 1 0 334.442 -1.310 20 0 EAADRO CN(CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)S(C)(=O)=O ZINC001128603596 786199365 /nfs/dbraw/zinc/19/93/65/786199365.db2.gz KFXPYPUMEQSERI-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CN(CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)S(C)(=O)=O ZINC001128603599 786200017 /nfs/dbraw/zinc/20/00/17/786200017.db2.gz KFXPYPUMEQSERI-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603603 786199765 /nfs/dbraw/zinc/19/97/65/786199765.db2.gz KJBPYQZKOLEXNE-UHFFFAOYSA-N 1 0 332.430 -1.296 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)NC1CCCC1)S(C)(=O)=O ZINC001128603686 786199879 /nfs/dbraw/zinc/19/98/79/786199879.db2.gz LJTOLTDUYNVYKX-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001128603688 786199922 /nfs/dbraw/zinc/19/99/22/786199922.db2.gz LJXQLAWWLZGEKM-UHFFFAOYSA-N 1 0 349.413 -2.380 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O ZINC001128603709 786199723 /nfs/dbraw/zinc/19/97/23/786199723.db2.gz LZKARIASUBIFBN-UHFFFAOYSA-N 1 0 344.459 -2.525 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603721 786199633 /nfs/dbraw/zinc/19/96/33/786199633.db2.gz MFTVGOUABIYUEP-UHFFFAOYSA-N 1 0 338.430 -2.264 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603808 786199785 /nfs/dbraw/zinc/19/97/85/786199785.db2.gz NPDHBUWDNNJESX-LLVKDONJSA-N 1 0 336.458 -1.256 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603812 786199897 /nfs/dbraw/zinc/19/98/97/786199897.db2.gz NPDHBUWDNNJESX-NSHDSACASA-N 1 0 336.458 -1.256 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)no1 ZINC001128603840 786200001 /nfs/dbraw/zinc/20/00/01/786200001.db2.gz OFRYPFZIFPZXKU-UHFFFAOYSA-N 1 0 347.397 -1.481 20 0 EAADRO CN(CC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)S(C)(=O)=O ZINC001128603842 786199845 /nfs/dbraw/zinc/19/98/45/786199845.db2.gz OHJQOORZDPWGKA-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CN(CC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)S(C)(=O)=O ZINC001128603845 786199667 /nfs/dbraw/zinc/19/96/67/786199667.db2.gz OHJQOORZDPWGKA-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001128603850 786200013 /nfs/dbraw/zinc/20/00/13/786200013.db2.gz OKIOSOKOVIUCCL-JTQLQIEISA-N 1 0 341.455 -1.934 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001128603851 786199997 /nfs/dbraw/zinc/19/99/97/786199997.db2.gz OKIOSOKOVIUCCL-SNVBAGLBSA-N 1 0 341.455 -1.934 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)S(C)(=O)=O ZINC001128603855 786199355 /nfs/dbraw/zinc/19/93/55/786199355.db2.gz OLGIXMXLXVWOOC-UHFFFAOYSA-N 1 0 349.413 -3.458 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001128603869 786200024 /nfs/dbraw/zinc/20/00/24/786200024.db2.gz OONIVXIARCTHNA-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001128603870 786200008 /nfs/dbraw/zinc/20/00/08/786200008.db2.gz OONIVXIARCTHNA-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)S(C)(=O)=O ZINC001128603918 786199801 /nfs/dbraw/zinc/19/98/01/786199801.db2.gz PMOFWUQKCLHPLA-UHFFFAOYSA-N 1 0 349.413 -2.428 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128604237 786199301 /nfs/dbraw/zinc/19/93/01/786199301.db2.gz SQUQVRRERLKZIB-UHFFFAOYSA-N 1 0 349.413 -3.410 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)N1CCCCCC1)S(C)(=O)=O ZINC001128604240 786199999 /nfs/dbraw/zinc/19/99/99/786199999.db2.gz SUAMDIJIONBYRU-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001128604259 786199748 /nfs/dbraw/zinc/19/97/48/786199748.db2.gz UCLWOPVMAZOVRS-UHFFFAOYSA-N 1 0 342.421 -1.069 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)N1CCOCC1)S(C)(=O)=O ZINC001128604301 786199776 /nfs/dbraw/zinc/19/97/76/786199776.db2.gz UWJUNKAUQRVXIP-UHFFFAOYSA-N 1 0 336.414 -2.558 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)n1 ZINC001128604308 786199382 /nfs/dbraw/zinc/19/93/82/786199382.db2.gz VBKYXWPDNQLUAK-UHFFFAOYSA-N 1 0 332.430 -1.508 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCNS(C)(=O)=O)S(C)(=O)=O ZINC001128604330 786200006 /nfs/dbraw/zinc/20/00/06/786200006.db2.gz VPJXWLPDFPASGG-UHFFFAOYSA-N 1 0 344.459 -2.477 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128604337 786199905 /nfs/dbraw/zinc/19/99/05/786199905.db2.gz VRPNODUSGCHLEN-UHFFFAOYSA-N 1 0 337.446 -1.709 20 0 EAADRO CN(CC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)S(C)(=O)=O ZINC001128604351 786199699 /nfs/dbraw/zinc/19/96/99/786199699.db2.gz VZEPFVDFYXOKLZ-MRVPVSSYSA-N 1 0 335.348 -1.103 20 0 EAADRO CN(CC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)S(C)(=O)=O ZINC001128604352 786199627 /nfs/dbraw/zinc/19/96/27/786199627.db2.gz VZEPFVDFYXOKLZ-QMMMGPOBSA-N 1 0 335.348 -1.103 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)Nc1nccs1)S(C)(=O)=O ZINC001128604359 786199713 /nfs/dbraw/zinc/19/97/13/786199713.db2.gz WJWTXFGVKJXFJT-UHFFFAOYSA-N 1 0 349.438 -1.321 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CCNS(C)(=O)=O)no1 ZINC001128604379 786199527 /nfs/dbraw/zinc/19/95/27/786199527.db2.gz WZYIHVXPCRIWHO-UHFFFAOYSA-N 1 0 347.397 -1.433 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)n1 ZINC001128604380 786200019 /nfs/dbraw/zinc/20/00/19/786200019.db2.gz XAYMGSBCYYYFRT-UHFFFAOYSA-N 1 0 331.398 -1.418 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128604403 786199861 /nfs/dbraw/zinc/19/98/61/786199861.db2.gz YEJMDCWGBKDDJI-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)c(C)n1 ZINC001128604412 786199430 /nfs/dbraw/zinc/19/94/30/786199430.db2.gz 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CCN1C[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC1=O ZINC001128650975 786206998 /nfs/dbraw/zinc/20/69/98/786206998.db2.gz QAVMUOSLGQCQAV-LBPRGKRZSA-N 1 0 346.453 -1.404 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001128651006 786207243 /nfs/dbraw/zinc/20/72/43/786207243.db2.gz QORZWOUGTLKOME-CYBMUJFWSA-N 1 0 331.413 -1.150 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001128651008 786207340 /nfs/dbraw/zinc/20/73/40/786207340.db2.gz QORZWOUGTLKOME-ZDUSSCGKSA-N 1 0 331.413 -1.150 20 0 EAADRO CCN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)CC1=O ZINC001128651097 786207222 /nfs/dbraw/zinc/20/72/22/786207222.db2.gz SFXZPDCDXRRHHY-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)CC1=O ZINC001128651099 786206879 /nfs/dbraw/zinc/20/68/79/786206879.db2.gz SFXZPDCDXRRHHY-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO CCN1C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC1=O ZINC001128651109 786206958 /nfs/dbraw/zinc/20/69/58/786206958.db2.gz 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ZINC001128651530 786206951 /nfs/dbraw/zinc/20/69/51/786206951.db2.gz VSXZYPHVDBWLDR-CYBMUJFWSA-N 1 0 340.424 -1.191 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)CC1=O ZINC001128651531 786207363 /nfs/dbraw/zinc/20/73/63/786207363.db2.gz VSXZYPHVDBWLDR-ZDUSSCGKSA-N 1 0 340.424 -1.191 20 0 EAADRO CCN1C[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)CC1=O ZINC001128651572 786207483 /nfs/dbraw/zinc/20/74/83/786207483.db2.gz WWROIEPPNWRCQR-CYBMUJFWSA-N 1 0 328.413 -1.287 20 0 EAADRO CCN1C[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)CC1=O ZINC001128651573 786207440 /nfs/dbraw/zinc/20/74/40/786207440.db2.gz WWROIEPPNWRCQR-ZDUSSCGKSA-N 1 0 328.413 -1.287 20 0 EAADRO COCCN1C[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)CC1=O ZINC001128651928 786206904 /nfs/dbraw/zinc/20/69/04/786206904.db2.gz XXFWLQCJGFNFSU-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO COCCN1C[C@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)CC1=O ZINC001128651929 786206873 /nfs/dbraw/zinc/20/68/73/786206873.db2.gz XXFWLQCJGFNFSU-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)CC1=O ZINC001128651930 786206916 /nfs/dbraw/zinc/20/69/16/786206916.db2.gz XXFWLQCJGFNFSU-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)CC1=O ZINC001128651931 786207551 /nfs/dbraw/zinc/20/75/51/786207551.db2.gz XXFWLQCJGFNFSU-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CCN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1=O ZINC001128651958 786206860 /nfs/dbraw/zinc/20/68/60/786206860.db2.gz YIJHRAGJNZGCKV-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CCN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1=O ZINC001128651959 786206943 /nfs/dbraw/zinc/20/69/43/786206943.db2.gz YIJHRAGJNZGCKV-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1=O ZINC001128651960 786207189 /nfs/dbraw/zinc/20/71/89/786207189.db2.gz YIJHRAGJNZGCKV-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1=O ZINC001128651961 786207157 /nfs/dbraw/zinc/20/71/57/786207157.db2.gz YIJHRAGJNZGCKV-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO COCCN1C[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC1=O ZINC001128652032 786206769 /nfs/dbraw/zinc/20/67/69/786206769.db2.gz ZRWTXMJCYFRKRS-LLVKDONJSA-N 1 0 335.426 -1.768 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC1=O ZINC001128652034 786207041 /nfs/dbraw/zinc/20/70/41/786207041.db2.gz ZRWTXMJCYFRKRS-NSHDSACASA-N 1 0 335.426 -1.768 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001128652042 786207068 /nfs/dbraw/zinc/20/70/68/786207068.db2.gz ZWBWMQCNPDHNCG-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001128652044 786207559 /nfs/dbraw/zinc/20/75/59/786207559.db2.gz ZWBWMQCNPDHNCG-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128652685 786207096 /nfs/dbraw/zinc/20/70/96/786207096.db2.gz PIMGISOROZXKBE-UPJWGTAASA-N 1 0 327.385 -1.337 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128652686 786207104 /nfs/dbraw/zinc/20/71/04/786207104.db2.gz PIMGISOROZXKBE-XQQFMLRXSA-N 1 0 327.385 -1.337 20 0 EAADRO COCCN1C[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)CC1=O ZINC001128656389 786205217 /nfs/dbraw/zinc/20/52/17/786205217.db2.gz AVIRUENILCQWKY-GFCCVEGCSA-N 1 0 341.412 -1.788 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)CC1=O ZINC001128656390 786205241 /nfs/dbraw/zinc/20/52/41/786205241.db2.gz AVIRUENILCQWKY-LBPRGKRZSA-N 1 0 341.412 -1.788 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC2CC2)CC1=O ZINC001128656409 786205133 /nfs/dbraw/zinc/20/51/33/786205133.db2.gz BRWKJXSCOQKYSV-NEPJUHHUSA-N 1 0 340.424 -1.146 20 0 EAADRO COCCN1C[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC2CC2)CC1=O ZINC001128656410 786205187 /nfs/dbraw/zinc/20/51/87/786205187.db2.gz BRWKJXSCOQKYSV-NWDGAFQWSA-N 1 0 340.424 -1.146 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC2CC2)CC1=O ZINC001128656411 786205273 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COCCN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC(C)C)CC1=O ZINC001128657203 786207594 /nfs/dbraw/zinc/20/75/94/786207594.db2.gz JSYSDPNEWIPLTH-CYBMUJFWSA-N 1 0 342.440 -1.041 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(C)C)CC1=O ZINC001128657205 786206992 /nfs/dbraw/zinc/20/69/92/786206992.db2.gz JSYSDPNEWIPLTH-ZDUSSCGKSA-N 1 0 342.440 -1.041 20 0 EAADRO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001128657252 786206718 /nfs/dbraw/zinc/20/67/18/786206718.db2.gz PULLDBGQIVAXNI-UPJWGTAASA-N 1 0 349.399 -1.533 20 0 EAADRO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001128657253 786207318 /nfs/dbraw/zinc/20/73/18/786207318.db2.gz PULLDBGQIVAXNI-XQQFMLRXSA-N 1 0 349.399 -1.533 20 0 EAADRO CC(C)(C)N1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001128657445 786207117 /nfs/dbraw/zinc/20/71/17/786207117.db2.gz LMALYLISKYDONZ-SECBINFHSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(C)(C)N1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001128657447 786207542 /nfs/dbraw/zinc/20/75/42/786207542.db2.gz LMALYLISKYDONZ-VIFPVBQESA-N 1 0 327.385 -1.466 20 0 EAADRO COCCN1C[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC1=O ZINC001128657503 786207578 /nfs/dbraw/zinc/20/75/78/786207578.db2.gz MILYFKWWTIZHHP-NEPJUHHUSA-N 1 0 326.397 -1.582 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC1=O ZINC001128657505 786206967 /nfs/dbraw/zinc/20/69/67/786206967.db2.gz MILYFKWWTIZHHP-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO COCCN1C[C@@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC1=O ZINC001128657507 786206981 /nfs/dbraw/zinc/20/69/81/786206981.db2.gz MILYFKWWTIZHHP-RYUDHWBXSA-N 1 0 326.397 -1.582 20 0 EAADRO COCCN1C[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC1=O ZINC001128657509 786207278 /nfs/dbraw/zinc/20/72/78/786207278.db2.gz MILYFKWWTIZHHP-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO COCCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001128657580 786207453 /nfs/dbraw/zinc/20/74/53/786207453.db2.gz WULLRMNFGTXCLN-NEPJUHHUSA-N 1 0 335.372 -1.657 20 0 EAADRO 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Cn1ccc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)cc1=O ZINC001128763522 786215786 /nfs/dbraw/zinc/21/57/86/786215786.db2.gz BMFGULFJQBNWNC-UHFFFAOYSA-N 1 0 347.375 -1.848 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCC[NH2+]CCS(C)(=O)=O)c1=O ZINC001128763603 786215799 /nfs/dbraw/zinc/21/57/99/786215799.db2.gz CUUATXLZZCVYRN-UHFFFAOYSA-N 1 0 332.382 -2.703 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)c1=O ZINC001128763616 786215835 /nfs/dbraw/zinc/21/58/35/786215835.db2.gz DLJBHGPYUKSGQC-SECBINFHSA-N 1 0 337.336 -2.942 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c1=O ZINC001128763617 786215580 /nfs/dbraw/zinc/21/55/80/786215580.db2.gz DLJBHGPYUKSGQC-VIFPVBQESA-N 1 0 337.336 -2.942 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)nn1 ZINC001128763631 786215666 /nfs/dbraw/zinc/21/56/66/786215666.db2.gz DYSPIZSMBJDMQR-UHFFFAOYSA-N 1 0 348.363 -1.748 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC001128763636 786215610 /nfs/dbraw/zinc/21/56/10/786215610.db2.gz 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Cn1c(=O)ccn(CC(=O)NCC[NH2+]CCN2CCCC2=O)c1=O ZINC001128769565 786216384 /nfs/dbraw/zinc/21/63/84/786216384.db2.gz UPWIYJXBIMZRHC-UHFFFAOYSA-N 1 0 337.380 -2.125 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)c1=O ZINC001128769685 786216868 /nfs/dbraw/zinc/21/68/68/786216868.db2.gz VSFDWAHTXDNNMX-UHFFFAOYSA-N 1 0 347.397 -3.198 20 0 EAADRO Cc1cnc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)cn1 ZINC001128769741 786216806 /nfs/dbraw/zinc/21/68/06/786216806.db2.gz YSVYDCHJMLHLGX-UHFFFAOYSA-N 1 0 332.364 -1.449 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)NC1CC1 ZINC001128769748 786216820 /nfs/dbraw/zinc/21/68/20/786216820.db2.gz YXEXUNPOLPKEGK-JTQLQIEISA-N 1 0 337.380 -2.080 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)NC1CC1 ZINC001128769749 786216968 /nfs/dbraw/zinc/21/69/68/786216968.db2.gz YXEXUNPOLPKEGK-SNVBAGLBSA-N 1 0 337.380 -2.080 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001128780858 786217416 /nfs/dbraw/zinc/21/74/16/786217416.db2.gz ZRUCXIJXOCYEQG-LOWDOPEQSA-N 1 0 327.385 -1.338 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001128780859 786217987 /nfs/dbraw/zinc/21/79/87/786217987.db2.gz ZRUCXIJXOCYEQG-LPWJVIDDSA-N 1 0 327.385 -1.338 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001128780860 786217918 /nfs/dbraw/zinc/21/79/18/786217918.db2.gz ZRUCXIJXOCYEQG-RVMXOQNASA-N 1 0 327.385 -1.338 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001128780861 786217273 /nfs/dbraw/zinc/21/72/73/786217273.db2.gz ZRUCXIJXOCYEQG-XQHKEYJVSA-N 1 0 327.385 -1.338 20 0 EAADRO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128784723 786218771 /nfs/dbraw/zinc/21/87/71/786218771.db2.gz FVFARQGWIPJZQL-OLZOCXBDSA-N 1 0 338.412 -1.082 20 0 EAADRO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128785185 786218925 /nfs/dbraw/zinc/21/89/25/786218925.db2.gz IWUPLZUEJILLOA-UPJWGTAASA-N 1 0 338.412 -1.083 20 0 EAADRO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128785187 786218905 /nfs/dbraw/zinc/21/89/05/786218905.db2.gz IWUPLZUEJILLOA-XQQFMLRXSA-N 1 0 338.412 -1.083 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001128788989 786218881 /nfs/dbraw/zinc/21/88/81/786218881.db2.gz BYJYRNZBMIMVIQ-GFCCVEGCSA-N 1 0 341.412 -1.741 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001128788991 786219463 /nfs/dbraw/zinc/21/94/63/786219463.db2.gz BYJYRNZBMIMVIQ-LBPRGKRZSA-N 1 0 341.412 -1.741 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001128789059 786219929 /nfs/dbraw/zinc/21/99/29/786219929.db2.gz DERLYBJQDLTVNF-UHFFFAOYSA-N 1 0 329.386 -1.580 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001128789393 786219583 /nfs/dbraw/zinc/21/95/83/786219583.db2.gz FVXBMZWJKCTAFV-UHFFFAOYSA-N 1 0 325.413 -1.074 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001128789548 786219569 /nfs/dbraw/zinc/21/95/69/786219569.db2.gz KDWQUGMHDHEXFZ-UHFFFAOYSA-N 1 0 344.416 -2.348 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001128790162 786219783 /nfs/dbraw/zinc/21/97/83/786219783.db2.gz QXTORKUYKGNHOT-UHFFFAOYSA-N 1 0 342.400 -1.610 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001128790225 786219382 /nfs/dbraw/zinc/21/93/82/786219382.db2.gz SJFAOFNFFBKAHM-SECBINFHSA-N 1 0 344.416 -1.366 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001128790227 786219581 /nfs/dbraw/zinc/21/95/81/786219581.db2.gz SJFAOFNFFBKAHM-VIFPVBQESA-N 1 0 344.416 -1.366 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001128790567 786219853 /nfs/dbraw/zinc/21/98/53/786219853.db2.gz XLSKSLBNCRWAHK-UHFFFAOYSA-N 1 0 327.307 -1.310 20 0 EAADRO CCNC(=O)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128794401 786219521 /nfs/dbraw/zinc/21/95/21/786219521.db2.gz PSUBWRZHQJNHRZ-OLZOCXBDSA-N 1 0 338.412 -1.082 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001128794809 786219663 /nfs/dbraw/zinc/21/96/63/786219663.db2.gz ANUKTCMWCOJRAD-UHFFFAOYSA-N 1 0 330.389 -1.755 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001128794813 786219650 /nfs/dbraw/zinc/21/96/50/786219650.db2.gz ATABRPFEJCZIII-MRVPVSSYSA-N 1 0 339.318 -1.216 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001128794814 786219837 /nfs/dbraw/zinc/21/98/37/786219837.db2.gz ATABRPFEJCZIII-QMMMGPOBSA-N 1 0 339.318 -1.216 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001128794869 786219695 /nfs/dbraw/zinc/21/96/95/786219695.db2.gz CVWUXQIECATYNP-UHFFFAOYSA-N 1 0 339.400 -1.987 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NCCc1ccccc1 ZINC001128794870 786219314 /nfs/dbraw/zinc/21/93/14/786219314.db2.gz CWAJSBJGGVEADV-UHFFFAOYSA-N 1 0 335.408 -1.020 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001128794880 786219443 /nfs/dbraw/zinc/21/94/43/786219443.db2.gz DOMONXHRINIPGC-LLVKDONJSA-N 1 0 332.401 -1.822 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001128794881 786219713 /nfs/dbraw/zinc/21/97/13/786219713.db2.gz DOMONXHRINIPGC-NSHDSACASA-N 1 0 332.401 -1.822 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001128794887 786219845 /nfs/dbraw/zinc/21/98/45/786219845.db2.gz DWQALILNVRJRPD-JTQLQIEISA-N 1 0 337.384 -1.840 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001128794888 786219659 /nfs/dbraw/zinc/21/96/59/786219659.db2.gz DWQALILNVRJRPD-SNVBAGLBSA-N 1 0 337.384 -1.840 20 0 EAADRO CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)CNC(=O)NC ZINC001128795007 786219623 /nfs/dbraw/zinc/21/96/23/786219623.db2.gz FSMWEXCODUEWDC-UHFFFAOYSA-N 1 0 339.400 -1.134 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001128795018 786219450 /nfs/dbraw/zinc/21/94/50/786219450.db2.gz GDCSYCJFIOANQK-SECBINFHSA-N 1 0 329.357 -2.869 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001128795019 786219615 /nfs/dbraw/zinc/21/96/15/786219615.db2.gz GDCSYCJFIOANQK-VIFPVBQESA-N 1 0 329.357 -2.869 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001128795032 786219824 /nfs/dbraw/zinc/21/98/24/786219824.db2.gz GYLSIIMHFQXPMH-LLVKDONJSA-N 1 0 337.384 -1.840 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001128795033 786219797 /nfs/dbraw/zinc/21/97/97/786219797.db2.gz GYLSIIMHFQXPMH-NSHDSACASA-N 1 0 337.384 -1.840 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)c1nccs1 ZINC001128795057 786219549 /nfs/dbraw/zinc/21/95/49/786219549.db2.gz IBKZGEWCNRLTRM-UHFFFAOYSA-N 1 0 328.398 -1.259 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001128795084 786219395 /nfs/dbraw/zinc/21/93/95/786219395.db2.gz IXORLGBKXASVPS-UHFFFAOYSA-N 1 0 330.389 -1.897 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001128795299 786219679 /nfs/dbraw/zinc/21/96/79/786219679.db2.gz JWIBVHXJPVNSKS-GHMZBOCLSA-N 1 0 329.401 -1.743 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001128795302 786219700 /nfs/dbraw/zinc/21/97/00/786219700.db2.gz JWIBVHXJPVNSKS-PHIMTYICSA-N 1 0 329.401 -1.743 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001128795303 786219691 /nfs/dbraw/zinc/21/96/91/786219691.db2.gz JWIBVHXJPVNSKS-QWRGUYRKSA-N 1 0 329.401 -1.743 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001128795381 786219904 /nfs/dbraw/zinc/21/99/04/786219904.db2.gz NANKQMYJIJGFMN-UHFFFAOYSA-N 1 0 342.400 -2.688 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NCc1cccs1 ZINC001128795703 786219730 /nfs/dbraw/zinc/21/97/30/786219730.db2.gz SAPFAMQWSPFREP-UHFFFAOYSA-N 1 0 327.410 -1.001 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001128795757 786219738 /nfs/dbraw/zinc/21/97/38/786219738.db2.gz UOUBYSLBOFJAPR-MRVPVSSYSA-N 1 0 330.307 -1.439 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001128795758 786219973 /nfs/dbraw/zinc/21/99/73/786219973.db2.gz UOUBYSLBOFJAPR-QMMMGPOBSA-N 1 0 330.307 -1.439 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC001128795774 786219257 /nfs/dbraw/zinc/21/92/57/786219257.db2.gz UVQMRJNARWFGEX-UHFFFAOYSA-N 1 0 347.375 -1.083 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001128795788 786219708 /nfs/dbraw/zinc/21/97/08/786219708.db2.gz VAXXADAOGKOOKH-UHFFFAOYSA-N 1 0 342.400 -2.655 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001128795804 786219917 /nfs/dbraw/zinc/21/99/17/786219917.db2.gz VHZRCXUYSNFSSA-UHFFFAOYSA-N 1 0 338.430 -1.928 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001128796053 786219751 /nfs/dbraw/zinc/21/97/51/786219751.db2.gz YNWOHQNAWBADGR-JTQLQIEISA-N 1 0 335.430 -2.097 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001128796054 786219717 /nfs/dbraw/zinc/21/97/17/786219717.db2.gz YNWOHQNAWBADGR-SNVBAGLBSA-N 1 0 335.430 -2.097 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001128796063 786219613 /nfs/dbraw/zinc/21/96/13/786219613.db2.gz ZEJLNLUBJUOZLH-UHFFFAOYSA-N 1 0 326.405 -1.395 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001128796070 786219805 /nfs/dbraw/zinc/21/98/05/786219805.db2.gz ZNVSUGXTIQFLHK-UHFFFAOYSA-N 1 0 327.307 -1.358 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001128799535 786219557 /nfs/dbraw/zinc/21/95/57/786219557.db2.gz ARVIECKVIWKDLE-LLVKDONJSA-N 1 0 328.369 -1.208 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001128799538 786220919 /nfs/dbraw/zinc/22/09/19/786220919.db2.gz ARVIECKVIWKDLE-NSHDSACASA-N 1 0 328.369 -1.208 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128799541 786220434 /nfs/dbraw/zinc/22/04/34/786220434.db2.gz ATGIQENTVSIAKK-LLVKDONJSA-N 1 0 331.417 -1.448 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128799542 786220985 /nfs/dbraw/zinc/22/09/85/786220985.db2.gz ATGIQENTVSIAKK-NSHDSACASA-N 1 0 331.417 -1.448 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001128799600 786220959 /nfs/dbraw/zinc/22/09/59/786220959.db2.gz CABOVHGOTIZRMH-JTQLQIEISA-N 1 0 344.416 -1.509 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001128799603 786220688 /nfs/dbraw/zinc/22/06/88/786220688.db2.gz CABOVHGOTIZRMH-SNVBAGLBSA-N 1 0 344.416 -1.509 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001128799645 786220700 /nfs/dbraw/zinc/22/07/00/786220700.db2.gz DHRLDGQLVVETGA-MRVPVSSYSA-N 1 0 328.373 -2.002 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001128799646 786220338 /nfs/dbraw/zinc/22/03/38/786220338.db2.gz DHRLDGQLVVETGA-QMMMGPOBSA-N 1 0 328.373 -2.002 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NCCCOC(C)C ZINC001128799702 786220318 /nfs/dbraw/zinc/22/03/18/786220318.db2.gz FDPJNRRSDDPUQB-UHFFFAOYSA-N 1 0 331.417 -1.448 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CNC(=O)NC ZINC001128799710 786220358 /nfs/dbraw/zinc/22/03/58/786220358.db2.gz FNIOJFSDHOXHRE-UHFFFAOYSA-N 1 0 344.416 -2.394 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC001128799735 786220385 /nfs/dbraw/zinc/22/03/85/786220385.db2.gz GGRKEXAYPMWOMT-UHFFFAOYSA-N 1 0 325.373 -1.400 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)NC ZINC001128799744 786220315 /nfs/dbraw/zinc/22/03/15/786220315.db2.gz GSKXPPBEJCWPLJ-UHFFFAOYSA-N 1 0 330.389 -1.753 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001128799787 786220304 /nfs/dbraw/zinc/22/03/04/786220304.db2.gz IWHFYYSEKFTQEJ-SSDOTTSWSA-N 1 0 327.307 -1.312 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001128799788 786220398 /nfs/dbraw/zinc/22/03/98/786220398.db2.gz IWHFYYSEKFTQEJ-ZETCQYMHSA-N 1 0 327.307 -1.312 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001128799793 786220275 /nfs/dbraw/zinc/22/02/75/786220275.db2.gz JCWCVWZFYONBBZ-UHFFFAOYSA-N 1 0 326.357 -2.781 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001128799901 786220510 /nfs/dbraw/zinc/22/05/10/786220510.db2.gz JOWQUIJNUNFBHS-UHFFFAOYSA-N 1 0 325.373 -1.698 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001128799966 786220838 /nfs/dbraw/zinc/22/08/38/786220838.db2.gz MAAHVMMRHIRPFV-SECBINFHSA-N 1 0 330.389 -1.756 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001128799967 786220310 /nfs/dbraw/zinc/22/03/10/786220310.db2.gz MAAHVMMRHIRPFV-VIFPVBQESA-N 1 0 330.389 -1.756 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001128799975 786220628 /nfs/dbraw/zinc/22/06/28/786220628.db2.gz MGCWCBMANDEOCY-UHFFFAOYSA-N 1 0 325.369 -1.127 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC001128800107 786220374 /nfs/dbraw/zinc/22/03/74/786220374.db2.gz NOOKYESHGHHGFG-JTQLQIEISA-N 1 0 325.369 -1.081 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC001128800108 786220555 /nfs/dbraw/zinc/22/05/55/786220555.db2.gz NOOKYESHGHHGFG-SNVBAGLBSA-N 1 0 325.369 -1.081 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001128800427 786220350 /nfs/dbraw/zinc/22/03/50/786220350.db2.gz RWDRPVDMHUQJFB-JTQLQIEISA-N 1 0 342.400 -2.655 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001128800428 786220795 /nfs/dbraw/zinc/22/07/95/786220795.db2.gz RWDRPVDMHUQJFB-SNVBAGLBSA-N 1 0 342.400 -2.655 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1c(C)nn(C)c1C ZINC001128800464 786220732 /nfs/dbraw/zinc/22/07/32/786220732.db2.gz UDYGGMXTBDFXPM-UHFFFAOYSA-N 1 0 339.400 -1.390 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001128800615 786220622 /nfs/dbraw/zinc/22/06/22/786220622.db2.gz WMPDDXDLFJZEEC-NEPJUHHUSA-N 1 0 332.401 -1.822 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001128800616 786220308 /nfs/dbraw/zinc/22/03/08/786220308.db2.gz WMPDDXDLFJZEEC-NWDGAFQWSA-N 1 0 332.401 -1.822 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001128800617 786220444 /nfs/dbraw/zinc/22/04/44/786220444.db2.gz WMPDDXDLFJZEEC-RYUDHWBXSA-N 1 0 332.401 -1.822 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001128800618 786220822 /nfs/dbraw/zinc/22/08/22/786220822.db2.gz WMPDDXDLFJZEEC-VXGBXAGGSA-N 1 0 332.401 -1.822 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001128800660 786220595 /nfs/dbraw/zinc/22/05/95/786220595.db2.gz YEYFIPZZUFIGEG-GHMZBOCLSA-N 1 0 329.401 -1.695 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001128800662 786220327 /nfs/dbraw/zinc/22/03/27/786220327.db2.gz YEYFIPZZUFIGEG-MNOVXSKESA-N 1 0 329.401 -1.695 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001128800664 786220967 /nfs/dbraw/zinc/22/09/67/786220967.db2.gz YEYFIPZZUFIGEG-QWRGUYRKSA-N 1 0 329.401 -1.695 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001128800665 786220572 /nfs/dbraw/zinc/22/05/72/786220572.db2.gz YEYFIPZZUFIGEG-WDEREUQCSA-N 1 0 329.401 -1.695 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001128804929 786220331 /nfs/dbraw/zinc/22/03/31/786220331.db2.gz CMWUSJJDYUBQCX-SECBINFHSA-N 1 0 330.389 -2.786 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001128804930 786220405 /nfs/dbraw/zinc/22/04/05/786220405.db2.gz CMWUSJJDYUBQCX-VIFPVBQESA-N 1 0 330.389 -2.786 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001128804937 786220379 /nfs/dbraw/zinc/22/03/79/786220379.db2.gz DBBNYNJTTMYUQK-UHFFFAOYSA-N 1 0 342.400 -1.658 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001128804963 786220279 /nfs/dbraw/zinc/22/02/79/786220279.db2.gz FGDPTFMTMQULIX-SECBINFHSA-N 1 0 346.388 -2.518 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001128804964 786220777 /nfs/dbraw/zinc/22/07/77/786220777.db2.gz FGDPTFMTMQULIX-VIFPVBQESA-N 1 0 346.388 -2.518 20 0 EAADRO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)Nc1cc(C)no1 ZINC001128805550 786220321 /nfs/dbraw/zinc/22/03/21/786220321.db2.gz TYXWGKALDAGQEN-SECBINFHSA-N 1 0 326.357 -1.055 20 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AFYISROYPPWUHA-UHFFFAOYSA-N 1 0 332.426 -1.652 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128813735 786221763 /nfs/dbraw/zinc/22/17/63/786221763.db2.gz CBHRBLHNKNXRTP-UHFFFAOYSA-N 1 0 349.413 -2.427 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128813875 786221807 /nfs/dbraw/zinc/22/18/07/786221807.db2.gz GYUAEJSXDDELAW-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128813891 786222109 /nfs/dbraw/zinc/22/21/09/786222109.db2.gz HFUANKSBPBJKEO-UHFFFAOYSA-N 1 0 344.441 -1.152 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814053 786221591 /nfs/dbraw/zinc/22/15/91/786221591.db2.gz KOODYXWYKJSESP-UHFFFAOYSA-N 1 0 330.414 -1.461 20 0 EAADRO O=C(CN1CCCS1(=O)=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128814059 786221963 /nfs/dbraw/zinc/22/19/63/786221963.db2.gz KTXUTBQVQPCSDQ-UHFFFAOYSA-N 1 0 348.425 -2.414 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814167 786222137 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CN1CCC[C@H]([NH2+]CCNC(=O)CN2CCCS2(=O)=O)C1=O ZINC001128814324 786221880 /nfs/dbraw/zinc/22/18/80/786221880.db2.gz OFFXGRXHHYGTPJ-NSHDSACASA-N 1 0 332.426 -1.652 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814326 786221920 /nfs/dbraw/zinc/22/19/20/786221920.db2.gz OFKQOYBSXZWLPN-UHFFFAOYSA-N 1 0 329.426 -1.296 20 0 EAADRO O=C(CN1CCCS1(=O)=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001128814340 786221386 /nfs/dbraw/zinc/22/13/86/786221386.db2.gz OOENWSVIVAHEQE-UHFFFAOYSA-N 1 0 346.453 -1.260 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814367 786221441 /nfs/dbraw/zinc/22/14/41/786221441.db2.gz PAAKVWZYRIRMCQ-UHFFFAOYSA-N 1 0 335.386 -2.817 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814438 786221413 /nfs/dbraw/zinc/22/14/13/786221413.db2.gz QBFXFPXRSSXXQM-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CN2CCCS2(=O)=O)nn1 ZINC001128814473 786222103 /nfs/dbraw/zinc/22/21/03/786222103.db2.gz RAXSFVWEZFSILF-UHFFFAOYSA-N 1 0 343.409 -1.274 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814497 786222031 /nfs/dbraw/zinc/22/20/31/786222031.db2.gz RPYKAAUNULDALE-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)CN2CCCS2(=O)=O)n1 ZINC001128814518 786222047 /nfs/dbraw/zinc/22/20/47/786222047.db2.gz SCWQYYXVVKCJCW-UHFFFAOYSA-N 1 0 343.409 -1.274 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814527 786221455 /nfs/dbraw/zinc/22/14/55/786221455.db2.gz SINBRWQMKMAHLD-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814528 786222081 /nfs/dbraw/zinc/22/20/81/786222081.db2.gz SINBRWQMKMAHLD-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO Cn1cc(CC[NH2+]CCNC(=O)CN2CCCS2(=O)=O)cn1 ZINC001128814535 786222132 /nfs/dbraw/zinc/22/21/32/786222132.db2.gz SLZJYSJIRSJOBO-UHFFFAOYSA-N 1 0 329.426 -1.296 20 0 EAADRO O=C(CN1CCCS1(=O)=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001128814537 786222063 /nfs/dbraw/zinc/22/20/63/786222063.db2.gz 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349.391 -1.341 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cc2n(n1)CCC2 ZINC001128908708 786232668 /nfs/dbraw/zinc/23/26/68/786232668.db2.gz GPXZSVQLRYJCKT-LBPRGKRZSA-N 1 0 349.391 -1.341 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2cc3n(n2)CCC3)n(C)c1=O ZINC001128909450 786233471 /nfs/dbraw/zinc/23/34/71/786233471.db2.gz QAUZQBFCRGTSSI-UHFFFAOYSA-N 1 0 346.391 -1.254 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(-c2cccnc2)nn1 ZINC001128914636 786235036 /nfs/dbraw/zinc/23/50/36/786235036.db2.gz GQOMSZGJSKUJQX-UHFFFAOYSA-N 1 0 332.324 -1.823 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(-c2cccnc2)nn1 ZINC001128915073 786232709 /nfs/dbraw/zinc/23/27/09/786232709.db2.gz SFWCYQLEGDWTLX-UHFFFAOYSA-N 1 0 346.351 -1.563 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(-c2cccnc2)nn1)C(=O)NC(N)=O ZINC001128915232 786233599 /nfs/dbraw/zinc/23/35/99/786233599.db2.gz VCNJZNLTTAYBEJ-SECBINFHSA-N 1 0 346.351 -1.435 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn(-c2cccnc2)nn1)C(=O)NC(N)=O ZINC001128915233 786233140 /nfs/dbraw/zinc/23/31/40/786233140.db2.gz VCNJZNLTTAYBEJ-VIFPVBQESA-N 1 0 346.351 -1.435 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cn(-c2cccnc2)nn1 ZINC001128915333 786233648 /nfs/dbraw/zinc/23/36/48/786233648.db2.gz YNELFGCVONJZLT-LLVKDONJSA-N 1 0 343.347 -1.213 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cn(-c2cccnc2)nn1 ZINC001128915339 786232718 /nfs/dbraw/zinc/23/27/18/786232718.db2.gz YNELFGCVONJZLT-NSHDSACASA-N 1 0 343.347 -1.213 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc(C)nc1OC ZINC001128918272 786234376 /nfs/dbraw/zinc/23/43/76/786234376.db2.gz FLZLUNSZLAKPRE-UHFFFAOYSA-N 1 0 338.368 -1.041 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc(C)nc1OC ZINC001128918903 786234123 /nfs/dbraw/zinc/23/41/23/786234123.db2.gz PXGZOHINIWQUPE-MRVPVSSYSA-N 1 0 338.368 -1.043 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc(C)nc1OC ZINC001128918904 786234442 /nfs/dbraw/zinc/23/44/42/786234442.db2.gz PXGZOHINIWQUPE-QMMMGPOBSA-N 1 0 338.368 -1.043 20 0 EAADRO COc1nc(C)ncc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128918906 786234191 /nfs/dbraw/zinc/23/41/91/786234191.db2.gz QAJKZIJCMCGGST-UHFFFAOYSA-N 1 0 331.398 -1.338 20 0 EAADRO COc1nc(C)ncc1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128918911 786234910 /nfs/dbraw/zinc/23/49/10/786234910.db2.gz QDPJSQSAMPTEOY-UHFFFAOYSA-N 1 0 337.380 -1.028 20 0 EAADRO COc1nc(C)ncc1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128919122 786234610 /nfs/dbraw/zinc/23/46/10/786234610.db2.gz WNCWUPMZKAPMMG-UHFFFAOYSA-N 1 0 336.352 -1.335 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnn2c1CCC2)N1CCNC(=O)C1 ZINC001128923035 786235361 /nfs/dbraw/zinc/23/53/61/786235361.db2.gz OWLXUGFZOVSBEJ-UHFFFAOYSA-N 1 0 334.380 -1.893 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(NC(C)=O)cn1 ZINC001128927462 786235607 /nfs/dbraw/zinc/23/56/07/786235607.db2.gz RUEFDVWXKULMCU-UHFFFAOYSA-N 1 0 336.352 -1.185 20 0 EAADRO CNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128929324 786235453 /nfs/dbraw/zinc/23/54/53/786235453.db2.gz GLCNZBDEAPWREE-UPJWGTAASA-N 1 0 338.412 -1.083 20 0 EAADRO CNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128929325 786235490 /nfs/dbraw/zinc/23/54/90/786235490.db2.gz GLCNZBDEAPWREE-XQQFMLRXSA-N 1 0 338.412 -1.083 20 0 EAADRO CC(=O)Nc1ccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)nc1 ZINC001128930517 786235663 /nfs/dbraw/zinc/23/56/63/786235663.db2.gz DPGFJBGYGVHYPV-UHFFFAOYSA-N 1 0 348.363 -1.089 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cnn2c1CCC2 ZINC001128931417 786235655 /nfs/dbraw/zinc/23/56/55/786235655.db2.gz OSGZBZQADRVVDP-LLVKDONJSA-N 1 0 349.391 -1.341 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cnn2c1CCC2 ZINC001128931418 786235933 /nfs/dbraw/zinc/23/59/33/786235933.db2.gz OSGZBZQADRVVDP-NSHDSACASA-N 1 0 349.391 -1.341 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2cnn3c2CCC3)n(C)c1=O ZINC001128931768 786235810 /nfs/dbraw/zinc/23/58/10/786235810.db2.gz UWVPROPKSLSGGY-UHFFFAOYSA-N 1 0 346.391 -1.254 20 0 EAADRO CC(=O)Nc1ccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)nc1 ZINC001128931828 786236189 /nfs/dbraw/zinc/23/61/89/786236189.db2.gz WAXGIFJFBMBWEN-UHFFFAOYSA-N 1 0 343.409 -1.091 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128934981 786236110 /nfs/dbraw/zinc/23/61/10/786236110.db2.gz HIBUIRBUBMUUGC-AXFHLTTASA-N 1 0 325.373 -1.941 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](n2ccnn2)C1 ZINC001128935012 786236124 /nfs/dbraw/zinc/23/61/24/786236124.db2.gz JAVCSLZZBJTGKO-UPJWGTAASA-N 1 0 334.384 -1.318 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](n2ccnn2)C1 ZINC001128935013 786235506 /nfs/dbraw/zinc/23/55/06/786235506.db2.gz JAVCSLZZBJTGKO-XQQFMLRXSA-N 1 0 334.384 -1.318 20 0 EAADRO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128935101 786235853 /nfs/dbraw/zinc/23/58/53/786235853.db2.gz NDSJWPGKAKQTSL-TUAOUCFPSA-N 1 0 339.400 -1.287 20 0 EAADRO CC(=O)Nc1ccc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)nc1 ZINC001128935166 786235922 /nfs/dbraw/zinc/23/59/22/786235922.db2.gz AGKDYZUCYGTCIT-MRVPVSSYSA-N 1 0 336.352 -1.057 20 0 EAADRO CC(=O)Nc1ccc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)nc1 ZINC001128935167 786235319 /nfs/dbraw/zinc/23/53/19/786235319.db2.gz AGKDYZUCYGTCIT-QMMMGPOBSA-N 1 0 336.352 -1.057 20 0 EAADRO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128935291 786235566 /nfs/dbraw/zinc/23/55/66/786235566.db2.gz SMUPJMTZOKPCMV-OLZOCXBDSA-N 1 0 334.384 -1.316 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128938983 786235392 /nfs/dbraw/zinc/23/53/92/786235392.db2.gz FLJMYQQRILRXIJ-UPJWGTAASA-N 1 0 338.412 -1.083 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128938985 786236155 /nfs/dbraw/zinc/23/61/55/786236155.db2.gz FLJMYQQRILRXIJ-XQQFMLRXSA-N 1 0 338.412 -1.083 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128939184 786235298 /nfs/dbraw/zinc/23/52/98/786235298.db2.gz JDAVAYKFOJRFTI-TUAOUCFPSA-N 1 0 340.384 -2.237 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128939185 786236067 /nfs/dbraw/zinc/23/60/67/786236067.db2.gz JDAVAYKFOJRFTI-UTUOFQBUSA-N 1 0 340.384 -2.237 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128944703 786237024 /nfs/dbraw/zinc/23/70/24/786237024.db2.gz FLZKOLUVYCBKBG-UPJWGTAASA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128944704 786237038 /nfs/dbraw/zinc/23/70/38/786237038.db2.gz FLZKOLUVYCBKBG-XQQFMLRXSA-N 1 0 336.396 -1.208 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](n2ccnn2)C1 ZINC001128944712 786237054 /nfs/dbraw/zinc/23/70/54/786237054.db2.gz FTVWXJXYWCYSGX-UPJWGTAASA-N 1 0 341.412 -1.212 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](n2ccnn2)C1 ZINC001128944713 786236742 /nfs/dbraw/zinc/23/67/42/786236742.db2.gz FTVWXJXYWCYSGX-XQQFMLRXSA-N 1 0 341.412 -1.212 20 0 EAADRO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128948658 786237368 /nfs/dbraw/zinc/23/73/68/786237368.db2.gz AHTRQMBCQNCMJT-UTUOFQBUSA-N 1 0 338.368 -1.236 20 0 EAADRO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128948662 786237529 /nfs/dbraw/zinc/23/75/29/786237529.db2.gz AHTRQMBCQNCMJT-WOPDTQHZSA-N 1 0 338.368 -1.236 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001128957740 786240234 /nfs/dbraw/zinc/24/02/34/786240234.db2.gz GHNJBHAXKYCVAU-RFQIPJPRSA-N 1 0 341.412 -1.356 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001128957841 786240128 /nfs/dbraw/zinc/24/01/28/786240128.db2.gz GHNJBHAXKYCVAU-YIYPIFLZSA-N 1 0 341.412 -1.356 20 0 EAADRO CC(C)(C)n1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)nn1 ZINC001128959497 786239304 /nfs/dbraw/zinc/23/93/04/786239304.db2.gz GJFDLCLUIRNMHV-UHFFFAOYSA-N 1 0 332.430 -1.098 20 0 EAADRO CC(C)(C)n1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001128960046 786240919 /nfs/dbraw/zinc/24/09/19/786240919.db2.gz OODREIDPUOKXOR-UHFFFAOYSA-N 1 0 337.384 -1.096 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(C(C)(C)C)nn1)C(=O)NC(N)=O ZINC001128960217 786241389 /nfs/dbraw/zinc/24/13/89/786241389.db2.gz RVCNCTXTVVSVRV-MRVPVSSYSA-N 1 0 325.373 -1.064 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn(C(C)(C)C)nn1)C(=O)NC(N)=O ZINC001128960218 786240981 /nfs/dbraw/zinc/24/09/81/786240981.db2.gz RVCNCTXTVVSVRV-QMMMGPOBSA-N 1 0 325.373 -1.064 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128961698 786240947 /nfs/dbraw/zinc/24/09/47/786240947.db2.gz GXEUMIIOWYZJEU-NEPJUHHUSA-N 1 0 339.400 -1.679 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128962111 786240652 /nfs/dbraw/zinc/24/06/52/786240652.db2.gz NZRUSWQBRXEFIK-TUAOUCFPSA-N 1 0 339.400 -1.681 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128962112 786240742 /nfs/dbraw/zinc/24/07/42/786240742.db2.gz 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786259530 /nfs/dbraw/zinc/25/95/30/786259530.db2.gz HWXCLPBCOKYFSP-UTUOFQBUSA-N 1 0 337.384 -1.663 20 0 EAADRO Cn1cnc2[nH]c(=O)cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c21 ZINC001129199517 786260296 /nfs/dbraw/zinc/26/02/96/786260296.db2.gz LDRYOEBYHSVVOL-UHFFFAOYSA-N 1 0 335.324 -1.812 20 0 EAADRO Cn1cnc2[nH]c(=O)cc(C(=O)NCC[NH2+][C@@H]3CCC(=O)NC3=O)c21 ZINC001129199796 786259678 /nfs/dbraw/zinc/25/96/78/786259678.db2.gz OSNLFGRDQLZLSR-SECBINFHSA-N 1 0 346.347 -1.202 20 0 EAADRO Cn1cnc2[nH]c(=O)cc(C(=O)NCC[NH2+][C@H]3CCC(=O)NC3=O)c21 ZINC001129199797 786260042 /nfs/dbraw/zinc/26/00/42/786260042.db2.gz OSNLFGRDQLZLSR-VIFPVBQESA-N 1 0 346.347 -1.202 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204200 786260322 /nfs/dbraw/zinc/26/03/22/786260322.db2.gz BHKHDSIVOFCMPD-OLZOCXBDSA-N 1 0 337.428 -1.293 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)cn1 ZINC001129204819 786261509 /nfs/dbraw/zinc/26/15/09/786261509.db2.gz KTLCKXQRTGXWCU-KGLIPLIRSA-N 1 0 349.395 -1.186 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129205323 786260631 /nfs/dbraw/zinc/26/06/31/786260631.db2.gz TXQSMQCMNFZWKT-BNOWGMLFSA-N 1 0 349.395 -1.187 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129205324 786260783 /nfs/dbraw/zinc/26/07/83/786260783.db2.gz TXQSMQCMNFZWKT-YUTCNCBUSA-N 1 0 349.395 -1.187 20 0 EAADRO C[C@H](C(N)=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205525 786261322 /nfs/dbraw/zinc/26/13/22/786261322.db2.gz WHQLMEYBLJUDMA-UPJWGTAASA-N 1 0 337.428 -1.165 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205527 786261388 /nfs/dbraw/zinc/26/13/88/786261388.db2.gz WHQLMEYBLJUDMA-XQQFMLRXSA-N 1 0 337.428 -1.165 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129205602 786261316 /nfs/dbraw/zinc/26/13/16/786261316.db2.gz XURKTWKMIHFYNV-MCIONIFRSA-N 1 0 349.439 -1.150 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129205603 786260791 /nfs/dbraw/zinc/26/07/91/786260791.db2.gz XURKTWKMIHFYNV-RDBSUJKOSA-N 1 0 349.439 -1.150 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cc(=O)[nH]c2ncn(C)c21)C(=O)NC(N)=O ZINC001129206610 786261000 /nfs/dbraw/zinc/26/10/00/786261000.db2.gz QQOUNXPKZITOJJ-SSDOTTSWSA-N 1 0 349.351 -1.423 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cc(=O)[nH]c2ncn(C)c21)C(=O)NC(N)=O ZINC001129206611 786261057 /nfs/dbraw/zinc/26/10/57/786261057.db2.gz QQOUNXPKZITOJJ-ZETCQYMHSA-N 1 0 349.351 -1.423 20 0 EAADRO CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129210035 786261495 /nfs/dbraw/zinc/26/14/95/786261495.db2.gz NQZDMHJDBJEHQB-AGIUHOORSA-N 1 0 336.396 -1.080 20 0 EAADRO CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129210036 786261368 /nfs/dbraw/zinc/26/13/68/786261368.db2.gz NQZDMHJDBJEHQB-FRRDWIJNSA-N 1 0 336.396 -1.080 20 0 EAADRO C[C@H](C(N)=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210340 786260602 /nfs/dbraw/zinc/26/06/02/786260602.db2.gz RJJLEILPOWPMBA-UPJWGTAASA-N 1 0 349.439 -1.165 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210341 786260994 /nfs/dbraw/zinc/26/09/94/786260994.db2.gz RJJLEILPOWPMBA-XQQFMLRXSA-N 1 0 349.439 -1.165 20 0 EAADRO COCCC[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129210377 786261170 /nfs/dbraw/zinc/26/11/70/786261170.db2.gz SIMSXVRXOUQBMI-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCOC[C@H]1OC ZINC001129212604 786261394 /nfs/dbraw/zinc/26/13/94/786261394.db2.gz DIYXRXAEEUKCDI-GHMZBOCLSA-N 1 0 330.385 -1.411 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCOC[C@@H]1OC ZINC001129212605 786261103 /nfs/dbraw/zinc/26/11/03/786261103.db2.gz DIYXRXAEEUKCDI-MNOVXSKESA-N 1 0 330.385 -1.411 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001129212606 786260611 /nfs/dbraw/zinc/26/06/11/786260611.db2.gz DIYXRXAEEUKCDI-QWRGUYRKSA-N 1 0 330.385 -1.411 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001129212607 786261123 /nfs/dbraw/zinc/26/11/23/786261123.db2.gz DIYXRXAEEUKCDI-WDEREUQCSA-N 1 0 330.385 -1.411 20 0 EAADRO CO[C@H]1COCC[C@H]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129212803 786260836 /nfs/dbraw/zinc/26/08/36/786260836.db2.gz HEUNZTQQYAOFSR-KBPBESRZSA-N 1 0 343.424 -1.007 20 0 EAADRO CO[C@H]1COCC[C@@H]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129212804 786260765 /nfs/dbraw/zinc/26/07/65/786260765.db2.gz HEUNZTQQYAOFSR-KGLIPLIRSA-N 1 0 343.424 -1.007 20 0 EAADRO CO[C@@H]1COCC[C@H]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129212805 786260879 /nfs/dbraw/zinc/26/08/79/786260879.db2.gz HEUNZTQQYAOFSR-UONOGXRCSA-N 1 0 343.424 -1.007 20 0 EAADRO CO[C@@H]1COCC[C@@H]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129212806 786260671 /nfs/dbraw/zinc/26/06/71/786260671.db2.gz HEUNZTQQYAOFSR-ZIAGYGMSSA-N 1 0 343.424 -1.007 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCOC[C@@H]1OC ZINC001129213216 786260899 /nfs/dbraw/zinc/26/08/99/786260899.db2.gz MNRFAZQLYQAKLO-NEPJUHHUSA-N 1 0 344.412 -1.021 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001129213217 786260718 /nfs/dbraw/zinc/26/07/18/786260718.db2.gz MNRFAZQLYQAKLO-NWDGAFQWSA-N 1 0 344.412 -1.021 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001129213218 786260809 /nfs/dbraw/zinc/26/08/09/786260809.db2.gz MNRFAZQLYQAKLO-RYUDHWBXSA-N 1 0 344.412 -1.021 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCOC[C@H]1OC ZINC001129213219 786261178 /nfs/dbraw/zinc/26/11/78/786261178.db2.gz MNRFAZQLYQAKLO-VXGBXAGGSA-N 1 0 344.412 -1.021 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2ncncc2C1)C(=O)NC(N)=O ZINC001129218091 786261079 /nfs/dbraw/zinc/26/10/79/786261079.db2.gz ACKLDKURLBAAQJ-NXEZZACHSA-N 1 0 334.380 -1.129 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2ncncc2C1)C(=O)NC(N)=O ZINC001129218092 786260731 /nfs/dbraw/zinc/26/07/31/786260731.db2.gz ACKLDKURLBAAQJ-UWVGGRQHSA-N 1 0 334.380 -1.129 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2ncncc2C1)C(=O)NC(N)=O ZINC001129218093 786261340 /nfs/dbraw/zinc/26/13/40/786261340.db2.gz ACKLDKURLBAAQJ-VHSXEESVSA-N 1 0 334.380 -1.129 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2ncncc2C1)C(=O)NC(N)=O ZINC001129218094 786261091 /nfs/dbraw/zinc/26/10/91/786261091.db2.gz ACKLDKURLBAAQJ-ZJUUUORDSA-N 1 0 334.380 -1.129 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001129218409 786261307 /nfs/dbraw/zinc/26/13/07/786261307.db2.gz JTUWNBXZEKUCKH-LLVKDONJSA-N 1 0 341.437 -1.164 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001129218410 786261450 /nfs/dbraw/zinc/26/14/50/786261450.db2.gz JTUWNBXZEKUCKH-NSHDSACASA-N 1 0 341.437 -1.164 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001129218517 786261224 /nfs/dbraw/zinc/26/12/24/786261224.db2.gz MIMYCRXLDHSHNB-JTQLQIEISA-N 1 0 334.380 -1.257 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001129218523 786261455 /nfs/dbraw/zinc/26/14/55/786261455.db2.gz MIMYCRXLDHSHNB-SNVBAGLBSA-N 1 0 334.380 -1.257 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCc2ncncc2C1 ZINC001129218952 786261050 /nfs/dbraw/zinc/26/10/50/786261050.db2.gz SQUAVLFJUDCGIV-LLVKDONJSA-N 1 0 346.391 -1.161 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCc2ncncc2C1 ZINC001129218953 786261112 /nfs/dbraw/zinc/26/11/12/786261112.db2.gz SQUAVLFJUDCGIV-NSHDSACASA-N 1 0 346.391 -1.161 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219303 786261161 /nfs/dbraw/zinc/26/11/61/786261161.db2.gz CZDTXAJCLZVOID-OLZOCXBDSA-N 1 0 349.439 -1.293 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129219317 786260935 /nfs/dbraw/zinc/26/09/35/786260935.db2.gz DJMISBROFSXKII-KGLIPLIRSA-N 1 0 347.427 -1.137 20 0 EAADRO CN1CC[C@@H](N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001129219675 786260854 /nfs/dbraw/zinc/26/08/54/786260854.db2.gz JDGGUKWREVCUMI-MCIONIFRSA-N 1 0 349.439 -1.198 20 0 EAADRO CN1CC[C@H](N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001129219677 786261146 /nfs/dbraw/zinc/26/11/46/786261146.db2.gz JDGGUKWREVCUMI-RDBSUJKOSA-N 1 0 349.439 -1.198 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1n1ccnn1 ZINC001129219958 786260948 /nfs/dbraw/zinc/26/09/48/786260948.db2.gz PIIUAKPGDAPXOZ-KGLIPLIRSA-N 1 0 340.428 -1.420 20 0 EAADRO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220173 786260823 /nfs/dbraw/zinc/26/08/23/786260823.db2.gz QPFSZLPZPBZQAO-AGIUHOORSA-N 1 0 337.428 -1.165 20 0 EAADRO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220176 786261214 /nfs/dbraw/zinc/26/12/14/786261214.db2.gz QPFSZLPZPBZQAO-UPJWGTAASA-N 1 0 337.428 -1.165 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129220509 786260960 /nfs/dbraw/zinc/26/09/60/786260960.db2.gz YJTFUCUMOWFPJE-MNOVXSKESA-N 1 0 330.414 -1.292 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2n2ccnn2)CC1 ZINC001129220510 786261257 /nfs/dbraw/zinc/26/12/57/786261257.db2.gz YKXDEWRELRCVAK-NEPJUHHUSA-N 1 0 335.412 -1.553 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129223392 786261199 /nfs/dbraw/zinc/26/11/99/786261199.db2.gz BFUMXTGNOJCSNH-TUAOUCFPSA-N 1 0 336.396 -1.080 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129223393 786260747 /nfs/dbraw/zinc/26/07/47/786260747.db2.gz BFUMXTGNOJCSNH-UTUOFQBUSA-N 1 0 336.396 -1.080 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129223755 786262162 /nfs/dbraw/zinc/26/21/62/786262162.db2.gz JZGLHGCQZVQGFF-TUAOUCFPSA-N 1 0 336.396 -1.080 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129223756 786262492 /nfs/dbraw/zinc/26/24/92/786262492.db2.gz JZGLHGCQZVQGFF-UTUOFQBUSA-N 1 0 336.396 -1.080 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1n1ccnn1 ZINC001129223769 786262632 /nfs/dbraw/zinc/26/26/32/786262632.db2.gz KLWJSJRWYYJBFU-KGLIPLIRSA-N 1 0 349.439 -1.196 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2n2ccnn2)CC1 ZINC001129223971 786262056 /nfs/dbraw/zinc/26/20/56/786262056.db2.gz QHXXDQPZWDQPJK-UPJWGTAASA-N 1 0 348.407 -1.078 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)CC1 ZINC001129223973 786262773 /nfs/dbraw/zinc/26/27/73/786262773.db2.gz QHXXDQPZWDQPJK-XQQFMLRXSA-N 1 0 348.407 -1.078 20 0 EAADRO Cn1cnnc1CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228089 786262669 /nfs/dbraw/zinc/26/26/69/786262669.db2.gz BOJPERCYLBDGFL-OLZOCXBDSA-N 1 0 347.427 -1.100 20 0 EAADRO CN(C)C(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228141 786262432 /nfs/dbraw/zinc/26/24/32/786262432.db2.gz FPCQWNNJYNFXIW-OLZOCXBDSA-N 1 0 337.428 -1.341 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1n1ccnn1 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BFMFPBQOAKVUAV-JTQLQIEISA-N 1 0 325.369 -1.840 20 0 EAADRO O=C(C[C@H]1CCNC1=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129302124 786284588 /nfs/dbraw/zinc/28/45/88/786284588.db2.gz BFMFPBQOAKVUAV-SNVBAGLBSA-N 1 0 325.369 -1.840 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129302153 786285076 /nfs/dbraw/zinc/28/50/76/786285076.db2.gz BORJIZLYXSZRHD-NEPJUHHUSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129302156 786285017 /nfs/dbraw/zinc/28/50/17/786285017.db2.gz BORJIZLYXSZRHD-NWDGAFQWSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129302158 786284518 /nfs/dbraw/zinc/28/45/18/786284518.db2.gz BORJIZLYXSZRHD-RYUDHWBXSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129302160 786285146 /nfs/dbraw/zinc/28/51/46/786285146.db2.gz BORJIZLYXSZRHD-VXGBXAGGSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129302183 786285267 /nfs/dbraw/zinc/28/52/67/786285267.db2.gz BXXGSCKYOQCXPR-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129302185 786284743 /nfs/dbraw/zinc/28/47/43/786284743.db2.gz BXXGSCKYOQCXPR-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO O=C(C[C@H]1CCNC1=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001129302424 786285239 /nfs/dbraw/zinc/28/52/39/786285239.db2.gz DGAYKTFCWKUIEX-CHWSQXEVSA-N 1 0 343.424 -1.225 20 0 EAADRO O=C(C[C@H]1CCNC1=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001129302426 786285166 /nfs/dbraw/zinc/28/51/66/786285166.db2.gz DGAYKTFCWKUIEX-OLZOCXBDSA-N 1 0 343.424 -1.225 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001129302427 786284509 /nfs/dbraw/zinc/28/45/09/786284509.db2.gz DGAYKTFCWKUIEX-QWHCGFSZSA-N 1 0 343.424 -1.225 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001129302429 786284837 /nfs/dbraw/zinc/28/48/37/786284837.db2.gz DGAYKTFCWKUIEX-STQMWFEESA-N 1 0 343.424 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/nfs/dbraw/zinc/28/48/08/786284808.db2.gz GUNSXFSQJOUFOI-YPMHNXCESA-N 1 0 348.407 -1.243 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001129302834 786284928 /nfs/dbraw/zinc/28/49/28/786284928.db2.gz HRSQZLNGCGHLDS-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CCNC2=O)CCO1 ZINC001129302835 786284916 /nfs/dbraw/zinc/28/49/16/786284916.db2.gz HRSQZLNGCGHLDS-NWDGAFQWSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001129302836 786285109 /nfs/dbraw/zinc/28/51/09/786285109.db2.gz HRSQZLNGCGHLDS-RYUDHWBXSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CCNC2=O)CCO1 ZINC001129302837 786284441 /nfs/dbraw/zinc/28/44/41/786284441.db2.gz HRSQZLNGCGHLDS-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCNC1=O)C(=O)N(C)C ZINC001129302840 786285101 /nfs/dbraw/zinc/28/51/01/786285101.db2.gz HUVZTEIOQPIAFK-GHMZBOCLSA-N 1 0 341.412 -2.189 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001129302841 786285184 /nfs/dbraw/zinc/28/51/84/786285184.db2.gz HUVZTEIOQPIAFK-MNOVXSKESA-N 1 0 341.412 -2.189 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001129302843 786285032 /nfs/dbraw/zinc/28/50/32/786285032.db2.gz HUVZTEIOQPIAFK-QWRGUYRKSA-N 1 0 341.412 -2.189 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCNC1=O)C(=O)N(C)C ZINC001129302844 786284693 /nfs/dbraw/zinc/28/46/93/786284693.db2.gz HUVZTEIOQPIAFK-WDEREUQCSA-N 1 0 341.412 -2.189 20 0 EAADRO O=C(C[C@H]1CCNC1=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001129302866 786285122 /nfs/dbraw/zinc/28/51/22/786285122.db2.gz HWXREUWHNGDGPT-GHMZBOCLSA-N 1 0 340.380 -2.272 20 0 EAADRO O=C(C[C@H]1CCNC1=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001129302875 786285230 /nfs/dbraw/zinc/28/52/30/786285230.db2.gz HWXREUWHNGDGPT-MNOVXSKESA-N 1 0 340.380 -2.272 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001129302876 786285117 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CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129303075 786285243 /nfs/dbraw/zinc/28/52/43/786285243.db2.gz IITPDNQDZXLKQS-LLVKDONJSA-N 1 0 341.412 -1.300 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129303076 786285070 /nfs/dbraw/zinc/28/50/70/786285070.db2.gz IITPDNQDZXLKQS-NSHDSACASA-N 1 0 341.412 -1.300 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129303115 786285059 /nfs/dbraw/zinc/28/50/59/786285059.db2.gz JCRWGHBKTCMNAQ-GHMZBOCLSA-N 1 0 341.412 -1.159 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129303116 786285007 /nfs/dbraw/zinc/28/50/07/786285007.db2.gz JCRWGHBKTCMNAQ-MNOVXSKESA-N 1 0 341.412 -1.159 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129303117 786285282 /nfs/dbraw/zinc/28/52/82/786285282.db2.gz JCRWGHBKTCMNAQ-QWRGUYRKSA-N 1 0 341.412 -1.159 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129303118 786284818 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Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@@H]3CCNC3=O)C2=O)n1 ZINC001129304506 786285176 /nfs/dbraw/zinc/28/51/76/786285176.db2.gz PSLRXUGTBULFPC-NWDGAFQWSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C[C@@H]3CCNC3=O)C2=O)n1 ZINC001129304509 786284541 /nfs/dbraw/zinc/28/45/41/786284541.db2.gz PSLRXUGTBULFPC-RYUDHWBXSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@H]3CCNC3=O)C2=O)n1 ZINC001129304511 786284658 /nfs/dbraw/zinc/28/46/58/786284658.db2.gz PSLRXUGTBULFPC-VXGBXAGGSA-N 1 0 348.407 -1.243 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129305829 786285536 /nfs/dbraw/zinc/28/55/36/786285536.db2.gz WVISGPUEWAQTDO-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129305830 786285476 /nfs/dbraw/zinc/28/54/76/786285476.db2.gz WVISGPUEWAQTDO-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CCNC1=O)C(=O)NC(=O)NC1CC1 ZINC001129305922 786285558 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ZINC001129322312 786439743 /nfs/dbraw/zinc/43/97/43/786439743.db2.gz OGIGJHFBWQGWQN-UHFFFAOYSA-N 1 0 335.364 -1.171 20 0 EAADRO Cc1ncc(CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)o1 ZINC001129323404 786441031 /nfs/dbraw/zinc/44/10/31/786441031.db2.gz VSNHTRAQEPKSHP-JTQLQIEISA-N 1 0 339.396 -1.176 20 0 EAADRO Cc1ncc(CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)o1 ZINC001129323405 786441532 /nfs/dbraw/zinc/44/15/32/786441532.db2.gz VSNHTRAQEPKSHP-SNVBAGLBSA-N 1 0 339.396 -1.176 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](n2ccnn2)C1 ZINC001129326234 786447170 /nfs/dbraw/zinc/44/71/70/786447170.db2.gz DCICCLDROLQSPM-NEPJUHHUSA-N 1 0 347.379 -1.420 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(-c2cccnc2)c1 ZINC001129327773 786455374 /nfs/dbraw/zinc/45/53/74/786455374.db2.gz IQOHKMRQPZRACV-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129332203 786511415 /nfs/dbraw/zinc/51/14/15/786511415.db2.gz AKHDCAZUOSASPC-SECBINFHSA-N 1 0 334.398 -1.885 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129332216 786511548 /nfs/dbraw/zinc/51/15/48/786511548.db2.gz AKHDCAZUOSASPC-VIFPVBQESA-N 1 0 334.398 -1.885 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O)N1CCOCC1 ZINC001129332592 786513006 /nfs/dbraw/zinc/51/30/06/786513006.db2.gz CCQVKZRYKUGIHB-GFCCVEGCSA-N 1 0 347.437 -1.482 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O)N1CCOCC1 ZINC001129332600 786512784 /nfs/dbraw/zinc/51/27/84/786512784.db2.gz CCQVKZRYKUGIHB-LBPRGKRZSA-N 1 0 347.437 -1.482 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129332967 786513753 /nfs/dbraw/zinc/51/37/53/786513753.db2.gz FFCSFRADBHPAKV-GFCCVEGCSA-N 1 0 349.453 -1.188 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129332974 786514125 /nfs/dbraw/zinc/51/41/25/786514125.db2.gz FFCSFRADBHPAKV-LBPRGKRZSA-N 1 0 349.453 -1.188 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129333282 786514081 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CC[NH+](CC)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129333794 786511496 /nfs/dbraw/zinc/51/14/96/786511496.db2.gz SMIIZJDPEPVROZ-RDBSUJKOSA-N 1 0 349.439 -1.150 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCCCS1(=O)=O ZINC001129334244 786515280 /nfs/dbraw/zinc/51/52/80/786515280.db2.gz LFVGYIYHVPWFEY-NXEZZACHSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCCCS1(=O)=O ZINC001129334261 786511615 /nfs/dbraw/zinc/51/16/15/786511615.db2.gz LFVGYIYHVPWFEY-UWVGGRQHSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCCCS1(=O)=O ZINC001129334264 786511102 /nfs/dbraw/zinc/51/11/02/786511102.db2.gz LFVGYIYHVPWFEY-VHSXEESVSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCCCS1(=O)=O ZINC001129334265 786511033 /nfs/dbraw/zinc/51/10/33/786511033.db2.gz LFVGYIYHVPWFEY-ZJUUUORDSA-N 1 0 331.394 -1.535 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129335588 786517069 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CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129338532 786526995 /nfs/dbraw/zinc/52/69/95/786526995.db2.gz BKMDUSXZOBQUSH-JTQLQIEISA-N 1 0 341.455 -1.791 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129338534 786527055 /nfs/dbraw/zinc/52/70/55/786527055.db2.gz BKMDUSXZOBQUSH-SNVBAGLBSA-N 1 0 341.455 -1.791 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129339122 786525405 /nfs/dbraw/zinc/52/54/05/786525405.db2.gz FSFRMTOJABLTMW-CYBMUJFWSA-N 1 0 349.453 -1.188 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129339123 786525352 /nfs/dbraw/zinc/52/53/52/786525352.db2.gz FSFRMTOJABLTMW-ZDUSSCGKSA-N 1 0 349.453 -1.188 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCCS1(=O)=O ZINC001129341069 786527267 /nfs/dbraw/zinc/52/72/67/786527267.db2.gz SQWRACLFXHLEBI-JTQLQIEISA-N 1 0 346.409 -1.789 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCCS1(=O)=O ZINC001129341070 786526720 /nfs/dbraw/zinc/52/67/20/786526720.db2.gz SQWRACLFXHLEBI-SNVBAGLBSA-N 1 0 346.409 -1.789 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1CCCCS1(=O)=O ZINC001129341726 786529631 /nfs/dbraw/zinc/52/96/31/786529631.db2.gz YBFVPRCPPFKEMI-LLVKDONJSA-N 1 0 332.426 -1.315 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1CCCCS1(=O)=O ZINC001129341727 786529849 /nfs/dbraw/zinc/52/98/49/786529849.db2.gz YBFVPRCPPFKEMI-NSHDSACASA-N 1 0 332.426 -1.315 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342070 786532346 /nfs/dbraw/zinc/53/23/46/786532346.db2.gz BAOVOTAEKLYHSF-OLZOCXBDSA-N 1 0 349.399 -1.267 20 0 EAADRO COCCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342272 786534039 /nfs/dbraw/zinc/53/40/39/786534039.db2.gz IEXYNUBJMHGGIO-OLZOCXBDSA-N 1 0 349.399 -1.267 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342287 786534130 /nfs/dbraw/zinc/53/41/30/786534130.db2.gz ITFVBDNKBIUZHO-UPJWGTAASA-N 1 0 349.399 -1.269 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342288 786534351 /nfs/dbraw/zinc/53/43/51/786534351.db2.gz ITFVBDNKBIUZHO-XQQFMLRXSA-N 1 0 349.399 -1.269 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129342550 786533876 /nfs/dbraw/zinc/53/38/76/786533876.db2.gz QNZFGKLFDQSFGX-UPJWGTAASA-N 1 0 349.395 -1.407 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129342551 786533553 /nfs/dbraw/zinc/53/35/53/786533553.db2.gz QNZFGKLFDQSFGX-XQQFMLRXSA-N 1 0 349.395 -1.407 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342629 786534461 /nfs/dbraw/zinc/53/44/61/786534461.db2.gz SWJVCGHBWFRVHH-TUAOUCFPSA-N 1 0 335.372 -1.923 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342631 786534312 /nfs/dbraw/zinc/53/43/12/786534312.db2.gz SWJVCGHBWFRVHH-UTUOFQBUSA-N 1 0 335.372 -1.923 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342640 786534356 /nfs/dbraw/zinc/53/43/56/786534356.db2.gz SZTXYZWYTMWWOP-UPJWGTAASA-N 1 0 349.399 -1.269 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342643 786533975 /nfs/dbraw/zinc/53/39/75/786533975.db2.gz SZTXYZWYTMWWOP-XQQFMLRXSA-N 1 0 349.399 -1.269 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129342781 786534072 /nfs/dbraw/zinc/53/40/72/786534072.db2.gz XDVIRTZTRDEKBL-NEPJUHHUSA-N 1 0 335.372 -1.921 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129346267 786545965 /nfs/dbraw/zinc/54/59/65/786545965.db2.gz AVJJZCSAICUCRE-CYBMUJFWSA-N 1 0 341.412 -1.115 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129346268 786546281 /nfs/dbraw/zinc/54/62/81/786546281.db2.gz AVJJZCSAICUCRE-ZDUSSCGKSA-N 1 0 341.412 -1.115 20 0 EAADRO O=C(Cn1cc(C2CC2)nn1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129347376 786551049 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CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129347956 786548476 /nfs/dbraw/zinc/54/84/76/786548476.db2.gz WETIIXFXDWEHJB-UWVGGRQHSA-N 1 0 348.425 -1.496 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129347957 786548594 /nfs/dbraw/zinc/54/85/94/786548594.db2.gz WETIIXFXDWEHJB-VHSXEESVSA-N 1 0 348.425 -1.496 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129347958 786549261 /nfs/dbraw/zinc/54/92/61/786549261.db2.gz WETIIXFXDWEHJB-ZJUUUORDSA-N 1 0 348.425 -1.496 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCCS1(=O)=O ZINC001129348238 786550111 /nfs/dbraw/zinc/55/01/11/786550111.db2.gz ZAEHABFRKARDMT-LLVKDONJSA-N 1 0 345.421 -1.192 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCCCS1(=O)=O ZINC001129348239 786550713 /nfs/dbraw/zinc/55/07/13/786550713.db2.gz ZAEHABFRKARDMT-NSHDSACASA-N 1 0 345.421 -1.192 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)NC(N)=O ZINC001129348240 786550592 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EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@H]1CCCCS1(=O)=O ZINC001129348261 786549969 /nfs/dbraw/zinc/54/99/69/786549969.db2.gz ZNSHSQVKAFHTDT-QWHCGFSZSA-N 1 0 344.437 -1.083 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1CCCCS1(=O)=O ZINC001129348262 786550936 /nfs/dbraw/zinc/55/09/36/786550936.db2.gz ZNSHSQVKAFHTDT-STQMWFEESA-N 1 0 344.437 -1.083 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129351001 786563493 /nfs/dbraw/zinc/56/34/93/786563493.db2.gz HKPGWWRNBRJDEL-UHFFFAOYSA-N 1 0 344.441 -1.199 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129351070 786563514 /nfs/dbraw/zinc/56/35/14/786563514.db2.gz JCAYMNRXXHFYGS-SECBINFHSA-N 1 0 337.384 -1.295 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129351071 786564194 /nfs/dbraw/zinc/56/41/94/786564194.db2.gz JCAYMNRXXHFYGS-VIFPVBQESA-N 1 0 337.384 -1.295 20 0 EAADRO O=C(Cn1cc(C2CC2)nn1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129351082 786563888 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CC[N@@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](n2ccnn2)C1 ZINC001129375730 786582690 /nfs/dbraw/zinc/58/26/90/786582690.db2.gz HWLRQRWKHCPRER-NEPJUHHUSA-N 1 0 334.384 -1.015 20 0 EAADRO CC[N@@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](n2ccnn2)C1 ZINC001129375977 786584460 /nfs/dbraw/zinc/58/44/60/786584460.db2.gz NDADZFUVVVRMSK-NEPJUHHUSA-N 1 0 334.384 -1.015 20 0 EAADRO CCc1c(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]c(C)c1C(N)=O ZINC001129381397 786588433 /nfs/dbraw/zinc/58/84/33/786588433.db2.gz UVYDVKJJKGWPQY-UHFFFAOYSA-N 1 0 338.368 -1.501 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001129384986 786594130 /nfs/dbraw/zinc/59/41/30/786594130.db2.gz DEKKGFINNAOTPD-OLZOCXBDSA-N 1 0 326.401 -1.810 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129385118 786593022 /nfs/dbraw/zinc/59/30/22/786593022.db2.gz IRIMJKYHTSBECI-NEPJUHHUSA-N 1 0 339.400 -2.317 20 0 EAADRO COCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385614 786595464 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327.385 -1.337 20 0 EAADRO COCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129506358 786842954 /nfs/dbraw/zinc/84/29/54/786842954.db2.gz JFVXHJZSYVGIJZ-OLZOCXBDSA-N 1 0 336.396 -1.065 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129507226 786845709 /nfs/dbraw/zinc/84/57/09/786845709.db2.gz RWJVCCUGZWQBMD-JLLWLGSASA-N 1 0 349.395 -1.126 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129507228 786846050 /nfs/dbraw/zinc/84/60/50/786846050.db2.gz RWJVCCUGZWQBMD-WCQGTBRESA-N 1 0 349.395 -1.126 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1)C(=O)NC(N)=O ZINC001129507251 786846374 /nfs/dbraw/zinc/84/63/74/786846374.db2.gz SKMHMTXBNXWJLK-GDPRMGEGSA-N 1 0 335.368 -1.387 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1)C(=O)NC(N)=O ZINC001129507252 786844551 /nfs/dbraw/zinc/84/45/51/786844551.db2.gz SKMHMTXBNXWJLK-IEBDPFPHSA-N 1 0 335.368 -1.387 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129507268 786844858 /nfs/dbraw/zinc/84/48/58/786844858.db2.gz SXLFNYFXNJTSBW-NEPJUHHUSA-N 1 0 342.425 -1.421 20 0 EAADRO COCCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129507271 786845861 /nfs/dbraw/zinc/84/58/61/786845861.db2.gz SZKOAJGMZJCJFJ-OLZOCXBDSA-N 1 0 327.385 -1.335 20 0 EAADRO COCCC(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129507759 786845258 /nfs/dbraw/zinc/84/52/58/786845258.db2.gz XGRXMTRPCYZTLZ-NEPJUHHUSA-N 1 0 345.425 -1.299 20 0 EAADRO COCCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129507933 786846157 /nfs/dbraw/zinc/84/61/57/786846157.db2.gz ZFUAYDGTHVBTDG-OLZOCXBDSA-N 1 0 336.396 -1.112 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001129508530 786846411 /nfs/dbraw/zinc/84/64/11/786846411.db2.gz FFNVHLAGRASIJC-UHFFFAOYSA-N 1 0 335.320 -1.468 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)NC(N)=O ZINC001129508531 786845067 /nfs/dbraw/zinc/84/50/67/786845067.db2.gz FFXIYFGWGCLOTQ-MRVPVSSYSA-N 1 0 349.347 -1.080 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)NC(N)=O ZINC001129508532 786845446 /nfs/dbraw/zinc/84/54/46/786845446.db2.gz FFXIYFGWGCLOTQ-QMMMGPOBSA-N 1 0 349.347 -1.080 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129510748 786845681 /nfs/dbraw/zinc/84/56/81/786845681.db2.gz AGSXIPMZURVOCR-NEPJUHHUSA-N 1 0 330.414 -1.469 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129510769 786844981 /nfs/dbraw/zinc/84/49/81/786844981.db2.gz BLZWVYFAEJMSCT-MCIONIFRSA-N 1 0 336.396 -1.065 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129510770 786846215 /nfs/dbraw/zinc/84/62/15/786846215.db2.gz BLZWVYFAEJMSCT-MJBXVCDLSA-N 1 0 336.396 -1.065 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129510784 786846620 /nfs/dbraw/zinc/84/66/20/786846620.db2.gz BYPCBTKUJPDXNX-MNOVXSKESA-N 1 0 335.368 -1.385 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129510820 786842418 /nfs/dbraw/zinc/84/24/18/786842418.db2.gz CPMAVOJXNJTXBO-NEPJUHHUSA-N 1 0 349.395 -1.125 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129510836 786846591 /nfs/dbraw/zinc/84/65/91/786846591.db2.gz DEMUYIHFLLKQHP-MCIONIFRSA-N 1 0 327.385 -1.337 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129510837 786845501 /nfs/dbraw/zinc/84/55/01/786845501.db2.gz DEMUYIHFLLKQHP-MJBXVCDLSA-N 1 0 327.385 -1.337 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129511004 786846638 /nfs/dbraw/zinc/84/66/38/786846638.db2.gz FVSLZDRWAZXDCR-NEPJUHHUSA-N 1 0 335.368 -1.372 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129511018 786844881 /nfs/dbraw/zinc/84/48/81/786844881.db2.gz GGXSBCNGQKZIFN-NEPJUHHUSA-N 1 0 349.395 -1.125 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129511199 786844572 /nfs/dbraw/zinc/84/45/72/786844572.db2.gz JZNQUJGWUBVWMS-OLZOCXBDSA-N 1 0 344.441 -1.031 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129511405 786845202 /nfs/dbraw/zinc/84/52/02/786845202.db2.gz RMGRWZVUMQBFRR-MJBXVCDLSA-N 1 0 336.396 -1.377 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129511689 786846249 /nfs/dbraw/zinc/84/62/49/786846249.db2.gz VFWJTQYHXCLYMV-MNOVXSKESA-N 1 0 335.368 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129515946 786846350 /nfs/dbraw/zinc/84/63/50/786846350.db2.gz CQLLSENBQLZCHP-NEPJUHHUSA-N 1 0 330.414 -1.421 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@@H]1n1ccnn1 ZINC001129516108 786846447 /nfs/dbraw/zinc/84/64/47/786846447.db2.gz HWGGIDIJGPEKSN-MNOVXSKESA-N 1 0 335.368 -1.385 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001129516110 786846539 /nfs/dbraw/zinc/84/65/39/786846539.db2.gz HXQCBHIZNSCRCE-NEPJUHHUSA-N 1 0 335.368 -1.419 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129516159 786846329 /nfs/dbraw/zinc/84/63/29/786846329.db2.gz IYDSGNPBMUHSLO-MCIONIFRSA-N 1 0 336.396 -1.208 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129516160 786845634 /nfs/dbraw/zinc/84/56/34/786845634.db2.gz IYDSGNPBMUHSLO-MJBXVCDLSA-N 1 0 336.396 -1.208 20 0 EAADRO CC(C)(F)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129516297 786846291 /nfs/dbraw/zinc/84/62/91/786846291.db2.gz NHHUOJLYCGCVOM-BDAKNGLRSA-N 1 0 341.347 -1.437 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@@H]1n1ccnn1 ZINC001129516548 786848087 /nfs/dbraw/zinc/84/80/87/786848087.db2.gz VHPKRBYQMYIPIF-NEPJUHHUSA-N 1 0 349.395 -1.125 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129516719 786847544 /nfs/dbraw/zinc/84/75/44/786847544.db2.gz YYDXTJLVHLJHIP-OLZOCXBDSA-N 1 0 344.441 -1.079 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001129517038 786848177 /nfs/dbraw/zinc/84/81/77/786848177.db2.gz AUJMJDLGFUSXND-UHFFFAOYSA-N 1 0 349.347 -1.208 20 0 EAADRO CC(F)(F)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129521479 786847774 /nfs/dbraw/zinc/84/77/74/786847774.db2.gz IMKBXPLOUAIKTH-SFYZADRCSA-N 1 0 345.310 -1.530 20 0 EAADRO CCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129521628 786848058 /nfs/dbraw/zinc/84/80/58/786848058.db2.gz OFLJJZLMXYUVLI-MNOVXSKESA-N 1 0 337.384 -1.125 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001129521733 786848229 /nfs/dbraw/zinc/84/82/29/786848229.db2.gz SHLMVICVFLAWNU-SFYZADRCSA-N 1 0 345.310 -1.660 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001129521989 786847633 /nfs/dbraw/zinc/84/76/33/786847633.db2.gz ZXXFRDDRHGEDMO-BDAKNGLRSA-N 1 0 337.352 -1.071 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129525205 786847761 /nfs/dbraw/zinc/84/77/61/786847761.db2.gz HCHQUBOZWBWELB-JLLWLGSASA-N 1 0 337.384 -1.126 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129525207 786847437 /nfs/dbraw/zinc/84/74/37/786847437.db2.gz HCHQUBOZWBWELB-WCQGTBRESA-N 1 0 337.384 -1.126 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129525222 786848416 /nfs/dbraw/zinc/84/84/16/786848416.db2.gz HLMXBYWHPGBRJW-NEPJUHHUSA-N 1 0 337.384 -1.125 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@@H]1n1ccnn1 ZINC001129525239 786847384 /nfs/dbraw/zinc/84/73/84/786847384.db2.gz IAIRHQHLHCXDSV-ZJUUUORDSA-N 1 0 347.335 -1.279 20 0 EAADRO CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129525481 786844710 /nfs/dbraw/zinc/84/47/10/786844710.db2.gz LWXVLGQIIFPZMG-KGLIPLIRSA-N 1 0 336.396 -1.065 20 0 EAADRO COCCC(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129525920 786845968 /nfs/dbraw/zinc/84/59/68/786845968.db2.gz UVBJCPJMWRVEPR-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO COCCC(=O)N1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129525985 786846393 /nfs/dbraw/zinc/84/63/93/786846393.db2.gz VLYZLPDQEUEKDI-UPJWGTAASA-N 1 0 336.396 -1.113 20 0 EAADRO COCCC(=O)N1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129525986 786846133 /nfs/dbraw/zinc/84/61/33/786846133.db2.gz VLYZLPDQEUEKDI-XQQFMLRXSA-N 1 0 336.396 -1.113 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129529794 786845333 /nfs/dbraw/zinc/84/53/33/786845333.db2.gz KVEPKOLMGFGRBG-KGLIPLIRSA-N 1 0 346.395 -1.348 20 0 EAADRO CCCC(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129530823 786845228 /nfs/dbraw/zinc/84/52/28/786845228.db2.gz XNBCAXZKZCCKEK-NEPJUHHUSA-N 1 0 344.441 -1.031 20 0 EAADRO CC(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129530864 786844582 /nfs/dbraw/zinc/84/45/82/786844582.db2.gz YDTREDJLFVHDJT-MNOVXSKESA-N 1 0 337.384 -1.139 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001129533386 786846523 /nfs/dbraw/zinc/84/65/23/786846523.db2.gz FVZPFECYZOIYHO-RTXFEEFZSA-N 1 0 344.379 -1.142 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001129533387 786844521 /nfs/dbraw/zinc/84/45/21/786844521.db2.gz FVZPFECYZOIYHO-UHTWSYAYSA-N 1 0 344.379 -1.142 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001129533431 786846602 /nfs/dbraw/zinc/84/66/02/786846602.db2.gz HZCFSQMWVXQIRP-NEPJUHHUSA-N 1 0 330.352 -1.531 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001129533462 786846549 /nfs/dbraw/zinc/84/65/49/786846549.db2.gz JLTKRNHOJQTMEO-OLZOCXBDSA-N 1 0 344.379 -1.188 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001129533466 786844490 /nfs/dbraw/zinc/84/44/90/786844490.db2.gz JSFLBVJCLXEKJS-BNOWGMLFSA-N 1 0 347.379 -1.269 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001129533467 786844469 /nfs/dbraw/zinc/84/44/69/786844469.db2.gz JSFLBVJCLXEKJS-YUTCNCBUSA-N 1 0 347.379 -1.269 20 0 EAADRO O=C(c1cnccn1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129533825 786844630 /nfs/dbraw/zinc/84/46/30/786844630.db2.gz QSDXFIHTHPSFSZ-KGLIPLIRSA-N 1 0 347.379 -1.268 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001129533926 786845001 /nfs/dbraw/zinc/84/50/01/786845001.db2.gz VTSHYHDERNWABB-OLZOCXBDSA-N 1 0 344.379 -1.141 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129536448 786850667 /nfs/dbraw/zinc/85/06/67/786850667.db2.gz BIXPCMMMHZSXRX-KGLIPLIRSA-N 1 0 346.395 -1.311 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129536469 786849533 /nfs/dbraw/zinc/84/95/33/786849533.db2.gz BYEVNPFJNJSOHF-KGLIPLIRSA-N 1 0 346.395 -1.311 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129536498 786849105 /nfs/dbraw/zinc/84/91/05/786849105.db2.gz CWGWFNKJQCLDIW-OLZOCXBDSA-N 1 0 349.395 -1.966 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129536512 786849446 /nfs/dbraw/zinc/84/94/46/786849446.db2.gz DEINVUPCWSFWNX-OLZOCXBDSA-N 1 0 340.384 -2.235 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129536586 786849790 /nfs/dbraw/zinc/84/97/90/786849790.db2.gz FLTSDJFHTBTDTL-OLZOCXBDSA-N 1 0 349.395 -2.012 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129536705 786849365 /nfs/dbraw/zinc/84/93/65/786849365.db2.gz GDUCZFOQVGLWBU-NEPJUHHUSA-N 1 0 337.384 -2.108 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129536796 786849350 /nfs/dbraw/zinc/84/93/50/786849350.db2.gz KFUGDYYQOXNPMR-UPJWGTAASA-N 1 0 349.395 -2.014 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129536797 786849572 /nfs/dbraw/zinc/84/95/72/786849572.db2.gz KFUGDYYQOXNPMR-XQQFMLRXSA-N 1 0 349.395 -2.014 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129537034 786849686 /nfs/dbraw/zinc/84/96/86/786849686.db2.gz MDTQCUXCHSSKJZ-TUAOUCFPSA-N 1 0 335.368 -2.356 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129537035 786850129 /nfs/dbraw/zinc/85/01/29/786850129.db2.gz MDTQCUXCHSSKJZ-UTUOFQBUSA-N 1 0 335.368 -2.356 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129537036 786850314 /nfs/dbraw/zinc/85/03/14/786850314.db2.gz MIKUWBKPAAVIGC-KGLIPLIRSA-N 1 0 346.395 -1.311 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129537273 786850162 /nfs/dbraw/zinc/85/01/62/786850162.db2.gz PXFQVRJFMVDSMW-UPJWGTAASA-N 1 0 340.384 -2.237 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129537274 786849724 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ZINC001129551140 786847872 /nfs/dbraw/zinc/84/78/72/786847872.db2.gz NGRMEMIDCUMIGE-UHFFFAOYSA-N 1 0 345.425 -1.076 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)CN2CCOCC2=O)c(C)n1 ZINC001129551184 786848465 /nfs/dbraw/zinc/84/84/65/786848465.db2.gz ONJOLBYISUEZNM-UHFFFAOYSA-N 1 0 337.380 -1.142 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129551559 786847732 /nfs/dbraw/zinc/84/77/32/786847732.db2.gz QEROHJKNLNQBDW-UHFFFAOYSA-N 1 0 325.369 -1.252 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CCOCC1=O)NCc1ccco1 ZINC001129551598 786850613 /nfs/dbraw/zinc/85/06/13/786850613.db2.gz RZDQBVGTYBDZJC-UHFFFAOYSA-N 1 0 338.364 -1.540 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc2n(n1)CCO2)N1CCNC(=O)C1 ZINC001129551603 786850101 /nfs/dbraw/zinc/85/01/01/786850101.db2.gz SHNMWEBFHTXZGK-UHFFFAOYSA-N 1 0 336.352 -2.447 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001129551633 786849869 /nfs/dbraw/zinc/84/98/69/786849869.db2.gz UWCRSNCHZCUPJM-UHFFFAOYSA-N 1 0 341.368 -2.461 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CN2CCOCC2=O)C1 ZINC001129551727 786850145 /nfs/dbraw/zinc/85/01/45/786850145.db2.gz VQVZSINCJHOCDW-CYBMUJFWSA-N 1 0 340.424 -1.191 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CN2CCOCC2=O)C1 ZINC001129551729 786849618 /nfs/dbraw/zinc/84/96/18/786849618.db2.gz VQVZSINCJHOCDW-ZDUSSCGKSA-N 1 0 340.424 -1.191 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc2n(n1)CCO2)NC(=O)NC1CC1 ZINC001129551769 786850201 /nfs/dbraw/zinc/85/02/01/786850201.db2.gz WIXQBBKGQHIROJ-UHFFFAOYSA-N 1 0 336.352 -1.417 20 0 EAADRO O=C([C@H]1CCCO1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129552716 786850165 /nfs/dbraw/zinc/85/01/65/786850165.db2.gz DFPGPIMBFLFBFS-HZSPNIEDSA-N 1 0 339.396 -1.193 20 0 EAADRO O=C([C@@H]1CCCO1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129552717 786850433 /nfs/dbraw/zinc/85/04/33/786850433.db2.gz DFPGPIMBFLFBFS-RDBSUJKOSA-N 1 0 339.396 -1.193 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129552973 786849938 /nfs/dbraw/zinc/84/99/38/786849938.db2.gz KSLBTAQQIPEZPL-AGIUHOORSA-N 1 0 336.396 -1.113 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129552974 786849672 /nfs/dbraw/zinc/84/96/72/786849672.db2.gz KSLBTAQQIPEZPL-FRRDWIJNSA-N 1 0 336.396 -1.113 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1 ZINC001129553030 786850331 /nfs/dbraw/zinc/85/03/31/786850331.db2.gz MUYVHRPPKXGXQP-MNOVXSKESA-N 1 0 346.351 -1.825 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 ZINC001129553141 786849204 /nfs/dbraw/zinc/84/92/04/786849204.db2.gz QKBROKZZVRUQLS-MNOVXSKESA-N 1 0 336.352 -1.746 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129553146 786849887 /nfs/dbraw/zinc/84/98/87/786849887.db2.gz QOFMHOTUIALEQM-AGIUHOORSA-N 1 0 336.396 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129553147 786849705 /nfs/dbraw/zinc/84/97/05/786849705.db2.gz QOFMHOTUIALEQM-FRRDWIJNSA-N 1 0 336.396 -1.065 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129555770 786850455 /nfs/dbraw/zinc/85/04/55/786850455.db2.gz AWWPTLMZFGEUEP-TUAOUCFPSA-N 1 0 337.384 -1.676 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129555772 786849133 /nfs/dbraw/zinc/84/91/33/786849133.db2.gz AWWPTLMZFGEUEP-UTUOFQBUSA-N 1 0 337.384 -1.676 20 0 EAADRO COCCCC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129555819 786849955 /nfs/dbraw/zinc/84/99/55/786849955.db2.gz BLXINQKNJUGKLX-NEPJUHHUSA-N 1 0 339.400 -1.286 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129555900 786850256 /nfs/dbraw/zinc/85/02/56/786850256.db2.gz CZPWXQHVFURORF-OLZOCXBDSA-N 1 0 346.395 -1.245 20 0 EAADRO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129556044 786849633 /nfs/dbraw/zinc/84/96/33/786849633.db2.gz GEGMTLGCZKXNJA-NEPJUHHUSA-N 1 0 339.400 -1.287 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129556057 786849718 /nfs/dbraw/zinc/84/97/18/786849718.db2.gz GVJSFMRRLMAALX-AXFHLTTASA-N 1 0 325.373 -1.677 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129556058 786850302 /nfs/dbraw/zinc/85/03/02/786850302.db2.gz GVJSFMRRLMAALX-MXWKQRLJSA-N 1 0 325.373 -1.677 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129556107 786849491 /nfs/dbraw/zinc/84/94/91/786849491.db2.gz JFKISMNDLFZMFI-NEPJUHHUSA-N 1 0 332.368 -1.587 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556205 786849322 /nfs/dbraw/zinc/84/93/22/786849322.db2.gz LGKHNOMYHZVSMY-NEPJUHHUSA-N 1 0 335.372 -1.657 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556206 786849920 /nfs/dbraw/zinc/84/99/20/786849920.db2.gz LHNXHPGPZBLODP-NEPJUHHUSA-N 1 0 335.372 -1.657 20 0 EAADRO CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556323 786850019 /nfs/dbraw/zinc/85/00/19/786850019.db2.gz MHLZBABZESDFSX-OLZOCXBDSA-N 1 0 349.399 -1.269 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556324 786850419 /nfs/dbraw/zinc/85/04/19/786850419.db2.gz MHRMCNIXRQTCDD-MNOVXSKESA-N 1 0 348.371 -2.606 20 0 EAADRO CCOCCC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129556343 786849390 /nfs/dbraw/zinc/84/93/90/786849390.db2.gz MVKFLSJQFYWUCF-NEPJUHHUSA-N 1 0 339.400 -1.286 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556410 786849767 /nfs/dbraw/zinc/84/97/67/786849767.db2.gz NSTWSENPDVKSQK-UPJWGTAASA-N 1 0 349.399 -1.533 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556411 786850053 /nfs/dbraw/zinc/85/00/53/786850053.db2.gz NSTWSENPDVKSQK-XQQFMLRXSA-N 1 0 349.399 -1.533 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129556512 786849826 /nfs/dbraw/zinc/84/98/26/786849826.db2.gz PCTFXELYBQNRKY-RTXFEEFZSA-N 1 0 346.395 -1.199 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129556515 786849147 /nfs/dbraw/zinc/84/91/47/786849147.db2.gz PCTFXELYBQNRKY-UHTWSYAYSA-N 1 0 346.395 -1.199 20 0 EAADRO COCCCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556570 786849280 /nfs/dbraw/zinc/84/92/80/786849280.db2.gz QFYRTQQLKFUVTP-OLZOCXBDSA-N 1 0 349.399 -1.267 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556573 786849244 /nfs/dbraw/zinc/84/92/44/786849244.db2.gz QIFUPYNFRNCEPP-TUAOUCFPSA-N 1 0 335.372 -1.659 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556574 786850181 /nfs/dbraw/zinc/85/01/81/786850181.db2.gz QIFUPYNFRNCEPP-UTUOFQBUSA-N 1 0 335.372 -1.659 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129556579 786850552 /nfs/dbraw/zinc/85/05/52/786850552.db2.gz QNBMCVSXWLTSNG-MNOVXSKESA-N 1 0 325.373 -1.676 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556586 786849852 /nfs/dbraw/zinc/84/98/52/786849852.db2.gz RAYQQMITQCTJOS-TUAOUCFPSA-N 1 0 335.372 -1.659 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556587 786850119 /nfs/dbraw/zinc/85/01/19/786850119.db2.gz RAYQQMITQCTJOS-UTUOFQBUSA-N 1 0 335.372 -1.659 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129556597 786849510 /nfs/dbraw/zinc/84/95/10/786849510.db2.gz RWWWEMRAOWDWHN-MNOVXSKESA-N 1 0 325.373 -1.676 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556608 786849811 /nfs/dbraw/zinc/84/98/11/786849811.db2.gz SDZSVFUHZGCACC-AXFHLTTASA-N 1 0 348.371 -2.559 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556609 786850464 /nfs/dbraw/zinc/85/04/64/786850464.db2.gz SDZSVFUHZGCACC-MXWKQRLJSA-N 1 0 348.371 -2.559 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1)OC ZINC001129556619 786849965 /nfs/dbraw/zinc/84/99/65/786849965.db2.gz SJOMFNIETDAMDS-UPJWGTAASA-N 1 0 349.399 -1.269 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1)OC ZINC001129556752 786850275 /nfs/dbraw/zinc/85/02/75/786850275.db2.gz SJOMFNIETDAMDS-XQQFMLRXSA-N 1 0 349.399 -1.269 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001129556869 786849974 /nfs/dbraw/zinc/84/99/74/786849974.db2.gz VVJBTKXKEYBRMG-NEPJUHHUSA-N 1 0 349.395 -2.012 20 0 EAADRO CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556875 786850058 /nfs/dbraw/zinc/85/00/58/786850058.db2.gz WHDYXINQOBALGT-OLZOCXBDSA-N 1 0 349.399 -1.267 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556883 786849519 /nfs/dbraw/zinc/84/95/19/786849519.db2.gz WQGOINQMZWGWHF-MNOVXSKESA-N 1 0 348.371 -2.558 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)cn1 ZINC001129556896 786850063 /nfs/dbraw/zinc/85/00/63/786850063.db2.gz XIVXMHKABRMTAK-KGLIPLIRSA-N 1 0 349.395 -1.324 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129556901 786849928 /nfs/dbraw/zinc/84/99/28/786849928.db2.gz XNQQNUPIZQSSHO-MNOVXSKESA-N 1 0 341.372 -2.703 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 ZINC001129556904 786849590 /nfs/dbraw/zinc/84/95/90/786849590.db2.gz XQMZGPIDLFYHMI-ZJUUUORDSA-N 1 0 334.344 -2.948 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129557176 786850089 /nfs/dbraw/zinc/85/00/89/786850089.db2.gz CTQXPZXOTJUTTC-UHFFFAOYSA-N 1 0 325.369 -1.252 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc3n(n2)CCO3)CCO1 ZINC001129557447 786851773 /nfs/dbraw/zinc/85/17/73/786851773.db2.gz HOBGYRYRCJPDNA-LLVKDONJSA-N 1 0 337.380 -1.158 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc3n(n2)CCO3)CCO1 ZINC001129557448 786851108 /nfs/dbraw/zinc/85/11/08/786851108.db2.gz HOBGYRYRCJPDNA-NSHDSACASA-N 1 0 337.380 -1.158 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129557761 786856161 /nfs/dbraw/zinc/85/61/61/786856161.db2.gz NPUQQZIENWPOTC-LLVKDONJSA-N 1 0 328.369 -1.381 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129557762 786856456 /nfs/dbraw/zinc/85/64/56/786856456.db2.gz NPUQQZIENWPOTC-NSHDSACASA-N 1 0 328.369 -1.381 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)c1cc2n(n1)CCO2 ZINC001129557977 786856193 /nfs/dbraw/zinc/85/61/93/786856193.db2.gz OCFJSJSRHSBKOG-NSHDSACASA-N 1 0 337.380 -1.422 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1cc2n(n1)CCO2 ZINC001129557986 786855950 /nfs/dbraw/zinc/85/59/50/786855950.db2.gz OMKYACJGNOANOQ-UHFFFAOYSA-N 1 0 336.352 -1.463 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129558941 786855182 /nfs/dbraw/zinc/85/51/82/786855182.db2.gz DTQAVHTUKHAVCB-NEPJUHHUSA-N 1 0 347.383 -1.815 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129559161 786856633 /nfs/dbraw/zinc/85/66/33/786856633.db2.gz PNKAZHSDVFCLKT-NEPJUHHUSA-N 1 0 333.352 -1.189 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129564109 786851414 /nfs/dbraw/zinc/85/14/14/786851414.db2.gz AFWPVQVQPYUULV-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129564627 786851814 /nfs/dbraw/zinc/85/18/14/786851814.db2.gz FMYKBEMXVLNVEZ-UPJWGTAASA-N 1 0 336.396 -1.113 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129564628 786851505 /nfs/dbraw/zinc/85/15/05/786851505.db2.gz FMYKBEMXVLNVEZ-XQQFMLRXSA-N 1 0 336.396 -1.113 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129564886 786851303 /nfs/dbraw/zinc/85/13/03/786851303.db2.gz KTGKQMSQFORHCX-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129564887 786852458 /nfs/dbraw/zinc/85/24/58/786852458.db2.gz KTGKQMSQFORHCX-XQQFMLRXSA-N 1 0 336.396 -1.065 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129564970 786851003 /nfs/dbraw/zinc/85/10/03/786851003.db2.gz MEGPRAVNYZBRKV-OLZOCXBDSA-N 1 0 327.385 -1.335 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129565254 786852570 /nfs/dbraw/zinc/85/25/70/786852570.db2.gz VADADHBVMHKTPB-ZJUUUORDSA-N 1 0 339.356 -2.149 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001129565303 786851678 /nfs/dbraw/zinc/85/16/78/786851678.db2.gz WSNSFZDLEJLDBC-UPJWGTAASA-N 1 0 327.385 -1.337 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001129565304 786852231 /nfs/dbraw/zinc/85/22/31/786852231.db2.gz WSNSFZDLEJLDBC-XQQFMLRXSA-N 1 0 327.385 -1.337 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129568671 786852045 /nfs/dbraw/zinc/85/20/45/786852045.db2.gz JIGHPNJXQZLHAB-OLZOCXBDSA-N 1 0 336.396 -1.065 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1cnn2ccncc12 ZINC001129568713 786852671 /nfs/dbraw/zinc/85/26/71/786852671.db2.gz AMGBZXCXAJRTFR-UHFFFAOYSA-N 1 0 345.363 -1.009 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CCOCC1=O)Nc1nncs1 ZINC001129568746 786851177 /nfs/dbraw/zinc/85/11/77/786851177.db2.gz BDDOWUDXJKFCBH-UHFFFAOYSA-N 1 0 342.381 -1.959 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)CN2CCOCC2=O)n1 ZINC001129568784 786851972 /nfs/dbraw/zinc/85/19/72/786851972.db2.gz CABRPPNSRSCYPW-UHFFFAOYSA-N 1 0 325.369 -1.125 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129568843 786851946 /nfs/dbraw/zinc/85/19/46/786851946.db2.gz DEDCNTIRGDABPN-SECBINFHSA-N 1 0 338.368 -1.171 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129568844 786851794 /nfs/dbraw/zinc/85/17/94/786851794.db2.gz DEDCNTIRGDABPN-VIFPVBQESA-N 1 0 338.368 -1.171 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129568927 786852599 /nfs/dbraw/zinc/85/25/99/786852599.db2.gz MIUOVXDIYRNDSA-NEPJUHHUSA-N 1 0 345.425 -1.299 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129569109 786851718 /nfs/dbraw/zinc/85/17/18/786851718.db2.gz QPECBHYQESSPMC-MCIONIFRSA-N 1 0 349.395 -1.326 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129569112 786852365 /nfs/dbraw/zinc/85/23/65/786852365.db2.gz QPECBHYQESSPMC-MJBXVCDLSA-N 1 0 349.395 -1.326 20 0 EAADRO CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129569119 786851397 /nfs/dbraw/zinc/85/13/97/786851397.db2.gz QSPNFSBOGHXWSD-OLZOCXBDSA-N 1 0 336.396 -1.112 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129569179 786852746 /nfs/dbraw/zinc/85/27/46/786852746.db2.gz GLEZERQCKUQCBE-UHFFFAOYSA-N 1 0 326.382 -1.402 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001129569188 786852307 /nfs/dbraw/zinc/85/23/07/786852307.db2.gz GSPIBOHAHJYBDS-UHFFFAOYSA-N 1 0 348.425 -2.414 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001129569224 786850946 /nfs/dbraw/zinc/85/09/46/786850946.db2.gz RSEZYPZIHXQTTH-OLZOCXBDSA-N 1 0 336.396 -1.112 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cnn2ccncc12 ZINC001129569252 786851709 /nfs/dbraw/zinc/85/17/09/786851709.db2.gz HWEBYFXWPHLDQG-UHFFFAOYSA-N 1 0 331.336 -1.400 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129569514 786852630 /nfs/dbraw/zinc/85/26/30/786852630.db2.gz WUPRINWYXRIQPD-OLZOCXBDSA-N 1 0 346.395 -1.197 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129569565 786851628 /nfs/dbraw/zinc/85/16/28/786851628.db2.gz YNBKGXMVLACUNE-MNOVXSKESA-N 1 0 333.352 -1.024 20 0 EAADRO O=C(CN1CCCC1=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129569631 786851385 /nfs/dbraw/zinc/85/13/85/786851385.db2.gz ZYTOVZZCHQXDIU-OLZOCXBDSA-N 1 0 336.396 -1.376 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001129569647 786851265 /nfs/dbraw/zinc/85/12/65/786851265.db2.gz JWESCLHMWGSOCD-GFCCVEGCSA-N 1 0 347.437 -1.624 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001129569648 786851497 /nfs/dbraw/zinc/85/14/97/786851497.db2.gz JWESCLHMWGSOCD-LBPRGKRZSA-N 1 0 347.437 -1.624 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129569652 786852656 /nfs/dbraw/zinc/85/26/56/786852656.db2.gz JZQLIHKKIDZOHU-LBPRGKRZSA-N 1 0 342.396 -2.466 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)CN2CCOCC2=O)CC1 ZINC001129569655 786851223 /nfs/dbraw/zinc/85/12/23/786851223.db2.gz KARNHXWXZPQYPY-UHFFFAOYSA-N 1 0 347.437 -1.624 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129569668 786852174 /nfs/dbraw/zinc/85/21/74/786852174.db2.gz KIKLAKYOLWMZOP-SECBINFHSA-N 1 0 333.352 -1.107 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129569669 786851459 /nfs/dbraw/zinc/85/14/59/786851459.db2.gz KIKLAKYOLWMZOP-VIFPVBQESA-N 1 0 333.352 -1.107 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129569691 786851895 /nfs/dbraw/zinc/85/18/95/786851895.db2.gz KYZXLSYYZWWYKG-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001129569751 786852006 /nfs/dbraw/zinc/85/20/06/786852006.db2.gz MBNPHRJLRZKKJM-UHFFFAOYSA-N 1 0 347.437 -1.624 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129570041 786851981 /nfs/dbraw/zinc/85/19/81/786851981.db2.gz NZDXSKCGWWBZRD-UHFFFAOYSA-N 1 0 340.409 -1.012 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CN1CCOCC1=O)S(C)(=O)=O ZINC001129570473 786852409 /nfs/dbraw/zinc/85/24/09/786852409.db2.gz WFJLGVGSGHREMV-UHFFFAOYSA-N 1 0 336.414 -2.558 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001129570658 786851902 /nfs/dbraw/zinc/85/19/02/786851902.db2.gz ZKTZTJOXADJPDI-SECBINFHSA-N 1 0 327.303 -1.136 20 0 EAADRO O=C(CN1CCOCC1=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001129570659 786852649 /nfs/dbraw/zinc/85/26/49/786852649.db2.gz ZKTZTJOXADJPDI-VIFPVBQESA-N 1 0 327.303 -1.136 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129572735 786852583 /nfs/dbraw/zinc/85/25/83/786852583.db2.gz BRNGFXSHTZDUAK-AEJSXWLSSA-N 1 0 336.356 -2.824 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129572739 786852286 /nfs/dbraw/zinc/85/22/86/786852286.db2.gz BRNGFXSHTZDUAK-BBBLOLIVSA-N 1 0 336.356 -2.824 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129573106 786852425 /nfs/dbraw/zinc/85/24/25/786852425.db2.gz GRPBHGMSNJVXCD-OLZOCXBDSA-N 1 0 344.379 -1.117 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1n1ccnn1 ZINC001129573227 786850975 /nfs/dbraw/zinc/85/09/75/786850975.db2.gz KOXHTQNEUSEBCD-MNOVXSKESA-N 1 0 346.351 -1.544 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 ZINC001129573242 786852327 /nfs/dbraw/zinc/85/23/27/786852327.db2.gz LAZDAOKFCBZUBF-NEPJUHHUSA-N 1 0 332.368 -1.738 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 ZINC001129573247 786853413 /nfs/dbraw/zinc/85/34/13/786853413.db2.gz 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CC[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129589153 786858180 /nfs/dbraw/zinc/85/81/80/786858180.db2.gz AWPMCWYEOHNLBX-MXWKQRLJSA-N 1 0 337.384 -1.139 20 0 EAADRO CC(C)C(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129589204 786858366 /nfs/dbraw/zinc/85/83/66/786858366.db2.gz CMNFZNVBODRGCO-NEPJUHHUSA-N 1 0 344.441 -1.175 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129589544 786857172 /nfs/dbraw/zinc/85/71/72/786857172.db2.gz OOPRROOJBDVBAT-MNOVXSKESA-N 1 0 337.384 -1.269 20 0 EAADRO CC(C)C(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129589558 786858754 /nfs/dbraw/zinc/85/87/54/786858754.db2.gz OZLNIEHQOLFJHW-AXFHLTTASA-N 1 0 337.384 -1.141 20 0 EAADRO CC(C)C(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129589559 786858026 /nfs/dbraw/zinc/85/80/26/786858026.db2.gz OZLNIEHQOLFJHW-MXWKQRLJSA-N 1 0 337.384 -1.141 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129589732 786858435 /nfs/dbraw/zinc/85/84/35/786858435.db2.gz VICZAKMFSWNYEM-NEPJUHHUSA-N 1 0 347.383 -1.953 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001129589831 786858063 /nfs/dbraw/zinc/85/80/63/786858063.db2.gz ZUBSAFXLSNSKAA-OLZOCXBDSA-N 1 0 346.395 -1.348 20 0 EAADRO O=C(c1cc[nH]n1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129593833 786858566 /nfs/dbraw/zinc/85/85/66/786858566.db2.gz AELRCULWQVZKIK-OLZOCXBDSA-N 1 0 335.368 -1.335 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 ZINC001129593926 786857420 /nfs/dbraw/zinc/85/74/20/786857420.db2.gz FEXIQCNSDUSQPK-AGIUHOORSA-N 1 0 325.369 -1.319 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 ZINC001129593927 786857118 /nfs/dbraw/zinc/85/71/18/786857118.db2.gz FEXIQCNSDUSQPK-FRRDWIJNSA-N 1 0 325.369 -1.319 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129594240 786858733 /nfs/dbraw/zinc/85/87/33/786858733.db2.gz JOIQQMJOXVHPQV-RTXFEEFZSA-N 1 0 335.368 -1.336 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129594246 786858494 /nfs/dbraw/zinc/85/84/94/786858494.db2.gz JOIQQMJOXVHPQV-UHTWSYAYSA-N 1 0 335.368 -1.336 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129594441 786857462 /nfs/dbraw/zinc/85/74/62/786857462.db2.gz KAULMZFNUVIEKK-NEPJUHHUSA-N 1 0 332.368 -1.207 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129594449 786857756 /nfs/dbraw/zinc/85/77/56/786857756.db2.gz KJWSHQYUNLEDDF-ZJUUUORDSA-N 1 0 347.339 -2.149 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1)NC1CC1 ZINC001129594769 786857954 /nfs/dbraw/zinc/85/79/54/786857954.db2.gz PWHGJGUMJOQAKR-OLZOCXBDSA-N 1 0 344.379 -1.065 20 0 EAADRO O=C([C@@H]1COCCO1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129594943 786858721 /nfs/dbraw/zinc/85/87/21/786858721.db2.gz UAWFCYHZDIZJEJ-AGIUHOORSA-N 1 0 325.369 -1.583 20 0 EAADRO O=C([C@H]1COCCO1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129594944 786858914 /nfs/dbraw/zinc/85/89/14/786858914.db2.gz UAWFCYHZDIZJEJ-FRRDWIJNSA-N 1 0 325.369 -1.583 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 ZINC001129595019 786856940 /nfs/dbraw/zinc/85/69/40/786856940.db2.gz VOXKINMSYDHPBD-GRYCIOLGSA-N 1 0 338.368 -2.219 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 ZINC001129595021 786857912 /nfs/dbraw/zinc/85/79/12/786857912.db2.gz VOXKINMSYDHPBD-WOPDTQHZSA-N 1 0 338.368 -2.219 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129595031 786858394 /nfs/dbraw/zinc/85/83/94/786858394.db2.gz VUVDPSHQMIKNEI-NEPJUHHUSA-N 1 0 332.368 -1.255 20 0 EAADRO Cc1nn(C)cc1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129596626 786858818 /nfs/dbraw/zinc/85/88/18/786858818.db2.gz CFSPYSSGZKJHIU-UHFFFAOYSA-N 1 0 336.396 -2.065 20 0 EAADRO Cc1nn(C)cc1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001129596711 786858615 /nfs/dbraw/zinc/85/86/15/786858615.db2.gz DNPFYVWQSIIBRM-UHFFFAOYSA-N 1 0 331.442 -1.132 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1cn(C)nc1C ZINC001129597036 786856985 /nfs/dbraw/zinc/85/69/85/786856985.db2.gz JOZOVVFEHZMKGB-UHFFFAOYSA-N 1 0 331.442 -1.084 20 0 EAADRO Cc1nn(C)cc1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129597300 786857392 /nfs/dbraw/zinc/85/73/92/786857392.db2.gz PPRPSDUFNWHCQH-UHFFFAOYSA-N 1 0 336.396 -1.081 20 0 EAADRO Cc1nn(C)cc1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001129597511 786857444 /nfs/dbraw/zinc/85/74/44/786857444.db2.gz UMFZOFVPCKOZER-UHFFFAOYSA-N 1 0 336.396 -1.035 20 0 EAADRO Cc1nn(C)cc1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129597542 786858708 /nfs/dbraw/zinc/85/87/08/786858708.db2.gz VELBDYNMLWTLEN-AWEZNQCLSA-N 1 0 337.424 -1.040 20 0 EAADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001129598129 786856214 /nfs/dbraw/zinc/85/62/14/786856214.db2.gz AILLLXPPJMIILZ-OLZOCXBDSA-N 1 0 346.395 -1.035 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129598350 786855962 /nfs/dbraw/zinc/85/59/62/786855962.db2.gz IFMQAAALLDUQRJ-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO O=C(CCn1cncn1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129598595 786855617 /nfs/dbraw/zinc/85/56/17/786855617.db2.gz OIFXCJUTTWQXOP-OLZOCXBDSA-N 1 0 334.384 -1.316 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@@H]1n1ccnn1 ZINC001129599013 786855496 /nfs/dbraw/zinc/85/54/96/786855496.db2.gz ZHYOFYKCLWJHPW-OLZOCXBDSA-N 1 0 346.395 -1.279 20 0 EAADRO Cc1nn(C)cc1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001129599835 786855825 /nfs/dbraw/zinc/85/58/25/786855825.db2.gz BZUTYORRZAQWFK-UHFFFAOYSA-N 1 0 348.407 -1.426 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cnn2ncccc12)S(C)(=O)=O ZINC001129599967 786856351 /nfs/dbraw/zinc/85/63/51/786856351.db2.gz FGPFAULHJHYUDE-UHFFFAOYSA-N 1 0 340.409 -1.060 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129603534 786855058 /nfs/dbraw/zinc/85/50/58/786855058.db2.gz BAOJNBLRUHXAHQ-JLLWLGSASA-N 1 0 337.384 -2.028 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129603535 786855656 /nfs/dbraw/zinc/85/56/56/786855656.db2.gz BAOJNBLRUHXAHQ-WCQGTBRESA-N 1 0 337.384 -2.028 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1n1ccnn1 ZINC001129603767 786856654 /nfs/dbraw/zinc/85/66/54/786856654.db2.gz JWKJEHZVHZMDBC-UPJWGTAASA-N 1 0 346.395 -1.177 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@@H]1n1ccnn1 ZINC001129603768 786855854 /nfs/dbraw/zinc/85/58/54/786855854.db2.gz JWKJEHZVHZMDBC-XQQFMLRXSA-N 1 0 346.395 -1.177 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129603936 786856537 /nfs/dbraw/zinc/85/65/37/786856537.db2.gz QJCJCYPIXKLCTD-UPJWGTAASA-N 1 0 349.395 -2.014 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129603937 786855030 /nfs/dbraw/zinc/85/50/30/786855030.db2.gz QJCJCYPIXKLCTD-XQQFMLRXSA-N 1 0 349.395 -2.014 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129604067 786856087 /nfs/dbraw/zinc/85/60/87/786856087.db2.gz VVGBJOPONFAOGF-JLLWLGSASA-N 1 0 332.368 -1.209 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129604068 786855246 /nfs/dbraw/zinc/85/52/46/786855246.db2.gz VVGBJOPONFAOGF-WCQGTBRESA-N 1 0 332.368 -1.209 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1 ZINC001129604152 786855129 /nfs/dbraw/zinc/85/51/29/786855129.db2.gz YODPRECRDOIVTI-NEPJUHHUSA-N 1 0 337.384 -2.156 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnn2ncccc12 ZINC001129606247 786855811 /nfs/dbraw/zinc/85/58/11/786855811.db2.gz FQABHTPAYCDHLP-UHFFFAOYSA-N 1 0 340.409 -1.012 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnn2ncccc12 ZINC001129606602 786856425 /nfs/dbraw/zinc/85/64/25/786856425.db2.gz IZCRQAIIXZIEIK-UHFFFAOYSA-N 1 0 326.382 -1.402 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cnn2ncccc12 ZINC001129606950 786855789 /nfs/dbraw/zinc/85/57/89/786855789.db2.gz LENNJUNRTWXFTK-UHFFFAOYSA-N 1 0 331.336 -1.400 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1cnn2ncccc12 ZINC001129607017 786855073 /nfs/dbraw/zinc/85/50/73/786855073.db2.gz PRHHBDDVHCUPRU-UHFFFAOYSA-N 1 0 345.363 -1.009 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn2ncccc12 ZINC001129607507 786856139 /nfs/dbraw/zinc/85/61/39/786856139.db2.gz YERBCVUUFNJJDO-SECBINFHSA-N 1 0 333.352 -1.107 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn2ncccc12 ZINC001129607508 786855689 /nfs/dbraw/zinc/85/56/89/786855689.db2.gz YERBCVUUFNJJDO-VIFPVBQESA-N 1 0 333.352 -1.107 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129607837 786855408 /nfs/dbraw/zinc/85/54/08/786855408.db2.gz DLFLCXUDXVFOHT-NEPJUHHUSA-N 1 0 332.368 -1.255 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129607846 786856405 /nfs/dbraw/zinc/85/64/05/786856405.db2.gz DXKLJGIJRTUAFK-ZJUUUORDSA-N 1 0 347.339 -2.149 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1)NC1CC1 ZINC001129607915 786854911 /nfs/dbraw/zinc/85/49/11/786854911.db2.gz FQWFDMFLKHJRHZ-OLZOCXBDSA-N 1 0 344.379 -1.065 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129608092 786857687 /nfs/dbraw/zinc/85/76/87/786857687.db2.gz KWDIAJBJYKZCTD-UPJWGTAASA-N 1 0 335.368 -1.336 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129608093 786857847 /nfs/dbraw/zinc/85/78/47/786857847.db2.gz KWDIAJBJYKZCTD-XQQFMLRXSA-N 1 0 335.368 -1.336 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129608161 786858670 /nfs/dbraw/zinc/85/86/70/786858670.db2.gz NAEIKFOZIPTQFT-NEPJUHHUSA-N 1 0 332.368 -1.207 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129608178 786858869 /nfs/dbraw/zinc/85/88/69/786858869.db2.gz NHVPBZZTWYKUAA-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129608179 786857012 /nfs/dbraw/zinc/85/70/12/786857012.db2.gz NHVPBZZTWYKUAA-XQQFMLRXSA-N 1 0 336.396 -1.065 20 0 EAADRO O=C(c1cn[nH]c1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129608478 786857272 /nfs/dbraw/zinc/85/72/72/786857272.db2.gz SGDBLWZJMJOAMU-OLZOCXBDSA-N 1 0 335.368 -1.335 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 ZINC001129608583 786857836 /nfs/dbraw/zinc/85/78/36/786857836.db2.gz STMRAPILIGKJFI-BDAKNGLRSA-N 1 0 336.381 -1.469 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129608813 786857138 /nfs/dbraw/zinc/85/71/38/786857138.db2.gz ZPBWSXJORFRSSG-JLLWLGSASA-N 1 0 332.368 -1.209 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129608814 786857082 /nfs/dbraw/zinc/85/70/82/786857082.db2.gz ZPBWSXJORFRSSG-WCQGTBRESA-N 1 0 332.368 -1.209 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 ZINC001129612763 786859451 /nfs/dbraw/zinc/85/94/51/786859451.db2.gz CEVABZWRYAMAFG-ZJUUUORDSA-N 1 0 336.381 -1.469 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@@H]1n1ccnn1 ZINC001129613198 786856851 /nfs/dbraw/zinc/85/68/51/786856851.db2.gz OBNICCXOHYAFLO-OLZOCXBDSA-N 1 0 344.379 -1.222 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129617546 786857035 /nfs/dbraw/zinc/85/70/35/786857035.db2.gz BRZSDNWWIQLERK-OLZOCXBDSA-N 1 0 336.396 -1.208 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129617717 786858516 /nfs/dbraw/zinc/85/85/16/786858516.db2.gz FAWYCIYTQIHVCH-ZJUUUORDSA-N 1 0 348.323 -1.884 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129617877 786857534 /nfs/dbraw/zinc/85/75/34/786857534.db2.gz JFXABNJJUQJGPL-MNOVXSKESA-N 1 0 335.368 -2.369 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129618048 786857199 /nfs/dbraw/zinc/85/71/99/786857199.db2.gz MTYGMQUPXXNEKA-RTXFEEFZSA-N 1 0 336.352 -1.071 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129618049 786857260 /nfs/dbraw/zinc/85/72/60/786857260.db2.gz MTYGMQUPXXNEKA-UHTWSYAYSA-N 1 0 336.352 -1.071 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129618084 786858044 /nfs/dbraw/zinc/85/80/44/786858044.db2.gz OBVOLBNLRWZJHK-RTXFEEFZSA-N 1 0 336.396 -1.473 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129618085 786857318 /nfs/dbraw/zinc/85/73/18/786857318.db2.gz OBVOLBNLRWZJHK-UHTWSYAYSA-N 1 0 336.396 -1.473 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129618242 786858001 /nfs/dbraw/zinc/85/80/01/786858001.db2.gz QEMBJVLVMIPFKP-NEPJUHHUSA-N 1 0 349.395 -2.108 20 0 EAADRO O=C(CNC(=O)C1CC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129618284 786858660 /nfs/dbraw/zinc/85/86/60/786858660.db2.gz RAVDMHISZCCOLU-OLZOCXBDSA-N 1 0 336.396 -1.472 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001129618296 786857585 /nfs/dbraw/zinc/85/75/85/786857585.db2.gz RLNGPOFVOJRUEY-JLLWLGSASA-N 1 0 349.395 -1.980 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001129618297 786857931 /nfs/dbraw/zinc/85/79/31/786857931.db2.gz RLNGPOFVOJRUEY-WCQGTBRESA-N 1 0 349.395 -1.980 20 0 EAADRO O=C(c1ccon1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129619017 786857632 /nfs/dbraw/zinc/85/76/32/786857632.db2.gz ZRGOCPBTBDTHFO-OLZOCXBDSA-N 1 0 336.352 -1.070 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc2c1NC(=O)CO2 ZINC001129620162 786857557 /nfs/dbraw/zinc/85/75/57/786857557.db2.gz GYGOSYHCBWECLL-UHFFFAOYSA-N 1 0 349.347 -1.208 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc2c1NC(=O)CO2 ZINC001129620333 786857402 /nfs/dbraw/zinc/85/74/02/786857402.db2.gz ORABOXGVDZHCFJ-UHFFFAOYSA-N 1 0 335.320 -1.468 20 0 EAADRO O=C(COCC1CC1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129623859 786857292 /nfs/dbraw/zinc/85/72/92/786857292.db2.gz BBVHAHWUCUZXCZ-MCIONIFRSA-N 1 0 348.407 -1.065 20 0 EAADRO O=C(COCC1CC1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129623862 786858244 /nfs/dbraw/zinc/85/82/44/786858244.db2.gz BBVHAHWUCUZXCZ-MJBXVCDLSA-N 1 0 348.407 -1.065 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001129624266 786856873 /nfs/dbraw/zinc/85/68/73/786856873.db2.gz HELCIZXLQQRPDA-BNOWGMLFSA-N 1 0 349.395 -1.028 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001129624276 786857824 /nfs/dbraw/zinc/85/78/24/786857824.db2.gz HELCIZXLQQRPDA-YUTCNCBUSA-N 1 0 349.395 -1.028 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1n1ccnn1 ZINC001129624320 786858927 /nfs/dbraw/zinc/85/89/27/786858927.db2.gz IQEBDZBPGWFVDP-OLZOCXBDSA-N 1 0 336.396 -1.208 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001129624468 786858275 /nfs/dbraw/zinc/85/82/75/786858275.db2.gz MKDJFCCUUFWNBL-RTXFEEFZSA-N 1 0 336.396 -1.080 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001129624469 786857331 /nfs/dbraw/zinc/85/73/31/786857331.db2.gz MKDJFCCUUFWNBL-UHTWSYAYSA-N 1 0 336.396 -1.080 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001129624718 786857218 /nfs/dbraw/zinc/85/72/18/786857218.db2.gz QGPGUYONGINCKM-NEPJUHHUSA-N 1 0 332.368 -1.289 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cccc2c1NC(=O)CO2)C(=O)NC(N)=O ZINC001129624947 786858541 /nfs/dbraw/zinc/85/85/41/786858541.db2.gz UKHLTOYLQISNML-MRVPVSSYSA-N 1 0 349.347 -1.080 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cccc2c1NC(=O)CO2)C(=O)NC(N)=O ZINC001129624948 786858466 /nfs/dbraw/zinc/85/84/66/786858466.db2.gz UKHLTOYLQISNML-QMMMGPOBSA-N 1 0 349.347 -1.080 20 0 EAADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001129624982 786858689 /nfs/dbraw/zinc/85/86/89/786858689.db2.gz WHYMVKLGZISWAI-KGLIPLIRSA-N 1 0 349.395 -1.026 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc2nccnc2c1 ZINC001129629390 786857899 /nfs/dbraw/zinc/85/78/99/786857899.db2.gz OHAQMJUEERYNSK-UHFFFAOYSA-N 1 0 331.336 -1.200 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129633033 786857881 /nfs/dbraw/zinc/85/78/81/786857881.db2.gz CIOLZIBJKXIFHK-AEJSXWLSSA-N 1 0 339.356 -2.151 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129633034 786857857 /nfs/dbraw/zinc/85/78/57/786857857.db2.gz CIOLZIBJKXIFHK-BBBLOLIVSA-N 1 0 339.356 -2.151 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129633077 786858171 /nfs/dbraw/zinc/85/81/71/786858171.db2.gz DFMNFQOZDUSQER-AXFHLTTASA-N 1 0 326.357 -1.644 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129633082 786859471 /nfs/dbraw/zinc/85/94/71/786859471.db2.gz DFMNFQOZDUSQER-MXWKQRLJSA-N 1 0 326.357 -1.644 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129633267 786860503 /nfs/dbraw/zinc/86/05/03/786860503.db2.gz IPJFKYRCLIZDJS-BDAKNGLRSA-N 1 0 325.329 -2.539 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1n1ccnn1 ZINC001129633908 786859431 /nfs/dbraw/zinc/85/94/31/786859431.db2.gz UMSJBXHUZPAPLM-ZJUUUORDSA-N 1 0 339.356 -2.278 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1n1ccnn1 ZINC001129633934 786859348 /nfs/dbraw/zinc/85/93/48/786859348.db2.gz VFCYPOKVFRMFAW-OLZOCXBDSA-N 1 0 346.395 -1.279 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1n1ccnn1 ZINC001129634012 786859729 /nfs/dbraw/zinc/85/97/29/786859729.db2.gz YQZVBFALMZLPOB-MNOVXSKESA-N 1 0 326.357 -1.378 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@@H]1n1ccnn1 ZINC001129634016 786860819 /nfs/dbraw/zinc/86/08/19/786860819.db2.gz YSYXKSNLTATFLI-YPMHNXCESA-N 1 0 346.395 -1.279 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129637623 786860473 /nfs/dbraw/zinc/86/04/73/786860473.db2.gz CNFDTLJYNWWRSA-NEPJUHHUSA-N 1 0 345.425 -1.299 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129637648 786860539 /nfs/dbraw/zinc/86/05/39/786860539.db2.gz FLCBHYHRELVSPQ-MNOVXSKESA-N 1 0 331.398 -1.953 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@@H]1n1ccnn1 ZINC001129637658 786859960 /nfs/dbraw/zinc/85/99/60/786859960.db2.gz FTOZYMQTNTZUJM-MNOVXSKESA-N 1 0 333.352 -1.024 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129638062 786859595 /nfs/dbraw/zinc/85/95/95/786859595.db2.gz PDLHOXJVRZIEBN-MNOVXSKESA-N 1 0 331.398 -1.689 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129638361 786859178 /nfs/dbraw/zinc/85/91/78/786859178.db2.gz UEJBIHSRLMAASE-MNOVXSKESA-N 1 0 326.357 -1.642 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1n1ccnn1 ZINC001129638373 786860278 /nfs/dbraw/zinc/86/02/78/786860278.db2.gz USZVKINCBCLMOW-OLZOCXBDSA-N 1 0 346.395 -1.429 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129638416 786860310 /nfs/dbraw/zinc/86/03/10/786860310.db2.gz XAMKXTLCEFFNPH-NEPJUHHUSA-N 1 0 345.425 -1.299 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cnc2nccnc2c1)C(=O)NC(N)=O ZINC001129640307 786860942 /nfs/dbraw/zinc/86/09/42/786860942.db2.gz KEONWXNIXYSIGE-MRVPVSSYSA-N 1 0 331.336 -1.072 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cnc2nccnc2c1)C(=O)NC(N)=O ZINC001129640308 786860974 /nfs/dbraw/zinc/86/09/74/786860974.db2.gz KEONWXNIXYSIGE-QMMMGPOBSA-N 1 0 331.336 -1.072 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001129640493 786859301 /nfs/dbraw/zinc/85/93/01/786859301.db2.gz NLNPWFLJCWRCFX-LLVKDONJSA-N 1 0 333.348 -1.586 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001129640496 786860391 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CO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129646248 786859941 /nfs/dbraw/zinc/85/99/41/786859941.db2.gz JNIYGGBCVSARPY-UTUOFQBUSA-N 1 0 345.425 -1.301 20 0 EAADRO CO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129646317 786860598 /nfs/dbraw/zinc/86/05/98/786860598.db2.gz KUNHFKOCWXJVCF-RTXFEEFZSA-N 1 0 336.396 -1.067 20 0 EAADRO CO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129646318 786860747 /nfs/dbraw/zinc/86/07/47/786860747.db2.gz KUNHFKOCWXJVCF-UHTWSYAYSA-N 1 0 336.396 -1.067 20 0 EAADRO CO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129646738 786859891 /nfs/dbraw/zinc/85/98/91/786859891.db2.gz NNJVGNIHTPCOSG-UPJWGTAASA-N 1 0 327.385 -1.337 20 0 EAADRO CO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129646739 786859259 /nfs/dbraw/zinc/85/92/59/786859259.db2.gz NNJVGNIHTPCOSG-XQQFMLRXSA-N 1 0 327.385 -1.337 20 0 EAADRO CO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129647081 786859209 /nfs/dbraw/zinc/85/92/09/786859209.db2.gz OUFQKXODWFFMCK-AEJSXWLSSA-N 1 0 339.356 -2.151 20 0 EAADRO CO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129647082 786859570 /nfs/dbraw/zinc/85/95/70/786859570.db2.gz OUFQKXODWFFMCK-BBBLOLIVSA-N 1 0 339.356 -2.151 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129647083 786860133 /nfs/dbraw/zinc/86/01/33/786860133.db2.gz OVAREYODGNKEMT-UPJWGTAASA-N 1 0 338.412 -1.083 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129647084 786860197 /nfs/dbraw/zinc/86/01/97/786860197.db2.gz OVAREYODGNKEMT-XQQFMLRXSA-N 1 0 338.412 -1.083 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)c2ccccc21)C(=O)NC(N)=O ZINC001129647213 786861032 /nfs/dbraw/zinc/86/10/32/786861032.db2.gz HRFIVAFGHKBKAD-BXKDBHETSA-N 1 0 347.375 -1.197 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)c2ccccc21)C(=O)NC(N)=O ZINC001129647224 786859914 /nfs/dbraw/zinc/85/99/14/786859914.db2.gz HRFIVAFGHKBKAD-CABZTGNLSA-N 1 0 347.375 -1.197 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)c2ccccc21)C(=O)NC(N)=O ZINC001129647228 786860320 /nfs/dbraw/zinc/86/03/20/786860320.db2.gz HRFIVAFGHKBKAD-JOYOIKCWSA-N 1 0 347.375 -1.197 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)c2ccccc21)C(=O)NC(N)=O ZINC001129647231 786860209 /nfs/dbraw/zinc/86/02/09/786860209.db2.gz HRFIVAFGHKBKAD-SKDRFNHKSA-N 1 0 347.375 -1.197 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129647383 786860888 /nfs/dbraw/zinc/86/08/88/786860888.db2.gz RUDGMEYOIQSMGT-MNOVXSKESA-N 1 0 337.384 -1.979 20 0 EAADRO CCCC(=O)NCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129648100 786860436 /nfs/dbraw/zinc/86/04/36/786860436.db2.gz ZYDLPNQBTWCIJK-OLZOCXBDSA-N 1 0 338.412 -1.082 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129649944 786860576 /nfs/dbraw/zinc/86/05/76/786860576.db2.gz ALUJWGPKRXHJOK-TUAOUCFPSA-N 1 0 345.425 -1.301 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129649945 786859789 /nfs/dbraw/zinc/85/97/89/786859789.db2.gz ALUJWGPKRXHJOK-UTUOFQBUSA-N 1 0 345.425 -1.301 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129650969 786860845 /nfs/dbraw/zinc/86/08/45/786860845.db2.gz MOQPHIAKSCECJV-TUAOUCFPSA-N 1 0 345.425 -1.301 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129650972 786861719 /nfs/dbraw/zinc/86/17/19/786861719.db2.gz MOQPHIAKSCECJV-UTUOFQBUSA-N 1 0 345.425 -1.301 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129651739 786861681 /nfs/dbraw/zinc/86/16/81/786861681.db2.gz SSHMFJPYOZNDSE-LOWDOPEQSA-N 1 0 327.385 -1.338 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129651740 786863460 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GWSPGKZHZYCVED-XQQFMLRXSA-N 1 0 336.396 -1.208 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656056 786862192 /nfs/dbraw/zinc/86/21/92/786862192.db2.gz KTZCYGRFSXKJLV-UPJWGTAASA-N 1 0 336.396 -1.256 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656057 786863066 /nfs/dbraw/zinc/86/30/66/786863066.db2.gz KTZCYGRFSXKJLV-XQQFMLRXSA-N 1 0 336.396 -1.256 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1)NC1CC1 ZINC001129656328 786861518 /nfs/dbraw/zinc/86/15/18/786861518.db2.gz OTTTWZDZLYERKJ-BNOWGMLFSA-N 1 0 348.407 -1.065 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1)NC1CC1 ZINC001129656329 786863028 /nfs/dbraw/zinc/86/30/28/786863028.db2.gz OTTTWZDZLYERKJ-YUTCNCBUSA-N 1 0 348.407 -1.065 20 0 EAADRO O=C([C@@H]1CCOC1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129656536 786862383 /nfs/dbraw/zinc/86/23/83/786862383.db2.gz RATHTYPJNMPMCP-MCIONIFRSA-N 1 0 339.396 -1.335 20 0 EAADRO O=C([C@H]1CCOC1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129656538 786863477 /nfs/dbraw/zinc/86/34/77/786863477.db2.gz RATHTYPJNMPMCP-MJBXVCDLSA-N 1 0 339.396 -1.335 20 0 EAADRO CCCOCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129656611 786862743 /nfs/dbraw/zinc/86/27/43/786862743.db2.gz SQWCJEDHMVORFB-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO CCCOCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129656612 786861693 /nfs/dbraw/zinc/86/16/93/786861693.db2.gz SQWCJEDHMVORFB-XQQFMLRXSA-N 1 0 336.396 -1.065 20 0 EAADRO COc1cc(C)cnc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129657022 786861285 /nfs/dbraw/zinc/86/12/85/786861285.db2.gz BLWRDVBQZAFMAU-UHFFFAOYSA-N 1 0 349.391 -1.324 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129659331 786859371 /nfs/dbraw/zinc/85/93/71/786859371.db2.gz BWGUWALMTDFDCQ-YPMHNXCESA-N 1 0 346.395 -1.245 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129659352 786860616 /nfs/dbraw/zinc/86/06/16/786860616.db2.gz DBLIHYMYJYYRBY-OLZOCXBDSA-N 1 0 346.395 -1.658 20 0 EAADRO Cn1cc(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)cn1 ZINC001129659420 786860494 /nfs/dbraw/zinc/86/04/94/786860494.db2.gz GOZMMKCKWRWEJW-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129659763 786860173 /nfs/dbraw/zinc/86/01/73/786860173.db2.gz UAJLBMGDTMKRCV-PWSUYJOCSA-N 1 0 332.368 -1.587 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129659780 786859492 /nfs/dbraw/zinc/85/94/92/786859492.db2.gz UUNSISGUFZJAPY-YPMHNXCESA-N 1 0 346.395 -1.197 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129663999 786859556 /nfs/dbraw/zinc/85/95/56/786859556.db2.gz CWKNCLMXWISUEL-BZPMIXESSA-N 1 0 349.395 -1.326 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129664000 786860420 /nfs/dbraw/zinc/86/04/20/786860420.db2.gz CWKNCLMXWISUEL-SCRDCRAPSA-N 1 0 349.395 -1.326 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129664014 786859085 /nfs/dbraw/zinc/85/90/85/786859085.db2.gz DPMLXAFUNFYDLH-LOWVWBTDSA-N 1 0 346.395 -1.199 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129664016 786860640 /nfs/dbraw/zinc/86/06/40/786860640.db2.gz DPMLXAFUNFYDLH-WZRBSPASSA-N 1 0 346.395 -1.199 20 0 EAADRO CC(C)OCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129664474 786860584 /nfs/dbraw/zinc/86/05/84/786860584.db2.gz KWDZHLICIIFUBJ-UPJWGTAASA-N 1 0 336.396 -1.067 20 0 EAADRO CC(C)OCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129664475 786860685 /nfs/dbraw/zinc/86/06/85/786860685.db2.gz KWDZHLICIIFUBJ-XQQFMLRXSA-N 1 0 336.396 -1.067 20 0 EAADRO COCCCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129664945 786860154 /nfs/dbraw/zinc/86/01/54/786860154.db2.gz XUYRICNLZDICTP-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO COCCCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129664946 786860059 /nfs/dbraw/zinc/86/00/59/786860059.db2.gz XUYRICNLZDICTP-XQQFMLRXSA-N 1 0 336.396 -1.065 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc2c(cn1)OCCO2 ZINC001129670814 786859157 /nfs/dbraw/zinc/85/91/57/786859157.db2.gz GAIZUCPHLZURNM-UHFFFAOYSA-N 1 0 337.336 -1.372 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129670934 786859748 /nfs/dbraw/zinc/85/97/48/786859748.db2.gz BCNVCIYMBUUSRE-UTUOFQBUSA-N 1 0 349.395 -1.966 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129671254 786860998 /nfs/dbraw/zinc/86/09/98/786860998.db2.gz KQCROUWGSNZISU-MXWKQRLJSA-N 1 0 335.368 -2.356 20 0 EAADRO O=C(c1cocn1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129671293 786859409 /nfs/dbraw/zinc/85/94/09/786859409.db2.gz MUXOZTJFFVCOMB-YPMHNXCESA-N 1 0 336.352 -1.070 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001129671379 786860780 /nfs/dbraw/zinc/86/07/80/786860780.db2.gz PKEREWAJEVPYQQ-LOWVWBTDSA-N 1 0 336.352 -1.071 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001129671380 786861055 /nfs/dbraw/zinc/86/10/55/786861055.db2.gz PKEREWAJEVPYQQ-WZRBSPASSA-N 1 0 336.352 -1.071 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129671538 786859645 /nfs/dbraw/zinc/85/96/45/786859645.db2.gz RYJIFCNZBADXKI-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129671560 786860368 /nfs/dbraw/zinc/86/03/68/786860368.db2.gz SZKHAXIPOZHXDM-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129671658 786860921 /nfs/dbraw/zinc/86/09/21/786860921.db2.gz WCQKRLSOTRBJLA-UTUOFQBUSA-N 1 0 349.395 -2.014 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001129671709 786860549 /nfs/dbraw/zinc/86/05/49/786860549.db2.gz XBERSHQOPLBJAY-SCZZXKLOSA-N 1 0 348.323 -1.884 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129675113 786864961 /nfs/dbraw/zinc/86/49/61/786864961.db2.gz HUWBGIBOMXUFHG-MNOVXSKESA-N 1 0 337.384 -1.979 20 0 EAADRO CCOCCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129675114 786864648 /nfs/dbraw/zinc/86/46/48/786864648.db2.gz HVCXIOKWZRHJKR-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO CCOCCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129675115 786864862 /nfs/dbraw/zinc/86/48/62/786864862.db2.gz HVCXIOKWZRHJKR-XQQFMLRXSA-N 1 0 336.396 -1.065 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129675212 786864689 /nfs/dbraw/zinc/86/46/89/786864689.db2.gz JDYMIWPVCKHNLQ-UPJWGTAASA-N 1 0 338.412 -1.083 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129675213 786863823 /nfs/dbraw/zinc/86/38/23/786863823.db2.gz JDYMIWPVCKHNLQ-XQQFMLRXSA-N 1 0 338.412 -1.083 20 0 EAADRO CCNC(=O)CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129675597 786865652 /nfs/dbraw/zinc/86/56/52/786865652.db2.gz TZOGAEOYRUVWDH-OLZOCXBDSA-N 1 0 338.412 -1.082 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129675675 786865354 /nfs/dbraw/zinc/86/53/54/786865354.db2.gz VTLSDHUDMRVNBH-UPJWGTAASA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129675677 786863652 /nfs/dbraw/zinc/86/36/52/786863652.db2.gz VTLSDHUDMRVNBH-XQQFMLRXSA-N 1 0 336.396 -1.208 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2c(cn1)OCCO2 ZINC001129676525 786864015 /nfs/dbraw/zinc/86/40/15/786864015.db2.gz SSXHKQTUCMAIJA-SECBINFHSA-N 1 0 334.332 -1.023 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc2c(cn1)OCCO2 ZINC001129676526 786865780 /nfs/dbraw/zinc/86/57/80/786865780.db2.gz SSXHKQTUCMAIJA-VIFPVBQESA-N 1 0 334.332 -1.023 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1n1ccnn1 ZINC001129677302 786864745 /nfs/dbraw/zinc/86/47/45/786864745.db2.gz DFMULNGGIZOCMM-NEPJUHHUSA-N 1 0 332.368 -1.289 20 0 EAADRO Cc1nc(C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001129677367 786864827 /nfs/dbraw/zinc/86/48/27/786864827.db2.gz FUFFOMGIRNUGKK-KGLIPLIRSA-N 1 0 349.395 -1.026 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1n1ccnn1 ZINC001129678202 786865222 /nfs/dbraw/zinc/86/52/22/786865222.db2.gz ZJOISVYESFKHFS-BNOWGMLFSA-N 1 0 349.395 -1.028 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1n1ccnn1 ZINC001129678203 786864545 /nfs/dbraw/zinc/86/45/45/786864545.db2.gz ZJOISVYESFKHFS-YUTCNCBUSA-N 1 0 349.395 -1.028 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc2c(cn1)OCCO2 ZINC001129678888 786862094 /nfs/dbraw/zinc/86/20/94/786862094.db2.gz FWYUAGDXRRSRFX-UHFFFAOYSA-N 1 0 344.393 -1.279 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cc2c(cn1)OCCO2)C(=O)NC(N)=O ZINC001129678891 786862999 /nfs/dbraw/zinc/86/29/99/786862999.db2.gz GUBIVHSDYBYPCY-MRVPVSSYSA-N 1 0 337.336 -1.244 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cc2c(cn1)OCCO2)C(=O)NC(N)=O ZINC001129678892 786863046 /nfs/dbraw/zinc/86/30/46/786863046.db2.gz GUBIVHSDYBYPCY-QMMMGPOBSA-N 1 0 337.336 -1.244 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cc2c(cn1)OCCO2 ZINC001129678915 786862296 /nfs/dbraw/zinc/86/22/96/786862296.db2.gz OMUOJXQSKLLUBZ-UHFFFAOYSA-N 1 0 349.347 -1.276 20 0 EAADRO COC[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129680786 786862540 /nfs/dbraw/zinc/86/25/40/786862540.db2.gz ACAXSWKUOVAEGT-UPJWGTAASA-N 1 0 338.412 -1.010 20 0 EAADRO COC[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129680789 786861829 /nfs/dbraw/zinc/86/18/29/786861829.db2.gz ACAXSWKUOVAEGT-XQQFMLRXSA-N 1 0 338.412 -1.010 20 0 EAADRO COC[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129681760 786862464 /nfs/dbraw/zinc/86/24/64/786862464.db2.gz YALMVSPZJVERLO-MCIONIFRSA-N 1 0 341.412 -1.089 20 0 EAADRO COC[C@H](C)C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129681761 786861310 /nfs/dbraw/zinc/86/13/10/786861310.db2.gz YALMVSPZJVERLO-MJBXVCDLSA-N 1 0 341.412 -1.089 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129683743 786861367 /nfs/dbraw/zinc/86/13/67/786861367.db2.gz AKFPTJXKYDEYMY-AXFHLTTASA-N 1 0 337.384 -1.980 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129683745 786862579 /nfs/dbraw/zinc/86/25/79/786862579.db2.gz AKFPTJXKYDEYMY-MXWKQRLJSA-N 1 0 337.384 -1.980 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129685289 786862009 /nfs/dbraw/zinc/86/20/09/786862009.db2.gz PRKNQUQQUARWFX-TUAOUCFPSA-N 1 0 349.395 -1.966 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129685290 786861619 /nfs/dbraw/zinc/86/16/19/786861619.db2.gz PRKNQUQQUARWFX-UTUOFQBUSA-N 1 0 349.395 -1.966 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129686132 786861874 /nfs/dbraw/zinc/86/18/74/786861874.db2.gz XRQRPNWLWLFPCW-MNOVXSKESA-N 1 0 337.384 -2.108 20 0 EAADRO CCc1nn(C)c(CC)c1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129687236 786863220 /nfs/dbraw/zinc/86/32/20/786863220.db2.gz HSNNDIVAJUFEKK-UHFFFAOYSA-N 1 0 338.412 -1.012 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1n1ccnn1 ZINC001129689794 786862777 /nfs/dbraw/zinc/86/27/77/786862777.db2.gz BAFHMRSKQHVXIF-OLZOCXBDSA-N 1 0 346.395 -1.279 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@@H]1n1ccnn1 ZINC001129690183 786863193 /nfs/dbraw/zinc/86/31/93/786863193.db2.gz FITCMWNDMPLBDC-OLZOCXBDSA-N 1 0 347.379 -1.095 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1 ZINC001129690262 786861890 /nfs/dbraw/zinc/86/18/90/786861890.db2.gz GLLZUCKGUWDSPZ-NEPJUHHUSA-N 1 0 340.384 -1.971 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1 ZINC001129690265 786862437 /nfs/dbraw/zinc/86/24/37/786862437.db2.gz GPHKGSFIPYEAOI-ZJUUUORDSA-N 1 0 345.367 -1.948 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1 ZINC001129690681 786862802 /nfs/dbraw/zinc/86/28/02/786862802.db2.gz MOSDEQJARTXFHQ-MNOVXSKESA-N 1 0 332.368 -1.048 20 0 EAADRO Nc1nccnc1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129690704 786862327 /nfs/dbraw/zinc/86/23/27/786862327.db2.gz MUSYEVSVDDLEFY-MNOVXSKESA-N 1 0 332.368 -1.312 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129690805 786861914 /nfs/dbraw/zinc/86/19/14/786861914.db2.gz NLKANAPQHXBVEX-MNOVXSKESA-N 1 0 336.396 -1.019 20 0 EAADRO COCCOCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129695648 786862141 /nfs/dbraw/zinc/86/21/41/786862141.db2.gz AKHKARBYXJWIBT-MNOVXSKESA-N 1 0 326.357 -2.232 20 0 EAADRO COCCOCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129695857 786862182 /nfs/dbraw/zinc/86/21/82/786862182.db2.gz GMZLPFQLKWKQOU-UPJWGTAASA-N 1 0 327.385 -1.337 20 0 EAADRO COCCOCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129695858 786862168 /nfs/dbraw/zinc/86/21/68/786862168.db2.gz GMZLPFQLKWKQOU-XQQFMLRXSA-N 1 0 327.385 -1.337 20 0 EAADRO COCCOCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129696124 786861938 /nfs/dbraw/zinc/86/19/38/786861938.db2.gz OFMSFSYURIVXKQ-TUAOUCFPSA-N 1 0 340.384 -1.844 20 0 EAADRO COCCOCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129696125 786863440 /nfs/dbraw/zinc/86/34/40/786863440.db2.gz OFMSFSYURIVXKQ-UTUOFQBUSA-N 1 0 340.384 -1.844 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1 ZINC001129696433 786862759 /nfs/dbraw/zinc/86/27/59/786862759.db2.gz VMTSACZLMZQSAG-OLZOCXBDSA-N 1 0 327.385 -1.071 20 0 EAADRO C[C@@H](OCC1CC1)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129696576 786862951 /nfs/dbraw/zinc/86/29/51/786862951.db2.gz ZKQVQOOTWIMWHE-RTXFEEFZSA-N 1 0 336.396 -1.080 20 0 EAADRO C[C@H](OCC1CC1)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129696578 786862648 /nfs/dbraw/zinc/86/26/48/786862648.db2.gz ZKQVQOOTWIMWHE-UHTWSYAYSA-N 1 0 336.396 -1.080 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC001129697575 786861978 /nfs/dbraw/zinc/86/19/78/786861978.db2.gz UTGOVIKKQNDKMR-UHFFFAOYSA-N 1 0 347.375 -1.115 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC001129697798 786862251 /nfs/dbraw/zinc/86/22/51/786862251.db2.gz XFDINZVOSWMSLS-UHFFFAOYSA-N 1 0 333.348 -1.376 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1)C1CC1 ZINC001129698933 786862113 /nfs/dbraw/zinc/86/21/13/786862113.db2.gz BMSUYDQIICJTRI-NEPJUHHUSA-N 1 0 349.395 -1.884 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129698968 786862274 /nfs/dbraw/zinc/86/22/74/786862274.db2.gz CSBHQTUNXXDLPL-AXFHLTTASA-N 1 0 337.384 -2.028 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129698969 786861657 /nfs/dbraw/zinc/86/16/57/786861657.db2.gz CSBHQTUNXXDLPL-MXWKQRLJSA-N 1 0 337.384 -2.028 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129699146 786862905 /nfs/dbraw/zinc/86/29/05/786862905.db2.gz LADIIQZAIUAKKF-NEPJUHHUSA-N 1 0 349.395 -1.979 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC)[C@@H](n3ccnn3)C2)cn1 ZINC001129699254 786864935 /nfs/dbraw/zinc/86/49/35/786864935.db2.gz PKHRQBIUZCPAIQ-OLZOCXBDSA-N 1 0 346.395 -1.104 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129699266 786864215 /nfs/dbraw/zinc/86/42/15/786864215.db2.gz PUKWRWGBUKYGNH-MNOVXSKESA-N 1 0 326.357 -2.496 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129699279 786865028 /nfs/dbraw/zinc/86/50/28/786865028.db2.gz QEDVRYQIMHVPPY-SFYZADRCSA-N 1 0 338.328 -3.310 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1)C(=O)NC1CC1 ZINC001129699281 786865003 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XTUZWSQKQWFYHQ-NEPJUHHUSA-N 1 0 347.379 -1.219 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129703376 786865060 /nfs/dbraw/zinc/86/50/60/786865060.db2.gz AJXCVKLYUGXNDZ-AXFHLTTASA-N 1 0 326.357 -2.498 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129703386 786865432 /nfs/dbraw/zinc/86/54/32/786865432.db2.gz AJXCVKLYUGXNDZ-MXWKQRLJSA-N 1 0 326.357 -2.498 20 0 EAADRO COCCOCC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129703609 786864909 /nfs/dbraw/zinc/86/49/09/786864909.db2.gz HKCRMNNOKOFVIU-NEPJUHHUSA-N 1 0 340.384 -1.842 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129703706 786865870 /nfs/dbraw/zinc/86/58/70/786865870.db2.gz JWGKHZMTPXXTTL-NEPJUHHUSA-N 1 0 349.395 -1.979 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129703913 786864135 /nfs/dbraw/zinc/86/41/35/786864135.db2.gz OFPIDSGPFJWBFX-ZJUUUORDSA-N 1 0 344.397 -2.460 20 0 EAADRO 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/nfs/dbraw/zinc/86/41/50/786864150.db2.gz WLOZAUGIYJMEEI-MNOVXSKESA-N 1 0 337.384 -2.027 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129704317 786864523 /nfs/dbraw/zinc/86/45/23/786864523.db2.gz XTOFIIOIPZMJLA-MNOVXSKESA-N 1 0 337.384 -1.980 20 0 EAADRO O=C(Cc1cc[nH]n1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129708087 786867035 /nfs/dbraw/zinc/86/70/35/786867035.db2.gz HHPRFCDBWURKPO-KGLIPLIRSA-N 1 0 349.395 -1.406 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129708262 786866291 /nfs/dbraw/zinc/86/62/91/786866291.db2.gz KYKVRCFYVZCDAL-OLZOCXBDSA-N 1 0 346.395 -1.279 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129708447 786867130 /nfs/dbraw/zinc/86/71/30/786867130.db2.gz NYPXDTKAWPIERV-RTXFEEFZSA-N 1 0 346.395 -1.280 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129708448 786866057 /nfs/dbraw/zinc/86/60/57/786866057.db2.gz NYPXDTKAWPIERV-UHTWSYAYSA-N 1 0 346.395 -1.280 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129708598 786867734 /nfs/dbraw/zinc/86/77/34/786867734.db2.gz RGXWKGCRYGEENJ-MCIONIFRSA-N 1 0 349.395 -1.407 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129708601 786867956 /nfs/dbraw/zinc/86/79/56/786867956.db2.gz RGXWKGCRYGEENJ-MJBXVCDLSA-N 1 0 349.395 -1.407 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129708956 786868073 /nfs/dbraw/zinc/86/80/73/786868073.db2.gz YHAWMSFINVEGOJ-OLZOCXBDSA-N 1 0 346.395 -1.326 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129708965 786867512 /nfs/dbraw/zinc/86/75/12/786867512.db2.gz YPYKAVBIWWSYCL-NEPJUHHUSA-N 1 0 332.368 -1.669 20 0 EAADRO COCCOCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129711982 786864379 /nfs/dbraw/zinc/86/43/79/786864379.db2.gz ASKHPFWUUZYHLV-OLZOCXBDSA-N 1 0 327.385 -1.335 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 ZINC001129712293 786864114 /nfs/dbraw/zinc/86/41/14/786864114.db2.gz GNNYSNJPRUTJGE-NEPJUHHUSA-N 1 0 333.352 -1.404 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 ZINC001129712548 786864570 /nfs/dbraw/zinc/86/45/70/786864570.db2.gz MIEQWBYXSHJYPW-OLZOCXBDSA-N 1 0 347.379 -1.062 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 ZINC001129712651 786865444 /nfs/dbraw/zinc/86/54/44/786865444.db2.gz MRUXDDVZMBCSPB-RTXFEEFZSA-N 1 0 347.379 -1.015 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 ZINC001129712652 786864392 /nfs/dbraw/zinc/86/43/92/786864392.db2.gz MRUXDDVZMBCSPB-UHTWSYAYSA-N 1 0 347.379 -1.015 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 ZINC001129712726 786863787 /nfs/dbraw/zinc/86/37/87/786863787.db2.gz PCKWEJNVBOTQJO-OLZOCXBDSA-N 1 0 347.379 -1.014 20 0 EAADRO CN1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129717391 786863678 /nfs/dbraw/zinc/86/36/78/786863678.db2.gz JWANVVASIOGWFS-HZSPNIEDSA-N 1 0 338.412 -1.667 20 0 EAADRO CN1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129717393 786864791 /nfs/dbraw/zinc/86/47/91/786864791.db2.gz JWANVVASIOGWFS-RDBSUJKOSA-N 1 0 338.412 -1.667 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717438 786864409 /nfs/dbraw/zinc/86/44/09/786864409.db2.gz KYYNZUPPROPTGB-HZSPNIEDSA-N 1 0 338.412 -1.403 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717444 786864293 /nfs/dbraw/zinc/86/42/93/786864293.db2.gz KYYNZUPPROPTGB-RDBSUJKOSA-N 1 0 338.412 -1.403 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)nnn1C ZINC001129717628 786863736 /nfs/dbraw/zinc/86/37/36/786863736.db2.gz NNRJQAGSXSSJMW-NEPJUHHUSA-N 1 0 334.384 -1.247 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129717695 786864095 /nfs/dbraw/zinc/86/40/95/786864095.db2.gz PKMGJDWSSKWGNP-MNOVXSKESA-N 1 0 333.352 -1.024 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)/C=C\C2CC2)C[C@@H]1n1ccnn1 ZINC001129718120 786865280 /nfs/dbraw/zinc/86/52/80/786865280.db2.gz XVZXDHPWACJFOW-BKGLOODYSA-N 1 0 347.379 -1.219 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)/C=C/C2CC2)C[C@@H]1n1ccnn1 ZINC001129718121 786864672 /nfs/dbraw/zinc/86/46/72/786864672.db2.gz XVZXDHPWACJFOW-LXYZTQFVSA-N 1 0 347.379 -1.219 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001129723154 786863858 /nfs/dbraw/zinc/86/38/58/786863858.db2.gz AVUTYDJXLRSWRY-NEPJUHHUSA-N 1 0 345.363 -1.220 20 0 EAADRO C/C=C(\C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129723217 786863977 /nfs/dbraw/zinc/86/39/77/786863977.db2.gz BXTOWMHDVKWSMI-PUMWVJNTSA-N 1 0 335.368 -1.219 20 0 EAADRO C/C=C(/C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129723219 786865726 /nfs/dbraw/zinc/86/57/26/786865726.db2.gz BXTOWMHDVKWSMI-ZHFHSAFGSA-N 1 0 335.368 -1.219 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129724264 786865629 /nfs/dbraw/zinc/86/56/29/786865629.db2.gz UBEQXPDYXKWJQV-JLLWLGSASA-N 1 0 349.395 -1.139 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129724266 786864452 /nfs/dbraw/zinc/86/44/52/786864452.db2.gz UBEQXPDYXKWJQV-WCQGTBRESA-N 1 0 349.395 -1.139 20 0 EAADRO O=C(CCc1nnc[nH]1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129724633 786863911 /nfs/dbraw/zinc/86/39/11/786863911.db2.gz YTURHJYZULPLOB-NEPJUHHUSA-N 1 0 334.384 -1.247 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1n1ccnn1 ZINC001129724642 786865369 /nfs/dbraw/zinc/86/53/69/786865369.db2.gz ZDNPEXCBFCYJFB-MNOVXSKESA-N 1 0 347.383 -1.884 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001129726870 786865843 /nfs/dbraw/zinc/86/58/43/786865843.db2.gz ANDUMKCDKXULLV-OLZOCXBDSA-N 1 0 346.395 -1.360 20 0 EAADRO CC1CC(C(=O)N2C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001129727359 786865247 /nfs/dbraw/zinc/86/52/47/786865247.db2.gz GWPFBUPOQDXKDY-HCWSGVFWSA-N 1 0 349.395 -1.139 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C=C2CCC2)C[C@@H]1n1ccnn1 ZINC001129728931 786863880 /nfs/dbraw/zinc/86/38/80/786863880.db2.gz XZDZBMZUCFHZJW-NEPJUHHUSA-N 1 0 347.379 -1.075 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 ZINC001129736909 786865323 /nfs/dbraw/zinc/86/53/23/786865323.db2.gz BDKUDBQBGFNYMU-YPMHNXCESA-N 1 0 346.395 -1.197 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129736910 786865501 /nfs/dbraw/zinc/86/55/01/786865501.db2.gz BENFAJJJLUQCTR-UPJWGTAASA-N 1 0 337.380 -1.045 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129736911 786865419 /nfs/dbraw/zinc/86/54/19/786865419.db2.gz BENFAJJJLUQCTR-XQQFMLRXSA-N 1 0 337.380 -1.045 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001129736969 786865263 /nfs/dbraw/zinc/86/52/63/786865263.db2.gz CRKUXOBVQZRPDM-NEPJUHHUSA-N 1 0 345.363 -1.220 20 0 EAADRO O=C([C@@H]1CCNC(=O)C1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129737022 786863899 /nfs/dbraw/zinc/86/38/99/786863899.db2.gz GBZSPYYAIZRMIA-UPJWGTAASA-N 1 0 336.396 -1.472 20 0 EAADRO O=C([C@H]1CCNC(=O)C1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129737023 786865494 /nfs/dbraw/zinc/86/54/94/786865494.db2.gz GBZSPYYAIZRMIA-XQQFMLRXSA-N 1 0 336.396 -1.472 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 ZINC001129737209 786864498 /nfs/dbraw/zinc/86/44/98/786864498.db2.gz JUOGOQANWDKFOA-PWSUYJOCSA-N 1 0 332.368 -1.587 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 ZINC001129737210 786864058 /nfs/dbraw/zinc/86/40/58/786864058.db2.gz JURQWBXLSTVNCS-YPMHNXCESA-N 1 0 346.395 -1.245 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129737446 786865304 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ZINC001129762942 786868243 /nfs/dbraw/zinc/86/82/43/786868243.db2.gz UXSAVUWNBRJLAQ-NEPJUHHUSA-N 1 0 330.352 -1.531 20 0 EAADRO O=C(c1cncnc1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129763122 786870101 /nfs/dbraw/zinc/87/01/01/786870101.db2.gz WOLGFTQZZRPWMO-KGLIPLIRSA-N 1 0 347.379 -1.268 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnc2n1CCC2)N1CCNC(=O)C1 ZINC001129763329 786869615 /nfs/dbraw/zinc/86/96/15/786869615.db2.gz ZNHOHLWUVQFKCX-UHFFFAOYSA-N 1 0 334.380 -1.893 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129770180 786872939 /nfs/dbraw/zinc/87/29/39/786872939.db2.gz CLLJXBLBJVJDCI-UPJWGTAASA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129770182 786873670 /nfs/dbraw/zinc/87/36/70/786873670.db2.gz CLLJXBLBJVJDCI-XQQFMLRXSA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129770264 786872725 /nfs/dbraw/zinc/87/27/25/786872725.db2.gz DRTPCJLJPDZYIU-AXFHLTTASA-N 1 0 335.368 -2.356 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129770266 786873379 /nfs/dbraw/zinc/87/33/79/786873379.db2.gz DRTPCJLJPDZYIU-MXWKQRLJSA-N 1 0 335.368 -2.356 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129770330 786873947 /nfs/dbraw/zinc/87/39/47/786873947.db2.gz FMMNUVVAOIFOEL-MNOVXSKESA-N 1 0 337.384 -2.108 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1n1ccnn1 ZINC001129770333 786873638 /nfs/dbraw/zinc/87/36/38/786873638.db2.gz FNHLDJFLXXYUSG-PWSUYJOCSA-N 1 0 333.352 -1.024 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001129770367 786873157 /nfs/dbraw/zinc/87/31/57/786873157.db2.gz GEYHSNDJIFQAHH-TUAOUCFPSA-N 1 0 340.384 -2.237 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001129770368 786873037 /nfs/dbraw/zinc/87/30/37/786873037.db2.gz GEYHSNDJIFQAHH-UTUOFQBUSA-N 1 0 340.384 -2.237 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129770618 786873168 /nfs/dbraw/zinc/87/31/68/786873168.db2.gz IONHWAFOHFYXHW-MNOVXSKESA-N 1 0 337.384 -2.156 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1 ZINC001129770721 786872536 /nfs/dbraw/zinc/87/25/36/786872536.db2.gz LHZQEVAUXNDXNI-OLZOCXBDSA-N 1 0 344.379 -1.141 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129770943 786874229 /nfs/dbraw/zinc/87/42/29/786874229.db2.gz NWBOYKHASZCDQW-TUAOUCFPSA-N 1 0 349.395 -1.966 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129770945 786874192 /nfs/dbraw/zinc/87/41/92/786874192.db2.gz NWBOYKHASZCDQW-UTUOFQBUSA-N 1 0 349.395 -1.966 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129770967 786874012 /nfs/dbraw/zinc/87/40/12/786874012.db2.gz PIWPNOBYYMSDSV-OLZOCXBDSA-N 1 0 346.395 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129770980 786873819 /nfs/dbraw/zinc/87/38/19/786873819.db2.gz PYAQUUSXDVSINC-OLZOCXBDSA-N 1 0 346.395 -1.311 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129770998 786873258 /nfs/dbraw/zinc/87/32/58/786873258.db2.gz RCTOCGPRCJOFTG-OLZOCXBDSA-N 1 0 346.395 -1.311 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)c1N ZINC001129771021 786873079 /nfs/dbraw/zinc/87/30/79/786873079.db2.gz SOKWDJAOTUYCNW-NEPJUHHUSA-N 1 0 334.384 -1.369 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129771154 786872519 /nfs/dbraw/zinc/87/25/19/786872519.db2.gz VBPLREQFRWJFLX-NEPJUHHUSA-N 1 0 349.395 -1.966 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129771162 786872500 /nfs/dbraw/zinc/87/25/00/786872500.db2.gz VGFPSBSKCJZRKS-OLZOCXBDSA-N 1 0 346.395 -1.311 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129771196 786873443 /nfs/dbraw/zinc/87/34/43/786873443.db2.gz WAHQHMZTCMBOBU-CRWXNKLISA-N 1 0 339.396 -1.194 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129771197 786873689 /nfs/dbraw/zinc/87/36/89/786873689.db2.gz WAHQHMZTCMBOBU-MQYQWHSLSA-N 1 0 339.396 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129771232 786873091 /nfs/dbraw/zinc/87/30/91/786873091.db2.gz XQPIVTLCIMSDHJ-NEPJUHHUSA-N 1 0 349.395 -2.012 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1n1ccnn1 ZINC001129771293 786874216 /nfs/dbraw/zinc/87/42/16/786874216.db2.gz ZMFKYJQAONMTAJ-NEPJUHHUSA-N 1 0 334.384 -1.105 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129773817 786873698 /nfs/dbraw/zinc/87/36/98/786873698.db2.gz BJXDKMQDZPVGLH-MNOVXSKESA-N 1 0 337.384 -2.108 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129773842 786873323 /nfs/dbraw/zinc/87/33/23/786873323.db2.gz CCPQFWJCNGYPLB-NEPJUHHUSA-N 1 0 347.383 -1.953 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129773844 786873400 /nfs/dbraw/zinc/87/34/00/786873400.db2.gz CDGCPGLHYDXOIW-TUAOUCFPSA-N 1 0 349.395 -2.014 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129773846 786872448 /nfs/dbraw/zinc/87/24/48/786872448.db2.gz CDGCPGLHYDXOIW-UTUOFQBUSA-N 1 0 349.395 -2.014 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1)C(N)=O ZINC001129773948 786873422 /nfs/dbraw/zinc/87/34/22/786873422.db2.gz FBVPCFUKRNFISZ-AXFHLTTASA-N 1 0 337.384 -1.980 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1)C(N)=O ZINC001129773949 786873134 /nfs/dbraw/zinc/87/31/34/786873134.db2.gz FBVPCFUKRNFISZ-MXWKQRLJSA-N 1 0 337.384 -1.980 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129774265 786873394 /nfs/dbraw/zinc/87/33/94/786873394.db2.gz HUUADKGPBZMXCY-UPJWGTAASA-N 1 0 338.412 -1.083 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129774268 786872947 /nfs/dbraw/zinc/87/29/47/786872947.db2.gz HUUADKGPBZMXCY-XQQFMLRXSA-N 1 0 338.412 -1.083 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129774306 786873046 /nfs/dbraw/zinc/87/30/46/786873046.db2.gz IFNAIZVMMZMVGV-AXFHLTTASA-N 1 0 337.384 -2.110 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129774307 786873582 /nfs/dbraw/zinc/87/35/82/786873582.db2.gz IFNAIZVMMZMVGV-MXWKQRLJSA-N 1 0 337.384 -2.110 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129774541 786872844 /nfs/dbraw/zinc/87/28/44/786872844.db2.gz LDGWWHGBWXOLNO-NEPJUHHUSA-N 1 0 340.384 -2.235 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2cnc3n2CCC3)n(C)c1=O ZINC001129775451 786874252 /nfs/dbraw/zinc/87/42/52/786874252.db2.gz OHNQNVBGDCWMCX-UHFFFAOYSA-N 1 0 346.391 -1.254 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cnc2n1CCC2 ZINC001129775725 786873279 /nfs/dbraw/zinc/87/32/79/786873279.db2.gz RSNLPLFJASROIO-LLVKDONJSA-N 1 0 349.391 -1.341 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cnc2n1CCC2 ZINC001129775729 786872816 /nfs/dbraw/zinc/87/28/16/786872816.db2.gz RSNLPLFJASROIO-NSHDSACASA-N 1 0 349.391 -1.341 20 0 EAADRO CCn1nccc1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129782080 786872919 /nfs/dbraw/zinc/87/29/19/786872919.db2.gz DGFFLPBIDAIPHW-YPMHNXCESA-N 1 0 346.395 -1.104 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129782339 786873456 /nfs/dbraw/zinc/87/34/56/786873456.db2.gz HFBIBPIEPONYAQ-AXFHLTTASA-N 1 0 325.373 -1.941 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129782374 786872963 /nfs/dbraw/zinc/87/29/63/786872963.db2.gz IOXIWIDUPWUBDY-AXFHLTTASA-N 1 0 325.373 -1.677 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129782378 786872798 /nfs/dbraw/zinc/87/27/98/786872798.db2.gz JDBZARUZFJNOSC-TUAOUCFPSA-N 1 0 339.400 -1.287 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129782782 786872984 /nfs/dbraw/zinc/87/29/84/786872984.db2.gz OPVYZHTYJIQUIQ-AEJSXWLSSA-N 1 0 338.372 -2.578 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129782817 786874147 /nfs/dbraw/zinc/87/41/47/786874147.db2.gz PPFUVZYRSRGPSP-TUAOUCFPSA-N 1 0 339.400 -1.287 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1n1ccnn1 ZINC001129783046 786872425 /nfs/dbraw/zinc/87/24/25/786872425.db2.gz SCWDADQKKSIRBO-OLZOCXBDSA-N 1 0 344.379 -1.222 20 0 EAADRO COCc1cncc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001129783950 786873285 /nfs/dbraw/zinc/87/32/85/786873285.db2.gz ROUUMTRMJBUYQA-UHFFFAOYSA-N 1 0 349.391 -1.494 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1n1ccnn1 ZINC001129787650 786872582 /nfs/dbraw/zinc/87/25/82/786872582.db2.gz CYKAOYVWPQKEGB-KGLIPLIRSA-N 1 0 336.396 -1.256 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1 ZINC001129787727 786873624 /nfs/dbraw/zinc/87/36/24/786873624.db2.gz FBRDMYUBTSBSOL-NEPJUHHUSA-N 1 0 347.383 -1.953 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@@H]1n1ccnn1 ZINC001129788160 786875374 /nfs/dbraw/zinc/87/53/74/786875374.db2.gz HTFBPNDPYJRQHL-DYEKYZERSA-N 1 0 336.396 -1.209 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@@H]1n1ccnn1 ZINC001129788161 786876081 /nfs/dbraw/zinc/87/60/81/786876081.db2.gz HTFBPNDPYJRQHL-MBNYWOFBSA-N 1 0 336.396 -1.209 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1 ZINC001129788477 786875160 /nfs/dbraw/zinc/87/51/60/786875160.db2.gz JVMVZINQOCUWIS-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129788522 786875954 /nfs/dbraw/zinc/87/59/54/786875954.db2.gz LCBZHIYNKBHGJX-KGLIPLIRSA-N 1 0 336.396 -1.520 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1 ZINC001129788871 786875792 /nfs/dbraw/zinc/87/57/92/786875792.db2.gz QNHAZRHVCSKGEH-ZJUUUORDSA-N 1 0 349.351 -2.029 20 0 EAADRO CCn1ccnc1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129789062 786870967 /nfs/dbraw/zinc/87/09/67/786870967.db2.gz SMZBDEOQBCQCOL-NEPJUHHUSA-N 1 0 346.395 -1.104 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1 ZINC001129789257 786871058 /nfs/dbraw/zinc/87/10/58/786871058.db2.gz VHXOIZZVSUHMPO-OLZOCXBDSA-N 1 0 344.379 -1.602 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1n1ccnn1 ZINC001129789284 786871587 /nfs/dbraw/zinc/87/15/87/786871587.db2.gz VYHPYTRMHPANRY-OLZOCXBDSA-N 1 0 349.395 -2.156 20 0 EAADRO O=C(CCn1ccnn1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129789506 786871196 /nfs/dbraw/zinc/87/11/96/786871196.db2.gz ZCYNGFBQEKJDIY-OLZOCXBDSA-N 1 0 334.384 -1.316 20 0 EAADRO Cc1ccncc1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129791088 786872128 /nfs/dbraw/zinc/87/21/28/786872128.db2.gz RFLUDQKHFQYMCZ-UHFFFAOYSA-N 1 0 333.392 -1.403 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@@H]1n1ccnn1 ZINC001129791607 786870943 /nfs/dbraw/zinc/87/09/43/786870943.db2.gz LPTDVNOLHFPNPY-NEPJUHHUSA-N 1 0 344.379 -1.222 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 ZINC001129791621 786870421 /nfs/dbraw/zinc/87/04/21/786870421.db2.gz MEYCIWZZEOUBHL-KOLCDFICSA-N 1 0 333.356 -2.192 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129791625 786871604 /nfs/dbraw/zinc/87/16/04/786871604.db2.gz MJCWYMWBZJKWME-TUAOUCFPSA-N 1 0 338.412 -1.085 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129791626 786870758 /nfs/dbraw/zinc/87/07/58/786870758.db2.gz MJCWYMWBZJKWME-UTUOFQBUSA-N 1 0 338.412 -1.085 20 0 EAADRO Cn1nccc1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129791694 786871074 /nfs/dbraw/zinc/87/10/74/786871074.db2.gz NYYXXJFDRKREAR-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129791768 786871733 /nfs/dbraw/zinc/87/17/33/786871733.db2.gz PLGQKJJXKYJJMU-OLZOCXBDSA-N 1 0 346.395 -1.658 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 ZINC001129791772 786871768 /nfs/dbraw/zinc/87/17/68/786871768.db2.gz PNNMZVHMOYYEPQ-PWSUYJOCSA-N 1 0 347.383 -1.802 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129791818 786871454 /nfs/dbraw/zinc/87/14/54/786871454.db2.gz QQPAIGPRQHQZIM-UPJWGTAASA-N 1 0 341.412 -1.212 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129791820 786871209 /nfs/dbraw/zinc/87/12/09/786871209.db2.gz QQPAIGPRQHQZIM-XQQFMLRXSA-N 1 0 341.412 -1.212 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129791836 786871482 /nfs/dbraw/zinc/87/14/82/786871482.db2.gz QZUOMKDPNDTBMH-NEPJUHHUSA-N 1 0 338.412 -1.131 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129791991 786871359 /nfs/dbraw/zinc/87/13/59/786871359.db2.gz UGGVEABVUJJLJV-NEPJUHHUSA-N 1 0 338.412 -1.083 20 0 EAADRO CC(C)(O)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129792136 786871284 /nfs/dbraw/zinc/87/12/84/786871284.db2.gz YXXBAQTZMJEKGT-OLZOCXBDSA-N 1 0 341.412 -1.211 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 ZINC001129792165 786872212 /nfs/dbraw/zinc/87/22/12/786872212.db2.gz ZNGMFKNHKCIIDE-PWSUYJOCSA-N 1 0 347.383 -1.850 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129795419 786871300 /nfs/dbraw/zinc/87/13/00/786871300.db2.gz ILLYRLOUVUPUCJ-UTUOFQBUSA-N 1 0 338.368 -1.236 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129795420 786871275 /nfs/dbraw/zinc/87/12/75/786871275.db2.gz ILLYRLOUVUPUCJ-WOPDTQHZSA-N 1 0 338.368 -1.236 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 ZINC001129795775 786871620 /nfs/dbraw/zinc/87/16/20/786871620.db2.gz PQYADSZSCYMRIN-FOGDFJRCSA-N 1 0 347.383 -1.804 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 ZINC001129795776 786871942 /nfs/dbraw/zinc/87/19/42/786871942.db2.gz PQYADSZSCYMRIN-UMNHJUIQSA-N 1 0 347.383 -1.804 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129795881 786872046 /nfs/dbraw/zinc/87/20/46/786872046.db2.gz SODLVIBIOUHOAH-BBBLOLIVSA-N 1 0 337.340 -2.526 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129795882 786871175 /nfs/dbraw/zinc/87/11/75/786871175.db2.gz SODLVIBIOUHOAH-UTLUCORTSA-N 1 0 337.340 -2.526 20 0 EAADRO CNC(=O)CCCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129797742 786870890 /nfs/dbraw/zinc/87/08/90/786870890.db2.gz HEOVVBKWHAHBNF-MNOVXSKESA-N 1 0 337.384 -1.979 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129797951 786872173 /nfs/dbraw/zinc/87/21/73/786872173.db2.gz JUPWRTFVUZSSOU-AXFHLTTASA-N 1 0 337.384 -1.980 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129797952 786872003 /nfs/dbraw/zinc/87/20/03/786872003.db2.gz JUPWRTFVUZSSOU-MXWKQRLJSA-N 1 0 337.384 -1.980 20 0 EAADRO Cn1oc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)cc1=O ZINC001129797973 786870409 /nfs/dbraw/zinc/87/04/09/786870409.db2.gz KENIWDGDLIREMN-MNOVXSKESA-N 1 0 336.352 -1.393 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129798038 786871088 /nfs/dbraw/zinc/87/10/88/786871088.db2.gz LODXHQBJZZCUHI-TUAOUCFPSA-N 1 0 349.395 -1.966 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129798039 786873883 /nfs/dbraw/zinc/87/38/83/786873883.db2.gz LODXHQBJZZCUHI-UTUOFQBUSA-N 1 0 349.395 -1.966 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1 ZINC001129798187 786873512 /nfs/dbraw/zinc/87/35/12/786873512.db2.gz QIXKFIKFLDJHCL-MNOVXSKESA-N 1 0 336.352 -1.129 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001129802223 786876914 /nfs/dbraw/zinc/87/69/14/786876914.db2.gz BTAWPMOEQISIER-WPRPVWTQSA-N 1 0 329.382 -1.014 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802294 786876778 /nfs/dbraw/zinc/87/67/78/786876778.db2.gz CSOGMAXNGSFDME-DCAQKATOSA-N 1 0 330.385 -1.270 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802295 786877153 /nfs/dbraw/zinc/87/71/53/786877153.db2.gz CSOGMAXNGSFDME-VWYCJHECSA-N 1 0 330.385 -1.270 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001129802651 786876504 /nfs/dbraw/zinc/87/65/04/786876504.db2.gz LFYKAVDHAWNKQC-OBJOEFQTSA-N 1 0 329.397 -1.209 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001129802652 786877739 /nfs/dbraw/zinc/87/77/39/786877739.db2.gz LFYKAVDHAWNKQC-SCRDCRAPSA-N 1 0 329.397 -1.209 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001129802658 786877014 /nfs/dbraw/zinc/87/70/14/786877014.db2.gz LNWINLVPZNBDSC-FZMZJTMJSA-N 1 0 329.397 -1.209 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129802788 786876864 /nfs/dbraw/zinc/87/68/64/786876864.db2.gz OLPMMPRPOQALOV-GWCFXTLKSA-N 1 0 328.369 -2.546 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802897 786876270 /nfs/dbraw/zinc/87/62/70/786876270.db2.gz ROKKCPVGNDVHKO-JQWIXIFHSA-N 1 0 330.385 -1.268 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001129803059 786875502 /nfs/dbraw/zinc/87/55/02/786875502.db2.gz WNWYEFNGWCQRGT-RYUDHWBXSA-N 1 0 335.426 -1.468 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129803162 786875533 /nfs/dbraw/zinc/87/55/33/786875533.db2.gz YUVMPVDSVQGLOO-RYUDHWBXSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001129803168 786874837 /nfs/dbraw/zinc/87/48/37/786874837.db2.gz ZEKMQMFGHZYYJI-CABZTGNLSA-N 1 0 328.369 -1.516 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129803298 786876142 /nfs/dbraw/zinc/87/61/42/786876142.db2.gz FDMZFUQUSMVLSM-RFQIPJPRSA-N 1 0 341.412 -1.356 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129803299 786875625 /nfs/dbraw/zinc/87/56/25/786875625.db2.gz FDMZFUQUSMVLSM-YIYPIFLZSA-N 1 0 341.412 -1.356 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129803367 786875043 /nfs/dbraw/zinc/87/50/43/786875043.db2.gz HUZCKJAQPROQRP-NEPJUHHUSA-N 1 0 346.395 -1.279 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129803406 786875076 /nfs/dbraw/zinc/87/50/76/786875076.db2.gz JUADAJPYQPZFCJ-HZSPNIEDSA-N 1 0 341.412 -1.355 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129803469 786874567 /nfs/dbraw/zinc/87/45/67/786874567.db2.gz MWOLAYSCCGIPJN-MBNYWOFBSA-N 1 0 338.412 -1.227 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129803479 786876107 /nfs/dbraw/zinc/87/61/07/786876107.db2.gz NEMCRCCCJNFOBP-MBNYWOFBSA-N 1 0 338.412 -1.275 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001129803481 786874756 /nfs/dbraw/zinc/87/47/56/786874756.db2.gz NHYHUWXUUWNOPI-PWSUYJOCSA-N 1 0 347.383 -1.850 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129803501 786875354 /nfs/dbraw/zinc/87/53/54/786875354.db2.gz OABYQPPPKGGWLW-MNOVXSKESA-N 1 0 348.367 -1.700 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001129803525 786874645 /nfs/dbraw/zinc/87/46/45/786874645.db2.gz OYZOIRWFRZSMIL-PWSUYJOCSA-N 1 0 347.383 -1.802 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001129803528 786874626 /nfs/dbraw/zinc/87/46/26/786874626.db2.gz PIRLGRJXHMTPLA-KOLCDFICSA-N 1 0 333.356 -2.192 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129803534 786875844 /nfs/dbraw/zinc/87/58/44/786875844.db2.gz PNEWUOINCBICGH-UTUOFQBUSA-N 1 0 338.368 -1.236 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129803535 786876200 /nfs/dbraw/zinc/87/62/00/786876200.db2.gz PNEWUOINCBICGH-WOPDTQHZSA-N 1 0 338.368 -1.236 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001129803566 786875019 /nfs/dbraw/zinc/87/50/19/786875019.db2.gz RDJMQYGIGLCWDW-FOGDFJRCSA-N 1 0 347.383 -1.804 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001129803567 786875989 /nfs/dbraw/zinc/87/59/89/786875989.db2.gz RDJMQYGIGLCWDW-UMNHJUIQSA-N 1 0 347.383 -1.804 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001129806063 786874412 /nfs/dbraw/zinc/87/44/12/786874412.db2.gz BZVBMDFYZHWEAP-AVGNSLFASA-N 1 0 349.453 -1.222 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001129806068 786875523 /nfs/dbraw/zinc/87/55/23/786875523.db2.gz BZVBMDFYZHWEAP-XQQFMLRXSA-N 1 0 349.453 -1.222 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001129806157 786875944 /nfs/dbraw/zinc/87/59/44/786875944.db2.gz DYCTXKJCGNPKDT-MJVIPROJSA-N 1 0 343.380 -1.994 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001129806159 786874515 /nfs/dbraw/zinc/87/45/15/786874515.db2.gz DYCTXKJCGNPKDT-WDMOLILDSA-N 1 0 343.380 -1.994 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129806192 786875931 /nfs/dbraw/zinc/87/59/31/786875931.db2.gz GBSDCLFNHPGDJU-JQWIXIFHSA-N 1 0 328.369 -1.562 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129806197 786874922 /nfs/dbraw/zinc/87/49/22/786874922.db2.gz GLDYJVQNJDNRQD-OBJOEFQTSA-N 1 0 329.397 -1.521 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001129806755 786876071 /nfs/dbraw/zinc/87/60/71/786876071.db2.gz PHMOLLGSZADDRT-RYUDHWBXSA-N 1 0 337.442 -1.222 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2OCCO[C@H]2C)CCO1 ZINC001129806770 786875582 /nfs/dbraw/zinc/87/55/82/786875582.db2.gz QAGAWEUKCFUMFN-DYEKYZERSA-N 1 0 329.397 -1.257 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2OCCO[C@H]2C)CCO1 ZINC001129806771 786875751 /nfs/dbraw/zinc/87/57/51/786875751.db2.gz QAGAWEUKCFUMFN-OBJOEFQTSA-N 1 0 329.397 -1.257 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129807065 786875860 /nfs/dbraw/zinc/87/58/60/786875860.db2.gz YBFKLOJRBIBFSG-AAEUAGOBSA-N 1 0 344.412 -1.022 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129807118 786875964 /nfs/dbraw/zinc/87/59/64/786875964.db2.gz AITWZIVUWLVYSU-NEPJUHHUSA-N 1 0 339.400 -1.679 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129807254 786874865 /nfs/dbraw/zinc/87/48/65/786874865.db2.gz FTLHGDQUJOBIHY-NEPJUHHUSA-N 1 0 339.400 -1.415 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 ZINC001129807314 786875336 /nfs/dbraw/zinc/87/53/36/786875336.db2.gz IAUPMKZWFSCHKR-AXFHLTTASA-N 1 0 347.383 -1.804 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 ZINC001129807315 786875907 /nfs/dbraw/zinc/87/59/07/786875907.db2.gz IAUPMKZWFSCHKR-MXWKQRLJSA-N 1 0 347.383 -1.804 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129807509 786874470 /nfs/dbraw/zinc/87/44/70/786874470.db2.gz KULYYEVJXWWFOM-PWSUYJOCSA-N 1 0 347.383 -1.709 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC)[C@@H](n3ccnn3)C2)n1 ZINC001129807512 786875199 /nfs/dbraw/zinc/87/51/99/786875199.db2.gz KZENOFDLOFDPEJ-NEPJUHHUSA-N 1 0 347.383 -1.709 20 0 EAADRO CCn1nncc1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129807575 786874427 /nfs/dbraw/zinc/87/44/27/786874427.db2.gz NBXYOJVNUVAAEE-YPMHNXCESA-N 1 0 334.384 -1.073 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129807597 786875002 /nfs/dbraw/zinc/87/50/02/786875002.db2.gz NYQQZVGKNWLOJW-MNOVXSKESA-N 1 0 325.373 -2.069 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129807632 786874589 /nfs/dbraw/zinc/87/45/89/786874589.db2.gz PHVSAOCHVSORNM-ZJUUUORDSA-N 1 0 338.372 -2.576 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 ZINC001129807885 786874901 /nfs/dbraw/zinc/87/49/01/786874901.db2.gz WNQSTEVQDSFSPY-ZJUUUORDSA-N 1 0 333.356 -2.192 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129808004 786875405 /nfs/dbraw/zinc/87/54/05/786875405.db2.gz XFAGNVHDJLXXJK-MNOVXSKESA-N 1 0 327.364 -1.092 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 ZINC001129808005 786876150 /nfs/dbraw/zinc/87/61/50/786876150.db2.gz XGBGELQIEXUFIZ-MNOVXSKESA-N 1 0 347.383 -1.850 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129808036 786875187 /nfs/dbraw/zinc/87/51/87/786875187.db2.gz YIOPVNGVUMQJFL-TUAOUCFPSA-N 1 0 339.400 -1.681 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129808038 786874687 /nfs/dbraw/zinc/87/46/87/786874687.db2.gz YIOPVNGVUMQJFL-UTUOFQBUSA-N 1 0 339.400 -1.681 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001129809347 786876250 /nfs/dbraw/zinc/87/62/50/786876250.db2.gz FHZOITOGGKZKFB-OBJOEFQTSA-N 1 0 329.397 -1.351 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001129809348 786875237 /nfs/dbraw/zinc/87/52/37/786875237.db2.gz FHZOITOGGKZKFB-SCRDCRAPSA-N 1 0 329.397 -1.351 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001129809412 786875815 /nfs/dbraw/zinc/87/58/15/786875815.db2.gz GWFLXAMQVPQROQ-NHCYSSNCSA-N 1 0 342.396 -1.127 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001129809413 786874801 /nfs/dbraw/zinc/87/48/01/786874801.db2.gz GWFLXAMQVPQROQ-SCVCMEIPSA-N 1 0 342.396 -1.127 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)cc1=O ZINC001129809694 786875311 /nfs/dbraw/zinc/87/53/11/786875311.db2.gz KFPJUNRLDFNJBZ-UHFFFAOYSA-N 1 0 335.286 -1.222 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001129809731 786875636 /nfs/dbraw/zinc/87/56/36/786875636.db2.gz LJIUHIYTXYKDIJ-QWRGUYRKSA-N 1 0 342.396 -1.174 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)cc1=O ZINC001129809967 786876175 /nfs/dbraw/zinc/87/61/75/786876175.db2.gz MSPSYLXQDVLVFM-UHFFFAOYSA-N 1 0 337.380 -1.605 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)cc1=O ZINC001129809983 786875288 /nfs/dbraw/zinc/87/52/88/786875288.db2.gz NOEWMONLFSSECP-UHFFFAOYSA-N 1 0 344.375 -1.189 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)N(C)C ZINC001129810281 786875272 /nfs/dbraw/zinc/87/52/72/786875272.db2.gz TYJIAGQEHRRULV-GVXVVHGQSA-N 1 0 344.412 -1.911 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)N(C)C ZINC001129810282 786876121 /nfs/dbraw/zinc/87/61/21/786876121.db2.gz TYJIAGQEHRRULV-MDZLAQPJSA-N 1 0 344.412 -1.911 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001129810447 786875220 /nfs/dbraw/zinc/87/52/20/786875220.db2.gz XHFVSRDXJSEAJC-GWCFXTLKSA-N 1 0 340.380 -1.906 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129810495 786875680 /nfs/dbraw/zinc/87/56/80/786875680.db2.gz YTWLIWLULHEGNN-SECBINFHSA-N 1 0 338.368 -1.666 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129810496 786874490 /nfs/dbraw/zinc/87/44/90/786874490.db2.gz YTWLIWLULHEGNN-VIFPVBQESA-N 1 0 338.368 -1.666 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 ZINC001129811501 786875102 /nfs/dbraw/zinc/87/51/02/786875102.db2.gz JEMOMHRROKWPKP-MNOVXSKESA-N 1 0 347.383 -1.802 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)n1 ZINC001129811664 786875472 /nfs/dbraw/zinc/87/54/72/786875472.db2.gz MCVRASZPHIMRBZ-OLZOCXBDSA-N 1 0 334.384 -1.073 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)o1 ZINC001129812474 786874548 /nfs/dbraw/zinc/87/45/48/786874548.db2.gz YINMUMPVGXFGKJ-NEPJUHHUSA-N 1 0 335.368 -1.064 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)cc1=O ZINC001129813682 786875729 /nfs/dbraw/zinc/87/57/29/786875729.db2.gz BNKKEHCLTRFJST-UHFFFAOYSA-N 1 0 331.336 -1.472 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)cc1=O ZINC001129813685 786875827 /nfs/dbraw/zinc/87/58/27/786875827.db2.gz BRCNGOXZUCNIKK-LLVKDONJSA-N 1 0 337.380 -1.605 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)cc1=O ZINC001129813686 786875120 /nfs/dbraw/zinc/87/51/20/786875120.db2.gz BRCNGOXZUCNIKK-NSHDSACASA-N 1 0 337.380 -1.605 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)cc1=O ZINC001129813702 786875258 /nfs/dbraw/zinc/87/52/58/786875258.db2.gz CFRIMMFZUQFOBO-NSHDSACASA-N 1 0 337.380 -1.917 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129813716 786875604 /nfs/dbraw/zinc/87/56/04/786875604.db2.gz CRSOCTKJQFZMMF-UHFFFAOYSA-N 1 0 338.368 -1.665 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)cc1=O ZINC001129813861 786875570 /nfs/dbraw/zinc/87/55/70/786875570.db2.gz GJYNPAHMLYNDMH-UHFFFAOYSA-N 1 0 342.421 -1.076 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cc(=O)n(C)cn1)S(C)(=O)=O ZINC001129813865 786875886 /nfs/dbraw/zinc/87/58/86/786875886.db2.gz GLIWDRRYLWYJSB-UHFFFAOYSA-N 1 0 331.398 -2.009 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129813925 786874438 /nfs/dbraw/zinc/87/44/38/786874438.db2.gz JCLOJKLIGUFTCT-UHFFFAOYSA-N 1 0 325.369 -1.748 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129813933 786875695 /nfs/dbraw/zinc/87/56/95/786875695.db2.gz JIDWFCDNHFVDIZ-UHFFFAOYSA-N 1 0 325.369 -1.748 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)cc1=O ZINC001129814120 786876012 /nfs/dbraw/zinc/87/60/12/786876012.db2.gz KSGQNXINLPYYGC-UHFFFAOYSA-N 1 0 337.365 -1.410 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cc(=O)n(C)cn1)C(=O)Nc1ncccn1 ZINC001129814207 786874775 /nfs/dbraw/zinc/87/47/75/786874775.db2.gz MWMWZVJJYOTVNF-JTQLQIEISA-N 1 0 345.363 -1.083 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cc(=O)n(C)cn1)C(=O)Nc1ncccn1 ZINC001129814208 786875481 /nfs/dbraw/zinc/87/54/81/786875481.db2.gz MWMWZVJJYOTVNF-SNVBAGLBSA-N 1 0 345.363 -1.083 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)cc1=O ZINC001129814320 786874612 /nfs/dbraw/zinc/87/46/12/786874612.db2.gz PFEGMDGAGQCMMQ-UHFFFAOYSA-N 1 0 336.352 -1.912 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)cc1=O ZINC001129814334 786874888 /nfs/dbraw/zinc/87/48/88/786874888.db2.gz PGHMLEZROHIPCD-UHFFFAOYSA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1=O ZINC001129814551 786874935 /nfs/dbraw/zinc/87/49/35/786874935.db2.gz UEISQQHWGDPDOS-UHFFFAOYSA-N 1 0 343.347 -1.364 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1=O ZINC001129814611 786874721 /nfs/dbraw/zinc/87/47/21/786874721.db2.gz WQYFEERCHHWGTD-UHFFFAOYSA-N 1 0 336.352 -2.942 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)cc1=O ZINC001129814636 786874527 /nfs/dbraw/zinc/87/45/27/786874527.db2.gz XKYDHHSWYLBJEP-UHFFFAOYSA-N 1 0 343.409 -1.865 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)cc1=O ZINC001129814642 786874821 /nfs/dbraw/zinc/87/48/21/786874821.db2.gz XLPUOLRILRSUBH-LLVKDONJSA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)cc1=O ZINC001129814643 786875540 /nfs/dbraw/zinc/87/55/40/786875540.db2.gz XLPUOLRILRSUBH-NSHDSACASA-N 1 0 342.421 -1.076 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129814731 786875148 /nfs/dbraw/zinc/87/51/48/786875148.db2.gz ZHXIKDMBXADCBH-UHFFFAOYSA-N 1 0 345.425 -1.571 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129816551 786874745 /nfs/dbraw/zinc/87/47/45/786874745.db2.gz DVXRVQRQPMBZIR-TUAOUCFPSA-N 1 0 335.368 -1.336 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129816553 786877728 /nfs/dbraw/zinc/87/77/28/786877728.db2.gz DVXRVQRQPMBZIR-UTUOFQBUSA-N 1 0 335.368 -1.336 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129816554 786876681 /nfs/dbraw/zinc/87/66/81/786876681.db2.gz DWUADVOTEISBMH-MNOVXSKESA-N 1 0 332.368 -1.255 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@@H]1n1ccnn1 ZINC001129816683 786878340 /nfs/dbraw/zinc/87/83/40/786878340.db2.gz HNPBVXGJARRFNC-NEPJUHHUSA-N 1 0 346.395 -1.279 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129816938 786877973 /nfs/dbraw/zinc/87/79/73/786877973.db2.gz OBZNLUFEUDSXRN-BDAKNGLRSA-N 1 0 347.339 -2.149 20 0 EAADRO O=C(c1ncc[nH]1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129816951 786877874 /nfs/dbraw/zinc/87/78/74/786877874.db2.gz OURVDANYKQNRTE-NEPJUHHUSA-N 1 0 335.368 -1.335 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129817013 786876967 /nfs/dbraw/zinc/87/69/67/786876967.db2.gz RHEAILVWNNNGGT-MNOVXSKESA-N 1 0 332.368 -1.207 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001129817019 786876936 /nfs/dbraw/zinc/87/69/36/786876936.db2.gz RREJYNLNXBDGPX-OLZOCXBDSA-N 1 0 346.395 -1.658 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1)NC1CC1 ZINC001129817348 786877808 /nfs/dbraw/zinc/87/78/08/786877808.db2.gz XTOOCYGIIWWGMV-NEPJUHHUSA-N 1 0 344.379 -1.065 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1=O ZINC001129818192 786876700 /nfs/dbraw/zinc/87/67/00/786876700.db2.gz DCSCJCCUAFRLLO-JTQLQIEISA-N 1 0 328.394 -1.466 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1=O ZINC001129818193 786876826 /nfs/dbraw/zinc/87/68/26/786876826.db2.gz DCSCJCCUAFRLLO-SNVBAGLBSA-N 1 0 328.394 -1.466 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129819054 786877186 /nfs/dbraw/zinc/87/71/86/786877186.db2.gz NIAKGGUNJBVOOE-NEPJUHHUSA-N 1 0 342.396 -1.488 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129819059 786876904 /nfs/dbraw/zinc/87/69/04/786876904.db2.gz NIAKGGUNJBVOOE-NWDGAFQWSA-N 1 0 342.396 -1.488 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129819061 786877208 /nfs/dbraw/zinc/87/72/08/786877208.db2.gz NIAKGGUNJBVOOE-RYUDHWBXSA-N 1 0 342.396 -1.488 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129819062 786876493 /nfs/dbraw/zinc/87/64/93/786876493.db2.gz NIAKGGUNJBVOOE-VXGBXAGGSA-N 1 0 342.396 -1.488 20 0 EAADRO CCc1c[nH]c(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001129819092 786878050 /nfs/dbraw/zinc/87/80/50/786878050.db2.gz OMMNZVBNCGQKRQ-UHFFFAOYSA-N 1 0 336.396 -1.821 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)[nH]1 ZINC001129822013 786876481 /nfs/dbraw/zinc/87/64/81/786876481.db2.gz AQKOLIPUZCOSPC-NEPJUHHUSA-N 1 0 334.384 -1.329 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@@H]1n1ccnn1 ZINC001129822227 786877629 /nfs/dbraw/zinc/87/76/29/786877629.db2.gz LKOXYINJYLNDNW-NEPJUHHUSA-N 1 0 334.384 -1.065 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@@H]1n1ccnn1 ZINC001129822313 786877433 /nfs/dbraw/zinc/87/74/33/786877433.db2.gz PTUBSVUIJZYJCM-MNOVXSKESA-N 1 0 347.383 -1.965 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1n1ccnn1 ZINC001129822597 786877852 /nfs/dbraw/zinc/87/78/52/786877852.db2.gz YRUSEFNSQSFDGP-OLZOCXBDSA-N 1 0 344.379 -1.222 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1 ZINC001129824969 786877659 /nfs/dbraw/zinc/87/76/59/786877659.db2.gz IMDZBCWEWOUBKI-NEPJUHHUSA-N 1 0 336.396 -1.329 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129825015 786877060 /nfs/dbraw/zinc/87/70/60/786877060.db2.gz KHCJVJGHVQPYEH-AXFHLTTASA-N 1 0 332.368 -1.209 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129825016 786877639 /nfs/dbraw/zinc/87/76/39/786877639.db2.gz KHCJVJGHVQPYEH-MXWKQRLJSA-N 1 0 332.368 -1.209 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cc1=O ZINC001129825034 786877035 /nfs/dbraw/zinc/87/70/35/786877035.db2.gz BKEBRCZJQSSUEO-UHFFFAOYSA-N 1 0 348.363 -2.303 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825070 786877174 /nfs/dbraw/zinc/87/71/74/786877174.db2.gz CSKJWLSHEHAIGE-UHFFFAOYSA-N 1 0 345.425 -1.619 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825071 786878117 /nfs/dbraw/zinc/87/81/17/786878117.db2.gz CUAUYDZIDKKVFJ-UHFFFAOYSA-N 1 0 325.369 -1.748 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825415 786876568 /nfs/dbraw/zinc/87/65/68/786876568.db2.gz FQNDHJBYHPVZQU-UHFFFAOYSA-N 1 0 330.410 -1.076 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1)CS(C)(=O)=O ZINC001129825430 786876955 /nfs/dbraw/zinc/87/69/55/786876955.db2.gz GEUGLXLNBBLGCN-JTQLQIEISA-N 1 0 330.410 -1.220 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1)CS(C)(=O)=O ZINC001129825431 786877531 /nfs/dbraw/zinc/87/75/31/786877531.db2.gz GEUGLXLNBBLGCN-SNVBAGLBSA-N 1 0 330.410 -1.220 20 0 EAADRO COCC1(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129825540 786876710 /nfs/dbraw/zinc/87/67/10/786876710.db2.gz ZJUOODAAWQQZFB-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO Cn1ccc(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)n1 ZINC001129825541 786876428 /nfs/dbraw/zinc/87/64/28/786876428.db2.gz ZKFZYZNHAAMHIO-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825915 786877682 /nfs/dbraw/zinc/87/76/82/786877682.db2.gz OEBGHSRXBAIUIE-LLVKDONJSA-N 1 0 328.369 -1.876 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825916 786877899 /nfs/dbraw/zinc/87/78/99/786877899.db2.gz OEBGHSRXBAIUIE-NSHDSACASA-N 1 0 328.369 -1.876 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825928 786878252 /nfs/dbraw/zinc/87/82/52/786878252.db2.gz OJLYLSGNBAXCDP-UHFFFAOYSA-N 1 0 331.398 -1.961 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129826136 786877337 /nfs/dbraw/zinc/87/73/37/786877337.db2.gz RHAUFXZEOUHBGH-LLVKDONJSA-N 1 0 339.396 -1.359 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129826137 786877091 /nfs/dbraw/zinc/87/70/91/786877091.db2.gz RHAUFXZEOUHBGH-NSHDSACASA-N 1 0 339.396 -1.359 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)cc1=O ZINC001129826154 786878232 /nfs/dbraw/zinc/87/82/32/786878232.db2.gz SLUCOOJCYVFEDC-LLVKDONJSA-N 1 0 337.380 -1.748 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)cc1=O ZINC001129826155 786876880 /nfs/dbraw/zinc/87/68/80/786876880.db2.gz SLUCOOJCYVFEDC-NSHDSACASA-N 1 0 337.380 -1.748 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)cc1=O ZINC001129826340 786876588 /nfs/dbraw/zinc/87/65/88/786876588.db2.gz WIUJVQVJJXQTTN-UHFFFAOYSA-N 1 0 336.352 -1.958 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)n(C)n1 ZINC001129826345 786877131 /nfs/dbraw/zinc/87/71/31/786877131.db2.gz WMLHPRRMXTXLLF-UHFFFAOYSA-N 1 0 347.379 -1.220 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)CCO1 ZINC001129826361 786877913 /nfs/dbraw/zinc/87/79/13/786877913.db2.gz XPJZBYBFZKKMPL-LLVKDONJSA-N 1 0 337.380 -1.653 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)CCO1 ZINC001129826362 786877481 /nfs/dbraw/zinc/87/74/81/786877481.db2.gz XPJZBYBFZKKMPL-NSHDSACASA-N 1 0 337.380 -1.653 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1=O ZINC001129826378 786877722 /nfs/dbraw/zinc/87/77/22/786877722.db2.gz YXFVRRRSPKZNCA-LLVKDONJSA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cnc(C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1=O ZINC001129826379 786877781 /nfs/dbraw/zinc/87/77/81/786877781.db2.gz YXFVRRRSPKZNCA-NSHDSACASA-N 1 0 342.421 -1.076 20 0 EAADRO Cc1c[nH]nc1C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129829245 786877109 /nfs/dbraw/zinc/87/71/09/786877109.db2.gz CAEJJGWZFGQOBO-OLZOCXBDSA-N 1 0 349.395 -1.026 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1 ZINC001129829632 786877766 /nfs/dbraw/zinc/87/77/66/786877766.db2.gz LECRNMPTXXIHNH-UPJWGTAASA-N 1 0 349.395 -1.028 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1 ZINC001129829633 786877421 /nfs/dbraw/zinc/87/74/21/786877421.db2.gz LECRNMPTXXIHNH-XQQFMLRXSA-N 1 0 349.395 -1.028 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1 ZINC001129830247 786878203 /nfs/dbraw/zinc/87/82/03/786878203.db2.gz YUECHGXZDDZJNU-MNOVXSKESA-N 1 0 332.368 -1.289 20 0 EAADRO CCc1c[nH]c(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC001129831392 786876441 /nfs/dbraw/zinc/87/64/41/786876441.db2.gz RUWSAGDPSIXTHO-UHFFFAOYSA-N 1 0 348.407 -1.182 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)NC(N)=O ZINC001129833639 786880074 /nfs/dbraw/zinc/88/00/74/786880074.db2.gz CQIIHFVMSLDOCN-AXFHLTTASA-N 1 0 325.373 -1.941 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)NC(N)=O ZINC001129833640 786878993 /nfs/dbraw/zinc/87/89/93/786878993.db2.gz CQIIHFVMSLDOCN-MXWKQRLJSA-N 1 0 325.373 -1.941 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129833902 786879251 /nfs/dbraw/zinc/87/92/51/786879251.db2.gz IMYGYYSWFPNPFP-TUAOUCFPSA-N 1 0 339.400 -1.287 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129833903 786878496 /nfs/dbraw/zinc/87/84/96/786878496.db2.gz IMYGYYSWFPNPFP-UTUOFQBUSA-N 1 0 339.400 -1.287 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129834166 786880394 /nfs/dbraw/zinc/88/03/94/786880394.db2.gz NYNYRGLOOLPXFP-MCIONIFRSA-N 1 0 339.396 -1.193 20 0 EAADRO O=C(CO[C@H]1CCOC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129834167 786879608 /nfs/dbraw/zinc/87/96/08/786879608.db2.gz NYNYRGLOOLPXFP-MJBXVCDLSA-N 1 0 339.396 -1.193 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)NC(N)=O ZINC001129834318 786880315 /nfs/dbraw/zinc/88/03/15/786880315.db2.gz UTQPMSIOQCBPLX-AEJSXWLSSA-N 1 0 338.372 -2.448 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)NC(N)=O ZINC001129834319 786878702 /nfs/dbraw/zinc/87/87/02/786878702.db2.gz UTQPMSIOQCBPLX-BBBLOLIVSA-N 1 0 338.372 -2.448 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)NC(N)=O ZINC001129834350 786878853 /nfs/dbraw/zinc/87/88/53/786878853.db2.gz VQLPKRTZHFAXNF-TUAOUCFPSA-N 1 0 339.400 -1.551 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)NC(N)=O ZINC001129834354 786879621 /nfs/dbraw/zinc/87/96/21/786879621.db2.gz VQLPKRTZHFAXNF-UTUOFQBUSA-N 1 0 339.400 -1.551 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129837694 786879063 /nfs/dbraw/zinc/87/90/63/786879063.db2.gz JRGDQEPWMOAGFD-OLZOCXBDSA-N 1 0 336.396 -1.078 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001129844114 786878161 /nfs/dbraw/zinc/87/81/61/786878161.db2.gz CLKHWVGYISXHOK-NEPJUHHUSA-N 1 0 344.441 -1.033 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129844166 786877306 /nfs/dbraw/zinc/87/73/06/786877306.db2.gz DTFICGOTPYDFSJ-MNOVXSKESA-N 1 0 348.404 -1.472 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129845167 786878318 /nfs/dbraw/zinc/87/83/18/786878318.db2.gz NRGYWOZDSJHPFX-MNOVXSKESA-N 1 0 346.413 -2.449 20 0 EAADRO CCO[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129845831 786876399 /nfs/dbraw/zinc/87/63/99/786876399.db2.gz VVJMCMWSBPDFLR-DYEKYZERSA-N 1 0 336.396 -1.080 20 0 EAADRO CCO[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129845834 786877937 /nfs/dbraw/zinc/87/79/37/786877937.db2.gz VVJMCMWSBPDFLR-MBNYWOFBSA-N 1 0 336.396 -1.080 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@@H]1n1ccnn1 ZINC001129846052 786877707 /nfs/dbraw/zinc/87/77/07/786877707.db2.gz WHIOGSLFSRTCOJ-MNOVXSKESA-N 1 0 330.414 -1.421 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@@H]1n1ccnn1 ZINC001129846406 786877695 /nfs/dbraw/zinc/87/76/95/786877695.db2.gz YXQPMGTWGQDOFS-NEPJUHHUSA-N 1 0 344.441 -1.031 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncc2ncn(C)c21 ZINC001129846828 786876462 /nfs/dbraw/zinc/87/64/62/786876462.db2.gz SCFSMGNSRWBFFI-UHFFFAOYSA-N 1 0 333.352 -1.257 20 0 EAADRO Cn1cnc2cncc(C(=O)NCC[NH2+]CCN3C(=O)CNC3=O)c21 ZINC001129849498 786877221 /nfs/dbraw/zinc/87/72/21/786877221.db2.gz HMEFASLUOKUQIC-UHFFFAOYSA-N 1 0 345.363 -1.161 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cncc2ncn(C)c21)C(=O)NC(N)=O ZINC001129849650 786877829 /nfs/dbraw/zinc/87/78/29/786877829.db2.gz OOMPLIAHEQVUGX-MRVPVSSYSA-N 1 0 333.352 -1.129 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cncc2ncn(C)c21)C(=O)NC(N)=O ZINC001129849651 786877505 /nfs/dbraw/zinc/87/75/05/786877505.db2.gz OOMPLIAHEQVUGX-QMMMGPOBSA-N 1 0 333.352 -1.129 20 0 EAADRO Cn1cnc2cncc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)c21 ZINC001129849715 786877998 /nfs/dbraw/zinc/87/79/98/786877998.db2.gz RLPSFAJYTNNHPC-UHFFFAOYSA-N 1 0 340.409 -1.163 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129854966 786877080 /nfs/dbraw/zinc/87/70/80/786877080.db2.gz DMVMMNXQNGAHKY-NEPJUHHUSA-N 1 0 335.372 -1.657 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1)OC ZINC001129855009 786878366 /nfs/dbraw/zinc/87/83/66/786878366.db2.gz FHOCNTKEIGCHOH-UPJWGTAASA-N 1 0 349.399 -1.269 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1)OC ZINC001129855024 786877959 /nfs/dbraw/zinc/87/79/59/786877959.db2.gz FHOCNTKEIGCHOH-XQQFMLRXSA-N 1 0 349.399 -1.269 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855056 786878130 /nfs/dbraw/zinc/87/81/30/786878130.db2.gz GBTSAPIKPMYWSK-UPJWGTAASA-N 1 0 349.399 -1.533 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855111 786876599 /nfs/dbraw/zinc/87/65/99/786876599.db2.gz GBTSAPIKPMYWSK-XQQFMLRXSA-N 1 0 349.399 -1.533 20 0 EAADRO CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855192 786877239 /nfs/dbraw/zinc/87/72/39/786877239.db2.gz HCAIYNMRGPCRBS-OLZOCXBDSA-N 1 0 349.399 -1.267 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855640 786878072 /nfs/dbraw/zinc/87/80/72/786878072.db2.gz PJABWFHXUWRHFU-NEPJUHHUSA-N 1 0 335.372 -1.657 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855655 786880177 /nfs/dbraw/zinc/88/01/77/786880177.db2.gz PKFKDRZEOQPKCO-MNOVXSKESA-N 1 0 348.371 -2.606 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855662 786878682 /nfs/dbraw/zinc/87/86/82/786878682.db2.gz PKNUPSBAZUAUCY-TUAOUCFPSA-N 1 0 335.372 -1.659 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855666 786878669 /nfs/dbraw/zinc/87/86/69/786878669.db2.gz PKNUPSBAZUAUCY-UTUOFQBUSA-N 1 0 335.372 -1.659 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855768 786879712 /nfs/dbraw/zinc/87/97/12/786879712.db2.gz QZBNBFHYARTWDH-AXFHLTTASA-N 1 0 348.371 -2.559 20 0 EAADRO 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PWFZZQLNAIGPHS-TUAOUCFPSA-N 1 0 344.441 -1.033 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]1n1ccnn1 ZINC001129858104 786879245 /nfs/dbraw/zinc/87/92/45/786879245.db2.gz PWFZZQLNAIGPHS-UTUOFQBUSA-N 1 0 344.441 -1.033 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1n1ccnn1 ZINC001129863329 786878744 /nfs/dbraw/zinc/87/87/44/786878744.db2.gz BZWUAELQNIAGME-MNOVXSKESA-N 1 0 346.351 -1.544 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129863401 786880327 /nfs/dbraw/zinc/88/03/27/786880327.db2.gz DJLFZRCTISJRLM-ZWUHOBOKSA-N 1 0 348.407 -1.256 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129863738 786879296 /nfs/dbraw/zinc/87/92/96/786879296.db2.gz ILEZGBBOENLWNM-ZJUUUORDSA-N 1 0 346.338 -1.223 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129864169 786878643 /nfs/dbraw/zinc/87/86/43/786878643.db2.gz RURJJMSYUUIDTL-NEPJUHHUSA-N 1 0 343.409 -1.689 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129864209 786878826 /nfs/dbraw/zinc/87/88/26/786878826.db2.gz UIMOVCXTTNSQTI-ZWUHOBOKSA-N 1 0 348.407 -1.208 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129864340 786880362 /nfs/dbraw/zinc/88/03/62/786880362.db2.gz WOEURJZLLLEQIF-NEPJUHHUSA-N 1 0 343.409 -1.953 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129865450 786878876 /nfs/dbraw/zinc/87/88/76/786878876.db2.gz LKIYLXMYNLQFKL-BMIGLBTASA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129865454 786879221 /nfs/dbraw/zinc/87/92/21/786879221.db2.gz LKIYLXMYNLQFKL-BONVTDFDSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129865456 786880216 /nfs/dbraw/zinc/88/02/16/786880216.db2.gz LKIYLXMYNLQFKL-MEBBXXQBSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129865458 786878905 /nfs/dbraw/zinc/87/89/05/786878905.db2.gz LKIYLXMYNLQFKL-ZUZCIYMTSA-N 1 0 341.412 -1.157 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CCNC1=O ZINC001129865624 786878620 /nfs/dbraw/zinc/87/86/20/786878620.db2.gz POOLXJDBUUBJSA-INIZCTEOSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CCNC1=O ZINC001129865625 786878572 /nfs/dbraw/zinc/87/85/72/786878572.db2.gz POOLXJDBUUBJSA-MRXNPFEDSA-N 1 0 340.424 -1.096 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129865998 786880266 /nfs/dbraw/zinc/88/02/66/786880266.db2.gz ZYXQQFKZPSKONW-HNNXBMFYSA-N 1 0 328.413 -1.239 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129866001 786879500 /nfs/dbraw/zinc/87/95/00/786879500.db2.gz ZYXQQFKZPSKONW-OAHLLOKOSA-N 1 0 328.413 -1.239 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129866977 786881816 /nfs/dbraw/zinc/88/18/16/786881816.db2.gz LUTIBHPUFNXNIH-TUAOUCFPSA-N 1 0 342.375 -1.260 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129866979 786882180 /nfs/dbraw/zinc/88/21/80/786882180.db2.gz LUTIBHPUFNXNIH-UTUOFQBUSA-N 1 0 342.375 -1.260 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129867326 786880847 /nfs/dbraw/zinc/88/08/47/786880847.db2.gz RBMAOGDKLRGZMS-TUAOUCFPSA-N 1 0 340.384 -2.237 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129867327 786881665 /nfs/dbraw/zinc/88/16/65/786881665.db2.gz RBMAOGDKLRGZMS-UTUOFQBUSA-N 1 0 340.384 -2.237 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129867822 786882203 /nfs/dbraw/zinc/88/22/03/786882203.db2.gz YAQVXDYAPWLRBK-UPJWGTAASA-N 1 0 338.412 -1.083 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129867823 786880723 /nfs/dbraw/zinc/88/07/23/786880723.db2.gz YAQVXDYAPWLRBK-XQQFMLRXSA-N 1 0 338.412 -1.083 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129867875 786882292 /nfs/dbraw/zinc/88/22/92/786882292.db2.gz ZXKCWUGNTYHYQN-AXFHLTTASA-N 1 0 337.384 -1.980 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129867876 786881341 /nfs/dbraw/zinc/88/13/41/786881341.db2.gz ZXKCWUGNTYHYQN-MXWKQRLJSA-N 1 0 337.384 -1.980 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001129870121 786880815 /nfs/dbraw/zinc/88/08/15/786880815.db2.gz ADZLKZWDQKNPDA-HNNXBMFYSA-N 1 0 339.396 -2.433 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001129870141 786881538 /nfs/dbraw/zinc/88/15/38/786881538.db2.gz ADZLKZWDQKNPDA-OAHLLOKOSA-N 1 0 339.396 -2.433 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CCNC1=O ZINC001129870142 786882015 /nfs/dbraw/zinc/88/20/15/786882015.db2.gz AERLAGVFUKTTEJ-HNNXBMFYSA-N 1 0 339.396 -1.403 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CCNC1=O ZINC001129870147 786881460 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CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NCCCOC)CCNC1=O ZINC001129870587 786881877 /nfs/dbraw/zinc/88/18/77/786881877.db2.gz IFIFOLJFNIZWNV-OAHLLOKOSA-N 1 0 328.413 -1.239 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CCNC1=O ZINC001129870645 786880970 /nfs/dbraw/zinc/88/09/70/786880970.db2.gz JRWWHXRWTHPUMW-CYBMUJFWSA-N 1 0 334.442 -1.500 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CCNC1=O ZINC001129870647 786882935 /nfs/dbraw/zinc/88/29/35/786882935.db2.gz JRWWHXRWTHPUMW-ZDUSSCGKSA-N 1 0 334.442 -1.500 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CCNC1=O ZINC001129870650 786882812 /nfs/dbraw/zinc/88/28/12/786882812.db2.gz JTVAOGHVLZCNLQ-HNNXBMFYSA-N 1 0 339.396 -1.450 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CCNC1=O ZINC001129870651 786883821 /nfs/dbraw/zinc/88/38/21/786883821.db2.gz JTVAOGHVLZCNLQ-OAHLLOKOSA-N 1 0 339.396 -1.450 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CCNC1=O ZINC001129870673 786884323 /nfs/dbraw/zinc/88/43/23/786884323.db2.gz 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/nfs/dbraw/zinc/88/35/66/786883566.db2.gz KXWKFWPOYNXMCK-DOMZBBRYSA-N 1 0 331.413 -1.368 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]C[C@@H](O)COCCOC)CCNC1=O ZINC001129870745 786884079 /nfs/dbraw/zinc/88/40/79/786884079.db2.gz KXWKFWPOYNXMCK-IUODEOHRSA-N 1 0 331.413 -1.368 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]C[C@H](O)COCCOC)CCNC1=O ZINC001129870752 786884448 /nfs/dbraw/zinc/88/44/48/786884448.db2.gz KXWKFWPOYNXMCK-SWLSCSKDSA-N 1 0 331.413 -1.368 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]C[C@H](O)COCCOC)CCNC1=O ZINC001129870753 786883262 /nfs/dbraw/zinc/88/32/62/786883262.db2.gz KXWKFWPOYNXMCK-WFASDCNBSA-N 1 0 331.413 -1.368 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CCNC1=O ZINC001129871049 786883164 /nfs/dbraw/zinc/88/31/64/786883164.db2.gz NKPCSMNWRGUWNR-BLLLJJGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CCNC1=O ZINC001129871050 786884115 /nfs/dbraw/zinc/88/41/15/786884115.db2.gz NKPCSMNWRGUWNR-LRDDRELGSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CCNC1=O ZINC001129871051 786883754 /nfs/dbraw/zinc/88/37/54/786883754.db2.gz NKPCSMNWRGUWNR-MLGOLLRUSA-N 1 0 340.424 -1.096 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CCNC1=O ZINC001129871052 786884303 /nfs/dbraw/zinc/88/43/03/786884303.db2.gz NKPCSMNWRGUWNR-WBMJQRKESA-N 1 0 340.424 -1.096 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129871631 786883910 /nfs/dbraw/zinc/88/39/10/786883910.db2.gz SBYJYMNLPKLARE-AWEZNQCLSA-N 1 0 327.385 -1.546 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129871644 786883613 /nfs/dbraw/zinc/88/36/13/786883613.db2.gz SBYJYMNLPKLARE-CQSZACIVSA-N 1 0 327.385 -1.546 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCNC1=O ZINC001129871647 786884482 /nfs/dbraw/zinc/88/44/82/786884482.db2.gz SCOVHFKUBZIFPT-AWEZNQCLSA-N 1 0 325.369 -1.840 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCNC1=O ZINC001129871654 786883538 /nfs/dbraw/zinc/88/35/38/786883538.db2.gz SCOVHFKUBZIFPT-CQSZACIVSA-N 1 0 325.369 -1.840 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CCNC1=O ZINC001129871831 786883773 /nfs/dbraw/zinc/88/37/73/786883773.db2.gz STCDDVSZJOHMJN-BLLLJJGKSA-N 1 0 340.424 -1.144 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CCNC1=O ZINC001129871836 786884174 /nfs/dbraw/zinc/88/41/74/786884174.db2.gz STCDDVSZJOHMJN-LRDDRELGSA-N 1 0 340.424 -1.144 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CCNC1=O ZINC001129871838 786883698 /nfs/dbraw/zinc/88/36/98/786883698.db2.gz STCDDVSZJOHMJN-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CCNC1=O ZINC001129871840 786884458 /nfs/dbraw/zinc/88/44/58/786884458.db2.gz STCDDVSZJOHMJN-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129871947 786884157 /nfs/dbraw/zinc/88/41/57/786884157.db2.gz UQIYOPXBPOXERG-HNNXBMFYSA-N 1 0 341.412 -1.156 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129871949 786884055 /nfs/dbraw/zinc/88/40/55/786884055.db2.gz UQIYOPXBPOXERG-OAHLLOKOSA-N 1 0 341.412 -1.156 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CCNC1=O ZINC001129871955 786883813 /nfs/dbraw/zinc/88/38/13/786883813.db2.gz URQYGFBIZNCCLX-BLLLJJGKSA-N 1 0 340.424 -1.408 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CCNC1=O ZINC001129871965 786883191 /nfs/dbraw/zinc/88/31/91/786883191.db2.gz URQYGFBIZNCCLX-LRDDRELGSA-N 1 0 340.424 -1.408 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CCNC1=O ZINC001129872588 786884406 /nfs/dbraw/zinc/88/44/06/786884406.db2.gz ZGESBBZHZYWCBF-AWEZNQCLSA-N 1 0 348.469 -1.110 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CCNC1=O ZINC001129872593 786884013 /nfs/dbraw/zinc/88/40/13/786884013.db2.gz ZGESBBZHZYWCBF-CQSZACIVSA-N 1 0 348.469 -1.110 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874405 786883226 /nfs/dbraw/zinc/88/32/26/786883226.db2.gz CUYZUESQVDDJAB-NEPJUHHUSA-N 1 0 347.383 -1.953 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874517 786883315 /nfs/dbraw/zinc/88/33/15/786883315.db2.gz IYVIOAMFSBMZHL-NEPJUHHUSA-N 1 0 347.383 -2.001 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874590 786884505 /nfs/dbraw/zinc/88/45/05/786884505.db2.gz KOUHPQQDJOVXMK-MNOVXSKESA-N 1 0 333.356 -2.343 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874689 786884531 /nfs/dbraw/zinc/88/45/31/786884531.db2.gz NLCRMWWURZWVKY-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874718 786882894 /nfs/dbraw/zinc/88/28/94/786882894.db2.gz NVZHQIIMHRMSBZ-UPJWGTAASA-N 1 0 334.384 -1.054 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874730 786884557 /nfs/dbraw/zinc/88/45/57/786884557.db2.gz NVZHQIIMHRMSBZ-XQQFMLRXSA-N 1 0 334.384 -1.054 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874754 786884002 /nfs/dbraw/zinc/88/40/02/786884002.db2.gz OCIBYFDOHSLOLK-UPJWGTAASA-N 1 0 334.384 -1.054 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129874755 786884596 /nfs/dbraw/zinc/88/45/96/786884596.db2.gz OCIBYFDOHSLOLK-XQQFMLRXSA-N 1 0 334.384 -1.054 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129875089 786883547 /nfs/dbraw/zinc/88/35/47/786883547.db2.gz XXJDZGQAQPUPPA-TUAOUCFPSA-N 1 0 347.383 -1.954 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129875090 786882975 /nfs/dbraw/zinc/88/29/75/786882975.db2.gz XXJDZGQAQPUPPA-UTUOFQBUSA-N 1 0 347.383 -1.954 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCNC1=O ZINC001129875330 786884491 /nfs/dbraw/zinc/88/44/91/786884491.db2.gz NBULJZCCTMLAGU-BLLLJJGKSA-N 1 0 340.424 -1.239 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCNC1=O ZINC001129875331 786883445 /nfs/dbraw/zinc/88/34/45/786883445.db2.gz NBULJZCCTMLAGU-LRDDRELGSA-N 1 0 340.424 -1.239 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CCNC1=O ZINC001129875332 786882849 /nfs/dbraw/zinc/88/28/49/786882849.db2.gz NBULJZCCTMLAGU-MLGOLLRUSA-N 1 0 340.424 -1.239 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CCNC1=O ZINC001129875333 786883242 /nfs/dbraw/zinc/88/32/42/786883242.db2.gz NBULJZCCTMLAGU-WBMJQRKESA-N 1 0 340.424 -1.239 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)CCNC1=O ZINC001129875478 786884239 /nfs/dbraw/zinc/88/42/39/786884239.db2.gz QMVWIQGVKFSSHD-LKFCYVNXSA-N 1 0 327.385 -1.547 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)CCNC1=O ZINC001129875479 786883295 /nfs/dbraw/zinc/88/32/95/786883295.db2.gz QMVWIQGVKFSSHD-OTYXRUKQSA-N 1 0 327.385 -1.547 20 0 EAADRO CC[C@]1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)CCNC1=O ZINC001129875480 786883627 /nfs/dbraw/zinc/88/36/27/786883627.db2.gz QMVWIQGVKFSSHD-XPTSAGLGSA-N 1 0 327.385 -1.547 20 0 EAADRO CC[C@@]1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)CCNC1=O ZINC001129875481 786883123 /nfs/dbraw/zinc/88/31/23/786883123.db2.gz QMVWIQGVKFSSHD-YMTOWFKASA-N 1 0 327.385 -1.547 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001129875526 786883519 /nfs/dbraw/zinc/88/35/19/786883519.db2.gz RXAYFUWTDZAVOW-HNNXBMFYSA-N 1 0 339.396 -1.416 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001129875527 786883036 /nfs/dbraw/zinc/88/30/36/786883036.db2.gz RXAYFUWTDZAVOW-OAHLLOKOSA-N 1 0 339.396 -1.416 20 0 EAADRO O=C(CNC(=O)c1ccoc1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129876700 786883872 /nfs/dbraw/zinc/88/38/72/786883872.db2.gz WJLIUGDFMBUYRD-OLZOCXBDSA-N 1 0 348.363 -1.365 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001129878085 786879176 /nfs/dbraw/zinc/87/91/76/786879176.db2.gz FCMPBUUDGVCKFK-HNNXBMFYSA-N 1 0 341.412 -1.300 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001129878086 786880099 /nfs/dbraw/zinc/88/00/99/786880099.db2.gz FCMPBUUDGVCKFK-OAHLLOKOSA-N 1 0 341.412 -1.300 20 0 EAADRO CC(C)C[C@@]1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CCNC1=O ZINC001129878156 786878519 /nfs/dbraw/zinc/87/85/19/786878519.db2.gz HMDDFTQFAUFNDZ-AWEZNQCLSA-N 1 0 327.385 -1.561 20 0 EAADRO CC(C)C[C@]1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CCNC1=O ZINC001129878157 786879114 /nfs/dbraw/zinc/87/91/14/786879114.db2.gz HMDDFTQFAUFNDZ-CQSZACIVSA-N 1 0 327.385 -1.561 20 0 EAADRO COCC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129878851 786879752 /nfs/dbraw/zinc/87/97/52/786879752.db2.gz IHCNUWPALASZGT-NEPJUHHUSA-N 1 0 340.384 -2.283 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 ZINC001129878960 786878479 /nfs/dbraw/zinc/87/84/79/786878479.db2.gz MBAKZGOMSOYMRR-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001129878965 786879202 /nfs/dbraw/zinc/87/92/02/786879202.db2.gz MCDZPDZZEGYJDI-TUAOUCFPSA-N 1 0 349.395 -2.156 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001129878966 786879379 /nfs/dbraw/zinc/87/93/79/786879379.db2.gz MCDZPDZZEGYJDI-UTUOFQBUSA-N 1 0 349.395 -2.156 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1=O ZINC001129879044 786880383 /nfs/dbraw/zinc/88/03/83/786880383.db2.gz OVHOHNXBOJGJMA-UPJWGTAASA-N 1 0 336.396 -1.520 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1=O ZINC001129879045 786878692 /nfs/dbraw/zinc/87/86/92/786878692.db2.gz OVHOHNXBOJGJMA-XQQFMLRXSA-N 1 0 336.396 -1.520 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129879051 786879737 /nfs/dbraw/zinc/87/97/37/786879737.db2.gz PAMPVDHWKLYLFA-NEPJUHHUSA-N 1 0 342.375 -1.258 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001129879084 786879869 /nfs/dbraw/zinc/87/98/69/786879869.db2.gz QVBBXUZHPFPZAL-UPJWGTAASA-N 1 0 336.396 -1.256 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001129879085 786880117 /nfs/dbraw/zinc/88/01/17/786880117.db2.gz QVBBXUZHPFPZAL-XQQFMLRXSA-N 1 0 336.396 -1.256 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129879140 786878771 /nfs/dbraw/zinc/87/87/71/786878771.db2.gz UIOMBYMTEFRUFG-NEPJUHHUSA-N 1 0 340.384 -2.235 20 0 EAADRO COCC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129879155 786878541 /nfs/dbraw/zinc/87/85/41/786878541.db2.gz VAMGPOUWCXBKTP-NEPJUHHUSA-N 1 0 342.375 -1.306 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129881229 786879826 /nfs/dbraw/zinc/87/98/26/786879826.db2.gz AJOJUZIJEPEMKK-MNOVXSKESA-N 1 0 330.414 -1.421 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129881234 786878728 /nfs/dbraw/zinc/87/87/28/786878728.db2.gz AOELNFFKPIPSIG-NEPJUHHUSA-N 1 0 339.400 -1.415 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129881279 786879975 /nfs/dbraw/zinc/87/99/75/786879975.db2.gz DIHSWPZDYFMHNQ-OLZOCXBDSA-N 1 0 338.412 -1.274 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129881432 786879895 /nfs/dbraw/zinc/87/98/95/786879895.db2.gz HWFQGRCLGHVDBD-MNOVXSKESA-N 1 0 348.404 -1.472 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@@H]1n1ccnn1 ZINC001129881454 786879486 /nfs/dbraw/zinc/87/94/86/786879486.db2.gz JHXDSWPMIRGOGX-NEPJUHHUSA-N 1 0 344.441 -1.031 20 0 EAADRO CS(=O)(=O)NCCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129881456 786879842 /nfs/dbraw/zinc/87/98/42/786879842.db2.gz JOTRBBPCXZEAKK-MNOVXSKESA-N 1 0 348.404 -1.472 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129881474 786878562 /nfs/dbraw/zinc/87/85/62/786878562.db2.gz KJJHCWFLCKSGSU-NEPJUHHUSA-N 1 0 339.400 -1.415 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129881484 786879921 /nfs/dbraw/zinc/87/99/21/786879921.db2.gz KUAHMTRPQIKKCX-MNOVXSKESA-N 1 0 325.373 -2.069 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129881508 786878805 /nfs/dbraw/zinc/87/88/05/786878805.db2.gz LLWJFPYHPOFGMT-TUAOUCFPSA-N 1 0 339.400 -1.417 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129881511 786879633 /nfs/dbraw/zinc/87/96/33/786879633.db2.gz LLWJFPYHPOFGMT-UTUOFQBUSA-N 1 0 339.400 -1.417 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129881635 786879402 /nfs/dbraw/zinc/87/94/02/786879402.db2.gz MTBIOHRWSBCVNB-MNOVXSKESA-N 1 0 325.373 -1.805 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129881666 786880148 /nfs/dbraw/zinc/88/01/48/786880148.db2.gz OFKJVNIFEXLCHN-NEPJUHHUSA-N 1 0 344.441 -1.033 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129881698 786879453 /nfs/dbraw/zinc/87/94/53/786879453.db2.gz PMAOGHVCCCMSNJ-NEPJUHHUSA-N 1 0 344.441 -1.031 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001129881705 786879515 /nfs/dbraw/zinc/87/95/15/786879515.db2.gz PULWXYWMZMMDFY-NEPJUHHUSA-N 1 0 344.441 -1.033 20 0 EAADRO CS(=O)(=O)NCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129881788 786880299 /nfs/dbraw/zinc/88/02/99/786880299.db2.gz SNPFKMQDJSIRIO-MNOVXSKESA-N 1 0 346.413 -2.449 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129881895 786879784 /nfs/dbraw/zinc/87/97/84/786879784.db2.gz WWCWTJBSDSLAEG-MNOVXSKESA-N 1 0 346.413 -2.449 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129881954 786881838 /nfs/dbraw/zinc/88/18/38/786881838.db2.gz YJCCMWHSMWFVMH-AEJSXWLSSA-N 1 0 338.372 -2.578 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129881955 786881437 /nfs/dbraw/zinc/88/14/37/786881437.db2.gz YJCCMWHSMWFVMH-BBBLOLIVSA-N 1 0 338.372 -2.578 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@@H]1n1ccnn1 ZINC001129881979 786881331 /nfs/dbraw/zinc/88/13/31/786881331.db2.gz ZRSCRGNZZVHFLL-MNOVXSKESA-N 1 0 330.414 -1.421 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129883953 786882212 /nfs/dbraw/zinc/88/22/12/786882212.db2.gz AZFQFBRLTFOWAE-ZJUUUORDSA-N 1 0 338.372 -2.705 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129884330 786880519 /nfs/dbraw/zinc/88/05/19/786880519.db2.gz KATMMCGVGPNRLQ-AXFHLTTASA-N 1 0 325.373 -2.071 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129884336 786880633 /nfs/dbraw/zinc/88/06/33/786880633.db2.gz KATMMCGVGPNRLQ-MXWKQRLJSA-N 1 0 325.373 -2.071 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129884421 786881926 /nfs/dbraw/zinc/88/19/26/786881926.db2.gz NLGXHYMQSWDDIX-MNOVXSKESA-N 1 0 327.364 -1.092 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129884423 786882090 /nfs/dbraw/zinc/88/20/90/786882090.db2.gz NORAGLXEPFASHW-DGAVXFQQSA-N 1 0 339.396 -1.337 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129884424 786882513 /nfs/dbraw/zinc/88/25/13/786882513.db2.gz NORAGLXEPFASHW-FQUUOJAGSA-N 1 0 339.396 -1.337 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129884668 786881942 /nfs/dbraw/zinc/88/19/42/786881942.db2.gz QMUAMBWRQPIWRY-TUAOUCFPSA-N 1 0 339.400 -1.417 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129884670 786881956 /nfs/dbraw/zinc/88/19/56/786881956.db2.gz QMUAMBWRQPIWRY-UTUOFQBUSA-N 1 0 339.400 -1.417 20 0 EAADRO CC(C)C[C@@]1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001129885327 786881516 /nfs/dbraw/zinc/88/15/16/786881516.db2.gz YXEFINMSFLZDGC-AWEZNQCLSA-N 1 0 348.469 -1.206 20 0 EAADRO CC(C)C[C@]1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001129885328 786881738 /nfs/dbraw/zinc/88/17/38/786881738.db2.gz YXEFINMSFLZDGC-CQSZACIVSA-N 1 0 348.469 -1.206 20 0 EAADRO CC(C)C[C@@]1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CCNC1=O ZINC001129886699 786882141 /nfs/dbraw/zinc/88/21/41/786882141.db2.gz QBQZZYYDSPLGKN-BMIGLBTASA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)C[C@@]1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CCNC1=O ZINC001129886700 786882066 /nfs/dbraw/zinc/88/20/66/786882066.db2.gz QBQZZYYDSPLGKN-BONVTDFDSA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)C[C@]1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CCNC1=O ZINC001129886701 786882325 /nfs/dbraw/zinc/88/23/25/786882325.db2.gz QBQZZYYDSPLGKN-MEBBXXQBSA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)C[C@]1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CCNC1=O ZINC001129886702 786881102 /nfs/dbraw/zinc/88/11/02/786881102.db2.gz QBQZZYYDSPLGKN-ZUZCIYMTSA-N 1 0 341.412 -1.172 20 0 EAADRO CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129886760 786881278 /nfs/dbraw/zinc/88/12/78/786881278.db2.gz RNANOHCSGNCDNE-RISCZKNCSA-N 1 0 326.397 -1.534 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001129887544 786881063 /nfs/dbraw/zinc/88/10/63/786881063.db2.gz DXEGNIYUVYZLHV-OLZOCXBDSA-N 1 0 346.395 -1.279 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129887591 786882426 /nfs/dbraw/zinc/88/24/26/786882426.db2.gz GXXYJJFYHFPOLI-NEPJUHHUSA-N 1 0 344.441 -1.081 20 0 EAADRO CN(CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)S(C)(=O)=O ZINC001129887703 786880873 /nfs/dbraw/zinc/88/08/73/786880873.db2.gz MTZVIRQCJJVBFE-MNOVXSKESA-N 1 0 346.413 -2.497 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129887773 786881008 /nfs/dbraw/zinc/88/10/08/786881008.db2.gz PRADAZJITCQZBT-NEPJUHHUSA-N 1 0 344.441 -1.079 20 0 EAADRO CN(CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)S(C)(=O)=O ZINC001129887780 786880537 /nfs/dbraw/zinc/88/05/37/786880537.db2.gz QIJDMDXHLMYIBE-MNOVXSKESA-N 1 0 348.404 -1.520 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129887792 786880836 /nfs/dbraw/zinc/88/08/36/786880836.db2.gz RGQYAWHFEIBNAE-MNOVXSKESA-N 1 0 330.414 -1.469 20 0 EAADRO CN(CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C(=O)C1CC1 ZINC001129887874 786880609 /nfs/dbraw/zinc/88/06/09/786880609.db2.gz VGMAUWVTSBIWQQ-NEPJUHHUSA-N 1 0 349.395 -2.027 20 0 EAADRO CN(CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C(=O)C1CC1 ZINC001129887908 786881645 /nfs/dbraw/zinc/88/16/45/786881645.db2.gz WUVIUBFNQKKBJL-OLZOCXBDSA-N 1 0 336.396 -1.520 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129888859 786882355 /nfs/dbraw/zinc/88/23/55/786882355.db2.gz IIVHMNYTVRBTTE-UHFFFAOYSA-N 1 0 339.396 -1.115 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cnc2n1CCOC2)S(C)(=O)=O ZINC001129888905 786881902 /nfs/dbraw/zinc/88/19/02/786881902.db2.gz JPUDFUPUPSCMLW-UHFFFAOYSA-N 1 0 345.425 -1.376 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cnc2n1CCOC2 ZINC001129888922 786881558 /nfs/dbraw/zinc/88/15/58/786881558.db2.gz KGVHRPMCVWQYRS-UHFFFAOYSA-N 1 0 336.352 -1.716 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129888944 786881039 /nfs/dbraw/zinc/88/10/39/786881039.db2.gz LJGXQUNKBRWEJV-UHFFFAOYSA-N 1 0 331.398 -1.718 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001129888967 786881579 /nfs/dbraw/zinc/88/15/79/786881579.db2.gz MACYPCLQTHLDAC-JTQLQIEISA-N 1 0 335.368 -1.654 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001129888968 786881146 /nfs/dbraw/zinc/88/11/46/786881146.db2.gz MACYPCLQTHLDAC-SNVBAGLBSA-N 1 0 335.368 -1.654 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129889030 786881596 /nfs/dbraw/zinc/88/15/96/786881596.db2.gz OCISXTWVGGGAGF-UHFFFAOYSA-N 1 0 339.396 -1.115 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129889058 786880772 /nfs/dbraw/zinc/88/07/72/786880772.db2.gz OUWHDHSADOTXJS-UHFFFAOYSA-N 1 0 345.425 -1.328 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001129889158 786881713 /nfs/dbraw/zinc/88/17/13/786881713.db2.gz SHGXJWSNKPBNRP-LLVKDONJSA-N 1 0 349.395 -1.393 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001129889159 786880747 /nfs/dbraw/zinc/88/07/47/786880747.db2.gz SHGXJWSNKPBNRP-NSHDSACASA-N 1 0 349.395 -1.393 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129889187 786880988 /nfs/dbraw/zinc/88/09/88/786880988.db2.gz TWQNZORIVPUDKI-GFCCVEGCSA-N 1 0 342.396 -1.243 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129889188 786881234 /nfs/dbraw/zinc/88/12/34/786881234.db2.gz TWQNZORIVPUDKI-LBPRGKRZSA-N 1 0 342.396 -1.243 20 0 EAADRO COCCC1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129890508 786881994 /nfs/dbraw/zinc/88/19/94/786881994.db2.gz LSUHPQXROQSKFM-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129890539 786881689 /nfs/dbraw/zinc/88/16/89/786881689.db2.gz MXIMCYZYQIVHAI-UPJWGTAASA-N 1 0 336.396 -1.208 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129890540 786881210 /nfs/dbraw/zinc/88/12/10/786881210.db2.gz MXIMCYZYQIVHAI-XQQFMLRXSA-N 1 0 336.396 -1.208 20 0 EAADRO O=C(CCCn1ccnn1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129890588 786880792 /nfs/dbraw/zinc/88/07/92/786880792.db2.gz PCCHOAOEINEZQQ-OLZOCXBDSA-N 1 0 334.384 -1.316 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129890605 786880895 /nfs/dbraw/zinc/88/08/95/786880895.db2.gz QDOFZMUGCQVZKK-TUAOUCFPSA-N 1 0 349.395 -2.108 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129890606 786881298 /nfs/dbraw/zinc/88/12/98/786881298.db2.gz QDOFZMUGCQVZKK-UTUOFQBUSA-N 1 0 349.395 -2.108 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnn2)C[C@@H]1n1ccnn1 ZINC001129890635 786881491 /nfs/dbraw/zinc/88/14/91/786881491.db2.gz RQPGIRHBUMDMFN-NEPJUHHUSA-N 1 0 347.383 -1.823 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129891725 786882164 /nfs/dbraw/zinc/88/21/64/786882164.db2.gz SIZGFXTUKSLDQQ-SECBINFHSA-N 1 0 338.368 -1.423 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129891727 786882102 /nfs/dbraw/zinc/88/21/02/786882102.db2.gz SIZGFXTUKSLDQQ-VIFPVBQESA-N 1 0 338.368 -1.423 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129892070 786880941 /nfs/dbraw/zinc/88/09/41/786880941.db2.gz GBPBNOSGCKZMMF-OLZOCXBDSA-N 1 0 347.379 -1.095 20 0 EAADRO O=C(C[C@H]1CCNC1=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129892258 786881026 /nfs/dbraw/zinc/88/10/26/786881026.db2.gz ORNQDKDHTYDYCX-UPJWGTAASA-N 1 0 336.396 -1.472 20 0 EAADRO O=C(C[C@@H]1CCNC1=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129892259 786881321 /nfs/dbraw/zinc/88/13/21/786881321.db2.gz ORNQDKDHTYDYCX-XQQFMLRXSA-N 1 0 336.396 -1.472 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCCN1c1ncccn1 ZINC001129892890 786882828 /nfs/dbraw/zinc/88/28/28/786882828.db2.gz DQAMBROYCKUSKB-NEPJUHHUSA-N 1 0 346.391 -1.044 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCCN1c1ncccn1 ZINC001129892891 786883147 /nfs/dbraw/zinc/88/31/47/786883147.db2.gz DQAMBROYCKUSKB-NWDGAFQWSA-N 1 0 346.391 -1.044 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCCN1c1ncccn1 ZINC001129892892 786883895 /nfs/dbraw/zinc/88/38/95/786883895.db2.gz DQAMBROYCKUSKB-RYUDHWBXSA-N 1 0 346.391 -1.044 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCCN1c1ncccn1 ZINC001129892893 786884611 /nfs/dbraw/zinc/88/46/11/786884611.db2.gz DQAMBROYCKUSKB-VXGBXAGGSA-N 1 0 346.391 -1.044 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129893084 786880645 /nfs/dbraw/zinc/88/06/45/786880645.db2.gz HLXROXLNEPLLGE-IJLUTSLNSA-N 1 0 349.391 -1.271 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129893088 786881164 /nfs/dbraw/zinc/88/11/64/786881164.db2.gz HLXROXLNEPLLGE-QJPTWQEYSA-N 1 0 349.391 -1.271 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1c1ncccn1)C(=O)NC(N)=O ZINC001129893520 786884758 /nfs/dbraw/zinc/88/47/58/786884758.db2.gz TUUIRYMYLMUVKJ-GHMZBOCLSA-N 1 0 349.395 -1.265 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)NC(N)=O ZINC001129893521 786885037 /nfs/dbraw/zinc/88/50/37/786885037.db2.gz TUUIRYMYLMUVKJ-MNOVXSKESA-N 1 0 349.395 -1.265 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)NC(N)=O ZINC001129893522 786886305 /nfs/dbraw/zinc/88/63/05/786886305.db2.gz TUUIRYMYLMUVKJ-QWRGUYRKSA-N 1 0 349.395 -1.265 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1c1ncccn1)C(=O)NC(N)=O ZINC001129893523 786886635 /nfs/dbraw/zinc/88/66/35/786886635.db2.gz TUUIRYMYLMUVKJ-WDEREUQCSA-N 1 0 349.395 -1.265 20 0 EAADRO O=C(c1cc2n(n1)CCO2)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129895728 786885616 /nfs/dbraw/zinc/88/56/16/786885616.db2.gz IHIFYVNQBREFSQ-OLZOCXBDSA-N 1 0 347.379 -1.095 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)c1cnc2n1CCOC2 ZINC001129897399 786885742 /nfs/dbraw/zinc/88/57/42/786885742.db2.gz BXRXAIQFPKRSGG-GFCCVEGCSA-N 1 0 334.380 -1.010 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)c1cnc2n1CCOC2 ZINC001129897400 786886760 /nfs/dbraw/zinc/88/67/60/786886760.db2.gz BXRXAIQFPKRSGG-LBPRGKRZSA-N 1 0 334.380 -1.010 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)c1cnc2n1CCOC2 ZINC001129897469 786886545 /nfs/dbraw/zinc/88/65/45/786886545.db2.gz GJVNODYLKWSLKB-UHFFFAOYSA-N 1 0 335.364 -1.118 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)N1CCNC(=O)C1 ZINC001129897576 786886100 /nfs/dbraw/zinc/88/61/00/786886100.db2.gz KEVUHRQAYVLCSC-GHMZBOCLSA-N 1 0 334.380 -1.823 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129897781 786886063 /nfs/dbraw/zinc/88/60/63/786886063.db2.gz HKSMNIKLVHCSFR-CRWXNKLISA-N 1 0 339.396 -1.194 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)cc1=O ZINC001129898072 786885020 /nfs/dbraw/zinc/88/50/20/786885020.db2.gz LUYKVWRVLPAUCS-OLZOCXBDSA-N 1 0 347.379 -1.591 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1n1ccnn1 ZINC001129898543 786886740 /nfs/dbraw/zinc/88/67/40/786886740.db2.gz WDXLXGMQRNYFLD-OLZOCXBDSA-N 1 0 347.379 -1.327 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@@H]1n1ccnn1 ZINC001129899584 786885328 /nfs/dbraw/zinc/88/53/28/786885328.db2.gz AAIGQHBZVISHMH-NEPJUHHUSA-N 1 0 346.395 -1.279 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129899604 786886227 /nfs/dbraw/zinc/88/62/27/786886227.db2.gz ATDSUMQMHZSQMY-ZJUUUORDSA-N 1 0 337.384 -2.123 20 0 EAADRO O=C([C@@H]1CCCNC1=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129899647 786885196 /nfs/dbraw/zinc/88/51/96/786885196.db2.gz DQSRMKYMQKTTQX-UPJWGTAASA-N 1 0 336.396 -1.472 20 0 EAADRO O=C([C@H]1CCCNC1=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129899648 786885890 /nfs/dbraw/zinc/88/58/90/786885890.db2.gz DQSRMKYMQKTTQX-XQQFMLRXSA-N 1 0 336.396 -1.472 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129899918 786886363 /nfs/dbraw/zinc/88/63/63/786886363.db2.gz RYYJBDOGHMWKRX-UPJWGTAASA-N 1 0 336.396 -1.208 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129899919 786885153 /nfs/dbraw/zinc/88/51/53/786885153.db2.gz RYYJBDOGHMWKRX-XQQFMLRXSA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129899922 786885823 /nfs/dbraw/zinc/88/58/23/786885823.db2.gz SFWDYWWUWNXIJZ-TUAOUCFPSA-N 1 0 349.395 -2.108 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129899923 786885492 /nfs/dbraw/zinc/88/54/92/786885492.db2.gz SFWDYWWUWNXIJZ-UTUOFQBUSA-N 1 0 349.395 -2.108 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@@H]1n1ccnn1 ZINC001129900009 786885350 /nfs/dbraw/zinc/88/53/50/786885350.db2.gz WTKOHLUAMWYLOR-ZJUUUORDSA-N 1 0 348.367 -1.583 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cnn2c1CCCC2 ZINC001129901024 786885956 /nfs/dbraw/zinc/88/59/56/786885956.db2.gz PISWSVKOJFACER-UHFFFAOYSA-N 1 0 336.396 -1.077 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n(C)c1=O ZINC001129901514 786884947 /nfs/dbraw/zinc/88/49/47/786884947.db2.gz YPTMLFGHFVONTG-VXGBXAGGSA-N 1 0 346.391 -1.183 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC(OC)C2)C[C@@H]1n1ccnn1 ZINC001129902292 786885084 /nfs/dbraw/zinc/88/50/84/786885084.db2.gz CPTVZYIWWILELD-TUUUFIMRSA-N 1 0 336.396 -1.209 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129902364 786885418 /nfs/dbraw/zinc/88/54/18/786885418.db2.gz HGNPRGLUQFLKRC-UTUOFQBUSA-N 1 0 349.395 -1.966 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001129902617 786885792 /nfs/dbraw/zinc/88/57/92/786885792.db2.gz VJGAKZWWYWTQNX-MNOVXSKESA-N 1 0 346.351 -1.825 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129902632 786885239 /nfs/dbraw/zinc/88/52/39/786885239.db2.gz VYFCMYAKRHBMNJ-UPJWGTAASA-N 1 0 336.396 -1.065 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129904929 786884085 /nfs/dbraw/zinc/88/40/85/786884085.db2.gz NWFHBWOJKKPIBD-NEPJUHHUSA-N 1 0 333.352 -1.189 20 0 EAADRO Cn1ccnc1COCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129905004 786883021 /nfs/dbraw/zinc/88/30/21/786883021.db2.gz PGJFLHUITJUOBK-OLZOCXBDSA-N 1 0 349.395 -1.438 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001129905064 786884577 /nfs/dbraw/zinc/88/45/77/786884577.db2.gz QLFJKDDMHOJXEZ-MNOVXSKESA-N 1 0 346.351 -1.825 20 0 EAADRO O=C([C@H]1CCCC(=O)N1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129905374 786883792 /nfs/dbraw/zinc/88/37/92/786883792.db2.gz WIUHVZUNRDCSKJ-UPJWGTAASA-N 1 0 336.396 -1.329 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnc2n1CCOC2)N1CCOCC1 ZINC001129906373 786884026 /nfs/dbraw/zinc/88/40/26/786884026.db2.gz FAKLFYLQUSEQSI-UHFFFAOYSA-N 1 0 337.380 -1.409 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129906572 786882955 /nfs/dbraw/zinc/88/29/55/786882955.db2.gz PFBZHKBJVDKYNA-UHFFFAOYSA-N 1 0 339.396 -1.115 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129906605 786883104 /nfs/dbraw/zinc/88/31/04/786883104.db2.gz QJBVDBJBDCWRCY-UHFFFAOYSA-N 1 0 338.368 -1.422 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129907187 786883057 /nfs/dbraw/zinc/88/30/57/786883057.db2.gz WGSGWXLGEMZXAU-NEPJUHHUSA-N 1 0 333.352 -1.189 20 0 EAADRO Cn1nccc1COCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129907259 786883736 /nfs/dbraw/zinc/88/37/36/786883736.db2.gz ZBSJXSDAMVSNPC-KGLIPLIRSA-N 1 0 349.395 -1.438 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910428 786882704 /nfs/dbraw/zinc/88/27/04/786882704.db2.gz SLNWUYRLGQFJSL-MCIONIFRSA-N 1 0 349.439 -1.150 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910429 786883467 /nfs/dbraw/zinc/88/34/67/786883467.db2.gz SLNWUYRLGQFJSL-RDBSUJKOSA-N 1 0 349.439 -1.150 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cncn2)cc1 ZINC001129910639 786883202 /nfs/dbraw/zinc/88/32/02/786883202.db2.gz COHRBTLTEXHBDE-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001129910780 786883644 /nfs/dbraw/zinc/88/36/44/786883644.db2.gz JRMCBHNXINUCMY-UHFFFAOYSA-N 1 0 335.320 -1.468 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)NC(N)=O ZINC001129910929 786883400 /nfs/dbraw/zinc/88/34/00/786883400.db2.gz RVRWCBJPUQWURU-MRVPVSSYSA-N 1 0 349.347 -1.080 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)NC(N)=O ZINC001129910930 786882911 /nfs/dbraw/zinc/88/29/11/786882911.db2.gz RVRWCBJPUQWURU-QMMMGPOBSA-N 1 0 349.347 -1.080 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001129911108 786884340 /nfs/dbraw/zinc/88/43/40/786884340.db2.gz ZFRVXJNHWIZCPD-UHFFFAOYSA-N 1 0 349.347 -1.208 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129912360 786883720 /nfs/dbraw/zinc/88/37/20/786883720.db2.gz APUAQXGXSSKWAF-TUAOUCFPSA-N 1 0 345.425 -1.565 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129912361 786883969 /nfs/dbraw/zinc/88/39/69/786883969.db2.gz APUAQXGXSSKWAF-UTUOFQBUSA-N 1 0 345.425 -1.565 20 0 EAADRO CS(=O)(=O)CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129912517 786884438 /nfs/dbraw/zinc/88/44/38/786884438.db2.gz LPCSIUPECAUPGJ-NEPJUHHUSA-N 1 0 345.425 -1.563 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129912643 786882872 /nfs/dbraw/zinc/88/28/72/786882872.db2.gz SWJPNDYWEWTUGK-NEPJUHHUSA-N 1 0 345.425 -1.299 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COc1cc(C)on1 ZINC001129912830 786884267 /nfs/dbraw/zinc/88/42/67/786884267.db2.gz CVXICJYVCYEGIA-UHFFFAOYSA-N 1 0 327.341 -1.087 20 0 EAADRO Cc1cc(OCC(=O)NCC[NH2+]CC(=O)N2CCOCC2)no1 ZINC001129912853 786883352 /nfs/dbraw/zinc/88/33/52/786883352.db2.gz DXKKQQUEMRVRHV-UHFFFAOYSA-N 1 0 326.353 -1.074 20 0 EAADRO Cc1cc(OCC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)no1 ZINC001129912939 786884282 /nfs/dbraw/zinc/88/42/82/786884282.db2.gz JERLXYBURUEWNE-UHFFFAOYSA-N 1 0 339.352 -1.974 20 0 EAADRO Cc1cc(OCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)no1 ZINC001129913067 786884364 /nfs/dbraw/zinc/88/43/64/786884364.db2.gz OFYWZTJPNCFFGZ-UHFFFAOYSA-N 1 0 334.398 -1.041 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129914879 786883848 /nfs/dbraw/zinc/88/38/48/786883848.db2.gz LLHPQHHDFKDNRK-NEPJUHHUSA-N 1 0 337.384 -2.108 20 0 EAADRO CS(=O)(=O)CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129914921 786884194 /nfs/dbraw/zinc/88/41/94/786884194.db2.gz NLCXIISBJPOZNU-MNOVXSKESA-N 1 0 331.398 -1.953 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@@H]1n1ccnn1 ZINC001129914963 786884255 /nfs/dbraw/zinc/88/42/55/786884255.db2.gz PNWVZBMVWKICCL-NEPJUHHUSA-N 1 0 345.425 -1.299 20 0 EAADRO Cc1cc(OCC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)no1 ZINC001129915183 786883688 /nfs/dbraw/zinc/88/36/88/786883688.db2.gz DEJVEUCVVGEGAK-UHFFFAOYSA-N 1 0 325.325 -1.381 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COc1cc(C)on1 ZINC001129915669 786882763 /nfs/dbraw/zinc/88/27/63/786882763.db2.gz PAWQISITNWSTCE-SECBINFHSA-N 1 0 327.341 -1.088 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COc1cc(C)on1 ZINC001129915670 786886252 /nfs/dbraw/zinc/88/62/52/786886252.db2.gz PAWQISITNWSTCE-VIFPVBQESA-N 1 0 327.341 -1.088 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)S(C)(=O)=O ZINC001129916878 786884875 /nfs/dbraw/zinc/88/48/75/786884875.db2.gz GQIZQIVAEKMFJN-TUAOUCFPSA-N 1 0 345.425 -1.565 20 0 EAADRO C[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)S(C)(=O)=O ZINC001129916889 786886461 /nfs/dbraw/zinc/88/64/61/786886461.db2.gz GQIZQIVAEKMFJN-UTUOFQBUSA-N 1 0 345.425 -1.565 20 0 EAADRO CCOCC1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129916894 786886693 /nfs/dbraw/zinc/88/66/93/786886693.db2.gz GYINRBFIIBLRQA-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129917190 786886802 /nfs/dbraw/zinc/88/68/02/786886802.db2.gz NWVRDBQJHCOWPF-TUAOUCFPSA-N 1 0 345.425 -1.301 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129917191 786885276 /nfs/dbraw/zinc/88/52/76/786885276.db2.gz NWVRDBQJHCOWPF-UTUOFQBUSA-N 1 0 345.425 -1.301 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129918823 786886206 /nfs/dbraw/zinc/88/62/06/786886206.db2.gz KLTCVZYGXSECEM-UPJWGTAASA-N 1 0 336.396 -1.208 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129918824 786888646 /nfs/dbraw/zinc/88/86/46/786888646.db2.gz KLTCVZYGXSECEM-XQQFMLRXSA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129918911 786887286 /nfs/dbraw/zinc/88/72/86/786887286.db2.gz LUNRNMYGKDIHRJ-TUAOUCFPSA-N 1 0 349.395 -2.108 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129918912 786888724 /nfs/dbraw/zinc/88/87/24/786888724.db2.gz LUNRNMYGKDIHRJ-UTUOFQBUSA-N 1 0 349.395 -2.108 20 0 EAADRO O=C([C@@H]1CCC(=O)NC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129919003 786887187 /nfs/dbraw/zinc/88/71/87/786887187.db2.gz OFJSAVHILGSTJK-UPJWGTAASA-N 1 0 336.396 -1.472 20 0 EAADRO O=C([C@H]1CCC(=O)NC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129919004 786888855 /nfs/dbraw/zinc/88/88/55/786888855.db2.gz OFJSAVHILGSTJK-XQQFMLRXSA-N 1 0 336.396 -1.472 20 0 EAADRO CCc1n[nH]cc1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129919196 786888400 /nfs/dbraw/zinc/88/84/00/786888400.db2.gz QCFIOWNWAKSIDI-OLZOCXBDSA-N 1 0 346.395 -1.035 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CCNC(=O)c1ccsc1 ZINC001129920768 786888920 /nfs/dbraw/zinc/88/89/20/786888920.db2.gz XHAJKRGGWNTOKY-UHFFFAOYSA-N 1 0 341.393 -1.231 20 0 EAADRO O=C(NCC(F)F)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129920931 786888596 /nfs/dbraw/zinc/88/85/96/786888596.db2.gz GMYOWTLZMKCIAH-ZJUUUORDSA-N 1 0 346.338 -1.617 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1)NC1CC1 ZINC001129921012 786888891 /nfs/dbraw/zinc/88/88/91/786888891.db2.gz KSAAKXHKESUKQV-NEPJUHHUSA-N 1 0 345.367 -1.670 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921050 786887895 /nfs/dbraw/zinc/88/78/95/786887895.db2.gz MENGMOSCNZCXBS-MNOVXSKESA-N 1 0 333.356 -1.860 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129921067 786888573 /nfs/dbraw/zinc/88/85/73/786888573.db2.gz NTUSXUUTWZLXRV-AEJSXWLSSA-N 1 0 346.338 -1.618 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129921068 786888122 /nfs/dbraw/zinc/88/81/22/786888122.db2.gz NTUSXUUTWZLXRV-BBBLOLIVSA-N 1 0 346.338 -1.618 20 0 EAADRO O=C(NCC(F)F)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129921069 786888356 /nfs/dbraw/zinc/88/83/56/786888356.db2.gz NWBDLKYUMPNHGO-BDAKNGLRSA-N 1 0 332.311 -2.007 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921089 786888764 /nfs/dbraw/zinc/88/87/64/786888764.db2.gz OULSHVONFCOWDE-NEPJUHHUSA-N 1 0 347.383 -1.470 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921102 786887307 /nfs/dbraw/zinc/88/73/07/786887307.db2.gz PLRWWVBECMHDKY-NEPJUHHUSA-N 1 0 347.383 -1.424 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921169 786886994 /nfs/dbraw/zinc/88/69/94/786886994.db2.gz TWBWWBVABGZFKD-NEPJUHHUSA-N 1 0 347.383 -1.422 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921171 786887822 /nfs/dbraw/zinc/88/78/22/786887822.db2.gz TXDDDFDZJVNFDX-JLLWLGSASA-N 1 0 336.356 -1.941 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921172 786887206 /nfs/dbraw/zinc/88/72/06/786887206.db2.gz TXDDDFDZJVNFDX-WCQGTBRESA-N 1 0 336.356 -1.941 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921195 786887490 /nfs/dbraw/zinc/88/74/90/786887490.db2.gz VCWLDCUSSOSHGG-MNOVXSKESA-N 1 0 333.356 -1.812 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129921209 786888337 /nfs/dbraw/zinc/88/83/37/786888337.db2.gz VQNRQEQZCWLSJR-ZJUUUORDSA-N 1 0 346.338 -1.353 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129921285 786888022 /nfs/dbraw/zinc/88/80/22/786888022.db2.gz ZPJOMOMNECIODY-BDAKNGLRSA-N 1 0 348.327 -2.754 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@@H]1n1ccnn1 ZINC001129923458 786887327 /nfs/dbraw/zinc/88/73/27/786887327.db2.gz DBQCQUANTZWWOA-OLZOCXBDSA-N 1 0 344.379 -1.222 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129923462 786887727 /nfs/dbraw/zinc/88/77/27/786887727.db2.gz DGCGGPVTNHNIQE-GDPRMGEGSA-N 1 0 333.356 -1.814 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129923463 786888826 /nfs/dbraw/zinc/88/88/26/786888826.db2.gz DGCGGPVTNHNIQE-IEBDPFPHSA-N 1 0 333.356 -1.814 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129923502 786888445 /nfs/dbraw/zinc/88/84/45/786888445.db2.gz GBMZIEHVYGCZPY-JLLWLGSASA-N 1 0 347.383 -1.472 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129923503 786887638 /nfs/dbraw/zinc/88/76/38/786887638.db2.gz GBMZIEHVYGCZPY-WCQGTBRESA-N 1 0 347.383 -1.472 20 0 EAADRO O=C(c1cn[nH]n1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129923802 786888487 /nfs/dbraw/zinc/88/84/87/786888487.db2.gz XMPHVLQDZMYULC-NEPJUHHUSA-N 1 0 336.356 -1.940 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129923916 786887407 /nfs/dbraw/zinc/88/74/07/786887407.db2.gz CQDGMBIUSGLPSU-UHFFFAOYSA-N 1 0 343.428 -1.765 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001129923993 786888547 /nfs/dbraw/zinc/88/85/47/786888547.db2.gz HNKLDEUZXIRFFL-UHFFFAOYSA-N 1 0 349.391 -1.059 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001129923999 786888693 /nfs/dbraw/zinc/88/86/93/786888693.db2.gz HRJXAXKRWDLEDA-UHFFFAOYSA-N 1 0 341.412 -1.028 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129924615 786887235 /nfs/dbraw/zinc/88/72/35/786887235.db2.gz CFCHJAHUUCKGJK-YPMHNXCESA-N 1 0 346.395 -1.245 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129924625 786888165 /nfs/dbraw/zinc/88/81/65/786888165.db2.gz CMNUPFNVSNLFOY-LOWVWBTDSA-N 1 0 346.395 -1.199 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129924626 786887137 /nfs/dbraw/zinc/88/71/37/786887137.db2.gz CMNUPFNVSNLFOY-WZRBSPASSA-N 1 0 346.395 -1.199 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129924747 786888257 /nfs/dbraw/zinc/88/82/57/786888257.db2.gz IIJHGTXNMHEKEE-YPMHNXCESA-N 1 0 346.395 -1.197 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129924765 786887060 /nfs/dbraw/zinc/88/70/60/786887060.db2.gz IUUDPBPIMWRTBG-BZPMIXESSA-N 1 0 349.395 -1.326 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129924767 786887994 /nfs/dbraw/zinc/88/79/94/786887994.db2.gz IUUDPBPIMWRTBG-SCRDCRAPSA-N 1 0 349.395 -1.326 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129924919 786887679 /nfs/dbraw/zinc/88/76/79/786887679.db2.gz NKEVVSGWNODDHB-PWSUYJOCSA-N 1 0 332.368 -1.587 20 0 EAADRO Cn1cncc1C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129925267 786887967 /nfs/dbraw/zinc/88/79/67/786887967.db2.gz XFHMSPUHAXDYPX-OCCSQVGLSA-N 1 0 349.395 -1.324 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129926599 786888277 /nfs/dbraw/zinc/88/82/77/786888277.db2.gz BBOFBMDAYYUPLA-UHFFFAOYSA-N 1 0 329.401 -1.172 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001129926816 786886961 /nfs/dbraw/zinc/88/69/61/786886961.db2.gz HCAOJVLMSXTKQM-GFCCVEGCSA-N 1 0 340.424 -1.159 20 0 EAADRO NC(=O)NCCCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129926817 786887360 /nfs/dbraw/zinc/88/73/60/786887360.db2.gz FPCKBJIVJIEDQO-NEPJUHHUSA-N 1 0 339.400 -1.550 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001129926818 786887691 /nfs/dbraw/zinc/88/76/91/786887691.db2.gz HCAOJVLMSXTKQM-LBPRGKRZSA-N 1 0 340.424 -1.159 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129926983 786887653 /nfs/dbraw/zinc/88/76/53/786887653.db2.gz JLPOWTITIWAAOQ-UHFFFAOYSA-N 1 0 338.412 -1.404 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C2=O)cn1 ZINC001129927014 786888709 /nfs/dbraw/zinc/88/87/09/786888709.db2.gz KENZQYFYNIMUGS-LLVKDONJSA-N 1 0 336.396 -1.257 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C2=O)cn1 ZINC001129927015 786888672 /nfs/dbraw/zinc/88/86/72/786888672.db2.gz KENZQYFYNIMUGS-NSHDSACASA-N 1 0 336.396 -1.257 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C2=O)n1 ZINC001129927064 786887260 /nfs/dbraw/zinc/88/72/60/786887260.db2.gz LDYDIEBRRZPFFD-JTQLQIEISA-N 1 0 336.396 -1.257 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C2=O)n1 ZINC001129927066 786888323 /nfs/dbraw/zinc/88/83/23/786888323.db2.gz LDYDIEBRRZPFFD-SNVBAGLBSA-N 1 0 336.396 -1.257 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001129927107 786888151 /nfs/dbraw/zinc/88/81/51/786888151.db2.gz MBMHFXWYCQEKHB-JTQLQIEISA-N 1 0 334.442 -1.515 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001129927109 786888009 /nfs/dbraw/zinc/88/80/09/786888009.db2.gz MBMHFXWYCQEKHB-SNVBAGLBSA-N 1 0 334.442 -1.515 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129927520 786887845 /nfs/dbraw/zinc/88/78/45/786887845.db2.gz SIYQHQLKWRXFAJ-UHFFFAOYSA-N 1 0 337.442 -1.345 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001129927545 786888533 /nfs/dbraw/zinc/88/85/33/786888533.db2.gz UBFDBBAKJPTSQV-SECBINFHSA-N 1 0 328.369 -2.286 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001129927546 786888809 /nfs/dbraw/zinc/88/88/09/786888809.db2.gz UBFDBBAKJPTSQV-VIFPVBQESA-N 1 0 328.369 -2.286 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001129927577 786887930 /nfs/dbraw/zinc/88/79/30/786887930.db2.gz VHCMRFAXZKTPKX-UHFFFAOYSA-N 1 0 341.412 -2.072 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129927648 786888971 /nfs/dbraw/zinc/88/89/71/786888971.db2.gz XVVWTBKPKHZMSD-UHFFFAOYSA-N 1 0 329.401 -1.315 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@@H]1n1ccnn1 ZINC001129931835 786886508 /nfs/dbraw/zinc/88/65/08/786886508.db2.gz BQZLNBMSOIOFII-OLZOCXBDSA-N 1 0 346.395 -1.429 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1 ZINC001129932434 786886435 /nfs/dbraw/zinc/88/64/35/786886435.db2.gz XXZDNQUOTBLVLN-OLZOCXBDSA-N 1 0 347.379 -1.014 20 0 EAADRO COCC1(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129933962 786885751 /nfs/dbraw/zinc/88/57/51/786885751.db2.gz IHFHLNHLDRGFJX-UPJWGTAASA-N 1 0 348.407 -1.065 20 0 EAADRO COCC1(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129933963 786886558 /nfs/dbraw/zinc/88/65/58/786886558.db2.gz IHFHLNHLDRGFJX-XQQFMLRXSA-N 1 0 348.407 -1.065 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(COC)CC2)C[C@@H]1n1ccnn1 ZINC001129934268 786885855 /nfs/dbraw/zinc/88/58/55/786885855.db2.gz XEGBVHZYNKGYNI-NEPJUHHUSA-N 1 0 336.396 -1.208 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)NC[C@H]1CCCO1 ZINC001129935017 786885060 /nfs/dbraw/zinc/88/50/60/786885060.db2.gz DPDQMIJOJVCXGU-GHMZBOCLSA-N 1 0 328.413 -1.113 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)NC[C@@H]1CCCO1 ZINC001129935018 786884806 /nfs/dbraw/zinc/88/48/06/786884806.db2.gz DPDQMIJOJVCXGU-MNOVXSKESA-N 1 0 328.413 -1.113 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)NC[C@@H]1CCCO1 ZINC001129935019 786885900 /nfs/dbraw/zinc/88/59/00/786885900.db2.gz DPDQMIJOJVCXGU-QWRGUYRKSA-N 1 0 328.413 -1.113 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)NC[C@H]1CCCO1 ZINC001129935020 786886683 /nfs/dbraw/zinc/88/66/83/786886683.db2.gz DPDQMIJOJVCXGU-WDEREUQCSA-N 1 0 328.413 -1.113 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001129935025 786885510 /nfs/dbraw/zinc/88/55/10/786885510.db2.gz DVXDJHQYTWVDSI-UHFFFAOYSA-N 1 0 341.412 -2.058 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001129935207 786886043 /nfs/dbraw/zinc/88/60/43/786886043.db2.gz HGGWMDCBFFHZKH-UHFFFAOYSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001129935222 786886651 /nfs/dbraw/zinc/88/66/51/786886651.db2.gz HNIUQNXXCQARHP-UHFFFAOYSA-N 1 0 341.412 -1.076 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)C(C)(C)C(N)=O)cc(=O)n(C)c1=O ZINC001129935255 786885397 /nfs/dbraw/zinc/88/53/97/786885397.db2.gz HWARDEORTUAIIC-UHFFFAOYSA-N 1 0 325.369 -2.199 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O)C[C@@H](C)O1 ZINC001129935259 786885298 /nfs/dbraw/zinc/88/52/98/786885298.db2.gz IAXRPUSKPHMZPO-GHMZBOCLSA-N 1 0 328.413 -1.161 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O)C[C@H](C)O1 ZINC001129935261 786885175 /nfs/dbraw/zinc/88/51/75/786885175.db2.gz IAXRPUSKPHMZPO-PHIMTYICSA-N 1 0 328.413 -1.161 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O)C[C@H](C)O1 ZINC001129935262 786886831 /nfs/dbraw/zinc/88/68/31/786886831.db2.gz IAXRPUSKPHMZPO-QWRGUYRKSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O)CC1 ZINC001129935385 786886078 /nfs/dbraw/zinc/88/60/78/786886078.db2.gz KGHVOJQICHJVIR-UHFFFAOYSA-N 1 0 341.412 -2.106 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129935412 786885440 /nfs/dbraw/zinc/88/54/40/786885440.db2.gz LBRCAQALWXXJID-UHFFFAOYSA-N 1 0 343.428 -1.812 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129935461 786886725 /nfs/dbraw/zinc/88/67/25/786886725.db2.gz MIURFXXHMBBHGS-UHFFFAOYSA-N 1 0 329.401 -1.170 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129935466 786885676 /nfs/dbraw/zinc/88/56/76/786885676.db2.gz MMJSTDQOJHRGHO-SECBINFHSA-N 1 0 345.400 -1.936 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129935467 786886388 /nfs/dbraw/zinc/88/63/88/786886388.db2.gz MMJSTDQOJHRGHO-VIFPVBQESA-N 1 0 345.400 -1.936 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)NC(=O)NC1CC1 ZINC001129935678 786885593 /nfs/dbraw/zinc/88/55/93/786885593.db2.gz OMQQOFMOODZXRB-MRVPVSSYSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)NC(=O)NC1CC1 ZINC001129935682 786884782 /nfs/dbraw/zinc/88/47/82/786884782.db2.gz OMQQOFMOODZXRB-QMMMGPOBSA-N 1 0 327.385 -1.420 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001129935726 786884918 /nfs/dbraw/zinc/88/49/18/786884918.db2.gz QDORONYVKWJQJZ-JTQLQIEISA-N 1 0 341.412 -2.072 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001129935727 786885565 /nfs/dbraw/zinc/88/55/65/786885565.db2.gz QDORONYVKWJQJZ-SNVBAGLBSA-N 1 0 341.412 -2.072 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001129935941 786886349 /nfs/dbraw/zinc/88/63/49/786886349.db2.gz SBQXJWJQBKSPNV-LLVKDONJSA-N 1 0 331.413 -1.240 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001129935942 786885224 /nfs/dbraw/zinc/88/52/24/786885224.db2.gz SBQXJWJQBKSPNV-NSHDSACASA-N 1 0 331.413 -1.240 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001129935966 786885773 /nfs/dbraw/zinc/88/57/73/786885773.db2.gz SRNGDPUBGQIOJY-NEPJUHHUSA-N 1 0 331.413 -1.240 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001129935967 786885266 /nfs/dbraw/zinc/88/52/66/786885266.db2.gz SRNGDPUBGQIOJY-NWDGAFQWSA-N 1 0 331.413 -1.240 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001129935968 786886323 /nfs/dbraw/zinc/88/63/23/786886323.db2.gz SRNGDPUBGQIOJY-RYUDHWBXSA-N 1 0 331.413 -1.240 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001129935970 786885844 /nfs/dbraw/zinc/88/58/44/786885844.db2.gz SRNGDPUBGQIOJY-VXGBXAGGSA-N 1 0 331.413 -1.240 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)N(C)C ZINC001129935981 786885106 /nfs/dbraw/zinc/88/51/06/786885106.db2.gz TXHABIKCYMLKOU-SECBINFHSA-N 1 0 329.401 -2.203 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O)C(=O)N(C)C ZINC001129935985 786885872 /nfs/dbraw/zinc/88/58/72/786885872.db2.gz TXHABIKCYMLKOU-VIFPVBQESA-N 1 0 329.401 -2.203 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129936071 786886278 /nfs/dbraw/zinc/88/62/78/786886278.db2.gz WCGKKJBWHKJMFA-SECBINFHSA-N 1 0 329.401 -1.174 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129936077 786886152 /nfs/dbraw/zinc/88/61/52/786886152.db2.gz WCGKKJBWHKJMFA-VIFPVBQESA-N 1 0 329.401 -1.174 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001129936507 786884998 /nfs/dbraw/zinc/88/49/98/786884998.db2.gz BJAQVYJQWNLGQV-YPMHNXCESA-N 1 0 347.379 -1.327 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)ncc1=O ZINC001129936519 786886623 /nfs/dbraw/zinc/88/66/23/786886623.db2.gz BVMOYNNHCHACMC-YPMHNXCESA-N 1 0 347.379 -1.591 20 0 EAADRO COCC1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC1 ZINC001129937636 786885655 /nfs/dbraw/zinc/88/56/55/786885655.db2.gz CDYKIQYKQXBQMQ-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)nn1 ZINC001129939666 786885706 /nfs/dbraw/zinc/88/57/06/786885706.db2.gz RBJGTPLMYGIXIF-KGLIPLIRSA-N 1 0 348.411 -1.144 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CNC(=O)C1 ZINC001129940945 786886716 /nfs/dbraw/zinc/88/67/16/786886716.db2.gz BMEKBPSQZRCRNK-TYNCELHUSA-N 1 0 336.396 -1.472 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CNC(=O)C1 ZINC001129940946 786886336 /nfs/dbraw/zinc/88/63/36/786886336.db2.gz BMEKBPSQZRCRNK-XUJVJEKNSA-N 1 0 336.396 -1.472 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129941134 786885935 /nfs/dbraw/zinc/88/59/35/786885935.db2.gz LEOMQIDFWBOAMU-TYNCELHUSA-N 1 0 336.396 -1.208 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129941135 786886777 /nfs/dbraw/zinc/88/67/77/786886777.db2.gz LEOMQIDFWBOAMU-XUJVJEKNSA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129941265 786885129 /nfs/dbraw/zinc/88/51/29/786885129.db2.gz RIRWLWBPUVFVBV-JRPNMDOOSA-N 1 0 349.395 -2.108 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129941266 786886669 /nfs/dbraw/zinc/88/66/69/786886669.db2.gz RIRWLWBPUVFVBV-ZETOZRRWSA-N 1 0 349.395 -2.108 20 0 EAADRO COCC1(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129943326 786892800 /nfs/dbraw/zinc/89/28/00/786892800.db2.gz XCRROKDUUFBZIL-TUAOUCFPSA-N 1 0 336.396 -1.080 20 0 EAADRO COCC1(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129943328 786892507 /nfs/dbraw/zinc/89/25/07/786892507.db2.gz XCRROKDUUFBZIL-UTUOFQBUSA-N 1 0 336.396 -1.080 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2coc(OC)n2)C[C@@H]1n1ccnn1 ZINC001129945549 786892578 /nfs/dbraw/zinc/89/25/78/786892578.db2.gz QFPFJIUFWNDBSE-KOLCDFICSA-N 1 0 349.351 -1.324 20 0 EAADRO COC[C@@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCOC1 ZINC001129945608 786891604 /nfs/dbraw/zinc/89/16/04/786891604.db2.gz SMBDPPZGPRZQHD-IPYPFGDCSA-N 1 0 339.396 -1.335 20 0 EAADRO COC[C@]1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCOC1 ZINC001129945609 786891839 /nfs/dbraw/zinc/89/18/39/786891839.db2.gz SMBDPPZGPRZQHD-VNHYZAJKSA-N 1 0 339.396 -1.335 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001129947453 786891724 /nfs/dbraw/zinc/89/17/24/786891724.db2.gz ADBZDFAQSUZOMX-MNOVXSKESA-N 1 0 345.429 -1.918 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@@H]1n1ccnn1 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20 0 EAADRO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)[C@H]1CCCNC1=O ZINC001129954100 786890054 /nfs/dbraw/zinc/89/00/54/786890054.db2.gz YOWKOQFJNAEQSV-NSHDSACASA-N 1 0 332.426 -1.746 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O)Nc1nncs1 ZINC001129954125 786890702 /nfs/dbraw/zinc/89/07/02/786890702.db2.gz ZDKXCFHOWYTEDC-MRVPVSSYSA-N 1 0 326.382 -1.291 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCCNC1=O)Nc1nncs1 ZINC001129954126 786889178 /nfs/dbraw/zinc/88/91/78/786889178.db2.gz ZDKXCFHOWYTEDC-QMMMGPOBSA-N 1 0 326.382 -1.291 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129954149 786890419 /nfs/dbraw/zinc/89/04/19/786890419.db2.gz ZVVUDFOCIBVLPE-LLVKDONJSA-N 1 0 334.442 -1.452 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129954150 786890284 /nfs/dbraw/zinc/89/02/84/786890284.db2.gz ZVVUDFOCIBVLPE-NSHDSACASA-N 1 0 334.442 -1.452 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1n1ccnn1 ZINC001129954316 786889653 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786890160 /nfs/dbraw/zinc/89/01/60/786890160.db2.gz MXTSNUNQJJKCDH-RYUDHWBXSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCCNC2=O)CCO1 ZINC001129957452 786892604 /nfs/dbraw/zinc/89/26/04/786892604.db2.gz MXTSNUNQJJKCDH-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129957543 786891375 /nfs/dbraw/zinc/89/13/75/786891375.db2.gz OZEUIVOTKICKAE-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129957544 786892154 /nfs/dbraw/zinc/89/21/54/786892154.db2.gz OZEUIVOTKICKAE-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2CCCNC2=O)cc(=O)n(C)c1=O ZINC001129958103 786892869 /nfs/dbraw/zinc/89/28/69/786892869.db2.gz XTVZATYWSJRQSR-LLVKDONJSA-N 1 0 337.380 -2.184 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@H]2CCCNC2=O)cc(=O)n(C)c1=O ZINC001129958104 786892305 /nfs/dbraw/zinc/89/23/05/786892305.db2.gz XTVZATYWSJRQSR-NSHDSACASA-N 1 0 337.380 -2.184 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129958113 786891644 /nfs/dbraw/zinc/89/16/44/786891644.db2.gz YASBHYZVWBLUPT-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129958114 786892009 /nfs/dbraw/zinc/89/20/09/786892009.db2.gz YASBHYZVWBLUPT-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129958133 786891786 /nfs/dbraw/zinc/89/17/86/786891786.db2.gz YOWXLMBANJANOR-LLVKDONJSA-N 1 0 341.412 -1.156 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129958134 786891169 /nfs/dbraw/zinc/89/11/69/786891169.db2.gz YOWXLMBANJANOR-NSHDSACASA-N 1 0 341.412 -1.156 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129958163 786891941 /nfs/dbraw/zinc/89/19/41/786891941.db2.gz YXLIPAUJPPXXFS-LLVKDONJSA-N 1 0 341.412 -1.300 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129958164 786891623 /nfs/dbraw/zinc/89/16/23/786891623.db2.gz YXLIPAUJPPXXFS-NSHDSACASA-N 1 0 341.412 -1.300 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O)C(=O)N(C)C ZINC001129959592 786892824 /nfs/dbraw/zinc/89/28/24/786892824.db2.gz FBVVUMASINBFCE-GHMZBOCLSA-N 1 0 341.412 -2.189 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O)C(=O)N(C)C ZINC001129959593 786891213 /nfs/dbraw/zinc/89/12/13/786891213.db2.gz FBVVUMASINBFCE-MNOVXSKESA-N 1 0 341.412 -2.189 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O)C(=O)N(C)C ZINC001129959594 786891518 /nfs/dbraw/zinc/89/15/18/786891518.db2.gz FBVVUMASINBFCE-QWRGUYRKSA-N 1 0 341.412 -2.189 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O)C(=O)N(C)C ZINC001129959595 786891965 /nfs/dbraw/zinc/89/19/65/786891965.db2.gz FBVVUMASINBFCE-WDEREUQCSA-N 1 0 341.412 -2.189 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129959764 786892292 /nfs/dbraw/zinc/89/22/92/786892292.db2.gz MFYIWFQJGFTJGA-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001129959765 786891715 /nfs/dbraw/zinc/89/17/15/786891715.db2.gz MFYIWFQJGFTJGA-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961180 786891580 /nfs/dbraw/zinc/89/15/80/786891580.db2.gz BVLNMVDHEGCOBA-NEPJUHHUSA-N 1 0 349.399 -1.118 20 0 EAADRO COCCCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961225 786892456 /nfs/dbraw/zinc/89/24/56/786892456.db2.gz DMFKWFGJNWJHGN-NEPJUHHUSA-N 1 0 349.399 -1.117 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961231 786891503 /nfs/dbraw/zinc/89/15/03/786891503.db2.gz DYTGJNZIVGGOQU-ZJUUUORDSA-N 1 0 348.371 -2.455 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961287 786892324 /nfs/dbraw/zinc/89/23/24/786892324.db2.gz HTCDMWBOHTVPJC-AXFHLTTASA-N 1 0 335.372 -1.508 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961288 786892335 /nfs/dbraw/zinc/89/23/35/786892335.db2.gz HTCDMWBOHTVPJC-MXWKQRLJSA-N 1 0 335.372 -1.508 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1)OC ZINC001129961300 786891296 /nfs/dbraw/zinc/89/12/96/786891296.db2.gz HXUHAAONTDCEQI-TUAOUCFPSA-N 1 0 349.399 -1.118 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1)OC ZINC001129961301 786891262 /nfs/dbraw/zinc/89/12/62/786891262.db2.gz HXUHAAONTDCEQI-UTUOFQBUSA-N 1 0 349.399 -1.118 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961350 786892779 /nfs/dbraw/zinc/89/27/79/786892779.db2.gz JSARBVBFKLYGDV-MNOVXSKESA-N 1 0 335.372 -1.507 20 0 EAADRO CCOCCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961363 786891245 /nfs/dbraw/zinc/89/12/45/786891245.db2.gz KISMWDNAKKFWSE-NEPJUHHUSA-N 1 0 349.399 -1.117 20 0 EAADRO C[C@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129961373 786891527 /nfs/dbraw/zinc/89/15/27/786891527.db2.gz KQNQXQREKCWUOW-MMWGEVLESA-N 1 0 335.368 -1.530 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129961432 786891273 /nfs/dbraw/zinc/89/12/73/786891273.db2.gz NFVNMLMOAIQHDS-YFKTTZPYSA-N 1 0 349.395 -1.269 20 0 EAADRO CC[C@H](F)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129961461 786891801 /nfs/dbraw/zinc/89/18/01/786891801.db2.gz ONPFGZGXXOIHNF-AEJSXWLSSA-N 1 0 341.347 -1.437 20 0 EAADRO CC[C@@H](F)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129961462 786891486 /nfs/dbraw/zinc/89/14/86/786891486.db2.gz ONPFGZGXXOIHNF-BBBLOLIVSA-N 1 0 341.347 -1.437 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961471 786892261 /nfs/dbraw/zinc/89/22/61/786892261.db2.gz OQGRCYUCRAADFU-BDAKNGLRSA-N 1 0 334.344 -2.797 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961567 786892439 /nfs/dbraw/zinc/89/24/39/786892439.db2.gz SLXCCAZVZINZCQ-MNOVXSKESA-N 1 0 335.372 -1.507 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961632 786891406 /nfs/dbraw/zinc/89/14/06/786891406.db2.gz VEKKVKRYEXOCNQ-AEJSXWLSSA-N 1 0 348.371 -2.409 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961633 786891891 /nfs/dbraw/zinc/89/18/91/786891891.db2.gz VEKKVKRYEXOCNQ-BBBLOLIVSA-N 1 0 348.371 -2.409 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961786 786891456 /nfs/dbraw/zinc/89/14/56/786891456.db2.gz XTVOTOJCEZRGMT-TUAOUCFPSA-N 1 0 349.399 -1.382 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129961787 786892645 /nfs/dbraw/zinc/89/26/45/786892645.db2.gz XTVOTOJCEZRGMT-UTUOFQBUSA-N 1 0 349.399 -1.382 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCF)C[C@@H]1n1ccnn1 ZINC001129961810 786891564 /nfs/dbraw/zinc/89/15/64/786891564.db2.gz YXWSZQSUXHSMLP-ZJUUUORDSA-N 1 0 341.347 -1.436 20 0 EAADRO Cc1ncn(C)c1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001129962815 786891986 /nfs/dbraw/zinc/89/19/86/786891986.db2.gz MLZHSGMFAMWZSG-LLVKDONJSA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1ncn(C)c1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001129962912 786892721 /nfs/dbraw/zinc/89/27/21/786892721.db2.gz MLZHSGMFAMWZSG-NSHDSACASA-N 1 0 337.380 -1.442 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129963726 786892206 /nfs/dbraw/zinc/89/22/06/786892206.db2.gz BUADTZGYOQODFS-ZJUUUORDSA-N 1 0 348.371 -2.407 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129963742 786892396 /nfs/dbraw/zinc/89/23/96/786892396.db2.gz CGNQZYGTHSJWBF-WOPDTQHZSA-N 1 0 349.395 -2.014 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@@H]1n1ccnn1 ZINC001129963793 786892100 /nfs/dbraw/zinc/89/21/00/786892100.db2.gz GGTWSZQFZSTPPX-UTUOFQBUSA-N 1 0 337.384 -1.710 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@@H]1n1ccnn1 ZINC001129963794 786892677 /nfs/dbraw/zinc/89/26/77/786892677.db2.gz GGTWSZQFZSTPPX-WOPDTQHZSA-N 1 0 337.384 -1.710 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129963820 786892365 /nfs/dbraw/zinc/89/23/65/786892365.db2.gz HCDFWIFHJXWTFU-AXFHLTTASA-N 1 0 335.372 -1.508 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001129963821 786892196 /nfs/dbraw/zinc/89/21/96/786892196.db2.gz HCDFWIFHJXWTFU-MXWKQRLJSA-N 1 0 335.372 -1.508 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129963950 786891543 /nfs/dbraw/zinc/89/15/43/786891543.db2.gz ODDSNICEXPSZAX-AGIUHOORSA-N 1 0 336.396 -1.113 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129963970 786892565 /nfs/dbraw/zinc/89/25/65/786892565.db2.gz OXRHSUMWNBYSNI-AGIUHOORSA-N 1 0 336.396 -1.377 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1n1ccnn1 ZINC001129964021 786892240 /nfs/dbraw/zinc/89/22/40/786892240.db2.gz SFPDYPPYVFZUGM-NEPJUHHUSA-N 1 0 346.395 -1.279 20 0 EAADRO CCCC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129964102 786891869 /nfs/dbraw/zinc/89/18/69/786891869.db2.gz XAUZPEWHQGMRHP-KGLIPLIRSA-N 1 0 349.439 -1.149 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)NC1=O ZINC001129964133 786891331 /nfs/dbraw/zinc/89/13/31/786891331.db2.gz YCGRSLXIBFSQCH-UTUOFQBUSA-N 1 0 337.384 -1.974 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)NC1=O ZINC001129964134 786892355 /nfs/dbraw/zinc/89/23/55/786892355.db2.gz YCGRSLXIBFSQCH-WOPDTQHZSA-N 1 0 337.384 -1.974 20 0 EAADRO Cc1ncn(C)c1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001129964887 786891818 /nfs/dbraw/zinc/89/18/18/786891818.db2.gz DVHPMYXENBSXKW-LLVKDONJSA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1ncn(C)c1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001129964888 786891309 /nfs/dbraw/zinc/89/13/09/786891309.db2.gz DVHPMYXENBSXKW-NSHDSACASA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1ncn(C)c1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001129965223 786892657 /nfs/dbraw/zinc/89/26/57/786892657.db2.gz UDYLALWAVSORQK-UHFFFAOYSA-N 1 0 334.380 -1.354 20 0 EAADRO O=C(Cc1cncs1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129969698 786892422 /nfs/dbraw/zinc/89/24/22/786892422.db2.gz GZBQSMLGXIGQJM-UHFFFAOYSA-N 1 0 325.394 -1.650 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129970195 786891919 /nfs/dbraw/zinc/89/19/19/786891919.db2.gz CRNDVPFTNQZENN-UPJWGTAASA-N 1 0 336.396 -1.256 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129970196 786891463 /nfs/dbraw/zinc/89/14/63/786891463.db2.gz CRNDVPFTNQZENN-XQQFMLRXSA-N 1 0 336.396 -1.256 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129970217 786892120 /nfs/dbraw/zinc/89/21/20/786892120.db2.gz DIPZGTBZCFDJER-TUAOUCFPSA-N 1 0 349.395 -2.156 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129970218 786892225 /nfs/dbraw/zinc/89/22/25/786892225.db2.gz DIPZGTBZCFDJER-UTUOFQBUSA-N 1 0 349.395 -2.156 20 0 EAADRO CN1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1=O ZINC001129970394 786891151 /nfs/dbraw/zinc/89/11/51/786891151.db2.gz MDWGRSDOUHWYHT-UPJWGTAASA-N 1 0 336.396 -1.520 20 0 EAADRO CN1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1=O ZINC001129970395 786891663 /nfs/dbraw/zinc/89/16/63/786891663.db2.gz MDWGRSDOUHWYHT-XQQFMLRXSA-N 1 0 336.396 -1.520 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001129977990 786893822 /nfs/dbraw/zinc/89/38/22/786893822.db2.gz NFTIMCUXBJPTDU-SUNKGSAMSA-N 1 0 340.359 -1.506 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001129977991 786894054 /nfs/dbraw/zinc/89/40/54/786894054.db2.gz NFTIMCUXBJPTDU-UHIISALHSA-N 1 0 340.359 -1.506 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2cc[nH]c2n1)N1CCNC(=O)C1 ZINC001129980051 786893716 /nfs/dbraw/zinc/89/37/16/786893716.db2.gz FQHCXRAQGJHDBE-UHFFFAOYSA-N 1 0 344.375 -1.159 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129980187 786893265 /nfs/dbraw/zinc/89/32/65/786893265.db2.gz CGNQZYGTHSJWBF-UTUOFQBUSA-N 1 0 349.395 -2.014 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 ZINC001129980195 786894019 /nfs/dbraw/zinc/89/40/19/786894019.db2.gz CZLOPBJYHBDHBY-NEPJUHHUSA-N 1 0 333.352 -1.404 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001129980242 786893534 /nfs/dbraw/zinc/89/35/34/786893534.db2.gz GIRDNYCBJXTWHK-MNOVXSKESA-N 1 0 346.351 -2.237 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 ZINC001129980373 786893954 /nfs/dbraw/zinc/89/39/54/786893954.db2.gz IFHAXYGDYKMKJP-RTXFEEFZSA-N 1 0 347.379 -1.015 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 ZINC001129980374 786893919 /nfs/dbraw/zinc/89/39/19/786893919.db2.gz IFHAXYGDYKMKJP-UHTWSYAYSA-N 1 0 347.379 -1.015 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@@H]1n1ccnn1 ZINC001129980424 786894369 /nfs/dbraw/zinc/89/43/69/786894369.db2.gz KEUNHZBPTZTAOW-YPMHNXCESA-N 1 0 346.395 -1.279 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 ZINC001129980448 786893202 /nfs/dbraw/zinc/89/32/02/786893202.db2.gz LVCPRRBVUUMOCG-OLZOCXBDSA-N 1 0 347.379 -1.014 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129980568 786894906 /nfs/dbraw/zinc/89/49/06/786894906.db2.gz ODDSNICEXPSZAX-UPJWGTAASA-N 1 0 336.396 -1.113 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129980587 786894961 /nfs/dbraw/zinc/89/49/61/786894961.db2.gz OXRHSUMWNBYSNI-UPJWGTAASA-N 1 0 336.396 -1.377 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 ZINC001129980631 786893840 /nfs/dbraw/zinc/89/38/40/786893840.db2.gz QTUBAKKZUITOEQ-OLZOCXBDSA-N 1 0 347.379 -1.062 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129980878 786894922 /nfs/dbraw/zinc/89/49/22/786894922.db2.gz YQDDYYAMHKKTAV-NEPJUHHUSA-N 1 0 333.352 -1.601 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001129980907 786893028 /nfs/dbraw/zinc/89/30/28/786893028.db2.gz ZWCJDUNSMYZSFC-NEPJUHHUSA-N 1 0 333.352 -1.337 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129982419 786893890 /nfs/dbraw/zinc/89/38/90/786893890.db2.gz FUCJNUDBJDGZDH-TUAOUCFPSA-N 1 0 337.384 -1.663 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129982426 786893810 /nfs/dbraw/zinc/89/38/10/786893810.db2.gz FUCJNUDBJDGZDH-UTUOFQBUSA-N 1 0 337.384 -1.663 20 0 EAADRO O=C(Cc1cncs1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001129982434 786894632 /nfs/dbraw/zinc/89/46/32/786894632.db2.gz IZOWMBHVSAMNGX-JTQLQIEISA-N 1 0 340.405 -1.099 20 0 EAADRO O=C(Cc1cncs1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001129982435 786894541 /nfs/dbraw/zinc/89/45/41/786894541.db2.gz IZOWMBHVSAMNGX-SNVBAGLBSA-N 1 0 340.405 -1.099 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1cncs1)C(=O)N(C)C ZINC001129982765 786894475 /nfs/dbraw/zinc/89/44/75/786894475.db2.gz PJKMIYUMZITXLG-JTQLQIEISA-N 1 0 341.437 -1.016 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1cncs1)C(=O)N(C)C ZINC001129982766 786893317 /nfs/dbraw/zinc/89/33/17/786893317.db2.gz PJKMIYUMZITXLG-SNVBAGLBSA-N 1 0 341.437 -1.016 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129982957 786894968 /nfs/dbraw/zinc/89/49/68/786894968.db2.gz KWKARHFDMGGMSR-TUAOUCFPSA-N 1 0 337.384 -1.663 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129982958 786894208 /nfs/dbraw/zinc/89/42/08/786894208.db2.gz KWKARHFDMGGMSR-UTUOFQBUSA-N 1 0 337.384 -1.663 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)Cc2cncs2)n(C)c1=O ZINC001129983074 786894295 /nfs/dbraw/zinc/89/42/95/786894295.db2.gz YHBXLQNLDDVTGB-UHFFFAOYSA-N 1 0 337.405 -1.011 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129983214 786894000 /nfs/dbraw/zinc/89/40/00/786894000.db2.gz RRGYCROCWQVQIG-AEJSXWLSSA-N 1 0 336.356 -2.953 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129983215 786894639 /nfs/dbraw/zinc/89/46/39/786894639.db2.gz RRGYCROCWQVQIG-BBBLOLIVSA-N 1 0 336.356 -2.953 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(C)cc1=O ZINC001129984244 786893489 /nfs/dbraw/zinc/89/34/89/786893489.db2.gz AGASQWLTYHLFJV-UHFFFAOYSA-N 1 0 337.380 -1.141 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CCNS(C)(=O)=O)cn1C ZINC001129984308 786894685 /nfs/dbraw/zinc/89/46/85/786894685.db2.gz CYNUXUOJYJEYMS-UHFFFAOYSA-N 1 0 330.410 -1.438 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)cn1C ZINC001129984374 786894593 /nfs/dbraw/zinc/89/45/93/786894593.db2.gz GQCRKCNILZYGJP-UHFFFAOYSA-N 1 0 336.392 -1.128 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(C)c(C)cc1=O ZINC001129984570 786893735 /nfs/dbraw/zinc/89/37/35/786893735.db2.gz OYESQLDVDWLARU-UHFFFAOYSA-N 1 0 344.437 -1.048 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)cn1C ZINC001129984588 786894263 /nfs/dbraw/zinc/89/42/63/786894263.db2.gz PSEBUFPRSRKGMC-UHFFFAOYSA-N 1 0 349.391 -1.045 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)cn1C ZINC001129984589 786894422 /nfs/dbraw/zinc/89/44/22/786894422.db2.gz PTKMNPFUPISHRK-UHFFFAOYSA-N 1 0 344.437 -1.095 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)cn1C ZINC001129984640 786894253 /nfs/dbraw/zinc/89/42/53/786894253.db2.gz SSILLKQFLCRDQE-UHFFFAOYSA-N 1 0 335.364 -1.435 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1C ZINC001129984716 786893865 /nfs/dbraw/zinc/89/38/65/786893865.db2.gz XRICRCDGDAMMSY-UHFFFAOYSA-N 1 0 349.391 -2.028 20 0 EAADRO Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001129984789 786894248 /nfs/dbraw/zinc/89/42/48/786894248.db2.gz AYOHHYQUTHLMFZ-MNOVXSKESA-N 1 0 348.367 -1.571 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129984795 786894135 /nfs/dbraw/zinc/89/41/35/786894135.db2.gz BBHBHLINFHXTIB-BDAKNGLRSA-N 1 0 332.311 -1.613 20 0 EAADRO COCCOCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129984858 786894844 /nfs/dbraw/zinc/89/48/44/786894844.db2.gz FPIJGDHZWDSSHT-MNOVXSKESA-N 1 0 326.357 -2.232 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129984901 786893428 /nfs/dbraw/zinc/89/34/28/786893428.db2.gz IMAZKLOKBSIBQC-ZJUUUORDSA-N 1 0 335.368 -2.369 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129984932 786893250 /nfs/dbraw/zinc/89/32/50/786893250.db2.gz KCHQLSISYVFWPJ-TUAOUCFPSA-N 1 0 336.396 -1.080 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129984933 786894085 /nfs/dbraw/zinc/89/40/85/786894085.db2.gz KCHQLSISYVFWPJ-UTUOFQBUSA-N 1 0 336.396 -1.080 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129985047 786893137 /nfs/dbraw/zinc/89/31/37/786893137.db2.gz NBYQVBYFMUWLGV-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001129985090 786893381 /nfs/dbraw/zinc/89/33/81/786893381.db2.gz OJXJRTCEUGYIDB-KXUCPTDWSA-N 1 0 344.322 -1.471 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001129985097 786894946 /nfs/dbraw/zinc/89/49/46/786894946.db2.gz OJXJRTCEUGYIDB-UTLUCORTSA-N 1 0 344.322 -1.471 20 0 EAADRO CCO[C@@H](C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C1CC1 ZINC001129985124 786894314 /nfs/dbraw/zinc/89/43/14/786894314.db2.gz PINKJHOOQZWOID-AGIUHOORSA-N 1 0 336.396 -1.080 20 0 EAADRO CCO[C@H](C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C1CC1 ZINC001129985125 786894450 /nfs/dbraw/zinc/89/44/50/786894450.db2.gz PINKJHOOQZWOID-FRRDWIJNSA-N 1 0 336.396 -1.080 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129985230 786894232 /nfs/dbraw/zinc/89/42/32/786894232.db2.gz SOMDGBNELRYQPF-MNOVXSKESA-N 1 0 335.368 -2.369 20 0 EAADRO CO[C@@H](C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129985233 786894030 /nfs/dbraw/zinc/89/40/30/786894030.db2.gz STEKVSWSXWKBCU-AGIUHOORSA-N 1 0 336.396 -1.080 20 0 EAADRO CO[C@H](C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129985234 786893576 /nfs/dbraw/zinc/89/35/76/786893576.db2.gz STEKVSWSXWKBCU-FRRDWIJNSA-N 1 0 336.396 -1.080 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129985243 786893308 /nfs/dbraw/zinc/89/33/08/786893308.db2.gz SWHNSFJEOSXHEB-AXFHLTTASA-N 1 0 325.348 -1.339 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129985244 786894877 /nfs/dbraw/zinc/89/48/77/786894877.db2.gz SWHNSFJEOSXHEB-MXWKQRLJSA-N 1 0 325.348 -1.339 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129985482 786895525 /nfs/dbraw/zinc/89/55/25/786895525.db2.gz YSHZYIYLDJNYBC-OLZOCXBDSA-N 1 0 336.396 -1.078 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129985486 786896483 /nfs/dbraw/zinc/89/64/83/786896483.db2.gz YWFUUDMJFAZPAH-MNOVXSKESA-N 1 0 349.395 -1.979 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129985489 786895420 /nfs/dbraw/zinc/89/54/20/786895420.db2.gz YZTDWXOWNAIQFJ-UPJWGTAASA-N 1 0 336.396 -1.078 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129985491 786896585 /nfs/dbraw/zinc/89/65/85/786896585.db2.gz YZTDWXOWNAIQFJ-XQQFMLRXSA-N 1 0 336.396 -1.078 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129985493 786896591 /nfs/dbraw/zinc/89/65/91/786896591.db2.gz ZDKHJRDGUQNSGZ-MNOVXSKESA-N 1 0 349.395 -2.027 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnc2[nH]ccc2c1)N1CCNC(=O)C1 ZINC001129986253 786896443 /nfs/dbraw/zinc/89/64/43/786896443.db2.gz QVBNSTDUJQAUQE-UHFFFAOYSA-N 1 0 344.375 -1.208 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129986464 786896724 /nfs/dbraw/zinc/89/67/24/786896724.db2.gz ARWPJJBBBPANTO-TUAOUCFPSA-N 1 0 336.396 -1.080 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129986465 786895979 /nfs/dbraw/zinc/89/59/79/786895979.db2.gz ARWPJJBBBPANTO-UTUOFQBUSA-N 1 0 336.396 -1.080 20 0 EAADRO Cn1cc(OCC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)cn1 ZINC001129986693 786895430 /nfs/dbraw/zinc/89/54/30/786895430.db2.gz JBZRWUIMZJBWEK-KGLIPLIRSA-N 1 0 349.395 -1.186 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129986696 786896074 /nfs/dbraw/zinc/89/60/74/786896074.db2.gz JDQNQQMDYHEQOF-NEPJUHHUSA-N 1 0 336.396 -1.078 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129986987 786895197 /nfs/dbraw/zinc/89/51/97/786895197.db2.gz TWSZEANTLVRUJZ-AXFHLTTASA-N 1 0 349.395 -1.980 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129986988 786896157 /nfs/dbraw/zinc/89/61/57/786896157.db2.gz TWSZEANTLVRUJZ-MXWKQRLJSA-N 1 0 349.395 -1.980 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)c(C)cc1=O ZINC001129987657 786895488 /nfs/dbraw/zinc/89/54/88/786895488.db2.gz FJROSNBJFGDBKP-JTQLQIEISA-N 1 0 337.380 -1.143 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(C)cc1=O ZINC001129987658 786896543 /nfs/dbraw/zinc/89/65/43/786896543.db2.gz FJROSNBJFGDBKP-SNVBAGLBSA-N 1 0 337.380 -1.143 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129988054 786895396 /nfs/dbraw/zinc/89/53/96/786895396.db2.gz GPBKESCPRQGZHB-MNOVXSKESA-N 1 0 330.414 -1.292 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@@H]1n1ccnn1 ZINC001129988123 786895994 /nfs/dbraw/zinc/89/59/94/786895994.db2.gz JBWBTTUNWUWLNX-NEPJUHHUSA-N 1 0 333.352 -1.024 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129988214 786896330 /nfs/dbraw/zinc/89/63/30/786896330.db2.gz KNYXRVWUYZJERP-TUAOUCFPSA-N 1 0 348.367 -2.638 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129988253 786896618 /nfs/dbraw/zinc/89/66/18/786896618.db2.gz KNYXRVWUYZJERP-UTUOFQBUSA-N 1 0 348.367 -2.638 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C(=O)NC(N)=O ZINC001129988436 786896710 /nfs/dbraw/zinc/89/67/10/786896710.db2.gz QXVZSSJOPUQCNT-PRJMDXOYSA-N 1 0 338.328 -3.312 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C(=O)NC(N)=O ZINC001129988437 786896645 /nfs/dbraw/zinc/89/66/45/786896645.db2.gz QXVZSSJOPUQCNT-RNJXMRFFSA-N 1 0 338.328 -3.312 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001129988440 786896259 /nfs/dbraw/zinc/89/62/59/786896259.db2.gz RFBQWSSICXQGMH-MNOVXSKESA-N 1 0 348.404 -1.342 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988444 786895258 /nfs/dbraw/zinc/89/52/58/786895258.db2.gz RSZGVDONRQJKJR-BDAKNGLRSA-N 1 0 345.385 -3.346 20 0 EAADRO CCCC[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001129988446 786895280 /nfs/dbraw/zinc/89/52/80/786895280.db2.gz RWUXEHDXJPEVBA-AXFHLTTASA-N 1 0 337.384 -1.851 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001129988447 786896094 /nfs/dbraw/zinc/89/60/94/786896094.db2.gz RWUXEHDXJPEVBA-MXWKQRLJSA-N 1 0 337.384 -1.851 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129988518 786896632 /nfs/dbraw/zinc/89/66/32/786896632.db2.gz WVXABYXLVVPYIV-MNOVXSKESA-N 1 0 346.413 -2.319 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988566 786895325 /nfs/dbraw/zinc/89/53/25/786895325.db2.gz YKURKVJYUUQJTJ-ZJUUUORDSA-N 1 0 344.397 -2.460 20 0 EAADRO NC(=O)C(=O)N1C[C@@H]([NH2+]CCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129988603 786896174 /nfs/dbraw/zinc/89/61/74/786896174.db2.gz ZYIOFSBPEPSWGB-NEPJUHHUSA-N 1 0 349.395 -1.883 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)c1cn[nH]c(=O)c1 ZINC001129989677 786896463 /nfs/dbraw/zinc/89/64/63/786896463.db2.gz QPWSPWCCVGJIEN-UHFFFAOYSA-N 1 0 329.382 -1.463 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129989788 786896129 /nfs/dbraw/zinc/89/61/29/786896129.db2.gz WSRJBVJHKYBIAV-UHFFFAOYSA-N 1 0 331.398 -1.169 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)[nH]c1=O ZINC001129989977 786895649 /nfs/dbraw/zinc/89/56/49/786895649.db2.gz FYGLWRRAUMKASP-PWSUYJOCSA-N 1 0 335.368 -1.245 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001129990289 786895693 /nfs/dbraw/zinc/89/56/93/786895693.db2.gz WKTWAGDQTJTGRL-KOLCDFICSA-N 1 0 348.367 -1.882 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129990596 786896731 /nfs/dbraw/zinc/89/67/31/786896731.db2.gz FVKXOZKEVCNTMT-UHFFFAOYSA-N 1 0 346.409 -1.047 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129990869 786896534 /nfs/dbraw/zinc/89/65/34/786896534.db2.gz KOHSPRYRLYFLDT-UHFFFAOYSA-N 1 0 331.398 -1.217 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cn[nH]c(=O)c1 ZINC001129990990 786895226 /nfs/dbraw/zinc/89/52/26/786895226.db2.gz OCBHTNRUTQFPID-JTQLQIEISA-N 1 0 337.336 -1.989 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cn[nH]c(=O)c1 ZINC001129991001 786895250 /nfs/dbraw/zinc/89/52/50/786895250.db2.gz OCBHTNRUTQFPID-SNVBAGLBSA-N 1 0 337.336 -1.989 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991197 786895634 /nfs/dbraw/zinc/89/56/34/786895634.db2.gz SPXKKGQNXAPXJK-CMPLNLGQSA-N 1 0 328.369 -1.086 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991201 786896745 /nfs/dbraw/zinc/89/67/45/786896745.db2.gz SPXKKGQNXAPXJK-JQWIXIFHSA-N 1 0 328.369 -1.086 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991202 786896576 /nfs/dbraw/zinc/89/65/76/786896576.db2.gz SPXKKGQNXAPXJK-PWSUYJOCSA-N 1 0 328.369 -1.086 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991204 786896701 /nfs/dbraw/zinc/89/67/01/786896701.db2.gz SPXKKGQNXAPXJK-ZYHUDNBSSA-N 1 0 328.369 -1.086 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991266 786895437 /nfs/dbraw/zinc/89/54/37/786895437.db2.gz UBOYKYNDTZSFRQ-UHFFFAOYSA-N 1 0 338.368 -1.017 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001129991455 786895616 /nfs/dbraw/zinc/89/56/16/786895616.db2.gz YIXICESDQBDEQI-JTQLQIEISA-N 1 0 343.409 -1.217 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001129991456 786895408 /nfs/dbraw/zinc/89/54/08/786895408.db2.gz YIXICESDQBDEQI-SNVBAGLBSA-N 1 0 343.409 -1.217 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991500 786896243 /nfs/dbraw/zinc/89/62/43/786896243.db2.gz ZGABAGYIAAPWNA-UHFFFAOYSA-N 1 0 347.379 -1.106 20 0 EAADRO Cn1nncc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992038 786895961 /nfs/dbraw/zinc/89/59/61/786895961.db2.gz IZWZBRZFHSLHPX-KGLIPLIRSA-N 1 0 347.427 -1.100 20 0 EAADRO Cn1cnnc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992064 786895838 /nfs/dbraw/zinc/89/58/38/786895838.db2.gz JYZZDVLMRWXBKH-OLZOCXBDSA-N 1 0 347.427 -1.100 20 0 EAADRO Cn1nnc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)n1 ZINC001129992087 786895562 /nfs/dbraw/zinc/89/55/62/786895562.db2.gz KQDZRFIHGJUYJR-NEPJUHHUSA-N 1 0 348.415 -1.705 20 0 EAADRO Cn1ncnc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992139 786898429 /nfs/dbraw/zinc/89/84/29/786898429.db2.gz MOIJZQDIIOLDKU-OLZOCXBDSA-N 1 0 347.427 -1.100 20 0 EAADRO Cn1nnnc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992190 786898569 /nfs/dbraw/zinc/89/85/69/786898569.db2.gz PXGSIKRVAAQGDU-NEPJUHHUSA-N 1 0 348.415 -1.705 20 0 EAADRO Cn1cc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)nn1 ZINC001129992248 786898382 /nfs/dbraw/zinc/89/83/82/786898382.db2.gz UTKIBYGXRKOLGZ-KGLIPLIRSA-N 1 0 347.427 -1.100 20 0 EAADRO Cn1ncc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)n1 ZINC001129992326 786897580 /nfs/dbraw/zinc/89/75/80/786897580.db2.gz YTOSZALFZMHCML-KGLIPLIRSA-N 1 0 347.427 -1.100 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1)C(=O)N(C)C ZINC001129993794 786893654 /nfs/dbraw/zinc/89/36/54/786893654.db2.gz HELNNEJAHRBHAU-SECBINFHSA-N 1 0 338.368 -1.906 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1)C(=O)N(C)C ZINC001129993795 786894098 /nfs/dbraw/zinc/89/40/98/786894098.db2.gz HELNNEJAHRBHAU-VIFPVBQESA-N 1 0 338.368 -1.906 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn[nH]c(=O)c1)C(=O)NC(=O)NC1CC1 ZINC001129993875 786893698 /nfs/dbraw/zinc/89/36/98/786893698.db2.gz LPKWNAKICBEUGY-MRVPVSSYSA-N 1 0 336.352 -1.122 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn[nH]c(=O)c1)C(=O)NC(=O)NC1CC1 ZINC001129993876 786894116 /nfs/dbraw/zinc/89/41/16/786894116.db2.gz LPKWNAKICBEUGY-QMMMGPOBSA-N 1 0 336.352 -1.122 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001129994057 786894581 /nfs/dbraw/zinc/89/45/81/786894581.db2.gz UFYZDZOUMFWIIY-UHFFFAOYSA-N 1 0 336.352 -1.168 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2cn[nH]c(=O)c2)cc(=O)n(C)c1=O ZINC001129994068 786894662 /nfs/dbraw/zinc/89/46/62/786894662.db2.gz UWVXCVMZZPZBOC-UHFFFAOYSA-N 1 0 334.336 -1.901 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129995506 786893977 /nfs/dbraw/zinc/89/39/77/786893977.db2.gz SVQSFUZDZCXQPK-MRVPVSSYSA-N 1 0 326.357 -1.023 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129995507 786896229 /nfs/dbraw/zinc/89/62/29/786896229.db2.gz SVQSFUZDZCXQPK-QMMMGPOBSA-N 1 0 326.357 -1.023 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129995733 786896668 /nfs/dbraw/zinc/89/66/68/786896668.db2.gz GJPZTUISUDCCLL-XUJVJEKNSA-N 1 0 336.396 -1.065 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 ZINC001129995745 786896502 /nfs/dbraw/zinc/89/65/02/786896502.db2.gz GYHLLYGYCLPWIL-ZJUUUORDSA-N 1 0 336.331 -1.458 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCC(=O)N1 ZINC001129995880 786895924 /nfs/dbraw/zinc/89/59/24/786895924.db2.gz OSGILLOOYQZDGG-XUJVJEKNSA-N 1 0 336.396 -1.329 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001129996130 786896187 /nfs/dbraw/zinc/89/61/87/786896187.db2.gz CGJDGKBZZPNFJP-UHFFFAOYSA-N 1 0 331.398 -1.221 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129996147 786895588 /nfs/dbraw/zinc/89/55/88/786895588.db2.gz CZZOMVPOVUYRLQ-UHFFFAOYSA-N 1 0 326.357 -1.021 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001129996156 786896111 /nfs/dbraw/zinc/89/61/11/786896111.db2.gz DBVOWUCVUQNDQK-SECBINFHSA-N 1 0 325.369 -1.010 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001129996157 786896751 /nfs/dbraw/zinc/89/67/51/786896751.db2.gz DBVOWUCVUQNDQK-VIFPVBQESA-N 1 0 325.369 -1.010 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129996514 786896390 /nfs/dbraw/zinc/89/63/90/786896390.db2.gz OEYSBLGKPJJGFN-JTQLQIEISA-N 1 0 325.369 -1.274 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001129997873 786895767 /nfs/dbraw/zinc/89/57/67/786895767.db2.gz FTNKAVQTSRQWEM-UHFFFAOYSA-N 1 0 336.352 -1.659 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001129998129 786895604 /nfs/dbraw/zinc/89/56/04/786895604.db2.gz RBQGQKWXBRJDBG-SECBINFHSA-N 1 0 339.352 -1.747 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001129998130 786896816 /nfs/dbraw/zinc/89/68/16/786896816.db2.gz RBQGQKWXBRJDBG-VIFPVBQESA-N 1 0 339.352 -1.747 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001129998136 786896797 /nfs/dbraw/zinc/89/67/97/786896797.db2.gz RGCVZSHRUXXWRU-JTQLQIEISA-N 1 0 325.369 -1.104 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001129998137 786896514 /nfs/dbraw/zinc/89/65/14/786896514.db2.gz RGCVZSHRUXXWRU-SNVBAGLBSA-N 1 0 325.369 -1.104 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001129998221 786896397 /nfs/dbraw/zinc/89/63/97/786896397.db2.gz VVVYSJSFSFOHEC-SECBINFHSA-N 1 0 340.384 -1.664 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001129998222 786895372 /nfs/dbraw/zinc/89/53/72/786895372.db2.gz VVVYSJSFSFOHEC-VIFPVBQESA-N 1 0 340.384 -1.664 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129999273 786895573 /nfs/dbraw/zinc/89/55/73/786895573.db2.gz UHQLLKPVLIVZKT-ZETOZRRWSA-N 1 0 349.395 -1.966 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn(CC(F)(F)F)n1 ZINC001129999454 786896203 /nfs/dbraw/zinc/89/62/03/786896203.db2.gz DAJATWWIKQXUNX-UHFFFAOYSA-N 1 0 336.274 -1.040 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnn1CC(F)(F)F ZINC001129999473 786896369 /nfs/dbraw/zinc/89/63/69/786896369.db2.gz FGZDNVPZTUFHIA-UHFFFAOYSA-N 1 0 336.274 -1.040 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002450 786896525 /nfs/dbraw/zinc/89/65/25/786896525.db2.gz CRKUHXMOUPNZSG-AGIUHOORSA-N 1 0 327.385 -1.073 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002451 786896055 /nfs/dbraw/zinc/89/60/55/786896055.db2.gz CRKUHXMOUPNZSG-FRRDWIJNSA-N 1 0 327.385 -1.073 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002720 786896659 /nfs/dbraw/zinc/89/66/59/786896659.db2.gz ORPCZEFSHNWPGX-GRYCIOLGSA-N 1 0 340.384 -1.973 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002721 786895460 /nfs/dbraw/zinc/89/54/60/786895460.db2.gz ORPCZEFSHNWPGX-WOPDTQHZSA-N 1 0 340.384 -1.973 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130002731 786896806 /nfs/dbraw/zinc/89/68/06/786896806.db2.gz PJBJMMWCXDPOAJ-OUAUKWLOSA-N 1 0 326.357 -2.234 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130002732 786895344 /nfs/dbraw/zinc/89/53/44/786895344.db2.gz PJBJMMWCXDPOAJ-VWYCJHECSA-N 1 0 326.357 -2.234 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130002945 786898510 /nfs/dbraw/zinc/89/85/10/786898510.db2.gz WVVIMWRUKBMGHU-AGIUHOORSA-N 1 0 327.385 -1.337 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130002946 786897419 /nfs/dbraw/zinc/89/74/19/786897419.db2.gz WVVIMWRUKBMGHU-FRRDWIJNSA-N 1 0 327.385 -1.337 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005699 786897979 /nfs/dbraw/zinc/89/79/79/786897979.db2.gz DGJOQDBNOAFZSG-MCIONIFRSA-N 1 0 349.439 -1.293 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005700 786897604 /nfs/dbraw/zinc/89/76/04/786897604.db2.gz DGJOQDBNOAFZSG-MJBXVCDLSA-N 1 0 349.439 -1.293 20 0 EAADRO C[C@@]1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001130005739 786899003 /nfs/dbraw/zinc/89/90/03/786899003.db2.gz FYZOISOSHKEERG-TYNCELHUSA-N 1 0 336.396 -1.472 20 0 EAADRO C[C@]1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001130005740 786897779 /nfs/dbraw/zinc/89/77/79/786897779.db2.gz FYZOISOSHKEERG-XUJVJEKNSA-N 1 0 336.396 -1.472 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001130005956 786897477 /nfs/dbraw/zinc/89/74/77/786897477.db2.gz MXCFIEJLSHCLOP-TYNCELHUSA-N 1 0 336.396 -1.208 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001130005957 786897866 /nfs/dbraw/zinc/89/78/66/786897866.db2.gz MXCFIEJLSHCLOP-XUJVJEKNSA-N 1 0 336.396 -1.208 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001130006257 786897858 /nfs/dbraw/zinc/89/78/58/786897858.db2.gz ZYXCIWIHYCIOPX-JRPNMDOOSA-N 1 0 349.395 -2.108 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001130006258 786897162 /nfs/dbraw/zinc/89/71/62/786897162.db2.gz ZYXCIWIHYCIOPX-ZETOZRRWSA-N 1 0 349.395 -2.108 20 0 EAADRO Cn1ncc(CCC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)n1 ZINC001130007176 786897812 /nfs/dbraw/zinc/89/78/12/786897812.db2.gz CNPUEYNFNQQLJC-KGLIPLIRSA-N 1 0 348.411 -1.237 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007221 786897256 /nfs/dbraw/zinc/89/72/56/786897256.db2.gz FEQXANDWQBSCLB-KXNHARMFSA-N 1 0 349.395 -2.123 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@@H]1n1ccnn1 ZINC001130007272 786897133 /nfs/dbraw/zinc/89/71/33/786897133.db2.gz HDOPSGJYTYOGII-OLZOCXBDSA-N 1 0 346.395 -1.429 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007575 786897708 /nfs/dbraw/zinc/89/77/08/786897708.db2.gz LKEZIWRCBMKKDS-KXNHARMFSA-N 1 0 349.395 -2.171 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007604 786897280 /nfs/dbraw/zinc/89/72/80/786897280.db2.gz MUNXTKBCORGWLD-XQHKEYJVSA-N 1 0 336.396 -1.223 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007707 786898590 /nfs/dbraw/zinc/89/85/90/786898590.db2.gz RYCJFWRAVCDKHF-MCIONIFRSA-N 1 0 349.439 -1.150 20 0 EAADRO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007709 786898146 /nfs/dbraw/zinc/89/81/46/786898146.db2.gz RYCJFWRAVCDKHF-MJBXVCDLSA-N 1 0 349.439 -1.150 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007793 786898945 /nfs/dbraw/zinc/89/89/45/786898945.db2.gz USKFXQWTZKPVFW-XQHKEYJVSA-N 1 0 336.396 -1.223 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130008062 786898681 /nfs/dbraw/zinc/89/86/81/786898681.db2.gz WMBQIGXOHCVBMU-YTWAJWBKSA-N 1 0 335.368 -2.513 20 0 EAADRO NC(=O)c1ccc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)[nH]1 ZINC001130008132 786899029 /nfs/dbraw/zinc/89/90/29/786899029.db2.gz YVQWOPCWQCMTIK-OLZOCXBDSA-N 1 0 347.379 -1.257 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn(CC(F)F)n1 ZINC001130008596 786898096 /nfs/dbraw/zinc/89/80/96/786898096.db2.gz SJQMEXQLPZQXDD-UHFFFAOYSA-N 1 0 332.311 -1.077 20 0 EAADRO Cc1nn(CC(F)F)cc1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130010102 786897682 /nfs/dbraw/zinc/89/76/82/786897682.db2.gz VCHPDBGELFJDRT-UHFFFAOYSA-N 1 0 332.311 -1.029 20 0 EAADRO O=C(CCc1cn[nH]n1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130012067 786897431 /nfs/dbraw/zinc/89/74/31/786897431.db2.gz MRHUNTRYQAYVOZ-OLZOCXBDSA-N 1 0 334.384 -1.247 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001130012243 786898732 /nfs/dbraw/zinc/89/87/32/786898732.db2.gz WPTVRRDGVNJCDM-NEPJUHHUSA-N 1 0 347.383 -1.884 20 0 EAADRO CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130012252 786898787 /nfs/dbraw/zinc/89/87/87/786898787.db2.gz WWPHADKHBSVPFR-KKOKHZNYSA-N 1 0 349.395 -1.139 20 0 EAADRO CCc1nn(C)cc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130012621 786898634 /nfs/dbraw/zinc/89/86/34/786898634.db2.gz QCEKYTLIRNLILM-UHFFFAOYSA-N 1 0 336.396 -1.740 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001130014511 786897790 /nfs/dbraw/zinc/89/77/90/786897790.db2.gz QFJJSEQXXZKCMW-FVCCEPFGSA-N 1 0 336.396 -1.067 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC001130014542 786898303 /nfs/dbraw/zinc/89/83/03/786898303.db2.gz RIUSBHKHXZHDII-POQQGIQPSA-N 1 0 348.407 -1.067 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130015594 786897899 /nfs/dbraw/zinc/89/78/99/786897899.db2.gz YYFBIVTXQAVVLH-NMKXLXIOSA-N 1 0 336.396 -1.209 20 0 EAADRO CCc1nn(C)cc1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001130017226 786897879 /nfs/dbraw/zinc/89/78/79/786897879.db2.gz XUWKTMQLPQSZAS-UHFFFAOYSA-N 1 0 348.407 -1.101 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001130017412 786898206 /nfs/dbraw/zinc/89/82/06/786898206.db2.gz HBZGCOQEPCVBJX-OLZOCXBDSA-N 1 0 344.379 -1.141 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001130017479 786897832 /nfs/dbraw/zinc/89/78/32/786897832.db2.gz KEBIWBYQLYZIIO-MCIONIFRSA-N 1 0 347.379 -1.269 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001130017480 786898561 /nfs/dbraw/zinc/89/85/61/786898561.db2.gz KEBIWBYQLYZIIO-MJBXVCDLSA-N 1 0 347.379 -1.269 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001130017500 786897761 /nfs/dbraw/zinc/89/77/61/786897761.db2.gz KVDPHIGDCGXGSB-NEPJUHHUSA-N 1 0 330.352 -1.531 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001130017586 786898657 /nfs/dbraw/zinc/89/86/57/786898657.db2.gz OFALMJYJOUGGRD-OLZOCXBDSA-N 1 0 344.379 -1.188 20 0 EAADRO O=C(c1ccnnc1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130017624 786897223 /nfs/dbraw/zinc/89/72/23/786897223.db2.gz QFCWCMGJMJYWAG-KGLIPLIRSA-N 1 0 347.379 -1.268 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001130017680 786898540 /nfs/dbraw/zinc/89/85/40/786898540.db2.gz SYPDXEPAOJVUFQ-RTXFEEFZSA-N 1 0 344.379 -1.142 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001130017681 786898065 /nfs/dbraw/zinc/89/80/65/786898065.db2.gz SYPDXEPAOJVUFQ-UHTWSYAYSA-N 1 0 344.379 -1.142 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@@H]1n1ccnn1 ZINC001130017686 786897516 /nfs/dbraw/zinc/89/75/16/786897516.db2.gz TVFNWQOFLNXMDN-AXFHLTTASA-N 1 0 347.379 -1.385 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@@H]1n1ccnn1 ZINC001130017687 786899012 /nfs/dbraw/zinc/89/90/12/786899012.db2.gz TVFNWQOFLNXMDN-MXWKQRLJSA-N 1 0 347.379 -1.385 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130020336 786898836 /nfs/dbraw/zinc/89/88/36/786898836.db2.gz BFWAWZHOMZTBIO-AXFHLTTASA-N 1 0 346.413 -2.450 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130020337 786898883 /nfs/dbraw/zinc/89/88/83/786898883.db2.gz BFWAWZHOMZTBIO-MXWKQRLJSA-N 1 0 346.413 -2.450 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020351 786898351 /nfs/dbraw/zinc/89/83/51/786898351.db2.gz BRUUOLMGLRSQDT-TUAOUCFPSA-N 1 0 344.441 -1.034 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020352 786897840 /nfs/dbraw/zinc/89/78/40/786897840.db2.gz BRUUOLMGLRSQDT-UTUOFQBUSA-N 1 0 344.441 -1.034 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130020434 786898323 /nfs/dbraw/zinc/89/83/23/786898323.db2.gz GLJDTUXNERIGAX-TUAOUCFPSA-N 1 0 337.384 -1.980 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130020435 786897665 /nfs/dbraw/zinc/89/76/65/786897665.db2.gz GLJDTUXNERIGAX-UTUOFQBUSA-N 1 0 337.384 -1.980 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130020443 786898195 /nfs/dbraw/zinc/89/81/95/786898195.db2.gz GSTYJKVLGSRBBP-MCIONIFRSA-N 1 0 338.412 -1.083 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130020444 786897311 /nfs/dbraw/zinc/89/73/11/786897311.db2.gz GSTYJKVLGSRBBP-MJBXVCDLSA-N 1 0 338.412 -1.083 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020495 786897247 /nfs/dbraw/zinc/89/72/47/786897247.db2.gz JGDKPHKSSCCFIA-TUAOUCFPSA-N 1 0 344.441 -1.033 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020496 786898291 /nfs/dbraw/zinc/89/82/91/786898291.db2.gz JGDKPHKSSCCFIA-UTUOFQBUSA-N 1 0 344.441 -1.033 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130020498 786897187 /nfs/dbraw/zinc/89/71/87/786897187.db2.gz JINWEEFPRJWSTO-OLZOCXBDSA-N 1 0 346.395 -1.279 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130020658 786898222 /nfs/dbraw/zinc/89/82/22/786898222.db2.gz QNRMNXXYAPCVNH-NEPJUHHUSA-N 1 0 332.368 -1.669 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130020662 786898448 /nfs/dbraw/zinc/89/84/48/786898448.db2.gz QUIYGQZKASFQFR-AXFHLTTASA-N 1 0 348.404 -1.473 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130020663 786898256 /nfs/dbraw/zinc/89/82/56/786898256.db2.gz QUIYGQZKASFQFR-MXWKQRLJSA-N 1 0 348.404 -1.473 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130020664 786898960 /nfs/dbraw/zinc/89/89/60/786898960.db2.gz QUTIHGFPHVVHTD-OLZOCXBDSA-N 1 0 346.395 -1.326 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020821 786897823 /nfs/dbraw/zinc/89/78/23/786897823.db2.gz YZMLTRGXQNQXCF-AXFHLTTASA-N 1 0 330.414 -1.423 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020822 786898342 /nfs/dbraw/zinc/89/83/42/786898342.db2.gz YZMLTRGXQNQXCF-MXWKQRLJSA-N 1 0 330.414 -1.423 20 0 EAADRO COC1CC(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001130021983 786898114 /nfs/dbraw/zinc/89/81/14/786898114.db2.gz 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COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130024090 786900588 /nfs/dbraw/zinc/90/05/88/786900588.db2.gz JVTAUVJLJCIWCM-MJBXVCDLSA-N 1 0 349.395 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@@H]1n1ccnn1 ZINC001130024112 786899717 /nfs/dbraw/zinc/89/97/17/786899717.db2.gz KVSUMJNZOJAWNF-OLZOCXBDSA-N 1 0 346.395 -1.429 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130024201 786899312 /nfs/dbraw/zinc/89/93/12/786899312.db2.gz MUBRZJCFISTAEI-RTXFEEFZSA-N 1 0 346.395 -1.280 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130024202 786899874 /nfs/dbraw/zinc/89/98/74/786899874.db2.gz MUBRZJCFISTAEI-UHTWSYAYSA-N 1 0 346.395 -1.280 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001130024444 786900706 /nfs/dbraw/zinc/90/07/06/786900706.db2.gz LALPWHMBSNPCCP-UHFFFAOYSA-N 1 0 348.363 -1.069 20 0 EAADRO O=C(Cc1cnc[nH]1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130024581 786899544 /nfs/dbraw/zinc/89/95/44/786899544.db2.gz XMJKZGFKJOKUQE-KGLIPLIRSA-N 1 0 349.395 -1.406 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1)C(=O)NC(N)=O ZINC001130024801 786899808 /nfs/dbraw/zinc/89/98/08/786899808.db2.gz WTMSUNTVCIBMCJ-SSDOTTSWSA-N 1 0 336.352 -1.038 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1)C(=O)NC(N)=O ZINC001130024802 786900685 /nfs/dbraw/zinc/90/06/85/786900685.db2.gz WTMSUNTVCIBMCJ-ZETCQYMHSA-N 1 0 336.352 -1.038 20 0 EAADRO O=C(COC[C@@H]1CCOC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130026614 786900198 /nfs/dbraw/zinc/90/01/98/786900198.db2.gz WAVMWUWAGWOUIZ-MCIONIFRSA-N 1 0 339.396 -1.335 20 0 EAADRO O=C(COC[C@H]1CCOC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130026615 786899848 /nfs/dbraw/zinc/89/98/48/786899848.db2.gz WAVMWUWAGWOUIZ-MJBXVCDLSA-N 1 0 339.396 -1.335 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001130027264 786899350 /nfs/dbraw/zinc/89/93/50/786899350.db2.gz ZUZHKZMVZRCRTG-UHFFFAOYSA-N 1 0 336.352 -1.165 20 0 EAADRO COCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130028142 786899384 /nfs/dbraw/zinc/89/93/84/786899384.db2.gz IUZVDRHVPJYFOK-TUAOUCFPSA-N 1 0 340.384 -1.844 20 0 EAADRO COCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130028143 786899607 /nfs/dbraw/zinc/89/96/07/786899607.db2.gz IUZVDRHVPJYFOK-UTUOFQBUSA-N 1 0 340.384 -1.844 20 0 EAADRO CCn1ccc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC)[C@@H](n3ccnn3)C2)n1 ZINC001130028409 786900797 /nfs/dbraw/zinc/90/07/97/786900797.db2.gz RJAJXWDNOGJVSA-OLZOCXBDSA-N 1 0 346.395 -1.104 20 0 EAADRO COCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130028573 786900094 /nfs/dbraw/zinc/90/00/94/786900094.db2.gz XKRFFXHYVVZLLV-UPJWGTAASA-N 1 0 327.385 -1.337 20 0 EAADRO COCCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130028574 786900361 /nfs/dbraw/zinc/90/03/61/786900361.db2.gz XKRFFXHYVVZLLV-XQQFMLRXSA-N 1 0 327.385 -1.337 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001130030564 786900032 /nfs/dbraw/zinc/90/00/32/786900032.db2.gz GMXKILLXQPXVDY-TUAOUCFPSA-N 1 0 337.384 -1.980 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130030770 786900319 /nfs/dbraw/zinc/90/03/19/786900319.db2.gz QOKGGPZZTNUBKY-AXFHLTTASA-N 1 0 337.384 -2.028 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130030771 786900215 /nfs/dbraw/zinc/90/02/15/786900215.db2.gz QOKGGPZZTNUBKY-MXWKQRLJSA-N 1 0 337.384 -2.028 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130031118 786900841 /nfs/dbraw/zinc/90/08/41/786900841.db2.gz GRQLGXNJGACSPX-NXEZZACHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130031119 786900720 /nfs/dbraw/zinc/90/07/20/786900720.db2.gz GRQLGXNJGACSPX-VHSXEESVSA-N 1 0 327.385 -1.405 20 0 EAADRO COC1CC(C(=O)NCC[NH2+]CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001130031147 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O=C(C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1)NC1CCOCC1 ZINC001130031517 786900871 /nfs/dbraw/zinc/90/08/71/786900871.db2.gz OXCKWSSXAILEHT-GFCCVEGCSA-N 1 0 326.397 -1.344 20 0 EAADRO COC1CC(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001130031638 786899941 /nfs/dbraw/zinc/89/99/41/786899941.db2.gz RPTDWWNOPDDAFN-HIFPTAJRSA-N 1 0 340.424 -1.159 20 0 EAADRO COC1CC(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001130031640 786900667 /nfs/dbraw/zinc/90/06/67/786900667.db2.gz RPTDWWNOPDDAFN-PNESKVBLSA-N 1 0 340.424 -1.159 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130032587 786899706 /nfs/dbraw/zinc/89/97/06/786899706.db2.gz ISGDYVMSFZSFTP-MNOVXSKESA-N 1 0 344.441 -1.033 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001130032594 786899830 /nfs/dbraw/zinc/89/98/30/786899830.db2.gz JBPQQUQPOWENFH-OLZOCXBDSA-N 1 0 346.395 -1.279 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130032631 786900754 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336.396 -1.100 20 0 EAADRO Cn1ccnc1COCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001130041127 786899665 /nfs/dbraw/zinc/89/96/65/786899665.db2.gz BQLVJCFHUQDEOM-ZDUSSCGKSA-N 1 0 336.396 -1.100 20 0 EAADRO CN1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1=O ZINC001130041230 786899776 /nfs/dbraw/zinc/89/97/76/786899776.db2.gz FKCWBQZRYCEWLT-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1=O ZINC001130041231 786900826 /nfs/dbraw/zinc/90/08/26/786900826.db2.gz FKCWBQZRYCEWLT-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1=O ZINC001130041251 786900012 /nfs/dbraw/zinc/90/00/12/786900012.db2.gz HCRPNTCUYBYTAS-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1=O ZINC001130041252 786899762 /nfs/dbraw/zinc/89/97/62/786899762.db2.gz HCRPNTCUYBYTAS-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1=O ZINC001130041253 786900494 /nfs/dbraw/zinc/90/04/94/786900494.db2.gz HCRPNTCUYBYTAS-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1=O ZINC001130041254 786899420 /nfs/dbraw/zinc/89/94/20/786899420.db2.gz HCRPNTCUYBYTAS-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041255 786899437 /nfs/dbraw/zinc/89/94/37/786899437.db2.gz HENBXBVGYJVJPS-GHMZBOCLSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041256 786900082 /nfs/dbraw/zinc/90/00/82/786900082.db2.gz HENBXBVGYJVJPS-MNOVXSKESA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041257 786900047 /nfs/dbraw/zinc/90/00/47/786900047.db2.gz HENBXBVGYJVJPS-QWRGUYRKSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041258 786900543 /nfs/dbraw/zinc/90/05/43/786900543.db2.gz HENBXBVGYJVJPS-WDEREUQCSA-N 1 0 341.412 -1.205 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041541 786900534 /nfs/dbraw/zinc/90/05/34/786900534.db2.gz OMGAGZFDIKJOAB-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041542 786900230 /nfs/dbraw/zinc/90/02/30/786900230.db2.gz OMGAGZFDIKJOAB-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO Cn1ccnc1COCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130041555 786900143 /nfs/dbraw/zinc/90/01/43/786900143.db2.gz OUPCYFOYNHSIQB-UHFFFAOYSA-N 1 0 337.380 -1.209 20 0 EAADRO CN1CC[C@H](CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1=O ZINC001130041621 786899643 /nfs/dbraw/zinc/89/96/43/786899643.db2.gz QTRHDMKTICLEBA-LLVKDONJSA-N 1 0 334.380 -1.011 20 0 EAADRO CN1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1=O ZINC001130041622 786899963 /nfs/dbraw/zinc/89/99/63/786899963.db2.gz QTRHDMKTICLEBA-NSHDSACASA-N 1 0 334.380 -1.011 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041641 786900815 /nfs/dbraw/zinc/90/08/15/786900815.db2.gz RKIDALWUPWAJIA-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041642 786900734 /nfs/dbraw/zinc/90/07/34/786900734.db2.gz RKIDALWUPWAJIA-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041702 786899528 /nfs/dbraw/zinc/89/95/28/786899528.db2.gz TUPJWTHUDLOGAC-LLVKDONJSA-N 1 0 341.412 -1.204 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041703 786899501 /nfs/dbraw/zinc/89/95/01/786899501.db2.gz TUPJWTHUDLOGAC-NSHDSACASA-N 1 0 341.412 -1.204 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041861 786900478 /nfs/dbraw/zinc/90/04/78/786900478.db2.gz XVIGQEKOBWTCEG-JTQLQIEISA-N 1 0 327.385 -1.594 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041862 786899331 /nfs/dbraw/zinc/89/93/31/786899331.db2.gz XVIGQEKOBWTCEG-SNVBAGLBSA-N 1 0 327.385 -1.594 20 0 EAADRO CN1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1=O ZINC001130041881 786900883 /nfs/dbraw/zinc/90/08/83/786900883.db2.gz YEEQQTOMHLKZCH-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO CN1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1=O ZINC001130041882 786899680 /nfs/dbraw/zinc/89/96/80/786899680.db2.gz YEEQQTOMHLKZCH-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO CN1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1=O ZINC001130041890 786899297 /nfs/dbraw/zinc/89/92/97/786899297.db2.gz YIURZXZQWDKFKR-GFCCVEGCSA-N 1 0 326.397 -1.581 20 0 EAADRO CN1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1=O ZINC001130041891 786899404 /nfs/dbraw/zinc/89/94/04/786899404.db2.gz YIURZXZQWDKFKR-LBPRGKRZSA-N 1 0 326.397 -1.581 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043804 786903164 /nfs/dbraw/zinc/90/31/64/786903164.db2.gz ATAGYOAVDKHFPU-RTXFEEFZSA-N 1 0 338.412 -1.085 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043805 786904097 /nfs/dbraw/zinc/90/40/97/786904097.db2.gz ATAGYOAVDKHFPU-UHTWSYAYSA-N 1 0 338.412 -1.085 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001130043872 786903115 /nfs/dbraw/zinc/90/31/15/786903115.db2.gz DORIVMUTRJMMNM-AXFHLTTASA-N 1 0 349.395 -1.980 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001130043873 786903751 /nfs/dbraw/zinc/90/37/51/786903751.db2.gz DORIVMUTRJMMNM-MXWKQRLJSA-N 1 0 349.395 -1.980 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001130043920 786903397 /nfs/dbraw/zinc/90/33/97/786903397.db2.gz HAELTHCQRBRAFB-NEPJUHHUSA-N 1 0 336.396 -1.472 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)CC1 ZINC001130043957 786903510 /nfs/dbraw/zinc/90/35/10/786903510.db2.gz IUNCTOVWKROUEB-TUAOUCFPSA-N 1 0 336.396 -1.473 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)CC1 ZINC001130043958 786904103 /nfs/dbraw/zinc/90/41/03/786904103.db2.gz IUNCTOVWKROUEB-UTUOFQBUSA-N 1 0 336.396 -1.473 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130044051 786904139 /nfs/dbraw/zinc/90/41/39/786904139.db2.gz NOEAIPWXFYYNQA-OLZOCXBDSA-N 1 0 338.412 -1.083 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)CC1 ZINC001130044139 786903000 /nfs/dbraw/zinc/90/30/00/786903000.db2.gz SBQSTAWTHYMXCU-NEPJUHHUSA-N 1 0 336.396 -1.208 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130044198 786903708 /nfs/dbraw/zinc/90/37/08/786903708.db2.gz VSGZBXBRZRCWGM-MNOVXSKESA-N 1 0 337.384 -1.980 20 0 EAADRO CCCC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001130044248 786903782 /nfs/dbraw/zinc/90/37/82/786903782.db2.gz YESFKUUKHXHFRC-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001130044257 786903847 /nfs/dbraw/zinc/90/38/47/786903847.db2.gz YPHQQYCSQWYWHB-ZJUUUORDSA-N 1 0 335.368 -2.369 20 0 EAADRO O=C(c1ccncn1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130045924 786903522 /nfs/dbraw/zinc/90/35/22/786903522.db2.gz DHOOXEKXUOUOJP-KGLIPLIRSA-N 1 0 347.379 -1.268 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc2n(n1)CCCC2)N1CCNC(=O)C1 ZINC001130045931 786903689 /nfs/dbraw/zinc/90/36/89/786903689.db2.gz HAQSQRROHVLVHS-UHFFFAOYSA-N 1 0 348.407 -1.503 20 0 EAADRO CS(=O)(=O)CCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130046201 786903129 /nfs/dbraw/zinc/90/31/29/786903129.db2.gz HZPIPSJPEOSJQB-NEPJUHHUSA-N 1 0 345.425 -1.563 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130046273 786903344 /nfs/dbraw/zinc/90/33/44/786903344.db2.gz KWYWNRNEAGPJFI-OLZOCXBDSA-N 1 0 344.379 -1.188 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130046718 786903965 /nfs/dbraw/zinc/90/39/65/786903965.db2.gz PFINCXXTDRDKHJ-NEPJUHHUSA-N 1 0 330.352 -1.531 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130047114 786904119 /nfs/dbraw/zinc/90/41/19/786904119.db2.gz WKULBCKQHOJUSV-BNOWGMLFSA-N 1 0 347.379 -1.269 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130047115 786903478 /nfs/dbraw/zinc/90/34/78/786903478.db2.gz WKULBCKQHOJUSV-YUTCNCBUSA-N 1 0 347.379 -1.269 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130047124 786904125 /nfs/dbraw/zinc/90/41/25/786904125.db2.gz WZGNOVQQGYCAEJ-RTXFEEFZSA-N 1 0 344.379 -1.142 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130047125 786903879 /nfs/dbraw/zinc/90/38/79/786903879.db2.gz WZGNOVQQGYCAEJ-UHTWSYAYSA-N 1 0 344.379 -1.142 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130047148 786903792 /nfs/dbraw/zinc/90/37/92/786903792.db2.gz YWZIOLRMOAXNQD-OLZOCXBDSA-N 1 0 344.379 -1.141 20 0 EAADRO O=C(C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1)NC1CC1 ZINC001130047429 786903930 /nfs/dbraw/zinc/90/39/30/786903930.db2.gz AOQDHRAJNGOEGU-NEPJUHHUSA-N 1 0 346.351 -1.405 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 ZINC001130047542 786904079 /nfs/dbraw/zinc/90/40/79/786904079.db2.gz GGOWNNGADMOURN-TUAOUCFPSA-N 1 0 344.379 -1.142 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 ZINC001130047543 786903612 /nfs/dbraw/zinc/90/36/12/786903612.db2.gz GGOWNNGADMOURN-UTUOFQBUSA-N 1 0 344.379 -1.142 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001130047544 786903186 /nfs/dbraw/zinc/90/31/86/786903186.db2.gz GHGFNWMPTVOKQF-MNOVXSKESA-N 1 0 334.340 -1.548 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001130047575 786903355 /nfs/dbraw/zinc/90/33/55/786903355.db2.gz IKBVFFBUSPRWIS-NEPJUHHUSA-N 1 0 348.367 -1.157 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 ZINC001130047588 786904170 /nfs/dbraw/zinc/90/41/70/786904170.db2.gz ISIBWUWWWAYDJJ-MNOVXSKESA-N 1 0 330.352 -1.531 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 ZINC001130047601 786902976 /nfs/dbraw/zinc/90/29/76/786902976.db2.gz JILVETMKWCYJHA-NEPJUHHUSA-N 1 0 344.379 -1.141 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001130047609 786903214 /nfs/dbraw/zinc/90/32/14/786903214.db2.gz JQHRAYIDMLNCTI-NEPJUHHUSA-N 1 0 348.367 -1.205 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001130047695 786903370 /nfs/dbraw/zinc/90/33/70/786903370.db2.gz ODLJTZLESNAWNG-GDPRMGEGSA-N 1 0 334.340 -1.549 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001130047696 786904064 /nfs/dbraw/zinc/90/40/64/786904064.db2.gz ODLJTZLESNAWNG-IEBDPFPHSA-N 1 0 334.340 -1.549 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001130047704 786903536 /nfs/dbraw/zinc/90/35/36/786903536.db2.gz OMJNBMAEKTXLIV-NEPJUHHUSA-N 1 0 348.367 -1.159 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 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CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1 ZINC001130050373 786901464 /nfs/dbraw/zinc/90/14/64/786901464.db2.gz VUGVAJCRHMCQKD-OLZOCXBDSA-N 1 0 344.379 -1.188 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001130050456 786901838 /nfs/dbraw/zinc/90/18/38/786901838.db2.gz ZPGMEHJJMZGCFA-AXFHLTTASA-N 1 0 347.383 -1.472 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001130050457 786902214 /nfs/dbraw/zinc/90/22/14/786902214.db2.gz ZPGMEHJJMZGCFA-MXWKQRLJSA-N 1 0 347.383 -1.472 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130050473 786901831 /nfs/dbraw/zinc/90/18/31/786901831.db2.gz AHVVNHNNRRNTGG-CYBMUJFWSA-N 1 0 328.413 -1.287 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130050474 786901223 /nfs/dbraw/zinc/90/12/23/786901223.db2.gz AHVVNHNNRRNTGG-ZDUSSCGKSA-N 1 0 328.413 -1.287 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130050491 786902435 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CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130050677 786901496 /nfs/dbraw/zinc/90/14/96/786901496.db2.gz FGZOSCMLRYZEOK-VHSXEESVSA-N 1 0 327.385 -1.595 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130050678 786902334 /nfs/dbraw/zinc/90/23/34/786902334.db2.gz FGZOSCMLRYZEOK-ZJUUUORDSA-N 1 0 327.385 -1.595 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130050739 786902527 /nfs/dbraw/zinc/90/25/27/786902527.db2.gz GTOLQSHBCAVWGP-CHWSQXEVSA-N 1 0 331.413 -1.416 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130050740 786901725 /nfs/dbraw/zinc/90/17/25/786901725.db2.gz GTOLQSHBCAVWGP-OLZOCXBDSA-N 1 0 331.413 -1.416 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130050741 786901973 /nfs/dbraw/zinc/90/19/73/786901973.db2.gz GTOLQSHBCAVWGP-QWHCGFSZSA-N 1 0 331.413 -1.416 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130050742 786901665 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Cc1cnc2nc(C(=O)NCC[NH2+][C@@H]3CCC(=O)NC3=O)nn2c1 ZINC001130077265 786907381 /nfs/dbraw/zinc/90/73/81/786907381.db2.gz ZKLRAPUXXQICKJ-SECBINFHSA-N 1 0 331.336 -1.443 20 0 EAADRO Cc1cnc2nc(C(=O)NCC[NH2+][C@H]3CCC(=O)NC3=O)nn2c1 ZINC001130077266 786907821 /nfs/dbraw/zinc/90/78/21/786907821.db2.gz ZKLRAPUXXQICKJ-VIFPVBQESA-N 1 0 331.336 -1.443 20 0 EAADRO COCCCOCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130077438 786906711 /nfs/dbraw/zinc/90/67/11/786906711.db2.gz IRJLRJCPJDUNEU-NEPJUHHUSA-N 1 0 340.384 -1.842 20 0 EAADRO O=C(CCCn1cncn1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130077448 786906786 /nfs/dbraw/zinc/90/67/86/786906786.db2.gz JFLQOXMMKSPQGX-OLZOCXBDSA-N 1 0 334.384 -1.316 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)c1cnc[nH]c1=O ZINC001130078898 786907955 /nfs/dbraw/zinc/90/79/55/786907955.db2.gz AOCNFGQQGKOOKU-UHFFFAOYSA-N 1 0 329.382 -1.463 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130078916 786907170 /nfs/dbraw/zinc/90/71/70/786907170.db2.gz 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NC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130081348 786906179 /nfs/dbraw/zinc/90/61/79/786906179.db2.gz KBNDVYSYQNMDBR-NEPJUHHUSA-N 1 0 349.395 -1.979 20 0 EAADRO O=C(CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)NCC1CC1 ZINC001130081440 786905243 /nfs/dbraw/zinc/90/52/43/786905243.db2.gz OWYXBNKPDVZXJL-OLZOCXBDSA-N 1 0 336.396 -1.472 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130083634 786904932 /nfs/dbraw/zinc/90/49/32/786904932.db2.gz DVBATTUFTWKBIG-ZJUUUORDSA-N 1 0 333.356 -2.274 20 0 EAADRO CN(C)C(=O)C1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001130083748 786905683 /nfs/dbraw/zinc/90/56/83/786905683.db2.gz ICBYOGLNNYCMGT-MNOVXSKESA-N 1 0 349.395 -2.027 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130083863 786904976 /nfs/dbraw/zinc/90/49/76/786904976.db2.gz NGFAWYKZVQQUMC-AXFHLTTASA-N 1 0 347.383 -1.885 20 0 EAADRO 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ZINC001130085980 786905041 /nfs/dbraw/zinc/90/50/41/786905041.db2.gz GNIQUSWAMPVJCN-OLZOCXBDSA-N 1 0 346.395 -1.658 20 0 EAADRO Cn1cncc1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130086064 786904906 /nfs/dbraw/zinc/90/49/06/786904906.db2.gz JNZKRNPIVZSQGG-KGLIPLIRSA-N 1 0 333.396 -1.022 20 0 EAADRO CCn1cnc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC)[C@@H](n3ccnn3)C2)c1 ZINC001130086276 786905566 /nfs/dbraw/zinc/90/55/66/786905566.db2.gz TXQVUTGPBQQAGQ-YPMHNXCESA-N 1 0 346.395 -1.104 20 0 EAADRO CN(C)C(=O)CCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130088910 786906904 /nfs/dbraw/zinc/90/69/04/786906904.db2.gz OOXKKUPTVZXGKQ-OLZOCXBDSA-N 1 0 338.412 -1.130 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnc2n[nH]cc2c1)N1CCNC(=O)C1 ZINC001130089371 786907673 /nfs/dbraw/zinc/90/76/73/786907673.db2.gz LXFFDWMQKMYDBX-UHFFFAOYSA-N 1 0 345.363 -1.764 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130091113 786907939 /nfs/dbraw/zinc/90/79/39/786907939.db2.gz BCNVCIYMBUUSRE-TUAOUCFPSA-N 1 0 349.395 -1.966 20 0 EAADRO CCNC(=O)CCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130091172 786907026 /nfs/dbraw/zinc/90/70/26/786907026.db2.gz DLNATSRODPVTOY-OLZOCXBDSA-N 1 0 338.412 -1.082 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130091311 786907209 /nfs/dbraw/zinc/90/72/09/786907209.db2.gz KQCROUWGSNZISU-AXFHLTTASA-N 1 0 335.368 -2.356 20 0 EAADRO CCCNC(=O)CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130091366 786907071 /nfs/dbraw/zinc/90/70/71/786907071.db2.gz PATJKUXFYUOUGM-OLZOCXBDSA-N 1 0 338.412 -1.082 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130091425 786907880 /nfs/dbraw/zinc/90/78/80/786907880.db2.gz RYJIFCNZBADXKI-XQQFMLRXSA-N 1 0 336.396 -1.065 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130091439 786907782 /nfs/dbraw/zinc/90/77/82/786907782.db2.gz SZKHAXIPOZHXDM-XQQFMLRXSA-N 1 0 336.396 -1.065 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130091480 786907248 /nfs/dbraw/zinc/90/72/48/786907248.db2.gz WCQKRLSOTRBJLA-TUAOUCFPSA-N 1 0 349.395 -2.014 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cnc2n[nH]cc2c1 ZINC001130091979 786907320 /nfs/dbraw/zinc/90/73/20/786907320.db2.gz KLSKVUNKGJOIEG-UHFFFAOYSA-N 1 0 331.336 -1.171 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001130092431 786907455 /nfs/dbraw/zinc/90/74/55/786907455.db2.gz VMVNWZJGZKNKIM-UHFFFAOYSA-N 1 0 326.382 -1.174 20 0 EAADRO CC(=O)N[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130094868 786908226 /nfs/dbraw/zinc/90/82/26/786908226.db2.gz UHWGQQXFPZPYJH-HZSPNIEDSA-N 1 0 338.412 -1.227 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC1 ZINC001130096394 786907692 /nfs/dbraw/zinc/90/76/92/786907692.db2.gz FZSNJFBUSRCIEV-MNOVXSKESA-N 1 0 349.395 -1.979 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCC1 ZINC001130096866 786906823 /nfs/dbraw/zinc/90/68/23/786906823.db2.gz VUQDRKYWQKAORN-NEPJUHHUSA-N 1 0 336.396 -1.472 20 0 EAADRO CC(C)(C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130097028 786906733 /nfs/dbraw/zinc/90/67/33/786906733.db2.gz YWXRDAZRNRZBKO-ZJUUUORDSA-N 1 0 337.384 -1.139 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccsn1 ZINC001130104753 786907687 /nfs/dbraw/zinc/90/76/87/786907687.db2.gz TWJXTTNYMFELOD-SECBINFHSA-N 1 0 326.378 -1.028 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccsn1 ZINC001130104754 786906851 /nfs/dbraw/zinc/90/68/51/786906851.db2.gz TWJXTTNYMFELOD-VIFPVBQESA-N 1 0 326.378 -1.028 20 0 EAADRO CCOc1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]n1 ZINC001130106743 786908310 /nfs/dbraw/zinc/90/83/10/786908310.db2.gz AEUSQSNAHGZNEI-UHFFFAOYSA-N 1 0 338.368 -1.914 20 0 EAADRO CCOc1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)[nH]n1 ZINC001130106890 786907501 /nfs/dbraw/zinc/90/75/01/786907501.db2.gz HWIUMHDUIXSFHK-UHFFFAOYSA-N 1 0 325.369 -1.013 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130106915 786908032 /nfs/dbraw/zinc/90/80/32/786908032.db2.gz ALOXWIOLNJVDMR-MNOVXSKESA-N 1 0 330.414 -1.469 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(OCC)n[nH]1 ZINC001130106964 786907347 /nfs/dbraw/zinc/90/73/47/786907347.db2.gz JRKZCEBNPXSQHR-UHFFFAOYSA-N 1 0 326.357 -1.027 20 0 EAADRO CC(C)[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130107355 786907835 /nfs/dbraw/zinc/90/78/35/786907835.db2.gz LSKYRQSKSSULCK-NEPJUHHUSA-N 1 0 344.441 -1.081 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130107378 786908280 /nfs/dbraw/zinc/90/82/80/786908280.db2.gz NGQMKRXRNNXJFD-NEPJUHHUSA-N 1 0 344.441 -1.079 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130107395 786907905 /nfs/dbraw/zinc/90/79/05/786907905.db2.gz OCHBXGQBXPEJLE-MNOVXSKESA-N 1 0 346.413 -2.497 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130107419 786908092 /nfs/dbraw/zinc/90/80/92/786908092.db2.gz PQABOPMTHZKLLP-UTUOFQBUSA-N 1 0 339.400 -1.551 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1n1ccnn1 ZINC001130107700 786908120 /nfs/dbraw/zinc/90/81/20/786908120.db2.gz WHMUOECDAPWCRQ-OLZOCXBDSA-N 1 0 346.395 -1.360 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130107704 786907574 /nfs/dbraw/zinc/90/75/74/786907574.db2.gz WSKDMQHFRYKDCO-MNOVXSKESA-N 1 0 348.404 -1.520 20 0 EAADRO CCOc1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)[nH]n1 ZINC001130109491 786908072 /nfs/dbraw/zinc/90/80/72/786908072.db2.gz QDEGSYNABVYUFY-MRVPVSSYSA-N 1 0 326.357 -1.028 20 0 EAADRO CCOc1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)[nH]n1 ZINC001130109492 786907433 /nfs/dbraw/zinc/90/74/33/786907433.db2.gz QDEGSYNABVYUFY-QMMMGPOBSA-N 1 0 326.357 -1.028 20 0 EAADRO CCc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130109943 786907300 /nfs/dbraw/zinc/90/73/00/786907300.db2.gz MCMYSDNCQVKBIY-NEPJUHHUSA-N 1 0 346.395 -1.035 20 0 EAADRO CC(=O)N(C)CCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130111363 786907188 /nfs/dbraw/zinc/90/71/88/786907188.db2.gz FOBSVNXCNKYLDK-KGLIPLIRSA-N 1 0 338.412 -1.130 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)ccc1=O ZINC001130111938 786907632 /nfs/dbraw/zinc/90/76/32/786907632.db2.gz NVKOKECMDFYTLU-OLZOCXBDSA-N 1 0 347.379 -1.591 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1n1ccnn1 ZINC001130112245 786908163 /nfs/dbraw/zinc/90/81/63/786908163.db2.gz SWSLSVSJGXFCGL-OLZOCXBDSA-N 1 0 347.379 -1.327 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112527 786907992 /nfs/dbraw/zinc/90/79/92/786907992.db2.gz DTFGZXVQENVORW-MNOVXSKESA-N 1 0 333.356 -2.343 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112549 786907708 /nfs/dbraw/zinc/90/77/08/786907708.db2.gz FWIDGVSQXAAJGK-UPJWGTAASA-N 1 0 334.384 -1.054 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112550 786908042 /nfs/dbraw/zinc/90/80/42/786908042.db2.gz FWIDGVSQXAAJGK-XQQFMLRXSA-N 1 0 334.384 -1.054 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112668 786907764 /nfs/dbraw/zinc/90/77/64/786907764.db2.gz LNTWYGWSVCQELE-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112685 786908263 /nfs/dbraw/zinc/90/82/63/786908263.db2.gz MJEUDYFQHZTYQV-UPJWGTAASA-N 1 0 334.384 -1.054 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112686 786907518 /nfs/dbraw/zinc/90/75/18/786907518.db2.gz MJEUDYFQHZTYQV-XQQFMLRXSA-N 1 0 334.384 -1.054 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112692 786907747 /nfs/dbraw/zinc/90/77/47/786907747.db2.gz MNAOMJPWGOWHLZ-NEPJUHHUSA-N 1 0 347.383 -2.001 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1 ZINC001130112694 786907263 /nfs/dbraw/zinc/90/72/63/786907263.db2.gz MQASMYVAHSTENL-NEPJUHHUSA-N 1 0 345.363 -1.220 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112762 786907141 /nfs/dbraw/zinc/90/71/41/786907141.db2.gz QKBBYPXOGRXNIY-OLZOCXBDSA-N 1 0 334.384 -1.052 20 0 EAADRO O=C(CNC(=O)c1ccco1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130112808 786907120 /nfs/dbraw/zinc/90/71/20/786907120.db2.gz SIEXIZWCMYSBPD-NEPJUHHUSA-N 1 0 348.363 -1.365 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112845 786908209 /nfs/dbraw/zinc/90/82/09/786908209.db2.gz UEXCQAVUNWLBRO-TUAOUCFPSA-N 1 0 347.383 -1.954 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112846 786910249 /nfs/dbraw/zinc/91/02/49/786910249.db2.gz UEXCQAVUNWLBRO-UTUOFQBUSA-N 1 0 347.383 -1.954 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130112864 786910067 /nfs/dbraw/zinc/91/00/67/786910067.db2.gz UXDBHWWZQSJWBX-NEPJUHHUSA-N 1 0 347.383 -1.953 20 0 EAADRO CCCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001130115195 786909856 /nfs/dbraw/zinc/90/98/56/786909856.db2.gz ZBQCYKUKOBFYKQ-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)COCc1cc(C)on1 ZINC001130116158 786907637 /nfs/dbraw/zinc/90/76/37/786907637.db2.gz DXJVUMZQBXNXBG-UHFFFAOYSA-N 1 0 327.341 -1.339 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+]CCNS(C)(=O)=O)no1 ZINC001130116614 786906937 /nfs/dbraw/zinc/90/69/37/786906937.db2.gz MXWXYEFCGZIENH-UHFFFAOYSA-N 1 0 334.398 -1.245 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)no1 ZINC001130116664 786907811 /nfs/dbraw/zinc/90/78/11/786907811.db2.gz OKTSKKYGEMVFOW-UHFFFAOYSA-N 1 0 339.352 -1.243 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)no1 ZINC001130117146 786910138 /nfs/dbraw/zinc/91/01/38/786910138.db2.gz ZGXOYGBANPSBKV-SECBINFHSA-N 1 0 327.341 -1.211 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)no1 ZINC001130117147 786908762 /nfs/dbraw/zinc/90/87/62/786908762.db2.gz ZGXOYGBANPSBKV-VIFPVBQESA-N 1 0 327.341 -1.211 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)COCc1cc(C)no1 ZINC001130118186 786908785 /nfs/dbraw/zinc/90/87/85/786908785.db2.gz RVASZMJHQYOWAR-UHFFFAOYSA-N 1 0 327.341 -1.339 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118299 786909581 /nfs/dbraw/zinc/90/95/81/786909581.db2.gz CYCGVOTWVLXWKS-ZJUUUORDSA-N 1 0 338.372 -2.576 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)on1 ZINC001130118348 786909490 /nfs/dbraw/zinc/90/94/90/786909490.db2.gz XMNHNGCULCSPFR-UHFFFAOYSA-N 1 0 339.352 -1.243 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001130118392 786909687 /nfs/dbraw/zinc/90/96/87/786909687.db2.gz DXZIPPOZLORASZ-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO NC(=O)NCCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130118463 786910096 /nfs/dbraw/zinc/91/00/96/786910096.db2.gz GREHSQGYINCNCZ-MNOVXSKESA-N 1 0 325.373 -1.940 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118486 786910235 /nfs/dbraw/zinc/91/02/35/786910235.db2.gz HSEKXNSOWYHIJN-MNOVXSKESA-N 1 0 325.373 -1.676 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118527 786909485 /nfs/dbraw/zinc/90/94/85/786909485.db2.gz KEFCOLCUSYUNLL-TUAOUCFPSA-N 1 0 339.400 -1.287 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118530 786909256 /nfs/dbraw/zinc/90/92/56/786909256.db2.gz KEFCOLCUSYUNLL-UTUOFQBUSA-N 1 0 339.400 -1.287 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118550 786910009 /nfs/dbraw/zinc/91/00/09/786910009.db2.gz KSJAKXWRHNEPPC-TUAOUCFPSA-N 1 0 339.400 -1.287 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118551 786908726 /nfs/dbraw/zinc/90/87/26/786908726.db2.gz KSJAKXWRHNEPPC-UTUOFQBUSA-N 1 0 339.400 -1.287 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118801 786910155 /nfs/dbraw/zinc/91/01/55/786910155.db2.gz OBVHMCVBVCEWIJ-NEPJUHHUSA-N 1 0 339.400 -1.286 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001130118807 786909651 /nfs/dbraw/zinc/90/96/51/786909651.db2.gz OKEYWCGWXIUWLE-AEJSXWLSSA-N 1 0 338.372 -2.448 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001130118808 786909298 /nfs/dbraw/zinc/90/92/98/786909298.db2.gz OKEYWCGWXIUWLE-BBBLOLIVSA-N 1 0 338.372 -2.448 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130119086 786910058 /nfs/dbraw/zinc/91/00/58/786910058.db2.gz VEKIWGPXDTUWEW-AXFHLTTASA-N 1 0 325.373 -1.941 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130119089 786909114 /nfs/dbraw/zinc/90/91/14/786909114.db2.gz VEKIWGPXDTUWEW-MXWKQRLJSA-N 1 0 325.373 -1.941 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130119244 786909636 /nfs/dbraw/zinc/90/96/36/786909636.db2.gz ZIHXHEUZLKRSOP-NEPJUHHUSA-N 1 0 339.400 -1.286 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)on1 ZINC001130120322 786909900 /nfs/dbraw/zinc/90/99/00/786909900.db2.gz BHHPJARLBPCZJU-SECBINFHSA-N 1 0 327.341 -1.211 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)on1 ZINC001130120324 786908664 /nfs/dbraw/zinc/90/86/64/786908664.db2.gz BHHPJARLBPCZJU-VIFPVBQESA-N 1 0 327.341 -1.211 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130120529 786909661 /nfs/dbraw/zinc/90/96/61/786909661.db2.gz GEUGYODCWKPJHT-UHFFFAOYSA-N 1 0 341.412 -1.205 20 0 EAADRO Cn1nccc1COCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001130120588 786909551 /nfs/dbraw/zinc/90/95/51/786909551.db2.gz HWLBXMGVMDCMGB-UHFFFAOYSA-N 1 0 339.396 -1.499 20 0 EAADRO CN(CC[NH2+]CCNC(=O)COCc1ccnn1C)S(C)(=O)=O ZINC001130120593 786908969 /nfs/dbraw/zinc/90/89/69/786908969.db2.gz IGOAFBIWMLJYEH-UHFFFAOYSA-N 1 0 347.441 -1.466 20 0 EAADRO CC(C)(C)C(=O)NCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130120706 786909617 /nfs/dbraw/zinc/90/96/17/786909617.db2.gz DYAHIENHWWXRTC-NEPJUHHUSA-N 1 0 338.412 -1.226 20 0 EAADRO Cc1cc(COCC(=O)NCC[NH2+]CCNS(C)(=O)=O)on1 ZINC001130120903 786909538 /nfs/dbraw/zinc/90/95/38/786909538.db2.gz NVXRUPKKGOLIFN-UHFFFAOYSA-N 1 0 334.398 -1.245 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130121194 786909229 /nfs/dbraw/zinc/90/92/29/786909229.db2.gz SDYUIDXGSFNBIK-UHFFFAOYSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130121420 786909332 /nfs/dbraw/zinc/90/93/32/786909332.db2.gz UCWYMCHBCKBNTP-UHFFFAOYSA-N 1 0 340.384 -1.512 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130121464 786909126 /nfs/dbraw/zinc/90/91/26/786909126.db2.gz WFPMNUKCQUOVBU-UHFFFAOYSA-N 1 0 341.412 -1.205 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130121497 786910151 /nfs/dbraw/zinc/91/01/51/786910151.db2.gz XLPBKIMOTLIGBQ-AWEZNQCLSA-N 1 0 344.412 -1.334 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130121498 786909263 /nfs/dbraw/zinc/90/92/63/786909263.db2.gz XLPBKIMOTLIGBQ-CQSZACIVSA-N 1 0 344.412 -1.334 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130121550 786910105 /nfs/dbraw/zinc/91/01/05/786910105.db2.gz ZZTCMQNEDAAFSC-UHFFFAOYSA-N 1 0 326.357 -1.902 20 0 EAADRO Cn1nccc1COCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001130121754 786909287 /nfs/dbraw/zinc/90/92/87/786909287.db2.gz COFSYFQAQUONIK-AWEZNQCLSA-N 1 0 336.396 -1.100 20 0 EAADRO Cn1nccc1COCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001130121755 786909893 /nfs/dbraw/zinc/90/98/93/786909893.db2.gz COFSYFQAQUONIK-CQSZACIVSA-N 1 0 336.396 -1.100 20 0 EAADRO Cn1nccc1COCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130121922 786909987 /nfs/dbraw/zinc/90/99/87/786909987.db2.gz GLERYTJWXPHJGS-UHFFFAOYSA-N 1 0 337.380 -1.209 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130122110 786909795 /nfs/dbraw/zinc/90/97/95/786909795.db2.gz KPLGILUOMKYTMC-UHFFFAOYSA-N 1 0 347.441 -1.418 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)COCc1ccnn1C)C(=O)NC(N)=O ZINC001130122124 786909437 /nfs/dbraw/zinc/90/94/37/786909437.db2.gz LGZOPWVCMVTPMZ-SECBINFHSA-N 1 0 326.357 -1.774 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)COCc1ccnn1C)C(=O)NC(N)=O ZINC001130122125 786910081 /nfs/dbraw/zinc/91/00/81/786910081.db2.gz LGZOPWVCMVTPMZ-VIFPVBQESA-N 1 0 326.357 -1.774 20 0 EAADRO Cn1nccc1COCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130122152 786908914 /nfs/dbraw/zinc/90/89/14/786908914.db2.gz MKLWSOUYWREILV-UHFFFAOYSA-N 1 0 333.414 -1.808 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130122311 786908738 /nfs/dbraw/zinc/90/87/38/786908738.db2.gz PDBUIDBQILUIJC-JTQLQIEISA-N 1 0 340.384 -1.513 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130122312 786908939 /nfs/dbraw/zinc/90/89/39/786908939.db2.gz PDBUIDBQILUIJC-SNVBAGLBSA-N 1 0 340.384 -1.513 20 0 EAADRO Cn1nccc1COCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130122523 786908901 /nfs/dbraw/zinc/90/89/01/786908901.db2.gz TZZRABGYDYZDOL-UHFFFAOYSA-N 1 0 338.368 -1.806 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001130122920 786909743 /nfs/dbraw/zinc/90/97/43/786909743.db2.gz BNKVHWOMRRNVDF-RTXFEEFZSA-N 1 0 346.395 -1.199 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001130122921 786909939 /nfs/dbraw/zinc/90/99/39/786909939.db2.gz BNKVHWOMRRNVDF-UHTWSYAYSA-N 1 0 346.395 -1.199 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001130123189 786909777 /nfs/dbraw/zinc/90/97/77/786909777.db2.gz KPGJTUCTHQJIIN-OLZOCXBDSA-N 1 0 346.395 -1.245 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001130123237 786909971 /nfs/dbraw/zinc/90/99/71/786909971.db2.gz LGFJPOUVMFZQGW-NEPJUHHUSA-N 1 0 332.368 -1.587 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@@H]1n1ccnn1 ZINC001130123347 786909724 /nfs/dbraw/zinc/90/97/24/786909724.db2.gz OFQMSRBLLOLQQY-OLZOCXBDSA-N 1 0 346.395 -1.429 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001130123386 786909766 /nfs/dbraw/zinc/90/97/66/786909766.db2.gz PJWBXVODRVVVET-OLZOCXBDSA-N 1 0 346.395 -1.197 20 0 EAADRO O=C(Cn1ccccc1=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130123411 786908810 /nfs/dbraw/zinc/90/88/10/786908810.db2.gz QEGPBXKABOBQHU-KGLIPLIRSA-N 1 0 346.391 -1.136 20 0 EAADRO Cn1ccc(C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)n1 ZINC001130123626 786909154 /nfs/dbraw/zinc/90/91/54/786909154.db2.gz WLTLQSRGGSYYFF-KGLIPLIRSA-N 1 0 349.395 -1.324 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001130123772 786909694 /nfs/dbraw/zinc/90/96/94/786909694.db2.gz ZTSMKSHXJMIABQ-BNOWGMLFSA-N 1 0 349.395 -1.326 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001130123773 786909321 /nfs/dbraw/zinc/90/93/21/786909321.db2.gz ZTSMKSHXJMIABQ-YUTCNCBUSA-N 1 0 349.395 -1.326 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)c(=O)[nH]c1C ZINC001130124850 786909496 /nfs/dbraw/zinc/90/94/96/786909496.db2.gz ZSSNTUKVJBQWJO-UHFFFAOYSA-N 1 0 337.380 -1.023 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001130124858 786909207 /nfs/dbraw/zinc/90/92/07/786909207.db2.gz ZYHORQNBSNJFAG-UHFFFAOYSA-N 1 0 338.368 -1.036 20 0 EAADRO NC(=O)c1cc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001130125281 786909276 /nfs/dbraw/zinc/90/92/76/786909276.db2.gz FYFJAUOEJWSSGC-OLZOCXBDSA-N 1 0 347.379 -1.257 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001130126842 786909056 /nfs/dbraw/zinc/90/90/56/786909056.db2.gz JXYXZNJJLYIQOL-SECBINFHSA-N 1 0 338.368 -1.037 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001130126843 786909916 /nfs/dbraw/zinc/90/99/16/786909916.db2.gz JXYXZNJJLYIQOL-VIFPVBQESA-N 1 0 338.368 -1.037 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2nc[nH]c2n1)N1CCNC(=O)C1 ZINC001130126856 786909016 /nfs/dbraw/zinc/90/90/16/786909016.db2.gz KLJHCQFDRZDVJA-UHFFFAOYSA-N 1 0 345.363 -1.764 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)c(=O)[nH]c1C ZINC001130127010 786908992 /nfs/dbraw/zinc/90/89/92/786908992.db2.gz QNVZHDNPSHBHIL-UHFFFAOYSA-N 1 0 331.398 -1.332 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c(=O)[nH]c1C ZINC001130127099 786909808 /nfs/dbraw/zinc/90/98/08/786909808.db2.gz UFUWIEBUUWKWMS-UHFFFAOYSA-N 1 0 336.352 -1.330 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130127901 786909037 /nfs/dbraw/zinc/90/90/37/786909037.db2.gz OQLORELAYZPYLP-UPJWGTAASA-N 1 0 338.412 -1.226 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130127902 786909878 /nfs/dbraw/zinc/90/98/78/786909878.db2.gz OQLORELAYZPYLP-XQQFMLRXSA-N 1 0 338.412 -1.226 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc2nc[nH]c2n1 ZINC001130128875 786909672 /nfs/dbraw/zinc/90/96/72/786909672.db2.gz IQXIQEOOMZIWMD-UHFFFAOYSA-N 1 0 326.382 -1.174 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1ccc2nc[nH]c2n1 ZINC001130129061 786909789 /nfs/dbraw/zinc/90/97/89/786909789.db2.gz QGQYUIUAIRROBC-UHFFFAOYSA-N 1 0 331.336 -1.171 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130129383 786909714 /nfs/dbraw/zinc/90/97/14/786909714.db2.gz FMDIWPBEUHNIQY-NEPJUHHUSA-N 1 0 345.425 -1.565 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1n1ccnn1 ZINC001130129413 786909560 /nfs/dbraw/zinc/90/95/60/786909560.db2.gz HEWBNVAITVYKPZ-OLZOCXBDSA-N 1 0 331.380 -1.064 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@@H]1n1ccnn1 ZINC001130129439 786909755 /nfs/dbraw/zinc/90/97/55/786909755.db2.gz IECOGPCMOFMBTR-OLZOCXBDSA-N 1 0 344.379 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001130132306 786911885 /nfs/dbraw/zinc/91/18/85/786911885.db2.gz ADHVCSWJFVNHGX-NEPJUHHUSA-N 1 0 342.425 -1.421 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130132598 786911534 /nfs/dbraw/zinc/91/15/34/786911534.db2.gz HIXAUQHQFSMWBB-ZJUUUORDSA-N 1 0 332.386 -2.839 20 0 EAADRO CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1n1ccnn1 ZINC001130132605 786911693 /nfs/dbraw/zinc/91/16/93/786911693.db2.gz HUKPWVFPAMZKQR-MNOVXSKESA-N 1 0 330.414 -1.421 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001130132718 786911282 /nfs/dbraw/zinc/91/12/82/786911282.db2.gz MEEGPDZUPHWHFM-NEPJUHHUSA-N 1 0 344.441 -1.175 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001130132736 786910822 /nfs/dbraw/zinc/91/08/22/786910822.db2.gz MZKPSUVEYGUWLR-MNOVXSKESA-N 1 0 330.414 -1.423 20 0 EAADRO CCCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1n1ccnn1 ZINC001130132741 786911916 /nfs/dbraw/zinc/91/19/16/786911916.db2.gz NEBMUIITXQSMRQ-NEPJUHHUSA-N 1 0 344.441 -1.031 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130132860 786911977 /nfs/dbraw/zinc/91/19/77/786911977.db2.gz UBFSNQNDVOTVAB-MNOVXSKESA-N 1 0 346.413 -2.449 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130132869 786911620 /nfs/dbraw/zinc/91/16/20/786911620.db2.gz UHTCEIVMZVAPBS-MNOVXSKESA-N 1 0 346.413 -2.185 20 0 EAADRO CCCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130132941 786910632 /nfs/dbraw/zinc/91/06/32/786910632.db2.gz XQWUQZKKGXYZSD-NEPJUHHUSA-N 1 0 345.425 -1.563 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130132958 786910740 /nfs/dbraw/zinc/91/07/40/786910740.db2.gz YFZXCQUNYQTCLQ-MNOVXSKESA-N 1 0 348.404 -1.472 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1n1ccnn1 ZINC001130132967 786911091 /nfs/dbraw/zinc/91/10/91/786911091.db2.gz YKMKOXWBOBJUFK-OLZOCXBDSA-N 1 0 346.395 -1.218 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130132980 786912014 /nfs/dbraw/zinc/91/20/14/786912014.db2.gz ZACQUPJSXOAWMJ-ZJUUUORDSA-N 1 0 334.377 -1.862 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130132985 786911022 /nfs/dbraw/zinc/91/10/22/786911022.db2.gz ZNNXPGSYWKLHEW-BDAKNGLRSA-N 1 0 345.385 -3.346 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130132992 786910746 /nfs/dbraw/zinc/91/07/46/786910746.db2.gz ZTIOIQZWBZDWIM-AXFHLTTASA-N 1 0 346.413 -2.450 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130132993 786910687 /nfs/dbraw/zinc/91/06/87/786910687.db2.gz ZTIOIQZWBZDWIM-MXWKQRLJSA-N 1 0 346.413 -2.450 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc2cccn2cn1)N1CCNC(=O)C1 ZINC001130134884 786911921 /nfs/dbraw/zinc/91/19/21/786911921.db2.gz KOIPOPTTYINRKQ-UHFFFAOYSA-N 1 0 344.375 -1.388 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130137070 786911549 /nfs/dbraw/zinc/91/15/49/786911549.db2.gz HRQURRRGDRZLGN-NEPJUHHUSA-N 1 0 345.425 -1.299 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130137073 786911075 /nfs/dbraw/zinc/91/10/75/786911075.db2.gz HWJCJRVJJYQRAH-MNOVXSKESA-N 1 0 331.398 -1.953 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137091 786911958 /nfs/dbraw/zinc/91/19/58/786911958.db2.gz IKWVGMUYUROJKN-NEPJUHHUSA-N 1 0 345.425 -1.563 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@@H]1n1ccnn1 ZINC001130137118 786912007 /nfs/dbraw/zinc/91/20/07/786912007.db2.gz JXODHXOXNAHYKY-NEPJUHHUSA-N 1 0 347.383 -1.953 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130137388 786911404 /nfs/dbraw/zinc/91/14/04/786911404.db2.gz WYZFPPDUHKULCU-TUAOUCFPSA-N 1 0 345.425 -1.565 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130137389 786911496 /nfs/dbraw/zinc/91/14/96/786911496.db2.gz WYZFPPDUHKULCU-UTUOFQBUSA-N 1 0 345.425 -1.565 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130137431 786910717 /nfs/dbraw/zinc/91/07/17/786910717.db2.gz ZGBDPAJVNQIOBW-NEPJUHHUSA-N 1 0 344.441 -1.079 20 0 EAADRO CCOCCOCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130139604 786911001 /nfs/dbraw/zinc/91/10/01/786911001.db2.gz FCWVIXQUZKBSTD-NEPJUHHUSA-N 1 0 340.384 -1.842 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130139735 786910756 /nfs/dbraw/zinc/91/07/56/786910756.db2.gz GVYWBCOKUBULQY-MNOVXSKESA-N 1 0 339.400 -1.681 20 0 EAADRO CCOCCOCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130139869 786910673 /nfs/dbraw/zinc/91/06/73/786910673.db2.gz KJGVHBTYHWPWDZ-OLZOCXBDSA-N 1 0 327.385 -1.335 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001130140322 786911981 /nfs/dbraw/zinc/91/19/81/786911981.db2.gz WAHQHMZTCMBOBU-RFQIPJPRSA-N 1 0 339.396 -1.194 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001130140327 786911839 /nfs/dbraw/zinc/91/18/39/786911839.db2.gz WAHQHMZTCMBOBU-YIYPIFLZSA-N 1 0 339.396 -1.194 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1n1ccnn1 ZINC001130143102 786911892 /nfs/dbraw/zinc/91/18/92/786911892.db2.gz OGVAHRINRXGMIH-NEPJUHHUSA-N 1 0 349.395 -1.383 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)n(C)c1=O ZINC001130143539 786911910 /nfs/dbraw/zinc/91/19/10/786911910.db2.gz YNWZVDWNRBYXPD-NEPJUHHUSA-N 1 0 349.395 -1.647 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130143565 786911874 /nfs/dbraw/zinc/91/18/74/786911874.db2.gz ZSCNVSSBNCELTJ-TUAOUCFPSA-N 1 0 345.425 -1.707 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130143566 786911446 /nfs/dbraw/zinc/91/14/46/786911446.db2.gz ZSCNVSSBNCELTJ-UTUOFQBUSA-N 1 0 345.425 -1.707 20 0 EAADRO O=C(CNC(=O)C1CCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130145766 786908680 /nfs/dbraw/zinc/90/86/80/786908680.db2.gz AEDNYJRABXKTSA-OLZOCXBDSA-N 1 0 336.396 -1.472 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@@H]1n1ccnn1 ZINC001130146218 786909524 /nfs/dbraw/zinc/90/95/24/786909524.db2.gz LPDNZCOGXLUJBK-NEPJUHHUSA-N 1 0 349.395 -1.979 20 0 EAADRO COCCOCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130148088 786911637 /nfs/dbraw/zinc/91/16/37/786911637.db2.gz FGSUJLVLAZEOJD-OLZOCXBDSA-N 1 0 327.385 -1.335 20 0 EAADRO COCCOCCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130148520 786914451 /nfs/dbraw/zinc/91/44/51/786914451.db2.gz UYOTXWYWGALBRC-NEPJUHHUSA-N 1 0 340.384 -1.842 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151063 786911760 /nfs/dbraw/zinc/91/17/60/786911760.db2.gz HJRAVSDLZHITIU-NEPJUHHUSA-N 1 0 332.368 -1.738 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151206 786911827 /nfs/dbraw/zinc/91/18/27/786911827.db2.gz IZPMMKYVGZZYDF-MCIONIFRSA-N 1 0 349.395 -1.476 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151207 786911985 /nfs/dbraw/zinc/91/19/85/786911985.db2.gz IZPMMKYVGZZYDF-MJBXVCDLSA-N 1 0 349.395 -1.476 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151261 786911929 /nfs/dbraw/zinc/91/19/29/786911929.db2.gz LGCXJFYMRWOCGX-UPJWGTAASA-N 1 0 346.395 -1.349 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151262 786910832 /nfs/dbraw/zinc/91/08/32/786910832.db2.gz LGCXJFYMRWOCGX-XQQFMLRXSA-N 1 0 346.395 -1.349 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151430 786911161 /nfs/dbraw/zinc/91/11/61/786911161.db2.gz QUMQDVJHXMCVNC-OLZOCXBDSA-N 1 0 346.395 -1.396 20 0 EAADRO O=C(Cn1ccnc1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130151444 786912033 /nfs/dbraw/zinc/91/20/33/786912033.db2.gz RFHUIPNGGJCQOT-KGLIPLIRSA-N 1 0 349.395 -1.475 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151541 786911122 /nfs/dbraw/zinc/91/11/22/786911122.db2.gz WQSIVNQDTCLBCA-OLZOCXBDSA-N 1 0 346.395 -1.348 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 ZINC001130153155 786911041 /nfs/dbraw/zinc/91/10/41/786911041.db2.gz BCWGPPHVHUEFKB-MNOVXSKESA-N 1 0 337.384 -1.979 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 ZINC001130153170 786910693 /nfs/dbraw/zinc/91/06/93/786910693.db2.gz BVAPTNCLDGYTHQ-AXFHLTTASA-N 1 0 348.367 -1.241 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 ZINC001130153171 786911378 /nfs/dbraw/zinc/91/13/78/786911378.db2.gz BVAPTNCLDGYTHQ-MXWKQRLJSA-N 1 0 348.367 -1.241 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 ZINC001130153176 786911789 /nfs/dbraw/zinc/91/17/89/786911789.db2.gz CCWFWPSPJOOUKN-ZJUUUORDSA-N 1 0 334.340 -1.629 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001130153180 786911267 /nfs/dbraw/zinc/91/12/67/786911267.db2.gz CERXJJPBERIJLU-AXFHLTTASA-N 1 0 337.384 -1.851 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1)C(N)=O ZINC001130153181 786910603 /nfs/dbraw/zinc/91/06/03/786910603.db2.gz CERXJJPBERIJLU-MXWKQRLJSA-N 1 0 337.384 -1.851 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 ZINC001130153243 786912022 /nfs/dbraw/zinc/91/20/22/786912022.db2.gz FHERRJBYYYKIJF-MNOVXSKESA-N 1 0 348.367 -1.239 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130153436 786911847 /nfs/dbraw/zinc/91/18/47/786911847.db2.gz RIGVXIIHMXBUTJ-MNOVXSKESA-N 1 0 348.367 -1.287 20 0 EAADRO Cn1cc(CCC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)nn1 ZINC001130155554 786911702 /nfs/dbraw/zinc/91/17/02/786911702.db2.gz OJXLKESKIRPKLB-KGLIPLIRSA-N 1 0 348.411 -1.237 20 0 EAADRO NC(=O)CCCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130155737 786910974 /nfs/dbraw/zinc/91/09/74/786910974.db2.gz YMLAHOWJJHXMDW-TUAOUCFPSA-N 1 0 349.395 -1.836 20 0 EAADRO NC(=O)CCCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130155740 786911515 /nfs/dbraw/zinc/91/15/15/786911515.db2.gz YMLAHOWJJHXMDW-UTUOFQBUSA-N 1 0 349.395 -1.836 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130158465 786911729 /nfs/dbraw/zinc/91/17/29/786911729.db2.gz KPDCAEHOWBULAE-OLZOCXBDSA-N 1 0 346.395 -1.218 20 0 EAADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130158645 786913676 /nfs/dbraw/zinc/91/36/76/786913676.db2.gz PLNBJGAJZKVVJZ-OLZOCXBDSA-N 1 0 349.395 -1.026 20 0 EAADRO CNC(=O)CCCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130159024 786913904 /nfs/dbraw/zinc/91/39/04/786913904.db2.gz YGAFZIXDOCOQMX-OLZOCXBDSA-N 1 0 338.412 -1.082 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1 ZINC001130159048 786913949 /nfs/dbraw/zinc/91/39/49/786913949.db2.gz ZILPKCHFMUHQCC-UPJWGTAASA-N 1 0 349.395 -1.028 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1 ZINC001130159049 786913359 /nfs/dbraw/zinc/91/33/59/786913359.db2.gz ZILPKCHFMUHQCC-XQQFMLRXSA-N 1 0 349.395 -1.028 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1 ZINC001130159065 786913165 /nfs/dbraw/zinc/91/31/65/786913165.db2.gz ZUJVJFXPBZRINW-MNOVXSKESA-N 1 0 332.368 -1.289 20 0 EAADRO O=C(COC[C@H]1CCCO1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130160755 786912581 /nfs/dbraw/zinc/91/25/81/786912581.db2.gz AGEYDBHNXAIJDN-MCIONIFRSA-N 1 0 339.396 -1.193 20 0 EAADRO O=C(COC[C@@H]1CCCO1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130160756 786914253 /nfs/dbraw/zinc/91/42/53/786914253.db2.gz AGEYDBHNXAIJDN-MJBXVCDLSA-N 1 0 339.396 -1.193 20 0 EAADRO CO[C@@H]1CCn2cc(C(=O)NCC[NH2+][C@@H]3CCC(=O)NC3=O)nc2C1 ZINC001130162654 786913730 /nfs/dbraw/zinc/91/37/30/786913730.db2.gz FHBCVADOIGXLPG-GHMZBOCLSA-N 1 0 349.391 -1.031 20 0 EAADRO CO[C@@H]1CCn2cc(C(=O)NCC[NH2+][C@H]3CCC(=O)NC3=O)nc2C1 ZINC001130162655 786912750 /nfs/dbraw/zinc/91/27/50/786912750.db2.gz FHBCVADOIGXLPG-MNOVXSKESA-N 1 0 349.391 -1.031 20 0 EAADRO CO[C@H]1CCn2cc(C(=O)NCC[NH2+][C@H]3CCC(=O)NC3=O)nc2C1 ZINC001130162656 786913650 /nfs/dbraw/zinc/91/36/50/786913650.db2.gz FHBCVADOIGXLPG-QWRGUYRKSA-N 1 0 349.391 -1.031 20 0 EAADRO 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ZINC001130182670 786916706 /nfs/dbraw/zinc/91/67/06/786916706.db2.gz RWUUIPUXITVPEE-MGPQQGTHSA-N 1 0 333.429 -1.565 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130182693 786915606 /nfs/dbraw/zinc/91/56/06/786915606.db2.gz TYQKSLMQDZLPRF-VXGBXAGGSA-N 1 0 336.458 -1.649 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)O1 ZINC001130182707 786916083 /nfs/dbraw/zinc/91/60/83/786916083.db2.gz UHSZIQKPLSWFND-VXGBXAGGSA-N 1 0 336.458 -1.697 20 0 EAADRO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(N)=O)[nH]1 ZINC001130182789 786915310 /nfs/dbraw/zinc/91/53/10/786915310.db2.gz BTDCBQVMJFYZET-UWVGGRQHSA-N 1 0 339.400 -1.039 20 0 EAADRO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(N)=O)[nH]1 ZINC001130183023 786915247 /nfs/dbraw/zinc/91/52/47/786915247.db2.gz LYOSMIMHEVHEPH-UWVGGRQHSA-N 1 0 339.400 -1.040 20 0 EAADRO NC(=O)NCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130183036 786915971 /nfs/dbraw/zinc/91/59/71/786915971.db2.gz 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C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)O1 ZINC001130184321 786915794 /nfs/dbraw/zinc/91/57/94/786915794.db2.gz LTADIBMTXZDIHU-HZSPNIEDSA-N 1 0 325.413 -1.331 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)O1 ZINC001130184322 786916024 /nfs/dbraw/zinc/91/60/24/786916024.db2.gz LTADIBMTXZDIHU-MGPQQGTHSA-N 1 0 325.413 -1.331 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184504 786917062 /nfs/dbraw/zinc/91/70/62/786917062.db2.gz SUNVQNJVWMVGLJ-GMTAPVOTSA-N 1 0 329.401 -1.745 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184505 786916755 /nfs/dbraw/zinc/91/67/55/786916755.db2.gz SUNVQNJVWMVGLJ-OUAUKWLOSA-N 1 0 329.401 -1.745 20 0 EAADRO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1)c1ccn[nH]1 ZINC001130184667 786915379 /nfs/dbraw/zinc/91/53/79/786915379.db2.gz CTSLYDDEVCZSIR-ONGXEEELSA-N 1 0 335.368 -1.088 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn[nH]2)n1 ZINC001130184673 786917246 /nfs/dbraw/zinc/91/72/46/786917246.db2.gz DCLORGFUJJARJZ-WPRPVWTQSA-N 1 0 348.367 -1.595 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)O1 ZINC001130184706 786915578 /nfs/dbraw/zinc/91/55/78/786915578.db2.gz XGMOCSUCKPDXEK-HZSPNIEDSA-N 1 0 342.440 -1.436 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)O1 ZINC001130184707 786916728 /nfs/dbraw/zinc/91/67/28/786916728.db2.gz XGMOCSUCKPDXEK-MGPQQGTHSA-N 1 0 342.440 -1.436 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184735 786916242 /nfs/dbraw/zinc/91/62/42/786916242.db2.gz YJZLUDIJJXPJGE-HZSPNIEDSA-N 1 0 344.456 -1.048 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184736 786915730 /nfs/dbraw/zinc/91/57/30/786915730.db2.gz YJZLUDIJJXPJGE-MGPQQGTHSA-N 1 0 344.456 -1.048 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)O1 ZINC001130186336 786915680 /nfs/dbraw/zinc/91/56/80/786915680.db2.gz GDVJJWZJOGXGBE-TZMCWYRMSA-N 1 0 342.440 -1.294 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccon2)n1 ZINC001130186859 786915326 /nfs/dbraw/zinc/91/53/26/786915326.db2.gz OXYVOKCIUQPOHX-WPRPVWTQSA-N 1 0 349.351 -1.330 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130187058 786915853 /nfs/dbraw/zinc/91/58/53/786915853.db2.gz OBSJETRGNLJIDZ-CHWSQXEVSA-N 1 0 330.429 -1.436 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130187103 786917215 /nfs/dbraw/zinc/91/72/15/786917215.db2.gz ORUQNLHETIYMCA-GRYCIOLGSA-N 1 0 343.428 -1.355 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130187104 786916363 /nfs/dbraw/zinc/91/63/63/786916363.db2.gz ORUQNLHETIYMCA-IJLUTSLNSA-N 1 0 343.428 -1.355 20 0 EAADRO CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n[nH]1 ZINC001130187778 786915892 /nfs/dbraw/zinc/91/58/92/786915892.db2.gz IXQMISFPHRHODU-UWVGGRQHSA-N 1 0 340.384 -1.595 20 0 EAADRO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cnnn2)[nH]1 ZINC001130187787 786915517 /nfs/dbraw/zinc/91/55/17/786915517.db2.gz JFGAINCISAJEFW-QWRGUYRKSA-N 1 0 349.399 -1.020 20 0 EAADRO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cnnn2)[nH]1 ZINC001130187850 786915659 /nfs/dbraw/zinc/91/56/59/786915659.db2.gz MWSJEDAAHVAOMZ-UWVGGRQHSA-N 1 0 335.372 -1.410 20 0 EAADRO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cnnn2)[nH]1 ZINC001130187913 786915777 /nfs/dbraw/zinc/91/57/77/786915777.db2.gz PXFGRDIHPNBJFG-QWRGUYRKSA-N 1 0 349.399 -1.022 20 0 EAADRO CCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130187923 786916877 /nfs/dbraw/zinc/91/68/77/786916877.db2.gz QLLDOSLONJUDKT-QWRGUYRKSA-N 1 0 327.385 -1.088 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn[nH]c2)n1 ZINC001130188112 786915285 /nfs/dbraw/zinc/91/52/85/786915285.db2.gz ZJXGQOFMTTVYCX-UWVGGRQHSA-N 1 0 348.367 -1.595 20 0 EAADRO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1)c1cn[nH]c1 ZINC001130190514 786916150 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340.384 -1.597 20 0 EAADRO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1)[C@H]1CCOC1 ZINC001130190972 786916977 /nfs/dbraw/zinc/91/69/77/786916977.db2.gz WYNRDHMTYAWBOG-SRVKXCTJSA-N 1 0 339.396 -1.088 20 0 EAADRO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1)[C@@H]1CCOC1 ZINC001130190973 786916679 /nfs/dbraw/zinc/91/66/79/786916679.db2.gz WYNRDHMTYAWBOG-WOPDTQHZSA-N 1 0 339.396 -1.088 20 0 EAADRO Cn1nccc1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130192997 786914943 /nfs/dbraw/zinc/91/49/43/786914943.db2.gz DNLBJMOFOBCUHD-JQWIXIFHSA-N 1 0 349.395 -1.077 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cocn2)n1 ZINC001130195782 786915536 /nfs/dbraw/zinc/91/55/36/786915536.db2.gz CBHKCFQBZXZXGL-WPRPVWTQSA-N 1 0 349.351 -1.330 20 0 EAADRO O=C(Cc1cc[nH]n1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130196067 786915947 /nfs/dbraw/zinc/91/59/47/786915947.db2.gz QAKSILLYLAXHPV-RYUDHWBXSA-N 1 0 349.395 -1.159 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198255 786916302 /nfs/dbraw/zinc/91/63/02/786916302.db2.gz CACZGCPUIZUMKT-YUMQZZPRSA-N 1 0 339.356 -2.756 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(N)=O)[nH]1 ZINC001130198264 786915925 /nfs/dbraw/zinc/91/59/25/786915925.db2.gz CQKUAFJSDNDNQD-GUBZILKMSA-N 1 0 340.384 -1.861 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(N)=O)[nH]1 ZINC001130198265 786917256 /nfs/dbraw/zinc/91/72/56/786917256.db2.gz CQKUAFJSDNDNQD-UTLUCORTSA-N 1 0 340.384 -1.861 20 0 EAADRO NC(=O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130198278 786917098 /nfs/dbraw/zinc/91/70/98/786917098.db2.gz DMSCTLJZNSIVFR-IUCAKERBSA-N 1 0 328.348 -1.272 20 0 EAADRO COCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(N)=O)[nH]1 ZINC001130198331 786915433 /nfs/dbraw/zinc/91/54/33/786915433.db2.gz GQFJJRWUMIDKMD-UWVGGRQHSA-N 1 0 340.384 -1.595 20 0 EAADRO NC(=O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130198621 786916542 /nfs/dbraw/zinc/91/65/42/786916542.db2.gz RMSDYTRVYVANED-IUCAKERBSA-N 1 0 326.357 -2.249 20 0 EAADRO NC(=O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCO)[nH]1 ZINC001130198645 786915155 /nfs/dbraw/zinc/91/51/55/786915155.db2.gz SQDNAFAOUZURED-UWVGGRQHSA-N 1 0 340.384 -1.859 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130200218 786918683 /nfs/dbraw/zinc/91/86/83/786918683.db2.gz GHYWHEXWGNVTOA-HNNXBMFYSA-N 1 0 341.412 -1.156 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130200220 786918017 /nfs/dbraw/zinc/91/80/17/786918017.db2.gz GHYWHEXWGNVTOA-OAHLLOKOSA-N 1 0 341.412 -1.156 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CCNC(=O)C1 ZINC001130200393 786917858 /nfs/dbraw/zinc/91/78/58/786917858.db2.gz ICJWCJFBTFUYEV-INIZCTEOSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CCNC(=O)C1 ZINC001130200394 786918417 /nfs/dbraw/zinc/91/84/17/786918417.db2.gz ICJWCJFBTFUYEV-MRXNPFEDSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CCNC(=O)C1 ZINC001130200439 786917874 /nfs/dbraw/zinc/91/78/74/786917874.db2.gz JEYRWZFIDXHDMM-HNNXBMFYSA-N 1 0 326.397 -1.533 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CCNC(=O)C1 ZINC001130200440 786918051 /nfs/dbraw/zinc/91/80/51/786918051.db2.gz JEYRWZFIDXHDMM-OAHLLOKOSA-N 1 0 326.397 -1.533 20 0 EAADRO Cn1cnc(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCO)[nH]2)c1 ZINC001130200562 786919122 /nfs/dbraw/zinc/91/91/22/786919122.db2.gz QHBRDWBDRPBRHM-JQWIXIFHSA-N 1 0 349.395 -1.077 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130200641 786918263 /nfs/dbraw/zinc/91/82/63/786918263.db2.gz MBTDVDOLSVBTBH-HNNXBMFYSA-N 1 0 328.413 -1.239 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130200642 786919151 /nfs/dbraw/zinc/91/91/51/786919151.db2.gz MBTDVDOLSVBTBH-OAHLLOKOSA-N 1 0 328.413 -1.239 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130201045 786919384 /nfs/dbraw/zinc/91/93/84/786919384.db2.gz TUQWOUIQTSCLIQ-AWEZNQCLSA-N 1 0 327.385 -1.546 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130201046 786918063 /nfs/dbraw/zinc/91/80/63/786918063.db2.gz TUQWOUIQTSCLIQ-CQSZACIVSA-N 1 0 327.385 -1.546 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130201088 786919040 /nfs/dbraw/zinc/91/90/40/786919040.db2.gz VBHKNTGDQUINKO-BMIGLBTASA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130201089 786919333 /nfs/dbraw/zinc/91/93/33/786919333.db2.gz VBHKNTGDQUINKO-BONVTDFDSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130201090 786919370 /nfs/dbraw/zinc/91/93/70/786919370.db2.gz VBHKNTGDQUINKO-MEBBXXQBSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130201091 786917885 /nfs/dbraw/zinc/91/78/85/786917885.db2.gz VBHKNTGDQUINKO-ZUZCIYMTSA-N 1 0 341.412 -1.157 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1)S(C)(=O)=O ZINC001130202816 786918920 /nfs/dbraw/zinc/91/89/20/786918920.db2.gz AOPYVZIBBOMARS-CYBMUJFWSA-N 1 0 334.442 -1.500 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1)S(C)(=O)=O ZINC001130202817 786919013 /nfs/dbraw/zinc/91/90/13/786919013.db2.gz AOPYVZIBBOMARS-ZDUSSCGKSA-N 1 0 334.442 -1.500 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CCNC(=O)C1 ZINC001130202871 786918849 /nfs/dbraw/zinc/91/88/49/786918849.db2.gz AWTQPWNPINKBQZ-HNNXBMFYSA-N 1 0 339.396 -1.403 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CCNC(=O)C1 ZINC001130202876 786919782 /nfs/dbraw/zinc/91/97/82/786919782.db2.gz AWTQPWNPINKBQZ-OAHLLOKOSA-N 1 0 339.396 -1.403 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CCNC(=O)C1 ZINC001130202879 786921094 /nfs/dbraw/zinc/92/10/94/786921094.db2.gz BAFREHOOVHVVLF-BLLLJJGKSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CCNC(=O)C1 ZINC001130202880 786920077 /nfs/dbraw/zinc/92/00/77/786920077.db2.gz BAFREHOOVHVVLF-LRDDRELGSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CCNC(=O)C1 ZINC001130202881 786920409 /nfs/dbraw/zinc/92/04/09/786920409.db2.gz BAFREHOOVHVVLF-MLGOLLRUSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CCNC(=O)C1 ZINC001130202883 786919790 /nfs/dbraw/zinc/91/97/90/786919790.db2.gz BAFREHOOVHVVLF-WBMJQRKESA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1)c1cncnc1 ZINC001130203039 786921203 /nfs/dbraw/zinc/92/12/03/786921203.db2.gz QIJWTDDBICNDAU-RYUDHWBXSA-N 1 0 347.379 -1.021 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CCNC(=O)C1 ZINC001130203129 786916342 /nfs/dbraw/zinc/91/63/42/786916342.db2.gz FUFMHMPZPRJMRG-AWEZNQCLSA-N 1 0 346.453 -1.356 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CCNC(=O)C1 ZINC001130203130 786915053 /nfs/dbraw/zinc/91/50/53/786915053.db2.gz FUFMHMPZPRJMRG-CQSZACIVSA-N 1 0 346.453 -1.356 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCNC(=O)C1 ZINC001130203476 786915808 /nfs/dbraw/zinc/91/58/08/786915808.db2.gz NHPMBKGIDMOAJQ-HNNXBMFYSA-N 1 0 339.396 -2.433 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCNC(=O)C1 ZINC001130203477 786916042 /nfs/dbraw/zinc/91/60/42/786916042.db2.gz NHPMBKGIDMOAJQ-OAHLLOKOSA-N 1 0 339.396 -2.433 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130203496 786916140 /nfs/dbraw/zinc/91/61/40/786916140.db2.gz NSCKVTWKLVZZOM-AWEZNQCLSA-N 1 0 348.469 -1.062 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130203497 786917053 /nfs/dbraw/zinc/91/70/53/786917053.db2.gz NSCKVTWKLVZZOM-CQSZACIVSA-N 1 0 348.469 -1.062 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130203747 786915367 /nfs/dbraw/zinc/91/53/67/786915367.db2.gz WJXUNHPRDWVNFV-HNNXBMFYSA-N 1 0 328.413 -1.239 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130203748 786915597 /nfs/dbraw/zinc/91/55/97/786915597.db2.gz WJXUNHPRDWVNFV-OAHLLOKOSA-N 1 0 328.413 -1.239 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CCNC(=O)C1 ZINC001130203790 786915651 /nfs/dbraw/zinc/91/56/51/786915651.db2.gz XWLKATPARZFMHN-BLLLJJGKSA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CCNC(=O)C1 ZINC001130203791 786916293 /nfs/dbraw/zinc/91/62/93/786916293.db2.gz XWLKATPARZFMHN-LRDDRELGSA-N 1 0 340.424 -1.408 20 0 EAADRO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)NC(N)=O)[nH]1 ZINC001130204764 786917005 /nfs/dbraw/zinc/91/70/05/786917005.db2.gz JQNQDLBSWQDSLO-GUBZILKMSA-N 1 0 339.400 -1.040 20 0 EAADRO CNC(=O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130205152 786916404 /nfs/dbraw/zinc/91/64/04/786916404.db2.gz SFZNHJKPYCKKKS-UWVGGRQHSA-N 1 0 342.375 -1.011 20 0 EAADRO CNC(=O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130205157 786915444 /nfs/dbraw/zinc/91/54/44/786915444.db2.gz SKQOFVWOFHZAAY-UWVGGRQHSA-N 1 0 340.384 -1.989 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@]2(C)CCNC(=O)C2)CCO1 ZINC001130205200 786916007 /nfs/dbraw/zinc/91/60/07/786916007.db2.gz HXWSUHPBGIBTFL-BLLLJJGKSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@]2(C)CCNC(=O)C2)CCO1 ZINC001130205206 786915269 /nfs/dbraw/zinc/91/52/69/786915269.db2.gz HXWSUHPBGIBTFL-LRDDRELGSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@]2(C)CCNC(=O)C2)CCO1 ZINC001130205208 786915079 /nfs/dbraw/zinc/91/50/79/786915079.db2.gz HXWSUHPBGIBTFL-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@]2(C)CCNC(=O)C2)CCO1 ZINC001130205210 786919350 /nfs/dbraw/zinc/91/93/50/786919350.db2.gz HXWSUHPBGIBTFL-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130205489 786918764 /nfs/dbraw/zinc/91/87/64/786918764.db2.gz MXPCOMDITJROPN-DOMZBBRYSA-N 1 0 331.413 -1.368 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130205490 786918205 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C[C@]1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCNC(=O)C1 ZINC001130208207 786918097 /nfs/dbraw/zinc/91/80/97/786918097.db2.gz GDJQEAYUBZUQOR-AWEZNQCLSA-N 1 0 325.369 -1.840 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCNC(=O)C1 ZINC001130208208 786918872 /nfs/dbraw/zinc/91/88/72/786918872.db2.gz GDJQEAYUBZUQOR-CQSZACIVSA-N 1 0 325.369 -1.840 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130208367 786917847 /nfs/dbraw/zinc/91/78/47/786917847.db2.gz JOJRPOHQQHQBSF-CYBMUJFWSA-N 1 0 334.442 -1.452 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130208368 786918729 /nfs/dbraw/zinc/91/87/29/786918729.db2.gz JOJRPOHQQHQBSF-ZDUSSCGKSA-N 1 0 334.442 -1.452 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCNC(=O)C1 ZINC001130208651 786918901 /nfs/dbraw/zinc/91/89/01/786918901.db2.gz QFTIQFJJPYSSBV-BLLLJJGKSA-N 1 0 340.424 -1.239 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCNC(=O)C1 ZINC001130208652 786918401 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CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130208838 786918106 /nfs/dbraw/zinc/91/81/06/786918106.db2.gz VUSHXWMIJABNLX-OTYXRUKQSA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130208839 786918284 /nfs/dbraw/zinc/91/82/84/786918284.db2.gz VUSHXWMIJABNLX-XPTSAGLGSA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130208840 786918624 /nfs/dbraw/zinc/91/86/24/786918624.db2.gz VUSHXWMIJABNLX-YMTOWFKASA-N 1 0 327.385 -1.547 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CCNC(=O)C1 ZINC001130208885 786919298 /nfs/dbraw/zinc/91/92/98/786919298.db2.gz WLBQBHOLOGSUFI-HNNXBMFYSA-N 1 0 339.396 -1.450 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CCNC(=O)C1 ZINC001130208886 786919323 /nfs/dbraw/zinc/91/93/23/786919323.db2.gz WLBQBHOLOGSUFI-OAHLLOKOSA-N 1 0 339.396 -1.450 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130209487 786918545 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EAADRO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnco2)n1 ZINC001130224897 786920238 /nfs/dbraw/zinc/92/02/38/786920238.db2.gz HXKXDFTVKAKLIC-IUCAKERBSA-N 1 0 349.351 -1.330 20 0 EAADRO Cn1nnc(CNCCNC(=O)C(C)(C)C[NH+]2CCOCC2)n1 ZINC001130230253 786920701 /nfs/dbraw/zinc/92/07/01/786920701.db2.gz ILMIPKFNNYWELF-UHFFFAOYSA-N 1 0 325.417 -1.226 20 0 EAADRO Cn1nnnc1CNCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230722 786921250 /nfs/dbraw/zinc/92/12/50/786921250.db2.gz SSKJFTJSTHABQU-UHFFFAOYSA-N 1 0 325.417 -1.226 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1)C(N)=O ZINC001130232118 786920123 /nfs/dbraw/zinc/92/01/23/786920123.db2.gz ACTPRSMRHHKGPE-CSMHCCOUSA-N 1 0 339.356 -2.758 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1)C(N)=O ZINC001130232123 786921567 /nfs/dbraw/zinc/92/15/67/786921567.db2.gz ACTPRSMRHHKGPE-FXQIFTODSA-N 1 0 339.356 -2.758 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 ZINC001130232198 786920500 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JMZIZSPTYTZHSS-GUBZILKMSA-N 1 0 340.384 -1.597 20 0 EAADRO CO[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(N)=O)[nH]1 ZINC001130232514 786919766 /nfs/dbraw/zinc/91/97/66/786919766.db2.gz JMZIZSPTYTZHSS-UTLUCORTSA-N 1 0 340.384 -1.597 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130232548 786919951 /nfs/dbraw/zinc/91/99/51/786919951.db2.gz VBVZYNQKPQTNJI-UHFFFAOYSA-N 1 0 331.438 -1.005 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2)N1CCC1 ZINC001130232574 786920065 /nfs/dbraw/zinc/92/00/65/786920065.db2.gz VPUKTXHSLYZLON-UHFFFAOYSA-N 1 0 329.422 -1.251 20 0 EAADRO COCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(N)=O)[nH]1 ZINC001130232624 786919748 /nfs/dbraw/zinc/91/97/48/786919748.db2.gz LFMFWTQFTSVTEH-IUCAKERBSA-N 1 0 326.357 -1.985 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(N)=O)[nH]1 ZINC001130232664 786920307 /nfs/dbraw/zinc/92/03/07/786920307.db2.gz MYYJXEURTPECNQ-CIUDSAMLSA-N 1 0 326.357 -2.251 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(N)=O)[nH]1 ZINC001130232666 786920364 /nfs/dbraw/zinc/92/03/64/786920364.db2.gz MYYJXEURTPECNQ-VGMNWLOBSA-N 1 0 326.357 -2.251 20 0 EAADRO COCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(N)=O)[nH]1 ZINC001130232883 786919927 /nfs/dbraw/zinc/91/99/27/786919927.db2.gz RUTULTUMDBMRIJ-UWVGGRQHSA-N 1 0 340.384 -1.595 20 0 EAADRO NC(=O)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCO)[nH]1 ZINC001130232908 786920337 /nfs/dbraw/zinc/92/03/37/786920337.db2.gz SUSDCMWAVCGYKY-IUCAKERBSA-N 1 0 326.357 -2.249 20 0 EAADRO CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(N)=O)[nH]1 ZINC001130232925 786920685 /nfs/dbraw/zinc/92/06/85/786920685.db2.gz UJVGRBQGZSBWOR-UWVGGRQHSA-N 1 0 340.384 -1.595 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130233690 786921340 /nfs/dbraw/zinc/92/13/40/786921340.db2.gz DEHHVBXZEXQTQE-UHFFFAOYSA-N 1 0 344.437 -1.458 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130233764 786919998 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C[C@@H]([NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)NC(N)=O ZINC001130233807 786920046 /nfs/dbraw/zinc/92/00/46/786920046.db2.gz ITPWLTSMIKQFJN-MRVPVSSYSA-N 1 0 346.409 -1.900 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)NC(N)=O ZINC001130233808 786920874 /nfs/dbraw/zinc/92/08/74/786920874.db2.gz ITPWLTSMIKQFJN-QMMMGPOBSA-N 1 0 346.409 -1.900 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130233934 786920012 /nfs/dbraw/zinc/92/00/12/786920012.db2.gz JLUUMSUNQIYTDX-UHFFFAOYSA-N 1 0 346.409 -2.027 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130233995 786920463 /nfs/dbraw/zinc/92/04/63/786920463.db2.gz MRHIKZYHZAMUEX-UHFFFAOYSA-N 1 0 327.410 -1.154 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130234052 786921077 /nfs/dbraw/zinc/92/10/77/786921077.db2.gz PQPCRCRNZJVKRE-UHFFFAOYSA-N 1 0 338.451 -1.438 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCCNC1=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130234056 786921601 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CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130248395 786923620 /nfs/dbraw/zinc/92/36/20/786923620.db2.gz BJNZWKJAJRCYNB-VIFPVBQESA-N 1 0 338.368 -1.423 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130248415 786922406 /nfs/dbraw/zinc/92/24/06/786922406.db2.gz CHLFWSJDMPJODN-UHFFFAOYSA-N 1 0 345.425 -1.328 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cn2c(n1)COCC2 ZINC001130248452 786923189 /nfs/dbraw/zinc/92/31/89/786923189.db2.gz FJVKSSGXKYDWBS-UHFFFAOYSA-N 1 0 336.352 -1.716 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001130248513 786922527 /nfs/dbraw/zinc/92/25/27/786922527.db2.gz IANVVRMLVPZWSV-UHFFFAOYSA-N 1 0 349.391 -1.712 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130248632 786922382 /nfs/dbraw/zinc/92/23/82/786922382.db2.gz MLRUFUKQDMBJKV-UHFFFAOYSA-N 1 0 331.398 -1.718 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)c1cn2c(n1)COCC2 ZINC001130248638 786922419 /nfs/dbraw/zinc/92/24/19/786922419.db2.gz 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COCCCNC(=O)C[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130250872 786923789 /nfs/dbraw/zinc/92/37/89/786923789.db2.gz PYZMBIVUGHDGEN-UHFFFAOYSA-N 1 0 339.396 -1.115 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130250914 786922666 /nfs/dbraw/zinc/92/26/66/786922666.db2.gz SBGDUJSNZMGAOI-UHFFFAOYSA-N 1 0 338.368 -1.422 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130250980 786923664 /nfs/dbraw/zinc/92/36/64/786923664.db2.gz VJDFPXHFVBWPPK-UHFFFAOYSA-N 1 0 339.396 -1.115 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cn2c(n1)COCC2)S(C)(=O)=O ZINC001130251029 786923555 /nfs/dbraw/zinc/92/35/55/786923555.db2.gz YAHJHWGTNNCDGF-UHFFFAOYSA-N 1 0 345.425 -1.376 20 0 EAADRO O=C(Cn1ccnc1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130251161 786922605 /nfs/dbraw/zinc/92/26/05/786922605.db2.gz FTGCKUXMUSTSPW-RYUDHWBXSA-N 1 0 349.395 -1.228 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001130253060 786923206 /nfs/dbraw/zinc/92/32/06/786923206.db2.gz FNKBVWPUQFDPMI-LLVKDONJSA-N 1 0 333.348 -1.766 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001130253061 786922814 /nfs/dbraw/zinc/92/28/14/786922814.db2.gz FNKBVWPUQFDPMI-NSHDSACASA-N 1 0 333.348 -1.766 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130253117 786923641 /nfs/dbraw/zinc/92/36/41/786923641.db2.gz IAGQEOAJTBUKLX-UHFFFAOYSA-N 1 0 343.409 -2.022 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001130253196 786922736 /nfs/dbraw/zinc/92/27/36/786922736.db2.gz KYXFXTOPILPBGC-UHFFFAOYSA-N 1 0 348.363 -2.019 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130253261 786923446 /nfs/dbraw/zinc/92/34/46/786923446.db2.gz NZTDQBQCIHEHOJ-UHFFFAOYSA-N 1 0 342.421 -1.137 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1)C(=O)NC(N)=O ZINC001130253271 786922727 /nfs/dbraw/zinc/92/27/27/786922727.db2.gz OLGHGPXQOVZCDI-MRVPVSSYSA-N 1 0 336.352 -1.988 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1)C(=O)NC(N)=O ZINC001130253272 786923271 /nfs/dbraw/zinc/92/32/71/786923271.db2.gz OLGHGPXQOVZCDI-QMMMGPOBSA-N 1 0 336.352 -1.988 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)cn1 ZINC001130253303 786923713 /nfs/dbraw/zinc/92/37/13/786923713.db2.gz QHQGOWCYGWYTCN-UHFFFAOYSA-N 1 0 347.375 -1.422 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)cn1 ZINC001130253343 786923225 /nfs/dbraw/zinc/92/32/25/786923225.db2.gz RTZUHPWTNMRURT-CYBMUJFWSA-N 1 0 346.391 -1.314 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)cn1 ZINC001130253344 786922309 /nfs/dbraw/zinc/92/23/09/786922309.db2.gz RTZUHPWTNMRURT-ZDUSSCGKSA-N 1 0 346.391 -1.314 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]CCN2CCNC2=O)cn1 ZINC001130253450 786923634 /nfs/dbraw/zinc/92/36/34/786923634.db2.gz XMELANTUFBESLF-UHFFFAOYSA-N 1 0 334.380 -1.546 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]CCNC(=O)C2CC2)cn1 ZINC001130253460 786923178 /nfs/dbraw/zinc/92/31/78/786923178.db2.gz XUVZDULGXQFDTM-UHFFFAOYSA-N 1 0 333.392 -1.045 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001130261700 786925647 /nfs/dbraw/zinc/92/56/47/786925647.db2.gz JTSWUFZEKARPAA-HLTSFMKQSA-N 1 0 325.287 -1.073 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001130261701 786924657 /nfs/dbraw/zinc/92/46/57/786924657.db2.gz JTSWUFZEKARPAA-YIZRAAEISA-N 1 0 325.287 -1.073 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001130262318 786925662 /nfs/dbraw/zinc/92/56/62/786925662.db2.gz XKZZEYNPEWVJAB-SFYZADRCSA-N 1 0 342.274 -1.767 20 0 EAADRO COCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001130266650 786925273 /nfs/dbraw/zinc/92/52/73/786925273.db2.gz JRZLNXSOPWJHDM-HCKVZZMMSA-N 1 0 340.424 -1.018 20 0 EAADRO COCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001130266651 786924370 /nfs/dbraw/zinc/92/43/70/786924370.db2.gz JRZLNXSOPWJHDM-NVBFEUDRSA-N 1 0 340.424 -1.018 20 0 EAADRO CNC(=O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC)CC1 ZINC001130266903 786924727 /nfs/dbraw/zinc/92/47/27/786924727.db2.gz XPIWYYJGXVTHOD-WBMJQRKESA-N 1 0 340.424 -1.146 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130269566 786925001 /nfs/dbraw/zinc/92/50/01/786925001.db2.gz XEUMLQHHUFATDM-RISCZKNCSA-N 1 0 341.412 -1.878 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130271724 786925381 /nfs/dbraw/zinc/92/53/81/786925381.db2.gz PBCCVJYEDNEQEE-CJNGLKHVSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)nnn2C ZINC001130275254 786924335 /nfs/dbraw/zinc/92/43/35/786924335.db2.gz WDXBXVXLWUJLQU-UHFFFAOYSA-N 1 0 333.352 -1.257 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130278889 786925444 /nfs/dbraw/zinc/92/54/44/786925444.db2.gz IXWURSAOSGOVTE-WBMJQRKESA-N 1 0 340.424 -1.280 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130278973 786925914 /nfs/dbraw/zinc/92/59/14/786925914.db2.gz NVRUMQMVQYECRW-ABAIWWIYSA-N 1 0 326.397 -1.671 20 0 EAADRO COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(N)=O)CC1 ZINC001130278987 786926000 /nfs/dbraw/zinc/92/60/00/786926000.db2.gz OGCPQITXFDJYFS-WBMJQRKESA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(N)=O)CC1 ZINC001130279234 786926376 /nfs/dbraw/zinc/92/63/76/786926376.db2.gz XGLBFLPCANNWQG-IETSOEAISA-N 1 0 340.424 -1.282 20 0 EAADRO C[C@@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(N)=O)CC1 ZINC001130279237 786926446 /nfs/dbraw/zinc/92/64/46/786926446.db2.gz XGLBFLPCANNWQG-SIVJFFJCSA-N 1 0 340.424 -1.282 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+]CCS(C)(=O)=O)n1 ZINC001130286751 786925944 /nfs/dbraw/zinc/92/59/44/786925944.db2.gz GKJIUWYLRYNFLC-UHFFFAOYSA-N 1 0 332.382 -1.142 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+]CCN2CCNC2=O)n1 ZINC001130286996 786925563 /nfs/dbraw/zinc/92/55/63/786925563.db2.gz OGFLCIFIUUVGGG-UHFFFAOYSA-N 1 0 338.368 -1.162 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001130287043 786924486 /nfs/dbraw/zinc/92/44/86/786924486.db2.gz QBLSGPBPNNDVQT-MRVPVSSYSA-N 1 0 337.336 -1.382 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001130287044 786926192 /nfs/dbraw/zinc/92/61/92/786926192.db2.gz QBLSGPBPNNDVQT-QMMMGPOBSA-N 1 0 337.336 -1.382 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nc(OC)cc(OC)n1 ZINC001130287082 786926043 /nfs/dbraw/zinc/92/60/43/786926043.db2.gz QWVJGTKOYTUDTE-UHFFFAOYSA-N 1 0 340.340 -1.731 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001130287124 786925986 /nfs/dbraw/zinc/92/59/86/786925986.db2.gz SRQITBMRVAUAGX-UHFFFAOYSA-N 1 0 326.313 -1.992 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001130287264 786926073 /nfs/dbraw/zinc/92/60/73/786926073.db2.gz XMNNWOBJMFCDOR-UHFFFAOYSA-N 1 0 347.397 -1.638 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130288262 786925289 /nfs/dbraw/zinc/92/52/89/786925289.db2.gz LNMWPTPABBOZRH-WBMJQRKESA-N 1 0 340.424 -1.410 20 0 EAADRO Cn1nnc2cc(C(=O)NCC[NH2+]CCN3C(=O)CNC3=O)ccc21 ZINC001130289031 786925609 /nfs/dbraw/zinc/92/56/09/786925609.db2.gz GSMMPIHTVYZEOT-UHFFFAOYSA-N 1 0 345.363 -1.161 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccc2c(c1)nnn2C)C(=O)NC(N)=O ZINC001130289088 786925033 /nfs/dbraw/zinc/92/50/33/786925033.db2.gz ILEWRVQUESNECW-MRVPVSSYSA-N 1 0 333.352 -1.129 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccc2c(c1)nnn2C)C(=O)NC(N)=O ZINC001130289089 786924918 /nfs/dbraw/zinc/92/49/18/786924918.db2.gz ILEWRVQUESNECW-QMMMGPOBSA-N 1 0 333.352 -1.129 20 0 EAADRO Cn1nnc2cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)ccc21 ZINC001130289841 786925773 /nfs/dbraw/zinc/92/57/73/786925773.db2.gz VIVFYXJYJBRVJT-UHFFFAOYSA-N 1 0 340.409 -1.163 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)n1 ZINC001130291327 786925017 /nfs/dbraw/zinc/92/50/17/786925017.db2.gz DDMKBHZHOOXTQC-SSDOTTSWSA-N 1 0 340.340 -1.603 20 0 EAADRO COc1cc(OC)nc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)n1 ZINC001130291328 786924786 /nfs/dbraw/zinc/92/47/86/786924786.db2.gz DDMKBHZHOOXTQC-ZETCQYMHSA-N 1 0 340.340 -1.603 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130297057 786925096 /nfs/dbraw/zinc/92/50/96/786925096.db2.gz HECOLGAYIKFYJD-GFCCVEGCSA-N 1 0 325.413 -1.865 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130297058 786924379 /nfs/dbraw/zinc/92/43/79/786924379.db2.gz HECOLGAYIKFYJD-LBPRGKRZSA-N 1 0 325.413 -1.865 20 0 EAADRO CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001130298690 786926457 /nfs/dbraw/zinc/92/64/57/786926457.db2.gz BVVVCEMXZVGHIH-OCCSQVGLSA-N 1 0 340.424 -1.016 20 0 EAADRO COCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 ZINC001130298972 786925083 /nfs/dbraw/zinc/92/50/83/786925083.db2.gz PJJSVESWJPHOHL-OCCSQVGLSA-N 1 0 340.424 -1.016 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1Cl ZINC001130299882 786926386 /nfs/dbraw/zinc/92/63/86/786926386.db2.gz CTKFNRVMAFBULA-UHFFFAOYSA-N 1 0 342.787 -1.649 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001130303860 786925863 /nfs/dbraw/zinc/92/58/63/786925863.db2.gz MNMGKOIYGVINCJ-CHWSQXEVSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001130303861 786924545 /nfs/dbraw/zinc/92/45/45/786924545.db2.gz MNMGKOIYGVINCJ-OLZOCXBDSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001130303862 786925884 /nfs/dbraw/zinc/92/58/84/786925884.db2.gz MNMGKOIYGVINCJ-QWHCGFSZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001130303863 786925963 /nfs/dbraw/zinc/92/59/63/786925963.db2.gz MNMGKOIYGVINCJ-STQMWFEESA-N 1 0 340.424 -1.314 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c1Cl ZINC001130304291 786925582 /nfs/dbraw/zinc/92/55/82/786925582.db2.gz ZVDUCLQVXMITPK-UHFFFAOYSA-N 1 0 328.760 -1.055 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130305481 786926285 /nfs/dbraw/zinc/92/62/85/786926285.db2.gz BOMGYGVYEPSAHN-CHWSQXEVSA-N 1 0 341.456 -1.231 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130305482 786925523 /nfs/dbraw/zinc/92/55/23/786925523.db2.gz BOMGYGVYEPSAHN-OLZOCXBDSA-N 1 0 341.456 -1.231 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130305483 786926009 /nfs/dbraw/zinc/92/60/09/786926009.db2.gz BOMGYGVYEPSAHN-QWHCGFSZSA-N 1 0 341.456 -1.231 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C ZINC001130305484 786925483 /nfs/dbraw/zinc/92/54/83/786925483.db2.gz BOMGYGVYEPSAHN-STQMWFEESA-N 1 0 341.456 -1.231 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc(=O)n(C)c1=O ZINC001130305629 786926170 /nfs/dbraw/zinc/92/61/70/786926170.db2.gz HZJTWKJFSFXNOF-CYBMUJFWSA-N 1 0 337.424 -1.226 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc(=O)n(C)c1=O ZINC001130305630 786925313 /nfs/dbraw/zinc/92/53/13/786925313.db2.gz HZJTWKJFSFXNOF-ZDUSSCGKSA-N 1 0 337.424 -1.226 20 0 EAADRO CC(=O)NCC(=O)NCc1ccncc1O[C@H]1CCN(CC(N)=O)C1 ZINC001130310555 786924621 /nfs/dbraw/zinc/92/46/21/786924621.db2.gz NSKBGZVMQBSONA-ZDUSSCGKSA-N 1 0 349.391 -1.228 20 0 EAADRO CNC(=O)CC(=O)NCc1ccncc1O[C@H]1CCN(CC(N)=O)C1 ZINC001130315355 786924430 /nfs/dbraw/zinc/92/44/30/786924430.db2.gz SCBVUKPCPJXVBA-LBPRGKRZSA-N 1 0 349.391 -1.228 20 0 EAADRO O=C(Cn1ncnn1)NCc1ccncc1O[C@H]1CC[N@@H+](CCO)C1 ZINC001130317146 786927629 /nfs/dbraw/zinc/92/76/29/786927629.db2.gz LXPJAVXIOXVLNE-ZDUSSCGKSA-N 1 0 347.379 -1.170 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ncc(F)cc1F)N1CCNC(=O)C1 ZINC001130320440 786925241 /nfs/dbraw/zinc/92/52/41/786925241.db2.gz PIOAZHXVSRXFBX-UHFFFAOYSA-N 1 0 341.318 -1.362 20 0 EAADRO NC(=O)CC(=O)NCc1ccncc1O[C@H]1CCN(CC(N)=O)C1 ZINC001130320937 786925921 /nfs/dbraw/zinc/92/59/21/786925921.db2.gz CRHMRJJYZXSYDV-NSHDSACASA-N 1 0 335.364 -1.488 20 0 EAADRO CNC(=O)CN1CC[C@H](Oc2cnccc2CNC(=O)CC(N)=O)C1 ZINC001130321428 786924508 /nfs/dbraw/zinc/92/45/08/786924508.db2.gz NDXNXLZGHHZJKM-LBPRGKRZSA-N 1 0 349.391 -1.228 20 0 EAADRO C[C@@H](C(N)=O)N1CC[C@H](Oc2cnccc2CNC(=O)CC(N)=O)C1 ZINC001130321825 786924879 /nfs/dbraw/zinc/92/48/79/786924879.db2.gz WLNMMEOQIYIARS-JQWIXIFHSA-N 1 0 349.391 -1.100 20 0 EAADRO C[C@H](C(N)=O)N1CC[C@H](Oc2cnccc2CNC(=O)CC(N)=O)C1 ZINC001130321826 786926342 /nfs/dbraw/zinc/92/63/42/786926342.db2.gz WLNMMEOQIYIARS-PWSUYJOCSA-N 1 0 349.391 -1.100 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)NC(=O)NC1CC1 ZINC001130322909 786927034 /nfs/dbraw/zinc/92/70/34/786927034.db2.gz AFPRVKWIVCYXNF-BDAKNGLRSA-N 1 0 348.425 -1.498 20 0 EAADRO C[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)S(C)(=O)=O ZINC001130322910 786927149 /nfs/dbraw/zinc/92/71/49/786927149.db2.gz AFPRVKWIVCYXNF-DTWKUNHWSA-N 1 0 348.425 -1.498 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)NC(=O)NC1CC1 ZINC001130322911 786928151 /nfs/dbraw/zinc/92/81/51/786928151.db2.gz AFPRVKWIVCYXNF-IUCAKERBSA-N 1 0 348.425 -1.498 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O)C(=O)NC(=O)NC1CC1 ZINC001130322912 786927363 /nfs/dbraw/zinc/92/73/63/786927363.db2.gz AFPRVKWIVCYXNF-RKDXNWHRSA-N 1 0 348.425 -1.498 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCc1cccnc1)S(C)(=O)=O ZINC001130322988 786926985 /nfs/dbraw/zinc/92/69/85/786926985.db2.gz CVBTVDUWNSJRQA-LLVKDONJSA-N 1 0 342.421 -1.163 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCc1cccnc1)S(C)(=O)=O ZINC001130322989 786928270 /nfs/dbraw/zinc/92/82/70/786928270.db2.gz CVBTVDUWNSJRQA-NSHDSACASA-N 1 0 342.421 -1.163 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)S(C)(=O)=O ZINC001130323067 786927974 /nfs/dbraw/zinc/92/79/74/786927974.db2.gz FKWUQEPXFDXCMC-SECBINFHSA-N 1 0 346.409 -2.277 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)S(C)(=O)=O ZINC001130323068 786927648 /nfs/dbraw/zinc/92/76/48/786927648.db2.gz FKWUQEPXFDXCMC-VIFPVBQESA-N 1 0 346.409 -2.277 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC001130323100 786927474 /nfs/dbraw/zinc/92/74/74/786927474.db2.gz GCTMQLDFBKILOB-GHMZBOCLSA-N 1 0 335.426 -1.580 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC001130323101 786927487 /nfs/dbraw/zinc/92/74/87/786927487.db2.gz GCTMQLDFBKILOB-MNOVXSKESA-N 1 0 335.426 -1.580 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC001130323132 786927189 /nfs/dbraw/zinc/92/71/89/786927189.db2.gz GCTMQLDFBKILOB-QWRGUYRKSA-N 1 0 335.426 -1.580 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC001130323134 786927679 /nfs/dbraw/zinc/92/76/79/786927679.db2.gz GCTMQLDFBKILOB-WDEREUQCSA-N 1 0 335.426 -1.580 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)S(C)(=O)=O ZINC001130323168 786927403 /nfs/dbraw/zinc/92/74/03/786927403.db2.gz GRICHZWQZABZKP-SECBINFHSA-N 1 0 334.398 -2.916 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)S(C)(=O)=O ZINC001130323174 786927443 /nfs/dbraw/zinc/92/74/43/786927443.db2.gz GRICHZWQZABZKP-VIFPVBQESA-N 1 0 334.398 -2.916 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130323194 786928283 /nfs/dbraw/zinc/92/82/83/786928283.db2.gz HEBLLPPWDSKWTO-GHMZBOCLSA-N 1 0 337.442 -1.334 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130323196 786927751 /nfs/dbraw/zinc/92/77/51/786927751.db2.gz HEBLLPPWDSKWTO-MNOVXSKESA-N 1 0 337.442 -1.334 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130323198 786928055 /nfs/dbraw/zinc/92/80/55/786928055.db2.gz HEBLLPPWDSKWTO-QWRGUYRKSA-N 1 0 337.442 -1.334 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130323199 786927587 /nfs/dbraw/zinc/92/75/87/786927587.db2.gz HEBLLPPWDSKWTO-WDEREUQCSA-N 1 0 337.442 -1.334 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130323221 786927334 /nfs/dbraw/zinc/92/73/34/786927334.db2.gz HHMWFAZHCBMTES-BDAKNGLRSA-N 1 0 336.414 -1.641 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130323233 786927688 /nfs/dbraw/zinc/92/76/88/786927688.db2.gz HHMWFAZHCBMTES-DTWKUNHWSA-N 1 0 336.414 -1.641 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130323234 786927524 /nfs/dbraw/zinc/92/75/24/786927524.db2.gz HHMWFAZHCBMTES-IUCAKERBSA-N 1 0 336.414 -1.641 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130323236 786927454 /nfs/dbraw/zinc/92/74/54/786927454.db2.gz HHMWFAZHCBMTES-RKDXNWHRSA-N 1 0 336.414 -1.641 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)S(C)(=O)=O ZINC001130323527 786927513 /nfs/dbraw/zinc/92/75/13/786927513.db2.gz KYLWNMLBWPFEEV-JTQLQIEISA-N 1 0 335.426 -1.580 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)S(C)(=O)=O ZINC001130323528 786927265 /nfs/dbraw/zinc/92/72/65/786927265.db2.gz KYLWNMLBWPFEEV-SNVBAGLBSA-N 1 0 335.426 -1.580 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)S(C)(=O)=O ZINC001130323794 786927134 /nfs/dbraw/zinc/92/71/34/786927134.db2.gz NMFSQYYVUAVSTD-SSDOTTSWSA-N 1 0 333.332 -1.196 20 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/nfs/dbraw/zinc/92/84/19/786928419.db2.gz QGKNTRXFENJPSH-SECBINFHSA-N 1 0 336.414 -1.639 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130324057 786927499 /nfs/dbraw/zinc/92/74/99/786927499.db2.gz QGKNTRXFENJPSH-VIFPVBQESA-N 1 0 336.414 -1.639 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)Nc1cnccn1)S(C)(=O)=O ZINC001130324238 786927615 /nfs/dbraw/zinc/92/76/15/786927615.db2.gz VNBLPKFHEQDVRE-SECBINFHSA-N 1 0 329.382 -1.446 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)Nc1cnccn1)S(C)(=O)=O ZINC001130324239 786928106 /nfs/dbraw/zinc/92/81/06/786928106.db2.gz VNBLPKFHEQDVRE-VIFPVBQESA-N 1 0 329.382 -1.446 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)S(C)(=O)=O ZINC001130324270 786927466 /nfs/dbraw/zinc/92/74/66/786927466.db2.gz WARBECORTLRIQM-SECBINFHSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)S(C)(=O)=O ZINC001130324271 786926967 /nfs/dbraw/zinc/92/69/67/786926967.db2.gz WARBECORTLRIQM-VIFPVBQESA-N 1 0 348.425 -1.544 20 0 EAADRO 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CC(C)CS(=O)(=O)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130340031 786933540 /nfs/dbraw/zinc/93/35/40/786933540.db2.gz ZNTODHJIEZAGKM-UHFFFAOYSA-N 1 0 347.437 -1.088 20 0 EAADRO O=C(Cn1cnnn1)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCCO)C1 ZINC001130340911 786933897 /nfs/dbraw/zinc/93/38/97/786933897.db2.gz MMMTVHGPLYAFHA-LLVKDONJSA-N 1 0 334.384 -1.116 20 0 EAADRO O=C(Cn1cnnn1)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCCO)C1 ZINC001130340912 786932820 /nfs/dbraw/zinc/93/28/20/786932820.db2.gz MMMTVHGPLYAFHA-NSHDSACASA-N 1 0 334.384 -1.116 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 ZINC001130342370 786932923 /nfs/dbraw/zinc/93/29/23/786932923.db2.gz HPDMUQPKOUTHDC-GHMZBOCLSA-N 1 0 334.384 -1.117 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 ZINC001130342371 786932278 /nfs/dbraw/zinc/93/22/78/786932278.db2.gz HPDMUQPKOUTHDC-MNOVXSKESA-N 1 0 334.384 -1.117 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 ZINC001130342372 786932798 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MRWDDYRDOGTJAY-ONGXEEELSA-N 1 0 349.395 -1.628 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)C1CCCC1)C(=O)NC(N)=O ZINC001130344102 786932298 /nfs/dbraw/zinc/93/22/98/786932298.db2.gz WYXURQIIHIHBQN-SECBINFHSA-N 1 0 348.425 -1.367 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CS(=O)(=O)C1CCCC1)C(=O)NC(N)=O ZINC001130344103 786931972 /nfs/dbraw/zinc/93/19/72/786931972.db2.gz WYXURQIIHIHBQN-VIFPVBQESA-N 1 0 348.425 -1.367 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc2ccccn2c1=O ZINC001130351475 786933651 /nfs/dbraw/zinc/93/36/51/786933651.db2.gz BLLVJFICXRFEOQ-UHFFFAOYSA-N 1 0 332.320 -1.791 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cnc2ccccn2c1=O ZINC001130351489 786935487 /nfs/dbraw/zinc/93/54/87/786935487.db2.gz BYJXSWIZXQXQMC-LLVKDONJSA-N 1 0 343.343 -1.181 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cnc2ccccn2c1=O ZINC001130351490 786935287 /nfs/dbraw/zinc/93/52/87/786935287.db2.gz BYJXSWIZXQXQMC-NSHDSACASA-N 1 0 343.343 -1.181 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc2ccccn2c1=O 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341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130362053 786933398 /nfs/dbraw/zinc/93/33/98/786933398.db2.gz DKFFUCKACHYUNT-MNOVXSKESA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130362054 786932386 /nfs/dbraw/zinc/93/23/86/786932386.db2.gz DKFFUCKACHYUNT-QWRGUYRKSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130362055 786933332 /nfs/dbraw/zinc/93/33/32/786933332.db2.gz DKFFUCKACHYUNT-WDEREUQCSA-N 1 0 341.412 -1.205 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130362177 786932561 /nfs/dbraw/zinc/93/25/61/786932561.db2.gz IZHXRELYJYOMII-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130362178 786933682 /nfs/dbraw/zinc/93/36/82/786933682.db2.gz IZHXRELYJYOMII-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001130362468 786932372 /nfs/dbraw/zinc/93/23/72/786932372.db2.gz SUZHDKJUYVDLMU-UHFFFAOYSA-N 1 0 347.375 -1.937 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC1=O ZINC001130362572 786932065 /nfs/dbraw/zinc/93/20/65/786932065.db2.gz XDPFNDIWZURVMP-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC1=O ZINC001130362573 786933086 /nfs/dbraw/zinc/93/30/86/786933086.db2.gz XDPFNDIWZURVMP-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)c1 ZINC001130362633 786932258 /nfs/dbraw/zinc/93/22/58/786932258.db2.gz ZMXKOKXTPXYION-UHFFFAOYSA-N 1 0 334.376 -1.036 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC001130363813 786934394 /nfs/dbraw/zinc/93/43/94/786934394.db2.gz GDHWTVTVWBPMDW-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCN(C)C(=O)C2)CCO1 ZINC001130363814 786935184 /nfs/dbraw/zinc/93/51/84/786935184.db2.gz GDHWTVTVWBPMDW-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC001130363815 786935356 /nfs/dbraw/zinc/93/53/56/786935356.db2.gz GDHWTVTVWBPMDW-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCN(C)C(=O)C2)CCO1 ZINC001130363816 786934577 /nfs/dbraw/zinc/93/45/77/786934577.db2.gz GDHWTVTVWBPMDW-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)CC1=O ZINC001130363833 786935324 /nfs/dbraw/zinc/93/53/24/786935324.db2.gz GVCKHJFLTWXIIL-LLVKDONJSA-N 1 0 334.380 -1.011 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)CC1=O ZINC001130363834 786934763 /nfs/dbraw/zinc/93/47/63/786934763.db2.gz GVCKHJFLTWXIIL-NSHDSACASA-N 1 0 334.380 -1.011 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130363901 786934154 /nfs/dbraw/zinc/93/41/54/786934154.db2.gz IJGQARLUIWBETI-CHWSQXEVSA-N 1 0 331.413 -1.416 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130363902 786937183 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ZINC001130381801 786938942 /nfs/dbraw/zinc/93/89/42/786938942.db2.gz NIMKSWLDYXAORU-UHFFFAOYSA-N 1 0 341.412 -1.997 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001130381812 786939325 /nfs/dbraw/zinc/93/93/25/786939325.db2.gz NRXFOHHIZHUMDK-UHFFFAOYSA-N 1 0 327.385 -2.435 20 0 EAADRO COc1cc(C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)ccn1 ZINC001130381817 786939230 /nfs/dbraw/zinc/93/92/30/786939230.db2.gz OAQCTYQSJIVFNM-UHFFFAOYSA-N 1 0 337.380 -1.452 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC001130381828 786939207 /nfs/dbraw/zinc/93/92/07/786939207.db2.gz OYIPQIHULXGODZ-LLVKDONJSA-N 1 0 343.428 -1.895 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC001130381829 786938815 /nfs/dbraw/zinc/93/88/15/786938815.db2.gz OYIPQIHULXGODZ-NSHDSACASA-N 1 0 343.428 -1.895 20 0 EAADRO COc1cc(C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)sn1 ZINC001130381951 786939304 /nfs/dbraw/zinc/93/93/04/786939304.db2.gz PVOOFTNUGDXWQV-UHFFFAOYSA-N 1 0 343.409 -1.390 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)cn1 ZINC001130381968 786938074 /nfs/dbraw/zinc/93/80/74/786938074.db2.gz QKPJYAAQUDVQBY-UHFFFAOYSA-N 1 0 337.380 -1.452 20 0 EAADRO COc1ncccc1C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130381981 786939291 /nfs/dbraw/zinc/93/92/91/786939291.db2.gz REIGIXUARAFCEW-UHFFFAOYSA-N 1 0 337.380 -1.452 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001130382003 786938294 /nfs/dbraw/zinc/93/82/94/786938294.db2.gz SLUYYTZVFMNGMO-LLVKDONJSA-N 1 0 327.385 -2.435 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001130382004 786939390 /nfs/dbraw/zinc/93/93/90/786939390.db2.gz SLUYYTZVFMNGMO-NSHDSACASA-N 1 0 327.385 -2.435 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1c(C)noc1C ZINC001130382023 786939354 /nfs/dbraw/zinc/93/93/54/786939354.db2.gz TVTWNQBXWRQXMO-UHFFFAOYSA-N 1 0 325.369 -1.250 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001130382135 786938508 /nfs/dbraw/zinc/93/85/08/786938508.db2.gz UEBJZNNYRZVXLM-SECBINFHSA-N 1 0 342.318 -1.742 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001130382136 786939347 /nfs/dbraw/zinc/93/93/47/786939347.db2.gz UEBJZNNYRZVXLM-VIFPVBQESA-N 1 0 342.318 -1.742 20 0 EAADRO CCn1cc(CC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)cn1 ZINC001130382141 786938634 /nfs/dbraw/zinc/93/86/34/786938634.db2.gz UFMXFEPMLNAEDJ-UHFFFAOYSA-N 1 0 338.412 -1.596 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1ccccc1 ZINC001130382143 786938882 /nfs/dbraw/zinc/93/88/82/786938882.db2.gz UIRHOKZOPQCEFP-UHFFFAOYSA-N 1 0 349.391 -1.417 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130382153 786938277 /nfs/dbraw/zinc/93/82/77/786938277.db2.gz VBMHCLKZDOROPB-SECBINFHSA-N 1 0 327.341 -3.250 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130382154 786938236 /nfs/dbraw/zinc/93/82/36/786938236.db2.gz VBMHCLKZDOROPB-VIFPVBQESA-N 1 0 327.341 -3.250 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001130382177 786939256 /nfs/dbraw/zinc/93/92/56/786939256.db2.gz WFKMRUDLZMZZEE-UHFFFAOYSA-N 1 0 343.384 -3.197 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001130382185 786938123 /nfs/dbraw/zinc/93/81/23/786938123.db2.gz WLEGDSQJFVPHLM-UHFFFAOYSA-N 1 0 336.392 -1.363 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001130382200 786938013 /nfs/dbraw/zinc/93/80/13/786938013.db2.gz XGWJWRSCHRGWHF-UHFFFAOYSA-N 1 0 329.401 -2.189 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001130382210 786938086 /nfs/dbraw/zinc/93/80/86/786938086.db2.gz XWRAOYVDUNVPRS-UHFFFAOYSA-N 1 0 329.401 -2.141 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)nn1 ZINC001130382215 786939338 /nfs/dbraw/zinc/93/93/38/786939338.db2.gz YEQZGUZTXQAHHI-UHFFFAOYSA-N 1 0 338.368 -2.057 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001130382237 786939246 /nfs/dbraw/zinc/93/92/46/786939246.db2.gz ZFIVRHTVYUMJPN-UHFFFAOYSA-N 1 0 341.412 -2.043 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130382238 786938756 /nfs/dbraw/zinc/93/87/56/786938756.db2.gz ZFWOWCNBOCIDIN-UHFFFAOYSA-N 1 0 325.373 -2.244 20 0 EAADRO O=C(CN1CN=NC1=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130383899 786939928 /nfs/dbraw/zinc/93/99/28/786939928.db2.gz POJVKFBPTIVCOI-JTQLQIEISA-N 1 0 335.368 -1.195 20 0 EAADRO O=C(CN1CN=NC1=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130383900 786940394 /nfs/dbraw/zinc/94/03/94/786940394.db2.gz POJVKFBPTIVCOI-SNVBAGLBSA-N 1 0 335.368 -1.195 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)n1 ZINC001130384301 786939731 /nfs/dbraw/zinc/93/97/31/786939731.db2.gz BGMOYBITVKWHMZ-UHFFFAOYSA-N 1 0 338.368 -2.057 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001130384315 786940736 /nfs/dbraw/zinc/94/07/36/786940736.db2.gz CBONWPBPLPSLAJ-LLVKDONJSA-N 1 0 337.384 -2.277 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001130384316 786940013 /nfs/dbraw/zinc/94/00/13/786940013.db2.gz CBONWPBPLPSLAJ-NSHDSACASA-N 1 0 337.384 -2.277 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCn1nc(C)cc1C ZINC001130384325 786940964 /nfs/dbraw/zinc/94/09/64/786940964.db2.gz CKYFNXBFTPQZMI-UHFFFAOYSA-N 1 0 338.412 -1.542 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001130384326 786939876 /nfs/dbraw/zinc/93/98/76/786939876.db2.gz CQBLLZNBUHYGHY-JTQLQIEISA-N 1 0 341.412 -2.141 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001130384327 786940224 /nfs/dbraw/zinc/94/02/24/786940224.db2.gz CQBLLZNBUHYGHY-SNVBAGLBSA-N 1 0 341.412 -2.141 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001130384330 786940791 /nfs/dbraw/zinc/94/07/91/786940791.db2.gz CTPSUTUBWUWMLX-GFCCVEGCSA-N 1 0 341.412 -2.139 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001130384331 786940588 /nfs/dbraw/zinc/94/05/88/786940588.db2.gz CTPSUTUBWUWMLX-LBPRGKRZSA-N 1 0 341.412 -2.139 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C1=O ZINC001130384336 786940881 /nfs/dbraw/zinc/94/08/81/786940881.db2.gz CZBRWQNUYKXCIX-LLVKDONJSA-N 1 0 327.385 -2.435 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C1=O ZINC001130384337 786940257 /nfs/dbraw/zinc/94/02/57/786940257.db2.gz CZBRWQNUYKXCIX-NSHDSACASA-N 1 0 327.385 -2.435 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C(N)=O ZINC001130384342 786940041 /nfs/dbraw/zinc/94/00/41/786940041.db2.gz DFSMCJZYWDAVDX-LLVKDONJSA-N 1 0 329.401 -2.011 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C(N)=O ZINC001130384343 786940433 /nfs/dbraw/zinc/94/04/33/786940433.db2.gz DFSMCJZYWDAVDX-NSHDSACASA-N 1 0 329.401 -2.011 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130384350 786940445 /nfs/dbraw/zinc/94/04/45/786940445.db2.gz DKFLZGQQAFBFCS-UHFFFAOYSA-N 1 0 337.402 -3.506 20 0 EAADRO CO[C@H](C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C1CCC1 ZINC001130384355 786939865 /nfs/dbraw/zinc/93/98/65/786939865.db2.gz DQIBSDJRRCXYOT-CYBMUJFWSA-N 1 0 328.413 -1.240 20 0 EAADRO CO[C@@H](C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C1CCC1 ZINC001130384356 786940482 /nfs/dbraw/zinc/94/04/82/786940482.db2.gz DQIBSDJRRCXYOT-ZDUSSCGKSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC001130384386 786940488 /nfs/dbraw/zinc/94/04/88/786940488.db2.gz FYNOEWFAXDVZCY-AAEUAGOBSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC001130384387 786940181 /nfs/dbraw/zinc/94/01/81/786940181.db2.gz FYNOEWFAXDVZCY-DGCLKSJQSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC001130384388 786940141 /nfs/dbraw/zinc/94/01/41/786940141.db2.gz FYNOEWFAXDVZCY-WCQYABFASA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC001130384389 786940369 /nfs/dbraw/zinc/94/03/69/786940369.db2.gz FYNOEWFAXDVZCY-YPMHNXCESA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001130384390 786940609 /nfs/dbraw/zinc/94/06/09/786940609.db2.gz FYXLILPIPCGHIB-UHFFFAOYSA-N 1 0 343.428 -1.893 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001130384399 786940301 /nfs/dbraw/zinc/94/03/01/786940301.db2.gz GIYLYNSVPXCRPD-SECBINFHSA-N 1 0 327.385 -2.388 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001130384400 786940799 /nfs/dbraw/zinc/94/07/99/786940799.db2.gz GIYLYNSVPXCRPD-VIFPVBQESA-N 1 0 327.385 -2.388 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCC1CCOCC1 ZINC001130384404 786940409 /nfs/dbraw/zinc/94/04/09/786940409.db2.gz GMNVOPKWPRKGFW-UHFFFAOYSA-N 1 0 328.413 -1.239 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001130384408 786940847 /nfs/dbraw/zinc/94/08/47/786940847.db2.gz GWBGHJKJRDSDCB-LLVKDONJSA-N 1 0 343.428 -1.895 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001130384409 786940680 /nfs/dbraw/zinc/94/06/80/786940680.db2.gz GWBGHJKJRDSDCB-NSHDSACASA-N 1 0 343.428 -1.895 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130384412 786939714 /nfs/dbraw/zinc/93/97/14/786939714.db2.gz HDHIUQZXEMFFCU-UHFFFAOYSA-N 1 0 328.373 -3.030 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCOCC(F)(F)F ZINC001130384427 786940466 /nfs/dbraw/zinc/94/04/66/786940466.db2.gz HOACYVMCEIIHON-UHFFFAOYSA-N 1 0 342.318 -1.477 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384440 786939984 /nfs/dbraw/zinc/93/99/84/786939984.db2.gz IKQQHELPIAFJJH-UHFFFAOYSA-N 1 0 343.428 -1.751 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001130384444 786939846 /nfs/dbraw/zinc/93/98/46/786939846.db2.gz INRKFPXFJXIKEA-GFCCVEGCSA-N 1 0 340.384 -2.798 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001130384445 786940974 /nfs/dbraw/zinc/94/09/74/786940974.db2.gz INRKFPXFJXIKEA-LBPRGKRZSA-N 1 0 340.384 -2.798 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001130384451 786940452 /nfs/dbraw/zinc/94/04/52/786940452.db2.gz IPTJJIBXAWRIQH-UHFFFAOYSA-N 1 0 344.416 -2.348 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384456 786940647 /nfs/dbraw/zinc/94/06/47/786940647.db2.gz IWAJAQZCQJBDCM-GFCCVEGCSA-N 1 0 348.400 -3.032 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384457 786940839 /nfs/dbraw/zinc/94/08/39/786940839.db2.gz IWAJAQZCQJBDCM-LBPRGKRZSA-N 1 0 348.400 -3.032 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001130384469 786940750 /nfs/dbraw/zinc/94/07/50/786940750.db2.gz JIUZXPFCGQUJOL-UHFFFAOYSA-N 1 0 344.803 -1.505 20 0 EAADRO CCOC1CC(C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001130384470 786940811 /nfs/dbraw/zinc/94/08/11/786940811.db2.gz JJKAPNNDGQOAPD-UHFFFAOYSA-N 1 0 328.413 -1.240 20 0 EAADRO CCO[C@H](C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C1CC1 ZINC001130384590 786940417 /nfs/dbraw/zinc/94/04/17/786940417.db2.gz KIPYCRRAPRDURN-CYBMUJFWSA-N 1 0 328.413 -1.240 20 0 EAADRO CCO[C@@H](C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)C1CC1 ZINC001130384591 786940744 /nfs/dbraw/zinc/94/07/44/786940744.db2.gz KIPYCRRAPRDURN-ZDUSSCGKSA-N 1 0 328.413 -1.240 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384599 786940152 /nfs/dbraw/zinc/94/01/52/786940152.db2.gz KTRXBKLCQLGZTJ-MRVPVSSYSA-N 1 0 344.372 -3.211 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384600 786940168 /nfs/dbraw/zinc/94/01/68/786940168.db2.gz KTRXBKLCQLGZTJ-QMMMGPOBSA-N 1 0 344.372 -3.211 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001130384601 786939722 /nfs/dbraw/zinc/93/97/22/786939722.db2.gz KTRXBVYMUHVUCY-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001130384602 786940550 /nfs/dbraw/zinc/94/05/50/786940550.db2.gz KTRXBVYMUHVUCY-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384605 786940561 /nfs/dbraw/zinc/94/05/61/786940561.db2.gz KYKHDFFQLSOKFO-GHMZBOCLSA-N 1 0 343.428 -1.752 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384606 786940695 /nfs/dbraw/zinc/94/06/95/786940695.db2.gz KYKHDFFQLSOKFO-MNOVXSKESA-N 1 0 343.428 -1.752 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384607 786940498 /nfs/dbraw/zinc/94/04/98/786940498.db2.gz KYKHDFFQLSOKFO-QWRGUYRKSA-N 1 0 343.428 -1.752 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384608 786940068 /nfs/dbraw/zinc/94/00/68/786940068.db2.gz KYKHDFFQLSOKFO-WDEREUQCSA-N 1 0 343.428 -1.752 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001130384615 786940207 /nfs/dbraw/zinc/94/02/07/786940207.db2.gz LGHDGFCJUFOPQY-UHFFFAOYSA-N 1 0 340.340 -2.429 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001130384616 786939680 /nfs/dbraw/zinc/93/96/80/786939680.db2.gz LGJBOTWUGSLGIE-CQSZACIVSA-N 1 0 336.392 -1.322 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001130384622 786939910 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CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001130384651 786940598 /nfs/dbraw/zinc/94/05/98/786940598.db2.gz MWSMSZCEPAWSAZ-GFCCVEGCSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001130384652 786940121 /nfs/dbraw/zinc/94/01/21/786940121.db2.gz MWSMSZCEPAWSAZ-LBPRGKRZSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130384653 786940653 /nfs/dbraw/zinc/94/06/53/786940653.db2.gz MXWZABMTTFGZNS-UHFFFAOYSA-N 1 0 327.385 -2.529 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001130384664 786939753 /nfs/dbraw/zinc/93/97/53/786939753.db2.gz NHRGQZMBNLGITC-UHFFFAOYSA-N 1 0 341.412 -2.043 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001130384666 786940722 /nfs/dbraw/zinc/94/07/22/786940722.db2.gz NIKWAQPLJZWIIP-JTQLQIEISA-N 1 0 343.428 -1.752 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001130384667 786940921 /nfs/dbraw/zinc/94/09/21/786940921.db2.gz NIKWAQPLJZWIIP-SNVBAGLBSA-N 1 0 343.428 -1.752 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384672 786940577 /nfs/dbraw/zinc/94/05/77/786940577.db2.gz NVKINCNVHSFSLR-JTQLQIEISA-N 1 0 329.401 -2.141 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384673 786939832 /nfs/dbraw/zinc/93/98/32/786939832.db2.gz NVKINCNVHSFSLR-SNVBAGLBSA-N 1 0 329.401 -2.141 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384676 786940904 /nfs/dbraw/zinc/94/09/04/786940904.db2.gz NXFQFZNYZGITDA-LLVKDONJSA-N 1 0 343.428 -1.751 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384677 786940528 /nfs/dbraw/zinc/94/05/28/786940528.db2.gz NXFQFZNYZGITDA-NSHDSACASA-N 1 0 343.428 -1.751 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001130384781 786940427 /nfs/dbraw/zinc/94/04/27/786940427.db2.gz NZNUIYRWTBTSOZ-UHFFFAOYSA-N 1 0 336.414 -2.621 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ccc2nonc2c1 ZINC001130384790 786940514 /nfs/dbraw/zinc/94/05/14/786940514.db2.gz OHHIDXIZVJHDMB-UHFFFAOYSA-N 1 0 348.363 -1.319 20 0 EAADRO CCc1nnc([C@@H](C)NCCNC(=O)CNC(=O)CNC(C)=O)[nH]1 ZINC001130384795 786940818 /nfs/dbraw/zinc/94/08/18/786940818.db2.gz OOXJENWGAIRTMB-SECBINFHSA-N 1 0 339.400 -1.614 20 0 EAADRO CCc1nnc([C@H](C)NCCNC(=O)CNC(=O)CNC(C)=O)[nH]1 ZINC001130384796 786940241 /nfs/dbraw/zinc/94/02/41/786940241.db2.gz OOXJENWGAIRTMB-VIFPVBQESA-N 1 0 339.400 -1.614 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001130384821 786940030 /nfs/dbraw/zinc/94/00/30/786940030.db2.gz PTYQAJSGIKIMSM-DOMZBBRYSA-N 1 0 326.397 -1.629 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001130384822 786940475 /nfs/dbraw/zinc/94/04/75/786940475.db2.gz PTYQAJSGIKIMSM-IUODEOHRSA-N 1 0 326.397 -1.629 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001130384823 786940640 /nfs/dbraw/zinc/94/06/40/786940640.db2.gz PTYQAJSGIKIMSM-SWLSCSKDSA-N 1 0 326.397 -1.629 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001130384824 786939893 /nfs/dbraw/zinc/93/98/93/786939893.db2.gz PTYQAJSGIKIMSM-WFASDCNBSA-N 1 0 326.397 -1.629 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1snnc1C ZINC001130384842 786942843 /nfs/dbraw/zinc/94/28/43/786942843.db2.gz QRPPHBNNAGZZNZ-UHFFFAOYSA-N 1 0 328.398 -1.695 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H](C)c1cnc(C)cn1 ZINC001130384843 786941858 /nfs/dbraw/zinc/94/18/58/786941858.db2.gz QSBABLPPNLJNQB-LLVKDONJSA-N 1 0 336.396 -1.196 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001130384844 786941400 /nfs/dbraw/zinc/94/14/00/786941400.db2.gz QSBABLPPNLJNQB-NSHDSACASA-N 1 0 336.396 -1.196 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384867 786941697 /nfs/dbraw/zinc/94/16/97/786941697.db2.gz SBTKKHXWIAYERP-LLVKDONJSA-N 1 0 343.428 -1.751 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384868 786942887 /nfs/dbraw/zinc/94/28/87/786942887.db2.gz SBTKKHXWIAYERP-NSHDSACASA-N 1 0 343.428 -1.751 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384873 786942668 /nfs/dbraw/zinc/94/26/68/786942668.db2.gz SJPDKSZVWUGWSW-UHFFFAOYSA-N 1 0 345.400 -2.903 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130384973 786942765 /nfs/dbraw/zinc/94/27/65/786942765.db2.gz SRDQRNJBLLSKTH-UHFFFAOYSA-N 1 0 341.368 -2.907 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001130384975 786941501 /nfs/dbraw/zinc/94/15/01/786941501.db2.gz STDFSUWSLOPHFA-LLVKDONJSA-N 1 0 343.428 -1.800 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001130384977 786942137 /nfs/dbraw/zinc/94/21/37/786942137.db2.gz STDFSUWSLOPHFA-NSHDSACASA-N 1 0 343.428 -1.800 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCc1scnc1C ZINC001130384987 786941869 /nfs/dbraw/zinc/94/18/69/786941869.db2.gz TTWAIFYCACGSKL-UHFFFAOYSA-N 1 0 341.437 -1.048 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cc(C)ns1 ZINC001130384990 786941778 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CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001130385011 786941985 /nfs/dbraw/zinc/94/19/85/786941985.db2.gz VLYRRJSDLIJAOI-ZDUSSCGKSA-N 1 0 328.413 -1.239 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCOCC1CCC1 ZINC001130385024 786941457 /nfs/dbraw/zinc/94/14/57/786941457.db2.gz WNCRPJDRRILCAS-UHFFFAOYSA-N 1 0 328.413 -1.239 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1oc(C)nc1C ZINC001130385032 786942229 /nfs/dbraw/zinc/94/22/29/786942229.db2.gz WXMXGHRYUUJCES-UHFFFAOYSA-N 1 0 325.369 -1.250 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001130385033 786942824 /nfs/dbraw/zinc/94/28/24/786942824.db2.gz WXPWPCPWDCPIPL-UHFFFAOYSA-N 1 0 327.385 -2.433 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130385077 786942291 /nfs/dbraw/zinc/94/22/91/786942291.db2.gz YKFNDNFZJSAOLD-UHFFFAOYSA-N 1 0 342.356 -3.504 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001130385106 786941465 /nfs/dbraw/zinc/94/14/65/786941465.db2.gz YWKCREHNFQDYCM-CYBMUJFWSA-N 1 0 346.428 -2.022 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001130385107 786942834 /nfs/dbraw/zinc/94/28/34/786942834.db2.gz YWKCREHNFQDYCM-ZDUSSCGKSA-N 1 0 346.428 -2.022 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001130385129 786942880 /nfs/dbraw/zinc/94/28/80/786942880.db2.gz ZGFYNOXECOKMTM-LLVKDONJSA-N 1 0 348.425 -2.621 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001130385130 786942507 /nfs/dbraw/zinc/94/25/07/786942507.db2.gz ZGFYNOXECOKMTM-NSHDSACASA-N 1 0 348.425 -2.621 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001130385144 786941847 /nfs/dbraw/zinc/94/18/47/786941847.db2.gz ZPAYBWYQHWUSLY-JTQLQIEISA-N 1 0 336.339 -1.631 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001130385150 786942348 /nfs/dbraw/zinc/94/23/48/786942348.db2.gz ZPAYBWYQHWUSLY-SNVBAGLBSA-N 1 0 336.339 -1.631 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]CCc1ccns1 ZINC001130385158 786942129 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/nfs/dbraw/zinc/94/79/46/786947946.db2.gz CBUYPWKJKGIRNV-SECBINFHSA-N 1 0 340.384 -1.270 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)nc1COC ZINC001130448673 786948147 /nfs/dbraw/zinc/94/81/47/786948147.db2.gz CBUYPWKJKGIRNV-VIFPVBQESA-N 1 0 340.384 -1.270 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(C)nc1COC ZINC001130448693 786948047 /nfs/dbraw/zinc/94/80/47/786948047.db2.gz CZUIJFJBEGAFQC-UHFFFAOYSA-N 1 0 347.441 -1.175 20 0 EAADRO COCc1nn(C)cc1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001130448722 786948000 /nfs/dbraw/zinc/94/80/00/786948000.db2.gz FOSJTIGGBZNTFB-MRVPVSSYSA-N 1 0 326.357 -1.531 20 0 EAADRO COCc1nn(C)cc1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001130448723 786948415 /nfs/dbraw/zinc/94/84/15/786948415.db2.gz FOSJTIGGBZNTFB-QMMMGPOBSA-N 1 0 326.357 -1.531 20 0 EAADRO COCc1nn(C)cc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130449635 786948122 /nfs/dbraw/zinc/94/81/22/786948122.db2.gz XWOJMPLHNLYTQI-UHFFFAOYSA-N 1 0 333.414 -1.565 20 0 EAADRO COCc1nn(C)cc1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130449641 786947643 /nfs/dbraw/zinc/94/76/43/786947643.db2.gz YJAKDKFQUIWOGE-UHFFFAOYSA-N 1 0 338.368 -1.562 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130452483 786949561 /nfs/dbraw/zinc/94/95/61/786949561.db2.gz GCOLRZPAICWKBT-GHMZBOCLSA-N 1 0 349.391 -1.140 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130452484 786949581 /nfs/dbraw/zinc/94/95/81/786949581.db2.gz GCOLRZPAICWKBT-MNOVXSKESA-N 1 0 349.391 -1.140 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130452485 786950254 /nfs/dbraw/zinc/95/02/54/786950254.db2.gz GCOLRZPAICWKBT-QWRGUYRKSA-N 1 0 349.391 -1.140 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130452486 786950332 /nfs/dbraw/zinc/95/03/32/786950332.db2.gz GCOLRZPAICWKBT-WDEREUQCSA-N 1 0 349.391 -1.140 20 0 EAADRO CNS(=O)(=O)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001130452531 786950176 /nfs/dbraw/zinc/95/01/76/786950176.db2.gz HGFGIRMZWWBVQD-JTQLQIEISA-N 1 0 345.425 -1.643 20 0 EAADRO CNS(=O)(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001130452532 786950358 /nfs/dbraw/zinc/95/03/58/786950358.db2.gz HGFGIRMZWWBVQD-SNVBAGLBSA-N 1 0 345.425 -1.643 20 0 EAADRO CCc1nnc(C)cc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130454186 786950497 /nfs/dbraw/zinc/95/04/97/786950497.db2.gz MKKYJDLCOJYWQW-UHFFFAOYSA-N 1 0 348.407 -1.375 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001130456167 786949471 /nfs/dbraw/zinc/94/94/71/786949471.db2.gz GQEOQMMJRKCHGF-UHFFFAOYSA-N 1 0 331.336 -1.014 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnc(N2CCCC2)n1 ZINC001130461970 786950302 /nfs/dbraw/zinc/95/03/02/786950302.db2.gz AVKQYISUMZBHTJ-UHFFFAOYSA-N 1 0 349.395 -1.148 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnc(N2CCCC2)n1 ZINC001130462629 786949424 /nfs/dbraw/zinc/94/94/24/786949424.db2.gz QDJQHYVJLQBTMA-UHFFFAOYSA-N 1 0 335.368 -1.409 20 0 EAADRO COCCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001130464546 786950001 /nfs/dbraw/zinc/95/00/01/786950001.db2.gz DVIBBAIRRFDOAU-LLVKDONJSA-N 1 0 336.396 -1.137 20 0 EAADRO COCCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001130464547 786949704 /nfs/dbraw/zinc/94/97/04/786949704.db2.gz DVIBBAIRRFDOAU-NSHDSACASA-N 1 0 336.396 -1.137 20 0 EAADRO Cc1nnc([C@H]2CN(C(=O)CC[NH+](C)C)CC23CN(CC(N)=O)C3)[nH]1 ZINC001130465061 786949539 /nfs/dbraw/zinc/94/95/39/786949539.db2.gz JZBHUFJTLOQCMO-GFCCVEGCSA-N 1 0 349.439 -1.222 20 0 EAADRO Cc1nnc([C@@H]2CN(C(=O)CC[NH+](C)C)CC23CN(CC(N)=O)C3)[nH]1 ZINC001130465062 786949678 /nfs/dbraw/zinc/94/96/78/786949678.db2.gz JZBHUFJTLOQCMO-LBPRGKRZSA-N 1 0 349.439 -1.222 20 0 EAADRO CCOCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001130466251 786949718 /nfs/dbraw/zinc/94/97/18/786949718.db2.gz VNLVQQRWEKEXHS-LLVKDONJSA-N 1 0 336.396 -1.137 20 0 EAADRO CCOCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001130466252 786949305 /nfs/dbraw/zinc/94/93/05/786949305.db2.gz VNLVQQRWEKEXHS-NSHDSACASA-N 1 0 336.396 -1.137 20 0 EAADRO COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001130466271 786950432 /nfs/dbraw/zinc/95/04/32/786950432.db2.gz VZOUEJIGAIJZKV-WCQYABFASA-N 1 0 344.437 -1.005 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccnc(N2CCCC2)n1)C(=O)NC(N)=O ZINC001130468072 786951049 /nfs/dbraw/zinc/95/10/49/786951049.db2.gz ZFOSYLHXQWCRBO-JTQLQIEISA-N 1 0 349.395 -1.020 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccnc(N2CCCC2)n1)C(=O)NC(N)=O ZINC001130468073 786951963 /nfs/dbraw/zinc/95/19/63/786951963.db2.gz ZFOSYLHXQWCRBO-SNVBAGLBSA-N 1 0 349.395 -1.020 20 0 EAADRO COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001130468289 786951522 /nfs/dbraw/zinc/95/15/22/786951522.db2.gz IPIHSOJBSYRUGP-GXSJLCMTSA-N 1 0 338.368 -1.855 20 0 EAADRO COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001130468822 786951458 /nfs/dbraw/zinc/95/14/58/786951458.db2.gz TVNCCKQBNAWHIK-MBNYWOFBSA-N 1 0 326.397 -1.042 20 0 EAADRO COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001130468823 786950860 /nfs/dbraw/zinc/95/08/60/786950860.db2.gz TVNCCKQBNAWHIK-SGMGOOAPSA-N 1 0 326.397 -1.042 20 0 EAADRO COCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCCO)C1 ZINC001130468987 786951565 /nfs/dbraw/zinc/95/15/65/786951565.db2.gz ZCEKWDJLDHAFMX-GXTWGEPZSA-N 1 0 326.397 -1.041 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C(F)F)C[C@H]2[NH2+]CC(=O)NC(N)=O)c1 ZINC001130470933 786951026 /nfs/dbraw/zinc/95/10/26/786951026.db2.gz HOOGENJDDJSFEA-IONNQARKSA-N 1 0 344.322 -1.236 20 0 EAADRO CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001130473831 786951690 /nfs/dbraw/zinc/95/16/90/786951690.db2.gz FQELVTJUMCBZNY-WCQYABFASA-N 1 0 329.426 -1.127 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C3CC3)C[C@H]2[NH2+]CC(=O)NC(N)=O)c1 ZINC001130474026 786952396 /nfs/dbraw/zinc/95/23/96/786952396.db2.gz JTOLZYKYBXQPOY-CMPLNLGQSA-N 1 0 334.380 -1.091 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1)N1CCNC(=O)C1 ZINC001130477302 786951832 /nfs/dbraw/zinc/95/18/32/786951832.db2.gz CKHOWXPLJYJMAF-GFCCVEGCSA-N 1 0 348.407 -1.890 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1)N1CCNC(=O)C1 ZINC001130477303 786952123 /nfs/dbraw/zinc/95/21/23/786952123.db2.gz CKHOWXPLJYJMAF-LBPRGKRZSA-N 1 0 348.407 -1.890 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130478075 786952217 /nfs/dbraw/zinc/95/22/17/786952217.db2.gz RQGHZCPDMFGYHX-LLVKDONJSA-N 1 0 336.396 -1.003 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130478076 786951132 /nfs/dbraw/zinc/95/11/32/786951132.db2.gz RQGHZCPDMFGYHX-NSHDSACASA-N 1 0 336.396 -1.003 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cn(C)cn1 ZINC001130478865 786951536 /nfs/dbraw/zinc/95/15/36/786951536.db2.gz JIBXGAMYLXHKAY-WCQYABFASA-N 1 0 336.396 -1.814 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130480443 786951810 /nfs/dbraw/zinc/95/18/10/786951810.db2.gz NPXXAKMETSXVQW-SUZMYJTESA-N 1 0 336.396 -1.686 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130480444 786951903 /nfs/dbraw/zinc/95/19/03/786951903.db2.gz NPXXAKMETSXVQW-XHVZSJERSA-N 1 0 336.396 -1.686 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001130480609 786951948 /nfs/dbraw/zinc/95/19/48/786951948.db2.gz XDYCJTSVPZBVML-OUCADQQQSA-N 1 0 348.407 -1.671 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001130480610 786952346 /nfs/dbraw/zinc/95/23/46/786952346.db2.gz XDYCJTSVPZBVML-SGMGOOAPSA-N 1 0 348.407 -1.671 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001130480964 786951785 /nfs/dbraw/zinc/95/17/85/786951785.db2.gz HTSJJOFIEZRYRK-LLVKDONJSA-N 1 0 336.396 -1.003 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130480965 786951994 /nfs/dbraw/zinc/95/19/94/786951994.db2.gz HTSJJOFIEZRYRK-NSHDSACASA-N 1 0 336.396 -1.003 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCn2ccnc2C1)N1CCNC(=O)C1 ZINC001130481366 786951365 /nfs/dbraw/zinc/95/13/65/786951365.db2.gz QNYIKNHUTDZQOX-GFCCVEGCSA-N 1 0 348.407 -1.890 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCn2ccnc2C1)N1CCNC(=O)C1 ZINC001130481367 786952277 /nfs/dbraw/zinc/95/22/77/786952277.db2.gz QNYIKNHUTDZQOX-LBPRGKRZSA-N 1 0 348.407 -1.890 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130481498 786952191 /nfs/dbraw/zinc/95/21/91/786952191.db2.gz UZGGGGRXXREQBF-LLVKDONJSA-N 1 0 329.426 -1.300 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130481499 786952420 /nfs/dbraw/zinc/95/24/20/786952420.db2.gz UZGGGGRXXREQBF-NSHDSACASA-N 1 0 329.426 -1.300 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCc2nccn2C1 ZINC001130481610 786952173 /nfs/dbraw/zinc/95/21/73/786952173.db2.gz XOUWTLQMYWGDDG-LLVKDONJSA-N 1 0 334.380 -1.297 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCc2nccn2C1 ZINC001130481611 786951877 /nfs/dbraw/zinc/95/18/77/786951877.db2.gz XOUWTLQMYWGDDG-NSHDSACASA-N 1 0 334.380 -1.297 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130481666 786951391 /nfs/dbraw/zinc/95/13/91/786951391.db2.gz YLOFLLSPEMHIGK-GHMZBOCLSA-N 1 0 336.396 -1.005 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130481667 786950997 /nfs/dbraw/zinc/95/09/97/786950997.db2.gz YLOFLLSPEMHIGK-MNOVXSKESA-N 1 0 336.396 -1.005 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130481668 786951303 /nfs/dbraw/zinc/95/13/03/786951303.db2.gz YLOFLLSPEMHIGK-QWRGUYRKSA-N 1 0 336.396 -1.005 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130481669 786950932 /nfs/dbraw/zinc/95/09/32/786950932.db2.gz YLOFLLSPEMHIGK-WDEREUQCSA-N 1 0 336.396 -1.005 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001130483975 786952027 /nfs/dbraw/zinc/95/20/27/786952027.db2.gz BKORGXYVKWQKMG-LLVKDONJSA-N 1 0 329.426 -1.300 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130483976 786952452 /nfs/dbraw/zinc/95/24/52/786952452.db2.gz BKORGXYVKWQKMG-NSHDSACASA-N 1 0 329.426 -1.300 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCn2ccnc2C1 ZINC001130484033 786951598 /nfs/dbraw/zinc/95/15/98/786951598.db2.gz CNPGOUFUISEQCR-LLVKDONJSA-N 1 0 334.380 -1.297 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCn2ccnc2C1 ZINC001130484034 786952046 /nfs/dbraw/zinc/95/20/46/786952046.db2.gz CNPGOUFUISEQCR-NSHDSACASA-N 1 0 334.380 -1.297 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001130484311 786951770 /nfs/dbraw/zinc/95/17/70/786951770.db2.gz KHMFFKBAUHVCLD-GHMZBOCLSA-N 1 0 336.396 -1.005 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130484312 786951099 /nfs/dbraw/zinc/95/10/99/786951099.db2.gz KHMFFKBAUHVCLD-MNOVXSKESA-N 1 0 336.396 -1.005 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130484313 786951852 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C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)CO1 ZINC001130511782 786954264 /nfs/dbraw/zinc/95/42/64/786954264.db2.gz GTISPMIZRJYCDE-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)CO1 ZINC001130511783 786954226 /nfs/dbraw/zinc/95/42/26/786954226.db2.gz GTISPMIZRJYCDE-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130513143 786954191 /nfs/dbraw/zinc/95/41/91/786954191.db2.gz QJYOHEJQPRETML-CMPLNLGQSA-N 1 0 325.369 -1.348 20 0 EAADRO CC[C@@H](C)[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130515213 786953926 /nfs/dbraw/zinc/95/39/26/786953926.db2.gz ISYIQEFWSQNJGZ-BXUZGUMPSA-N 1 0 328.413 -1.288 20 0 EAADRO CC[C@H](C)[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130515214 786954237 /nfs/dbraw/zinc/95/42/37/786954237.db2.gz ISYIQEFWSQNJGZ-FZMZJTMJSA-N 1 0 328.413 -1.288 20 0 EAADRO CC[C@@H](C)[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130515215 786953094 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Cn1cnn(CC(=O)NCC[NH2+]CC(=O)NCc2ccccc2)c1=O ZINC001130591068 786961081 /nfs/dbraw/zinc/96/10/81/786961081.db2.gz RCKMKZIQFISWBC-UHFFFAOYSA-N 1 0 346.391 -1.396 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591087 786961425 /nfs/dbraw/zinc/96/14/25/786961425.db2.gz RSLWVPVBTGWUNV-UHFFFAOYSA-N 1 0 341.372 -2.477 20 0 EAADRO Cn1cnn(CC(=O)NCC[NH2+]CC(=O)NCc2ccco2)c1=O ZINC001130591094 786961163 /nfs/dbraw/zinc/96/11/63/786961163.db2.gz RXEXWMZHGWCPFD-UHFFFAOYSA-N 1 0 336.352 -1.803 20 0 EAADRO Cn1cnn(CC(=O)NCC[NH2+]CC(=O)Nc2nccs2)c1=O ZINC001130591100 786961176 /nfs/dbraw/zinc/96/11/76/786961176.db2.gz SHSCTNPTRVVMIT-UHFFFAOYSA-N 1 0 339.381 -1.617 20 0 EAADRO C[C@@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591142 786960975 /nfs/dbraw/zinc/96/09/75/786960975.db2.gz UHOQUTKONPYXIW-GFCCVEGCSA-N 1 0 338.412 -1.311 20 0 EAADRO C[C@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591143 786960814 /nfs/dbraw/zinc/96/08/14/786960814.db2.gz 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COCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cn(C)cn1 ZINC001130593390 786961979 /nfs/dbraw/zinc/96/19/79/786961979.db2.gz ZWVJKGUBCBYNMY-WCQYABFASA-N 1 0 334.384 -1.363 20 0 EAADRO Cn1cnn(CC(=O)NCC[NH2+]Cc2cccc(C(N)=O)c2)c1=O ZINC001130593880 786963010 /nfs/dbraw/zinc/96/30/10/786963010.db2.gz FWIOMTIDYNLKSL-UHFFFAOYSA-N 1 0 332.364 -1.413 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)C(=O)NC(C)(C)C ZINC001130593883 786961962 /nfs/dbraw/zinc/96/19/62/786961962.db2.gz FYXULDHLSYLLAX-JTQLQIEISA-N 1 0 326.401 -1.409 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)C(=O)NC(C)(C)C ZINC001130593884 786962967 /nfs/dbraw/zinc/96/29/67/786962967.db2.gz FYXULDHLSYLLAX-SNVBAGLBSA-N 1 0 326.401 -1.409 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130593887 786963158 /nfs/dbraw/zinc/96/31/58/786963158.db2.gz GCUNLAYBKRMZDX-LLVKDONJSA-N 1 0 342.400 -2.171 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130593888 786962551 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Cn1cnn(CC(=O)NCC[NH2+]CC(=O)NCCC(C)(C)C)c1=O ZINC001130593970 786962426 /nfs/dbraw/zinc/96/24/26/786962426.db2.gz JGZHXUFYXMHYRF-UHFFFAOYSA-N 1 0 340.428 -1.160 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594002 786962919 /nfs/dbraw/zinc/96/29/19/786962919.db2.gz LCVLKEPRRSPOBQ-LLVKDONJSA-N 1 0 326.401 -1.456 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594003 786962836 /nfs/dbraw/zinc/96/28/36/786962836.db2.gz LCVLKEPRRSPOBQ-NSHDSACASA-N 1 0 326.401 -1.456 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O)c1ccccc1 ZINC001130594046 786963255 /nfs/dbraw/zinc/96/32/55/786963255.db2.gz NDUTVOGKDLZZOC-UHFFFAOYSA-N 1 0 346.391 -1.049 20 0 EAADRO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594077 786962847 /nfs/dbraw/zinc/96/28/47/786962847.db2.gz OPRTWGDUQGJUOK-LLVKDONJSA-N 1 0 340.428 -1.019 20 0 EAADRO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594078 786962295 /nfs/dbraw/zinc/96/22/95/786962295.db2.gz OPRTWGDUQGJUOK-NSHDSACASA-N 1 0 340.428 -1.019 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594084 786962812 /nfs/dbraw/zinc/96/28/12/786962812.db2.gz OTJCLXISKNZCCC-LLVKDONJSA-N 1 0 326.401 -1.552 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594085 786963086 /nfs/dbraw/zinc/96/30/86/786963086.db2.gz OTJCLXISKNZCCC-NSHDSACASA-N 1 0 326.401 -1.552 20 0 EAADRO Cn1cnn(CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)c1=O ZINC001130594092 786963194 /nfs/dbraw/zinc/96/31/94/786963194.db2.gz OZBNRBOWGDFPAP-UHFFFAOYSA-N 1 0 339.356 -2.724 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594125 786963218 /nfs/dbraw/zinc/96/32/18/786963218.db2.gz QTBXJHKATOZEIN-LLVKDONJSA-N 1 0 326.401 -1.408 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594126 786962049 /nfs/dbraw/zinc/96/20/49/786962049.db2.gz QTBXJHKATOZEIN-NSHDSACASA-N 1 0 326.401 -1.408 20 0 EAADRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594132 786962565 /nfs/dbraw/zinc/96/25/65/786962565.db2.gz RAGGGBDYWKWRMC-LLVKDONJSA-N 1 0 340.428 -1.019 20 0 EAADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594133 786963103 /nfs/dbraw/zinc/96/31/03/786963103.db2.gz RAGGGBDYWKWRMC-NSHDSACASA-N 1 0 340.428 -1.019 20 0 EAADRO Cn1cnn(CC(=O)NCC[NH2+]CC(=O)Nc2nncs2)c1=O ZINC001130594183 786963150 /nfs/dbraw/zinc/96/31/50/786963150.db2.gz UNDWUWZGCXOTIT-UHFFFAOYSA-N 1 0 340.369 -2.222 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594242 786962412 /nfs/dbraw/zinc/96/24/12/786962412.db2.gz YBBFUIMSICCRRN-UHFFFAOYSA-N 1 0 328.373 -2.560 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594249 786963165 /nfs/dbraw/zinc/96/31/65/786963165.db2.gz YIXVNBCBPQPCPC-GHMZBOCLSA-N 1 0 326.401 -1.409 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594250 786962031 /nfs/dbraw/zinc/96/20/31/786962031.db2.gz YIXVNBCBPQPCPC-MNOVXSKESA-N 1 0 326.401 -1.409 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594251 786962581 /nfs/dbraw/zinc/96/25/81/786962581.db2.gz YIXVNBCBPQPCPC-QWRGUYRKSA-N 1 0 326.401 -1.409 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594252 786962673 /nfs/dbraw/zinc/96/26/73/786962673.db2.gz YIXVNBCBPQPCPC-WDEREUQCSA-N 1 0 326.401 -1.409 20 0 EAADRO Cn1cnn(CC(=O)NCC[NH2+]CCOCC(F)(F)F)c1=O ZINC001130594253 786962935 /nfs/dbraw/zinc/96/29/35/786962935.db2.gz YLVKLSDRVLEQJX-UHFFFAOYSA-N 1 0 325.291 -1.134 20 0 EAADRO Cc1nc2ccnn2c(C)c1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130594258 786962211 /nfs/dbraw/zinc/96/22/11/786962211.db2.gz YVLPZMQNIHGVEE-UHFFFAOYSA-N 1 0 333.352 -1.140 20 0 EAADRO CC(C)CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594279 786962604 /nfs/dbraw/zinc/96/26/04/786962604.db2.gz ZNZFTSMSVQTIIJ-GFCCVEGCSA-N 1 0 340.428 -1.162 20 0 EAADRO CC(C)CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130594280 786963134 /nfs/dbraw/zinc/96/31/34/786963134.db2.gz ZNZFTSMSVQTIIJ-LBPRGKRZSA-N 1 0 340.428 -1.162 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)NC(N)=O ZINC001130594475 786962596 /nfs/dbraw/zinc/96/25/96/786962596.db2.gz KDCSTLJDAOYFLQ-GMXVVIOVSA-N 1 0 338.412 -1.257 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)NC(N)=O ZINC001130594476 786962194 /nfs/dbraw/zinc/96/21/94/786962194.db2.gz KDCSTLJDAOYFLQ-NTZNESFSSA-N 1 0 338.412 -1.257 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnc2ccccn21)N1CCNC(=O)C1 ZINC001130596178 786962273 /nfs/dbraw/zinc/96/22/73/786962273.db2.gz SGHJNGDXDXDCGN-UHFFFAOYSA-N 1 0 344.375 -1.388 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2[NH2+]CCCO)c1 ZINC001130600276 786961346 /nfs/dbraw/zinc/96/13/46/786961346.db2.gz AYRRMCHXBJAXGA-GXTWGEPZSA-N 1 0 333.396 -1.022 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1 ZINC001130600867 786961279 /nfs/dbraw/zinc/96/12/79/786961279.db2.gz PHTSMHOYRFQXQD-WCQYABFASA-N 1 0 346.395 -1.658 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130604680 786964663 /nfs/dbraw/zinc/96/46/63/786964663.db2.gz IWOLPPYXPZKAAF-GXSJLCMTSA-N 1 0 337.384 -2.282 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001130604741 786964718 /nfs/dbraw/zinc/96/47/18/786964718.db2.gz LNSZDTCVRLLQDV-GMXVVIOVSA-N 1 0 338.412 -1.386 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001130604742 786964482 /nfs/dbraw/zinc/96/44/82/786964482.db2.gz LNSZDTCVRLLQDV-NTZNESFSSA-N 1 0 338.412 -1.386 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130604807 786964214 /nfs/dbraw/zinc/96/42/14/786964214.db2.gz OVDOTFALHNXJQT-WCQYABFASA-N 1 0 338.412 -1.385 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130605039 786964366 /nfs/dbraw/zinc/96/43/66/786964366.db2.gz WEZUQWATIYLPPN-WCQYABFASA-N 1 0 338.412 -1.121 20 0 EAADRO CCc1cnccc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130607529 786963754 /nfs/dbraw/zinc/96/37/54/786963754.db2.gz FUBDKIZXMWGDJV-UHFFFAOYSA-N 1 0 333.392 -1.078 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001130611449 786962699 /nfs/dbraw/zinc/96/26/99/786962699.db2.gz BSHTVAGFDJXIIN-KBPBESRZSA-N 1 0 342.440 -1.604 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001130611450 786962640 /nfs/dbraw/zinc/96/26/40/786962640.db2.gz BSHTVAGFDJXIIN-UONOGXRCSA-N 1 0 342.440 -1.604 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC ZINC001130611478 786962719 /nfs/dbraw/zinc/96/27/19/786962719.db2.gz CEMWQJOYIQFPPI-CYBMUJFWSA-N 1 0 330.429 -1.434 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC ZINC001130611479 786962202 /nfs/dbraw/zinc/96/22/02/786962202.db2.gz CEMWQJOYIQFPPI-ZDUSSCGKSA-N 1 0 330.429 -1.434 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001130611492 786963031 /nfs/dbraw/zinc/96/30/31/786963031.db2.gz CPGDYIACGSWSTA-KBPBESRZSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001130611493 786962241 /nfs/dbraw/zinc/96/22/41/786962241.db2.gz CPGDYIACGSWSTA-KGLIPLIRSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001130611494 786963063 /nfs/dbraw/zinc/96/30/63/786963063.db2.gz CPGDYIACGSWSTA-UONOGXRCSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001130611495 786962071 /nfs/dbraw/zinc/96/20/71/786962071.db2.gz CPGDYIACGSWSTA-ZIAGYGMSSA-N 1 0 342.440 -1.292 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC ZINC001130611523 786963123 /nfs/dbraw/zinc/96/31/23/786963123.db2.gz DJTVFNQSVZUHFG-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC ZINC001130611524 786962659 /nfs/dbraw/zinc/96/26/59/786962659.db2.gz DJTVFNQSVZUHFG-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001130611695 786962464 /nfs/dbraw/zinc/96/24/64/786962464.db2.gz GJNRLDSEIHBTGW-AWEZNQCLSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001130611696 786962224 /nfs/dbraw/zinc/96/22/24/786962224.db2.gz GJNRLDSEIHBTGW-CQSZACIVSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001130611980 786963205 /nfs/dbraw/zinc/96/32/05/786963205.db2.gz KVXJQTZQDMKHED-GFCCVEGCSA-N 1 0 336.458 -1.696 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001130611981 786962944 /nfs/dbraw/zinc/96/29/44/786962944.db2.gz KVXJQTZQDMKHED-LBPRGKRZSA-N 1 0 336.458 -1.696 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001130612018 786962876 /nfs/dbraw/zinc/96/28/76/786962876.db2.gz LGLAUKZLRHVDIG-GFCCVEGCSA-N 1 0 336.396 -1.158 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001130612019 786962160 /nfs/dbraw/zinc/96/21/60/786962160.db2.gz LGLAUKZLRHVDIG-LBPRGKRZSA-N 1 0 336.396 -1.158 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001130612057 786962439 /nfs/dbraw/zinc/96/24/39/786962439.db2.gz LRABGGCBDYXSLZ-CYBMUJFWSA-N 1 0 330.429 -1.434 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001130612058 786963073 /nfs/dbraw/zinc/96/30/73/786963073.db2.gz LRABGGCBDYXSLZ-ZDUSSCGKSA-N 1 0 330.429 -1.434 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001130612247 786962336 /nfs/dbraw/zinc/96/23/36/786962336.db2.gz OTTXXHMHGLRZFI-GFCCVEGCSA-N 1 0 341.412 -1.599 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001130612251 786963172 /nfs/dbraw/zinc/96/31/72/786963172.db2.gz OTTXXHMHGLRZFI-LBPRGKRZSA-N 1 0 341.412 -1.599 20 0 EAADRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001130612338 786962373 /nfs/dbraw/zinc/96/23/73/786962373.db2.gz QAKKQVIGGZOJBP-JTQLQIEISA-N 1 0 342.425 -1.097 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001130612342 786963272 /nfs/dbraw/zinc/96/32/72/786963272.db2.gz QAKKQVIGGZOJBP-SNVBAGLBSA-N 1 0 342.425 -1.097 20 0 EAADRO 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Cc1nnc2ccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)cn12 ZINC001130640117 786964594 /nfs/dbraw/zinc/96/45/94/786964594.db2.gz LIZWUDGSZOEASZ-UHFFFAOYSA-N 1 0 340.409 -1.094 20 0 EAADRO Cc1nnc2ccc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)cn12 ZINC001130640191 786964073 /nfs/dbraw/zinc/96/40/73/786964073.db2.gz OIFZEQDSUVNAJR-MRVPVSSYSA-N 1 0 333.352 -1.059 20 0 EAADRO Cc1nnc2ccc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)cn12 ZINC001130640192 786964734 /nfs/dbraw/zinc/96/47/34/786964734.db2.gz OIFZEQDSUVNAJR-QMMMGPOBSA-N 1 0 333.352 -1.059 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2nnc(C)n2c1 ZINC001130640372 786964492 /nfs/dbraw/zinc/96/44/92/786964492.db2.gz XUABPPFZBABIHR-UHFFFAOYSA-N 1 0 333.352 -1.187 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cn(C)cn1 ZINC001130642264 786966060 /nfs/dbraw/zinc/96/60/60/786966060.db2.gz IFWMAEWSWHGGJY-GMXVVIOVSA-N 1 0 348.407 -1.814 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cn(C)cn1 ZINC001130642265 786965484 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COCCOC[C@H](O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130642789 786965819 /nfs/dbraw/zinc/96/58/19/786965819.db2.gz DCGGHSDMTARPST-SECBINFHSA-N 1 0 327.328 -1.903 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130642790 786965677 /nfs/dbraw/zinc/96/56/77/786965677.db2.gz DCGGHSDMTARPST-VIFPVBQESA-N 1 0 327.328 -1.903 20 0 EAADRO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)NCC(F)F ZINC001130642823 786966382 /nfs/dbraw/zinc/96/63/82/786966382.db2.gz FIRZLVADGIYCNM-UHFFFAOYSA-N 1 0 341.380 -1.102 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)C(=O)NCC(F)F)CC1 ZINC001130642866 786965739 /nfs/dbraw/zinc/96/57/39/786965739.db2.gz GNVIFIGBZDYLAX-UHFFFAOYSA-N 1 0 341.380 -1.102 20 0 EAADRO O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)NCC(F)F ZINC001130642908 786965992 /nfs/dbraw/zinc/96/59/92/786965992.db2.gz IAGLSKDRRFKBLD-SECBINFHSA-N 1 0 341.380 -1.102 20 0 EAADRO O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)NCC(F)F ZINC001130642909 786965923 /nfs/dbraw/zinc/96/59/23/786965923.db2.gz 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786966262 /nfs/dbraw/zinc/96/62/62/786966262.db2.gz PWMQKHFHKDJTAA-UHFFFAOYSA-N 1 0 329.369 -1.102 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)C(=O)NCC(F)F)CS(C)(=O)=O ZINC001130643145 786965572 /nfs/dbraw/zinc/96/55/72/786965572.db2.gz RBPHQAKFZQSCPP-MRVPVSSYSA-N 1 0 329.369 -1.246 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)C(=O)NCC(F)F)CS(C)(=O)=O ZINC001130643146 786965385 /nfs/dbraw/zinc/96/53/85/786965385.db2.gz RBPHQAKFZQSCPP-QMMMGPOBSA-N 1 0 329.369 -1.246 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130643152 786965247 /nfs/dbraw/zinc/96/52/47/786965247.db2.gz REBQAJRPBFFWHP-UHFFFAOYSA-N 1 0 330.357 -1.987 20 0 EAADRO CN(CC[NH2+]CCNC(=O)C(=O)NCC(F)F)S(C)(=O)=O ZINC001130643159 786966104 /nfs/dbraw/zinc/96/61/04/786966104.db2.gz RLOBDGBGYNIRBM-UHFFFAOYSA-N 1 0 330.357 -2.035 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130643183 786966006 /nfs/dbraw/zinc/96/60/06/786966006.db2.gz SPAQUHNOWBOAIN-UHFFFAOYSA-N 1 0 344.384 -1.645 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130643224 786966051 /nfs/dbraw/zinc/96/60/51/786966051.db2.gz VEGGBSPDZSNKDW-NXEZZACHSA-N 1 0 341.355 -1.514 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130643225 786966283 /nfs/dbraw/zinc/96/62/83/786966283.db2.gz VEGGBSPDZSNKDW-UWVGGRQHSA-N 1 0 341.355 -1.514 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130643226 786965908 /nfs/dbraw/zinc/96/59/08/786965908.db2.gz VEGGBSPDZSNKDW-VHSXEESVSA-N 1 0 341.355 -1.514 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130643227 786965842 /nfs/dbraw/zinc/96/58/42/786965842.db2.gz VEGGBSPDZSNKDW-ZJUUUORDSA-N 1 0 341.355 -1.514 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)NCC(F)F ZINC001130643231 786966313 /nfs/dbraw/zinc/96/63/13/786966313.db2.gz VLVOCDNJDQNIIH-SECBINFHSA-N 1 0 341.380 -1.102 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)NCC(F)F ZINC001130643232 786965871 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CN(C)Cc1cc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)no1 ZINC001130645594 786965275 /nfs/dbraw/zinc/96/52/75/786965275.db2.gz QEEXACGYLRSNMK-UHFFFAOYSA-N 1 0 347.441 -1.053 20 0 EAADRO CN(C)Cc1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)no1 ZINC001130648240 786963613 /nfs/dbraw/zinc/96/36/13/786963613.db2.gz KRVHSTZWBHFLTI-UHFFFAOYSA-N 1 0 338.368 -1.393 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(CN(C)C)on1 ZINC001130648458 786964440 /nfs/dbraw/zinc/96/44/40/786964440.db2.gz OJMFRFQELNCXRS-SECBINFHSA-N 1 0 340.384 -1.100 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(CN(C)C)on1 ZINC001130648459 786964605 /nfs/dbraw/zinc/96/46/05/786964605.db2.gz OJMFRFQELNCXRS-VIFPVBQESA-N 1 0 340.384 -1.100 20 0 EAADRO CN(C)Cc1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)no1 ZINC001130648504 786963667 /nfs/dbraw/zinc/96/36/67/786963667.db2.gz PDCXQAMYUWSCIK-UHFFFAOYSA-N 1 0 333.414 -1.395 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(CN(C)C)on1 ZINC001130648512 786963800 /nfs/dbraw/zinc/96/38/00/786963800.db2.gz 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787004799 /nfs/dbraw/zinc/00/47/99/787004799.db2.gz SSRIVBSCXJLAEB-SSDOTTSWSA-N 1 0 344.397 -1.348 20 0 EAADRO Cc1nnc(COCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)s1 ZINC001130892229 787004264 /nfs/dbraw/zinc/00/42/64/787004264.db2.gz SSRIVBSCXJLAEB-ZETCQYMHSA-N 1 0 344.397 -1.348 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001130892322 787004101 /nfs/dbraw/zinc/00/41/01/787004101.db2.gz XBTXSSOVCYWHKV-UHFFFAOYSA-N 1 0 345.363 -1.128 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130893114 787004234 /nfs/dbraw/zinc/00/42/34/787004234.db2.gz BLFSBLWBSDVHGL-UHFFFAOYSA-N 1 0 331.398 -2.007 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)cn1C ZINC001130893185 787005232 /nfs/dbraw/zinc/00/52/32/787005232.db2.gz DZIHGZSDMYBLII-MRVPVSSYSA-N 1 0 338.368 -1.713 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)cn1C ZINC001130893186 787005464 /nfs/dbraw/zinc/00/54/64/787005464.db2.gz DZIHGZSDMYBLII-QMMMGPOBSA-N 1 0 338.368 -1.713 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001130893452 787004435 /nfs/dbraw/zinc/00/44/35/787004435.db2.gz HBMZFTRVFMARGO-GFCCVEGCSA-N 1 0 334.380 -1.299 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001130893454 787005292 /nfs/dbraw/zinc/00/52/92/787005292.db2.gz HBMZFTRVFMARGO-LBPRGKRZSA-N 1 0 334.380 -1.299 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130893700 787005530 /nfs/dbraw/zinc/00/55/30/787005530.db2.gz LXMBIJTUIFCDTN-MVWJERBFSA-N 1 0 336.396 -1.686 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130893701 787005564 /nfs/dbraw/zinc/00/55/64/787005564.db2.gz LXMBIJTUIFCDTN-YUSALJHKSA-N 1 0 336.396 -1.686 20 0 EAADRO Cn1cc(C(N)=O)cc1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130893792 787004406 /nfs/dbraw/zinc/00/44/06/787004406.db2.gz LTGHUIOYZBEXIT-UHFFFAOYSA-N 1 0 335.364 -1.408 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(C(N)=O)cn1C ZINC001130893856 787004881 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CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cncn1C ZINC001130897915 787004545 /nfs/dbraw/zinc/00/45/45/787004545.db2.gz RIDFXFHINCHEGX-VXGBXAGGSA-N 1 0 349.391 -1.062 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cncn1C ZINC001130900752 787004595 /nfs/dbraw/zinc/00/45/95/787004595.db2.gz KLJNVOFHYIOPKR-UHFFFAOYSA-N 1 0 347.441 -1.305 20 0 EAADRO Cn1cncc1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001130900762 787004042 /nfs/dbraw/zinc/00/40/42/787004042.db2.gz KYUGZOQZMHQHTD-UHFFFAOYSA-N 1 0 336.396 -1.537 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)N(C)C(=O)C2 ZINC001130901013 787004572 /nfs/dbraw/zinc/00/45/72/787004572.db2.gz POTVJYUMPVHKPI-UHFFFAOYSA-N 1 0 347.375 -1.020 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cncn2C)CC1 ZINC001130901412 787004858 /nfs/dbraw/zinc/00/48/58/787004858.db2.gz VTDPTZGBNBJRDF-UHFFFAOYSA-N 1 0 336.396 -1.570 20 0 EAADRO CN1c2cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)ccc2CC1=O ZINC001130901481 787005118 /nfs/dbraw/zinc/00/51/18/787005118.db2.gz YHWMASSJVUGNCV-UHFFFAOYSA-N 1 0 333.348 -1.280 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cncn1C ZINC001130902687 787004632 /nfs/dbraw/zinc/00/46/32/787004632.db2.gz AEWWICRRSWJKHF-VXGBXAGGSA-N 1 0 334.384 -1.363 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cncn1C ZINC001130902720 787004739 /nfs/dbraw/zinc/00/47/39/787004739.db2.gz BLUZLQZRCRYDCL-GHMZBOCLSA-N 1 0 347.383 -2.263 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cncn1C ZINC001130903122 787005413 /nfs/dbraw/zinc/00/54/13/787005413.db2.gz UMYWCIVNRHZLJJ-CHWSQXEVSA-N 1 0 345.407 -1.053 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]CCCO ZINC001130903200 787004014 /nfs/dbraw/zinc/00/40/14/787004014.db2.gz YNSHZTPEZKWQHB-VXGBXAGGSA-N 1 0 334.384 -1.627 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1cncn1C ZINC001130903719 787004658 /nfs/dbraw/zinc/00/46/58/787004658.db2.gz WELJUTZCEGZHBY-UHFFFAOYSA-N 1 0 338.412 -1.276 20 0 EAADRO Cn1cncc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001130903729 787004930 /nfs/dbraw/zinc/00/49/30/787004930.db2.gz WLTABQTXMWPCBI-LLVKDONJSA-N 1 0 336.396 -1.537 20 0 EAADRO Cn1cncc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001130903730 787005635 /nfs/dbraw/zinc/00/56/35/787005635.db2.gz WLTABQTXMWPCBI-NSHDSACASA-N 1 0 336.396 -1.537 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncn1C ZINC001130903797 787004907 /nfs/dbraw/zinc/00/49/07/787004907.db2.gz ZDKWFFQYVUOTFV-JTQLQIEISA-N 1 0 340.384 -1.400 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncn1C ZINC001130903798 787005075 /nfs/dbraw/zinc/00/50/75/787005075.db2.gz ZDKWFFQYVUOTFV-SNVBAGLBSA-N 1 0 340.384 -1.400 20 0 EAADRO Cn1cncc1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001130903818 787005380 /nfs/dbraw/zinc/00/53/80/787005380.db2.gz ZXETTWIFFTZIKN-UHFFFAOYSA-N 1 0 336.396 -1.522 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001130905936 787004833 /nfs/dbraw/zinc/00/48/33/787004833.db2.gz GGEBCZBMLMGCOJ-GMTAPVOTSA-N 1 0 349.395 -2.139 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001130905939 787005348 /nfs/dbraw/zinc/00/53/48/787005348.db2.gz GGEBCZBMLMGCOJ-OUAUKWLOSA-N 1 0 349.395 -2.139 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cncn1C ZINC001130906059 787004074 /nfs/dbraw/zinc/00/40/74/787004074.db2.gz JIRWTYBZAOPGGD-NXEZZACHSA-N 1 0 337.384 -2.282 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cncn1C)C(N)=O ZINC001130906119 787005259 /nfs/dbraw/zinc/00/52/59/787005259.db2.gz LQGZZUGNSQSJHU-IVZWLZJFSA-N 1 0 337.384 -2.154 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cncn1C)C(N)=O ZINC001130906120 787004322 /nfs/dbraw/zinc/00/43/22/787004322.db2.gz LQGZZUGNSQSJHU-OPRDCNLKSA-N 1 0 337.384 -2.154 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccc2ncnn21)N1CCNC(=O)C1 ZINC001130906160 787004489 /nfs/dbraw/zinc/00/44/89/787004489.db2.gz GRDDHFKYPMXQFI-UHFFFAOYSA-N 1 0 345.363 -1.993 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc2ncnn21 ZINC001130906308 787004702 /nfs/dbraw/zinc/00/47/02/787004702.db2.gz MFSPYAPKUKPQML-UHFFFAOYSA-N 1 0 333.352 -1.106 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccc2ncnn21)N1CCOCC1 ZINC001130906552 787004530 /nfs/dbraw/zinc/00/45/30/787004530.db2.gz TWFBPNAXOJUXKH-UHFFFAOYSA-N 1 0 332.364 -1.093 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cccc2ncnn21)S(C)(=O)=O ZINC001130906761 787005193 /nfs/dbraw/zinc/00/51/93/787005193.db2.gz YPIJHSDEOBTWDG-UHFFFAOYSA-N 1 0 340.409 -1.060 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cccc2ncnn21 ZINC001130908116 787004187 /nfs/dbraw/zinc/00/41/87/787004187.db2.gz GTHMTMBZBRGBOV-UHFFFAOYSA-N 1 0 326.382 -1.402 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc2ncnn21 ZINC001130908351 787004295 /nfs/dbraw/zinc/00/42/95/787004295.db2.gz NKLFHSGRCIOGPP-SECBINFHSA-N 1 0 333.352 -1.107 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc2ncnn21 ZINC001130908352 787005436 /nfs/dbraw/zinc/00/54/36/787005436.db2.gz NKLFHSGRCIOGPP-VIFPVBQESA-N 1 0 333.352 -1.107 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cccc2ncnn21 ZINC001130908368 787005488 /nfs/dbraw/zinc/00/54/88/787005488.db2.gz NXKUKBZGXRFOKW-UHFFFAOYSA-N 1 0 331.336 -1.400 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001130908611 787004164 /nfs/dbraw/zinc/00/41/64/787004164.db2.gz KVLDRZUXLKBYIZ-MVWJERBFSA-N 1 0 336.396 -1.686 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001130908612 787005597 /nfs/dbraw/zinc/00/55/97/787005597.db2.gz KVLDRZUXLKBYIZ-YUSALJHKSA-N 1 0 336.396 -1.686 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1cccc2ncnn21 ZINC001130908793 787005375 /nfs/dbraw/zinc/00/53/75/787005375.db2.gz YTAGWYKVIVGZQQ-UHFFFAOYSA-N 1 0 345.363 -1.009 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cccc2ncnn21 ZINC001130908801 787005327 /nfs/dbraw/zinc/00/53/27/787005327.db2.gz YYTVSNUPBPLCOJ-UHFFFAOYSA-N 1 0 340.409 -1.012 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001130915637 787006580 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CN(CC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)S(C)(=O)=O ZINC001130938414 787005958 /nfs/dbraw/zinc/00/59/58/787005958.db2.gz KETQOHQDIANAIE-UHFFFAOYSA-N 1 0 347.397 -2.454 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001130938449 787006909 /nfs/dbraw/zinc/00/69/09/787006909.db2.gz LVYIIAPWXJTLSI-MRVPVSSYSA-N 1 0 338.286 -1.032 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001130938450 787005950 /nfs/dbraw/zinc/00/59/50/787005950.db2.gz LVYIIAPWXJTLSI-QMMMGPOBSA-N 1 0 338.286 -1.032 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001130938658 787005911 /nfs/dbraw/zinc/00/59/11/787005911.db2.gz POPCKZYWOIMWIS-JTQLQIEISA-N 1 0 344.393 -1.911 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001130938659 787006387 /nfs/dbraw/zinc/00/63/87/787006387.db2.gz POPCKZYWOIMWIS-SNVBAGLBSA-N 1 0 344.393 -1.911 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001130938671 787006781 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C[C@H](NC(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001130940697 787006477 /nfs/dbraw/zinc/00/64/77/787006477.db2.gz ANHSBRZSKDGHOZ-JTQLQIEISA-N 1 0 337.380 -1.431 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001130940698 787006954 /nfs/dbraw/zinc/00/69/54/787006954.db2.gz ANHSBRZSKDGHOZ-SNVBAGLBSA-N 1 0 337.380 -1.431 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130940765 787006699 /nfs/dbraw/zinc/00/66/99/787006699.db2.gz CSEWXPFDPZUFQY-UHFFFAOYSA-N 1 0 325.369 -1.573 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccon1 ZINC001130940778 787007237 /nfs/dbraw/zinc/00/72/37/787007237.db2.gz DKFVZPMEECPQOR-UHFFFAOYSA-N 1 0 336.308 -1.719 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NC(N)=O ZINC001130940781 787005934 /nfs/dbraw/zinc/00/59/34/787005934.db2.gz DRDAZTIMGFCMJU-SSDOTTSWSA-N 1 0 326.313 -2.762 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NC(N)=O ZINC001130940782 787006720 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CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130940923 787006896 /nfs/dbraw/zinc/00/68/96/787006896.db2.gz GCXBOCJGUWBUOF-QMMMGPOBSA-N 1 0 340.340 -2.501 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130940926 787006002 /nfs/dbraw/zinc/00/60/02/787006002.db2.gz GFWYHCWOGCQJOB-LLVKDONJSA-N 1 0 339.396 -1.041 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130940927 787007036 /nfs/dbraw/zinc/00/70/36/787007036.db2.gz GFWYHCWOGCQJOB-NSHDSACASA-N 1 0 339.396 -1.041 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001130940939 787006611 /nfs/dbraw/zinc/00/66/11/787006611.db2.gz HDMDUVISKNWSAI-GFCCVEGCSA-N 1 0 349.391 -1.192 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001130940940 787006940 /nfs/dbraw/zinc/00/69/40/787006940.db2.gz HDMDUVISKNWSAI-LBPRGKRZSA-N 1 0 349.391 -1.192 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001130940962 787006994 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CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941302 787005889 /nfs/dbraw/zinc/00/58/89/787005889.db2.gz OBQREFPXLGNXGW-UHFFFAOYSA-N 1 0 347.397 -2.406 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130941421 787007271 /nfs/dbraw/zinc/00/72/71/787007271.db2.gz OZSXKQVUHFVXEC-UHFFFAOYSA-N 1 0 337.336 -2.196 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941438 787006764 /nfs/dbraw/zinc/00/67/64/787006764.db2.gz PUUDAPSWAHKVDG-LLVKDONJSA-N 1 0 339.396 -1.185 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941439 787007288 /nfs/dbraw/zinc/00/72/88/787007288.db2.gz PUUDAPSWAHKVDG-NSHDSACASA-N 1 0 339.396 -1.185 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001130941450 787007051 /nfs/dbraw/zinc/00/70/51/787007051.db2.gz QKJDXQXQXCHJGT-JTQLQIEISA-N 1 0 325.369 -1.301 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001130941451 787006813 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CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941635 787008891 /nfs/dbraw/zinc/00/88/91/787008891.db2.gz VBEWREJSNHMSAH-LBPRGKRZSA-N 1 0 342.396 -1.312 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941648 787009332 /nfs/dbraw/zinc/00/93/32/787009332.db2.gz VPBWSEFUKZOGLN-JTQLQIEISA-N 1 0 325.369 -1.431 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941649 787008491 /nfs/dbraw/zinc/00/84/91/787008491.db2.gz VPBWSEFUKZOGLN-SNVBAGLBSA-N 1 0 325.369 -1.431 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NC(C)(C)C ZINC001130941654 787008688 /nfs/dbraw/zinc/00/86/88/787008688.db2.gz VWERRDFYVMYDLV-JTQLQIEISA-N 1 0 339.396 -1.042 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NC(C)(C)C ZINC001130941655 787007936 /nfs/dbraw/zinc/00/79/36/787007936.db2.gz VWERRDFYVMYDLV-SNVBAGLBSA-N 1 0 339.396 -1.042 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001130941682 787008082 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339.396 -1.042 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941703 787008208 /nfs/dbraw/zinc/00/82/08/787008208.db2.gz YABIWSHSLBWROL-WDEREUQCSA-N 1 0 339.396 -1.042 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941725 787008118 /nfs/dbraw/zinc/00/81/18/787008118.db2.gz YUSBJVMVKZZNIO-LLVKDONJSA-N 1 0 339.396 -1.090 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941730 787008545 /nfs/dbraw/zinc/00/85/45/787008545.db2.gz YUSBJVMVKZZNIO-NSHDSACASA-N 1 0 339.396 -1.090 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941738 787009189 /nfs/dbraw/zinc/00/91/89/787009189.db2.gz ZAZYALUVVAKNRW-UHFFFAOYSA-N 1 0 346.409 -1.521 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001130941752 787008266 /nfs/dbraw/zinc/00/82/66/787008266.db2.gz ZTHWCSUULXZONB-LLVKDONJSA-N 1 0 337.380 -1.336 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O 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CC(C)N(C)C(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944693 787009307 /nfs/dbraw/zinc/00/93/07/787009307.db2.gz XRSRYRSGIUPMEW-UHFFFAOYSA-N 1 0 325.369 -1.479 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001130944711 787007989 /nfs/dbraw/zinc/00/79/89/787007989.db2.gz YHYCAGFEHRPBGV-UHFFFAOYSA-N 1 0 334.336 -1.347 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944712 787009232 /nfs/dbraw/zinc/00/92/32/787009232.db2.gz YIAPAIZUQCDMMU-UHFFFAOYSA-N 1 0 341.368 -2.193 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)c(C)n1 ZINC001130944725 787008009 /nfs/dbraw/zinc/00/80/09/787008009.db2.gz ZFYMAOGCUYRBFY-UHFFFAOYSA-N 1 0 348.363 -1.038 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)NCc1ccco1 ZINC001130944732 787009042 /nfs/dbraw/zinc/00/90/42/787009042.db2.gz ZLOWHJYTIHNWGF-UHFFFAOYSA-N 1 0 349.347 -1.436 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944737 787007846 /nfs/dbraw/zinc/00/78/46/787007846.db2.gz ZRGUHNYHYAJVDF-JTQLQIEISA-N 1 0 325.369 -1.431 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944738 787009217 /nfs/dbraw/zinc/00/92/17/787009217.db2.gz ZRGUHNYHYAJVDF-SNVBAGLBSA-N 1 0 325.369 -1.431 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946088 787008173 /nfs/dbraw/zinc/00/81/73/787008173.db2.gz JLWCIHSCPNDXIU-IJLUTSLNSA-N 1 0 339.396 -1.813 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946089 787009067 /nfs/dbraw/zinc/00/90/67/787009067.db2.gz JLWCIHSCPNDXIU-QJPTWQEYSA-N 1 0 339.396 -1.813 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946123 787009258 /nfs/dbraw/zinc/00/92/58/787009258.db2.gz KMUXKQDHTSMEFR-GMTAPVOTSA-N 1 0 336.396 -1.686 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946124 787008469 /nfs/dbraw/zinc/00/84/69/787008469.db2.gz KMUXKQDHTSMEFR-HBNTYKKESA-N 1 0 336.396 -1.686 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946261 787008990 /nfs/dbraw/zinc/00/89/90/787008990.db2.gz NWHASBKJDALYFV-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CCOCCO ZINC001130946338 787008181 /nfs/dbraw/zinc/00/81/81/787008181.db2.gz PQMCXVVWNVNITC-VXGBXAGGSA-N 1 0 339.396 -1.812 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946416 787009276 /nfs/dbraw/zinc/00/92/76/787009276.db2.gz UAKAETDWGFAKJW-GHMZBOCLSA-N 1 0 336.396 -1.732 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001130946446 787008445 /nfs/dbraw/zinc/00/84/45/787008445.db2.gz VEWTZWFKNKMBDF-VXGBXAGGSA-N 1 0 348.407 -1.542 20 0 EAADRO COc1ccc(NC(=O)C(=O)NCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001130947031 787008303 /nfs/dbraw/zinc/00/83/03/787008303.db2.gz HSSQWWKRKPPZHR-UHFFFAOYSA-N 1 0 337.336 -1.466 20 0 EAADRO COCCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001130951944 787008138 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CCc1nnsc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130972144 787009842 /nfs/dbraw/zinc/00/98/42/787009842.db2.gz FBBFLSQCIVNPGI-UHFFFAOYSA-N 1 0 340.409 -1.622 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130973144 787009584 /nfs/dbraw/zinc/00/95/84/787009584.db2.gz REZNXCZFCOWOEX-GMTAPVOTSA-N 1 0 336.396 -1.686 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130973145 787010492 /nfs/dbraw/zinc/01/04/92/787010492.db2.gz REZNXCZFCOWOEX-HBNTYKKESA-N 1 0 336.396 -1.686 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001130973214 787011209 /nfs/dbraw/zinc/01/12/09/787011209.db2.gz VFGFSKGCKZMVKY-GRYCIOLGSA-N 1 0 348.407 -1.671 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001130973215 787010897 /nfs/dbraw/zinc/01/08/97/787010897.db2.gz VFGFSKGCKZMVKY-IJLUTSLNSA-N 1 0 348.407 -1.671 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 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GMNZOCOQODKEAT-UHFFFAOYSA-N 1 0 327.385 -1.320 20 0 EAADRO NC(=O)NCCCCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001130976759 787011273 /nfs/dbraw/zinc/01/12/73/787011273.db2.gz JWLQFNYSAQXZMB-GFCCVEGCSA-N 1 0 326.401 -1.212 20 0 EAADRO NC(=O)NCCCCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001130976760 787010110 /nfs/dbraw/zinc/01/01/10/787010110.db2.gz JWLQFNYSAQXZMB-LBPRGKRZSA-N 1 0 326.401 -1.212 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C ZINC001130980315 787010392 /nfs/dbraw/zinc/01/03/92/787010392.db2.gz HKTYLPJWSOGLDI-GHMZBOCLSA-N 1 0 346.395 -1.508 20 0 EAADRO CNC(=O)NCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001130982759 787009967 /nfs/dbraw/zinc/00/99/67/787009967.db2.gz FPRJDXSCPOYQQB-VXGBXAGGSA-N 1 0 338.412 -1.385 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]CCCO ZINC001130985222 787012880 /nfs/dbraw/zinc/01/28/80/787012880.db2.gz DLUJTTSPINBHHP-IJLUTSLNSA-N 1 0 337.380 -1.205 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]CCCO ZINC001130985223 787012899 /nfs/dbraw/zinc/01/28/99/787012899.db2.gz DLUJTTSPINBHHP-UTUOFQBUSA-N 1 0 337.380 -1.205 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001130988039 787010022 /nfs/dbraw/zinc/01/00/22/787010022.db2.gz YRJGNFIOOOFATF-GFCCVEGCSA-N 1 0 349.453 -1.330 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001130988040 787010783 /nfs/dbraw/zinc/01/07/83/787010783.db2.gz YRJGNFIOOOFATF-LBPRGKRZSA-N 1 0 349.453 -1.330 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCCO ZINC001130988688 787010723 /nfs/dbraw/zinc/01/07/23/787010723.db2.gz JTOHISOZKVQWEL-VXGBXAGGSA-N 1 0 334.384 -1.627 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)NC(N)=O ZINC001130988754 787010077 /nfs/dbraw/zinc/01/00/77/787010077.db2.gz MRABDEVEWYECFW-IJLUTSLNSA-N 1 0 338.412 -1.257 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)NC(N)=O ZINC001130988755 787010226 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COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001131000894 787011885 /nfs/dbraw/zinc/01/18/85/787011885.db2.gz IITBFVDVEJMNTA-LLVKDONJSA-N 1 0 335.426 -1.720 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131000895 787012704 /nfs/dbraw/zinc/01/27/04/787012704.db2.gz IITBFVDVEJMNTA-NSHDSACASA-N 1 0 335.426 -1.720 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001131001006 787012510 /nfs/dbraw/zinc/01/25/10/787012510.db2.gz LURCDYLTAZUUEQ-GFCCVEGCSA-N 1 0 337.380 -1.511 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001131001007 787011932 /nfs/dbraw/zinc/01/19/32/787011932.db2.gz LURCDYLTAZUUEQ-LBPRGKRZSA-N 1 0 337.380 -1.511 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001131001128 787011941 /nfs/dbraw/zinc/01/19/41/787011941.db2.gz PLZAZGVIPZCETD-SECBINFHSA-N 1 0 334.398 -2.027 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131001129 787011575 /nfs/dbraw/zinc/01/15/75/787011575.db2.gz PLZAZGVIPZCETD-VIFPVBQESA-N 1 0 334.398 -2.027 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001131001194 787011712 /nfs/dbraw/zinc/01/17/12/787011712.db2.gz RNWSSOBZFLYPKB-GFCCVEGCSA-N 1 0 331.438 -1.005 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131001195 787013039 /nfs/dbraw/zinc/01/30/39/787013039.db2.gz RNWSSOBZFLYPKB-LBPRGKRZSA-N 1 0 331.438 -1.005 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 ZINC001131001243 787013056 /nfs/dbraw/zinc/01/30/56/787013056.db2.gz UIJOWSVBFIYKSF-LLVKDONJSA-N 1 0 333.410 -2.014 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCOCC1 ZINC001131001244 787012430 /nfs/dbraw/zinc/01/24/30/787012430.db2.gz UIJOWSVBFIYKSF-NSHDSACASA-N 1 0 333.410 -2.014 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC001131001265 787011959 /nfs/dbraw/zinc/01/19/59/787011959.db2.gz VFGCIEOSNGZNPU-JTQLQIEISA-N 1 0 341.455 -1.982 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC001131001266 787012838 /nfs/dbraw/zinc/01/28/38/787012838.db2.gz VFGCIEOSNGZNPU-SNVBAGLBSA-N 1 0 341.455 -1.982 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cnccn1 ZINC001131001272 787011765 /nfs/dbraw/zinc/01/17/65/787011765.db2.gz VNKVHYMNQCXOPJ-JTQLQIEISA-N 1 0 341.393 -1.444 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cnccn1 ZINC001131001273 787012359 /nfs/dbraw/zinc/01/23/59/787012359.db2.gz VNKVHYMNQCXOPJ-SNVBAGLBSA-N 1 0 341.393 -1.444 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001131001315 787011625 /nfs/dbraw/zinc/01/16/25/787011625.db2.gz WRLVGEVIOZUTAM-NXEZZACHSA-N 1 0 348.425 -1.639 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131001316 787012728 /nfs/dbraw/zinc/01/27/28/787012728.db2.gz WRLVGEVIOZUTAM-UWVGGRQHSA-N 1 0 348.425 -1.639 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001131001317 787012409 /nfs/dbraw/zinc/01/24/09/787012409.db2.gz WRLVGEVIOZUTAM-VHSXEESVSA-N 1 0 348.425 -1.639 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131001318 787012125 /nfs/dbraw/zinc/01/21/25/787012125.db2.gz WRLVGEVIOZUTAM-ZJUUUORDSA-N 1 0 348.425 -1.639 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1)NCC(F)(F)F ZINC001131001379 787011501 /nfs/dbraw/zinc/01/15/01/787011501.db2.gz YOSOWCQQPGZHGC-MRVPVSSYSA-N 1 0 345.343 -1.195 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1)NCC(F)(F)F ZINC001131001380 787013144 /nfs/dbraw/zinc/01/31/44/787013144.db2.gz YOSOWCQQPGZHGC-QMMMGPOBSA-N 1 0 345.343 -1.195 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CCCO1 ZINC001131001392 787013077 /nfs/dbraw/zinc/01/30/77/787013077.db2.gz YZLYRDMEMKMSEW-NEPJUHHUSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1)NC[C@H]1CCCO1 ZINC001131001393 787012953 /nfs/dbraw/zinc/01/29/53/787012953.db2.gz YZLYRDMEMKMSEW-NWDGAFQWSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1)NC[C@@H]1CCCO1 ZINC001131001394 787012020 /nfs/dbraw/zinc/01/20/20/787012020.db2.gz YZLYRDMEMKMSEW-RYUDHWBXSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CCCO1 ZINC001131001395 787011645 /nfs/dbraw/zinc/01/16/45/787011645.db2.gz YZLYRDMEMKMSEW-VXGBXAGGSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCNC(=O)C1 ZINC001131001419 787012936 /nfs/dbraw/zinc/01/29/36/787012936.db2.gz ZOUXTHSIFVBXOS-JTQLQIEISA-N 1 0 346.409 -2.915 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCNC(=O)C1 ZINC001131001420 787012520 /nfs/dbraw/zinc/01/25/20/787012520.db2.gz ZOUXTHSIFVBXOS-SNVBAGLBSA-N 1 0 346.409 -2.915 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131003333 787011743 /nfs/dbraw/zinc/01/17/43/787011743.db2.gz DHEBEXUBQWJOEU-NXEZZACHSA-N 1 0 337.384 -2.282 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003644 787012765 /nfs/dbraw/zinc/01/27/65/787012765.db2.gz NHLSIRFMJXSMHC-VXGBXAGGSA-N 1 0 338.412 -1.121 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cnc2sccn2c1=O ZINC001131005282 787012541 /nfs/dbraw/zinc/01/25/41/787012541.db2.gz DHQLRMLLKDPJJQ-SECBINFHSA-N 1 0 349.372 -1.119 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cnc2sccn2c1=O ZINC001131005283 787012581 /nfs/dbraw/zinc/01/25/81/787012581.db2.gz DHQLRMLLKDPJJQ-VIFPVBQESA-N 1 0 349.372 -1.119 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc2sccn2c1=O ZINC001131005394 787011696 /nfs/dbraw/zinc/01/16/96/787011696.db2.gz HKUCLAUXHNZWEU-UHFFFAOYSA-N 1 0 338.349 -1.730 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131007770 787012349 /nfs/dbraw/zinc/01/23/49/787012349.db2.gz KQVMFFZQBBJFBS-VXGBXAGGSA-N 1 0 338.412 -1.385 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001131008252 787014216 /nfs/dbraw/zinc/01/42/16/787014216.db2.gz YZCXTRVREVLRMS-IJLUTSLNSA-N 1 0 338.412 -1.386 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001131008253 787013970 /nfs/dbraw/zinc/01/39/70/787013970.db2.gz YZCXTRVREVLRMS-QJPTWQEYSA-N 1 0 338.412 -1.386 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131008588 787011911 /nfs/dbraw/zinc/01/19/11/787011911.db2.gz VEYXWCCEMQZUNV-GFCCVEGCSA-N 1 0 343.428 -1.364 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131008589 787013015 /nfs/dbraw/zinc/01/30/15/787013015.db2.gz VEYXWCCEMQZUNV-LBPRGKRZSA-N 1 0 343.428 -1.364 20 0 EAADRO NC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001131010748 787014010 /nfs/dbraw/zinc/01/40/10/787014010.db2.gz BBHXDANNKHGYQY-LLVKDONJSA-N 1 0 349.395 -1.088 20 0 EAADRO NC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001131010749 787016206 /nfs/dbraw/zinc/01/62/06/787016206.db2.gz BBHXDANNKHGYQY-NSHDSACASA-N 1 0 349.395 -1.088 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)S(C)(=O)=O ZINC001131011103 787015724 /nfs/dbraw/zinc/01/57/24/787015724.db2.gz NVEZJVYHYUXOKU-LLVKDONJSA-N 1 0 349.457 -1.626 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1)S(C)(=O)=O ZINC001131011104 787016310 /nfs/dbraw/zinc/01/63/10/787016310.db2.gz NVEZJVYHYUXOKU-NSHDSACASA-N 1 0 349.457 -1.626 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131011199 787016483 /nfs/dbraw/zinc/01/64/83/787016483.db2.gz QWJLJCKFTRQUTM-JTQLQIEISA-N 1 0 342.400 -1.671 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131011200 787016256 /nfs/dbraw/zinc/01/62/56/787016256.db2.gz QWJLJCKFTRQUTM-SNVBAGLBSA-N 1 0 342.400 -1.671 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131011311 787016729 /nfs/dbraw/zinc/01/67/29/787016729.db2.gz VCXGFJFINPEICE-GFCCVEGCSA-N 1 0 343.428 -1.364 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131011312 787015567 /nfs/dbraw/zinc/01/55/67/787015567.db2.gz VCXGFJFINPEICE-LBPRGKRZSA-N 1 0 343.428 -1.364 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131011337 787016187 /nfs/dbraw/zinc/01/61/87/787016187.db2.gz WDKXIASVZGTRSH-SECBINFHSA-N 1 0 328.373 -2.062 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131011338 787016288 /nfs/dbraw/zinc/01/62/88/787016288.db2.gz WDKXIASVZGTRSH-VIFPVBQESA-N 1 0 328.373 -2.062 20 0 EAADRO NC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001131011434 787015819 /nfs/dbraw/zinc/01/58/19/787015819.db2.gz YPHZGRXWLCVKNK-GFCCVEGCSA-N 1 0 341.412 -1.658 20 0 EAADRO NC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001131011435 787016161 /nfs/dbraw/zinc/01/61/61/787016161.db2.gz YPHZGRXWLCVKNK-LBPRGKRZSA-N 1 0 341.412 -1.658 20 0 EAADRO CC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001131013691 787016682 /nfs/dbraw/zinc/01/66/82/787016682.db2.gz CJNKBLPZSASMDA-CYBMUJFWSA-N 1 0 348.469 -1.158 20 0 EAADRO CC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001131013692 787015590 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COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cncn1C ZINC001131057342 787017474 /nfs/dbraw/zinc/01/74/74/787017474.db2.gz DMDIBIPGBFAXKY-GRYCIOLGSA-N 1 0 336.396 -1.368 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cncn1C ZINC001131057343 787017564 /nfs/dbraw/zinc/01/75/64/787017564.db2.gz DMDIBIPGBFAXKY-IJLUTSLNSA-N 1 0 336.396 -1.368 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]CCCO ZINC001131057389 787018269 /nfs/dbraw/zinc/01/82/69/787018269.db2.gz GTPADLQKJIALHP-GRYCIOLGSA-N 1 0 336.396 -1.632 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]CCCO ZINC001131057390 787018145 /nfs/dbraw/zinc/01/81/45/787018145.db2.gz GTPADLQKJIALHP-IJLUTSLNSA-N 1 0 336.396 -1.632 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cncn1C ZINC001131057678 787017951 /nfs/dbraw/zinc/01/79/51/787017951.db2.gz SEZCNCJGICWRJE-GMTAPVOTSA-N 1 0 349.395 -2.269 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cncn1C ZINC001131057679 787018072 /nfs/dbraw/zinc/01/80/72/787018072.db2.gz SEZCNCJGICWRJE-OUAUKWLOSA-N 1 0 349.395 -2.269 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131059642 787016959 /nfs/dbraw/zinc/01/69/59/787016959.db2.gz BVVZOHWBILQXHV-GMTAPVOTSA-N 1 0 325.369 -2.203 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131059643 787018390 /nfs/dbraw/zinc/01/83/90/787018390.db2.gz BVVZOHWBILQXHV-HBNTYKKESA-N 1 0 325.369 -2.203 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCOCCO ZINC001131059686 787018127 /nfs/dbraw/zinc/01/81/27/787018127.db2.gz DGTRAIDMVJGKHC-GHMZBOCLSA-N 1 0 325.369 -2.202 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131059689 787018606 /nfs/dbraw/zinc/01/86/06/787018606.db2.gz DKMVFHHGCYRYKA-GHMZBOCLSA-N 1 0 336.396 -1.686 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001131059756 787017858 /nfs/dbraw/zinc/01/78/58/787017858.db2.gz HLKOJOUDUMGKTI-VXGBXAGGSA-N 1 0 348.407 -1.684 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C)C1CC1 ZINC001131059766 787018486 /nfs/dbraw/zinc/01/84/86/787018486.db2.gz HTTFRZZOJQHBEQ-VXGBXAGGSA-N 1 0 348.407 -1.590 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001131059811 787017441 /nfs/dbraw/zinc/01/74/41/787017441.db2.gz JVYJVZSRQABVGC-GHMZBOCLSA-N 1 0 334.380 -1.932 20 0 EAADRO COCCOCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131059882 787016936 /nfs/dbraw/zinc/01/69/36/787016936.db2.gz NSLWOXGJZSVTMN-VXGBXAGGSA-N 1 0 339.396 -1.548 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131059911 787018015 /nfs/dbraw/zinc/01/80/15/787018015.db2.gz OWKVBGMZOJKHFB-GHMZBOCLSA-N 1 0 336.396 -1.732 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001131059979 787017706 /nfs/dbraw/zinc/01/77/06/787017706.db2.gz SEBNUZRHEDZCHT-VXGBXAGGSA-N 1 0 348.407 -1.684 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131060002 787017655 /nfs/dbraw/zinc/01/76/55/787017655.db2.gz UKNFGRLSFPZUCT-GHMZBOCLSA-N 1 0 336.396 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001131060006 787018293 /nfs/dbraw/zinc/01/82/93/787018293.db2.gz UMMYULHYVWCSGY-HTQZYQBOSA-N 1 0 337.340 -3.016 20 0 EAADRO COc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001131060074 787017835 /nfs/dbraw/zinc/01/78/35/787017835.db2.gz CNMULEYKCJEWGY-UHFFFAOYSA-N 1 0 335.364 -1.632 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C)C(=O)N(C)C ZINC001131060185 787017551 /nfs/dbraw/zinc/01/75/51/787017551.db2.gz YGGCHWRNGQSLOG-GMTAPVOTSA-N 1 0 336.396 -1.734 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C)C(=O)N(C)C ZINC001131060186 787018357 /nfs/dbraw/zinc/01/83/57/787018357.db2.gz YGGCHWRNGQSLOG-HBNTYKKESA-N 1 0 336.396 -1.734 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1[NH2+]CCCO ZINC001131061441 787017744 /nfs/dbraw/zinc/01/77/44/787017744.db2.gz DPWJKRNELZUPJG-VXGBXAGGSA-N 1 0 335.408 -1.048 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cncn1C ZINC001131061604 787017791 /nfs/dbraw/zinc/01/77/91/787017791.db2.gz HSWPPYUXLQAKAQ-GHMZBOCLSA-N 1 0 348.407 -1.684 20 0 EAADRO NC(=O)COc1ccccc1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131062166 787017571 /nfs/dbraw/zinc/01/75/71/787017571.db2.gz ADGDFPQCPGAMEU-UHFFFAOYSA-N 1 0 337.336 -1.935 20 0 EAADRO NC(=O)COc1ccccc1C(=O)NCC[NH2+]CCOCCO ZINC001131062190 787017919 /nfs/dbraw/zinc/01/79/19/787017919.db2.gz AYZJGGDBHAEKTQ-UHFFFAOYSA-N 1 0 325.365 -1.121 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1ccccc1OCC(N)=O ZINC001131062230 787018574 /nfs/dbraw/zinc/01/85/74/787018574.db2.gz CRPMHNGYMPOJIS-UHFFFAOYSA-N 1 0 343.405 -1.085 20 0 EAADRO NC(=O)COc1ccccc1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131062462 787017493 /nfs/dbraw/zinc/01/74/93/787017493.db2.gz MYYHBWJOVGTSLF-LLVKDONJSA-N 1 0 348.359 -1.325 20 0 EAADRO NC(=O)COc1ccccc1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131062463 787018156 /nfs/dbraw/zinc/01/81/56/787018156.db2.gz MYYHBWJOVGTSLF-NSHDSACASA-N 1 0 348.359 -1.325 20 0 EAADRO NC(=O)COc1ccccc1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001131062510 787017004 /nfs/dbraw/zinc/01/70/04/787017004.db2.gz OKXRNUJFJFUSDK-UHFFFAOYSA-N 1 0 349.391 -1.105 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)c1ccccc1OCC(N)=O ZINC001131062584 787018407 /nfs/dbraw/zinc/01/84/07/787018407.db2.gz SBZQMAILLHWZKE-LLVKDONJSA-N 1 0 325.365 -1.123 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)c1ccccc1OCC(N)=O ZINC001131062585 787017937 /nfs/dbraw/zinc/01/79/37/787017937.db2.gz SBZQMAILLHWZKE-NSHDSACASA-N 1 0 325.365 -1.123 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC001131064079 787019631 /nfs/dbraw/zinc/01/96/31/787019631.db2.gz HJYJYYILODRRHG-UHFFFAOYSA-N 1 0 348.407 -1.197 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C)C(=O)NC1CC1 ZINC001131064807 787020404 /nfs/dbraw/zinc/02/04/04/787020404.db2.gz UCDKIBMNMYTNNR-MVWJERBFSA-N 1 0 348.407 -1.544 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C)C(=O)NC1CC1 ZINC001131064808 787018965 /nfs/dbraw/zinc/01/89/65/787018965.db2.gz UCDKIBMNMYTNNR-YUSALJHKSA-N 1 0 348.407 -1.544 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001131066007 787018510 /nfs/dbraw/zinc/01/85/10/787018510.db2.gz IRVRSMPHEKIFNK-UHFFFAOYSA-N 1 0 336.396 -1.836 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131070326 787018438 /nfs/dbraw/zinc/01/84/38/787018438.db2.gz PKXAKGNGBFLTTF-BZPMIXESSA-N 1 0 326.397 -1.042 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131070327 787016909 /nfs/dbraw/zinc/01/69/09/787016909.db2.gz PKXAKGNGBFLTTF-YRGRVCCFSA-N 1 0 326.397 -1.042 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131070353 787017045 /nfs/dbraw/zinc/01/70/45/787017045.db2.gz QUHYJIQTSWPYMA-NQBHXWOUSA-N 1 0 339.396 -1.549 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131070354 787016859 /nfs/dbraw/zinc/01/68/59/787016859.db2.gz QUHYJIQTSWPYMA-WZRBSPASSA-N 1 0 339.396 -1.549 20 0 EAADRO COCc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)o1 ZINC001131072959 787019324 /nfs/dbraw/zinc/01/93/24/787019324.db2.gz FYNMRNZYIMMPDW-UHFFFAOYSA-N 1 0 338.364 -1.296 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C ZINC001131073446 787019736 /nfs/dbraw/zinc/01/97/36/787019736.db2.gz BAWGADYSJQXRCT-WRWGMCAJSA-N 1 0 348.407 -1.829 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CCCO ZINC001131074209 787020459 /nfs/dbraw/zinc/02/04/59/787020459.db2.gz YYDOIRGOBIFNDG-YVECIDJPSA-N 1 0 335.408 -1.192 20 0 EAADRO Cn1cc(Cl)cc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131075642 787020185 /nfs/dbraw/zinc/02/01/85/787020185.db2.gz QHIUPPVMDSNZEJ-UHFFFAOYSA-N 1 0 341.799 -1.044 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CCCC1 ZINC001131082885 787019278 /nfs/dbraw/zinc/01/92/78/787019278.db2.gz FDUMBHLXLCGROS-CYBMUJFWSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(=O)N[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CCCC1 ZINC001131082886 787019159 /nfs/dbraw/zinc/01/91/59/787019159.db2.gz FDUMBHLXLCGROS-ZDUSSCGKSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1CCCC1 ZINC001131082937 787020491 /nfs/dbraw/zinc/02/04/91/787020491.db2.gz HCNCNHPRMGBHQE-GFCCVEGCSA-N 1 0 327.385 -1.418 20 0 EAADRO CC(=O)N[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1CCCC1 ZINC001131082938 787019602 /nfs/dbraw/zinc/01/96/02/787019602.db2.gz HCNCNHPRMGBHQE-LBPRGKRZSA-N 1 0 327.385 -1.418 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](NC(C)=O)C1CCCC1 ZINC001131083286 787019127 /nfs/dbraw/zinc/01/91/27/787019127.db2.gz RYYQEFNEQLSDQF-CYBMUJFWSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](NC(C)=O)C1CCCC1 ZINC001131083287 787018996 /nfs/dbraw/zinc/01/89/96/787018996.db2.gz RYYQEFNEQLSDQF-ZDUSSCGKSA-N 1 0 341.412 -1.157 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131083838 787019207 /nfs/dbraw/zinc/01/92/07/787019207.db2.gz DORKGCKBYBNEBW-GHMZBOCLSA-N 1 0 336.396 -1.732 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1CCCC1 ZINC001131085671 787019571 /nfs/dbraw/zinc/01/95/71/787019571.db2.gz SDURBFHXYBHWSS-BXKDBHETSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1CCCC1 ZINC001131085672 787019458 /nfs/dbraw/zinc/01/94/58/787019458.db2.gz SDURBFHXYBHWSS-CABZTGNLSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1CCCC1 ZINC001131085673 787020024 /nfs/dbraw/zinc/02/00/24/787020024.db2.gz SDURBFHXYBHWSS-JOYOIKCWSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1CCCC1 ZINC001131085674 787020473 /nfs/dbraw/zinc/02/04/73/787020473.db2.gz SDURBFHXYBHWSS-SKDRFNHKSA-N 1 0 341.412 -1.030 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C ZINC001131089382 787020205 /nfs/dbraw/zinc/02/02/05/787020205.db2.gz DOHCVTYXMPNTCI-ZYHUDNBSSA-N 1 0 346.395 -1.508 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cncn1C ZINC001131091497 787020549 /nfs/dbraw/zinc/02/05/49/787020549.db2.gz KQOVQVZJSPLVAW-MWLCHTKSSA-N 1 0 333.352 -1.253 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001131091828 787019499 /nfs/dbraw/zinc/01/94/99/787019499.db2.gz RLXLBTQLGACCSV-NXEZZACHSA-N 1 0 332.368 -1.518 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001131093634 787019788 /nfs/dbraw/zinc/01/97/88/787019788.db2.gz AKOGYJAJKFXFLS-GHMZBOCLSA-N 1 0 346.395 -1.176 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001131093637 787020351 /nfs/dbraw/zinc/02/03/51/787020351.db2.gz ARVNJYVGJKMDCQ-GHMZBOCLSA-N 1 0 346.395 -1.128 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001131093775 787019592 /nfs/dbraw/zinc/01/95/92/787019592.db2.gz JINNAZORKKKZAB-IJLUTSLNSA-N 1 0 349.395 -1.257 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001131093776 787019244 /nfs/dbraw/zinc/01/92/44/787019244.db2.gz JINNAZORKKKZAB-QJPTWQEYSA-N 1 0 349.395 -1.257 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)CC1 ZINC001131093779 787019145 /nfs/dbraw/zinc/01/91/45/787019145.db2.gz JLGDHGXRRUTOBL-VXGBXAGGSA-N 1 0 335.408 -1.177 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001131093925 787020129 /nfs/dbraw/zinc/02/01/29/787020129.db2.gz MKGDGMIFGGSHAL-GHMZBOCLSA-N 1 0 348.407 -1.684 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1[NH2+]CCOCCO ZINC001131093940 787020446 /nfs/dbraw/zinc/02/04/46/787020446.db2.gz MVKXVMDNSVXWTQ-VXGBXAGGSA-N 1 0 349.395 -1.255 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001131093984 787019388 /nfs/dbraw/zinc/01/93/88/787019388.db2.gz OSNOAVXVCVRVNW-GMTAPVOTSA-N 1 0 346.395 -1.130 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001131093985 787020067 /nfs/dbraw/zinc/02/00/67/787020067.db2.gz OSNOAVXVCVRVNW-HBNTYKKESA-N 1 0 346.395 -1.130 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]CCCO ZINC001131096582 787019535 /nfs/dbraw/zinc/01/95/35/787019535.db2.gz IEJBIXYWEHRVMJ-CHWSQXEVSA-N 1 0 348.411 -1.237 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001131097383 787019436 /nfs/dbraw/zinc/01/94/36/787019436.db2.gz LHQNFRBRHLWWIQ-GFCCVEGCSA-N 1 0 346.453 -1.214 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001131097384 787020524 /nfs/dbraw/zinc/02/05/24/787020524.db2.gz LHQNFRBRHLWWIQ-LBPRGKRZSA-N 1 0 346.453 -1.214 20 0 EAADRO CN(CC[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1)S(C)(=O)=O ZINC001131097691 787019469 /nfs/dbraw/zinc/01/94/69/787019469.db2.gz VIVHXZVRXVVUSC-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CN(CC[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1)S(C)(=O)=O ZINC001131097692 787020087 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C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CCCC(=O)N2)CCO1 ZINC001131098998 787020300 /nfs/dbraw/zinc/02/03/00/787020300.db2.gz BJRIDORIZVMMSL-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CCCC(=O)N2)CCO1 ZINC001131098999 787019407 /nfs/dbraw/zinc/01/94/07/787019407.db2.gz BJRIDORIZVMMSL-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131099272 787019259 /nfs/dbraw/zinc/01/92/59/787019259.db2.gz DQJZRQGPHVFRIL-MRVPVSSYSA-N 1 0 339.352 -1.068 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131099273 787019643 /nfs/dbraw/zinc/01/96/43/787019643.db2.gz DQJZRQGPHVFRIL-QMMMGPOBSA-N 1 0 339.352 -1.068 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1)NC[C@H]1CCOC1 ZINC001131099435 787019549 /nfs/dbraw/zinc/01/95/49/787019549.db2.gz HEVUPKXTCXSHCB-CHWSQXEVSA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1)NC[C@H]1CCOC1 ZINC001131099436 787019291 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CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131100052 787019422 /nfs/dbraw/zinc/01/94/22/787019422.db2.gz OTRDBDPKGUDPDO-LLVKDONJSA-N 1 0 334.442 -1.310 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131100054 787019946 /nfs/dbraw/zinc/01/99/46/787019946.db2.gz OTRDBDPKGUDPDO-NSHDSACASA-N 1 0 334.442 -1.310 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131100069 787018869 /nfs/dbraw/zinc/01/88/69/787018869.db2.gz OYNWLJHXDWNRKZ-JTQLQIEISA-N 1 0 325.369 -1.697 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131100071 787018985 /nfs/dbraw/zinc/01/89/85/787018985.db2.gz OYNWLJHXDWNRKZ-SNVBAGLBSA-N 1 0 325.369 -1.697 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131100210 787018837 /nfs/dbraw/zinc/01/88/37/787018837.db2.gz RLNQFKLKRGHWMQ-NXEZZACHSA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131100211 787019704 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COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131100344 787019544 /nfs/dbraw/zinc/01/95/44/787019544.db2.gz SPEDNRPTXMFZTJ-STQMWFEESA-N 1 0 331.413 -1.225 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001131100461 787020284 /nfs/dbraw/zinc/02/02/84/787020284.db2.gz VUZQVAVYKFBARE-LLVKDONJSA-N 1 0 339.396 -1.307 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001131100462 787020315 /nfs/dbraw/zinc/02/03/15/787020315.db2.gz VUZQVAVYKFBARE-NSHDSACASA-N 1 0 339.396 -1.307 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101214 787019416 /nfs/dbraw/zinc/01/94/16/787019416.db2.gz BWXRZTZGYJWISF-JTQLQIEISA-N 1 0 329.353 -1.278 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101215 787019340 /nfs/dbraw/zinc/01/93/40/787019340.db2.gz BWXRZTZGYJWISF-SNVBAGLBSA-N 1 0 329.353 -1.278 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)o1 ZINC001131101433 787019525 /nfs/dbraw/zinc/01/95/25/787019525.db2.gz FKFUWWUNPJPNCX-JTQLQIEISA-N 1 0 338.364 -1.319 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101492 787018939 /nfs/dbraw/zinc/01/89/39/787018939.db2.gz IQMDEVVRYXYWFY-UHFFFAOYSA-N 1 0 325.325 -1.456 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101540 787019826 /nfs/dbraw/zinc/01/98/26/787019826.db2.gz KNOHEHKIQBBNNL-UHFFFAOYSA-N 1 0 339.352 -1.066 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101552 787019805 /nfs/dbraw/zinc/01/98/05/787019805.db2.gz KSSFJLNMSDVKID-UHFFFAOYSA-N 1 0 326.353 -1.149 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)o1 ZINC001131101579 787020107 /nfs/dbraw/zinc/02/01/07/787020107.db2.gz LVKSIJZEZCWIDS-UHFFFAOYSA-N 1 0 337.336 -2.344 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)o1 ZINC001131101653 787019482 /nfs/dbraw/zinc/01/94/82/787019482.db2.gz OXXCCWDRWMNFEH-UHFFFAOYSA-N 1 0 337.336 -1.314 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)o1 ZINC001131101654 787020225 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CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131103834 787019107 /nfs/dbraw/zinc/01/91/07/787019107.db2.gz DBJSDVLCMRTIFT-GHMZBOCLSA-N 1 0 341.412 -1.015 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131103835 787020366 /nfs/dbraw/zinc/02/03/66/787020366.db2.gz DBJSDVLCMRTIFT-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131103836 787018892 /nfs/dbraw/zinc/01/88/92/787018892.db2.gz DBJSDVLCMRTIFT-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131103837 787022039 /nfs/dbraw/zinc/02/20/39/787022039.db2.gz DBJSDVLCMRTIFT-WDEREUQCSA-N 1 0 341.412 -1.015 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131103959 787020782 /nfs/dbraw/zinc/02/07/82/787020782.db2.gz JHOJVROALLXPJV-GFCCVEGCSA-N 1 0 328.413 -1.096 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131103960 787021906 /nfs/dbraw/zinc/02/19/06/787021906.db2.gz JHOJVROALLXPJV-LBPRGKRZSA-N 1 0 328.413 -1.096 20 0 EAADRO Cn1nc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)cc1Cl ZINC001131103964 787022415 /nfs/dbraw/zinc/02/24/15/787022415.db2.gz JJOPBIJRRQDOCU-UHFFFAOYSA-N 1 0 328.760 -1.055 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cncn1C ZINC001131105804 787022154 /nfs/dbraw/zinc/02/21/54/787022154.db2.gz HUFAHRJKLYVUNO-GHMZBOCLSA-N 1 0 346.395 -1.589 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131106946 787022097 /nfs/dbraw/zinc/02/20/97/787022097.db2.gz BMCDQSTVKWSUFL-SSDOTTSWSA-N 1 0 325.325 -1.458 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131106947 787021855 /nfs/dbraw/zinc/02/18/55/787021855.db2.gz BMCDQSTVKWSUFL-ZETCQYMHSA-N 1 0 325.325 -1.458 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131107015 787022432 /nfs/dbraw/zinc/02/24/32/787022432.db2.gz FARFQFSKAIZWSK-UHFFFAOYSA-N 1 0 332.382 -1.363 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131107031 787021563 /nfs/dbraw/zinc/02/15/63/787021563.db2.gz FSWXWOAXMZJOEZ-GFCCVEGCSA-N 1 0 328.413 -1.096 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131107032 787021920 /nfs/dbraw/zinc/02/19/20/787021920.db2.gz FSWXWOAXMZJOEZ-LBPRGKRZSA-N 1 0 328.413 -1.096 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)o1 ZINC001131107065 787021047 /nfs/dbraw/zinc/02/10/47/787021047.db2.gz GTSIWEQRKJSOED-UHFFFAOYSA-N 1 0 337.336 -1.360 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001131107191 787022071 /nfs/dbraw/zinc/02/20/71/787022071.db2.gz KYCIQKBLSGSENI-GFCCVEGCSA-N 1 0 326.397 -1.390 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001131107192 787021583 /nfs/dbraw/zinc/02/15/83/787021583.db2.gz KYCIQKBLSGSENI-LBPRGKRZSA-N 1 0 326.397 -1.390 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131107319 787022194 /nfs/dbraw/zinc/02/21/94/787022194.db2.gz PSVWCTCRVNPFNX-LLVKDONJSA-N 1 0 339.396 -2.291 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131107320 787021421 /nfs/dbraw/zinc/02/14/21/787021421.db2.gz PSVWCTCRVNPFNX-NSHDSACASA-N 1 0 339.396 -2.291 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)o2)CCO1 ZINC001131107332 787021647 /nfs/dbraw/zinc/02/16/47/787021647.db2.gz QDZNTPKXURKIKY-JTQLQIEISA-N 1 0 338.364 -1.055 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)o2)CCO1 ZINC001131107333 787021230 /nfs/dbraw/zinc/02/12/30/787021230.db2.gz QDZNTPKXURKIKY-SNVBAGLBSA-N 1 0 338.364 -1.055 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2ccc(C(N)=O)o2)cc(=O)n(C)c1=O ZINC001131107343 787021733 /nfs/dbraw/zinc/02/17/33/787021733.db2.gz QJNOWEWGVQQLMC-UHFFFAOYSA-N 1 0 349.347 -1.705 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131107373 787020920 /nfs/dbraw/zinc/02/09/20/787020920.db2.gz QZRGSXJTYDDHIO-JTQLQIEISA-N 1 0 327.385 -1.403 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131107374 787021872 /nfs/dbraw/zinc/02/18/72/787021872.db2.gz QZRGSXJTYDDHIO-SNVBAGLBSA-N 1 0 327.385 -1.403 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131107404 787022172 /nfs/dbraw/zinc/02/21/72/787022172.db2.gz SGUJRRWKUWASAA-UHFFFAOYSA-N 1 0 346.409 -1.021 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131107520 787021128 /nfs/dbraw/zinc/02/11/28/787021128.db2.gz XHWSLYRENCKTHV-LLVKDONJSA-N 1 0 341.412 -1.013 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131107521 787021955 /nfs/dbraw/zinc/02/19/55/787021955.db2.gz XHWSLYRENCKTHV-NSHDSACASA-N 1 0 341.412 -1.013 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001131107603 787021763 /nfs/dbraw/zinc/02/17/63/787021763.db2.gz ZYVVQPXWNFESTI-LLVKDONJSA-N 1 0 339.396 -1.261 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001131107604 787021608 /nfs/dbraw/zinc/02/16/08/787021608.db2.gz ZYVVQPXWNFESTI-NSHDSACASA-N 1 0 339.396 -1.261 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)o1 ZINC001131107605 787022142 /nfs/dbraw/zinc/02/21/42/787022142.db2.gz ZYYLHWRDDGPOHN-JTQLQIEISA-N 1 0 338.364 -1.149 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)o1 ZINC001131107606 787022453 /nfs/dbraw/zinc/02/24/53/787022453.db2.gz ZYYLHWRDDGPOHN-SNVBAGLBSA-N 1 0 338.364 -1.149 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cncn1C ZINC001131110337 787020238 /nfs/dbraw/zinc/02/02/38/787020238.db2.gz NDHOOSPOGIBVMF-GRYCIOLGSA-N 1 0 348.407 -1.671 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CCCO ZINC001131110753 787020003 /nfs/dbraw/zinc/02/00/03/787020003.db2.gz XVYFREQBDLDTCC-FRRDWIJNSA-N 1 0 335.408 -1.035 20 0 EAADRO Cc1nc(C)c(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nc1C ZINC001131116220 787020946 /nfs/dbraw/zinc/02/09/46/787020946.db2.gz CCLPEJAYZMQLPL-UHFFFAOYSA-N 1 0 348.407 -1.320 20 0 EAADRO Cn1nc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1Cl ZINC001131116661 787020762 /nfs/dbraw/zinc/02/07/62/787020762.db2.gz QPIUWVBMYOUTGG-UHFFFAOYSA-N 1 0 342.787 -1.649 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1[NH2+]CCCO ZINC001131119447 787021947 /nfs/dbraw/zinc/02/19/47/787021947.db2.gz BTMDSKRQIRYOGZ-CHWSQXEVSA-N 1 0 333.396 -1.022 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C ZINC001131119697 787021035 /nfs/dbraw/zinc/02/10/35/787021035.db2.gz QVWNNVQZUFLRAJ-VXGBXAGGSA-N 1 0 346.395 -1.658 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1ncc(OC)cn1 ZINC001131122280 787021809 /nfs/dbraw/zinc/02/18/09/787021809.db2.gz SPRSFEAALVNJHN-UHFFFAOYSA-N 1 0 325.369 -1.043 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CC(N)=O ZINC001131123370 787021362 /nfs/dbraw/zinc/02/13/62/787021362.db2.gz DYOGDDBJPVJHGG-NXEZZACHSA-N 1 0 337.384 -2.152 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)nc1 ZINC001131123408 787020700 /nfs/dbraw/zinc/02/07/00/787020700.db2.gz BBCUMFWUEDOYRD-UHFFFAOYSA-N 1 0 331.398 -1.304 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1ncc(OC)cn1 ZINC001131123409 787022243 /nfs/dbraw/zinc/02/22/43/787022243.db2.gz BCAKUVUZEOBQQQ-UHFFFAOYSA-N 1 0 325.369 -1.043 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001131123564 787021510 /nfs/dbraw/zinc/02/15/10/787021510.db2.gz LOCHYUWMQUAXBR-GHMZBOCLSA-N 1 0 347.416 -1.177 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nc1 ZINC001131123682 787022226 /nfs/dbraw/zinc/02/22/26/787022226.db2.gz JIPNPPHYFKONOF-UHFFFAOYSA-N 1 0 336.352 -2.237 20 0 EAADRO CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1c1cncn1C ZINC001131123774 787022320 /nfs/dbraw/zinc/02/23/20/787022320.db2.gz UHSAIKWBNLHCAA-GHMZBOCLSA-N 1 0 329.426 -1.127 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131123784 787022028 /nfs/dbraw/zinc/02/20/28/787022028.db2.gz UTYAXEDXXHQFGV-GHMZBOCLSA-N 1 0 345.425 -2.154 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nc1 ZINC001131123888 787021784 /nfs/dbraw/zinc/02/17/84/787021784.db2.gz NZZRGHJGUBZZHU-UHFFFAOYSA-N 1 0 343.409 -1.160 20 0 EAADRO Cn1cncc1[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CCCO ZINC001131124052 787021753 /nfs/dbraw/zinc/02/17/53/787021753.db2.gz ZMXXBCSZEWNFGZ-VXGBXAGGSA-N 1 0 338.412 -1.255 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1cncn1C ZINC001131124055 787021937 /nfs/dbraw/zinc/02/19/37/787021937.db2.gz ZWSNBDHMNWXABP-IJLUTSLNSA-N 1 0 338.412 -1.257 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1cncn1C ZINC001131124056 787021495 /nfs/dbraw/zinc/02/14/95/787021495.db2.gz ZWSNBDHMNWXABP-QJPTWQEYSA-N 1 0 338.412 -1.257 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)nc1 ZINC001131124401 787022086 /nfs/dbraw/zinc/02/20/86/787022086.db2.gz VMCGWPZUXPUFPM-NSHDSACASA-N 1 0 337.380 -1.212 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)nc1 ZINC001131124599 787021271 /nfs/dbraw/zinc/02/12/71/787021271.db2.gz ZDFJENXIYREAQS-UHFFFAOYSA-N 1 0 336.352 -1.207 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131124729 787022357 /nfs/dbraw/zinc/02/23/57/787022357.db2.gz AXPFBJJKUCKLEX-SECBINFHSA-N 1 0 340.384 -1.018 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131124730 787021061 /nfs/dbraw/zinc/02/10/61/787021061.db2.gz AXPFBJJKUCKLEX-VIFPVBQESA-N 1 0 340.384 -1.018 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131124738 787021299 /nfs/dbraw/zinc/02/12/99/787021299.db2.gz BEHUNHZRWVUJAI-UHFFFAOYSA-N 1 0 326.357 -1.406 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)nn1C ZINC001131124739 787022335 /nfs/dbraw/zinc/02/23/35/787022335.db2.gz BFOSYKKGLZEKSP-UHFFFAOYSA-N 1 0 333.414 -1.361 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131124821 787021448 /nfs/dbraw/zinc/02/14/48/787021448.db2.gz GRTJIHAXHUUYQD-UHFFFAOYSA-N 1 0 340.384 -1.016 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131124836 787021148 /nfs/dbraw/zinc/02/11/48/787021148.db2.gz HRAGRDLZTFLVMV-UHFFFAOYSA-N 1 0 327.385 -1.099 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)nn1C ZINC001131125023 787021199 /nfs/dbraw/zinc/02/11/99/787021199.db2.gz QDBICIBYNHSVAJ-UHFFFAOYSA-N 1 0 338.368 -1.264 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1C ZINC001131125091 787020818 /nfs/dbraw/zinc/02/08/18/787020818.db2.gz SSPNAFZKSLCNRB-UHFFFAOYSA-N 1 0 338.368 -2.294 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)nn1C ZINC001131125152 787021405 /nfs/dbraw/zinc/02/14/05/787021405.db2.gz WOMGENVBMSUUQX-UHFFFAOYSA-N 1 0 325.369 -1.393 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nn1C ZINC001131125169 787021887 /nfs/dbraw/zinc/02/18/87/787021887.db2.gz XLPOAIMCVYLODX-UHFFFAOYSA-N 1 0 345.425 -1.216 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131125194 787021545 /nfs/dbraw/zinc/02/15/45/787021545.db2.gz YFECOIJMGJYMOD-UHFFFAOYSA-N 1 0 327.385 -1.099 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CCOCCNC(C)=O)nc1 ZINC001131127214 787022118 /nfs/dbraw/zinc/02/21/18/787022118.db2.gz DCZRAYIJBDFSDJ-UHFFFAOYSA-N 1 0 325.369 -1.043 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ncc(OC)cn1 ZINC001131127246 787020725 /nfs/dbraw/zinc/02/07/25/787020725.db2.gz FGQJPKDWJIAPOY-LLVKDONJSA-N 1 0 328.369 -1.172 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ncc(OC)cn1 ZINC001131127247 787021090 /nfs/dbraw/zinc/02/10/90/787021090.db2.gz FGQJPKDWJIAPOY-NSHDSACASA-N 1 0 328.369 -1.172 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CCOCCNC(C)=O)nn1C ZINC001131127387 787021005 /nfs/dbraw/zinc/02/10/05/787021005.db2.gz KXTQYLPOWVKXQP-UHFFFAOYSA-N 1 0 327.385 -1.099 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131127492 787021801 /nfs/dbraw/zinc/02/18/01/787021801.db2.gz PHOJLDMMKMJKMY-LLVKDONJSA-N 1 0 330.385 -1.228 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131127493 787021393 /nfs/dbraw/zinc/02/13/93/787021393.db2.gz PHOJLDMMKMJKMY-NSHDSACASA-N 1 0 330.385 -1.228 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)nn1C ZINC001131127494 787021219 /nfs/dbraw/zinc/02/12/19/787021219.db2.gz PHZRQZAMBCJRSY-NSHDSACASA-N 1 0 339.396 -1.269 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ncc(OC)cn1 ZINC001131127496 787021020 /nfs/dbraw/zinc/02/10/20/787021020.db2.gz PPGWPFOVHYCTNX-UHFFFAOYSA-N 1 0 331.398 -1.256 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)nc1 ZINC001131127503 787022017 /nfs/dbraw/zinc/02/20/17/787022017.db2.gz QCGQAWQUDJBMBR-UHFFFAOYSA-N 1 0 336.352 -1.254 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131127843 787022059 /nfs/dbraw/zinc/02/20/59/787022059.db2.gz HPTZZEHSSPOWRC-VXGBXAGGSA-N 1 0 344.437 -1.269 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)nc1 ZINC001131129588 787022177 /nfs/dbraw/zinc/02/21/77/787022177.db2.gz DCVAMXIYHRKALL-LLVKDONJSA-N 1 0 337.380 -1.043 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)nc1 ZINC001131129589 787022213 /nfs/dbraw/zinc/02/22/13/787022213.db2.gz DCVAMXIYHRKALL-NSHDSACASA-N 1 0 337.380 -1.043 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)nn1C ZINC001131129592 787021251 /nfs/dbraw/zinc/02/12/51/787021251.db2.gz DFPKKEDZZRDVGN-LLVKDONJSA-N 1 0 339.396 -1.099 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)nn1C ZINC001131129593 787021981 /nfs/dbraw/zinc/02/19/81/787021981.db2.gz DFPKKEDZZRDVGN-NSHDSACASA-N 1 0 339.396 -1.099 20 0 EAADRO COc1cnc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nc1 ZINC001131129708 787022513 /nfs/dbraw/zinc/02/25/13/787022513.db2.gz IIXDTGSXSCHOMR-UHFFFAOYSA-N 1 0 348.363 -1.598 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)nn1C ZINC001131129745 787021313 /nfs/dbraw/zinc/02/13/13/787021313.db2.gz JVBCVNPIJUXOAI-LLVKDONJSA-N 1 0 339.396 -1.005 20 0 EAADRO COc1cc(C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)nn1C ZINC001131129746 787021472 /nfs/dbraw/zinc/02/14/72/787021472.db2.gz JVBCVNPIJUXOAI-NSHDSACASA-N 1 0 339.396 -1.005 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131130001 787022845 /nfs/dbraw/zinc/02/28/45/787022845.db2.gz 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335.412 -1.160 20 0 EAADRO C[C@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520032 787060776 /nfs/dbraw/zinc/06/07/76/787060776.db2.gz RQBYQOSXUYVEDJ-DILZAHMFSA-N 1 0 335.412 -1.160 20 0 EAADRO C[C@@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520033 787059141 /nfs/dbraw/zinc/05/91/41/787059141.db2.gz RQBYQOSXUYVEDJ-NGWKBDRKSA-N 1 0 335.412 -1.160 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)n(C)c1=O ZINC001131524950 787059662 /nfs/dbraw/zinc/05/96/62/787059662.db2.gz XXYLWFZQDKRNNS-JYKNGBAOSA-N 1 0 348.403 -1.287 20 0 EAADRO C[C@@H]1CO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001131530909 787058535 /nfs/dbraw/zinc/05/85/35/787058535.db2.gz PNUADYNURIWOEP-AAEUAGOBSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]1CO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001131530910 787060485 /nfs/dbraw/zinc/06/04/85/787060485.db2.gz PNUADYNURIWOEP-DGCLKSJQSA-N 1 0 340.424 -1.159 20 0 EAADRO 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C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)cn1)C(=O)Nc1ncccn1 ZINC001131536423 787060755 /nfs/dbraw/zinc/06/07/55/787060755.db2.gz JAIMZMNKXPHNLR-JTQLQIEISA-N 1 0 345.363 -1.083 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)cn1)C(=O)Nc1ncccn1 ZINC001131536425 787060347 /nfs/dbraw/zinc/06/03/47/787060347.db2.gz JAIMZMNKXPHNLR-SNVBAGLBSA-N 1 0 345.363 -1.083 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)ncc1=O ZINC001131536618 787060575 /nfs/dbraw/zinc/06/05/75/787060575.db2.gz MBOJDKPHTJJYNJ-UHFFFAOYSA-N 1 0 343.409 -1.865 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131536681 787060511 /nfs/dbraw/zinc/06/05/11/787060511.db2.gz OHILFPXEJYKVLT-UHFFFAOYSA-N 1 0 325.369 -1.748 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)ncc1=O ZINC001131536741 787059269 /nfs/dbraw/zinc/05/92/69/787059269.db2.gz PMYVKLCMFHLSRD-LLVKDONJSA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)ncc1=O ZINC001131536745 787058429 /nfs/dbraw/zinc/05/84/29/787058429.db2.gz 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787061692 /nfs/dbraw/zinc/06/16/92/787061692.db2.gz AMIBDPBRFXOFRA-NSHDSACASA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)ncc1=O ZINC001131538486 787062221 /nfs/dbraw/zinc/06/22/21/787062221.db2.gz CBVMJLJADRMTIU-JTQLQIEISA-N 1 0 328.394 -1.466 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)ncc1=O ZINC001131538487 787061836 /nfs/dbraw/zinc/06/18/36/787061836.db2.gz CBVMJLJADRMTIU-SNVBAGLBSA-N 1 0 328.394 -1.466 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131538735 787061901 /nfs/dbraw/zinc/06/19/01/787061901.db2.gz DAAPBUWBCLKYAB-UHFFFAOYSA-N 1 0 331.398 -1.961 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cn(C)c(=O)cn2)CCO1 ZINC001131538805 787062494 /nfs/dbraw/zinc/06/24/94/787062494.db2.gz FRLICJCCMDPVGR-LLVKDONJSA-N 1 0 337.380 -1.653 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cn(C)c(=O)cn2)CCO1 ZINC001131538806 787061496 /nfs/dbraw/zinc/06/14/96/787061496.db2.gz FRLICJCCMDPVGR-NSHDSACASA-N 1 0 337.380 -1.653 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)ncc1=O ZINC001131539036 787062266 /nfs/dbraw/zinc/06/22/66/787062266.db2.gz GUSZOJLQNZGZGE-NSHDSACASA-N 1 0 337.380 -1.917 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)ncc1=O ZINC001131539037 787061975 /nfs/dbraw/zinc/06/19/75/787061975.db2.gz GVFIOIMMHOQDBH-UHFFFAOYSA-N 1 0 342.421 -1.076 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131539222 787062113 /nfs/dbraw/zinc/06/21/13/787062113.db2.gz JFCUTDWTHNRACP-UHFFFAOYSA-N 1 0 345.425 -1.571 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131539262 787061778 /nfs/dbraw/zinc/06/17/78/787061778.db2.gz KMQZJBLWCJIFSI-NEPJUHHUSA-N 1 0 342.396 -1.488 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131539263 787061826 /nfs/dbraw/zinc/06/18/26/787061826.db2.gz KMQZJBLWCJIFSI-NWDGAFQWSA-N 1 0 342.396 -1.488 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131539264 787062275 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COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131540030 787061643 /nfs/dbraw/zinc/06/16/43/787061643.db2.gz UCAITJXCTWQDGQ-NSHDSACASA-N 1 0 328.369 -1.876 20 0 EAADRO C[C@H]1CO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001131540416 787062347 /nfs/dbraw/zinc/06/23/47/787062347.db2.gz ZLZNQRGPBIWLLU-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]1CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001131540417 787062470 /nfs/dbraw/zinc/06/24/70/787062470.db2.gz ZLZNQRGPBIWLLU-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1CO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001131540418 787061959 /nfs/dbraw/zinc/06/19/59/787061959.db2.gz ZLZNQRGPBIWLLU-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001131540419 787061922 /nfs/dbraw/zinc/06/19/22/787061922.db2.gz ZLZNQRGPBIWLLU-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131540420 787062164 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20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131544971 787058617 /nfs/dbraw/zinc/05/86/17/787058617.db2.gz FEYIERXCAHPSMD-UHFFFAOYSA-N 1 0 325.369 -1.748 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131545009 787058690 /nfs/dbraw/zinc/05/86/90/787058690.db2.gz HBENMFDFQCMWQI-LLVKDONJSA-N 1 0 339.396 -1.359 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131545010 787058869 /nfs/dbraw/zinc/05/88/69/787058869.db2.gz HBENMFDFQCMWQI-NSHDSACASA-N 1 0 339.396 -1.359 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)ncc1=O ZINC001131545079 787059282 /nfs/dbraw/zinc/05/92/82/787059282.db2.gz JZVIPYNOLQKCFB-UHFFFAOYSA-N 1 0 348.363 -2.303 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1)CS(C)(=O)=O ZINC001131545251 787059096 /nfs/dbraw/zinc/05/90/96/787059096.db2.gz OAVSBMRHAAGRTQ-JTQLQIEISA-N 1 0 330.410 -1.220 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1)CS(C)(=O)=O ZINC001131545252 787059077 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Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)ncc1=O ZINC001131545850 787058721 /nfs/dbraw/zinc/05/87/21/787058721.db2.gz ZIXMZDGIRHUEFE-NSHDSACASA-N 1 0 337.380 -1.748 20 0 EAADRO NC(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131552115 787062243 /nfs/dbraw/zinc/06/22/43/787062243.db2.gz CICNFZYNDQGUSR-OLZOCXBDSA-N 1 0 329.397 -1.534 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001131552159 787062335 /nfs/dbraw/zinc/06/23/35/787062335.db2.gz DIMXWLRNYJVSFS-JLLWLGSASA-N 1 0 326.397 -1.408 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001131552164 787062028 /nfs/dbraw/zinc/06/20/28/787062028.db2.gz DIMXWLRNYJVSFS-WCQGTBRESA-N 1 0 326.397 -1.408 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001131552230 787062052 /nfs/dbraw/zinc/06/20/52/787062052.db2.gz GULQQPJOCWEAFY-UPJWGTAASA-N 1 0 329.397 -1.535 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001131552231 787061509 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ZINC001131563075 787061600 /nfs/dbraw/zinc/06/16/00/787061600.db2.gz XBSAFXNXMAGRKZ-UHFFFAOYSA-N 1 0 337.336 -1.530 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)N1CCNC(=O)C1 ZINC001131565671 787061453 /nfs/dbraw/zinc/06/14/53/787061453.db2.gz AVHVPHCONVATSP-DOMZBBRYSA-N 1 0 338.408 -1.534 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131575168 787062630 /nfs/dbraw/zinc/06/26/30/787062630.db2.gz SCMBFONAFDSRQM-WBMJQRKESA-N 1 0 340.424 -1.064 20 0 EAADRO CC[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131579467 787061232 /nfs/dbraw/zinc/06/12/32/787061232.db2.gz HZTDVNJPECCNHH-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO CCc1cc(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)n(C)n1 ZINC001131594784 787061420 /nfs/dbraw/zinc/06/14/20/787061420.db2.gz FBGRNKHURPOPON-UHFFFAOYSA-N 1 0 336.396 -1.217 20 0 EAADRO CCc1cc(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)n(C)n1 ZINC001131595436 787061165 /nfs/dbraw/zinc/06/11/65/787061165.db2.gz RLKLHTZOFAZAPQ-UHFFFAOYSA-N 1 0 331.442 -1.220 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001131601420 787061719 /nfs/dbraw/zinc/06/17/19/787061719.db2.gz DMTRZJQYZCBHRV-RISCZKNCSA-N 1 0 341.412 -1.484 20 0 EAADRO Cc1cnc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c(C)c1 ZINC001131601621 787062821 /nfs/dbraw/zinc/06/28/21/787062821.db2.gz QJHGHAFQHIBOAK-UHFFFAOYSA-N 1 0 333.392 -1.024 20 0 EAADRO Cc1cnc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1C ZINC001131604062 787062419 /nfs/dbraw/zinc/06/24/19/787062419.db2.gz MVYCCXYTKLLTDT-UHFFFAOYSA-N 1 0 333.392 -1.024 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001131604935 787061799 /nfs/dbraw/zinc/06/17/99/787061799.db2.gz OBWBHOYQXZZGIT-OCCSQVGLSA-N 1 0 349.453 -1.486 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)NC(N)=O)c2ncccc12 ZINC001131607612 787061877 /nfs/dbraw/zinc/06/18/77/787061877.db2.gz NOLQOPZPBUWKOH-UHFFFAOYSA-N 1 0 333.352 -1.360 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)c2cccnc21 ZINC001131608036 787061351 /nfs/dbraw/zinc/06/13/51/787061351.db2.gz YOZKVULKYZYGHZ-UHFFFAOYSA-N 1 0 347.379 -1.099 20 0 EAADRO CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131610815 787061526 /nfs/dbraw/zinc/06/15/26/787061526.db2.gz JSNYTPJPCIRLNF-OLZOCXBDSA-N 1 0 328.413 -1.682 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613477 787063816 /nfs/dbraw/zinc/06/38/16/787063816.db2.gz CFPNHGHAEIVOHZ-MCIONIFRSA-N 1 0 340.424 -1.540 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613478 787064222 /nfs/dbraw/zinc/06/42/22/787064222.db2.gz CFPNHGHAEIVOHZ-RDBSUJKOSA-N 1 0 340.424 -1.540 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613604 787063127 /nfs/dbraw/zinc/06/31/27/787063127.db2.gz HXBNVNPWMAAARJ-MCIONIFRSA-N 1 0 342.440 -1.294 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613605 787063158 /nfs/dbraw/zinc/06/31/58/787063158.db2.gz HXBNVNPWMAAARJ-MJBXVCDLSA-N 1 0 342.440 -1.294 20 0 EAADRO CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613675 787063465 /nfs/dbraw/zinc/06/34/65/787063465.db2.gz JWLSKBCGZKYXBV-KGLIPLIRSA-N 1 0 342.440 -1.340 20 0 EAADRO CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613686 787064740 /nfs/dbraw/zinc/06/47/40/787064740.db2.gz KHRVNBBQXQKFTM-KGLIPLIRSA-N 1 0 342.440 -1.292 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(N)=O ZINC001131613726 787064080 /nfs/dbraw/zinc/06/40/80/787064080.db2.gz LQHXSPOTYSWHGY-UPJWGTAASA-N 1 0 328.413 -1.554 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(N)=O ZINC001131613727 787063403 /nfs/dbraw/zinc/06/34/03/787063403.db2.gz LQHXSPOTYSWHGY-XQQFMLRXSA-N 1 0 328.413 -1.554 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613738 787064141 /nfs/dbraw/zinc/06/41/41/787064141.db2.gz LVNITOBNIMGJCD-KFWWJZLASA-N 1 0 345.440 -1.421 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131613739 787065360 /nfs/dbraw/zinc/06/53/60/787065360.db2.gz LVNITOBNIMGJCD-ZNMIVQPWSA-N 1 0 345.440 -1.421 20 0 EAADRO CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(N)=O ZINC001131613986 787064104 /nfs/dbraw/zinc/06/41/04/787064104.db2.gz UZZXGBGZZGYSDQ-MCIONIFRSA-N 1 0 342.440 -1.164 20 0 EAADRO CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(N)=O ZINC001131613987 787064340 /nfs/dbraw/zinc/06/43/40/787064340.db2.gz UZZXGBGZZGYSDQ-RDBSUJKOSA-N 1 0 342.440 -1.164 20 0 EAADRO O=C(NCC[NH2+]CCOCCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131614015 787063104 /nfs/dbraw/zinc/06/31/04/787063104.db2.gz VTMFKUMWUKETNM-CABCVRRESA-N 1 0 345.440 -1.419 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CCCNS(=O)(=O)CC)nn1 ZINC001131621667 787062775 /nfs/dbraw/zinc/06/27/75/787062775.db2.gz ADPQFNKDTLMUOC-UHFFFAOYSA-N 1 0 346.457 -1.124 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@@H](O)COCCOC)nn1 ZINC001131621754 787061982 /nfs/dbraw/zinc/06/19/82/787061982.db2.gz DSCFSSOXQMZODU-CYBMUJFWSA-N 1 0 329.401 -1.430 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@H](O)COCCOC)nn1 ZINC001131621755 787062370 /nfs/dbraw/zinc/06/23/70/787062370.db2.gz DSCFSSOXQMZODU-ZDUSSCGKSA-N 1 0 329.401 -1.430 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001131621816 787062226 /nfs/dbraw/zinc/06/22/26/787062226.db2.gz HDDOBFKNHTWZJH-UHFFFAOYSA-N 1 0 344.441 -1.418 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001131621820 787062145 /nfs/dbraw/zinc/06/21/45/787062145.db2.gz HIBCBFQCZWNIGI-UHFFFAOYSA-N 1 0 349.351 -1.306 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC)nn1 ZINC001131621826 787062324 /nfs/dbraw/zinc/06/23/24/787062324.db2.gz HOAPVDZLBFOQOX-GXTWGEPZSA-N 1 0 343.428 -1.041 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC)nn1 ZINC001131621827 787061328 /nfs/dbraw/zinc/06/13/28/787061328.db2.gz HOAPVDZLBFOQOX-JSGCOSHPSA-N 1 0 343.428 -1.041 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC)nn1 ZINC001131621828 787061316 /nfs/dbraw/zinc/06/13/16/787061316.db2.gz HOAPVDZLBFOQOX-OCCSQVGLSA-N 1 0 343.428 -1.041 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC)nn1 ZINC001131621829 787061553 /nfs/dbraw/zinc/06/15/53/787061553.db2.gz HOAPVDZLBFOQOX-TZMCWYRMSA-N 1 0 343.428 -1.041 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001131621865 787061851 /nfs/dbraw/zinc/06/18/51/787061851.db2.gz JJUJYWWLEHXKSJ-UHFFFAOYSA-N 1 0 335.324 -1.566 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CCOCCNC(C)=O)nn1 ZINC001131621907 787061743 /nfs/dbraw/zinc/06/17/43/787061743.db2.gz KZRNIBGNBRIUOM-UHFFFAOYSA-N 1 0 326.401 -1.301 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)nn1 ZINC001131621929 787062037 /nfs/dbraw/zinc/06/20/37/787062037.db2.gz LOIQLQZXUZHPGF-ZDUSSCGKSA-N 1 0 338.412 -1.470 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)nn1 ZINC001131622028 787064429 /nfs/dbraw/zinc/06/44/29/787064429.db2.gz PRJKVPLFGBUCBN-UHFFFAOYSA-N 1 0 332.430 -1.562 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001131622041 787063329 /nfs/dbraw/zinc/06/33/29/787063329.db2.gz QJBVNOHGPVSEFR-LLVKDONJSA-N 1 0 329.426 -1.019 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001131622042 787065060 /nfs/dbraw/zinc/06/50/60/787065060.db2.gz QJBVNOHGPVSEFR-NSHDSACASA-N 1 0 329.426 -1.019 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)nn1 ZINC001131624206 787064886 /nfs/dbraw/zinc/06/48/86/787064886.db2.gz AKDCSMIPJHPCHM-GFCCVEGCSA-N 1 0 338.412 -1.206 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)nn1 ZINC001131624207 787064825 /nfs/dbraw/zinc/06/48/25/787064825.db2.gz AKDCSMIPJHPCHM-LBPRGKRZSA-N 1 0 338.412 -1.206 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)nn1 ZINC001131624268 787064697 /nfs/dbraw/zinc/06/46/97/787064697.db2.gz DACDCFULHPKZIE-SECBINFHSA-N 1 0 325.373 -1.610 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)nn1 ZINC001131624269 787063548 /nfs/dbraw/zinc/06/35/48/787063548.db2.gz DACDCFULHPKZIE-VIFPVBQESA-N 1 0 325.373 -1.610 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CCOCCO)C2)C1 ZINC001131624367 787065161 /nfs/dbraw/zinc/06/51/61/787065161.db2.gz JKIGDHLOBNKBQR-BBRMVZONSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CCOCCO)C2)C1 ZINC001131624368 787065430 /nfs/dbraw/zinc/06/54/30/787065430.db2.gz JKIGDHLOBNKBQR-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CCOCCO)C2)C1 ZINC001131624369 787064715 /nfs/dbraw/zinc/06/47/15/787064715.db2.gz JKIGDHLOBNKBQR-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CCOCCO)C2)C1 ZINC001131624370 787064624 /nfs/dbraw/zinc/06/46/24/787064624.db2.gz JKIGDHLOBNKBQR-XJKSGUPXSA-N 1 0 343.424 -1.177 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)nn1 ZINC001131624461 787065306 /nfs/dbraw/zinc/06/53/06/787065306.db2.gz HKTGSTVFAKIPTK-UHFFFAOYSA-N 1 0 346.457 -1.172 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CCNS(=O)(=O)CC)nn1 ZINC001131624473 787064844 /nfs/dbraw/zinc/06/48/44/787064844.db2.gz HWBFNLNCUBILNI-UHFFFAOYSA-N 1 0 332.430 -1.514 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)nn1 ZINC001131624684 787063038 /nfs/dbraw/zinc/06/30/38/787063038.db2.gz MEUZZBUIXXBDNI-UHFFFAOYSA-N 1 0 337.384 -1.512 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131625027 787064279 /nfs/dbraw/zinc/06/42/79/787064279.db2.gz UTVVVLPAAOQZKY-JTQLQIEISA-N 1 0 339.400 -1.220 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131625029 787064959 /nfs/dbraw/zinc/06/49/59/787064959.db2.gz UTVVVLPAAOQZKY-SNVBAGLBSA-N 1 0 339.400 -1.220 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)nn1 ZINC001131625103 787064811 /nfs/dbraw/zinc/06/48/11/787064811.db2.gz XKCFMKMOYRKQPX-UHFFFAOYSA-N 1 0 338.412 -1.159 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131625121 787063885 /nfs/dbraw/zinc/06/38/85/787063885.db2.gz YDMCJFSQHCWSPT-UHFFFAOYSA-N 1 0 326.401 -1.301 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)nn1 ZINC001131625132 787064946 /nfs/dbraw/zinc/06/49/46/787064946.db2.gz YMVHYYMOQVCXFY-GFCCVEGCSA-N 1 0 338.412 -1.301 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)nn1 ZINC001131625133 787064051 /nfs/dbraw/zinc/06/40/51/787064051.db2.gz YMVHYYMOQVCXFY-LBPRGKRZSA-N 1 0 338.412 -1.301 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)nn1 ZINC001131626657 787063181 /nfs/dbraw/zinc/06/31/81/787063181.db2.gz CYKXPOJJWODOOQ-UHFFFAOYSA-N 1 0 337.384 -1.466 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)nn1 ZINC001131626732 787064015 /nfs/dbraw/zinc/06/40/15/787064015.db2.gz HHEWQZHTVHAZMQ-UHFFFAOYSA-N 1 0 332.368 -1.025 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131626804 787064469 /nfs/dbraw/zinc/06/44/69/787064469.db2.gz LIHZPZQPNCEXMN-UHFFFAOYSA-N 1 0 339.400 -1.218 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)nn1 ZINC001131626933 787063770 /nfs/dbraw/zinc/06/37/70/787063770.db2.gz MMENPDFNKZKFST-CYBMUJFWSA-N 1 0 338.412 -1.159 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)nn1 ZINC001131626934 787065021 /nfs/dbraw/zinc/06/50/21/787065021.db2.gz MMENPDFNKZKFST-ZDUSSCGKSA-N 1 0 338.412 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131626942 787063374 /nfs/dbraw/zinc/06/33/74/787063374.db2.gz MVEKMADCCLEQCJ-UHFFFAOYSA-N 1 0 325.373 -1.608 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001131626981 787063528 /nfs/dbraw/zinc/06/35/28/787063528.db2.gz PDNVLORLAVDJLC-UHFFFAOYSA-N 1 0 337.384 -2.495 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cn2ccnn2)o1)C(=O)NC(N)=O ZINC001131626999 787064604 /nfs/dbraw/zinc/06/46/04/787064604.db2.gz QIAJDNLLLIBSDQ-SECBINFHSA-N 1 0 349.351 -1.178 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cn2ccnn2)o1)C(=O)NC(N)=O ZINC001131627000 787064489 /nfs/dbraw/zinc/06/44/89/787064489.db2.gz QIAJDNLLLIBSDQ-VIFPVBQESA-N 1 0 349.351 -1.178 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NCCCOC)nn1 ZINC001131627249 787065238 /nfs/dbraw/zinc/06/52/38/787065238.db2.gz YMMUKKKDUDLXOO-UHFFFAOYSA-N 1 0 326.401 -1.301 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001131630464 787065318 /nfs/dbraw/zinc/06/53/18/787065318.db2.gz JYFQOAAFRPRXGW-UHFFFAOYSA-N 1 0 349.395 -1.856 20 0 EAADRO Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131630820 787063501 /nfs/dbraw/zinc/06/35/01/787063501.db2.gz SBIYUBBGMPFWLI-VXGBXAGGSA-N 1 0 348.407 -1.812 20 0 EAADRO Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001131633643 787066882 /nfs/dbraw/zinc/06/68/82/787066882.db2.gz BIMZSFRMHYPHGO-GHMZBOCLSA-N 1 0 329.426 -1.221 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131634537 787066064 /nfs/dbraw/zinc/06/60/64/787066064.db2.gz YLYLGXXUANUPFO-DOMZBBRYSA-N 1 0 344.412 -1.645 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131634538 787067340 /nfs/dbraw/zinc/06/73/40/787067340.db2.gz YLYLGXXUANUPFO-IUODEOHRSA-N 1 0 344.412 -1.645 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131634539 787065904 /nfs/dbraw/zinc/06/59/04/787065904.db2.gz YLYLGXXUANUPFO-SWLSCSKDSA-N 1 0 344.412 -1.645 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)C[C@@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131634540 787066370 /nfs/dbraw/zinc/06/63/70/787066370.db2.gz YLYLGXXUANUPFO-WFASDCNBSA-N 1 0 344.412 -1.645 20 0 EAADRO Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131634789 787066464 /nfs/dbraw/zinc/06/64/64/787066464.db2.gz ZMDBFVKGRRCADN-GHMZBOCLSA-N 1 0 334.380 -1.219 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)CC2 ZINC001131636583 787066047 /nfs/dbraw/zinc/06/60/47/787066047.db2.gz LWLPSBNPHATDSG-GHMZBOCLSA-N 1 0 334.380 -1.340 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)CC2 ZINC001131636584 787065893 /nfs/dbraw/zinc/06/58/93/787065893.db2.gz LWLPSBNPHATDSG-MNOVXSKESA-N 1 0 334.380 -1.340 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)CC2 ZINC001131636585 787067397 /nfs/dbraw/zinc/06/73/97/787067397.db2.gz LWLPSBNPHATDSG-QWRGUYRKSA-N 1 0 334.380 -1.340 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)CC2 ZINC001131636586 787066967 /nfs/dbraw/zinc/06/69/67/787066967.db2.gz LWLPSBNPHATDSG-WDEREUQCSA-N 1 0 334.380 -1.340 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001131636803 787066205 /nfs/dbraw/zinc/06/62/05/787066205.db2.gz QKHQTAXNIBZSNT-JTQLQIEISA-N 1 0 337.384 -1.690 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001131636804 787067273 /nfs/dbraw/zinc/06/72/73/787067273.db2.gz QKHQTAXNIBZSNT-SNVBAGLBSA-N 1 0 337.384 -1.690 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC2 ZINC001131636824 787067040 /nfs/dbraw/zinc/06/70/40/787067040.db2.gz RAOAALKBOGJHSH-LLVKDONJSA-N 1 0 329.426 -1.101 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC2 ZINC001131636825 787066665 /nfs/dbraw/zinc/06/66/65/787066665.db2.gz RAOAALKBOGJHSH-NSHDSACASA-N 1 0 329.426 -1.101 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)CC2 ZINC001131637075 787066913 /nfs/dbraw/zinc/06/69/13/787066913.db2.gz YWRGWECOFOXJMU-GFCCVEGCSA-N 1 0 335.412 -1.120 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)CC2 ZINC001131637076 787066340 /nfs/dbraw/zinc/06/63/40/787066340.db2.gz YWRGWECOFOXJMU-LBPRGKRZSA-N 1 0 335.412 -1.120 20 0 EAADRO Cc1nocc1C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639177 787066297 /nfs/dbraw/zinc/06/62/97/787066297.db2.gz ARGXDTXRXVBOBM-JTQLQIEISA-N 1 0 330.366 -1.898 20 0 EAADRO O=C(NCC[NH2+]Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639202 787066026 /nfs/dbraw/zinc/06/60/26/787066026.db2.gz BQNLQEUOCGPSDP-LBPRGKRZSA-N 1 0 343.380 -1.055 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(N)=O ZINC001131639214 787066826 /nfs/dbraw/zinc/06/68/26/787066826.db2.gz CEJMZUIXMDTLDZ-UWVGGRQHSA-N 1 0 348.425 -2.351 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(N)=O ZINC001131639215 787066580 /nfs/dbraw/zinc/06/65/80/787066580.db2.gz CEJMZUIXMDTLDZ-ZJUUUORDSA-N 1 0 348.425 -2.351 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639232 787066772 /nfs/dbraw/zinc/06/67/72/787066772.db2.gz CYTBCCTVMBYQEI-LURJTMIESA-N 1 0 335.342 -4.200 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)NC(N)=O ZINC001131639239 787066980 /nfs/dbraw/zinc/06/69/80/787066980.db2.gz DISLRELLIYHNDL-BQBZGAKWSA-N 1 0 349.369 -3.811 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)NC(N)=O ZINC001131639240 787067150 /nfs/dbraw/zinc/06/71/50/787067150.db2.gz DISLRELLIYHNDL-RQJHMYQMSA-N 1 0 349.369 -3.811 20 0 EAADRO O=C(NCC[NH2+]CCn1cncn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639273 787067368 /nfs/dbraw/zinc/06/73/68/787067368.db2.gz FQWIWKQKUQUTHJ-VIFPVBQESA-N 1 0 330.370 -3.103 20 0 EAADRO O=C(NCC[NH2+]Cc1cncs1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639302 787067243 /nfs/dbraw/zinc/06/72/43/787067243.db2.gz FXUFNWYOIGXWIO-VIFPVBQESA-N 1 0 332.407 -1.738 20 0 EAADRO COCCCCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639378 787066844 /nfs/dbraw/zinc/06/68/44/787066844.db2.gz GQVNQEUUSPQKMK-NSHDSACASA-N 1 0 335.426 -1.578 20 0 EAADRO O=C(NCC[NH2+]CC[C@H]1CCCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639433 787066687 /nfs/dbraw/zinc/06/66/87/787066687.db2.gz GZUDYITYPDMVDE-NEPJUHHUSA-N 1 0 347.437 -1.435 20 0 EAADRO O=C(NCC[NH2+]CC[C@@H]1CCCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639435 787066483 /nfs/dbraw/zinc/06/64/83/787066483.db2.gz GZUDYITYPDMVDE-RYUDHWBXSA-N 1 0 347.437 -1.435 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001131639450 787067089 /nfs/dbraw/zinc/06/70/89/787067089.db2.gz HFGCDHKMPWWMQI-LLVKDONJSA-N 1 0 349.395 -1.593 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001131639452 787065808 /nfs/dbraw/zinc/06/58/08/787065808.db2.gz HFGCDHKMPWWMQI-NSHDSACASA-N 1 0 349.395 -1.593 20 0 EAADRO O=C(NCC[NH2+]CCc1cccs1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639527 787067081 /nfs/dbraw/zinc/06/70/81/787067081.db2.gz HXYIWCRLNMKIJN-NSHDSACASA-N 1 0 345.446 -1.090 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001131639539 787066641 /nfs/dbraw/zinc/06/66/41/787066641.db2.gz IKHHDRMHGHXIMY-JTQLQIEISA-N 1 0 346.409 -2.774 20 0 EAADRO Cn1ccnc1CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131639552 787066521 /nfs/dbraw/zinc/06/65/21/787066521.db2.gz IQZZCDXSLIRUQU-UHFFFAOYSA-N 1 0 336.396 -1.983 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639555 787065930 /nfs/dbraw/zinc/06/59/30/787065930.db2.gz IXIMKUHBXJZCHX-MNOVXSKESA-N 1 0 333.410 -1.826 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639556 787067332 /nfs/dbraw/zinc/06/73/32/787067332.db2.gz IXIMKUHBXJZCHX-QWRGUYRKSA-N 1 0 333.410 -1.826 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1=O ZINC001131639560 787066697 /nfs/dbraw/zinc/06/66/97/787066697.db2.gz JDAVIUNFIBKJEY-BDAKNGLRSA-N 1 0 332.382 -3.164 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1=O ZINC001131639561 787066814 /nfs/dbraw/zinc/06/68/14/787066814.db2.gz JDAVIUNFIBKJEY-IUCAKERBSA-N 1 0 332.382 -3.164 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)s1 ZINC001131639562 787066113 /nfs/dbraw/zinc/06/61/13/787066113.db2.gz JDISMPBRSLYOFE-JTQLQIEISA-N 1 0 346.434 -1.429 20 0 EAADRO CC(C)OCCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639605 787065886 /nfs/dbraw/zinc/06/58/86/787065886.db2.gz KMJBUTBYIMGDDS-NSHDSACASA-N 1 0 335.426 -1.580 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCC1=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639609 787066995 /nfs/dbraw/zinc/06/69/95/787066995.db2.gz KTLDPRILTHKNMU-JTQLQIEISA-N 1 0 346.409 -2.772 20 0 EAADRO CC1(C)CO[C@@H](C[NH2+]CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001131639616 787065841 /nfs/dbraw/zinc/06/58/41/787065841.db2.gz LACHSBCVAKALGK-MNOVXSKESA-N 1 0 347.437 -1.580 20 0 EAADRO CC1(C)CO[C@H](C[NH2+]CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001131639617 787066609 /nfs/dbraw/zinc/06/66/09/787066609.db2.gz LACHSBCVAKALGK-QWRGUYRKSA-N 1 0 347.437 -1.580 20 0 EAADRO O=C(NCC[NH2+]CCn1cccn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639619 787065939 /nfs/dbraw/zinc/06/59/39/787065939.db2.gz LEMFQNMOBBFCQD-JTQLQIEISA-N 1 0 329.382 -2.498 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639636 787067131 /nfs/dbraw/zinc/06/71/31/787067131.db2.gz LNPHRHFHUCIGRC-JTQLQIEISA-N 1 0 348.425 -2.622 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1=O ZINC001131639637 787066425 /nfs/dbraw/zinc/06/64/25/787066425.db2.gz LPVWKNDLRLZIJS-UWVGGRQHSA-N 1 0 346.409 -2.774 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1=O ZINC001131639638 787066869 /nfs/dbraw/zinc/06/68/69/787066869.db2.gz LPVWKNDLRLZIJS-ZJUUUORDSA-N 1 0 346.409 -2.774 20 0 EAADRO CC(C)CCOCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639644 787065966 /nfs/dbraw/zinc/06/59/66/787065966.db2.gz LYGHXDTXDBFHCX-LBPRGKRZSA-N 1 0 349.453 -1.332 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCC1 ZINC001131639648 787066471 /nfs/dbraw/zinc/06/64/71/787066471.db2.gz MCARGTIQHUWGSG-JTQLQIEISA-N 1 0 346.409 -2.772 20 0 EAADRO O=C(NCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001131639651 787066612 /nfs/dbraw/zinc/06/66/12/787066612.db2.gz MFKYIMUHMWBMJD-JTQLQIEISA-N 1 0 346.409 -2.868 20 0 EAADRO O=C(NCC[NH2+]CCOCC1CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639661 787066939 /nfs/dbraw/zinc/06/69/39/787066939.db2.gz MPGHKHKZLDURHR-NSHDSACASA-N 1 0 333.410 -1.968 20 0 EAADRO CCO[C@H](C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001131639669 787066721 /nfs/dbraw/zinc/06/67/21/787066721.db2.gz MVTXOGCLERABCF-NWDGAFQWSA-N 1 0 347.437 -1.580 20 0 EAADRO CCO[C@@H](C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001131639670 787067071 /nfs/dbraw/zinc/06/70/71/787067071.db2.gz MVTXOGCLERABCF-RYUDHWBXSA-N 1 0 347.437 -1.580 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001131639678 787066852 /nfs/dbraw/zinc/06/68/52/787066852.db2.gz NHDRVNPPQZLQFM-LLVKDONJSA-N 1 0 344.441 -1.596 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001131639679 787066563 /nfs/dbraw/zinc/06/65/63/787066563.db2.gz NHDRVNPPQZLQFM-NSHDSACASA-N 1 0 344.441 -1.596 20 0 EAADRO O=C(NCC[NH2+]CCc1ccccc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639802 787066508 /nfs/dbraw/zinc/06/65/08/787066508.db2.gz OKNJBUYJCBXULI-ZDUSSCGKSA-N 1 0 339.417 -1.152 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)N(C)C ZINC001131639821 787067890 /nfs/dbraw/zinc/06/78/90/787067890.db2.gz PFIRFAFDBOVTDZ-BDAKNGLRSA-N 1 0 334.398 -2.918 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)N(C)C ZINC001131639822 787068266 /nfs/dbraw/zinc/06/82/66/787068266.db2.gz PFIRFAFDBOVTDZ-IUCAKERBSA-N 1 0 334.398 -2.918 20 0 EAADRO O=C(NCC[NH2+]CCc1ccns1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639851 787068444 /nfs/dbraw/zinc/06/84/44/787068444.db2.gz QJNGKVUDFNNYAJ-JTQLQIEISA-N 1 0 346.434 -1.695 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)NC1CC1 ZINC001131639859 787068598 /nfs/dbraw/zinc/06/85/98/787068598.db2.gz QVCQSZWDYLQRPD-SCZZXKLOSA-N 1 0 346.409 -2.728 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)NC1CC1 ZINC001131639860 787069165 /nfs/dbraw/zinc/06/91/65/787069165.db2.gz QVCQSZWDYLQRPD-WPRPVWTQSA-N 1 0 346.409 -2.728 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639901 787067843 /nfs/dbraw/zinc/06/78/43/787067843.db2.gz SINBZAJULJEDDX-UWVGGRQHSA-N 1 0 348.425 -2.480 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639902 787069497 /nfs/dbraw/zinc/06/94/97/787069497.db2.gz SINBZAJULJEDDX-ZJUUUORDSA-N 1 0 348.425 -2.480 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639906 787067726 /nfs/dbraw/zinc/06/77/26/787067726.db2.gz SQYIJTNMMNQPAD-NSHDSACASA-N 1 0 343.409 -2.418 20 0 EAADRO CO[C@H](C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CCC1 ZINC001131639981 787068278 /nfs/dbraw/zinc/06/82/78/787068278.db2.gz WKLVJQOSZJNATQ-NWDGAFQWSA-N 1 0 347.437 -1.580 20 0 EAADRO CO[C@@H](C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CCC1 ZINC001131639982 787068188 /nfs/dbraw/zinc/06/81/88/787068188.db2.gz WKLVJQOSZJNATQ-RYUDHWBXSA-N 1 0 347.437 -1.580 20 0 EAADRO O=C(NCC[NH2+]CC1CCOCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131640001 787068493 /nfs/dbraw/zinc/06/84/93/787068493.db2.gz WXZYCKZKOOQJRA-NSHDSACASA-N 1 0 333.410 -1.968 20 0 EAADRO O=C(NCC[NH2+]Cc1ccsc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131640206 787068998 /nfs/dbraw/zinc/06/89/98/787068998.db2.gz XWCRAZDJEHUCTF-JTQLQIEISA-N 1 0 331.419 -1.133 20 0 EAADRO O=C(NCC[NH2+]Cc1ccns1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131640212 787067741 /nfs/dbraw/zinc/06/77/41/787067741.db2.gz YBYYXHQLVHQYQV-VIFPVBQESA-N 1 0 332.407 -1.738 20 0 EAADRO CCCCOCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131640226 787068023 /nfs/dbraw/zinc/06/80/23/787068023.db2.gz YQEIXWBDNVFFBY-NSHDSACASA-N 1 0 335.426 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ZINC001131641066 787069228 /nfs/dbraw/zinc/06/92/28/787069228.db2.gz HHJHGOXFPDVBDQ-WPRPVWTQSA-N 1 0 337.384 -1.562 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131641110 787067788 /nfs/dbraw/zinc/06/77/88/787067788.db2.gz ACJIQYIFIDODNR-DOMZBBRYSA-N 1 0 329.397 -1.438 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131641111 787068222 /nfs/dbraw/zinc/06/82/22/787068222.db2.gz ACJIQYIFIDODNR-IUODEOHRSA-N 1 0 329.397 -1.438 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131641112 787068917 /nfs/dbraw/zinc/06/89/17/787068917.db2.gz ACJIQYIFIDODNR-SWLSCSKDSA-N 1 0 329.397 -1.438 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131641113 787069586 /nfs/dbraw/zinc/06/95/86/787069586.db2.gz ACJIQYIFIDODNR-WFASDCNBSA-N 1 0 329.397 -1.438 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCc1nccn1C)S(C)(=O)=O ZINC001131641221 787068860 /nfs/dbraw/zinc/06/88/60/787068860.db2.gz JTRBFSANVKZZOH-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)S(C)(=O)=O ZINC001131641303 787068286 /nfs/dbraw/zinc/06/82/86/787068286.db2.gz NFTJACYFUFWRLI-RWMBFGLXSA-N 1 0 349.453 -1.365 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N1CCOCC1 ZINC001131641532 787069566 /nfs/dbraw/zinc/06/95/66/787069566.db2.gz OKWSUEPAQDSTQH-KCQAQPDRSA-N 1 0 341.408 -1.398 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131641798 787069753 /nfs/dbraw/zinc/06/97/53/787069753.db2.gz UADVGLDCDCHNSC-JBLDHEPKSA-N 1 0 328.369 -1.801 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131642027 787068788 /nfs/dbraw/zinc/06/87/88/787068788.db2.gz XELKQWQNTJRNBQ-KCQAQPDRSA-N 1 0 343.424 -1.104 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131642081 787069718 /nfs/dbraw/zinc/06/97/18/787069718.db2.gz YDTAJDHAFPIZBZ-GMXVVIOVSA-N 1 0 342.396 -1.411 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131642154 787068617 /nfs/dbraw/zinc/06/86/17/787068617.db2.gz ZVYIZDNNFPXLHR-KCQAQPDRSA-N 1 0 343.424 -1.104 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131644753 787069110 /nfs/dbraw/zinc/06/91/10/787069110.db2.gz FQDYGQLFYRGUTJ-MEWQQHAOSA-N 1 0 325.365 -1.451 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131644754 787068422 /nfs/dbraw/zinc/06/84/22/787068422.db2.gz FQDYGQLFYRGUTJ-MRBYEJRBSA-N 1 0 325.365 -1.451 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131644841 787067822 /nfs/dbraw/zinc/06/78/22/787067822.db2.gz JIIZIHWZORQCHB-SOUVJXGZSA-N 1 0 343.424 -1.104 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131645046 787068818 /nfs/dbraw/zinc/06/88/18/787068818.db2.gz OFDWKQPHZFSZNM-RWMBFGLXSA-N 1 0 349.453 -1.317 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131645053 787068248 /nfs/dbraw/zinc/06/82/48/787068248.db2.gz OKUIHEOIJNOTDX-LJISPDSOSA-N 1 0 346.424 -1.232 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131645054 787068968 /nfs/dbraw/zinc/06/89/68/787068968.db2.gz OKUIHEOIJNOTDX-ZQDZILKHSA-N 1 0 346.424 -1.232 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131645065 787069614 /nfs/dbraw/zinc/06/96/14/787069614.db2.gz OWMLQBSMVJZDMD-GMXVVIOVSA-N 1 0 340.380 -1.705 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131645110 787069353 /nfs/dbraw/zinc/06/93/53/787069353.db2.gz RGEVFXCKOGMYDO-SDDRHHMPSA-N 1 0 335.426 -1.707 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131645261 787069055 /nfs/dbraw/zinc/06/90/55/787069055.db2.gz TYFKJISWQWUDNS-RWMBFGLXSA-N 1 0 326.397 -1.231 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NC(N)=O ZINC001131648327 787069409 /nfs/dbraw/zinc/06/94/09/787069409.db2.gz UKEAKUMKIJKWIB-VPOLOUISSA-N 1 0 328.369 -1.673 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NC(N)=O ZINC001131648330 787068893 /nfs/dbraw/zinc/06/88/93/787068893.db2.gz UKEAKUMKIJKWIB-XWLWVQCSSA-N 1 0 328.369 -1.673 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131648376 787068009 /nfs/dbraw/zinc/06/80/09/787068009.db2.gz VXQVEGJNRGBDND-FIQHERPVSA-N 1 0 342.396 -1.412 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131648378 787068945 /nfs/dbraw/zinc/06/89/45/787068945.db2.gz VXQVEGJNRGBDND-NOOOWODRSA-N 1 0 342.396 -1.412 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131648474 787068485 /nfs/dbraw/zinc/06/84/85/787068485.db2.gz YCKSKYPWQKGLCA-SLEUVZQESA-N 1 0 339.392 -1.107 20 0 EAADRO CC(C)COCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652147 787070189 /nfs/dbraw/zinc/07/01/89/787070189.db2.gz ABFHVNNIXMMQDD-NSHDSACASA-N 1 0 335.426 -1.722 20 0 EAADRO O=C(NCC[NH2+]CC=C(Cl)Cl)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652153 787071099 /nfs/dbraw/zinc/07/10/99/787071099.db2.gz AFVYHLWSSVXXHZ-ZETCQYMHSA-N 1 0 344.220 -1.076 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC1 ZINC001131652167 787070975 /nfs/dbraw/zinc/07/09/75/787070975.db2.gz ARYQVPISQFLVPM-VIFPVBQESA-N 1 0 332.382 -3.162 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652168 787070670 /nfs/dbraw/zinc/07/06/70/787070670.db2.gz ASOIGJOZUUJMEI-JTQLQIEISA-N 1 0 348.425 -2.528 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652176 787070071 /nfs/dbraw/zinc/07/00/71/787070071.db2.gz BDGQNBZKFZLICY-VIFPVBQESA-N 1 0 334.398 -2.870 20 0 EAADRO O=C(NCC[NH2+]CC1CC(F)(F)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652185 787071402 /nfs/dbraw/zinc/07/14/02/787071402.db2.gz BSOVNNNDRROGOY-VIFPVBQESA-N 1 0 339.364 -1.349 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)NC1CC1 ZINC001131652187 787071666 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/nfs/dbraw/zinc/08/75/81/787087581.db2.gz MEWASFJUMAAYHG-UHFFFAOYSA-N 1 0 342.400 -2.170 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)c1=O ZINC001131769221 787087287 /nfs/dbraw/zinc/08/72/87/787087287.db2.gz MXGDMPCHOWABKE-LLVKDONJSA-N 1 0 334.384 -1.543 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)c1=O ZINC001131769222 787088043 /nfs/dbraw/zinc/08/80/43/787088043.db2.gz MXGDMPCHOWABKE-NSHDSACASA-N 1 0 334.384 -1.543 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)c1=O ZINC001131769227 787087557 /nfs/dbraw/zinc/08/75/57/787087557.db2.gz NEZSFLALHKXPIJ-GFCCVEGCSA-N 1 0 338.412 -1.406 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)c1=O ZINC001131769228 787088147 /nfs/dbraw/zinc/08/81/47/787088147.db2.gz NEZSFLALHKXPIJ-LBPRGKRZSA-N 1 0 338.412 -1.406 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131769342 787087885 /nfs/dbraw/zinc/08/78/85/787087885.db2.gz NQMLZNUALBXNJZ-UHFFFAOYSA-N 1 0 347.441 -1.498 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)c1=O ZINC001131769376 787088160 /nfs/dbraw/zinc/08/81/60/787088160.db2.gz OLYYZIPEPZNZQV-UHFFFAOYSA-N 1 0 340.428 -1.160 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]CCN2CCNC2=O)c1=O ZINC001131769423 787087298 /nfs/dbraw/zinc/08/72/98/787087298.db2.gz QGHZINVWVPJMPD-UHFFFAOYSA-N 1 0 325.373 -2.297 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)c1=O ZINC001131769516 787087957 /nfs/dbraw/zinc/08/79/57/787087957.db2.gz WAXXTXNLQGONIF-LLVKDONJSA-N 1 0 345.425 -1.888 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1=O ZINC001131769517 787087257 /nfs/dbraw/zinc/08/72/57/787087257.db2.gz WAXXTXNLQGONIF-NSHDSACASA-N 1 0 345.425 -1.888 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)c1=O ZINC001131769538 787088703 /nfs/dbraw/zinc/08/87/03/787088703.db2.gz XAQBBCDCABWOLI-SECBINFHSA-N 1 0 339.318 -1.009 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)c1=O ZINC001131769539 787087784 /nfs/dbraw/zinc/08/77/84/787087784.db2.gz XAQBBCDCABWOLI-VIFPVBQESA-N 1 0 339.318 -1.009 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]CCNS(C)(=O)=O)c1=O ZINC001131769541 787088853 /nfs/dbraw/zinc/08/88/53/787088853.db2.gz XEEZWLRFUGSUTK-UHFFFAOYSA-N 1 0 334.402 -2.773 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c1=O ZINC001131769569 787087310 /nfs/dbraw/zinc/08/73/10/787087310.db2.gz XZUPUGPQPITJMS-UHFFFAOYSA-N 1 0 339.356 -2.771 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771315 787087765 /nfs/dbraw/zinc/08/77/65/787087765.db2.gz AAMWPPSQPYGOPT-GFCCVEGCSA-N 1 0 340.428 -1.065 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771316 787088182 /nfs/dbraw/zinc/08/81/82/787088182.db2.gz AAMWPPSQPYGOPT-LBPRGKRZSA-N 1 0 340.428 -1.065 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771320 787088871 /nfs/dbraw/zinc/08/88/71/787088871.db2.gz AJLALUPFSKATGV-LLVKDONJSA-N 1 0 326.401 -1.408 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771321 787087745 /nfs/dbraw/zinc/08/77/45/787087745.db2.gz AJLALUPFSKATGV-NSHDSACASA-N 1 0 326.401 -1.408 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]CC(=O)Nc2ccon2)c1=O ZINC001131771341 787087967 /nfs/dbraw/zinc/08/79/67/787087967.db2.gz BEOQHYJWMCQTRD-UHFFFAOYSA-N 1 0 337.340 -1.696 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771354 787087529 /nfs/dbraw/zinc/08/75/29/787087529.db2.gz BKYYVSJMSIZRAD-GFCCVEGCSA-N 1 0 340.428 -1.067 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771355 787088664 /nfs/dbraw/zinc/08/86/64/787088664.db2.gz BKYYVSJMSIZRAD-LBPRGKRZSA-N 1 0 340.428 -1.067 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)C(=O)NC(C)(C)C ZINC001131771423 787088824 /nfs/dbraw/zinc/08/88/24/787088824.db2.gz DVRCRZARVGGDBS-LLVKDONJSA-N 1 0 340.428 -1.019 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)C(=O)NC(C)(C)C ZINC001131771427 787087933 /nfs/dbraw/zinc/08/79/33/787087933.db2.gz DVRCRZARVGGDBS-NSHDSACASA-N 1 0 340.428 -1.019 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)C(=O)NC(N)=O ZINC001131771557 787088533 /nfs/dbraw/zinc/08/85/33/787088533.db2.gz GTFDPTWXOQPXML-MRVPVSSYSA-N 1 0 327.345 -2.739 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)C(=O)NC(N)=O ZINC001131771561 787088748 /nfs/dbraw/zinc/08/87/48/787088748.db2.gz GTFDPTWXOQPXML-QMMMGPOBSA-N 1 0 327.345 -2.739 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771854 787087915 /nfs/dbraw/zinc/08/79/15/787087915.db2.gz LVCNDVDSSFUZSI-GFCCVEGCSA-N 1 0 340.428 -1.162 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771856 787088771 /nfs/dbraw/zinc/08/87/71/787088771.db2.gz LVCNDVDSSFUZSI-LBPRGKRZSA-N 1 0 340.428 -1.162 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)COCC(F)F)C(=O)N(C)C ZINC001131771859 787088051 /nfs/dbraw/zinc/08/80/51/787088051.db2.gz LYNJUHACHSUPLR-SECBINFHSA-N 1 0 338.355 -1.433 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)COCC(F)F)C(=O)N(C)C ZINC001131771865 787087368 /nfs/dbraw/zinc/08/73/68/787087368.db2.gz LYNJUHACHSUPLR-VIFPVBQESA-N 1 0 338.355 -1.433 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001131771896 787088510 /nfs/dbraw/zinc/08/85/10/787088510.db2.gz MSXFROGKVMMAOW-UHFFFAOYSA-N 1 0 338.412 -1.311 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771913 787088733 /nfs/dbraw/zinc/08/87/33/787088733.db2.gz NNMSADFJXJDGAE-NEPJUHHUSA-N 1 0 340.428 -1.019 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771914 787087812 /nfs/dbraw/zinc/08/78/12/787087812.db2.gz NNMSADFJXJDGAE-NWDGAFQWSA-N 1 0 340.428 -1.019 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771915 787088470 /nfs/dbraw/zinc/08/84/70/787088470.db2.gz NNMSADFJXJDGAE-RYUDHWBXSA-N 1 0 340.428 -1.019 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771916 787087894 /nfs/dbraw/zinc/08/78/94/787087894.db2.gz NNMSADFJXJDGAE-VXGBXAGGSA-N 1 0 340.428 -1.019 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)COCC(F)F)n(C)c1=O ZINC001131771926 787088261 /nfs/dbraw/zinc/08/82/61/787088261.db2.gz OARILCCAIVJBQS-UHFFFAOYSA-N 1 0 334.323 -1.429 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771945 787088342 /nfs/dbraw/zinc/08/83/42/787088342.db2.gz OYMRRSCABWCNAO-SECBINFHSA-N 1 0 341.372 -2.478 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131771946 787087637 /nfs/dbraw/zinc/08/76/37/787087637.db2.gz OYMRRSCABWCNAO-VIFPVBQESA-N 1 0 341.372 -2.478 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)CCn1ncn(C)c1=O)CS(C)(=O)=O ZINC001131771949 787088427 /nfs/dbraw/zinc/08/84/27/787088427.db2.gz PBEKTKUFDVHRLU-LLVKDONJSA-N 1 0 347.441 -1.642 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)CCn1ncn(C)c1=O)CS(C)(=O)=O ZINC001131771950 787088140 /nfs/dbraw/zinc/08/81/40/787088140.db2.gz PBEKTKUFDVHRLU-NSHDSACASA-N 1 0 347.441 -1.642 20 0 EAADRO O=C(COCC(F)F)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001131771959 787087803 /nfs/dbraw/zinc/08/78/03/787087803.db2.gz PFZIGNNUGNUFKJ-SECBINFHSA-N 1 0 337.323 -1.516 20 0 EAADRO O=C(COCC(F)F)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001131771961 787087797 /nfs/dbraw/zinc/08/77/97/787087797.db2.gz PFZIGNNUGNUFKJ-VIFPVBQESA-N 1 0 337.323 -1.516 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)c1=O ZINC001131772021 787088439 /nfs/dbraw/zinc/08/84/39/787088439.db2.gz QCNJBQRMGBATTP-GFCCVEGCSA-N 1 0 337.384 -2.065 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)c1=O ZINC001131772023 787087591 /nfs/dbraw/zinc/08/75/91/787087591.db2.gz QCNJBQRMGBATTP-LBPRGKRZSA-N 1 0 337.384 -2.065 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131772025 787088363 /nfs/dbraw/zinc/08/83/63/787088363.db2.gz QDUYJVSVKRUMEY-UHFFFAOYSA-N 1 0 340.428 -1.018 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)c1=O ZINC001131772197 787087852 /nfs/dbraw/zinc/08/78/52/787087852.db2.gz TVHXADINGZHSND-UHFFFAOYSA-N 1 0 338.368 -2.173 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131772212 787087239 /nfs/dbraw/zinc/08/72/39/787087239.db2.gz UHIAUMZOSZTPBS-GFCCVEGCSA-N 1 0 340.428 -1.018 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131772214 787088628 /nfs/dbraw/zinc/08/86/28/787088628.db2.gz UHIAUMZOSZTPBS-LBPRGKRZSA-N 1 0 340.428 -1.018 20 0 EAADRO Cn1cnn(CCC(=O)NCC[NH2+]CCCN2CCCC2=O)c1=O ZINC001131772238 787087605 /nfs/dbraw/zinc/08/76/05/787087605.db2.gz UNDKTCSGJIUYNT-UHFFFAOYSA-N 1 0 338.412 -1.310 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001131772298 787087987 /nfs/dbraw/zinc/08/79/87/787087987.db2.gz VMDZFMXFIQZCSG-LLVKDONJSA-N 1 0 338.412 -1.408 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001131772299 787088804 /nfs/dbraw/zinc/08/88/04/787088804.db2.gz VMDZFMXFIQZCSG-NSHDSACASA-N 1 0 338.412 -1.408 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)CCn2ncn(C)c2=O)C1=O ZINC001131772315 787088897 /nfs/dbraw/zinc/08/88/97/787088897.db2.gz WHPJCULKCFICAZ-GFCCVEGCSA-N 1 0 338.412 -1.313 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)CCn2ncn(C)c2=O)C1=O ZINC001131772316 787088064 /nfs/dbraw/zinc/08/80/64/787088064.db2.gz WHPJCULKCFICAZ-LBPRGKRZSA-N 1 0 338.412 -1.313 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131772356 787088490 /nfs/dbraw/zinc/08/84/90/787088490.db2.gz XTZGVVUEKBJYBM-CYBMUJFWSA-N 1 0 343.428 -1.289 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131772357 787088763 /nfs/dbraw/zinc/08/87/63/787088763.db2.gz XTZGVVUEKBJYBM-ZDUSSCGKSA-N 1 0 343.428 -1.289 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131772441 787088240 /nfs/dbraw/zinc/08/82/40/787088240.db2.gz ZXGRHKIPIGGLAI-GFCCVEGCSA-N 1 0 340.428 -1.018 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131772443 787088715 /nfs/dbraw/zinc/08/87/15/787088715.db2.gz ZXGRHKIPIGGLAI-LBPRGKRZSA-N 1 0 340.428 -1.018 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(C)C)S(N)(=O)=O ZINC001131777064 787087707 /nfs/dbraw/zinc/08/77/07/787087707.db2.gz ANFQIXQIWFBHTI-LLVKDONJSA-N 1 0 336.458 -1.078 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(C)C)S(N)(=O)=O ZINC001131777065 787087677 /nfs/dbraw/zinc/08/76/77/787087677.db2.gz ANFQIXQIWFBHTI-NSHDSACASA-N 1 0 336.458 -1.078 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)S(N)(=O)=O ZINC001131777068 787088838 /nfs/dbraw/zinc/08/88/38/787088838.db2.gz AOQPRXQAARSGLL-SECBINFHSA-N 1 0 344.459 -2.301 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)S(N)(=O)=O ZINC001131777069 787090085 /nfs/dbraw/zinc/09/00/85/787090085.db2.gz AOQPRXQAARSGLL-VIFPVBQESA-N 1 0 344.459 -2.301 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)S(N)(=O)=O ZINC001131777074 787089788 /nfs/dbraw/zinc/08/97/88/787089788.db2.gz ASVSOKBTEDEROE-GXSJLCMTSA-N 1 0 334.442 -1.184 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)S(N)(=O)=O ZINC001131777075 787089888 /nfs/dbraw/zinc/08/98/88/787089888.db2.gz ASVSOKBTEDEROE-KOLCDFICSA-N 1 0 334.442 -1.184 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)S(N)(=O)=O ZINC001131777076 787089907 /nfs/dbraw/zinc/08/99/07/787089907.db2.gz ASVSOKBTEDEROE-MWLCHTKSSA-N 1 0 334.442 -1.184 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)S(N)(=O)=O ZINC001131777077 787090031 /nfs/dbraw/zinc/09/00/31/787090031.db2.gz ASVSOKBTEDEROE-ONGXEEELSA-N 1 0 334.442 -1.184 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)S(N)(=O)=O ZINC001131777078 787090120 /nfs/dbraw/zinc/09/01/20/787090120.db2.gz AURQKKHFALYRJJ-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)S(N)(=O)=O ZINC001131777079 787090309 /nfs/dbraw/zinc/09/03/09/787090309.db2.gz AURQKKHFALYRJJ-MNOVXSKESA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)S(N)(=O)=O ZINC001131777080 787090508 /nfs/dbraw/zinc/09/05/08/787090508.db2.gz AURQKKHFALYRJJ-QWRGUYRKSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)S(N)(=O)=O ZINC001131777081 787090431 /nfs/dbraw/zinc/09/04/31/787090431.db2.gz AURQKKHFALYRJJ-WDEREUQCSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCOCCOC)S(N)(=O)=O ZINC001131777104 787090561 /nfs/dbraw/zinc/09/05/61/787090561.db2.gz BJGIXVJJNDRWDK-LLVKDONJSA-N 1 0 325.431 -1.188 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCOCCOC)S(N)(=O)=O ZINC001131777105 787089519 /nfs/dbraw/zinc/08/95/19/787089519.db2.gz BJGIXVJJNDRWDK-NSHDSACASA-N 1 0 325.431 -1.188 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001131777145 787090805 /nfs/dbraw/zinc/09/08/05/787090805.db2.gz CCNLASNMGLRRAO-BDAKNGLRSA-N 1 0 334.398 -2.045 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001131777146 787090011 /nfs/dbraw/zinc/09/00/11/787090011.db2.gz CCNLASNMGLRRAO-DTWKUNHWSA-N 1 0 334.398 -2.045 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001131777147 787090498 /nfs/dbraw/zinc/09/04/98/787090498.db2.gz CCNLASNMGLRRAO-IUCAKERBSA-N 1 0 334.398 -2.045 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001131777148 787089345 /nfs/dbraw/zinc/08/93/45/787089345.db2.gz CCNLASNMGLRRAO-RKDXNWHRSA-N 1 0 334.398 -2.045 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)S(N)(=O)=O ZINC001131777168 787090721 /nfs/dbraw/zinc/09/07/21/787090721.db2.gz CWHZIXTVTZAEIN-MRVPVSSYSA-N 1 0 337.402 -2.395 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)S(N)(=O)=O ZINC001131777169 787089952 /nfs/dbraw/zinc/08/99/52/787089952.db2.gz CWHZIXTVTZAEIN-QMMMGPOBSA-N 1 0 337.402 -2.395 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)S(N)(=O)=O ZINC001131777241 787090160 /nfs/dbraw/zinc/09/01/60/787090160.db2.gz FZSYHLLEZUKONB-JTQLQIEISA-N 1 0 348.425 -1.702 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)S(N)(=O)=O ZINC001131777242 787089669 /nfs/dbraw/zinc/08/96/69/787089669.db2.gz FZSYHLLEZUKONB-SNVBAGLBSA-N 1 0 348.425 -1.702 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CC(=O)Nc1ccon1)S(N)(=O)=O ZINC001131777245 787090419 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-2.267 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)S(N)(=O)=O ZINC001131777327 787087466 /nfs/dbraw/zinc/08/74/66/787087466.db2.gz IYZSLVIFDXLJHY-JTQLQIEISA-N 1 0 343.471 -1.416 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)S(N)(=O)=O ZINC001131777328 787087617 /nfs/dbraw/zinc/08/76/17/787087617.db2.gz IYZSLVIFDXLJHY-SNVBAGLBSA-N 1 0 343.471 -1.416 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O)S(N)(=O)=O ZINC001131777353 787088451 /nfs/dbraw/zinc/08/84/51/787088451.db2.gz JKASAXAJWSMBFM-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O)S(N)(=O)=O ZINC001131777354 787087440 /nfs/dbraw/zinc/08/74/40/787087440.db2.gz JKASAXAJWSMBFM-MNOVXSKESA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O)S(N)(=O)=O ZINC001131777355 787087503 /nfs/dbraw/zinc/08/75/03/787087503.db2.gz JKASAXAJWSMBFM-QWRGUYRKSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O)S(N)(=O)=O ZINC001131777356 787087829 /nfs/dbraw/zinc/08/78/29/787087829.db2.gz JKASAXAJWSMBFM-WDEREUQCSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)S(N)(=O)=O ZINC001131777389 787088791 /nfs/dbraw/zinc/08/87/91/787088791.db2.gz KDUUXGBPSGMFLD-SECBINFHSA-N 1 0 329.444 -1.806 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)S(N)(=O)=O ZINC001131777390 787088218 /nfs/dbraw/zinc/08/82/18/787088218.db2.gz KDUUXGBPSGMFLD-VIFPVBQESA-N 1 0 329.444 -1.806 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)S(N)(=O)=O ZINC001131777438 787088813 /nfs/dbraw/zinc/08/88/13/787088813.db2.gz LFTNOWZPNALDHY-LLVKDONJSA-N 1 0 334.442 -1.324 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)S(N)(=O)=O ZINC001131777439 787087565 /nfs/dbraw/zinc/08/75/65/787087565.db2.gz LFTNOWZPNALDHY-NSHDSACASA-N 1 0 334.442 -1.324 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)S(N)(=O)=O ZINC001131777515 787090348 /nfs/dbraw/zinc/09/03/48/787090348.db2.gz NMMGDFFCNAPEFB-GHMZBOCLSA-N 1 0 344.441 -1.072 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)S(N)(=O)=O ZINC001131777516 787089185 /nfs/dbraw/zinc/08/91/85/787089185.db2.gz NMMGDFFCNAPEFB-MNOVXSKESA-N 1 0 344.441 -1.072 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)S(N)(=O)=O ZINC001131777517 787090326 /nfs/dbraw/zinc/09/03/26/787090326.db2.gz NMMGDFFCNAPEFB-QWRGUYRKSA-N 1 0 344.441 -1.072 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)S(N)(=O)=O ZINC001131777518 787090520 /nfs/dbraw/zinc/09/05/20/787090520.db2.gz NMMGDFFCNAPEFB-WDEREUQCSA-N 1 0 344.441 -1.072 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)S(N)(=O)=O ZINC001131777627 787093591 /nfs/dbraw/zinc/09/35/91/787093591.db2.gz QLTVITYBNWUELA-NEPJUHHUSA-N 1 0 347.441 -1.593 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)S(N)(=O)=O ZINC001131777628 787091670 /nfs/dbraw/zinc/09/16/70/787091670.db2.gz QLTVITYBNWUELA-NWDGAFQWSA-N 1 0 347.441 -1.593 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)S(N)(=O)=O ZINC001131777629 787093223 /nfs/dbraw/zinc/09/32/23/787093223.db2.gz QLTVITYBNWUELA-RYUDHWBXSA-N 1 0 347.441 -1.593 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)S(N)(=O)=O ZINC001131777630 787091520 /nfs/dbraw/zinc/09/15/20/787091520.db2.gz QLTVITYBNWUELA-VXGBXAGGSA-N 1 0 347.441 -1.593 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)S(N)(=O)=O ZINC001131777699 787092053 /nfs/dbraw/zinc/09/20/53/787092053.db2.gz RYHFPURXFFSCHV-LLVKDONJSA-N 1 0 334.442 -1.324 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC1CC1)S(N)(=O)=O ZINC001131777700 787091780 /nfs/dbraw/zinc/09/17/80/787091780.db2.gz RYHFPURXFFSCHV-NSHDSACASA-N 1 0 334.442 -1.324 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C1CC1)S(N)(=O)=O ZINC001131777770 787091559 /nfs/dbraw/zinc/09/15/59/787091559.db2.gz UNGFQGPKBPMZLU-LLVKDONJSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C1CC1)S(N)(=O)=O ZINC001131777771 787091289 /nfs/dbraw/zinc/09/12/89/787091289.db2.gz UNGFQGPKBPMZLU-NSHDSACASA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCN1CCCC1=O)S(N)(=O)=O ZINC001131777774 787091278 /nfs/dbraw/zinc/09/12/78/787091278.db2.gz URLHIVYLUCZVEN-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCN1CCCC1=O)S(N)(=O)=O ZINC001131777775 787093522 /nfs/dbraw/zinc/09/35/22/787093522.db2.gz URLHIVYLUCZVEN-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)S(N)(=O)=O ZINC001131777889 787093190 /nfs/dbraw/zinc/09/31/90/787093190.db2.gz YHBIDKROIURYAI-JTQLQIEISA-N 1 0 335.430 -1.825 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)S(N)(=O)=O ZINC001131777890 787091407 /nfs/dbraw/zinc/09/14/07/787091407.db2.gz YHBIDKROIURYAI-SNVBAGLBSA-N 1 0 335.430 -1.825 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)S(N)(=O)=O ZINC001131777924 787092422 /nfs/dbraw/zinc/09/24/22/787092422.db2.gz ZEBYYHOGBCQPGF-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCCC1)S(N)(=O)=O ZINC001131777925 787092510 /nfs/dbraw/zinc/09/25/10/787092510.db2.gz ZEBYYHOGBCQPGF-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]Cc1cnnn1CC)S(N)(=O)=O ZINC001131777930 787092232 /nfs/dbraw/zinc/09/22/32/787092232.db2.gz ZLAPAESAJCKUKX-LLVKDONJSA-N 1 0 332.430 -1.039 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]Cc1cnnn1CC)S(N)(=O)=O ZINC001131777931 787092094 /nfs/dbraw/zinc/09/20/94/787092094.db2.gz ZLAPAESAJCKUKX-NSHDSACASA-N 1 0 332.430 -1.039 20 0 EAADRO CCC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)S(N)(=O)=O ZINC001131777942 787091637 /nfs/dbraw/zinc/09/16/37/787091637.db2.gz ZUOASOPAHOOLAU-SECBINFHSA-N 1 0 349.413 -2.299 20 0 EAADRO CCC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)S(N)(=O)=O ZINC001131777943 787091959 /nfs/dbraw/zinc/09/19/59/787091959.db2.gz ZUOASOPAHOOLAU-VIFPVBQESA-N 1 0 349.413 -2.299 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCCCc1c[nH]nn1)C(=O)NC(N)=O ZINC001131780220 787092737 /nfs/dbraw/zinc/09/27/37/787092737.db2.gz JDZGNAWBEBQYOC-SECBINFHSA-N 1 0 325.373 -1.193 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCCCc1c[nH]nn1)C(=O)NC(N)=O ZINC001131780225 787093231 /nfs/dbraw/zinc/09/32/31/787093231.db2.gz JDZGNAWBEBQYOC-VIFPVBQESA-N 1 0 325.373 -1.193 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCCCc1c[nH]nn1 ZINC001131780375 787092332 /nfs/dbraw/zinc/09/23/32/787092332.db2.gz LHNHQVXJZBIKIE-UHFFFAOYSA-N 1 0 332.430 -1.228 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCCc1c[nH]nn1 ZINC001131780585 787092658 /nfs/dbraw/zinc/09/26/58/787092658.db2.gz REKRUZKFPFNONN-UHFFFAOYSA-N 1 0 325.373 -1.321 20 0 EAADRO O=C(CCCCc1c[nH]nn1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131780624 787092212 /nfs/dbraw/zinc/09/22/12/787092212.db2.gz SIOJJGHZAHIZBZ-UHFFFAOYSA-N 1 0 337.384 -1.225 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131782705 787092151 /nfs/dbraw/zinc/09/21/51/787092151.db2.gz BXXMTHPPHKBRPT-UHFFFAOYSA-N 1 0 326.353 -1.149 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)co1 ZINC001131782759 787091725 /nfs/dbraw/zinc/09/17/25/787091725.db2.gz FNOLRWHHUXHXPY-UHFFFAOYSA-N 1 0 337.336 -2.344 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131782795 787092489 /nfs/dbraw/zinc/09/24/89/787092489.db2.gz HFWATPXUOBOPRP-UHFFFAOYSA-N 1 0 326.353 -1.149 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)co1 ZINC001131782825 787092470 /nfs/dbraw/zinc/09/24/70/787092470.db2.gz IRHYERAGKNYPTI-UHFFFAOYSA-N 1 0 344.393 -1.267 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131782912 787092242 /nfs/dbraw/zinc/09/22/42/787092242.db2.gz LTVHMPHDEJXWNG-UHFFFAOYSA-N 1 0 339.352 -1.066 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)co1 ZINC001131782924 787092881 /nfs/dbraw/zinc/09/28/81/787092881.db2.gz MMGFQSLGMYUKQD-UHFFFAOYSA-N 1 0 337.336 -1.314 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)co1 ZINC001131782997 787094913 /nfs/dbraw/zinc/09/49/13/787094913.db2.gz PUVQIRFALDZAQX-LLVKDONJSA-N 1 0 338.364 -1.007 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)co1 ZINC001131782998 787094050 /nfs/dbraw/zinc/09/40/50/787094050.db2.gz PUVQIRFALDZAQX-NSHDSACASA-N 1 0 338.364 -1.007 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1coc(C(N)=O)c1)S(C)(=O)=O ZINC001131783023 787095812 /nfs/dbraw/zinc/09/58/12/787095812.db2.gz QQDAHLANWWYNPW-UHFFFAOYSA-N 1 0 332.382 -1.411 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)co1 ZINC001131783052 787095142 /nfs/dbraw/zinc/09/51/42/787095142.db2.gz RPTBACIGOXZPDC-UHFFFAOYSA-N 1 0 338.364 -1.007 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)co1 ZINC001131783088 787094590 /nfs/dbraw/zinc/09/45/90/787094590.db2.gz UAUZZJXZVYXPLQ-NSHDSACASA-N 1 0 338.364 -1.319 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131783109 787094134 /nfs/dbraw/zinc/09/41/34/787094134.db2.gz VLZKHYHTHBDFPL-UHFFFAOYSA-N 1 0 325.325 -1.456 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131783121 787094367 /nfs/dbraw/zinc/09/43/67/787094367.db2.gz WECJWZLKOVUBMQ-MRVPVSSYSA-N 1 0 339.352 -1.068 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131783122 787095286 /nfs/dbraw/zinc/09/52/86/787095286.db2.gz WECJWZLKOVUBMQ-QMMMGPOBSA-N 1 0 339.352 -1.068 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131786287 787095158 /nfs/dbraw/zinc/09/51/58/787095158.db2.gz LSTNMCMCTZLJFP-UHFFFAOYSA-N 1 0 332.382 -1.363 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131786309 787093782 /nfs/dbraw/zinc/09/37/82/787093782.db2.gz MZNVGOVBKSZMRJ-LLVKDONJSA-N 1 0 329.353 -1.278 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131786310 787094066 /nfs/dbraw/zinc/09/40/66/787094066.db2.gz MZNVGOVBKSZMRJ-NSHDSACASA-N 1 0 329.353 -1.278 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2coc(C(N)=O)c2)cc(=O)n(C)c1=O ZINC001131786399 787095832 /nfs/dbraw/zinc/09/58/32/787095832.db2.gz QIDINHJEOJDKGO-UHFFFAOYSA-N 1 0 349.347 -1.705 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131786423 787095495 /nfs/dbraw/zinc/09/54/95/787095495.db2.gz RUXNKVMYXMHNOU-SSDOTTSWSA-N 1 0 325.325 -1.458 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131786424 787095358 /nfs/dbraw/zinc/09/53/58/787095358.db2.gz RUXNKVMYXMHNOU-ZETCQYMHSA-N 1 0 325.325 -1.458 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)co1 ZINC001131786446 787095391 /nfs/dbraw/zinc/09/53/91/787095391.db2.gz SREOMWODGOSSRL-JTQLQIEISA-N 1 0 338.364 -1.149 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)co1 ZINC001131786447 787095229 /nfs/dbraw/zinc/09/52/29/787095229.db2.gz SREOMWODGOSSRL-SNVBAGLBSA-N 1 0 338.364 -1.149 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131786460 787095303 /nfs/dbraw/zinc/09/53/03/787095303.db2.gz SXLZGBOXLQMILG-UHFFFAOYSA-N 1 0 326.353 -1.149 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2coc(C(N)=O)c2)CCO1 ZINC001131786568 787093793 /nfs/dbraw/zinc/09/37/93/787093793.db2.gz XJXCDMQFPXJRNX-JTQLQIEISA-N 1 0 338.364 -1.055 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2coc(C(N)=O)c2)CCO1 ZINC001131786569 787095210 /nfs/dbraw/zinc/09/52/10/787095210.db2.gz XJXCDMQFPXJRNX-SNVBAGLBSA-N 1 0 338.364 -1.055 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)co1 ZINC001131786582 787093936 /nfs/dbraw/zinc/09/39/36/787093936.db2.gz XQYYZWZVHUSKLB-UHFFFAOYSA-N 1 0 337.336 -1.360 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131786591 787095133 /nfs/dbraw/zinc/09/51/33/787095133.db2.gz XWUTUHQIEZXBOK-UHFFFAOYSA-N 1 0 346.409 -1.021 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131791632 787093343 /nfs/dbraw/zinc/09/33/43/787093343.db2.gz BDFAWVRTQMRJHC-AAEUAGOBSA-N 1 0 343.428 -1.224 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131791633 787093564 /nfs/dbraw/zinc/09/35/64/787093564.db2.gz BDFAWVRTQMRJHC-DGCLKSJQSA-N 1 0 343.428 -1.224 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131791634 787092182 /nfs/dbraw/zinc/09/21/82/787092182.db2.gz BDFAWVRTQMRJHC-WCQYABFASA-N 1 0 343.428 -1.224 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131791635 787091882 /nfs/dbraw/zinc/09/18/82/787091882.db2.gz BDFAWVRTQMRJHC-YPMHNXCESA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001131791832 787091688 /nfs/dbraw/zinc/09/16/88/787091688.db2.gz FNCWQUPICVGXOM-NXEZZACHSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001131791833 787092604 /nfs/dbraw/zinc/09/26/04/787092604.db2.gz FNCWQUPICVGXOM-UWVGGRQHSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001131791834 787091456 /nfs/dbraw/zinc/09/14/56/787091456.db2.gz FNCWQUPICVGXOM-VHSXEESVSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001131791835 787092717 /nfs/dbraw/zinc/09/27/17/787092717.db2.gz FNCWQUPICVGXOM-ZJUUUORDSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1CCNC1=O ZINC001131792356 787092929 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C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001131798011 787093916 /nfs/dbraw/zinc/09/39/16/787093916.db2.gz PKLRMZDUSRSRRY-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001131798012 787095853 /nfs/dbraw/zinc/09/58/53/787095853.db2.gz PKLRMZDUSRSRRY-QWRGUYRKSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001131798013 787094565 /nfs/dbraw/zinc/09/45/65/787094565.db2.gz PKLRMZDUSRSRRY-WDEREUQCSA-N 1 0 339.396 -1.227 20 0 EAADRO CC(C)n1cnc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001131818831 787097873 /nfs/dbraw/zinc/09/78/73/787097873.db2.gz BZEVPZVVHDZIED-UHFFFAOYSA-N 1 0 336.396 -1.258 20 0 EAADRO CCCCN1CCOC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001131821491 787095787 /nfs/dbraw/zinc/09/57/87/787095787.db2.gz AJBHYWSLTCGQJU-NEPJUHHUSA-N 1 0 343.428 -1.224 20 0 EAADRO CCCCN1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001131821492 787094854 /nfs/dbraw/zinc/09/48/54/787094854.db2.gz AJBHYWSLTCGQJU-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO CCCCN1CCOC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001131821493 787093847 /nfs/dbraw/zinc/09/38/47/787093847.db2.gz AJBHYWSLTCGQJU-RYUDHWBXSA-N 1 0 343.428 -1.224 20 0 EAADRO CCCCN1CCOC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001131821494 787095094 /nfs/dbraw/zinc/09/50/94/787095094.db2.gz AJBHYWSLTCGQJU-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO CCCCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131821876 787094388 /nfs/dbraw/zinc/09/43/88/787094388.db2.gz FWYXWPMBPZHQKP-LLVKDONJSA-N 1 0 329.401 -1.612 20 0 EAADRO CCCCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131821877 787094981 /nfs/dbraw/zinc/09/49/81/787094981.db2.gz FWYXWPMBPZHQKP-NSHDSACASA-N 1 0 329.401 -1.612 20 0 EAADRO CCCCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001131822112 787095175 /nfs/dbraw/zinc/09/51/75/787095175.db2.gz JLJLHEIFWMCAMF-GFCCVEGCSA-N 1 0 343.428 -1.351 20 0 EAADRO CCCCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001131822113 787095053 /nfs/dbraw/zinc/09/50/53/787095053.db2.gz JLJLHEIFWMCAMF-LBPRGKRZSA-N 1 0 343.428 -1.351 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC001131822869 787095602 /nfs/dbraw/zinc/09/56/02/787095602.db2.gz WPAWGORZLHYDED-GFCCVEGCSA-N 1 0 341.412 -1.612 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC001131822870 787094943 /nfs/dbraw/zinc/09/49/43/787094943.db2.gz WPAWGORZLHYDED-LBPRGKRZSA-N 1 0 341.412 -1.612 20 0 EAADRO CCCCN1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131822933 787094644 /nfs/dbraw/zinc/09/46/44/787094644.db2.gz YGYPYPYYRNFNHH-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CCCCN1CCOC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131822934 787095973 /nfs/dbraw/zinc/09/59/73/787095973.db2.gz YGYPYPYYRNFNHH-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO CCCCN1CCOC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131822935 787094334 /nfs/dbraw/zinc/09/43/34/787094334.db2.gz YGYPYPYYRNFNHH-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CCCCN1CCOC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131822936 787095887 /nfs/dbraw/zinc/09/58/87/787095887.db2.gz YGYPYPYYRNFNHH-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F)N1CCC1 ZINC001131824567 787094622 /nfs/dbraw/zinc/09/46/22/787094622.db2.gz CQWXNTDISLRDGR-LLVKDONJSA-N 1 0 334.367 -1.110 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COCCN1CC(F)F)N1CCC1 ZINC001131824569 787094076 /nfs/dbraw/zinc/09/40/76/787094076.db2.gz CQWXNTDISLRDGR-NSHDSACASA-N 1 0 334.367 -1.110 20 0 EAADRO O=C(NCC[NH2+]CCn1cncn1)[C@H]1COCCN1CC(F)F ZINC001131824587 787093898 /nfs/dbraw/zinc/09/38/98/787093898.db2.gz DLJWMHWXWMIFNA-LLVKDONJSA-N 1 0 332.355 -1.050 20 0 EAADRO O=C(NCC[NH2+]CCn1cncn1)[C@@H]1COCCN1CC(F)F ZINC001131824589 787095690 /nfs/dbraw/zinc/09/56/90/787095690.db2.gz DLJWMHWXWMIFNA-NSHDSACASA-N 1 0 332.355 -1.050 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001131824914 787096026 /nfs/dbraw/zinc/09/60/26/787096026.db2.gz JCIREODYEPNYFV-LLVKDONJSA-N 1 0 332.355 -1.013 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001131824915 787095872 /nfs/dbraw/zinc/09/58/72/787095872.db2.gz JCIREODYEPNYFV-NSHDSACASA-N 1 0 332.355 -1.013 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1COCCN1CC(F)F ZINC001131825038 787095735 /nfs/dbraw/zinc/09/57/35/787095735.db2.gz KHONUQOEZSQZKY-NXEZZACHSA-N 1 0 348.350 -1.537 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1COCCN1CC(F)F ZINC001131825043 787095698 /nfs/dbraw/zinc/09/56/98/787095698.db2.gz KHONUQOEZSQZKY-UWVGGRQHSA-N 1 0 348.350 -1.537 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1COCCN1CC(F)F ZINC001131825045 787095454 /nfs/dbraw/zinc/09/54/54/787095454.db2.gz KHONUQOEZSQZKY-VHSXEESVSA-N 1 0 348.350 -1.537 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1COCCN1CC(F)F ZINC001131825047 787095772 /nfs/dbraw/zinc/09/57/72/787095772.db2.gz KHONUQOEZSQZKY-ZJUUUORDSA-N 1 0 348.350 -1.537 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@H]1COCCN1CC(F)F ZINC001131825282 787094604 /nfs/dbraw/zinc/09/46/04/787094604.db2.gz NEGHASWINFGIOE-GHMZBOCLSA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1COCCN1CC(F)F ZINC001131825283 787095678 /nfs/dbraw/zinc/09/56/78/787095678.db2.gz NEGHASWINFGIOE-MNOVXSKESA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1COCCN1CC(F)F ZINC001131825284 787095250 /nfs/dbraw/zinc/09/52/50/787095250.db2.gz NEGHASWINFGIOE-QWRGUYRKSA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@H]1COCCN1CC(F)F ZINC001131825285 787094897 /nfs/dbraw/zinc/09/48/97/787094897.db2.gz NEGHASWINFGIOE-WDEREUQCSA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(NCC[NH2+]CCOCCO)[C@H]1COCCN1CC(F)F ZINC001131825286 787095916 /nfs/dbraw/zinc/09/59/16/787095916.db2.gz NGXIGCINFDVETQ-LLVKDONJSA-N 1 0 325.356 -1.333 20 0 EAADRO O=C(NCC[NH2+]CCOCCO)[C@@H]1COCCN1CC(F)F ZINC001131825287 787094518 /nfs/dbraw/zinc/09/45/18/787094518.db2.gz NGXIGCINFDVETQ-NSHDSACASA-N 1 0 325.356 -1.333 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001131825462 787096574 /nfs/dbraw/zinc/09/65/74/787096574.db2.gz PRFHTGGTQCDXNO-GHMZBOCLSA-N 1 0 325.356 -1.335 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001131825463 787096748 /nfs/dbraw/zinc/09/67/48/787096748.db2.gz PRFHTGGTQCDXNO-MNOVXSKESA-N 1 0 325.356 -1.335 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001131825464 787096632 /nfs/dbraw/zinc/09/66/32/787096632.db2.gz PRFHTGGTQCDXNO-QWRGUYRKSA-N 1 0 325.356 -1.335 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001131825465 787098045 /nfs/dbraw/zinc/09/80/45/787098045.db2.gz PRFHTGGTQCDXNO-WDEREUQCSA-N 1 0 325.356 -1.335 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001131825683 787096753 /nfs/dbraw/zinc/09/67/53/787096753.db2.gz SZYKZCDDKWCIGC-JTQLQIEISA-N 1 0 343.396 -1.297 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001131825684 787097013 /nfs/dbraw/zinc/09/70/13/787097013.db2.gz SZYKZCDDKWCIGC-SNVBAGLBSA-N 1 0 343.396 -1.297 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F)NC1CC1 ZINC001131825685 787096887 /nfs/dbraw/zinc/09/68/87/787096887.db2.gz TTWKKVCUYKIXJO-LLVKDONJSA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COCCN1CC(F)F)NC1CC1 ZINC001131825686 787096790 /nfs/dbraw/zinc/09/67/90/787096790.db2.gz TTWKKVCUYKIXJO-NSHDSACASA-N 1 0 334.367 -1.063 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001131825707 787097609 /nfs/dbraw/zinc/09/76/09/787097609.db2.gz ULZUXIJMCTXOQL-MRVPVSSYSA-N 1 0 337.327 -2.147 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001131825708 787097545 /nfs/dbraw/zinc/09/75/45/787097545.db2.gz ULZUXIJMCTXOQL-QMMMGPOBSA-N 1 0 337.327 -2.147 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1COCCN1CC(F)F ZINC001131825841 787097735 /nfs/dbraw/zinc/09/77/35/787097735.db2.gz VEEPQRBDRMBLCL-LLVKDONJSA-N 1 0 349.382 -1.317 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1COCCN1CC(F)F ZINC001131825842 787097810 /nfs/dbraw/zinc/09/78/10/787097810.db2.gz VEEPQRBDRMBLCL-NSHDSACASA-N 1 0 349.382 -1.317 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2COCCN2CC(F)F)C1=O ZINC001131825859 787096684 /nfs/dbraw/zinc/09/66/84/787096684.db2.gz VJFUCRCHPPLTDD-GHMZBOCLSA-N 1 0 334.367 -1.111 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2COCCN2CC(F)F)C1=O ZINC001131825860 787098075 /nfs/dbraw/zinc/09/80/75/787098075.db2.gz VJFUCRCHPPLTDD-MNOVXSKESA-N 1 0 334.367 -1.111 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2COCCN2CC(F)F)C1=O ZINC001131825861 787097379 /nfs/dbraw/zinc/09/73/79/787097379.db2.gz VJFUCRCHPPLTDD-QWRGUYRKSA-N 1 0 334.367 -1.111 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2COCCN2CC(F)F)C1=O ZINC001131825862 787097137 /nfs/dbraw/zinc/09/71/37/787097137.db2.gz VJFUCRCHPPLTDD-WDEREUQCSA-N 1 0 334.367 -1.111 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001131828063 787097303 /nfs/dbraw/zinc/09/73/03/787097303.db2.gz BBWDRDAXHXSJIQ-UHFFFAOYSA-N 1 0 335.430 -2.242 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnc(OC)nc1C ZINC001131828065 787097979 /nfs/dbraw/zinc/09/79/79/787097979.db2.gz BHFFKIQRVYLAHE-UHFFFAOYSA-N 1 0 346.413 -1.947 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccnc(OC)c1 ZINC001131828135 787099285 /nfs/dbraw/zinc/09/92/85/787099285.db2.gz FCTYAMHNBQASLH-UHFFFAOYSA-N 1 0 331.398 -1.650 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)nc1 ZINC001131828139 787098541 /nfs/dbraw/zinc/09/85/41/787098541.db2.gz FGIMRDCRICJQBD-UHFFFAOYSA-N 1 0 331.398 -1.650 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(OC)ccn1 ZINC001131828165 787099058 /nfs/dbraw/zinc/09/90/58/787099058.db2.gz GTOGBDASOVGQIG-UHFFFAOYSA-N 1 0 331.398 -1.650 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccncc1Cl ZINC001131828212 787099610 /nfs/dbraw/zinc/09/96/10/787099610.db2.gz HTYGJUNIAAIDBS-UHFFFAOYSA-N 1 0 335.817 -1.005 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc2c(c1)COC2 ZINC001131828221 787099581 /nfs/dbraw/zinc/09/95/81/787099581.db2.gz IAJJJWLZIQLOTL-UHFFFAOYSA-N 1 0 342.421 -1.024 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001131828222 787100002 /nfs/dbraw/zinc/10/00/02/787100002.db2.gz IBXCRHQIBDIHBX-UHFFFAOYSA-N 1 0 335.430 -2.338 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001131828244 787099464 /nfs/dbraw/zinc/09/94/64/787099464.db2.gz INKXUNHNCKMUOJ-UHFFFAOYSA-N 1 0 348.385 -2.319 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)nn1 ZINC001131828262 787099670 /nfs/dbraw/zinc/09/96/70/787099670.db2.gz JGEGMDQKHISDKJ-UHFFFAOYSA-N 1 0 332.386 -2.255 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cccc(Cl)n1 ZINC001131828286 787100076 /nfs/dbraw/zinc/10/00/76/787100076.db2.gz JVUFULHTCNVCEM-UHFFFAOYSA-N 1 0 335.817 -1.005 20 0 EAADRO CCc1noc(C)c1C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131828316 787099316 /nfs/dbraw/zinc/09/93/16/787099316.db2.gz KYJILOLSHGFCFJ-UHFFFAOYSA-N 1 0 333.414 -1.195 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(Cl)nc1 ZINC001131828348 787099305 /nfs/dbraw/zinc/09/93/05/787099305.db2.gz LZDMZHQLKFHHAQ-UHFFFAOYSA-N 1 0 335.817 -1.005 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)cc1 ZINC001131828365 787099001 /nfs/dbraw/zinc/09/90/01/787099001.db2.gz MWLKCYPALIQBQE-UHFFFAOYSA-N 1 0 330.410 -1.045 20 0 EAADRO CCOc1cccc(C[NH2+]CCNC(=O)CNS(=O)(=O)NC)n1 ZINC001131828400 787098524 /nfs/dbraw/zinc/09/85/24/787098524.db2.gz OZZRTEKQCDDKTO-UHFFFAOYSA-N 1 0 345.425 -1.260 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccnc(Cl)c1 ZINC001131828401 787099639 /nfs/dbraw/zinc/09/96/39/787099639.db2.gz PBFYWRVRDYMBBW-UHFFFAOYSA-N 1 0 335.817 -1.005 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cccc(OC)n1 ZINC001131828441 787098431 /nfs/dbraw/zinc/09/84/31/787098431.db2.gz QZAIBVVKEBEDEM-UHFFFAOYSA-N 1 0 331.398 -1.650 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001131828463 787099117 /nfs/dbraw/zinc/09/91/17/787099117.db2.gz ROIDTTCPMJGZPR-UHFFFAOYSA-N 1 0 343.409 -1.955 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cccnc1OC ZINC001131828484 787098622 /nfs/dbraw/zinc/09/86/22/787098622.db2.gz SGZDSBRNYBEKDM-UHFFFAOYSA-N 1 0 331.398 -1.650 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131828525 787098374 /nfs/dbraw/zinc/09/83/74/787098374.db2.gz UJCAJWCPINXLDI-UHFFFAOYSA-N 1 0 339.418 -3.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NC1CCCCC1 ZINC001131828582 787099783 /nfs/dbraw/zinc/09/97/83/787099783.db2.gz VXRJXCGQIMRMGV-UHFFFAOYSA-N 1 0 349.457 -1.805 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(C)nc1C ZINC001131828585 787099851 /nfs/dbraw/zinc/09/98/51/787099851.db2.gz VYWXTYLQSJRBFS-UHFFFAOYSA-N 1 0 329.426 -1.042 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001131828609 787099489 /nfs/dbraw/zinc/09/94/89/787099489.db2.gz WSFNPSNLEBNNCP-UHFFFAOYSA-N 1 0 335.430 -2.386 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1ccccc1 ZINC001131828635 787099083 /nfs/dbraw/zinc/09/90/83/787099083.db2.gz XZMUWBHASUGZON-UHFFFAOYSA-N 1 0 343.409 -1.615 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC(C)CC1 ZINC001131828646 787099245 /nfs/dbraw/zinc/09/92/45/787099245.db2.gz YMWPCRNGHRBNQW-UHFFFAOYSA-N 1 0 349.457 -1.996 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001131828651 787099232 /nfs/dbraw/zinc/09/92/32/787099232.db2.gz YTHLVQFSLXTBPB-UHFFFAOYSA-N 1 0 331.398 -2.355 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001131828652 787099722 /nfs/dbraw/zinc/09/97/22/787099722.db2.gz YTZSIDJAZKBWQS-UHFFFAOYSA-N 1 0 349.335 -2.576 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001131828655 787098601 /nfs/dbraw/zinc/09/86/01/787098601.db2.gz YYAAEDYMOHXACK-LLVKDONJSA-N 1 0 349.457 -1.853 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001131828656 787098641 /nfs/dbraw/zinc/09/86/41/787098641.db2.gz YYAAEDYMOHXACK-NSHDSACASA-N 1 0 349.457 -1.853 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1 ZINC001131828663 787100096 /nfs/dbraw/zinc/10/00/96/787100096.db2.gz ZFKNMGDEETZUGA-UHFFFAOYSA-N 1 0 344.441 -1.593 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001131831392 787098563 /nfs/dbraw/zinc/09/85/63/787098563.db2.gz AKIPASWOUCOJBD-UHFFFAOYSA-N 1 0 335.430 -2.195 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001131831398 787099436 /nfs/dbraw/zinc/09/94/36/787099436.db2.gz ANVINPDUSQTLRP-JTQLQIEISA-N 1 0 342.418 -3.230 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001131831399 787099210 /nfs/dbraw/zinc/09/92/10/787099210.db2.gz ANVINPDUSQTLRP-SNVBAGLBSA-N 1 0 342.418 -3.230 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001131831402 787098830 /nfs/dbraw/zinc/09/88/30/787098830.db2.gz APVXZONIGAQETF-LLVKDONJSA-N 1 0 349.457 -1.996 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001131831403 787099035 /nfs/dbraw/zinc/09/90/35/787099035.db2.gz APVXZONIGAQETF-NSHDSACASA-N 1 0 349.457 -1.996 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001131831415 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CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001131831454 787099744 /nfs/dbraw/zinc/09/97/44/787099744.db2.gz DEHQGZIKXATJRO-LBPRGKRZSA-N 1 0 336.458 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001131831483 787099101 /nfs/dbraw/zinc/09/91/01/787099101.db2.gz DZLHYLFQGUVFHH-MRVPVSSYSA-N 1 0 330.357 -1.830 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001131831484 787099651 /nfs/dbraw/zinc/09/96/51/787099651.db2.gz DZLHYLFQGUVFHH-QMMMGPOBSA-N 1 0 330.357 -1.830 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001131831487 787098497 /nfs/dbraw/zinc/09/84/97/787098497.db2.gz FEJZOUQBMAYWBK-UHFFFAOYSA-N 1 0 337.446 -2.092 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCc1scnc1C ZINC001131831503 787099219 /nfs/dbraw/zinc/09/92/19/787099219.db2.gz GJUFIOUWIIKGIY-UHFFFAOYSA-N 1 0 335.455 -1.246 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001131831514 787099971 /nfs/dbraw/zinc/09/99/71/787099971.db2.gz GOMHQPQWRHNMIA-UHFFFAOYSA-N 1 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RMSAFGSCXWOCLY-UHFFFAOYSA-N 1 0 339.418 -3.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001131831810 787101356 /nfs/dbraw/zinc/10/13/56/787101356.db2.gz RONKQUNFGYMUMD-UHFFFAOYSA-N 1 0 345.385 -2.825 20 0 EAADRO CCn1cc(CC[NH2+]CCNC(=O)CNS(=O)(=O)NC)cn1 ZINC001131831862 787101773 /nfs/dbraw/zinc/10/17/73/787101773.db2.gz SVNUDLQQNCWZLI-UHFFFAOYSA-N 1 0 332.430 -1.795 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001131831872 787101806 /nfs/dbraw/zinc/10/18/06/787101806.db2.gz TWKDUHWHAZCJPM-UHFFFAOYSA-N 1 0 345.447 -3.363 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001131831874 787100798 /nfs/dbraw/zinc/10/07/98/787100798.db2.gz TWPTYIRVNLFPBP-UHFFFAOYSA-N 1 0 330.410 -1.562 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131831888 787100862 /nfs/dbraw/zinc/10/08/62/787100862.db2.gz UBEKVPKRSLSACS-UHFFFAOYSA-N 1 0 337.446 -1.949 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001131831918 787101214 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CNS(=O)(=O)NCC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001131832083 787101142 /nfs/dbraw/zinc/10/11/42/787101142.db2.gz XPJSUCZLLZCNMT-UHFFFAOYSA-N 1 0 333.418 -2.345 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cccc(OC)c1 ZINC001131832094 787101732 /nfs/dbraw/zinc/10/17/32/787101732.db2.gz XUULNTXCTJYJLM-UHFFFAOYSA-N 1 0 330.410 -1.045 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001131832095 787100995 /nfs/dbraw/zinc/10/09/95/787100995.db2.gz XVEYJIJDPCCWLQ-JTQLQIEISA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001131832097 787100679 /nfs/dbraw/zinc/10/06/79/787100679.db2.gz XVEYJIJDPCCWLQ-SNVBAGLBSA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131832130 787101563 /nfs/dbraw/zinc/10/15/63/787101563.db2.gz YCBSYAZWCLRSSE-UHFFFAOYSA-N 1 0 336.374 -3.702 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cncc(OC)n1 ZINC001131832146 787101837 /nfs/dbraw/zinc/10/18/37/787101837.db2.gz 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ZINC001131834538 787101096 /nfs/dbraw/zinc/10/10/96/787101096.db2.gz BDYRBSHTOFTBLL-QMMMGPOBSA-N 1 0 349.351 -1.766 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+]CCN3CCNC3=O)cc2c(=O)[nH]1 ZINC001131834562 787101013 /nfs/dbraw/zinc/10/10/13/787101013.db2.gz COAGVFKPASUVBM-UHFFFAOYSA-N 1 0 347.379 -1.324 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+]CC(=O)N3CCC3)cc2c(=O)[nH]1 ZINC001131834590 787101466 /nfs/dbraw/zinc/10/14/66/787101466.db2.gz DVWMBCROFGGEFM-UHFFFAOYSA-N 1 0 332.364 -1.117 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cc2c(=O)[nH]1 ZINC001131834591 787101683 /nfs/dbraw/zinc/10/16/83/787101683.db2.gz DWESFKVSLRZVJO-UHFFFAOYSA-N 1 0 335.324 -2.155 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+][C@H]3CCN(C)C3=O)cc2c(=O)[nH]1 ZINC001131834961 787101514 /nfs/dbraw/zinc/10/15/14/787101514.db2.gz KFNMPDDMGDALIS-JTQLQIEISA-N 1 0 332.364 -1.119 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+][C@@H]3CCN(C)C3=O)cc2c(=O)[nH]1 ZINC001131834963 787101339 /nfs/dbraw/zinc/10/13/39/787101339.db2.gz KFNMPDDMGDALIS-SNVBAGLBSA-N 1 0 332.364 -1.119 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+]CCn3cncn3)cc2c(=O)[nH]1 ZINC001131835212 787101430 /nfs/dbraw/zinc/10/14/30/787101430.db2.gz OYWAURFPOVTRKH-UHFFFAOYSA-N 1 0 330.352 -1.058 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+]CC(=O)NC3CC3)cc2c(=O)[nH]1 ZINC001131835230 787101018 /nfs/dbraw/zinc/10/10/18/787101018.db2.gz PPZFBJSBGWKCIQ-UHFFFAOYSA-N 1 0 332.364 -1.071 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001131835419 787103503 /nfs/dbraw/zinc/10/35/03/787103503.db2.gz UVHWXPZXAYUPKO-UHFFFAOYSA-N 1 0 349.351 -1.894 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+][C@@H]3CCC(=O)NC3=O)cc2c(=O)[nH]1 ZINC001131835445 787103387 /nfs/dbraw/zinc/10/33/87/787103387.db2.gz VHQRAIWAEOWPFR-SECBINFHSA-N 1 0 346.347 -1.544 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+][C@H]3CCC(=O)NC3=O)cc2c(=O)[nH]1 ZINC001131835447 787103206 /nfs/dbraw/zinc/10/32/06/787103206.db2.gz VHQRAIWAEOWPFR-VIFPVBQESA-N 1 0 346.347 -1.544 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+]CCS(C)(=O)=O)cc2c(=O)[nH]1 ZINC001131835569 787103348 /nfs/dbraw/zinc/10/33/48/787103348.db2.gz XPLAUSRIEKLYFA-UHFFFAOYSA-N 1 0 341.393 -1.305 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+][C@H]3CCCNC3=O)cc2c(=O)[nH]1 ZINC001131835595 787103537 /nfs/dbraw/zinc/10/35/37/787103537.db2.gz YBMUFBZLBOHQMV-JTQLQIEISA-N 1 0 332.364 -1.071 20 0 EAADRO Cc1cn2nc(C(=O)NCC[NH2+][C@@H]3CCCNC3=O)cc2c(=O)[nH]1 ZINC001131835596 787103150 /nfs/dbraw/zinc/10/31/50/787103150.db2.gz YBMUFBZLBOHQMV-SNVBAGLBSA-N 1 0 332.364 -1.071 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001131836791 787103601 /nfs/dbraw/zinc/10/36/01/787103601.db2.gz AVHZJQRDXXCZAS-UHFFFAOYSA-N 1 0 335.430 -2.242 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001131836810 787102564 /nfs/dbraw/zinc/10/25/64/787102564.db2.gz BKVPIWSLXIUXPA-UHFFFAOYSA-N 1 0 347.445 -1.792 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cncc(-n2ccnn2)c1 ZINC001131836811 787102163 /nfs/dbraw/zinc/10/21/63/787102163.db2.gz BOWYAERKLIHJNX-GFCCVEGCSA-N 1 0 343.347 -1.213 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cncc(-n2ccnn2)c1 ZINC001131836812 787103610 /nfs/dbraw/zinc/10/36/10/787103610.db2.gz BOWYAERKLIHJNX-LBPRGKRZSA-N 1 0 343.347 -1.213 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836835 787102311 /nfs/dbraw/zinc/10/23/11/787102311.db2.gz CPLFZVNFPDDASH-JTQLQIEISA-N 1 0 337.446 -1.997 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836836 787102414 /nfs/dbraw/zinc/10/24/14/787102414.db2.gz CPLFZVNFPDDASH-SNVBAGLBSA-N 1 0 337.446 -1.997 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001131836837 787102748 /nfs/dbraw/zinc/10/27/48/787102748.db2.gz CQBCKGOHOVMOOU-LLVKDONJSA-N 1 0 349.457 -1.853 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001131836838 787102684 /nfs/dbraw/zinc/10/26/84/787102684.db2.gz CQBCKGOHOVMOOU-NSHDSACASA-N 1 0 349.457 -1.853 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001131836847 787103247 /nfs/dbraw/zinc/10/32/47/787103247.db2.gz CZBUJLYIYYBWRX-SECBINFHSA-N 1 0 335.430 -2.339 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001131836848 787103018 /nfs/dbraw/zinc/10/30/18/787103018.db2.gz CZBUJLYIYYBWRX-VIFPVBQESA-N 1 0 335.430 -2.339 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncc(-n2ccnn2)c1 ZINC001131836855 787102270 /nfs/dbraw/zinc/10/22/70/787102270.db2.gz DFXCHGFLKASWJH-UHFFFAOYSA-N 1 0 346.351 -1.563 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836869 787102964 /nfs/dbraw/zinc/10/29/64/787102964.db2.gz DTVYPQIPIABMBX-NXEZZACHSA-N 1 0 337.446 -1.951 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836870 787102635 /nfs/dbraw/zinc/10/26/35/787102635.db2.gz DTVYPQIPIABMBX-UWVGGRQHSA-N 1 0 337.446 -1.951 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836871 787103375 /nfs/dbraw/zinc/10/33/75/787103375.db2.gz DTVYPQIPIABMBX-VHSXEESVSA-N 1 0 337.446 -1.951 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836872 787103039 /nfs/dbraw/zinc/10/30/39/787103039.db2.gz DTVYPQIPIABMBX-ZJUUUORDSA-N 1 0 337.446 -1.951 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001131836884 787102348 /nfs/dbraw/zinc/10/23/48/787102348.db2.gz FHBUVQGNUMFISN-UHFFFAOYSA-N 1 0 334.358 -2.627 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cncc(-n2ccnn2)c1)C(=O)NC(N)=O ZINC001131836885 787102521 /nfs/dbraw/zinc/10/25/21/787102521.db2.gz FIJSDHLXGRXADF-SECBINFHSA-N 1 0 346.351 -1.435 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cncc(-n2ccnn2)c1)C(=O)NC(N)=O ZINC001131836886 787103325 /nfs/dbraw/zinc/10/33/25/787103325.db2.gz FIJSDHLXGRXADF-VIFPVBQESA-N 1 0 346.351 -1.435 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCOc1ccccc1 ZINC001131836902 787102251 /nfs/dbraw/zinc/10/22/51/787102251.db2.gz GFBUSRXETBZRQT-UHFFFAOYSA-N 1 0 330.410 -1.175 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001131836909 787102662 /nfs/dbraw/zinc/10/26/62/787102662.db2.gz GLEWVPAYULZGNI-JTQLQIEISA-N 1 0 349.457 -1.807 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001131836910 787103337 /nfs/dbraw/zinc/10/33/37/787103337.db2.gz GLEWVPAYULZGNI-SNVBAGLBSA-N 1 0 349.457 -1.807 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCOc1cccc(F)c1 ZINC001131836929 787103434 /nfs/dbraw/zinc/10/34/34/787103434.db2.gz HNYZBHZNWWEITH-UHFFFAOYSA-N 1 0 348.400 -1.036 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836930 787102455 /nfs/dbraw/zinc/10/24/55/787102455.db2.gz HOHRZMPXPLALTF-UHFFFAOYSA-N 1 0 344.459 -2.429 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001131836939 787102729 /nfs/dbraw/zinc/10/27/29/787102729.db2.gz IDLCKVKDBQJPKP-GFCCVEGCSA-N 1 0 348.400 -1.381 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001131836940 787102847 /nfs/dbraw/zinc/10/28/47/787102847.db2.gz IDLCKVKDBQJPKP-LBPRGKRZSA-N 1 0 348.400 -1.381 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)NC)C1CC1 ZINC001131836942 787103120 /nfs/dbraw/zinc/10/31/20/787103120.db2.gz IEPOCTPJPKXQLS-UHFFFAOYSA-N 1 0 335.430 -2.243 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836946 787102591 /nfs/dbraw/zinc/10/25/91/787102591.db2.gz IIEMNGURXFOZME-SSDOTTSWSA-N 1 0 338.390 -3.410 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131836947 787103575 /nfs/dbraw/zinc/10/35/75/787103575.db2.gz IIEMNGURXFOZME-ZETCQYMHSA-N 1 0 338.390 -3.410 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(=O)c(OC)co1 ZINC001131836952 787102946 /nfs/dbraw/zinc/10/29/46/787102946.db2.gz IMBZAKSRONCPTM-UHFFFAOYSA-N 1 0 348.381 -2.092 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCOc1ccc(F)cc1 ZINC001131836972 787102541 /nfs/dbraw/zinc/10/25/41/787102541.db2.gz JGQYRKQDRXNERA-UHFFFAOYSA-N 1 0 348.400 -1.036 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837001 787102204 /nfs/dbraw/zinc/10/22/04/787102204.db2.gz KKDGQPGYAGTUCT-UHFFFAOYSA-N 1 0 345.447 -3.315 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001131837003 787103112 /nfs/dbraw/zinc/10/31/12/787103112.db2.gz KONWFFMSMWAWMB-UHFFFAOYSA-N 1 0 335.386 -3.105 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001131837005 787102677 /nfs/dbraw/zinc/10/26/77/787102677.db2.gz KQPDFDUYVTYPDU-LLVKDONJSA-N 1 0 338.430 -2.058 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001131837006 787103665 /nfs/dbraw/zinc/10/36/65/787103665.db2.gz KQPDFDUYVTYPDU-NSHDSACASA-N 1 0 338.430 -2.058 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001131837024 787102619 /nfs/dbraw/zinc/10/26/19/787102619.db2.gz LSBAGWJGNHPJHR-SECBINFHSA-N 1 0 337.446 -1.951 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001131837025 787102737 /nfs/dbraw/zinc/10/27/37/787102737.db2.gz LSBAGWJGNHPJHR-VIFPVBQESA-N 1 0 337.446 -1.951 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001131837058 787102383 /nfs/dbraw/zinc/10/23/83/787102383.db2.gz MXIRCIABIBGYEI-JTQLQIEISA-N 1 0 337.446 -1.999 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001131837059 787103563 /nfs/dbraw/zinc/10/35/63/787103563.db2.gz MXIRCIABIBGYEI-SNVBAGLBSA-N 1 0 337.446 -1.999 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F ZINC001131837084 787103133 /nfs/dbraw/zinc/10/31/33/787103133.db2.gz OHKDIHYQKYHFDB-GFCCVEGCSA-N 1 0 348.400 -1.381 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](O)c1ccccc1F ZINC001131837085 787103550 /nfs/dbraw/zinc/10/35/50/787103550.db2.gz OHKDIHYQKYHFDB-LBPRGKRZSA-N 1 0 348.400 -1.381 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001131837100 787103179 /nfs/dbraw/zinc/10/31/79/787103179.db2.gz OYHMSXFWKCQUKD-LLVKDONJSA-N 1 0 338.430 -2.058 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001131837101 787102916 /nfs/dbraw/zinc/10/29/16/787102916.db2.gz OYHMSXFWKCQUKD-NSHDSACASA-N 1 0 338.430 -2.058 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncc(-n2ccnn2)c1 ZINC001131837105 787103585 /nfs/dbraw/zinc/10/35/85/787103585.db2.gz PDTUZJYPNUUFMF-UHFFFAOYSA-N 1 0 332.324 -1.823 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001131837109 787102941 /nfs/dbraw/zinc/10/29/41/787102941.db2.gz POOJBFKFSRWZSB-JTQLQIEISA-N 1 0 334.402 -2.996 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001131837110 787103306 /nfs/dbraw/zinc/10/33/06/787103306.db2.gz POOJBFKFSRWZSB-SNVBAGLBSA-N 1 0 334.402 -2.996 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001131837165 787102465 /nfs/dbraw/zinc/10/24/65/787102465.db2.gz SABSYJYXLGLZQD-JTQLQIEISA-N 1 0 335.430 -2.245 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001131837166 787102926 /nfs/dbraw/zinc/10/29/26/787102926.db2.gz SABSYJYXLGLZQD-SNVBAGLBSA-N 1 0 335.430 -2.245 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837200 787103652 /nfs/dbraw/zinc/10/36/52/787103652.db2.gz UVCQKXXLRNUITF-JTQLQIEISA-N 1 0 337.446 -1.949 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837201 787103000 /nfs/dbraw/zinc/10/30/00/787103000.db2.gz UVCQKXXLRNUITF-SNVBAGLBSA-N 1 0 337.446 -1.949 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001131837233 787102434 /nfs/dbraw/zinc/10/24/34/787102434.db2.gz WNNVKZDXFSGOQW-JTQLQIEISA-N 1 0 337.446 -2.093 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001131837234 787102605 /nfs/dbraw/zinc/10/26/05/787102605.db2.gz WNNVKZDXFSGOQW-SNVBAGLBSA-N 1 0 337.446 -2.093 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCc1ccc(OC)cc1 ZINC001131837235 787103164 /nfs/dbraw/zinc/10/31/64/787103164.db2.gz WRKYFRPWUZGPIK-UHFFFAOYSA-N 1 0 344.437 -1.003 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CCOc1ccccc1F ZINC001131837246 787102875 /nfs/dbraw/zinc/10/28/75/787102875.db2.gz XFUIKJQISYVKGI-UHFFFAOYSA-N 1 0 348.400 -1.036 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837255 787103193 /nfs/dbraw/zinc/10/31/93/787103193.db2.gz 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EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131869585 787104732 /nfs/dbraw/zinc/10/47/32/787104732.db2.gz HJOKMNJRUPWDCR-GFCCVEGCSA-N 1 0 349.453 -1.188 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131869586 787104922 /nfs/dbraw/zinc/10/49/22/787104922.db2.gz HJOKMNJRUPWDCR-LBPRGKRZSA-N 1 0 349.453 -1.188 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131873243 787105037 /nfs/dbraw/zinc/10/50/37/787105037.db2.gz AJVDYSHCFZFTGL-JTQLQIEISA-N 1 0 346.409 -1.789 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131873244 787104515 /nfs/dbraw/zinc/10/45/15/787104515.db2.gz AJVDYSHCFZFTGL-SNVBAGLBSA-N 1 0 346.409 -1.789 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131873261 787104745 /nfs/dbraw/zinc/10/47/45/787104745.db2.gz ATJWLWADRFFWAI-NXEZZACHSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131873262 787105162 /nfs/dbraw/zinc/10/51/62/787105162.db2.gz ATJWLWADRFFWAI-UWVGGRQHSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131873263 787105243 /nfs/dbraw/zinc/10/52/43/787105243.db2.gz ATJWLWADRFFWAI-VHSXEESVSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131873264 787104545 /nfs/dbraw/zinc/10/45/45/787104545.db2.gz ATJWLWADRFFWAI-ZJUUUORDSA-N 1 0 331.394 -1.535 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131873293 787104583 /nfs/dbraw/zinc/10/45/83/787104583.db2.gz BNSLJYZOCOBVCJ-JTQLQIEISA-N 1 0 348.425 -1.495 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131873294 787104530 /nfs/dbraw/zinc/10/45/30/787104530.db2.gz BNSLJYZOCOBVCJ-SNVBAGLBSA-N 1 0 348.425 -1.495 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+]CCN1CCNC1=O ZINC001131873544 787105353 /nfs/dbraw/zinc/10/53/53/787105353.db2.gz DWXVTIZXPDBXNT-LLVKDONJSA-N 1 0 332.426 -1.315 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+]CCN1CCNC1=O ZINC001131873546 787104567 /nfs/dbraw/zinc/10/45/67/787104567.db2.gz DWXVTIZXPDBXNT-NSHDSACASA-N 1 0 332.426 -1.315 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874024 787104433 /nfs/dbraw/zinc/10/44/33/787104433.db2.gz MRZVMMOERJTWMA-CYBMUJFWSA-N 1 0 349.453 -1.188 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874025 787105239 /nfs/dbraw/zinc/10/52/39/787105239.db2.gz MRZVMMOERJTWMA-ZDUSSCGKSA-N 1 0 349.453 -1.188 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001131874046 787104996 /nfs/dbraw/zinc/10/49/96/787104996.db2.gz NFOKEGSXUGCXOS-CHWSQXEVSA-N 1 0 344.437 -1.083 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001131874047 787104627 /nfs/dbraw/zinc/10/46/27/787104627.db2.gz NFOKEGSXUGCXOS-OLZOCXBDSA-N 1 0 344.437 -1.083 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001131874048 787104483 /nfs/dbraw/zinc/10/44/83/787104483.db2.gz NFOKEGSXUGCXOS-QWHCGFSZSA-N 1 0 344.437 -1.083 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001131874049 787105014 /nfs/dbraw/zinc/10/50/14/787105014.db2.gz NFOKEGSXUGCXOS-STQMWFEESA-N 1 0 344.437 -1.083 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)NC(N)=O ZINC001131874126 787105058 /nfs/dbraw/zinc/10/50/58/787105058.db2.gz PFBBNRIWSUZRJF-BDAKNGLRSA-N 1 0 334.398 -1.757 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O)C(=O)NC(N)=O ZINC001131874127 787105176 /nfs/dbraw/zinc/10/51/76/787105176.db2.gz PFBBNRIWSUZRJF-DTWKUNHWSA-N 1 0 334.398 -1.757 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)NC(N)=O ZINC001131874128 787105069 /nfs/dbraw/zinc/10/50/69/787105069.db2.gz PFBBNRIWSUZRJF-IUCAKERBSA-N 1 0 334.398 -1.757 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O)C(=O)NC(N)=O ZINC001131874129 787104289 /nfs/dbraw/zinc/10/42/89/787104289.db2.gz PFBBNRIWSUZRJF-RKDXNWHRSA-N 1 0 334.398 -1.757 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874200 787104913 /nfs/dbraw/zinc/10/49/13/787104913.db2.gz RBCMWSDKWCDOFJ-JTQLQIEISA-N 1 0 326.440 -1.296 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874201 787104598 /nfs/dbraw/zinc/10/45/98/787104598.db2.gz RBCMWSDKWCDOFJ-SNVBAGLBSA-N 1 0 326.440 -1.296 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874246 787105081 /nfs/dbraw/zinc/10/50/81/787105081.db2.gz SKNPIDWKADGDLJ-NXEZZACHSA-N 1 0 348.425 -1.496 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874247 787104987 /nfs/dbraw/zinc/10/49/87/787104987.db2.gz SKNPIDWKADGDLJ-UWVGGRQHSA-N 1 0 348.425 -1.496 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874248 787104692 /nfs/dbraw/zinc/10/46/92/787104692.db2.gz SKNPIDWKADGDLJ-VHSXEESVSA-N 1 0 348.425 -1.496 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874249 787104778 /nfs/dbraw/zinc/10/47/78/787104778.db2.gz SKNPIDWKADGDLJ-ZJUUUORDSA-N 1 0 348.425 -1.496 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874320 787104018 /nfs/dbraw/zinc/10/40/18/787104018.db2.gz UZWFHQAJQQFKLV-JTQLQIEISA-N 1 0 341.455 -1.791 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874321 787105308 /nfs/dbraw/zinc/10/53/08/787105308.db2.gz UZWFHQAJQQFKLV-SNVBAGLBSA-N 1 0 341.455 -1.791 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131874330 787104835 /nfs/dbraw/zinc/10/48/35/787104835.db2.gz VFMKDOASFIIENB-AWEZNQCLSA-N 1 0 341.412 -1.034 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131874331 787105019 /nfs/dbraw/zinc/10/50/19/787105019.db2.gz VFMKDOASFIIENB-CQSZACIVSA-N 1 0 341.412 -1.034 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001131874332 787105199 /nfs/dbraw/zinc/10/51/99/787105199.db2.gz VGLGXAUPTPOKDA-GFCCVEGCSA-N 1 0 347.437 -1.482 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001131874333 787104148 /nfs/dbraw/zinc/10/41/48/787104148.db2.gz VGLGXAUPTPOKDA-LBPRGKRZSA-N 1 0 347.437 -1.482 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874422 787105030 /nfs/dbraw/zinc/10/50/30/787105030.db2.gz XRSYHQZVTWTQGO-GFCCVEGCSA-N 1 0 349.453 -1.188 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874423 787104810 /nfs/dbraw/zinc/10/48/10/787104810.db2.gz XRSYHQZVTWTQGO-LBPRGKRZSA-N 1 0 349.453 -1.188 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874436 787104705 /nfs/dbraw/zinc/10/47/05/787104705.db2.gz XVAQVYVZAPNYAD-SECBINFHSA-N 1 0 334.398 -1.885 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874437 787104094 /nfs/dbraw/zinc/10/40/94/787104094.db2.gz XVAQVYVZAPNYAD-VIFPVBQESA-N 1 0 334.398 -1.885 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001131874476 787104208 /nfs/dbraw/zinc/10/42/08/787104208.db2.gz YWCIKNGPFGXKCD-LLVKDONJSA-N 1 0 345.421 -1.192 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001131874477 787104185 /nfs/dbraw/zinc/10/41/85/787104185.db2.gz YWCIKNGPFGXKCD-NSHDSACASA-N 1 0 345.421 -1.192 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131877267 787106534 /nfs/dbraw/zinc/10/65/34/787106534.db2.gz AGMNGGMSAMDQQQ-GFCCVEGCSA-N 1 0 340.384 -1.341 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131877268 787106589 /nfs/dbraw/zinc/10/65/89/787106589.db2.gz AGMNGGMSAMDQQQ-LBPRGKRZSA-N 1 0 340.384 -1.341 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)c1cnn(C)c1 ZINC001131877683 787106164 /nfs/dbraw/zinc/10/61/64/787106164.db2.gz KDUJSHFEBMWHTI-AWEZNQCLSA-N 1 0 341.412 -1.034 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)c1cnn(C)c1 ZINC001131877684 787105831 /nfs/dbraw/zinc/10/58/31/787105831.db2.gz KDUJSHFEBMWHTI-CQSZACIVSA-N 1 0 341.412 -1.034 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c1cnn(C)c1 ZINC001131877689 787106911 /nfs/dbraw/zinc/10/69/11/787106911.db2.gz KJVLJWQAIRXXNG-PSASIEDQSA-N 1 0 326.357 -1.603 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c1cnn(C)c1 ZINC001131877690 787106672 /nfs/dbraw/zinc/10/66/72/787106672.db2.gz KJVLJWQAIRXXNG-SCZZXKLOSA-N 1 0 326.357 -1.603 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c1cnn(C)c1 ZINC001131877691 787105846 /nfs/dbraw/zinc/10/58/46/787105846.db2.gz KJVLJWQAIRXXNG-WCBMZHEXSA-N 1 0 326.357 -1.603 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c1cnn(C)c1 ZINC001131877692 787106057 /nfs/dbraw/zinc/10/60/57/787106057.db2.gz KJVLJWQAIRXXNG-WPRPVWTQSA-N 1 0 326.357 -1.603 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131877767 787107001 /nfs/dbraw/zinc/10/70/01/787107001.db2.gz MMDOTJLLHDLTGX-KBPBESRZSA-N 1 0 344.412 -1.163 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131877768 787106069 /nfs/dbraw/zinc/10/60/69/787106069.db2.gz MMDOTJLLHDLTGX-KGLIPLIRSA-N 1 0 344.412 -1.163 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131877769 787106878 /nfs/dbraw/zinc/10/68/78/787106878.db2.gz MMDOTJLLHDLTGX-UONOGXRCSA-N 1 0 344.412 -1.163 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131877770 787106663 /nfs/dbraw/zinc/10/66/63/787106663.db2.gz MMDOTJLLHDLTGX-ZIAGYGMSSA-N 1 0 344.412 -1.163 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)c1cnn(C)c1 ZINC001131877817 787106903 /nfs/dbraw/zinc/10/69/03/787106903.db2.gz NEGULPOCDGHAQU-AWEZNQCLSA-N 1 0 337.380 -1.038 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)c1cnn(C)c1 ZINC001131877818 787106582 /nfs/dbraw/zinc/10/65/82/787106582.db2.gz NEGULPOCDGHAQU-CQSZACIVSA-N 1 0 337.380 -1.038 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131877861 787106939 /nfs/dbraw/zinc/10/69/39/787106939.db2.gz OLLFVZQQKVXPOX-AWEZNQCLSA-N 1 0 341.412 -1.034 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131877862 787106574 /nfs/dbraw/zinc/10/65/74/787106574.db2.gz OLLFVZQQKVXPOX-CQSZACIVSA-N 1 0 341.412 -1.034 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)c1cnn(C)c1 ZINC001131877873 787106291 /nfs/dbraw/zinc/10/62/91/787106291.db2.gz PADWBPNMPYRZGX-LLVKDONJSA-N 1 0 333.414 -1.637 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)c1cnn(C)c1 ZINC001131877874 787106142 /nfs/dbraw/zinc/10/61/42/787106142.db2.gz PADWBPNMPYRZGX-NSHDSACASA-N 1 0 333.414 -1.637 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cnn(C)c1 ZINC001131877947 787106864 /nfs/dbraw/zinc/10/68/64/787106864.db2.gz QTUUDPKZHXYJFE-GFCCVEGCSA-N 1 0 338.368 -1.635 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cnn(C)c1 ZINC001131877948 787106661 /nfs/dbraw/zinc/10/66/61/787106661.db2.gz QTUUDPKZHXYJFE-LBPRGKRZSA-N 1 0 338.368 -1.635 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131877991 787106950 /nfs/dbraw/zinc/10/69/50/787106950.db2.gz SGDKEGKWQHGATP-GFCCVEGCSA-N 1 0 347.441 -1.247 20 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CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001131880821 787106482 /nfs/dbraw/zinc/10/64/82/787106482.db2.gz MBOVHVQPFJDUEA-CMPLNLGQSA-N 1 0 330.385 -1.411 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001131880822 787106678 /nfs/dbraw/zinc/10/66/78/787106678.db2.gz MBOVHVQPFJDUEA-JQWIXIFHSA-N 1 0 330.385 -1.411 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001131880823 787106667 /nfs/dbraw/zinc/10/66/67/787106667.db2.gz MBOVHVQPFJDUEA-PWSUYJOCSA-N 1 0 330.385 -1.411 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001131880824 787106745 /nfs/dbraw/zinc/10/67/45/787106745.db2.gz MBOVHVQPFJDUEA-ZYHUDNBSSA-N 1 0 330.385 -1.411 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001131881015 787106704 /nfs/dbraw/zinc/10/67/04/787106704.db2.gz NTRZSMARILYFES-GXTWGEPZSA-N 1 0 331.413 -1.104 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001131881016 787108175 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CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001131881438 787108767 /nfs/dbraw/zinc/10/87/67/787108767.db2.gz QWGAJTOZJCPVOO-YPMHNXCESA-N 1 0 344.412 -1.021 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@H]1CCOC1 ZINC001131881465 787108755 /nfs/dbraw/zinc/10/87/55/787108755.db2.gz RGLGKBOCSSDALD-GXTWGEPZSA-N 1 0 329.397 -1.398 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@H]1CCOC1 ZINC001131881466 787108574 /nfs/dbraw/zinc/10/85/74/787108574.db2.gz RGLGKBOCSSDALD-JSGCOSHPSA-N 1 0 329.397 -1.398 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@@H]1CCOC1 ZINC001131881467 787108021 /nfs/dbraw/zinc/10/80/21/787108021.db2.gz RGLGKBOCSSDALD-OCCSQVGLSA-N 1 0 329.397 -1.398 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@@H]1CCOC1 ZINC001131881468 787108697 /nfs/dbraw/zinc/10/86/97/787108697.db2.gz RGLGKBOCSSDALD-TZMCWYRMSA-N 1 0 329.397 -1.398 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1CCOC1 ZINC001131883830 787106669 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CCN(C)C(=O)C[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132108393 787119155 /nfs/dbraw/zinc/11/91/55/787119155.db2.gz GLEYMGURJNUKEC-UHFFFAOYSA-N 1 0 335.372 -1.508 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]Cc2ccnn2C)nn1-c1nc[nH]n1 ZINC001132108449 787118720 /nfs/dbraw/zinc/11/87/20/787118720.db2.gz HOIHBRPTHJRGES-UHFFFAOYSA-N 1 0 330.356 -1.053 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CC(=O)N2CCCC2)nn1-c1nc[nH]n1 ZINC001132108598 787118696 /nfs/dbraw/zinc/11/86/96/787118696.db2.gz MJDJDPWIXJLERX-UHFFFAOYSA-N 1 0 347.383 -1.364 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)nn1-c1nc[nH]n1 ZINC001132108649 787117676 /nfs/dbraw/zinc/11/76/76/787117676.db2.gz OGSRVVNCYVCQLC-UHFFFAOYSA-N 1 0 349.399 -1.072 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CC(=O)N(C)C2CC2)nn1-c1nc[nH]n1 ZINC001132108768 787119122 /nfs/dbraw/zinc/11/91/22/787119122.db2.gz QTMVWIFNLPSMOZ-UHFFFAOYSA-N 1 0 347.383 -1.366 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CC(=O)NCC2CC2)nn1-c1nc[nH]n1 ZINC001132108774 787117496 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COCCOCC[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109518 787120453 /nfs/dbraw/zinc/12/04/53/787120453.db2.gz CHQQVXRMOCBNKU-UHFFFAOYSA-N 1 0 338.372 -1.324 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109567 787119912 /nfs/dbraw/zinc/11/99/12/787119912.db2.gz FEPCWKVXMLJXNP-UHFFFAOYSA-N 1 0 349.399 -1.070 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CCc2ccnn2C)nn1-c1nc[nH]n1 ZINC001132109574 787120687 /nfs/dbraw/zinc/12/06/87/787120687.db2.gz FQKQMHVDCHLPHE-UHFFFAOYSA-N 1 0 344.383 -1.011 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CCn2cccn2)nn1-c1nc[nH]n1 ZINC001132109580 787120140 /nfs/dbraw/zinc/12/01/40/787120140.db2.gz FSXSBENGTHSYRT-UHFFFAOYSA-N 1 0 330.356 -1.090 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+][C@H](C)C(=O)NC2CC2)nn1-c1nc[nH]n1 ZINC001132109586 787120791 /nfs/dbraw/zinc/12/07/91/787120791.db2.gz GIMSAYOKKRNPOV-MRVPVSSYSA-N 1 0 347.383 -1.320 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC2CC2)nn1-c1nc[nH]n1 ZINC001132109587 787120001 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CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109776 787119817 /nfs/dbraw/zinc/11/98/17/787119817.db2.gz PSQHFCMRCMHSTF-VIFPVBQESA-N 1 0 349.399 -1.072 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)nn1-c1nc[nH]n1 ZINC001132109806 787120318 /nfs/dbraw/zinc/12/03/18/787120318.db2.gz RJNSZVNTDLMUGM-MRVPVSSYSA-N 1 0 347.339 -2.182 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)nn1-c1nc[nH]n1 ZINC001132109807 787120039 /nfs/dbraw/zinc/12/00/39/787120039.db2.gz RJNSZVNTDLMUGM-QMMMGPOBSA-N 1 0 347.339 -2.182 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)nn1-c1nc[nH]n1 ZINC001132109817 787121253 /nfs/dbraw/zinc/12/12/53/787121253.db2.gz RTSKSAGOHXTHCX-UHFFFAOYSA-N 1 0 336.316 -2.792 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109841 787121213 /nfs/dbraw/zinc/12/12/13/787121213.db2.gz SNMNZDBPJOQUNY-SECBINFHSA-N 1 0 349.399 -1.072 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109842 787119884 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Cc1nc(C(=O)NCC[NH2+][C@H]2CCCNC2=O)nn1-c1nc[nH]n1 ZINC001132109963 787120536 /nfs/dbraw/zinc/12/05/36/787120536.db2.gz YVEKIELNJRHZSF-VIFPVBQESA-N 1 0 333.356 -1.708 20 0 EAADRO Cc1nn(C)c2ncc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cc12 ZINC001132112441 787121277 /nfs/dbraw/zinc/12/12/77/787121277.db2.gz NBSIFOBYGKXFHQ-UHFFFAOYSA-N 1 0 333.352 -1.209 20 0 EAADRO Cc1noc(CCC(=O)NCC[NH2+]CC(=O)N2CCOCC2)n1 ZINC001132113730 787119774 /nfs/dbraw/zinc/11/97/74/787119774.db2.gz AWGHYIWVGLGZAS-UHFFFAOYSA-N 1 0 325.369 -1.125 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cccn2)nc1 ZINC001132113933 787120635 /nfs/dbraw/zinc/12/06/35/787120635.db2.gz DXDCURUBMJYNEC-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO Cc1noc(CCC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001132114461 787120994 /nfs/dbraw/zinc/12/09/94/787120994.db2.gz GSYFXYVGYHZNKA-UHFFFAOYSA-N 1 0 338.368 -2.025 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1nc(C)no1 ZINC001132114472 787120699 /nfs/dbraw/zinc/12/06/99/787120699.db2.gz 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O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccc(-n2cncn2)nc1 ZINC001132121383 787119286 /nfs/dbraw/zinc/11/92/86/787119286.db2.gz SIRHHJRJEXCILJ-NSHDSACASA-N 1 0 343.347 -1.213 20 0 EAADRO CC(C)(C)C(=O)NCCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132122907 787117933 /nfs/dbraw/zinc/11/79/33/787117933.db2.gz JLHPVSHCOQTGII-UHFFFAOYSA-N 1 0 329.401 -1.170 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001132123210 787122022 /nfs/dbraw/zinc/12/20/22/787122022.db2.gz YIZMIYOMXQKENL-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCNC(=O)C(C)(C)C ZINC001132126407 787121233 /nfs/dbraw/zinc/12/12/33/787121233.db2.gz XRWITKGYIHNHRL-UHFFFAOYSA-N 1 0 329.401 -1.300 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001132128402 787120337 /nfs/dbraw/zinc/12/03/37/787120337.db2.gz FKXLWXIDRIDXTG-SECBINFHSA-N 1 0 329.401 -1.301 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001132128403 787120842 /nfs/dbraw/zinc/12/08/42/787120842.db2.gz 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ZINC001132129832 787121204 /nfs/dbraw/zinc/12/12/04/787121204.db2.gz ZVGZUXRXHATZAF-UHFFFAOYSA-N 1 0 336.458 -1.206 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001132132092 787120205 /nfs/dbraw/zinc/12/02/05/787120205.db2.gz CIFPYFXTDMJGTA-UHFFFAOYSA-N 1 0 332.364 -1.566 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC001132132099 787121095 /nfs/dbraw/zinc/12/10/95/787121095.db2.gz CUYPUEYITNPSIG-UHFFFAOYSA-N 1 0 346.391 -1.177 20 0 EAADRO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C ZINC001132132140 787121223 /nfs/dbraw/zinc/12/12/23/787121223.db2.gz OCPSBKWQAJMRJN-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO COCC[N@@H+]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C ZINC001132132142 787119931 /nfs/dbraw/zinc/11/99/31/787119931.db2.gz OCPSBKWQAJMRJN-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO COCC[N@@H+]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C ZINC001132132144 787121149 /nfs/dbraw/zinc/12/11/49/787121149.db2.gz OCPSBKWQAJMRJN-WCQYABFASA-N 1 0 328.413 -1.146 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CC(C)CNC(=O)C[NH2+]CCNC(=O)Cn1nc2ccccn2c1=O ZINC001132141861 787123977 /nfs/dbraw/zinc/12/39/77/787123977.db2.gz VFWWMAUWUBPUER-UHFFFAOYSA-N 1 0 348.407 -1.026 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)NCC[NH2+]CCN1CCCC1=O ZINC001132141885 787125295 /nfs/dbraw/zinc/12/52/95/787125295.db2.gz WMXHWSMEXAZYLA-UHFFFAOYSA-N 1 0 346.391 -1.176 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)Cn2nc3ccccn3c2=O)C1=O ZINC001132141891 787125647 /nfs/dbraw/zinc/12/56/47/787125647.db2.gz WYTRPWGARISUIS-LLVKDONJSA-N 1 0 332.364 -1.568 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)Cn2nc3ccccn3c2=O)C1=O ZINC001132141892 787124360 /nfs/dbraw/zinc/12/43/60/787124360.db2.gz WYTRPWGARISUIS-NSHDSACASA-N 1 0 332.364 -1.568 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001132141912 787125548 /nfs/dbraw/zinc/12/55/48/787125548.db2.gz XOZFJCYWUSMBEN-JTQLQIEISA-N 1 0 346.347 -1.993 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001132141913 787124550 /nfs/dbraw/zinc/12/45/50/787124550.db2.gz XOZFJCYWUSMBEN-SNVBAGLBSA-N 1 0 346.347 -1.993 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001132142064 787125404 /nfs/dbraw/zinc/12/54/04/787125404.db2.gz ZOLOGNYKRXZJDC-UHFFFAOYSA-N 1 0 346.391 -1.272 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)NCC[NH2+]CCn1cncn1 ZINC001132142073 787125019 /nfs/dbraw/zinc/12/50/19/787125019.db2.gz ZWSWPNPTRBWPRP-UHFFFAOYSA-N 1 0 330.352 -1.507 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1c[nH]nc1C ZINC001132146980 787123402 /nfs/dbraw/zinc/12/34/02/787123402.db2.gz NGLQTVAPJVDTSG-UHFFFAOYSA-N 1 0 347.441 -1.007 20 0 EAADRO Cc1n[nH]cc1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001132147010 787123476 /nfs/dbraw/zinc/12/34/76/787123476.db2.gz OYIQSTYYNBUKLR-UHFFFAOYSA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1n[nH]cc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001132147015 787122488 /nfs/dbraw/zinc/12/24/88/787122488.db2.gz PBHHTELSHIWHGV-LLVKDONJSA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1n[nH]cc1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001132147016 787121742 /nfs/dbraw/zinc/12/17/42/787121742.db2.gz PBHHTELSHIWHGV-NSHDSACASA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2c[nH]nc2C)CC1 ZINC001132147196 787122444 /nfs/dbraw/zinc/12/24/44/787122444.db2.gz WYIJWJWKKAYAKQ-UHFFFAOYSA-N 1 0 336.396 -1.272 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1C ZINC001132149801 787122690 /nfs/dbraw/zinc/12/26/90/787122690.db2.gz JTMCIXRNCIGDFE-SECBINFHSA-N 1 0 340.384 -1.102 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1C ZINC001132149810 787122841 /nfs/dbraw/zinc/12/28/41/787122841.db2.gz JTMCIXRNCIGDFE-VIFPVBQESA-N 1 0 340.384 -1.102 20 0 EAADRO Cc1n[nH]cc1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001132149927 787121911 /nfs/dbraw/zinc/12/19/11/787121911.db2.gz MNYGLOLEEMEGTH-UHFFFAOYSA-N 1 0 336.396 -1.224 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1-n1cccc1 ZINC001132153513 787122175 /nfs/dbraw/zinc/12/21/75/787122175.db2.gz FLQKYFVBFKNSHI-UHFFFAOYSA-N 1 0 333.352 -1.275 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1-n1cccc1 ZINC001132154117 787122793 /nfs/dbraw/zinc/12/27/93/787122793.db2.gz UNDDHBROPLGKHX-UHFFFAOYSA-N 1 0 347.379 -1.014 20 0 EAADRO CCCc1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]n1 ZINC001132165865 787124098 /nfs/dbraw/zinc/12/40/98/787124098.db2.gz HCRPFQZTURKQRH-UHFFFAOYSA-N 1 0 336.396 -1.360 20 0 EAADRO CC(C)C(=O)N1CCC(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001132168514 787124304 /nfs/dbraw/zinc/12/43/04/787124304.db2.gz KXLHHONNPWFLPQ-UHFFFAOYSA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001132174107 787124879 /nfs/dbraw/zinc/12/48/79/787124879.db2.gz APFRDNAOTICUBJ-UHFFFAOYSA-N 1 0 338.368 -1.828 20 0 EAADRO Cc1nn(C)c(=O)c(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c1C ZINC001132174112 787124997 /nfs/dbraw/zinc/12/49/97/787124997.db2.gz AUEWXPBFWPDVFQ-JTQLQIEISA-N 1 0 335.364 -1.478 20 0 EAADRO Cc1nn(C)c(=O)c(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)c1C ZINC001132174113 787124011 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Cc1n[nH]c(=O)c(C(=O)NCC[NH2+]CCNS(C)(=O)=O)c1C ZINC001132191485 787124702 /nfs/dbraw/zinc/12/47/02/787124702.db2.gz NGOKUMOILJFMQQ-UHFFFAOYSA-N 1 0 331.398 -1.332 20 0 EAADRO Cc1cc(C)n2ncc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c2n1 ZINC001132202582 787126818 /nfs/dbraw/zinc/12/68/18/787126818.db2.gz FOXMKNZIAOMLLX-UHFFFAOYSA-N 1 0 333.352 -1.140 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn2cccnc12 ZINC001132205447 787126288 /nfs/dbraw/zinc/12/62/88/787126288.db2.gz DPJMSXKRUFDDDX-UHFFFAOYSA-N 1 0 333.352 -1.106 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnn2cccnc12)N1CCNC(=O)C1 ZINC001132205574 787126922 /nfs/dbraw/zinc/12/69/22/787126922.db2.gz KMSOSQBLNAAARN-UHFFFAOYSA-N 1 0 345.363 -1.993 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnn2cccnc12)N1CCOCC1 ZINC001132205703 787127101 /nfs/dbraw/zinc/12/71/01/787127101.db2.gz QKZQQQYJDWFOFQ-UHFFFAOYSA-N 1 0 332.364 -1.093 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cnn2cccnc12)S(C)(=O)=O ZINC001132205721 787126695 /nfs/dbraw/zinc/12/66/95/787126695.db2.gz 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O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cnn2cccnc12 ZINC001132213009 787125163 /nfs/dbraw/zinc/12/51/63/787125163.db2.gz VSZVRIHLKNDKPL-UHFFFAOYSA-N 1 0 331.336 -1.400 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001132213047 787125202 /nfs/dbraw/zinc/12/52/02/787125202.db2.gz XOBPZEVJVRVNSD-UHFFFAOYSA-N 1 0 334.384 -1.175 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CCOCCO ZINC001132215055 787124627 /nfs/dbraw/zinc/12/46/27/787124627.db2.gz RCUNCANGZSDDOS-KBPBESRZSA-N 1 0 342.440 -1.604 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CCOCCO ZINC001132215056 787124426 /nfs/dbraw/zinc/12/44/26/787124426.db2.gz RCUNCANGZSDDOS-KGLIPLIRSA-N 1 0 342.440 -1.604 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CCOCCO ZINC001132215057 787123873 /nfs/dbraw/zinc/12/38/73/787123873.db2.gz RCUNCANGZSDDOS-UONOGXRCSA-N 1 0 342.440 -1.604 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CCOCCO ZINC001132215058 787125591 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Cc1nn[nH]c1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001132219150 787127057 /nfs/dbraw/zinc/12/70/57/787127057.db2.gz BMXBUFMGLUZGGG-VIFPVBQESA-N 1 0 325.373 -1.975 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132219195 787126962 /nfs/dbraw/zinc/12/69/62/787126962.db2.gz DDEFGCIUKWYGDJ-UHFFFAOYSA-N 1 0 339.400 -1.583 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001132219683 787127720 /nfs/dbraw/zinc/12/77/20/787127720.db2.gz JOFZKBRHIUUGQV-JTQLQIEISA-N 1 0 337.384 -1.844 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001132219684 787126451 /nfs/dbraw/zinc/12/64/51/787126451.db2.gz JOFZKBRHIUUGQV-SNVBAGLBSA-N 1 0 337.384 -1.844 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132219780 787126660 /nfs/dbraw/zinc/12/66/60/787126660.db2.gz MAQNYMCRGUFNHH-MRVPVSSYSA-N 1 0 341.372 -1.707 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132219781 787127743 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CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2[nH]nnc2C)CC1 ZINC001132220139 787127677 /nfs/dbraw/zinc/12/76/77/787127677.db2.gz SGIHBYSICLFDIO-UHFFFAOYSA-N 1 0 337.384 -1.877 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001132220179 787126579 /nfs/dbraw/zinc/12/65/79/787126579.db2.gz UJTFBFGCGBKPKT-LLVKDONJSA-N 1 0 327.385 -1.011 20 0 EAADRO Cc1nn[nH]c1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001132220180 787127086 /nfs/dbraw/zinc/12/70/86/787127086.db2.gz UJTFBFGCGBKPKT-NSHDSACASA-N 1 0 327.385 -1.011 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132220400 787127176 /nfs/dbraw/zinc/12/71/76/787127176.db2.gz ZMLXVKZFKZATOO-UHFFFAOYSA-N 1 0 348.429 -1.612 20 0 EAADRO COc1ccnc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001132223328 787126019 /nfs/dbraw/zinc/12/60/19/787126019.db2.gz UWFXUYSABZRZBQ-UHFFFAOYSA-N 1 0 335.364 -1.632 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccccc1C(N)=O ZINC001132229142 787127374 /nfs/dbraw/zinc/12/73/74/787127374.db2.gz 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NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001132336983 787134770 /nfs/dbraw/zinc/13/47/70/787134770.db2.gz DRWZFKMNPGVZHZ-WDEREUQCSA-N 1 0 332.426 -1.761 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132336996 787134590 /nfs/dbraw/zinc/13/45/90/787134590.db2.gz DZJCMOYKQJCJSR-NXEZZACHSA-N 1 0 325.369 -2.838 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132336997 787134685 /nfs/dbraw/zinc/13/46/85/787134685.db2.gz DZJCMOYKQJCJSR-UWVGGRQHSA-N 1 0 325.369 -2.838 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132336998 787134573 /nfs/dbraw/zinc/13/45/73/787134573.db2.gz DZJCMOYKQJCJSR-VHSXEESVSA-N 1 0 325.369 -2.838 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132336999 787134416 /nfs/dbraw/zinc/13/44/16/787134416.db2.gz DZJCMOYKQJCJSR-ZJUUUORDSA-N 1 0 325.369 -2.838 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132337266 787134546 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/nfs/dbraw/zinc/13/59/73/787135973.db2.gz MCADCNVAGGQBSO-YUMQZZPRSA-N 1 0 326.382 -1.306 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001132337746 787135900 /nfs/dbraw/zinc/13/59/00/787135900.db2.gz NEAOCQAHRZCXOL-LLVKDONJSA-N 1 0 341.412 -2.058 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001132337747 787136295 /nfs/dbraw/zinc/13/62/95/787136295.db2.gz NEAOCQAHRZCXOL-NSHDSACASA-N 1 0 341.412 -2.058 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001132337802 787135615 /nfs/dbraw/zinc/13/56/15/787135615.db2.gz NQQNMHCWPDIFSB-SECBINFHSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001132337803 787136107 /nfs/dbraw/zinc/13/61/07/787136107.db2.gz NQQNMHCWPDIFSB-VIFPVBQESA-N 1 0 327.385 -1.466 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001132337942 787136102 /nfs/dbraw/zinc/13/61/02/787136102.db2.gz OEDDXQCYDLLWMH-NXEZZACHSA-N 1 0 325.369 -1.808 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001132337943 787135754 /nfs/dbraw/zinc/13/57/54/787135754.db2.gz OEDDXQCYDLLWMH-UWVGGRQHSA-N 1 0 325.369 -1.808 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001132337944 787136304 /nfs/dbraw/zinc/13/63/04/787136304.db2.gz OEDDXQCYDLLWMH-VHSXEESVSA-N 1 0 325.369 -1.808 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001132337945 787136193 /nfs/dbraw/zinc/13/61/93/787136193.db2.gz OEDDXQCYDLLWMH-ZJUUUORDSA-N 1 0 325.369 -1.808 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001132337980 787135887 /nfs/dbraw/zinc/13/58/87/787135887.db2.gz OSTGHUHJIXEGAU-NEPJUHHUSA-N 1 0 326.397 -1.501 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001132337981 787136087 /nfs/dbraw/zinc/13/60/87/787136087.db2.gz OSTGHUHJIXEGAU-NWDGAFQWSA-N 1 0 326.397 -1.501 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001132337982 787136456 /nfs/dbraw/zinc/13/64/56/787136456.db2.gz OSTGHUHJIXEGAU-RYUDHWBXSA-N 1 0 326.397 -1.501 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001132337983 787136017 /nfs/dbraw/zinc/13/60/17/787136017.db2.gz OSTGHUHJIXEGAU-VXGBXAGGSA-N 1 0 326.397 -1.501 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001132338226 787134523 /nfs/dbraw/zinc/13/45/23/787134523.db2.gz RTLRLLXMKSRSKQ-NXEZZACHSA-N 1 0 329.401 -2.203 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001132338227 787134596 /nfs/dbraw/zinc/13/45/96/787134596.db2.gz RTLRLLXMKSRSKQ-UWVGGRQHSA-N 1 0 329.401 -2.203 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H](C)CC(N)=O)C(=O)N(C)C ZINC001132338228 787136285 /nfs/dbraw/zinc/13/62/85/787136285.db2.gz RTLRLLXMKSRSKQ-VHSXEESVSA-N 1 0 329.401 -2.203 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001132338229 787135655 /nfs/dbraw/zinc/13/56/55/787135655.db2.gz RTLRLLXMKSRSKQ-ZJUUUORDSA-N 1 0 329.401 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787138030 /nfs/dbraw/zinc/13/80/30/787138030.db2.gz TVHTZUNJEHEHDR-SNVBAGLBSA-N 1 0 329.401 -1.170 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001132338426 787137323 /nfs/dbraw/zinc/13/73/23/787137323.db2.gz UAQHTBFPMPOLFH-BDAKNGLRSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)CC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001132338427 787137830 /nfs/dbraw/zinc/13/78/30/787137830.db2.gz UAQHTBFPMPOLFH-DTWKUNHWSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001132338428 787137818 /nfs/dbraw/zinc/13/78/18/787137818.db2.gz UAQHTBFPMPOLFH-IUCAKERBSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001132338429 787138335 /nfs/dbraw/zinc/13/83/35/787138335.db2.gz UAQHTBFPMPOLFH-RKDXNWHRSA-N 1 0 327.385 -1.420 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001132338446 787138264 /nfs/dbraw/zinc/13/82/64/787138264.db2.gz UIZVZISQCLZTFS-CHWSQXEVSA-N 1 0 333.392 -1.085 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001132338447 787137953 /nfs/dbraw/zinc/13/79/53/787137953.db2.gz UIZVZISQCLZTFS-OLZOCXBDSA-N 1 0 333.392 -1.085 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001132338448 787137924 /nfs/dbraw/zinc/13/79/24/787137924.db2.gz UIZVZISQCLZTFS-QWHCGFSZSA-N 1 0 333.392 -1.085 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001132338449 787137422 /nfs/dbraw/zinc/13/74/22/787137422.db2.gz UIZVZISQCLZTFS-STQMWFEESA-N 1 0 333.392 -1.085 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001132338618 787138081 /nfs/dbraw/zinc/13/80/81/787138081.db2.gz VJBUVZJGNRXJGN-SECBINFHSA-N 1 0 325.369 -2.199 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001132338619 787138436 /nfs/dbraw/zinc/13/84/36/787138436.db2.gz VJBUVZJGNRXJGN-VIFPVBQESA-N 1 0 325.369 -2.199 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001132338674 787137945 /nfs/dbraw/zinc/13/79/45/787137945.db2.gz WINSLBXZPRLETH-JTQLQIEISA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001132338675 787138365 /nfs/dbraw/zinc/13/83/65/787138365.db2.gz WINSLBXZPRLETH-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001132338835 787137963 /nfs/dbraw/zinc/13/79/63/787137963.db2.gz XOQZCWAZZIJONP-GHMZBOCLSA-N 1 0 341.412 -2.072 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001132338840 787138095 /nfs/dbraw/zinc/13/80/95/787138095.db2.gz XOQZCWAZZIJONP-MNOVXSKESA-N 1 0 341.412 -2.072 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001132338842 787138221 /nfs/dbraw/zinc/13/82/21/787138221.db2.gz XOQZCWAZZIJONP-QWRGUYRKSA-N 1 0 341.412 -2.072 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001132338843 787138068 /nfs/dbraw/zinc/13/80/68/787138068.db2.gz XOQZCWAZZIJONP-WDEREUQCSA-N 1 0 341.412 -2.072 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132341557 787137239 /nfs/dbraw/zinc/13/72/39/787137239.db2.gz CJQUKHDPWCSGGO-GHMZBOCLSA-N 1 0 334.442 -1.467 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132341558 787138107 /nfs/dbraw/zinc/13/81/07/787138107.db2.gz CJQUKHDPWCSGGO-MNOVXSKESA-N 1 0 334.442 -1.467 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132341559 787137799 /nfs/dbraw/zinc/13/77/99/787137799.db2.gz CJQUKHDPWCSGGO-QWRGUYRKSA-N 1 0 334.442 -1.467 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132341560 787137257 /nfs/dbraw/zinc/13/72/57/787137257.db2.gz CJQUKHDPWCSGGO-WDEREUQCSA-N 1 0 334.442 -1.467 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001132341772 787138351 /nfs/dbraw/zinc/13/83/51/787138351.db2.gz JIIDNEJJAIZHSW-JTQLQIEISA-N 1 0 349.391 -1.059 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001132341773 787137522 /nfs/dbraw/zinc/13/75/22/787137522.db2.gz JIIDNEJJAIZHSW-SNVBAGLBSA-N 1 0 349.391 -1.059 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001132341956 787137651 /nfs/dbraw/zinc/13/76/51/787137651.db2.gz PCXGBRQLCXBJTM-JTQLQIEISA-N 1 0 343.428 -1.765 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001132341957 787138409 /nfs/dbraw/zinc/13/84/09/787138409.db2.gz PCXGBRQLCXBJTM-SNVBAGLBSA-N 1 0 343.428 -1.765 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001132342010 787138481 /nfs/dbraw/zinc/13/84/81/787138481.db2.gz QTCDSGOUFDQVRF-JTQLQIEISA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001132342011 787138285 /nfs/dbraw/zinc/13/82/85/787138285.db2.gz QTCDSGOUFDQVRF-SNVBAGLBSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001132344222 787139245 /nfs/dbraw/zinc/13/92/45/787139245.db2.gz CLXOXOPFWASAEH-AAEUAGOBSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001132344223 787140026 /nfs/dbraw/zinc/14/00/26/787140026.db2.gz CLXOXOPFWASAEH-DGCLKSJQSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001132344224 787139929 /nfs/dbraw/zinc/13/99/29/787139929.db2.gz CLXOXOPFWASAEH-WCQYABFASA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001132344225 787139848 /nfs/dbraw/zinc/13/98/48/787139848.db2.gz CLXOXOPFWASAEH-YPMHNXCESA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001132344252 787139127 /nfs/dbraw/zinc/13/91/27/787139127.db2.gz CSJHGHXABDUKBH-NXEZZACHSA-N 1 0 328.369 -2.286 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001132344253 787139682 /nfs/dbraw/zinc/13/96/82/787139682.db2.gz CSJHGHXABDUKBH-UWVGGRQHSA-N 1 0 328.369 -2.286 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001132344254 787139937 /nfs/dbraw/zinc/13/99/37/787139937.db2.gz CSJHGHXABDUKBH-VHSXEESVSA-N 1 0 328.369 -2.286 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001132344255 787139446 /nfs/dbraw/zinc/13/94/46/787139446.db2.gz CSJHGHXABDUKBH-ZJUUUORDSA-N 1 0 328.369 -2.286 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132344310 787139802 /nfs/dbraw/zinc/13/98/02/787139802.db2.gz FFUQJFJQSIAGCO-LLVKDONJSA-N 1 0 337.442 -1.345 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132344311 787139532 /nfs/dbraw/zinc/13/95/32/787139532.db2.gz FFUQJFJQSIAGCO-NSHDSACASA-N 1 0 337.442 -1.345 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001132344376 787139713 /nfs/dbraw/zinc/13/97/13/787139713.db2.gz FKNIDJUNQPECCJ-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001132344379 787139258 /nfs/dbraw/zinc/13/92/58/787139258.db2.gz FKNIDJUNQPECCJ-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001132344381 787140112 /nfs/dbraw/zinc/14/01/12/787140112.db2.gz FKNIDJUNQPECCJ-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001132344383 787140118 /nfs/dbraw/zinc/14/01/18/787140118.db2.gz FKNIDJUNQPECCJ-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001132344395 787139276 /nfs/dbraw/zinc/13/92/76/787139276.db2.gz GCWFRKKWGUIAHH-LLVKDONJSA-N 1 0 338.412 -1.404 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001132344399 787138880 /nfs/dbraw/zinc/13/88/80/787138880.db2.gz GCWFRKKWGUIAHH-NSHDSACASA-N 1 0 338.412 -1.404 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001132344439 787139921 /nfs/dbraw/zinc/13/99/21/787139921.db2.gz HAQKRLWKCUNHDF-JTQLQIEISA-N 1 0 341.412 -2.072 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001132344441 787139431 /nfs/dbraw/zinc/13/94/31/787139431.db2.gz HAQKRLWKCUNHDF-SNVBAGLBSA-N 1 0 341.412 -2.072 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132345156 787139007 /nfs/dbraw/zinc/13/90/07/787139007.db2.gz NNZCXYMPWVTQIC-JTQLQIEISA-N 1 0 329.401 -1.315 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132345157 787139574 /nfs/dbraw/zinc/13/95/74/787139574.db2.gz NNZCXYMPWVTQIC-SNVBAGLBSA-N 1 0 329.401 -1.315 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001132345467 787139990 /nfs/dbraw/zinc/13/99/90/787139990.db2.gz QIQGEVNLTXPAQV-CMPLNLGQSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001132345473 787138996 /nfs/dbraw/zinc/13/89/96/787138996.db2.gz QIQGEVNLTXPAQV-JQWIXIFHSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001132345474 787139717 /nfs/dbraw/zinc/13/97/17/787139717.db2.gz QIQGEVNLTXPAQV-PWSUYJOCSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001132345475 787138858 /nfs/dbraw/zinc/13/88/58/787138858.db2.gz QIQGEVNLTXPAQV-ZYHUDNBSSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001132345662 787139904 /nfs/dbraw/zinc/13/99/04/787139904.db2.gz UEJPHOAGFGYPCX-GHMZBOCLSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001132345664 787139454 /nfs/dbraw/zinc/13/94/54/787139454.db2.gz UEJPHOAGFGYPCX-MNOVXSKESA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001132345666 787139577 /nfs/dbraw/zinc/13/95/77/787139577.db2.gz UEJPHOAGFGYPCX-QWRGUYRKSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001132345668 787139856 /nfs/dbraw/zinc/13/98/56/787139856.db2.gz UEJPHOAGFGYPCX-WDEREUQCSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001132345914 787140037 /nfs/dbraw/zinc/14/00/37/787140037.db2.gz YDRRNSBFMQUJLP-SECBINFHSA-N 1 0 329.401 -1.172 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001132345915 787139971 /nfs/dbraw/zinc/13/99/71/787139971.db2.gz YDRRNSBFMQUJLP-VIFPVBQESA-N 1 0 329.401 -1.172 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001132350102 787140149 /nfs/dbraw/zinc/14/01/49/787140149.db2.gz QGVCHVQYVORYST-NEPJUHHUSA-N 1 0 331.413 -1.240 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001132350103 787139861 /nfs/dbraw/zinc/13/98/61/787139861.db2.gz QGVCHVQYVORYST-NWDGAFQWSA-N 1 0 331.413 -1.240 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001132350104 787139699 /nfs/dbraw/zinc/13/96/99/787139699.db2.gz QGVCHVQYVORYST-RYUDHWBXSA-N 1 0 331.413 -1.240 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001132350105 787139411 /nfs/dbraw/zinc/13/94/11/787139411.db2.gz QGVCHVQYVORYST-VXGBXAGGSA-N 1 0 331.413 -1.240 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)s1 ZINC001132358451 787141331 /nfs/dbraw/zinc/14/13/31/787141331.db2.gz FCEVLJCQOMWBBN-MRVPVSSYSA-N 1 0 326.382 -1.373 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCNC2=O)s1 ZINC001132358452 787142078 /nfs/dbraw/zinc/14/20/78/787142078.db2.gz FCEVLJCQOMWBBN-QMMMGPOBSA-N 1 0 326.382 -1.373 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(=O)NC(C)(C)C ZINC001132358809 787141058 /nfs/dbraw/zinc/14/10/58/787141058.db2.gz HYDBTPKYLIPQES-NXEZZACHSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCNC1=O)C(=O)NC(=O)NC(C)(C)C ZINC001132358810 787141353 /nfs/dbraw/zinc/14/13/53/787141353.db2.gz HYDBTPKYLIPQES-UWVGGRQHSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(=O)NC(C)(C)C ZINC001132358811 787140805 /nfs/dbraw/zinc/14/08/05/787140805.db2.gz HYDBTPKYLIPQES-VHSXEESVSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCNC1=O)C(=O)NC(=O)NC(C)(C)C ZINC001132358812 787141518 /nfs/dbraw/zinc/14/15/18/787141518.db2.gz HYDBTPKYLIPQES-ZJUUUORDSA-N 1 0 341.412 -1.159 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H]1CCNC1=O ZINC001132358974 787141320 /nfs/dbraw/zinc/14/13/20/787141320.db2.gz KDBJIJHDVUDHNQ-BDAKNGLRSA-N 1 0 327.303 -1.232 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@@H]1CCNC1=O ZINC001132358977 787141345 /nfs/dbraw/zinc/14/13/45/787141345.db2.gz KDBJIJHDVUDHNQ-DTWKUNHWSA-N 1 0 327.303 -1.232 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@H]1CCNC1=O ZINC001132358979 787140984 /nfs/dbraw/zinc/14/09/84/787140984.db2.gz KDBJIJHDVUDHNQ-IUCAKERBSA-N 1 0 327.303 -1.232 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1CCNC1=O ZINC001132358981 787140840 /nfs/dbraw/zinc/14/08/40/787140840.db2.gz KDBJIJHDVUDHNQ-RKDXNWHRSA-N 1 0 327.303 -1.232 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001132359097 787141027 /nfs/dbraw/zinc/14/10/27/787141027.db2.gz MJCIVQOOYBJKJY-GHMZBOCLSA-N 1 0 332.426 -1.890 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001132359099 787141246 /nfs/dbraw/zinc/14/12/46/787141246.db2.gz MJCIVQOOYBJKJY-MNOVXSKESA-N 1 0 332.426 -1.890 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001132359100 787141854 /nfs/dbraw/zinc/14/18/54/787141854.db2.gz MJCIVQOOYBJKJY-QWRGUYRKSA-N 1 0 332.426 -1.890 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001132359102 787142063 /nfs/dbraw/zinc/14/20/63/787142063.db2.gz MJCIVQOOYBJKJY-WDEREUQCSA-N 1 0 332.426 -1.890 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)N1CCOC[C@@H]1C1CC1 ZINC001132359234 787142031 /nfs/dbraw/zinc/14/20/31/787142031.db2.gz NMKMETTUSCTHPR-CHWSQXEVSA-N 1 0 338.408 -1.534 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)N1CCOC[C@H]1C1CC1 ZINC001132359236 787141602 /nfs/dbraw/zinc/14/16/02/787141602.db2.gz NMKMETTUSCTHPR-OLZOCXBDSA-N 1 0 338.408 -1.534 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCNC1=O)N1CCOC[C@@H]1C1CC1 ZINC001132359238 787141904 /nfs/dbraw/zinc/14/19/04/787141904.db2.gz NMKMETTUSCTHPR-QWHCGFSZSA-N 1 0 338.408 -1.534 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCNC1=O)N1CCOC[C@H]1C1CC1 ZINC001132359240 787140938 /nfs/dbraw/zinc/14/09/38/787140938.db2.gz NMKMETTUSCTHPR-STQMWFEESA-N 1 0 338.408 -1.534 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132359385 787141813 /nfs/dbraw/zinc/14/18/13/787141813.db2.gz OUYMYZNAOCCDLY-JTQLQIEISA-N 1 0 341.412 -2.141 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132359396 787141388 /nfs/dbraw/zinc/14/13/88/787141388.db2.gz OUYMYZNAOCCDLY-SNVBAGLBSA-N 1 0 341.412 -2.141 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)NC(=O)NC1CCCC1 ZINC001132359900 787141405 /nfs/dbraw/zinc/14/14/05/787141405.db2.gz UKMIDOUFJNMDJY-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCNC1=O)NC(=O)NC1CCCC1 ZINC001132359904 787142086 /nfs/dbraw/zinc/14/20/86/787142086.db2.gz UKMIDOUFJNMDJY-NSHDSACASA-N 1 0 339.396 -1.403 20 0 EAADRO NC(=O)c1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132360261 787141498 /nfs/dbraw/zinc/14/14/98/787141498.db2.gz XHLSXEXEXGXWPF-LLVKDONJSA-N 1 0 347.375 -1.434 20 0 EAADRO NC(=O)c1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132360262 787141631 /nfs/dbraw/zinc/14/16/31/787141631.db2.gz XHLSXEXEXGXWPF-NSHDSACASA-N 1 0 347.375 -1.434 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[N@@H+]1CCOCCO ZINC001132360690 787141088 /nfs/dbraw/zinc/14/10/88/787141088.db2.gz VMODFRHDZUKPPT-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[N@@H+]1CCOCCO ZINC001132360693 787141830 /nfs/dbraw/zinc/14/18/30/787141830.db2.gz VMODFRHDZUKPPT-NWDGAFQWSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[N@@H+]1CCOCCO ZINC001132360695 787141763 /nfs/dbraw/zinc/14/17/63/787141763.db2.gz VMODFRHDZUKPPT-RYUDHWBXSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[N@@H+]1CCOCCO ZINC001132360697 787141955 /nfs/dbraw/zinc/14/19/55/787141955.db2.gz VMODFRHDZUKPPT-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132362180 787141619 /nfs/dbraw/zinc/14/16/19/787141619.db2.gz AGEHVHFPGHUQDW-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132362181 787141567 /nfs/dbraw/zinc/14/15/67/787141567.db2.gz AGEHVHFPGHUQDW-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132362182 787141914 /nfs/dbraw/zinc/14/19/14/787141914.db2.gz AGEHVHFPGHUQDW-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132362183 787141049 /nfs/dbraw/zinc/14/10/49/787141049.db2.gz AGEHVHFPGHUQDW-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc(=O)n(C)c1=O ZINC001132362382 787140738 /nfs/dbraw/zinc/14/07/38/787140738.db2.gz DROGUNZOLDLEHH-GHMZBOCLSA-N 1 0 337.380 -2.199 20 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787141366 /nfs/dbraw/zinc/14/13/66/787141366.db2.gz FLPFDBZTTJJCPQ-QWRGUYRKSA-N 1 0 341.412 -1.315 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132362418 787141670 /nfs/dbraw/zinc/14/16/70/787141670.db2.gz FLPFDBZTTJJCPQ-WDEREUQCSA-N 1 0 341.412 -1.315 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132362718 787141235 /nfs/dbraw/zinc/14/12/35/787141235.db2.gz LCOWJVULIZLGSN-NXEZZACHSA-N 1 0 325.369 -1.854 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132362719 787141848 /nfs/dbraw/zinc/14/18/48/787141848.db2.gz LCOWJVULIZLGSN-UWVGGRQHSA-N 1 0 325.369 -1.854 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132362720 787141002 /nfs/dbraw/zinc/14/10/02/787141002.db2.gz LCOWJVULIZLGSN-VHSXEESVSA-N 1 0 325.369 -1.854 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132362721 787140769 /nfs/dbraw/zinc/14/07/69/787140769.db2.gz LCOWJVULIZLGSN-ZJUUUORDSA-N 1 0 325.369 -1.854 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1=O ZINC001132362758 787141559 /nfs/dbraw/zinc/14/15/59/787141559.db2.gz MCOIKPOWKQGEFR-NXEZZACHSA-N 1 0 339.396 -1.466 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1=O ZINC001132362759 787141069 /nfs/dbraw/zinc/14/10/69/787141069.db2.gz MCOIKPOWKQGEFR-UWVGGRQHSA-N 1 0 339.396 -1.466 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1=O ZINC001132362760 787141549 /nfs/dbraw/zinc/14/15/49/787141549.db2.gz MCOIKPOWKQGEFR-VHSXEESVSA-N 1 0 339.396 -1.466 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@H]2CC[C@H]2C(N)=O)C1=O ZINC001132362761 787140692 /nfs/dbraw/zinc/14/06/92/787140692.db2.gz MCOIKPOWKQGEFR-ZJUUUORDSA-N 1 0 339.396 -1.466 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132363105 787141042 /nfs/dbraw/zinc/14/10/42/787141042.db2.gz QFNVRHGREGRPAY-NEPJUHHUSA-N 1 0 349.453 -1.345 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132363106 787141752 /nfs/dbraw/zinc/14/17/52/787141752.db2.gz QFNVRHGREGRPAY-NWDGAFQWSA-N 1 0 349.453 -1.345 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132363107 787141861 /nfs/dbraw/zinc/14/18/61/787141861.db2.gz QFNVRHGREGRPAY-RYUDHWBXSA-N 1 0 349.453 -1.345 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132363108 787140920 /nfs/dbraw/zinc/14/09/20/787140920.db2.gz QFNVRHGREGRPAY-VXGBXAGGSA-N 1 0 349.453 -1.345 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132363355 787139184 /nfs/dbraw/zinc/13/91/84/787139184.db2.gz SPNGZUDNXVLFOM-GHMZBOCLSA-N 1 0 341.412 -1.170 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132363356 787139659 /nfs/dbraw/zinc/13/96/59/787139659.db2.gz SPNGZUDNXVLFOM-MNOVXSKESA-N 1 0 341.412 -1.170 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132363357 787140136 /nfs/dbraw/zinc/14/01/36/787140136.db2.gz SPNGZUDNXVLFOM-QWRGUYRKSA-N 1 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CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132363856 787139769 /nfs/dbraw/zinc/13/97/69/787139769.db2.gz ZQZCTLHWMVOHSA-NXEZZACHSA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132363857 787140048 /nfs/dbraw/zinc/14/00/48/787140048.db2.gz ZQZCTLHWMVOHSA-UWVGGRQHSA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132363858 787139997 /nfs/dbraw/zinc/13/99/97/787139997.db2.gz ZQZCTLHWMVOHSA-VHSXEESVSA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132363859 787139982 /nfs/dbraw/zinc/13/99/82/787139982.db2.gz ZQZCTLHWMVOHSA-ZJUUUORDSA-N 1 0 341.412 -1.172 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)c[nH]c1=O ZINC001132366831 787139827 /nfs/dbraw/zinc/13/98/27/787139827.db2.gz ASICTGBSUKEDBU-UHFFFAOYSA-N 1 0 331.398 -1.519 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132366894 787139471 /nfs/dbraw/zinc/13/94/71/787139471.db2.gz CYRWZWWYLLWRTE-UHFFFAOYSA-N 1 0 326.357 -1.319 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c[nH]c1=O ZINC001132366916 787139721 /nfs/dbraw/zinc/13/97/21/787139721.db2.gz DYYAIYQLNGIIOD-JTQLQIEISA-N 1 0 345.425 -1.273 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c[nH]c1=O ZINC001132366917 787138905 /nfs/dbraw/zinc/13/89/05/787138905.db2.gz DYYAIYQLNGIIOD-SNVBAGLBSA-N 1 0 345.425 -1.273 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001132367185 787139841 /nfs/dbraw/zinc/13/98/41/787139841.db2.gz QKVKJQYOQDBLOI-JTQLQIEISA-N 1 0 325.369 -1.572 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)c[nH]c1=O ZINC001132367215 787139502 /nfs/dbraw/zinc/13/95/02/787139502.db2.gz RRBWOSKXIVUKNG-UHFFFAOYSA-N 1 0 331.336 -1.019 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)c[nH]c1=O ZINC001132367367 787140056 /nfs/dbraw/zinc/14/00/56/787140056.db2.gz TYHOLULISKAJFQ-UHFFFAOYSA-N 1 0 325.354 -1.065 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367449 787140088 /nfs/dbraw/zinc/14/00/88/787140088.db2.gz VJUXXFGYTAMRNI-UHFFFAOYSA-N 1 0 333.414 -1.226 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367655 787139763 /nfs/dbraw/zinc/13/97/63/787139763.db2.gz YOVFHFYANAESGM-GHMZBOCLSA-N 1 0 330.385 -1.143 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367659 787139269 /nfs/dbraw/zinc/13/92/69/787139269.db2.gz YOVFHFYANAESGM-MNOVXSKESA-N 1 0 330.385 -1.143 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367661 787139109 /nfs/dbraw/zinc/13/91/09/787139109.db2.gz YOVFHFYANAESGM-QWRGUYRKSA-N 1 0 330.385 -1.143 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367663 787139978 /nfs/dbraw/zinc/13/99/78/787139978.db2.gz YOVFHFYANAESGM-WDEREUQCSA-N 1 0 330.385 -1.143 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)c[nH]c1=O ZINC001132367716 787139909 /nfs/dbraw/zinc/13/99/09/787139909.db2.gz ZOVAAEILHDLSMQ-JTQLQIEISA-N 1 0 325.369 -1.260 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)c[nH]c1=O ZINC001132367718 787140006 /nfs/dbraw/zinc/14/00/06/787140006.db2.gz ZOVAAEILHDLSMQ-SNVBAGLBSA-N 1 0 325.369 -1.260 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132369850 787142302 /nfs/dbraw/zinc/14/23/02/787142302.db2.gz BCUSJOAJZQSBKH-UHFFFAOYSA-N 1 0 348.425 -1.104 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132369853 787143119 /nfs/dbraw/zinc/14/31/19/787143119.db2.gz BEUGODDZZINXGW-UHFFFAOYSA-N 1 0 333.414 -1.273 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132369872 787143203 /nfs/dbraw/zinc/14/32/03/787143203.db2.gz BZOQDCKEGFGBKW-UHFFFAOYSA-N 1 0 340.384 -1.073 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCCn1ccccc1=O)C(=O)NC(N)=O ZINC001132369945 787142325 /nfs/dbraw/zinc/14/23/25/787142325.db2.gz GFAOBNLXWJWEGV-LLVKDONJSA-N 1 0 337.380 -1.082 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCCn1ccccc1=O)C(=O)NC(N)=O ZINC001132369946 787143222 /nfs/dbraw/zinc/14/32/22/787143222.db2.gz GFAOBNLXWJWEGV-NSHDSACASA-N 1 0 337.380 -1.082 20 0 EAADRO O=C(CCCn1ccccc1=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132370023 787143020 /nfs/dbraw/zinc/14/30/20/787143020.db2.gz IMTAMFFREXFYPI-UHFFFAOYSA-N 1 0 349.391 -1.114 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132370141 787143269 /nfs/dbraw/zinc/14/32/69/787143269.db2.gz KZNDSBXIQAVFHO-UHFFFAOYSA-N 1 0 349.395 -1.163 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2c[nH]c(=O)n2C)CCO1 ZINC001132370218 787143216 /nfs/dbraw/zinc/14/32/16/787143216.db2.gz ODIPWFGIBSPAKE-JTQLQIEISA-N 1 0 325.369 -1.308 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2c[nH]c(=O)n2C)CCO1 ZINC001132370219 787142569 /nfs/dbraw/zinc/14/25/69/787142569.db2.gz ODIPWFGIBSPAKE-SNVBAGLBSA-N 1 0 325.369 -1.308 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCn1ccccc1=O ZINC001132370416 787142489 /nfs/dbraw/zinc/14/24/89/787142489.db2.gz SYQGRHKCBVLZJM-UHFFFAOYSA-N 1 0 337.380 -1.210 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCCn1ccccc1=O ZINC001132370512 787143132 /nfs/dbraw/zinc/14/31/32/787143132.db2.gz XXIIIMKQUSTWOU-UHFFFAOYSA-N 1 0 344.437 -1.117 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)cn1 ZINC001132373879 787142805 /nfs/dbraw/zinc/14/28/05/787142805.db2.gz AMQAQCLOHCITPD-CHWSQXEVSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)cn1 ZINC001132373880 787143292 /nfs/dbraw/zinc/14/32/92/787143292.db2.gz AMQAQCLOHCITPD-OLZOCXBDSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)cn1 ZINC001132373881 787142978 /nfs/dbraw/zinc/14/29/78/787142978.db2.gz AMQAQCLOHCITPD-QWHCGFSZSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)cn1 ZINC001132373882 787142732 /nfs/dbraw/zinc/14/27/32/787142732.db2.gz AMQAQCLOHCITPD-STQMWFEESA-N 1 0 348.407 -1.243 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001132373925 787142775 /nfs/dbraw/zinc/14/27/75/787142775.db2.gz ARAMSFWUTMCAHD-NXEZZACHSA-N 1 0 326.353 -2.662 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001132373929 787143183 /nfs/dbraw/zinc/14/31/83/787143183.db2.gz ARAMSFWUTMCAHD-UWVGGRQHSA-N 1 0 326.353 -2.662 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001132373930 787143110 /nfs/dbraw/zinc/14/31/10/787143110.db2.gz ARAMSFWUTMCAHD-VHSXEESVSA-N 1 0 326.353 -2.662 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001132373932 787142942 /nfs/dbraw/zinc/14/29/42/787142942.db2.gz ARAMSFWUTMCAHD-ZJUUUORDSA-N 1 0 326.353 -2.662 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132374003 787144341 /nfs/dbraw/zinc/14/43/41/787144341.db2.gz BETFFJZQIJEEPW-SECBINFHSA-N 1 0 327.385 -1.547 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132374006 787144855 /nfs/dbraw/zinc/14/48/55/787144855.db2.gz BETFFJZQIJEEPW-VIFPVBQESA-N 1 0 327.385 -1.547 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)n1 ZINC001132374070 787144610 /nfs/dbraw/zinc/14/46/10/787144610.db2.gz BTWCRYNHXWPKOE-GHMZBOCLSA-N 1 0 334.380 -1.633 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)n1 ZINC001132374074 787144223 /nfs/dbraw/zinc/14/42/23/787144223.db2.gz BTWCRYNHXWPKOE-MNOVXSKESA-N 1 0 334.380 -1.633 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)n1 ZINC001132374077 787144241 /nfs/dbraw/zinc/14/42/41/787144241.db2.gz BTWCRYNHXWPKOE-QWRGUYRKSA-N 1 0 334.380 -1.633 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)n1 ZINC001132374080 787144351 /nfs/dbraw/zinc/14/43/51/787144351.db2.gz BTWCRYNHXWPKOE-WDEREUQCSA-N 1 0 334.380 -1.633 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132374373 787144478 /nfs/dbraw/zinc/14/44/78/787144478.db2.gz CVFQKLJSZJEDIU-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132374376 787144232 /nfs/dbraw/zinc/14/42/32/787144232.db2.gz CVFQKLJSZJEDIU-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@H]1CCNC1=O ZINC001132374401 787144191 /nfs/dbraw/zinc/14/41/91/787144191.db2.gz CYWMIMXOGXHPNP-AAEUAGOBSA-N 1 0 329.397 -1.615 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1CCNC1=O ZINC001132374405 787144213 /nfs/dbraw/zinc/14/42/13/787144213.db2.gz CYWMIMXOGXHPNP-DGCLKSJQSA-N 1 0 329.397 -1.615 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1CCNC1=O ZINC001132374407 787144589 /nfs/dbraw/zinc/14/45/89/787144589.db2.gz CYWMIMXOGXHPNP-WCQYABFASA-N 1 0 329.397 -1.615 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1CCNC1=O ZINC001132374409 787144058 /nfs/dbraw/zinc/14/40/58/787144058.db2.gz CYWMIMXOGXHPNP-YPMHNXCESA-N 1 0 329.397 -1.615 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132374504 787144687 /nfs/dbraw/zinc/14/46/87/787144687.db2.gz DOSOGOWIOUBMCM-GHMZBOCLSA-N 1 0 341.412 -1.301 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132374507 787144728 /nfs/dbraw/zinc/14/47/28/787144728.db2.gz DOSOGOWIOUBMCM-MNOVXSKESA-N 1 0 341.412 -1.301 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132374509 787144134 /nfs/dbraw/zinc/14/41/34/787144134.db2.gz DOSOGOWIOUBMCM-QWRGUYRKSA-N 1 0 341.412 -1.301 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132374511 787144234 /nfs/dbraw/zinc/14/42/34/787144234.db2.gz DOSOGOWIOUBMCM-WDEREUQCSA-N 1 0 341.412 -1.301 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)n(C)n1 ZINC001132375187 787144573 /nfs/dbraw/zinc/14/45/73/787144573.db2.gz HRPHHYNNKDTRFO-NEPJUHHUSA-N 1 0 348.407 -1.324 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)n(C)n1 ZINC001132375188 787144086 /nfs/dbraw/zinc/14/40/86/787144086.db2.gz HRPHHYNNKDTRFO-NWDGAFQWSA-N 1 0 348.407 -1.324 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)n(C)n1 ZINC001132375189 787144211 /nfs/dbraw/zinc/14/42/11/787144211.db2.gz HRPHHYNNKDTRFO-RYUDHWBXSA-N 1 0 348.407 -1.324 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)n(C)n1 ZINC001132375190 787144901 /nfs/dbraw/zinc/14/49/01/787144901.db2.gz HRPHHYNNKDTRFO-VXGBXAGGSA-N 1 0 348.407 -1.324 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132375226 787144743 /nfs/dbraw/zinc/14/47/43/787144743.db2.gz IAMQTCRVPORPCJ-LLVKDONJSA-N 1 0 335.426 -1.720 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132375235 787144188 /nfs/dbraw/zinc/14/41/88/787144188.db2.gz IAMQTCRVPORPCJ-NSHDSACASA-N 1 0 335.426 -1.720 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001132375331 787144064 /nfs/dbraw/zinc/14/40/64/787144064.db2.gz INWVPTLAIYUAFQ-GFCCVEGCSA-N 1 0 339.396 -2.481 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001132375332 787144165 /nfs/dbraw/zinc/14/41/65/787144165.db2.gz INWVPTLAIYUAFQ-LBPRGKRZSA-N 1 0 339.396 -2.481 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001132375754 787144078 /nfs/dbraw/zinc/14/40/78/787144078.db2.gz JNZJXNWHZMDFMC-GHMZBOCLSA-N 1 0 339.396 -2.448 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001132375756 787144494 /nfs/dbraw/zinc/14/44/94/787144494.db2.gz JNZJXNWHZMDFMC-MNOVXSKESA-N 1 0 339.396 -2.448 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001132375758 787144207 /nfs/dbraw/zinc/14/42/07/787144207.db2.gz JNZJXNWHZMDFMC-QWRGUYRKSA-N 1 0 339.396 -2.448 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001132375760 787144388 /nfs/dbraw/zinc/14/43/88/787144388.db2.gz JNZJXNWHZMDFMC-WDEREUQCSA-N 1 0 339.396 -2.448 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)n1 ZINC001132375838 787143997 /nfs/dbraw/zinc/14/39/97/787143997.db2.gz KJSPUTPEPHBFDS-NEPJUHHUSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)n1 ZINC001132375841 787144617 /nfs/dbraw/zinc/14/46/17/787144617.db2.gz KJSPUTPEPHBFDS-NWDGAFQWSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)n1 ZINC001132375843 787144197 /nfs/dbraw/zinc/14/41/97/787144197.db2.gz KJSPUTPEPHBFDS-RYUDHWBXSA-N 1 0 348.407 -1.243 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)n1 ZINC001132375845 787144179 /nfs/dbraw/zinc/14/41/79/787144179.db2.gz KJSPUTPEPHBFDS-VXGBXAGGSA-N 1 0 348.407 -1.243 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001132376053 787143910 /nfs/dbraw/zinc/14/39/10/787143910.db2.gz MOFCFGWLVHXYBO-LLVKDONJSA-N 1 0 339.396 -2.448 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001132376054 787144193 /nfs/dbraw/zinc/14/41/93/787144193.db2.gz MOFCFGWLVHXYBO-NSHDSACASA-N 1 0 339.396 -2.448 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376102 787144245 /nfs/dbraw/zinc/14/42/45/787144245.db2.gz MXFSPFKHBMZLMH-NXEZZACHSA-N 1 0 327.385 -1.549 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376104 787144372 /nfs/dbraw/zinc/14/43/72/787144372.db2.gz MXFSPFKHBMZLMH-UWVGGRQHSA-N 1 0 327.385 -1.549 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376106 787144448 /nfs/dbraw/zinc/14/44/48/787144448.db2.gz MXFSPFKHBMZLMH-VHSXEESVSA-N 1 0 327.385 -1.549 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376107 787144435 /nfs/dbraw/zinc/14/44/35/787144435.db2.gz MXFSPFKHBMZLMH-ZJUUUORDSA-N 1 0 327.385 -1.549 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376335 787144710 /nfs/dbraw/zinc/14/47/10/787144710.db2.gz NTYNQFAVTANSIN-JTQLQIEISA-N 1 0 327.385 -1.546 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376336 787144272 /nfs/dbraw/zinc/14/42/72/787144272.db2.gz NTYNQFAVTANSIN-SNVBAGLBSA-N 1 0 327.385 -1.546 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)cn1 ZINC001132376653 787144466 /nfs/dbraw/zinc/14/44/66/787144466.db2.gz QKVLXTIGGDXBNR-NEPJUHHUSA-N 1 0 334.380 -1.633 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)cn1 ZINC001132376654 787144557 /nfs/dbraw/zinc/14/45/57/787144557.db2.gz QKVLXTIGGDXBNR-NWDGAFQWSA-N 1 0 334.380 -1.633 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCNC3=O)C2=O)cn1 ZINC001132376655 787144404 /nfs/dbraw/zinc/14/44/04/787144404.db2.gz QKVLXTIGGDXBNR-RYUDHWBXSA-N 1 0 334.380 -1.633 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCNC3=O)C2=O)cn1 ZINC001132376656 787144753 /nfs/dbraw/zinc/14/47/53/787144753.db2.gz QKVLXTIGGDXBNR-VXGBXAGGSA-N 1 0 334.380 -1.633 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132377097 787144881 /nfs/dbraw/zinc/14/48/81/787144881.db2.gz SUKXXZHFFGXWQO-JTQLQIEISA-N 1 0 327.385 -1.690 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132377098 787144833 /nfs/dbraw/zinc/14/48/33/787144833.db2.gz SUKXXZHFFGXWQO-SNVBAGLBSA-N 1 0 327.385 -1.690 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)c1nccs1 ZINC001132377121 787144096 /nfs/dbraw/zinc/14/40/96/787144096.db2.gz UCMGFOGIBBKURZ-SECBINFHSA-N 1 0 325.394 -1.052 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O)c1nccs1 ZINC001132377122 787144791 /nfs/dbraw/zinc/14/47/91/787144791.db2.gz UCMGFOGIBBKURZ-VIFPVBQESA-N 1 0 325.394 -1.052 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(=O)NC1CC1 ZINC001132377125 787144256 /nfs/dbraw/zinc/14/42/56/787144256.db2.gz UDLBFHJYQBUNAI-PSASIEDQSA-N 1 0 325.369 -1.795 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCNC1=O)C(=O)NC(=O)NC1CC1 ZINC001132377126 787144421 /nfs/dbraw/zinc/14/44/21/787144421.db2.gz UDLBFHJYQBUNAI-SCZZXKLOSA-N 1 0 325.369 -1.795 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(=O)NC1CC1 ZINC001132377127 787144510 /nfs/dbraw/zinc/14/45/10/787144510.db2.gz UDLBFHJYQBUNAI-WCBMZHEXSA-N 1 0 325.369 -1.795 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCNC1=O)C(=O)NC(=O)NC1CC1 ZINC001132377128 787144416 /nfs/dbraw/zinc/14/44/16/787144416.db2.gz UDLBFHJYQBUNAI-WPRPVWTQSA-N 1 0 325.369 -1.795 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCc1ccco1)[C@H]1CCNC1=O ZINC001132377129 787144825 /nfs/dbraw/zinc/14/48/25/787144825.db2.gz UDNRDYRWTZUCDS-AAEUAGOBSA-N 1 0 325.365 -1.001 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCc1ccco1)[C@@H]1CCNC1=O ZINC001132377130 787144159 /nfs/dbraw/zinc/14/41/59/787144159.db2.gz UDNRDYRWTZUCDS-DGCLKSJQSA-N 1 0 325.365 -1.001 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCc1ccco1)[C@@H]1CCNC1=O ZINC001132377131 787144366 /nfs/dbraw/zinc/14/43/66/787144366.db2.gz UDNRDYRWTZUCDS-WCQYABFASA-N 1 0 325.365 -1.001 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCc1ccco1)[C@H]1CCNC1=O ZINC001132377132 787144524 /nfs/dbraw/zinc/14/45/24/787144524.db2.gz UDNRDYRWTZUCDS-YPMHNXCESA-N 1 0 325.365 -1.001 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCNC1=O ZINC001132377145 787144288 /nfs/dbraw/zinc/14/42/88/787144288.db2.gz UNAGPIJKFFTFFY-BDAKNGLRSA-N 1 0 336.314 -1.009 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCNC1=O ZINC001132377146 787144326 /nfs/dbraw/zinc/14/43/26/787144326.db2.gz UNAGPIJKFFTFFY-DTWKUNHWSA-N 1 0 336.314 -1.009 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCNC1=O ZINC001132377147 787144228 /nfs/dbraw/zinc/14/42/28/787144228.db2.gz UNAGPIJKFFTFFY-IUCAKERBSA-N 1 0 336.314 -1.009 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCNC1=O ZINC001132377148 787144216 /nfs/dbraw/zinc/14/42/16/787144216.db2.gz UNAGPIJKFFTFFY-RKDXNWHRSA-N 1 0 336.314 -1.009 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132377350 787144596 /nfs/dbraw/zinc/14/45/96/787144596.db2.gz VLVPDCJPQULTJD-NEPJUHHUSA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132377352 787144022 /nfs/dbraw/zinc/14/40/22/787144022.db2.gz VLVPDCJPQULTJD-NWDGAFQWSA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132377354 787144621 /nfs/dbraw/zinc/14/46/21/787144621.db2.gz VLVPDCJPQULTJD-RYUDHWBXSA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132377356 787144913 /nfs/dbraw/zinc/14/49/13/787144913.db2.gz VLVPDCJPQULTJD-VXGBXAGGSA-N 1 0 328.413 -1.240 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132377445 787144226 /nfs/dbraw/zinc/14/42/26/787144226.db2.gz WXHCZMWQUHBDNT-GFCCVEGCSA-N 1 0 336.396 -1.780 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132377448 787144772 /nfs/dbraw/zinc/14/47/72/787144772.db2.gz WXHCZMWQUHBDNT-LBPRGKRZSA-N 1 0 336.396 -1.780 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132377669 787144218 /nfs/dbraw/zinc/14/42/18/787144218.db2.gz ZEDOBVJAXPSESK-LLVKDONJSA-N 1 0 341.412 -2.187 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132377673 787144115 /nfs/dbraw/zinc/14/41/15/787144115.db2.gz ZEDOBVJAXPSESK-NSHDSACASA-N 1 0 341.412 -2.187 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132377705 787144667 /nfs/dbraw/zinc/14/46/67/787144667.db2.gz ZGWQNSBAXIQQPM-LLVKDONJSA-N 1 0 336.396 -1.183 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132377708 787144201 /nfs/dbraw/zinc/14/42/01/787144201.db2.gz ZGWQNSBAXIQQPM-NSHDSACASA-N 1 0 336.396 -1.183 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)NCC(=O)N1CCCC1 ZINC001132379317 787144045 /nfs/dbraw/zinc/14/40/45/787144045.db2.gz BZGJCXPCEDRNHQ-LLVKDONJSA-N 1 0 339.396 -2.433 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCNC1=O)NCC(=O)N1CCCC1 ZINC001132379318 787144301 /nfs/dbraw/zinc/14/43/01/787144301.db2.gz BZGJCXPCEDRNHQ-NSHDSACASA-N 1 0 339.396 -2.433 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3c[nH]c(=O)n3C)C2=O)n1 ZINC001132379335 787143949 /nfs/dbraw/zinc/14/39/49/787143949.db2.gz DALFPELJLPKHJJ-JTQLQIEISA-N 1 0 347.379 -1.016 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3c[nH]c(=O)n3C)C2=O)n1 ZINC001132379336 787143978 /nfs/dbraw/zinc/14/39/78/787143978.db2.gz DALFPELJLPKHJJ-SNVBAGLBSA-N 1 0 347.379 -1.016 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)c[nH]c1=O ZINC001132379436 787144230 /nfs/dbraw/zinc/14/42/30/787144230.db2.gz ITBQLWGZTAWCJX-UHFFFAOYSA-N 1 0 325.369 -1.260 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001132379464 787144210 /nfs/dbraw/zinc/14/42/10/787144210.db2.gz JTLAZMKPNOVWMT-SECBINFHSA-N 1 0 339.352 -2.045 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001132379465 787144222 /nfs/dbraw/zinc/14/42/22/787144222.db2.gz JTLAZMKPNOVWMT-VIFPVBQESA-N 1 0 339.352 -2.045 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001132379482 787144528 /nfs/dbraw/zinc/14/45/28/787144528.db2.gz KVMVYPWIMKHWFN-NXEZZACHSA-N 1 0 327.385 -2.579 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O)C(=O)N(C)C ZINC001132379483 787143808 /nfs/dbraw/zinc/14/38/08/787143808.db2.gz KVMVYPWIMKHWFN-UWVGGRQHSA-N 1 0 327.385 -2.579 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001132379484 787144126 /nfs/dbraw/zinc/14/41/26/787144126.db2.gz KVMVYPWIMKHWFN-VHSXEESVSA-N 1 0 327.385 -2.579 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O)C(=O)N(C)C ZINC001132379485 787144637 /nfs/dbraw/zinc/14/46/37/787144637.db2.gz KVMVYPWIMKHWFN-ZJUUUORDSA-N 1 0 327.385 -2.579 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132379678 787144654 /nfs/dbraw/zinc/14/46/54/787144654.db2.gz SRQVHYNVJFHPJH-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132379679 787144875 /nfs/dbraw/zinc/14/48/75/787144875.db2.gz SRQVHYNVJFHPJH-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132379696 787144214 /nfs/dbraw/zinc/14/42/14/787144214.db2.gz ULUYMRNREGZBCY-SECBINFHSA-N 1 0 325.369 -1.841 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132379697 787143892 /nfs/dbraw/zinc/14/38/92/787143892.db2.gz ULUYMRNREGZBCY-VIFPVBQESA-N 1 0 325.369 -1.841 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132379736 787144262 /nfs/dbraw/zinc/14/42/62/787144262.db2.gz VXHGZRVOOGPDGL-MRVPVSSYSA-N 1 0 326.357 -1.321 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132379737 787144808 /nfs/dbraw/zinc/14/48/08/787144808.db2.gz VXHGZRVOOGPDGL-QMMMGPOBSA-N 1 0 326.357 -1.321 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3c[nH]c(=O)n3C)C2=O)cn1 ZINC001132379765 787144247 /nfs/dbraw/zinc/14/42/47/787144247.db2.gz WSVBVEIFGFMOMB-LLVKDONJSA-N 1 0 347.379 -1.016 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3c[nH]c(=O)n3C)C2=O)cn1 ZINC001132379766 787144236 /nfs/dbraw/zinc/14/42/36/787144236.db2.gz WSVBVEIFGFMOMB-NSHDSACASA-N 1 0 347.379 -1.016 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132379816 787144105 /nfs/dbraw/zinc/14/41/05/787144105.db2.gz ZGHJPKDOKJKMPI-NXEZZACHSA-N 1 0 343.384 -2.311 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132379817 787145489 /nfs/dbraw/zinc/14/54/89/787145489.db2.gz ZGHJPKDOKJKMPI-UWVGGRQHSA-N 1 0 343.384 -2.311 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132379818 787145617 /nfs/dbraw/zinc/14/56/17/787145617.db2.gz ZGHJPKDOKJKMPI-VHSXEESVSA-N 1 0 343.384 -2.311 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132379819 787146668 /nfs/dbraw/zinc/14/66/68/787146668.db2.gz ZGHJPKDOKJKMPI-ZJUUUORDSA-N 1 0 343.384 -2.311 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)NC1=O ZINC001132382009 787146601 /nfs/dbraw/zinc/14/66/01/787146601.db2.gz ANYMFHSRUKCTAX-GFCCVEGCSA-N 1 0 334.380 -1.573 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)NC1=O ZINC001132382010 787146540 /nfs/dbraw/zinc/14/65/40/787146540.db2.gz ANYMFHSRUKCTAX-LBPRGKRZSA-N 1 0 334.380 -1.573 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C)C(=O)N(C)C ZINC001132382203 787146057 /nfs/dbraw/zinc/14/60/57/787146057.db2.gz DUJLOVDLCQKKOU-SECBINFHSA-N 1 0 340.384 -1.962 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C)C(=O)N(C)C ZINC001132382204 787146414 /nfs/dbraw/zinc/14/64/14/787146414.db2.gz DUJLOVDLCQKKOU-VIFPVBQESA-N 1 0 340.384 -1.962 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)NC1=O ZINC001132382267 787146200 /nfs/dbraw/zinc/14/62/00/787146200.db2.gz GXVSBHDHZSZHMP-SSDOTTSWSA-N 1 0 325.291 -1.606 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)NC1=O ZINC001132382268 787145663 /nfs/dbraw/zinc/14/56/63/787145663.db2.gz GXVSBHDHZSZHMP-ZETCQYMHSA-N 1 0 325.291 -1.606 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1c[nH]c(=O)n1C)C(=O)NC(=O)NC1CC1 ZINC001132382314 787146022 /nfs/dbraw/zinc/14/60/22/787146022.db2.gz IDFZRWPZEWQHPU-MRVPVSSYSA-N 1 0 338.368 -1.178 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1c[nH]c(=O)n1C)C(=O)NC(=O)NC1CC1 ZINC001132382315 787145778 /nfs/dbraw/zinc/14/57/78/787145778.db2.gz IDFZRWPZEWQHPU-QMMMGPOBSA-N 1 0 338.368 -1.178 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)c[nH]c1=O ZINC001132382322 787145835 /nfs/dbraw/zinc/14/58/35/787145835.db2.gz IFEAKJCELCNOCW-UHFFFAOYSA-N 1 0 338.368 -1.225 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c[nH]c1=O ZINC001132382562 787146070 /nfs/dbraw/zinc/14/60/70/787146070.db2.gz NKZGSDACQAGBRF-UHFFFAOYSA-N 1 0 336.352 -1.957 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)c[nH]c1=O ZINC001132382563 787146339 /nfs/dbraw/zinc/14/63/39/787146339.db2.gz NKZVNSCEFCOROK-JTQLQIEISA-N 1 0 325.369 -1.402 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)c[nH]c1=O ZINC001132382564 787145824 /nfs/dbraw/zinc/14/58/24/787145824.db2.gz NKZVNSCEFCOROK-SNVBAGLBSA-N 1 0 325.369 -1.402 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001132382578 787146655 /nfs/dbraw/zinc/14/66/55/787146655.db2.gz NWOBSBWFFVXTEC-GFCCVEGCSA-N 1 0 325.413 -1.026 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001132382580 787146686 /nfs/dbraw/zinc/14/66/86/787146686.db2.gz NWOBSBWFFVXTEC-LBPRGKRZSA-N 1 0 325.413 -1.026 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132382767 787146647 /nfs/dbraw/zinc/14/66/47/787146647.db2.gz QTJBOROQWBPZST-JTQLQIEISA-N 1 0 327.385 -1.014 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132382768 787146554 /nfs/dbraw/zinc/14/65/54/787146554.db2.gz QTJBOROQWBPZST-SNVBAGLBSA-N 1 0 327.385 -1.014 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382807 787146104 /nfs/dbraw/zinc/14/61/04/787146104.db2.gz RPDDFWDWJRIZCH-BDAKNGLRSA-N 1 0 328.373 -2.050 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382808 787145561 /nfs/dbraw/zinc/14/55/61/787145561.db2.gz RPDDFWDWJRIZCH-DTWKUNHWSA-N 1 0 328.373 -2.050 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382809 787145358 /nfs/dbraw/zinc/14/53/58/787145358.db2.gz RPDDFWDWJRIZCH-IUCAKERBSA-N 1 0 328.373 -2.050 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382810 787146265 /nfs/dbraw/zinc/14/62/65/787146265.db2.gz RPDDFWDWJRIZCH-RKDXNWHRSA-N 1 0 328.373 -2.050 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382869 787146506 /nfs/dbraw/zinc/14/65/06/787146506.db2.gz UNSLKQXYFFHKCS-SECBINFHSA-N 1 0 328.373 -2.048 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382870 787146451 /nfs/dbraw/zinc/14/64/51/787146451.db2.gz UNSLKQXYFFHKCS-VIFPVBQESA-N 1 0 328.373 -2.048 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nccs2)NC1=O ZINC001132383063 787145293 /nfs/dbraw/zinc/14/52/93/787145293.db2.gz WPXKFBDZNBCDJN-MRVPVSSYSA-N 1 0 326.382 -1.189 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nccs2)NC1=O ZINC001132383064 787146493 /nfs/dbraw/zinc/14/64/93/787146493.db2.gz WPXKFBDZNBCDJN-QMMMGPOBSA-N 1 0 326.382 -1.189 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)NC1=O ZINC001132383074 787145321 /nfs/dbraw/zinc/14/53/21/787145321.db2.gz XCTBQPCVRQTPQM-LLVKDONJSA-N 1 0 327.385 -1.989 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)NC1=O ZINC001132383075 787145695 /nfs/dbraw/zinc/14/56/95/787145695.db2.gz XCTBQPCVRQTPQM-NSHDSACASA-N 1 0 327.385 -1.989 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CN(C)C(=O)N3)C2=O)cn1 ZINC001132385873 787141646 /nfs/dbraw/zinc/14/16/46/787141646.db2.gz AWYQFJBFISPCHB-NEPJUHHUSA-N 1 0 349.395 -1.745 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CN(C)C(=O)N3)C2=O)cn1 ZINC001132385874 787141375 /nfs/dbraw/zinc/14/13/75/787141375.db2.gz AWYQFJBFISPCHB-NWDGAFQWSA-N 1 0 349.395 -1.745 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CN(C)C(=O)N3)C2=O)cn1 ZINC001132385875 787140889 /nfs/dbraw/zinc/14/08/89/787140889.db2.gz AWYQFJBFISPCHB-RYUDHWBXSA-N 1 0 349.395 -1.745 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CN(C)C(=O)N3)C2=O)cn1 ZINC001132385876 787141076 /nfs/dbraw/zinc/14/10/76/787141076.db2.gz AWYQFJBFISPCHB-VXGBXAGGSA-N 1 0 349.395 -1.745 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1)c1nccs1 ZINC001132385879 787141893 /nfs/dbraw/zinc/14/18/93/787141893.db2.gz AZXAOIXQKVKZDH-SECBINFHSA-N 1 0 340.409 -1.165 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1nccs1 ZINC001132385880 787142054 /nfs/dbraw/zinc/14/20/54/787142054.db2.gz AZXAOIXQKVKZDH-VIFPVBQESA-N 1 0 340.409 -1.165 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)NC1=O ZINC001132385937 787141036 /nfs/dbraw/zinc/14/10/36/787141036.db2.gz CERFOIIVCIOSHK-SECBINFHSA-N 1 0 326.357 -2.342 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)NC1=O ZINC001132385938 787141730 /nfs/dbraw/zinc/14/17/30/787141730.db2.gz CERFOIIVCIOSHK-VIFPVBQESA-N 1 0 326.357 -2.342 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)NC1=O ZINC001132385941 787143096 /nfs/dbraw/zinc/14/30/96/787143096.db2.gz CGNHILLBWVUMJU-QWRGUYRKSA-N 1 0 327.385 -2.301 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)NC1=O ZINC001132385942 787142838 /nfs/dbraw/zinc/14/28/38/787142838.db2.gz CGNHILLBWVUMJU-WDEREUQCSA-N 1 0 327.385 -2.301 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)NC1=O ZINC001132386323 787142429 /nfs/dbraw/zinc/14/24/29/787142429.db2.gz HCNYXXVUVGPMDY-NXEZZACHSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)NC1=O ZINC001132386324 787143107 /nfs/dbraw/zinc/14/31/07/787143107.db2.gz HCNYXXVUVGPMDY-UWVGGRQHSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)NC1=O ZINC001132386325 787142645 /nfs/dbraw/zinc/14/26/45/787142645.db2.gz HCNYXXVUVGPMDY-VHSXEESVSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)NC1=O ZINC001132386326 787143127 /nfs/dbraw/zinc/14/31/27/787143127.db2.gz HCNYXXVUVGPMDY-ZJUUUORDSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)NC1=O ZINC001132386459 787143157 /nfs/dbraw/zinc/14/31/57/787143157.db2.gz HMXUPQYWLVAVFR-SSDOTTSWSA-N 1 0 327.370 -1.794 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)NC1=O ZINC001132386460 787143062 /nfs/dbraw/zinc/14/30/62/787143062.db2.gz HMXUPQYWLVAVFR-ZETCQYMHSA-N 1 0 327.370 -1.794 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC1=O ZINC001132386469 787143153 /nfs/dbraw/zinc/14/31/53/787143153.db2.gz HQHLADKXZZXSHN-SECBINFHSA-N 1 0 342.400 -1.660 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC1=O ZINC001132386470 787143226 /nfs/dbraw/zinc/14/32/26/787143226.db2.gz HQHLADKXZZXSHN-VIFPVBQESA-N 1 0 342.400 -1.660 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001132386475 787142554 /nfs/dbraw/zinc/14/25/54/787142554.db2.gz HWUQELNFEHAHPP-GHMZBOCLSA-N 1 0 327.385 -2.037 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001132386476 787143244 /nfs/dbraw/zinc/14/32/44/787143244.db2.gz HWUQELNFEHAHPP-MNOVXSKESA-N 1 0 327.385 -2.037 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001132386477 787142825 /nfs/dbraw/zinc/14/28/25/787142825.db2.gz HWUQELNFEHAHPP-QWRGUYRKSA-N 1 0 327.385 -2.037 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001132386478 787143177 /nfs/dbraw/zinc/14/31/77/787143177.db2.gz HWUQELNFEHAHPP-WDEREUQCSA-N 1 0 327.385 -2.037 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)NC1=O ZINC001132386531 787143140 /nfs/dbraw/zinc/14/31/40/787143140.db2.gz JLITXKLMFWVPTI-GHMZBOCLSA-N 1 0 332.426 -1.459 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)NC1=O ZINC001132386532 787143200 /nfs/dbraw/zinc/14/32/00/787143200.db2.gz JLITXKLMFWVPTI-MNOVXSKESA-N 1 0 332.426 -1.459 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)NC1=O ZINC001132386533 787143255 /nfs/dbraw/zinc/14/32/55/787143255.db2.gz JLITXKLMFWVPTI-QWRGUYRKSA-N 1 0 332.426 -1.459 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)NC1=O ZINC001132386534 787142886 /nfs/dbraw/zinc/14/28/86/787142886.db2.gz JLITXKLMFWVPTI-WDEREUQCSA-N 1 0 332.426 -1.459 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CCc2nnn(C(C)(C)C)n2)NC1=O ZINC001132386535 787142908 /nfs/dbraw/zinc/14/29/08/787142908.db2.gz JNBLHHGPIJKCBR-JTQLQIEISA-N 1 0 338.416 -1.300 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CCc2nnn(C(C)(C)C)n2)NC1=O ZINC001132386536 787143263 /nfs/dbraw/zinc/14/32/63/787143263.db2.gz JNBLHHGPIJKCBR-SNVBAGLBSA-N 1 0 338.416 -1.300 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386551 787143086 /nfs/dbraw/zinc/14/30/86/787143086.db2.gz KAQUIVVXKGFNPJ-JTQLQIEISA-N 1 0 335.430 -1.955 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386552 787143146 /nfs/dbraw/zinc/14/31/46/787143146.db2.gz KAQUIVVXKGFNPJ-SNVBAGLBSA-N 1 0 335.430 -1.955 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)NC1=O ZINC001132386769 787143123 /nfs/dbraw/zinc/14/31/23/787143123.db2.gz KMMXJNDNBFKTPT-SECBINFHSA-N 1 0 326.357 -2.296 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)NC1=O ZINC001132386770 787142951 /nfs/dbraw/zinc/14/29/51/787142951.db2.gz KMMXJNDNBFKTPT-VIFPVBQESA-N 1 0 326.357 -2.296 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)Nc1ncccn1 ZINC001132386977 787143315 /nfs/dbraw/zinc/14/33/15/787143315.db2.gz NMDUNAPTXXZFFL-NXEZZACHSA-N 1 0 335.368 -1.467 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)Nc1ncccn1 ZINC001132386978 787142389 /nfs/dbraw/zinc/14/23/89/787142389.db2.gz NMDUNAPTXXZFFL-UWVGGRQHSA-N 1 0 335.368 -1.467 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)Nc1ncccn1 ZINC001132386979 787143072 /nfs/dbraw/zinc/14/30/72/787143072.db2.gz NMDUNAPTXXZFFL-VHSXEESVSA-N 1 0 335.368 -1.467 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)Nc1ncccn1 ZINC001132386980 787143115 /nfs/dbraw/zinc/14/31/15/787143115.db2.gz NMDUNAPTXXZFFL-ZJUUUORDSA-N 1 0 335.368 -1.467 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387017 787143304 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CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)NC1=O ZINC001132387198 787143087 /nfs/dbraw/zinc/14/30/87/787143087.db2.gz PZHHYKXEJVGSOT-QWRGUYRKSA-N 1 0 327.385 -1.989 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)NC1=O ZINC001132387199 787143036 /nfs/dbraw/zinc/14/30/36/787143036.db2.gz PZHHYKXEJVGSOT-WDEREUQCSA-N 1 0 327.385 -1.989 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)NC1=O ZINC001132387221 787143057 /nfs/dbraw/zinc/14/30/57/787143057.db2.gz QFEMSQUJYKJVTC-JTQLQIEISA-N 1 0 332.426 -1.459 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)NC1=O ZINC001132387223 787143143 /nfs/dbraw/zinc/14/31/43/787143143.db2.gz QFEMSQUJYKJVTC-SNVBAGLBSA-N 1 0 332.426 -1.459 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)NC1=O ZINC001132387283 787142783 /nfs/dbraw/zinc/14/27/83/787142783.db2.gz QRVHVZYWEWVDKS-GHMZBOCLSA-N 1 0 347.441 -2.003 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)NC1=O ZINC001132387285 787143259 /nfs/dbraw/zinc/14/32/59/787143259.db2.gz QRVHVZYWEWVDKS-MNOVXSKESA-N 1 0 347.441 -2.003 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)NC1=O ZINC001132387286 787142678 /nfs/dbraw/zinc/14/26/78/787142678.db2.gz QRVHVZYWEWVDKS-QWRGUYRKSA-N 1 0 347.441 -2.003 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)NC1=O ZINC001132387287 787143093 /nfs/dbraw/zinc/14/30/93/787143093.db2.gz QRVHVZYWEWVDKS-WDEREUQCSA-N 1 0 347.441 -2.003 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387400 787143027 /nfs/dbraw/zinc/14/30/27/787143027.db2.gz RNKMAZMLQOSKDV-JTQLQIEISA-N 1 0 342.400 -1.802 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387401 787143194 /nfs/dbraw/zinc/14/31/94/787143194.db2.gz RNKMAZMLQOSKDV-SNVBAGLBSA-N 1 0 342.400 -1.802 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387480 787142846 /nfs/dbraw/zinc/14/28/46/787142846.db2.gz UCWCAXCFFQKVKK-JTQLQIEISA-N 1 0 327.410 -1.052 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387481 787143309 /nfs/dbraw/zinc/14/33/09/787143309.db2.gz UCWCAXCFFQKVKK-SNVBAGLBSA-N 1 0 327.410 -1.052 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)NC1=O ZINC001132387482 787142411 /nfs/dbraw/zinc/14/24/11/787142411.db2.gz UDRBPIATWJZHGX-JTQLQIEISA-N 1 0 333.414 -2.249 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)NC1=O ZINC001132387483 787142598 /nfs/dbraw/zinc/14/25/98/787142598.db2.gz UDRBPIATWJZHGX-SNVBAGLBSA-N 1 0 333.414 -2.249 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)NC1=O ZINC001132387492 787142964 /nfs/dbraw/zinc/14/29/64/787142964.db2.gz UHYQQTBCKLWNRK-SECBINFHSA-N 1 0 326.357 -3.326 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)NC1=O ZINC001132387493 787142793 /nfs/dbraw/zinc/14/27/93/787142793.db2.gz UHYQQTBCKLWNRK-VIFPVBQESA-N 1 0 326.357 -3.326 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)NC1=O ZINC001132387516 787143150 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Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)s1 ZINC001132387626 787142896 /nfs/dbraw/zinc/14/28/96/787142896.db2.gz WVBKSJWVNNXSJD-MRVPVSSYSA-N 1 0 341.397 -1.486 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)s1 ZINC001132387627 787142367 /nfs/dbraw/zinc/14/23/67/787142367.db2.gz WVBKSJWVNNXSJD-QMMMGPOBSA-N 1 0 341.397 -1.486 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F)NC1=O ZINC001132387646 787143248 /nfs/dbraw/zinc/14/32/48/787143248.db2.gz XECTUUSGLDKUCI-MRVPVSSYSA-N 1 0 339.318 -1.216 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F)NC1=O ZINC001132387647 787142916 /nfs/dbraw/zinc/14/29/16/787142916.db2.gz XECTUUSGLDKUCI-QMMMGPOBSA-N 1 0 339.318 -1.216 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)NC1=O ZINC001132387700 787143160 /nfs/dbraw/zinc/14/31/60/787143160.db2.gz YBIQANJQKZNXQU-GHMZBOCLSA-N 1 0 332.426 -1.459 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)NC1=O ZINC001132387701 787143167 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20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001132387711 787143101 /nfs/dbraw/zinc/14/31/01/787143101.db2.gz YJLMQHLEJKIALQ-VXGBXAGGSA-N 1 0 325.413 -1.026 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132391284 787147753 /nfs/dbraw/zinc/14/77/53/787147753.db2.gz GVAIHMKXBUVAGM-MRVPVSSYSA-N 1 0 339.318 -1.264 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132391285 787148120 /nfs/dbraw/zinc/14/81/20/787148120.db2.gz GVAIHMKXBUVAGM-QMMMGPOBSA-N 1 0 339.318 -1.264 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CN(C)C(=O)N3)C2=O)n1 ZINC001132391302 787148232 /nfs/dbraw/zinc/14/82/32/787148232.db2.gz HKMMWLUQOVKZPN-GHMZBOCLSA-N 1 0 349.395 -1.745 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CN(C)C(=O)N3)C2=O)n1 ZINC001132391303 787148240 /nfs/dbraw/zinc/14/82/40/787148240.db2.gz HKMMWLUQOVKZPN-MNOVXSKESA-N 1 0 349.395 -1.745 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CN(C)C(=O)N3)C2=O)n1 ZINC001132391304 787147134 /nfs/dbraw/zinc/14/71/34/787147134.db2.gz HKMMWLUQOVKZPN-QWRGUYRKSA-N 1 0 349.395 -1.745 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CN(C)C(=O)N3)C2=O)n1 ZINC001132391305 787147998 /nfs/dbraw/zinc/14/79/98/787147998.db2.gz HKMMWLUQOVKZPN-WDEREUQCSA-N 1 0 349.395 -1.745 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)NC1=O ZINC001132391872 787145921 /nfs/dbraw/zinc/14/59/21/787145921.db2.gz QXNQLDPWYRGBNR-GHMZBOCLSA-N 1 0 327.385 -2.132 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)NC1=O ZINC001132391873 787145948 /nfs/dbraw/zinc/14/59/48/787145948.db2.gz QXNQLDPWYRGBNR-MNOVXSKESA-N 1 0 327.385 -2.132 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)NC1=O ZINC001132391874 787145978 /nfs/dbraw/zinc/14/59/78/787145978.db2.gz QXNQLDPWYRGBNR-QWRGUYRKSA-N 1 0 327.385 -2.132 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)NC1=O ZINC001132391875 787145418 /nfs/dbraw/zinc/14/54/18/787145418.db2.gz QXNQLDPWYRGBNR-WDEREUQCSA-N 1 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CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132401642 787146091 /nfs/dbraw/zinc/14/60/91/787146091.db2.gz BWYAZUMNIGNFLK-NWDGAFQWSA-N 1 0 343.428 -1.353 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132401644 787145349 /nfs/dbraw/zinc/14/53/49/787145349.db2.gz BWYAZUMNIGNFLK-RYUDHWBXSA-N 1 0 343.428 -1.353 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132401646 787146277 /nfs/dbraw/zinc/14/62/77/787146277.db2.gz BWYAZUMNIGNFLK-VXGBXAGGSA-N 1 0 343.428 -1.353 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132401656 787145640 /nfs/dbraw/zinc/14/56/40/787145640.db2.gz CCYRODYJDDSPNV-LLVKDONJSA-N 1 0 334.442 -1.071 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132401657 787146376 /nfs/dbraw/zinc/14/63/76/787146376.db2.gz CCYRODYJDDSPNV-NSHDSACASA-N 1 0 334.442 -1.071 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132401659 787146327 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ZINC001132402535 787147763 /nfs/dbraw/zinc/14/77/63/787147763.db2.gz SQFNEDJLMHDZKZ-JTQLQIEISA-N 1 0 338.368 -2.687 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)NC1=O ZINC001132402536 787148463 /nfs/dbraw/zinc/14/84/63/787148463.db2.gz SQFNEDJLMHDZKZ-SNVBAGLBSA-N 1 0 338.368 -2.687 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402541 787147634 /nfs/dbraw/zinc/14/76/34/787147634.db2.gz SXTWLTPDDPMPSY-JTQLQIEISA-N 1 0 342.400 -1.658 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402542 787148572 /nfs/dbraw/zinc/14/85/72/787148572.db2.gz SXTWLTPDDPMPSY-SNVBAGLBSA-N 1 0 342.400 -1.658 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402742 787147864 /nfs/dbraw/zinc/14/78/64/787147864.db2.gz XMFOTYAUDUVAIR-GHMZBOCLSA-N 1 0 329.401 -1.743 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402743 787147445 /nfs/dbraw/zinc/14/74/45/787147445.db2.gz XMFOTYAUDUVAIR-MNOVXSKESA-N 1 0 329.401 -1.743 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402744 787148264 /nfs/dbraw/zinc/14/82/64/787148264.db2.gz XMFOTYAUDUVAIR-QWRGUYRKSA-N 1 0 329.401 -1.743 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402745 787148177 /nfs/dbraw/zinc/14/81/77/787148177.db2.gz XMFOTYAUDUVAIR-WDEREUQCSA-N 1 0 329.401 -1.743 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)NC1=O ZINC001132402760 787147689 /nfs/dbraw/zinc/14/76/89/787147689.db2.gz XXOHSXJJOSRGMW-AAEUAGOBSA-N 1 0 340.380 -1.114 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)NC1=O ZINC001132402761 787148172 /nfs/dbraw/zinc/14/81/72/787148172.db2.gz XXOHSXJJOSRGMW-DGCLKSJQSA-N 1 0 340.380 -1.114 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)NC1=O ZINC001132402762 787147088 /nfs/dbraw/zinc/14/70/88/787147088.db2.gz XXOHSXJJOSRGMW-WCQYABFASA-N 1 0 340.380 -1.114 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)NC1=O ZINC001132402763 787147160 /nfs/dbraw/zinc/14/71/60/787147160.db2.gz XXOHSXJJOSRGMW-YPMHNXCESA-N 1 0 340.380 -1.114 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132402884 787147695 /nfs/dbraw/zinc/14/76/95/787147695.db2.gz ZRJCZWAOGKDLQI-NXEZZACHSA-N 1 0 342.400 -2.691 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132402887 787147955 /nfs/dbraw/zinc/14/79/55/787147955.db2.gz ZRJCZWAOGKDLQI-UWVGGRQHSA-N 1 0 342.400 -2.691 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132402889 787148005 /nfs/dbraw/zinc/14/80/05/787148005.db2.gz ZRJCZWAOGKDLQI-VHSXEESVSA-N 1 0 342.400 -2.691 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132402891 787147852 /nfs/dbraw/zinc/14/78/52/787147852.db2.gz ZRJCZWAOGKDLQI-ZJUUUORDSA-N 1 0 342.400 -2.691 20 0 EAADRO C[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001132415981 787147873 /nfs/dbraw/zinc/14/78/73/787147873.db2.gz AIRJCNHVUVHBPQ-GRYCIOLGSA-N 1 0 331.438 -1.101 20 0 EAADRO C[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001132415982 787147809 /nfs/dbraw/zinc/14/78/09/787147809.db2.gz AIRJCNHVUVHBPQ-IJLUTSLNSA-N 1 0 331.438 -1.101 20 0 EAADRO C[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001132424480 787148278 /nfs/dbraw/zinc/14/82/78/787148278.db2.gz PWRRICZKRJJGOM-GRYCIOLGSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001132424485 787148081 /nfs/dbraw/zinc/14/80/81/787148081.db2.gz PWRRICZKRJJGOM-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)CN1CC(=O)NC(N)=O ZINC001132425319 787148095 /nfs/dbraw/zinc/14/80/95/787148095.db2.gz HOSYQIMSQVBSLP-NEPJUHHUSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)CN1CC(=O)NC(N)=O ZINC001132425321 787148435 /nfs/dbraw/zinc/14/84/35/787148435.db2.gz HOSYQIMSQVBSLP-NWDGAFQWSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)CN1CC(=O)NC(N)=O ZINC001132425323 787148586 /nfs/dbraw/zinc/14/85/86/787148586.db2.gz HOSYQIMSQVBSLP-RYUDHWBXSA-N 1 0 343.428 -1.271 20 0 EAADRO C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)CN1CC(=O)NC(N)=O ZINC001132425325 787147534 /nfs/dbraw/zinc/14/75/34/787147534.db2.gz HOSYQIMSQVBSLP-VXGBXAGGSA-N 1 0 343.428 -1.271 20 0 EAADRO CC[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001132433201 787147894 /nfs/dbraw/zinc/14/78/94/787147894.db2.gz OFDGDXXMGXVNBO-GHMZBOCLSA-N 1 0 337.417 -1.009 20 0 EAADRO CC[C@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001132433202 787147920 /nfs/dbraw/zinc/14/79/20/787147920.db2.gz OFDGDXXMGXVNBO-MNOVXSKESA-N 1 0 337.417 -1.009 20 0 EAADRO CC[C@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001132433203 787148400 /nfs/dbraw/zinc/14/84/00/787148400.db2.gz OFDGDXXMGXVNBO-QWRGUYRKSA-N 1 0 337.417 -1.009 20 0 EAADRO CC[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001132433204 787148108 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C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CCOCCO ZINC001132463204 787149250 /nfs/dbraw/zinc/14/92/50/787149250.db2.gz CQRRGYXICPYHER-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001132490926 787150065 /nfs/dbraw/zinc/15/00/65/787150065.db2.gz AIRJCNHVUVHBPQ-SRVKXCTJSA-N 1 0 331.438 -1.101 20 0 EAADRO C[C@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001132490927 787149310 /nfs/dbraw/zinc/14/93/10/787149310.db2.gz AIRJCNHVUVHBPQ-TUAOUCFPSA-N 1 0 331.438 -1.101 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCOCCO)C1 ZINC001132493945 787149862 /nfs/dbraw/zinc/14/98/62/787149862.db2.gz OEDVNTYPVFQUHH-NEPJUHHUSA-N 1 0 337.442 -1.486 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCOCCO)C1 ZINC001132493946 787150346 /nfs/dbraw/zinc/15/03/46/787150346.db2.gz OEDVNTYPVFQUHH-NWDGAFQWSA-N 1 0 337.442 -1.486 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCOCCO)C1 ZINC001132493947 787150336 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787152306 /nfs/dbraw/zinc/15/23/06/787152306.db2.gz CNIDAKZZWWKHAM-QWRGUYRKSA-N 1 0 341.412 -1.064 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)NC(=O)NC1CC1 ZINC001132519610 787151641 /nfs/dbraw/zinc/15/16/41/787151641.db2.gz FEHWTVGDQBAQLH-KOLCDFICSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)NC(=O)NC1CC1 ZINC001132519611 787150998 /nfs/dbraw/zinc/15/09/98/787150998.db2.gz FEHWTVGDQBAQLH-ONGXEEELSA-N 1 0 339.396 -1.310 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001132519686 787151309 /nfs/dbraw/zinc/15/13/09/787151309.db2.gz IFYMBKLYXDAPIU-JTQLQIEISA-N 1 0 325.369 -1.699 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519688 787152112 /nfs/dbraw/zinc/15/21/12/787152112.db2.gz IKNJJEVVDZKZAC-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001132519698 787151345 /nfs/dbraw/zinc/15/13/45/787151345.db2.gz IPVKEGNNJKANFT-JTQLQIEISA-N 1 0 339.396 -1.357 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2C)n(C)n1 ZINC001132519760 787150815 /nfs/dbraw/zinc/15/08/15/787150815.db2.gz KWUSOGZVQPJUOH-NSHDSACASA-N 1 0 336.396 -1.006 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132519777 787151563 /nfs/dbraw/zinc/15/15/63/787151563.db2.gz LORGAIBWNHVKRX-JTQLQIEISA-N 1 0 325.369 -2.729 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519817 787152291 /nfs/dbraw/zinc/15/22/91/787152291.db2.gz NFGLPHMALOBSTJ-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519820 787151677 /nfs/dbraw/zinc/15/16/77/787151677.db2.gz NIVJXBLHYWNPSC-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519821 787152193 /nfs/dbraw/zinc/15/21/93/787152193.db2.gz NIVJXBLHYWNPSC-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001132519901 787152124 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EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)Nc2ccccc2C(N)=O)n1 ZINC001132523290 787154833 /nfs/dbraw/zinc/15/48/33/787154833.db2.gz AVHDGAJAVNCSIJ-UHFFFAOYSA-N 1 0 346.351 -1.733 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)n1 ZINC001132523340 787154700 /nfs/dbraw/zinc/15/47/00/787154700.db2.gz DPRXBPYBETWTOI-UHFFFAOYSA-N 1 0 338.372 -1.702 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C)n1 ZINC001132523389 787150869 /nfs/dbraw/zinc/15/08/69/787150869.db2.gz HCHKXTKJXZHDJZ-UHFFFAOYSA-N 1 0 340.388 -2.440 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)n1 ZINC001132523552 787151705 /nfs/dbraw/zinc/15/17/05/787151705.db2.gz NUKKEFFVAFYQFP-LLVKDONJSA-N 1 0 337.384 -1.833 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)n1 ZINC001132523553 787151862 /nfs/dbraw/zinc/15/18/62/787151862.db2.gz NUKKEFFVAFYQFP-NSHDSACASA-N 1 0 337.384 -1.833 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)c2nnn(C)n2)s1 ZINC001132523563 787151189 /nfs/dbraw/zinc/15/11/89/787151189.db2.gz OOZQXPHHGAVPGP-UHFFFAOYSA-N 1 0 325.358 -1.672 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCc2ccc(F)cc2)n1 ZINC001132523663 787151771 /nfs/dbraw/zinc/15/17/71/787151771.db2.gz SRQQWHGNLAJJSG-UHFFFAOYSA-N 1 0 335.343 -1.015 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NC(=O)Nc2ccccc2)n1 ZINC001132523668 787151731 /nfs/dbraw/zinc/15/17/31/787151731.db2.gz SVQLIURMSZRCGL-UHFFFAOYSA-N 1 0 346.351 -1.122 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CCn2cnc3ccccc3c2=O)n1 ZINC001132523704 787152055 /nfs/dbraw/zinc/15/20/55/787152055.db2.gz VLCRUSSIVOTWBK-UHFFFAOYSA-N 1 0 342.363 -1.060 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1nnn(C)n1)C(=O)NC(=O)NC(C)(C)C ZINC001132523751 787151842 /nfs/dbraw/zinc/15/18/42/787151842.db2.gz XRKQOJZCTVVMOO-MRVPVSSYSA-N 1 0 340.388 -1.458 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1nnn(C)n1)C(=O)NC(=O)NC(C)(C)C ZINC001132523752 787151606 /nfs/dbraw/zinc/15/16/06/787151606.db2.gz XRKQOJZCTVVMOO-QMMMGPOBSA-N 1 0 340.388 -1.458 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCCc2ccccc2)n1 ZINC001132526759 787151506 /nfs/dbraw/zinc/15/15/06/787151506.db2.gz BYJFHOMPMWYASA-UHFFFAOYSA-N 1 0 331.380 -1.112 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC001132526795 787151205 /nfs/dbraw/zinc/15/12/05/787151205.db2.gz DBIQUHWRHLTFFX-SSDOTTSWSA-N 1 0 335.290 -1.307 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC001132526796 787152203 /nfs/dbraw/zinc/15/22/03/787152203.db2.gz DBIQUHWRHLTFFX-ZETCQYMHSA-N 1 0 335.290 -1.307 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCCc2ccsc2)n1 ZINC001132526807 787151090 /nfs/dbraw/zinc/15/10/90/787151090.db2.gz DTGZAXDMGQFKFW-UHFFFAOYSA-N 1 0 337.409 -1.050 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCCOc2ccccc2)n1 ZINC001132526866 787152075 /nfs/dbraw/zinc/15/20/75/787152075.db2.gz GCYBUGXBEBRWTR-UHFFFAOYSA-N 1 0 347.379 -1.275 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)n1 ZINC001132526869 787153563 /nfs/dbraw/zinc/15/35/63/787153563.db2.gz GGTKPZLCFBKJRY-SSDOTTSWSA-N 1 0 326.279 -1.531 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)n1 ZINC001132526871 787153397 /nfs/dbraw/zinc/15/33/97/787153397.db2.gz GGTKPZLCFBKJRY-ZETCQYMHSA-N 1 0 326.279 -1.531 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001132526951 787153176 /nfs/dbraw/zinc/15/31/76/787153176.db2.gz ICRPFWUQUYJVJF-SECBINFHSA-N 1 0 331.402 -2.189 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001132526956 787153278 /nfs/dbraw/zinc/15/32/78/787153278.db2.gz ICRPFWUQUYJVJF-VIFPVBQESA-N 1 0 331.402 -2.189 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132526959 787153726 /nfs/dbraw/zinc/15/37/26/787153726.db2.gz IFIQYCUAXDAUTR-UHFFFAOYSA-N 1 0 349.417 -2.515 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CCN2C(=O)c3ccccc3C2=O)n1 ZINC001132527003 787153737 /nfs/dbraw/zinc/15/37/37/787153737.db2.gz JKFOIOZLTYWIMF-UHFFFAOYSA-N 1 0 343.347 -1.174 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)cn1 ZINC001132527027 787153794 /nfs/dbraw/zinc/15/37/94/787153794.db2.gz KFBRLKHFFXEMIK-JTQLQIEISA-N 1 0 333.356 -1.932 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)cn1 ZINC001132527050 787153607 /nfs/dbraw/zinc/15/36/07/787153607.db2.gz KFBRLKHFFXEMIK-SNVBAGLBSA-N 1 0 333.356 -1.932 20 0 EAADRO COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132527121 787153297 /nfs/dbraw/zinc/15/32/97/787153297.db2.gz MQAUBICLMHQTSK-UHFFFAOYSA-N 1 0 347.379 -1.146 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)n1 ZINC001132527124 787153321 /nfs/dbraw/zinc/15/33/21/787153321.db2.gz MRHVTXLRRZYTOF-UHFFFAOYSA-N 1 0 326.361 -1.846 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132527206 787153248 /nfs/dbraw/zinc/15/32/48/787153248.db2.gz PNVYRUGSJRTMAU-UHFFFAOYSA-N 1 0 326.361 -1.989 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)cn1 ZINC001132527239 787153573 /nfs/dbraw/zinc/15/35/73/787153573.db2.gz RNQIQJLCBSZVQA-LLVKDONJSA-N 1 0 347.383 -1.541 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)cn1 ZINC001132527240 787153652 /nfs/dbraw/zinc/15/36/52/787153652.db2.gz RNQIQJLCBSZVQA-NSHDSACASA-N 1 0 347.383 -1.541 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)n(C)n1 ZINC001132527241 787153550 /nfs/dbraw/zinc/15/35/50/787153550.db2.gz ROWJRQQQZMNITO-JTQLQIEISA-N 1 0 347.383 -1.623 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)n(C)n1 ZINC001132527242 787152699 /nfs/dbraw/zinc/15/26/99/787152699.db2.gz ROWJRQQQZMNITO-SNVBAGLBSA-N 1 0 347.383 -1.623 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCCc2cccs2)n1 ZINC001132527249 787153761 /nfs/dbraw/zinc/15/37/61/787153761.db2.gz RZJOMJJMWMKDCQ-UHFFFAOYSA-N 1 0 337.409 -1.050 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)n1 ZINC001132527264 787153285 /nfs/dbraw/zinc/15/32/85/787153285.db2.gz SPDGJDCCCLQWKD-UHFFFAOYSA-N 1 0 338.372 -2.747 20 0 EAADRO CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132527278 787153818 /nfs/dbraw/zinc/15/38/18/787153818.db2.gz TWWMBXQHLJYYBY-UHFFFAOYSA-N 1 0 335.372 -1.225 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)n1 ZINC001132527304 787152813 /nfs/dbraw/zinc/15/28/13/787152813.db2.gz UXVLDPKECCCXFX-JTQLQIEISA-N 1 0 328.373 -1.914 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)n1 ZINC001132527305 787153689 /nfs/dbraw/zinc/15/36/89/787153689.db2.gz UXVLDPKECCCXFX-SNVBAGLBSA-N 1 0 328.373 -1.914 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)n1 ZINC001132527310 787153093 /nfs/dbraw/zinc/15/30/93/787153093.db2.gz UZECIHBLINXSSK-JTQLQIEISA-N 1 0 347.383 -1.541 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)n1 ZINC001132527311 787153141 /nfs/dbraw/zinc/15/31/41/787153141.db2.gz UZECIHBLINXSSK-SNVBAGLBSA-N 1 0 347.383 -1.541 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132527345 787153883 /nfs/dbraw/zinc/15/38/83/787153883.db2.gz WOLBFULGTZXECF-UHFFFAOYSA-N 1 0 334.402 -2.019 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001132527362 787153070 /nfs/dbraw/zinc/15/30/70/787153070.db2.gz XIBYNZYMUOPAQJ-MRVPVSSYSA-N 1 0 325.329 -2.961 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001132527363 787153240 /nfs/dbraw/zinc/15/32/40/787153240.db2.gz XIBYNZYMUOPAQJ-QMMMGPOBSA-N 1 0 325.329 -2.961 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132527399 787153217 /nfs/dbraw/zinc/15/32/17/787153217.db2.gz YOWAIOVQVJQWCZ-UHFFFAOYSA-N 1 0 335.372 -2.078 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)n1 ZINC001132527425 787152795 /nfs/dbraw/zinc/15/27/95/787152795.db2.gz ZITIUUCJRDHWRN-SECBINFHSA-N 1 0 333.356 -1.932 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3nnn(C)n3)C2=O)n1 ZINC001132527426 787153874 /nfs/dbraw/zinc/15/38/74/787153874.db2.gz ZITIUUCJRDHWRN-VIFPVBQESA-N 1 0 333.356 -1.932 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC001132528066 787153056 /nfs/dbraw/zinc/15/30/56/787153056.db2.gz BNPKAFRVNOHSTA-SECBINFHSA-N 1 0 338.372 -2.747 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC001132528067 787153468 /nfs/dbraw/zinc/15/34/68/787153468.db2.gz BNPKAFRVNOHSTA-VIFPVBQESA-N 1 0 338.372 -2.747 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)n1 ZINC001132528082 787153911 /nfs/dbraw/zinc/15/39/11/787153911.db2.gz CAYRXOZPPXBWRK-GHMZBOCLSA-N 1 0 328.373 -1.914 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)n1 ZINC001132528083 787153647 /nfs/dbraw/zinc/15/36/47/787153647.db2.gz CAYRXOZPPXBWRK-MNOVXSKESA-N 1 0 328.373 -1.914 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)n1 ZINC001132528084 787153336 /nfs/dbraw/zinc/15/33/36/787153336.db2.gz CAYRXOZPPXBWRK-QWRGUYRKSA-N 1 0 328.373 -1.914 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)n1 ZINC001132528085 787153356 /nfs/dbraw/zinc/15/33/56/787153356.db2.gz CAYRXOZPPXBWRK-WDEREUQCSA-N 1 0 328.373 -1.914 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001132528091 787153156 /nfs/dbraw/zinc/15/31/56/787153156.db2.gz CMEVWAYKUFDRCE-RYUDHWBXSA-N 1 0 326.397 -1.704 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001132528119 787153385 /nfs/dbraw/zinc/15/33/85/787153385.db2.gz DGMFOMWAYVVIOL-QMMMGPOBSA-N 1 0 326.382 -1.197 20 0 EAADRO COc1cccc(CNC(=O)C[NH2+]CCNC(=O)c2nnn(C)n2)c1 ZINC001132528123 787152898 /nfs/dbraw/zinc/15/28/98/787152898.db2.gz DNHPRWFYDOCGTN-UHFFFAOYSA-N 1 0 347.379 -1.146 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001132528191 787152769 /nfs/dbraw/zinc/15/27/69/787152769.db2.gz HVGMGUGMSIJVIF-NSHDSACASA-N 1 0 332.426 -1.652 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528340 787153742 /nfs/dbraw/zinc/15/37/42/787153742.db2.gz KBMDFLSAXRCCQW-SECBINFHSA-N 1 0 349.399 -1.093 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528341 787152863 /nfs/dbraw/zinc/15/28/63/787152863.db2.gz KBMDFLSAXRCCQW-VIFPVBQESA-N 1 0 349.399 -1.093 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528367 787153628 /nfs/dbraw/zinc/15/36/28/787153628.db2.gz KWANVIWNMURZSO-UHFFFAOYSA-N 1 0 327.389 -1.539 20 0 EAADRO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)c2nnn(C)n2)cc1 ZINC001132528390 787153674 /nfs/dbraw/zinc/15/36/74/787153674.db2.gz LEMSOAFKHJZLKV-UHFFFAOYSA-N 1 0 347.379 -1.146 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCc2ccccc2F)n1 ZINC001132528520 787153781 /nfs/dbraw/zinc/15/37/81/787153781.db2.gz NROHWIOQGAGNEK-UHFFFAOYSA-N 1 0 335.343 -1.015 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001132528683 787153259 /nfs/dbraw/zinc/15/32/59/787153259.db2.gz RBRVALGSOJZQNU-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001132528685 787153404 /nfs/dbraw/zinc/15/34/04/787153404.db2.gz RBRVALGSOJZQNU-RYUDHWBXSA-N 1 0 346.453 -1.406 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528692 787152715 /nfs/dbraw/zinc/15/27/15/787152715.db2.gz RIMJAUGIFQPLFH-SECBINFHSA-N 1 0 340.388 -1.600 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528693 787153862 /nfs/dbraw/zinc/15/38/62/787153862.db2.gz RIMJAUGIFQPLFH-VIFPVBQESA-N 1 0 340.388 -1.600 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528707 787153411 /nfs/dbraw/zinc/15/34/11/787153411.db2.gz RZMFAMTYNKRMME-UHFFFAOYSA-N 1 0 335.372 -1.481 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528709 787152740 /nfs/dbraw/zinc/15/27/40/787152740.db2.gz RZYBJFWZTGIRGV-UHFFFAOYSA-N 1 0 340.388 -2.486 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1nnn(C)n1)C(=O)NC[C@H]1CCCO1 ZINC001132528841 787152629 /nfs/dbraw/zinc/15/26/29/787152629.db2.gz UBDDQHPMSKHDMO-NXEZZACHSA-N 1 0 325.373 -1.787 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1nnn(C)n1)C(=O)NC[C@@H]1CCCO1 ZINC001132528842 787153639 /nfs/dbraw/zinc/15/36/39/787153639.db2.gz UBDDQHPMSKHDMO-UWVGGRQHSA-N 1 0 325.373 -1.787 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1nnn(C)n1)C(=O)NC[C@H]1CCCO1 ZINC001132528843 787153597 /nfs/dbraw/zinc/15/35/97/787153597.db2.gz UBDDQHPMSKHDMO-VHSXEESVSA-N 1 0 325.373 -1.787 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1nnn(C)n1)C(=O)NC[C@@H]1CCCO1 ZINC001132528844 787153936 /nfs/dbraw/zinc/15/39/36/787153936.db2.gz UBDDQHPMSKHDMO-ZJUUUORDSA-N 1 0 325.373 -1.787 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528887 787153713 /nfs/dbraw/zinc/15/37/13/787153713.db2.gz VPLPXUKTSOAXOW-MRVPVSSYSA-N 1 0 326.361 -1.848 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528888 787153666 /nfs/dbraw/zinc/15/36/66/787153666.db2.gz VPLPXUKTSOAXOW-QMMMGPOBSA-N 1 0 326.361 -1.848 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132529025 787152730 /nfs/dbraw/zinc/15/27/30/787152730.db2.gz XAGRLNPDOBEPEZ-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2nnn(C)n2)C[C@H](C)O1 ZINC001132529028 787153484 /nfs/dbraw/zinc/15/34/84/787153484.db2.gz XBTUVAPXFLCJCG-AOOOYVTPSA-N 1 0 325.373 -1.835 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2nnn(C)n2)C[C@@H](C)O1 ZINC001132529029 787152756 /nfs/dbraw/zinc/15/27/56/787152756.db2.gz XBTUVAPXFLCJCG-NXEZZACHSA-N 1 0 325.373 -1.835 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2nnn(C)n2)C[C@H](C)O1 ZINC001132529030 787153849 /nfs/dbraw/zinc/15/38/49/787153849.db2.gz XBTUVAPXFLCJCG-UWVGGRQHSA-N 1 0 325.373 -1.835 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2nnn(C)n2)CC1 ZINC001132529080 787153919 /nfs/dbraw/zinc/15/39/19/787153919.db2.gz YVEHKMCGRKNQCJ-UHFFFAOYSA-N 1 0 338.372 -2.780 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132531371 787153618 /nfs/dbraw/zinc/15/36/18/787153618.db2.gz BAUPYARLVUHGDI-UHFFFAOYSA-N 1 0 326.361 -1.845 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132531376 787153360 /nfs/dbraw/zinc/15/33/60/787153360.db2.gz BFMLMLDYHSVPPC-JTQLQIEISA-N 1 0 325.369 -1.745 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001132531396 787153111 /nfs/dbraw/zinc/15/31/11/787153111.db2.gz BZOPTPURTNWSPJ-MNOVXSKESA-N 1 0 340.380 -2.177 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001132531397 787152915 /nfs/dbraw/zinc/15/29/15/787152915.db2.gz BZOPTPURTNWSPJ-QWRGUYRKSA-N 1 0 340.380 -2.177 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132531446 787153231 /nfs/dbraw/zinc/15/32/31/787153231.db2.gz DLPDOWDILPPQFB-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132531455 787153185 /nfs/dbraw/zinc/15/31/85/787153185.db2.gz DVZXCQNZYNZWTR-UHFFFAOYSA-N 1 0 341.416 -1.292 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132531511 787153281 /nfs/dbraw/zinc/15/32/81/787153281.db2.gz GUHZWJAJKZOXHG-JTQLQIEISA-N 1 0 327.389 -1.539 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132531512 787152659 /nfs/dbraw/zinc/15/26/59/787152659.db2.gz GUHZWJAJKZOXHG-SNVBAGLBSA-N 1 0 327.389 -1.539 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132531521 787153898 /nfs/dbraw/zinc/15/38/98/787153898.db2.gz GZMRWAJDXXAYDT-MRVPVSSYSA-N 1 0 342.360 -2.610 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132531522 787153373 /nfs/dbraw/zinc/15/33/73/787153373.db2.gz GZMRWAJDXXAYDT-QMMMGPOBSA-N 1 0 342.360 -2.610 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001132531543 787153272 /nfs/dbraw/zinc/15/32/72/787153272.db2.gz HRUXIBNLLAKUCJ-MRVPVSSYSA-N 1 0 326.361 -2.878 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001132531544 787153122 /nfs/dbraw/zinc/15/31/22/787153122.db2.gz HRUXIBNLLAKUCJ-QMMMGPOBSA-N 1 0 326.361 -2.878 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)n1 ZINC001132531582 787152782 /nfs/dbraw/zinc/15/27/82/787152782.db2.gz IVGKPKVWWVXHOG-UHFFFAOYSA-N 1 0 338.372 -2.732 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)n1 ZINC001132531734 787153754 /nfs/dbraw/zinc/15/37/54/787153754.db2.gz NYMLIJXVEASDCY-UHFFFAOYSA-N 1 0 338.372 -1.750 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCC(=O)N3C)C2=O)n1 ZINC001132531754 787153437 /nfs/dbraw/zinc/15/34/37/787153437.db2.gz OPTSLLWEDKZUSM-NEPJUHHUSA-N 1 0 348.407 -1.148 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCC(=O)N3C)C2=O)n1 ZINC001132531755 787153891 /nfs/dbraw/zinc/15/38/91/787153891.db2.gz OPTSLLWEDKZUSM-RYUDHWBXSA-N 1 0 348.407 -1.148 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001132531813 787153836 /nfs/dbraw/zinc/15/38/36/787153836.db2.gz QWHROFJOOQGASQ-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001132531814 787152683 /nfs/dbraw/zinc/15/26/83/787152683.db2.gz QWHROFJOOQGASQ-RYUDHWBXSA-N 1 0 326.397 -1.534 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001132531815 787152992 /nfs/dbraw/zinc/15/29/92/787152992.db2.gz QYHYGMRXFOUIPV-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO 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/nfs/dbraw/zinc/15/59/70/787155970.db2.gz VWMJVBPTLLMVNI-SNVBAGLBSA-N 1 0 325.369 -1.888 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132625234 787156466 /nfs/dbraw/zinc/15/64/66/787156466.db2.gz XMYMUHFZLGMFBZ-LLVKDONJSA-N 1 0 334.442 -1.548 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132625235 787156424 /nfs/dbraw/zinc/15/64/24/787156424.db2.gz XMYMUHFZLGMFBZ-NSHDSACASA-N 1 0 334.442 -1.548 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCN(C)C3=O)C2=O)n1 ZINC001132625293 787156249 /nfs/dbraw/zinc/15/62/49/787156249.db2.gz YPESIEZRXUUDMA-NEPJUHHUSA-N 1 0 348.407 -1.291 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCN(C)C3=O)C2=O)n1 ZINC001132625294 787156612 /nfs/dbraw/zinc/15/66/12/787156612.db2.gz YPESIEZRXUUDMA-NWDGAFQWSA-N 1 0 348.407 -1.291 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCN(C)C3=O)C2=O)n1 ZINC001132625295 787156338 /nfs/dbraw/zinc/15/63/38/787156338.db2.gz YPESIEZRXUUDMA-RYUDHWBXSA-N 1 0 348.407 -1.291 20 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787157614 /nfs/dbraw/zinc/15/76/14/787157614.db2.gz PTPMQQGCGUFSAQ-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO CCC[C@H](OCC)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132627629 787157603 /nfs/dbraw/zinc/15/76/03/787157603.db2.gz PTPMQQGCGUFSAQ-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001132633690 787158460 /nfs/dbraw/zinc/15/84/60/787158460.db2.gz MFTVCOCLCREJTC-NEPJUHHUSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001132633691 787158323 /nfs/dbraw/zinc/15/83/23/787158323.db2.gz MFTVCOCLCREJTC-NWDGAFQWSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001132633692 787157575 /nfs/dbraw/zinc/15/75/75/787157575.db2.gz MFTVCOCLCREJTC-RYUDHWBXSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001132633693 787157668 /nfs/dbraw/zinc/15/76/68/787157668.db2.gz MFTVCOCLCREJTC-VXGBXAGGSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132633826 787157662 /nfs/dbraw/zinc/15/76/62/787157662.db2.gz OFVSVFWERLTSTF-BDAKNGLRSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132633827 787158390 /nfs/dbraw/zinc/15/83/90/787158390.db2.gz OFVSVFWERLTSTF-DTWKUNHWSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132633828 787157859 /nfs/dbraw/zinc/15/78/59/787157859.db2.gz OFVSVFWERLTSTF-IUCAKERBSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132633829 787157665 /nfs/dbraw/zinc/15/76/65/787157665.db2.gz OFVSVFWERLTSTF-RKDXNWHRSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001132634402 787158196 /nfs/dbraw/zinc/15/81/96/787158196.db2.gz XMHHVTUDFGOGJM-GHMZBOCLSA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001132634403 787158351 /nfs/dbraw/zinc/15/83/51/787158351.db2.gz XMHHVTUDFGOGJM-MNOVXSKESA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001132634404 787157727 /nfs/dbraw/zinc/15/77/27/787157727.db2.gz XMHHVTUDFGOGJM-QWRGUYRKSA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001132634405 787157450 /nfs/dbraw/zinc/15/74/50/787157450.db2.gz XMHHVTUDFGOGJM-WDEREUQCSA-N 1 0 349.457 -1.722 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132637621 787157869 /nfs/dbraw/zinc/15/78/69/787157869.db2.gz KSHZZDAXRIFMMT-NXEZZACHSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132637622 787158297 /nfs/dbraw/zinc/15/82/97/787158297.db2.gz KSHZZDAXRIFMMT-UWVGGRQHSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132637623 787157651 /nfs/dbraw/zinc/15/76/51/787157651.db2.gz KSHZZDAXRIFMMT-VHSXEESVSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132637624 787157535 /nfs/dbraw/zinc/15/75/35/787157535.db2.gz KSHZZDAXRIFMMT-ZJUUUORDSA-N 1 0 342.400 -1.816 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132638155 787158139 /nfs/dbraw/zinc/15/81/39/787158139.db2.gz PICQQBBOACRARB-NEPJUHHUSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132638157 787158444 /nfs/dbraw/zinc/15/84/44/787158444.db2.gz PICQQBBOACRARB-NWDGAFQWSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132638159 787158312 /nfs/dbraw/zinc/15/83/12/787158312.db2.gz PICQQBBOACRARB-RYUDHWBXSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132638161 787157679 /nfs/dbraw/zinc/15/76/79/787157679.db2.gz PICQQBBOACRARB-VXGBXAGGSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001132638492 787157494 /nfs/dbraw/zinc/15/74/94/787157494.db2.gz RPDRGAGSPNIMTM-GHMZBOCLSA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001132638493 787158375 /nfs/dbraw/zinc/15/83/75/787158375.db2.gz RPDRGAGSPNIMTM-MNOVXSKESA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001132638494 787157439 /nfs/dbraw/zinc/15/74/39/787157439.db2.gz RPDRGAGSPNIMTM-QWRGUYRKSA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001132638495 787158158 /nfs/dbraw/zinc/15/81/58/787158158.db2.gz RPDRGAGSPNIMTM-WDEREUQCSA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132639052 787157587 /nfs/dbraw/zinc/15/75/87/787157587.db2.gz UILYABLWFPYVDT-NXEZZACHSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132639053 787157761 /nfs/dbraw/zinc/15/77/61/787157761.db2.gz UILYABLWFPYVDT-UWVGGRQHSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132639054 787157558 /nfs/dbraw/zinc/15/75/58/787157558.db2.gz UILYABLWFPYVDT-VHSXEESVSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132639055 787157523 /nfs/dbraw/zinc/15/75/23/787157523.db2.gz UILYABLWFPYVDT-ZJUUUORDSA-N 1 0 339.400 -1.649 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1csc(=O)[nH]1)N1CCNC(=O)C1 ZINC001132643648 787158240 /nfs/dbraw/zinc/15/82/40/787158240.db2.gz ADIMIKGSBPOFJJ-UHFFFAOYSA-N 1 0 327.366 -1.874 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1csc(=O)[nH]1 ZINC001132657937 787157672 /nfs/dbraw/zinc/15/76/72/787157672.db2.gz SISPMWFILCWUJK-MRVPVSSYSA-N 1 0 342.377 -1.322 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1csc(=O)[nH]1 ZINC001132657938 787157511 /nfs/dbraw/zinc/15/75/11/787157511.db2.gz SISPMWFILCWUJK-QMMMGPOBSA-N 1 0 342.377 -1.322 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2csc(=O)[nH]2)n(C)c1=O ZINC001132658109 787157545 /nfs/dbraw/zinc/15/75/45/787157545.db2.gz ZAQXIVPJHNJMRT-UHFFFAOYSA-N 1 0 339.377 -1.234 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1csc(=O)[nH]1)C(=O)N(C)C ZINC001132660459 787157794 /nfs/dbraw/zinc/15/77/94/787157794.db2.gz NFZVAKNMCNTITJ-MRVPVSSYSA-N 1 0 343.409 -1.239 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1csc(=O)[nH]1)C(=O)N(C)C ZINC001132660465 787158048 /nfs/dbraw/zinc/15/80/48/787158048.db2.gz NFZVAKNMCNTITJ-QMMMGPOBSA-N 1 0 343.409 -1.239 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132678511 787158408 /nfs/dbraw/zinc/15/84/08/787158408.db2.gz UYZCWLQKOIEXJA-NXEZZACHSA-N 1 0 343.384 -1.389 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132678512 787157481 /nfs/dbraw/zinc/15/74/81/787157481.db2.gz UYZCWLQKOIEXJA-UWVGGRQHSA-N 1 0 343.384 -1.389 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132678513 787157698 /nfs/dbraw/zinc/15/76/98/787157698.db2.gz UYZCWLQKOIEXJA-VHSXEESVSA-N 1 0 343.384 -1.389 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132678514 787157703 /nfs/dbraw/zinc/15/77/03/787157703.db2.gz UYZCWLQKOIEXJA-ZJUUUORDSA-N 1 0 343.384 -1.389 20 0 EAADRO C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132685239 787158454 /nfs/dbraw/zinc/15/84/54/787158454.db2.gz TUCQELDPTJKMSC-NXEZZACHSA-N 1 0 348.425 -1.700 20 0 EAADRO C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132685240 787157835 /nfs/dbraw/zinc/15/78/35/787157835.db2.gz TUCQELDPTJKMSC-UWVGGRQHSA-N 1 0 348.425 -1.700 20 0 EAADRO C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132685241 787157776 /nfs/dbraw/zinc/15/77/76/787157776.db2.gz TUCQELDPTJKMSC-VHSXEESVSA-N 1 0 348.425 -1.700 20 0 EAADRO C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132685242 787158441 /nfs/dbraw/zinc/15/84/41/787158441.db2.gz TUCQELDPTJKMSC-ZJUUUORDSA-N 1 0 348.425 -1.700 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132689080 787158002 /nfs/dbraw/zinc/15/80/02/787158002.db2.gz XVSWGSZFCGNBSH-CMPLNLGQSA-N 1 0 341.412 -1.266 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132689081 787157879 /nfs/dbraw/zinc/15/78/79/787157879.db2.gz XVSWGSZFCGNBSH-JQWIXIFHSA-N 1 0 341.412 -1.266 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132689082 787157946 /nfs/dbraw/zinc/15/79/46/787157946.db2.gz XVSWGSZFCGNBSH-PWSUYJOCSA-N 1 0 341.412 -1.266 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132689083 787158434 /nfs/dbraw/zinc/15/84/34/787158434.db2.gz XVSWGSZFCGNBSH-ZYHUDNBSSA-N 1 0 341.412 -1.266 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1c(C)nc[nH]c1=O ZINC001132702786 787157968 /nfs/dbraw/zinc/15/79/68/787157968.db2.gz DLFLAGXSTIATIX-UHFFFAOYSA-N 1 0 325.369 -1.037 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1c(C)nc[nH]c1=O ZINC001132706472 787157913 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Cc1nc[nH]c(=O)c1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132706574 787158116 /nfs/dbraw/zinc/15/81/16/787158116.db2.gz NUUJLMLUHGEPDT-UHFFFAOYSA-N 1 0 336.352 -2.232 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001132706689 787157843 /nfs/dbraw/zinc/15/78/43/787157843.db2.gz SUORGJVSPNJECZ-UHFFFAOYSA-N 1 0 343.409 -1.154 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1c(C)nc[nH]c1=O ZINC001132706741 787158362 /nfs/dbraw/zinc/15/83/62/787158362.db2.gz VIQYXHCMEFILOD-UHFFFAOYSA-N 1 0 325.369 -1.037 20 0 EAADRO COCCOCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132708641 787158150 /nfs/dbraw/zinc/15/81/50/787158150.db2.gz AUVFORHVXHYZJW-NEPJUHHUSA-N 1 0 344.412 -1.082 20 0 EAADRO COCCOCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132708642 787157426 /nfs/dbraw/zinc/15/74/26/787157426.db2.gz AUVFORHVXHYZJW-NWDGAFQWSA-N 1 0 344.412 -1.082 20 0 EAADRO COCCOCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132708643 787159594 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O=C(C[NH2+]CCNC(=O)Cc1cnoc1)NCC(=O)N1CCCC1 ZINC001132761786 787160792 /nfs/dbraw/zinc/16/07/92/787160792.db2.gz CBQCXBYUOAALHP-UHFFFAOYSA-N 1 0 337.380 -1.339 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001132761812 787160046 /nfs/dbraw/zinc/16/00/46/787160046.db2.gz DGMFOMWAYVVIOL-MRVPVSSYSA-N 1 0 326.382 -1.197 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1cnoc1)C(=O)N(C)C ZINC001132762048 787160636 /nfs/dbraw/zinc/16/06/36/787160636.db2.gz GAKLSRDEAKJAJV-JTQLQIEISA-N 1 0 325.369 -1.484 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1cnoc1)C(=O)N(C)C ZINC001132762049 787160345 /nfs/dbraw/zinc/16/03/45/787160345.db2.gz GAKLSRDEAKJAJV-SNVBAGLBSA-N 1 0 325.369 -1.484 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001132762190 787160075 /nfs/dbraw/zinc/16/00/75/787160075.db2.gz HVGMGUGMSIJVIF-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001132762196 787160159 /nfs/dbraw/zinc/16/01/59/787160159.db2.gz IFYMBKLYXDAPIU-SNVBAGLBSA-N 1 0 325.369 -1.699 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132762472 787160699 /nfs/dbraw/zinc/16/06/99/787160699.db2.gz LORGAIBWNHVKRX-SNVBAGLBSA-N 1 0 325.369 -2.729 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762506 787160786 /nfs/dbraw/zinc/16/07/86/787160786.db2.gz NFGLPHMALOBSTJ-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762509 787160894 /nfs/dbraw/zinc/16/08/94/787160894.db2.gz NIVJXBLHYWNPSC-NXEZZACHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762510 787160882 /nfs/dbraw/zinc/16/08/82/787160882.db2.gz NIVJXBLHYWNPSC-VHSXEESVSA-N 1 0 327.385 -1.453 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132762711 787160688 /nfs/dbraw/zinc/16/06/88/787160688.db2.gz PBEWJUGZDJFDDG-JTQLQIEISA-N 1 0 341.368 -1.216 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132762716 787160974 /nfs/dbraw/zinc/16/09/74/787160974.db2.gz PBEWJUGZDJFDDG-SNVBAGLBSA-N 1 0 341.368 -1.216 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001132762771 787160244 /nfs/dbraw/zinc/16/02/44/787160244.db2.gz QKIXBJLTNPBQPG-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001132762773 787160497 /nfs/dbraw/zinc/16/04/97/787160497.db2.gz QKIXBJLTNPBQPG-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763147 787160799 /nfs/dbraw/zinc/16/07/99/787160799.db2.gz XAGRLNPDOBEPEZ-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001132763186 787160621 /nfs/dbraw/zinc/16/06/21/787160621.db2.gz XPDVYUMHTLLWDV-GFCCVEGCSA-N 1 0 326.397 -1.392 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132763830 787162166 /nfs/dbraw/zinc/16/21/66/787162166.db2.gz BFMLMLDYHSVPPC-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001132763847 787162305 /nfs/dbraw/zinc/16/23/05/787162305.db2.gz BZOPTPURTNWSPJ-GHMZBOCLSA-N 1 0 340.380 -2.177 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001132763848 787162295 /nfs/dbraw/zinc/16/22/95/787162295.db2.gz BZOPTPURTNWSPJ-WDEREUQCSA-N 1 0 340.380 -2.177 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001132763861 787162415 /nfs/dbraw/zinc/16/24/15/787162415.db2.gz CMEVWAYKUFDRCE-NWDGAFQWSA-N 1 0 326.397 -1.704 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763887 787162708 /nfs/dbraw/zinc/16/27/08/787162708.db2.gz DLPDOWDILPPQFB-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3C)C2=O)n1 ZINC001132764306 787161822 /nfs/dbraw/zinc/16/18/22/787161822.db2.gz OPTSLLWEDKZUSM-NWDGAFQWSA-N 1 0 348.407 -1.148 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC(=O)N3C)C2=O)n1 ZINC001132764307 787162254 /nfs/dbraw/zinc/16/22/54/787162254.db2.gz OPTSLLWEDKZUSM-VXGBXAGGSA-N 1 0 348.407 -1.148 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001132764356 787162530 /nfs/dbraw/zinc/16/25/30/787162530.db2.gz QWHROFJOOQGASQ-NWDGAFQWSA-N 1 0 326.397 -1.534 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001132764357 787162625 /nfs/dbraw/zinc/16/26/25/787162625.db2.gz QWHROFJOOQGASQ-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001132764358 787162136 /nfs/dbraw/zinc/16/21/36/787162136.db2.gz QYHYGMRXFOUIPV-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001132764363 787161679 /nfs/dbraw/zinc/16/16/79/787161679.db2.gz RBRVALGSOJZQNU-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001132764364 787162802 /nfs/dbraw/zinc/16/28/02/787162802.db2.gz RBRVALGSOJZQNU-VXGBXAGGSA-N 1 0 346.453 -1.406 20 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/nfs/dbraw/zinc/16/22/04/787162204.db2.gz XBCWKJXSWNTUIO-VXGBXAGGSA-N 1 0 326.397 -1.440 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001132764819 787161969 /nfs/dbraw/zinc/16/19/69/787161969.db2.gz YFFGENNCTVJMOH-GXTWGEPZSA-N 1 0 343.424 -1.131 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001132764820 787162149 /nfs/dbraw/zinc/16/21/49/787162149.db2.gz YFFGENNCTVJMOH-TZMCWYRMSA-N 1 0 343.424 -1.131 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001132766759 787162507 /nfs/dbraw/zinc/16/25/07/787162507.db2.gz PGCMRMMHSLDDHO-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001132766760 787162560 /nfs/dbraw/zinc/16/25/60/787162560.db2.gz PGCMRMMHSLDDHO-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001132766761 787162555 /nfs/dbraw/zinc/16/25/55/787162555.db2.gz PGCMRMMHSLDDHO-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001132766762 787161885 /nfs/dbraw/zinc/16/18/85/787161885.db2.gz PGCMRMMHSLDDHO-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767376 787160955 /nfs/dbraw/zinc/16/09/55/787160955.db2.gz BJZVFYYIPRRKDK-NWDGAFQWSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767377 787160811 /nfs/dbraw/zinc/16/08/11/787160811.db2.gz BJZVFYYIPRRKDK-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767402 787160842 /nfs/dbraw/zinc/16/08/42/787160842.db2.gz CNIDAKZZWWKHAM-GHMZBOCLSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767403 787160983 /nfs/dbraw/zinc/16/09/83/787160983.db2.gz CNIDAKZZWWKHAM-WDEREUQCSA-N 1 0 341.412 -1.064 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)NC(=O)NC1CC1 ZINC001132767448 787160757 /nfs/dbraw/zinc/16/07/57/787160757.db2.gz FEHWTVGDQBAQLH-GXSJLCMTSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)NC(=O)NC1CC1 ZINC001132767449 787160530 /nfs/dbraw/zinc/16/05/30/787160530.db2.gz FEHWTVGDQBAQLH-MWLCHTKSSA-N 1 0 339.396 -1.310 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767525 787160878 /nfs/dbraw/zinc/16/08/78/787160878.db2.gz IKNJJEVVDZKZAC-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001132767529 787160481 /nfs/dbraw/zinc/16/04/81/787160481.db2.gz IPVKEGNNJKANFT-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2C)n(C)n1 ZINC001132767585 787160860 /nfs/dbraw/zinc/16/08/60/787160860.db2.gz KWUSOGZVQPJUOH-LLVKDONJSA-N 1 0 336.396 -1.006 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)N(C)C ZINC001132767718 787160886 /nfs/dbraw/zinc/16/08/86/787160886.db2.gz QMSZFRYPJOQYLM-GHMZBOCLSA-N 1 0 341.412 -2.094 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)N(C)C ZINC001132767719 787160599 /nfs/dbraw/zinc/16/05/99/787160599.db2.gz QMSZFRYPJOQYLM-WDEREUQCSA-N 1 0 341.412 -2.094 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001132767830 787160580 /nfs/dbraw/zinc/16/05/80/787160580.db2.gz VRQGPASRVQDUEU-LLVKDONJSA-N 1 0 337.380 -2.089 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132769073 787160962 /nfs/dbraw/zinc/16/09/62/787160962.db2.gz KCYINLUVNIXCES-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132769074 787160543 /nfs/dbraw/zinc/16/05/43/787160543.db2.gz KCYINLUVNIXCES-MNOVXSKESA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132769075 787160890 /nfs/dbraw/zinc/16/08/90/787160890.db2.gz KCYINLUVNIXCES-QWRGUYRKSA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132769076 787160913 /nfs/dbraw/zinc/16/09/13/787160913.db2.gz KCYINLUVNIXCES-WDEREUQCSA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001132773407 787160917 /nfs/dbraw/zinc/16/09/17/787160917.db2.gz JVPQVTNGGSOITP-GHMZBOCLSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001132773408 787160828 /nfs/dbraw/zinc/16/08/28/787160828.db2.gz JVPQVTNGGSOITP-MNOVXSKESA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001132773409 787160723 /nfs/dbraw/zinc/16/07/23/787160723.db2.gz JVPQVTNGGSOITP-QWRGUYRKSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001132773410 787160465 /nfs/dbraw/zinc/16/04/65/787160465.db2.gz JVPQVTNGGSOITP-WDEREUQCSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132773791 787160414 /nfs/dbraw/zinc/16/04/14/787160414.db2.gz QAHLRDDDDWNHSM-GHMZBOCLSA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132773792 787162733 /nfs/dbraw/zinc/16/27/33/787162733.db2.gz QAHLRDDDDWNHSM-MNOVXSKESA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132773793 787162690 /nfs/dbraw/zinc/16/26/90/787162690.db2.gz QAHLRDDDDWNHSM-QWRGUYRKSA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132773794 787162773 /nfs/dbraw/zinc/16/27/73/787162773.db2.gz QAHLRDDDDWNHSM-WDEREUQCSA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132774071 787162716 /nfs/dbraw/zinc/16/27/16/787162716.db2.gz WNTMNOUFRMKQCH-NXEZZACHSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132774072 787162059 /nfs/dbraw/zinc/16/20/59/787162059.db2.gz WNTMNOUFRMKQCH-UWVGGRQHSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132774073 787162037 /nfs/dbraw/zinc/16/20/37/787162037.db2.gz WNTMNOUFRMKQCH-VHSXEESVSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132774074 787162316 /nfs/dbraw/zinc/16/23/16/787162316.db2.gz WNTMNOUFRMKQCH-ZJUUUORDSA-N 1 0 327.385 -1.608 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001132784211 787161517 /nfs/dbraw/zinc/16/15/17/787161517.db2.gz LUKGHNURGSYZMC-GFCCVEGCSA-N 1 0 341.412 -1.470 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001132784212 787162375 /nfs/dbraw/zinc/16/23/75/787162375.db2.gz LUKGHNURGSYZMC-LBPRGKRZSA-N 1 0 341.412 -1.470 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132790110 787162269 /nfs/dbraw/zinc/16/22/69/787162269.db2.gz SCRPUSAXKHLMQS-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132790111 787162462 /nfs/dbraw/zinc/16/24/62/787162462.db2.gz SCRPUSAXKHLMQS-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132790112 787162074 /nfs/dbraw/zinc/16/20/74/787162074.db2.gz SCRPUSAXKHLMQS-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132790113 787162546 /nfs/dbraw/zinc/16/25/46/787162546.db2.gz SCRPUSAXKHLMQS-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)N(C)CC(F)(F)F ZINC001132791232 787161695 /nfs/dbraw/zinc/16/16/95/787161695.db2.gz VLYSTZNLRVEQPJ-SSDOTTSWSA-N 1 0 327.307 -1.230 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)N(C)CC(F)(F)F ZINC001132791233 787162280 /nfs/dbraw/zinc/16/22/80/787162280.db2.gz VLYSTZNLRVEQPJ-ZETCQYMHSA-N 1 0 327.307 -1.230 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132793093 787162121 /nfs/dbraw/zinc/16/21/21/787162121.db2.gz CSMRCVCWPYHFMN-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132793094 787162017 /nfs/dbraw/zinc/16/20/17/787162017.db2.gz CSMRCVCWPYHFMN-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132793095 787162111 /nfs/dbraw/zinc/16/21/11/787162111.db2.gz CSMRCVCWPYHFMN-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132793096 787161950 /nfs/dbraw/zinc/16/19/50/787161950.db2.gz CSMRCVCWPYHFMN-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnc2n1CCCC2)N1CCNC(=O)C1 ZINC001132794751 787162343 /nfs/dbraw/zinc/16/23/43/787162343.db2.gz FXMJCNQYGVBYFR-UHFFFAOYSA-N 1 0 348.407 -1.503 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001132797775 787162643 /nfs/dbraw/zinc/16/26/43/787162643.db2.gz BDUOCFHDKOHQTD-NSHDSACASA-N 1 0 341.412 -1.063 20 0 EAADRO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001132798225 787161648 /nfs/dbraw/zinc/16/16/48/787161648.db2.gz KBAXFKCACRTEJS-LBPRGKRZSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132798761 787161906 /nfs/dbraw/zinc/16/19/06/787161906.db2.gz DXTVSJUTMXPGJT-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132798762 787162497 /nfs/dbraw/zinc/16/24/97/787162497.db2.gz DXTVSJUTMXPGJT-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132798763 787161641 /nfs/dbraw/zinc/16/16/41/787161641.db2.gz DXTVSJUTMXPGJT-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132798764 787161624 /nfs/dbraw/zinc/16/16/24/787161624.db2.gz DXTVSJUTMXPGJT-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001132798879 787162820 /nfs/dbraw/zinc/16/28/20/787162820.db2.gz VHFGXZWONTWQIF-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001132799135 787162580 /nfs/dbraw/zinc/16/25/80/787162580.db2.gz YWQYWEQZMUNQHD-JTQLQIEISA-N 1 0 327.385 -1.453 20 0 EAADRO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132808020 787162796 /nfs/dbraw/zinc/16/27/96/787162796.db2.gz FXCFFKFTIUNLRN-NSHDSACASA-N 1 0 339.396 -1.357 20 0 EAADRO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001132808131 787162068 /nfs/dbraw/zinc/16/20/68/787162068.db2.gz LEHXUWBLENQQGH-UWVGGRQHSA-N 1 0 327.385 -1.325 20 0 EAADRO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001132808132 787161482 /nfs/dbraw/zinc/16/14/82/787161482.db2.gz LEHXUWBLENQQGH-ZJUUUORDSA-N 1 0 327.385 -1.325 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001132808133 787161957 /nfs/dbraw/zinc/16/19/57/787161957.db2.gz LEVINZSEHJMPND-MNOVXSKESA-N 1 0 341.412 -1.064 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001132808134 787162223 /nfs/dbraw/zinc/16/22/23/787162223.db2.gz LEVINZSEHJMPND-QWRGUYRKSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132808326 787162742 /nfs/dbraw/zinc/16/27/42/787162742.db2.gz UTLPEGULLZXFON-NSHDSACASA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)c1cncnc1 ZINC001132816494 787162085 /nfs/dbraw/zinc/16/20/85/787162085.db2.gz OOYHGNBZIRMODT-LLVKDONJSA-N 1 0 334.380 -1.756 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)c1cncnc1 ZINC001132816495 787161792 /nfs/dbraw/zinc/16/17/92/787161792.db2.gz OOYHGNBZIRMODT-NSHDSACASA-N 1 0 334.380 -1.756 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cncnc1 ZINC001132820903 787162520 /nfs/dbraw/zinc/16/25/20/787162520.db2.gz RSZBPFGQHFIKKH-AAEUAGOBSA-N 1 0 349.391 -1.204 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cncnc1 ZINC001132820904 787161744 /nfs/dbraw/zinc/16/17/44/787161744.db2.gz RSZBPFGQHFIKKH-DGCLKSJQSA-N 1 0 349.391 -1.204 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cncnc1 ZINC001132820905 787161762 /nfs/dbraw/zinc/16/17/62/787161762.db2.gz RSZBPFGQHFIKKH-WCQYABFASA-N 1 0 349.391 -1.204 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cncnc1 ZINC001132820906 787162408 /nfs/dbraw/zinc/16/24/08/787162408.db2.gz RSZBPFGQHFIKKH-YPMHNXCESA-N 1 0 349.391 -1.204 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cncnc1 ZINC001132822270 787162758 /nfs/dbraw/zinc/16/27/58/787162758.db2.gz KHKXILZIHVTBGB-LLVKDONJSA-N 1 0 346.391 -1.117 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cncnc1 ZINC001132822271 787161561 /nfs/dbraw/zinc/16/15/61/787161561.db2.gz KHKXILZIHVTBGB-NSHDSACASA-N 1 0 346.391 -1.117 20 0 EAADRO Cc1nc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cs1 ZINC001132823047 787161937 /nfs/dbraw/zinc/16/19/37/787161937.db2.gz WFWPRXYXTNZGCC-UHFFFAOYSA-N 1 0 325.394 -1.271 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CCOCCO ZINC001132823509 787161928 /nfs/dbraw/zinc/16/19/28/787161928.db2.gz HVAFXOBBJGQNNI-CHWSQXEVSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CCOCCO ZINC001132823510 787162159 /nfs/dbraw/zinc/16/21/59/787162159.db2.gz HVAFXOBBJGQNNI-OLZOCXBDSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CCOCCO ZINC001132823511 787162838 /nfs/dbraw/zinc/16/28/38/787162838.db2.gz HVAFXOBBJGQNNI-QWHCGFSZSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CCOCCO ZINC001132823512 787161946 /nfs/dbraw/zinc/16/19/46/787161946.db2.gz HVAFXOBBJGQNNI-STQMWFEESA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132824581 787162034 /nfs/dbraw/zinc/16/20/34/787162034.db2.gz UHVCIJBHWOEVSK-NXEZZACHSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132824582 787161996 /nfs/dbraw/zinc/16/19/96/787161996.db2.gz UHVCIJBHWOEVSK-UWVGGRQHSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132824583 787162768 /nfs/dbraw/zinc/16/27/68/787162768.db2.gz UHVCIJBHWOEVSK-VHSXEESVSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132824584 787162569 /nfs/dbraw/zinc/16/25/69/787162569.db2.gz UHVCIJBHWOEVSK-ZJUUUORDSA-N 1 0 338.372 -2.058 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@H]1C ZINC001132828096 787164696 /nfs/dbraw/zinc/16/46/96/787164696.db2.gz NJVUONGQJZLXCE-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@@H]1C ZINC001132828097 787164357 /nfs/dbraw/zinc/16/43/57/787164357.db2.gz NJVUONGQJZLXCE-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@@H]1C ZINC001132828098 787163519 /nfs/dbraw/zinc/16/35/19/787163519.db2.gz NJVUONGQJZLXCE-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@H]1C ZINC001132828099 787163250 /nfs/dbraw/zinc/16/32/50/787163250.db2.gz NJVUONGQJZLXCE-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001132828204 787163691 /nfs/dbraw/zinc/16/36/91/787163691.db2.gz NRAADPIGYCLKNR-NEPJUHHUSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001132828205 787163664 /nfs/dbraw/zinc/16/36/64/787163664.db2.gz NRAADPIGYCLKNR-NWDGAFQWSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001132828206 787164680 /nfs/dbraw/zinc/16/46/80/787164680.db2.gz NRAADPIGYCLKNR-RYUDHWBXSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001132828207 787164323 /nfs/dbraw/zinc/16/43/23/787164323.db2.gz NRAADPIGYCLKNR-VXGBXAGGSA-N 1 0 344.441 -1.208 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132828636 787164699 /nfs/dbraw/zinc/16/46/99/787164699.db2.gz WIAGONMDXTUFBW-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132828637 787164269 /nfs/dbraw/zinc/16/42/69/787164269.db2.gz WIAGONMDXTUFBW-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132828638 787164135 /nfs/dbraw/zinc/16/41/35/787164135.db2.gz WIAGONMDXTUFBW-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132828639 787164304 /nfs/dbraw/zinc/16/43/04/787164304.db2.gz WIAGONMDXTUFBW-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132829004 787164664 /nfs/dbraw/zinc/16/46/64/787164664.db2.gz ZQRVPAHOKBWILK-CHWSQXEVSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132829005 787163529 /nfs/dbraw/zinc/16/35/29/787163529.db2.gz ZQRVPAHOKBWILK-OLZOCXBDSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132829006 787163281 /nfs/dbraw/zinc/16/32/81/787163281.db2.gz ZQRVPAHOKBWILK-QWHCGFSZSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001132829007 787164488 /nfs/dbraw/zinc/16/44/88/787164488.db2.gz ZQRVPAHOKBWILK-STQMWFEESA-N 1 0 335.412 -1.020 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001132834856 787164685 /nfs/dbraw/zinc/16/46/85/787164685.db2.gz SKRZNYFLGYGBEO-GFCCVEGCSA-N 1 0 341.412 -1.157 20 0 EAADRO CC(=O)N[C@H](CC1CCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132835103 787163226 /nfs/dbraw/zinc/16/32/26/787163226.db2.gz XNVQULVPYKRUEI-LLVKDONJSA-N 1 0 327.385 -1.418 20 0 EAADRO Cc1cc(C2(C(=O)NCC[NH2+]CC(=O)N3CCNC(=O)C3)CC2)on1 ZINC001132835332 787163999 /nfs/dbraw/zinc/16/39/99/787163999.db2.gz ZLLUGUJMJOVYCB-UHFFFAOYSA-N 1 0 349.391 -1.321 20 0 EAADRO CC(=O)N[C@H](CC1CCC1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001132837817 787162096 /nfs/dbraw/zinc/16/20/96/787162096.db2.gz OIEFQUFJYMMGQC-BXKDBHETSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@H](CC1CCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001132837818 787161912 /nfs/dbraw/zinc/16/19/12/787161912.db2.gz OIEFQUFJYMMGQC-JOYOIKCWSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@H](CC1CCC1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132838017 787162786 /nfs/dbraw/zinc/16/27/86/787162786.db2.gz SYIOQJDOTWLUHK-CYBMUJFWSA-N 1 0 348.469 -1.064 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001132838460 787162428 /nfs/dbraw/zinc/16/24/28/787162428.db2.gz CXAWQHZOYJRXPI-GHMZBOCLSA-N 1 0 331.438 -1.149 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001132838461 787162833 /nfs/dbraw/zinc/16/28/33/787162833.db2.gz CXAWQHZOYJRXPI-MNOVXSKESA-N 1 0 331.438 -1.149 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1C ZINC001132838462 787161770 /nfs/dbraw/zinc/16/17/70/787161770.db2.gz CXAWQHZOYJRXPI-QWRGUYRKSA-N 1 0 331.438 -1.149 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1C ZINC001132838463 787162468 /nfs/dbraw/zinc/16/24/68/787162468.db2.gz CXAWQHZOYJRXPI-WDEREUQCSA-N 1 0 331.438 -1.149 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C[NH2+]CC(N)=O ZINC001132843320 787162078 /nfs/dbraw/zinc/16/20/78/787162078.db2.gz LIDQPRDFCGAJLV-NXEZZACHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132843321 787161809 /nfs/dbraw/zinc/16/18/09/787161809.db2.gz LIDQPRDFCGAJLV-UWVGGRQHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C[NH2+]CC(N)=O ZINC001132843322 787162808 /nfs/dbraw/zinc/16/28/08/787162808.db2.gz LIDQPRDFCGAJLV-VHSXEESVSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132843323 787162327 /nfs/dbraw/zinc/16/23/27/787162327.db2.gz LIDQPRDFCGAJLV-ZJUUUORDSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C[NH2+]CCCO ZINC001132843668 787161721 /nfs/dbraw/zinc/16/17/21/787161721.db2.gz QDCKBFDPCZRLFS-NEPJUHHUSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C[NH2+]CCCO ZINC001132843669 787162815 /nfs/dbraw/zinc/16/28/15/787162815.db2.gz QDCKBFDPCZRLFS-NWDGAFQWSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C[NH2+]CCCO ZINC001132843670 787162195 /nfs/dbraw/zinc/16/21/95/787162195.db2.gz QDCKBFDPCZRLFS-RYUDHWBXSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C[NH2+]CCCO ZINC001132843671 787163948 /nfs/dbraw/zinc/16/39/48/787163948.db2.gz QDCKBFDPCZRLFS-VXGBXAGGSA-N 1 0 338.412 -1.166 20 0 EAADRO O=C(CCc1ccc(=O)[nH]c1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132844907 787163361 /nfs/dbraw/zinc/16/33/61/787163361.db2.gz YNXCDHPUJQKCOD-UHFFFAOYSA-N 1 0 349.391 -1.616 20 0 EAADRO O=C(CCc1ccc(=O)[nH]c1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132848279 787163494 /nfs/dbraw/zinc/16/34/94/787163494.db2.gz CWFKMSYDUJIPSE-UHFFFAOYSA-N 1 0 335.364 -1.023 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1ccc(=O)[nH]c1 ZINC001132848673 787163603 /nfs/dbraw/zinc/16/36/03/787163603.db2.gz OPMXULUFZZRZRX-UHFFFAOYSA-N 1 0 330.410 -1.025 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132851766 787165684 /nfs/dbraw/zinc/16/56/84/787165684.db2.gz ZFOHABBPBQKVRO-GHMZBOCLSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132851767 787164891 /nfs/dbraw/zinc/16/48/91/787164891.db2.gz ZFOHABBPBQKVRO-MNOVXSKESA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132851768 787165412 /nfs/dbraw/zinc/16/54/12/787165412.db2.gz ZFOHABBPBQKVRO-QWRGUYRKSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132851769 787165788 /nfs/dbraw/zinc/16/57/88/787165788.db2.gz ZFOHABBPBQKVRO-WDEREUQCSA-N 1 0 337.384 -1.453 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@]2(F)CCOC2)CC1 ZINC001132852020 787165966 /nfs/dbraw/zinc/16/59/66/787165966.db2.gz FXEFHHZREWMIMU-HNNXBMFYSA-N 1 0 344.387 -1.455 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@]2(F)CCOC2)CC1 ZINC001132852021 787165895 /nfs/dbraw/zinc/16/58/95/787165895.db2.gz FXEFHHZREWMIMU-OAHLLOKOSA-N 1 0 344.387 -1.455 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@]1(F)CCOC1 ZINC001132852734 787166166 /nfs/dbraw/zinc/16/61/66/787166166.db2.gz SURHCEIFKMGBTG-HNNXBMFYSA-N 1 0 346.403 -1.148 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@@]1(F)CCOC1 ZINC001132852735 787165396 /nfs/dbraw/zinc/16/53/96/787165396.db2.gz SURHCEIFKMGBTG-OAHLLOKOSA-N 1 0 346.403 -1.148 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132854734 787163405 /nfs/dbraw/zinc/16/34/05/787163405.db2.gz KJDVYGRLSIAGCN-NEPJUHHUSA-N 1 0 328.413 -1.301 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132854735 787164467 /nfs/dbraw/zinc/16/44/67/787164467.db2.gz KJDVYGRLSIAGCN-NWDGAFQWSA-N 1 0 328.413 -1.301 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132854736 787163153 /nfs/dbraw/zinc/16/31/53/787163153.db2.gz KJDVYGRLSIAGCN-RYUDHWBXSA-N 1 0 328.413 -1.301 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132854737 787164524 /nfs/dbraw/zinc/16/45/24/787164524.db2.gz KJDVYGRLSIAGCN-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@]2(F)CCOC2)CC1 ZINC001132855861 787163476 /nfs/dbraw/zinc/16/34/76/787163476.db2.gz IRCUJHJHQBKKGE-HNNXBMFYSA-N 1 0 344.387 -1.489 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@]2(F)CCOC2)CC1 ZINC001132855862 787163290 /nfs/dbraw/zinc/16/32/90/787163290.db2.gz IRCUJHJHQBKKGE-OAHLLOKOSA-N 1 0 344.387 -1.489 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@]1(F)CCOC1 ZINC001132856060 787163140 /nfs/dbraw/zinc/16/31/40/787163140.db2.gz MEGRSWVCMGAKQH-HZMBPMFUSA-N 1 0 331.344 -1.669 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@]1(F)CCOC1 ZINC001132856064 787164238 /nfs/dbraw/zinc/16/42/38/787164238.db2.gz MEGRSWVCMGAKQH-IINYFYTJSA-N 1 0 331.344 -1.669 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@]1(F)CCOC1 ZINC001132856065 787164053 /nfs/dbraw/zinc/16/40/53/787164053.db2.gz MEGRSWVCMGAKQH-QMTHXVAHSA-N 1 0 331.344 -1.669 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@]1(F)CCOC1 ZINC001132856067 787163754 /nfs/dbraw/zinc/16/37/54/787163754.db2.gz MEGRSWVCMGAKQH-YGRLFVJLSA-N 1 0 331.344 -1.669 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)COC)CC[C@H]1C ZINC001132859401 787164246 /nfs/dbraw/zinc/16/42/46/787164246.db2.gz CDTSXDJWKGRSLR-CHWSQXEVSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCNC(=O)COC)CC[C@H]1C ZINC001132859402 787164275 /nfs/dbraw/zinc/16/42/75/787164275.db2.gz CDTSXDJWKGRSLR-OLZOCXBDSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)COC)CC[C@@H]1C ZINC001132859403 787164389 /nfs/dbraw/zinc/16/43/89/787164389.db2.gz CDTSXDJWKGRSLR-QWHCGFSZSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCNC(=O)COC)CC[C@@H]1C ZINC001132859404 787164693 /nfs/dbraw/zinc/16/46/93/787164693.db2.gz CDTSXDJWKGRSLR-STQMWFEESA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCOCCO)C1 ZINC001132859621 787164181 /nfs/dbraw/zinc/16/41/81/787164181.db2.gz GOBBTNQLVHUPIZ-CHWSQXEVSA-N 1 0 330.429 -1.002 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCOCCO)C1 ZINC001132859622 787164331 /nfs/dbraw/zinc/16/43/31/787164331.db2.gz GOBBTNQLVHUPIZ-OLZOCXBDSA-N 1 0 330.429 -1.002 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCOCCO)C1 ZINC001132859623 787164458 /nfs/dbraw/zinc/16/44/58/787164458.db2.gz GOBBTNQLVHUPIZ-QWHCGFSZSA-N 1 0 330.429 -1.002 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCOCCO)C1 ZINC001132859624 787164728 /nfs/dbraw/zinc/16/47/28/787164728.db2.gz GOBBTNQLVHUPIZ-STQMWFEESA-N 1 0 330.429 -1.002 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001132860325 787163922 /nfs/dbraw/zinc/16/39/22/787163922.db2.gz SCEIHVUGINPBKI-NXEZZACHSA-N 1 0 342.400 -1.816 20 0 EAADRO 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COCC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132874430 787165516 /nfs/dbraw/zinc/16/55/16/787165516.db2.gz HZBXSOASBYYYOF-NEPJUHHUSA-N 1 0 328.413 -1.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132874431 787165575 /nfs/dbraw/zinc/16/55/75/787165575.db2.gz HZBXSOASBYYYOF-NWDGAFQWSA-N 1 0 328.413 -1.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132874432 787166102 /nfs/dbraw/zinc/16/61/02/787166102.db2.gz HZBXSOASBYYYOF-RYUDHWBXSA-N 1 0 328.413 -1.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132874433 787166040 /nfs/dbraw/zinc/16/60/40/787166040.db2.gz HZBXSOASBYYYOF-VXGBXAGGSA-N 1 0 328.413 -1.349 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001132878216 787166111 /nfs/dbraw/zinc/16/61/11/787166111.db2.gz IQPCGRVSPJOCBB-NEPJUHHUSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001132878217 787166141 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EAADRO Cc1ncc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1C ZINC001132895587 787165650 /nfs/dbraw/zinc/16/56/50/787165650.db2.gz IIFCDSXUCGBUNR-UHFFFAOYSA-N 1 0 334.380 -1.354 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001132895600 787165250 /nfs/dbraw/zinc/16/52/50/787165250.db2.gz ISZHCWJABSILDW-JTQLQIEISA-N 1 0 336.396 -1.314 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001132895601 787165304 /nfs/dbraw/zinc/16/53/04/787165304.db2.gz ISZHCWJABSILDW-SNVBAGLBSA-N 1 0 336.396 -1.314 20 0 EAADRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)n1C ZINC001132895835 787164949 /nfs/dbraw/zinc/16/49/49/787164949.db2.gz NOVHLTLMGBAXMM-JTQLQIEISA-N 1 0 338.412 -1.359 20 0 EAADRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)n1C ZINC001132895836 787166805 /nfs/dbraw/zinc/16/68/05/787166805.db2.gz NOVHLTLMGBAXMM-SNVBAGLBSA-N 1 0 338.412 -1.359 20 0 EAADRO O=C(Cc1ncccc1F)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132898389 787166702 /nfs/dbraw/zinc/16/67/02/787166702.db2.gz MRXPQTIUZWJKAT-UHFFFAOYSA-N 1 0 337.355 -1.573 20 0 EAADRO Cn1ncc2c1C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001132900311 787167834 /nfs/dbraw/zinc/16/78/34/787167834.db2.gz BRMCVVBBKXMACC-LLVKDONJSA-N 1 0 348.407 -1.217 20 0 EAADRO Cn1ncc2c1C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001132900312 787166772 /nfs/dbraw/zinc/16/67/72/787166772.db2.gz BRMCVVBBKXMACC-NSHDSACASA-N 1 0 348.407 -1.217 20 0 EAADRO Cn1ncc2c1C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001132900474 787167818 /nfs/dbraw/zinc/16/78/18/787167818.db2.gz DKTBGLLADMPTQX-LLVKDONJSA-N 1 0 343.453 -1.220 20 0 EAADRO Cn1ncc2c1C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001132900475 787166894 /nfs/dbraw/zinc/16/68/94/787166894.db2.gz DKTBGLLADMPTQX-NSHDSACASA-N 1 0 343.453 -1.220 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001132900587 787167487 /nfs/dbraw/zinc/16/74/87/787167487.db2.gz GDTFFWBDHIURQH-NEPJUHHUSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001132900588 787167757 /nfs/dbraw/zinc/16/77/57/787167757.db2.gz GDTFFWBDHIURQH-NWDGAFQWSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001132900589 787167595 /nfs/dbraw/zinc/16/75/95/787167595.db2.gz GDTFFWBDHIURQH-RYUDHWBXSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001132900590 787167611 /nfs/dbraw/zinc/16/76/11/787167611.db2.gz GDTFFWBDHIURQH-VXGBXAGGSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132900759 787167076 /nfs/dbraw/zinc/16/70/76/787167076.db2.gz GZNNZFXCUYLFIX-NXEZZACHSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132900760 787167744 /nfs/dbraw/zinc/16/77/44/787167744.db2.gz GZNNZFXCUYLFIX-UWVGGRQHSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132900761 787167976 /nfs/dbraw/zinc/16/79/76/787167976.db2.gz GZNNZFXCUYLFIX-VHSXEESVSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001132900762 787166792 /nfs/dbraw/zinc/16/67/92/787166792.db2.gz GZNNZFXCUYLFIX-ZJUUUORDSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)NC(N)=O ZINC001132901977 787167544 /nfs/dbraw/zinc/16/75/44/787167544.db2.gz XYWLWAXHBZKGMJ-NXEZZACHSA-N 1 0 336.396 -1.186 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)NC(N)=O ZINC001132901980 787166719 /nfs/dbraw/zinc/16/67/19/787166719.db2.gz XYWLWAXHBZKGMJ-UWVGGRQHSA-N 1 0 336.396 -1.186 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)NC(N)=O ZINC001132901982 787167137 /nfs/dbraw/zinc/16/71/37/787167137.db2.gz XYWLWAXHBZKGMJ-VHSXEESVSA-N 1 0 336.396 -1.186 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)NC(N)=O ZINC001132901985 787167355 /nfs/dbraw/zinc/16/73/55/787167355.db2.gz XYWLWAXHBZKGMJ-ZJUUUORDSA-N 1 0 336.396 -1.186 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C ZINC001132902867 787167304 /nfs/dbraw/zinc/16/73/04/787167304.db2.gz XRIZWSMALFKOOS-CHWSQXEVSA-N 1 0 340.424 -1.335 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C ZINC001132902868 787166954 /nfs/dbraw/zinc/16/69/54/787166954.db2.gz XRIZWSMALFKOOS-OLZOCXBDSA-N 1 0 340.424 -1.335 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C ZINC001132902869 787166691 /nfs/dbraw/zinc/16/66/91/787166691.db2.gz XRIZWSMALFKOOS-QWHCGFSZSA-N 1 0 340.424 -1.335 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C ZINC001132902870 787167889 /nfs/dbraw/zinc/16/78/89/787167889.db2.gz XRIZWSMALFKOOS-STQMWFEESA-N 1 0 340.424 -1.335 20 0 EAADRO COc1cccnc1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132906313 787167675 /nfs/dbraw/zinc/16/76/75/787167675.db2.gz LRKSBIVZZAGIHO-UHFFFAOYSA-N 1 0 349.391 -1.703 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001132906894 787167534 /nfs/dbraw/zinc/16/75/34/787167534.db2.gz XYBHFSCGDAOFNJ-MRVPVSSYSA-N 1 0 339.318 -1.229 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001132906895 787166630 /nfs/dbraw/zinc/16/66/30/787166630.db2.gz XYBHFSCGDAOFNJ-QMMMGPOBSA-N 1 0 339.318 -1.229 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)C1CCN(CC(F)F)CC1 ZINC001132913131 787166961 /nfs/dbraw/zinc/16/69/61/787166961.db2.gz CPLFWHQLIRDSDX-UHFFFAOYSA-N 1 0 335.355 -1.136 20 0 EAADRO COc1cccnc1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132913160 787166732 /nfs/dbraw/zinc/16/67/32/787166732.db2.gz FWKSCNZUWWJKQM-UHFFFAOYSA-N 1 0 330.410 -1.112 20 0 EAADRO COc1cccnc1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132913448 787166599 /nfs/dbraw/zinc/16/65/99/787166599.db2.gz VEKNGYBZDSKUKR-UHFFFAOYSA-N 1 0 335.364 -1.110 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)CC2 ZINC001132919748 787166877 /nfs/dbraw/zinc/16/68/77/787166877.db2.gz DVLUFHAFEWDGJD-LLVKDONJSA-N 1 0 335.412 -1.349 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)CC2 ZINC001132919750 787167796 /nfs/dbraw/zinc/16/77/96/787167796.db2.gz DVLUFHAFEWDGJD-NSHDSACASA-N 1 0 335.412 -1.349 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001132920165 787167497 /nfs/dbraw/zinc/16/74/97/787167497.db2.gz JJJYJOHRFIDSFS-JTQLQIEISA-N 1 0 349.395 -1.822 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001132920166 787167929 /nfs/dbraw/zinc/16/79/29/787167929.db2.gz JJJYJOHRFIDSFS-SNVBAGLBSA-N 1 0 349.395 -1.822 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC2 ZINC001132920201 787167514 /nfs/dbraw/zinc/16/75/14/787167514.db2.gz KCZKPQREGNXCLC-JTQLQIEISA-N 1 0 329.426 -1.330 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC2 ZINC001132920202 787167748 /nfs/dbraw/zinc/16/77/48/787167748.db2.gz KCZKPQREGNXCLC-SNVBAGLBSA-N 1 0 329.426 -1.330 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001132920499 787166757 /nfs/dbraw/zinc/16/67/57/787166757.db2.gz MGRFHRJDJVMEPH-JTQLQIEISA-N 1 0 344.441 -1.825 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001132920500 787167206 /nfs/dbraw/zinc/16/72/06/787167206.db2.gz MGRFHRJDJVMEPH-SNVBAGLBSA-N 1 0 344.441 -1.825 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)CC2 ZINC001132921105 787167409 /nfs/dbraw/zinc/16/74/09/787167409.db2.gz QLOLTAJIIULRQK-GXSJLCMTSA-N 1 0 334.380 -1.569 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)CC2 ZINC001132921106 787166781 /nfs/dbraw/zinc/16/67/81/787166781.db2.gz QLOLTAJIIULRQK-KOLCDFICSA-N 1 0 334.380 -1.569 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)CC2 ZINC001132921107 787167953 /nfs/dbraw/zinc/16/79/53/787167953.db2.gz QLOLTAJIIULRQK-MWLCHTKSSA-N 1 0 334.380 -1.569 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)CC2 ZINC001132921108 787167396 /nfs/dbraw/zinc/16/73/96/787167396.db2.gz QLOLTAJIIULRQK-ONGXEEELSA-N 1 0 334.380 -1.569 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132921441 787166611 /nfs/dbraw/zinc/16/66/11/787166611.db2.gz SCMRZDCADSDKEX-SECBINFHSA-N 1 0 337.384 -1.919 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132921457 787166832 /nfs/dbraw/zinc/16/68/32/787166832.db2.gz SCMRZDCADSDKEX-VIFPVBQESA-N 1 0 337.384 -1.919 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)CC2 ZINC001132923402 787167380 /nfs/dbraw/zinc/16/73/80/787167380.db2.gz JZQOIKXULULCGF-LLVKDONJSA-N 1 0 348.407 -1.225 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)CC2 ZINC001132923403 787166981 /nfs/dbraw/zinc/16/69/81/787166981.db2.gz JZQOIKXULULCGF-NSHDSACASA-N 1 0 348.407 -1.225 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)NC(N)=O ZINC001132923461 787167732 /nfs/dbraw/zinc/16/77/32/787167732.db2.gz LWCFLDHPGNCTMO-BDAKNGLRSA-N 1 0 337.384 -1.791 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)NC(N)=O ZINC001132923462 787166845 /nfs/dbraw/zinc/16/68/45/787166845.db2.gz LWCFLDHPGNCTMO-DTWKUNHWSA-N 1 0 337.384 -1.791 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)NC(N)=O ZINC001132923463 787167280 /nfs/dbraw/zinc/16/72/80/787167280.db2.gz LWCFLDHPGNCTMO-IUCAKERBSA-N 1 0 337.384 -1.791 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)NC(N)=O ZINC001132923464 787166939 /nfs/dbraw/zinc/16/69/39/787166939.db2.gz LWCFLDHPGNCTMO-RKDXNWHRSA-N 1 0 337.384 -1.791 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001132923867 787167428 /nfs/dbraw/zinc/16/74/28/787167428.db2.gz RJFCNAHSDBITQH-UHFFFAOYSA-N 1 0 349.351 -1.171 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001132923948 787167032 /nfs/dbraw/zinc/16/70/32/787167032.db2.gz UAFMJAJAKLPMFX-UHFFFAOYSA-N 1 0 335.324 -1.562 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)N1CCOCC1 ZINC001132924152 787166665 /nfs/dbraw/zinc/16/66/65/787166665.db2.gz XULFQYRWLPMCHZ-UHFFFAOYSA-N 1 0 348.363 -1.158 20 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CN(CC[NH2+]CCNC(=O)COc1cnn(C)c1)S(C)(=O)=O ZINC001132961169 787168874 /nfs/dbraw/zinc/16/88/74/787168874.db2.gz KLZLSFDHZMPUNS-UHFFFAOYSA-N 1 0 333.414 -1.604 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)cn1 ZINC001132961255 787168789 /nfs/dbraw/zinc/16/87/89/787168789.db2.gz MYVMCOWPMJBHOW-UHFFFAOYSA-N 1 0 338.368 -1.507 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)cn1 ZINC001132961433 787170035 /nfs/dbraw/zinc/17/00/35/787170035.db2.gz SZHPBQJECOKDCP-UHFFFAOYSA-N 1 0 345.425 -1.460 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)cn1 ZINC001132961504 787170430 /nfs/dbraw/zinc/17/04/30/787170430.db2.gz URVKBGGFTNMDRL-GFCCVEGCSA-N 1 0 339.396 -1.200 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)cn1 ZINC001132961508 787169934 /nfs/dbraw/zinc/16/99/34/787169934.db2.gz URVKBGGFTNMDRL-LBPRGKRZSA-N 1 0 339.396 -1.200 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132961520 787170881 /nfs/dbraw/zinc/17/08/81/787170881.db2.gz VBQUTKVLOINRMB-UHFFFAOYSA-N 1 0 340.384 -1.260 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132961600 787169954 /nfs/dbraw/zinc/16/99/54/787169954.db2.gz WMFBHQJXVOXEFR-UHFFFAOYSA-N 1 0 327.385 -1.343 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)cn1 ZINC001132961641 787170790 /nfs/dbraw/zinc/17/07/90/787170790.db2.gz XRHVECJZCQTFCJ-UHFFFAOYSA-N 1 0 339.396 -1.200 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001132961671 787170909 /nfs/dbraw/zinc/17/09/09/787170909.db2.gz YWHYKEVSLBBRFW-UHFFFAOYSA-N 1 0 338.368 -2.537 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132961676 787170563 /nfs/dbraw/zinc/17/05/63/787170563.db2.gz YYFGBALATOZNJY-UHFFFAOYSA-N 1 0 347.441 -1.166 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001132961789 787170547 /nfs/dbraw/zinc/17/05/47/787170547.db2.gz ZTTKDOYUDDSYDE-UHFFFAOYSA-N 1 0 325.369 -1.637 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)cn1 ZINC001132964143 787168540 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COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132964240 787168805 /nfs/dbraw/zinc/16/88/05/787168805.db2.gz GGRXCINSMSIDKG-QWHCGFSZSA-N 1 0 344.412 -1.083 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132964241 787168797 /nfs/dbraw/zinc/16/87/97/787168797.db2.gz GGRXCINSMSIDKG-STQMWFEESA-N 1 0 344.412 -1.083 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)COc2cnn(C)c2)CCO1 ZINC001132964264 787168937 /nfs/dbraw/zinc/16/89/37/787168937.db2.gz GZCUGMJBXSHHOT-GFCCVEGCSA-N 1 0 339.396 -1.248 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)COc2cnn(C)c2)CCO1 ZINC001132964265 787168958 /nfs/dbraw/zinc/16/89/58/787168958.db2.gz GZCUGMJBXSHHOT-LBPRGKRZSA-N 1 0 339.396 -1.248 20 0 EAADRO Cn1cc(OCC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)cn1 ZINC001132964314 787168690 /nfs/dbraw/zinc/16/86/90/787168690.db2.gz JJCOGTJBDDCFGG-UHFFFAOYSA-N 1 0 338.368 -1.553 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132964396 787168785 /nfs/dbraw/zinc/16/87/85/787168785.db2.gz 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CNC(=O)Cc1noc(CNCCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132994792 787170742 /nfs/dbraw/zinc/17/07/42/787170742.db2.gz BSSLYRFJVHVNMF-UHFFFAOYSA-N 1 0 338.412 -1.094 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001132996740 787170354 /nfs/dbraw/zinc/17/03/54/787170354.db2.gz AIZPIDLBNQNXAQ-SECBINFHSA-N 1 0 330.414 -1.520 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001132996742 787170707 /nfs/dbraw/zinc/17/07/07/787170707.db2.gz AIZPIDLBNQNXAQ-VIFPVBQESA-N 1 0 330.414 -1.520 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001132996859 787169906 /nfs/dbraw/zinc/16/99/06/787169906.db2.gz BISKLCAKHLCQIC-NEPJUHHUSA-N 1 0 341.412 -1.046 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001132996862 787169924 /nfs/dbraw/zinc/16/99/24/787169924.db2.gz BISKLCAKHLCQIC-NWDGAFQWSA-N 1 0 341.412 -1.046 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001132996864 787169877 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O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCc2nn[nH]c21 ZINC001132997692 787169903 /nfs/dbraw/zinc/16/99/03/787169903.db2.gz KLBHEVRGMVZDMG-SECBINFHSA-N 1 0 335.368 -1.518 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCc2nn[nH]c21 ZINC001132997695 787170852 /nfs/dbraw/zinc/17/08/52/787170852.db2.gz KLBHEVRGMVZDMG-VIFPVBQESA-N 1 0 335.368 -1.518 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001132998611 787170009 /nfs/dbraw/zinc/17/00/09/787170009.db2.gz VWWQOIKGWGVHOQ-BDAKNGLRSA-N 1 0 337.384 -1.226 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001132998613 787170889 /nfs/dbraw/zinc/17/08/89/787170889.db2.gz VWWQOIKGWGVHOQ-DTWKUNHWSA-N 1 0 337.384 -1.226 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001132998615 787170979 /nfs/dbraw/zinc/17/09/79/787170979.db2.gz VWWQOIKGWGVHOQ-IUCAKERBSA-N 1 0 337.384 -1.226 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001132998617 787170763 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/nfs/dbraw/zinc/17/05/94/787170594.db2.gz REXHPHHZRDDLCB-SECBINFHSA-N 1 0 337.384 -1.224 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001133001085 787170171 /nfs/dbraw/zinc/17/01/71/787170171.db2.gz REXHPHHZRDDLCB-VIFPVBQESA-N 1 0 337.384 -1.224 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21)S(C)(=O)=O ZINC001133001366 787169961 /nfs/dbraw/zinc/16/99/61/787169961.db2.gz YXRSXEJIRYOKQO-JTQLQIEISA-N 1 0 344.441 -1.178 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21)S(C)(=O)=O ZINC001133001367 787170218 /nfs/dbraw/zinc/17/02/18/787170218.db2.gz YXRSXEJIRYOKQO-SNVBAGLBSA-N 1 0 344.441 -1.178 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001133004732 787170899 /nfs/dbraw/zinc/17/08/99/787170899.db2.gz IVAWWLVFMTUKRM-LLVKDONJSA-N 1 0 336.396 -1.085 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001133004733 787170147 /nfs/dbraw/zinc/17/01/47/787170147.db2.gz IVAWWLVFMTUKRM-NSHDSACASA-N 1 0 336.396 -1.085 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2n[nH]cc2c1)N1CCNC(=O)C1 ZINC001133005018 787169897 /nfs/dbraw/zinc/16/98/97/787169897.db2.gz SBXMNPSAZQRUFH-UHFFFAOYSA-N 1 0 344.375 -1.159 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001133009685 787171620 /nfs/dbraw/zinc/17/16/20/787171620.db2.gz PAYVQTSPVQCRCI-JTQLQIEISA-N 1 0 343.409 -1.629 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001133009686 787172139 /nfs/dbraw/zinc/17/21/39/787172139.db2.gz PAYVQTSPVQCRCI-SNVBAGLBSA-N 1 0 343.409 -1.629 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009697 787171677 /nfs/dbraw/zinc/17/16/77/787171677.db2.gz PSPJACMDPXCQQV-UHFFFAOYSA-N 1 0 338.368 -1.286 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1c[nH]c(=O)cn1 ZINC001133009723 787171835 /nfs/dbraw/zinc/17/18/35/787171835.db2.gz QQVGGOYRROONRF-JTQLQIEISA-N 1 0 328.394 -1.086 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)c1c[nH]c(=O)cn1 ZINC001133009724 787171978 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EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCO)C1 ZINC001133011331 787171600 /nfs/dbraw/zinc/17/16/00/787171600.db2.gz INSCBQATXZGVLI-NEPJUHHUSA-N 1 0 336.458 -1.503 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCO)C1 ZINC001133011332 787171247 /nfs/dbraw/zinc/17/12/47/787171247.db2.gz INSCBQATXZGVLI-NWDGAFQWSA-N 1 0 336.458 -1.503 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCO)C1 ZINC001133011333 787171902 /nfs/dbraw/zinc/17/19/02/787171902.db2.gz INSCBQATXZGVLI-RYUDHWBXSA-N 1 0 336.458 -1.503 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCO)C1 ZINC001133011334 787171832 /nfs/dbraw/zinc/17/18/32/787171832.db2.gz INSCBQATXZGVLI-VXGBXAGGSA-N 1 0 336.458 -1.503 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@H]1C ZINC001133012259 787172028 /nfs/dbraw/zinc/17/20/28/787172028.db2.gz QCILHOXPADLQTK-GHMZBOCLSA-N 1 0 349.457 -2.140 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@H]1C ZINC001133012260 787171888 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EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCOC)C1 ZINC001133012634 787172042 /nfs/dbraw/zinc/17/20/42/787172042.db2.gz SIFXHZGXTZBLAT-VXGBXAGGSA-N 1 0 336.458 -1.239 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133013154 787171819 /nfs/dbraw/zinc/17/18/19/787171819.db2.gz YGJKFCXSCSEYGY-NXEZZACHSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133013155 787171781 /nfs/dbraw/zinc/17/17/81/787171781.db2.gz YGJKFCXSCSEYGY-UWVGGRQHSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133013156 787172152 /nfs/dbraw/zinc/17/21/52/787172152.db2.gz YGJKFCXSCSEYGY-VHSXEESVSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133013157 787171813 /nfs/dbraw/zinc/17/18/13/787171813.db2.gz YGJKFCXSCSEYGY-ZJUUUORDSA-N 1 0 335.430 -2.400 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1c[nH]c(=O)cn1)C(=O)NC[C@H]1CCCO1 ZINC001133013322 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20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016361 787172195 /nfs/dbraw/zinc/17/21/95/787172195.db2.gz VTBKHJOMSAXDGT-SNVBAGLBSA-N 1 0 325.369 -1.370 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016378 787171842 /nfs/dbraw/zinc/17/18/42/787171842.db2.gz WCKGFTBEIUCRNY-UHFFFAOYSA-N 1 0 338.368 -1.285 20 0 EAADRO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)c1c[nH]c(=O)cn1 ZINC001133016524 787171344 /nfs/dbraw/zinc/17/13/44/787171344.db2.gz ZMGGPCXRLVWTTC-UHFFFAOYSA-N 1 0 328.394 -1.086 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133026026 787171998 /nfs/dbraw/zinc/17/19/98/787171998.db2.gz IGMGYCMFPPIJJJ-PSASIEDQSA-N 1 0 337.384 -1.004 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133026027 787171762 /nfs/dbraw/zinc/17/17/62/787171762.db2.gz IGMGYCMFPPIJJJ-SCZZXKLOSA-N 1 0 337.384 -1.004 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133026028 787172166 /nfs/dbraw/zinc/17/21/66/787172166.db2.gz IGMGYCMFPPIJJJ-WCBMZHEXSA-N 1 0 337.384 -1.004 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133026029 787171273 /nfs/dbraw/zinc/17/12/73/787171273.db2.gz IGMGYCMFPPIJJJ-WPRPVWTQSA-N 1 0 337.384 -1.004 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]CCCO ZINC001133030907 787172144 /nfs/dbraw/zinc/17/21/44/787172144.db2.gz LHOGRCPJWJIQOI-KBPBESRZSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]CCCO ZINC001133030908 787172046 /nfs/dbraw/zinc/17/20/46/787172046.db2.gz LHOGRCPJWJIQOI-KGLIPLIRSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]CCCO ZINC001133030909 787171944 /nfs/dbraw/zinc/17/19/44/787171944.db2.gz LHOGRCPJWJIQOI-UONOGXRCSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]CCCO ZINC001133030910 787171529 /nfs/dbraw/zinc/17/15/29/787171529.db2.gz LHOGRCPJWJIQOI-ZIAGYGMSSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133031331 787171630 /nfs/dbraw/zinc/17/16/30/787171630.db2.gz PBTRRBHYBDDNIO-NEPJUHHUSA-N 1 0 325.413 -2.022 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001133031332 787172148 /nfs/dbraw/zinc/17/21/48/787172148.db2.gz PBTRRBHYBDDNIO-NWDGAFQWSA-N 1 0 325.413 -2.022 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133031333 787172131 /nfs/dbraw/zinc/17/21/31/787172131.db2.gz PBTRRBHYBDDNIO-RYUDHWBXSA-N 1 0 325.413 -2.022 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001133031334 787173296 /nfs/dbraw/zinc/17/32/96/787173296.db2.gz PBTRRBHYBDDNIO-VXGBXAGGSA-N 1 0 325.413 -2.022 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001133032025 787172814 /nfs/dbraw/zinc/17/28/14/787172814.db2.gz VFIBUGIZWQSSMD-CHWSQXEVSA-N 1 0 339.440 -1.762 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001133032036 787173471 /nfs/dbraw/zinc/17/34/71/787173471.db2.gz VFIBUGIZWQSSMD-OLZOCXBDSA-N 1 0 339.440 -1.762 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001133032038 787173173 /nfs/dbraw/zinc/17/31/73/787173173.db2.gz VFIBUGIZWQSSMD-QWHCGFSZSA-N 1 0 339.440 -1.762 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001133032039 787173195 /nfs/dbraw/zinc/17/31/95/787173195.db2.gz VFIBUGIZWQSSMD-STQMWFEESA-N 1 0 339.440 -1.762 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133034770 787171773 /nfs/dbraw/zinc/17/17/73/787171773.db2.gz FTADHUWCIUXKLD-BDAKNGLRSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133034771 787171365 /nfs/dbraw/zinc/17/13/65/787171365.db2.gz FTADHUWCIUXKLD-DTWKUNHWSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133034772 787171967 /nfs/dbraw/zinc/17/19/67/787171967.db2.gz FTADHUWCIUXKLD-IUCAKERBSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133034773 787171871 /nfs/dbraw/zinc/17/18/71/787171871.db2.gz FTADHUWCIUXKLD-RKDXNWHRSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CCOCCO ZINC001133034854 787171973 /nfs/dbraw/zinc/17/19/73/787171973.db2.gz GQUYCNDOTVFSNM-NEPJUHHUSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CCOCCO ZINC001133034855 787171482 /nfs/dbraw/zinc/17/14/82/787171482.db2.gz GQUYCNDOTVFSNM-NWDGAFQWSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CCOCCO ZINC001133034856 787171923 /nfs/dbraw/zinc/17/19/23/787171923.db2.gz GQUYCNDOTVFSNM-RYUDHWBXSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CCOCCO ZINC001133034857 787172161 /nfs/dbraw/zinc/17/21/61/787172161.db2.gz GQUYCNDOTVFSNM-VXGBXAGGSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001133035050 787171881 /nfs/dbraw/zinc/17/18/81/787171881.db2.gz IMQSRMLCBQDKNI-GHMZBOCLSA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001133035051 787171507 /nfs/dbraw/zinc/17/15/07/787171507.db2.gz IMQSRMLCBQDKNI-MNOVXSKESA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001133035052 787172171 /nfs/dbraw/zinc/17/21/71/787172171.db2.gz IMQSRMLCBQDKNI-QWRGUYRKSA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001133035053 787171878 /nfs/dbraw/zinc/17/18/78/787171878.db2.gz IMQSRMLCBQDKNI-WDEREUQCSA-N 1 0 344.441 -1.058 20 0 EAADRO CNC(=O)Cc1noc(CNCCNC(=O)CCC[NH+](C)C)n1 ZINC001133051972 787173057 /nfs/dbraw/zinc/17/30/57/787173057.db2.gz WVWOXSIYCVYVTG-UHFFFAOYSA-N 1 0 326.401 -1.094 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133076673 787173024 /nfs/dbraw/zinc/17/30/24/787173024.db2.gz CNTDOQDQDHSLQX-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133076674 787173474 /nfs/dbraw/zinc/17/34/74/787173474.db2.gz CNTDOQDQDHSLQX-MNOVXSKESA-N 1 0 341.412 -1.218 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133076675 787172688 /nfs/dbraw/zinc/17/26/88/787172688.db2.gz CNTDOQDQDHSLQX-QWRGUYRKSA-N 1 0 341.412 -1.218 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133076676 787173191 /nfs/dbraw/zinc/17/31/91/787173191.db2.gz CNTDOQDQDHSLQX-WDEREUQCSA-N 1 0 341.412 -1.218 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077149 787173186 /nfs/dbraw/zinc/17/31/86/787173186.db2.gz HLLRRTYLVJEKFQ-NEPJUHHUSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077150 787173245 /nfs/dbraw/zinc/17/32/45/787173245.db2.gz HLLRRTYLVJEKFQ-NWDGAFQWSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077151 787173031 /nfs/dbraw/zinc/17/30/31/787173031.db2.gz HLLRRTYLVJEKFQ-RYUDHWBXSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077152 787172840 /nfs/dbraw/zinc/17/28/40/787172840.db2.gz HLLRRTYLVJEKFQ-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077345 787173274 /nfs/dbraw/zinc/17/32/74/787173274.db2.gz JEBQDOJEZDHLNO-AAEUAGOBSA-N 1 0 328.413 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077346 787173223 /nfs/dbraw/zinc/17/32/23/787173223.db2.gz JEBQDOJEZDHLNO-DGCLKSJQSA-N 1 0 328.413 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077347 787173281 /nfs/dbraw/zinc/17/32/81/787173281.db2.gz JEBQDOJEZDHLNO-WCQYABFASA-N 1 0 328.413 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077348 787173129 /nfs/dbraw/zinc/17/31/29/787173129.db2.gz JEBQDOJEZDHLNO-YPMHNXCESA-N 1 0 328.413 -1.301 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001133077369 787173049 /nfs/dbraw/zinc/17/30/49/787173049.db2.gz JMOQRJKZHALCCT-NEPJUHHUSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001133077370 787172732 /nfs/dbraw/zinc/17/27/32/787172732.db2.gz JMOQRJKZHALCCT-NWDGAFQWSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001133077371 787173068 /nfs/dbraw/zinc/17/30/68/787173068.db2.gz JMOQRJKZHALCCT-RYUDHWBXSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001133077372 787173180 /nfs/dbraw/zinc/17/31/80/787173180.db2.gz JMOQRJKZHALCCT-VXGBXAGGSA-N 1 0 326.397 -1.595 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077409 787172790 /nfs/dbraw/zinc/17/27/90/787172790.db2.gz JZXRWCUATDTLME-NEPJUHHUSA-N 1 0 328.413 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077410 787172676 /nfs/dbraw/zinc/17/26/76/787172676.db2.gz JZXRWCUATDTLME-NWDGAFQWSA-N 1 0 328.413 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077411 787173001 /nfs/dbraw/zinc/17/30/01/787173001.db2.gz JZXRWCUATDTLME-RYUDHWBXSA-N 1 0 328.413 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077412 787172649 /nfs/dbraw/zinc/17/26/49/787172649.db2.gz JZXRWCUATDTLME-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077609 787173266 /nfs/dbraw/zinc/17/32/66/787173266.db2.gz LOHYTPFGMHFAFJ-NXEZZACHSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077610 787173201 /nfs/dbraw/zinc/17/32/01/787173201.db2.gz LOHYTPFGMHFAFJ-UWVGGRQHSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077611 787173006 /nfs/dbraw/zinc/17/30/06/787173006.db2.gz LOHYTPFGMHFAFJ-VHSXEESVSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077612 787173459 /nfs/dbraw/zinc/17/34/59/787173459.db2.gz LOHYTPFGMHFAFJ-ZJUUUORDSA-N 1 0 327.385 -1.608 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001133077865 787173575 /nfs/dbraw/zinc/17/35/75/787173575.db2.gz NVLRPEYTTOBKCV-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001133077866 787173116 /nfs/dbraw/zinc/17/31/16/787173116.db2.gz NVLRPEYTTOBKCV-MNOVXSKESA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001133077867 787173071 /nfs/dbraw/zinc/17/30/71/787173071.db2.gz NVLRPEYTTOBKCV-QWRGUYRKSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001133077868 787173380 /nfs/dbraw/zinc/17/33/80/787173380.db2.gz NVLRPEYTTOBKCV-WDEREUQCSA-N 1 0 334.442 -1.563 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077909 787172800 /nfs/dbraw/zinc/17/28/00/787172800.db2.gz OIDZYHOESMFNCN-NEPJUHHUSA-N 1 0 328.413 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077910 787172859 /nfs/dbraw/zinc/17/28/59/787172859.db2.gz OIDZYHOESMFNCN-NWDGAFQWSA-N 1 0 328.413 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077911 787173162 /nfs/dbraw/zinc/17/31/62/787173162.db2.gz OIDZYHOESMFNCN-RYUDHWBXSA-N 1 0 328.413 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077912 787173148 /nfs/dbraw/zinc/17/31/48/787173148.db2.gz OIDZYHOESMFNCN-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133078157 787172883 /nfs/dbraw/zinc/17/28/83/787172883.db2.gz QVHWBPRAFWNAAT-NXEZZACHSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133078158 787173229 /nfs/dbraw/zinc/17/32/29/787173229.db2.gz QVHWBPRAFWNAAT-UWVGGRQHSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133078159 787173563 /nfs/dbraw/zinc/17/35/63/787173563.db2.gz QVHWBPRAFWNAAT-VHSXEESVSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133078160 787173477 /nfs/dbraw/zinc/17/34/77/787173477.db2.gz QVHWBPRAFWNAAT-ZJUUUORDSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133078185 787172976 /nfs/dbraw/zinc/17/29/76/787172976.db2.gz RPQOGBWXDXSISK-GHMZBOCLSA-N 1 0 339.396 -2.496 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133078186 787173318 /nfs/dbraw/zinc/17/33/18/787173318.db2.gz RPQOGBWXDXSISK-MNOVXSKESA-N 1 0 339.396 -2.496 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133078187 787173418 /nfs/dbraw/zinc/17/34/18/787173418.db2.gz RPQOGBWXDXSISK-QWRGUYRKSA-N 1 0 339.396 -2.496 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133078188 787173210 /nfs/dbraw/zinc/17/32/10/787173210.db2.gz RPQOGBWXDXSISK-WDEREUQCSA-N 1 0 339.396 -2.496 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001133078229 787173449 /nfs/dbraw/zinc/17/34/49/787173449.db2.gz SEPUBVPNQDQGQO-GHMZBOCLSA-N 1 0 334.380 -1.025 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001133078230 787172851 /nfs/dbraw/zinc/17/28/51/787172851.db2.gz SEPUBVPNQDQGQO-MNOVXSKESA-N 1 0 334.380 -1.025 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001133078231 787172872 /nfs/dbraw/zinc/17/28/72/787172872.db2.gz SEPUBVPNQDQGQO-QWRGUYRKSA-N 1 0 334.380 -1.025 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001133078232 787173158 /nfs/dbraw/zinc/17/31/58/787173158.db2.gz SEPUBVPNQDQGQO-WDEREUQCSA-N 1 0 334.380 -1.025 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001133078469 787172825 /nfs/dbraw/zinc/17/28/25/787172825.db2.gz UVLUEILIOMCVBG-NEPJUHHUSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001133078470 787173389 /nfs/dbraw/zinc/17/33/89/787173389.db2.gz UVLUEILIOMCVBG-NWDGAFQWSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001133078471 787173509 /nfs/dbraw/zinc/17/35/09/787173509.db2.gz UVLUEILIOMCVBG-RYUDHWBXSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001133078472 787173337 /nfs/dbraw/zinc/17/33/37/787173337.db2.gz UVLUEILIOMCVBG-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133079045 787173013 /nfs/dbraw/zinc/17/30/13/787173013.db2.gz YKLKQHDICLGUPP-NXEZZACHSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133079046 787173207 /nfs/dbraw/zinc/17/32/07/787173207.db2.gz YKLKQHDICLGUPP-UWVGGRQHSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133079047 787173042 /nfs/dbraw/zinc/17/30/42/787173042.db2.gz YKLKQHDICLGUPP-VHSXEESVSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133079048 787173371 /nfs/dbraw/zinc/17/33/71/787173371.db2.gz YKLKQHDICLGUPP-ZJUUUORDSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001133079117 787173094 /nfs/dbraw/zinc/17/30/94/787173094.db2.gz ZLFOWKDOUIRQBV-GHMZBOCLSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001133079118 787173407 /nfs/dbraw/zinc/17/34/07/787173407.db2.gz ZLFOWKDOUIRQBV-MNOVXSKESA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001133079119 787173126 /nfs/dbraw/zinc/17/31/26/787173126.db2.gz ZLFOWKDOUIRQBV-QWRGUYRKSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001133079120 787173440 /nfs/dbraw/zinc/17/34/40/787173440.db2.gz ZLFOWKDOUIRQBV-WDEREUQCSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001133079121 787173429 /nfs/dbraw/zinc/17/34/29/787173429.db2.gz ZMFXMJYFRYKAMD-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001133079122 787173249 /nfs/dbraw/zinc/17/32/49/787173249.db2.gz ZMFXMJYFRYKAMD-UWVGGRQHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001133079123 787173537 /nfs/dbraw/zinc/17/35/37/787173537.db2.gz ZMFXMJYFRYKAMD-VHSXEESVSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001133079124 787173090 /nfs/dbraw/zinc/17/30/90/787173090.db2.gz ZMFXMJYFRYKAMD-ZJUUUORDSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001133079145 787173328 /nfs/dbraw/zinc/17/33/28/787173328.db2.gz ZXYISKIZDIBGLW-NEPJUHHUSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001133079146 787173232 /nfs/dbraw/zinc/17/32/32/787173232.db2.gz ZXYISKIZDIBGLW-NWDGAFQWSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001133079147 787173155 /nfs/dbraw/zinc/17/31/55/787173155.db2.gz ZXYISKIZDIBGLW-RYUDHWBXSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001133079148 787173238 /nfs/dbraw/zinc/17/32/38/787173238.db2.gz ZXYISKIZDIBGLW-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133079149 787173037 /nfs/dbraw/zinc/17/30/37/787173037.db2.gz ZZXMQUMWDZCPQN-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133079150 787172891 /nfs/dbraw/zinc/17/28/91/787172891.db2.gz ZZXMQUMWDZCPQN-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133079151 787172712 /nfs/dbraw/zinc/17/27/12/787172712.db2.gz ZZXMQUMWDZCPQN-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133079152 787173398 /nfs/dbraw/zinc/17/33/98/787173398.db2.gz ZZXMQUMWDZCPQN-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO CO[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133083195 787173121 /nfs/dbraw/zinc/17/31/21/787173121.db2.gz PZWIBZDGJMXWOW-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CO[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133083196 787173547 /nfs/dbraw/zinc/17/35/47/787173547.db2.gz PZWIBZDGJMXWOW-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CO[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133083197 787173521 /nfs/dbraw/zinc/17/35/21/787173521.db2.gz PZWIBZDGJMXWOW-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CO[C@H]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133083198 787172758 /nfs/dbraw/zinc/17/27/58/787172758.db2.gz PZWIBZDGJMXWOW-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001133084292 787172897 /nfs/dbraw/zinc/17/28/97/787172897.db2.gz QBCADMDYBRDQLO-NEPJUHHUSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001133084296 787174958 /nfs/dbraw/zinc/17/49/58/787174958.db2.gz QBCADMDYBRDQLO-NWDGAFQWSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001133084298 787174058 /nfs/dbraw/zinc/17/40/58/787174058.db2.gz QBCADMDYBRDQLO-RYUDHWBXSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001133084300 787174611 /nfs/dbraw/zinc/17/46/11/787174611.db2.gz QBCADMDYBRDQLO-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO COC1CCC(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001133086212 787174331 /nfs/dbraw/zinc/17/43/31/787174331.db2.gz WBSBBJWKGYYIHI-UHFFFAOYSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133087073 787175213 /nfs/dbraw/zinc/17/52/13/787175213.db2.gz JTMQRRSMUSMWTI-GHMZBOCLSA-N 1 0 334.442 -1.385 20 0 EAADRO C[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133087074 787175155 /nfs/dbraw/zinc/17/51/55/787175155.db2.gz JTMQRRSMUSMWTI-MNOVXSKESA-N 1 0 334.442 -1.385 20 0 EAADRO C[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133087075 787175181 /nfs/dbraw/zinc/17/51/81/787175181.db2.gz JTMQRRSMUSMWTI-QWRGUYRKSA-N 1 0 334.442 -1.385 20 0 EAADRO C[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133087076 787174372 /nfs/dbraw/zinc/17/43/72/787174372.db2.gz JTMQRRSMUSMWTI-WDEREUQCSA-N 1 0 334.442 -1.385 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1C ZINC001133087501 787174218 /nfs/dbraw/zinc/17/42/18/787174218.db2.gz PMNPKAOWKAIOOQ-NEPJUHHUSA-N 1 0 348.469 -1.125 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1C ZINC001133087502 787174976 /nfs/dbraw/zinc/17/49/76/787174976.db2.gz PMNPKAOWKAIOOQ-NWDGAFQWSA-N 1 0 348.469 -1.125 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1C ZINC001133087503 787174980 /nfs/dbraw/zinc/17/49/80/787174980.db2.gz PMNPKAOWKAIOOQ-RYUDHWBXSA-N 1 0 348.469 -1.125 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1C ZINC001133087504 787174832 /nfs/dbraw/zinc/17/48/32/787174832.db2.gz PMNPKAOWKAIOOQ-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO C[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C[NH2+]CCO ZINC001133112387 787174559 /nfs/dbraw/zinc/17/45/59/787174559.db2.gz FQBCVNCKKHNPMC-NXEZZACHSA-N 1 0 345.425 -1.263 20 0 EAADRO C[C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C[NH2+]CCO ZINC001133112388 787174696 /nfs/dbraw/zinc/17/46/96/787174696.db2.gz FQBCVNCKKHNPMC-UWVGGRQHSA-N 1 0 345.425 -1.263 20 0 EAADRO C[C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C[NH2+]CCO ZINC001133112389 787174619 /nfs/dbraw/zinc/17/46/19/787174619.db2.gz FQBCVNCKKHNPMC-VHSXEESVSA-N 1 0 345.425 -1.263 20 0 EAADRO C[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C[NH2+]CCO ZINC001133112390 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EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCc1ccc(F)cc1 ZINC001133115152 787175058 /nfs/dbraw/zinc/17/50/58/787175058.db2.gz HCPOSYWQCJHNET-GFCCVEGCSA-N 1 0 337.355 -1.171 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCc1ccc(F)cc1 ZINC001133115153 787174509 /nfs/dbraw/zinc/17/45/09/787174509.db2.gz HCPOSYWQCJHNET-LBPRGKRZSA-N 1 0 337.355 -1.171 20 0 EAADRO Cc1csc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133115196 787174849 /nfs/dbraw/zinc/17/48/49/787174849.db2.gz HVRLQIUTVFKMTA-MRVPVSSYSA-N 1 0 326.382 -1.223 20 0 EAADRO Cc1csc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133115197 787175185 /nfs/dbraw/zinc/17/51/85/787175185.db2.gz HVRLQIUTVFKMTA-QMMMGPOBSA-N 1 0 326.382 -1.223 20 0 EAADRO CS(=O)(=O)c1cccc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001133115242 787175298 /nfs/dbraw/zinc/17/52/98/787175298.db2.gz IQSIDENOKZBBSK-GFCCVEGCSA-N 1 0 340.405 -1.023 20 0 EAADRO CS(=O)(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001133115243 787175260 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CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001133115620 787175313 /nfs/dbraw/zinc/17/53/13/787175313.db2.gz QQNMRGUIHOIDPE-NXEZZACHSA-N 1 0 333.414 -2.345 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001133115680 787174231 /nfs/dbraw/zinc/17/42/31/787174231.db2.gz QQNMRGUIHOIDPE-UWVGGRQHSA-N 1 0 333.414 -2.345 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001133115681 787174424 /nfs/dbraw/zinc/17/44/24/787174424.db2.gz QQNMRGUIHOIDPE-VHSXEESVSA-N 1 0 333.414 -2.345 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001133115682 787174580 /nfs/dbraw/zinc/17/45/80/787174580.db2.gz QQNMRGUIHOIDPE-ZJUUUORDSA-N 1 0 333.414 -2.345 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001133115704 787174891 /nfs/dbraw/zinc/17/48/91/787174891.db2.gz QWSICWHSNDRCNJ-SSDOTTSWSA-N 1 0 327.370 -1.828 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001133115737 787175164 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O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@H]1CNC(=O)N1 ZINC001133115910 787174496 /nfs/dbraw/zinc/17/44/96/787174496.db2.gz SXENZRWCLRHRCY-JGVFFNPUSA-N 1 0 328.291 -1.687 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1CNC(=O)N1 ZINC001133115911 787174242 /nfs/dbraw/zinc/17/42/42/787174242.db2.gz SXENZRWCLRHRCY-SFYZADRCSA-N 1 0 328.291 -1.687 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@@H]1CNC(=O)N1 ZINC001133115913 787175231 /nfs/dbraw/zinc/17/52/31/787175231.db2.gz SXENZRWCLRHRCY-YUMQZZPRSA-N 1 0 328.291 -1.687 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115930 787176406 /nfs/dbraw/zinc/17/64/06/787176406.db2.gz TWYMLFKBWBCRGP-JTQLQIEISA-N 1 0 336.414 -2.175 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115932 787176314 /nfs/dbraw/zinc/17/63/14/787176314.db2.gz TWYMLFKBWBCRGP-SNVBAGLBSA-N 1 0 336.414 -2.175 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1nccs1 ZINC001133115941 787175781 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O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCCOc1ccccc1 ZINC001133116018 787176049 /nfs/dbraw/zinc/17/60/49/787176049.db2.gz VOIINIPVOXRBMV-CYBMUJFWSA-N 1 0 349.391 -1.431 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCCOc1ccccc1 ZINC001133116020 787176343 /nfs/dbraw/zinc/17/63/43/787176343.db2.gz VOIINIPVOXRBMV-ZDUSSCGKSA-N 1 0 349.391 -1.431 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCCc1cccs1 ZINC001133116040 787176628 /nfs/dbraw/zinc/17/66/28/787176628.db2.gz VVHUXQQMLDUSID-LLVKDONJSA-N 1 0 339.421 -1.206 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCCc1cccs1 ZINC001133116041 787175601 /nfs/dbraw/zinc/17/56/01/787175601.db2.gz VVHUXQQMLDUSID-NSHDSACASA-N 1 0 339.421 -1.206 20 0 EAADRO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)[C@H]1CNC(=O)N1 ZINC001133116056 787176525 /nfs/dbraw/zinc/17/65/25/787176525.db2.gz WCYQVDRWKCYAAV-SSDOTTSWSA-N 1 0 325.291 -1.558 20 0 EAADRO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1CNC(=O)N1 ZINC001133116059 787176423 /nfs/dbraw/zinc/17/64/23/787176423.db2.gz WCYQVDRWKCYAAV-ZETCQYMHSA-N 1 0 325.291 -1.558 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001133116202 787175949 /nfs/dbraw/zinc/17/59/49/787175949.db2.gz XMNJPZLFTPIJRY-JTQLQIEISA-N 1 0 340.384 -2.903 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001133116203 787176563 /nfs/dbraw/zinc/17/65/63/787176563.db2.gz XMNJPZLFTPIJRY-SNVBAGLBSA-N 1 0 340.384 -2.903 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCCc1ccccc1 ZINC001133116260 787176078 /nfs/dbraw/zinc/17/60/78/787176078.db2.gz YJOWCWHIZYGYRM-CYBMUJFWSA-N 1 0 333.392 -1.268 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCCc1ccccc1 ZINC001133116261 787175887 /nfs/dbraw/zinc/17/58/87/787175887.db2.gz YJOWCWHIZYGYRM-ZDUSSCGKSA-N 1 0 333.392 -1.268 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001133116282 787176633 /nfs/dbraw/zinc/17/66/33/787176633.db2.gz YSWJFISALWXIED-BDAKNGLRSA-N 1 0 342.400 -1.614 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001133116285 787176194 /nfs/dbraw/zinc/17/61/94/787176194.db2.gz YSWJFISALWXIED-DTWKUNHWSA-N 1 0 342.400 -1.614 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001133116287 787176395 /nfs/dbraw/zinc/17/63/95/787176395.db2.gz YSWJFISALWXIED-IUCAKERBSA-N 1 0 342.400 -1.614 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(=O)NC(C)(C)C ZINC001133116288 787176615 /nfs/dbraw/zinc/17/66/15/787176615.db2.gz YSWJFISALWXIED-RKDXNWHRSA-N 1 0 342.400 -1.614 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)cn1 ZINC001133117905 787175914 /nfs/dbraw/zinc/17/59/14/787175914.db2.gz ADAANMFOKDWWBO-GHMZBOCLSA-N 1 0 335.368 -2.087 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)cn1 ZINC001133117906 787175814 /nfs/dbraw/zinc/17/58/14/787175814.db2.gz ADAANMFOKDWWBO-MNOVXSKESA-N 1 0 335.368 -2.087 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)cn1 ZINC001133117907 787175643 /nfs/dbraw/zinc/17/56/43/787175643.db2.gz ADAANMFOKDWWBO-QWRGUYRKSA-N 1 0 335.368 -2.087 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)cn1 ZINC001133117908 787176199 /nfs/dbraw/zinc/17/61/99/787176199.db2.gz ADAANMFOKDWWBO-WDEREUQCSA-N 1 0 335.368 -2.087 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1CNC(=O)N1 ZINC001133118266 787176461 /nfs/dbraw/zinc/17/64/61/787176461.db2.gz HSSDREDYKSNJOT-BDAKNGLRSA-N 1 0 327.341 -3.117 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@H]1CNC(=O)N1 ZINC001133118269 787176503 /nfs/dbraw/zinc/17/65/03/787176503.db2.gz HSSDREDYKSNJOT-DTWKUNHWSA-N 1 0 327.341 -3.117 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1CNC(=O)N1 ZINC001133118271 787175628 /nfs/dbraw/zinc/17/56/28/787175628.db2.gz HSSDREDYKSNJOT-IUCAKERBSA-N 1 0 327.341 -3.117 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@H]1CNC(=O)N1 ZINC001133118273 787175714 /nfs/dbraw/zinc/17/57/14/787175714.db2.gz HSSDREDYKSNJOT-RKDXNWHRSA-N 1 0 327.341 -3.117 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)n1 ZINC001133118402 787176184 /nfs/dbraw/zinc/17/61/84/787176184.db2.gz JECZFEXBMUSPPX-NXEZZACHSA-N 1 0 335.368 -2.087 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)n1 ZINC001133118404 787176697 /nfs/dbraw/zinc/17/66/97/787176697.db2.gz JECZFEXBMUSPPX-UWVGGRQHSA-N 1 0 335.368 -2.087 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)n1 ZINC001133118406 787176716 /nfs/dbraw/zinc/17/67/16/787176716.db2.gz JECZFEXBMUSPPX-VHSXEESVSA-N 1 0 335.368 -2.087 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)n1 ZINC001133118408 787176587 /nfs/dbraw/zinc/17/65/87/787176587.db2.gz JECZFEXBMUSPPX-ZJUUUORDSA-N 1 0 335.368 -2.087 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)c1nccs1 ZINC001133118629 787176033 /nfs/dbraw/zinc/17/60/33/787176033.db2.gz PSZZQNWHIVTSAH-MRVPVSSYSA-N 1 0 326.382 -1.507 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)c1nccs1 ZINC001133118631 787176676 /nfs/dbraw/zinc/17/66/76/787176676.db2.gz PSZZQNWHIVTSAH-QMMMGPOBSA-N 1 0 326.382 -1.507 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001133118814 787176644 /nfs/dbraw/zinc/17/66/44/787176644.db2.gz UCDQHIBNOPRQQA-KGLIPLIRSA-N 1 0 336.392 -1.049 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCc1ccccc1)[C@H]1CNC(=O)N1 ZINC001133118821 787176692 /nfs/dbraw/zinc/17/66/92/787176692.db2.gz UCDQHIBNOPRQQA-ZIAGYGMSSA-N 1 0 336.392 -1.049 20 0 EAADRO CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133118996 787176097 /nfs/dbraw/zinc/17/60/97/787176097.db2.gz WERLKFQKEGGLGL-JTQLQIEISA-N 1 0 337.384 -1.381 20 0 EAADRO CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133118997 787176577 /nfs/dbraw/zinc/17/65/77/787176577.db2.gz WERLKFQKEGGLGL-SNVBAGLBSA-N 1 0 337.384 -1.381 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CNC(=O)N1 ZINC001133118998 787175765 /nfs/dbraw/zinc/17/57/65/787175765.db2.gz WGUYTMVZYNMKNH-HTQZYQBOSA-N 1 0 337.302 -1.463 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CNC(=O)N1 ZINC001133118999 787176799 /nfs/dbraw/zinc/17/67/99/787176799.db2.gz WGUYTMVZYNMKNH-JGVFFNPUSA-N 1 0 337.302 -1.463 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CNC(=O)N1 ZINC001133119000 787175835 /nfs/dbraw/zinc/17/58/35/787175835.db2.gz WGUYTMVZYNMKNH-SFYZADRCSA-N 1 0 337.302 -1.463 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CNC(=O)N1 ZINC001133119001 787176362 /nfs/dbraw/zinc/17/63/62/787176362.db2.gz WGUYTMVZYNMKNH-YUMQZZPRSA-N 1 0 337.302 -1.463 20 0 EAADRO Cc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001133119070 787176726 /nfs/dbraw/zinc/17/67/26/787176726.db2.gz ZBPLZXPTZCDDOQ-CYBMUJFWSA-N 1 0 333.392 -1.002 20 0 EAADRO Cc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001133119071 787176660 /nfs/dbraw/zinc/17/66/60/787176660.db2.gz ZBPLZXPTZCDDOQ-ZDUSSCGKSA-N 1 0 333.392 -1.002 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133120648 787176331 /nfs/dbraw/zinc/17/63/31/787176331.db2.gz AFTXMADVBKAFCK-BDAKNGLRSA-N 1 0 328.373 -3.034 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133120649 787176745 /nfs/dbraw/zinc/17/67/45/787176745.db2.gz AFTXMADVBKAFCK-DTWKUNHWSA-N 1 0 328.373 -3.034 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133120650 787176206 /nfs/dbraw/zinc/17/62/06/787176206.db2.gz AFTXMADVBKAFCK-IUCAKERBSA-N 1 0 328.373 -3.034 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133120651 787176108 /nfs/dbraw/zinc/17/61/08/787176108.db2.gz AFTXMADVBKAFCK-RKDXNWHRSA-N 1 0 328.373 -3.034 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120658 787176136 /nfs/dbraw/zinc/17/61/36/787176136.db2.gz ASUJCLWLKULNTH-BDAKNGLRSA-N 1 0 344.372 -2.766 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120659 787176752 /nfs/dbraw/zinc/17/67/52/787176752.db2.gz ASUJCLWLKULNTH-DTWKUNHWSA-N 1 0 344.372 -2.766 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120660 787176250 /nfs/dbraw/zinc/17/62/50/787176250.db2.gz ASUJCLWLKULNTH-IUCAKERBSA-N 1 0 344.372 -2.766 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120661 787176062 /nfs/dbraw/zinc/17/60/62/787176062.db2.gz ASUJCLWLKULNTH-RKDXNWHRSA-N 1 0 344.372 -2.766 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120673 787176085 /nfs/dbraw/zinc/17/60/85/787176085.db2.gz AXIQJWCLWPFXST-GHMZBOCLSA-N 1 0 329.401 -1.695 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120674 787176771 /nfs/dbraw/zinc/17/67/71/787176771.db2.gz AXIQJWCLWPFXST-MNOVXSKESA-N 1 0 329.401 -1.695 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120675 787176383 /nfs/dbraw/zinc/17/63/83/787176383.db2.gz AXIQJWCLWPFXST-QWRGUYRKSA-N 1 0 329.401 -1.695 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120676 787176145 /nfs/dbraw/zinc/17/61/45/787176145.db2.gz AXIQJWCLWPFXST-WDEREUQCSA-N 1 0 329.401 -1.695 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120696 787175793 /nfs/dbraw/zinc/17/57/93/787175793.db2.gz BVWIVVNBWDSHJT-GFCCVEGCSA-N 1 0 343.428 -1.448 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120697 787176467 /nfs/dbraw/zinc/17/64/67/787176467.db2.gz BVWIVVNBWDSHJT-LBPRGKRZSA-N 1 0 343.428 -1.448 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133120721 787176354 /nfs/dbraw/zinc/17/63/54/787176354.db2.gz COJPRBJHZOBJGL-MRVPVSSYSA-N 1 0 326.357 -2.296 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133120722 787176215 /nfs/dbraw/zinc/17/62/15/787176215.db2.gz COJPRBJHZOBJGL-QMMMGPOBSA-N 1 0 326.357 -2.296 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCCc1ccsc1 ZINC001133120877 787175823 /nfs/dbraw/zinc/17/58/23/787175823.db2.gz DFLOEBUPIXFJIM-LLVKDONJSA-N 1 0 339.421 -1.206 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCCc1ccsc1 ZINC001133120879 787175742 /nfs/dbraw/zinc/17/57/42/787175742.db2.gz DFLOEBUPIXFJIM-NSHDSACASA-N 1 0 339.421 -1.206 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)n(C)n1 ZINC001133120898 787176707 /nfs/dbraw/zinc/17/67/07/787176707.db2.gz DMBDKHVWIJJOOZ-GHMZBOCLSA-N 1 0 349.395 -1.779 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)n(C)n1 ZINC001133120903 787175980 /nfs/dbraw/zinc/17/59/80/787175980.db2.gz DMBDKHVWIJJOOZ-MNOVXSKESA-N 1 0 349.395 -1.779 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)n(C)n1 ZINC001133120906 787176172 /nfs/dbraw/zinc/17/61/72/787176172.db2.gz DMBDKHVWIJJOOZ-QWRGUYRKSA-N 1 0 349.395 -1.779 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)n(C)n1 ZINC001133120910 787176517 /nfs/dbraw/zinc/17/65/17/787176517.db2.gz DMBDKHVWIJJOOZ-WDEREUQCSA-N 1 0 349.395 -1.779 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121024 787175573 /nfs/dbraw/zinc/17/55/73/787175573.db2.gz GAJRCVYQGOJSKB-LLVKDONJSA-N 1 0 329.401 -1.695 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121025 787176223 /nfs/dbraw/zinc/17/62/23/787176223.db2.gz GAJRCVYQGOJSKB-NSHDSACASA-N 1 0 329.401 -1.695 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121033 787176733 /nfs/dbraw/zinc/17/67/33/787176733.db2.gz GGPWFMQVDGKTPT-JTQLQIEISA-N 1 0 337.384 -1.637 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121034 787175846 /nfs/dbraw/zinc/17/58/46/787175846.db2.gz GGPWFMQVDGKTPT-SNVBAGLBSA-N 1 0 337.384 -1.637 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121175 787176684 /nfs/dbraw/zinc/17/66/84/787176684.db2.gz HFFHXNWVFORCAM-BDAKNGLRSA-N 1 0 328.373 -2.004 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121176 787175966 /nfs/dbraw/zinc/17/59/66/787175966.db2.gz HFFHXNWVFORCAM-DTWKUNHWSA-N 1 0 328.373 -2.004 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121177 787176551 /nfs/dbraw/zinc/17/65/51/787176551.db2.gz HFFHXNWVFORCAM-IUCAKERBSA-N 1 0 328.373 -2.004 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121178 787176826 /nfs/dbraw/zinc/17/68/26/787176826.db2.gz HFFHXNWVFORCAM-RKDXNWHRSA-N 1 0 328.373 -2.004 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121186 787175725 /nfs/dbraw/zinc/17/57/25/787175725.db2.gz HHUWVHFAYNBGHL-SSDOTTSWSA-N 1 0 325.291 -1.606 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121187 787176536 /nfs/dbraw/zinc/17/65/36/787176536.db2.gz HHUWVHFAYNBGHL-ZETCQYMHSA-N 1 0 325.291 -1.606 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001133121206 787176813 /nfs/dbraw/zinc/17/68/13/787176813.db2.gz HRQZWYFXNGBQSV-NXEZZACHSA-N 1 0 340.384 -2.903 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001133121207 787175613 /nfs/dbraw/zinc/17/56/13/787175613.db2.gz HRQZWYFXNGBQSV-UWVGGRQHSA-N 1 0 340.384 -2.903 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001133121208 787178483 /nfs/dbraw/zinc/17/84/83/787178483.db2.gz HRQZWYFXNGBQSV-VHSXEESVSA-N 1 0 340.384 -2.903 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001133121209 787178570 /nfs/dbraw/zinc/17/85/70/787178570.db2.gz HRQZWYFXNGBQSV-ZJUUUORDSA-N 1 0 340.384 -2.903 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)N1CCc2ccccc21 ZINC001133121431 787177764 /nfs/dbraw/zinc/17/77/64/787177764.db2.gz IRNQPZMCQXILLR-GFCCVEGCSA-N 1 0 331.376 -1.037 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)N1CCc2ccccc21 ZINC001133121432 787178163 /nfs/dbraw/zinc/17/81/63/787178163.db2.gz IRNQPZMCQXILLR-LBPRGKRZSA-N 1 0 331.376 -1.037 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121515 787178582 /nfs/dbraw/zinc/17/85/82/787178582.db2.gz JQJFDLOGZMVXNL-JTQLQIEISA-N 1 0 342.400 -2.642 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121516 787177568 /nfs/dbraw/zinc/17/75/68/787177568.db2.gz JQJFDLOGZMVXNL-SNVBAGLBSA-N 1 0 342.400 -2.642 20 0 EAADRO COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001133121632 787177642 /nfs/dbraw/zinc/17/76/42/787177642.db2.gz KKMXWVIENMRPRH-CYBMUJFWSA-N 1 0 349.391 -1.301 20 0 EAADRO COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001133121633 787178040 /nfs/dbraw/zinc/17/80/40/787178040.db2.gz KKMXWVIENMRPRH-ZDUSSCGKSA-N 1 0 349.391 -1.301 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001133121640 787177867 /nfs/dbraw/zinc/17/78/67/787177867.db2.gz KMUIDDRCROTSNB-LLVKDONJSA-N 1 0 340.384 -2.936 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001133121643 787178110 /nfs/dbraw/zinc/17/81/10/787178110.db2.gz KMUIDDRCROTSNB-NSHDSACASA-N 1 0 340.384 -2.936 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)n1 ZINC001133121658 787178289 /nfs/dbraw/zinc/17/82/89/787178289.db2.gz KXAHHOYCDCBJDZ-GHMZBOCLSA-N 1 0 349.395 -1.697 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)n1 ZINC001133121662 787178438 /nfs/dbraw/zinc/17/84/38/787178438.db2.gz KXAHHOYCDCBJDZ-MNOVXSKESA-N 1 0 349.395 -1.697 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)n1 ZINC001133121663 787177474 /nfs/dbraw/zinc/17/74/74/787177474.db2.gz KXAHHOYCDCBJDZ-QWRGUYRKSA-N 1 0 349.395 -1.697 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)n1 ZINC001133121665 787177660 /nfs/dbraw/zinc/17/76/60/787177660.db2.gz KXAHHOYCDCBJDZ-WDEREUQCSA-N 1 0 349.395 -1.697 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCc1ccccc1F ZINC001133121719 787177895 /nfs/dbraw/zinc/17/78/95/787177895.db2.gz LXVNGWDKEIZQIJ-GFCCVEGCSA-N 1 0 337.355 -1.171 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCc1ccccc1F ZINC001133121720 787177515 /nfs/dbraw/zinc/17/75/15/787177515.db2.gz LXVNGWDKEIZQIJ-LBPRGKRZSA-N 1 0 337.355 -1.171 20 0 EAADRO Cc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121729 787177404 /nfs/dbraw/zinc/17/74/04/787177404.db2.gz MDLQPNXYTOORHC-CYBMUJFWSA-N 1 0 333.392 -1.002 20 0 EAADRO Cc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121730 787177672 /nfs/dbraw/zinc/17/76/72/787177672.db2.gz MDLQPNXYTOORHC-ZDUSSCGKSA-N 1 0 333.392 -1.002 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121868 787177608 /nfs/dbraw/zinc/17/76/08/787177608.db2.gz NFQFAJJQMGSFRH-SECBINFHSA-N 1 0 328.373 -2.001 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121869 787177774 /nfs/dbraw/zinc/17/77/74/787177774.db2.gz NFQFAJJQMGSFRH-VIFPVBQESA-N 1 0 328.373 -2.001 20 0 EAADRO Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)cc1 ZINC001133121901 787177909 /nfs/dbraw/zinc/17/79/09/787177909.db2.gz OGQHZLYBPAQYTD-CYBMUJFWSA-N 1 0 333.392 -1.002 20 0 EAADRO Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001133121902 787178492 /nfs/dbraw/zinc/17/84/92/787178492.db2.gz OGQHZLYBPAQYTD-ZDUSSCGKSA-N 1 0 333.392 -1.002 20 0 EAADRO Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001133121919 787177969 /nfs/dbraw/zinc/17/79/69/787177969.db2.gz OXPAEDYLTCCPPK-GFCCVEGCSA-N 1 0 337.380 -1.066 20 0 EAADRO Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001133121920 787178349 /nfs/dbraw/zinc/17/83/49/787178349.db2.gz OXPAEDYLTCCPPK-LBPRGKRZSA-N 1 0 337.380 -1.066 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COc1ccccc1F)[C@H]1CNC(=O)N1 ZINC001133122096 787178180 /nfs/dbraw/zinc/17/81/80/787178180.db2.gz QYPQVCJKRPWJLA-CMPLNLGQSA-N 1 0 340.355 -1.047 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COc1ccccc1F)[C@@H]1CNC(=O)N1 ZINC001133122097 787177825 /nfs/dbraw/zinc/17/78/25/787177825.db2.gz QYPQVCJKRPWJLA-JQWIXIFHSA-N 1 0 340.355 -1.047 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1F)[C@@H]1CNC(=O)N1 ZINC001133122098 787177490 /nfs/dbraw/zinc/17/74/90/787177490.db2.gz QYPQVCJKRPWJLA-PWSUYJOCSA-N 1 0 340.355 -1.047 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1F)[C@H]1CNC(=O)N1 ZINC001133122099 787178000 /nfs/dbraw/zinc/17/80/00/787178000.db2.gz QYPQVCJKRPWJLA-ZYHUDNBSSA-N 1 0 340.355 -1.047 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@H]1CNC(=O)N1 ZINC001133122324 787177310 /nfs/dbraw/zinc/17/73/10/787177310.db2.gz SRJZUKRESNRMSE-CMPLNLGQSA-N 1 0 330.385 -2.070 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1CNC(=O)N1 ZINC001133122330 787177352 /nfs/dbraw/zinc/17/73/52/787177352.db2.gz SRJZUKRESNRMSE-JQWIXIFHSA-N 1 0 330.385 -2.070 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1CNC(=O)N1 ZINC001133122331 787178052 /nfs/dbraw/zinc/17/80/52/787178052.db2.gz SRJZUKRESNRMSE-PWSUYJOCSA-N 1 0 330.385 -2.070 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1CNC(=O)N1 ZINC001133122333 787177362 /nfs/dbraw/zinc/17/73/62/787177362.db2.gz SRJZUKRESNRMSE-ZYHUDNBSSA-N 1 0 330.385 -2.070 20 0 EAADRO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)cc1 ZINC001133122355 787177716 /nfs/dbraw/zinc/17/77/16/787177716.db2.gz SVWVYZURQUKJDV-CYBMUJFWSA-N 1 0 349.391 -1.301 20 0 EAADRO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001133122357 787177294 /nfs/dbraw/zinc/17/72/94/787177294.db2.gz SVWVYZURQUKJDV-ZDUSSCGKSA-N 1 0 349.391 -1.301 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001133122371 787178024 /nfs/dbraw/zinc/17/80/24/787178024.db2.gz TUBZQERFFNYYDX-APPZFPTMSA-N 1 0 326.357 -2.250 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001133122375 787178221 /nfs/dbraw/zinc/17/82/21/787178221.db2.gz TUBZQERFFNYYDX-CBAPKCEASA-N 1 0 326.357 -2.250 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001133122377 787177707 /nfs/dbraw/zinc/17/77/07/787177707.db2.gz TUBZQERFFNYYDX-IONNQARKSA-N 1 0 326.357 -2.250 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001133122379 787178062 /nfs/dbraw/zinc/17/80/62/787178062.db2.gz TUBZQERFFNYYDX-VXNVDRBHSA-N 1 0 326.357 -2.250 20 0 EAADRO CC(C)n1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122380 787177832 /nfs/dbraw/zinc/17/78/32/787177832.db2.gz TVJSUWAJKCORHD-JTQLQIEISA-N 1 0 337.384 -1.210 20 0 EAADRO CC(C)n1nccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122381 787178545 /nfs/dbraw/zinc/17/85/45/787178545.db2.gz TVJSUWAJKCORHD-SNVBAGLBSA-N 1 0 337.384 -1.210 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCCC1 ZINC001133122392 787177983 /nfs/dbraw/zinc/17/79/83/787177983.db2.gz UAKJSOPZRSYFGC-JTQLQIEISA-N 1 0 340.384 -2.888 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCCC1 ZINC001133122394 787177264 /nfs/dbraw/zinc/17/72/64/787177264.db2.gz UAKJSOPZRSYFGC-SNVBAGLBSA-N 1 0 340.384 -2.888 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001133122396 787177656 /nfs/dbraw/zinc/17/76/56/787177656.db2.gz UCDQHIBNOPRQQA-KBPBESRZSA-N 1 0 336.392 -1.049 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCc1ccccc1)[C@H]1CNC(=O)N1 ZINC001133122397 787178076 /nfs/dbraw/zinc/17/80/76/787178076.db2.gz UCDQHIBNOPRQQA-UONOGXRCSA-N 1 0 336.392 -1.049 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122421 787178556 /nfs/dbraw/zinc/17/85/56/787178556.db2.gz UXVBRLBFDOIZPF-NXEZZACHSA-N 1 0 342.400 -1.756 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122422 787177750 /nfs/dbraw/zinc/17/77/50/787177750.db2.gz UXVBRLBFDOIZPF-UWVGGRQHSA-N 1 0 342.400 -1.756 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122423 787177924 /nfs/dbraw/zinc/17/79/24/787177924.db2.gz UXVBRLBFDOIZPF-VHSXEESVSA-N 1 0 342.400 -1.756 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122424 787177846 /nfs/dbraw/zinc/17/78/46/787177846.db2.gz UXVBRLBFDOIZPF-ZJUUUORDSA-N 1 0 342.400 -1.756 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)cn1 ZINC001133122435 787177878 /nfs/dbraw/zinc/17/78/78/787177878.db2.gz VJPBCOGLRRIQQJ-NEPJUHHUSA-N 1 0 349.395 -1.697 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)cn1 ZINC001133122536 787178085 /nfs/dbraw/zinc/17/80/85/787178085.db2.gz VJPBCOGLRRIQQJ-NWDGAFQWSA-N 1 0 349.395 -1.697 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CNC(=O)N3)C2=O)cn1 ZINC001133122537 787178274 /nfs/dbraw/zinc/17/82/74/787178274.db2.gz VJPBCOGLRRIQQJ-RYUDHWBXSA-N 1 0 349.395 -1.697 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CNC(=O)N3)C2=O)cn1 ZINC001133122538 787177728 /nfs/dbraw/zinc/17/77/28/787177728.db2.gz VJPBCOGLRRIQQJ-VXGBXAGGSA-N 1 0 349.395 -1.697 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NCC(F)(F)F ZINC001133122829 787178008 /nfs/dbraw/zinc/17/80/08/787178008.db2.gz ZIYCTRWNCYOBHJ-BQBZGAKWSA-N 1 0 325.291 -1.559 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)NCC(F)(F)F ZINC001133122830 787177949 /nfs/dbraw/zinc/17/79/49/787177949.db2.gz ZIYCTRWNCYOBHJ-NKWVEPMBSA-N 1 0 325.291 -1.559 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)C(=O)NCC(F)(F)F ZINC001133122831 787177427 /nfs/dbraw/zinc/17/74/27/787177427.db2.gz ZIYCTRWNCYOBHJ-RNFRBKRXSA-N 1 0 325.291 -1.559 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NCC(F)(F)F ZINC001133122832 787177447 /nfs/dbraw/zinc/17/74/47/787177447.db2.gz ZIYCTRWNCYOBHJ-RQJHMYQMSA-N 1 0 325.291 -1.559 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133122897 787177620 /nfs/dbraw/zinc/17/76/20/787177620.db2.gz ZOFULFPKRXOUGS-SECBINFHSA-N 1 0 340.384 -1.906 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133122904 787177461 /nfs/dbraw/zinc/17/74/61/787177461.db2.gz ZOFULFPKRXOUGS-VIFPVBQESA-N 1 0 340.384 -1.906 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCc1ccco1)[C@H]1CNC(=O)N1 ZINC001133122906 787178463 /nfs/dbraw/zinc/17/84/63/787178463.db2.gz ZPZSLNJLFVOUEJ-CMPLNLGQSA-N 1 0 326.353 -1.456 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)COCc1ccco1)[C@@H]1CNC(=O)N1 ZINC001133122908 787178211 /nfs/dbraw/zinc/17/82/11/787178211.db2.gz ZPZSLNJLFVOUEJ-JQWIXIFHSA-N 1 0 326.353 -1.456 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCc1ccco1)[C@@H]1CNC(=O)N1 ZINC001133122910 787177744 /nfs/dbraw/zinc/17/77/44/787177744.db2.gz ZPZSLNJLFVOUEJ-PWSUYJOCSA-N 1 0 326.353 -1.456 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)COCc1ccco1)[C@H]1CNC(=O)N1 ZINC001133122912 787177561 /nfs/dbraw/zinc/17/75/61/787177561.db2.gz ZPZSLNJLFVOUEJ-ZYHUDNBSSA-N 1 0 326.353 -1.456 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)N1CCc2ccccc2C1 ZINC001133122946 787178515 /nfs/dbraw/zinc/17/85/15/787178515.db2.gz ZSPZLJUJFJZRST-AWEZNQCLSA-N 1 0 345.403 -1.042 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)N1CCc2ccccc2C1 ZINC001133122948 787177594 /nfs/dbraw/zinc/17/75/94/787177594.db2.gz ZSPZLJUJFJZRST-CQSZACIVSA-N 1 0 345.403 -1.042 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1Cc2ccccc21)N1CCNC(=O)C1 ZINC001133125481 787178529 /nfs/dbraw/zinc/17/85/29/787178529.db2.gz RLNFBQZRYVKANL-AWEZNQCLSA-N 1 0 330.388 -1.010 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1Cc2ccccc21)N1CCNC(=O)C1 ZINC001133125486 787178381 /nfs/dbraw/zinc/17/83/81/787178381.db2.gz RLNFBQZRYVKANL-CQSZACIVSA-N 1 0 330.388 -1.010 20 0 EAADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133137937 787177441 /nfs/dbraw/zinc/17/74/41/787177441.db2.gz AFEWQEJFVJHVJB-GHMZBOCLSA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133137938 787178103 /nfs/dbraw/zinc/17/81/03/787178103.db2.gz AFEWQEJFVJHVJB-MNOVXSKESA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133137939 787177819 /nfs/dbraw/zinc/17/78/19/787177819.db2.gz AFEWQEJFVJHVJB-QWRGUYRKSA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133137940 787177961 /nfs/dbraw/zinc/17/79/61/787177961.db2.gz AFEWQEJFVJHVJB-WDEREUQCSA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CCO ZINC001133137993 787177682 /nfs/dbraw/zinc/17/76/82/787177682.db2.gz BGBCNCQZOFJEEH-NEPJUHHUSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CCO ZINC001133137998 787177371 /nfs/dbraw/zinc/17/73/71/787177371.db2.gz BGBCNCQZOFJEEH-NWDGAFQWSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CCO ZINC001133138000 787177554 /nfs/dbraw/zinc/17/75/54/787177554.db2.gz BGBCNCQZOFJEEH-RYUDHWBXSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CCO ZINC001133138001 787177942 /nfs/dbraw/zinc/17/79/42/787177942.db2.gz BGBCNCQZOFJEEH-VXGBXAGGSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001133147412 787179923 /nfs/dbraw/zinc/17/99/23/787179923.db2.gz SMXNPCVFRDVZHP-GHMZBOCLSA-N 1 0 340.380 -1.527 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C[NH2+]CCO ZINC001133147413 787180008 /nfs/dbraw/zinc/18/00/08/787180008.db2.gz SMXNPCVFRDVZHP-MNOVXSKESA-N 1 0 340.380 -1.527 20 0 EAADRO C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C[NH2+]CCO ZINC001133147414 787179600 /nfs/dbraw/zinc/17/96/00/787179600.db2.gz SMXNPCVFRDVZHP-QWRGUYRKSA-N 1 0 340.380 -1.527 20 0 EAADRO C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001133147415 787179867 /nfs/dbraw/zinc/17/98/67/787179867.db2.gz SMXNPCVFRDVZHP-WDEREUQCSA-N 1 0 340.380 -1.527 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001133148125 787179976 /nfs/dbraw/zinc/17/99/76/787179976.db2.gz HBQDRUZSNDJLAK-UHFFFAOYSA-N 1 0 334.442 -1.323 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001133148184 787179908 /nfs/dbraw/zinc/17/99/08/787179908.db2.gz JIPZKEURMVNLRV-UHFFFAOYSA-N 1 0 349.438 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133148201 787179444 /nfs/dbraw/zinc/17/94/44/787179444.db2.gz KDPFZZJLQARIRE-UHFFFAOYSA-N 1 0 338.430 -2.086 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O)on1 ZINC001133148252 787179428 /nfs/dbraw/zinc/17/94/28/787179428.db2.gz MHGQOJLQFYTPCN-UHFFFAOYSA-N 1 0 347.397 -1.304 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133148313 787179788 /nfs/dbraw/zinc/17/97/88/787179788.db2.gz PDJJBBREUAJONK-UHFFFAOYSA-N 1 0 334.442 -1.371 20 0 EAADRO Cn1ccc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)cc1=O ZINC001133148401 787179188 /nfs/dbraw/zinc/17/91/88/787179188.db2.gz SNANIZRTXULSFK-UHFFFAOYSA-N 1 0 330.410 -1.340 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001133148419 787179295 /nfs/dbraw/zinc/17/92/95/787179295.db2.gz TWACDSURGHYNED-UHFFFAOYSA-N 1 0 348.347 -1.561 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001133148478 787179798 /nfs/dbraw/zinc/17/97/98/787179798.db2.gz XTXYFUAJPYGRIZ-UHFFFAOYSA-N 1 0 334.442 -1.227 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151504 787178450 /nfs/dbraw/zinc/17/84/50/787178450.db2.gz BHVBAFIENPANJU-UHFFFAOYSA-N 1 0 338.430 -2.086 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151530 787178298 /nfs/dbraw/zinc/17/82/98/787178298.db2.gz CDZHOCXYOYHOSB-LLVKDONJSA-N 1 0 336.458 -1.078 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151531 787177799 /nfs/dbraw/zinc/17/77/99/787177799.db2.gz CDZHOCXYOYHOSB-NSHDSACASA-N 1 0 336.458 -1.078 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)n1 ZINC001133151536 787177584 /nfs/dbraw/zinc/17/75/84/787177584.db2.gz CJMZLMPLPZDSJS-UHFFFAOYSA-N 1 0 331.398 -1.240 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001133151541 787178367 /nfs/dbraw/zinc/17/83/67/787178367.db2.gz CPVCAIZZFQFXPV-UHFFFAOYSA-N 1 0 336.414 -2.380 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151570 787177396 /nfs/dbraw/zinc/17/73/96/787177396.db2.gz DZWUTWLUGOAECI-UHFFFAOYSA-N 1 0 329.444 -1.804 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)nn1 ZINC001133151685 787178326 /nfs/dbraw/zinc/17/83/26/787178326.db2.gz FKJLEDXARPSXSH-UHFFFAOYSA-N 1 0 331.398 -1.240 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151696 787178123 /nfs/dbraw/zinc/17/81/23/787178123.db2.gz FVUHLUCFRZQGCB-UHFFFAOYSA-N 1 0 337.446 -1.532 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133151705 787178016 /nfs/dbraw/zinc/17/80/16/787178016.db2.gz GCQATCWMFWASKT-UHFFFAOYSA-N 1 0 349.413 -2.297 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133151729 787177529 /nfs/dbraw/zinc/17/75/29/787177529.db2.gz HEWXDTBLKOIJHO-UHFFFAOYSA-N 1 0 349.413 -3.281 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O)no1 ZINC001133151747 787179846 /nfs/dbraw/zinc/17/98/46/787179846.db2.gz HYTVBMLTDRWRAS-UHFFFAOYSA-N 1 0 347.397 -1.304 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133151843 787179969 /nfs/dbraw/zinc/17/99/69/787179969.db2.gz JYQXMDHUUCRHEE-UHFFFAOYSA-N 1 0 349.413 -2.251 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)n1 ZINC001133151885 787179202 /nfs/dbraw/zinc/17/92/02/787179202.db2.gz KJXNQHAEDYLMDQ-UHFFFAOYSA-N 1 0 331.398 -1.240 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001133151903 787179942 /nfs/dbraw/zinc/17/99/42/787179942.db2.gz LEMFVELJCSDILT-UHFFFAOYSA-N 1 0 346.409 -1.330 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151906 787179370 /nfs/dbraw/zinc/17/93/70/787179370.db2.gz LHGQPXNQYFIEQX-UHFFFAOYSA-N 1 0 337.402 -2.393 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151924 787179549 /nfs/dbraw/zinc/17/95/49/787179549.db2.gz MEAZHHKSYRDWTD-UHFFFAOYSA-N 1 0 330.432 -2.690 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001133151931 787179746 /nfs/dbraw/zinc/17/97/46/787179746.db2.gz MMXGLVLNRVHDNE-LLVKDONJSA-N 1 0 334.442 -1.323 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001133151932 787180017 /nfs/dbraw/zinc/18/00/17/787180017.db2.gz MMXGLVLNRVHDNE-NSHDSACASA-N 1 0 334.442 -1.323 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151970 787179494 /nfs/dbraw/zinc/17/94/94/787179494.db2.gz OGZVPMVFTSNGGJ-UHFFFAOYSA-N 1 0 336.458 -1.077 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133151972 787179832 /nfs/dbraw/zinc/17/98/32/787179832.db2.gz OKLRGMKCGYHCSY-UHFFFAOYSA-N 1 0 335.386 -2.687 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133152081 787179895 /nfs/dbraw/zinc/17/98/95/787179895.db2.gz PKGUIGPHXHBTFQ-UHFFFAOYSA-N 1 0 332.430 -1.119 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001133152102 787179771 /nfs/dbraw/zinc/17/97/71/787179771.db2.gz QELJYDJBLNHKJT-UHFFFAOYSA-N 1 0 344.397 -1.810 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001133152105 787179836 /nfs/dbraw/zinc/17/98/36/787179836.db2.gz QIISJFRPEBHXDQ-JTQLQIEISA-N 1 0 341.455 -1.804 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001133152106 787179276 /nfs/dbraw/zinc/17/92/76/787179276.db2.gz QIISJFRPEBHXDQ-SNVBAGLBSA-N 1 0 341.455 -1.804 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001133152115 787179563 /nfs/dbraw/zinc/17/95/63/787179563.db2.gz QRWKNLCQYMDXPE-JTQLQIEISA-N 1 0 330.414 -1.460 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001133152116 787179468 /nfs/dbraw/zinc/17/94/68/787179468.db2.gz QRWKNLCQYMDXPE-SNVBAGLBSA-N 1 0 330.414 -1.460 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001133152177 787178910 /nfs/dbraw/zinc/17/89/10/787178910.db2.gz UOWXMXFFBPIYPK-UHFFFAOYSA-N 1 0 334.442 -1.180 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133152314 787179326 /nfs/dbraw/zinc/17/93/26/787179326.db2.gz WSHDZYOYENBPFU-LLVKDONJSA-N 1 0 341.430 -2.215 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133152315 787179893 /nfs/dbraw/zinc/17/98/93/787179893.db2.gz WSHDZYOYENBPFU-NSHDSACASA-N 1 0 341.430 -2.215 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)CCCS(N)(=O)=O)n1 ZINC001133152326 787179862 /nfs/dbraw/zinc/17/98/62/787179862.db2.gz XCACDMZINKHRPE-UHFFFAOYSA-N 1 0 332.430 -1.331 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001133152337 787179871 /nfs/dbraw/zinc/17/98/71/787179871.db2.gz XNUXBMPASSGNQJ-GFCCVEGCSA-N 1 0 346.453 -1.086 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001133152338 787179809 /nfs/dbraw/zinc/17/98/09/787179809.db2.gz XNUXBMPASSGNQJ-LBPRGKRZSA-N 1 0 346.453 -1.086 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133152372 787179753 /nfs/dbraw/zinc/17/97/53/787179753.db2.gz YUYDBXNMJKKGLB-UHFFFAOYSA-N 1 0 344.459 -2.300 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCCS(N)(=O)=O)S(C)(=O)=O ZINC001133152385 787179957 /nfs/dbraw/zinc/17/99/57/787179957.db2.gz ZHHVBKVVRMRNMC-UHFFFAOYSA-N 1 0 344.459 -2.348 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133152394 787179533 /nfs/dbraw/zinc/17/95/33/787179533.db2.gz ZNGWKTXHDJCTQI-UHFFFAOYSA-N 1 0 338.430 -2.086 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C[NH2+]CCO ZINC001133155830 787179287 /nfs/dbraw/zinc/17/92/87/787179287.db2.gz VHMAJBUAEYXHJP-NEPJUHHUSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH2+]CCO ZINC001133155831 787179231 /nfs/dbraw/zinc/17/92/31/787179231.db2.gz VHMAJBUAEYXHJP-NWDGAFQWSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C[NH2+]CCO ZINC001133155832 787180012 /nfs/dbraw/zinc/18/00/12/787180012.db2.gz VHMAJBUAEYXHJP-RYUDHWBXSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH2+]CCO ZINC001133155833 787179589 /nfs/dbraw/zinc/17/95/89/787179589.db2.gz VHMAJBUAEYXHJP-VXGBXAGGSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C[NH2+]CCO ZINC001133155870 787179857 /nfs/dbraw/zinc/17/98/57/787179857.db2.gz VWUCFFDBYMHSGW-CHWSQXEVSA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C[NH2+]CCO ZINC001133155871 787179269 /nfs/dbraw/zinc/17/92/69/787179269.db2.gz VWUCFFDBYMHSGW-OLZOCXBDSA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C[NH2+]CCO ZINC001133155872 787179010 /nfs/dbraw/zinc/17/90/10/787179010.db2.gz VWUCFFDBYMHSGW-QWHCGFSZSA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C[NH2+]CCO ZINC001133155873 787179880 /nfs/dbraw/zinc/17/98/80/787179880.db2.gz VWUCFFDBYMHSGW-STQMWFEESA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@@H]1CCN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133159404 787179078 /nfs/dbraw/zinc/17/90/78/787179078.db2.gz SJLQLEFIEJNFPM-GHMZBOCLSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@@H]1CCN(C(=O)CC(=O)N(C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133159405 787179765 /nfs/dbraw/zinc/17/97/65/787179765.db2.gz SJLQLEFIEJNFPM-MNOVXSKESA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@H]1CCN(C(=O)CC(=O)N(C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133159406 787179782 /nfs/dbraw/zinc/17/97/82/787179782.db2.gz SJLQLEFIEJNFPM-QWRGUYRKSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@H]1CCN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133159407 787179714 /nfs/dbraw/zinc/17/97/14/787179714.db2.gz SJLQLEFIEJNFPM-WDEREUQCSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133162345 787179706 /nfs/dbraw/zinc/17/97/06/787179706.db2.gz LNGXDVIFANFOLJ-GHMZBOCLSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133162346 787179698 /nfs/dbraw/zinc/17/96/98/787179698.db2.gz LNGXDVIFANFOLJ-MNOVXSKESA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133162347 787179062 /nfs/dbraw/zinc/17/90/62/787179062.db2.gz LNGXDVIFANFOLJ-QWRGUYRKSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133162348 787179837 /nfs/dbraw/zinc/17/98/37/787179837.db2.gz LNGXDVIFANFOLJ-WDEREUQCSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O)C1CC1 ZINC001133163798 787179721 /nfs/dbraw/zinc/17/97/21/787179721.db2.gz AUFBGHHGWWJFOH-JTQLQIEISA-N 1 0 334.442 -1.324 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O)C1CC1 ZINC001133163799 787179570 /nfs/dbraw/zinc/17/95/70/787179570.db2.gz AUFBGHHGWWJFOH-SNVBAGLBSA-N 1 0 334.442 -1.324 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)cc1=O ZINC001133163841 787179653 /nfs/dbraw/zinc/17/96/53/787179653.db2.gz CYPBPDPBUIDFMD-UHFFFAOYSA-N 1 0 347.393 -1.077 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001133163844 787180023 /nfs/dbraw/zinc/18/00/23/787180023.db2.gz DDXBQIUPAXIENY-GFCCVEGCSA-N 1 0 337.442 -1.044 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001133163845 787179938 /nfs/dbraw/zinc/17/99/38/787179938.db2.gz DDXBQIUPAXIENY-LBPRGKRZSA-N 1 0 337.442 -1.044 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133163964 787179407 /nfs/dbraw/zinc/17/94/07/787179407.db2.gz IQWBLAVKFMAEAT-MRVPVSSYSA-N 1 0 337.402 -2.395 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133163965 787178869 /nfs/dbraw/zinc/17/88/69/787178869.db2.gz IQWBLAVKFMAEAT-QMMMGPOBSA-N 1 0 337.402 -2.395 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164036 787179351 /nfs/dbraw/zinc/17/93/51/787179351.db2.gz LJWNKPXHOTYCAQ-UHFFFAOYSA-N 1 0 343.471 -1.414 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001133164058 787179675 /nfs/dbraw/zinc/17/96/75/787179675.db2.gz MKGMMOGYPCTBSX-LLVKDONJSA-N 1 0 334.442 -1.230 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001133164059 787179243 /nfs/dbraw/zinc/17/92/43/787179243.db2.gz MKGMMOGYPCTBSX-NSHDSACASA-N 1 0 334.442 -1.230 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001133164067 787180763 /nfs/dbraw/zinc/18/07/63/787180763.db2.gz MPVAQAJBNFFPAF-UHFFFAOYSA-N 1 0 333.370 -1.612 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164094 787181518 /nfs/dbraw/zinc/18/15/18/787181518.db2.gz NUDCPYKQBBSIRE-LLVKDONJSA-N 1 0 336.458 -1.078 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164095 787181043 /nfs/dbraw/zinc/18/10/43/787181043.db2.gz NUDCPYKQBBSIRE-NSHDSACASA-N 1 0 336.458 -1.078 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O)C1CC1 ZINC001133164145 787181546 /nfs/dbraw/zinc/18/15/46/787181546.db2.gz PQWMSABONFKXEO-UHFFFAOYSA-N 1 0 334.442 -1.228 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001133164176 787181636 /nfs/dbraw/zinc/18/16/36/787181636.db2.gz RBPGPIQKUHATQI-UHFFFAOYSA-N 1 0 334.442 -1.227 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164279 787181661 /nfs/dbraw/zinc/18/16/61/787181661.db2.gz WQYWKQCSEKYECN-GFCCVEGCSA-N 1 0 339.458 -1.206 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164280 787181007 /nfs/dbraw/zinc/18/10/07/787181007.db2.gz WQYWKQCSEKYECN-LBPRGKRZSA-N 1 0 339.458 -1.206 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001133164281 787181267 /nfs/dbraw/zinc/18/12/67/787181267.db2.gz WSKLHOTXHQTQSD-UHFFFAOYSA-N 1 0 334.398 -2.090 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)CCCS(N)(=O)=O)CS(C)(=O)=O ZINC001133164308 787181123 /nfs/dbraw/zinc/18/11/23/787181123.db2.gz XUHDBOAQJKUGKL-JTQLQIEISA-N 1 0 343.471 -1.558 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)CCCS(N)(=O)=O)CS(C)(=O)=O ZINC001133164310 787180833 /nfs/dbraw/zinc/18/08/33/787180833.db2.gz XUHDBOAQJKUGKL-SNVBAGLBSA-N 1 0 343.471 -1.558 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001133164315 787180570 /nfs/dbraw/zinc/18/05/70/787180570.db2.gz XXSQHYCSKRSKTD-GFCCVEGCSA-N 1 0 337.442 -1.044 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001133164317 787180755 /nfs/dbraw/zinc/18/07/55/787180755.db2.gz XXSQHYCSKRSKTD-LBPRGKRZSA-N 1 0 337.442 -1.044 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001133164344 787181117 /nfs/dbraw/zinc/18/11/17/787181117.db2.gz YVXHABQXRPSCRG-LLVKDONJSA-N 1 0 333.414 -1.982 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001133164349 787180663 /nfs/dbraw/zinc/18/06/63/787180663.db2.gz YVXHABQXRPSCRG-NSHDSACASA-N 1 0 333.414 -1.982 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001133165459 787181030 /nfs/dbraw/zinc/18/10/30/787181030.db2.gz HNRIQDCBAIUKDC-CMPLNLGQSA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001133165460 787180555 /nfs/dbraw/zinc/18/05/55/787180555.db2.gz HNRIQDCBAIUKDC-JQWIXIFHSA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001133165461 787181217 /nfs/dbraw/zinc/18/12/17/787181217.db2.gz HNRIQDCBAIUKDC-PWSUYJOCSA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001133165462 787180876 /nfs/dbraw/zinc/18/08/76/787180876.db2.gz HNRIQDCBAIUKDC-ZYHUDNBSSA-N 1 0 338.408 -1.141 20 0 EAADRO C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C[NH2+]CCO ZINC001133168549 787181609 /nfs/dbraw/zinc/18/16/09/787181609.db2.gz AGBGDCHCJWJCQV-CHWSQXEVSA-N 1 0 338.408 -1.007 20 0 EAADRO C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C[NH2+]CCO ZINC001133168550 787180445 /nfs/dbraw/zinc/18/04/45/787180445.db2.gz AGBGDCHCJWJCQV-OLZOCXBDSA-N 1 0 338.408 -1.007 20 0 EAADRO C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C[NH2+]CCO ZINC001133168551 787180590 /nfs/dbraw/zinc/18/05/90/787180590.db2.gz AGBGDCHCJWJCQV-QWHCGFSZSA-N 1 0 338.408 -1.007 20 0 EAADRO C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C[NH2+]CCO ZINC001133168552 787181792 /nfs/dbraw/zinc/18/17/92/787181792.db2.gz AGBGDCHCJWJCQV-STQMWFEESA-N 1 0 338.408 -1.007 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001133173997 787179842 /nfs/dbraw/zinc/17/98/42/787179842.db2.gz JZCVGBAFFZBRMC-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001133173998 787179160 /nfs/dbraw/zinc/17/91/60/787179160.db2.gz JZCVGBAFFZBRMC-MNOVXSKESA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001133173999 787179223 /nfs/dbraw/zinc/17/92/23/787179223.db2.gz JZCVGBAFFZBRMC-QWRGUYRKSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001133174000 787179617 /nfs/dbraw/zinc/17/96/17/787179617.db2.gz JZCVGBAFFZBRMC-WDEREUQCSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]CCCO ZINC001133174227 787179417 /nfs/dbraw/zinc/17/94/17/787179417.db2.gz LOSSNPIZMXCDEK-NEPJUHHUSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]CCCO ZINC001133174229 787179818 /nfs/dbraw/zinc/17/98/18/787179818.db2.gz LOSSNPIZMXCDEK-NWDGAFQWSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]CCCO ZINC001133174230 787179123 /nfs/dbraw/zinc/17/91/23/787179123.db2.gz LOSSNPIZMXCDEK-RYUDHWBXSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]CCCO ZINC001133174233 787179361 /nfs/dbraw/zinc/17/93/61/787179361.db2.gz LOSSNPIZMXCDEK-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133174969 787179385 /nfs/dbraw/zinc/17/93/85/787179385.db2.gz SWJUKVSVBOUGCZ-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133174970 787179828 /nfs/dbraw/zinc/17/98/28/787179828.db2.gz SWJUKVSVBOUGCZ-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133174971 787179993 /nfs/dbraw/zinc/17/99/93/787179993.db2.gz SWJUKVSVBOUGCZ-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133174972 787180027 /nfs/dbraw/zinc/18/00/27/787180027.db2.gz SWJUKVSVBOUGCZ-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C ZINC001133181445 787181779 /nfs/dbraw/zinc/18/17/79/787181779.db2.gz BLTZAMKQECGYIH-NXEZZACHSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001133181446 787180607 /nfs/dbraw/zinc/18/06/07/787180607.db2.gz BLTZAMKQECGYIH-UWVGGRQHSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001133181447 787180703 /nfs/dbraw/zinc/18/07/03/787180703.db2.gz BLTZAMKQECGYIH-VHSXEESVSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C ZINC001133181448 787180722 /nfs/dbraw/zinc/18/07/22/787180722.db2.gz BLTZAMKQECGYIH-ZJUUUORDSA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133186071 787181001 /nfs/dbraw/zinc/18/10/01/787181001.db2.gz NLTXGDKRENVPEL-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133186072 787180978 /nfs/dbraw/zinc/18/09/78/787180978.db2.gz NLTXGDKRENVPEL-UWVGGRQHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133186073 787181060 /nfs/dbraw/zinc/18/10/60/787181060.db2.gz NLTXGDKRENVPEL-VHSXEESVSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133186074 787181626 /nfs/dbraw/zinc/18/16/26/787181626.db2.gz NLTXGDKRENVPEL-ZJUUUORDSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC(=O)NC(C)(C)C ZINC001133187355 787180987 /nfs/dbraw/zinc/18/09/87/787180987.db2.gz ARXMMFGMFPKWNI-SECBINFHSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC(=O)NC(C)(C)C ZINC001133187356 787181159 /nfs/dbraw/zinc/18/11/59/787181159.db2.gz ARXMMFGMFPKWNI-VIFPVBQESA-N 1 0 341.412 -1.030 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)s1 ZINC001133187680 787181103 /nfs/dbraw/zinc/18/11/03/787181103.db2.gz GEZWBWFRANDWMN-UHFFFAOYSA-N 1 0 326.382 -1.244 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC1 ZINC001133187705 787181090 /nfs/dbraw/zinc/18/10/90/787181090.db2.gz HMHYDHOTMYPLBK-MRVPVSSYSA-N 1 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/nfs/dbraw/zinc/18/13/93/787181393.db2.gz NMEBESFDLIMYFI-GFCCVEGCSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC001133188048 787181324 /nfs/dbraw/zinc/18/13/24/787181324.db2.gz NMEBESFDLIMYFI-LBPRGKRZSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)CC1 ZINC001133188082 787180634 /nfs/dbraw/zinc/18/06/34/787180634.db2.gz OYBNNOSFCGPZHN-UHFFFAOYSA-N 1 0 339.396 -1.274 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)C1 ZINC001133188833 787181595 /nfs/dbraw/zinc/18/15/95/787181595.db2.gz BGHWRPZWBFLQPX-JTQLQIEISA-N 1 0 339.396 -2.318 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)C1 ZINC001133188834 787181174 /nfs/dbraw/zinc/18/11/74/787181174.db2.gz BGHWRPZWBFLQPX-SNVBAGLBSA-N 1 0 339.396 -2.318 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC001133188836 787180516 /nfs/dbraw/zinc/18/05/16/787180516.db2.gz BIODGCOGDQLUAB-NEPJUHHUSA-N 1 0 329.397 -1.486 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC001133188837 787181015 /nfs/dbraw/zinc/18/10/15/787181015.db2.gz BIODGCOGDQLUAB-NWDGAFQWSA-N 1 0 329.397 -1.486 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC001133188838 787181207 /nfs/dbraw/zinc/18/12/07/787181207.db2.gz BIODGCOGDQLUAB-RYUDHWBXSA-N 1 0 329.397 -1.486 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC001133188839 787181350 /nfs/dbraw/zinc/18/13/50/787181350.db2.gz BIODGCOGDQLUAB-VXGBXAGGSA-N 1 0 329.397 -1.486 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001133188869 787180502 /nfs/dbraw/zinc/18/05/02/787180502.db2.gz BZQNKKIFGJWCGY-SECBINFHSA-N 1 0 326.353 -2.532 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001133188870 787181587 /nfs/dbraw/zinc/18/15/87/787181587.db2.gz BZQNKKIFGJWCGY-VIFPVBQESA-N 1 0 326.353 -2.532 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188876 787181051 /nfs/dbraw/zinc/18/10/51/787181051.db2.gz CGUPMIOJSBNOGN-UHFFFAOYSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC[C@H]1CCCO1 ZINC001133188889 787181311 /nfs/dbraw/zinc/18/13/11/787181311.db2.gz CVTNMBSLQSEUGD-GHMZBOCLSA-N 1 0 326.397 -1.359 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001133188890 787180908 /nfs/dbraw/zinc/18/09/08/787180908.db2.gz CVTNMBSLQSEUGD-MNOVXSKESA-N 1 0 326.397 -1.359 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001133188891 787181222 /nfs/dbraw/zinc/18/12/22/787181222.db2.gz CVTNMBSLQSEUGD-QWRGUYRKSA-N 1 0 326.397 -1.359 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC[C@H]1CCCO1 ZINC001133188892 787181575 /nfs/dbraw/zinc/18/15/75/787181575.db2.gz CVTNMBSLQSEUGD-WDEREUQCSA-N 1 0 326.397 -1.359 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188952 787181377 /nfs/dbraw/zinc/18/13/77/787181377.db2.gz GGFKXWBJNMJFEU-SECBINFHSA-N 1 0 327.385 -1.420 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188953 787181529 /nfs/dbraw/zinc/18/15/29/787181529.db2.gz GGFKXWBJNMJFEU-VIFPVBQESA-N 1 0 327.385 -1.420 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001133188960 787181196 /nfs/dbraw/zinc/18/11/96/787181196.db2.gz GMEPBKUXYZKEOF-UHFFFAOYSA-N 1 0 339.396 -2.352 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188989 787180900 /nfs/dbraw/zinc/18/09/00/787180900.db2.gz HPQAHEURQWLETP-UHFFFAOYSA-N 1 0 327.385 -1.416 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001133189043 787181669 /nfs/dbraw/zinc/18/16/69/787181669.db2.gz KITHGAULKZAPLK-LLVKDONJSA-N 1 0 329.397 -1.486 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001133189044 787181649 /nfs/dbraw/zinc/18/16/49/787181649.db2.gz KITHGAULKZAPLK-NSHDSACASA-N 1 0 329.397 -1.486 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189052 787181448 /nfs/dbraw/zinc/18/14/48/787181448.db2.gz KPJRJPRUPOJZDT-UHFFFAOYSA-N 1 0 335.426 -1.591 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001133189065 787180409 /nfs/dbraw/zinc/18/04/09/787180409.db2.gz KWBZDDBQDOORHQ-UHFFFAOYSA-N 1 0 339.396 -2.318 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001133189093 787180674 /nfs/dbraw/zinc/18/06/74/787180674.db2.gz LYGKGGWKNJAMID-MRVPVSSYSA-N 1 0 325.369 -1.666 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001133189094 787180928 /nfs/dbraw/zinc/18/09/28/787180928.db2.gz LYGKGGWKNJAMID-QMMMGPOBSA-N 1 0 325.369 -1.666 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189111 787180344 /nfs/dbraw/zinc/18/03/44/787180344.db2.gz MZSCWXRXRHNNPK-JTQLQIEISA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189112 787180691 /nfs/dbraw/zinc/18/06/91/787180691.db2.gz MZSCWXRXRHNNPK-SNVBAGLBSA-N 1 0 341.412 -1.172 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189142 787181095 /nfs/dbraw/zinc/18/10/95/787181095.db2.gz NYPQCEGTGPSPEW-UHFFFAOYSA-N 1 0 336.396 -1.053 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)cn1 ZINC001133189147 787180918 /nfs/dbraw/zinc/18/09/18/787180918.db2.gz OFFHWMNITHUTJW-GFCCVEGCSA-N 1 0 348.407 -1.113 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)cn1 ZINC001133189148 787180866 /nfs/dbraw/zinc/18/08/66/787180866.db2.gz OFFHWMNITHUTJW-LBPRGKRZSA-N 1 0 348.407 -1.113 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189167 787181457 /nfs/dbraw/zinc/18/14/57/787181457.db2.gz OUMDVKAYWLHUPP-UHFFFAOYSA-N 1 0 341.412 -2.058 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189175 787181561 /nfs/dbraw/zinc/18/15/61/787181561.db2.gz PELWYDRITLNMSG-UHFFFAOYSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)C[C@@H](C)O1 ZINC001133189196 787180839 /nfs/dbraw/zinc/18/08/39/787180839.db2.gz QCJAPQKAPHUORJ-GHMZBOCLSA-N 1 0 326.397 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)C[C@H](C)O1 ZINC001133189197 787181358 /nfs/dbraw/zinc/18/13/58/787181358.db2.gz QCJAPQKAPHUORJ-PHIMTYICSA-N 1 0 326.397 -1.407 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C(N)=O)CC2)C[C@H](C)O1 ZINC001133189198 787180458 /nfs/dbraw/zinc/18/04/58/787180458.db2.gz QCJAPQKAPHUORJ-QWRGUYRKSA-N 1 0 326.397 -1.407 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)cn1 ZINC001133189203 787180481 /nfs/dbraw/zinc/18/04/81/787180481.db2.gz QFVYZRXTXGDEET-LLVKDONJSA-N 1 0 334.380 -1.503 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)cn1 ZINC001133189204 787181021 /nfs/dbraw/zinc/18/10/21/787181021.db2.gz QFVYZRXTXGDEET-NSHDSACASA-N 1 0 334.380 -1.503 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)n(C)n1 ZINC001133189207 787181412 /nfs/dbraw/zinc/18/14/12/787181412.db2.gz QIZCDXPKNFLZAY-LLVKDONJSA-N 1 0 348.407 -1.195 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)n(C)n1 ZINC001133189308 787180949 /nfs/dbraw/zinc/18/09/49/787180949.db2.gz QIZCDXPKNFLZAY-NSHDSACASA-N 1 0 348.407 -1.195 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189367 787182258 /nfs/dbraw/zinc/18/22/58/787182258.db2.gz SPABAUTUUUKMJR-UHFFFAOYSA-N 1 0 327.385 -1.561 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)n1 ZINC001133189383 787182805 /nfs/dbraw/zinc/18/28/05/787182805.db2.gz UCCTWZUCTLCVLR-JTQLQIEISA-N 1 0 334.380 -1.503 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)n1 ZINC001133189384 787183183 /nfs/dbraw/zinc/18/31/83/787183183.db2.gz UCCTWZUCTLCVLR-SNVBAGLBSA-N 1 0 334.380 -1.503 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189626 787183102 /nfs/dbraw/zinc/18/31/02/787183102.db2.gz XRTBUEIXPDPIEG-UHFFFAOYSA-N 1 0 336.396 -1.650 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)n1 ZINC001133189790 787182369 /nfs/dbraw/zinc/18/23/69/787182369.db2.gz ZPZOIZKWYGGGGQ-LLVKDONJSA-N 1 0 348.407 -1.113 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)C3(C(N)=O)CC3)C2=O)n1 ZINC001133189792 787182298 /nfs/dbraw/zinc/18/22/98/787182298.db2.gz ZPZOIZKWYGGGGQ-NSHDSACASA-N 1 0 348.407 -1.113 20 0 EAADRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133192353 787182818 /nfs/dbraw/zinc/18/28/18/787182818.db2.gz FCCMAFVVGGLTBE-SECBINFHSA-N 1 0 335.364 -1.436 20 0 EAADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133192354 787182605 /nfs/dbraw/zinc/18/26/05/787182605.db2.gz FCCMAFVVGGLTBE-VIFPVBQESA-N 1 0 335.364 -1.436 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(N)=O)C(=O)NC(=O)NC1CCCCC1 ZINC001133192364 787183282 /nfs/dbraw/zinc/18/32/82/787183282.db2.gz FHTLORKOYVMMFF-SECBINFHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(N)=O)C(=O)NC(=O)NC1CCCCC1 ZINC001133192365 787183267 /nfs/dbraw/zinc/18/32/67/787183267.db2.gz FHTLORKOYVMMFF-VIFPVBQESA-N 1 0 327.385 -1.276 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133192368 787183089 /nfs/dbraw/zinc/18/30/89/787183089.db2.gz FLOHAXHMBMZDRN-UHFFFAOYSA-N 1 0 325.369 -1.712 20 0 EAADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133192530 787182968 /nfs/dbraw/zinc/18/29/68/787182968.db2.gz GYSXAESXMVCYDI-UHFFFAOYSA-N 1 0 328.394 -1.372 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001133192591 787182340 /nfs/dbraw/zinc/18/23/40/787182340.db2.gz HNJKWUOTQTUJPY-SECBINFHSA-N 1 0 327.385 -2.449 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001133192595 787183077 /nfs/dbraw/zinc/18/30/77/787183077.db2.gz HNJKWUOTQTUJPY-VIFPVBQESA-N 1 0 327.385 -2.449 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(N)=O)C(=O)NC(=O)NCC(F)(F)F ZINC001133192634 787183274 /nfs/dbraw/zinc/18/32/74/787183274.db2.gz IKEZFMRNMUTDLI-RXMQYKEDSA-N 1 0 327.263 -2.046 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(N)=O)C(=O)NC(=O)NCC(F)(F)F ZINC001133192635 787182635 /nfs/dbraw/zinc/18/26/35/787182635.db2.gz IKEZFMRNMUTDLI-YFKPBYRVSA-N 1 0 327.263 -2.046 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133193045 787182682 /nfs/dbraw/zinc/18/26/82/787182682.db2.gz MSQCGFNKHRKWTJ-SECBINFHSA-N 1 0 343.384 -2.182 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133193046 787183224 /nfs/dbraw/zinc/18/32/24/787183224.db2.gz MSQCGFNKHRKWTJ-VIFPVBQESA-N 1 0 343.384 -2.182 20 0 EAADRO NC(=O)C1(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)CC1 ZINC001133193065 787182727 /nfs/dbraw/zinc/18/27/27/787182727.db2.gz NIJAQHYNJQNODQ-UHFFFAOYSA-N 1 0 339.396 -2.304 20 0 EAADRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133193312 787183304 /nfs/dbraw/zinc/18/33/04/787183304.db2.gz OONILLNLDFEHKQ-UHFFFAOYSA-N 1 0 335.364 -1.482 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133193357 787183142 /nfs/dbraw/zinc/18/31/42/787183142.db2.gz QGWJIQUSRHWIMD-LLVKDONJSA-N 1 0 328.413 -1.111 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133193358 787183068 /nfs/dbraw/zinc/18/30/68/787183068.db2.gz QGWJIQUSRHWIMD-NSHDSACASA-N 1 0 328.413 -1.111 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NC(=O)Nc1ccccc1F ZINC001133193391 787183030 /nfs/dbraw/zinc/18/30/30/787183030.db2.gz RVRPQWRJYCGVGZ-UHFFFAOYSA-N 1 0 325.300 -1.335 20 0 EAADRO COc1ccc(NC(=O)NC(=O)C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133193498 787182512 /nfs/dbraw/zinc/18/25/12/787182512.db2.gz SERGOWMBWMOAAR-UHFFFAOYSA-N 1 0 337.336 -1.466 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133193515 787183204 /nfs/dbraw/zinc/18/32/04/787183204.db2.gz SYBPDPRWBSZCHR-UHFFFAOYSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(N)=O)C(=O)Nc1sccc1C(N)=O ZINC001133193529 787182877 /nfs/dbraw/zinc/18/28/77/787182877.db2.gz UIKROUVAPRYPEP-LURJTMIESA-N 1 0 327.366 -1.635 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(N)=O)C(=O)Nc1sccc1C(N)=O ZINC001133193530 787183158 /nfs/dbraw/zinc/18/31/58/787183158.db2.gz UIKROUVAPRYPEP-ZCFIWIBFSA-N 1 0 327.366 -1.635 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC001133193531 787183260 /nfs/dbraw/zinc/18/32/60/787183260.db2.gz UKADGGWTSHBAHI-UHFFFAOYSA-N 1 0 344.375 -1.320 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(N)=O)C(=O)NC(=O)NCc1ccccc1 ZINC001133193715 787183199 /nfs/dbraw/zinc/18/31/99/787183199.db2.gz YALVFKFLSQRBFY-JTQLQIEISA-N 1 0 335.364 -1.408 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(N)=O)C(=O)NC(=O)NCc1ccccc1 ZINC001133193716 787182620 /nfs/dbraw/zinc/18/26/20/787182620.db2.gz YALVFKFLSQRBFY-SNVBAGLBSA-N 1 0 335.364 -1.408 20 0 EAADRO CCNC(=O)c1cccc(NC(=O)C[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133193734 787182281 /nfs/dbraw/zinc/18/22/81/787182281.db2.gz YMGRSVVAYQGFSY-UHFFFAOYSA-N 1 0 335.364 -1.434 20 0 EAADRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133193774 787183190 /nfs/dbraw/zinc/18/31/90/787183190.db2.gz ZXNYKOWYKVZDRN-UHFFFAOYSA-N 1 0 335.364 -1.482 20 0 EAADRO CS(=O)(=O)N(CC[NH2+]CCNC(=O)C(N)=O)Cc1ccccc1 ZINC001133195366 787183167 /nfs/dbraw/zinc/18/31/67/787183167.db2.gz CZFAHNOHNLEGCI-UHFFFAOYSA-N 1 0 342.421 -1.361 20 0 EAADRO C[C@](O)(C[NH2+]CCNC(=O)C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC001133195631 787182587 /nfs/dbraw/zinc/18/25/87/787182587.db2.gz GKTXJYJTOFOOGA-AWEZNQCLSA-N 1 0 343.405 -1.511 20 0 EAADRO C[C@@](O)(C[NH2+]CCNC(=O)C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC001133195632 787182477 /nfs/dbraw/zinc/18/24/77/787182477.db2.gz GKTXJYJTOFOOGA-CQSZACIVSA-N 1 0 343.405 -1.511 20 0 EAADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133195924 787182977 /nfs/dbraw/zinc/18/29/77/787182977.db2.gz JEBKTGLBCQBSFZ-UHFFFAOYSA-N 1 0 328.394 -1.372 20 0 EAADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+]CCNC(=O)C(N)=O ZINC001133196473 787182737 /nfs/dbraw/zinc/18/27/37/787182737.db2.gz PRYMEDFIIRBYTH-UHFFFAOYSA-N 1 0 345.425 -1.764 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001133196854 787183239 /nfs/dbraw/zinc/18/32/39/787183239.db2.gz UNFWWNFVGQEHRX-SECBINFHSA-N 1 0 334.398 -2.787 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001133196855 787182830 /nfs/dbraw/zinc/18/28/30/787182830.db2.gz UNFWWNFVGQEHRX-VIFPVBQESA-N 1 0 334.398 -2.787 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NCCCOCc1ccccc1 ZINC001133197269 787182429 /nfs/dbraw/zinc/18/24/29/787182429.db2.gz YOPPWIWVYGYWBZ-UHFFFAOYSA-N 1 0 336.392 -1.099 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]1COc2ccccc2O1 ZINC001133198091 787183129 /nfs/dbraw/zinc/18/31/29/787183129.db2.gz JXHOSGDUZSHOEA-JTQLQIEISA-N 1 0 336.348 -1.866 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC001133198092 787183016 /nfs/dbraw/zinc/18/30/16/787183016.db2.gz JXHOSGDUZSHOEA-SNVBAGLBSA-N 1 0 336.348 -1.866 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(N)=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001133198124 787182775 /nfs/dbraw/zinc/18/27/75/787182775.db2.gz KWMQNJJNZDTNMT-BDAKNGLRSA-N 1 0 334.398 -2.789 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(N)=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001133198125 787182909 /nfs/dbraw/zinc/18/29/09/787182909.db2.gz KWMQNJJNZDTNMT-DTWKUNHWSA-N 1 0 334.398 -2.789 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(N)=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001133198126 787182669 /nfs/dbraw/zinc/18/26/69/787182669.db2.gz KWMQNJJNZDTNMT-IUCAKERBSA-N 1 0 334.398 -2.789 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(N)=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001133198127 787182379 /nfs/dbraw/zinc/18/23/79/787182379.db2.gz KWMQNJJNZDTNMT-RKDXNWHRSA-N 1 0 334.398 -2.789 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC001133198252 787182551 /nfs/dbraw/zinc/18/25/51/787182551.db2.gz OTEYVBWNPNVWTJ-UHFFFAOYSA-N 1 0 326.328 -1.488 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NCCOc1ccc(F)cc1 ZINC001133198262 787183338 /nfs/dbraw/zinc/18/33/38/787183338.db2.gz PHHRSGFBBZTEDN-UHFFFAOYSA-N 1 0 326.328 -1.488 20 0 EAADRO CS(=O)(=O)c1ccc(OCC[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133198287 787182928 /nfs/dbraw/zinc/18/29/28/787182928.db2.gz QJNQGIADVCKLEY-UHFFFAOYSA-N 1 0 329.378 -1.340 20 0 EAADRO CS(=O)(=O)c1cccc(OCC[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133198298 787183312 /nfs/dbraw/zinc/18/33/12/787183312.db2.gz QRFQCDUDHDFYTF-UHFFFAOYSA-N 1 0 329.378 -1.340 20 0 EAADRO COCCN(Cc1ccccc1)C(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133198320 787182703 /nfs/dbraw/zinc/18/27/03/787182703.db2.gz RPUOKIBSEUGBLY-UHFFFAOYSA-N 1 0 336.392 -1.147 20 0 EAADRO CN(CCOc1ccccc1F)C(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133198350 787182397 /nfs/dbraw/zinc/18/23/97/787182397.db2.gz UKRHIASGFBJCRO-UHFFFAOYSA-N 1 0 340.355 -1.146 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC001133198377 787183092 /nfs/dbraw/zinc/18/30/92/787183092.db2.gz VYNKMCXPGRSUIJ-UHFFFAOYSA-N 1 0 328.319 -1.185 20 0 EAADRO CS(=O)(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C(N)=O)CC1 ZINC001133198385 787183253 /nfs/dbraw/zinc/18/32/53/787183253.db2.gz WCOLQZZKEWWPDD-UHFFFAOYSA-N 1 0 335.386 -3.719 20 0 EAADRO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)C(N)=O)cc1OC ZINC001133199935 787181073 /nfs/dbraw/zinc/18/10/73/787181073.db2.gz BTLVXHBHSQERTE-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/18/11/54/787181154.db2.gz SWQTXYRAELEECR-LBPRGKRZSA-N 1 0 325.365 -1.236 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001133201412 787181235 /nfs/dbraw/zinc/18/12/35/787181235.db2.gz YVZTWUHDEMQMEZ-SECBINFHSA-N 1 0 336.348 -1.024 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001133201413 787181432 /nfs/dbraw/zinc/18/14/32/787181432.db2.gz YVZTWUHDEMQMEZ-VIFPVBQESA-N 1 0 336.348 -1.024 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NCCCN1CCCCCC1=O ZINC001133203363 787182270 /nfs/dbraw/zinc/18/22/70/787182270.db2.gz DOSKPXFJVIPUDM-UHFFFAOYSA-N 1 0 341.412 -1.914 20 0 EAADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133203383 787182859 /nfs/dbraw/zinc/18/28/59/787182859.db2.gz FKRWTBPPDBQWTJ-LLVKDONJSA-N 1 0 329.378 -1.685 20 0 EAADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133203384 787182229 /nfs/dbraw/zinc/18/22/29/787182229.db2.gz FKRWTBPPDBQWTJ-NSHDSACASA-N 1 0 329.378 -1.685 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001133203394 787183210 /nfs/dbraw/zinc/18/32/10/787183210.db2.gz FUOHZXTWHWZNHJ-UHFFFAOYSA-N 1 0 325.369 -2.742 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C(N)=O)C(=O)N1CCCCC1 ZINC001133203439 787182936 /nfs/dbraw/zinc/18/29/36/787182936.db2.gz HGHFANGUOMUXCW-JTQLQIEISA-N 1 0 327.385 -2.305 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C(N)=O)C(=O)N1CCCCC1 ZINC001133203440 787183230 /nfs/dbraw/zinc/18/32/30/787183230.db2.gz HGHFANGUOMUXCW-SNVBAGLBSA-N 1 0 327.385 -2.305 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2nonc2c1)N1CCNC(=O)C1 ZINC001133203458 787183136 /nfs/dbraw/zinc/18/31/36/787183136.db2.gz ILQMWPOWPDFQJB-UHFFFAOYSA-N 1 0 346.347 -1.499 20 0 EAADRO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133203598 787182947 /nfs/dbraw/zinc/18/29/47/787182947.db2.gz PEUBXWXGACKBDG-NXEZZACHSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133203599 787182850 /nfs/dbraw/zinc/18/28/50/787182850.db2.gz PEUBXWXGACKBDG-UWVGGRQHSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133203600 787182885 /nfs/dbraw/zinc/18/28/85/787182885.db2.gz PEUBXWXGACKBDG-VHSXEESVSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133203601 787183153 /nfs/dbraw/zinc/18/31/53/787183153.db2.gz PEUBXWXGACKBDG-ZJUUUORDSA-N 1 0 327.385 -1.418 20 0 EAADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133203668 787182411 /nfs/dbraw/zinc/18/24/11/787182411.db2.gz RXMMXZXFDPAOOU-GFCCVEGCSA-N 1 0 338.364 -1.424 20 0 EAADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133203669 787182918 /nfs/dbraw/zinc/18/29/18/787182918.db2.gz RXMMXZXFDPAOOU-LBPRGKRZSA-N 1 0 338.364 -1.424 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001133203866 787182456 /nfs/dbraw/zinc/18/24/56/787182456.db2.gz WTXXYPSVUBRXEL-UHFFFAOYSA-N 1 0 336.348 -1.023 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC001133204023 787183162 /nfs/dbraw/zinc/18/31/62/787183162.db2.gz YQNBMJPFUQYKSO-UHFFFAOYSA-N 1 0 327.366 -1.735 20 0 EAADRO CN(CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C(=O)c1ccccc1 ZINC001133206432 787182757 /nfs/dbraw/zinc/18/27/57/787182757.db2.gz QIXFZGBUQGMRJU-UHFFFAOYSA-N 1 0 335.364 -1.341 20 0 EAADRO COc1cccc(OCCNC(=O)C[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133206604 787183323 /nfs/dbraw/zinc/18/33/23/787183323.db2.gz ZFSIILAKGJUQSG-UHFFFAOYSA-N 1 0 338.364 -1.619 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133208012 787182715 /nfs/dbraw/zinc/18/27/15/787182715.db2.gz HSLBKLMZBYEYHU-NEPJUHHUSA-N 1 0 348.469 -1.173 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133208014 787183123 /nfs/dbraw/zinc/18/31/23/787183123.db2.gz HSLBKLMZBYEYHU-NWDGAFQWSA-N 1 0 348.469 -1.173 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133208015 787182839 /nfs/dbraw/zinc/18/28/39/787182839.db2.gz HSLBKLMZBYEYHU-RYUDHWBXSA-N 1 0 348.469 -1.173 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133208017 787183189 /nfs/dbraw/zinc/18/31/89/787183189.db2.gz HSLBKLMZBYEYHU-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)NCCCOc1ccccc1F ZINC001133208329 787182894 /nfs/dbraw/zinc/18/28/94/787182894.db2.gz GDJFBXZPUKGPQM-UHFFFAOYSA-N 1 0 340.355 -1.098 20 0 EAADRO CNC(=O)[C@H](NC(=O)C[NH2+]CCNC(=O)C(N)=O)c1ccccc1 ZINC001133208437 787184412 /nfs/dbraw/zinc/18/44/12/787184412.db2.gz HWFLKJUASNSIGI-GFCCVEGCSA-N 1 0 335.364 -2.219 20 0 EAADRO CNC(=O)[C@@H](NC(=O)C[NH2+]CCNC(=O)C(N)=O)c1ccccc1 ZINC001133208438 787184377 /nfs/dbraw/zinc/18/43/77/787184377.db2.gz HWFLKJUASNSIGI-LBPRGKRZSA-N 1 0 335.364 -2.219 20 0 EAADRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133208547 787185099 /nfs/dbraw/zinc/18/50/99/787185099.db2.gz KIELKSSQELGWNU-NEPJUHHUSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133208550 787184309 /nfs/dbraw/zinc/18/43/09/787184309.db2.gz KIELKSSQELGWNU-NWDGAFQWSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133208552 787185049 /nfs/dbraw/zinc/18/50/49/787185049.db2.gz KIELKSSQELGWNU-RYUDHWBXSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133208561 787184362 /nfs/dbraw/zinc/18/43/62/787184362.db2.gz KIELKSSQELGWNU-VXGBXAGGSA-N 1 0 328.413 -1.111 20 0 EAADRO NC(=O)C(=O)NCC[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001133208683 787184075 /nfs/dbraw/zinc/18/40/75/787184075.db2.gz MYWSBGGRKXSTOQ-UHFFFAOYSA-N 1 0 343.365 -2.536 20 0 EAADRO Cc1cccc(C)c1OCCNC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133208895 787184166 /nfs/dbraw/zinc/18/41/66/787184166.db2.gz RSUJANGBWZLTFK-UHFFFAOYSA-N 1 0 336.392 -1.010 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CN(C)C(=O)c1ccccc1 ZINC001133211193 787184399 /nfs/dbraw/zinc/18/43/99/787184399.db2.gz FDIDBSDERSNTFJ-UHFFFAOYSA-N 1 0 349.391 -1.080 20 0 EAADRO C[C@@H]1CCN(C(=O)COCc2ncnn2C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133213199 787184342 /nfs/dbraw/zinc/18/43/42/787184342.db2.gz JXYRXOLTJAQFHB-NEPJUHHUSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CCN(C(=O)COCc2ncnn2C)C[C@H]1C[NH2+]CC(N)=O ZINC001133213201 787184220 /nfs/dbraw/zinc/18/42/20/787184220.db2.gz JXYRXOLTJAQFHB-NWDGAFQWSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CCN(C(=O)COCc2ncnn2C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133213203 787185128 /nfs/dbraw/zinc/18/51/28/787185128.db2.gz JXYRXOLTJAQFHB-RYUDHWBXSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CCN(C(=O)COCc2ncnn2C)C[C@H]1C[NH2+]CC(N)=O ZINC001133213205 787184232 /nfs/dbraw/zinc/18/42/32/787184232.db2.gz JXYRXOLTJAQFHB-VXGBXAGGSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CCN(C(=O)COCc2nncn2C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133213481 787184291 /nfs/dbraw/zinc/18/42/91/787184291.db2.gz OBXCFYQATNDYGG-NEPJUHHUSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CCN(C(=O)COCc2nncn2C)C[C@H]1C[NH2+]CC(N)=O ZINC001133213482 787184202 /nfs/dbraw/zinc/18/42/02/787184202.db2.gz OBXCFYQATNDYGG-NWDGAFQWSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CCN(C(=O)COCc2nncn2C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133213483 787184276 /nfs/dbraw/zinc/18/42/76/787184276.db2.gz OBXCFYQATNDYGG-RYUDHWBXSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CCN(C(=O)COCc2nncn2C)C[C@H]1C[NH2+]CC(N)=O ZINC001133213484 787185001 /nfs/dbraw/zinc/18/50/01/787185001.db2.gz OBXCFYQATNDYGG-VXGBXAGGSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C[NH2+]CCO ZINC001133233284 787184127 /nfs/dbraw/zinc/18/41/27/787184127.db2.gz IHEKUJFXAUAFAO-NEPJUHHUSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C[NH2+]CCO ZINC001133233285 787184885 /nfs/dbraw/zinc/18/48/85/787184885.db2.gz IHEKUJFXAUAFAO-NWDGAFQWSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C[NH2+]CCO ZINC001133233286 787184553 /nfs/dbraw/zinc/18/45/53/787184553.db2.gz IHEKUJFXAUAFAO-RYUDHWBXSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C[NH2+]CCO ZINC001133233287 787184243 /nfs/dbraw/zinc/18/42/43/787184243.db2.gz IHEKUJFXAUAFAO-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133234964 787184265 /nfs/dbraw/zinc/18/42/65/787184265.db2.gz XAPPTYIPOHECGQ-GHMZBOCLSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133234965 787184148 /nfs/dbraw/zinc/18/41/48/787184148.db2.gz XAPPTYIPOHECGQ-MNOVXSKESA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133234966 787184299 /nfs/dbraw/zinc/18/42/99/787184299.db2.gz XAPPTYIPOHECGQ-QWRGUYRKSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133234967 787184181 /nfs/dbraw/zinc/18/41/81/787184181.db2.gz XAPPTYIPOHECGQ-WDEREUQCSA-N 1 0 339.396 -1.512 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2conc2C)CC1 ZINC001133236453 787183692 /nfs/dbraw/zinc/18/36/92/787183692.db2.gz FVVZDZAJUGDAAN-UHFFFAOYSA-N 1 0 337.380 -1.007 20 0 EAADRO Cc1nocc1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001133237163 787184463 /nfs/dbraw/zinc/18/44/63/787184463.db2.gz VHGFFGNBAUCPBC-JTQLQIEISA-N 1 0 325.369 -1.105 20 0 EAADRO Cc1nocc1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001133237164 787183659 /nfs/dbraw/zinc/18/36/59/787183659.db2.gz VHGFFGNBAUCPBC-SNVBAGLBSA-N 1 0 325.369 -1.105 20 0 EAADRO C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133237385 787184185 /nfs/dbraw/zinc/18/41/85/787184185.db2.gz CKOYGAICMIQASY-NXEZZACHSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133237386 787184741 /nfs/dbraw/zinc/18/47/41/787184741.db2.gz CKOYGAICMIQASY-UWVGGRQHSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133237387 787184527 /nfs/dbraw/zinc/18/45/27/787184527.db2.gz CKOYGAICMIQASY-VHSXEESVSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133237388 787185022 /nfs/dbraw/zinc/18/50/22/787185022.db2.gz CKOYGAICMIQASY-ZJUUUORDSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C[NH2+]CC(N)=O ZINC001133240936 787184216 /nfs/dbraw/zinc/18/42/16/787184216.db2.gz CGSKCRGYDRUUES-NXEZZACHSA-N 1 0 347.379 -1.409 20 0 EAADRO C[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133240937 787183714 /nfs/dbraw/zinc/18/37/14/787183714.db2.gz CGSKCRGYDRUUES-UWVGGRQHSA-N 1 0 347.379 -1.409 20 0 EAADRO C[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C[NH2+]CC(N)=O ZINC001133240938 787184244 /nfs/dbraw/zinc/18/42/44/787184244.db2.gz CGSKCRGYDRUUES-VHSXEESVSA-N 1 0 347.379 -1.409 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133240939 787184007 /nfs/dbraw/zinc/18/40/07/787184007.db2.gz CGSKCRGYDRUUES-ZJUUUORDSA-N 1 0 347.379 -1.409 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133249416 787185010 /nfs/dbraw/zinc/18/50/10/787185010.db2.gz FHUVGIRVAWLVOB-GHMZBOCLSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133249417 787184782 /nfs/dbraw/zinc/18/47/82/787184782.db2.gz FHUVGIRVAWLVOB-MNOVXSKESA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133249418 787184769 /nfs/dbraw/zinc/18/47/69/787184769.db2.gz FHUVGIRVAWLVOB-QWRGUYRKSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133249419 787183911 /nfs/dbraw/zinc/18/39/11/787183911.db2.gz FHUVGIRVAWLVOB-WDEREUQCSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C[NH2+]CCO ZINC001133249960 787184893 /nfs/dbraw/zinc/18/48/93/787184893.db2.gz MPGKHWGPBQESGC-NEPJUHHUSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001133249961 787184360 /nfs/dbraw/zinc/18/43/60/787184360.db2.gz MPGKHWGPBQESGC-NWDGAFQWSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C[NH2+]CCO ZINC001133249962 787184367 /nfs/dbraw/zinc/18/43/67/787184367.db2.gz MPGKHWGPBQESGC-RYUDHWBXSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001133249963 787184023 /nfs/dbraw/zinc/18/40/23/787184023.db2.gz MPGKHWGPBQESGC-VXGBXAGGSA-N 1 0 326.397 -1.053 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133251777 787184153 /nfs/dbraw/zinc/18/41/53/787184153.db2.gz BBMOCRNCNVJWCD-ZDUSSCGKSA-N 1 0 336.396 -1.605 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133254385 787184935 /nfs/dbraw/zinc/18/49/35/787184935.db2.gz AEEATIOLUWOGII-AWEZNQCLSA-N 1 0 341.412 -1.174 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133254505 787183955 /nfs/dbraw/zinc/18/39/55/787183955.db2.gz CDXLRENSRXHNAA-ZDUSSCGKSA-N 1 0 334.384 -1.509 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001133254866 787184284 /nfs/dbraw/zinc/18/42/84/787184284.db2.gz GQGIVUDXPPXADX-ZDUSSCGKSA-N 1 0 334.384 -1.546 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CCOCCO ZINC001133255017 787183798 /nfs/dbraw/zinc/18/37/98/787183798.db2.gz IKQFCPLHAYYGDM-ZDUSSCGKSA-N 1 0 327.385 -1.828 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255035 787184346 /nfs/dbraw/zinc/18/43/46/787184346.db2.gz IMSXPZYQSYDHKR-ZDUSSCGKSA-N 1 0 338.412 -1.359 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001133255116 787184970 /nfs/dbraw/zinc/18/49/70/787184970.db2.gz KDKVHLOLWRERGD-OLZOCXBDSA-N 1 0 336.396 -1.607 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001133255117 787184844 /nfs/dbraw/zinc/18/48/44/787184844.db2.gz KDKVHLOLWRERGD-STQMWFEESA-N 1 0 336.396 -1.607 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255334 787183741 /nfs/dbraw/zinc/18/37/41/787183741.db2.gz NFKPQQANCLEIAC-AWEZNQCLSA-N 1 0 348.411 -1.026 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255509 787184692 /nfs/dbraw/zinc/18/46/92/787184692.db2.gz QESUELHGNNBZME-ZDUSSCGKSA-N 1 0 338.412 -1.311 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133255538 787184248 /nfs/dbraw/zinc/18/42/48/787184248.db2.gz RFAAONHFEBPQML-OLZOCXBDSA-N 1 0 336.396 -1.559 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133255540 787184313 /nfs/dbraw/zinc/18/43/13/787184313.db2.gz RFAAONHFEBPQML-STQMWFEESA-N 1 0 336.396 -1.559 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133255651 787184623 /nfs/dbraw/zinc/18/46/23/787184623.db2.gz TYZZSBWQXPIZLW-ZDUSSCGKSA-N 1 0 336.396 -1.559 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001133255701 787183836 /nfs/dbraw/zinc/18/38/36/787183836.db2.gz UMUMCSJCYGWBLR-GWCFXTLKSA-N 1 0 338.412 -1.361 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001133255702 787184332 /nfs/dbraw/zinc/18/43/32/787184332.db2.gz UMUMCSJCYGWBLR-MFKMUULPSA-N 1 0 338.412 -1.361 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133255726 787184292 /nfs/dbraw/zinc/18/42/92/787184292.db2.gz VOEXXGPJCYLMFO-JTQLQIEISA-N 1 0 339.356 -2.642 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133255740 787184384 /nfs/dbraw/zinc/18/43/84/787184384.db2.gz WOPSYMAYYOQOQL-LBPRGKRZSA-N 1 0 345.425 -1.793 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255768 787184794 /nfs/dbraw/zinc/18/47/94/787184794.db2.gz YLTFFODODAGRBI-OLZOCXBDSA-N 1 0 327.385 -1.830 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255769 787185074 /nfs/dbraw/zinc/18/50/74/787185074.db2.gz YLTFFODODAGRBI-STQMWFEESA-N 1 0 327.385 -1.830 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001133255787 787184278 /nfs/dbraw/zinc/18/42/78/787184278.db2.gz ZJJGQORNJVWRQY-ZDUSSCGKSA-N 1 0 338.412 -1.313 20 0 EAADRO COc1ncccc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133271174 787184354 /nfs/dbraw/zinc/18/43/54/787184354.db2.gz WPEPIVZYWHBCKV-UHFFFAOYSA-N 1 0 335.364 -1.632 20 0 EAADRO C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133275620 787185963 /nfs/dbraw/zinc/18/59/63/787185963.db2.gz VHZZXFRKRZQAAT-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133275621 787186174 /nfs/dbraw/zinc/18/61/74/787186174.db2.gz VHZZXFRKRZQAAT-MNOVXSKESA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133275622 787186136 /nfs/dbraw/zinc/18/61/36/787186136.db2.gz VHZZXFRKRZQAAT-QWRGUYRKSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133275623 787185459 /nfs/dbraw/zinc/18/54/59/787185459.db2.gz VHZZXFRKRZQAAT-WDEREUQCSA-N 1 0 334.442 -1.563 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1C ZINC001133276088 787185815 /nfs/dbraw/zinc/18/58/15/787185815.db2.gz ZJINLPBFHXKGQH-NEPJUHHUSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C ZINC001133276089 787186062 /nfs/dbraw/zinc/18/60/62/787186062.db2.gz ZJINLPBFHXKGQH-NWDGAFQWSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C ZINC001133276090 787185345 /nfs/dbraw/zinc/18/53/45/787185345.db2.gz ZJINLPBFHXKGQH-RYUDHWBXSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1C ZINC001133276091 787186096 /nfs/dbraw/zinc/18/60/96/787186096.db2.gz ZJINLPBFHXKGQH-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)Cc1noc(CNCCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133286008 787185764 /nfs/dbraw/zinc/18/57/64/787185764.db2.gz SGFTXJIYVDWQQX-UHFFFAOYSA-N 1 0 338.412 -1.094 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001133289121 787185693 /nfs/dbraw/zinc/18/56/93/787185693.db2.gz QGJGQRPJTBIVJW-CMPLNLGQSA-N 1 0 338.412 -1.550 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001133289122 787186185 /nfs/dbraw/zinc/18/61/85/787186185.db2.gz QGJGQRPJTBIVJW-JQWIXIFHSA-N 1 0 338.412 -1.550 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001133289123 787185434 /nfs/dbraw/zinc/18/54/34/787185434.db2.gz QGJGQRPJTBIVJW-PWSUYJOCSA-N 1 0 338.412 -1.550 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001133289124 787185370 /nfs/dbraw/zinc/18/53/70/787185370.db2.gz QGJGQRPJTBIVJW-ZYHUDNBSSA-N 1 0 338.412 -1.550 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCO)C2)c(=O)n1C ZINC001133289625 787186264 /nfs/dbraw/zinc/18/62/64/787186264.db2.gz YAQIRJTXMHRZTR-AAEUAGOBSA-N 1 0 325.413 -1.043 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCO)C2)c(=O)n1C ZINC001133289626 787185453 /nfs/dbraw/zinc/18/54/53/787185453.db2.gz YAQIRJTXMHRZTR-DGCLKSJQSA-N 1 0 325.413 -1.043 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]CCO)C2)c(=O)n1C ZINC001133289627 787185526 /nfs/dbraw/zinc/18/55/26/787185526.db2.gz YAQIRJTXMHRZTR-WCQYABFASA-N 1 0 325.413 -1.043 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCO)C2)c(=O)n1C ZINC001133289628 787185401 /nfs/dbraw/zinc/18/54/01/787185401.db2.gz YAQIRJTXMHRZTR-YPMHNXCESA-N 1 0 325.413 -1.043 20 0 EAADRO C[NH+](C)CCC(=O)NCCNCc1nc(CS(C)(=O)=O)no1 ZINC001133291726 787186038 /nfs/dbraw/zinc/18/60/38/787186038.db2.gz XRWIQLXWBHCIRZ-UHFFFAOYSA-N 1 0 333.414 -1.228 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133293212 787186016 /nfs/dbraw/zinc/18/60/16/787186016.db2.gz MTERSONOXQAJDQ-GHMZBOCLSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133293213 787186241 /nfs/dbraw/zinc/18/62/41/787186241.db2.gz MTERSONOXQAJDQ-MNOVXSKESA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133293214 787185624 /nfs/dbraw/zinc/18/56/24/787185624.db2.gz MTERSONOXQAJDQ-QWRGUYRKSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133293215 787186232 /nfs/dbraw/zinc/18/62/32/787186232.db2.gz MTERSONOXQAJDQ-WDEREUQCSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133296549 787185919 /nfs/dbraw/zinc/18/59/19/787185919.db2.gz CMBNAGYEGOXZLG-NXEZZACHSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133296550 787185807 /nfs/dbraw/zinc/18/58/07/787185807.db2.gz CMBNAGYEGOXZLG-UWVGGRQHSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133296551 787186057 /nfs/dbraw/zinc/18/60/57/787186057.db2.gz CMBNAGYEGOXZLG-VHSXEESVSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133296552 787185550 /nfs/dbraw/zinc/18/55/50/787185550.db2.gz CMBNAGYEGOXZLG-ZJUUUORDSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C[NH2+]CCO ZINC001133298489 787186067 /nfs/dbraw/zinc/18/60/67/787186067.db2.gz QQATVDPDOYAWGK-NEPJUHHUSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001133298490 787185560 /nfs/dbraw/zinc/18/55/60/787185560.db2.gz QQATVDPDOYAWGK-NWDGAFQWSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C[NH2+]CCO ZINC001133298491 787185781 /nfs/dbraw/zinc/18/57/81/787185781.db2.gz QQATVDPDOYAWGK-RYUDHWBXSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C[NH2+]CCO ZINC001133298492 787186121 /nfs/dbraw/zinc/18/61/21/787186121.db2.gz QQATVDPDOYAWGK-VXGBXAGGSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001133301195 787185992 /nfs/dbraw/zinc/18/59/92/787185992.db2.gz DRNVODQQFFNGJX-GHMZBOCLSA-N 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339.396 -1.560 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133313200 787187635 /nfs/dbraw/zinc/18/76/35/787187635.db2.gz BJJHQUVODAVTCK-NXEZZACHSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133313201 787187234 /nfs/dbraw/zinc/18/72/34/787187234.db2.gz BJJHQUVODAVTCK-UWVGGRQHSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001133313202 787187107 /nfs/dbraw/zinc/18/71/07/787187107.db2.gz BJJHQUVODAVTCK-VHSXEESVSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001133313203 787187573 /nfs/dbraw/zinc/18/75/73/787187573.db2.gz BJJHQUVODAVTCK-ZJUUUORDSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@@H]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001133321347 787187886 /nfs/dbraw/zinc/18/78/86/787187886.db2.gz CDJKHYFQVZZHGU-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO 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/nfs/dbraw/zinc/18/74/88/787187488.db2.gz MNWCZMQTFBQMSQ-QWHCGFSZSA-N 1 0 338.412 -1.539 20 0 EAADRO C[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C[C@@H]1C[NH2+]CCO ZINC001133333813 787186870 /nfs/dbraw/zinc/18/68/70/787186870.db2.gz MNWCZMQTFBQMSQ-STQMWFEESA-N 1 0 338.412 -1.539 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C ZINC001133334234 787187906 /nfs/dbraw/zinc/18/79/06/787187906.db2.gz UJEARCOZAFLTKP-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001133334235 787186956 /nfs/dbraw/zinc/18/69/56/787186956.db2.gz UJEARCOZAFLTKP-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001133334236 787187819 /nfs/dbraw/zinc/18/78/19/787187819.db2.gz UJEARCOZAFLTKP-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C ZINC001133334237 787187776 /nfs/dbraw/zinc/18/77/76/787187776.db2.gz UJEARCOZAFLTKP-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001133334258 787187000 /nfs/dbraw/zinc/18/70/00/787187000.db2.gz UWFKJDGNJYJNNI-NEPJUHHUSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001133334259 787187263 /nfs/dbraw/zinc/18/72/63/787187263.db2.gz UWFKJDGNJYJNNI-NWDGAFQWSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001133334260 787186822 /nfs/dbraw/zinc/18/68/22/787186822.db2.gz UWFKJDGNJYJNNI-RYUDHWBXSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001133334261 787187440 /nfs/dbraw/zinc/18/74/40/787187440.db2.gz UWFKJDGNJYJNNI-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133334822 787187135 /nfs/dbraw/zinc/18/71/35/787187135.db2.gz CKUPPTAHNASRGQ-GHMZBOCLSA-N 1 0 330.385 -1.143 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133334823 787187480 /nfs/dbraw/zinc/18/74/80/787187480.db2.gz CKUPPTAHNASRGQ-MNOVXSKESA-N 1 0 330.385 -1.143 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133334824 787187492 /nfs/dbraw/zinc/18/74/92/787187492.db2.gz CKUPPTAHNASRGQ-QWRGUYRKSA-N 1 0 330.385 -1.143 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133334825 787187221 /nfs/dbraw/zinc/18/72/21/787187221.db2.gz CKUPPTAHNASRGQ-WDEREUQCSA-N 1 0 330.385 -1.143 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)[nH]c1=O ZINC001133334828 787187862 /nfs/dbraw/zinc/18/78/62/787187862.db2.gz CNXDLHGJYACAIG-JTQLQIEISA-N 1 0 325.369 -1.572 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)[nH]c1=O ZINC001133334885 787187680 /nfs/dbraw/zinc/18/76/80/787187680.db2.gz FFNYMTLHIVFBHF-UHFFFAOYSA-N 1 0 331.398 -1.519 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133334994 787187528 /nfs/dbraw/zinc/18/75/28/787187528.db2.gz GRDKBSIYEJJIOS-UHFFFAOYSA-N 1 0 333.414 -1.226 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)[nH]c1=O ZINC001133335186 787187361 /nfs/dbraw/zinc/18/73/61/787187361.db2.gz KUHLJTGKPLADNV-UHFFFAOYSA-N 1 0 325.354 -1.065 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)[nH]c1=O ZINC001133335316 787187646 /nfs/dbraw/zinc/18/76/46/787187646.db2.gz PHQFVOFTFOUDFA-UHFFFAOYSA-N 1 0 331.336 -1.019 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)[nH]c1=O ZINC001133335384 787187787 /nfs/dbraw/zinc/18/77/87/787187787.db2.gz RZBVZKMJNKHCKL-JTQLQIEISA-N 1 0 325.369 -1.260 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)[nH]c1=O ZINC001133335385 787187012 /nfs/dbraw/zinc/18/70/12/787187012.db2.gz RZBVZKMJNKHCKL-SNVBAGLBSA-N 1 0 325.369 -1.260 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[nH]c1=O ZINC001133335402 787187545 /nfs/dbraw/zinc/18/75/45/787187545.db2.gz SURDCRDEXVMGQR-JTQLQIEISA-N 1 0 345.425 -1.273 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[nH]c1=O ZINC001133335403 787187603 /nfs/dbraw/zinc/18/76/03/787187603.db2.gz SURDCRDEXVMGQR-SNVBAGLBSA-N 1 0 345.425 -1.273 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335419 787186902 /nfs/dbraw/zinc/18/69/02/787186902.db2.gz TZEHMGMXNFCTIZ-UHFFFAOYSA-N 1 0 326.357 -1.319 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C[NH2+]CCCO ZINC001133336780 787187609 /nfs/dbraw/zinc/18/76/09/787187609.db2.gz FNUPKLCNHZYHOU-NEPJUHHUSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C[NH2+]CCCO ZINC001133336781 787187536 /nfs/dbraw/zinc/18/75/36/787187536.db2.gz FNUPKLCNHZYHOU-NWDGAFQWSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C[NH2+]CCCO ZINC001133336782 787187752 /nfs/dbraw/zinc/18/77/52/787187752.db2.gz FNUPKLCNHZYHOU-RYUDHWBXSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C[NH2+]CCCO ZINC001133336783 787187614 /nfs/dbraw/zinc/18/76/14/787187614.db2.gz FNUPKLCNHZYHOU-VXGBXAGGSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C[NH2+]CC(N)=O ZINC001133337210 787187758 /nfs/dbraw/zinc/18/77/58/787187758.db2.gz KHKSZEARLPWNLC-NXEZZACHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133337211 787187351 /nfs/dbraw/zinc/18/73/51/787187351.db2.gz KHKSZEARLPWNLC-UWVGGRQHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C[NH2+]CC(N)=O ZINC001133337212 787187458 /nfs/dbraw/zinc/18/74/58/787187458.db2.gz KHKSZEARLPWNLC-VHSXEESVSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133337213 787186878 /nfs/dbraw/zinc/18/68/78/787186878.db2.gz KHKSZEARLPWNLC-ZJUUUORDSA-N 1 0 337.384 -2.064 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(C)C ZINC001133337590 787186936 /nfs/dbraw/zinc/18/69/36/787186936.db2.gz CEDJAWZUWGHIIW-CYBMUJFWSA-N 1 0 326.397 -1.039 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(C)C ZINC001133337592 787187639 /nfs/dbraw/zinc/18/76/39/787187639.db2.gz CEDJAWZUWGHIIW-ZDUSSCGKSA-N 1 0 326.397 -1.039 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)C(C)C ZINC001133339388 787187597 /nfs/dbraw/zinc/18/75/97/787187597.db2.gz WRGYFZXKMMURIO-AAEUAGOBSA-N 1 0 330.429 -1.044 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)C(C)C ZINC001133339389 787187659 /nfs/dbraw/zinc/18/76/59/787187659.db2.gz WRGYFZXKMMURIO-DGCLKSJQSA-N 1 0 330.429 -1.044 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)C(C)C ZINC001133339390 787187038 /nfs/dbraw/zinc/18/70/38/787187038.db2.gz WRGYFZXKMMURIO-WCQYABFASA-N 1 0 330.429 -1.044 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)C(C)C ZINC001133339391 787187764 /nfs/dbraw/zinc/18/77/64/787187764.db2.gz WRGYFZXKMMURIO-YPMHNXCESA-N 1 0 330.429 -1.044 20 0 EAADRO C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133345418 787187356 /nfs/dbraw/zinc/18/73/56/787187356.db2.gz CBGJOXLEKKMWSB-NEPJUHHUSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133345419 787186965 /nfs/dbraw/zinc/18/69/65/787186965.db2.gz CBGJOXLEKKMWSB-NWDGAFQWSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001133345420 787187675 /nfs/dbraw/zinc/18/76/75/787187675.db2.gz CBGJOXLEKKMWSB-RYUDHWBXSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001133345421 787186995 /nfs/dbraw/zinc/18/69/95/787186995.db2.gz CBGJOXLEKKMWSB-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(C)C ZINC001133347801 787187782 /nfs/dbraw/zinc/18/77/82/787187782.db2.gz IDANGBMPKPYBOD-BXUZGUMPSA-N 1 0 329.397 -1.127 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(C)C ZINC001133347802 787187938 /nfs/dbraw/zinc/18/79/38/787187938.db2.gz IDANGBMPKPYBOD-FZMZJTMJSA-N 1 0 329.397 -1.127 20 0 EAADRO CO[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(C)C ZINC001133347803 787187804 /nfs/dbraw/zinc/18/78/04/787187804.db2.gz IDANGBMPKPYBOD-RISCZKNCSA-N 1 0 329.397 -1.127 20 0 EAADRO CO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(C)C ZINC001133347804 787187325 /nfs/dbraw/zinc/18/73/25/787187325.db2.gz IDANGBMPKPYBOD-SMDDNHRTSA-N 1 0 329.397 -1.127 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]2)CCO1 ZINC001133348014 787187278 /nfs/dbraw/zinc/18/72/78/787187278.db2.gz MWBVOLFNDGOMGB-JTQLQIEISA-N 1 0 325.369 -1.308 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]2)CCO1 ZINC001133348015 787187974 /nfs/dbraw/zinc/18/79/74/787187974.db2.gz MWBVOLFNDGOMGB-SNVBAGLBSA-N 1 0 325.369 -1.308 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133348114 787186789 /nfs/dbraw/zinc/18/67/89/787186789.db2.gz PQLAZOSGNOGIBP-UHFFFAOYSA-N 1 0 340.384 -1.073 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133350313 787187825 /nfs/dbraw/zinc/18/78/25/787187825.db2.gz DZDFTQOHAYTLHY-JTQLQIEISA-N 1 0 327.385 -1.014 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133350314 787187895 /nfs/dbraw/zinc/18/78/95/787187895.db2.gz DZDFTQOHAYTLHY-SNVBAGLBSA-N 1 0 327.385 -1.014 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133350361 787187197 /nfs/dbraw/zinc/18/71/97/787187197.db2.gz FUBOUHBUXYRTPL-UHFFFAOYSA-N 1 0 349.395 -1.163 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)[nH]c1=O ZINC001133350415 787187173 /nfs/dbraw/zinc/18/71/73/787187173.db2.gz GYZKJGVBLVWPRG-UHFFFAOYSA-N 1 0 338.368 -1.225 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)N(C)C ZINC001133350467 787187737 /nfs/dbraw/zinc/18/77/37/787187737.db2.gz HJPLMJNURXCVKV-SECBINFHSA-N 1 0 340.384 -1.962 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)N(C)C ZINC001133350469 787187515 /nfs/dbraw/zinc/18/75/15/787187515.db2.gz HJPLMJNURXCVKV-VIFPVBQESA-N 1 0 340.384 -1.962 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)[nH]c1=O ZINC001133350479 787187723 /nfs/dbraw/zinc/18/77/23/787187723.db2.gz HODXDVAZFFIZHS-UHFFFAOYSA-N 1 0 336.352 -1.957 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[nH]c1=O ZINC001133350849 787187962 /nfs/dbraw/zinc/18/79/62/787187962.db2.gz MGBDTWUKIFVZFL-SECBINFHSA-N 1 0 339.352 -2.045 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)[nH]c1=O ZINC001133350850 787187946 /nfs/dbraw/zinc/18/79/46/787187946.db2.gz MGBDTWUKIFVZFL-VIFPVBQESA-N 1 0 339.352 -2.045 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)[nH]c1=O ZINC001133350888 787187850 /nfs/dbraw/zinc/18/78/50/787187850.db2.gz NKGZWXMPXYWVCO-JTQLQIEISA-N 1 0 325.369 -1.402 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)[nH]c1=O ZINC001133350890 787186753 /nfs/dbraw/zinc/18/67/53/787186753.db2.gz NKGZWXMPXYWVCO-SNVBAGLBSA-N 1 0 325.369 -1.402 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)NC(=O)NC1CC1 ZINC001133351154 787187499 /nfs/dbraw/zinc/18/74/99/787187499.db2.gz RMTBVPDYHUJLME-MRVPVSSYSA-N 1 0 338.368 -1.178 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)NC(=O)NC1CC1 ZINC001133351157 787187309 /nfs/dbraw/zinc/18/73/09/787187309.db2.gz RMTBVPDYHUJLME-QMMMGPOBSA-N 1 0 338.368 -1.178 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cn(C)c(=O)[nH]3)C2=O)cn1 ZINC001133351224 787187923 /nfs/dbraw/zinc/18/79/23/787187923.db2.gz SCYXHPINJWLUGX-LLVKDONJSA-N 1 0 347.379 -1.016 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cn(C)c(=O)[nH]3)C2=O)cn1 ZINC001133351229 787187425 /nfs/dbraw/zinc/18/74/25/787187425.db2.gz SCYXHPINJWLUGX-NSHDSACASA-N 1 0 347.379 -1.016 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351233 787187913 /nfs/dbraw/zinc/18/79/13/787187913.db2.gz SDPFALSZSCMHIF-UHFFFAOYSA-N 1 0 333.414 -1.273 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3cn(C)c(=O)[nH]3)C2=O)n1 ZINC001133351331 787187242 /nfs/dbraw/zinc/18/72/42/787187242.db2.gz TZKZUFGZKAPXNU-JTQLQIEISA-N 1 0 347.379 -1.016 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3cn(C)c(=O)[nH]3)C2=O)n1 ZINC001133351333 787187559 /nfs/dbraw/zinc/18/75/59/787187559.db2.gz TZKZUFGZKAPXNU-SNVBAGLBSA-N 1 0 347.379 -1.016 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351662 787189441 /nfs/dbraw/zinc/18/94/41/787189441.db2.gz ZRKVSYVZUAFLGB-UHFFFAOYSA-N 1 0 348.425 -1.104 20 0 EAADRO C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133363260 787188615 /nfs/dbraw/zinc/18/86/15/787188615.db2.gz GBPIFIMUGGHRTR-GHMZBOCLSA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133363261 787188622 /nfs/dbraw/zinc/18/86/22/787188622.db2.gz GBPIFIMUGGHRTR-MNOVXSKESA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133363262 787188669 /nfs/dbraw/zinc/18/86/69/787188669.db2.gz GBPIFIMUGGHRTR-QWRGUYRKSA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133363263 787188552 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EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2n[nH]cc2F)CC1 ZINC001133470302 787189270 /nfs/dbraw/zinc/18/92/70/787189270.db2.gz AYKHFTWEFUBCLH-UHFFFAOYSA-N 1 0 340.359 -1.441 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1n[nH]cc1F ZINC001133470374 787188842 /nfs/dbraw/zinc/18/88/42/787188842.db2.gz GAUWCXJJIHCFET-MRVPVSSYSA-N 1 0 327.316 -1.622 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1n[nH]cc1F ZINC001133470375 787188562 /nfs/dbraw/zinc/18/85/62/787188562.db2.gz GAUWCXJJIHCFET-QMMMGPOBSA-N 1 0 327.316 -1.622 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2n[nH]cc2F)CC1 ZINC001133471125 787188775 /nfs/dbraw/zinc/18/87/75/787188775.db2.gz SVDUCQIAYAKAJW-UHFFFAOYSA-N 1 0 340.359 -1.408 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133472994 787188655 /nfs/dbraw/zinc/18/86/55/787188655.db2.gz BZQKRYGWIQCGSE-AWEZNQCLSA-N 1 0 349.453 -1.188 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)CCC(=O)N1 ZINC001133473002 787188972 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EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCC(=O)N1 ZINC001133473467 787189051 /nfs/dbraw/zinc/18/90/51/787189051.db2.gz JODWMYSDUGZOSE-BMIGLBTASA-N 1 0 340.380 -2.129 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCC(=O)N1 ZINC001133473468 787188675 /nfs/dbraw/zinc/18/86/75/787188675.db2.gz JODWMYSDUGZOSE-BONVTDFDSA-N 1 0 340.380 -2.129 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CCC(=O)N1 ZINC001133473492 787188597 /nfs/dbraw/zinc/18/85/97/787188597.db2.gz KJGJUSCSINACFD-NHYWBVRUSA-N 1 0 326.397 -1.656 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133473508 787188855 /nfs/dbraw/zinc/18/88/55/787188855.db2.gz LCGBATDPVZKIFU-ZDUSSCGKSA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@]2(C)CCC(=O)N2)CCO1 ZINC001133473710 787188357 /nfs/dbraw/zinc/18/83/57/787188357.db2.gz OVYJHBKBGUYOTF-ABAIWWIYSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@]2(C)CCC(=O)N2)CCO1 ZINC001133473712 787189581 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EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133478097 787189119 /nfs/dbraw/zinc/18/91/19/787189119.db2.gz FCBMMURTNJHEAB-ABAIWWIYSA-N 1 0 328.413 -1.098 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133478100 787188999 /nfs/dbraw/zinc/18/89/99/787188999.db2.gz FCBMMURTNJHEAB-NHYWBVRUSA-N 1 0 328.413 -1.098 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133478649 787189373 /nfs/dbraw/zinc/18/93/73/787189373.db2.gz KHHCOMKVBXLFNU-HNNXBMFYSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CCC(=O)N1 ZINC001133478753 787188579 /nfs/dbraw/zinc/18/85/79/787188579.db2.gz LHPDCGXEMPMYTI-LRDDRELGSA-N 1 0 343.424 -1.083 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CCC(=O)N1 ZINC001133478755 787188928 /nfs/dbraw/zinc/18/89/28/787188928.db2.gz LHPDCGXEMPMYTI-WBMJQRKESA-N 1 0 343.424 -1.083 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133478846 787188251 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326.397 -1.486 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCC(=O)N1 ZINC001133479441 787190997 /nfs/dbraw/zinc/19/09/97/787190997.db2.gz XPKAKDNIWFIUAJ-NHYWBVRUSA-N 1 0 326.397 -1.486 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@]3(C)CCC(=O)N3)C2=O)n1 ZINC001133479563 787190448 /nfs/dbraw/zinc/19/04/48/787190448.db2.gz ZPXQBWJBBSYBDM-BZNIZROVSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@]3(C)CCC(=O)N3)C2=O)n1 ZINC001133479564 787190896 /nfs/dbraw/zinc/19/08/96/787190896.db2.gz ZPXQBWJBBSYBDM-ZBEGNZNMSA-N 1 0 348.407 -1.100 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479569 787190395 /nfs/dbraw/zinc/19/03/95/787190395.db2.gz ZWULPDJJBNKDNV-BMIGLBTASA-N 1 0 341.412 -1.016 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479570 787190132 /nfs/dbraw/zinc/19/01/32/787190132.db2.gz ZWULPDJJBNKDNV-BONVTDFDSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133481314 787188500 /nfs/dbraw/zinc/18/85/00/787188500.db2.gz YEELZYLNDHMYSW-UHFFFAOYSA-N 1 0 342.375 -1.101 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133484672 787190876 /nfs/dbraw/zinc/19/08/76/787190876.db2.gz HIICSCFNYUDKHM-UHFFFAOYSA-N 1 0 342.375 -1.147 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F)C(=O)N(C)C ZINC001133485015 787190710 /nfs/dbraw/zinc/19/07/10/787190710.db2.gz PWWXBHTXXCIPQW-MRVPVSSYSA-N 1 0 328.348 -1.539 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F)C(=O)N(C)C ZINC001133485016 787190943 /nfs/dbraw/zinc/19/09/43/787190943.db2.gz PWWXBHTXXCIPQW-QMMMGPOBSA-N 1 0 328.348 -1.539 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2n[nH]cc2F)C1 ZINC001133485083 787190156 /nfs/dbraw/zinc/19/01/56/787190156.db2.gz SNNJIXNLWJLZLU-SECBINFHSA-N 1 0 340.359 -1.408 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2n[nH]cc2F)C1 ZINC001133485084 787190782 /nfs/dbraw/zinc/19/07/82/787190782.db2.gz SNNJIXNLWJLZLU-VIFPVBQESA-N 1 0 340.359 -1.408 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133485085 787190459 /nfs/dbraw/zinc/19/04/59/787190459.db2.gz SNYMUEQLKOKIKJ-MRVPVSSYSA-N 1 0 344.347 -1.271 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133485086 787190476 /nfs/dbraw/zinc/19/04/76/787190476.db2.gz SNYMUEQLKOKIKJ-QMMMGPOBSA-N 1 0 344.347 -1.271 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1n[nH]cc1F)NCC(=O)N1CCCC1 ZINC001133485107 787191073 /nfs/dbraw/zinc/19/10/73/787191073.db2.gz UMTXNDMWXLYIEC-UHFFFAOYSA-N 1 0 340.359 -1.393 20 0 EAADRO COCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133487566 787189958 /nfs/dbraw/zinc/18/99/58/787189958.db2.gz RILZRALMUILPGI-NEPJUHHUSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133487567 787190422 /nfs/dbraw/zinc/19/04/22/787190422.db2.gz RILZRALMUILPGI-NWDGAFQWSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133487568 787190429 /nfs/dbraw/zinc/19/04/29/787190429.db2.gz RILZRALMUILPGI-RYUDHWBXSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133487569 787190689 /nfs/dbraw/zinc/19/06/89/787190689.db2.gz RILZRALMUILPGI-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO C[C@H]1COCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133489959 787190968 /nfs/dbraw/zinc/19/09/68/787190968.db2.gz ZJJSYFKYTZZNDA-AAEUAGOBSA-N 1 0 338.408 -1.038 20 0 EAADRO C[C@@H]1COCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133489960 787190030 /nfs/dbraw/zinc/19/00/30/787190030.db2.gz ZJJSYFKYTZZNDA-DGCLKSJQSA-N 1 0 338.408 -1.038 20 0 EAADRO C[C@H]1COCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133489961 787190548 /nfs/dbraw/zinc/19/05/48/787190548.db2.gz ZJJSYFKYTZZNDA-WCQYABFASA-N 1 0 338.408 -1.038 20 0 EAADRO C[C@@H]1COCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133489962 787190214 /nfs/dbraw/zinc/19/02/14/787190214.db2.gz ZJJSYFKYTZZNDA-YPMHNXCESA-N 1 0 338.408 -1.038 20 0 EAADRO C[C@@H]1COCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133494898 787190090 /nfs/dbraw/zinc/19/00/90/787190090.db2.gz BWGANRBZWIEGMX-NEPJUHHUSA-N 1 0 326.397 -1.677 20 0 EAADRO C[C@H]1COCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133494911 787190620 /nfs/dbraw/zinc/19/06/20/787190620.db2.gz BWGANRBZWIEGMX-NWDGAFQWSA-N 1 0 326.397 -1.677 20 0 EAADRO C[C@H]1COCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133494913 787191172 /nfs/dbraw/zinc/19/11/72/787191172.db2.gz BWGANRBZWIEGMX-RYUDHWBXSA-N 1 0 326.397 -1.677 20 0 EAADRO C[C@@H]1COCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133494914 787191024 /nfs/dbraw/zinc/19/10/24/787191024.db2.gz BWGANRBZWIEGMX-VXGBXAGGSA-N 1 0 326.397 -1.677 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc(Cl)[nH]1)N1CCNC(=O)C1 ZINC001133500540 787191094 /nfs/dbraw/zinc/19/10/94/787191094.db2.gz GRMYWGQWIFFHFO-UHFFFAOYSA-N 1 0 327.772 -1.054 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001133508200 787190481 /nfs/dbraw/zinc/19/04/81/787190481.db2.gz DUEVIFDWSYZLOW-LLVKDONJSA-N 1 0 332.401 -1.165 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001133508202 787190247 /nfs/dbraw/zinc/19/02/47/787190247.db2.gz DUEVIFDWSYZLOW-NSHDSACASA-N 1 0 332.401 -1.165 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001133508605 787189937 /nfs/dbraw/zinc/18/99/37/787189937.db2.gz HILBHEAQEBRXLN-JTQLQIEISA-N 1 0 332.401 -1.022 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001133508617 787190357 /nfs/dbraw/zinc/19/03/57/787190357.db2.gz HILBHEAQEBRXLN-SNVBAGLBSA-N 1 0 332.401 -1.022 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133508623 787191154 /nfs/dbraw/zinc/19/11/54/787191154.db2.gz HIUGMANDYVNMIE-GFCCVEGCSA-N 1 0 340.442 -1.195 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133508627 787190616 /nfs/dbraw/zinc/19/06/16/787190616.db2.gz HIUGMANDYVNMIE-LBPRGKRZSA-N 1 0 340.442 -1.195 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133508978 787190327 /nfs/dbraw/zinc/19/03/27/787190327.db2.gz LDPDZDSLILHBMT-GHMZBOCLSA-N 1 0 331.369 -2.137 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133508979 787191049 /nfs/dbraw/zinc/19/10/49/787191049.db2.gz LDPDZDSLILHBMT-MNOVXSKESA-N 1 0 331.369 -2.137 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133508980 787190203 /nfs/dbraw/zinc/19/02/03/787190203.db2.gz LDPDZDSLILHBMT-QWRGUYRKSA-N 1 0 331.369 -2.137 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133508981 787190850 /nfs/dbraw/zinc/19/08/50/787190850.db2.gz LDPDZDSLILHBMT-WDEREUQCSA-N 1 0 331.369 -2.137 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001133509928 787190674 /nfs/dbraw/zinc/19/06/74/787190674.db2.gz QUJLRMZTTNNMCK-NEPJUHHUSA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001133509929 787191057 /nfs/dbraw/zinc/19/10/57/787191057.db2.gz QUJLRMZTTNNMCK-NWDGAFQWSA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001133509930 787191146 /nfs/dbraw/zinc/19/11/46/787191146.db2.gz QUJLRMZTTNNMCK-RYUDHWBXSA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001133509931 787190768 /nfs/dbraw/zinc/19/07/68/787190768.db2.gz QUJLRMZTTNNMCK-VXGBXAGGSA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001133509939 787190737 /nfs/dbraw/zinc/19/07/37/787190737.db2.gz RECOIBAQIUKFMW-GFCCVEGCSA-N 1 0 344.412 -1.923 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001133509940 787190337 /nfs/dbraw/zinc/19/03/37/787190337.db2.gz RECOIBAQIUKFMW-LBPRGKRZSA-N 1 0 344.412 -1.923 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133510113 787190870 /nfs/dbraw/zinc/19/08/70/787190870.db2.gz SNPZLQRZJIPDON-GXTWGEPZSA-N 1 0 334.413 -1.090 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133510114 787190494 /nfs/dbraw/zinc/19/04/94/787190494.db2.gz SNPZLQRZJIPDON-JSGCOSHPSA-N 1 0 334.413 -1.090 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133510115 787190021 /nfs/dbraw/zinc/19/00/21/787190021.db2.gz SNPZLQRZJIPDON-OCCSQVGLSA-N 1 0 334.413 -1.090 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133510116 787190180 /nfs/dbraw/zinc/19/01/80/787190180.db2.gz SNPZLQRZJIPDON-TZMCWYRMSA-N 1 0 334.413 -1.090 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001133510181 787190055 /nfs/dbraw/zinc/19/00/55/787190055.db2.gz TZAOJAVYWPSXLI-CHWSQXEVSA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001133510182 787190412 /nfs/dbraw/zinc/19/04/12/787190412.db2.gz TZAOJAVYWPSXLI-OLZOCXBDSA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001133510183 787189999 /nfs/dbraw/zinc/18/99/99/787189999.db2.gz TZAOJAVYWPSXLI-QWHCGFSZSA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001133510184 787190435 /nfs/dbraw/zinc/19/04/35/787190435.db2.gz TZAOJAVYWPSXLI-STQMWFEESA-N 1 0 339.396 -1.107 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133510212 787190532 /nfs/dbraw/zinc/19/05/32/787190532.db2.gz UUFZXRYALPNFCF-LLVKDONJSA-N 1 0 325.431 -1.365 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133510213 787190007 /nfs/dbraw/zinc/19/00/07/787190007.db2.gz UUFZXRYALPNFCF-NSHDSACASA-N 1 0 325.431 -1.365 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001133510256 787190279 /nfs/dbraw/zinc/19/02/79/787190279.db2.gz VVYNNANHRHBFRF-CYBMUJFWSA-N 1 0 341.412 -1.254 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001133510257 787190295 /nfs/dbraw/zinc/19/02/95/787190295.db2.gz VVYNNANHRHBFRF-ZDUSSCGKSA-N 1 0 341.412 -1.254 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133512602 787190884 /nfs/dbraw/zinc/19/08/84/787190884.db2.gz FUCPDNUSPQEKJT-NEPJUHHUSA-N 1 0 344.412 -1.923 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133512604 787190500 /nfs/dbraw/zinc/19/05/00/787190500.db2.gz FUCPDNUSPQEKJT-NWDGAFQWSA-N 1 0 344.412 -1.923 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133512606 787191163 /nfs/dbraw/zinc/19/11/63/787191163.db2.gz FUCPDNUSPQEKJT-RYUDHWBXSA-N 1 0 344.412 -1.923 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133512607 787191016 /nfs/dbraw/zinc/19/10/16/787191016.db2.gz FUCPDNUSPQEKJT-VXGBXAGGSA-N 1 0 344.412 -1.923 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001133512733 787190838 /nfs/dbraw/zinc/19/08/38/787190838.db2.gz HIRYYUFZKHOQPL-GHMZBOCLSA-N 1 0 332.401 -1.024 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001133512734 787190698 /nfs/dbraw/zinc/19/06/98/787190698.db2.gz HIRYYUFZKHOQPL-MNOVXSKESA-N 1 0 332.401 -1.024 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001133512735 787191138 /nfs/dbraw/zinc/19/11/38/787191138.db2.gz HIRYYUFZKHOQPL-QWRGUYRKSA-N 1 0 332.401 -1.024 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001133512736 787190636 /nfs/dbraw/zinc/19/06/36/787190636.db2.gz HIRYYUFZKHOQPL-WDEREUQCSA-N 1 0 332.401 -1.024 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133512739 787190010 /nfs/dbraw/zinc/19/00/10/787190010.db2.gz HKKKIIASSMBQGX-LLVKDONJSA-N 1 0 328.369 -2.049 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133512740 787190956 /nfs/dbraw/zinc/19/09/56/787190956.db2.gz HKKKIIASSMBQGX-NSHDSACASA-N 1 0 328.369 -2.049 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133512838 787190661 /nfs/dbraw/zinc/19/06/61/787190661.db2.gz ISTHOJDEMHLCKP-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133512852 787190979 /nfs/dbraw/zinc/19/09/79/787190979.db2.gz ISTHOJDEMHLCKP-NSHDSACASA-N 1 0 332.401 -1.021 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001133512985 787190817 /nfs/dbraw/zinc/19/08/17/787190817.db2.gz KXAPHGSVGNHYPN-GHMZBOCLSA-N 1 0 332.401 -2.054 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001133512986 787191186 /nfs/dbraw/zinc/19/11/86/787191186.db2.gz KXAPHGSVGNHYPN-MNOVXSKESA-N 1 0 332.401 -2.054 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001133512987 787190484 /nfs/dbraw/zinc/19/04/84/787190484.db2.gz KXAPHGSVGNHYPN-QWRGUYRKSA-N 1 0 332.401 -2.054 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001133512988 787190857 /nfs/dbraw/zinc/19/08/57/787190857.db2.gz KXAPHGSVGNHYPN-WDEREUQCSA-N 1 0 332.401 -2.054 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001133513036 787190187 /nfs/dbraw/zinc/19/01/87/787190187.db2.gz MAGPMOZTAMJPDJ-CYBMUJFWSA-N 1 0 344.412 -1.956 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001133513037 787190796 /nfs/dbraw/zinc/19/07/96/787190796.db2.gz MAGPMOZTAMJPDJ-ZDUSSCGKSA-N 1 0 344.412 -1.956 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133513038 787190806 /nfs/dbraw/zinc/19/08/06/787190806.db2.gz MBPDLMAZAKJPCF-GHMZBOCLSA-N 1 0 348.400 -1.786 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133513039 787190112 /nfs/dbraw/zinc/19/01/12/787190112.db2.gz MBPDLMAZAKJPCF-MNOVXSKESA-N 1 0 348.400 -1.786 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133513040 787190232 /nfs/dbraw/zinc/19/02/32/787190232.db2.gz MBPDLMAZAKJPCF-QWRGUYRKSA-N 1 0 348.400 -1.786 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001133513041 787189975 /nfs/dbraw/zinc/18/99/75/787189975.db2.gz MBPDLMAZAKJPCF-WDEREUQCSA-N 1 0 348.400 -1.786 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133513489 787190560 /nfs/dbraw/zinc/19/05/60/787190560.db2.gz QSEYWWOQFKZLJL-JTQLQIEISA-N 1 0 330.385 -1.316 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133513490 787190074 /nfs/dbraw/zinc/19/00/74/787190074.db2.gz QSEYWWOQFKZLJL-SNVBAGLBSA-N 1 0 330.385 -1.316 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133513501 787190569 /nfs/dbraw/zinc/19/05/69/787190569.db2.gz QVMBWOMNKSGXAS-GFCCVEGCSA-N 1 0 346.428 -1.662 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133513502 787190825 /nfs/dbraw/zinc/19/08/25/787190825.db2.gz QVMBWOMNKSGXAS-LBPRGKRZSA-N 1 0 346.428 -1.662 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001133513526 787190468 /nfs/dbraw/zinc/19/04/68/787190468.db2.gz ROCJBAGJICHCCU-GFCCVEGCSA-N 1 0 344.412 -1.908 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001133513527 787190927 /nfs/dbraw/zinc/19/09/27/787190927.db2.gz ROCJBAGJICHCCU-LBPRGKRZSA-N 1 0 344.412 -1.908 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001133513866 787190375 /nfs/dbraw/zinc/19/03/75/787190375.db2.gz ZREANNXTWCMITM-GXSJLCMTSA-N 1 0 330.385 -1.270 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001133513867 787192428 /nfs/dbraw/zinc/19/24/28/787192428.db2.gz ZREANNXTWCMITM-KOLCDFICSA-N 1 0 330.385 -1.270 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001133513868 787192658 /nfs/dbraw/zinc/19/26/58/787192658.db2.gz ZREANNXTWCMITM-MWLCHTKSSA-N 1 0 330.385 -1.270 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001133513869 787192130 /nfs/dbraw/zinc/19/21/30/787192130.db2.gz ZREANNXTWCMITM-ONGXEEELSA-N 1 0 330.385 -1.270 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001133514800 787191941 /nfs/dbraw/zinc/19/19/41/787191941.db2.gz LEDPNRGYSIBSOE-NEPJUHHUSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001133514801 787192725 /nfs/dbraw/zinc/19/27/25/787192725.db2.gz LEDPNRGYSIBSOE-NWDGAFQWSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001133514802 787192678 /nfs/dbraw/zinc/19/26/78/787192678.db2.gz LEDPNRGYSIBSOE-RYUDHWBXSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001133514803 787192160 /nfs/dbraw/zinc/19/21/60/787192160.db2.gz LEDPNRGYSIBSOE-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001133514988 787192692 /nfs/dbraw/zinc/19/26/92/787192692.db2.gz MJBQUVSWWBSYKA-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001133514989 787191930 /nfs/dbraw/zinc/19/19/30/787191930.db2.gz MJBQUVSWWBSYKA-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001133514990 787192140 /nfs/dbraw/zinc/19/21/40/787192140.db2.gz MJBQUVSWWBSYKA-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001133514991 787191874 /nfs/dbraw/zinc/19/18/74/787191874.db2.gz MJBQUVSWWBSYKA-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133515540 787192301 /nfs/dbraw/zinc/19/23/01/787192301.db2.gz QYEYUBWCRPBLHS-GHMZBOCLSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133515541 787192597 /nfs/dbraw/zinc/19/25/97/787192597.db2.gz QYEYUBWCRPBLHS-MNOVXSKESA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133515542 787192183 /nfs/dbraw/zinc/19/21/83/787192183.db2.gz QYEYUBWCRPBLHS-QWRGUYRKSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133515543 787192685 /nfs/dbraw/zinc/19/26/85/787192685.db2.gz QYEYUBWCRPBLHS-WDEREUQCSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133515908 787191847 /nfs/dbraw/zinc/19/18/47/787191847.db2.gz SQJCYQPWZIPWOM-NXEZZACHSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133515909 787191696 /nfs/dbraw/zinc/19/16/96/787191696.db2.gz SQJCYQPWZIPWOM-UWVGGRQHSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133515910 787191961 /nfs/dbraw/zinc/19/19/61/787191961.db2.gz SQJCYQPWZIPWOM-VHSXEESVSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133515911 787192401 /nfs/dbraw/zinc/19/24/01/787192401.db2.gz SQJCYQPWZIPWOM-ZJUUUORDSA-N 1 0 341.412 -1.016 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001133516204 787192410 /nfs/dbraw/zinc/19/24/10/787192410.db2.gz YBTTZOHPZKIKGQ-NXEZZACHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001133516205 787192144 /nfs/dbraw/zinc/19/21/44/787192144.db2.gz YBTTZOHPZKIKGQ-UWVGGRQHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001133516206 787192461 /nfs/dbraw/zinc/19/24/61/787192461.db2.gz YBTTZOHPZKIKGQ-VHSXEESVSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001133516207 787191979 /nfs/dbraw/zinc/19/19/79/787191979.db2.gz YBTTZOHPZKIKGQ-ZJUUUORDSA-N 1 0 329.401 -1.159 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001133517094 787192455 /nfs/dbraw/zinc/19/24/55/787192455.db2.gz KQCSPVPZTBYCLU-NEPJUHHUSA-N 1 0 337.442 -1.365 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001133517095 787191919 /nfs/dbraw/zinc/19/19/19/787191919.db2.gz KQCSPVPZTBYCLU-NWDGAFQWSA-N 1 0 337.442 -1.365 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001133517096 787192277 /nfs/dbraw/zinc/19/22/77/787192277.db2.gz KQCSPVPZTBYCLU-RYUDHWBXSA-N 1 0 337.442 -1.365 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001133517097 787192786 /nfs/dbraw/zinc/19/27/86/787192786.db2.gz KQCSPVPZTBYCLU-VXGBXAGGSA-N 1 0 337.442 -1.365 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001133517253 787192750 /nfs/dbraw/zinc/19/27/50/787192750.db2.gz LYMKZQHVYUGSHK-LLVKDONJSA-N 1 0 346.428 -1.616 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001133517254 787192289 /nfs/dbraw/zinc/19/22/89/787192289.db2.gz LYMKZQHVYUGSHK-NSHDSACASA-N 1 0 346.428 -1.616 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133517717 787192776 /nfs/dbraw/zinc/19/27/76/787192776.db2.gz QMAALKDCLFZYCH-LLVKDONJSA-N 1 0 325.431 -1.317 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133517718 787191796 /nfs/dbraw/zinc/19/17/96/787191796.db2.gz QMAALKDCLFZYCH-NSHDSACASA-N 1 0 325.431 -1.317 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001133517855 787191891 /nfs/dbraw/zinc/19/18/91/787191891.db2.gz WBGUVKWCXVMBBW-KBPBESRZSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001133517856 787192610 /nfs/dbraw/zinc/19/26/10/787192610.db2.gz WBGUVKWCXVMBBW-KGLIPLIRSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001133517857 787192466 /nfs/dbraw/zinc/19/24/66/787192466.db2.gz WBGUVKWCXVMBBW-UONOGXRCSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001133517858 787192122 /nfs/dbraw/zinc/19/21/22/787192122.db2.gz WBGUVKWCXVMBBW-ZIAGYGMSSA-N 1 0 343.424 -1.009 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[C@@H]1CCCO1 ZINC001133533620 787191934 /nfs/dbraw/zinc/19/19/34/787191934.db2.gz YGUPGWRXLWWULF-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[C@H]1CCCO1 ZINC001133533621 787192167 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349.399 -1.132 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cn1cnnn1 ZINC001133614815 787192575 /nfs/dbraw/zinc/19/25/75/787192575.db2.gz KQZKKYUHFLXAQE-WDEREUQCSA-N 1 0 349.399 -1.132 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]CC(=O)N1CCOCC1 ZINC001133615064 787191884 /nfs/dbraw/zinc/19/18/84/787191884.db2.gz NDODNEXAQRFWNE-NEPJUHHUSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)Cn1cnnn1 ZINC001133615065 787192316 /nfs/dbraw/zinc/19/23/16/787192316.db2.gz NDODNEXAQRFWNE-NWDGAFQWSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)Cn1cnnn1 ZINC001133615066 787192323 /nfs/dbraw/zinc/19/23/23/787192323.db2.gz NDODNEXAQRFWNE-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)Cn1cnnn1 ZINC001133615067 787192379 /nfs/dbraw/zinc/19/23/79/787192379.db2.gz NDODNEXAQRFWNE-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO NC(=O)CCc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001133615401 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EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133616994 787193806 /nfs/dbraw/zinc/19/38/06/787193806.db2.gz YCYGLYPQHGRBKG-ZJUUUORDSA-N 1 0 340.388 -1.608 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cn1cnnn1 ZINC001133617031 787194126 /nfs/dbraw/zinc/19/41/26/787194126.db2.gz YTUQKPZHSGCDES-GHMZBOCLSA-N 1 0 347.383 -1.025 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]CC(=O)Nc1cnccn1 ZINC001133617032 787193759 /nfs/dbraw/zinc/19/37/59/787193759.db2.gz YTUQKPZHSGCDES-MNOVXSKESA-N 1 0 347.383 -1.025 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cn1cnnn1 ZINC001133617033 787194004 /nfs/dbraw/zinc/19/40/04/787194004.db2.gz YTUQKPZHSGCDES-QWRGUYRKSA-N 1 0 347.383 -1.025 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cn1cnnn1 ZINC001133617034 787193320 /nfs/dbraw/zinc/19/33/20/787193320.db2.gz YTUQKPZHSGCDES-WDEREUQCSA-N 1 0 347.383 -1.025 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133617203 787194118 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CC(=O)NCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133617858 787193591 /nfs/dbraw/zinc/19/35/91/787193591.db2.gz BVUODTMIKDPYBA-MNOVXSKESA-N 1 0 331.417 -1.320 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133617860 787193960 /nfs/dbraw/zinc/19/39/60/787193960.db2.gz BVUODTMIKDPYBA-QWRGUYRKSA-N 1 0 331.417 -1.320 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133617861 787193804 /nfs/dbraw/zinc/19/38/04/787193804.db2.gz BVUODTMIKDPYBA-WDEREUQCSA-N 1 0 331.417 -1.320 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133617899 787193619 /nfs/dbraw/zinc/19/36/19/787193619.db2.gz CBTVRRDNACSXQS-UHFFFAOYSA-N 1 0 341.397 -1.647 20 0 EAADRO Cc1oncc1C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133617905 787193462 /nfs/dbraw/zinc/19/34/62/787193462.db2.gz COXREGQCDVTUII-UHFFFAOYSA-N 1 0 328.354 -1.127 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C1CC1 ZINC001133617921 787193306 /nfs/dbraw/zinc/19/33/06/787193306.db2.gz 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PFMKTMHOEGLZKB-NXEZZACHSA-N 1 0 344.416 -1.237 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619987 787194571 /nfs/dbraw/zinc/19/45/71/787194571.db2.gz PFMKTMHOEGLZKB-UWVGGRQHSA-N 1 0 344.416 -1.237 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619988 787194696 /nfs/dbraw/zinc/19/46/96/787194696.db2.gz PFMKTMHOEGLZKB-VHSXEESVSA-N 1 0 344.416 -1.237 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619989 787195179 /nfs/dbraw/zinc/19/51/79/787195179.db2.gz PFMKTMHOEGLZKB-ZJUUUORDSA-N 1 0 344.416 -1.237 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133620042 787195117 /nfs/dbraw/zinc/19/51/17/787195117.db2.gz PZUKHOAOZYWXSQ-NEPJUHHUSA-N 1 0 341.416 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133620043 787195265 /nfs/dbraw/zinc/19/52/65/787195265.db2.gz PZUKHOAOZYWXSQ-NWDGAFQWSA-N 1 0 341.416 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133620044 787194768 /nfs/dbraw/zinc/19/47/68/787194768.db2.gz PZUKHOAOZYWXSQ-RYUDHWBXSA-N 1 0 341.416 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133620045 787195355 /nfs/dbraw/zinc/19/53/55/787195355.db2.gz PZUKHOAOZYWXSQ-VXGBXAGGSA-N 1 0 341.416 -1.301 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1cnnn1 ZINC001133620059 787194979 /nfs/dbraw/zinc/19/49/79/787194979.db2.gz QBCLBWKRLABRRK-NXEZZACHSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1cnnn1 ZINC001133620061 787195274 /nfs/dbraw/zinc/19/52/74/787195274.db2.gz QBCLBWKRLABRRK-UWVGGRQHSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1cnnn1 ZINC001133620063 787195286 /nfs/dbraw/zinc/19/52/86/787195286.db2.gz QBCLBWKRLABRRK-VHSXEESVSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]CCN1C(=O)CNC1=O ZINC001133620064 787195101 /nfs/dbraw/zinc/19/51/01/787195101.db2.gz QBCLBWKRLABRRK-ZJUUUORDSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CNC(N)=O ZINC001133620129 787195212 /nfs/dbraw/zinc/19/52/12/787195212.db2.gz QTGSIGSPASYSCT-NXEZZACHSA-N 1 0 342.400 -2.514 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CNC(N)=O ZINC001133620132 787194839 /nfs/dbraw/zinc/19/48/39/787194839.db2.gz QTGSIGSPASYSCT-UWVGGRQHSA-N 1 0 342.400 -2.514 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CNC(N)=O ZINC001133620133 787194955 /nfs/dbraw/zinc/19/49/55/787194955.db2.gz QTGSIGSPASYSCT-VHSXEESVSA-N 1 0 342.400 -2.514 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133620135 787195032 /nfs/dbraw/zinc/19/50/32/787195032.db2.gz QTGSIGSPASYSCT-ZJUUUORDSA-N 1 0 342.400 -2.514 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133620254 787195145 /nfs/dbraw/zinc/19/51/45/787195145.db2.gz RUVBGSYXXDKZHE-GHMZBOCLSA-N 1 0 331.417 -1.320 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133620255 787194828 /nfs/dbraw/zinc/19/48/28/787194828.db2.gz RUVBGSYXXDKZHE-MNOVXSKESA-N 1 0 331.417 -1.320 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133620256 787194941 /nfs/dbraw/zinc/19/49/41/787194941.db2.gz RUVBGSYXXDKZHE-QWRGUYRKSA-N 1 0 331.417 -1.320 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133620257 787195282 /nfs/dbraw/zinc/19/52/82/787195282.db2.gz RUVBGSYXXDKZHE-WDEREUQCSA-N 1 0 331.417 -1.320 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133620402 787194602 /nfs/dbraw/zinc/19/46/02/787194602.db2.gz SXXLPXCQKCJKFD-BDAKNGLRSA-N 1 0 342.400 -1.484 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CNC(N)=O ZINC001133620405 787194743 /nfs/dbraw/zinc/19/47/43/787194743.db2.gz SXXLPXCQKCJKFD-DTWKUNHWSA-N 1 0 342.400 -1.484 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CNC(N)=O ZINC001133620406 787195334 /nfs/dbraw/zinc/19/53/34/787195334.db2.gz SXXLPXCQKCJKFD-IUCAKERBSA-N 1 0 342.400 -1.484 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CNC(N)=O ZINC001133620408 787195134 /nfs/dbraw/zinc/19/51/34/787195134.db2.gz SXXLPXCQKCJKFD-RKDXNWHRSA-N 1 0 342.400 -1.484 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnc2n1CCOC2)NC(=O)CNC(N)=O ZINC001133620494 787194661 /nfs/dbraw/zinc/19/46/61/787194661.db2.gz UOWVEJMVQORNNI-NXEZZACHSA-N 1 0 339.400 -1.151 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnc2n1CCOC2)NC(=O)CNC(N)=O ZINC001133620495 787195339 /nfs/dbraw/zinc/19/53/39/787195339.db2.gz UOWVEJMVQORNNI-UWVGGRQHSA-N 1 0 339.400 -1.151 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnc2n1CCOC2)NC(=O)CNC(N)=O ZINC001133620496 787195313 /nfs/dbraw/zinc/19/53/13/787195313.db2.gz UOWVEJMVQORNNI-VHSXEESVSA-N 1 0 339.400 -1.151 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]Cc1nnc2n1CCOC2 ZINC001133620497 787195183 /nfs/dbraw/zinc/19/51/83/787195183.db2.gz UOWVEJMVQORNNI-ZJUUUORDSA-N 1 0 339.400 -1.151 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1CCCS1(=O)=O)NC(=O)CNC(N)=O ZINC001133620600 787195224 /nfs/dbraw/zinc/19/52/24/787195224.db2.gz VWGNAWCFNSYQDV-GHMZBOCLSA-N 1 0 349.457 -1.437 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CCN1CCCS1(=O)=O ZINC001133620605 787194588 /nfs/dbraw/zinc/19/45/88/787194588.db2.gz VWGNAWCFNSYQDV-MNOVXSKESA-N 1 0 349.457 -1.437 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1CCCS1(=O)=O)NC(=O)CNC(N)=O ZINC001133620607 787195040 /nfs/dbraw/zinc/19/50/40/787195040.db2.gz VWGNAWCFNSYQDV-QWRGUYRKSA-N 1 0 349.457 -1.437 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1CCCS1(=O)=O)NC(=O)CNC(N)=O ZINC001133620609 787195182 /nfs/dbraw/zinc/19/51/82/787195182.db2.gz VWGNAWCFNSYQDV-WDEREUQCSA-N 1 0 349.457 -1.437 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)CNC(N)=O ZINC001133620766 787194858 /nfs/dbraw/zinc/19/48/58/787194858.db2.gz XAPITZKEMURABV-NXEZZACHSA-N 1 0 337.384 -1.044 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)CNC(N)=O ZINC001133620767 787194641 /nfs/dbraw/zinc/19/46/41/787194641.db2.gz XAPITZKEMURABV-UWVGGRQHSA-N 1 0 337.384 -1.044 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)CNC(N)=O ZINC001133620768 787195123 /nfs/dbraw/zinc/19/51/23/787195123.db2.gz XAPITZKEMURABV-VHSXEESVSA-N 1 0 337.384 -1.044 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CC(=O)Nc1cnccn1 ZINC001133620769 787195230 /nfs/dbraw/zinc/19/52/30/787195230.db2.gz XAPITZKEMURABV-ZJUUUORDSA-N 1 0 337.384 -1.044 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133621034 787195221 /nfs/dbraw/zinc/19/52/21/787195221.db2.gz ZAHQDSANDBGWTQ-GHMZBOCLSA-N 1 0 347.445 -1.563 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]CCN(C)S(C)(=O)=O ZINC001133621035 787195021 /nfs/dbraw/zinc/19/50/21/787195021.db2.gz ZAHQDSANDBGWTQ-MNOVXSKESA-N 1 0 347.445 -1.563 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133621036 787195227 /nfs/dbraw/zinc/19/52/27/787195227.db2.gz ZAHQDSANDBGWTQ-QWRGUYRKSA-N 1 0 347.445 -1.563 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133621037 787195047 /nfs/dbraw/zinc/19/50/47/787195047.db2.gz ZAHQDSANDBGWTQ-WDEREUQCSA-N 1 0 347.445 -1.563 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133621102 787195269 /nfs/dbraw/zinc/19/52/69/787195269.db2.gz ZRTZKRWWVVVFLS-BDAKNGLRSA-N 1 0 326.361 -1.998 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133621104 787195233 /nfs/dbraw/zinc/19/52/33/787195233.db2.gz ZRTZKRWWVVVFLS-DTWKUNHWSA-N 1 0 326.361 -1.998 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133621105 787195057 /nfs/dbraw/zinc/19/50/57/787195057.db2.gz ZRTZKRWWVVVFLS-IUCAKERBSA-N 1 0 326.361 -1.998 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133621107 787195220 /nfs/dbraw/zinc/19/52/20/787195220.db2.gz ZRTZKRWWVVVFLS-RKDXNWHRSA-N 1 0 326.361 -1.998 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CNC(N)=O ZINC001133621205 787194706 /nfs/dbraw/zinc/19/47/06/787194706.db2.gz ZWYGTMXUYDUDQE-NXEZZACHSA-N 1 0 337.446 -1.581 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CNC(N)=O ZINC001133621213 787195258 /nfs/dbraw/zinc/19/52/58/787195258.db2.gz ZWYGTMXUYDUDQE-UWVGGRQHSA-N 1 0 337.446 -1.581 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CNC(N)=O ZINC001133621214 787195111 /nfs/dbraw/zinc/19/51/11/787195111.db2.gz ZWYGTMXUYDUDQE-VHSXEESVSA-N 1 0 337.446 -1.581 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CCN(C)S(C)(=O)=O ZINC001133621215 787195303 /nfs/dbraw/zinc/19/53/03/787195303.db2.gz ZWYGTMXUYDUDQE-ZJUUUORDSA-N 1 0 337.446 -1.581 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133621481 787194988 /nfs/dbraw/zinc/19/49/88/787194988.db2.gz DJXBHHRNCNHFFV-UHFFFAOYSA-N 1 0 336.392 -1.000 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)c2c[nH]nc2S(N)(=O)=O)C1=O ZINC001133621482 787195278 /nfs/dbraw/zinc/19/52/78/787195278.db2.gz DNDCKBRQTIYGFN-SECBINFHSA-N 1 0 344.397 -2.003 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)c2c[nH]nc2S(N)(=O)=O)C1=O ZINC001133621483 787194892 /nfs/dbraw/zinc/19/48/92/787194892.db2.gz DNDCKBRQTIYGFN-VIFPVBQESA-N 1 0 344.397 -2.003 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)N(C)C ZINC001133621493 787195175 /nfs/dbraw/zinc/19/51/75/787195175.db2.gz DZSCQFFROCEUKL-SSDOTTSWSA-N 1 0 332.386 -2.147 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)N(C)C ZINC001133621494 787195166 /nfs/dbraw/zinc/19/51/66/787195166.db2.gz DZSCQFFROCEUKL-ZETCQYMHSA-N 1 0 332.386 -2.147 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133621508 787195253 /nfs/dbraw/zinc/19/52/53/787195253.db2.gz FMYBKBMXXOWGNL-UHFFFAOYSA-N 1 0 328.358 -2.332 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621518 787194920 /nfs/dbraw/zinc/19/49/20/787194920.db2.gz FUYXOWXSKIBAKQ-UHFFFAOYSA-N 1 0 346.413 -1.851 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)NC(N)=O ZINC001133621526 787195073 /nfs/dbraw/zinc/19/50/73/787195073.db2.gz FYJQRSCBKGKEBG-RXMQYKEDSA-N 1 0 347.357 -3.040 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)NC(N)=O ZINC001133621527 787195359 /nfs/dbraw/zinc/19/53/59/787195359.db2.gz FYJQRSCBKGKEBG-YFKPBYRVSA-N 1 0 347.357 -3.040 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133621532 787195346 /nfs/dbraw/zinc/19/53/46/787195346.db2.gz GHMAZFLCYBPHQW-UHFFFAOYSA-N 1 0 335.364 -2.337 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(N)=O ZINC001133621562 787195000 /nfs/dbraw/zinc/19/50/00/787195000.db2.gz HMDSQQNXKFVKDX-SECBINFHSA-N 1 0 346.413 -1.579 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(N)=O ZINC001133621563 787195141 /nfs/dbraw/zinc/19/51/41/787195141.db2.gz HMDSQQNXKFVKDX-VIFPVBQESA-N 1 0 346.413 -1.579 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133621567 787195187 /nfs/dbraw/zinc/19/51/87/787195187.db2.gz HNHIZDNTRXGONM-JTQLQIEISA-N 1 0 337.380 -1.061 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133621568 787194616 /nfs/dbraw/zinc/19/46/16/787194616.db2.gz HNHIZDNTRXGONM-SNVBAGLBSA-N 1 0 337.380 -1.061 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]CCOCC1CC1 ZINC001133621603 787195108 /nfs/dbraw/zinc/19/51/08/787195108.db2.gz JCULDZGALVFFSA-UHFFFAOYSA-N 1 0 331.398 -1.197 20 0 EAADRO Cc1nccnc1C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621630 787194812 /nfs/dbraw/zinc/19/48/12/787194812.db2.gz KJIQSRLHMOUONX-UHFFFAOYSA-N 1 0 339.381 -1.325 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001133621661 787195261 /nfs/dbraw/zinc/19/52/61/787195261.db2.gz LYGTWECOPGKGKM-SECBINFHSA-N 1 0 331.398 -1.054 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001133621662 787195094 /nfs/dbraw/zinc/19/50/94/787195094.db2.gz LYGTWECOPGKGKM-VIFPVBQESA-N 1 0 331.398 -1.054 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621676 787194883 /nfs/dbraw/zinc/19/48/83/787194883.db2.gz MMGOUMJTFBQIQE-MRVPVSSYSA-N 1 0 346.413 -1.709 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621677 787194902 /nfs/dbraw/zinc/19/49/02/787194902.db2.gz MMGOUMJTFBQIQE-QMMMGPOBSA-N 1 0 346.413 -1.709 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133621702 787195246 /nfs/dbraw/zinc/19/52/46/787195246.db2.gz NSSCVPRSJUPDBY-UHFFFAOYSA-N 1 0 337.380 -1.060 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]CC1CCOCC1 ZINC001133621722 787196026 /nfs/dbraw/zinc/19/60/26/787196026.db2.gz PBKPMPOVHGPKSB-UHFFFAOYSA-N 1 0 331.398 -1.197 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)c2c[nH]nc2S(N)(=O)=O)C1=O ZINC001133621730 787196417 /nfs/dbraw/zinc/19/64/17/787196417.db2.gz PJZUZUBDMJGFGX-MRVPVSSYSA-N 1 0 330.370 -2.393 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)c2c[nH]nc2S(N)(=O)=O)C1=O ZINC001133621731 787196544 /nfs/dbraw/zinc/19/65/44/787196544.db2.gz PJZUZUBDMJGFGX-QMMMGPOBSA-N 1 0 330.370 -2.393 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001133621738 787196192 /nfs/dbraw/zinc/19/61/92/787196192.db2.gz PVYXMKFVSSSXQF-GFCCVEGCSA-N 1 0 336.392 -1.000 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001133621739 787196438 /nfs/dbraw/zinc/19/64/38/787196438.db2.gz PVYXMKFVSSSXQF-LBPRGKRZSA-N 1 0 336.392 -1.000 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133621749 787196526 /nfs/dbraw/zinc/19/65/26/787196526.db2.gz QLCYOVMJEAIQLT-UHFFFAOYSA-N 1 0 344.397 -2.001 20 0 EAADRO Cc1ncoc1C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621751 787195767 /nfs/dbraw/zinc/19/57/67/787195767.db2.gz QMMWVRADWBUOKL-UHFFFAOYSA-N 1 0 328.354 -1.127 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133621762 787196283 /nfs/dbraw/zinc/19/62/83/787196283.db2.gz RFBQAFQHHANXGS-UHFFFAOYSA-N 1 0 342.421 -1.260 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133621766 787195666 /nfs/dbraw/zinc/19/56/66/787195666.db2.gz RJJZDZOOLJOYOR-UHFFFAOYSA-N 1 0 344.397 -2.097 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133621838 787195755 /nfs/dbraw/zinc/19/57/55/787195755.db2.gz WEWHWYXUQDNWPS-UHFFFAOYSA-N 1 0 327.370 -1.727 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133621851 787196295 /nfs/dbraw/zinc/19/62/95/787196295.db2.gz WXBRSWGOPNZEAA-UHFFFAOYSA-N 1 0 335.364 -1.307 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001133621881 787196055 /nfs/dbraw/zinc/19/60/55/787196055.db2.gz XUEYZYAZBYCETD-NOZJJQNGSA-N 1 0 343.409 -1.197 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001133621882 787196172 /nfs/dbraw/zinc/19/61/72/787196172.db2.gz XUEYZYAZBYCETD-RNCFNFMXSA-N 1 0 343.409 -1.197 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001133621883 787196197 /nfs/dbraw/zinc/19/61/97/787196197.db2.gz XUEYZYAZBYCETD-TVQRCGJNSA-N 1 0 343.409 -1.197 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001133621884 787196342 /nfs/dbraw/zinc/19/63/42/787196342.db2.gz XUEYZYAZBYCETD-ZANVPECISA-N 1 0 343.409 -1.197 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)NC1CC1 ZINC001133621885 787196337 /nfs/dbraw/zinc/19/63/37/787196337.db2.gz XYSUDTXVSKJGPE-SSDOTTSWSA-N 1 0 344.397 -1.956 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)NC1CC1 ZINC001133621886 787196275 /nfs/dbraw/zinc/19/62/75/787196275.db2.gz XYSUDTXVSKJGPE-ZETCQYMHSA-N 1 0 344.397 -1.956 20 0 EAADRO Cc1cnc(C[NH2+]CCNC(=O)c2c[nH]nc2S(N)(=O)=O)cn1 ZINC001133621889 787196033 /nfs/dbraw/zinc/19/60/33/787196033.db2.gz YIRSRYIIEDOXBZ-UHFFFAOYSA-N 1 0 339.381 -1.325 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)c2c[nH]nc2S(N)(=O)=O)o1 ZINC001133621905 787192195 /nfs/dbraw/zinc/19/21/95/787192195.db2.gz ZAZVFGLUFVHTFX-UHFFFAOYSA-N 1 0 328.354 -1.127 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133622856 787196436 /nfs/dbraw/zinc/19/64/36/787196436.db2.gz IZKYTWWSKMQNER-NXEZZACHSA-N 1 0 337.446 -1.533 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133622857 787195625 /nfs/dbraw/zinc/19/56/25/787195625.db2.gz IZKYTWWSKMQNER-UWVGGRQHSA-N 1 0 337.446 -1.533 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133622858 787196007 /nfs/dbraw/zinc/19/60/07/787196007.db2.gz IZKYTWWSKMQNER-VHSXEESVSA-N 1 0 337.446 -1.533 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133622859 787196116 /nfs/dbraw/zinc/19/61/16/787196116.db2.gz IZKYTWWSKMQNER-ZJUUUORDSA-N 1 0 337.446 -1.533 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001133623245 787195971 /nfs/dbraw/zinc/19/59/71/787195971.db2.gz KAWHORQBHXVHPC-NXEZZACHSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001133623246 787196175 /nfs/dbraw/zinc/19/61/75/787196175.db2.gz KAWHORQBHXVHPC-UWVGGRQHSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001133623247 787196080 /nfs/dbraw/zinc/19/60/80/787196080.db2.gz KAWHORQBHXVHPC-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CCCN1C(=O)CNC1=O ZINC001133623248 787196046 /nfs/dbraw/zinc/19/60/46/787196046.db2.gz KAWHORQBHXVHPC-ZJUUUORDSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CCN1C(=O)CNC1=O ZINC001133623853 787195615 /nfs/dbraw/zinc/19/56/15/787195615.db2.gz PKRLPUQJPXYTRR-BDAKNGLRSA-N 1 0 328.373 -1.921 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001133623854 787196272 /nfs/dbraw/zinc/19/62/72/787196272.db2.gz PKRLPUQJPXYTRR-DTWKUNHWSA-N 1 0 328.373 -1.921 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001133623855 787195591 /nfs/dbraw/zinc/19/55/91/787195591.db2.gz PKRLPUQJPXYTRR-IUCAKERBSA-N 1 0 328.373 -1.921 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001133623856 787196458 /nfs/dbraw/zinc/19/64/58/787196458.db2.gz PKRLPUQJPXYTRR-RKDXNWHRSA-N 1 0 328.373 -1.921 20 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/nfs/dbraw/zinc/19/65/54/787196554.db2.gz ITQVOLUYYWJYAT-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133631794 787196207 /nfs/dbraw/zinc/19/62/07/787196207.db2.gz GFUFHCLEWCVIRD-UHFFFAOYSA-N 1 0 347.375 -1.698 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)CNC(N)=O ZINC001133632293 787196384 /nfs/dbraw/zinc/19/63/84/787196384.db2.gz DZQJONMRUVVCCL-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)CNC(N)=O ZINC001133632294 787195733 /nfs/dbraw/zinc/19/57/33/787195733.db2.gz DZQJONMRUVVCCL-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)CNC(N)=O ZINC001133632295 787196252 /nfs/dbraw/zinc/19/62/52/787196252.db2.gz DZQJONMRUVVCCL-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CCN1C(=O)CCC1=O ZINC001133632296 787195982 /nfs/dbraw/zinc/19/59/82/787195982.db2.gz DZQJONMRUVVCCL-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133632477 787196249 /nfs/dbraw/zinc/19/62/49/787196249.db2.gz GGHNPJQNPDWHCS-NXEZZACHSA-N 1 0 333.418 -1.905 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133632478 787195911 /nfs/dbraw/zinc/19/59/11/787195911.db2.gz GGHNPJQNPDWHCS-UWVGGRQHSA-N 1 0 333.418 -1.905 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133632479 787196317 /nfs/dbraw/zinc/19/63/17/787196317.db2.gz GGHNPJQNPDWHCS-VHSXEESVSA-N 1 0 333.418 -1.905 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]CCNS(C)(=O)=O ZINC001133632480 787196265 /nfs/dbraw/zinc/19/62/65/787196265.db2.gz GGHNPJQNPDWHCS-ZJUUUORDSA-N 1 0 333.418 -1.905 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)Cn1cnnn1 ZINC001133633069 787196120 /nfs/dbraw/zinc/19/61/20/787196120.db2.gz NCGFYLUVWPZGAF-GHMZBOCLSA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]CCN1C(=O)CCC1=O ZINC001133633070 787196396 /nfs/dbraw/zinc/19/63/96/787196396.db2.gz NCGFYLUVWPZGAF-MNOVXSKESA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)Cn1cnnn1 ZINC001133633071 787196199 /nfs/dbraw/zinc/19/61/99/787196199.db2.gz NCGFYLUVWPZGAF-QWRGUYRKSA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)Cn1cnnn1 ZINC001133633072 787196534 /nfs/dbraw/zinc/19/65/34/787196534.db2.gz NCGFYLUVWPZGAF-WDEREUQCSA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133633297 787195814 /nfs/dbraw/zinc/19/58/14/787195814.db2.gz QFMAOGFPFYEZNX-GHMZBOCLSA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]CCCS(C)(=O)=O ZINC001133633298 787196170 /nfs/dbraw/zinc/19/61/70/787196170.db2.gz QFMAOGFPFYEZNX-MNOVXSKESA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133633299 787196375 /nfs/dbraw/zinc/19/63/75/787196375.db2.gz QFMAOGFPFYEZNX-QWRGUYRKSA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001133633300 787196263 /nfs/dbraw/zinc/19/62/63/787196263.db2.gz QFMAOGFPFYEZNX-WDEREUQCSA-N 1 0 332.430 -1.019 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133633609 787196392 /nfs/dbraw/zinc/19/63/92/787196392.db2.gz VDADYGMULNGJAM-GHMZBOCLSA-N 1 0 347.445 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133633610 787196111 /nfs/dbraw/zinc/19/61/11/787196111.db2.gz VDADYGMULNGJAM-MNOVXSKESA-N 1 0 347.445 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133633611 787196230 /nfs/dbraw/zinc/19/62/30/787196230.db2.gz VDADYGMULNGJAM-QWRGUYRKSA-N 1 0 347.445 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133633612 787196569 /nfs/dbraw/zinc/19/65/69/787196569.db2.gz VDADYGMULNGJAM-WDEREUQCSA-N 1 0 347.445 -1.515 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1(CF)CC1)NC[C@H]1CCS(=O)(=O)C1 ZINC001133635966 787196177 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KDBIZURJZNPERE-OLZOCXBDSA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1)NC[C@@H]1CCOC1 ZINC001133694248 787197873 /nfs/dbraw/zinc/19/78/73/787197873.db2.gz KDBIZURJZNPERE-QWHCGFSZSA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1)NC[C@@H]1CCOC1 ZINC001133694249 787197345 /nfs/dbraw/zinc/19/73/45/787197345.db2.gz KDBIZURJZNPERE-STQMWFEESA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCCC(=O)N1 ZINC001133694387 787198172 /nfs/dbraw/zinc/19/81/72/787198172.db2.gz LJPBUSAYLIWTMT-JTQLQIEISA-N 1 0 325.369 -1.697 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCCC(=O)N1 ZINC001133694388 787197288 /nfs/dbraw/zinc/19/72/88/787197288.db2.gz LJPBUSAYLIWTMT-SNVBAGLBSA-N 1 0 325.369 -1.697 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCCC(=O)N1 ZINC001133694622 787197724 /nfs/dbraw/zinc/19/77/24/787197724.db2.gz UGCMCVOPVHAWFA-LLVKDONJSA-N 1 0 339.396 -1.307 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCCC(=O)N1 ZINC001133694623 787198187 /nfs/dbraw/zinc/19/81/87/787198187.db2.gz UGCMCVOPVHAWFA-NSHDSACASA-N 1 0 339.396 -1.307 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133694724 787198414 /nfs/dbraw/zinc/19/84/14/787198414.db2.gz XLNUVEIKVJWBKK-LLVKDONJSA-N 1 0 334.442 -1.310 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133694725 787198052 /nfs/dbraw/zinc/19/80/52/787198052.db2.gz XLNUVEIKVJWBKK-NSHDSACASA-N 1 0 334.442 -1.310 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133694749 787198260 /nfs/dbraw/zinc/19/82/60/787198260.db2.gz YEVVQHVLEPMLAX-NXEZZACHSA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133694750 787197670 /nfs/dbraw/zinc/19/76/70/787197670.db2.gz YEVVQHVLEPMLAX-UWVGGRQHSA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133694751 787197558 /nfs/dbraw/zinc/19/75/58/787197558.db2.gz YEVVQHVLEPMLAX-VHSXEESVSA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133694752 787198426 /nfs/dbraw/zinc/19/84/26/787198426.db2.gz YEVVQHVLEPMLAX-ZJUUUORDSA-N 1 0 327.385 -1.405 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(-n2cccn2)ccn1 ZINC001133694763 787197300 /nfs/dbraw/zinc/19/73/00/787197300.db2.gz YLDNIEFQVUIQNE-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(-n2cccn2)n1 ZINC001133697179 787197361 /nfs/dbraw/zinc/19/73/61/787197361.db2.gz ZPLDPTDADKTMGB-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cncn1 ZINC001133701646 787198208 /nfs/dbraw/zinc/19/82/08/787198208.db2.gz DQQUPWRIJBVNNG-NXEZZACHSA-N 1 0 325.373 -1.264 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cncn1 ZINC001133701647 787197169 /nfs/dbraw/zinc/19/71/69/787197169.db2.gz DQQUPWRIJBVNNG-UWVGGRQHSA-N 1 0 325.373 -1.264 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cncn1 ZINC001133701648 787198147 /nfs/dbraw/zinc/19/81/47/787198147.db2.gz DQQUPWRIJBVNNG-VHSXEESVSA-N 1 0 325.373 -1.264 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]CC(=O)NC(N)=O ZINC001133701649 787197311 /nfs/dbraw/zinc/19/73/11/787197311.db2.gz DQQUPWRIJBVNNG-ZJUUUORDSA-N 1 0 325.373 -1.264 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)c1 ZINC001133704221 787197149 /nfs/dbraw/zinc/19/71/49/787197149.db2.gz DHSSZZCOCQLFAB-JTQLQIEISA-N 1 0 338.364 -1.149 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)c1 ZINC001133704222 787198365 /nfs/dbraw/zinc/19/83/65/787198365.db2.gz DHSSZZCOCQLFAB-SNVBAGLBSA-N 1 0 338.364 -1.149 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133704298 787197314 /nfs/dbraw/zinc/19/73/14/787197314.db2.gz GWZMQRHDPXUYAV-UHFFFAOYSA-N 1 0 332.382 -1.363 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(C(N)=O)co2)CCO1 ZINC001133704452 787198434 /nfs/dbraw/zinc/19/84/34/787198434.db2.gz JCFQNWQFZDHRTP-JTQLQIEISA-N 1 0 338.364 -1.055 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(C(N)=O)co2)CCO1 ZINC001133704453 787197910 /nfs/dbraw/zinc/19/79/10/787197910.db2.gz JCFQNWQFZDHRTP-SNVBAGLBSA-N 1 0 338.364 -1.055 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)c1 ZINC001133704644 787198237 /nfs/dbraw/zinc/19/82/37/787198237.db2.gz LMHTVCRRYOARNG-UHFFFAOYSA-N 1 0 337.336 -1.360 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2cc(C(N)=O)co2)cc(=O)n(C)c1=O ZINC001133704747 787198135 /nfs/dbraw/zinc/19/81/35/787198135.db2.gz PDSBAPOKJFQXHX-UHFFFAOYSA-N 1 0 349.347 -1.705 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133704996 787197127 /nfs/dbraw/zinc/19/71/27/787197127.db2.gz SDUIYTVVSSUZCC-UHFFFAOYSA-N 1 0 346.409 -1.021 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133705078 787198097 /nfs/dbraw/zinc/19/80/97/787198097.db2.gz UTWGSWBLVVWLAT-SSDOTTSWSA-N 1 0 325.325 -1.458 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133705081 787198273 /nfs/dbraw/zinc/19/82/73/787198273.db2.gz UTWGSWBLVVWLAT-ZETCQYMHSA-N 1 0 325.325 -1.458 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133708803 787197409 /nfs/dbraw/zinc/19/74/09/787197409.db2.gz CBSKVBVEFVHKKO-UHFFFAOYSA-N 1 0 339.352 -1.066 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133708818 787197391 /nfs/dbraw/zinc/19/73/91/787197391.db2.gz CXWZLTFPNVRAKZ-MRVPVSSYSA-N 1 0 339.352 -1.068 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133708819 787197203 /nfs/dbraw/zinc/19/72/03/787197203.db2.gz CXWZLTFPNVRAKZ-QMMMGPOBSA-N 1 0 339.352 -1.068 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133708895 787197221 /nfs/dbraw/zinc/19/72/21/787197221.db2.gz DEAIPBIYNHTTEF-UHFFFAOYSA-N 1 0 326.353 -1.149 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)c1 ZINC001133708900 787197934 /nfs/dbraw/zinc/19/79/34/787197934.db2.gz DIBUAKLAGUCPSP-LLVKDONJSA-N 1 0 338.364 -1.007 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)c1 ZINC001133708901 787197330 /nfs/dbraw/zinc/19/73/30/787197330.db2.gz DIBUAKLAGUCPSP-NSHDSACASA-N 1 0 338.364 -1.007 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)c1 ZINC001133708917 787197854 /nfs/dbraw/zinc/19/78/54/787197854.db2.gz FDVGQNUNGUFGLV-NSHDSACASA-N 1 0 338.364 -1.319 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133708937 787198300 /nfs/dbraw/zinc/19/83/00/787198300.db2.gz GBRIVQQLSZXYEC-UHFFFAOYSA-N 1 0 326.353 -1.149 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001133709305 787198387 /nfs/dbraw/zinc/19/83/87/787198387.db2.gz MUCMCUHIOVTWMV-UHFFFAOYSA-N 1 0 337.336 -2.344 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)c1 ZINC001133709489 787198352 /nfs/dbraw/zinc/19/83/52/787198352.db2.gz RCXKARUJKAXMCV-UHFFFAOYSA-N 1 0 344.393 -1.267 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)c1 ZINC001133709523 787197518 /nfs/dbraw/zinc/19/75/18/787197518.db2.gz SCBXTBWQHGWHKE-UHFFFAOYSA-N 1 0 337.336 -1.314 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133709714 787197177 /nfs/dbraw/zinc/19/71/77/787197177.db2.gz WPFJQOAYIGAUHY-UHFFFAOYSA-N 1 0 325.325 -1.456 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cc(C(N)=O)co1)S(C)(=O)=O ZINC001133709753 787198039 /nfs/dbraw/zinc/19/80/39/787198039.db2.gz YBNACMBHROYIPO-UHFFFAOYSA-N 1 0 332.382 -1.411 20 0 EAADRO NC(=O)c1coc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)c1 ZINC001133709765 787197374 /nfs/dbraw/zinc/19/73/74/787197374.db2.gz YLDYPXWMMKTUBN-UHFFFAOYSA-N 1 0 338.364 -1.007 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133712425 787198201 /nfs/dbraw/zinc/19/82/01/787198201.db2.gz IDTIRLTVBIFHJA-LLVKDONJSA-N 1 0 329.353 -1.278 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133712427 787199845 /nfs/dbraw/zinc/19/98/45/787199845.db2.gz IDTIRLTVBIFHJA-NSHDSACASA-N 1 0 329.353 -1.278 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133712450 787199249 /nfs/dbraw/zinc/19/92/49/787199249.db2.gz IOTNNSGSVTZBJK-UHFFFAOYSA-N 1 0 326.353 -1.149 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133740749 787199269 /nfs/dbraw/zinc/19/92/69/787199269.db2.gz HZQBFQSGTINLED-NXEZZACHSA-N 1 0 329.401 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133740750 787199905 /nfs/dbraw/zinc/19/99/05/787199905.db2.gz HZQBFQSGTINLED-UWVGGRQHSA-N 1 0 329.401 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133740751 787199310 /nfs/dbraw/zinc/19/93/10/787199310.db2.gz HZQBFQSGTINLED-VHSXEESVSA-N 1 0 329.401 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133740752 787199295 /nfs/dbraw/zinc/19/92/95/787199295.db2.gz HZQBFQSGTINLED-ZJUUUORDSA-N 1 0 329.401 -1.207 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133742424 787199134 /nfs/dbraw/zinc/19/91/34/787199134.db2.gz XISADTBVBKZZMQ-NXEZZACHSA-N 1 0 326.401 -1.040 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133742425 787200010 /nfs/dbraw/zinc/20/00/10/787200010.db2.gz XISADTBVBKZZMQ-UWVGGRQHSA-N 1 0 326.401 -1.040 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133742426 787199411 /nfs/dbraw/zinc/19/94/11/787199411.db2.gz XISADTBVBKZZMQ-VHSXEESVSA-N 1 0 326.401 -1.040 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133742427 787199397 /nfs/dbraw/zinc/19/93/97/787199397.db2.gz XISADTBVBKZZMQ-ZJUUUORDSA-N 1 0 326.401 -1.040 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133745268 787200082 /nfs/dbraw/zinc/20/00/82/787200082.db2.gz HTONKIIOSKVRRW-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133745269 787200128 /nfs/dbraw/zinc/20/01/28/787200128.db2.gz HTONKIIOSKVRRW-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133745270 787200267 /nfs/dbraw/zinc/20/02/67/787200267.db2.gz HTONKIIOSKVRRW-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133745271 787200347 /nfs/dbraw/zinc/20/03/47/787200347.db2.gz HTONKIIOSKVRRW-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133746132 787199608 /nfs/dbraw/zinc/19/96/08/787199608.db2.gz TVUSBSOENKEDSZ-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133746133 787200363 /nfs/dbraw/zinc/20/03/63/787200363.db2.gz TVUSBSOENKEDSZ-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133746134 787199758 /nfs/dbraw/zinc/19/97/58/787199758.db2.gz TVUSBSOENKEDSZ-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133746135 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MUOSJWZZUSULSB-OAHLLOKOSA-N 1 0 339.396 -1.451 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753995 787200208 /nfs/dbraw/zinc/20/02/08/787200208.db2.gz PQVHLFUZOWLADV-ABAIWWIYSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133753996 787199711 /nfs/dbraw/zinc/19/97/11/787199711.db2.gz PQVHLFUZOWLADV-IAQYHMDHSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753997 787200178 /nfs/dbraw/zinc/20/01/78/787200178.db2.gz PQVHLFUZOWLADV-NHYWBVRUSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754098 787199438 /nfs/dbraw/zinc/19/94/38/787199438.db2.gz PQVHLFUZOWLADV-XHDPSFHLSA-N 1 0 328.413 -1.240 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@]2(C)CCNC2=O)cc(=O)n(C)c1=O ZINC001133754113 787199432 /nfs/dbraw/zinc/19/94/32/787199432.db2.gz QBAZPWWHESLPMS-HNNXBMFYSA-N 1 0 337.380 -2.184 20 0 EAADRO 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C[C@@]1(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CCNC1=O ZINC001133767183 787203624 /nfs/dbraw/zinc/20/36/24/787203624.db2.gz XWWOULWNLYUQQL-MLGOLLRUSA-N 1 0 343.424 -1.225 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CCNC1=O ZINC001133767184 787203047 /nfs/dbraw/zinc/20/30/47/787203047.db2.gz XWWOULWNLYUQQL-WBMJQRKESA-N 1 0 343.424 -1.225 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CCNC1=O ZINC001133767230 787203658 /nfs/dbraw/zinc/20/36/58/787203658.db2.gz YWZLHXCDDDOHJL-BXUZGUMPSA-N 1 0 346.453 -1.500 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CCNC1=O ZINC001133767231 787203350 /nfs/dbraw/zinc/20/33/50/787203350.db2.gz YWZLHXCDDDOHJL-FZMZJTMJSA-N 1 0 346.453 -1.500 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CCNC1=O ZINC001133767232 787202800 /nfs/dbraw/zinc/20/28/00/787202800.db2.gz YWZLHXCDDDOHJL-RISCZKNCSA-N 1 0 346.453 -1.500 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CCNC1=O ZINC001133767233 787203752 /nfs/dbraw/zinc/20/37/52/787203752.db2.gz YWZLHXCDDDOHJL-SMDDNHRTSA-N 1 0 346.453 -1.500 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001133767252 787203797 /nfs/dbraw/zinc/20/37/97/787203797.db2.gz ZMNRDJFQCZKFGQ-ABAIWWIYSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001133767253 787203526 /nfs/dbraw/zinc/20/35/26/787203526.db2.gz ZMNRDJFQCZKFGQ-IAQYHMDHSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001133767254 787202812 /nfs/dbraw/zinc/20/28/12/787202812.db2.gz ZMNRDJFQCZKFGQ-NHYWBVRUSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001133767255 787202683 /nfs/dbraw/zinc/20/26/83/787202683.db2.gz ZMNRDJFQCZKFGQ-XHDPSFHLSA-N 1 0 326.397 -1.534 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770692 787199772 /nfs/dbraw/zinc/19/97/72/787199772.db2.gz FDYASNYTLPMFGO-NWDGAFQWSA-N 1 0 326.397 -1.407 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770699 787199575 /nfs/dbraw/zinc/19/95/75/787199575.db2.gz FMDZTMYGMPWXGM-KXUCPTDWSA-N 1 0 343.384 -2.041 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770700 787199467 /nfs/dbraw/zinc/19/94/67/787199467.db2.gz FMDZTMYGMPWXGM-LPEHRKFASA-N 1 0 343.384 -2.041 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)O1 ZINC001133770887 787199461 /nfs/dbraw/zinc/19/94/61/787199461.db2.gz IKDRUJSWGSXMQI-NWDGAFQWSA-N 1 0 326.397 -1.359 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133771003 787198970 /nfs/dbraw/zinc/19/89/70/787198970.db2.gz KBPDSEYDVNBDSS-WDEREUQCSA-N 1 0 330.385 -2.122 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nccs2)O1 ZINC001133771060 787202059 /nfs/dbraw/zinc/20/20/59/787202059.db2.gz MNAIEGYLIKSKJX-DTWKUNHWSA-N 1 0 341.393 -1.180 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)O1 ZINC001133771105 787201150 /nfs/dbraw/zinc/20/11/50/787201150.db2.gz OOMJTZWCCNSWAK-NWDGAFQWSA-N 1 0 342.396 -1.980 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)on1 ZINC001133771135 787201818 /nfs/dbraw/zinc/20/18/18/787201818.db2.gz QCHVZJUQJKDNBS-VHSXEESVSA-N 1 0 339.352 -1.340 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)O1 ZINC001133771169 787201598 /nfs/dbraw/zinc/20/15/98/787201598.db2.gz RYRWHHDCSYGTPS-QWHCGFSZSA-N 1 0 349.391 -1.564 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)O1 ZINC001133771241 787200783 /nfs/dbraw/zinc/20/07/83/787200783.db2.gz WUUYDBNPTLISNJ-NWDGAFQWSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)O1 ZINC001133771280 787201781 /nfs/dbraw/zinc/20/17/81/787201781.db2.gz ZESPAUNBTWDEEN-JGVFFNPUSA-N 1 0 340.302 -1.596 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001133771287 787200804 /nfs/dbraw/zinc/20/08/04/787200804.db2.gz ZLLKOJOLBUDROO-QWHCGFSZSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772968 787201394 /nfs/dbraw/zinc/20/13/94/787201394.db2.gz CWFWUIZQCCUNND-NXEZZACHSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772969 787200771 /nfs/dbraw/zinc/20/07/71/787200771.db2.gz CWFWUIZQCCUNND-UWVGGRQHSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772970 787201922 /nfs/dbraw/zinc/20/19/22/787201922.db2.gz CWFWUIZQCCUNND-VHSXEESVSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772971 787201749 /nfs/dbraw/zinc/20/17/49/787201749.db2.gz CWFWUIZQCCUNND-ZJUUUORDSA-N 1 0 341.412 -1.159 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)O1 ZINC001133773130 787201086 /nfs/dbraw/zinc/20/10/86/787201086.db2.gz ALIIWCHAOWFYHJ-JGVFFNPUSA-N 1 0 342.381 -1.785 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)O1 ZINC001133773158 787201897 /nfs/dbraw/zinc/20/18/97/787201897.db2.gz BAOURSMAOQBCEB-NWDGAFQWSA-N 1 0 326.397 -1.216 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCc2ccco2)O1 ZINC001133773189 787200873 /nfs/dbraw/zinc/20/08/73/787200873.db2.gz BLYPERHRKJJTCF-NWDGAFQWSA-N 1 0 338.364 -1.366 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773200 787202081 /nfs/dbraw/zinc/20/20/81/787202081.db2.gz BQPCMAJPFMOZDA-GRYCIOLGSA-N 1 0 328.413 -1.114 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773201 787202098 /nfs/dbraw/zinc/20/20/98/787202098.db2.gz BQPCMAJPFMOZDA-SDDRHHMPSA-N 1 0 328.413 -1.114 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773222 787200576 /nfs/dbraw/zinc/20/05/76/787200576.db2.gz CRGCQVFFWDUNPO-NWDGAFQWSA-N 1 0 330.385 -2.122 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)no1 ZINC001133773237 787201911 /nfs/dbraw/zinc/20/19/11/787201911.db2.gz FBPYZIUYWSBSRM-VHSXEESVSA-N 1 0 339.352 -1.340 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001133773246 787201329 /nfs/dbraw/zinc/20/13/29/787201329.db2.gz FKYYDSHQLHBXCR-FRRDWIJNSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001133773247 787201015 /nfs/dbraw/zinc/20/10/15/787201015.db2.gz FKYYDSHQLHBXCR-RWMBFGLXSA-N 1 0 340.424 -1.016 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)O1 ZINC001133773397 787201573 /nfs/dbraw/zinc/20/15/73/787201573.db2.gz GAEBHUHLAIOQCN-GARJFASQSA-N 1 0 333.410 -1.840 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)O1 ZINC001133773400 787201929 /nfs/dbraw/zinc/20/19/29/787201929.db2.gz GAEBHUHLAIOQCN-OUAUKWLOSA-N 1 0 333.410 -1.840 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773436 787201841 /nfs/dbraw/zinc/20/18/41/787201841.db2.gz GTZFSNHFOYQWOX-DTWKUNHWSA-N 1 0 329.357 -2.429 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)O1 ZINC001133773439 787201853 /nfs/dbraw/zinc/20/18/53/787201853.db2.gz GWUKGYACBAQGTA-SDDRHHMPSA-N 1 0 342.396 -2.292 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001133773513 787201388 /nfs/dbraw/zinc/20/13/88/787201388.db2.gz ILRJBURFKBQUSB-WDEREUQCSA-N 1 0 347.437 -1.450 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)O1 ZINC001133773515 787200557 /nfs/dbraw/zinc/20/05/57/787200557.db2.gz IMUZJRYXDHZJJQ-WDEREUQCSA-N 1 0 328.369 -2.416 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)O1 ZINC001133773524 787201032 /nfs/dbraw/zinc/20/10/32/787201032.db2.gz IUCUZVRAMVHEEN-GRYCIOLGSA-N 1 0 342.396 -1.980 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)O1 ZINC001133773525 787202027 /nfs/dbraw/zinc/20/20/27/787202027.db2.gz IUCUZVRAMVHEEN-SDDRHHMPSA-N 1 0 342.396 -1.980 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)O1 ZINC001133773535 787201951 /nfs/dbraw/zinc/20/19/51/787201951.db2.gz JFIBQZXLSCQRSF-WDEREUQCSA-N 1 0 348.425 -2.239 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)O1 ZINC001133773741 787201136 /nfs/dbraw/zinc/20/11/36/787201136.db2.gz LFKYTKLYVCMVSY-NWDGAFQWSA-N 1 0 347.437 -1.450 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001133773826 787200665 /nfs/dbraw/zinc/20/06/65/787200665.db2.gz MVFVPOXAWSSYJO-VHSXEESVSA-N 1 0 341.368 -3.317 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773981 787202009 /nfs/dbraw/zinc/20/20/09/787202009.db2.gz OMTSWVSGEIAHCK-WDEREUQCSA-N 1 0 330.385 -2.122 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)O1 ZINC001133773986 787200848 /nfs/dbraw/zinc/20/08/48/787200848.db2.gz OPUDTRXEYOWOBU-GRYCIOLGSA-N 1 0 347.437 -1.450 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)O1 ZINC001133773987 787201709 /nfs/dbraw/zinc/20/17/09/787201709.db2.gz OPUDTRXEYOWOBU-SDDRHHMPSA-N 1 0 347.437 -1.450 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)S(C)(=O)=O ZINC001133774010 787201655 /nfs/dbraw/zinc/20/16/55/787201655.db2.gz OSWSCCBGZRVOHB-VHSXEESVSA-N 1 0 336.414 -2.384 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774139 787201506 /nfs/dbraw/zinc/20/15/06/787201506.db2.gz QWUJZEVXXSMCMW-VHSXEESVSA-N 1 0 343.384 -2.039 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774170 787200897 /nfs/dbraw/zinc/20/08/97/787200897.db2.gz SHOWAEHRRFGDIE-WDEREUQCSA-N 1 0 329.401 -1.567 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)O1 ZINC001133774299 787201861 /nfs/dbraw/zinc/20/18/61/787201861.db2.gz UMLHKMUMQNRQPB-GRYCIOLGSA-N 1 0 347.437 -1.450 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)O1 ZINC001133774300 787201076 /nfs/dbraw/zinc/20/10/76/787201076.db2.gz UMLHKMUMQNRQPB-SDDRHHMPSA-N 1 0 347.437 -1.450 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)O1 ZINC001133774313 787201962 /nfs/dbraw/zinc/20/19/62/787201962.db2.gz UYGNWFPZUPPRSN-VHSXEESVSA-N 1 0 336.352 -1.846 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774319 787201741 /nfs/dbraw/zinc/20/17/41/787201741.db2.gz VHZGEYXFTUCZMB-WDEREUQCSA-N 1 0 343.428 -1.177 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774349 787201003 /nfs/dbraw/zinc/20/10/03/787201003.db2.gz WKLXWDHRKGFXEG-GRYCIOLGSA-N 1 0 333.385 -2.251 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774350 787201173 /nfs/dbraw/zinc/20/11/73/787201173.db2.gz WKLXWDHRKGFXEG-SDDRHHMPSA-N 1 0 333.385 -2.251 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)O1 ZINC001133774472 787201498 /nfs/dbraw/zinc/20/14/98/787201498.db2.gz XNURBXYGLGDNFT-GRYCIOLGSA-N 1 0 326.397 -1.359 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)O1 ZINC001133774473 787201104 /nfs/dbraw/zinc/20/11/04/787201104.db2.gz XNURBXYGLGDNFT-SDDRHHMPSA-N 1 0 326.397 -1.359 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)O1 ZINC001133774491 787200645 /nfs/dbraw/zinc/20/06/45/787200645.db2.gz YLEQWOPPVHZWTP-VHSXEESVSA-N 1 0 341.368 -2.287 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]CC(=O)NC(N)=O ZINC001133774574 787200859 /nfs/dbraw/zinc/20/08/59/787200859.db2.gz OMWRQXDANCEXBO-BDAKNGLRSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001133774575 787200947 /nfs/dbraw/zinc/20/09/47/787200947.db2.gz OMWRQXDANCEXBO-DTWKUNHWSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001133774576 787201565 /nfs/dbraw/zinc/20/15/65/787201565.db2.gz OMWRQXDANCEXBO-IUCAKERBSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001133774577 787201622 /nfs/dbraw/zinc/20/16/22/787201622.db2.gz OMWRQXDANCEXBO-RKDXNWHRSA-N 1 0 327.385 -1.420 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133776644 787200585 /nfs/dbraw/zinc/20/05/85/787200585.db2.gz GUZCSDBCXXWHCC-WDEREUQCSA-N 1 0 342.421 -1.043 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133776721 787201632 /nfs/dbraw/zinc/20/16/32/787201632.db2.gz JLJLGJPHDKFXMO-WDEREUQCSA-N 1 0 328.413 -1.113 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C3CCC3)C2=O)O1 ZINC001133777005 787201674 /nfs/dbraw/zinc/20/16/74/787201674.db2.gz RPIOUIYKNMXLEU-FRRDWIJNSA-N 1 0 338.408 -1.122 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCN(C3CCC3)C2=O)O1 ZINC001133777006 787200622 /nfs/dbraw/zinc/20/06/22/787200622.db2.gz RPIOUIYKNMXLEU-RWMBFGLXSA-N 1 0 338.408 -1.122 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)O1 ZINC001133781163 787202873 /nfs/dbraw/zinc/20/28/73/787202873.db2.gz AVOQJMVXUZCGAE-VHSXEESVSA-N 1 0 341.368 -2.333 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781179 787202791 /nfs/dbraw/zinc/20/27/91/787202791.db2.gz BLFLZKURAFSPHH-NWDGAFQWSA-N 1 0 349.453 -1.062 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781187 787203191 /nfs/dbraw/zinc/20/31/91/787203191.db2.gz BPDWGKASFRLBTR-WDEREUQCSA-N 1 0 335.426 -1.450 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)O1 ZINC001133781199 787203560 /nfs/dbraw/zinc/20/35/60/787203560.db2.gz CDUXXLATIRCOQR-DTWKUNHWSA-N 1 0 325.325 -1.648 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781211 787203633 /nfs/dbraw/zinc/20/36/33/787203633.db2.gz CULFVHYYEQPUCT-HRDYMLBCSA-N 1 0 329.357 -2.431 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781212 787202734 /nfs/dbraw/zinc/20/27/34/787202734.db2.gz CULFVHYYEQPUCT-XHNCKOQMSA-N 1 0 329.357 -2.431 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001133781217 787203826 /nfs/dbraw/zinc/20/38/26/787203826.db2.gz DCPMUTNJQUGQGJ-NWDGAFQWSA-N 1 0 326.397 -1.264 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781228 787202551 /nfs/dbraw/zinc/20/25/51/787202551.db2.gz DIDCUUIRHIWQBC-FRRDWIJNSA-N 1 0 331.413 -1.241 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781229 787203378 /nfs/dbraw/zinc/20/33/78/787203378.db2.gz DIDCUUIRHIWQBC-RWMBFGLXSA-N 1 0 331.413 -1.241 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)O1 ZINC001133781230 787203854 /nfs/dbraw/zinc/20/38/54/787203854.db2.gz DJESWFKIXMNJBE-DTWKUNHWSA-N 1 0 327.341 -2.723 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001133781231 787202950 /nfs/dbraw/zinc/20/29/50/787202950.db2.gz DKCCDORXDYAJLW-GRYCIOLGSA-N 1 0 326.397 -1.266 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001133781232 787203291 /nfs/dbraw/zinc/20/32/91/787203291.db2.gz DKCCDORXDYAJLW-SDDRHHMPSA-N 1 0 326.397 -1.266 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001133781257 787203170 /nfs/dbraw/zinc/20/31/70/787203170.db2.gz FFGBXDVQVLCOOR-GRYCIOLGSA-N 1 0 342.396 -2.028 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001133781258 787202932 /nfs/dbraw/zinc/20/29/32/787202932.db2.gz FFGBXDVQVLCOOR-SDDRHHMPSA-N 1 0 342.396 -2.028 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CS(C)(=O)=O ZINC001133781385 787203406 /nfs/dbraw/zinc/20/34/06/787203406.db2.gz HUTCRHKFMSOJSF-GARJFASQSA-N 1 0 335.426 -1.594 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CS(C)(=O)=O ZINC001133781387 787203768 /nfs/dbraw/zinc/20/37/68/787203768.db2.gz HUTCRHKFMSOJSF-OUAUKWLOSA-N 1 0 335.426 -1.594 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)O1 ZINC001133781431 787203474 /nfs/dbraw/zinc/20/34/74/787203474.db2.gz IJCWGBOFNPAEMG-FRRDWIJNSA-N 1 0 329.397 -1.079 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)O1 ZINC001133781432 787202750 /nfs/dbraw/zinc/20/27/50/787202750.db2.gz IJCWGBOFNPAEMG-RWMBFGLXSA-N 1 0 329.397 -1.079 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1=O ZINC001133781532 787203057 /nfs/dbraw/zinc/20/30/57/787203057.db2.gz IRWDQXKZQIYULH-NWDGAFQWSA-N 1 0 339.348 -1.113 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781738 787203862 /nfs/dbraw/zinc/20/38/62/787203862.db2.gz OECDPHLKOZCMBJ-GRYCIOLGSA-N 1 0 328.413 -1.020 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781739 787202901 /nfs/dbraw/zinc/20/29/01/787202901.db2.gz OECDPHLKOZCMBJ-SDDRHHMPSA-N 1 0 328.413 -1.020 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001133781765 787203772 /nfs/dbraw/zinc/20/37/72/787203772.db2.gz PRRBBCFGMLOUKS-ADEWGFFLSA-N 1 0 326.397 -1.360 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001133781766 787202967 /nfs/dbraw/zinc/20/29/67/787202967.db2.gz PRRBBCFGMLOUKS-ZMLRMANQSA-N 1 0 326.397 -1.360 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781933 787203332 /nfs/dbraw/zinc/20/33/32/787203332.db2.gz XFNABUWGORZAKT-VHSXEESVSA-N 1 0 336.414 -2.336 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)O1 ZINC001133781949 787203035 /nfs/dbraw/zinc/20/30/35/787203035.db2.gz YEAHYRQVFUOJPP-FRRDWIJNSA-N 1 0 329.397 -1.079 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)O1 ZINC001133781950 787203819 /nfs/dbraw/zinc/20/38/19/787203819.db2.gz YEAHYRQVFUOJPP-RWMBFGLXSA-N 1 0 329.397 -1.079 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)O1 ZINC001133781953 787203460 /nfs/dbraw/zinc/20/34/60/787203460.db2.gz YGYDJFROBLTUJI-GRYCIOLGSA-N 1 0 342.396 -2.122 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)O1 ZINC001133781954 787203090 /nfs/dbraw/zinc/20/30/90/787203090.db2.gz YGYDJFROBLTUJI-SDDRHHMPSA-N 1 0 342.396 -2.122 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O ZINC001133783291 787203431 /nfs/dbraw/zinc/20/34/31/787203431.db2.gz DSOOTANKFGMHBM-UPJWGTAASA-N 1 0 340.424 -1.051 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O ZINC001133783292 787203542 /nfs/dbraw/zinc/20/35/42/787203542.db2.gz DSOOTANKFGMHBM-XQQFMLRXSA-N 1 0 340.424 -1.051 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133783448 787203757 /nfs/dbraw/zinc/20/37/57/787203757.db2.gz GJAVXSHIYVAAGX-NEPJUHHUSA-N 1 0 328.413 -1.146 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)O1 ZINC001133783566 787203666 /nfs/dbraw/zinc/20/36/66/787203666.db2.gz HSIZCEHUZNIFFH-AXFHLTTASA-N 1 0 340.380 -1.867 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)O1 ZINC001133783567 787203389 /nfs/dbraw/zinc/20/33/89/787203389.db2.gz HSIZCEHUZNIFFH-MXWKQRLJSA-N 1 0 340.380 -1.867 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)O1 ZINC001133783837 787203184 /nfs/dbraw/zinc/20/31/84/787203184.db2.gz LOGBTPNYAPSYKV-VHSXEESVSA-N 1 0 326.353 -2.126 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCCN2CCCC2=O)O1 ZINC001133784216 787203310 /nfs/dbraw/zinc/20/33/10/787203310.db2.gz QXLUGLZSOLTBNT-NWDGAFQWSA-N 1 0 326.397 -1.262 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001133784303 787203359 /nfs/dbraw/zinc/20/33/59/787203359.db2.gz SAUFNYYOAFMZCW-BDAKNGLRSA-N 1 0 329.357 -2.477 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133784367 787203837 /nfs/dbraw/zinc/20/38/37/787203837.db2.gz SMNAKANIQVCPQB-GRYCIOLGSA-N 1 0 328.413 -1.018 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133784370 787202628 /nfs/dbraw/zinc/20/26/28/787202628.db2.gz SMNAKANIQVCPQB-SDDRHHMPSA-N 1 0 328.413 -1.018 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133784385 787202669 /nfs/dbraw/zinc/20/26/69/787202669.db2.gz TULMLKQNDDHHTG-GRYCIOLGSA-N 1 0 344.412 -1.734 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133784389 787202611 /nfs/dbraw/zinc/20/26/11/787202611.db2.gz TULMLKQNDDHHTG-SDDRHHMPSA-N 1 0 344.412 -1.734 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)O1 ZINC001133784627 787203079 /nfs/dbraw/zinc/20/30/79/787203079.db2.gz UPKSSOGCANBFFW-GRYCIOLGSA-N 1 0 325.369 -2.017 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)O1 ZINC001133784628 787203678 /nfs/dbraw/zinc/20/36/78/787203678.db2.gz UPKSSOGCANBFFW-SDDRHHMPSA-N 1 0 325.369 -2.017 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)O1 ZINC001133784656 787203616 /nfs/dbraw/zinc/20/36/16/787203616.db2.gz VSZOTFJMHYZTET-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133784665 787203448 /nfs/dbraw/zinc/20/34/48/787203448.db2.gz WPSCDISVFOJBTJ-OLZOCXBDSA-N 1 0 331.413 -1.009 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133784823 787202775 /nfs/dbraw/zinc/20/27/75/787202775.db2.gz YUEPTUQRRZCEGC-GRYCIOLGSA-N 1 0 328.413 -1.114 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133784824 787203507 /nfs/dbraw/zinc/20/35/07/787203507.db2.gz YUEPTUQRRZCEGC-SDDRHHMPSA-N 1 0 328.413 -1.114 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)O1 ZINC001133787315 787202994 /nfs/dbraw/zinc/20/29/94/787202994.db2.gz FAOPWEVNXHJGEY-OLZOCXBDSA-N 1 0 340.424 -1.146 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787332 787203486 /nfs/dbraw/zinc/20/34/86/787203486.db2.gz FNWMUUBBNZEGAE-NEPJUHHUSA-N 1 0 328.413 -1.194 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C2CC2)O1 ZINC001133787383 787203320 /nfs/dbraw/zinc/20/33/20/787203320.db2.gz HEEVQSDHRCKJLQ-OLZOCXBDSA-N 1 0 340.424 -1.051 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)O1 ZINC001133787385 787202414 /nfs/dbraw/zinc/20/24/14/787202414.db2.gz HFVSDDQCIINEHW-TUAOUCFPSA-N 1 0 326.397 -1.441 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)O1 ZINC001133787386 787203877 /nfs/dbraw/zinc/20/38/77/787203877.db2.gz HFVSDDQCIINEHW-UTUOFQBUSA-N 1 0 326.397 -1.441 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)O1 ZINC001133787451 787203694 /nfs/dbraw/zinc/20/36/94/787203694.db2.gz KEOXLHVASSDKDT-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)O1 ZINC001133787477 787203382 /nfs/dbraw/zinc/20/33/82/787203382.db2.gz LQAUBPFIPRARKW-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO O=C(NCC[NH2+]CCOCCO)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133787493 787203732 /nfs/dbraw/zinc/20/37/32/787203732.db2.gz MIGURZLHSAGZJX-UONOGXRCSA-N 1 0 343.424 -1.129 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)O1 ZINC001133787543 787203808 /nfs/dbraw/zinc/20/38/08/787203808.db2.gz PGUVQPDCRTYDKI-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)NC(N)=O ZINC001133787568 787203234 /nfs/dbraw/zinc/20/32/34/787203234.db2.gz QLPRJNYFGHHKAM-AEJSXWLSSA-N 1 0 343.384 -2.089 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)NC(N)=O ZINC001133787569 787203141 /nfs/dbraw/zinc/20/31/41/787203141.db2.gz QLPRJNYFGHHKAM-BBBLOLIVSA-N 1 0 343.384 -2.089 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)N(C)C ZINC001133787584 787203720 /nfs/dbraw/zinc/20/37/20/787203720.db2.gz RGHOLCIEOSOVJL-TUAOUCFPSA-N 1 0 328.413 -1.195 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)N(C)C ZINC001133787585 787202760 /nfs/dbraw/zinc/20/27/60/787202760.db2.gz RGHOLCIEOSOVJL-UTUOFQBUSA-N 1 0 328.413 -1.195 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)O1 ZINC001133787609 787203792 /nfs/dbraw/zinc/20/37/92/787203792.db2.gz SIUFVFPQDHWHJC-OLZOCXBDSA-N 1 0 340.424 -1.146 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1)C(N)=O ZINC001133787645 787203597 /nfs/dbraw/zinc/20/35/97/787203597.db2.gz UHWQYYMTLNBFJM-GRYCIOLGSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1)C(N)=O ZINC001133787646 787202982 /nfs/dbraw/zinc/20/29/82/787202982.db2.gz UHWQYYMTLNBFJM-SDDRHHMPSA-N 1 0 326.397 -1.264 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)O1 ZINC001133787665 787202481 /nfs/dbraw/zinc/20/24/81/787202481.db2.gz VMGOXNGXXUHLSU-NEPJUHHUSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133787728 787205186 /nfs/dbraw/zinc/20/51/86/787205186.db2.gz YHZPLBNQZAPKOO-FRRDWIJNSA-N 1 0 340.424 -1.003 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133787729 787205128 /nfs/dbraw/zinc/20/51/28/787205128.db2.gz YHZPLBNQZAPKOO-RWMBFGLXSA-N 1 0 340.424 -1.003 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)NC1CC1 ZINC001133787745 787204434 /nfs/dbraw/zinc/20/44/34/787204434.db2.gz ZCTRIVKIMXOFGD-RTXFEEFZSA-N 1 0 340.424 -1.005 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)NC1CC1 ZINC001133787746 787204295 /nfs/dbraw/zinc/20/42/95/787204295.db2.gz ZCTRIVKIMXOFGD-UHTWSYAYSA-N 1 0 340.424 -1.005 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133788638 787204569 /nfs/dbraw/zinc/20/45/69/787204569.db2.gz DYUOZWRZCAPUFQ-BDAKNGLRSA-N 1 0 331.373 -1.329 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133788639 787204315 /nfs/dbraw/zinc/20/43/15/787204315.db2.gz DYUOZWRZCAPUFQ-DTWKUNHWSA-N 1 0 331.373 -1.329 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133788640 787205516 /nfs/dbraw/zinc/20/55/16/787205516.db2.gz DYUOZWRZCAPUFQ-IUCAKERBSA-N 1 0 331.373 -1.329 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133788641 787204837 /nfs/dbraw/zinc/20/48/37/787204837.db2.gz DYUOZWRZCAPUFQ-RKDXNWHRSA-N 1 0 331.373 -1.329 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133789494 787205316 /nfs/dbraw/zinc/20/53/16/787205316.db2.gz LRKMIDVSQMSTOM-BDAKNGLRSA-N 1 0 328.373 -1.163 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133789495 787205550 /nfs/dbraw/zinc/20/55/50/787205550.db2.gz LRKMIDVSQMSTOM-DTWKUNHWSA-N 1 0 328.373 -1.163 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133789496 787205298 /nfs/dbraw/zinc/20/52/98/787205298.db2.gz LRKMIDVSQMSTOM-IUCAKERBSA-N 1 0 328.373 -1.163 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133789497 787205227 /nfs/dbraw/zinc/20/52/27/787205227.db2.gz LRKMIDVSQMSTOM-RKDXNWHRSA-N 1 0 328.373 -1.163 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)O1 ZINC001133791268 787205251 /nfs/dbraw/zinc/20/52/51/787205251.db2.gz BKQSJYMXKAMNPV-NEPJUHHUSA-N 1 0 326.397 -1.393 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)O1 ZINC001133791274 787204245 /nfs/dbraw/zinc/20/42/45/787204245.db2.gz BRTMQUMQQVNBFF-UPJWGTAASA-N 1 0 340.424 -1.051 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)O1 ZINC001133791275 787205669 /nfs/dbraw/zinc/20/56/69/787205669.db2.gz BRTMQUMQQVNBFF-XQQFMLRXSA-N 1 0 340.424 -1.051 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791285 787204372 /nfs/dbraw/zinc/20/43/72/787204372.db2.gz CFKGEMRJPKYRRS-FRRDWIJNSA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791286 787204608 /nfs/dbraw/zinc/20/46/08/787204608.db2.gz CFKGEMRJPKYRRS-RWMBFGLXSA-N 1 0 338.408 -1.249 20 0 EAADRO CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791310 787205561 /nfs/dbraw/zinc/20/55/61/787205561.db2.gz DJQHNQDKDLXANC-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)O1 ZINC001133791360 787205146 /nfs/dbraw/zinc/20/51/46/787205146.db2.gz GZRNUVSUISUHAM-MNOVXSKESA-N 1 0 335.426 -1.627 20 0 EAADRO CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791430 787204278 /nfs/dbraw/zinc/20/42/78/787204278.db2.gz KWYPRNKDBHOMBK-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)O1 ZINC001133791490 787205446 /nfs/dbraw/zinc/20/54/46/787205446.db2.gz NRUZGILEKPURFZ-TUAOUCFPSA-N 1 0 326.397 -1.393 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)O1 ZINC001133791491 787204692 /nfs/dbraw/zinc/20/46/92/787204692.db2.gz NRUZGILEKPURFZ-UTUOFQBUSA-N 1 0 326.397 -1.393 20 0 EAADRO CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791511 787205063 /nfs/dbraw/zinc/20/50/63/787205063.db2.gz OHPLTANLLPXWAI-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133791543 787205658 /nfs/dbraw/zinc/20/56/58/787205658.db2.gz PTTPITUKVKIHAU-NEPJUHHUSA-N 1 0 328.413 -1.147 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133791584 787204942 /nfs/dbraw/zinc/20/49/42/787204942.db2.gz SGKVGPSNWQANOS-ZJUUUORDSA-N 1 0 343.384 -2.216 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791653 787205432 /nfs/dbraw/zinc/20/54/32/787205432.db2.gz XDWJOCLQXIYMSE-HZSPNIEDSA-N 1 0 343.424 -1.131 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791654 787205633 /nfs/dbraw/zinc/20/56/33/787205633.db2.gz XDWJOCLQXIYMSE-MELADBBJSA-N 1 0 343.424 -1.131 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CNC(=O)C1CC1 ZINC001133792367 787205460 /nfs/dbraw/zinc/20/54/60/787205460.db2.gz ASHRVUXVTSZOAJ-GHMZBOCLSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]CCNS(C)(=O)=O ZINC001133792368 787205644 /nfs/dbraw/zinc/20/56/44/787205644.db2.gz ASHRVUXVTSZOAJ-MNOVXSKESA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CNC(=O)C1CC1 ZINC001133792369 787204785 /nfs/dbraw/zinc/20/47/85/787204785.db2.gz ASHRVUXVTSZOAJ-QWRGUYRKSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CNC(=O)C1CC1 ZINC001133792370 787204957 /nfs/dbraw/zinc/20/49/57/787204957.db2.gz ASHRVUXVTSZOAJ-WDEREUQCSA-N 1 0 348.469 -1.065 20 0 EAADRO Cn1cc(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c(Cl)n1 ZINC001133793964 787204268 /nfs/dbraw/zinc/20/42/68/787204268.db2.gz TYLGKQPVLMFICD-UHFFFAOYSA-N 1 0 342.787 -1.126 20 0 EAADRO Cn1cc(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)c(Cl)n1 ZINC001133794325 787204557 /nfs/dbraw/zinc/20/45/57/787204557.db2.gz ZMELSALFEYSRKX-UHFFFAOYSA-N 1 0 337.833 -1.129 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cn(C)nc1Cl ZINC001133794345 787204513 /nfs/dbraw/zinc/20/45/13/787204513.db2.gz ZSFNZUYGFRKHOS-UHFFFAOYSA-N 1 0 330.776 -1.223 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133795379 787202852 /nfs/dbraw/zinc/20/28/52/787202852.db2.gz WQGJWDJRLHHVPD-NXEZZACHSA-N 1 0 343.384 -1.233 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133795380 787203478 /nfs/dbraw/zinc/20/34/78/787203478.db2.gz WQGJWDJRLHHVPD-UWVGGRQHSA-N 1 0 343.384 -1.233 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133795381 787203593 /nfs/dbraw/zinc/20/35/93/787203593.db2.gz WQGJWDJRLHHVPD-VHSXEESVSA-N 1 0 343.384 -1.233 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001133795382 787203745 /nfs/dbraw/zinc/20/37/45/787203745.db2.gz WQGJWDJRLHHVPD-ZJUUUORDSA-N 1 0 343.384 -1.233 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cc1cn(C)nc1Cl)C(=O)NC(N)=O ZINC001133796862 787205383 /nfs/dbraw/zinc/20/53/83/787205383.db2.gz QHFVRBZYPAXZBB-SSDOTTSWSA-N 1 0 330.776 -1.095 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cc1cn(C)nc1Cl)C(=O)NC(N)=O ZINC001133796863 787205507 /nfs/dbraw/zinc/20/55/07/787205507.db2.gz QHFVRBZYPAXZBB-ZETCQYMHSA-N 1 0 330.776 -1.095 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2ncn(C)c2n1 ZINC001133804080 787204412 /nfs/dbraw/zinc/20/44/12/787204412.db2.gz LMRZZMPFSVNMRK-UHFFFAOYSA-N 1 0 333.352 -1.257 20 0 EAADRO Cn1cnc2ccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)nc21 ZINC001133806508 787205162 /nfs/dbraw/zinc/20/51/62/787205162.db2.gz PCRDMONTANVUGT-UHFFFAOYSA-N 1 0 340.409 -1.163 20 0 EAADRO Cc1ncccc1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133806568 787205648 /nfs/dbraw/zinc/20/56/48/787205648.db2.gz RYLVLINAOPRJKJ-UHFFFAOYSA-N 1 0 333.392 -1.403 20 0 EAADRO Cn1cnc2ccc(C(=O)NCC[NH2+]CCN3C(=O)CNC3=O)nc21 ZINC001133806657 787205627 /nfs/dbraw/zinc/20/56/27/787205627.db2.gz XERQQADOYQUWCI-UHFFFAOYSA-N 1 0 345.363 -1.161 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccc2ncn(C)c2n1)C(=O)NC(N)=O ZINC001133806671 787204860 /nfs/dbraw/zinc/20/48/60/787204860.db2.gz XWLVVBBWYMOBCR-MRVPVSSYSA-N 1 0 333.352 -1.129 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccc2ncn(C)c2n1)C(=O)NC(N)=O ZINC001133806672 787205209 /nfs/dbraw/zinc/20/52/09/787205209.db2.gz XWLVVBBWYMOBCR-QMMMGPOBSA-N 1 0 333.352 -1.129 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccn[nH]1 ZINC001133808568 787204478 /nfs/dbraw/zinc/20/44/78/787204478.db2.gz SMSFKNDANJDBOC-GHMZBOCLSA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ccn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133808569 787204795 /nfs/dbraw/zinc/20/47/95/787204795.db2.gz SMSFKNDANJDBOC-MNOVXSKESA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccn[nH]1 ZINC001133808570 787204545 /nfs/dbraw/zinc/20/45/45/787204545.db2.gz SMSFKNDANJDBOC-QWRGUYRKSA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccn[nH]1 ZINC001133808571 787204690 /nfs/dbraw/zinc/20/46/90/787204690.db2.gz SMSFKNDANJDBOC-WDEREUQCSA-N 1 0 336.396 -1.145 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ocnc1C1CC1)N1CCNC(=O)C1 ZINC001133810126 787204529 /nfs/dbraw/zinc/20/45/29/787204529.db2.gz NHGSOPHAJOARGH-UHFFFAOYSA-N 1 0 335.364 -1.170 20 0 EAADRO CC(C)(C)n1cnc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001133812569 787204201 /nfs/dbraw/zinc/20/42/01/787204201.db2.gz AIHPOJWWOYELDG-UHFFFAOYSA-N 1 0 337.384 -1.096 20 0 EAADRO CC(C)(C)n1cnc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001133812629 787205532 /nfs/dbraw/zinc/20/55/32/787205532.db2.gz CNFIHJRTIJNVLM-UHFFFAOYSA-N 1 0 332.430 -1.098 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ncn(C(C)(C)C)n1)C(=O)NC(N)=O ZINC001133813220 787204220 /nfs/dbraw/zinc/20/42/20/787204220.db2.gz PQNDBLLRPTVLRU-MRVPVSSYSA-N 1 0 325.373 -1.064 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ncn(C(C)(C)C)n1)C(=O)NC(N)=O ZINC001133813221 787205285 /nfs/dbraw/zinc/20/52/85/787205285.db2.gz PQNDBLLRPTVLRU-QMMMGPOBSA-N 1 0 325.373 -1.064 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133815617 787205359 /nfs/dbraw/zinc/20/53/59/787205359.db2.gz AMSDSMRMTOLDBE-NXEZZACHSA-N 1 0 338.430 -1.236 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133815618 787205077 /nfs/dbraw/zinc/20/50/77/787205077.db2.gz AMSDSMRMTOLDBE-UWVGGRQHSA-N 1 0 338.430 -1.236 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133815619 787205097 /nfs/dbraw/zinc/20/50/97/787205097.db2.gz AMSDSMRMTOLDBE-VHSXEESVSA-N 1 0 338.430 -1.236 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133815620 787205370 /nfs/dbraw/zinc/20/53/70/787205370.db2.gz AMSDSMRMTOLDBE-ZJUUUORDSA-N 1 0 338.430 -1.236 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001133819928 787204873 /nfs/dbraw/zinc/20/48/73/787204873.db2.gz RVJFOAXLXGTQJH-UHFFFAOYSA-N 1 0 325.373 -1.192 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cn[nH]c1 ZINC001133826835 787206662 /nfs/dbraw/zinc/20/66/62/787206662.db2.gz WYICLMRJOADCGC-GHMZBOCLSA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn[nH]c1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133826836 787207682 /nfs/dbraw/zinc/20/76/82/787207682.db2.gz WYICLMRJOADCGC-MNOVXSKESA-N 1 0 336.396 -1.145 20 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ZINC001133836151 787204994 /nfs/dbraw/zinc/20/49/94/787204994.db2.gz PLNYLJMUGGUKKD-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CS(C)(=O)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133836352 787204596 /nfs/dbraw/zinc/20/45/96/787204596.db2.gz QPUDFIGLPVKKML-BDAKNGLRSA-N 1 0 333.414 -1.474 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CS(C)(=O)=O ZINC001133836353 787204679 /nfs/dbraw/zinc/20/46/79/787204679.db2.gz QPUDFIGLPVKKML-DTWKUNHWSA-N 1 0 333.414 -1.474 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CS(C)(=O)=O ZINC001133836354 787205469 /nfs/dbraw/zinc/20/54/69/787205469.db2.gz QPUDFIGLPVKKML-IUCAKERBSA-N 1 0 333.414 -1.474 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CS(C)(=O)=O ZINC001133836355 787205421 /nfs/dbraw/zinc/20/54/21/787205421.db2.gz QPUDFIGLPVKKML-RKDXNWHRSA-N 1 0 333.414 -1.474 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133836896 787205639 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/nfs/dbraw/zinc/20/64/32/787206432.db2.gz ZGIXJNGZLYTOHG-UHFFFAOYSA-N 1 0 349.395 -1.148 20 0 EAADRO CCCC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133841048 787207743 /nfs/dbraw/zinc/20/77/43/787207743.db2.gz SFYYQPACLIJJMZ-NXEZZACHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133841049 787207372 /nfs/dbraw/zinc/20/73/72/787207372.db2.gz SFYYQPACLIJJMZ-UWVGGRQHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCCC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133841050 787207483 /nfs/dbraw/zinc/20/74/83/787207483.db2.gz SFYYQPACLIJJMZ-VHSXEESVSA-N 1 0 329.401 -1.030 20 0 EAADRO CCCC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133841051 787207059 /nfs/dbraw/zinc/20/70/59/787207059.db2.gz SFYYQPACLIJJMZ-ZJUUUORDSA-N 1 0 329.401 -1.030 20 0 EAADRO CCc1c(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)ccn1C ZINC001133842088 787207539 /nfs/dbraw/zinc/20/75/39/787207539.db2.gz AJAHQNCTWKGLFJ-UHFFFAOYSA-N 1 0 335.408 -1.135 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CS(C)(=O)=O ZINC001133843342 787207412 /nfs/dbraw/zinc/20/74/12/787207412.db2.gz AVMKZMJKNBINBU-NXEZZACHSA-N 1 0 343.471 -1.547 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CS(C)(=O)=O ZINC001133843343 787207000 /nfs/dbraw/zinc/20/70/00/787207000.db2.gz AVMKZMJKNBINBU-UWVGGRQHSA-N 1 0 343.471 -1.547 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CS(C)(=O)=O ZINC001133843344 787206267 /nfs/dbraw/zinc/20/62/67/787206267.db2.gz AVMKZMJKNBINBU-VHSXEESVSA-N 1 0 343.471 -1.547 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CS(C)(=O)=O)[NH2+]CCNS(C)(=O)=O ZINC001133843345 787206244 /nfs/dbraw/zinc/20/62/44/787206244.db2.gz AVMKZMJKNBINBU-ZJUUUORDSA-N 1 0 343.471 -1.547 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CS(C)(=O)=O ZINC001133844054 787207831 /nfs/dbraw/zinc/20/78/31/787207831.db2.gz MMWDGHYGJTVVEY-GHMZBOCLSA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CS(C)(=O)=O)[NH2+]CCN1CCNC1=O ZINC001133844055 787207250 /nfs/dbraw/zinc/20/72/50/787207250.db2.gz MMWDGHYGJTVVEY-MNOVXSKESA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CS(C)(=O)=O ZINC001133844056 787206988 /nfs/dbraw/zinc/20/69/88/787206988.db2.gz MMWDGHYGJTVVEY-QWRGUYRKSA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CS(C)(=O)=O ZINC001133844057 787207257 /nfs/dbraw/zinc/20/72/57/787207257.db2.gz MMWDGHYGJTVVEY-WDEREUQCSA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CS(C)(=O)=O ZINC001133844138 787207676 /nfs/dbraw/zinc/20/76/76/787207676.db2.gz OGCMJVOQWOFDCY-NXEZZACHSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CS(C)(=O)=O ZINC001133844139 787207364 /nfs/dbraw/zinc/20/73/64/787207364.db2.gz OGCMJVOQWOFDCY-UWVGGRQHSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CS(C)(=O)=O ZINC001133844140 787206555 /nfs/dbraw/zinc/20/65/55/787206555.db2.gz OGCMJVOQWOFDCY-VHSXEESVSA-N 1 0 348.425 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/nfs/dbraw/zinc/20/60/98/787206098.db2.gz KNSJVPKMGGSKDO-MNOVXSKESA-N 1 0 338.412 -1.238 20 0 EAADRO CNC(=O)Cc1noc(CNCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133863257 787207685 /nfs/dbraw/zinc/20/76/85/787207685.db2.gz KNSJVPKMGGSKDO-QWRGUYRKSA-N 1 0 338.412 -1.238 20 0 EAADRO CNC(=O)Cc1noc(CNCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133863258 787207007 /nfs/dbraw/zinc/20/70/07/787207007.db2.gz KNSJVPKMGGSKDO-WDEREUQCSA-N 1 0 338.412 -1.238 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001133869867 787206610 /nfs/dbraw/zinc/20/66/10/787206610.db2.gz MWKNOPNKYOONOE-LLVKDONJSA-N 1 0 336.396 -1.085 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001133869868 787206684 /nfs/dbraw/zinc/20/66/84/787206684.db2.gz MWKNOPNKYOONOE-NSHDSACASA-N 1 0 336.396 -1.085 20 0 EAADRO COc1cc(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)ccn1 ZINC001133876838 787206390 /nfs/dbraw/zinc/20/63/90/787206390.db2.gz IVDMNMCTZKFCIR-UHFFFAOYSA-N 1 0 335.364 -1.110 20 0 EAADRO COc1cc(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)ccn1 ZINC001133876870 787207349 /nfs/dbraw/zinc/20/73/49/787207349.db2.gz JPJGGJDQFDMWCM-UHFFFAOYSA-N 1 0 330.410 -1.112 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1Cc2ccncc2C1)N1CCNC(=O)C1 ZINC001133877098 787207819 /nfs/dbraw/zinc/20/78/19/787207819.db2.gz QSRQBZQQLJCHTE-CYBMUJFWSA-N 1 0 345.403 -1.539 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1Cc2ccncc2C1)N1CCNC(=O)C1 ZINC001133877099 787207073 /nfs/dbraw/zinc/20/70/73/787207073.db2.gz QSRQBZQQLJCHTE-ZDUSSCGKSA-N 1 0 345.403 -1.539 20 0 EAADRO Cn1c(=O)n2c(c1C(=O)NCC[NH2+]CCOCCO)CCCC2 ZINC001133882967 787207310 /nfs/dbraw/zinc/20/73/10/787207310.db2.gz BNJVGQXWZBIDDN-UHFFFAOYSA-N 1 0 326.397 -1.149 20 0 EAADRO COc1cc(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)ccn1 ZINC001133883128 787207291 /nfs/dbraw/zinc/20/72/91/787207291.db2.gz KHFVEWLLIWPNHE-UHFFFAOYSA-N 1 0 349.391 -1.703 20 0 EAADRO O=C(CC(F)(F)C(F)F)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133886612 787208458 /nfs/dbraw/zinc/20/84/58/787208458.db2.gz SRWNULXXNRKIED-UHFFFAOYSA-N 1 0 342.293 -1.059 20 0 EAADRO Cn1c(=O)n2c(c1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)CCCC2 ZINC001133889900 787209651 /nfs/dbraw/zinc/20/96/51/787209651.db2.gz AZJVBMCVTNWFMJ-JTQLQIEISA-N 1 0 349.391 -1.352 20 0 EAADRO Cn1c(=O)n2c(c1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)CCCC2 ZINC001133889927 787208989 /nfs/dbraw/zinc/20/89/89/787208989.db2.gz AZJVBMCVTNWFMJ-SNVBAGLBSA-N 1 0 349.391 -1.352 20 0 EAADRO Cn1c(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c2n(c1=O)CCCC2 ZINC001133890138 787209038 /nfs/dbraw/zinc/20/90/38/787209038.db2.gz HOQXZRPKZUIMDA-UHFFFAOYSA-N 1 0 338.368 -1.963 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(CN2CCCC2)on1 ZINC001133890283 787209094 /nfs/dbraw/zinc/20/90/94/787209094.db2.gz NODZTKBRZYTIGO-UHFFFAOYSA-N 1 0 338.368 -1.215 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001133890433 787209661 /nfs/dbraw/zinc/20/96/61/787209661.db2.gz QRJWOBIBAOJSHV-LLVKDONJSA-N 1 0 326.397 -1.150 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001133890434 787209494 /nfs/dbraw/zinc/20/94/94/787209494.db2.gz QRJWOBIBAOJSHV-NSHDSACASA-N 1 0 326.397 -1.150 20 0 EAADRO Cn1c(=O)n2c(c1C(=O)NCC[NH2+]CCS(C)(=O)=O)CCCC2 ZINC001133890823 787209241 /nfs/dbraw/zinc/20/92/41/787209241.db2.gz ZYQIAHNIOOPHRY-UHFFFAOYSA-N 1 0 344.437 -1.113 20 0 EAADRO O=C(CCc1cncs1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133903197 787208697 /nfs/dbraw/zinc/20/86/97/787208697.db2.gz UTTLJSONMZLAHA-UHFFFAOYSA-N 1 0 339.421 -1.260 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133905821 787209480 /nfs/dbraw/zinc/20/94/80/787209480.db2.gz JKIHFSUCNRDISF-GARJFASQSA-N 1 0 341.412 -1.349 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133905822 787208392 /nfs/dbraw/zinc/20/83/92/787208392.db2.gz JKIHFSUCNRDISF-OUAUKWLOSA-N 1 0 341.412 -1.349 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133905981 787208957 /nfs/dbraw/zinc/20/89/57/787208957.db2.gz LQNMVAHYQHUDRL-NWDGAFQWSA-N 1 0 328.413 -1.431 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133906214 787209114 /nfs/dbraw/zinc/20/91/14/787209114.db2.gz QMGLFBUUORNFRT-QWHCGFSZSA-N 1 0 340.424 -1.288 20 0 EAADRO CCNC(=O)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133906593 787208150 /nfs/dbraw/zinc/20/81/50/787208150.db2.gz XFMDHKANMQWPAD-NXEZZACHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCNC(=O)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133906594 787209475 /nfs/dbraw/zinc/20/94/75/787209475.db2.gz XFMDHKANMQWPAD-UWVGGRQHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCNC(=O)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133906595 787208480 /nfs/dbraw/zinc/20/84/80/787208480.db2.gz XFMDHKANMQWPAD-VHSXEESVSA-N 1 0 329.401 -1.030 20 0 EAADRO CCNC(=O)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133906596 787208628 /nfs/dbraw/zinc/20/86/28/787208628.db2.gz XFMDHKANMQWPAD-ZJUUUORDSA-N 1 0 329.401 -1.030 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001133908066 787209686 /nfs/dbraw/zinc/20/96/86/787209686.db2.gz GIFBPGMJPZWLFQ-AXFHLTTASA-N 1 0 332.426 -1.905 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001133908067 787208926 /nfs/dbraw/zinc/20/89/26/787208926.db2.gz GIFBPGMJPZWLFQ-MXWKQRLJSA-N 1 0 332.426 -1.905 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001133908363 787209369 /nfs/dbraw/zinc/20/93/69/787209369.db2.gz OCJPUUBJPFSHKD-HLTSFMKQSA-N 1 0 327.303 -1.247 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001133908364 787209342 /nfs/dbraw/zinc/20/93/42/787209342.db2.gz OCJPUUBJPFSHKD-YIZRAAEISA-N 1 0 327.303 -1.247 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)n(C)n1 ZINC001133911168 787208132 /nfs/dbraw/zinc/20/81/32/787208132.db2.gz BOFJAFXVQBUOOR-GRYCIOLGSA-N 1 0 348.407 -1.339 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)n(C)n1 ZINC001133911169 787208492 /nfs/dbraw/zinc/20/84/92/787208492.db2.gz BOFJAFXVQBUOOR-WOPDTQHZSA-N 1 0 348.407 -1.339 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001133911344 787208860 /nfs/dbraw/zinc/20/88/60/787208860.db2.gz DYQXJQMAALWEKZ-NEPJUHHUSA-N 1 0 339.396 -2.496 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133911345 787209593 /nfs/dbraw/zinc/20/95/93/787209593.db2.gz FBALCMSOTNPDSX-AEJSXWLSSA-N 1 0 326.353 -2.677 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133911346 787209252 /nfs/dbraw/zinc/20/92/52/787209252.db2.gz FBALCMSOTNPDSX-BBBLOLIVSA-N 1 0 326.353 -2.677 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001133911368 787208942 /nfs/dbraw/zinc/20/89/42/787208942.db2.gz GMGXPJHEKPYPOM-HRDYMLBCSA-N 1 0 336.314 -1.023 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001133911369 787209602 /nfs/dbraw/zinc/20/96/02/787209602.db2.gz GMGXPJHEKPYPOM-VGMNWLOBSA-N 1 0 336.314 -1.023 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)cn1 ZINC001133911383 787208775 /nfs/dbraw/zinc/20/87/75/787208775.db2.gz HGNHWNUDZUZREL-GRYCIOLGSA-N 1 0 334.380 -1.647 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)cn1 ZINC001133911384 787209690 /nfs/dbraw/zinc/20/96/90/787209690.db2.gz HGNHWNUDZUZREL-WOPDTQHZSA-N 1 0 334.380 -1.647 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911386 787209486 /nfs/dbraw/zinc/20/94/86/787209486.db2.gz HICBTCGUOSEZBM-BDAKNGLRSA-N 1 0 327.385 -1.562 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)cn1 ZINC001133911683 787208367 /nfs/dbraw/zinc/20/83/67/787208367.db2.gz LBYNJFPRXWMCAW-AGIUHOORSA-N 1 0 348.407 -1.257 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)cn1 ZINC001133911684 787208834 /nfs/dbraw/zinc/20/88/34/787208834.db2.gz LBYNJFPRXWMCAW-FRRDWIJNSA-N 1 0 348.407 -1.257 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nccs1 ZINC001133911685 787209083 /nfs/dbraw/zinc/20/90/83/787209083.db2.gz LDTSBCJPGPEVOG-BDAKNGLRSA-N 1 0 325.394 -1.067 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001133911696 787208347 /nfs/dbraw/zinc/20/83/47/787208347.db2.gz LOIQBPKCXSMKJT-MNOVXSKESA-N 1 0 339.396 -2.463 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911712 787209058 /nfs/dbraw/zinc/20/90/58/787209058.db2.gz LYBXLIKOTUEFOO-MNOVXSKESA-N 1 0 335.426 -1.735 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)n1 ZINC001133911841 787209461 /nfs/dbraw/zinc/20/94/61/787209461.db2.gz MVDZFOCDCSVQQB-OUAUKWLOSA-N 1 0 334.380 -1.647 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)n1 ZINC001133911842 787208539 /nfs/dbraw/zinc/20/85/39/787208539.db2.gz MVDZFOCDCSVQQB-VWYCJHECSA-N 1 0 334.380 -1.647 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)n1 ZINC001133911957 787208554 /nfs/dbraw/zinc/20/85/54/787208554.db2.gz QUTNVIPCQYGOGJ-GRYCIOLGSA-N 1 0 348.407 -1.257 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3C[C@H]3C(N)=O)C2=O)n1 ZINC001133911958 787209403 /nfs/dbraw/zinc/20/94/03/787209403.db2.gz QUTNVIPCQYGOGJ-WOPDTQHZSA-N 1 0 348.407 -1.257 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133912039 787208890 /nfs/dbraw/zinc/20/88/90/787208890.db2.gz RBPRQCLBTNHPBY-RTXFEEFZSA-N 1 0 329.397 -1.630 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133912040 787209472 /nfs/dbraw/zinc/20/94/72/787209472.db2.gz RBPRQCLBTNHPBY-UHTWSYAYSA-N 1 0 329.397 -1.630 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133912162 787208750 /nfs/dbraw/zinc/20/87/50/787208750.db2.gz UPZNHZQAEFMMPF-NEPJUHHUSA-N 1 0 336.396 -1.794 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133912273 787208606 /nfs/dbraw/zinc/20/86/06/787208606.db2.gz YUUKQQQGQGTTKY-ZJUUUORDSA-N 1 0 327.385 -1.705 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)n1 ZINC001133914186 787208413 /nfs/dbraw/zinc/20/84/13/787208413.db2.gz CVNBTCMDVLNADU-UHFFFAOYSA-N 1 0 332.368 -1.118 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914290 787209625 /nfs/dbraw/zinc/20/96/25/787209625.db2.gz FSXGNLFIVJZLIA-NEPJUHHUSA-N 1 0 328.413 -1.255 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914327 787208682 /nfs/dbraw/zinc/20/86/82/787208682.db2.gz HOIWVNIWXUDZHU-ZJUUUORDSA-N 1 0 327.385 -1.561 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)Nc2nncs2)n1 ZINC001133914328 787209358 /nfs/dbraw/zinc/20/93/58/787209358.db2.gz HQFZVOCDFYGUHH-UHFFFAOYSA-N 1 0 338.397 -1.056 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914435 787209068 /nfs/dbraw/zinc/20/90/68/787209068.db2.gz JEWUTBVIOKKFFF-AEJSXWLSSA-N 1 0 327.385 -1.564 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914438 787209445 /nfs/dbraw/zinc/20/94/45/787209445.db2.gz JEWUTBVIOKKFFF-BBBLOLIVSA-N 1 0 327.385 -1.564 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)n1 ZINC001133914476 787208588 /nfs/dbraw/zinc/20/85/88/787208588.db2.gz JTFWZMVOBYPUCP-UHFFFAOYSA-N 1 0 337.384 -1.558 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)n1 ZINC001133914537 787210816 /nfs/dbraw/zinc/21/08/16/787210816.db2.gz LYYGAGBGUSQYIO-UHFFFAOYSA-N 1 0 338.412 -1.251 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCc1cnn(C)n1)S(C)(=O)=O ZINC001133914592 787210497 /nfs/dbraw/zinc/21/04/97/787210497.db2.gz NIQPTIYPUWYESI-UHFFFAOYSA-N 1 0 332.430 -1.655 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914602 787211103 /nfs/dbraw/zinc/21/11/03/787211103.db2.gz NKSKHJPXKCZXSV-MNOVXSKESA-N 1 0 341.412 -2.202 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001133914635 787211115 /nfs/dbraw/zinc/21/11/15/787211115.db2.gz NTRBLGCLKVNLLU-RTXFEEFZSA-N 1 0 325.365 -1.016 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001133914653 787210168 /nfs/dbraw/zinc/21/01/68/787210168.db2.gz NTRBLGCLKVNLLU-UHTWSYAYSA-N 1 0 325.365 -1.016 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914679 787211265 /nfs/dbraw/zinc/21/12/65/787211265.db2.gz OHEUCHMFJVSKCT-UHFFFAOYSA-N 1 0 325.373 -1.701 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914683 787210715 /nfs/dbraw/zinc/21/07/15/787210715.db2.gz OLFPLRLPTLBHIA-UHFFFAOYSA-N 1 0 346.457 -1.217 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914705 787210775 /nfs/dbraw/zinc/21/07/75/787210775.db2.gz PTRXWDHGTDJHLY-MNOVXSKESA-N 1 0 336.396 -1.197 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)n1 ZINC001133914706 787211085 /nfs/dbraw/zinc/21/10/85/787211085.db2.gz PUWWBTVQXKRBAV-CYBMUJFWSA-N 1 0 338.412 -1.251 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)n1 ZINC001133914707 787211318 /nfs/dbraw/zinc/21/13/18/787211318.db2.gz PUWWBTVQXKRBAV-ZDUSSCGKSA-N 1 0 338.412 -1.251 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914708 787211404 /nfs/dbraw/zinc/21/14/04/787211404.db2.gz QAOMBAILBMBKFO-UHFFFAOYSA-N 1 0 326.401 -1.394 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133914752 787210581 /nfs/dbraw/zinc/21/05/81/787210581.db2.gz RQMYGCUDWWOBPD-AXFHLTTASA-N 1 0 339.396 -2.463 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133914753 787210841 /nfs/dbraw/zinc/21/08/41/787210841.db2.gz RQMYGCUDWWOBPD-MXWKQRLJSA-N 1 0 339.396 -2.463 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914768 787210043 /nfs/dbraw/zinc/21/00/43/787210043.db2.gz SHESHBJVTJTSAR-AXFHLTTASA-N 1 0 341.412 -1.316 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914769 787211358 /nfs/dbraw/zinc/21/13/58/787211358.db2.gz SHESHBJVTJTSAR-MXWKQRLJSA-N 1 0 341.412 -1.316 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914798 787211292 /nfs/dbraw/zinc/21/12/92/787211292.db2.gz SNWJQHGOBBLFPU-UHFFFAOYSA-N 1 0 339.400 -1.311 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914889 787211279 /nfs/dbraw/zinc/21/12/79/787211279.db2.gz TVKCEXWYCXPIEI-JTQLQIEISA-N 1 0 339.400 -1.312 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914890 787210288 /nfs/dbraw/zinc/21/02/88/787210288.db2.gz TVKCEXWYCXPIEI-SNVBAGLBSA-N 1 0 339.400 -1.312 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914918 787210918 /nfs/dbraw/zinc/21/09/18/787210918.db2.gz VAUZVFUGDAYHSM-UHFFFAOYSA-N 1 0 326.401 -1.394 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001133914963 787210301 /nfs/dbraw/zinc/21/03/01/787210301.db2.gz VZGQORZDTRWGJC-UHFFFAOYSA-N 1 0 337.384 -2.588 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)n1 ZINC001133915208 787211305 /nfs/dbraw/zinc/21/13/05/787211305.db2.gz YOZMBSAZAJACNA-UHFFFAOYSA-N 1 0 344.441 -1.511 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133917511 787210096 /nfs/dbraw/zinc/21/00/96/787210096.db2.gz BBJUHIQAMYRSOX-GXTWGEPZSA-N 1 0 343.428 -1.134 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133917512 787210112 /nfs/dbraw/zinc/21/01/12/787210112.db2.gz BBJUHIQAMYRSOX-JSGCOSHPSA-N 1 0 343.428 -1.134 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133917513 787210604 /nfs/dbraw/zinc/21/06/04/787210604.db2.gz BBJUHIQAMYRSOX-OCCSQVGLSA-N 1 0 343.428 -1.134 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133917514 787210523 /nfs/dbraw/zinc/21/05/23/787210523.db2.gz BBJUHIQAMYRSOX-TZMCWYRMSA-N 1 0 343.428 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2cnn(C)n2)CCO1 ZINC001133917522 787210203 /nfs/dbraw/zinc/21/02/03/787210203.db2.gz BKWKODFMZHHHBC-GFCCVEGCSA-N 1 0 338.412 -1.299 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2cnn(C)n2)CCO1 ZINC001133917523 787211370 /nfs/dbraw/zinc/21/13/70/787211370.db2.gz BKWKODFMZHHHBC-LBPRGKRZSA-N 1 0 338.412 -1.299 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133917867 787210615 /nfs/dbraw/zinc/21/06/15/787210615.db2.gz JCAHBFZBCXJWBH-CYBMUJFWSA-N 1 0 329.401 -1.523 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133917868 787211160 /nfs/dbraw/zinc/21/11/60/787211160.db2.gz JCAHBFZBCXJWBH-ZDUSSCGKSA-N 1 0 329.401 -1.523 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133918130 787210759 /nfs/dbraw/zinc/21/07/59/787210759.db2.gz QMFLNQYVBXBVML-UHFFFAOYSA-N 1 0 326.401 -1.394 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)n1 ZINC001133918421 787210221 /nfs/dbraw/zinc/21/02/21/787210221.db2.gz UDBRDIULOIBBMB-ZDUSSCGKSA-N 1 0 338.412 -1.563 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)n1 ZINC001133918451 787210530 /nfs/dbraw/zinc/21/05/30/787210530.db2.gz UWSHFYOFZLVEQW-LLVKDONJSA-N 1 0 329.426 -1.112 20 0 EAADRO Cn1ncc(CCC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001133918455 787210258 /nfs/dbraw/zinc/21/02/58/787210258.db2.gz UWSHFYOFZLVEQW-NSHDSACASA-N 1 0 329.426 -1.112 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921151 787210380 /nfs/dbraw/zinc/21/03/80/787210380.db2.gz DUJFFTVHRNHBOE-VHSXEESVSA-N 1 0 327.385 -1.738 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133921160 787210953 /nfs/dbraw/zinc/21/09/53/787210953.db2.gz FDXXYJORMXUTKM-WDEREUQCSA-N 1 0 339.396 -1.595 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001133921180 787210704 /nfs/dbraw/zinc/21/07/04/787210704.db2.gz FYMOXRRNEXPYKJ-GRYCIOLGSA-N 1 0 331.438 -1.149 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001133921181 787210832 /nfs/dbraw/zinc/21/08/32/787210832.db2.gz FYMOXRRNEXPYKJ-SDDRHHMPSA-N 1 0 331.438 -1.149 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133921401 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CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932233 787212047 /nfs/dbraw/zinc/21/20/47/787212047.db2.gz SQYXSZGKUSLIAA-NEPJUHHUSA-N 1 0 328.413 -1.254 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001133932344 787211644 /nfs/dbraw/zinc/21/16/44/787211644.db2.gz SVULESXGRFJYFJ-AGIUHOORSA-N 1 0 340.424 -1.111 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001133932345 787212669 /nfs/dbraw/zinc/21/26/69/787212669.db2.gz SVULESXGRFJYFJ-FRRDWIJNSA-N 1 0 340.424 -1.111 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001133932364 787212800 /nfs/dbraw/zinc/21/28/00/787212800.db2.gz UNFLCKBSRVBGNW-NEPJUHHUSA-N 1 0 326.397 -1.547 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001133932398 787213314 /nfs/dbraw/zinc/21/33/14/787213314.db2.gz VXRIZUYCZUGNSU-NEPJUHHUSA-N 1 0 340.424 -1.111 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133932446 787212695 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-1.138 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133951399 787212910 /nfs/dbraw/zinc/21/29/10/787212910.db2.gz WWGIWVWOLSSNHS-GFCCVEGCSA-N 1 0 340.428 -1.005 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133951401 787213171 /nfs/dbraw/zinc/21/31/71/787213171.db2.gz WWGIWVWOLSSNHS-LBPRGKRZSA-N 1 0 340.428 -1.005 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001133951406 787212485 /nfs/dbraw/zinc/21/24/85/787212485.db2.gz XATHKOSEGSOFTK-UHFFFAOYSA-N 1 0 336.352 -2.609 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133951507 787211843 /nfs/dbraw/zinc/21/18/43/787211843.db2.gz YILZAIRGHAWEIH-SECBINFHSA-N 1 0 325.373 -1.702 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133951508 787212999 /nfs/dbraw/zinc/21/29/99/787212999.db2.gz YILZAIRGHAWEIH-VIFPVBQESA-N 1 0 325.373 -1.702 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)[nH]1 ZINC001133951530 787212941 /nfs/dbraw/zinc/21/29/41/787212941.db2.gz ZOMAEKXFSCZRBU-JTQLQIEISA-N 1 0 337.380 -1.272 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)[nH]1 ZINC001133951531 787212099 /nfs/dbraw/zinc/21/20/99/787212099.db2.gz ZOMAEKXFSCZRBU-SNVBAGLBSA-N 1 0 337.380 -1.272 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133952721 787212250 /nfs/dbraw/zinc/21/22/50/787212250.db2.gz GXIZWBMLJKJNJY-JTQLQIEISA-N 1 0 339.396 -1.026 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133952722 787212851 /nfs/dbraw/zinc/21/28/51/787212851.db2.gz GXIZWBMLJKJNJY-SNVBAGLBSA-N 1 0 339.396 -1.026 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2ccc(C(N)=O)[nH]2)cc(=O)n(C)c1=O ZINC001133953089 787212117 /nfs/dbraw/zinc/21/21/17/787212117.db2.gz OTCQDORJQKAKOB-UHFFFAOYSA-N 1 0 348.363 -1.969 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)[nH]1 ZINC001133955838 787212164 /nfs/dbraw/zinc/21/21/64/787212164.db2.gz BDRBYGOXHXCAFL-UHFFFAOYSA-N 1 0 343.409 -1.532 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133955886 787212572 /nfs/dbraw/zinc/21/25/72/787212572.db2.gz CUVYIQAOMLNZNS-UHFFFAOYSA-N 1 0 331.398 -1.628 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)[nH]2)CCO1 ZINC001133956010 787213158 /nfs/dbraw/zinc/21/31/58/787213158.db2.gz IKOACOMHUIGJGM-JTQLQIEISA-N 1 0 337.380 -1.320 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)[nH]2)CCO1 ZINC001133956011 787212558 /nfs/dbraw/zinc/21/25/58/787212558.db2.gz IKOACOMHUIGJGM-SNVBAGLBSA-N 1 0 337.380 -1.320 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956017 787213024 /nfs/dbraw/zinc/21/30/24/787213024.db2.gz IOLBOXRSDOJIIE-GHMZBOCLSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956018 787213197 /nfs/dbraw/zinc/21/31/97/787213197.db2.gz IOLBOXRSDOJIIE-MNOVXSKESA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956019 787213264 /nfs/dbraw/zinc/21/32/64/787213264.db2.gz IOLBOXRSDOJIIE-QWRGUYRKSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956020 787212786 /nfs/dbraw/zinc/21/27/86/787212786.db2.gz IOLBOXRSDOJIIE-WDEREUQCSA-N 1 0 342.396 -1.155 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956031 787212967 /nfs/dbraw/zinc/21/29/67/787212967.db2.gz JFARWPUKOIGVAK-UHFFFAOYSA-N 1 0 345.425 -1.286 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)[nH]1 ZINC001133956081 787213239 /nfs/dbraw/zinc/21/32/39/787213239.db2.gz LLFYNJIGWSUQLC-UHFFFAOYSA-N 1 0 337.365 -1.077 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)[nH]1 ZINC001133956255 787212192 /nfs/dbraw/zinc/21/21/92/787212192.db2.gz NLIOFOHFILMSSZ-JTQLQIEISA-N 1 0 337.380 -1.414 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)[nH]1 ZINC001133956257 787212342 /nfs/dbraw/zinc/21/23/42/787212342.db2.gz NLIOFOHFILMSSZ-SNVBAGLBSA-N 1 0 337.380 -1.414 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1)S(C)(=O)=O ZINC001133956263 787212380 /nfs/dbraw/zinc/21/23/80/787212380.db2.gz NQMPRFSITRJEHW-UHFFFAOYSA-N 1 0 331.398 -1.676 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)[nH]1 ZINC001133956320 787213151 /nfs/dbraw/zinc/21/31/51/787213151.db2.gz ORILGASHHUYNSR-SECBINFHSA-N 1 0 328.394 -1.132 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC001133956327 787212154 /nfs/dbraw/zinc/21/21/54/787212154.db2.gz ORILGASHHUYNSR-VIFPVBQESA-N 1 0 328.394 -1.132 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)[nH]1 ZINC001133956337 787212523 /nfs/dbraw/zinc/21/25/23/787212523.db2.gz OXJSNJATMYZYID-UHFFFAOYSA-N 1 0 336.352 -1.625 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956363 787212689 /nfs/dbraw/zinc/21/26/89/787212689.db2.gz PPXFZXQEICUYGD-UHFFFAOYSA-N 1 0 345.425 -1.238 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)[nH]1 ZINC001133956368 787212223 /nfs/dbraw/zinc/21/22/23/787212223.db2.gz PSZWEDXVIIHXOH-JTQLQIEISA-N 1 0 337.380 -1.584 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956427 787212039 /nfs/dbraw/zinc/21/20/39/787212039.db2.gz QKSQFHHEIRKKMJ-JTQLQIEISA-N 1 0 328.369 -1.543 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956428 787211662 /nfs/dbraw/zinc/21/16/62/787211662.db2.gz QKSQFHHEIRKKMJ-SNVBAGLBSA-N 1 0 328.369 -1.543 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)[nH]1 ZINC001133956452 787212394 /nfs/dbraw/zinc/21/23/94/787212394.db2.gz RLFKBBVSBUCMKJ-UHFFFAOYSA-N 1 0 343.347 -1.031 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956692 787212711 /nfs/dbraw/zinc/21/27/11/787212711.db2.gz WQRAYCDKKWDBGB-UHFFFAOYSA-N 1 0 325.369 -1.414 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133962092 787214289 /nfs/dbraw/zinc/21/42/89/787214289.db2.gz CKTCIOFQAOKKRQ-UHFFFAOYSA-N 1 0 344.441 -1.588 20 0 EAADRO O=C(Cn1nnc2c1CCCC2)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133962671 787214105 /nfs/dbraw/zinc/21/41/05/787214105.db2.gz KWIXXYWBRQFOGZ-LLVKDONJSA-N 1 0 334.380 -1.332 20 0 EAADRO O=C(Cn1nnc2c1CCCC2)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133962672 787215252 /nfs/dbraw/zinc/21/52/52/787215252.db2.gz KWIXXYWBRQFOGZ-NSHDSACASA-N 1 0 334.380 -1.332 20 0 EAADRO O=C(Cn1nnc2c1CCCC2)NCC[NH2+]CCN1CCNC1=O ZINC001133962711 787214941 /nfs/dbraw/zinc/21/49/41/787214941.db2.gz MQDBUSIXCDJCDS-UHFFFAOYSA-N 1 0 335.412 -1.112 20 0 EAADRO O=C(Cn1nnc2c1CCCC2)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133963192 787214560 /nfs/dbraw/zinc/21/45/60/787214560.db2.gz RJCCWYHJPIJZKS-UHFFFAOYSA-N 1 0 349.395 -1.586 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133963495 787213797 /nfs/dbraw/zinc/21/37/97/787213797.db2.gz WWWZCKUSDSXEDZ-UHFFFAOYSA-N 1 0 337.384 -1.682 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133963502 787214893 /nfs/dbraw/zinc/21/48/93/787214893.db2.gz XAAYMSQLPGATNH-UHFFFAOYSA-N 1 0 329.426 -1.093 20 0 EAADRO CC[C@@H](C(=O)NCCNCc1nc(CC(=O)NC)no1)[NH+](C)C ZINC001133966213 787214385 /nfs/dbraw/zinc/21/43/85/787214385.db2.gz XTTOISUIXCCLOT-JTQLQIEISA-N 1 0 326.401 -1.096 20 0 EAADRO CCC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133970317 787214849 /nfs/dbraw/zinc/21/48/49/787214849.db2.gz UALFASXECRADRJ-NXEZZACHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133970318 787215208 /nfs/dbraw/zinc/21/52/08/787215208.db2.gz UALFASXECRADRJ-UWVGGRQHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133970319 787214696 /nfs/dbraw/zinc/21/46/96/787214696.db2.gz UALFASXECRADRJ-VHSXEESVSA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133970320 787214577 /nfs/dbraw/zinc/21/45/77/787214577.db2.gz UALFASXECRADRJ-ZJUUUORDSA-N 1 0 329.401 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1nnc2c1CCCC2)C(=O)NC(N)=O ZINC001133981588 787215021 /nfs/dbraw/zinc/21/50/21/787215021.db2.gz UPQMIAHRXWIWFT-SECBINFHSA-N 1 0 337.384 -1.554 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1nnc2c1CCCC2)C(=O)NC(N)=O ZINC001133981589 787214616 /nfs/dbraw/zinc/21/46/16/787214616.db2.gz UPQMIAHRXWIWFT-VIFPVBQESA-N 1 0 337.384 -1.554 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)CC(N)=O ZINC001133984981 787214362 /nfs/dbraw/zinc/21/43/62/787214362.db2.gz WEEALGBUUYEDEK-NXEZZACHSA-N 1 0 339.396 -1.668 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)CC(N)=O ZINC001133984982 787215216 /nfs/dbraw/zinc/21/52/16/787215216.db2.gz WEEALGBUUYEDEK-UWVGGRQHSA-N 1 0 339.396 -1.668 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)CC(N)=O ZINC001133984983 787215357 /nfs/dbraw/zinc/21/53/57/787215357.db2.gz WEEALGBUUYEDEK-VHSXEESVSA-N 1 0 339.396 -1.668 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(N)=O)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133984984 787214720 /nfs/dbraw/zinc/21/47/20/787214720.db2.gz WEEALGBUUYEDEK-ZJUUUORDSA-N 1 0 339.396 -1.668 20 0 EAADRO Cc1nc(C)c(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[nH]1 ZINC001133992452 787214253 /nfs/dbraw/zinc/21/42/53/787214253.db2.gz RZRLXMHCXQFFLP-LLVKDONJSA-N 1 0 337.380 -1.144 20 0 EAADRO Cc1nc(C)c(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)[nH]1 ZINC001133992453 787213976 /nfs/dbraw/zinc/21/39/76/787213976.db2.gz RZRLXMHCXQFFLP-NSHDSACASA-N 1 0 337.380 -1.144 20 0 EAADRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)nnn1C ZINC001133993185 787213907 /nfs/dbraw/zinc/21/39/07/787213907.db2.gz FJCLEGABQIHKIX-HTQZYQBOSA-N 1 0 325.373 -1.195 20 0 EAADRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)nnn1C ZINC001133993186 787214024 /nfs/dbraw/zinc/21/40/24/787214024.db2.gz FJCLEGABQIHKIX-JGVFFNPUSA-N 1 0 325.373 -1.195 20 0 EAADRO Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)nnn1C ZINC001133993187 787213947 /nfs/dbraw/zinc/21/39/47/787213947.db2.gz FJCLEGABQIHKIX-SFYZADRCSA-N 1 0 325.373 -1.195 20 0 EAADRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)nnn1C ZINC001133993188 787213970 /nfs/dbraw/zinc/21/39/70/787213970.db2.gz FJCLEGABQIHKIX-YUMQZZPRSA-N 1 0 325.373 -1.195 20 0 EAADRO Cc1ccn(CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001133995854 787214049 /nfs/dbraw/zinc/21/40/49/787214049.db2.gz NULCUDANYOAAHY-GFCCVEGCSA-N 1 0 337.380 -1.593 20 0 EAADRO Cc1ccn(CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001133995858 787215352 /nfs/dbraw/zinc/21/53/52/787215352.db2.gz NULCUDANYOAAHY-LBPRGKRZSA-N 1 0 337.380 -1.593 20 0 EAADRO Cc1nc(C)c(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[nH]1 ZINC001133997984 787215226 /nfs/dbraw/zinc/21/52/26/787215226.db2.gz MKWNXQSLICMSPH-JTQLQIEISA-N 1 0 338.412 -1.061 20 0 EAADRO Cc1nc(C)c(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[nH]1 ZINC001133997985 787214807 /nfs/dbraw/zinc/21/48/07/787214807.db2.gz MKWNXQSLICMSPH-SNVBAGLBSA-N 1 0 338.412 -1.061 20 0 EAADRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)[nH]1 ZINC001133998432 787215140 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O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1nccn2ccnc12 ZINC001134006038 787215475 /nfs/dbraw/zinc/21/54/75/787215475.db2.gz CBKNYOVOPNAUSE-UHFFFAOYSA-N 1 0 331.336 -1.400 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001134006191 787214607 /nfs/dbraw/zinc/21/46/07/787214607.db2.gz JWNMVUGJYKNYQQ-UHFFFAOYSA-N 1 0 340.409 -1.012 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001134006229 787214876 /nfs/dbraw/zinc/21/48/76/787214876.db2.gz LJVSJIVJWPHIHC-UHFFFAOYSA-N 1 0 326.382 -1.402 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1nccn2ccnc12 ZINC001134006283 787214377 /nfs/dbraw/zinc/21/43/77/787214377.db2.gz OHKBLILNUSHGLD-UHFFFAOYSA-N 1 0 345.363 -1.009 20 0 EAADRO Cc1ccn(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)n1 ZINC001134006501 787214231 /nfs/dbraw/zinc/21/42/31/787214231.db2.gz YISUDPBRDOUDCJ-UHFFFAOYSA-N 1 0 329.426 -1.067 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001134007529 787215776 /nfs/dbraw/zinc/21/57/76/787215776.db2.gz FBKOVXCBOPLWER-SECBINFHSA-N 1 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CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134016653 787214443 /nfs/dbraw/zinc/21/44/43/787214443.db2.gz MIOIMRQFDYEBDM-UHFFFAOYSA-N 1 0 332.430 -1.228 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001134016824 787214431 /nfs/dbraw/zinc/21/44/31/787214431.db2.gz TXUCXPMARHZQCS-UHFFFAOYSA-N 1 0 325.325 -1.429 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001134016862 787215433 /nfs/dbraw/zinc/21/54/33/787215433.db2.gz VCLFQLTUAVGEFN-UHFFFAOYSA-N 1 0 339.352 -1.039 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134016921 787215287 /nfs/dbraw/zinc/21/52/87/787215287.db2.gz XSHJTSDYJIAZAZ-AAEUAGOBSA-N 1 0 329.401 -1.145 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134016922 787217202 /nfs/dbraw/zinc/21/72/02/787217202.db2.gz XSHJTSDYJIAZAZ-DGCLKSJQSA-N 1 0 329.401 -1.145 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134016923 787216903 /nfs/dbraw/zinc/21/69/03/787216903.db2.gz 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C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(N)=O ZINC001134021642 787216206 /nfs/dbraw/zinc/21/62/06/787216206.db2.gz DELVXXIBUJOGNZ-NXEZZACHSA-N 1 0 327.385 -2.307 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(N)=O ZINC001134021643 787217068 /nfs/dbraw/zinc/21/70/68/787217068.db2.gz DELVXXIBUJOGNZ-UWVGGRQHSA-N 1 0 327.385 -2.307 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(N)=O ZINC001134021644 787216562 /nfs/dbraw/zinc/21/65/62/787216562.db2.gz DELVXXIBUJOGNZ-VHSXEESVSA-N 1 0 327.385 -2.307 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(N)=O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134021645 787216437 /nfs/dbraw/zinc/21/64/37/787216437.db2.gz DELVXXIBUJOGNZ-ZJUUUORDSA-N 1 0 327.385 -2.307 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(N)=O)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134021910 787217018 /nfs/dbraw/zinc/21/70/18/787217018.db2.gz JNBDDFOLCOAEET-BDAKNGLRSA-N 1 0 327.385 -1.277 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CC(N)=O ZINC001134021911 787215974 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EAADRO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001134028674 787216511 /nfs/dbraw/zinc/21/65/11/787216511.db2.gz FCAMPVHBYJDOTP-RISCZKNCSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001134031562 787217390 /nfs/dbraw/zinc/21/73/90/787217390.db2.gz PKQVAENFUNMVMS-GYSYKLTISA-N 1 0 327.381 -1.373 20 0 EAADRO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001134031568 787216596 /nfs/dbraw/zinc/21/65/96/787216596.db2.gz PKQVAENFUNMVMS-SUNKGSAMSA-N 1 0 327.381 -1.373 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001134031791 787216322 /nfs/dbraw/zinc/21/63/22/787216322.db2.gz RYHPBHIATUYAPO-DOMZBBRYSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001134032159 787217231 /nfs/dbraw/zinc/21/72/31/787217231.db2.gz ZAFIDLSXLUYCLG-BZPMIXESSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 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/nfs/dbraw/zinc/21/66/88/787216688.db2.gz LXCQAJJOUDEANO-KGLIPLIRSA-N 1 0 341.412 -1.000 20 0 EAADRO O=C(CCc1cn[nH]n1)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001134036974 787216344 /nfs/dbraw/zinc/21/63/44/787216344.db2.gz LXCQAJJOUDEANO-UONOGXRCSA-N 1 0 341.412 -1.000 20 0 EAADRO O=C(CCc1cn[nH]n1)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001134036975 787217137 /nfs/dbraw/zinc/21/71/37/787217137.db2.gz LXCQAJJOUDEANO-ZIAGYGMSSA-N 1 0 341.412 -1.000 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)CCc2cn[nH]n2)n(C)c1=O ZINC001134037043 787216415 /nfs/dbraw/zinc/21/64/15/787216415.db2.gz PDZMSRPWJGKJBN-UHFFFAOYSA-N 1 0 335.368 -1.959 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134037057 787216521 /nfs/dbraw/zinc/21/65/21/787216521.db2.gz PUNIIXAIVMEKEA-UHFFFAOYSA-N 1 0 348.411 -1.165 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1)C(=O)N(C)C ZINC001134037094 787215747 /nfs/dbraw/zinc/21/57/47/787215747.db2.gz QXRDBRCURJYSAV-JTQLQIEISA-N 1 0 339.400 -1.964 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1)C(=O)N(C)C ZINC001134037095 787215863 /nfs/dbraw/zinc/21/58/63/787215863.db2.gz QXRDBRCURJYSAV-SNVBAGLBSA-N 1 0 339.400 -1.964 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)CCc2cn[nH]n2)C1=O ZINC001134037113 787216958 /nfs/dbraw/zinc/21/69/58/787216958.db2.gz RHUVJBMRYKRILA-UHFFFAOYSA-N 1 0 337.384 -1.227 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)CCc3cn[nH]n3)C2=O)cn1 ZINC001134037148 787217250 /nfs/dbraw/zinc/21/72/50/787217250.db2.gz TZHIQYJRVCZEPG-CYBMUJFWSA-N 1 0 346.395 -1.018 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)CCc3cn[nH]n3)C2=O)cn1 ZINC001134037149 787216814 /nfs/dbraw/zinc/21/68/14/787216814.db2.gz TZHIQYJRVCZEPG-ZDUSSCGKSA-N 1 0 346.395 -1.018 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134037201 787216494 /nfs/dbraw/zinc/21/64/94/787216494.db2.gz WETGYAXAUFXVCI-LLVKDONJSA-N 1 0 326.401 -1.016 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134037202 787216876 /nfs/dbraw/zinc/21/68/76/787216876.db2.gz WETGYAXAUFXVCI-NSHDSACASA-N 1 0 326.401 -1.016 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134037227 787217027 /nfs/dbraw/zinc/21/70/27/787217027.db2.gz XFCFKSIVXMEGII-UHFFFAOYSA-N 1 0 347.441 -1.106 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134037260 787217441 /nfs/dbraw/zinc/21/74/41/787217441.db2.gz YEUCTJOCOSTKJP-UHFFFAOYSA-N 1 0 332.430 -1.275 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCc1nnc[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001134041105 787215895 /nfs/dbraw/zinc/21/58/95/787215895.db2.gz CNELKNGCYSHRKC-BDAKNGLRSA-N 1 0 325.373 -1.195 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCc1nnc[nH]1 ZINC001134041106 787216791 /nfs/dbraw/zinc/21/67/91/787216791.db2.gz CNELKNGCYSHRKC-DTWKUNHWSA-N 1 0 325.373 -1.195 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCc1nnc[nH]1 ZINC001134041107 787216536 /nfs/dbraw/zinc/21/65/36/787216536.db2.gz CNELKNGCYSHRKC-IUCAKERBSA-N 1 0 325.373 -1.195 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCc1nnc[nH]1 ZINC001134041108 787217048 /nfs/dbraw/zinc/21/70/48/787217048.db2.gz CNELKNGCYSHRKC-RKDXNWHRSA-N 1 0 325.373 -1.195 20 0 EAADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134042283 787218832 /nfs/dbraw/zinc/21/88/32/787218832.db2.gz CISATXCSRJLURJ-GHMZBOCLSA-N 1 0 329.426 -1.221 20 0 EAADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134043063 787218307 /nfs/dbraw/zinc/21/83/07/787218307.db2.gz RJVQHCJFUZTUOA-GHMZBOCLSA-N 1 0 334.380 -1.219 20 0 EAADRO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001134045515 787219052 /nfs/dbraw/zinc/21/90/52/787219052.db2.gz JOKFISPDYKGMTA-DOMZBBRYSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C)C(=O)N(C)C ZINC001134046249 787218956 /nfs/dbraw/zinc/21/89/56/787218956.db2.gz WZIRMDFRMUYNJB-MDZLAQPJSA-N 1 0 328.413 -1.290 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C)C(=O)N(C)C ZINC001134046250 787218493 /nfs/dbraw/zinc/21/84/93/787218493.db2.gz WZIRMDFRMUYNJB-WZRBSPASSA-N 1 0 328.413 -1.290 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134046425 787219090 /nfs/dbraw/zinc/21/90/90/787219090.db2.gz YPFKSIPORWFIGA-MDZLAQPJSA-N 1 0 344.412 -1.022 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134046428 787219644 /nfs/dbraw/zinc/21/96/44/787219644.db2.gz YPFKSIPORWFIGA-WZRBSPASSA-N 1 0 344.412 -1.022 20 0 EAADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134049748 787218214 /nfs/dbraw/zinc/21/82/14/787218214.db2.gz MWPPOJNJGCXKFG-VXGBXAGGSA-N 1 0 348.407 -1.812 20 0 EAADRO C[C@H](COCC(=O)NCCNCc1nnn(C)n1)[NH+]1CCCC1 ZINC001134054295 787216866 /nfs/dbraw/zinc/21/68/66/787216866.db2.gz DTTCMAAXKUBXKQ-GFCCVEGCSA-N 1 0 325.417 -1.083 20 0 EAADRO C[C@@H](COCC(=O)NCCNCc1nnn(C)n1)[NH+]1CCCC1 ZINC001134054296 787216302 /nfs/dbraw/zinc/21/63/02/787216302.db2.gz DTTCMAAXKUBXKQ-LBPRGKRZSA-N 1 0 325.417 -1.083 20 0 EAADRO C[C@H](COCC(=O)NCCNCc1nc(=O)n(C)[nH]1)[NH+]1CCCC1 ZINC001134054961 787219763 /nfs/dbraw/zinc/21/97/63/787219763.db2.gz XGJNJVUTGIEROC-GFCCVEGCSA-N 1 0 340.428 -1.185 20 0 EAADRO C[C@@H](COCC(=O)NCCNCc1nc(=O)n(C)[nH]1)[NH+]1CCCC1 ZINC001134054962 787217980 /nfs/dbraw/zinc/21/79/80/787217980.db2.gz XGJNJVUTGIEROC-LBPRGKRZSA-N 1 0 340.428 -1.185 20 0 EAADRO C[C@H](COCC(=O)NCCNCc1nnnn1C)[NH+]1CCCC1 ZINC001134055101 787219753 /nfs/dbraw/zinc/21/97/53/787219753.db2.gz ZPAYYYCYKSKLGJ-GFCCVEGCSA-N 1 0 325.417 -1.083 20 0 EAADRO C[C@@H](COCC(=O)NCCNCc1nnnn1C)[NH+]1CCCC1 ZINC001134055103 787219705 /nfs/dbraw/zinc/21/97/05/787219705.db2.gz ZPAYYYCYKSKLGJ-LBPRGKRZSA-N 1 0 325.417 -1.083 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)ncc1C(N)=O ZINC001134079576 787218116 /nfs/dbraw/zinc/21/81/16/787218116.db2.gz BCLSTHWPXUPUIS-MRVPVSSYSA-N 1 0 336.352 -1.608 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)ncc1C(N)=O ZINC001134079577 787219315 /nfs/dbraw/zinc/21/93/15/787219315.db2.gz BCLSTHWPXUPUIS-QMMMGPOBSA-N 1 0 336.352 -1.608 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)ncc1C(N)=O ZINC001134079587 787218768 /nfs/dbraw/zinc/21/87/68/787218768.db2.gz BLBZZDGQLWILBW-UHFFFAOYSA-N 1 0 348.363 -1.640 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)ncc1C(N)=O ZINC001134080086 787219150 /nfs/dbraw/zinc/21/91/50/787219150.db2.gz KFNGGFXLASYAEZ-UHFFFAOYSA-N 1 0 343.409 -1.642 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)ncc1C(N)=O ZINC001134080472 787219433 /nfs/dbraw/zinc/21/94/33/787219433.db2.gz TUAHNRHICXDIGP-UHFFFAOYSA-N 1 0 347.375 -1.043 20 0 EAADRO CCc1ccc(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nc1 ZINC001134083619 787218738 /nfs/dbraw/zinc/21/87/38/787218738.db2.gz DKLPJGUDAPYRKI-UHFFFAOYSA-N 1 0 347.419 -1.149 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CCN2CCNC2=O)ncc1C(N)=O ZINC001134089887 787219030 /nfs/dbraw/zinc/21/90/30/787219030.db2.gz BYMAZINSWPZEFE-UHFFFAOYSA-N 1 0 334.380 -1.166 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)ncc1C(N)=O ZINC001134089962 787218466 /nfs/dbraw/zinc/21/84/66/787218466.db2.gz CPZGKUOWEFLEQI-UHFFFAOYSA-N 1 0 349.391 -1.333 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)ncc1C(N)=O ZINC001134089985 787217950 /nfs/dbraw/zinc/21/79/50/787217950.db2.gz DAHJEPRMJYTOPE-JTQLQIEISA-N 1 0 333.348 -1.386 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)ncc1C(N)=O ZINC001134089987 787219000 /nfs/dbraw/zinc/21/90/00/787219000.db2.gz DAHJEPRMJYTOPE-SNVBAGLBSA-N 1 0 333.348 -1.386 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134090303 787219402 /nfs/dbraw/zinc/21/94/02/787219402.db2.gz JKOKAJKOPITVLA-UHFFFAOYSA-N 1 0 336.352 -1.736 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)O1 ZINC001134090362 787219177 /nfs/dbraw/zinc/21/91/77/787219177.db2.gz LEQFMRFSKXDNBA-DGCLKSJQSA-N 1 0 340.424 -1.016 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CCS(C)(=O)=O)ncc1C(N)=O ZINC001134090790 787218560 /nfs/dbraw/zinc/21/85/60/787218560.db2.gz UGNNIZLOALLUPS-UHFFFAOYSA-N 1 0 328.394 -1.147 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001134095934 787219234 /nfs/dbraw/zinc/21/92/34/787219234.db2.gz ALXHYKBCLOUNRJ-TZMCWYRMSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)O1 ZINC001134096159 787218989 /nfs/dbraw/zinc/21/89/89/787218989.db2.gz LGPMVOSZESMUKE-GRYCIOLGSA-N 1 0 327.381 -1.230 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)O1 ZINC001134096160 787219190 /nfs/dbraw/zinc/21/91/90/787219190.db2.gz LGPMVOSZESMUKE-IJLUTSLNSA-N 1 0 327.381 -1.230 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)O1 ZINC001134096381 787218357 /nfs/dbraw/zinc/21/83/57/787218357.db2.gz SGWWLZJCKKOVFD-FRRDWIJNSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)O1 ZINC001134096382 787217890 /nfs/dbraw/zinc/21/78/90/787217890.db2.gz SGWWLZJCKKOVFD-JHJVBQTASA-N 1 0 340.424 -1.016 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 ZINC001134098229 787221011 /nfs/dbraw/zinc/22/10/11/787221011.db2.gz AKTYKZRNWIFOGE-LLVKDONJSA-N 1 0 335.412 -1.048 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 ZINC001134098233 787221033 /nfs/dbraw/zinc/22/10/33/787221033.db2.gz AKTYKZRNWIFOGE-NSHDSACASA-N 1 0 335.412 -1.048 20 0 EAADRO O=C(NCC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 ZINC001134098321 787221087 /nfs/dbraw/zinc/22/10/87/787221087.db2.gz BHPKBMKXYHPYJU-GFCCVEGCSA-N 1 0 335.412 -1.142 20 0 EAADRO O=C(NCC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 ZINC001134098322 787220784 /nfs/dbraw/zinc/22/07/84/787220784.db2.gz BHPKBMKXYHPYJU-LBPRGKRZSA-N 1 0 335.412 -1.142 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)O1 ZINC001134098415 787220685 /nfs/dbraw/zinc/22/06/85/787220685.db2.gz CCDYOHJWIKSDKP-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1)NCC1CC1 ZINC001134098472 787221228 /nfs/dbraw/zinc/22/12/28/787221228.db2.gz CSWPCOAHHGYWLO-GFCCVEGCSA-N 1 0 335.412 -1.142 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)NCC1CC1 ZINC001134098474 787221169 /nfs/dbraw/zinc/22/11/69/787221169.db2.gz CSWPCOAHHGYWLO-LBPRGKRZSA-N 1 0 335.412 -1.142 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCC1=O)[C@@H]1CCc2nnnn2CC1 ZINC001134098514 787220831 /nfs/dbraw/zinc/22/08/31/787220831.db2.gz DCQJQDOIXANHRW-GFCCVEGCSA-N 1 0 335.412 -1.046 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCC1=O)[C@H]1CCc2nnnn2CC1 ZINC001134098515 787221262 /nfs/dbraw/zinc/22/12/62/787221262.db2.gz DCQJQDOIXANHRW-LBPRGKRZSA-N 1 0 335.412 -1.046 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCc3nnnn3CC2)C1=O ZINC001134098753 787220819 /nfs/dbraw/zinc/22/08/19/787220819.db2.gz IJHULEVONCYHSZ-NEPJUHHUSA-N 1 0 335.412 -1.048 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCc3nnnn3CC2)C1=O ZINC001134098754 787218133 /nfs/dbraw/zinc/21/81/33/787218133.db2.gz IJHULEVONCYHSZ-NWDGAFQWSA-N 1 0 335.412 -1.048 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCc3nnnn3CC2)C1=O ZINC001134098755 787217914 /nfs/dbraw/zinc/21/79/14/787217914.db2.gz IJHULEVONCYHSZ-RYUDHWBXSA-N 1 0 335.412 -1.048 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCc3nnnn3CC2)C1=O ZINC001134098756 787219542 /nfs/dbraw/zinc/21/95/42/787219542.db2.gz IJHULEVONCYHSZ-VXGBXAGGSA-N 1 0 335.412 -1.048 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099050 787218580 /nfs/dbraw/zinc/21/85/80/787218580.db2.gz LILJSBQXEFEYEB-JTQLQIEISA-N 1 0 330.414 -1.624 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099054 787218157 /nfs/dbraw/zinc/21/81/57/787218157.db2.gz LILJSBQXEFEYEB-SNVBAGLBSA-N 1 0 330.414 -1.624 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1)N1CCCC1 ZINC001134099144 787219506 /nfs/dbraw/zinc/21/95/06/787219506.db2.gz NIBOQTLNYNJLHL-GFCCVEGCSA-N 1 0 335.412 -1.046 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)N1CCCC1 ZINC001134099145 787218525 /nfs/dbraw/zinc/21/85/25/787218525.db2.gz NIBOQTLNYNJLHL-LBPRGKRZSA-N 1 0 335.412 -1.046 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099146 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EAADRO COCCOCC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099534 787219170 /nfs/dbraw/zinc/21/91/70/787219170.db2.gz TWPJGQJBKGMBKD-GFCCVEGCSA-N 1 0 326.401 -1.006 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099535 787218721 /nfs/dbraw/zinc/21/87/21/787218721.db2.gz TWPJGQJBKGMBKD-LBPRGKRZSA-N 1 0 326.401 -1.006 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099541 787218755 /nfs/dbraw/zinc/21/87/55/787218755.db2.gz UEBQFAVDZYMJKC-JTQLQIEISA-N 1 0 345.429 -2.119 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099542 787218278 /nfs/dbraw/zinc/21/82/78/787218278.db2.gz UEBQFAVDZYMJKC-SNVBAGLBSA-N 1 0 345.429 -2.119 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099730 787219520 /nfs/dbraw/zinc/21/95/20/787219520.db2.gz WCILQYUDBNPCMH-SECBINFHSA-N 1 0 338.372 -2.213 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099731 787218196 /nfs/dbraw/zinc/21/81/96/787218196.db2.gz WCILQYUDBNPCMH-VIFPVBQESA-N 1 0 338.372 -2.213 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099908 787218252 /nfs/dbraw/zinc/21/82/52/787218252.db2.gz WYFUQIGLBUMYHD-NXEZZACHSA-N 1 0 335.368 -1.863 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCc2nnnn2CC1 ZINC001134099911 787218402 /nfs/dbraw/zinc/21/84/02/787218402.db2.gz WYFUQIGLBUMYHD-UWVGGRQHSA-N 1 0 335.368 -1.863 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCc2nnnn2CC1 ZINC001134099912 787219214 /nfs/dbraw/zinc/21/92/14/787219214.db2.gz WYFUQIGLBUMYHD-VHSXEESVSA-N 1 0 335.368 -1.863 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099913 787218710 /nfs/dbraw/zinc/21/87/10/787218710.db2.gz WYFUQIGLBUMYHD-ZJUUUORDSA-N 1 0 335.368 -1.863 20 0 EAADRO CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CCc3nnnn3CC2)C1=O ZINC001134100093 787218027 /nfs/dbraw/zinc/21/80/27/787218027.db2.gz YNCPMEBAEGXPSH-NEPJUHHUSA-N 1 0 335.412 -1.048 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CCc3nnnn3CC2)C1=O ZINC001134100095 787218075 /nfs/dbraw/zinc/21/80/75/787218075.db2.gz YNCPMEBAEGXPSH-NWDGAFQWSA-N 1 0 335.412 -1.048 20 0 EAADRO CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CCc3nnnn3CC2)C1=O ZINC001134100097 787219324 /nfs/dbraw/zinc/21/93/24/787219324.db2.gz YNCPMEBAEGXPSH-RYUDHWBXSA-N 1 0 335.412 -1.048 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCc3nnnn3CC2)C1=O ZINC001134100100 787219612 /nfs/dbraw/zinc/21/96/12/787219612.db2.gz YNCPMEBAEGXPSH-VXGBXAGGSA-N 1 0 335.412 -1.048 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)C(=O)NC(N)=O ZINC001134102343 787220794 /nfs/dbraw/zinc/22/07/94/787220794.db2.gz IGASUQMLTDOLQY-BDAKNGLRSA-N 1 0 338.372 -2.085 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)NC(N)=O ZINC001134102344 787220940 /nfs/dbraw/zinc/22/09/40/787220940.db2.gz IGASUQMLTDOLQY-DTWKUNHWSA-N 1 0 338.372 -2.085 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)C(=O)NC(N)=O ZINC001134102345 787220269 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O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)Nc1ccon1 ZINC001134102420 787221075 /nfs/dbraw/zinc/22/10/75/787221075.db2.gz LDWWXMBLNYMHKJ-JTQLQIEISA-N 1 0 348.367 -1.042 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1)Nc1ccon1 ZINC001134102421 787221281 /nfs/dbraw/zinc/22/12/81/787221281.db2.gz LDWWXMBLNYMHKJ-SNVBAGLBSA-N 1 0 348.367 -1.042 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCc2nnnn2CC1 ZINC001134102482 787221359 /nfs/dbraw/zinc/22/13/59/787221359.db2.gz NJKQLHYQUMIJGI-LLVKDONJSA-N 1 0 349.395 -1.520 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCc2nnnn2CC1 ZINC001134102483 787220519 /nfs/dbraw/zinc/22/05/19/787220519.db2.gz NJKQLHYQUMIJGI-NSHDSACASA-N 1 0 349.395 -1.520 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)NC1CC1 ZINC001134102687 787220856 /nfs/dbraw/zinc/22/08/56/787220856.db2.gz WUYXNYYDHMPOKC-GHMZBOCLSA-N 1 0 335.412 -1.002 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1)C(=O)NC1CC1 ZINC001134102688 787221025 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EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)[C@@H]1CCC(=O)N1 ZINC001134109026 787220993 /nfs/dbraw/zinc/22/09/93/787220993.db2.gz AGHQUQZYQPSOSR-YPMHNXCESA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1CCC(=O)N1 ZINC001134109365 787220546 /nfs/dbraw/zinc/22/05/46/787220546.db2.gz CZQPITWJFHSOBF-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[C@H]1CCC(=O)N1 ZINC001134109366 787220154 /nfs/dbraw/zinc/22/01/54/787220154.db2.gz CZQPITWJFHSOBF-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1CCC(=O)N1 ZINC001134109367 787220903 /nfs/dbraw/zinc/22/09/03/787220903.db2.gz CZQPITWJFHSOBF-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[C@H]1CCC(=O)N1 ZINC001134109368 787220195 /nfs/dbraw/zinc/22/01/95/787220195.db2.gz CZQPITWJFHSOBF-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134109627 787220876 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CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134110025 787221095 /nfs/dbraw/zinc/22/10/95/787221095.db2.gz IAUFJVHFLVLBKZ-VHSXEESVSA-N 1 0 327.385 -1.547 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134110026 787220612 /nfs/dbraw/zinc/22/06/12/787220612.db2.gz IAUFJVHFLVLBKZ-ZJUUUORDSA-N 1 0 327.385 -1.547 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134110039 787221151 /nfs/dbraw/zinc/22/11/51/787221151.db2.gz IEIKQYXLVQXCDK-NEPJUHHUSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134110040 787221208 /nfs/dbraw/zinc/22/12/08/787221208.db2.gz IEIKQYXLVQXCDK-NWDGAFQWSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134110041 787221156 /nfs/dbraw/zinc/22/11/56/787221156.db2.gz IEIKQYXLVQXCDK-RYUDHWBXSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134110042 787220145 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341.412 -1.157 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134110069 787221106 /nfs/dbraw/zinc/22/11/06/787221106.db2.gz IVPXXFGLQNOADS-MNOVXSKESA-N 1 0 341.412 -1.157 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134110070 787221298 /nfs/dbraw/zinc/22/12/98/787221298.db2.gz IVPXXFGLQNOADS-QWRGUYRKSA-N 1 0 341.412 -1.157 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134110071 787220101 /nfs/dbraw/zinc/22/01/01/787220101.db2.gz IVPXXFGLQNOADS-WDEREUQCSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@@H]1CCC(=O)N1 ZINC001134110346 787220754 /nfs/dbraw/zinc/22/07/54/787220754.db2.gz KVXLWZCJRKQZEC-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@H]1CCC(=O)N1 ZINC001134110347 787221315 /nfs/dbraw/zinc/22/13/15/787221315.db2.gz KVXLWZCJRKQZEC-NWDGAFQWSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@@H]1CCC(=O)N1 ZINC001134110348 787220206 /nfs/dbraw/zinc/22/02/06/787220206.db2.gz KVXLWZCJRKQZEC-RYUDHWBXSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[C@H]1CCC(=O)N1 ZINC001134110349 787220031 /nfs/dbraw/zinc/22/00/31/787220031.db2.gz KVXLWZCJRKQZEC-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[C@H]1CCC(=O)N1 ZINC001134111079 787221384 /nfs/dbraw/zinc/22/13/84/787221384.db2.gz QIQCOCXHMMCBCN-GXSJLCMTSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[C@@H]1CCC(=O)N1 ZINC001134111080 787220486 /nfs/dbraw/zinc/22/04/86/787220486.db2.gz QIQCOCXHMMCBCN-KOLCDFICSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[C@H]1CCC(=O)N1 ZINC001134111081 787220355 /nfs/dbraw/zinc/22/03/55/787220355.db2.gz QIQCOCXHMMCBCN-MWLCHTKSSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[C@@H]1CCC(=O)N1 ZINC001134111082 787220313 /nfs/dbraw/zinc/22/03/13/787220313.db2.gz QIQCOCXHMMCBCN-ONGXEEELSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001134111271 787221115 /nfs/dbraw/zinc/22/11/15/787221115.db2.gz SOXBNHLSZCRKBZ-GHMZBOCLSA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001134111272 787221369 /nfs/dbraw/zinc/22/13/69/787221369.db2.gz SOXBNHLSZCRKBZ-MNOVXSKESA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001134111273 787220177 /nfs/dbraw/zinc/22/01/77/787220177.db2.gz SOXBNHLSZCRKBZ-QWRGUYRKSA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001134111274 787220596 /nfs/dbraw/zinc/22/05/96/787220596.db2.gz SOXBNHLSZCRKBZ-WDEREUQCSA-N 1 0 334.442 -1.502 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134111435 787220251 /nfs/dbraw/zinc/22/02/51/787220251.db2.gz VROHBZVIYZBDDK-NEPJUHHUSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134111436 787221242 /nfs/dbraw/zinc/22/12/42/787221242.db2.gz VROHBZVIYZBDDK-NWDGAFQWSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134111437 787220886 /nfs/dbraw/zinc/22/08/86/787220886.db2.gz VROHBZVIYZBDDK-RYUDHWBXSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134111438 787221053 /nfs/dbraw/zinc/22/10/53/787221053.db2.gz VROHBZVIYZBDDK-VXGBXAGGSA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134111611 787220720 /nfs/dbraw/zinc/22/07/20/787220720.db2.gz XDYVFNVBYOHWAD-NEPJUHHUSA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134111612 787221186 /nfs/dbraw/zinc/22/11/86/787221186.db2.gz XDYVFNVBYOHWAD-NWDGAFQWSA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134111613 787220126 /nfs/dbraw/zinc/22/01/26/787220126.db2.gz XDYVFNVBYOHWAD-RYUDHWBXSA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134111614 787221323 /nfs/dbraw/zinc/22/13/23/787221323.db2.gz XDYVFNVBYOHWAD-VXGBXAGGSA-N 1 0 328.413 -1.240 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc(=O)n(C)c1=O ZINC001134117098 787222615 /nfs/dbraw/zinc/22/26/15/787222615.db2.gz DNUDYNRKPDRTMI-UPJWGTAASA-N 1 0 336.392 -1.143 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117265 787222097 /nfs/dbraw/zinc/22/20/97/787222097.db2.gz LBCMMKBVZBJSMT-LOWDOPEQSA-N 1 0 339.392 -1.230 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117266 787222108 /nfs/dbraw/zinc/22/21/08/787222108.db2.gz LBCMMKBVZBJSMT-LPWJVIDDSA-N 1 0 339.392 -1.230 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N(C)C ZINC001134121160 787222104 /nfs/dbraw/zinc/22/21/04/787222104.db2.gz QDPXROMIFMNRPW-LOWDOPEQSA-N 1 0 340.424 -1.147 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N(C)C ZINC001134121161 787221930 /nfs/dbraw/zinc/22/19/30/787221930.db2.gz QDPXROMIFMNRPW-LPWJVIDDSA-N 1 0 340.424 -1.147 20 0 EAADRO Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001134123780 787222403 /nfs/dbraw/zinc/22/24/03/787222403.db2.gz GJBLXVUOKACRCR-NWDGAFQWSA-N 1 0 334.380 -1.219 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001134123926 787221998 /nfs/dbraw/zinc/22/19/98/787221998.db2.gz GPBVFUDNQNXHSN-MRVPVSSYSA-N 1 0 338.368 -1.746 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001134123927 787221845 /nfs/dbraw/zinc/22/18/45/787221845.db2.gz GPBVFUDNQNXHSN-QMMMGPOBSA-N 1 0 338.368 -1.746 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134124036 787222088 /nfs/dbraw/zinc/22/20/88/787222088.db2.gz KWJJQCPAVNLWIM-GFCCVEGCSA-N 1 0 348.407 -1.072 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134124037 787222030 /nfs/dbraw/zinc/22/20/30/787222030.db2.gz KWJJQCPAVNLWIM-LBPRGKRZSA-N 1 0 348.407 -1.072 20 0 EAADRO Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001134124095 787222014 /nfs/dbraw/zinc/22/20/14/787222014.db2.gz ODKZFTIFNVDZPR-NWDGAFQWSA-N 1 0 329.426 -1.221 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134124122 787221895 /nfs/dbraw/zinc/22/18/95/787221895.db2.gz PBFUPDSYWIYOJW-UHFFFAOYSA-N 1 0 349.391 -1.181 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134124477 787222595 /nfs/dbraw/zinc/22/25/95/787222595.db2.gz ZUNDUIUGIXDMTQ-UHFFFAOYSA-N 1 0 345.425 -1.780 20 0 EAADRO Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001134126154 787222043 /nfs/dbraw/zinc/22/20/43/787222043.db2.gz BGZYRYLPDIUUPJ-QWHCGFSZSA-N 1 0 348.407 -1.812 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134126910 787222573 /nfs/dbraw/zinc/22/25/73/787222573.db2.gz FZEQCDPNAREILO-NEPJUHHUSA-N 1 0 340.428 -1.187 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CCOCC1 ZINC001134126911 787222494 /nfs/dbraw/zinc/22/24/94/787222494.db2.gz FZEQCDPNAREILO-NWDGAFQWSA-N 1 0 340.428 -1.187 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CCOCC1 ZINC001134126912 787222130 /nfs/dbraw/zinc/22/21/30/787222130.db2.gz FZEQCDPNAREILO-RYUDHWBXSA-N 1 0 340.428 -1.187 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CCOCC1 ZINC001134126913 787221908 /nfs/dbraw/zinc/22/19/08/787221908.db2.gz FZEQCDPNAREILO-VXGBXAGGSA-N 1 0 340.428 -1.187 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001134127198 787222094 /nfs/dbraw/zinc/22/20/94/787222094.db2.gz KNOFJOWAOVUHIK-NEPJUHHUSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001134127199 787222225 /nfs/dbraw/zinc/22/22/25/787222225.db2.gz KNOFJOWAOVUHIK-NWDGAFQWSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001134127200 787222485 /nfs/dbraw/zinc/22/24/85/787222485.db2.gz KNOFJOWAOVUHIK-RYUDHWBXSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001134127201 787222054 /nfs/dbraw/zinc/22/20/54/787222054.db2.gz KNOFJOWAOVUHIK-VXGBXAGGSA-N 1 0 343.428 -1.353 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCOCC1 ZINC001134127710 787220624 /nfs/dbraw/zinc/22/06/24/787220624.db2.gz SEMWNFWBRMXBPC-GHMZBOCLSA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]CC(=O)NC(N)=O ZINC001134127711 787220668 /nfs/dbraw/zinc/22/06/68/787220668.db2.gz SEMWNFWBRMXBPC-MNOVXSKESA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCOCC1 ZINC001134127712 787221350 /nfs/dbraw/zinc/22/13/50/787221350.db2.gz SEMWNFWBRMXBPC-QWRGUYRKSA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCOCC1 ZINC001134127713 787221255 /nfs/dbraw/zinc/22/12/55/787221255.db2.gz SEMWNFWBRMXBPC-WDEREUQCSA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]Cc1nnnn1C ZINC001134128042 787222266 /nfs/dbraw/zinc/22/22/66/787222266.db2.gz UNULUYWUURJFIW-NEPJUHHUSA-N 1 0 325.417 -1.085 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1CCOCC1 ZINC001134128043 787222202 /nfs/dbraw/zinc/22/22/02/787222202.db2.gz UNULUYWUURJFIW-NWDGAFQWSA-N 1 0 325.417 -1.085 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1CCOCC1 ZINC001134128044 787222395 /nfs/dbraw/zinc/22/23/95/787222395.db2.gz UNULUYWUURJFIW-RYUDHWBXSA-N 1 0 325.417 -1.085 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1CCOCC1 ZINC001134128045 787222444 /nfs/dbraw/zinc/22/24/44/787222444.db2.gz UNULUYWUURJFIW-VXGBXAGGSA-N 1 0 325.417 -1.085 20 0 EAADRO CNC(=O)CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134130450 787222134 /nfs/dbraw/zinc/22/21/34/787222134.db2.gz HYDRHIFCHBCLQT-NXEZZACHSA-N 1 0 329.401 -1.030 20 0 EAADRO CNC(=O)CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134130451 787221778 /nfs/dbraw/zinc/22/17/78/787221778.db2.gz HYDRHIFCHBCLQT-UWVGGRQHSA-N 1 0 329.401 -1.030 20 0 EAADRO CNC(=O)CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134130452 787222290 /nfs/dbraw/zinc/22/22/90/787222290.db2.gz HYDRHIFCHBCLQT-VHSXEESVSA-N 1 0 329.401 -1.030 20 0 EAADRO CNC(=O)CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134130453 787222199 /nfs/dbraw/zinc/22/21/99/787222199.db2.gz HYDRHIFCHBCLQT-ZJUUUORDSA-N 1 0 329.401 -1.030 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CN1CN=NC1=O ZINC001134134942 787222090 /nfs/dbraw/zinc/22/20/90/787222090.db2.gz PRSRUKJDSZANNW-NXEZZACHSA-N 1 0 348.429 -1.594 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CN1CN=NC1=O ZINC001134134943 787222378 /nfs/dbraw/zinc/22/23/78/787222378.db2.gz PRSRUKJDSZANNW-UWVGGRQHSA-N 1 0 348.429 -1.594 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CN1CN=NC1=O ZINC001134134944 787222374 /nfs/dbraw/zinc/22/23/74/787222374.db2.gz PRSRUKJDSZANNW-VHSXEESVSA-N 1 0 348.429 -1.594 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CN=NC1=O)[NH2+]CCNS(C)(=O)=O ZINC001134134945 787222609 /nfs/dbraw/zinc/22/26/09/787222609.db2.gz PRSRUKJDSZANNW-ZJUUUORDSA-N 1 0 348.429 -1.594 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134135202 787222168 /nfs/dbraw/zinc/22/21/68/787222168.db2.gz RXSFTZWSVKYULP-BDAKNGLRSA-N 1 0 341.372 -1.688 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134135203 787222316 /nfs/dbraw/zinc/22/23/16/787222316.db2.gz RXSFTZWSVKYULP-DTWKUNHWSA-N 1 0 341.372 -1.688 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134135204 787222156 /nfs/dbraw/zinc/22/21/56/787222156.db2.gz RXSFTZWSVKYULP-IUCAKERBSA-N 1 0 341.372 -1.688 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134135205 787221878 /nfs/dbraw/zinc/22/18/78/787221878.db2.gz RXSFTZWSVKYULP-RKDXNWHRSA-N 1 0 341.372 -1.688 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CN1CN=NC1=O ZINC001134135382 787222219 /nfs/dbraw/zinc/22/22/19/787222219.db2.gz SWIVCDZFJWEJQI-GHMZBOCLSA-N 1 0 339.400 -1.118 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CN=NC1=O)[NH2+]CCN1CCNC1=O ZINC001134135383 787222241 /nfs/dbraw/zinc/22/22/41/787222241.db2.gz SWIVCDZFJWEJQI-MNOVXSKESA-N 1 0 339.400 -1.118 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CN1CN=NC1=O ZINC001134135384 787222189 /nfs/dbraw/zinc/22/21/89/787222189.db2.gz SWIVCDZFJWEJQI-QWRGUYRKSA-N 1 0 339.400 -1.118 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CN1CN=NC1=O ZINC001134135385 787222361 /nfs/dbraw/zinc/22/23/61/787222361.db2.gz SWIVCDZFJWEJQI-WDEREUQCSA-N 1 0 339.400 -1.118 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1CN=NC1=O ZINC001134135418 787222159 /nfs/dbraw/zinc/22/21/59/787222159.db2.gz UEPWEVCCRQSFHI-NXEZZACHSA-N 1 0 333.414 -1.099 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1CN=NC1=O ZINC001134135419 787222035 /nfs/dbraw/zinc/22/20/35/787222035.db2.gz UEPWEVCCRQSFHI-UWVGGRQHSA-N 1 0 333.414 -1.099 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1CN=NC1=O ZINC001134135420 787221966 /nfs/dbraw/zinc/22/19/66/787221966.db2.gz UEPWEVCCRQSFHI-VHSXEESVSA-N 1 0 333.414 -1.099 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CN=NC1=O)[NH2+]CCS(C)(=O)=O ZINC001134135421 787222366 /nfs/dbraw/zinc/22/23/66/787222366.db2.gz UEPWEVCCRQSFHI-ZJUUUORDSA-N 1 0 333.414 -1.099 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CN=NC1=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134135466 787222139 /nfs/dbraw/zinc/22/21/39/787222139.db2.gz UUTOSBKUMGCPJS-BDAKNGLRSA-N 1 0 338.372 -1.521 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CN=NC1=O ZINC001134135467 787222170 /nfs/dbraw/zinc/22/21/70/787222170.db2.gz UUTOSBKUMGCPJS-DTWKUNHWSA-N 1 0 338.372 -1.521 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CN=NC1=O ZINC001134135468 787222669 /nfs/dbraw/zinc/22/26/69/787222669.db2.gz UUTOSBKUMGCPJS-IUCAKERBSA-N 1 0 338.372 -1.521 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CN=NC1=O ZINC001134135469 787221954 /nfs/dbraw/zinc/22/19/54/787221954.db2.gz UUTOSBKUMGCPJS-RKDXNWHRSA-N 1 0 338.372 -1.521 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CN=NC1=O ZINC001134135678 787224171 /nfs/dbraw/zinc/22/41/71/787224171.db2.gz WPJLOUGWYORAAA-HTQZYQBOSA-N 1 0 327.345 -1.949 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CN=NC1=O ZINC001134135679 787223667 /nfs/dbraw/zinc/22/36/67/787223667.db2.gz WPJLOUGWYORAAA-JGVFFNPUSA-N 1 0 327.345 -1.949 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CN=NC1=O)[NH2+]CC(=O)NC(N)=O ZINC001134135680 787223692 /nfs/dbraw/zinc/22/36/92/787223692.db2.gz WPJLOUGWYORAAA-SFYZADRCSA-N 1 0 327.345 -1.949 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CN=NC1=O ZINC001134135681 787223444 /nfs/dbraw/zinc/22/34/44/787223444.db2.gz WPJLOUGWYORAAA-YUMQZZPRSA-N 1 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ZINC001134135904 787224157 /nfs/dbraw/zinc/22/41/57/787224157.db2.gz NOHKRRHLAIQRKQ-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1CCC(=O)N1 ZINC001134135905 787223904 /nfs/dbraw/zinc/22/39/04/787223904.db2.gz NOHKRRHLAIQRKQ-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCC(=O)N1 ZINC001134135906 787224096 /nfs/dbraw/zinc/22/40/96/787224096.db2.gz NOHKRRHLAIQRKQ-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001134136438 787223389 /nfs/dbraw/zinc/22/33/89/787223389.db2.gz YDQYCAGEVGTSMT-NXEZZACHSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001134136439 787223620 /nfs/dbraw/zinc/22/36/20/787223620.db2.gz YDQYCAGEVGTSMT-UWVGGRQHSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001134136440 787223332 /nfs/dbraw/zinc/22/33/32/787223332.db2.gz YDQYCAGEVGTSMT-VHSXEESVSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001134136441 787224063 /nfs/dbraw/zinc/22/40/63/787224063.db2.gz YDQYCAGEVGTSMT-ZJUUUORDSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001134136498 787223682 /nfs/dbraw/zinc/22/36/82/787223682.db2.gz ZEIASTFEOMCVPD-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001134136499 787223240 /nfs/dbraw/zinc/22/32/40/787223240.db2.gz ZEIASTFEOMCVPD-MNOVXSKESA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001134136500 787223174 /nfs/dbraw/zinc/22/31/74/787223174.db2.gz ZEIASTFEOMCVPD-QWRGUYRKSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001134136501 787223345 /nfs/dbraw/zinc/22/33/45/787223345.db2.gz ZEIASTFEOMCVPD-WDEREUQCSA-N 1 0 339.396 -1.451 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001134138356 787224149 /nfs/dbraw/zinc/22/41/49/787224149.db2.gz AKIDJHHWTIQGRE-UHFFFAOYSA-N 1 0 336.396 -1.304 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001134138761 787223822 /nfs/dbraw/zinc/22/38/22/787223822.db2.gz ISZCFMZXBGGWRA-SECBINFHSA-N 1 0 335.364 -1.524 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001134138763 787223465 /nfs/dbraw/zinc/22/34/65/787223465.db2.gz ISZCFMZXBGGWRA-VIFPVBQESA-N 1 0 335.364 -1.524 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134138797 787223513 /nfs/dbraw/zinc/22/35/13/787223513.db2.gz JOVLIKMQUKJDQF-UHFFFAOYSA-N 1 0 338.368 -1.874 20 0 EAADRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001134138999 787223160 /nfs/dbraw/zinc/22/31/60/787223160.db2.gz MNWXLYQATLYELZ-UHFFFAOYSA-N 1 0 330.410 -1.285 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)N1CCNC(=O)C1 ZINC001134142348 787223595 /nfs/dbraw/zinc/22/35/95/787223595.db2.gz YTSQWUSTIZRSLO-UONOGXRCSA-N 1 0 345.403 -1.151 20 0 EAADRO CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134144454 787224161 /nfs/dbraw/zinc/22/41/61/787224161.db2.gz ZSRKJHPVXUPQFQ-NXEZZACHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134144455 787224071 /nfs/dbraw/zinc/22/40/71/787224071.db2.gz ZSRKJHPVXUPQFQ-UWVGGRQHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134144456 787224003 /nfs/dbraw/zinc/22/40/03/787224003.db2.gz ZSRKJHPVXUPQFQ-VHSXEESVSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134144457 787223496 /nfs/dbraw/zinc/22/34/96/787223496.db2.gz ZSRKJHPVXUPQFQ-ZJUUUORDSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134146182 787222690 /nfs/dbraw/zinc/22/26/90/787222690.db2.gz BTJUHFLBMVCBLS-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134146183 787222237 /nfs/dbraw/zinc/22/22/37/787222237.db2.gz BTJUHFLBMVCBLS-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134146184 787222143 /nfs/dbraw/zinc/22/21/43/787222143.db2.gz BTJUHFLBMVCBLS-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134146185 787222355 /nfs/dbraw/zinc/22/23/55/787222355.db2.gz BTJUHFLBMVCBLS-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134147022 787221812 /nfs/dbraw/zinc/22/18/12/787221812.db2.gz LTRCIIRWTOLRQG-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134147023 787222474 /nfs/dbraw/zinc/22/24/74/787222474.db2.gz LTRCIIRWTOLRQG-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134147024 787222080 /nfs/dbraw/zinc/22/20/80/787222080.db2.gz LTRCIIRWTOLRQG-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134147025 787222261 /nfs/dbraw/zinc/22/22/61/787222261.db2.gz LTRCIIRWTOLRQG-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134150560 787222385 /nfs/dbraw/zinc/22/23/85/787222385.db2.gz JNLUCYWNJQUHNY-UHFFFAOYSA-N 1 0 328.394 -1.438 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134150585 787222058 /nfs/dbraw/zinc/22/20/58/787222058.db2.gz LCGISQDUCLMIAV-UHFFFAOYSA-N 1 0 348.363 -1.931 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)c1cccnc1)C(=O)NC(N)=O ZINC001134150594 787222282 /nfs/dbraw/zinc/22/22/82/787222282.db2.gz LGQHQQYTLZDDMG-SECBINFHSA-N 1 0 336.352 -1.899 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)c1cccnc1)C(=O)NC(N)=O ZINC001134150595 787222084 /nfs/dbraw/zinc/22/20/84/787222084.db2.gz LGQHQQYTLZDDMG-VIFPVBQESA-N 1 0 336.352 -1.899 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+]CCN1CCNC1=O ZINC001134150600 787222253 /nfs/dbraw/zinc/22/22/53/787222253.db2.gz LOFHDCUXZNWWCF-UHFFFAOYSA-N 1 0 334.380 -1.458 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001134150938 787222126 /nfs/dbraw/zinc/22/21/26/787222126.db2.gz QMCJNLRRIDMJPL-LLVKDONJSA-N 1 0 333.348 -1.678 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001134150940 787222191 /nfs/dbraw/zinc/22/21/91/787222191.db2.gz QMCJNLRRIDMJPL-NSHDSACASA-N 1 0 333.348 -1.678 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134150961 787222118 /nfs/dbraw/zinc/22/21/18/787222118.db2.gz QNXYVHSWFGQFNH-UHFFFAOYSA-N 1 0 336.352 -2.027 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134151036 787222516 /nfs/dbraw/zinc/22/25/16/787222516.db2.gz RRMOKYICWCZUIO-UHFFFAOYSA-N 1 0 349.391 -1.624 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134151215 787222122 /nfs/dbraw/zinc/22/21/22/787222122.db2.gz VVRBMTNCGQWZJS-UHFFFAOYSA-N 1 0 343.409 -1.934 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134151281 787222153 /nfs/dbraw/zinc/22/21/53/787222153.db2.gz YAGVJEAEOFBQMB-UHFFFAOYSA-N 1 0 342.421 -1.048 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cncnc1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134151371 787222069 /nfs/dbraw/zinc/22/20/69/787222069.db2.gz FNNGDNNUVIMHOW-NEPJUHHUSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cncnc1 ZINC001134151373 787222248 /nfs/dbraw/zinc/22/22/48/787222248.db2.gz FNNGDNNUVIMHOW-NWDGAFQWSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cncnc1 ZINC001134151376 787224201 /nfs/dbraw/zinc/22/42/01/787224201.db2.gz FNNGDNNUVIMHOW-RYUDHWBXSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cncnc1 ZINC001134151377 787223864 /nfs/dbraw/zinc/22/38/64/787223864.db2.gz FNNGDNNUVIMHOW-VXGBXAGGSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cnn(C)c1N ZINC001134152882 787223962 /nfs/dbraw/zinc/22/39/62/787223962.db2.gz RWBZSXUFUSEROQ-HTQZYQBOSA-N 1 0 325.373 -1.316 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cnn(C)c1N ZINC001134152883 787223325 /nfs/dbraw/zinc/22/33/25/787223325.db2.gz RWBZSXUFUSEROQ-JGVFFNPUSA-N 1 0 325.373 -1.316 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]CC(=O)NC(N)=O ZINC001134152884 787223180 /nfs/dbraw/zinc/22/31/80/787223180.db2.gz RWBZSXUFUSEROQ-SFYZADRCSA-N 1 0 325.373 -1.316 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cnn(C)c1N ZINC001134152885 787223940 /nfs/dbraw/zinc/22/39/40/787223940.db2.gz RWBZSXUFUSEROQ-YUMQZZPRSA-N 1 0 325.373 -1.316 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134153583 787223142 /nfs/dbraw/zinc/22/31/42/787223142.db2.gz GBOHSMATXBTMDU-AWEZNQCLSA-N 1 0 346.391 -1.225 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134153584 787224043 /nfs/dbraw/zinc/22/40/43/787224043.db2.gz GBOHSMATXBTMDU-CQSZACIVSA-N 1 0 346.391 -1.225 20 0 EAADRO O=C(CNC(=O)c1cccnc1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134153794 787224176 /nfs/dbraw/zinc/22/41/76/787224176.db2.gz OAYFULWATIHPAH-UHFFFAOYSA-N 1 0 347.375 -1.334 20 0 EAADRO CC(C)c1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]n1 ZINC001134157766 787225412 /nfs/dbraw/zinc/22/54/12/787225412.db2.gz ONZBQAMRLBERFL-UHFFFAOYSA-N 1 0 336.396 -1.189 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001134167477 787223305 /nfs/dbraw/zinc/22/33/05/787223305.db2.gz BYOQYMFRXWVVFC-GFCCVEGCSA-N 1 0 334.442 -1.358 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001134167478 787223921 /nfs/dbraw/zinc/22/39/21/787223921.db2.gz BYOQYMFRXWVVFC-LBPRGKRZSA-N 1 0 334.442 -1.358 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134167584 787223701 /nfs/dbraw/zinc/22/37/01/787223701.db2.gz CYIFAMAFXKZVNL-LLVKDONJSA-N 1 0 327.385 -1.405 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134167586 787223727 /nfs/dbraw/zinc/22/37/27/787223727.db2.gz CYIFAMAFXKZVNL-NSHDSACASA-N 1 0 327.385 -1.405 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001134167680 787223949 /nfs/dbraw/zinc/22/39/49/787223949.db2.gz FCVWDZWSXCWSSZ-CYBMUJFWSA-N 1 0 328.413 -1.098 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001134167681 787223529 /nfs/dbraw/zinc/22/35/29/787223529.db2.gz FCVWDZWSXCWSSZ-ZDUSSCGKSA-N 1 0 328.413 -1.098 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001134167703 787223747 /nfs/dbraw/zinc/22/37/47/787223747.db2.gz JHGWSQOBIPKHJH-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001134167704 787223988 /nfs/dbraw/zinc/22/39/88/787223988.db2.gz JHGWSQOBIPKHJH-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001134167705 787224165 /nfs/dbraw/zinc/22/41/65/787224165.db2.gz JHGWSQOBIPKHJH-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001134167706 787224067 /nfs/dbraw/zinc/22/40/67/787224067.db2.gz JHGWSQOBIPKHJH-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134167900 787223132 /nfs/dbraw/zinc/22/31/32/787223132.db2.gz IFVZZPLIGRTINS-GXSJLCMTSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134167901 787224187 /nfs/dbraw/zinc/22/41/87/787224187.db2.gz IFVZZPLIGRTINS-KOLCDFICSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134167902 787224196 /nfs/dbraw/zinc/22/41/96/787224196.db2.gz IFVZZPLIGRTINS-MWLCHTKSSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134167923 787223800 /nfs/dbraw/zinc/22/38/00/787223800.db2.gz IFVZZPLIGRTINS-ONGXEEELSA-N 1 0 329.401 -1.159 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001134168270 787223676 /nfs/dbraw/zinc/22/36/76/787223676.db2.gz MXLHXTVIIMWKGG-GFCCVEGCSA-N 1 0 336.458 -1.064 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001134168271 787223212 /nfs/dbraw/zinc/22/32/12/787223212.db2.gz MXLHXTVIIMWKGG-LBPRGKRZSA-N 1 0 336.458 -1.064 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134168543 787224204 /nfs/dbraw/zinc/22/42/04/787224204.db2.gz OVETZEDNZQGYFC-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)NC ZINC001134168544 787224021 /nfs/dbraw/zinc/22/40/21/787224021.db2.gz OVETZEDNZQGYFC-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(=O)NC ZINC001134168545 787223171 /nfs/dbraw/zinc/22/31/71/787223171.db2.gz OVETZEDNZQGYFC-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134168546 787223126 /nfs/dbraw/zinc/22/31/26/787223126.db2.gz OVETZEDNZQGYFC-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134168614 787224055 /nfs/dbraw/zinc/22/40/55/787224055.db2.gz SJHDTYKUQUPVTG-LLVKDONJSA-N 1 0 327.385 -2.435 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134168615 787223268 /nfs/dbraw/zinc/22/32/68/787223268.db2.gz SJHDTYKUQUPVTG-NSHDSACASA-N 1 0 327.385 -2.435 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001134168660 787223223 /nfs/dbraw/zinc/22/32/23/787223223.db2.gz UDCQHUUGXAWBQU-CHWSQXEVSA-N 1 0 328.413 -1.098 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001134168661 787223628 /nfs/dbraw/zinc/22/36/28/787223628.db2.gz UDCQHUUGXAWBQU-OLZOCXBDSA-N 1 0 328.413 -1.098 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001134168662 787223408 /nfs/dbraw/zinc/22/34/08/787223408.db2.gz UDCQHUUGXAWBQU-QWHCGFSZSA-N 1 0 328.413 -1.098 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001134168663 787223993 /nfs/dbraw/zinc/22/39/93/787223993.db2.gz UDCQHUUGXAWBQU-STQMWFEESA-N 1 0 328.413 -1.098 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134168949 787223186 /nfs/dbraw/zinc/22/31/86/787223186.db2.gz XQSCAKTYELLBNW-LLVKDONJSA-N 1 0 329.401 -1.157 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134168950 787223977 /nfs/dbraw/zinc/22/39/77/787223977.db2.gz XQSCAKTYELLBNW-NSHDSACASA-N 1 0 329.401 -1.157 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001134169307 787224167 /nfs/dbraw/zinc/22/41/67/787224167.db2.gz WODDHIUUISSPCV-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001134169308 787224030 /nfs/dbraw/zinc/22/40/30/787224030.db2.gz WODDHIUUISSPCV-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001134169309 787224207 /nfs/dbraw/zinc/22/42/07/787224207.db2.gz WODDHIUUISSPCV-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001134169310 787223870 /nfs/dbraw/zinc/22/38/70/787223870.db2.gz WODDHIUUISSPCV-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134169427 787224184 /nfs/dbraw/zinc/22/41/84/787224184.db2.gz YZSORINLZCZGSR-NXEZZACHSA-N 1 0 327.385 -1.453 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134169428 787224154 /nfs/dbraw/zinc/22/41/54/787224154.db2.gz YZSORINLZCZGSR-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134169429 787224211 /nfs/dbraw/zinc/22/42/11/787224211.db2.gz YZSORINLZCZGSR-VHSXEESVSA-N 1 0 327.385 -1.453 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001134169430 787224076 /nfs/dbraw/zinc/22/40/76/787224076.db2.gz YZSORINLZCZGSR-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001134174443 787223641 /nfs/dbraw/zinc/22/36/41/787223641.db2.gz AOFJBTHXVQGDIU-CHWSQXEVSA-N 1 0 328.413 -1.240 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001134174444 787224127 /nfs/dbraw/zinc/22/41/27/787224127.db2.gz AOFJBTHXVQGDIU-OLZOCXBDSA-N 1 0 328.413 -1.240 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001134174445 787223251 /nfs/dbraw/zinc/22/32/51/787223251.db2.gz AOFJBTHXVQGDIU-QWHCGFSZSA-N 1 0 328.413 -1.240 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001134174446 787224120 /nfs/dbraw/zinc/22/41/20/787224120.db2.gz AOFJBTHXVQGDIU-STQMWFEESA-N 1 0 328.413 -1.240 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001134174515 787223400 /nfs/dbraw/zinc/22/34/00/787223400.db2.gz CESLTILRCOPVRU-GFCCVEGCSA-N 1 0 336.458 -1.112 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001134174516 787223721 /nfs/dbraw/zinc/22/37/21/787223721.db2.gz CESLTILRCOPVRU-LBPRGKRZSA-N 1 0 336.458 -1.112 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134174794 787224100 /nfs/dbraw/zinc/22/41/00/787224100.db2.gz GBURXVZKKOXHDR-LLVKDONJSA-N 1 0 327.385 -1.451 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134174795 787224035 /nfs/dbraw/zinc/22/40/35/787224035.db2.gz GBURXVZKKOXHDR-NSHDSACASA-N 1 0 327.385 -1.451 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001134175083 787223147 /nfs/dbraw/zinc/22/31/47/787223147.db2.gz KMVHYRMGJGLSMB-CHWSQXEVSA-N 1 0 348.469 -1.112 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001134175084 787224026 /nfs/dbraw/zinc/22/40/26/787224026.db2.gz KMVHYRMGJGLSMB-OLZOCXBDSA-N 1 0 348.469 -1.112 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001134175085 787223968 /nfs/dbraw/zinc/22/39/68/787223968.db2.gz KMVHYRMGJGLSMB-QWHCGFSZSA-N 1 0 348.469 -1.112 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001134175086 787223910 /nfs/dbraw/zinc/22/39/10/787223910.db2.gz KMVHYRMGJGLSMB-STQMWFEESA-N 1 0 348.469 -1.112 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001134175110 787224141 /nfs/dbraw/zinc/22/41/41/787224141.db2.gz LAKUGOCBGKYMRX-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001134175111 787224111 /nfs/dbraw/zinc/22/41/11/787224111.db2.gz LAKUGOCBGKYMRX-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001134175112 787223198 /nfs/dbraw/zinc/22/31/98/787223198.db2.gz LAKUGOCBGKYMRX-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001134175113 787223371 /nfs/dbraw/zinc/22/33/71/787223371.db2.gz LAKUGOCBGKYMRX-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134175247 787225403 /nfs/dbraw/zinc/22/54/03/787225403.db2.gz OCAJOYXJYFOKDF-QWHCGFSZSA-N 1 0 328.413 -1.410 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134175248 787225366 /nfs/dbraw/zinc/22/53/66/787225366.db2.gz OCAJOYXJYFOKDF-STQMWFEESA-N 1 0 328.413 -1.410 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001134175589 787225198 /nfs/dbraw/zinc/22/51/98/787225198.db2.gz WXACJHPUUMGZRG-NEPJUHHUSA-N 1 0 342.396 -1.883 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001134175590 787225460 /nfs/dbraw/zinc/22/54/60/787225460.db2.gz WXACJHPUUMGZRG-NWDGAFQWSA-N 1 0 342.396 -1.883 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001134175591 787224524 /nfs/dbraw/zinc/22/45/24/787224524.db2.gz WXACJHPUUMGZRG-RYUDHWBXSA-N 1 0 342.396 -1.883 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001134175592 787225441 /nfs/dbraw/zinc/22/54/41/787225441.db2.gz WXACJHPUUMGZRG-VXGBXAGGSA-N 1 0 342.396 -1.883 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001134177872 787225334 /nfs/dbraw/zinc/22/53/34/787225334.db2.gz DQQRROCTJCQPCS-CMPLNLGQSA-N 1 0 343.428 -1.800 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001134177883 787224959 /nfs/dbraw/zinc/22/49/59/787224959.db2.gz DQQRROCTJCQPCS-JQWIXIFHSA-N 1 0 343.428 -1.800 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001134177886 787225149 /nfs/dbraw/zinc/22/51/49/787225149.db2.gz DQQRROCTJCQPCS-PWSUYJOCSA-N 1 0 343.428 -1.800 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001134177889 787224726 /nfs/dbraw/zinc/22/47/26/787224726.db2.gz DQQRROCTJCQPCS-ZYHUDNBSSA-N 1 0 343.428 -1.800 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001134178387 787224652 /nfs/dbraw/zinc/22/46/52/787224652.db2.gz LNDZNJORMJQWLX-BXKDBHETSA-N 1 0 341.412 -1.016 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001134178388 787224973 /nfs/dbraw/zinc/22/49/73/787224973.db2.gz LNDZNJORMJQWLX-CABZTGNLSA-N 1 0 341.412 -1.016 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001134178389 787225050 /nfs/dbraw/zinc/22/50/50/787225050.db2.gz LNDZNJORMJQWLX-JOYOIKCWSA-N 1 0 341.412 -1.016 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001134178390 787224688 /nfs/dbraw/zinc/22/46/88/787224688.db2.gz LNDZNJORMJQWLX-SKDRFNHKSA-N 1 0 341.412 -1.016 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001134178848 787225386 /nfs/dbraw/zinc/22/53/86/787225386.db2.gz RSOMCIXKGBAIMX-GFCCVEGCSA-N 1 0 339.396 -1.796 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001134178849 787225346 /nfs/dbraw/zinc/22/53/46/787225346.db2.gz RSOMCIXKGBAIMX-LBPRGKRZSA-N 1 0 339.396 -1.796 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001134179266 787225025 /nfs/dbraw/zinc/22/50/25/787225025.db2.gz ZSOVMRHNQILKKG-LLVKDONJSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001134179268 787224672 /nfs/dbraw/zinc/22/46/72/787224672.db2.gz ZSOVMRHNQILKKG-NSHDSACASA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1ccnn1 ZINC001134192396 787224629 /nfs/dbraw/zinc/22/46/29/787224629.db2.gz DJMYLIDBLLWPMS-NXEZZACHSA-N 1 0 325.373 -1.264 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1ccnn1 ZINC001134192397 787225018 /nfs/dbraw/zinc/22/50/18/787225018.db2.gz DJMYLIDBLLWPMS-UWVGGRQHSA-N 1 0 325.373 -1.264 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1ccnn1 ZINC001134192398 787224865 /nfs/dbraw/zinc/22/48/65/787224865.db2.gz DJMYLIDBLLWPMS-VHSXEESVSA-N 1 0 325.373 -1.264 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]CC(=O)NC(N)=O ZINC001134192399 787225393 /nfs/dbraw/zinc/22/53/93/787225393.db2.gz DJMYLIDBLLWPMS-ZJUUUORDSA-N 1 0 325.373 -1.264 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001134192744 787225182 /nfs/dbraw/zinc/22/51/82/787225182.db2.gz JEIZHEZNFVMZEE-GHMZBOCLSA-N 1 0 339.400 -1.003 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1ccnn1 ZINC001134192745 787225353 /nfs/dbraw/zinc/22/53/53/787225353.db2.gz JEIZHEZNFVMZEE-MNOVXSKESA-N 1 0 339.400 -1.003 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1ccnn1 ZINC001134192746 787224830 /nfs/dbraw/zinc/22/48/30/787224830.db2.gz JEIZHEZNFVMZEE-QWRGUYRKSA-N 1 0 339.400 -1.003 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001134192747 787225218 /nfs/dbraw/zinc/22/52/18/787225218.db2.gz JEIZHEZNFVMZEE-WDEREUQCSA-N 1 0 339.400 -1.003 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001134196752 787225240 /nfs/dbraw/zinc/22/52/40/787225240.db2.gz GTVDMSKMQXBNFI-BDAKNGLRSA-N 1 0 339.400 -1.056 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001134196754 787225140 /nfs/dbraw/zinc/22/51/40/787225140.db2.gz GTVDMSKMQXBNFI-DTWKUNHWSA-N 1 0 339.400 -1.056 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001134196756 787225322 /nfs/dbraw/zinc/22/53/22/787225322.db2.gz GTVDMSKMQXBNFI-IUCAKERBSA-N 1 0 339.400 -1.056 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001134196758 787225269 /nfs/dbraw/zinc/22/52/69/787225269.db2.gz GTVDMSKMQXBNFI-RKDXNWHRSA-N 1 0 339.400 -1.056 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccc2c1OCC2)N1CCNC(=O)C1 ZINC001134207712 787225278 /nfs/dbraw/zinc/22/52/78/787225278.db2.gz NKNVQBBHHAXCQE-UHFFFAOYSA-N 1 0 346.387 -1.101 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134212656 787225380 /nfs/dbraw/zinc/22/53/80/787225380.db2.gz ALLSBTUJCXHUOK-NXEZZACHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(=O)NC ZINC001134212657 787224989 /nfs/dbraw/zinc/22/49/89/787224989.db2.gz ALLSBTUJCXHUOK-UWVGGRQHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134212658 787224861 /nfs/dbraw/zinc/22/48/61/787224861.db2.gz ALLSBTUJCXHUOK-VHSXEESVSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)NC ZINC001134212659 787224854 /nfs/dbraw/zinc/22/48/54/787224854.db2.gz ALLSBTUJCXHUOK-ZJUUUORDSA-N 1 0 329.401 -1.159 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134213382 787224771 /nfs/dbraw/zinc/22/47/71/787224771.db2.gz GPVQPERPEQYHGY-NXEZZACHSA-N 1 0 341.412 -1.016 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134213383 787225156 /nfs/dbraw/zinc/22/51/56/787225156.db2.gz GPVQPERPEQYHGY-UWVGGRQHSA-N 1 0 341.412 -1.016 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134213384 787225288 /nfs/dbraw/zinc/22/52/88/787225288.db2.gz GPVQPERPEQYHGY-VHSXEESVSA-N 1 0 341.412 -1.016 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134213385 787224869 /nfs/dbraw/zinc/22/48/69/787224869.db2.gz GPVQPERPEQYHGY-ZJUUUORDSA-N 1 0 341.412 -1.016 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001134214876 787225320 /nfs/dbraw/zinc/22/53/20/787225320.db2.gz UBAVLRBUNCGRHJ-NEPJUHHUSA-N 1 0 328.413 -1.146 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001134214877 787225233 /nfs/dbraw/zinc/22/52/33/787225233.db2.gz UBAVLRBUNCGRHJ-NWDGAFQWSA-N 1 0 328.413 -1.146 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001134214878 787224710 /nfs/dbraw/zinc/22/47/10/787224710.db2.gz UBAVLRBUNCGRHJ-RYUDHWBXSA-N 1 0 328.413 -1.146 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001134214879 787225477 /nfs/dbraw/zinc/22/54/77/787225477.db2.gz UBAVLRBUNCGRHJ-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134215196 787225223 /nfs/dbraw/zinc/22/52/23/787225223.db2.gz XEGCZCFPWLKPPG-GHMZBOCLSA-N 1 0 341.412 -2.046 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134215197 787225297 /nfs/dbraw/zinc/22/52/97/787225297.db2.gz XEGCZCFPWLKPPG-MNOVXSKESA-N 1 0 341.412 -2.046 20 0 EAADRO CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134215198 787225340 /nfs/dbraw/zinc/22/53/40/787225340.db2.gz XEGCZCFPWLKPPG-QWRGUYRKSA-N 1 0 341.412 -2.046 20 0 EAADRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134215199 787224897 /nfs/dbraw/zinc/22/48/97/787224897.db2.gz XEGCZCFPWLKPPG-WDEREUQCSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC001134215204 787224558 /nfs/dbraw/zinc/22/45/58/787224558.db2.gz XFWYDCRGYZXNTP-GHMZBOCLSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC001134215205 787225446 /nfs/dbraw/zinc/22/54/46/787225446.db2.gz XFWYDCRGYZXNTP-MNOVXSKESA-N 1 0 348.469 -1.113 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC001134215206 787225343 /nfs/dbraw/zinc/22/53/43/787225343.db2.gz XFWYDCRGYZXNTP-QWRGUYRKSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC001134215207 787225091 /nfs/dbraw/zinc/22/50/91/787225091.db2.gz XFWYDCRGYZXNTP-WDEREUQCSA-N 1 0 348.469 -1.113 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1(C(F)(F)F)CC1)N1CCNC(=O)C1 ZINC001134215745 787225251 /nfs/dbraw/zinc/22/52/51/787225251.db2.gz LCLYVWBIIQJOCV-UHFFFAOYSA-N 1 0 336.314 -1.007 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219010 787225398 /nfs/dbraw/zinc/22/53/98/787225398.db2.gz HNSZIGOSBVFZPX-BDAKNGLRSA-N 1 0 341.368 -1.080 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219011 787224453 /nfs/dbraw/zinc/22/44/53/787224453.db2.gz HNSZIGOSBVFZPX-DTWKUNHWSA-N 1 0 341.368 -1.080 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219012 787225204 /nfs/dbraw/zinc/22/52/04/787225204.db2.gz HNSZIGOSBVFZPX-IUCAKERBSA-N 1 0 341.368 -1.080 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219013 787224910 /nfs/dbraw/zinc/22/49/10/787224910.db2.gz HNSZIGOSBVFZPX-RKDXNWHRSA-N 1 0 341.368 -1.080 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(=O)n(C)o1 ZINC001134219278 787225099 /nfs/dbraw/zinc/22/50/99/787225099.db2.gz KSNPRPYYTSGKOO-HTQZYQBOSA-N 1 0 327.341 -1.340 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(=O)n(C)o1 ZINC001134219279 787225244 /nfs/dbraw/zinc/22/52/44/787225244.db2.gz KSNPRPYYTSGKOO-JGVFFNPUSA-N 1 0 327.341 -1.340 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cc(=O)n(C)o1)[NH2+]CC(=O)NC(N)=O ZINC001134219280 787225326 /nfs/dbraw/zinc/22/53/26/787225326.db2.gz KSNPRPYYTSGKOO-SFYZADRCSA-N 1 0 327.341 -1.340 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(=O)n(C)o1 ZINC001134219281 787225308 /nfs/dbraw/zinc/22/53/08/787225308.db2.gz KSNPRPYYTSGKOO-YUMQZZPRSA-N 1 0 327.341 -1.340 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2c(c1)CCO2)N1CCNC(=O)C1 ZINC001134223530 787225357 /nfs/dbraw/zinc/22/53/57/787225357.db2.gz ZZWWLGZGPSSZTM-UHFFFAOYSA-N 1 0 346.387 -1.101 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134234472 787224822 /nfs/dbraw/zinc/22/48/22/787224822.db2.gz HLLHYGXENSVYTM-NEPJUHHUSA-N 1 0 342.440 -1.021 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(C)(C)O ZINC001134234473 787224756 /nfs/dbraw/zinc/22/47/56/787224756.db2.gz HLLHYGXENSVYTM-NWDGAFQWSA-N 1 0 342.440 -1.021 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(C)(C)O ZINC001134234474 787224609 /nfs/dbraw/zinc/22/46/09/787224609.db2.gz HLLHYGXENSVYTM-RYUDHWBXSA-N 1 0 342.440 -1.021 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(C)(C)O ZINC001134234475 787225273 /nfs/dbraw/zinc/22/52/73/787225273.db2.gz HLLHYGXENSVYTM-VXGBXAGGSA-N 1 0 342.440 -1.021 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134239337 787225331 /nfs/dbraw/zinc/22/53/31/787225331.db2.gz DRNFRPOGVKLJOX-NXEZZACHSA-N 1 0 341.412 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134239338 787224942 /nfs/dbraw/zinc/22/49/42/787224942.db2.gz DRNFRPOGVKLJOX-UWVGGRQHSA-N 1 0 341.412 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134239339 787225229 /nfs/dbraw/zinc/22/52/29/787225229.db2.gz DRNFRPOGVKLJOX-VHSXEESVSA-N 1 0 341.412 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134239340 787225067 /nfs/dbraw/zinc/22/50/67/787225067.db2.gz DRNFRPOGVKLJOX-ZJUUUORDSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001134240252 787225213 /nfs/dbraw/zinc/22/52/13/787225213.db2.gz OGDRAWICMFFCDG-BDAKNGLRSA-N 1 0 327.385 -1.468 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001134240253 787224542 /nfs/dbraw/zinc/22/45/42/787224542.db2.gz OGDRAWICMFFCDG-DTWKUNHWSA-N 1 0 327.385 -1.468 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001134240254 787224470 /nfs/dbraw/zinc/22/44/70/787224470.db2.gz OGDRAWICMFFCDG-IUCAKERBSA-N 1 0 327.385 -1.468 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001134240255 787225237 /nfs/dbraw/zinc/22/52/37/787225237.db2.gz OGDRAWICMFFCDG-RKDXNWHRSA-N 1 0 327.385 -1.468 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001134240300 787225310 /nfs/dbraw/zinc/22/53/10/787225310.db2.gz ORYLIKVQNYFRFU-NXEZZACHSA-N 1 0 338.412 -1.040 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001134240301 787225315 /nfs/dbraw/zinc/22/53/15/787225315.db2.gz ORYLIKVQNYFRFU-UWVGGRQHSA-N 1 0 338.412 -1.040 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001134240302 787225291 /nfs/dbraw/zinc/22/52/91/787225291.db2.gz ORYLIKVQNYFRFU-VHSXEESVSA-N 1 0 338.412 -1.040 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001134240303 787226444 /nfs/dbraw/zinc/22/64/44/787226444.db2.gz ORYLIKVQNYFRFU-ZJUUUORDSA-N 1 0 338.412 -1.040 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc(C2CC2)n[nH]1)N1CCNC(=O)C1 ZINC001134242197 787226133 /nfs/dbraw/zinc/22/61/33/787226133.db2.gz DSQQCELKJABNJD-UHFFFAOYSA-N 1 0 334.380 -1.435 20 0 EAADRO CCn1nc(C)cc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134258797 787225782 /nfs/dbraw/zinc/22/57/82/787225782.db2.gz QVSWXIJBZOTZJY-UHFFFAOYSA-N 1 0 336.396 -1.511 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001134259764 787225849 /nfs/dbraw/zinc/22/58/49/787225849.db2.gz FGTPHPZNHGTHFU-NXEZZACHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001134259765 787226294 /nfs/dbraw/zinc/22/62/94/787226294.db2.gz FGTPHPZNHGTHFU-UWVGGRQHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001134259766 787226276 /nfs/dbraw/zinc/22/62/76/787226276.db2.gz FGTPHPZNHGTHFU-VHSXEESVSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ncn(C)n1)[NH2+]CCNS(C)(=O)=O ZINC001134259767 787226530 /nfs/dbraw/zinc/22/65/30/787226530.db2.gz FGTPHPZNHGTHFU-ZJUUUORDSA-N 1 0 332.430 -1.149 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134260520 787226322 /nfs/dbraw/zinc/22/63/22/787226322.db2.gz KPPJDIUMTLUDAL-NXEZZACHSA-N 1 0 326.405 -1.098 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134260521 787226562 /nfs/dbraw/zinc/22/65/62/787226562.db2.gz KPPJDIUMTLUDAL-UWVGGRQHSA-N 1 0 326.405 -1.098 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134260522 787226334 /nfs/dbraw/zinc/22/63/34/787226334.db2.gz KPPJDIUMTLUDAL-VHSXEESVSA-N 1 0 326.405 -1.098 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134260523 787226373 /nfs/dbraw/zinc/22/63/73/787226373.db2.gz KPPJDIUMTLUDAL-ZJUUUORDSA-N 1 0 326.405 -1.098 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134261400 787226551 /nfs/dbraw/zinc/22/65/51/787226551.db2.gz PKBGWEIIRDPRQF-NXEZZACHSA-N 1 0 341.416 -1.200 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134261401 787226070 /nfs/dbraw/zinc/22/60/70/787226070.db2.gz PKBGWEIIRDPRQF-UWVGGRQHSA-N 1 0 341.416 -1.200 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134261402 787226234 /nfs/dbraw/zinc/22/62/34/787226234.db2.gz PKBGWEIIRDPRQF-VHSXEESVSA-N 1 0 341.416 -1.200 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134261403 787226272 /nfs/dbraw/zinc/22/62/72/787226272.db2.gz PKBGWEIIRDPRQF-ZJUUUORDSA-N 1 0 341.416 -1.200 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1ncn(C)n1 ZINC001134261621 787225977 /nfs/dbraw/zinc/22/59/77/787225977.db2.gz QRQYZAJRYJPRFA-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1ncn(C)n1 ZINC001134261625 787226409 /nfs/dbraw/zinc/22/64/09/787226409.db2.gz QRQYZAJRYJPRFA-UWVGGRQHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1ncn(C)n1 ZINC001134261627 787226343 /nfs/dbraw/zinc/22/63/43/787226343.db2.gz QRQYZAJRYJPRFA-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ncn(C)n1)[NH2+]CCN1C(=O)CNC1=O ZINC001134261629 787226399 /nfs/dbraw/zinc/22/63/99/787226399.db2.gz QRQYZAJRYJPRFA-ZJUUUORDSA-N 1 0 337.384 -1.147 20 0 EAADRO CCn1ncc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)n1 ZINC001134264989 787225914 /nfs/dbraw/zinc/22/59/14/787225914.db2.gz JBUMZNUDYCVDAZ-BDAKNGLRSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1ncc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)n1 ZINC001134264990 787226162 /nfs/dbraw/zinc/22/61/62/787226162.db2.gz JBUMZNUDYCVDAZ-DTWKUNHWSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1ncc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)n1 ZINC001134264991 787226166 /nfs/dbraw/zinc/22/61/66/787226166.db2.gz JBUMZNUDYCVDAZ-IUCAKERBSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1ncc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)n1 ZINC001134264992 787226414 /nfs/dbraw/zinc/22/64/14/787226414.db2.gz JBUMZNUDYCVDAZ-RKDXNWHRSA-N 1 0 325.373 -1.021 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1noc2c1CCCC2)N1CCNC(=O)C1 ZINC001134267101 787226050 /nfs/dbraw/zinc/22/60/50/787226050.db2.gz BTFVWDRXTOTRGE-UHFFFAOYSA-N 1 0 349.391 -1.169 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cn(C)nn1 ZINC001134269726 787226512 /nfs/dbraw/zinc/22/65/12/787226512.db2.gz JBCGVPBJNYRUSW-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cn(C)nn1 ZINC001134269727 787226087 /nfs/dbraw/zinc/22/60/87/787226087.db2.gz JBCGVPBJNYRUSW-UWVGGRQHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cn(C)nn1 ZINC001134269728 787226465 /nfs/dbraw/zinc/22/64/65/787226465.db2.gz JBCGVPBJNYRUSW-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]CCN1C(=O)CNC1=O ZINC001134269729 787226430 /nfs/dbraw/zinc/22/64/30/787226430.db2.gz JBCGVPBJNYRUSW-ZJUUUORDSA-N 1 0 337.384 -1.147 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134270354 787226267 /nfs/dbraw/zinc/22/62/67/787226267.db2.gz MYBKTCMPWYXSNS-NXEZZACHSA-N 1 0 344.416 -1.366 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134270355 787226364 /nfs/dbraw/zinc/22/63/64/787226364.db2.gz MYBKTCMPWYXSNS-UWVGGRQHSA-N 1 0 344.416 -1.366 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134270356 787225729 /nfs/dbraw/zinc/22/57/29/787225729.db2.gz MYBKTCMPWYXSNS-VHSXEESVSA-N 1 0 344.416 -1.366 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134270357 787226381 /nfs/dbraw/zinc/22/63/81/787226381.db2.gz MYBKTCMPWYXSNS-ZJUUUORDSA-N 1 0 344.416 -1.366 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134271192 787226107 /nfs/dbraw/zinc/22/61/07/787226107.db2.gz SZIYSBSTQZEWBC-BDAKNGLRSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134271200 787226204 /nfs/dbraw/zinc/22/62/04/787226204.db2.gz SZIYSBSTQZEWBC-DTWKUNHWSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134271201 787226257 /nfs/dbraw/zinc/22/62/57/787226257.db2.gz SZIYSBSTQZEWBC-IUCAKERBSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134271202 787226419 /nfs/dbraw/zinc/22/64/19/787226419.db2.gz SZIYSBSTQZEWBC-RKDXNWHRSA-N 1 0 330.389 -1.627 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001134271674 787226010 /nfs/dbraw/zinc/22/60/10/787226010.db2.gz WFAZFVCBNBJCJT-NXEZZACHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001134271675 787225832 /nfs/dbraw/zinc/22/58/32/787225832.db2.gz WFAZFVCBNBJCJT-UWVGGRQHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001134271676 787226573 /nfs/dbraw/zinc/22/65/73/787226573.db2.gz WFAZFVCBNBJCJT-VHSXEESVSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]CCNS(C)(=O)=O ZINC001134271677 787226490 /nfs/dbraw/zinc/22/64/90/787226490.db2.gz WFAZFVCBNBJCJT-ZJUUUORDSA-N 1 0 332.430 -1.149 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ccnnc2)C1 ZINC001134283328 787226260 /nfs/dbraw/zinc/22/62/60/787226260.db2.gz CAQQVVQBQLCELN-AWEZNQCLSA-N 1 0 348.407 -1.077 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ccnnc2)C1 ZINC001134283330 787226367 /nfs/dbraw/zinc/22/63/67/787226367.db2.gz CAQQVVQBQLCELN-CQSZACIVSA-N 1 0 348.407 -1.077 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134283405 787226435 /nfs/dbraw/zinc/22/64/35/787226435.db2.gz FBBOLJACADBUJK-UHFFFAOYSA-N 1 0 336.396 -1.173 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)c2ccnnc2)CC1 ZINC001134283491 787226020 /nfs/dbraw/zinc/22/60/20/787226020.db2.gz GMWOWSHPBHREPE-UHFFFAOYSA-N 1 0 348.407 -1.077 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnnn1C ZINC001134287689 787225930 /nfs/dbraw/zinc/22/59/30/787225930.db2.gz BFOBQHWJGNNRRV-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnnn1C ZINC001134287690 787226450 /nfs/dbraw/zinc/22/64/50/787226450.db2.gz BFOBQHWJGNNRRV-UWVGGRQHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnnn1C ZINC001134287691 787226487 /nfs/dbraw/zinc/22/64/87/787226487.db2.gz BFOBQHWJGNNRRV-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]CCN1C(=O)CNC1=O ZINC001134287692 787226291 /nfs/dbraw/zinc/22/62/91/787226291.db2.gz BFOBQHWJGNNRRV-ZJUUUORDSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001134288825 787226505 /nfs/dbraw/zinc/22/65/05/787226505.db2.gz NZZUBJJYWUSHBD-NXEZZACHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001134288826 787225815 /nfs/dbraw/zinc/22/58/15/787225815.db2.gz NZZUBJJYWUSHBD-UWVGGRQHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001134288828 787226099 /nfs/dbraw/zinc/22/60/99/787226099.db2.gz NZZUBJJYWUSHBD-VHSXEESVSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]CCNS(C)(=O)=O ZINC001134288830 787225959 /nfs/dbraw/zinc/22/59/59/787225959.db2.gz NZZUBJJYWUSHBD-ZJUUUORDSA-N 1 0 332.430 -1.149 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134289563 787226392 /nfs/dbraw/zinc/22/63/92/787226392.db2.gz VJPOSPZQPZKUFL-BDAKNGLRSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001134289564 787226484 /nfs/dbraw/zinc/22/64/84/787226484.db2.gz VJPOSPZQPZKUFL-DTWKUNHWSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134289565 787226302 /nfs/dbraw/zinc/22/63/02/787226302.db2.gz VJPOSPZQPZKUFL-IUCAKERBSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001134289566 787226478 /nfs/dbraw/zinc/22/64/78/787226478.db2.gz VJPOSPZQPZKUFL-RKDXNWHRSA-N 1 0 325.373 -1.243 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccnnc1 ZINC001134290272 787226470 /nfs/dbraw/zinc/22/64/70/787226470.db2.gz LOEFCYRKRDOPPN-UHFFFAOYSA-N 1 0 345.425 -1.248 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccnnc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001134290504 787226116 /nfs/dbraw/zinc/22/61/16/787226116.db2.gz QMMFFWSZRSJITI-AAEUAGOBSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccnnc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001134290505 787226312 /nfs/dbraw/zinc/22/63/12/787226312.db2.gz QMMFFWSZRSJITI-DGCLKSJQSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccnnc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001134290506 787225702 /nfs/dbraw/zinc/22/57/02/787225702.db2.gz QMMFFWSZRSJITI-WCQYABFASA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccnnc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001134290507 787226002 /nfs/dbraw/zinc/22/60/02/787226002.db2.gz QMMFFWSZRSJITI-YPMHNXCESA-N 1 0 348.407 -1.092 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2ccnnc2)CC1 ZINC001134290845 787226283 /nfs/dbraw/zinc/22/62/83/787226283.db2.gz YRJNOMBISNZRCC-UHFFFAOYSA-N 1 0 334.380 -1.480 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccnnc1)NCCCN1CCCC1=O ZINC001134291670 787226518 /nfs/dbraw/zinc/22/65/18/787226518.db2.gz BMPJGWADABBIMJ-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccnnc1)NCC(=O)N1CCCC1 ZINC001134291726 787226211 /nfs/dbraw/zinc/22/62/11/787226211.db2.gz DPXOZRSTDHVQMA-UHFFFAOYSA-N 1 0 334.380 -1.465 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134291913 787225678 /nfs/dbraw/zinc/22/56/78/787225678.db2.gz MDAWQSFNWZBZDT-JTQLQIEISA-N 1 0 338.368 -1.343 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134291914 787226038 /nfs/dbraw/zinc/22/60/38/787226038.db2.gz MDAWQSFNWZBZDT-SNVBAGLBSA-N 1 0 338.368 -1.343 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2ccnnc2)CC1 ZINC001134291915 787226494 /nfs/dbraw/zinc/22/64/94/787226494.db2.gz MEBWOYCDTMTGRK-UHFFFAOYSA-N 1 0 334.380 -1.513 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134291975 787225640 /nfs/dbraw/zinc/22/56/40/787225640.db2.gz OLGDWNUJNQFFNO-UHFFFAOYSA-N 1 0 336.396 -1.219 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCNC(=O)c2ccnnc2)CC1 ZINC001134292014 787226456 /nfs/dbraw/zinc/22/64/56/787226456.db2.gz QGPBVIMQMQPFDV-GFCCVEGCSA-N 1 0 348.407 -1.125 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCNC(=O)c2ccnnc2)CC1 ZINC001134292015 787226170 /nfs/dbraw/zinc/22/61/70/787226170.db2.gz QGPBVIMQMQPFDV-LBPRGKRZSA-N 1 0 348.407 -1.125 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccnnc1)C(=O)N1CCC(C(N)=O)CC1 ZINC001134292051 787226193 /nfs/dbraw/zinc/22/61/93/787226193.db2.gz RWSAPQMTINSGLS-LLVKDONJSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccnnc1)C(=O)N1CCC(C(N)=O)CC1 ZINC001134292052 787225965 /nfs/dbraw/zinc/22/59/65/787225965.db2.gz RWSAPQMTINSGLS-NSHDSACASA-N 1 0 348.407 -1.092 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2ccnnc2)CC1 ZINC001134292070 787226229 /nfs/dbraw/zinc/22/62/29/787226229.db2.gz SOQQCYVQBKQRKD-UHFFFAOYSA-N 1 0 348.407 -1.219 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ccnnc2)C1 ZINC001134292309 787225895 /nfs/dbraw/zinc/22/58/95/787225895.db2.gz XFLRAICQZIZRHB-GFCCVEGCSA-N 1 0 334.380 -1.480 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ccnnc2)C1 ZINC001134292311 787226385 /nfs/dbraw/zinc/22/63/85/787226385.db2.gz XFLRAICQZIZRHB-LBPRGKRZSA-N 1 0 334.380 -1.480 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncc[nH]1 ZINC001134294375 787226579 /nfs/dbraw/zinc/22/65/79/787226579.db2.gz REMMBSLFUFXWNA-GHMZBOCLSA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ncc[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134294376 787226501 /nfs/dbraw/zinc/22/65/01/787226501.db2.gz REMMBSLFUFXWNA-MNOVXSKESA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncc[nH]1 ZINC001134294377 787226319 /nfs/dbraw/zinc/22/63/19/787226319.db2.gz REMMBSLFUFXWNA-QWRGUYRKSA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncc[nH]1 ZINC001134294378 787225944 /nfs/dbraw/zinc/22/59/44/787225944.db2.gz REMMBSLFUFXWNA-WDEREUQCSA-N 1 0 336.396 -1.145 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001134298855 787226250 /nfs/dbraw/zinc/22/62/50/787226250.db2.gz NIOQDMWAGRHHGM-BDAKNGLRSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001134298856 787226310 /nfs/dbraw/zinc/22/63/10/787226310.db2.gz NIOQDMWAGRHHGM-DTWKUNHWSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001134298857 787226268 /nfs/dbraw/zinc/22/62/68/787226268.db2.gz NIOQDMWAGRHHGM-IUCAKERBSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001134298858 787226278 /nfs/dbraw/zinc/22/62/78/787226278.db2.gz NIOQDMWAGRHHGM-RKDXNWHRSA-N 1 0 325.373 -1.243 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)o1 ZINC001134299915 787227018 /nfs/dbraw/zinc/22/70/18/787227018.db2.gz XQFAIKKCEVJSGA-HTQZYQBOSA-N 1 0 326.357 -1.012 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)o1 ZINC001134299916 787227192 /nfs/dbraw/zinc/22/71/92/787227192.db2.gz XQFAIKKCEVJSGA-JGVFFNPUSA-N 1 0 326.357 -1.012 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)o1 ZINC001134299917 787227450 /nfs/dbraw/zinc/22/74/50/787227450.db2.gz XQFAIKKCEVJSGA-SFYZADRCSA-N 1 0 326.357 -1.012 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)o1 ZINC001134299918 787227248 /nfs/dbraw/zinc/22/72/48/787227248.db2.gz XQFAIKKCEVJSGA-YUMQZZPRSA-N 1 0 326.357 -1.012 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001134303695 787227064 /nfs/dbraw/zinc/22/70/64/787227064.db2.gz UBCAWOMRMQMKSM-BDAKNGLRSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001134303696 787227348 /nfs/dbraw/zinc/22/73/48/787227348.db2.gz UBCAWOMRMQMKSM-DTWKUNHWSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001134303697 787227415 /nfs/dbraw/zinc/22/74/15/787227415.db2.gz UBCAWOMRMQMKSM-IUCAKERBSA-N 1 0 325.373 -1.243 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001134303698 787227644 /nfs/dbraw/zinc/22/76/44/787227644.db2.gz UBCAWOMRMQMKSM-RKDXNWHRSA-N 1 0 325.373 -1.243 20 0 EAADRO CCn1nncc1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134327064 787227142 /nfs/dbraw/zinc/22/71/42/787227142.db2.gz YRBDORYLVRUVNZ-BDAKNGLRSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1nncc1C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134327065 787227506 /nfs/dbraw/zinc/22/75/06/787227506.db2.gz YRBDORYLVRUVNZ-DTWKUNHWSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1nncc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134327066 787227403 /nfs/dbraw/zinc/22/74/03/787227403.db2.gz YRBDORYLVRUVNZ-IUCAKERBSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1nncc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134327067 787227551 /nfs/dbraw/zinc/22/75/51/787227551.db2.gz YRBDORYLVRUVNZ-RKDXNWHRSA-N 1 0 325.373 -1.021 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)on1 ZINC001134351298 787227407 /nfs/dbraw/zinc/22/74/07/787227407.db2.gz AGMFLFTYBFSUFC-SECBINFHSA-N 1 0 347.397 -1.435 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)on1 ZINC001134351301 787227516 /nfs/dbraw/zinc/22/75/16/787227516.db2.gz AGMFLFTYBFSUFC-VIFPVBQESA-N 1 0 347.397 -1.435 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001134351383 787227523 /nfs/dbraw/zinc/22/75/23/787227523.db2.gz AXTKIRIXCXCKPK-SECBINFHSA-N 1 0 344.459 -2.479 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001134351385 787227764 /nfs/dbraw/zinc/22/77/64/787227764.db2.gz AXTKIRIXCXCKPK-VIFPVBQESA-N 1 0 344.459 -2.479 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001134351437 787227825 /nfs/dbraw/zinc/22/78/25/787227825.db2.gz BKGWFFNBUGTPGC-JTQLQIEISA-N 1 0 346.409 -1.461 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001134351438 787227739 /nfs/dbraw/zinc/22/77/39/787227739.db2.gz BKGWFFNBUGTPGC-SNVBAGLBSA-N 1 0 346.409 -1.461 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001134351445 787227364 /nfs/dbraw/zinc/22/73/64/787227364.db2.gz BMLXEYBHSHKGFT-JTQLQIEISA-N 1 0 342.421 -1.071 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001134351446 787227454 /nfs/dbraw/zinc/22/74/54/787227454.db2.gz BMLXEYBHSHKGFT-SNVBAGLBSA-N 1 0 342.421 -1.071 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001134351447 787227050 /nfs/dbraw/zinc/22/70/50/787227050.db2.gz BQGJKCVLABMAMA-SECBINFHSA-N 1 0 344.397 -1.941 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001134351448 787227471 /nfs/dbraw/zinc/22/74/71/787227471.db2.gz BQGJKCVLABMAMA-VIFPVBQESA-N 1 0 344.397 -1.941 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134351453 787227618 /nfs/dbraw/zinc/22/76/18/787227618.db2.gz BRYYECXGWZKAJD-SECBINFHSA-N 1 0 349.413 -3.412 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134351454 787227206 /nfs/dbraw/zinc/22/72/06/787227206.db2.gz BRYYECXGWZKAJD-VIFPVBQESA-N 1 0 349.413 -3.412 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134351461 787227323 /nfs/dbraw/zinc/22/73/23/787227323.db2.gz BWEUJOIRMXYVCT-JTQLQIEISA-N 1 0 336.414 -2.511 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134351462 787227376 /nfs/dbraw/zinc/22/73/76/787227376.db2.gz BWEUJOIRMXYVCT-SNVBAGLBSA-N 1 0 336.414 -2.511 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)no1 ZINC001134351575 787227286 /nfs/dbraw/zinc/22/72/86/787227286.db2.gz CGNKGDFXACPWIL-SECBINFHSA-N 1 0 347.397 -1.435 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)no1 ZINC001134351576 787227564 /nfs/dbraw/zinc/22/75/64/787227564.db2.gz CGNKGDFXACPWIL-VIFPVBQESA-N 1 0 347.397 -1.435 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001134351577 787227427 /nfs/dbraw/zinc/22/74/27/787227427.db2.gz CHGOJXMATOTAMZ-SSDOTTSWSA-N 1 0 348.347 -1.692 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001134351578 787227509 /nfs/dbraw/zinc/22/75/09/787227509.db2.gz CHGOJXMATOTAMZ-ZETCQYMHSA-N 1 0 348.347 -1.692 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001134351686 787227856 /nfs/dbraw/zinc/22/78/56/787227856.db2.gz CYAZVHAZRVQRJY-NXEZZACHSA-N 1 0 330.414 -1.591 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001134351687 787227033 /nfs/dbraw/zinc/22/70/33/787227033.db2.gz CYAZVHAZRVQRJY-UWVGGRQHSA-N 1 0 330.414 -1.591 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001134351688 787227816 /nfs/dbraw/zinc/22/78/16/787227816.db2.gz CYAZVHAZRVQRJY-VHSXEESVSA-N 1 0 330.414 -1.591 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001134351689 787227310 /nfs/dbraw/zinc/22/73/10/787227310.db2.gz CYAZVHAZRVQRJY-ZJUUUORDSA-N 1 0 330.414 -1.591 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134351711 787227444 /nfs/dbraw/zinc/22/74/44/787227444.db2.gz DCGAHIZVUHEREG-JTQLQIEISA-N 1 0 337.446 -1.663 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134351712 787227665 /nfs/dbraw/zinc/22/76/65/787227665.db2.gz DCGAHIZVUHEREG-SNVBAGLBSA-N 1 0 337.446 -1.663 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001134351739 787227199 /nfs/dbraw/zinc/22/71/99/787227199.db2.gz DSLWYEISTOWNAK-JTQLQIEISA-N 1 0 336.458 -1.208 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001134351740 787227438 /nfs/dbraw/zinc/22/74/38/787227438.db2.gz DSLWYEISTOWNAK-SNVBAGLBSA-N 1 0 336.458 -1.208 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134351751 787227639 /nfs/dbraw/zinc/22/76/39/787227639.db2.gz DZFMGSWGUMLBJJ-MRVPVSSYSA-N 1 0 337.402 -2.524 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134351752 787227712 /nfs/dbraw/zinc/22/77/12/787227712.db2.gz DZFMGSWGUMLBJJ-QMMMGPOBSA-N 1 0 337.402 -2.524 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001134351977 787227212 /nfs/dbraw/zinc/22/72/12/787227212.db2.gz FYTYKBLRHHAJLI-SECBINFHSA-N 1 0 331.398 -1.371 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001134351979 787227839 /nfs/dbraw/zinc/22/78/39/787227839.db2.gz FYTYKBLRHHAJLI-VIFPVBQESA-N 1 0 331.398 -1.371 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352042 787227292 /nfs/dbraw/zinc/22/72/92/787227292.db2.gz HPEFQLXUAKKEQF-JTQLQIEISA-N 1 0 332.430 -1.250 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134352043 787227419 /nfs/dbraw/zinc/22/74/19/787227419.db2.gz HPEFQLXUAKKEQF-SNVBAGLBSA-N 1 0 332.430 -1.250 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134352131 787227186 /nfs/dbraw/zinc/22/71/86/787227186.db2.gz NTXRYGKTYDLVMN-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134352132 787227278 /nfs/dbraw/zinc/22/72/78/787227278.db2.gz NTXRYGKTYDLVMN-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134352133 787227170 /nfs/dbraw/zinc/22/71/70/787227170.db2.gz NTXRYGKTYDLVMN-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134352134 787227688 /nfs/dbraw/zinc/22/76/88/787227688.db2.gz NTXRYGKTYDLVMN-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001134352258 787227382 /nfs/dbraw/zinc/22/73/82/787227382.db2.gz KCTBFWQOJRLHMH-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001134352259 787227253 /nfs/dbraw/zinc/22/72/53/787227253.db2.gz KCTBFWQOJRLHMH-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352264 787227264 /nfs/dbraw/zinc/22/72/64/787227264.db2.gz KEUVWWMFJREQFG-JTQLQIEISA-N 1 0 338.430 -2.217 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134352265 787227332 /nfs/dbraw/zinc/22/73/32/787227332.db2.gz KEUVWWMFJREQFG-SNVBAGLBSA-N 1 0 338.430 -2.217 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134352351 787227351 /nfs/dbraw/zinc/22/73/51/787227351.db2.gz PSYQATHRPSJUKJ-NXEZZACHSA-N 1 0 347.445 -1.478 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134352352 787227752 /nfs/dbraw/zinc/22/77/52/787227752.db2.gz PSYQATHRPSJUKJ-UWVGGRQHSA-N 1 0 347.445 -1.478 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134352353 787228490 /nfs/dbraw/zinc/22/84/90/787228490.db2.gz PSYQATHRPSJUKJ-VHSXEESVSA-N 1 0 347.445 -1.478 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134352354 787229168 /nfs/dbraw/zinc/22/91/68/787229168.db2.gz PSYQATHRPSJUKJ-ZJUUUORDSA-N 1 0 347.445 -1.478 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001134352469 787228686 /nfs/dbraw/zinc/22/86/86/787228686.db2.gz KRBGCHLTAIRVSV-JTQLQIEISA-N 1 0 334.442 -1.311 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001134352470 787229428 /nfs/dbraw/zinc/22/94/28/787229428.db2.gz KRBGCHLTAIRVSV-SNVBAGLBSA-N 1 0 334.442 -1.311 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001134352547 787228360 /nfs/dbraw/zinc/22/83/60/787228360.db2.gz MMAHOCZFUDBXIW-GHMZBOCLSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001134352548 787228645 /nfs/dbraw/zinc/22/86/45/787228645.db2.gz MMAHOCZFUDBXIW-MNOVXSKESA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001134352549 787228388 /nfs/dbraw/zinc/22/83/88/787228388.db2.gz MMAHOCZFUDBXIW-QWRGUYRKSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001134352550 787228262 /nfs/dbraw/zinc/22/82/62/787228262.db2.gz MMAHOCZFUDBXIW-WDEREUQCSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001134352566 787228445 /nfs/dbraw/zinc/22/84/45/787228445.db2.gz MQBHENXDMPGOCO-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001134352567 787228538 /nfs/dbraw/zinc/22/85/38/787228538.db2.gz MQBHENXDMPGOCO-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134352711 787229221 /nfs/dbraw/zinc/22/92/21/787229221.db2.gz SOONDWNJFZUQCT-NEPJUHHUSA-N 1 0 339.458 -1.193 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134352714 787228615 /nfs/dbraw/zinc/22/86/15/787228615.db2.gz SOONDWNJFZUQCT-NWDGAFQWSA-N 1 0 339.458 -1.193 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134352715 787228727 /nfs/dbraw/zinc/22/87/27/787228727.db2.gz SOONDWNJFZUQCT-RYUDHWBXSA-N 1 0 339.458 -1.193 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134352720 787229159 /nfs/dbraw/zinc/22/91/59/787229159.db2.gz SOONDWNJFZUQCT-VXGBXAGGSA-N 1 0 339.458 -1.193 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352741 787229109 /nfs/dbraw/zinc/22/91/09/787229109.db2.gz NPJRLMSSLGCTCH-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134352745 787229370 /nfs/dbraw/zinc/22/93/70/787229370.db2.gz NPJRLMSSLGCTCH-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134352819 787229249 /nfs/dbraw/zinc/22/92/49/787229249.db2.gz ODYJBOQISLTZME-GHMZBOCLSA-N 1 0 341.430 -2.346 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134352821 787228472 /nfs/dbraw/zinc/22/84/72/787228472.db2.gz ODYJBOQISLTZME-MNOVXSKESA-N 1 0 341.430 -2.346 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352822 787228338 /nfs/dbraw/zinc/22/83/38/787228338.db2.gz ODYJBOQISLTZME-QWRGUYRKSA-N 1 0 341.430 -2.346 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352823 787229305 /nfs/dbraw/zinc/22/93/05/787229305.db2.gz ODYJBOQISLTZME-WDEREUQCSA-N 1 0 341.430 -2.346 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001134352852 787228576 /nfs/dbraw/zinc/22/85/76/787228576.db2.gz OPVCYTMKTCKRKO-CMPLNLGQSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001134352853 787228863 /nfs/dbraw/zinc/22/88/63/787228863.db2.gz OPVCYTMKTCKRKO-JQWIXIFHSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001134352854 787228965 /nfs/dbraw/zinc/22/89/65/787228965.db2.gz OPVCYTMKTCKRKO-PWSUYJOCSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001134352855 787229324 /nfs/dbraw/zinc/22/93/24/787229324.db2.gz OPVCYTMKTCKRKO-ZYHUDNBSSA-N 1 0 346.453 -1.217 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352875 787228304 /nfs/dbraw/zinc/22/83/04/787228304.db2.gz UFLOFXUNTPCQPM-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352876 787228517 /nfs/dbraw/zinc/22/85/17/787228517.db2.gz UFLOFXUNTPCQPM-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352877 787228412 /nfs/dbraw/zinc/22/84/12/787228412.db2.gz UFLOFXUNTPCQPM-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352878 787228879 /nfs/dbraw/zinc/22/88/79/787228879.db2.gz UFLOFXUNTPCQPM-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001134352976 787229032 /nfs/dbraw/zinc/22/90/32/787229032.db2.gz PEPMKDROBVDQEE-MRVPVSSYSA-N 1 0 349.438 -1.275 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001134352977 787229440 /nfs/dbraw/zinc/22/94/40/787229440.db2.gz PEPMKDROBVDQEE-QMMMGPOBSA-N 1 0 349.438 -1.275 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001134353016 787228744 /nfs/dbraw/zinc/22/87/44/787228744.db2.gz QOTSHLPRNAUAFT-JTQLQIEISA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001134353017 787229180 /nfs/dbraw/zinc/22/91/80/787229180.db2.gz QOTSHLPRNAUAFT-SNVBAGLBSA-N 1 0 334.442 -1.502 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)nn1 ZINC001134353062 787228917 /nfs/dbraw/zinc/22/89/17/787228917.db2.gz RMTFHGSUKIINMX-SECBINFHSA-N 1 0 331.398 -1.371 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)nn1 ZINC001134353063 787228802 /nfs/dbraw/zinc/22/88/02/787228802.db2.gz RMTFHGSUKIINMX-VIFPVBQESA-N 1 0 331.398 -1.371 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001134353264 787228274 /nfs/dbraw/zinc/22/82/74/787228274.db2.gz SIJFJVSPLPDSRH-JTQLQIEISA-N 1 0 330.410 -1.471 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001134353268 787228554 /nfs/dbraw/zinc/22/85/54/787228554.db2.gz SIJFJVSPLPDSRH-SNVBAGLBSA-N 1 0 330.410 -1.471 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)c(C)n1 ZINC001134353312 787228313 /nfs/dbraw/zinc/22/83/13/787228313.db2.gz SWZWYXSQGYUWBB-JTQLQIEISA-N 1 0 345.425 -1.063 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)n1 ZINC001134353316 787228984 /nfs/dbraw/zinc/22/89/84/787228984.db2.gz SWZWYXSQGYUWBB-SNVBAGLBSA-N 1 0 345.425 -1.063 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353339 787228885 /nfs/dbraw/zinc/22/88/85/787228885.db2.gz TYZJLJGYKPCMFM-JTQLQIEISA-N 1 0 338.430 -2.217 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353340 787228481 /nfs/dbraw/zinc/22/84/81/787228481.db2.gz TYZJLJGYKPCMFM-SNVBAGLBSA-N 1 0 338.430 -2.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCC(C)CC1 ZINC001134353391 787228227 /nfs/dbraw/zinc/22/82/27/787228227.db2.gz UUWCDUPTUOCJIK-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCC(C)CC1 ZINC001134353393 787229393 /nfs/dbraw/zinc/22/93/93/787229393.db2.gz UUWCDUPTUOCJIK-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001134353646 787228888 /nfs/dbraw/zinc/22/88/88/787228888.db2.gz VRMDKUGCWDKELQ-NEPJUHHUSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001134353647 787228848 /nfs/dbraw/zinc/22/88/48/787228848.db2.gz VRMDKUGCWDKELQ-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001134353648 787229354 /nfs/dbraw/zinc/22/93/54/787229354.db2.gz VRMDKUGCWDKELQ-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001134353649 787228789 /nfs/dbraw/zinc/22/87/89/787228789.db2.gz VRMDKUGCWDKELQ-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001134353662 787229240 /nfs/dbraw/zinc/22/92/40/787229240.db2.gz VVYMAVDAOJSHGG-HTQZYQBOSA-N 1 0 335.348 -1.057 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001134353663 787228593 /nfs/dbraw/zinc/22/85/93/787228593.db2.gz VVYMAVDAOJSHGG-JGVFFNPUSA-N 1 0 335.348 -1.057 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001134353664 787228607 /nfs/dbraw/zinc/22/86/07/787228607.db2.gz VVYMAVDAOJSHGG-SFYZADRCSA-N 1 0 335.348 -1.057 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001134353665 787229464 /nfs/dbraw/zinc/22/94/64/787229464.db2.gz VVYMAVDAOJSHGG-YUMQZZPRSA-N 1 0 335.348 -1.057 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001134353704 787229154 /nfs/dbraw/zinc/22/91/54/787229154.db2.gz WVEOVNRMDJLCIU-SECBINFHSA-N 1 0 332.430 -1.462 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001134353707 787228930 /nfs/dbraw/zinc/22/89/30/787228930.db2.gz WVEOVNRMDJLCIU-VIFPVBQESA-N 1 0 332.430 -1.462 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134353854 787229257 /nfs/dbraw/zinc/22/92/57/787229257.db2.gz XSVMXOWKOJDKRT-MRVPVSSYSA-N 1 0 349.413 -2.382 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134353856 787229409 /nfs/dbraw/zinc/22/94/09/787229409.db2.gz XSVMXOWKOJDKRT-QMMMGPOBSA-N 1 0 349.413 -2.382 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001134353862 787229000 /nfs/dbraw/zinc/22/90/00/787229000.db2.gz XVDHCWXXCWYTMI-JTQLQIEISA-N 1 0 342.421 -1.071 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001134353864 787228656 /nfs/dbraw/zinc/22/86/56/787228656.db2.gz XVDHCWXXCWYTMI-SNVBAGLBSA-N 1 0 342.421 -1.071 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353887 787229048 /nfs/dbraw/zinc/22/90/48/787229048.db2.gz XYUFUZJRSPMORP-JTQLQIEISA-N 1 0 338.430 -2.217 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353888 787229063 /nfs/dbraw/zinc/22/90/63/787229063.db2.gz XYUFUZJRSPMORP-SNVBAGLBSA-N 1 0 338.430 -2.217 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001134353982 787228815 /nfs/dbraw/zinc/22/88/15/787228815.db2.gz YOMQGMKQOGUPRJ-SECBINFHSA-N 1 0 333.414 -1.046 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001134353984 787229080 /nfs/dbraw/zinc/22/90/80/787229080.db2.gz YOMQGMKQOGUPRJ-VIFPVBQESA-N 1 0 333.414 -1.046 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353998 787228254 /nfs/dbraw/zinc/22/82/54/787228254.db2.gz YTEDSGJFMQQMEW-GHMZBOCLSA-N 1 0 336.458 -1.209 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134354011 787228368 /nfs/dbraw/zinc/22/83/68/787228368.db2.gz YTEDSGJFMQQMEW-MNOVXSKESA-N 1 0 336.458 -1.209 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134354012 787228773 /nfs/dbraw/zinc/22/87/73/787228773.db2.gz YTEDSGJFMQQMEW-QWRGUYRKSA-N 1 0 336.458 -1.209 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134354013 787229018 /nfs/dbraw/zinc/22/90/18/787229018.db2.gz YTEDSGJFMQQMEW-WDEREUQCSA-N 1 0 336.458 -1.209 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001134354028 787229970 /nfs/dbraw/zinc/22/99/70/787229970.db2.gz ZFUHRMBXZNQGLC-SECBINFHSA-N 1 0 331.398 -1.371 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001134354029 787230025 /nfs/dbraw/zinc/23/00/25/787230025.db2.gz ZFUHRMBXZNQGLC-VIFPVBQESA-N 1 0 331.398 -1.371 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001134354032 787229988 /nfs/dbraw/zinc/22/99/88/787229988.db2.gz ZGJGGJZIXHMDNA-NXEZZACHSA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001134354033 787229830 /nfs/dbraw/zinc/22/98/30/787229830.db2.gz ZGJGGJZIXHMDNA-UWVGGRQHSA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001134354034 787230233 /nfs/dbraw/zinc/23/02/33/787230233.db2.gz ZGJGGJZIXHMDNA-VHSXEESVSA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001134354035 787231094 /nfs/dbraw/zinc/23/10/94/787231094.db2.gz ZGJGGJZIXHMDNA-ZJUUUORDSA-N 1 0 341.455 -1.935 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)[nH]1 ZINC001134355265 787231075 /nfs/dbraw/zinc/23/10/75/787231075.db2.gz DMAHVOWFIYNOSJ-HTQZYQBOSA-N 1 0 325.373 -1.277 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)[nH]1 ZINC001134355266 787230764 /nfs/dbraw/zinc/23/07/64/787230764.db2.gz DMAHVOWFIYNOSJ-JGVFFNPUSA-N 1 0 325.373 -1.277 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)[nH]1 ZINC001134355267 787230288 /nfs/dbraw/zinc/23/02/88/787230288.db2.gz DMAHVOWFIYNOSJ-SFYZADRCSA-N 1 0 325.373 -1.277 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)[nH]1 ZINC001134355268 787229708 /nfs/dbraw/zinc/22/97/08/787229708.db2.gz DMAHVOWFIYNOSJ-YUMQZZPRSA-N 1 0 325.373 -1.277 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134355628 787231088 /nfs/dbraw/zinc/23/10/88/787231088.db2.gz AGRPUCUXAFNVKE-MRVPVSSYSA-N 1 0 335.386 -2.818 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134355631 787230481 /nfs/dbraw/zinc/23/04/81/787230481.db2.gz AGRPUCUXAFNVKE-QMMMGPOBSA-N 1 0 335.386 -2.818 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134355738 787230425 /nfs/dbraw/zinc/23/04/25/787230425.db2.gz CVQIBHWRRYVDRP-SECBINFHSA-N 1 0 344.459 -2.431 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134355739 787230487 /nfs/dbraw/zinc/23/04/87/787230487.db2.gz CVQIBHWRRYVDRP-VIFPVBQESA-N 1 0 344.459 -2.431 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001134355968 787230324 /nfs/dbraw/zinc/23/03/24/787230324.db2.gz GKZQCELCMAZORV-SECBINFHSA-N 1 0 329.444 -1.935 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001134355969 787230911 /nfs/dbraw/zinc/23/09/11/787230911.db2.gz GKZQCELCMAZORV-VIFPVBQESA-N 1 0 329.444 -1.935 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356575 787229890 /nfs/dbraw/zinc/22/98/90/787229890.db2.gz PQNMRNWHBNUHHQ-BDAKNGLRSA-N 1 0 339.400 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356585 787230399 /nfs/dbraw/zinc/23/03/99/787230399.db2.gz PQNMRNWHBNUHHQ-DTWKUNHWSA-N 1 0 339.400 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356587 787229756 /nfs/dbraw/zinc/22/97/56/787229756.db2.gz PQNMRNWHBNUHHQ-IUCAKERBSA-N 1 0 339.400 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356590 787231057 /nfs/dbraw/zinc/23/10/57/787231057.db2.gz PQNMRNWHBNUHHQ-RKDXNWHRSA-N 1 0 339.400 -1.016 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134356735 787230547 /nfs/dbraw/zinc/23/05/47/787230547.db2.gz OTGURUJFUOPIEO-MRVPVSSYSA-N 1 0 330.432 -2.821 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134356738 787230575 /nfs/dbraw/zinc/23/05/75/787230575.db2.gz OTGURUJFUOPIEO-QMMMGPOBSA-N 1 0 330.432 -2.821 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134356968 787229780 /nfs/dbraw/zinc/22/97/80/787229780.db2.gz SCCUBYPHOGVFLX-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134356975 787230917 /nfs/dbraw/zinc/23/09/17/787230917.db2.gz SCCUBYPHOGVFLX-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134359260 787230338 /nfs/dbraw/zinc/23/03/38/787230338.db2.gz ANHOADOMFJJDDA-GHMZBOCLSA-N 1 0 336.458 -1.115 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134359261 787229729 /nfs/dbraw/zinc/22/97/29/787229729.db2.gz ANHOADOMFJJDDA-MNOVXSKESA-N 1 0 336.458 -1.115 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134359262 787230524 /nfs/dbraw/zinc/23/05/24/787230524.db2.gz ANHOADOMFJJDDA-QWRGUYRKSA-N 1 0 336.458 -1.115 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134359263 787231005 /nfs/dbraw/zinc/23/10/05/787231005.db2.gz ANHOADOMFJJDDA-WDEREUQCSA-N 1 0 336.458 -1.115 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001134359318 787231069 /nfs/dbraw/zinc/23/10/69/787231069.db2.gz CKQVVPPPMJQOAL-NEPJUHHUSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001134359319 787230804 /nfs/dbraw/zinc/23/08/04/787230804.db2.gz CKQVVPPPMJQOAL-NWDGAFQWSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001134359320 787229821 /nfs/dbraw/zinc/22/98/21/787229821.db2.gz CKQVVPPPMJQOAL-RYUDHWBXSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001134359321 787230674 /nfs/dbraw/zinc/23/06/74/787230674.db2.gz CKQVVPPPMJQOAL-VXGBXAGGSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001134359323 787230106 /nfs/dbraw/zinc/23/01/06/787230106.db2.gz CNKPFABFDIEONC-MRVPVSSYSA-N 1 0 333.370 -1.743 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001134359324 787229950 /nfs/dbraw/zinc/22/99/50/787229950.db2.gz CNKPFABFDIEONC-QMMMGPOBSA-N 1 0 333.370 -1.743 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)CS(C)(=O)=O ZINC001134359653 787231041 /nfs/dbraw/zinc/23/10/41/787231041.db2.gz IJONOWATDAHOSD-NXEZZACHSA-N 1 0 343.471 -1.689 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)CS(C)(=O)=O ZINC001134359655 787230377 /nfs/dbraw/zinc/23/03/77/787230377.db2.gz IJONOWATDAHOSD-UWVGGRQHSA-N 1 0 343.471 -1.689 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001134359656 787230588 /nfs/dbraw/zinc/23/05/88/787230588.db2.gz IJONOWATDAHOSD-VHSXEESVSA-N 1 0 343.471 -1.689 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)CS(C)(=O)=O ZINC001134359657 787230871 /nfs/dbraw/zinc/23/08/71/787230871.db2.gz IJONOWATDAHOSD-ZJUUUORDSA-N 1 0 343.471 -1.689 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134359701 787230615 /nfs/dbraw/zinc/23/06/15/787230615.db2.gz IZQKHTBSTIYYRN-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134359703 787230216 /nfs/dbraw/zinc/23/02/16/787230216.db2.gz IZQKHTBSTIYYRN-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134359704 787230302 /nfs/dbraw/zinc/23/03/02/787230302.db2.gz IZQKHTBSTIYYRN-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134359706 787230930 /nfs/dbraw/zinc/23/09/30/787230930.db2.gz IZQKHTBSTIYYRN-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001134359969 787230783 /nfs/dbraw/zinc/23/07/83/787230783.db2.gz MZSUPITYMIOOJS-NXEZZACHSA-N 1 0 336.458 -1.067 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001134359972 787230160 /nfs/dbraw/zinc/23/01/60/787230160.db2.gz MZSUPITYMIOOJS-UWVGGRQHSA-N 1 0 336.458 -1.067 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001134359974 787229867 /nfs/dbraw/zinc/22/98/67/787229867.db2.gz MZSUPITYMIOOJS-VHSXEESVSA-N 1 0 336.458 -1.067 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)C(=O)NC(C)(C)C ZINC001134359976 787229958 /nfs/dbraw/zinc/22/99/58/787229958.db2.gz MZSUPITYMIOOJS-ZJUUUORDSA-N 1 0 336.458 -1.067 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134359993 787230967 /nfs/dbraw/zinc/23/09/67/787230967.db2.gz NKKFBMSXLMSHIX-HTQZYQBOSA-N 1 0 337.402 -2.526 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134359997 787230199 /nfs/dbraw/zinc/23/01/99/787230199.db2.gz NKKFBMSXLMSHIX-JGVFFNPUSA-N 1 0 337.402 -2.526 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134359999 787230124 /nfs/dbraw/zinc/23/01/24/787230124.db2.gz NKKFBMSXLMSHIX-SFYZADRCSA-N 1 0 337.402 -2.526 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360001 787230261 /nfs/dbraw/zinc/23/02/61/787230261.db2.gz NKKFBMSXLMSHIX-YUMQZZPRSA-N 1 0 337.402 -2.526 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001134360158 787230716 /nfs/dbraw/zinc/23/07/16/787230716.db2.gz PXZYVPIELWEXEP-GHMZBOCLSA-N 1 0 334.442 -1.361 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001134360192 787230509 /nfs/dbraw/zinc/23/05/09/787230509.db2.gz PXZYVPIELWEXEP-MNOVXSKESA-N 1 0 334.442 -1.361 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001134360193 787230451 /nfs/dbraw/zinc/23/04/51/787230451.db2.gz PXZYVPIELWEXEP-QWRGUYRKSA-N 1 0 334.442 -1.361 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001134360194 787230010 /nfs/dbraw/zinc/23/00/10/787230010.db2.gz PXZYVPIELWEXEP-WDEREUQCSA-N 1 0 334.442 -1.361 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360195 787229798 /nfs/dbraw/zinc/22/97/98/787229798.db2.gz PZBCFNFTPXKYFY-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360196 787230183 /nfs/dbraw/zinc/23/01/83/787230183.db2.gz PZBCFNFTPXKYFY-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360197 787230701 /nfs/dbraw/zinc/23/07/01/787230701.db2.gz PZBCFNFTPXKYFY-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360198 787230855 /nfs/dbraw/zinc/23/08/55/787230855.db2.gz PZBCFNFTPXKYFY-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360361 787230442 /nfs/dbraw/zinc/23/04/42/787230442.db2.gz SRZYMKVIEMHEOU-GHMZBOCLSA-N 1 0 336.458 -1.209 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360362 787230898 /nfs/dbraw/zinc/23/08/98/787230898.db2.gz SRZYMKVIEMHEOU-MNOVXSKESA-N 1 0 336.458 -1.209 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360363 787230352 /nfs/dbraw/zinc/23/03/52/787230352.db2.gz SRZYMKVIEMHEOU-QWRGUYRKSA-N 1 0 336.458 -1.209 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360364 787230148 /nfs/dbraw/zinc/23/01/48/787230148.db2.gz SRZYMKVIEMHEOU-WDEREUQCSA-N 1 0 336.458 -1.209 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001134360395 787229917 /nfs/dbraw/zinc/22/99/17/787229917.db2.gz UDZCRFSARUQWDQ-NEPJUHHUSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001134360396 787230948 /nfs/dbraw/zinc/23/09/48/787230948.db2.gz UDZCRFSARUQWDQ-NWDGAFQWSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001134360397 787230957 /nfs/dbraw/zinc/23/09/57/787230957.db2.gz UDZCRFSARUQWDQ-RYUDHWBXSA-N 1 0 337.442 -1.175 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001134360398 787230811 /nfs/dbraw/zinc/23/08/11/787230811.db2.gz UDZCRFSARUQWDQ-VXGBXAGGSA-N 1 0 337.442 -1.175 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)cc1=O ZINC001134360402 787229842 /nfs/dbraw/zinc/22/98/42/787229842.db2.gz UHBDPZKHKNWDJA-SECBINFHSA-N 1 0 347.393 -1.208 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)cc1=O ZINC001134360403 787230685 /nfs/dbraw/zinc/23/06/85/787230685.db2.gz UHBDPZKHKNWDJA-VIFPVBQESA-N 1 0 347.393 -1.208 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 ZINC001134360413 787230250 /nfs/dbraw/zinc/23/02/50/787230250.db2.gz USMQPIZOIACIEW-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 ZINC001134360454 787230362 /nfs/dbraw/zinc/23/03/62/787230362.db2.gz USMQPIZOIACIEW-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360487 787230464 /nfs/dbraw/zinc/23/04/64/787230464.db2.gz VJQNQHVLTVCUFG-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360488 787230599 /nfs/dbraw/zinc/23/05/99/787230599.db2.gz VJQNQHVLTVCUFG-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360490 787230820 /nfs/dbraw/zinc/23/08/20/787230820.db2.gz VKQLITNGFMOQJP-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360492 787230311 /nfs/dbraw/zinc/23/03/11/787230311.db2.gz VKQLITNGFMOQJP-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360494 787230042 /nfs/dbraw/zinc/23/00/42/787230042.db2.gz VKQLITNGFMOQJP-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360496 787230885 /nfs/dbraw/zinc/23/08/85/787230885.db2.gz VKQLITNGFMOQJP-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001134360511 787230652 /nfs/dbraw/zinc/23/06/52/787230652.db2.gz VWFDQNVUEPPLJM-NXEZZACHSA-N 1 0 334.442 -1.455 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001134360512 787230633 /nfs/dbraw/zinc/23/06/33/787230633.db2.gz VWFDQNVUEPPLJM-UWVGGRQHSA-N 1 0 334.442 -1.455 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001134360526 787230170 /nfs/dbraw/zinc/23/01/70/787230170.db2.gz VWFDQNVUEPPLJM-VHSXEESVSA-N 1 0 334.442 -1.455 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 ZINC001134360527 787229929 /nfs/dbraw/zinc/22/99/29/787229929.db2.gz VWFDQNVUEPPLJM-ZJUUUORDSA-N 1 0 334.442 -1.455 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360614 787230240 /nfs/dbraw/zinc/23/02/40/787230240.db2.gz XBVDYULDWFSWJP-JTQLQIEISA-N 1 0 343.471 -1.545 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360616 787231050 /nfs/dbraw/zinc/23/10/50/787231050.db2.gz XBVDYULDWFSWJP-SNVBAGLBSA-N 1 0 343.471 -1.545 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360696 787231065 /nfs/dbraw/zinc/23/10/65/787231065.db2.gz YTKKWXBSMHIXMI-NEPJUHHUSA-N 1 0 339.458 -1.337 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360702 787230331 /nfs/dbraw/zinc/23/03/31/787230331.db2.gz YTKKWXBSMHIXMI-NWDGAFQWSA-N 1 0 339.458 -1.337 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360703 787230503 /nfs/dbraw/zinc/23/05/03/787230503.db2.gz YTKKWXBSMHIXMI-RYUDHWBXSA-N 1 0 339.458 -1.337 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360704 787230647 /nfs/dbraw/zinc/23/06/47/787230647.db2.gz YTKKWXBSMHIXMI-VXGBXAGGSA-N 1 0 339.458 -1.337 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134360796 787230139 /nfs/dbraw/zinc/23/01/39/787230139.db2.gz PPWZJHLKSLLAHD-NXEZZACHSA-N 1 0 337.446 -1.917 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134360797 787229911 /nfs/dbraw/zinc/22/99/11/787229911.db2.gz PPWZJHLKSLLAHD-UWVGGRQHSA-N 1 0 337.446 -1.917 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134360798 787230838 /nfs/dbraw/zinc/23/08/38/787230838.db2.gz PPWZJHLKSLLAHD-VHSXEESVSA-N 1 0 337.446 -1.917 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C)[NH2+]CC(N)=O ZINC001134360799 787230414 /nfs/dbraw/zinc/23/04/14/787230414.db2.gz PPWZJHLKSLLAHD-ZJUUUORDSA-N 1 0 337.446 -1.917 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C)[NH2+]CCCO ZINC001134361390 787230056 /nfs/dbraw/zinc/23/00/56/787230056.db2.gz XRQKVYCRTADEEZ-NEPJUHHUSA-N 1 0 338.474 -1.020 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134361392 787230991 /nfs/dbraw/zinc/23/09/91/787230991.db2.gz XRQKVYCRTADEEZ-NWDGAFQWSA-N 1 0 338.474 -1.020 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134361394 787230845 /nfs/dbraw/zinc/23/08/45/787230845.db2.gz XRQKVYCRTADEEZ-RYUDHWBXSA-N 1 0 338.474 -1.020 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134361396 787231866 /nfs/dbraw/zinc/23/18/66/787231866.db2.gz XRQKVYCRTADEEZ-VXGBXAGGSA-N 1 0 338.474 -1.020 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134362608 787232323 /nfs/dbraw/zinc/23/23/23/787232323.db2.gz BZECMVTYKMYYNI-SECBINFHSA-N 1 0 334.398 -2.221 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134362609 787231337 /nfs/dbraw/zinc/23/13/37/787231337.db2.gz BZECMVTYKMYYNI-VIFPVBQESA-N 1 0 334.398 -2.221 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134362858 787232028 /nfs/dbraw/zinc/23/20/28/787232028.db2.gz NLMRIOSACQLVLI-GHMZBOCLSA-N 1 0 333.414 -2.113 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134362859 787231465 /nfs/dbraw/zinc/23/14/65/787231465.db2.gz NLMRIOSACQLVLI-MNOVXSKESA-N 1 0 333.414 -2.113 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134362860 787231459 /nfs/dbraw/zinc/23/14/59/787231459.db2.gz NLMRIOSACQLVLI-QWRGUYRKSA-N 1 0 333.414 -2.113 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134362861 787231276 /nfs/dbraw/zinc/23/12/76/787231276.db2.gz NLMRIOSACQLVLI-WDEREUQCSA-N 1 0 333.414 -2.113 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC001134362867 787232221 /nfs/dbraw/zinc/23/22/21/787232221.db2.gz NRKCLVSJYRTKEL-UHFFFAOYSA-N 1 0 334.336 -1.357 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC001134362872 787231397 /nfs/dbraw/zinc/23/13/97/787231397.db2.gz NVCJEMFLOARMCO-UHFFFAOYSA-N 1 0 348.363 -1.097 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001134363050 787232073 /nfs/dbraw/zinc/23/20/73/787232073.db2.gz VGNJFVPPWFFSMA-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001134363051 787231430 /nfs/dbraw/zinc/23/14/30/787231430.db2.gz VGNJFVPPWFFSMA-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CN1C(=O)Cc2ccccc21 ZINC001134365186 787230734 /nfs/dbraw/zinc/23/07/34/787230734.db2.gz GSYJATHSYLLUMS-UHFFFAOYSA-N 1 0 333.348 -1.524 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CN1c2ccccc2CC1=O)C(=O)NC(N)=O ZINC001134365698 787231936 /nfs/dbraw/zinc/23/19/36/787231936.db2.gz VFMPVRFGUIYCRC-JTQLQIEISA-N 1 0 347.375 -1.135 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CN1c2ccccc2CC1=O)C(=O)NC(N)=O ZINC001134365699 787231707 /nfs/dbraw/zinc/23/17/07/787231707.db2.gz VFMPVRFGUIYCRC-SNVBAGLBSA-N 1 0 347.375 -1.135 20 0 EAADRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c(=O)[nH]1 ZINC001134368007 787231596 /nfs/dbraw/zinc/23/15/96/787231596.db2.gz SGEWMHCNHHZJND-UHFFFAOYSA-N 1 0 335.364 -1.627 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1C(=O)Cc2ccccc21 ZINC001134370484 787231537 /nfs/dbraw/zinc/23/15/37/787231537.db2.gz JNNDTTLXKFRSJJ-UHFFFAOYSA-N 1 0 347.375 -1.263 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134379315 787231325 /nfs/dbraw/zinc/23/13/25/787231325.db2.gz AMMRWQWBDLUPBF-GHMZBOCLSA-N 1 0 347.445 -1.563 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]CCN(C)S(C)(=O)=O ZINC001134379316 787232287 /nfs/dbraw/zinc/23/22/87/787232287.db2.gz AMMRWQWBDLUPBF-MNOVXSKESA-N 1 0 347.445 -1.563 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134379317 787232211 /nfs/dbraw/zinc/23/22/11/787232211.db2.gz AMMRWQWBDLUPBF-QWRGUYRKSA-N 1 0 347.445 -1.563 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134379318 787232251 /nfs/dbraw/zinc/23/22/51/787232251.db2.gz AMMRWQWBDLUPBF-WDEREUQCSA-N 1 0 347.445 -1.563 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134379391 787231662 /nfs/dbraw/zinc/23/16/62/787231662.db2.gz BRVQWRTWMIYKBK-NXEZZACHSA-N 1 0 340.388 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134379392 787232023 /nfs/dbraw/zinc/23/20/23/787232023.db2.gz BRVQWRTWMIYKBK-UWVGGRQHSA-N 1 0 340.388 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134379393 787231453 /nfs/dbraw/zinc/23/14/53/787231453.db2.gz BRVQWRTWMIYKBK-VHSXEESVSA-N 1 0 340.388 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134379394 787231994 /nfs/dbraw/zinc/23/19/94/787231994.db2.gz BRVQWRTWMIYKBK-ZJUUUORDSA-N 1 0 340.388 -1.608 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134379423 787232049 /nfs/dbraw/zinc/23/20/49/787232049.db2.gz CAVITLPBRFFRSC-BDAKNGLRSA-N 1 0 326.361 -1.998 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134379424 787231729 /nfs/dbraw/zinc/23/17/29/787231729.db2.gz CAVITLPBRFFRSC-DTWKUNHWSA-N 1 0 326.361 -1.998 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134379425 787232271 /nfs/dbraw/zinc/23/22/71/787232271.db2.gz CAVITLPBRFFRSC-IUCAKERBSA-N 1 0 326.361 -1.998 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134379426 787231749 /nfs/dbraw/zinc/23/17/49/787231749.db2.gz CAVITLPBRFFRSC-RKDXNWHRSA-N 1 0 326.361 -1.998 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134379891 787232002 /nfs/dbraw/zinc/23/20/02/787232002.db2.gz KAHFRLWNNGUYHK-NEPJUHHUSA-N 1 0 341.416 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134379892 787231976 /nfs/dbraw/zinc/23/19/76/787231976.db2.gz KAHFRLWNNGUYHK-NWDGAFQWSA-N 1 0 341.416 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134379893 787231419 /nfs/dbraw/zinc/23/14/19/787231419.db2.gz KAHFRLWNNGUYHK-RYUDHWBXSA-N 1 0 341.416 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134379894 787231742 /nfs/dbraw/zinc/23/17/42/787231742.db2.gz KAHFRLWNNGUYHK-VXGBXAGGSA-N 1 0 341.416 -1.301 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cn1ncnn1 ZINC001134380055 787232177 /nfs/dbraw/zinc/23/21/77/787232177.db2.gz MOPBQOZVMQVMKO-GHMZBOCLSA-N 1 0 347.383 -1.025 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]CC(=O)Nc1cnccn1 ZINC001134380056 787232259 /nfs/dbraw/zinc/23/22/59/787232259.db2.gz MOPBQOZVMQVMKO-MNOVXSKESA-N 1 0 347.383 -1.025 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cn1ncnn1 ZINC001134380057 787232101 /nfs/dbraw/zinc/23/21/01/787232101.db2.gz MOPBQOZVMQVMKO-QWRGUYRKSA-N 1 0 347.383 -1.025 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cn1ncnn1 ZINC001134380058 787232193 /nfs/dbraw/zinc/23/21/93/787232193.db2.gz MOPBQOZVMQVMKO-WDEREUQCSA-N 1 0 347.383 -1.025 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134380243 787231350 /nfs/dbraw/zinc/23/13/50/787231350.db2.gz PHGBEYKWKFZFRH-NEPJUHHUSA-N 1 0 341.416 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134380244 787232079 /nfs/dbraw/zinc/23/20/79/787232079.db2.gz PHGBEYKWKFZFRH-NWDGAFQWSA-N 1 0 341.416 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134380245 787232306 /nfs/dbraw/zinc/23/23/06/787232306.db2.gz PHGBEYKWKFZFRH-RYUDHWBXSA-N 1 0 341.416 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134380246 787232234 /nfs/dbraw/zinc/23/22/34/787232234.db2.gz PHGBEYKWKFZFRH-VXGBXAGGSA-N 1 0 341.416 -1.301 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cn1ncnn1 ZINC001134380447 787231910 /nfs/dbraw/zinc/23/19/10/787231910.db2.gz RYEGKNKQVNQWDB-GHMZBOCLSA-N 1 0 349.399 -1.132 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1nnc2n1CCOC2 ZINC001134380448 787231572 /nfs/dbraw/zinc/23/15/72/787231572.db2.gz RYEGKNKQVNQWDB-MNOVXSKESA-N 1 0 349.399 -1.132 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cn1ncnn1 ZINC001134380449 787232009 /nfs/dbraw/zinc/23/20/09/787232009.db2.gz RYEGKNKQVNQWDB-QWRGUYRKSA-N 1 0 349.399 -1.132 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cn1ncnn1 ZINC001134380450 787232087 /nfs/dbraw/zinc/23/20/87/787232087.db2.gz RYEGKNKQVNQWDB-WDEREUQCSA-N 1 0 349.399 -1.132 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]CC(=O)N1CCOCC1 ZINC001134380819 787232121 /nfs/dbraw/zinc/23/21/21/787232121.db2.gz YBUJRRTZFOZEQM-NEPJUHHUSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)Cn1ncnn1 ZINC001134380820 787232127 /nfs/dbraw/zinc/23/21/27/787232127.db2.gz YBUJRRTZFOZEQM-NWDGAFQWSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)Cn1ncnn1 ZINC001134380821 787231379 /nfs/dbraw/zinc/23/13/79/787231379.db2.gz YBUJRRTZFOZEQM-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)Cn1ncnn1 ZINC001134380822 787231680 /nfs/dbraw/zinc/23/16/80/787231680.db2.gz YBUJRRTZFOZEQM-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134383692 787231358 /nfs/dbraw/zinc/23/13/58/787231358.db2.gz GVRSDCGPZRPSIP-NXEZZACHSA-N 1 0 333.418 -1.905 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134383693 787231961 /nfs/dbraw/zinc/23/19/61/787231961.db2.gz GVRSDCGPZRPSIP-UWVGGRQHSA-N 1 0 333.418 -1.905 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134383694 787231515 /nfs/dbraw/zinc/23/15/15/787231515.db2.gz GVRSDCGPZRPSIP-VHSXEESVSA-N 1 0 333.418 -1.905 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]CCNS(C)(=O)=O ZINC001134383695 787232315 /nfs/dbraw/zinc/23/23/15/787232315.db2.gz GVRSDCGPZRPSIP-ZJUUUORDSA-N 1 0 333.418 -1.905 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134384036 787231950 /nfs/dbraw/zinc/23/19/50/787231950.db2.gz LUIRWVIPIQZKAD-NEPJUHHUSA-N 1 0 341.416 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134384037 787232159 /nfs/dbraw/zinc/23/21/59/787232159.db2.gz LUIRWVIPIQZKAD-NWDGAFQWSA-N 1 0 341.416 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134384038 787231773 /nfs/dbraw/zinc/23/17/73/787231773.db2.gz LUIRWVIPIQZKAD-RYUDHWBXSA-N 1 0 341.416 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134384039 787231966 /nfs/dbraw/zinc/23/19/66/787231966.db2.gz LUIRWVIPIQZKAD-VXGBXAGGSA-N 1 0 341.416 -1.301 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCCS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134384112 787232044 /nfs/dbraw/zinc/23/20/44/787232044.db2.gz NBSTUXJETNFHHL-GHMZBOCLSA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]CCCS(C)(=O)=O ZINC001134384113 787231631 /nfs/dbraw/zinc/23/16/31/787231631.db2.gz NBSTUXJETNFHHL-MNOVXSKESA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCCS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134384114 787232021 /nfs/dbraw/zinc/23/20/21/787232021.db2.gz NBSTUXJETNFHHL-QWRGUYRKSA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCCS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001134384115 787231671 /nfs/dbraw/zinc/23/16/71/787231671.db2.gz NBSTUXJETNFHHL-WDEREUQCSA-N 1 0 332.430 -1.019 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134384344 787232152 /nfs/dbraw/zinc/23/21/52/787232152.db2.gz QVSDBZHMBTZQDU-GHMZBOCLSA-N 1 0 347.445 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134384345 787231523 /nfs/dbraw/zinc/23/15/23/787231523.db2.gz QVSDBZHMBTZQDU-MNOVXSKESA-N 1 0 347.445 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134384346 787232384 /nfs/dbraw/zinc/23/23/84/787232384.db2.gz QVSDBZHMBTZQDU-QWRGUYRKSA-N 1 0 347.445 -1.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134384347 787232167 /nfs/dbraw/zinc/23/21/67/787232167.db2.gz QVSDBZHMBTZQDU-WDEREUQCSA-N 1 0 347.445 -1.515 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)Cn1ncnn1 ZINC001134384364 787231971 /nfs/dbraw/zinc/23/19/71/787231971.db2.gz QYMXAVYJEAKYAO-GHMZBOCLSA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]CCN1C(=O)CCC1=O ZINC001134384365 787232294 /nfs/dbraw/zinc/23/22/94/787232294.db2.gz QYMXAVYJEAKYAO-MNOVXSKESA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)Cn1ncnn1 ZINC001134384366 787231980 /nfs/dbraw/zinc/23/19/80/787231980.db2.gz QYMXAVYJEAKYAO-QWRGUYRKSA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)Cn1ncnn1 ZINC001134384367 787231956 /nfs/dbraw/zinc/23/19/56/787231956.db2.gz QYMXAVYJEAKYAO-WDEREUQCSA-N 1 0 337.384 -1.305 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1ncnn1 ZINC001134384750 787231759 /nfs/dbraw/zinc/23/17/59/787231759.db2.gz ULZIESAXYBJZJC-NXEZZACHSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1ncnn1 ZINC001134384752 787232135 /nfs/dbraw/zinc/23/21/35/787232135.db2.gz ULZIESAXYBJZJC-UWVGGRQHSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1ncnn1 ZINC001134384754 787232376 /nfs/dbraw/zinc/23/23/76/787232376.db2.gz ULZIESAXYBJZJC-VHSXEESVSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]CCN1C(=O)CNC1=O ZINC001134384756 787232071 /nfs/dbraw/zinc/23/20/71/787232071.db2.gz ULZIESAXYBJZJC-ZJUUUORDSA-N 1 0 338.372 -1.902 20 0 EAADRO CC(=O)NCc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)s1 ZINC001134390194 787232783 /nfs/dbraw/zinc/23/27/83/787232783.db2.gz DAKWXFKAWUOEKJ-UHFFFAOYSA-N 1 0 341.393 -1.102 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134393166 787233189 /nfs/dbraw/zinc/23/31/89/787233189.db2.gz LDHWEOIJHNWADV-UHFFFAOYSA-N 1 0 338.412 -1.311 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]cn2)CC1 ZINC001134396616 787233407 /nfs/dbraw/zinc/23/34/07/787233407.db2.gz BBSZQVIZNRBMGY-UHFFFAOYSA-N 1 0 336.396 -1.651 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134396893 787233248 /nfs/dbraw/zinc/23/32/48/787233248.db2.gz HUUBERWPECUMTN-UHFFFAOYSA-N 1 0 347.441 -1.386 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)Cc2c[nH]cn2)C1 ZINC001134397542 787231490 /nfs/dbraw/zinc/23/14/90/787231490.db2.gz QHEGGIAFGRPAOI-LLVKDONJSA-N 1 0 329.426 -1.061 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)Cc2c[nH]cn2)C1 ZINC001134397633 787232341 /nfs/dbraw/zinc/23/23/41/787232341.db2.gz QHEGGIAFGRPAOI-NSHDSACASA-N 1 0 329.426 -1.061 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]cn2)CC1 ZINC001134397732 787231873 /nfs/dbraw/zinc/23/18/73/787231873.db2.gz VNKOMYKNYUWQGZ-UHFFFAOYSA-N 1 0 336.396 -1.618 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398502 787231987 /nfs/dbraw/zinc/23/19/87/787231987.db2.gz BYDODNKHNBDRPI-GHMZBOCLSA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]CCOCCO ZINC001134398503 787231805 /nfs/dbraw/zinc/23/18/05/787231805.db2.gz BYDODNKHNBDRPI-MNOVXSKESA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398504 787231858 /nfs/dbraw/zinc/23/18/58/787231858.db2.gz BYDODNKHNBDRPI-QWRGUYRKSA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398505 787232367 /nfs/dbraw/zinc/23/23/67/787232367.db2.gz BYDODNKHNBDRPI-WDEREUQCSA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398590 787231477 /nfs/dbraw/zinc/23/14/77/787231477.db2.gz DBQARVUJSDFORE-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398591 787231926 /nfs/dbraw/zinc/23/19/26/787231926.db2.gz DBQARVUJSDFORE-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398592 787231554 /nfs/dbraw/zinc/23/15/54/787231554.db2.gz DBQARVUJSDFORE-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cn(C)nn1 ZINC001134398593 787231300 /nfs/dbraw/zinc/23/13/00/787231300.db2.gz DBQARVUJSDFORE-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398738 787232332 /nfs/dbraw/zinc/23/23/32/787232332.db2.gz GIRIOWIHBFWIDF-BDAKNGLRSA-N 1 0 325.373 -2.004 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398739 787231828 /nfs/dbraw/zinc/23/18/28/787231828.db2.gz GIRIOWIHBFWIDF-DTWKUNHWSA-N 1 0 325.373 -2.004 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398740 787232242 /nfs/dbraw/zinc/23/22/42/787232242.db2.gz GIRIOWIHBFWIDF-IUCAKERBSA-N 1 0 325.373 -2.004 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398741 787231442 /nfs/dbraw/zinc/23/14/42/787231442.db2.gz GIRIOWIHBFWIDF-RKDXNWHRSA-N 1 0 325.373 -2.004 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398790 787231991 /nfs/dbraw/zinc/23/19/91/787231991.db2.gz HAJXVVVQOFVPDP-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398791 787231834 /nfs/dbraw/zinc/23/18/34/787231834.db2.gz HAJXVVVQOFVPDP-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398792 787231850 /nfs/dbraw/zinc/23/18/50/787231850.db2.gz HAJXVVVQOFVPDP-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cnnn1C ZINC001134398793 787231824 /nfs/dbraw/zinc/23/18/24/787231824.db2.gz HAJXVVVQOFVPDP-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1ncnn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399106 787231895 /nfs/dbraw/zinc/23/18/95/787231895.db2.gz KGTHKXZWSHJLJG-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399107 787232278 /nfs/dbraw/zinc/23/22/78/787232278.db2.gz KGTHKXZWSHJLJG-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399108 787231783 /nfs/dbraw/zinc/23/17/83/787231783.db2.gz KGTHKXZWSHJLJG-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ncnn1C ZINC001134399109 787231836 /nfs/dbraw/zinc/23/18/36/787231836.db2.gz KGTHKXZWSHJLJG-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cnon1 ZINC001134399154 787232412 /nfs/dbraw/zinc/23/24/12/787232412.db2.gz LECDMPIIZVUPJG-BDAKNGLRSA-N 1 0 336.356 -1.167 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnon1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399155 787231687 /nfs/dbraw/zinc/23/16/87/787231687.db2.gz LECDMPIIZVUPJG-DTWKUNHWSA-N 1 0 336.356 -1.167 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnon1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399156 787232057 /nfs/dbraw/zinc/23/20/57/787232057.db2.gz LECDMPIIZVUPJG-IUCAKERBSA-N 1 0 336.356 -1.167 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnon1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399157 787232033 /nfs/dbraw/zinc/23/20/33/787232033.db2.gz LECDMPIIZVUPJG-RKDXNWHRSA-N 1 0 336.356 -1.167 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn2cnc(C(N)=O)n2)[nH]1 ZINC001134399166 787233598 /nfs/dbraw/zinc/23/35/98/787233598.db2.gz LGCPZTMKUWXRJO-BDAKNGLRSA-N 1 0 349.399 -1.123 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn2cnc(C(N)=O)n2)[nH]1 ZINC001134399167 787233762 /nfs/dbraw/zinc/23/37/62/787233762.db2.gz LGCPZTMKUWXRJO-DTWKUNHWSA-N 1 0 349.399 -1.123 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn2cnc(C(N)=O)n2)[nH]1 ZINC001134399168 787233169 /nfs/dbraw/zinc/23/31/69/787233169.db2.gz LGCPZTMKUWXRJO-IUCAKERBSA-N 1 0 349.399 -1.123 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn2cnc(C(N)=O)n2)[nH]1 ZINC001134399169 787233728 /nfs/dbraw/zinc/23/37/28/787233728.db2.gz LGCPZTMKUWXRJO-RKDXNWHRSA-N 1 0 349.399 -1.123 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399170 787233472 /nfs/dbraw/zinc/23/34/72/787233472.db2.gz LHLODKPPBLRITG-GHMZBOCLSA-N 1 0 349.399 -1.458 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]CCn1cncn1 ZINC001134399171 787233515 /nfs/dbraw/zinc/23/35/15/787233515.db2.gz LHLODKPPBLRITG-MNOVXSKESA-N 1 0 349.399 -1.458 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399172 787233081 /nfs/dbraw/zinc/23/30/81/787233081.db2.gz LHLODKPPBLRITG-QWRGUYRKSA-N 1 0 349.399 -1.458 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399173 787233689 /nfs/dbraw/zinc/23/36/89/787233689.db2.gz LHLODKPPBLRITG-WDEREUQCSA-N 1 0 349.399 -1.458 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134399515 787233966 /nfs/dbraw/zinc/23/39/66/787233966.db2.gz BFVFSMHPCILKGN-UHFFFAOYSA-N 1 0 338.412 -1.357 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134400658 787233695 /nfs/dbraw/zinc/23/36/95/787233695.db2.gz SCLZDZYZGPOZLY-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134400659 787233827 /nfs/dbraw/zinc/23/38/27/787233827.db2.gz SCLZDZYZGPOZLY-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134400660 787233633 /nfs/dbraw/zinc/23/36/33/787233633.db2.gz SCLZDZYZGPOZLY-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cnn(C)n1 ZINC001134400661 787233988 /nfs/dbraw/zinc/23/39/88/787233988.db2.gz SCLZDZYZGPOZLY-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cc1c[nH]cn1)NCC(=O)N1CCCC1 ZINC001134400985 787233095 /nfs/dbraw/zinc/23/30/95/787233095.db2.gz RQIXSFSNIDURDV-UHFFFAOYSA-N 1 0 336.396 -1.603 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]cn2)C1 ZINC001134401025 787234041 /nfs/dbraw/zinc/23/40/41/787234041.db2.gz UOKLOPZOGHZKNK-LLVKDONJSA-N 1 0 336.396 -1.618 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]cn2)C1 ZINC001134401026 787233666 /nfs/dbraw/zinc/23/36/66/787233666.db2.gz UOKLOPZOGHZKNK-NSHDSACASA-N 1 0 336.396 -1.618 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134401317 787233584 /nfs/dbraw/zinc/23/35/84/787233584.db2.gz YHWQAWXYXUNHLI-JTQLQIEISA-N 1 0 340.384 -1.481 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134401318 787233780 /nfs/dbraw/zinc/23/37/80/787233780.db2.gz YHWQAWXYXUNHLI-SNVBAGLBSA-N 1 0 340.384 -1.481 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401514 787233458 /nfs/dbraw/zinc/23/34/58/787233458.db2.gz VKNTVSNVBMVKSQ-NXEZZACHSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401515 787233751 /nfs/dbraw/zinc/23/37/51/787233751.db2.gz VKNTVSNVBMVKSQ-UWVGGRQHSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401516 787233911 /nfs/dbraw/zinc/23/39/11/787233911.db2.gz VKNTVSNVBMVKSQ-VHSXEESVSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]CC(=O)N(C)C ZINC001134401517 787233865 /nfs/dbraw/zinc/23/38/65/787233865.db2.gz VKNTVSNVBMVKSQ-ZJUUUORDSA-N 1 0 339.400 -1.662 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401538 787233235 /nfs/dbraw/zinc/23/32/35/787233235.db2.gz VUKHMDJQNNXYEO-NXEZZACHSA-N 1 0 339.400 -1.614 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401539 787232866 /nfs/dbraw/zinc/23/28/66/787232866.db2.gz VUKHMDJQNNXYEO-UWVGGRQHSA-N 1 0 339.400 -1.614 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401540 787233945 /nfs/dbraw/zinc/23/39/45/787233945.db2.gz VUKHMDJQNNXYEO-VHSXEESVSA-N 1 0 339.400 -1.614 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401541 787233355 /nfs/dbraw/zinc/23/33/55/787233355.db2.gz VUKHMDJQNNXYEO-ZJUUUORDSA-N 1 0 339.400 -1.614 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nncn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401839 787233658 /nfs/dbraw/zinc/23/36/58/787233658.db2.gz XHSDGMJXZOQMSR-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401840 787233952 /nfs/dbraw/zinc/23/39/52/787233952.db2.gz XHSDGMJXZOQMSR-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401841 787233538 /nfs/dbraw/zinc/23/35/38/787233538.db2.gz XHSDGMJXZOQMSR-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1nncn1C ZINC001134401842 787233874 /nfs/dbraw/zinc/23/38/74/787233874.db2.gz XHSDGMJXZOQMSR-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c(C(F)(F)F)n1 ZINC001134407330 787233282 /nfs/dbraw/zinc/23/32/82/787233282.db2.gz YJUADXYPCIYESE-UHFFFAOYSA-N 1 0 336.274 -1.047 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426058 787232775 /nfs/dbraw/zinc/23/27/75/787232775.db2.gz ATOFWGRQZJGOMI-BDAKNGLRSA-N 1 0 348.425 -1.641 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426060 787233613 /nfs/dbraw/zinc/23/36/13/787233613.db2.gz ATOFWGRQZJGOMI-DTWKUNHWSA-N 1 0 348.425 -1.641 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426062 787232724 /nfs/dbraw/zinc/23/27/24/787232724.db2.gz ATOFWGRQZJGOMI-IUCAKERBSA-N 1 0 348.425 -1.641 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426063 787233923 /nfs/dbraw/zinc/23/39/23/787233923.db2.gz ATOFWGRQZJGOMI-RKDXNWHRSA-N 1 0 348.425 -1.641 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134426759 787233622 /nfs/dbraw/zinc/23/36/22/787233622.db2.gz FTLBOFUSHOXHBB-GHMZBOCLSA-N 1 0 346.453 -1.071 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]CCN1CCNC1=O ZINC001134426760 787232756 /nfs/dbraw/zinc/23/27/56/787232756.db2.gz FTLBOFUSHOXHBB-MNOVXSKESA-N 1 0 346.453 -1.071 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134426761 787233016 /nfs/dbraw/zinc/23/30/16/787233016.db2.gz FTLBOFUSHOXHBB-QWRGUYRKSA-N 1 0 346.453 -1.071 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134426762 787233390 /nfs/dbraw/zinc/23/33/90/787233390.db2.gz FTLBOFUSHOXHBB-WDEREUQCSA-N 1 0 346.453 -1.071 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134427231 787233821 /nfs/dbraw/zinc/23/38/21/787233821.db2.gz MOVHCKIRCTWNIX-HTQZYQBOSA-N 1 0 334.398 -1.901 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134427232 787233029 /nfs/dbraw/zinc/23/30/29/787233029.db2.gz MOVHCKIRCTWNIX-JGVFFNPUSA-N 1 0 334.398 -1.901 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]CC(=O)NC(N)=O ZINC001134427233 787233317 /nfs/dbraw/zinc/23/33/17/787233317.db2.gz MOVHCKIRCTWNIX-SFYZADRCSA-N 1 0 334.398 -1.901 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134427234 787232858 /nfs/dbraw/zinc/23/28/58/787232858.db2.gz MOVHCKIRCTWNIX-YUMQZZPRSA-N 1 0 334.398 -1.901 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134427715 787233616 /nfs/dbraw/zinc/23/36/16/787233616.db2.gz VCODLXPHZABXAH-BDAKNGLRSA-N 1 0 345.425 -1.474 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1CS(=O)(=O)C1 ZINC001134427716 787232836 /nfs/dbraw/zinc/23/28/36/787232836.db2.gz VCODLXPHZABXAH-DTWKUNHWSA-N 1 0 345.425 -1.474 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1CS(=O)(=O)C1 ZINC001134427717 787232745 /nfs/dbraw/zinc/23/27/45/787232745.db2.gz VCODLXPHZABXAH-IUCAKERBSA-N 1 0 345.425 -1.474 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1CS(=O)(=O)C1 ZINC001134427718 787233481 /nfs/dbraw/zinc/23/34/81/787233481.db2.gz VCODLXPHZABXAH-RKDXNWHRSA-N 1 0 345.425 -1.474 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134428091 787233396 /nfs/dbraw/zinc/23/33/96/787233396.db2.gz ZKSIUZMJTVCPNV-NXEZZACHSA-N 1 0 340.467 -1.052 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134428092 787232770 /nfs/dbraw/zinc/23/27/70/787232770.db2.gz ZKSIUZMJTVCPNV-UWVGGRQHSA-N 1 0 340.467 -1.052 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001134428093 787233553 /nfs/dbraw/zinc/23/35/53/787233553.db2.gz ZKSIUZMJTVCPNV-VHSXEESVSA-N 1 0 340.467 -1.052 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]CCS(C)(=O)=O ZINC001134428094 787233037 /nfs/dbraw/zinc/23/30/37/787233037.db2.gz ZKSIUZMJTVCPNV-ZJUUUORDSA-N 1 0 340.467 -1.052 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nnnn1C ZINC001134438760 787233713 /nfs/dbraw/zinc/23/37/13/787233713.db2.gz BFNIGSYNJZDJPK-BDAKNGLRSA-N 1 0 330.414 -1.372 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001134438761 787233625 /nfs/dbraw/zinc/23/36/25/787233625.db2.gz BFNIGSYNJZDJPK-DTWKUNHWSA-N 1 0 330.414 -1.372 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001134438762 787233359 /nfs/dbraw/zinc/23/33/59/787233359.db2.gz BFNIGSYNJZDJPK-IUCAKERBSA-N 1 0 330.414 -1.372 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001134438763 787233608 /nfs/dbraw/zinc/23/36/08/787233608.db2.gz BFNIGSYNJZDJPK-RKDXNWHRSA-N 1 0 330.414 -1.372 20 0 EAADRO CC(C)(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001134455179 787235024 /nfs/dbraw/zinc/23/50/24/787235024.db2.gz AASHFGJSCGKMTK-UWVGGRQHSA-N 1 0 339.396 -1.310 20 0 EAADRO CC(C)(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001134455186 787234448 /nfs/dbraw/zinc/23/44/48/787234448.db2.gz AASHFGJSCGKMTK-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455213 787235199 /nfs/dbraw/zinc/23/51/99/787235199.db2.gz AKVWSAPJLNWWEU-OLZOCXBDSA-N 1 0 334.376 -1.106 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455216 787235075 /nfs/dbraw/zinc/23/50/75/787235075.db2.gz AKVWSAPJLNWWEU-STQMWFEESA-N 1 0 334.376 -1.106 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)Nc1ncccn1 ZINC001134455221 787235368 /nfs/dbraw/zinc/23/53/68/787235368.db2.gz ARCPXRVGNWFEKS-BDAKNGLRSA-N 1 0 349.351 -1.893 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)Nc1ncccn1 ZINC001134455223 787235343 /nfs/dbraw/zinc/23/53/43/787235343.db2.gz ARCPXRVGNWFEKS-IUCAKERBSA-N 1 0 349.351 -1.893 20 0 EAADRO O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455260 787234401 /nfs/dbraw/zinc/23/44/01/787234401.db2.gz CHTMKXUIFHBKCL-UWVGGRQHSA-N 1 0 346.409 -1.885 20 0 EAADRO O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455261 787235099 /nfs/dbraw/zinc/23/50/99/787235099.db2.gz CHTMKXUIFHBKCL-ZJUUUORDSA-N 1 0 346.409 -1.885 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455267 787235459 /nfs/dbraw/zinc/23/54/59/787235459.db2.gz CJYLLHPYXLNWKW-VIFPVBQESA-N 1 0 334.398 -1.885 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC001134455295 787235303 /nfs/dbraw/zinc/23/53/03/787235303.db2.gz DMFJLIWXEWOIBT-UWVGGRQHSA-N 1 0 341.368 -2.462 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC001134455296 787235384 /nfs/dbraw/zinc/23/53/84/787235384.db2.gz DMFJLIWXEWOIBT-ZJUUUORDSA-N 1 0 341.368 -2.462 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455514 787235527 /nfs/dbraw/zinc/23/55/27/787235527.db2.gz FAIWLWSIMLJPNK-UWVGGRQHSA-N 1 0 327.385 -1.454 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455515 787234800 /nfs/dbraw/zinc/23/48/00/787234800.db2.gz FAIWLWSIMLJPNK-ZJUUUORDSA-N 1 0 327.385 -1.454 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455527 787234821 /nfs/dbraw/zinc/23/48/21/787234821.db2.gz FRMCYCLTLBBRQK-JTQLQIEISA-N 1 0 329.357 -2.557 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455530 787235363 /nfs/dbraw/zinc/23/53/63/787235363.db2.gz FTJIEBYJERJXBJ-VIFPVBQESA-N 1 0 342.400 -1.612 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CS(C)(=O)=O ZINC001134455534 787234577 /nfs/dbraw/zinc/23/45/77/787234577.db2.gz GEGHHANKPUBUES-BDAKNGLRSA-N 1 0 334.398 -2.029 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CS(C)(=O)=O ZINC001134455535 787235598 /nfs/dbraw/zinc/23/55/98/787235598.db2.gz GEGHHANKPUBUES-IUCAKERBSA-N 1 0 334.398 -2.029 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCNC(=O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455549 787235253 /nfs/dbraw/zinc/23/52/53/787235253.db2.gz GVMFHRZBUODBDC-UWVGGRQHSA-N 1 0 325.369 -1.793 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCNC(=O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455550 787235498 /nfs/dbraw/zinc/23/54/98/787235498.db2.gz GVMFHRZBUODBDC-ZJUUUORDSA-N 1 0 325.369 -1.793 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001134455554 787235317 /nfs/dbraw/zinc/23/53/17/787235317.db2.gz GWNPOXLLGCCZHV-UWVGGRQHSA-N 1 0 325.369 -1.700 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001134455555 787234503 /nfs/dbraw/zinc/23/45/03/787234503.db2.gz GWNPOXLLGCCZHV-ZJUUUORDSA-N 1 0 325.369 -1.700 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455566 787234361 /nfs/dbraw/zinc/23/43/61/787234361.db2.gz HSQFCAMJIGZNFL-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO O=C(NCC[NH2+]CCOC[C@H]1CCCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455568 787235357 /nfs/dbraw/zinc/23/53/57/787235357.db2.gz HUNYIZHNKQUKPS-NEPJUHHUSA-N 1 0 342.396 -1.124 20 0 EAADRO O=C(NCC[NH2+]CCOC[C@@H]1CCCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455569 787235444 /nfs/dbraw/zinc/23/54/44/787235444.db2.gz HUNYIZHNKQUKPS-RYUDHWBXSA-N 1 0 342.396 -1.124 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455575 787234733 /nfs/dbraw/zinc/23/47/33/787234733.db2.gz HXIBNLGOVJZBEX-JTQLQIEISA-N 1 0 348.425 -1.496 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1=O ZINC001134455583 787234534 /nfs/dbraw/zinc/23/45/34/787234534.db2.gz IHMARRMNQCIFBD-VIFPVBQESA-N 1 0 338.320 -1.548 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455589 787234486 /nfs/dbraw/zinc/23/44/86/787234486.db2.gz IOENCJSMYVNWGU-MNOVXSKESA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCN(C2CCC2)C1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455590 787235174 /nfs/dbraw/zinc/23/51/74/787235174.db2.gz IOENCJSMYVNWGU-QWRGUYRKSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(NCC[NH2+]CCCO[C@@H]1CCOC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455591 787234895 /nfs/dbraw/zinc/23/48/95/787234895.db2.gz IOUMFNHFJMDSAI-MNOVXSKESA-N 1 0 328.369 -1.514 20 0 EAADRO O=C(NCC[NH2+]CCCO[C@H]1CCOC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455592 787235479 /nfs/dbraw/zinc/23/54/79/787235479.db2.gz IOUMFNHFJMDSAI-QWRGUYRKSA-N 1 0 328.369 -1.514 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)NC1CCCC1 ZINC001134455596 787235562 /nfs/dbraw/zinc/23/55/62/787235562.db2.gz IUHJAJDUJACMQS-KOLCDFICSA-N 1 0 339.396 -1.262 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)NC1CCCC1 ZINC001134455597 787235272 /nfs/dbraw/zinc/23/52/72/787235272.db2.gz IUHJAJDUJACMQS-ONGXEEELSA-N 1 0 339.396 -1.262 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455774 787234386 /nfs/dbraw/zinc/23/43/86/787234386.db2.gz KETTYMRYYSILRX-JTQLQIEISA-N 1 0 325.369 -1.841 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455838 787234882 /nfs/dbraw/zinc/23/48/82/787234882.db2.gz KSDJELPPTCDWIZ-VIFPVBQESA-N 1 0 349.413 -2.380 20 0 EAADRO O=C(NCC[NH2+]CCOC[C@H]1CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455913 787235243 /nfs/dbraw/zinc/23/52/43/787235243.db2.gz LOCVMWFLBXCIHS-MNOVXSKESA-N 1 0 328.369 -1.514 20 0 EAADRO O=C(NCC[NH2+]CCOC[C@@H]1CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455915 787235464 /nfs/dbraw/zinc/23/54/64/787235464.db2.gz LOCVMWFLBXCIHS-QWRGUYRKSA-N 1 0 328.369 -1.514 20 0 EAADRO O=C(NCC[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455921 787235410 /nfs/dbraw/zinc/23/54/10/787235410.db2.gz LQQNLDNSBJSXJG-JTQLQIEISA-N 1 0 348.363 -1.137 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455927 787236966 /nfs/dbraw/zinc/23/69/66/787236966.db2.gz LTNJFJFSRRNNMI-VIFPVBQESA-N 1 0 328.373 -2.002 20 0 EAADRO O=C(NCC[NH2+]CCCCCn1cncn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455966 787236282 /nfs/dbraw/zinc/23/62/82/787236282.db2.gz MQJAEXWJWGMSGL-NSHDSACASA-N 1 0 337.384 -1.248 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455993 787236304 /nfs/dbraw/zinc/23/63/04/787236304.db2.gz NEBFUOZKYNPYAG-BQBZGAKWSA-N 1 0 328.329 -2.866 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455994 787236710 /nfs/dbraw/zinc/23/67/10/787236710.db2.gz NEBFUOZKYNPYAG-RQJHMYQMSA-N 1 0 328.329 -2.866 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455999 787236070 /nfs/dbraw/zinc/23/60/70/787236070.db2.gz NGISPHGPBXIXDL-VIFPVBQESA-N 1 0 341.393 -1.478 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456008 787237088 /nfs/dbraw/zinc/23/70/88/787237088.db2.gz NSVJCEQJCCQRMM-JTQLQIEISA-N 1 0 327.385 -1.405 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456214 787236126 /nfs/dbraw/zinc/23/61/26/787236126.db2.gz PXTVHSRNWHDBCW-ZETCQYMHSA-N 1 0 326.313 -3.158 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001134456218 787236929 /nfs/dbraw/zinc/23/69/29/787236929.db2.gz QEKOLEWMYGAPGT-VIFPVBQESA-N 1 0 346.409 -1.885 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456219 787237063 /nfs/dbraw/zinc/23/70/63/787237063.db2.gz QFPKHHWOBRJUQQ-UWVGGRQHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456220 787236195 /nfs/dbraw/zinc/23/61/95/787236195.db2.gz QFPKHHWOBRJUQQ-ZJUUUORDSA-N 1 0 327.385 -1.405 20 0 EAADRO O=C(NCC[NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456223 787236801 /nfs/dbraw/zinc/23/68/01/787236801.db2.gz QMKQKCCCIVEQEU-VIFPVBQESA-N 1 0 347.335 -2.174 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456228 787236354 /nfs/dbraw/zinc/23/63/54/787236354.db2.gz QPGYTHNSIKGTRN-UWVGGRQHSA-N 1 0 346.409 -1.885 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456229 787236682 /nfs/dbraw/zinc/23/66/82/787236682.db2.gz QPGYTHNSIKGTRN-ZJUUUORDSA-N 1 0 346.409 -1.885 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001134456246 787236310 /nfs/dbraw/zinc/23/63/10/787236310.db2.gz RIMFKKKHTUAVOG-SCZZXKLOSA-N 1 0 325.369 -1.795 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001134456247 787236774 /nfs/dbraw/zinc/23/67/74/787236774.db2.gz RIMFKKKHTUAVOG-WPRPVWTQSA-N 1 0 325.369 -1.795 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456257 787236937 /nfs/dbraw/zinc/23/69/37/787236937.db2.gz RORJIBFJVILQPY-VIFPVBQESA-N 1 0 347.397 -2.674 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456259 787236333 /nfs/dbraw/zinc/23/63/33/787236333.db2.gz RRFMIGKHRIVBPD-QMMMGPOBSA-N 1 0 340.340 -2.768 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456262 787236988 /nfs/dbraw/zinc/23/69/88/787236988.db2.gz RVCGAPAAHVFYFW-VIFPVBQESA-N 1 0 327.385 -1.547 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456263 787236667 /nfs/dbraw/zinc/23/66/67/787236667.db2.gz RVNINMLPYMSJES-UWVGGRQHSA-N 1 0 332.357 -2.686 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456264 787236886 /nfs/dbraw/zinc/23/68/86/787236886.db2.gz RVNINMLPYMSJES-ZJUUUORDSA-N 1 0 332.357 -2.686 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC[C@@H]1CCOC1 ZINC001134456272 787237116 /nfs/dbraw/zinc/23/71/16/787237116.db2.gz SFIVDABLAYHGJT-UWVGGRQHSA-N 1 0 341.368 -2.557 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC[C@H]1CCOC1 ZINC001134456273 787237145 /nfs/dbraw/zinc/23/71/45/787237145.db2.gz SFIVDABLAYHGJT-ZJUUUORDSA-N 1 0 341.368 -2.557 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456338 787236357 /nfs/dbraw/zinc/23/63/57/787236357.db2.gz SPBVTVNKGPRTEZ-BDAKNGLRSA-N 1 0 332.382 -2.275 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456348 787236247 /nfs/dbraw/zinc/23/62/47/787236247.db2.gz SPBVTVNKGPRTEZ-IUCAKERBSA-N 1 0 332.382 -2.275 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456395 787236892 /nfs/dbraw/zinc/23/68/92/787236892.db2.gz UCJKUPRYQJHRAE-UWVGGRQHSA-N 1 0 341.368 -2.726 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC001134456428 787236567 /nfs/dbraw/zinc/23/65/67/787236567.db2.gz UZAIRGYVJQMBJN-LBPRGKRZSA-N 1 0 347.375 -1.150 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N1CCCCC1 ZINC001134456448 787236721 /nfs/dbraw/zinc/23/67/21/787236721.db2.gz VQZNTSHOOHWUAT-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N1CCCCC1 ZINC001134456449 787236409 /nfs/dbraw/zinc/23/64/09/787236409.db2.gz VQZNTSHOOHWUAT-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456479 787237017 /nfs/dbraw/zinc/23/70/17/787237017.db2.gz WOCXBOLJZNPPBU-MNOVXSKESA-N 1 0 330.385 -1.676 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456480 787236419 /nfs/dbraw/zinc/23/64/19/787236419.db2.gz WOCXBOLJZNPPBU-QWRGUYRKSA-N 1 0 330.385 -1.676 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)S(C)(=O)=O ZINC001134456491 787236953 /nfs/dbraw/zinc/23/69/53/787236953.db2.gz WZMLJIRYFLJDHX-QMMMGPOBSA-N 1 0 335.386 -2.818 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001134456492 787236173 /nfs/dbraw/zinc/23/61/73/787236173.db2.gz XACPSYNAOHVISO-JTQLQIEISA-N 1 0 325.369 -1.699 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1nncs1 ZINC001134456509 787237025 /nfs/dbraw/zinc/23/70/25/787237025.db2.gz XOZGGROQNBXURD-LURJTMIESA-N 1 0 341.353 -2.220 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456510 787236690 /nfs/dbraw/zinc/23/66/90/787236690.db2.gz XPMJYTIRMHJIAN-QMMMGPOBSA-N 1 0 335.386 -2.770 20 0 EAADRO O=C(NCC[NH2+]CCn1cc(Cl)cn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456540 787236135 /nfs/dbraw/zinc/23/61/35/787236135.db2.gz ZFDLDPIGFFYIRN-VIFPVBQESA-N 1 0 328.760 -1.160 20 0 EAADRO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456543 787236065 /nfs/dbraw/zinc/23/60/65/787236065.db2.gz ZMAKWYLPKODMFE-JTQLQIEISA-N 1 0 346.409 -1.885 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456546 787236055 /nfs/dbraw/zinc/23/60/55/787236055.db2.gz ZOLQZNAMKVRSSB-BQBZGAKWSA-N 1 0 326.275 -1.396 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456547 787236243 /nfs/dbraw/zinc/23/62/43/787236243.db2.gz ZOLQZNAMKVRSSB-RQJHMYQMSA-N 1 0 326.275 -1.396 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cccn2nnnc12)[NH2+]CC(=O)NC(N)=O ZINC001134457080 787236543 /nfs/dbraw/zinc/23/65/43/787236543.db2.gz JJFXKIMQBBGTCE-BDAKNGLRSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cccn2nnnc12 ZINC001134457081 787236922 /nfs/dbraw/zinc/23/69/22/787236922.db2.gz JJFXKIMQBBGTCE-DTWKUNHWSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cccn2nnnc12 ZINC001134457082 787236648 /nfs/dbraw/zinc/23/66/48/787236648.db2.gz JJFXKIMQBBGTCE-IUCAKERBSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cccn2nnnc12 ZINC001134457083 787236346 /nfs/dbraw/zinc/23/63/46/787236346.db2.gz JJFXKIMQBBGTCE-RKDXNWHRSA-N 1 0 348.367 -1.194 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460384 787236337 /nfs/dbraw/zinc/23/63/37/787236337.db2.gz AJQZZBNHNFZHGM-VIFPVBQESA-N 1 0 329.357 -2.557 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)N1CCOCC1 ZINC001134460386 787236029 /nfs/dbraw/zinc/23/60/29/787236029.db2.gz APUPZKUMVAJBFP-VIFPVBQESA-N 1 0 327.341 -2.851 20 0 EAADRO NC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC001134460430 787236820 /nfs/dbraw/zinc/23/68/20/787236820.db2.gz AZMGOJUWZMLDEB-NSHDSACASA-N 1 0 333.348 -1.411 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)N1CCCCCC1 ZINC001134460438 787236390 /nfs/dbraw/zinc/23/63/90/787236390.db2.gz BBMLEJCCCWEQAM-NSHDSACASA-N 1 0 339.396 -1.307 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC1CCCC1 ZINC001134460451 787236284 /nfs/dbraw/zinc/23/62/84/787236284.db2.gz BIIFUJWTMYLZJU-JTQLQIEISA-N 1 0 325.369 -1.651 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCC1CCC1 ZINC001134460569 787236154 /nfs/dbraw/zinc/23/61/54/787236154.db2.gz DHFGPDGEAZOHDA-JTQLQIEISA-N 1 0 325.369 -1.793 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC1CCCCC1 ZINC001134460575 787236467 /nfs/dbraw/zinc/23/64/67/787236467.db2.gz DNZADFJOFNGXHP-NSHDSACASA-N 1 0 339.396 -1.261 20 0 EAADRO COc1cc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)sn1 ZINC001134460589 787236293 /nfs/dbraw/zinc/23/62/93/787236293.db2.gz DXSQPEZSVUALHC-QMMMGPOBSA-N 1 0 327.366 -1.044 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(C)n1 ZINC001134460598 787236656 /nfs/dbraw/zinc/23/66/56/787236656.db2.gz FGOPAANKQRZDLX-JTQLQIEISA-N 1 0 336.352 -1.402 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1 ZINC001134460622 787237074 /nfs/dbraw/zinc/23/70/74/787237074.db2.gz GBCQUAFTSCSVFK-LBPRGKRZSA-N 1 0 347.375 -1.047 20 0 EAADRO CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(C)C ZINC001134460765 787237132 /nfs/dbraw/zinc/23/71/32/787237132.db2.gz HLHMORMRMDKNRQ-NSHDSACASA-N 1 0 341.412 -1.064 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCc1ccco1 ZINC001134460800 787236322 /nfs/dbraw/zinc/23/63/22/787236322.db2.gz KDUCLKUTWFBFGP-JTQLQIEISA-N 1 0 337.336 -1.800 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC[C@@H]1CCCO1 ZINC001134460804 787236079 /nfs/dbraw/zinc/23/60/79/787236079.db2.gz KJPKDZMLAFQFOY-UWVGGRQHSA-N 1 0 341.368 -2.415 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC[C@H]1CCCO1 ZINC001134460805 787236163 /nfs/dbraw/zinc/23/61/63/787236163.db2.gz KJPKDZMLAFQFOY-ZJUUUORDSA-N 1 0 341.368 -2.415 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)no1 ZINC001134460830 787236184 /nfs/dbraw/zinc/23/61/84/787236184.db2.gz KWRHZWKMIIZZML-QMMMGPOBSA-N 1 0 338.324 -1.775 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1nccs1 ZINC001134460871 787236206 /nfs/dbraw/zinc/23/62/06/787236206.db2.gz LXUFPFKMCBFXGZ-ZETCQYMHSA-N 1 0 340.365 -1.615 20 0 EAADRO CCCN(CCC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460879 787236733 /nfs/dbraw/zinc/23/67/33/787236733.db2.gz LYIQHZSUOQMANU-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO C[C@@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461058 787236631 /nfs/dbraw/zinc/23/66/31/787236631.db2.gz MVNQQCBDNSCOAR-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461059 787236318 /nfs/dbraw/zinc/23/63/18/787236318.db2.gz MVNQQCBDNSCOAR-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)N1CCNC(=O)C1 ZINC001134461071 787236551 /nfs/dbraw/zinc/23/65/51/787236551.db2.gz NGTHWWWNWLDTHD-QMMMGPOBSA-N 1 0 340.340 -3.751 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461094 787236441 /nfs/dbraw/zinc/23/64/41/787236441.db2.gz OKXMSCNPKWROLZ-VIFPVBQESA-N 1 0 329.357 -2.557 20 0 EAADRO Cn1nnc2cc(C[NH2+]CCNC(=O)[C@@H]3CC(=O)NC(=O)N3)ccc21 ZINC001134461095 787236276 /nfs/dbraw/zinc/23/62/76/787236276.db2.gz OOBFAFKLJJPPAF-NSHDSACASA-N 1 0 345.363 -1.228 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)N1CCCCC1 ZINC001134461097 787236264 /nfs/dbraw/zinc/23/62/64/787236264.db2.gz OPJQTSCSCKEFDR-JTQLQIEISA-N 1 0 325.369 -1.697 20 0 EAADRO CNC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 ZINC001134461107 787236251 /nfs/dbraw/zinc/23/62/51/787236251.db2.gz OYKOYQCUZZKWAU-LBPRGKRZSA-N 1 0 347.375 -1.150 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461117 787236141 /nfs/dbraw/zinc/23/61/41/787236141.db2.gz PKARKAMSRIIZJG-QMMMGPOBSA-N 1 0 342.356 -2.474 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)NC1CC1 ZINC001134461120 787236756 /nfs/dbraw/zinc/23/67/56/787236756.db2.gz PPXJGRXJRVCAMU-QMMMGPOBSA-N 1 0 340.340 -2.722 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461123 787236216 /nfs/dbraw/zinc/23/62/16/787236216.db2.gz PVLWVCBBNPJJLA-ZETCQYMHSA-N 1 0 328.329 -2.864 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)on1 ZINC001134461135 787236313 /nfs/dbraw/zinc/23/63/13/787236313.db2.gz QHBYRRBZSOKHKS-QMMMGPOBSA-N 1 0 338.324 -1.775 20 0 EAADRO CC(C)(C)CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461349 787236401 /nfs/dbraw/zinc/23/64/01/787236401.db2.gz RAWZDFDAZTVQRQ-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001134461375 787232894 /nfs/dbraw/zinc/23/28/94/787232894.db2.gz SIAJADQXIKARDT-MNOVXSKESA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001134461376 787233846 /nfs/dbraw/zinc/23/38/46/787233846.db2.gz SIAJADQXIKARDT-QWRGUYRKSA-N 1 0 339.396 -1.451 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461383 787233443 /nfs/dbraw/zinc/23/34/43/787233443.db2.gz SPVVOHJROCTSIN-VIFPVBQESA-N 1 0 327.385 -1.405 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCC(F)(F)F ZINC001134461384 787232962 /nfs/dbraw/zinc/23/29/62/787232962.db2.gz SQBHMURSZQHWQC-LURJTMIESA-N 1 0 339.274 -2.031 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC1CCOCC1 ZINC001134461414 787235156 /nfs/dbraw/zinc/23/51/56/787235156.db2.gz UTIOOAZYSQZWRI-JTQLQIEISA-N 1 0 341.368 -2.415 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001134461439 787234707 /nfs/dbraw/zinc/23/47/07/787234707.db2.gz VMSNLBXJFQPRSX-NSHDSACASA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCc1cccnc1 ZINC001134461449 787234949 /nfs/dbraw/zinc/23/49/49/787234949.db2.gz VSXBQLOTRIQBNS-NSHDSACASA-N 1 0 348.363 -1.998 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ccccc1 ZINC001134461661 787234785 /nfs/dbraw/zinc/23/47/85/787234785.db2.gz XAGLGYQBEKEULX-NSHDSACASA-N 1 0 333.348 -1.071 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461673 787234618 /nfs/dbraw/zinc/23/46/18/787234618.db2.gz XPYCWNFWVIUBTA-UWVGGRQHSA-N 1 0 327.385 -1.549 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461675 787235124 /nfs/dbraw/zinc/23/51/24/787235124.db2.gz XPYCWNFWVIUBTA-ZJUUUORDSA-N 1 0 327.385 -1.549 20 0 EAADRO CN(C)c1cc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)ccn1 ZINC001134461697 787234660 /nfs/dbraw/zinc/23/46/60/787234660.db2.gz YIUOSODEYACFGR-NSHDSACASA-N 1 0 334.380 -1.049 20 0 EAADRO NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 ZINC001134461709 787234625 /nfs/dbraw/zinc/23/46/25/787234625.db2.gz YQEBWAIUFKSCSF-NSHDSACASA-N 1 0 333.348 -1.411 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461722 787234585 /nfs/dbraw/zinc/23/45/85/787234585.db2.gz ZFQXAWDLWJEXRB-SFYZADRCSA-N 1 0 342.356 -2.476 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461725 787235427 /nfs/dbraw/zinc/23/54/27/787235427.db2.gz ZFQXAWDLWJEXRB-YUMQZZPRSA-N 1 0 342.356 -2.476 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCc1ccccc1 ZINC001134461726 787234331 /nfs/dbraw/zinc/23/43/31/787234331.db2.gz ZHCOHQPYGBBFRP-LBPRGKRZSA-N 1 0 347.375 -1.393 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cnccn1 ZINC001134461745 787235485 /nfs/dbraw/zinc/23/54/85/787235485.db2.gz ZQZWABMISIHMPG-QMMMGPOBSA-N 1 0 335.324 -2.281 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1nccn1 ZINC001134461869 787234524 /nfs/dbraw/zinc/23/45/24/787234524.db2.gz OBOGHBLTPOGTBC-NXEZZACHSA-N 1 0 325.373 -1.393 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nccn1 ZINC001134461870 787235230 /nfs/dbraw/zinc/23/52/30/787235230.db2.gz OBOGHBLTPOGTBC-UWVGGRQHSA-N 1 0 325.373 -1.393 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1nccn1 ZINC001134461871 787234547 /nfs/dbraw/zinc/23/45/47/787234547.db2.gz OBOGHBLTPOGTBC-VHSXEESVSA-N 1 0 325.373 -1.393 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1nccn1 ZINC001134461872 787234764 /nfs/dbraw/zinc/23/47/64/787234764.db2.gz OBOGHBLTPOGTBC-ZJUUUORDSA-N 1 0 325.373 -1.393 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1nccn1 ZINC001134461901 787235052 /nfs/dbraw/zinc/23/50/52/787235052.db2.gz ONQOBUKMJNLVQC-GHMZBOCLSA-N 1 0 339.400 -1.003 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1nccn1 ZINC001134461902 787234517 /nfs/dbraw/zinc/23/45/17/787234517.db2.gz ONQOBUKMJNLVQC-MNOVXSKESA-N 1 0 339.400 -1.003 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nccn1 ZINC001134461903 787235403 /nfs/dbraw/zinc/23/54/03/787235403.db2.gz ONQOBUKMJNLVQC-QWRGUYRKSA-N 1 0 339.400 -1.003 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1nccn1 ZINC001134461904 787234906 /nfs/dbraw/zinc/23/49/06/787234906.db2.gz ONQOBUKMJNLVQC-WDEREUQCSA-N 1 0 339.400 -1.003 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464045 787235605 /nfs/dbraw/zinc/23/56/05/787235605.db2.gz CJPZUTDNQQCXDF-UWVGGRQHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464047 787234430 /nfs/dbraw/zinc/23/44/30/787234430.db2.gz CJPZUTDNQQCXDF-ZJUUUORDSA-N 1 0 327.385 -1.405 20 0 EAADRO O=C(NCC[NH2+]CCOCC(F)(F)F)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464356 787235041 /nfs/dbraw/zinc/23/50/41/787235041.db2.gz GVFVGFGKMUCFRV-ZETCQYMHSA-N 1 0 326.275 -1.131 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464373 787235261 /nfs/dbraw/zinc/23/52/61/787235261.db2.gz HNWSXQTUVONPAQ-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464374 787234848 /nfs/dbraw/zinc/23/48/48/787234848.db2.gz HNWSXQTUVONPAQ-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464420 787234466 /nfs/dbraw/zinc/23/44/66/787234466.db2.gz ISLZKWBTQUGIGI-KOLCDFICSA-N 1 0 341.412 -1.016 20 0 EAADRO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464421 787235554 /nfs/dbraw/zinc/23/55/54/787235554.db2.gz ISLZKWBTQUGIGI-ONGXEEELSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(C)CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464450 787234970 /nfs/dbraw/zinc/23/49/70/787234970.db2.gz JIPYCDRRIDJRSC-MNOVXSKESA-N 1 0 341.412 -1.159 20 0 EAADRO CC(C)CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464452 787235515 /nfs/dbraw/zinc/23/55/15/787235515.db2.gz JIPYCDRRIDJRSC-QWRGUYRKSA-N 1 0 341.412 -1.159 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ccc(O)cc1 ZINC001134464650 787234677 /nfs/dbraw/zinc/23/46/77/787234677.db2.gz KDAUZKQXPDXIME-NSHDSACASA-N 1 0 349.347 -1.365 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464660 787235472 /nfs/dbraw/zinc/23/54/72/787235472.db2.gz KHWGUNBVSLDBCN-QMMMGPOBSA-N 1 0 325.325 -2.561 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464764 787234771 /nfs/dbraw/zinc/23/47/71/787234771.db2.gz MWOWWHPFXSCDSP-UWVGGRQHSA-N 1 0 343.384 -2.169 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464769 787234864 /nfs/dbraw/zinc/23/48/64/787234864.db2.gz MWOWWHPFXSCDSP-ZJUUUORDSA-N 1 0 343.384 -2.169 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)NC(C)(C)C ZINC001134464825 787235004 /nfs/dbraw/zinc/23/50/04/787235004.db2.gz ODKPMUQPEUPREO-BDAKNGLRSA-N 1 0 327.385 -1.407 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)NC(C)(C)C ZINC001134464826 787234693 /nfs/dbraw/zinc/23/46/93/787234693.db2.gz ODKPMUQPEUPREO-IUCAKERBSA-N 1 0 327.385 -1.407 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464985 787234598 /nfs/dbraw/zinc/23/45/98/787234598.db2.gz OKDQUEVKOUKYRR-UWVGGRQHSA-N 1 0 327.385 -1.549 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134464987 787234935 /nfs/dbraw/zinc/23/49/35/787234935.db2.gz OKDQUEVKOUKYRR-ZJUUUORDSA-N 1 0 327.385 -1.549 20 0 EAADRO O=C(NCC[NH2+]CCCN1CCCC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134465009 787234758 /nfs/dbraw/zinc/23/47/58/787234758.db2.gz OVQOCCYPVZKTFP-JTQLQIEISA-N 1 0 325.369 -1.697 20 0 EAADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134465379 787235087 /nfs/dbraw/zinc/23/50/87/787235087.db2.gz VIUGRGQXNGUKAA-UWVGGRQHSA-N 1 0 341.412 -1.016 20 0 EAADRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134465380 787234720 /nfs/dbraw/zinc/23/47/20/787234720.db2.gz VIUGRGQXNGUKAA-ZJUUUORDSA-N 1 0 341.412 -1.016 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1nccn1 ZINC001134465679 787234411 /nfs/dbraw/zinc/23/44/11/787234411.db2.gz DRFQQXFFALFECD-GHMZBOCLSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1nccn1)[NH2+]CCN1C(=O)CNC1=O ZINC001134465680 787235396 /nfs/dbraw/zinc/23/53/96/787235396.db2.gz DRFQQXFFALFECD-MNOVXSKESA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1nccn1 ZINC001134465681 787235147 /nfs/dbraw/zinc/23/51/47/787235147.db2.gz DRFQQXFFALFECD-QWRGUYRKSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1nccn1 ZINC001134465682 787235060 /nfs/dbraw/zinc/23/50/60/787235060.db2.gz DRFQQXFFALFECD-WDEREUQCSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1nccn1 ZINC001134466831 787235438 /nfs/dbraw/zinc/23/54/38/787235438.db2.gz VRPFNDQBPNGRMM-GHMZBOCLSA-N 1 0 332.430 -1.300 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1nccn1)[NH2+]CCNS(C)(=O)=O ZINC001134466832 787234636 /nfs/dbraw/zinc/23/46/36/787234636.db2.gz VRPFNDQBPNGRMM-MNOVXSKESA-N 1 0 332.430 -1.300 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1nccn1 ZINC001134466833 787234994 /nfs/dbraw/zinc/23/49/94/787234994.db2.gz VRPFNDQBPNGRMM-QWRGUYRKSA-N 1 0 332.430 -1.300 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1nccn1 ZINC001134466834 787235375 /nfs/dbraw/zinc/23/53/75/787235375.db2.gz VRPFNDQBPNGRMM-WDEREUQCSA-N 1 0 332.430 -1.300 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1c(F)cccc1NC(N)=O ZINC001134467865 787234613 /nfs/dbraw/zinc/23/46/13/787234613.db2.gz DPAQMZROPSHXGT-UHFFFAOYSA-N 1 0 340.315 -1.169 20 0 EAADRO O=C(Cn1cc(Cl)cn1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134478280 787239816 /nfs/dbraw/zinc/23/98/16/787239816.db2.gz YGQBFWNVZHFDNV-UHFFFAOYSA-N 1 0 342.787 -1.799 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnnn1-c1ccccc1 ZINC001134483573 787236364 /nfs/dbraw/zinc/23/63/64/787236364.db2.gz XBPQVXAKWTVARB-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO O=C(Cn1cc(Cl)cn1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134483591 787236789 /nfs/dbraw/zinc/23/67/89/787236789.db2.gz YCJCFDJIKGSUMD-UHFFFAOYSA-N 1 0 328.760 -1.206 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001134486803 787236612 /nfs/dbraw/zinc/23/66/12/787236612.db2.gz AHFSKBYLGIJSPD-UHFFFAOYSA-N 1 0 330.432 -2.867 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)cn1 ZINC001134486804 787238510 /nfs/dbraw/zinc/23/85/10/787238510.db2.gz AHPMYLQSIBUTBG-UHFFFAOYSA-N 1 0 345.425 -1.308 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C1=O ZINC001134486807 787237953 /nfs/dbraw/zinc/23/79/53/787237953.db2.gz AKCKYPLKAFEIEO-JTQLQIEISA-N 1 0 335.430 -2.291 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C1=O ZINC001134486808 787238418 /nfs/dbraw/zinc/23/84/18/787238418.db2.gz AKCKYPLKAFEIEO-SNVBAGLBSA-N 1 0 335.430 -2.291 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001134486825 787238190 /nfs/dbraw/zinc/23/81/90/787238190.db2.gz BEWLFWSSBIAOGS-MRVPVSSYSA-N 1 0 335.386 -3.107 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001134486826 787238255 /nfs/dbraw/zinc/23/82/55/787238255.db2.gz BEWLFWSSBIAOGS-QMMMGPOBSA-N 1 0 335.386 -3.107 20 0 EAADRO COc1ncccc1C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134486847 787237940 /nfs/dbraw/zinc/23/79/40/787237940.db2.gz CALWBUREADZIQI-UHFFFAOYSA-N 1 0 345.425 -1.308 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001134486856 787237959 /nfs/dbraw/zinc/23/79/59/787237959.db2.gz CHZMNFVUAPYESQ-UHFFFAOYSA-N 1 0 349.457 -2.043 20 0 EAADRO COc1ccnc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)c1 ZINC001134486862 787237608 /nfs/dbraw/zinc/23/76/08/787237608.db2.gz CNDULESDLSQDSI-UHFFFAOYSA-N 1 0 345.425 -1.308 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134486867 787238429 /nfs/dbraw/zinc/23/84/29/787238429.db2.gz CPHGLQXUJAZPOD-UHFFFAOYSA-N 1 0 337.446 -1.996 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCOCC(F)F ZINC001134486888 787238459 /nfs/dbraw/zinc/23/84/59/787238459.db2.gz DNSRTHJUOKXRPL-UHFFFAOYSA-N 1 0 332.373 -1.630 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)c1cnccn1 ZINC001134486889 787237921 /nfs/dbraw/zinc/23/79/21/787237921.db2.gz DONXUMMVGIVHOW-JTQLQIEISA-N 1 0 330.414 -1.361 20 0 EAADRO 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CNC(=O)NC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487605 787238268 /nfs/dbraw/zinc/23/82/68/787238268.db2.gz UVUVWLHLEBTALL-UHFFFAOYSA-N 1 0 338.390 -3.456 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)nn1 ZINC001134487610 787237986 /nfs/dbraw/zinc/23/79/86/787237986.db2.gz VBGMGFPTXKNIJJ-UHFFFAOYSA-N 1 0 346.413 -1.913 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)cn1 ZINC001134487611 787237862 /nfs/dbraw/zinc/23/78/62/787237862.db2.gz VCJUZHFXNISOKY-UHFFFAOYSA-N 1 0 330.414 -1.613 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001134487614 787237785 /nfs/dbraw/zinc/23/77/85/787237785.db2.gz VDPFYQQPMHBGAZ-SECBINFHSA-N 1 0 344.384 -1.488 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001134487615 787238360 /nfs/dbraw/zinc/23/83/60/787238360.db2.gz VDPFYQQPMHBGAZ-VIFPVBQESA-N 1 0 344.384 -1.488 20 0 EAADRO Cc1nnsc1C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487630 787238157 /nfs/dbraw/zinc/23/81/57/787238157.db2.gz VNPZDGRPEWWAEM-UHFFFAOYSA-N 1 0 336.443 -1.552 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001134487632 787237898 /nfs/dbraw/zinc/23/78/98/787237898.db2.gz VZNULHZKQPDYGZ-UHFFFAOYSA-N 1 0 349.457 -1.899 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487648 787239972 /nfs/dbraw/zinc/23/99/72/787239972.db2.gz WJXOCKAHVONADG-UHFFFAOYSA-N 1 0 326.419 -2.249 20 0 EAADRO CCc1nocc1C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487651 787239987 /nfs/dbraw/zinc/23/99/87/787239987.db2.gz WLXCVKCFXRDLMH-UHFFFAOYSA-N 1 0 333.414 -1.161 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCc1ccnn1C ZINC001134487653 787239487 /nfs/dbraw/zinc/23/94/87/787239487.db2.gz WQUUICKKYYEXIL-UHFFFAOYSA-N 1 0 332.430 -1.936 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)n1 ZINC001134487659 787239423 /nfs/dbraw/zinc/23/94/23/787239423.db2.gz WUVRWPYMBDKOCQ-UHFFFAOYSA-N 1 0 348.429 -1.588 20 0 EAADRO Cc1cncc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)c1 ZINC001134487660 787239240 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EAADRO Cc1cnc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)cn1 ZINC001134490977 787240694 /nfs/dbraw/zinc/24/06/94/787240694.db2.gz KXKYZKYULVPXDW-UHFFFAOYSA-N 1 0 330.414 -1.613 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001134490978 787241055 /nfs/dbraw/zinc/24/10/55/787241055.db2.gz LAQUBTCBPKXHSL-UHFFFAOYSA-N 1 0 349.457 -1.899 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C(=O)NC(N)=O ZINC001134490988 787240669 /nfs/dbraw/zinc/24/06/69/787240669.db2.gz LHYZLEDTDSVLLH-SSDOTTSWSA-N 1 0 338.390 -3.328 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C(=O)NC(N)=O ZINC001134490989 787240367 /nfs/dbraw/zinc/24/03/67/787240367.db2.gz LHYZLEDTDSVLLH-ZETCQYMHSA-N 1 0 338.390 -3.328 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491000 787240971 /nfs/dbraw/zinc/24/09/71/787240971.db2.gz LPDYYDBRRXMTDP-UHFFFAOYSA-N 1 0 337.446 -2.140 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134491016 787240548 /nfs/dbraw/zinc/24/05/48/787240548.db2.gz 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787241149 /nfs/dbraw/zinc/24/11/49/787241149.db2.gz PEDRTDJWAFBULY-SNVBAGLBSA-N 1 0 337.446 -1.868 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001134491188 787241132 /nfs/dbraw/zinc/24/11/32/787241132.db2.gz QDKVTBOYLRANLF-UHFFFAOYSA-N 1 0 348.385 -2.285 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001134491236 787240578 /nfs/dbraw/zinc/24/05/78/787240578.db2.gz RUHPUUVIIHUPJR-AAEUAGOBSA-N 1 0 334.442 -1.485 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001134491237 787242233 /nfs/dbraw/zinc/24/22/33/787242233.db2.gz RUHPUUVIIHUPJR-DGCLKSJQSA-N 1 0 334.442 -1.485 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001134491238 787241660 /nfs/dbraw/zinc/24/16/60/787241660.db2.gz RUHPUUVIIHUPJR-WCQYABFASA-N 1 0 334.442 -1.485 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001134491239 787241788 /nfs/dbraw/zinc/24/17/88/787241788.db2.gz RUHPUUVIIHUPJR-YPMHNXCESA-N 1 0 334.442 -1.485 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491258 787241461 /nfs/dbraw/zinc/24/14/61/787241461.db2.gz SIJAFPGLJXXTKE-JTQLQIEISA-N 1 0 337.446 -1.997 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491259 787241871 /nfs/dbraw/zinc/24/18/71/787241871.db2.gz SIJAFPGLJXXTKE-SNVBAGLBSA-N 1 0 337.446 -1.997 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C(=O)NC1CC1 ZINC001134491263 787241938 /nfs/dbraw/zinc/24/19/38/787241938.db2.gz SMOMPPKEXDQDIH-SECBINFHSA-N 1 0 335.430 -2.245 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C(=O)NC1CC1 ZINC001134491264 787241814 /nfs/dbraw/zinc/24/18/14/787241814.db2.gz SMOMPPKEXDQDIH-VIFPVBQESA-N 1 0 335.430 -2.245 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001134491275 787242349 /nfs/dbraw/zinc/24/23/49/787242349.db2.gz SZUZGEOQMPPXJG-LLVKDONJSA-N 1 0 336.458 -1.097 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001134491276 787242326 /nfs/dbraw/zinc/24/23/26/787242326.db2.gz SZUZGEOQMPPXJG-NSHDSACASA-N 1 0 336.458 -1.097 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001134491517 787242163 /nfs/dbraw/zinc/24/21/63/787242163.db2.gz VAGCSAVMDLDOML-JTQLQIEISA-N 1 0 345.429 -2.133 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001134491518 787242177 /nfs/dbraw/zinc/24/21/77/787242177.db2.gz VAGCSAVMDLDOML-SNVBAGLBSA-N 1 0 345.429 -2.133 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001134491596 787241865 /nfs/dbraw/zinc/24/18/65/787241865.db2.gz XMNRHJLNUPHJBI-UHFFFAOYSA-N 1 0 344.459 -2.477 20 0 EAADRO Cc1nccnc1C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491603 787242061 /nfs/dbraw/zinc/24/20/61/787242061.db2.gz XYJWRDWAUTWIDJ-UHFFFAOYSA-N 1 0 330.414 -1.613 20 0 EAADRO C[C@H](CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)n1ccnc1 ZINC001134498297 787242245 /nfs/dbraw/zinc/24/22/45/787242245.db2.gz CDCBMMOPEGYOKI-GFCCVEGCSA-N 1 0 336.396 -1.502 20 0 EAADRO C[C@@H](CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)n1ccnc1 ZINC001134498298 787242360 /nfs/dbraw/zinc/24/23/60/787242360.db2.gz CDCBMMOPEGYOKI-LBPRGKRZSA-N 1 0 336.396 -1.502 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC)CC1=O ZINC001134498523 787242105 /nfs/dbraw/zinc/24/21/05/787242105.db2.gz IVWAXMWKOCKUOV-LLVKDONJSA-N 1 0 341.412 -1.204 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC)CC1=O ZINC001134498524 787242169 /nfs/dbraw/zinc/24/21/69/787242169.db2.gz IVWAXMWKOCKUOV-NSHDSACASA-N 1 0 341.412 -1.204 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)CC1=O ZINC001134498679 787242070 /nfs/dbraw/zinc/24/20/70/787242070.db2.gz MWADWOQVZOEKNK-JTQLQIEISA-N 1 0 327.385 -1.594 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)CC1=O ZINC001134498680 787242093 /nfs/dbraw/zinc/24/20/93/787242093.db2.gz MWADWOQVZOEKNK-SNVBAGLBSA-N 1 0 327.385 -1.594 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1=O ZINC001134499131 787242007 /nfs/dbraw/zinc/24/20/07/787242007.db2.gz XBRFOSJGTKNRLD-CYBMUJFWSA-N 1 0 340.424 -1.191 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1=O ZINC001134499132 787242042 /nfs/dbraw/zinc/24/20/42/787242042.db2.gz XBRFOSJGTKNRLD-ZDUSSCGKSA-N 1 0 340.424 -1.191 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134500077 787241921 /nfs/dbraw/zinc/24/19/21/787241921.db2.gz NFXDGFSKBRRUEU-NXEZZACHSA-N 1 0 347.445 -1.478 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134500078 787242400 /nfs/dbraw/zinc/24/24/00/787242400.db2.gz NFXDGFSKBRRUEU-UWVGGRQHSA-N 1 0 347.445 -1.478 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134500079 787241762 /nfs/dbraw/zinc/24/17/62/787241762.db2.gz NFXDGFSKBRRUEU-VHSXEESVSA-N 1 0 347.445 -1.478 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134500080 787241730 /nfs/dbraw/zinc/24/17/30/787241730.db2.gz NFXDGFSKBRRUEU-ZJUUUORDSA-N 1 0 347.445 -1.478 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500153 787242226 /nfs/dbraw/zinc/24/22/26/787242226.db2.gz OLUZAOVENTZPJX-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500154 787242083 /nfs/dbraw/zinc/24/20/83/787242083.db2.gz OLUZAOVENTZPJX-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500155 787241637 /nfs/dbraw/zinc/24/16/37/787241637.db2.gz OLUZAOVENTZPJX-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500156 787241948 /nfs/dbraw/zinc/24/19/48/787241948.db2.gz OLUZAOVENTZPJX-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134500925 787241794 /nfs/dbraw/zinc/24/17/94/787241794.db2.gz WZYJSQDZKUSXHH-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134500926 787242382 /nfs/dbraw/zinc/24/23/82/787242382.db2.gz WZYJSQDZKUSXHH-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134500927 787242288 /nfs/dbraw/zinc/24/22/88/787242288.db2.gz WZYJSQDZKUSXHH-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134500928 787241696 /nfs/dbraw/zinc/24/16/96/787241696.db2.gz WZYJSQDZKUSXHH-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134501085 787242194 /nfs/dbraw/zinc/24/21/94/787242194.db2.gz YTZFEPAJLMQMCX-NEPJUHHUSA-N 1 0 339.458 -1.193 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134501086 787241914 /nfs/dbraw/zinc/24/19/14/787241914.db2.gz YTZFEPAJLMQMCX-NWDGAFQWSA-N 1 0 339.458 -1.193 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134501088 787242134 /nfs/dbraw/zinc/24/21/34/787242134.db2.gz YTZFEPAJLMQMCX-RYUDHWBXSA-N 1 0 339.458 -1.193 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134501090 787241881 /nfs/dbraw/zinc/24/18/81/787241881.db2.gz YTZFEPAJLMQMCX-VXGBXAGGSA-N 1 0 339.458 -1.193 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)CC1=O ZINC001134502301 787239086 /nfs/dbraw/zinc/23/90/86/787239086.db2.gz ACPMHCWYCJZHHD-GHMZBOCLSA-N 1 0 341.412 -1.205 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)CC1=O ZINC001134502302 787239710 /nfs/dbraw/zinc/23/97/10/787239710.db2.gz ACPMHCWYCJZHHD-MNOVXSKESA-N 1 0 341.412 -1.205 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)CC1=O ZINC001134502303 787239921 /nfs/dbraw/zinc/23/99/21/787239921.db2.gz ACPMHCWYCJZHHD-QWRGUYRKSA-N 1 0 341.412 -1.205 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)CC1=O ZINC001134502304 787239962 /nfs/dbraw/zinc/23/99/62/787239962.db2.gz ACPMHCWYCJZHHD-WDEREUQCSA-N 1 0 341.412 -1.205 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1=O ZINC001134503109 787239599 /nfs/dbraw/zinc/23/95/99/787239599.db2.gz JLQDFUNVUNXZGG-NXEZZACHSA-N 1 0 327.385 -1.466 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1=O ZINC001134503110 787239152 /nfs/dbraw/zinc/23/91/52/787239152.db2.gz JLQDFUNVUNXZGG-UWVGGRQHSA-N 1 0 327.385 -1.466 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1=O ZINC001134503111 787239954 /nfs/dbraw/zinc/23/99/54/787239954.db2.gz JLQDFUNVUNXZGG-VHSXEESVSA-N 1 0 327.385 -1.466 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1=O ZINC001134503112 787239003 /nfs/dbraw/zinc/23/90/03/787239003.db2.gz JLQDFUNVUNXZGG-ZJUUUORDSA-N 1 0 327.385 -1.466 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001134503513 787239876 /nfs/dbraw/zinc/23/98/76/787239876.db2.gz OGAZKUCLSQIFLZ-LLVKDONJSA-N 1 0 339.396 -1.498 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001134503514 787239667 /nfs/dbraw/zinc/23/96/67/787239667.db2.gz OGAZKUCLSQIFLZ-NSHDSACASA-N 1 0 339.396 -1.498 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC1=O ZINC001134503593 787239369 /nfs/dbraw/zinc/23/93/69/787239369.db2.gz QDNZAQLNFVLYLC-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC1=O ZINC001134503594 787239438 /nfs/dbraw/zinc/23/94/38/787239438.db2.gz QDNZAQLNFVLYLC-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001134503622 787239653 /nfs/dbraw/zinc/23/96/53/787239653.db2.gz RINJOZHGNKBBKJ-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001134503623 787239167 /nfs/dbraw/zinc/23/91/67/787239167.db2.gz RINJOZHGNKBBKJ-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)CC1=O ZINC001134503624 787239842 /nfs/dbraw/zinc/23/98/42/787239842.db2.gz RPNDRVQKNGPAKO-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)CC1=O ZINC001134503625 787240023 /nfs/dbraw/zinc/24/00/23/787240023.db2.gz RPNDRVQKNGPAKO-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)CC1=O ZINC001134503684 787239125 /nfs/dbraw/zinc/23/91/25/787239125.db2.gz SWWMTUIUKWNBGX-KBPBESRZSA-N 1 0 345.440 -1.025 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)CC1=O ZINC001134503685 787239914 /nfs/dbraw/zinc/23/99/14/787239914.db2.gz SWWMTUIUKWNBGX-KGLIPLIRSA-N 1 0 345.440 -1.025 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)CC1=O ZINC001134503686 787239704 /nfs/dbraw/zinc/23/97/04/787239704.db2.gz SWWMTUIUKWNBGX-UONOGXRCSA-N 1 0 345.440 -1.025 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)CC1=O ZINC001134503687 787238975 /nfs/dbraw/zinc/23/89/75/787238975.db2.gz SWWMTUIUKWNBGX-ZIAGYGMSSA-N 1 0 345.440 -1.025 20 0 EAADRO CCCN1C[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)CC1=O ZINC001134503829 787239416 /nfs/dbraw/zinc/23/94/16/787239416.db2.gz WSVVUTRMYKWRPF-GFCCVEGCSA-N 1 0 325.413 -1.024 20 0 EAADRO CCCN1C[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)CC1=O ZINC001134503830 787239932 /nfs/dbraw/zinc/23/99/32/787239932.db2.gz WSVVUTRMYKWRPF-LBPRGKRZSA-N 1 0 325.413 -1.024 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CCNS(C)(=O)=O ZINC001134503993 787239110 /nfs/dbraw/zinc/23/91/10/787239110.db2.gz APGSWBPEAGNVBE-NXEZZACHSA-N 1 0 347.445 -1.478 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CCNS(C)(=O)=O ZINC001134503994 787239735 /nfs/dbraw/zinc/23/97/35/787239735.db2.gz APGSWBPEAGNVBE-UWVGGRQHSA-N 1 0 347.445 -1.478 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CCNS(C)(=O)=O ZINC001134503995 787239332 /nfs/dbraw/zinc/23/93/32/787239332.db2.gz APGSWBPEAGNVBE-VHSXEESVSA-N 1 0 347.445 -1.478 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001134503996 787239980 /nfs/dbraw/zinc/23/99/80/787239980.db2.gz APGSWBPEAGNVBE-ZJUUUORDSA-N 1 0 347.445 -1.478 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134504637 787239346 /nfs/dbraw/zinc/23/93/46/787239346.db2.gz JYXCOWDXMOGTDD-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134504638 787239688 /nfs/dbraw/zinc/23/96/88/787239688.db2.gz JYXCOWDXMOGTDD-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134504639 787240029 /nfs/dbraw/zinc/24/00/29/787240029.db2.gz JYXCOWDXMOGTDD-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134504640 787239942 /nfs/dbraw/zinc/23/99/42/787239942.db2.gz JYXCOWDXMOGTDD-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CCNS(C)(=O)=O ZINC001134504961 787239937 /nfs/dbraw/zinc/23/99/37/787239937.db2.gz LNXIMECODFVCNS-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNS(C)(=O)=O)[NH2+]CC(=O)N(C)C ZINC001134504962 787239118 /nfs/dbraw/zinc/23/91/18/787239118.db2.gz LNXIMECODFVCNS-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CCNS(C)(=O)=O ZINC001134504963 787239130 /nfs/dbraw/zinc/23/91/30/787239130.db2.gz LNXIMECODFVCNS-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CCNS(C)(=O)=O ZINC001134504964 787239630 /nfs/dbraw/zinc/23/96/30/787239630.db2.gz LNXIMECODFVCNS-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNS(C)(=O)=O)[NH2+]CCOCCO ZINC001134505874 787239252 /nfs/dbraw/zinc/23/92/52/787239252.db2.gz SAHGHWQRCXNGJZ-NEPJUHHUSA-N 1 0 339.458 -1.193 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CCNS(C)(=O)=O ZINC001134505876 787239975 /nfs/dbraw/zinc/23/99/75/787239975.db2.gz SAHGHWQRCXNGJZ-NWDGAFQWSA-N 1 0 339.458 -1.193 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CCNS(C)(=O)=O ZINC001134505877 787239697 /nfs/dbraw/zinc/23/96/97/787239697.db2.gz SAHGHWQRCXNGJZ-RYUDHWBXSA-N 1 0 339.458 -1.193 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CCNS(C)(=O)=O ZINC001134505879 787239677 /nfs/dbraw/zinc/23/96/77/787239677.db2.gz SAHGHWQRCXNGJZ-VXGBXAGGSA-N 1 0 339.458 -1.193 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001134508507 787239911 /nfs/dbraw/zinc/23/99/11/787239911.db2.gz DATUMEMJEPDZCW-NXEZZACHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001134508508 787239547 /nfs/dbraw/zinc/23/95/47/787239547.db2.gz DATUMEMJEPDZCW-UWVGGRQHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001134508509 787239530 /nfs/dbraw/zinc/23/95/30/787239530.db2.gz DATUMEMJEPDZCW-VHSXEESVSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN(C)C(=O)C1CC1)[NH2+]CC(=O)NC(N)=O ZINC001134508510 787239728 /nfs/dbraw/zinc/23/97/28/787239728.db2.gz DATUMEMJEPDZCW-ZJUUUORDSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)[NH2+]CCOCCO ZINC001134508707 787239232 /nfs/dbraw/zinc/23/92/32/787239232.db2.gz GTHVPDKEVGYCNW-NEPJUHHUSA-N 1 0 339.458 -1.240 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN(C)S(C)(=O)=O ZINC001134508708 787239323 /nfs/dbraw/zinc/23/93/23/787239323.db2.gz GTHVPDKEVGYCNW-NWDGAFQWSA-N 1 0 339.458 -1.240 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN(C)S(C)(=O)=O ZINC001134508709 787239522 /nfs/dbraw/zinc/23/95/22/787239522.db2.gz GTHVPDKEVGYCNW-RYUDHWBXSA-N 1 0 339.458 -1.240 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CN(C)S(C)(=O)=O ZINC001134508710 787239887 /nfs/dbraw/zinc/23/98/87/787239887.db2.gz GTHVPDKEVGYCNW-VXGBXAGGSA-N 1 0 339.458 -1.240 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134508815 787241007 /nfs/dbraw/zinc/24/10/07/787241007.db2.gz IQHXOZPUISCAAD-CHWSQXEVSA-N 1 0 333.429 -1.027 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134508816 787240188 /nfs/dbraw/zinc/24/01/88/787240188.db2.gz IQHXOZPUISCAAD-OLZOCXBDSA-N 1 0 333.429 -1.027 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134508817 787241128 /nfs/dbraw/zinc/24/11/28/787241128.db2.gz IQHXOZPUISCAAD-QWHCGFSZSA-N 1 0 333.429 -1.027 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134508818 787241070 /nfs/dbraw/zinc/24/10/70/787241070.db2.gz IQHXOZPUISCAAD-STQMWFEESA-N 1 0 333.429 -1.027 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)[NH2+]CC(=O)N1CCC1 ZINC001134508851 787240470 /nfs/dbraw/zinc/24/04/70/787240470.db2.gz JCVMZFJGQRXOBK-NEPJUHHUSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)S(C)(=O)=O ZINC001134508852 787240780 /nfs/dbraw/zinc/24/07/80/787240780.db2.gz JCVMZFJGQRXOBK-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)S(C)(=O)=O ZINC001134508853 787241145 /nfs/dbraw/zinc/24/11/45/787241145.db2.gz JCVMZFJGQRXOBK-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)S(C)(=O)=O ZINC001134508854 787240564 /nfs/dbraw/zinc/24/05/64/787240564.db2.gz JCVMZFJGQRXOBK-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509035 787240859 /nfs/dbraw/zinc/24/08/59/787240859.db2.gz LYPFKMZLBGPUON-NXEZZACHSA-N 1 0 347.445 -1.526 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509036 787240196 /nfs/dbraw/zinc/24/01/96/787240196.db2.gz LYPFKMZLBGPUON-UWVGGRQHSA-N 1 0 347.445 -1.526 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509037 787240959 /nfs/dbraw/zinc/24/09/59/787240959.db2.gz LYPFKMZLBGPUON-VHSXEESVSA-N 1 0 347.445 -1.526 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001134509038 787241120 /nfs/dbraw/zinc/24/11/20/787241120.db2.gz LYPFKMZLBGPUON-ZJUUUORDSA-N 1 0 347.445 -1.526 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509091 787240210 /nfs/dbraw/zinc/24/02/10/787240210.db2.gz MOFGJTXXXLGXHF-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509092 787240919 /nfs/dbraw/zinc/24/09/19/787240919.db2.gz MOFGJTXXXLGXHF-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509093 787240775 /nfs/dbraw/zinc/24/07/75/787240775.db2.gz MOFGJTXXXLGXHF-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509094 787241013 /nfs/dbraw/zinc/24/10/13/787241013.db2.gz MOFGJTXXXLGXHF-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134509111 787241175 /nfs/dbraw/zinc/24/11/75/787241175.db2.gz NESCAKBJTULSEX-GHMZBOCLSA-N 1 0 341.416 -1.312 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134509112 787241167 /nfs/dbraw/zinc/24/11/67/787241167.db2.gz NESCAKBJTULSEX-MNOVXSKESA-N 1 0 341.416 -1.312 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134509113 787240530 /nfs/dbraw/zinc/24/05/30/787240530.db2.gz NESCAKBJTULSEX-QWRGUYRKSA-N 1 0 341.416 -1.312 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134509114 787240478 /nfs/dbraw/zinc/24/04/78/787240478.db2.gz NESCAKBJTULSEX-WDEREUQCSA-N 1 0 341.416 -1.312 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134509535 787240251 /nfs/dbraw/zinc/24/02/51/787240251.db2.gz UQYGQQKOHYJVFA-NXEZZACHSA-N 1 0 345.400 -1.841 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134509536 787240311 /nfs/dbraw/zinc/24/03/11/787240311.db2.gz UQYGQQKOHYJVFA-UWVGGRQHSA-N 1 0 345.400 -1.841 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134509537 787241021 /nfs/dbraw/zinc/24/10/21/787241021.db2.gz UQYGQQKOHYJVFA-VHSXEESVSA-N 1 0 345.400 -1.841 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134509538 787240398 /nfs/dbraw/zinc/24/03/98/787240398.db2.gz UQYGQQKOHYJVFA-ZJUUUORDSA-N 1 0 345.400 -1.841 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509819 787240228 /nfs/dbraw/zinc/24/02/28/787240228.db2.gz 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COCC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134518253 787241492 /nfs/dbraw/zinc/24/14/92/787241492.db2.gz CBNYXXUBFKJKAI-NXEZZACHSA-N 1 0 345.400 -1.793 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134518254 787242212 /nfs/dbraw/zinc/24/22/12/787242212.db2.gz CBNYXXUBFKJKAI-UWVGGRQHSA-N 1 0 345.400 -1.793 20 0 EAADRO COCC(=O)NCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134518255 787241856 /nfs/dbraw/zinc/24/18/56/787241856.db2.gz CBNYXXUBFKJKAI-VHSXEESVSA-N 1 0 345.400 -1.793 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134518256 787241932 /nfs/dbraw/zinc/24/19/32/787241932.db2.gz CBNYXXUBFKJKAI-ZJUUUORDSA-N 1 0 345.400 -1.793 20 0 EAADRO COCC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134521034 787242433 /nfs/dbraw/zinc/24/24/33/787242433.db2.gz VLHWDORDDTUOHY-GHMZBOCLSA-N 1 0 341.416 -1.264 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134521035 787242217 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EAADRO CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001134524660 787243691 /nfs/dbraw/zinc/24/36/91/787243691.db2.gz PCWPNUNURPOIJC-VXGBXAGGSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001134524941 787243143 /nfs/dbraw/zinc/24/31/43/787243143.db2.gz UFOFEASBYPDCKV-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001134524942 787243309 /nfs/dbraw/zinc/24/33/09/787243309.db2.gz UFOFEASBYPDCKV-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001134524943 787243835 /nfs/dbraw/zinc/24/38/35/787243835.db2.gz UFOFEASBYPDCKV-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001134524944 787243423 /nfs/dbraw/zinc/24/34/23/787243423.db2.gz UFOFEASBYPDCKV-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001134527520 787243910 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C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134540484 787243772 /nfs/dbraw/zinc/24/37/72/787243772.db2.gz KFFOVNIAMAULNV-NXEZZACHSA-N 1 0 325.369 -2.095 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134540485 787243120 /nfs/dbraw/zinc/24/31/20/787243120.db2.gz KFFOVNIAMAULNV-UWVGGRQHSA-N 1 0 325.369 -2.095 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134540486 787243011 /nfs/dbraw/zinc/24/30/11/787243011.db2.gz KFFOVNIAMAULNV-VHSXEESVSA-N 1 0 325.369 -2.095 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O)[NH2+]CC(N)=O ZINC001134540487 787243695 /nfs/dbraw/zinc/24/36/95/787243695.db2.gz KFFOVNIAMAULNV-ZJUUUORDSA-N 1 0 325.369 -2.095 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1ccc(C)cc1=O ZINC001134540554 787243939 /nfs/dbraw/zinc/24/39/39/787243939.db2.gz RGWVMVCHNLFXRR-UHFFFAOYSA-N 1 0 337.380 -1.292 20 0 EAADRO Cc1ccn(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c(=O)c1 ZINC001134540571 787243277 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CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541498 787243244 /nfs/dbraw/zinc/24/32/44/787243244.db2.gz RQJJJNXEJKFFAG-MNOVXSKESA-N 1 0 339.396 -1.834 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541499 787243485 /nfs/dbraw/zinc/24/34/85/787243485.db2.gz RQJJJNXEJKFFAG-QWRGUYRKSA-N 1 0 339.396 -1.834 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541500 787242886 /nfs/dbraw/zinc/24/28/86/787242886.db2.gz RQJJJNXEJKFFAG-WDEREUQCSA-N 1 0 339.396 -1.834 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O)[NH2+]CCCO ZINC001134541589 787243223 /nfs/dbraw/zinc/24/32/23/787243223.db2.gz UHXWERBGVKJKRX-NEPJUHHUSA-N 1 0 326.397 -1.198 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541590 787243778 /nfs/dbraw/zinc/24/37/78/787243778.db2.gz UHXWERBGVKJKRX-NWDGAFQWSA-N 1 0 326.397 -1.198 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541591 787242954 /nfs/dbraw/zinc/24/29/54/787242954.db2.gz UHXWERBGVKJKRX-RYUDHWBXSA-N 1 0 326.397 -1.198 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541592 787242918 /nfs/dbraw/zinc/24/29/18/787242918.db2.gz UHXWERBGVKJKRX-VXGBXAGGSA-N 1 0 326.397 -1.198 20 0 EAADRO Cc1ccn(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)c(=O)c1 ZINC001134543870 787243032 /nfs/dbraw/zinc/24/30/32/787243032.db2.gz LZAUBGYIICMUNS-UHFFFAOYSA-N 1 0 349.391 -1.196 20 0 EAADRO Cc1ccn(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c(=O)c1 ZINC001134543948 787243592 /nfs/dbraw/zinc/24/35/92/787243592.db2.gz OQCVXMVOVOXVIB-UHFFFAOYSA-N 1 0 335.364 -1.586 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1ccc(C)cc1=O ZINC001134544038 787243232 /nfs/dbraw/zinc/24/32/32/787243232.db2.gz PTAKYFBISASVEO-UHFFFAOYSA-N 1 0 344.437 -1.198 20 0 EAADRO Cc1ccn(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)c(=O)c1 ZINC001134544244 787243180 /nfs/dbraw/zinc/24/31/80/787243180.db2.gz VXAQSYJYHVFCQW-UHFFFAOYSA-N 1 0 330.410 -1.588 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn2cc(C)cnc12 ZINC001134546501 787243195 /nfs/dbraw/zinc/24/31/95/787243195.db2.gz IOKHEXOSUZDSKE-UHFFFAOYSA-N 1 0 333.352 -1.187 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134552971 787243661 /nfs/dbraw/zinc/24/36/61/787243661.db2.gz JILYQMXWPSNHAN-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134552972 787244492 /nfs/dbraw/zinc/24/44/92/787244492.db2.gz JILYQMXWPSNHAN-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134552973 787244767 /nfs/dbraw/zinc/24/47/67/787244767.db2.gz JILYQMXWPSNHAN-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134552974 787244773 /nfs/dbraw/zinc/24/47/73/787244773.db2.gz JILYQMXWPSNHAN-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCCS1(=O)=O)[NH2+]CC(=O)N(C)C ZINC001134553063 787245392 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EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134643970 787248180 /nfs/dbraw/zinc/24/81/80/787248180.db2.gz IGBRPQVGHICCAJ-VHSXEESVSA-N 1 0 348.425 -1.639 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134643972 787248442 /nfs/dbraw/zinc/24/84/42/787248442.db2.gz IGBRPQVGHICCAJ-ZJUUUORDSA-N 1 0 348.425 -1.639 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134643977 787248147 /nfs/dbraw/zinc/24/81/47/787248147.db2.gz IJCMKBXYFFVGIP-JTQLQIEISA-N 1 0 346.409 -1.931 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134643990 787248319 /nfs/dbraw/zinc/24/83/19/787248319.db2.gz IJCMKBXYFFVGIP-SNVBAGLBSA-N 1 0 346.409 -1.931 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134644000 787248187 /nfs/dbraw/zinc/24/81/87/787248187.db2.gz IKXAAMGKNKTXBW-JTQLQIEISA-N 1 0 326.440 -1.438 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134644009 787247620 /nfs/dbraw/zinc/24/76/20/787247620.db2.gz IKXAAMGKNKTXBW-SNVBAGLBSA-N 1 0 326.440 -1.438 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134644144 787248499 /nfs/dbraw/zinc/24/84/99/787248499.db2.gz LFTVVISEBQIWMY-GFCCVEGCSA-N 1 0 349.453 -1.330 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134644145 787247792 /nfs/dbraw/zinc/24/77/92/787247792.db2.gz LFTVVISEBQIWMY-LBPRGKRZSA-N 1 0 349.453 -1.330 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134644232 787248184 /nfs/dbraw/zinc/24/81/84/787248184.db2.gz MXYMTXVIJZTNEX-JTQLQIEISA-N 1 0 348.425 -1.637 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134644233 787248427 /nfs/dbraw/zinc/24/84/27/787248427.db2.gz MXYMTXVIJZTNEX-SNVBAGLBSA-N 1 0 348.425 -1.637 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134644698 787248060 /nfs/dbraw/zinc/24/80/60/787248060.db2.gz SLYBFTLCAMSNIV-LLVKDONJSA-N 1 0 340.467 -1.048 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134644699 787248308 /nfs/dbraw/zinc/24/83/08/787248308.db2.gz SLYBFTLCAMSNIV-NSHDSACASA-N 1 0 340.467 -1.048 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134651035 787248303 /nfs/dbraw/zinc/24/83/03/787248303.db2.gz AVHGRYILEHIIHE-SECBINFHSA-N 1 0 348.425 -1.639 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134651036 787247877 /nfs/dbraw/zinc/24/78/77/787247877.db2.gz AVHGRYILEHIIHE-VIFPVBQESA-N 1 0 348.425 -1.639 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C1CCS(=O)(=O)CC1)C(=O)NC(N)=O ZINC001134651269 787248456 /nfs/dbraw/zinc/24/84/56/787248456.db2.gz IGSHKYDDOLKVMS-MRVPVSSYSA-N 1 0 334.398 -1.900 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1CCS(=O)(=O)CC1)C(=O)NC(N)=O ZINC001134651270 787248404 /nfs/dbraw/zinc/24/84/04/787248404.db2.gz IGSHKYDDOLKVMS-QMMMGPOBSA-N 1 0 334.398 -1.900 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134651390 787248323 /nfs/dbraw/zinc/24/83/23/787248323.db2.gz LJABBTQWYBCXRC-UHFFFAOYSA-N 1 0 341.455 -1.934 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134651553 787248048 /nfs/dbraw/zinc/24/80/48/787248048.db2.gz OAGCUPUSYQHCKE-UHFFFAOYSA-N 1 0 340.467 -1.048 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)C1CCS(=O)(=O)CC1 ZINC001134651709 787248570 /nfs/dbraw/zinc/24/85/70/787248570.db2.gz QDOQAFJHKSOQTD-CYBMUJFWSA-N 1 0 344.437 -1.225 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)C1CCS(=O)(=O)CC1 ZINC001134651718 787248240 /nfs/dbraw/zinc/24/82/40/787248240.db2.gz QDOQAFJHKSOQTD-ZDUSSCGKSA-N 1 0 344.437 -1.225 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)C1CCS(=O)(=O)CC1 ZINC001134651782 787247597 /nfs/dbraw/zinc/24/75/97/787247597.db2.gz QYUDIXQDRBWLCL-UHFFFAOYSA-N 1 0 345.421 -1.334 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)C1CCS(=O)(=O)CC1 ZINC001134651954 787248137 /nfs/dbraw/zinc/24/81/37/787248137.db2.gz UMDVGBKAEFLAKJ-UHFFFAOYSA-N 1 0 346.409 -1.931 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)COC[C@H]2CCOC2)CCO1 ZINC001134655318 787248073 /nfs/dbraw/zinc/24/80/73/787248073.db2.gz BVYJFDDZUXKUCY-KBPBESRZSA-N 1 0 343.424 -1.007 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)COC[C@H]2CCOC2)CCO1 ZINC001134655319 787249827 /nfs/dbraw/zinc/24/98/27/787249827.db2.gz BVYJFDDZUXKUCY-KGLIPLIRSA-N 1 0 343.424 -1.007 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)COC[C@@H]2CCOC2)CCO1 ZINC001134655320 787249336 /nfs/dbraw/zinc/24/93/36/787249336.db2.gz BVYJFDDZUXKUCY-UONOGXRCSA-N 1 0 343.424 -1.007 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)COC[C@@H]2CCOC2)CCO1 ZINC001134655321 787249872 /nfs/dbraw/zinc/24/98/72/787249872.db2.gz BVYJFDDZUXKUCY-ZIAGYGMSSA-N 1 0 343.424 -1.007 20 0 EAADRO O=C(C[NH2+]CCNC(=O)COC[C@H]1CCOC1)NC[C@@H]1CCOC1 ZINC001134655446 787249143 /nfs/dbraw/zinc/24/91/43/787249143.db2.gz FOKYIXOMJSZTRD-KBPBESRZSA-N 1 0 343.424 -1.102 20 0 EAADRO O=C(C[NH2+]CCNC(=O)COC[C@H]1CCOC1)NC[C@H]1CCOC1 ZINC001134655447 787249382 /nfs/dbraw/zinc/24/93/82/787249382.db2.gz FOKYIXOMJSZTRD-KGLIPLIRSA-N 1 0 343.424 -1.102 20 0 EAADRO O=C(C[NH2+]CCNC(=O)COC[C@@H]1CCOC1)NC[C@@H]1CCOC1 ZINC001134655448 787249057 /nfs/dbraw/zinc/24/90/57/787249057.db2.gz FOKYIXOMJSZTRD-UONOGXRCSA-N 1 0 343.424 -1.102 20 0 EAADRO O=C(C[NH2+]CCNC(=O)COC[C@@H]1CCOC1)NC[C@H]1CCOC1 ZINC001134655449 787249460 /nfs/dbraw/zinc/24/94/60/787249460.db2.gz FOKYIXOMJSZTRD-ZIAGYGMSSA-N 1 0 343.424 -1.102 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134655742 787249245 /nfs/dbraw/zinc/24/92/45/787249245.db2.gz MHFRYJSFAAPKCF-GHMZBOCLSA-N 1 0 330.385 -1.411 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655743 787249541 /nfs/dbraw/zinc/24/95/41/787249541.db2.gz MHFRYJSFAAPKCF-MNOVXSKESA-N 1 0 330.385 -1.411 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655744 787249553 /nfs/dbraw/zinc/24/95/53/787249553.db2.gz MHFRYJSFAAPKCF-QWRGUYRKSA-N 1 0 330.385 -1.411 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134655745 787249042 /nfs/dbraw/zinc/24/90/42/787249042.db2.gz MHFRYJSFAAPKCF-WDEREUQCSA-N 1 0 330.385 -1.411 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655746 787249702 /nfs/dbraw/zinc/24/97/02/787249702.db2.gz MJDGZIQJCLKRTC-KBPBESRZSA-N 1 0 334.413 -1.231 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134655747 787249890 /nfs/dbraw/zinc/24/98/90/787249890.db2.gz MJDGZIQJCLKRTC-KGLIPLIRSA-N 1 0 334.413 -1.231 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655748 787249574 /nfs/dbraw/zinc/24/95/74/787249574.db2.gz MJDGZIQJCLKRTC-UONOGXRCSA-N 1 0 334.413 -1.231 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134655749 787249670 /nfs/dbraw/zinc/24/96/70/787249670.db2.gz MJDGZIQJCLKRTC-ZIAGYGMSSA-N 1 0 334.413 -1.231 20 0 EAADRO O=C(COC[C@@H]1CCOC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134655972 787249773 /nfs/dbraw/zinc/24/97/73/787249773.db2.gz QUXGXUNWVJMNEI-LLVKDONJSA-N 1 0 328.369 -1.703 20 0 EAADRO O=C(COC[C@H]1CCOC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134655973 787249084 /nfs/dbraw/zinc/24/90/84/787249084.db2.gz QUXGXUNWVJMNEI-NSHDSACASA-N 1 0 328.369 -1.703 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134656032 787249788 /nfs/dbraw/zinc/24/97/88/787249788.db2.gz SMABKYWUHXUEQB-AWEZNQCLSA-N 1 0 331.413 -1.102 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134656033 787249256 /nfs/dbraw/zinc/24/92/56/787249256.db2.gz SMABKYWUHXUEQB-CQSZACIVSA-N 1 0 331.413 -1.102 20 0 EAADRO O=C(COC[C@@H]1CCOC1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134656222 787249696 /nfs/dbraw/zinc/24/96/96/787249696.db2.gz YOLQBCGLKLMYRP-GFCCVEGCSA-N 1 0 342.396 -1.313 20 0 EAADRO O=C(COC[C@H]1CCOC1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134656223 787249812 /nfs/dbraw/zinc/24/98/12/787249812.db2.gz YOLQBCGLKLMYRP-LBPRGKRZSA-N 1 0 342.396 -1.313 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134656268 787249160 /nfs/dbraw/zinc/24/91/60/787249160.db2.gz ZJTXQQQYJIICRB-GFCCVEGCSA-N 1 0 337.442 -1.315 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134656269 787249636 /nfs/dbraw/zinc/24/96/36/787249636.db2.gz ZJTXQQQYJIICRB-LBPRGKRZSA-N 1 0 337.442 -1.315 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(C)(C)C(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134656396 787249302 /nfs/dbraw/zinc/24/93/02/787249302.db2.gz BRYAQVBQVKOQFA-BDAKNGLRSA-N 1 0 326.401 -1.007 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(C)(C)C(N)=O ZINC001134656397 787249674 /nfs/dbraw/zinc/24/96/74/787249674.db2.gz BRYAQVBQVKOQFA-DTWKUNHWSA-N 1 0 326.401 -1.007 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(C)(C)C(N)=O ZINC001134656398 787249714 /nfs/dbraw/zinc/24/97/14/787249714.db2.gz BRYAQVBQVKOQFA-IUCAKERBSA-N 1 0 326.401 -1.007 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(C)(C)C(N)=O ZINC001134656399 787249832 /nfs/dbraw/zinc/24/98/32/787249832.db2.gz BRYAQVBQVKOQFA-RKDXNWHRSA-N 1 0 326.401 -1.007 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134658651 787248183 /nfs/dbraw/zinc/24/81/83/787248183.db2.gz VUKNRQIYVWMLNA-BDAKNGLRSA-N 1 0 329.401 -1.174 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134658652 787247918 /nfs/dbraw/zinc/24/79/18/787247918.db2.gz VUKNRQIYVWMLNA-DTWKUNHWSA-N 1 0 329.401 -1.174 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134658653 787248388 /nfs/dbraw/zinc/24/83/88/787248388.db2.gz VUKNRQIYVWMLNA-IUCAKERBSA-N 1 0 329.401 -1.174 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134658654 787248238 /nfs/dbraw/zinc/24/82/38/787248238.db2.gz VUKNRQIYVWMLNA-RKDXNWHRSA-N 1 0 329.401 -1.174 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134659401 787250660 /nfs/dbraw/zinc/25/06/60/787250660.db2.gz AXZTVXGOCJUSQR-GHMZBOCLSA-N 1 0 332.401 -1.022 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134659402 787251190 /nfs/dbraw/zinc/25/11/90/787251190.db2.gz AXZTVXGOCJUSQR-MNOVXSKESA-N 1 0 332.401 -1.022 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134659403 787251321 /nfs/dbraw/zinc/25/13/21/787251321.db2.gz AXZTVXGOCJUSQR-QWRGUYRKSA-N 1 0 332.401 -1.022 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134659404 787251287 /nfs/dbraw/zinc/25/12/87/787251287.db2.gz AXZTVXGOCJUSQR-WDEREUQCSA-N 1 0 332.401 -1.022 20 0 EAADRO COCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134659514 787250642 /nfs/dbraw/zinc/25/06/42/787250642.db2.gz DFZXHTIJZYKFQE-LLVKDONJSA-N 1 0 330.385 -2.298 20 0 EAADRO COCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134659515 787250888 /nfs/dbraw/zinc/25/08/88/787250888.db2.gz DFZXHTIJZYKFQE-NSHDSACASA-N 1 0 330.385 -2.298 20 0 EAADRO COCCO[C@H](C)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001134659558 787252186 /nfs/dbraw/zinc/25/21/86/787252186.db2.gz FLJFTRANOYNEDP-LLVKDONJSA-N 1 0 325.431 -1.365 20 0 EAADRO COCCO[C@@H](C)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001134659559 787252161 /nfs/dbraw/zinc/25/21/61/787252161.db2.gz FLJFTRANOYNEDP-NSHDSACASA-N 1 0 325.431 -1.365 20 0 EAADRO O=C(COC[C@@H]1CCOC1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134659696 787251736 /nfs/dbraw/zinc/25/17/36/787251736.db2.gz HYPUYKNCLXVZAL-GFCCVEGCSA-N 1 0 327.381 -1.106 20 0 EAADRO O=C(COC[C@H]1CCOC1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134659697 787252445 /nfs/dbraw/zinc/25/24/45/787252445.db2.gz HYPUYKNCLXVZAL-LBPRGKRZSA-N 1 0 327.381 -1.106 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134659889 787252805 /nfs/dbraw/zinc/25/28/05/787252805.db2.gz MODUOQJNPOPAFJ-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134659890 787252717 /nfs/dbraw/zinc/25/27/17/787252717.db2.gz MODUOQJNPOPAFJ-NSHDSACASA-N 1 0 332.401 -1.021 20 0 EAADRO COCCO[C@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134659912 787252025 /nfs/dbraw/zinc/25/20/25/787252025.db2.gz NPYXEAOBVRJSEI-OLZOCXBDSA-N 1 0 331.413 -1.273 20 0 EAADRO COCCO[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134659913 787252798 /nfs/dbraw/zinc/25/27/98/787252798.db2.gz NPYXEAOBVRJSEI-STQMWFEESA-N 1 0 331.413 -1.273 20 0 EAADRO COCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134660144 787252337 /nfs/dbraw/zinc/25/23/37/787252337.db2.gz SUHJQBJBOTZYBF-JTQLQIEISA-N 1 0 330.385 -1.268 20 0 EAADRO COCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134660145 787251913 /nfs/dbraw/zinc/25/19/13/787251913.db2.gz SUHJQBJBOTZYBF-SNVBAGLBSA-N 1 0 330.385 -1.268 20 0 EAADRO COCCO[C@H](C)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001134660158 787252373 /nfs/dbraw/zinc/25/23/73/787252373.db2.gz TWXJNEQJIOFBMI-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO COCCO[C@@H](C)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001134660159 787252220 /nfs/dbraw/zinc/25/22/20/787252220.db2.gz TWXJNEQJIOFBMI-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C(C)(C)C(N)=O ZINC001134661011 787252627 /nfs/dbraw/zinc/25/26/27/787252627.db2.gz AEOPVLMIFKIPNY-NXEZZACHSA-N 1 0 336.458 -1.080 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C(C)(C)C(N)=O ZINC001134661012 787251793 /nfs/dbraw/zinc/25/17/93/787251793.db2.gz AEOPVLMIFKIPNY-UWVGGRQHSA-N 1 0 336.458 -1.080 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C(C)(C)C(N)=O ZINC001134661013 787252247 /nfs/dbraw/zinc/25/22/47/787252247.db2.gz AEOPVLMIFKIPNY-VHSXEESVSA-N 1 0 336.458 -1.080 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(C)(C)C(N)=O)[NH2+]CCNS(C)(=O)=O ZINC001134661014 787252682 /nfs/dbraw/zinc/25/26/82/787252682.db2.gz AEOPVLMIFKIPNY-ZJUUUORDSA-N 1 0 336.458 -1.080 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C(C)(C)C(N)=O ZINC001134661647 787252711 /nfs/dbraw/zinc/25/27/11/787252711.db2.gz HLGIPQARBFJLHX-NXEZZACHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C(C)(C)C(N)=O ZINC001134661648 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334.398 -1.900 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)NC(N)=O ZINC001134663253 787252037 /nfs/dbraw/zinc/25/20/37/787252037.db2.gz DMBBISRGDCTWTF-IUCAKERBSA-N 1 0 334.398 -1.900 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)NC(N)=O ZINC001134663254 787252089 /nfs/dbraw/zinc/25/20/89/787252089.db2.gz DMBBISRGDCTWTF-RKDXNWHRSA-N 1 0 334.398 -1.900 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134663289 787252688 /nfs/dbraw/zinc/25/26/88/787252688.db2.gz FHCNNFFFCZQQCX-UHFFFAOYSA-N 1 0 348.425 -1.637 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1)N1CCOCC1 ZINC001134663329 787252344 /nfs/dbraw/zinc/25/23/44/787252344.db2.gz GSHHEQNWLYROPC-UHFFFAOYSA-N 1 0 347.437 -1.624 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1CCCS(=O)(=O)C1 ZINC001134663431 787252840 /nfs/dbraw/zinc/25/28/40/787252840.db2.gz JZCBTYBWCFKSIC-CHWSQXEVSA-N 1 0 344.437 -1.225 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1CCCS(=O)(=O)C1 ZINC001134663432 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EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134663528 787252567 /nfs/dbraw/zinc/25/25/67/787252567.db2.gz MPNQRQRFLBYUSE-NSHDSACASA-N 1 0 345.421 -1.334 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134663550 787252457 /nfs/dbraw/zinc/25/24/57/787252457.db2.gz NAWTVMYCYNURHJ-UHFFFAOYSA-N 1 0 349.453 -1.330 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134663640 787252522 /nfs/dbraw/zinc/25/25/22/787252522.db2.gz PWVCJTNLURHNOZ-UHFFFAOYSA-N 1 0 334.398 -2.027 20 0 EAADRO COCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001134663759 787252758 /nfs/dbraw/zinc/25/27/58/787252758.db2.gz TWXAZZVBRDUALA-CHWSQXEVSA-N 1 0 331.413 -1.009 20 0 EAADRO COCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001134663760 787252749 /nfs/dbraw/zinc/25/27/49/787252749.db2.gz TWXAZZVBRDUALA-OLZOCXBDSA-N 1 0 331.413 -1.009 20 0 EAADRO COCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001134663761 787252236 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C[C@H](C[C@H](C)NC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnnn1C ZINC001134664578 787252202 /nfs/dbraw/zinc/25/22/02/787252202.db2.gz ATDHKCYCNRNDBG-ZJUUUORDSA-N 1 0 334.384 -1.010 20 0 EAADRO Cn1ccc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1=O ZINC001134664733 787252155 /nfs/dbraw/zinc/25/21/55/787252155.db2.gz AISHTJVULKVROA-UHFFFAOYSA-N 1 0 347.375 -1.698 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCN2CCNC2=O)c(=O)n(C)c1=O ZINC001134664801 787252230 /nfs/dbraw/zinc/25/22/30/787252230.db2.gz ANHBEDOFIKVTQR-UHFFFAOYSA-N 1 0 338.368 -2.571 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCCC2)c(=O)n(C)c1=O ZINC001134664811 787252055 /nfs/dbraw/zinc/25/20/55/787252055.db2.gz AQDSFDFMQKPXEJ-UHFFFAOYSA-N 1 0 337.380 -1.974 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134664828 787252663 /nfs/dbraw/zinc/25/26/63/787252663.db2.gz ARXFVBZBGXUJDY-UHFFFAOYSA-N 1 0 335.368 -1.785 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134664849 787252146 /nfs/dbraw/zinc/25/21/46/787252146.db2.gz AVKOSFWZIFSYOB-UHFFFAOYSA-N 1 0 349.453 -1.330 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001134664852 787252258 /nfs/dbraw/zinc/25/22/58/787252258.db2.gz AWPVXBHLZDSTLB-UHFFFAOYSA-N 1 0 347.379 -1.781 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134664853 787252676 /nfs/dbraw/zinc/25/26/76/787252676.db2.gz AZCMLFWAHZEKJD-UHFFFAOYSA-N 1 0 334.380 -1.620 20 0 EAADRO Cc1nccnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134664857 787252196 /nfs/dbraw/zinc/25/21/96/787252196.db2.gz BEPYJGMITKKUJA-UHFFFAOYSA-N 1 0 332.364 -1.298 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O)C1CC1 ZINC001134664859 787252269 /nfs/dbraw/zinc/25/22/69/787252269.db2.gz BHWMSSRMQHVEIH-UHFFFAOYSA-N 1 0 347.379 -1.782 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O)c1cnccn1 ZINC001134664860 787252304 /nfs/dbraw/zinc/25/23/04/787252304.db2.gz BLTYGIRTHJQOJX-JTQLQIEISA-N 1 0 332.364 -1.045 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O)c1cnccn1 ZINC001134664861 787251895 /nfs/dbraw/zinc/25/18/95/787251895.db2.gz BLTYGIRTHJQOJX-SNVBAGLBSA-N 1 0 332.364 -1.045 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134664864 787251715 /nfs/dbraw/zinc/25/17/15/787251715.db2.gz BMRPSMQDVVSQNU-UHFFFAOYSA-N 1 0 325.369 -2.118 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)c(=O)n(C)c1=O ZINC001134664877 787252206 /nfs/dbraw/zinc/25/22/06/787252206.db2.gz BYLQDXXQBIEGJA-LLVKDONJSA-N 1 0 337.380 -1.976 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)c(=O)n(C)c1=O ZINC001134664878 787252573 /nfs/dbraw/zinc/25/25/73/787252573.db2.gz BYLQDXXQBIEGJA-NSHDSACASA-N 1 0 337.380 -1.976 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)Cn1ncn2nccc2c1=O)C(N)=O ZINC001134664897 787252450 /nfs/dbraw/zinc/25/24/50/787252450.db2.gz CZLNHJCRRPFAOZ-LLVKDONJSA-N 1 0 349.395 -1.359 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)Cn1ncn2nccc2c1=O)C(N)=O ZINC001134664898 787252328 /nfs/dbraw/zinc/25/23/28/787252328.db2.gz CZLNHJCRRPFAOZ-NSHDSACASA-N 1 0 349.395 -1.359 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCC[NH2+]CCn1cccn1 ZINC001134664916 787252770 /nfs/dbraw/zinc/25/27/70/787252770.db2.gz FBDLSPWZASGGCL-UHFFFAOYSA-N 1 0 330.352 -1.507 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCO[C@H]2CC2(F)F)c(=O)n(C)c1=O ZINC001134665046 787252313 /nfs/dbraw/zinc/25/23/13/787252313.db2.gz GRYMWSBDRRCCPS-JTQLQIEISA-N 1 0 346.334 -1.172 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCO[C@@H]2CC2(F)F)c(=O)n(C)c1=O ZINC001134665061 787252728 /nfs/dbraw/zinc/25/27/28/787252728.db2.gz GRYMWSBDRRCCPS-SNVBAGLBSA-N 1 0 346.334 -1.172 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665064 787252542 /nfs/dbraw/zinc/25/25/42/787252542.db2.gz GSUKGRVMTZPRCM-JTQLQIEISA-N 1 0 339.396 -1.682 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665069 787252500 /nfs/dbraw/zinc/25/25/00/787252500.db2.gz GSUKGRVMTZPRCM-SNVBAGLBSA-N 1 0 339.396 -1.682 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)C1=O ZINC001134665127 787252171 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ZINC001134768124 787257457 /nfs/dbraw/zinc/25/74/57/787257457.db2.gz BMDWWOAFSUQXGU-WDEREUQCSA-N 1 0 343.428 -1.800 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768169 787257401 /nfs/dbraw/zinc/25/74/01/787257401.db2.gz CDLOIQFJHQGDHL-GHMZBOCLSA-N 1 0 343.428 -1.752 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768170 787257310 /nfs/dbraw/zinc/25/73/10/787257310.db2.gz CDLOIQFJHQGDHL-MNOVXSKESA-N 1 0 343.428 -1.752 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768171 787257579 /nfs/dbraw/zinc/25/75/79/787257579.db2.gz CDLOIQFJHQGDHL-QWRGUYRKSA-N 1 0 343.428 -1.752 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768172 787257373 /nfs/dbraw/zinc/25/73/73/787257373.db2.gz CDLOIQFJHQGDHL-WDEREUQCSA-N 1 0 343.428 -1.752 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001134768277 787257610 /nfs/dbraw/zinc/25/76/10/787257610.db2.gz CWXMYRVWVWKJFU-NXEZZACHSA-N 1 0 340.384 -1.305 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001134768292 787257512 /nfs/dbraw/zinc/25/75/12/787257512.db2.gz CWXMYRVWVWKJFU-UWVGGRQHSA-N 1 0 340.384 -1.305 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001134768294 787257173 /nfs/dbraw/zinc/25/71/73/787257173.db2.gz CWXMYRVWVWKJFU-VHSXEESVSA-N 1 0 340.384 -1.305 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001134768296 787257678 /nfs/dbraw/zinc/25/76/78/787257678.db2.gz CWXMYRVWVWKJFU-ZJUUUORDSA-N 1 0 340.384 -1.305 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769257 787257569 /nfs/dbraw/zinc/25/75/69/787257569.db2.gz IOWQNFPEMHRTPP-NXEZZACHSA-N 1 0 329.401 -2.142 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769258 787257723 /nfs/dbraw/zinc/25/77/23/787257723.db2.gz IOWQNFPEMHRTPP-UWVGGRQHSA-N 1 0 329.401 -2.142 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769259 787257064 /nfs/dbraw/zinc/25/70/64/787257064.db2.gz IOWQNFPEMHRTPP-VHSXEESVSA-N 1 0 329.401 -2.142 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769260 787257486 /nfs/dbraw/zinc/25/74/86/787257486.db2.gz IOWQNFPEMHRTPP-ZJUUUORDSA-N 1 0 329.401 -2.142 20 0 EAADRO CCn1ccc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC001134770102 787257543 /nfs/dbraw/zinc/25/75/43/787257543.db2.gz RJCDXANJWBZWJF-UHFFFAOYSA-N 1 0 334.380 -1.180 20 0 EAADRO CCn1ccc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)n1 ZINC001134770199 787257200 /nfs/dbraw/zinc/25/72/00/787257200.db2.gz UHDUZQNCLQWRLL-LLVKDONJSA-N 1 0 338.412 -1.185 20 0 EAADRO CCn1ccc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC001134770202 787257483 /nfs/dbraw/zinc/25/74/83/787257483.db2.gz UHDUZQNCLQWRLL-NSHDSACASA-N 1 0 338.412 -1.185 20 0 EAADRO CCn1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001134770488 787257433 /nfs/dbraw/zinc/25/74/33/787257433.db2.gz WYNBLOWXBQLMRE-LLVKDONJSA-N 1 0 337.380 -1.268 20 0 EAADRO CCn1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001134770490 787257273 /nfs/dbraw/zinc/25/72/73/787257273.db2.gz WYNBLOWXBQLMRE-NSHDSACASA-N 1 0 337.380 -1.268 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134770618 787257444 /nfs/dbraw/zinc/25/74/44/787257444.db2.gz PBBZXNCCQBPDDV-NEPJUHHUSA-N 1 0 346.428 -1.880 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134770619 787257342 /nfs/dbraw/zinc/25/73/42/787257342.db2.gz PBBZXNCCQBPDDV-NWDGAFQWSA-N 1 0 346.428 -1.880 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134770620 787257558 /nfs/dbraw/zinc/25/75/58/787257558.db2.gz PBBZXNCCQBPDDV-RYUDHWBXSA-N 1 0 346.428 -1.880 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134770621 787257369 /nfs/dbraw/zinc/25/73/69/787257369.db2.gz PBBZXNCCQBPDDV-VXGBXAGGSA-N 1 0 346.428 -1.880 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001134777995 787257646 /nfs/dbraw/zinc/25/76/46/787257646.db2.gz MQFIWELMTRNJDZ-HTQZYQBOSA-N 1 0 332.382 -1.101 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001134778002 787257529 /nfs/dbraw/zinc/25/75/29/787257529.db2.gz MQFIWELMTRNJDZ-JGVFFNPUSA-N 1 0 332.382 -1.101 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1coc(S(N)(=O)=O)c1)[NH2+]CC(N)=O ZINC001134778003 787257353 /nfs/dbraw/zinc/25/73/53/787257353.db2.gz MQFIWELMTRNJDZ-SFYZADRCSA-N 1 0 332.382 -1.101 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001134778005 787257655 /nfs/dbraw/zinc/25/76/55/787257655.db2.gz MQFIWELMTRNJDZ-YUMQZZPRSA-N 1 0 332.382 -1.101 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134786454 787257650 /nfs/dbraw/zinc/25/76/50/787257650.db2.gz BLRKAZPKLABNBN-CHWSQXEVSA-N 1 0 341.456 -1.231 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134786455 787257540 /nfs/dbraw/zinc/25/75/40/787257540.db2.gz BLRKAZPKLABNBN-OLZOCXBDSA-N 1 0 341.456 -1.231 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134786456 787257640 /nfs/dbraw/zinc/25/76/40/787257640.db2.gz BLRKAZPKLABNBN-QWHCGFSZSA-N 1 0 341.456 -1.231 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134786457 787257461 /nfs/dbraw/zinc/25/74/61/787257461.db2.gz BLRKAZPKLABNBN-STQMWFEESA-N 1 0 341.456 -1.231 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]CC(=O)NC(N)=O ZINC001134786571 787257674 /nfs/dbraw/zinc/25/76/74/787257674.db2.gz CIZNUSWKHONABG-BDAKNGLRSA-N 1 0 341.372 -2.350 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001134786582 787257129 /nfs/dbraw/zinc/25/71/29/787257129.db2.gz CIZNUSWKHONABG-DTWKUNHWSA-N 1 0 341.372 -2.350 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001134786584 787257477 /nfs/dbraw/zinc/25/74/77/787257477.db2.gz CIZNUSWKHONABG-IUCAKERBSA-N 1 0 341.372 -2.350 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001134786585 787257146 /nfs/dbraw/zinc/25/71/46/787257146.db2.gz CIZNUSWKHONABG-RKDXNWHRSA-N 1 0 341.372 -2.350 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786606 787257492 /nfs/dbraw/zinc/25/74/92/787257492.db2.gz CUAUSNWODHTKPW-NEPJUHHUSA-N 1 0 340.428 -1.019 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786608 787257669 /nfs/dbraw/zinc/25/76/69/787257669.db2.gz CUAUSNWODHTKPW-NWDGAFQWSA-N 1 0 340.428 -1.019 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786609 787257466 /nfs/dbraw/zinc/25/74/66/787257466.db2.gz CUAUSNWODHTKPW-RYUDHWBXSA-N 1 0 340.428 -1.019 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786610 787257491 /nfs/dbraw/zinc/25/74/91/787257491.db2.gz CUAUSNWODHTKPW-VXGBXAGGSA-N 1 0 340.428 -1.019 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1ncnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134786704 787257662 /nfs/dbraw/zinc/25/76/62/787257662.db2.gz FLUMNXFTBCVUKR-GHMZBOCLSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001134786706 787257523 /nfs/dbraw/zinc/25/75/23/787257523.db2.gz FLUMNXFTBCVUKR-MNOVXSKESA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134786708 787257478 /nfs/dbraw/zinc/25/74/78/787257478.db2.gz FLUMNXFTBCVUKR-QWRGUYRKSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134786709 787257493 /nfs/dbraw/zinc/25/74/93/787257493.db2.gz FLUMNXFTBCVUKR-WDEREUQCSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134786751 787257469 /nfs/dbraw/zinc/25/74/69/787257469.db2.gz FSQGSZOLLLBRPM-NXEZZACHSA-N 1 0 337.388 -1.822 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134786759 787257300 /nfs/dbraw/zinc/25/73/00/787257300.db2.gz FSQGSZOLLLBRPM-UWVGGRQHSA-N 1 0 337.388 -1.822 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134786760 787257449 /nfs/dbraw/zinc/25/74/49/787257449.db2.gz FSQGSZOLLLBRPM-VHSXEESVSA-N 1 0 337.388 -1.822 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nnnn1C ZINC001134786761 787257689 /nfs/dbraw/zinc/25/76/89/787257689.db2.gz FSQGSZOLLLBRPM-ZJUUUORDSA-N 1 0 337.388 -1.822 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)Cn1ncn(C)c1=O ZINC001134786944 787257363 /nfs/dbraw/zinc/25/73/63/787257363.db2.gz HEHNTXBQGAOECA-GHMZBOCLSA-N 1 0 338.412 -1.267 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]CC(=O)NC1CC1 ZINC001134786945 787256960 /nfs/dbraw/zinc/25/69/60/787256960.db2.gz HEHNTXBQGAOECA-MNOVXSKESA-N 1 0 338.412 -1.267 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)Cn1ncn(C)c1=O ZINC001134786946 787257386 /nfs/dbraw/zinc/25/73/86/787257386.db2.gz HEHNTXBQGAOECA-QWRGUYRKSA-N 1 0 338.412 -1.267 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)Cn1ncn(C)c1=O ZINC001134786947 787257038 /nfs/dbraw/zinc/25/70/38/787257038.db2.gz HEHNTXBQGAOECA-WDEREUQCSA-N 1 0 338.412 -1.267 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786982 787257405 /nfs/dbraw/zinc/25/74/05/787257405.db2.gz HLJBEBJWFMUNJG-GHMZBOCLSA-N 1 0 326.401 -1.409 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786983 787257349 /nfs/dbraw/zinc/25/73/49/787257349.db2.gz HLJBEBJWFMUNJG-MNOVXSKESA-N 1 0 326.401 -1.409 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786985 787257532 /nfs/dbraw/zinc/25/75/32/787257532.db2.gz HLJBEBJWFMUNJG-QWRGUYRKSA-N 1 0 326.401 -1.409 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786986 787257335 /nfs/dbraw/zinc/25/73/35/787257335.db2.gz HLJBEBJWFMUNJG-WDEREUQCSA-N 1 0 326.401 -1.409 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787002 787257022 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-1.313 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)Cn1ncn(C)c1=O ZINC001134787185 787257051 /nfs/dbraw/zinc/25/70/51/787257051.db2.gz INWWIUBOJKQVMR-RYUDHWBXSA-N 1 0 338.412 -1.313 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)Cn1ncn(C)c1=O ZINC001134787186 787257553 /nfs/dbraw/zinc/25/75/53/787257553.db2.gz INWWIUBOJKQVMR-VXGBXAGGSA-N 1 0 338.412 -1.313 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787370 787257712 /nfs/dbraw/zinc/25/77/12/787257712.db2.gz KAMFMXCTTXCEFY-NEPJUHHUSA-N 1 0 340.428 -1.021 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787371 787257536 /nfs/dbraw/zinc/25/75/36/787257536.db2.gz KAMFMXCTTXCEFY-NWDGAFQWSA-N 1 0 340.428 -1.021 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787372 787257598 /nfs/dbraw/zinc/25/75/98/787257598.db2.gz KAMFMXCTTXCEFY-RYUDHWBXSA-N 1 0 340.428 -1.021 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787373 787257136 /nfs/dbraw/zinc/25/71/36/787257136.db2.gz KAMFMXCTTXCEFY-VXGBXAGGSA-N 1 0 340.428 -1.021 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)Cn1ncn(C)c1=O ZINC001134787632 787257474 /nfs/dbraw/zinc/25/74/74/787257474.db2.gz NODOAUGDFNMDNB-GHMZBOCLSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cn(C)nn1 ZINC001134787633 787256993 /nfs/dbraw/zinc/25/69/93/787256993.db2.gz NODOAUGDFNMDNB-MNOVXSKESA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)Cn1ncn(C)c1=O ZINC001134787634 787257617 /nfs/dbraw/zinc/25/76/17/787257617.db2.gz NODOAUGDFNMDNB-QWRGUYRKSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)Cn1ncn(C)c1=O ZINC001134787635 787257391 /nfs/dbraw/zinc/25/73/91/787257391.db2.gz NODOAUGDFNMDNB-WDEREUQCSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)Cn1ncn(C)c1=O ZINC001134787708 787257434 /nfs/dbraw/zinc/25/74/34/787257434.db2.gz OKQILNNBSXWRCW-GHMZBOCLSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnn(C)n1 ZINC001134787709 787258475 /nfs/dbraw/zinc/25/84/75/787258475.db2.gz OKQILNNBSXWRCW-MNOVXSKESA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)Cn1ncn(C)c1=O ZINC001134787710 787258205 /nfs/dbraw/zinc/25/82/05/787258205.db2.gz OKQILNNBSXWRCW-QWRGUYRKSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)Cn1ncn(C)c1=O ZINC001134787711 787258467 /nfs/dbraw/zinc/25/84/67/787258467.db2.gz OKQILNNBSXWRCW-WDEREUQCSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]CCn1cncn1 ZINC001134787832 787258618 /nfs/dbraw/zinc/25/86/18/787258618.db2.gz QOWXQRIRODUVTD-NEPJUHHUSA-N 1 0 336.400 -1.254 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)Cn1ncn(C)c1=O ZINC001134787833 787258723 /nfs/dbraw/zinc/25/87/23/787258723.db2.gz QOWXQRIRODUVTD-NWDGAFQWSA-N 1 0 336.400 -1.254 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)Cn1ncn(C)c1=O ZINC001134787834 787258483 /nfs/dbraw/zinc/25/84/83/787258483.db2.gz QOWXQRIRODUVTD-RYUDHWBXSA-N 1 0 336.400 -1.254 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)Cn1ncn(C)c1=O ZINC001134787835 787258498 /nfs/dbraw/zinc/25/84/98/787258498.db2.gz QOWXQRIRODUVTD-VXGBXAGGSA-N 1 0 336.400 -1.254 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134787872 787258276 /nfs/dbraw/zinc/25/82/76/787258276.db2.gz RIOKASNZZGBDHC-GHMZBOCLSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001134787873 787258515 /nfs/dbraw/zinc/25/85/15/787258515.db2.gz RIOKASNZZGBDHC-MNOVXSKESA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134787874 787258538 /nfs/dbraw/zinc/25/85/38/787258538.db2.gz RIOKASNZZGBDHC-QWRGUYRKSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134787875 787258645 /nfs/dbraw/zinc/25/86/45/787258645.db2.gz RIOKASNZZGBDHC-WDEREUQCSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001134788140 787258781 /nfs/dbraw/zinc/25/87/81/787258781.db2.gz WNQXRQMWIAGZEY-GHMZBOCLSA-N 1 0 326.401 -1.457 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]CC(=O)N(C)C ZINC001134788141 787258863 /nfs/dbraw/zinc/25/88/63/787258863.db2.gz WNQXRQMWIAGZEY-MNOVXSKESA-N 1 0 326.401 -1.457 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001134788142 787258273 /nfs/dbraw/zinc/25/82/73/787258273.db2.gz WNQXRQMWIAGZEY-QWRGUYRKSA-N 1 0 326.401 -1.457 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001134788143 787258216 /nfs/dbraw/zinc/25/82/16/787258216.db2.gz WNQXRQMWIAGZEY-WDEREUQCSA-N 1 0 326.401 -1.457 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134788144 787258287 /nfs/dbraw/zinc/25/82/87/787258287.db2.gz WPVJGPLRXBLAKL-NEPJUHHUSA-N 1 0 327.429 -1.621 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134788145 787258473 /nfs/dbraw/zinc/25/84/73/787258473.db2.gz WPVJGPLRXBLAKL-NWDGAFQWSA-N 1 0 327.429 -1.621 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134788146 787258447 /nfs/dbraw/zinc/25/84/47/787258447.db2.gz WPVJGPLRXBLAKL-RYUDHWBXSA-N 1 0 327.429 -1.621 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134788147 787258284 /nfs/dbraw/zinc/25/82/84/787258284.db2.gz WPVJGPLRXBLAKL-VXGBXAGGSA-N 1 0 327.429 -1.621 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)Cn1ncn(C)c1=O ZINC001134788168 787258334 /nfs/dbraw/zinc/25/83/34/787258334.db2.gz WZOFCTHGAAHEJN-GHMZBOCLSA-N 1 0 347.441 -1.501 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]CCS(C)(=O)=O ZINC001134788169 787258347 /nfs/dbraw/zinc/25/83/47/787258347.db2.gz WZOFCTHGAAHEJN-MNOVXSKESA-N 1 0 347.441 -1.501 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)Cn1ncn(C)c1=O ZINC001134788170 787258485 /nfs/dbraw/zinc/25/84/85/787258485.db2.gz WZOFCTHGAAHEJN-QWRGUYRKSA-N 1 0 347.441 -1.501 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)Cn1ncn(C)c1=O ZINC001134788171 787258611 /nfs/dbraw/zinc/25/86/11/787258611.db2.gz WZOFCTHGAAHEJN-WDEREUQCSA-N 1 0 347.441 -1.501 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134788204 787258486 /nfs/dbraw/zinc/25/84/86/787258486.db2.gz XOECARSXWSIRMQ-GHMZBOCLSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnnn1C ZINC001134788205 787258354 /nfs/dbraw/zinc/25/83/54/787258354.db2.gz XOECARSXWSIRMQ-MNOVXSKESA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134788206 787258589 /nfs/dbraw/zinc/25/85/89/787258589.db2.gz XOECARSXWSIRMQ-QWRGUYRKSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001134788207 787258487 /nfs/dbraw/zinc/25/84/87/787258487.db2.gz XOECARSXWSIRMQ-WDEREUQCSA-N 1 0 336.400 -1.217 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134788236 787258439 /nfs/dbraw/zinc/25/84/39/787258439.db2.gz XYWBYLCQBBUWBA-CHWSQXEVSA-N 1 0 341.456 -1.279 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1)[NH2+]CC(=O)N(C)C ZINC001134788237 787258422 /nfs/dbraw/zinc/25/84/22/787258422.db2.gz XYWBYLCQBBUWBA-OLZOCXBDSA-N 1 0 341.456 -1.279 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134788238 787258557 /nfs/dbraw/zinc/25/85/57/787258557.db2.gz XYWBYLCQBBUWBA-QWHCGFSZSA-N 1 0 341.456 -1.279 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134788239 787258394 /nfs/dbraw/zinc/25/83/94/787258394.db2.gz XYWBYLCQBBUWBA-STQMWFEESA-N 1 0 341.456 -1.279 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH2+]CCOCCO ZINC001134788340 787258311 /nfs/dbraw/zinc/25/83/11/787258311.db2.gz ZKOBFQZKEGGZRC-NEPJUHHUSA-N 1 0 329.401 -1.536 20 0 EAADRO 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C[C@@H]([NH2+]CCNC(=O)C(=O)N1CCC(C)CC1)C(=O)NC(N)=O ZINC001134874239 787263542 /nfs/dbraw/zinc/26/35/42/787263542.db2.gz DQQPTOYSPCBENX-SNVBAGLBSA-N 1 0 327.385 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134874959 787263057 /nfs/dbraw/zinc/26/30/57/787263057.db2.gz MKWLONOUIRNPCA-JTQLQIEISA-N 1 0 327.385 -1.594 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134874960 787263614 /nfs/dbraw/zinc/26/36/14/787263614.db2.gz MKWLONOUIRNPCA-SNVBAGLBSA-N 1 0 327.385 -1.594 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134874980 787263337 /nfs/dbraw/zinc/26/33/37/787263337.db2.gz MUDUFLMHCGONFP-LLVKDONJSA-N 1 0 341.412 -1.204 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134874981 787263572 /nfs/dbraw/zinc/26/35/72/787263572.db2.gz MUDUFLMHCGONFP-NSHDSACASA-N 1 0 341.412 -1.204 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134875029 787263601 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C[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001134875599 787264023 /nfs/dbraw/zinc/26/40/23/787264023.db2.gz WURPTIACJPGPAR-GFCCVEGCSA-N 1 0 325.413 -1.024 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001134875600 787263375 /nfs/dbraw/zinc/26/33/75/787263375.db2.gz WURPTIACJPGPAR-LBPRGKRZSA-N 1 0 325.413 -1.024 20 0 EAADRO COc1nc(C)ccc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134877798 787263255 /nfs/dbraw/zinc/26/32/55/787263255.db2.gz IIBDNRRCHZDUDH-UHFFFAOYSA-N 1 0 349.391 -1.324 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134877866 787263640 /nfs/dbraw/zinc/26/36/40/787263640.db2.gz KXRXAIFACRTARP-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134877867 787263735 /nfs/dbraw/zinc/26/37/35/787263735.db2.gz KXRXAIFACRTARP-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001134877915 787263865 /nfs/dbraw/zinc/26/38/65/787263865.db2.gz MGRIATCNBOIKIM-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001134877916 787263648 /nfs/dbraw/zinc/26/36/48/787263648.db2.gz MGRIATCNBOIKIM-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)NC(N)=O ZINC001134877977 787263184 /nfs/dbraw/zinc/26/31/84/787263184.db2.gz OEPXHQTXGPHBES-NXEZZACHSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1)C(=O)NC(N)=O ZINC001134877978 787263150 /nfs/dbraw/zinc/26/31/50/787263150.db2.gz OEPXHQTXGPHBES-UWVGGRQHSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1)C(=O)NC(N)=O ZINC001134877979 787263697 /nfs/dbraw/zinc/26/36/97/787263697.db2.gz OEPXHQTXGPHBES-VHSXEESVSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)NC(N)=O ZINC001134877980 787263561 /nfs/dbraw/zinc/26/35/61/787263561.db2.gz OEPXHQTXGPHBES-ZJUUUORDSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001134878044 787263211 /nfs/dbraw/zinc/26/32/11/787263211.db2.gz PZSMJAVJLDIYST-LLVKDONJSA-N 1 0 339.396 -1.498 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001134878045 787264015 /nfs/dbraw/zinc/26/40/15/787264015.db2.gz PZSMJAVJLDIYST-NSHDSACASA-N 1 0 339.396 -1.498 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134878249 787263333 /nfs/dbraw/zinc/26/33/33/787263333.db2.gz UWUKBZNYIUZCKO-GHMZBOCLSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134878250 787263623 /nfs/dbraw/zinc/26/36/23/787263623.db2.gz UWUKBZNYIUZCKO-MNOVXSKESA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134878251 787263708 /nfs/dbraw/zinc/26/37/08/787263708.db2.gz UWUKBZNYIUZCKO-QWRGUYRKSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134878252 787263326 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ZINC001134893726 787263790 /nfs/dbraw/zinc/26/37/90/787263790.db2.gz YCVYUWAIUSXBEM-QWRGUYRKSA-N 1 0 339.396 -1.090 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134893727 787263115 /nfs/dbraw/zinc/26/31/15/787263115.db2.gz YCVYUWAIUSXBEM-WDEREUQCSA-N 1 0 339.396 -1.090 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134893979 787263915 /nfs/dbraw/zinc/26/39/15/787263915.db2.gz AXXAWFCKSGXLKC-NSHDSACASA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134894044 787263748 /nfs/dbraw/zinc/26/37/48/787263748.db2.gz FMYGGDQBWCLQJK-NEPJUHHUSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134894045 787264004 /nfs/dbraw/zinc/26/40/04/787264004.db2.gz FMYGGDQBWCLQJK-RYUDHWBXSA-N 1 0 336.392 -1.102 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134894079 787263501 /nfs/dbraw/zinc/26/35/01/787263501.db2.gz HEAZAGGJGOOYNN-JTQLQIEISA-N 1 0 325.369 -1.712 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134894265 787263368 /nfs/dbraw/zinc/26/33/68/787263368.db2.gz PSKUWZDWXRZOCZ-LBPRGKRZSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)NC(N)=O ZINC001134896237 787263603 /nfs/dbraw/zinc/26/36/03/787263603.db2.gz OWSDKEINUYKWIY-SSDOTTSWSA-N 1 0 336.352 -1.038 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)NC(N)=O ZINC001134896238 787263777 /nfs/dbraw/zinc/26/37/77/787263777.db2.gz OWSDKEINUYKWIY-ZETCQYMHSA-N 1 0 336.352 -1.038 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001134896342 787263196 /nfs/dbraw/zinc/26/31/96/787263196.db2.gz RWPSJQYNFIPLGM-UHFFFAOYSA-N 1 0 343.409 -1.072 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cnc(C2CC2)[nH]c1=O ZINC001134896386 787263885 /nfs/dbraw/zinc/26/38/85/787263885.db2.gz SSNFBUIRMWEOFD-UHFFFAOYSA-N 1 0 348.363 -1.069 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]CCOCCO ZINC001134897195 787263547 /nfs/dbraw/zinc/26/35/47/787263547.db2.gz BELJGILMQLEYKB-NEPJUHHUSA-N 1 0 342.396 -1.169 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897196 787263518 /nfs/dbraw/zinc/26/35/18/787263518.db2.gz BELJGILMQLEYKB-NWDGAFQWSA-N 1 0 342.396 -1.169 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897197 787263668 /nfs/dbraw/zinc/26/36/68/787263668.db2.gz BELJGILMQLEYKB-RYUDHWBXSA-N 1 0 342.396 -1.169 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897198 787263467 /nfs/dbraw/zinc/26/34/67/787263467.db2.gz BELJGILMQLEYKB-VXGBXAGGSA-N 1 0 342.396 -1.169 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897308 787263405 /nfs/dbraw/zinc/26/34/05/787263405.db2.gz CHXHBDUDCHOSKV-GHMZBOCLSA-N 1 0 339.396 -1.042 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897310 787264966 /nfs/dbraw/zinc/26/49/66/787264966.db2.gz CHXHBDUDCHOSKV-MNOVXSKESA-N 1 0 339.396 -1.042 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897314 787264950 /nfs/dbraw/zinc/26/49/50/787264950.db2.gz CHXHBDUDCHOSKV-QWRGUYRKSA-N 1 0 339.396 -1.042 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897315 787265150 /nfs/dbraw/zinc/26/51/50/787265150.db2.gz CHXHBDUDCHOSKV-WDEREUQCSA-N 1 0 339.396 -1.042 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCCCNC(N)=O ZINC001134897575 787264852 /nfs/dbraw/zinc/26/48/52/787264852.db2.gz FIOBMVRNKCEOEG-NXEZZACHSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCCCNC(N)=O ZINC001134897576 787265117 /nfs/dbraw/zinc/26/51/17/787265117.db2.gz FIOBMVRNKCEOEG-UWVGGRQHSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCCCNC(N)=O ZINC001134897577 787265217 /nfs/dbraw/zinc/26/52/17/787265217.db2.gz FIOBMVRNKCEOEG-VHSXEESVSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCCCNC(N)=O)[NH2+]CC(=O)NC(N)=O ZINC001134897578 787264705 /nfs/dbraw/zinc/26/47/05/787264705.db2.gz FIOBMVRNKCEOEG-ZJUUUORDSA-N 1 0 344.416 -1.107 20 0 EAADRO COCC(=O)N[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)C(C)C ZINC001134910963 787264711 /nfs/dbraw/zinc/26/47/11/787264711.db2.gz CABDEBIRYKHTEI-ZDUSSCGKSA-N 1 0 343.428 -1.495 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(COC)on1 ZINC001134911015 787264858 /nfs/dbraw/zinc/26/48/58/787264858.db2.gz FCSACXHGBQTFLV-MRVPVSSYSA-N 1 0 327.341 -1.016 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(COC)on1 ZINC001134911016 787264580 /nfs/dbraw/zinc/26/45/80/787264580.db2.gz FCSACXHGBQTFLV-QMMMGPOBSA-N 1 0 327.341 -1.016 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(COC)on1 ZINC001134911041 787264490 /nfs/dbraw/zinc/26/44/90/787264490.db2.gz GCVIYXGSKXDTSD-UHFFFAOYSA-N 1 0 327.341 -1.014 20 0 EAADRO COCC(=O)N[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C(C)C ZINC001134911090 787264539 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COCC(=O)N[C@H](C(=O)NCC[NH2+]CC(=O)NC1CC1)C(C)C ZINC001134911223 787264790 /nfs/dbraw/zinc/26/47/90/787264790.db2.gz NZUQNMIKTGXDFM-AWEZNQCLSA-N 1 0 328.413 -1.242 20 0 EAADRO COCc1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)no1 ZINC001134911234 787265087 /nfs/dbraw/zinc/26/50/87/787265087.db2.gz OQNUUOMIMDTJEJ-UHFFFAOYSA-N 1 0 326.353 -1.001 20 0 EAADRO COCC(=O)N[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C(C)C ZINC001134911371 787265126 /nfs/dbraw/zinc/26/51/26/787265126.db2.gz VJFPHNXOXJCRBL-NSHDSACASA-N 1 0 331.373 -2.326 20 0 EAADRO COCC(=O)N[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C(C)C ZINC001134911406 787264402 /nfs/dbraw/zinc/26/44/02/787264402.db2.gz WSCFLACDUVTWFV-LBPRGKRZSA-N 1 0 337.442 -1.476 20 0 EAADRO COCC(=O)N[C@H](C(=O)NCC[NH2+]Cc1cnnn1C)C(C)C ZINC001134911434 787264806 /nfs/dbraw/zinc/26/48/06/787264806.db2.gz XXMGEHQMTATJSJ-ZDUSSCGKSA-N 1 0 326.401 -1.192 20 0 EAADRO COCC(=O)N[C@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)C(C)C ZINC001134911442 787264601 /nfs/dbraw/zinc/26/46/01/787264601.db2.gz 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Cn1cc(CC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)cn1 ZINC001134963255 787267261 /nfs/dbraw/zinc/26/72/61/787267261.db2.gz ADBSLSNESBINHQ-UHFFFAOYSA-N 1 0 331.442 -1.004 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001134963276 787268008 /nfs/dbraw/zinc/26/80/08/787268008.db2.gz BGHMJWXHZNIGBA-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001134963277 787268074 /nfs/dbraw/zinc/26/80/74/787268074.db2.gz BGHMJWXHZNIGBA-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963291 787267453 /nfs/dbraw/zinc/26/74/53/787267453.db2.gz BSQXOQWFUOJTMU-UHFFFAOYSA-N 1 0 331.442 -1.004 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001134963313 787268155 /nfs/dbraw/zinc/26/81/55/787268155.db2.gz CZQVBKDDHVVULC-JTQLQIEISA-N 1 0 344.441 -1.201 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001134963314 787268215 /nfs/dbraw/zinc/26/82/15/787268215.db2.gz 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CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963383 787267905 /nfs/dbraw/zinc/26/79/05/787267905.db2.gz HJOQOVOVDXWSSU-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963384 787267725 /nfs/dbraw/zinc/26/77/25/787267725.db2.gz HJOQOVOVDXWSSU-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134963404 787267530 /nfs/dbraw/zinc/26/75/30/787267530.db2.gz IIFKDRHVYQGNKR-UHFFFAOYSA-N 1 0 349.413 -2.428 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001134963445 787268235 /nfs/dbraw/zinc/26/82/35/787268235.db2.gz KNTSLDAYUDYNIA-MRVPVSSYSA-N 1 0 334.398 -2.175 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001134963446 787268047 /nfs/dbraw/zinc/26/80/47/787268047.db2.gz KNTSLDAYUDYNIA-QMMMGPOBSA-N 1 0 334.398 -2.175 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)n1 ZINC001134963483 787268185 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CN1CCC[C@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC001134963597 787267281 /nfs/dbraw/zinc/26/72/81/787267281.db2.gz QJIJBRGWKVUDRL-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC001134963598 787267749 /nfs/dbraw/zinc/26/77/49/787267749.db2.gz QJIJBRGWKVUDRL-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001134963677 787267579 /nfs/dbraw/zinc/26/75/79/787267579.db2.gz UUYSXCNDNDYKTH-UHFFFAOYSA-N 1 0 347.397 -1.353 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134963692 787268011 /nfs/dbraw/zinc/26/80/11/787268011.db2.gz VHLSXRCYPQFJME-UHFFFAOYSA-N 1 0 344.459 -2.431 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C(=O)NC1CC1 ZINC001134963696 787267788 /nfs/dbraw/zinc/26/77/88/787267788.db2.gz VPPDZYUBIHIDHZ-SECBINFHSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C(=O)NC1CC1 ZINC001134963697 787268216 /nfs/dbraw/zinc/26/82/16/787268216.db2.gz VPPDZYUBIHIDHZ-VIFPVBQESA-N 1 0 334.442 -1.313 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134963731 787267302 /nfs/dbraw/zinc/26/73/02/787267302.db2.gz XIWKZZCBKYHXNI-UHFFFAOYSA-N 1 0 348.425 -1.831 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC001134963732 787267419 /nfs/dbraw/zinc/26/74/19/787267419.db2.gz XJRYLXVJRYSSAL-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC001134963733 787268066 /nfs/dbraw/zinc/26/80/66/787268066.db2.gz XJRYLXVJRYSSAL-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963741 787268227 /nfs/dbraw/zinc/26/82/27/787268227.db2.gz XQAWODCSXGANRY-UHFFFAOYSA-N 1 0 325.431 -1.317 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001134963770 787267913 /nfs/dbraw/zinc/26/79/13/787267913.db2.gz ZLYKGUISZINGQI-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1C(F)(F)F ZINC001134973252 787266578 /nfs/dbraw/zinc/26/65/78/787266578.db2.gz JWTWJEMIYRUIQV-UHFFFAOYSA-N 1 0 337.262 -1.652 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c1C(F)(F)F ZINC001134973260 787266449 /nfs/dbraw/zinc/26/64/49/787266449.db2.gz KJHMVMXVCKERRU-LURJTMIESA-N 1 0 348.285 -1.042 20 0 EAADRO Cn1nnc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)c1C(F)(F)F ZINC001134973261 787265863 /nfs/dbraw/zinc/26/58/63/787265863.db2.gz KJHMVMXVCKERRU-ZCFIWIBFSA-N 1 0 348.285 -1.042 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001134977032 787267559 /nfs/dbraw/zinc/26/75/59/787267559.db2.gz BEQYOOWKGVTQPB-LBPRGKRZSA-N 1 0 334.442 -1.502 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977105 787267921 /nfs/dbraw/zinc/26/79/21/787267921.db2.gz FBJMAEWPGZKWNB-LBPRGKRZSA-N 1 0 336.458 -1.208 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001134977112 787267326 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EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001134977656 787269132 /nfs/dbraw/zinc/26/91/32/787269132.db2.gz YDMKMSAUESSCSE-ZDUSSCGKSA-N 1 0 348.469 -1.208 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977669 787269370 /nfs/dbraw/zinc/26/93/70/787269370.db2.gz YQFOKTOYPCSLBS-MNOVXSKESA-N 1 0 325.431 -1.727 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977670 787269505 /nfs/dbraw/zinc/26/95/05/787269505.db2.gz YQFOKTOYPCSLBS-QWRGUYRKSA-N 1 0 325.431 -1.727 20 0 EAADRO CC(C)c1nnnn1CC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001134998882 787269743 /nfs/dbraw/zinc/26/97/43/787269743.db2.gz DWRWAZOGPQRICC-UHFFFAOYSA-N 1 0 347.383 -1.069 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ccc2nnnn2c1)[NH2+]CC(=O)NC(N)=O ZINC001134998975 787268765 /nfs/dbraw/zinc/26/87/65/787268765.db2.gz NKDVKHDMXUAFTE-BDAKNGLRSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccc2nnnn2c1 ZINC001134998976 787269351 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CC(C)c1nnnn1CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135004899 787269634 /nfs/dbraw/zinc/26/96/34/787269634.db2.gz ZFDGKKIJMVWGNK-MRVPVSSYSA-N 1 0 326.361 -1.914 20 0 EAADRO CC(C)c1nnnn1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135004900 787269228 /nfs/dbraw/zinc/26/92/28/787269228.db2.gz ZFDGKKIJMVWGNK-QMMMGPOBSA-N 1 0 326.361 -1.914 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CN1CCCCS1(=O)=O ZINC001135008792 787268866 /nfs/dbraw/zinc/26/88/66/787268866.db2.gz QPXBHEBRCDUZLM-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCCCS1(=O)=O)[NH2+]CC(N)=O ZINC001135008793 787269478 /nfs/dbraw/zinc/26/94/78/787269478.db2.gz QPXBHEBRCDUZLM-MNOVXSKESA-N 1 0 334.442 -1.230 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN1CCCCS1(=O)=O ZINC001135008794 787269651 /nfs/dbraw/zinc/26/96/51/787269651.db2.gz QPXBHEBRCDUZLM-QWRGUYRKSA-N 1 0 334.442 -1.230 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN1CCCCS1(=O)=O ZINC001135008795 787269455 /nfs/dbraw/zinc/26/94/55/787269455.db2.gz QPXBHEBRCDUZLM-WDEREUQCSA-N 1 0 334.442 -1.230 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)cn1)[NH2+]CC(=O)NC(N)=O ZINC001135038700 787270956 /nfs/dbraw/zinc/27/09/56/787270956.db2.gz RUISNXBRYOAJSO-BDAKNGLRSA-N 1 0 338.368 -1.538 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)cn1 ZINC001135038702 787270263 /nfs/dbraw/zinc/27/02/63/787270263.db2.gz RUISNXBRYOAJSO-DTWKUNHWSA-N 1 0 338.368 -1.538 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)cn1 ZINC001135038703 787270883 /nfs/dbraw/zinc/27/08/83/787270883.db2.gz RUISNXBRYOAJSO-IUCAKERBSA-N 1 0 338.368 -1.538 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)cn1 ZINC001135038705 787270356 /nfs/dbraw/zinc/27/03/56/787270356.db2.gz RUISNXBRYOAJSO-RKDXNWHRSA-N 1 0 338.368 -1.538 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cn(C)c(=O)cn1 ZINC001135042955 787269707 /nfs/dbraw/zinc/26/97/07/787269707.db2.gz FAKOBMLODPWJRM-NXEZZACHSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cn(C)c(=O)cn1 ZINC001135042956 787269683 /nfs/dbraw/zinc/26/96/83/787269683.db2.gz FAKOBMLODPWJRM-UWVGGRQHSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cn(C)c(=O)cn1 ZINC001135042958 787269204 /nfs/dbraw/zinc/26/92/04/787269204.db2.gz FAKOBMLODPWJRM-VHSXEESVSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)cn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135042959 787269170 /nfs/dbraw/zinc/26/91/70/787269170.db2.gz FAKOBMLODPWJRM-ZJUUUORDSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)cn1 ZINC001135044008 787270093 /nfs/dbraw/zinc/27/00/93/787270093.db2.gz NJRPEADTRIPVOU-NXEZZACHSA-N 1 0 334.384 -1.010 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)cn1 ZINC001135044009 787270839 /nfs/dbraw/zinc/27/08/39/787270839.db2.gz NJRPEADTRIPVOU-UWVGGRQHSA-N 1 0 334.384 -1.010 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)cn1 ZINC001135044010 787270442 /nfs/dbraw/zinc/27/04/42/787270442.db2.gz NJRPEADTRIPVOU-VHSXEESVSA-N 1 0 334.384 -1.010 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)cn1)[NH2+]Cc1nnnn1C ZINC001135044011 787270761 /nfs/dbraw/zinc/27/07/61/787270761.db2.gz NJRPEADTRIPVOU-ZJUUUORDSA-N 1 0 334.384 -1.010 20 0 EAADRO O=C(CCc1cn[nH]c1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001135052470 787270726 /nfs/dbraw/zinc/27/07/26/787270726.db2.gz LJIQIQVVKXUMPL-GFCCVEGCSA-N 1 0 337.380 -1.442 20 0 EAADRO O=C(CCc1cn[nH]c1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001135052478 787270940 /nfs/dbraw/zinc/27/09/40/787270940.db2.gz LJIQIQVVKXUMPL-LBPRGKRZSA-N 1 0 337.380 -1.442 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]c1)C(=O)N(C)C ZINC001135058494 787270106 /nfs/dbraw/zinc/27/01/06/787270106.db2.gz SICDLNZNGFHWBB-LLVKDONJSA-N 1 0 338.412 -1.359 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]c1)C(=O)N(C)C ZINC001135058495 787270942 /nfs/dbraw/zinc/27/09/42/787270942.db2.gz SICDLNZNGFHWBB-NSHDSACASA-N 1 0 338.412 -1.359 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)CCc2cn[nH]c2)n(C)c1=O ZINC001135058500 787270483 /nfs/dbraw/zinc/27/04/83/787270483.db2.gz SLDQMAPTPQEZMN-UHFFFAOYSA-N 1 0 334.380 -1.354 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2nc(C)c[nH]2)CC1 ZINC001135061152 787270855 /nfs/dbraw/zinc/27/08/55/787270855.db2.gz PSDFVLCFCDDOOJ-UHFFFAOYSA-N 1 0 336.396 -1.272 20 0 EAADRO Cc1c[nH]c(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)n1 ZINC001135061458 787270868 /nfs/dbraw/zinc/27/08/68/787270868.db2.gz UYDHUDWFKRPDRV-UHFFFAOYSA-N 1 0 336.396 -1.239 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135061492 787270972 /nfs/dbraw/zinc/27/09/72/787270972.db2.gz VSVTXJDCNDLZIO-UHFFFAOYSA-N 1 0 347.441 -1.007 20 0 EAADRO Cc1c[nH]c(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC001135064437 787270933 /nfs/dbraw/zinc/27/09/33/787270933.db2.gz DDWZTCTYISXZHU-LLVKDONJSA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1c[nH]c(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC001135064438 787270977 /nfs/dbraw/zinc/27/09/77/787270977.db2.gz DDWZTCTYISXZHU-NSHDSACASA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1c[nH]c(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)n1 ZINC001135065143 787270580 /nfs/dbraw/zinc/27/05/80/787270580.db2.gz WGRNZDZFESKRHN-UHFFFAOYSA-N 1 0 336.396 -1.224 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135065161 787270781 /nfs/dbraw/zinc/27/07/81/787270781.db2.gz XEDCOZTXXPHMOU-JTQLQIEISA-N 1 0 340.384 -1.102 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135065162 787271004 /nfs/dbraw/zinc/27/10/04/787271004.db2.gz XEDCOZTXXPHMOU-SNVBAGLBSA-N 1 0 340.384 -1.102 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnn1C1CCOCC1 ZINC001135067775 787270967 /nfs/dbraw/zinc/27/09/67/787270967.db2.gz LWULFSZDPLFEAT-UHFFFAOYSA-N 1 0 338.368 -1.251 20 0 EAADRO CCn1cc(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135069355 787270951 /nfs/dbraw/zinc/27/09/51/787270951.db2.gz BMVYNCLOCNBDLI-NXEZZACHSA-N 1 0 339.400 -1.092 20 0 EAADRO CCn1cc(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135069356 787270875 /nfs/dbraw/zinc/27/08/75/787270875.db2.gz BMVYNCLOCNBDLI-UWVGGRQHSA-N 1 0 339.400 -1.092 20 0 EAADRO CCn1cc(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135069357 787270195 /nfs/dbraw/zinc/27/01/95/787270195.db2.gz BMVYNCLOCNBDLI-VHSXEESVSA-N 1 0 339.400 -1.092 20 0 EAADRO CCn1cc(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135069358 787270879 /nfs/dbraw/zinc/27/08/79/787270879.db2.gz BMVYNCLOCNBDLI-ZJUUUORDSA-N 1 0 339.400 -1.092 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135069403 787270980 /nfs/dbraw/zinc/27/09/80/787270980.db2.gz CFWUMELTTQYEQH-NEPJUHHUSA-N 1 0 340.428 -1.019 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135069404 787270917 /nfs/dbraw/zinc/27/09/17/787270917.db2.gz CFWUMELTTQYEQH-NWDGAFQWSA-N 1 0 340.428 -1.019 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135069405 787270459 /nfs/dbraw/zinc/27/04/59/787270459.db2.gz CFWUMELTTQYEQH-RYUDHWBXSA-N 1 0 340.428 -1.019 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135069406 787270320 /nfs/dbraw/zinc/27/03/20/787270320.db2.gz CFWUMELTTQYEQH-VXGBXAGGSA-N 1 0 340.428 -1.019 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CCn1ncn(C)c1=O ZINC001135069907 787270938 /nfs/dbraw/zinc/27/09/38/787270938.db2.gz HDPWZBFXGSSGHP-CHWSQXEVSA-N 1 0 343.428 -1.146 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1ncn(C)c1=O)[NH2+]CCOCCO ZINC001135069908 787270252 /nfs/dbraw/zinc/27/02/52/787270252.db2.gz HDPWZBFXGSSGHP-OLZOCXBDSA-N 1 0 343.428 -1.146 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CCn1ncn(C)c1=O ZINC001135069909 787270989 /nfs/dbraw/zinc/27/09/89/787270989.db2.gz HDPWZBFXGSSGHP-QWHCGFSZSA-N 1 0 343.428 -1.146 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CCn1ncn(C)c1=O ZINC001135069910 787270947 /nfs/dbraw/zinc/27/09/47/787270947.db2.gz HDPWZBFXGSSGHP-STQMWFEESA-N 1 0 343.428 -1.146 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1ncn(C)c1=O)[NH2+]CC(=O)N(C)C ZINC001135070051 787270048 /nfs/dbraw/zinc/27/00/48/787270048.db2.gz HTZBBYGRMRKGTD-NEPJUHHUSA-N 1 0 340.428 -1.067 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CCn1ncn(C)c1=O ZINC001135070052 787270648 /nfs/dbraw/zinc/27/06/48/787270648.db2.gz HTZBBYGRMRKGTD-NWDGAFQWSA-N 1 0 340.428 -1.067 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CCn1ncn(C)c1=O ZINC001135070053 787270971 /nfs/dbraw/zinc/27/09/71/787270971.db2.gz HTZBBYGRMRKGTD-RYUDHWBXSA-N 1 0 340.428 -1.067 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CCn1ncn(C)c1=O ZINC001135070054 787270312 /nfs/dbraw/zinc/27/03/12/787270312.db2.gz HTZBBYGRMRKGTD-VXGBXAGGSA-N 1 0 340.428 -1.067 20 0 EAADRO C[C@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001135071318 787270369 /nfs/dbraw/zinc/27/03/69/787270369.db2.gz DFQXAMWSNMWFCN-LLVKDONJSA-N 1 0 348.407 -1.108 20 0 EAADRO C[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001135071319 787270614 /nfs/dbraw/zinc/27/06/14/787270614.db2.gz DFQXAMWSNMWFCN-NSHDSACASA-N 1 0 348.407 -1.108 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135071791 787270990 /nfs/dbraw/zinc/27/09/90/787270990.db2.gz VVVSPUTXIIZWLA-GHMZBOCLSA-N 1 0 326.401 -1.409 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135071792 787270674 /nfs/dbraw/zinc/27/06/74/787270674.db2.gz VVVSPUTXIIZWLA-MNOVXSKESA-N 1 0 326.401 -1.409 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135071793 787270548 /nfs/dbraw/zinc/27/05/48/787270548.db2.gz VVVSPUTXIIZWLA-QWRGUYRKSA-N 1 0 326.401 -1.409 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135071794 787270701 /nfs/dbraw/zinc/27/07/01/787270701.db2.gz VVVSPUTXIIZWLA-WDEREUQCSA-N 1 0 326.401 -1.409 20 0 EAADRO C[C@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135080282 787270823 /nfs/dbraw/zinc/27/08/23/787270823.db2.gz PHXWFPKUGQNZCQ-LLVKDONJSA-N 1 0 336.396 -1.748 20 0 EAADRO C[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135080283 787270847 /nfs/dbraw/zinc/27/08/47/787270847.db2.gz PHXWFPKUGQNZCQ-NSHDSACASA-N 1 0 336.396 -1.748 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001135080778 787270993 /nfs/dbraw/zinc/27/09/93/787270993.db2.gz BGXHPKWUANNBAT-BDAKNGLRSA-N 1 0 348.429 -1.195 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nonc1C ZINC001135080779 787270930 /nfs/dbraw/zinc/27/09/30/787270930.db2.gz BGXHPKWUANNBAT-DTWKUNHWSA-N 1 0 348.429 -1.195 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nonc1C ZINC001135080780 787270902 /nfs/dbraw/zinc/27/09/02/787270902.db2.gz BGXHPKWUANNBAT-IUCAKERBSA-N 1 0 348.429 -1.195 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001135080781 787270502 /nfs/dbraw/zinc/27/05/02/787270502.db2.gz BGXHPKWUANNBAT-RKDXNWHRSA-N 1 0 348.429 -1.195 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ncnn1C ZINC001135080790 787270895 /nfs/dbraw/zinc/27/08/95/787270895.db2.gz BLYGUZOQQMMZCO-NXEZZACHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ncnn1C ZINC001135080791 787270863 /nfs/dbraw/zinc/27/08/63/787270863.db2.gz BLYGUZOQQMMZCO-UWVGGRQHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ncnn1C ZINC001135080792 787270960 /nfs/dbraw/zinc/27/09/60/787270960.db2.gz BLYGUZOQQMMZCO-VHSXEESVSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ncnn1C ZINC001135080793 787270975 /nfs/dbraw/zinc/27/09/75/787270975.db2.gz BLYGUZOQQMMZCO-ZJUUUORDSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001135080838 787270969 /nfs/dbraw/zinc/27/09/69/787270969.db2.gz CJRUZRMVMXGHJC-NXEZZACHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001135080839 787270684 /nfs/dbraw/zinc/27/06/84/787270684.db2.gz CJRUZRMVMXGHJC-UWVGGRQHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001135080840 787270912 /nfs/dbraw/zinc/27/09/12/787270912.db2.gz CJRUZRMVMXGHJC-VHSXEESVSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001135080841 787270909 /nfs/dbraw/zinc/27/09/09/787270909.db2.gz CJRUZRMVMXGHJC-ZJUUUORDSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccnn1C ZINC001135080878 787270572 /nfs/dbraw/zinc/27/05/72/787270572.db2.gz CUFIFMMPHQYNFN-GHMZBOCLSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccnn1C ZINC001135080879 787270979 /nfs/dbraw/zinc/27/09/79/787270979.db2.gz CUFIFMMPHQYNFN-MNOVXSKESA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccnn1C ZINC001135080880 787270899 /nfs/dbraw/zinc/27/08/99/787270899.db2.gz CUFIFMMPHQYNFN-QWRGUYRKSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccnn1C ZINC001135080881 787270472 /nfs/dbraw/zinc/27/04/72/787270472.db2.gz CUFIFMMPHQYNFN-WDEREUQCSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001135080882 787270920 /nfs/dbraw/zinc/27/09/20/787270920.db2.gz CVJFGLGOWBWMQI-GHMZBOCLSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001135080883 787270885 /nfs/dbraw/zinc/27/08/85/787270885.db2.gz CVJFGLGOWBWMQI-MNOVXSKESA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001135080884 787270771 /nfs/dbraw/zinc/27/07/71/787270771.db2.gz CVJFGLGOWBWMQI-QWRGUYRKSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001135080885 787270927 /nfs/dbraw/zinc/27/09/27/787270927.db2.gz CVJFGLGOWBWMQI-WDEREUQCSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001135080898 787270906 /nfs/dbraw/zinc/27/09/06/787270906.db2.gz DAMVPDOURMUGLX-GHMZBOCLSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001135080899 787270809 /nfs/dbraw/zinc/27/08/09/787270809.db2.gz DAMVPDOURMUGLX-MNOVXSKESA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001135080900 787270892 /nfs/dbraw/zinc/27/08/92/787270892.db2.gz DAMVPDOURMUGLX-QWRGUYRKSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001135080901 787270418 /nfs/dbraw/zinc/27/04/18/787270418.db2.gz DAMVPDOURMUGLX-WDEREUQCSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135080906 787270788 /nfs/dbraw/zinc/27/07/88/787270788.db2.gz DCXYIPFVVOWNOM-NXEZZACHSA-N 1 0 349.457 -1.808 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135080907 787270813 /nfs/dbraw/zinc/27/08/13/787270813.db2.gz DCXYIPFVVOWNOM-UWVGGRQHSA-N 1 0 349.457 -1.808 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135080908 787271911 /nfs/dbraw/zinc/27/19/11/787271911.db2.gz DCXYIPFVVOWNOM-VHSXEESVSA-N 1 0 349.457 -1.808 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135080909 787271681 /nfs/dbraw/zinc/27/16/81/787271681.db2.gz DCXYIPFVVOWNOM-ZJUUUORDSA-N 1 0 349.457 -1.808 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cncn1C ZINC001135081162 787271554 /nfs/dbraw/zinc/27/15/54/787271554.db2.gz HRSYMELHYZEKOM-GHMZBOCLSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cncn1C ZINC001135081163 787271831 /nfs/dbraw/zinc/27/18/31/787271831.db2.gz HRSYMELHYZEKOM-MNOVXSKESA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cncn1C ZINC001135081164 787271869 /nfs/dbraw/zinc/27/18/69/787271869.db2.gz HRSYMELHYZEKOM-QWRGUYRKSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cncn1C ZINC001135081165 787272082 /nfs/dbraw/zinc/27/20/82/787272082.db2.gz HRSYMELHYZEKOM-WDEREUQCSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001135081170 787271821 /nfs/dbraw/zinc/27/18/21/787271821.db2.gz HUBBRCXXJJXALJ-NXEZZACHSA-N 1 0 337.446 -1.999 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001135081171 787271939 /nfs/dbraw/zinc/27/19/39/787271939.db2.gz HUBBRCXXJJXALJ-UWVGGRQHSA-N 1 0 337.446 -1.999 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001135081172 787272025 /nfs/dbraw/zinc/27/20/25/787272025.db2.gz HUBBRCXXJJXALJ-VHSXEESVSA-N 1 0 337.446 -1.999 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001135081173 787271965 /nfs/dbraw/zinc/27/19/65/787271965.db2.gz HUBBRCXXJJXALJ-ZJUUUORDSA-N 1 0 337.446 -1.999 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135081258 787272058 /nfs/dbraw/zinc/27/20/58/787272058.db2.gz JGYJOXFODLWFBR-GHMZBOCLSA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135081259 787271837 /nfs/dbraw/zinc/27/18/37/787271837.db2.gz JGYJOXFODLWFBR-MNOVXSKESA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135081260 787271567 /nfs/dbraw/zinc/27/15/67/787271567.db2.gz JGYJOXFODLWFBR-QWRGUYRKSA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135081261 787272053 /nfs/dbraw/zinc/27/20/53/787272053.db2.gz JGYJOXFODLWFBR-WDEREUQCSA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nccn1C ZINC001135081758 787271913 /nfs/dbraw/zinc/27/19/13/787271913.db2.gz RNZGFPMZKRYWOI-GHMZBOCLSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nccn1C ZINC001135081759 787271611 /nfs/dbraw/zinc/27/16/11/787271611.db2.gz RNZGFPMZKRYWOI-MNOVXSKESA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nccn1C ZINC001135081760 787272040 /nfs/dbraw/zinc/27/20/40/787272040.db2.gz RNZGFPMZKRYWOI-QWRGUYRKSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nccn1C ZINC001135081761 787271814 /nfs/dbraw/zinc/27/18/14/787271814.db2.gz RNZGFPMZKRYWOI-WDEREUQCSA-N 1 0 346.457 -1.153 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001135081818 787271884 /nfs/dbraw/zinc/27/18/84/787271884.db2.gz SOGVONRMPHLPQE-BDAKNGLRSA-N 1 0 348.433 -2.363 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001135081819 787271924 /nfs/dbraw/zinc/27/19/24/787271924.db2.gz SOGVONRMPHLPQE-DTWKUNHWSA-N 1 0 348.433 -2.363 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001135081820 787271873 /nfs/dbraw/zinc/27/18/73/787271873.db2.gz SOGVONRMPHLPQE-IUCAKERBSA-N 1 0 348.433 -2.363 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001135081821 787271842 /nfs/dbraw/zinc/27/18/42/787271842.db2.gz SOGVONRMPHLPQE-RKDXNWHRSA-N 1 0 348.433 -2.363 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001135081942 787271457 /nfs/dbraw/zinc/27/14/57/787271457.db2.gz VLKJEUUWOZTVJU-NXEZZACHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001135081943 787271929 /nfs/dbraw/zinc/27/19/29/787271929.db2.gz VLKJEUUWOZTVJU-UWVGGRQHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001135081944 787271650 /nfs/dbraw/zinc/27/16/50/787271650.db2.gz VLKJEUUWOZTVJU-VHSXEESVSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001135081945 787272115 /nfs/dbraw/zinc/27/21/15/787272115.db2.gz VLKJEUUWOZTVJU-ZJUUUORDSA-N 1 0 347.445 -1.758 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082114 787271850 /nfs/dbraw/zinc/27/18/50/787271850.db2.gz XXEUZJXIDLQXDZ-NXEZZACHSA-N 1 0 337.446 -1.951 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082115 787272088 /nfs/dbraw/zinc/27/20/88/787272088.db2.gz XXEUZJXIDLQXDZ-UWVGGRQHSA-N 1 0 337.446 -1.951 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082116 787271700 /nfs/dbraw/zinc/27/17/00/787271700.db2.gz XXEUZJXIDLQXDZ-VHSXEESVSA-N 1 0 337.446 -1.951 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082117 787271945 /nfs/dbraw/zinc/27/19/45/787271945.db2.gz XXEUZJXIDLQXDZ-ZJUUUORDSA-N 1 0 337.446 -1.951 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ncccn1 ZINC001135082202 787272030 /nfs/dbraw/zinc/27/20/30/787272030.db2.gz ZCWBFMOMLJQSDV-GHMZBOCLSA-N 1 0 344.441 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ncccn1 ZINC001135082203 787271787 /nfs/dbraw/zinc/27/17/87/787271787.db2.gz ZCWBFMOMLJQSDV-MNOVXSKESA-N 1 0 344.441 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001135082204 787271971 /nfs/dbraw/zinc/27/19/71/787271971.db2.gz ZCWBFMOMLJQSDV-QWRGUYRKSA-N 1 0 344.441 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001135082205 787271688 /nfs/dbraw/zinc/27/16/88/787271688.db2.gz ZCWBFMOMLJQSDV-WDEREUQCSA-N 1 0 344.441 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nncn1C ZINC001135082226 787271807 /nfs/dbraw/zinc/27/18/07/787271807.db2.gz ZJVZWYKNLCUFQA-NXEZZACHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nncn1C ZINC001135082227 787271952 /nfs/dbraw/zinc/27/19/52/787271952.db2.gz ZJVZWYKNLCUFQA-UWVGGRQHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nncn1C ZINC001135082228 787271579 /nfs/dbraw/zinc/27/15/79/787271579.db2.gz ZJVZWYKNLCUFQA-VHSXEESVSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nncn1C ZINC001135082229 787271942 /nfs/dbraw/zinc/27/19/42/787271942.db2.gz ZJVZWYKNLCUFQA-ZJUUUORDSA-N 1 0 347.445 -1.758 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1)C(=O)N(C)C ZINC001135110320 787271920 /nfs/dbraw/zinc/27/19/20/787271920.db2.gz AUTUZHSKYLDXHA-LLVKDONJSA-N 1 0 339.400 -1.639 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1)C(=O)N(C)C ZINC001135110321 787271932 /nfs/dbraw/zinc/27/19/32/787271932.db2.gz AUTUZHSKYLDXHA-NSHDSACASA-N 1 0 339.400 -1.639 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110405 787271714 /nfs/dbraw/zinc/27/17/14/787271714.db2.gz CDSNPUFMERCLNI-UHFFFAOYSA-N 1 0 348.411 -1.139 20 0 EAADRO O=C(NCC[NH2+]CCOCCO)C1(n2cnnn2)CCOCC1 ZINC001135110415 787271962 /nfs/dbraw/zinc/27/19/62/787271962.db2.gz CHFSNUKKUMWNJX-UHFFFAOYSA-N 1 0 328.373 -2.107 20 0 EAADRO Cn1cncc1C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110482 787271905 /nfs/dbraw/zinc/27/19/05/787271905.db2.gz DFXGPLPTKFSUNJ-UHFFFAOYSA-N 1 0 334.384 -1.182 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110483 787271794 /nfs/dbraw/zinc/27/17/94/787271794.db2.gz DGFJLTUFCJGGLG-UHFFFAOYSA-N 1 0 339.400 -1.591 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110497 787271896 /nfs/dbraw/zinc/27/18/96/787271896.db2.gz DXZCLKNYWMMSMC-UHFFFAOYSA-N 1 0 342.400 -1.452 20 0 EAADRO Cn1cc(CC[NH2+]CCNC(=O)C2(n3cnnn3)CCOCC2)cn1 ZINC001135110634 787271727 /nfs/dbraw/zinc/27/17/27/787271727.db2.gz GSJBBAIKUFDKQZ-UHFFFAOYSA-N 1 0 348.411 -1.139 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110666 787271402 /nfs/dbraw/zinc/27/14/02/787271402.db2.gz HTLBPXWNRSJNBB-UHFFFAOYSA-N 1 0 349.399 -1.304 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110672 787271745 /nfs/dbraw/zinc/27/17/45/787271745.db2.gz HXPWIRLEIDTDMY-UHFFFAOYSA-N 1 0 339.400 -1.589 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCCNC1=O)C1(n2cnnn2)CCOCC1 ZINC001135110724 787273515 /nfs/dbraw/zinc/27/35/15/787273515.db2.gz KIKKVEVWTWDZQJ-LLVKDONJSA-N 1 0 337.384 -1.837 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCCNC1=O)C1(n2cnnn2)CCOCC1 ZINC001135110734 787273074 /nfs/dbraw/zinc/27/30/74/787273074.db2.gz KIKKVEVWTWDZQJ-NSHDSACASA-N 1 0 337.384 -1.837 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)C2(n3cnnn3)CCOCC2)C1=O ZINC001135110891 787272847 /nfs/dbraw/zinc/27/28/47/787272847.db2.gz NGKZPIWFZLFOOZ-LLVKDONJSA-N 1 0 337.384 -1.885 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)C2(n3cnnn3)CCOCC2)C1=O ZINC001135110892 787273451 /nfs/dbraw/zinc/27/34/51/787273451.db2.gz NGKZPIWFZLFOOZ-NSHDSACASA-N 1 0 337.384 -1.885 20 0 EAADRO O=C(NCC[NH2+]CCn1cncn1)C1(n2cnnn2)CCOCC1 ZINC001135110897 787273288 /nfs/dbraw/zinc/27/32/88/787273288.db2.gz NNSQTTQMEDPKEW-UHFFFAOYSA-N 1 0 335.372 -1.824 20 0 EAADRO Cn1cc(C[NH2+]CCNC(=O)C2(n3cnnn3)CCOCC2)cn1 ZINC001135111007 787273203 /nfs/dbraw/zinc/27/32/03/787273203.db2.gz OHHUJOUEGKOIEV-UHFFFAOYSA-N 1 0 334.384 -1.182 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111011 787273410 /nfs/dbraw/zinc/27/34/10/787273410.db2.gz OLPPMUONHUZCLA-UHFFFAOYSA-N 1 0 335.372 -1.787 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1)N1CCC1 ZINC001135111021 787272966 /nfs/dbraw/zinc/27/29/66/787272966.db2.gz OWWPSPIVBDDBPC-UHFFFAOYSA-N 1 0 337.384 -1.883 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111025 787273387 /nfs/dbraw/zinc/27/33/87/787273387.db2.gz PDRMMDMZUOQOBL-UHFFFAOYSA-N 1 0 339.400 -1.637 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111035 787273151 /nfs/dbraw/zinc/27/31/51/787273151.db2.gz PODXDMOULIKGOT-JTQLQIEISA-N 1 0 325.373 -1.981 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111036 787273030 /nfs/dbraw/zinc/27/30/30/787273030.db2.gz PODXDMOULIKGOT-SNVBAGLBSA-N 1 0 325.373 -1.981 20 0 EAADRO O=C(NCC[NH2+]CCn1cccn1)C1(n2cnnn2)CCOCC1 ZINC001135111080 787273066 /nfs/dbraw/zinc/27/30/66/787273066.db2.gz ROHHTJGSHJBIPR-UHFFFAOYSA-N 1 0 334.384 -1.219 20 0 EAADRO CC[C@H]([NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1)C(N)=O ZINC001135111208 787273579 /nfs/dbraw/zinc/27/35/79/787273579.db2.gz SUJMSMYMPUYDSO-JTQLQIEISA-N 1 0 325.373 -1.852 20 0 EAADRO CC[C@@H]([NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1)C(N)=O ZINC001135111209 787272791 /nfs/dbraw/zinc/27/27/91/787272791.db2.gz SUJMSMYMPUYDSO-SNVBAGLBSA-N 1 0 325.373 -1.852 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111250 787272711 /nfs/dbraw/zinc/27/27/11/787272711.db2.gz VDMBUSXCNYLBHI-LLVKDONJSA-N 1 0 328.373 -2.108 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111251 787273176 /nfs/dbraw/zinc/27/31/76/787273176.db2.gz VDMBUSXCNYLBHI-NSHDSACASA-N 1 0 328.373 -2.108 20 0 EAADRO Cn1nccc1C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111260 787273397 /nfs/dbraw/zinc/27/33/97/787273397.db2.gz VLDLMNSYRBLXLF-UHFFFAOYSA-N 1 0 334.384 -1.182 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1)NC1CC1 ZINC001135111288 787272949 /nfs/dbraw/zinc/27/29/49/787272949.db2.gz WTZISILWKMRNBP-UHFFFAOYSA-N 1 0 337.384 -1.837 20 0 EAADRO CN(C)C(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111307 787272986 /nfs/dbraw/zinc/27/29/86/787272986.db2.gz XIVRIKWPQSAVSP-UHFFFAOYSA-N 1 0 325.373 -2.027 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111382 787273536 /nfs/dbraw/zinc/27/35/36/787273536.db2.gz YFSMJJJBDLQDJW-UHFFFAOYSA-N 1 0 346.413 -2.071 20 0 EAADRO CCNC(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111454 787273225 /nfs/dbraw/zinc/27/32/25/787273225.db2.gz ZDPYEQYIRWGPLP-UHFFFAOYSA-N 1 0 325.373 -1.979 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111470 787272733 /nfs/dbraw/zinc/27/27/33/787272733.db2.gz ZYFQTAOJILNXPC-UHFFFAOYSA-N 1 0 340.344 -2.921 20 0 EAADRO Cn1[nH]c(CNCCNC(=O)c2cnn(CC[NH+](C)C)c2)nc1=O ZINC001135114597 787273442 /nfs/dbraw/zinc/27/34/42/787273442.db2.gz JDEDBHRTHQIMGD-UHFFFAOYSA-N 1 0 336.400 -1.614 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001135117705 787271622 /nfs/dbraw/zinc/27/16/22/787271622.db2.gz CTRQRTTYIBRLDO-GHMZBOCLSA-N 1 0 347.445 -1.795 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001135117706 787272110 /nfs/dbraw/zinc/27/21/10/787272110.db2.gz CTRQRTTYIBRLDO-MNOVXSKESA-N 1 0 347.445 -1.795 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001135117707 787271740 /nfs/dbraw/zinc/27/17/40/787271740.db2.gz CTRQRTTYIBRLDO-QWRGUYRKSA-N 1 0 347.445 -1.795 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001135117708 787271721 /nfs/dbraw/zinc/27/17/21/787271721.db2.gz CTRQRTTYIBRLDO-WDEREUQCSA-N 1 0 347.445 -1.795 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001135118285 787271968 /nfs/dbraw/zinc/27/19/68/787271968.db2.gz HDAUPMAXQHYJOI-NXEZZACHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001135118286 787272061 /nfs/dbraw/zinc/27/20/61/787272061.db2.gz HDAUPMAXQHYJOI-UWVGGRQHSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001135118287 787271601 /nfs/dbraw/zinc/27/16/01/787271601.db2.gz HDAUPMAXQHYJOI-VHSXEESVSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001135118288 787271473 /nfs/dbraw/zinc/27/14/73/787271473.db2.gz HDAUPMAXQHYJOI-ZJUUUORDSA-N 1 0 347.445 -1.758 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cccn1 ZINC001135119128 787274553 /nfs/dbraw/zinc/27/45/53/787274553.db2.gz MIQRNRQDMCVKBJ-NEPJUHHUSA-N 1 0 346.457 -1.190 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cccn1 ZINC001135119166 787274603 /nfs/dbraw/zinc/27/46/03/787274603.db2.gz MIQRNRQDMCVKBJ-NWDGAFQWSA-N 1 0 346.457 -1.190 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cccn1 ZINC001135119167 787274697 /nfs/dbraw/zinc/27/46/97/787274697.db2.gz MIQRNRQDMCVKBJ-RYUDHWBXSA-N 1 0 346.457 -1.190 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cccn1 ZINC001135119169 787274336 /nfs/dbraw/zinc/27/43/36/787274336.db2.gz MIQRNRQDMCVKBJ-VXGBXAGGSA-N 1 0 346.457 -1.190 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001135119594 787274797 /nfs/dbraw/zinc/27/47/97/787274797.db2.gz OVMWTFZLRSEOOB-GHMZBOCLSA-N 1 0 340.446 -2.078 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001135119595 787274291 /nfs/dbraw/zinc/27/42/91/787274291.db2.gz OVMWTFZLRSEOOB-MNOVXSKESA-N 1 0 340.446 -2.078 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001135119596 787274451 /nfs/dbraw/zinc/27/44/51/787274451.db2.gz OVMWTFZLRSEOOB-QWRGUYRKSA-N 1 0 340.446 -2.078 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001135119597 787274360 /nfs/dbraw/zinc/27/43/60/787274360.db2.gz OVMWTFZLRSEOOB-WDEREUQCSA-N 1 0 340.446 -2.078 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001135119982 787274768 /nfs/dbraw/zinc/27/47/68/787274768.db2.gz RGFHDBGMQLXJKM-BDAKNGLRSA-N 1 0 347.445 -1.460 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001135119983 787274329 /nfs/dbraw/zinc/27/43/29/787274329.db2.gz RGFHDBGMQLXJKM-DTWKUNHWSA-N 1 0 347.445 -1.460 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001135119984 787274010 /nfs/dbraw/zinc/27/40/10/787274010.db2.gz RGFHDBGMQLXJKM-IUCAKERBSA-N 1 0 347.445 -1.460 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001135119985 787274221 /nfs/dbraw/zinc/27/42/21/787274221.db2.gz RGFHDBGMQLXJKM-RKDXNWHRSA-N 1 0 347.445 -1.460 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001135120430 787274702 /nfs/dbraw/zinc/27/47/02/787274702.db2.gz WTFYPTTVRUELNE-BDAKNGLRSA-N 1 0 334.402 -1.504 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001135120431 787274284 /nfs/dbraw/zinc/27/42/84/787274284.db2.gz WTFYPTTVRUELNE-DTWKUNHWSA-N 1 0 334.402 -1.504 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001135120432 787274041 /nfs/dbraw/zinc/27/40/41/787274041.db2.gz WTFYPTTVRUELNE-IUCAKERBSA-N 1 0 334.402 -1.504 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001135120433 787274134 /nfs/dbraw/zinc/27/41/34/787274134.db2.gz WTFYPTTVRUELNE-RKDXNWHRSA-N 1 0 334.402 -1.504 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)S1(=O)=O ZINC001135125404 787272937 /nfs/dbraw/zinc/27/29/37/787272937.db2.gz ANNZKIYSOLYBOE-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)S1(=O)=O ZINC001135125405 787273235 /nfs/dbraw/zinc/27/32/35/787273235.db2.gz ANNZKIYSOLYBOE-LBPRGKRZSA-N 1 0 346.453 -1.358 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125424 787272722 /nfs/dbraw/zinc/27/27/22/787272722.db2.gz BBEVAXHMDPGRPE-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125425 787272992 /nfs/dbraw/zinc/27/29/92/787272992.db2.gz BBEVAXHMDPGRPE-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125427 787273436 /nfs/dbraw/zinc/27/34/36/787273436.db2.gz BCFYHPZWIJZNSB-GFCCVEGCSA-N 1 0 344.441 -1.154 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125428 787273107 /nfs/dbraw/zinc/27/31/07/787273107.db2.gz BCFYHPZWIJZNSB-LBPRGKRZSA-N 1 0 344.441 -1.154 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125430 787273056 /nfs/dbraw/zinc/27/30/56/787273056.db2.gz BDBBRQXTDBGXKD-LLVKDONJSA-N 1 0 330.414 -1.462 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125431 787273301 /nfs/dbraw/zinc/27/33/01/787273301.db2.gz BDBBRQXTDBGXKD-NSHDSACASA-N 1 0 330.414 -1.462 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125455 787273589 /nfs/dbraw/zinc/27/35/89/787273589.db2.gz BYWDDYOFVRYVSE-NEPJUHHUSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125456 787272810 /nfs/dbraw/zinc/27/28/10/787272810.db2.gz BYWDDYOFVRYVSE-NWDGAFQWSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125457 787273470 /nfs/dbraw/zinc/27/34/70/787273470.db2.gz BYWDDYOFVRYVSE-RYUDHWBXSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125458 787273503 /nfs/dbraw/zinc/27/35/03/787273503.db2.gz BYWDDYOFVRYVSE-VXGBXAGGSA-N 1 0 348.469 -1.113 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125475 787272743 /nfs/dbraw/zinc/27/27/43/787272743.db2.gz CPWWNEKNMDUGHB-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125476 787273315 /nfs/dbraw/zinc/27/33/15/787273315.db2.gz CPWWNEKNMDUGHB-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125509 787273363 /nfs/dbraw/zinc/27/33/63/787273363.db2.gz DMFPJZZOPDKEOR-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125510 787273213 /nfs/dbraw/zinc/27/32/13/787273213.db2.gz DMFPJZZOPDKEOR-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125511 787273510 /nfs/dbraw/zinc/27/35/10/787273510.db2.gz DMFPJZZOPDKEOR-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125512 787273497 /nfs/dbraw/zinc/27/34/97/787273497.db2.gz DMFPJZZOPDKEOR-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125530 787272684 /nfs/dbraw/zinc/27/26/84/787272684.db2.gz FFUGETNLUHRTCE-MRVPVSSYSA-N 1 0 335.386 -2.818 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125531 787273158 /nfs/dbraw/zinc/27/31/58/787273158.db2.gz FFUGETNLUHRTCE-QMMMGPOBSA-N 1 0 335.386 -2.818 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)S1(=O)=O ZINC001135125539 787273325 /nfs/dbraw/zinc/27/33/25/787273325.db2.gz FLZFRRJQZLLPDH-SECBINFHSA-N 1 0 327.428 -2.229 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)S1(=O)=O ZINC001135125540 787272857 /nfs/dbraw/zinc/27/28/57/787272857.db2.gz FLZFRRJQZLLPDH-VIFPVBQESA-N 1 0 327.428 -2.229 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125702 787273430 /nfs/dbraw/zinc/27/34/30/787273430.db2.gz HTUGDBWFTBEGIV-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125703 787273094 /nfs/dbraw/zinc/27/30/94/787273094.db2.gz HTUGDBWFTBEGIV-LBPRGKRZSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)S1(=O)=O ZINC001135125782 787273007 /nfs/dbraw/zinc/27/30/07/787273007.db2.gz KOPNGLDXKTZOSA-GFCCVEGCSA-N 1 0 342.421 -1.375 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)S1(=O)=O ZINC001135125783 787273565 /nfs/dbraw/zinc/27/35/65/787273565.db2.gz KOPNGLDXKTZOSA-LBPRGKRZSA-N 1 0 342.421 -1.375 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126021 787273483 /nfs/dbraw/zinc/27/34/83/787273483.db2.gz MAIHZMMIJQCILY-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126022 787273125 /nfs/dbraw/zinc/27/31/25/787273125.db2.gz MAIHZMMIJQCILY-NSHDSACASA-N 1 0 334.442 -1.406 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)nn1 ZINC001135126228 787272915 /nfs/dbraw/zinc/27/29/15/787272915.db2.gz OSXDHIBFKFWVBP-LLVKDONJSA-N 1 0 343.409 -1.275 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)nn1 ZINC001135126229 787273170 /nfs/dbraw/zinc/27/31/70/787273170.db2.gz OSXDHIBFKFWVBP-NSHDSACASA-N 1 0 343.409 -1.275 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)S1(=O)=O ZINC001135126254 787273243 /nfs/dbraw/zinc/27/32/43/787273243.db2.gz PJSYEYYHLXGFCV-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)S1(=O)=O ZINC001135126255 787273550 /nfs/dbraw/zinc/27/35/50/787273550.db2.gz PJSYEYYHLXGFCV-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126260 787273556 /nfs/dbraw/zinc/27/35/56/787273556.db2.gz PTOZCEKGFHEFDD-LLVKDONJSA-N 1 0 334.442 -1.407 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126261 787273464 /nfs/dbraw/zinc/27/34/64/787273464.db2.gz PTOZCEKGFHEFDD-NSHDSACASA-N 1 0 334.442 -1.407 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126292 787273340 /nfs/dbraw/zinc/27/33/40/787273340.db2.gz QODZGPXPGJJOTC-GFCCVEGCSA-N 1 0 329.426 -1.032 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126295 787273489 /nfs/dbraw/zinc/27/34/89/787273489.db2.gz QODZGPXPGJJOTC-LBPRGKRZSA-N 1 0 329.426 -1.032 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)S1(=O)=O ZINC001135126327 787273139 /nfs/dbraw/zinc/27/31/39/787273139.db2.gz RQCPBINXDSCGHU-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)S1(=O)=O ZINC001135126351 787273001 /nfs/dbraw/zinc/27/30/01/787273001.db2.gz RQCPBINXDSCGHU-NSHDSACASA-N 1 0 332.426 -1.652 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)S1(=O)=O ZINC001135126361 787273273 /nfs/dbraw/zinc/27/32/73/787273273.db2.gz RYCMNBFIIFIBKR-GFCCVEGCSA-N 1 0 346.453 -1.215 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)S1(=O)=O ZINC001135126366 787272755 /nfs/dbraw/zinc/27/27/55/787272755.db2.gz RYCMNBFIIFIBKR-LBPRGKRZSA-N 1 0 346.453 -1.215 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O)C1CC1 ZINC001135126603 787272888 /nfs/dbraw/zinc/27/28/88/787272888.db2.gz SWWZAMAIQYMJKP-LLVKDONJSA-N 1 0 332.426 -1.653 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C1CC1 ZINC001135126610 787273048 /nfs/dbraw/zinc/27/30/48/787273048.db2.gz SWWZAMAIQYMJKP-NSHDSACASA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)S1(=O)=O ZINC001135126732 787273037 /nfs/dbraw/zinc/27/30/37/787273037.db2.gz VDGOKAAUUKCZSY-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)S1(=O)=O ZINC001135126733 787273251 /nfs/dbraw/zinc/27/32/51/787273251.db2.gz VDGOKAAUUKCZSY-LBPRGKRZSA-N 1 0 346.453 -1.261 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)S1(=O)=O ZINC001135126743 787273347 /nfs/dbraw/zinc/27/33/47/787273347.db2.gz VPSZNTXCXWKLJG-LLVKDONJSA-N 1 0 332.426 -1.748 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)S1(=O)=O ZINC001135126744 787274150 /nfs/dbraw/zinc/27/41/50/787274150.db2.gz VPSZNTXCXWKLJG-NSHDSACASA-N 1 0 332.426 -1.748 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)S1(=O)=O ZINC001135127070 787274610 /nfs/dbraw/zinc/27/46/10/787274610.db2.gz XUKVZEOWNHGPDO-LLVKDONJSA-N 1 0 348.425 -2.415 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)S1(=O)=O ZINC001135127081 787274249 /nfs/dbraw/zinc/27/42/49/787274249.db2.gz XUKVZEOWNHGPDO-NSHDSACASA-N 1 0 348.425 -2.415 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)n1 ZINC001135127167 787274259 /nfs/dbraw/zinc/27/42/59/787274259.db2.gz ZBYWYJVXIQOONR-LLVKDONJSA-N 1 0 343.409 -1.275 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)n1 ZINC001135127168 787274572 /nfs/dbraw/zinc/27/45/72/787274572.db2.gz ZBYWYJVXIQOONR-NSHDSACASA-N 1 0 343.409 -1.275 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)S1(=O)=O ZINC001135129210 787274639 /nfs/dbraw/zinc/27/46/39/787274639.db2.gz BLUXSJFJFYVSJG-BDAKNGLRSA-N 1 0 332.382 -2.469 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)S1(=O)=O ZINC001135129211 787274278 /nfs/dbraw/zinc/27/42/78/787274278.db2.gz BLUXSJFJFYVSJG-DTWKUNHWSA-N 1 0 332.382 -2.469 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)S1(=O)=O ZINC001135129212 787274344 /nfs/dbraw/zinc/27/43/44/787274344.db2.gz BLUXSJFJFYVSJG-IUCAKERBSA-N 1 0 332.382 -2.469 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)S1(=O)=O ZINC001135129213 787274186 /nfs/dbraw/zinc/27/41/86/787274186.db2.gz BLUXSJFJFYVSJG-RKDXNWHRSA-N 1 0 332.382 -2.469 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135129268 787274245 /nfs/dbraw/zinc/27/42/45/787274245.db2.gz DKZMJTIDWROEFZ-GFCCVEGCSA-N 1 0 329.426 -1.298 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135129269 787274145 /nfs/dbraw/zinc/27/41/45/787274145.db2.gz DKZMJTIDWROEFZ-LBPRGKRZSA-N 1 0 329.426 -1.298 20 0 EAADRO Cn1cc(CC[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)cn1 ZINC001135129478 787274101 /nfs/dbraw/zinc/27/41/01/787274101.db2.gz HRJDBZAKHWYSCC-GFCCVEGCSA-N 1 0 329.426 -1.298 20 0 EAADRO Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)cn1 ZINC001135129479 787273965 /nfs/dbraw/zinc/27/39/65/787273965.db2.gz HRJDBZAKHWYSCC-LBPRGKRZSA-N 1 0 329.426 -1.298 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)S1(=O)=O ZINC001135129708 787274362 /nfs/dbraw/zinc/27/43/62/787274362.db2.gz MWHFBIOSJDIFOG-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)S1(=O)=O ZINC001135129709 787274339 /nfs/dbraw/zinc/27/43/39/787274339.db2.gz MWHFBIOSJDIFOG-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)S1(=O)=O ZINC001135129710 787274678 /nfs/dbraw/zinc/27/46/78/787274678.db2.gz MWHFBIOSJDIFOG-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)S1(=O)=O ZINC001135129711 787274025 /nfs/dbraw/zinc/27/40/25/787274025.db2.gz MWHFBIOSJDIFOG-WDEREUQCSA-N 1 0 332.426 -1.653 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)n1 ZINC001135130211 787274840 /nfs/dbraw/zinc/27/48/40/787274840.db2.gz ZOTRIEHOBLCCGL-GFCCVEGCSA-N 1 0 344.441 -1.365 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)n1 ZINC001135130212 787274370 /nfs/dbraw/zinc/27/43/70/787274370.db2.gz ZOTRIEHOBLCCGL-LBPRGKRZSA-N 1 0 344.441 -1.365 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135134828 787274527 /nfs/dbraw/zinc/27/45/27/787274527.db2.gz CLEGIULWCDBRSX-BDAKNGLRSA-N 1 0 349.413 -2.430 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135134829 787274108 /nfs/dbraw/zinc/27/41/08/787274108.db2.gz CLEGIULWCDBRSX-DTWKUNHWSA-N 1 0 349.413 -2.430 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135134830 787275344 /nfs/dbraw/zinc/27/53/44/787275344.db2.gz CLEGIULWCDBRSX-IUCAKERBSA-N 1 0 349.413 -2.430 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135134831 787275770 /nfs/dbraw/zinc/27/57/70/787275770.db2.gz CLEGIULWCDBRSX-RKDXNWHRSA-N 1 0 349.413 -2.430 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)S1(=O)=O ZINC001135134872 787275618 /nfs/dbraw/zinc/27/56/18/787275618.db2.gz FEXAIVFRFWFVFF-JTQLQIEISA-N 1 0 341.455 -1.839 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)S1(=O)=O ZINC001135134873 787275458 /nfs/dbraw/zinc/27/54/58/787275458.db2.gz FEXAIVFRFWFVFF-SNVBAGLBSA-N 1 0 341.455 -1.839 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)S1(=O)=O ZINC001135134878 787275674 /nfs/dbraw/zinc/27/56/74/787275674.db2.gz FMIYRMCLOYWGEO-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)S1(=O)=O ZINC001135134879 787275316 /nfs/dbraw/zinc/27/53/16/787275316.db2.gz FMIYRMCLOYWGEO-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)S1(=O)=O ZINC001135134913 787275481 /nfs/dbraw/zinc/27/54/81/787275481.db2.gz GLDPLDHQPFJZMS-LLVKDONJSA-N 1 0 332.426 -1.748 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)S1(=O)=O ZINC001135134914 787276184 /nfs/dbraw/zinc/27/61/84/787276184.db2.gz GLDPLDHQPFJZMS-NSHDSACASA-N 1 0 332.426 -1.748 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135134930 787275568 /nfs/dbraw/zinc/27/55/68/787275568.db2.gz HDQMGRRKXUNIRA-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135134931 787275835 /nfs/dbraw/zinc/27/58/35/787275835.db2.gz HDQMGRRKXUNIRA-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135134932 787275469 /nfs/dbraw/zinc/27/54/69/787275469.db2.gz HDQMGRRKXUNIRA-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135134933 787275878 /nfs/dbraw/zinc/27/58/78/787275878.db2.gz HDQMGRRKXUNIRA-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134948 787275356 /nfs/dbraw/zinc/27/53/56/787275356.db2.gz HXEBVZDMQBJXTP-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134949 787275370 /nfs/dbraw/zinc/27/53/70/787275370.db2.gz HXEBVZDMQBJXTP-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134950 787275273 /nfs/dbraw/zinc/27/52/73/787275273.db2.gz HXEBVZDMQBJXTP-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134951 787275447 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C[C@H]([NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)NC1CC1 ZINC001135135259 787275932 /nfs/dbraw/zinc/27/59/32/787275932.db2.gz QNRGKONYOPQBLT-GXSJLCMTSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)NC1CC1 ZINC001135135260 787276177 /nfs/dbraw/zinc/27/61/77/787276177.db2.gz QNRGKONYOPQBLT-KOLCDFICSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)NC1CC1 ZINC001135135261 787276145 /nfs/dbraw/zinc/27/61/45/787276145.db2.gz QNRGKONYOPQBLT-MWLCHTKSSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)NC1CC1 ZINC001135135262 787275551 /nfs/dbraw/zinc/27/55/51/787275551.db2.gz QNRGKONYOPQBLT-ONGXEEELSA-N 1 0 332.426 -1.607 20 0 EAADRO CN1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)S1(=O)=O ZINC001135135301 787276052 /nfs/dbraw/zinc/27/60/52/787276052.db2.gz ROADXVXXNKSMGJ-GHMZBOCLSA-N 1 0 342.425 -1.495 20 0 EAADRO CN1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)S1(=O)=O ZINC001135135302 787275265 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337.428 -1.380 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCNC(=O)C1 ZINC001135174092 787280442 /nfs/dbraw/zinc/28/04/42/787280442.db2.gz ALWWCGMTAQPOTJ-RYUDHWBXSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCNC(=O)C1 ZINC001135174093 787279872 /nfs/dbraw/zinc/27/98/72/787279872.db2.gz ALWWCGMTAQPOTJ-VXGBXAGGSA-N 1 0 337.428 -1.380 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135174418 787280156 /nfs/dbraw/zinc/28/01/56/787280156.db2.gz CHQARYKEVPUAQI-CHWSQXEVSA-N 1 0 341.456 -1.183 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135174419 787279888 /nfs/dbraw/zinc/27/98/88/787279888.db2.gz CHQARYKEVPUAQI-OLZOCXBDSA-N 1 0 341.456 -1.183 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135174420 787279988 /nfs/dbraw/zinc/27/99/88/787279988.db2.gz CHQARYKEVPUAQI-QWHCGFSZSA-N 1 0 341.456 -1.183 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 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ZINC001135175244 787280632 /nfs/dbraw/zinc/28/06/32/787280632.db2.gz HGXRBVYBFYZAAM-QWHCGFSZSA-N 1 0 330.429 -1.700 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1CCNC(=O)C1 ZINC001135175247 787280294 /nfs/dbraw/zinc/28/02/94/787280294.db2.gz HGXRBVYBFYZAAM-STQMWFEESA-N 1 0 330.429 -1.700 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1CCNC(=O)C1 ZINC001135175254 787280315 /nfs/dbraw/zinc/28/03/15/787280315.db2.gz HHXKNIUMRNOIJM-CHWSQXEVSA-N 1 0 339.440 -1.477 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]CC(=O)N1CCC1 ZINC001135175266 787280044 /nfs/dbraw/zinc/28/00/44/787280044.db2.gz HHXKNIUMRNOIJM-OLZOCXBDSA-N 1 0 339.440 -1.477 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1CCNC(=O)C1 ZINC001135175267 787279848 /nfs/dbraw/zinc/27/98/48/787279848.db2.gz HHXKNIUMRNOIJM-QWHCGFSZSA-N 1 0 339.440 -1.477 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1CCNC(=O)C1 ZINC001135175268 787280052 /nfs/dbraw/zinc/28/00/52/787280052.db2.gz HHXKNIUMRNOIJM-STQMWFEESA-N 1 0 339.440 -1.477 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)CN1CCNC(=O)C1 ZINC001135175468 787279843 /nfs/dbraw/zinc/27/98/43/787279843.db2.gz IKAYOWUFXHSODV-CHWSQXEVSA-N 1 0 337.428 -1.417 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]CCn1cncn1 ZINC001135175478 787280501 /nfs/dbraw/zinc/28/05/01/787280501.db2.gz IKAYOWUFXHSODV-OLZOCXBDSA-N 1 0 337.428 -1.417 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)CN1CCNC(=O)C1 ZINC001135175480 787279893 /nfs/dbraw/zinc/27/98/93/787279893.db2.gz IKAYOWUFXHSODV-QWHCGFSZSA-N 1 0 337.428 -1.417 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)CN1CCNC(=O)C1 ZINC001135175482 787280640 /nfs/dbraw/zinc/28/06/40/787280640.db2.gz IKAYOWUFXHSODV-STQMWFEESA-N 1 0 337.428 -1.417 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001135175545 787280031 /nfs/dbraw/zinc/28/00/31/787280031.db2.gz IZKGQAZOLMETOW-NEPJUHHUSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCNC(=O)C1 ZINC001135175546 787280186 /nfs/dbraw/zinc/28/01/86/787280186.db2.gz IZKGQAZOLMETOW-NWDGAFQWSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCNC(=O)C1 ZINC001135175547 787280618 /nfs/dbraw/zinc/28/06/18/787280618.db2.gz IZKGQAZOLMETOW-RYUDHWBXSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCNC(=O)C1 ZINC001135175548 787279925 /nfs/dbraw/zinc/27/99/25/787279925.db2.gz IZKGQAZOLMETOW-VXGBXAGGSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nncn1C ZINC001135175726 787279936 /nfs/dbraw/zinc/27/99/36/787279936.db2.gz LCQUZFIHEXDTPH-NEPJUHHUSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135175727 787280221 /nfs/dbraw/zinc/28/02/21/787280221.db2.gz LCQUZFIHEXDTPH-NWDGAFQWSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135175728 787280232 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20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176350 787279912 /nfs/dbraw/zinc/27/99/12/787279912.db2.gz NXUURLMHZLPOEN-NEPJUHHUSA-N 1 0 327.429 -1.573 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176351 787279850 /nfs/dbraw/zinc/27/98/50/787279850.db2.gz NXUURLMHZLPOEN-NWDGAFQWSA-N 1 0 327.429 -1.573 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176352 787279955 /nfs/dbraw/zinc/27/99/55/787279955.db2.gz NXUURLMHZLPOEN-RYUDHWBXSA-N 1 0 327.429 -1.573 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176353 787280013 /nfs/dbraw/zinc/28/00/13/787280013.db2.gz NXUURLMHZLPOEN-VXGBXAGGSA-N 1 0 327.429 -1.573 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ccn2nnnc2c1)[NH2+]CC(=O)NC(N)=O ZINC001135176542 787280656 /nfs/dbraw/zinc/28/06/56/787280656.db2.gz QTVWTJXLPIRAID-BDAKNGLRSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001135176543 787279914 /nfs/dbraw/zinc/27/99/14/787279914.db2.gz QTVWTJXLPIRAID-DTWKUNHWSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001135176544 787280096 /nfs/dbraw/zinc/28/00/96/787280096.db2.gz QTVWTJXLPIRAID-IUCAKERBSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001135176545 787280121 /nfs/dbraw/zinc/28/01/21/787280121.db2.gz QTVWTJXLPIRAID-RKDXNWHRSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]CC(=O)NC1CC1 ZINC001135176578 787280305 /nfs/dbraw/zinc/28/03/05/787280305.db2.gz RDRVXOPSKBQEKN-NEPJUHHUSA-N 1 0 339.440 -1.430 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1CCNC(=O)C1 ZINC001135176579 787280243 /nfs/dbraw/zinc/28/02/43/787280243.db2.gz RDRVXOPSKBQEKN-NWDGAFQWSA-N 1 0 339.440 -1.430 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1CCNC(=O)C1 ZINC001135176580 787280340 /nfs/dbraw/zinc/28/03/40/787280340.db2.gz RDRVXOPSKBQEKN-RYUDHWBXSA-N 1 0 339.440 -1.430 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1CCNC(=O)C1 ZINC001135176581 787280519 /nfs/dbraw/zinc/28/05/19/787280519.db2.gz RDRVXOPSKBQEKN-VXGBXAGGSA-N 1 0 339.440 -1.430 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]CCS(C)(=O)=O ZINC001135176654 787280457 /nfs/dbraw/zinc/28/04/57/787280457.db2.gz SFFPRDZSCSCLNV-NEPJUHHUSA-N 1 0 348.469 -1.664 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1CCNC(=O)C1 ZINC001135176655 787280179 /nfs/dbraw/zinc/28/01/79/787280179.db2.gz SFFPRDZSCSCLNV-NWDGAFQWSA-N 1 0 348.469 -1.664 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1CCNC(=O)C1 ZINC001135176656 787280087 /nfs/dbraw/zinc/28/00/87/787280087.db2.gz SFFPRDZSCSCLNV-RYUDHWBXSA-N 1 0 348.469 -1.664 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1CCNC(=O)C1 ZINC001135176657 787280511 /nfs/dbraw/zinc/28/05/11/787280511.db2.gz SFFPRDZSCSCLNV-VXGBXAGGSA-N 1 0 348.469 -1.664 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncnn1C ZINC001135176682 787280007 /nfs/dbraw/zinc/28/00/07/787280007.db2.gz SOLBJQSUQBDTFN-NEPJUHHUSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135176683 787279877 /nfs/dbraw/zinc/27/98/77/787279877.db2.gz SOLBJQSUQBDTFN-NWDGAFQWSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135176684 787279881 /nfs/dbraw/zinc/27/98/81/787279881.db2.gz SOLBJQSUQBDTFN-RYUDHWBXSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1ncnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135176685 787280403 /nfs/dbraw/zinc/28/04/03/787280403.db2.gz SOLBJQSUQBDTFN-VXGBXAGGSA-N 1 0 337.428 -1.380 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176734 787279943 /nfs/dbraw/zinc/27/99/43/787279943.db2.gz UGJQITUUWIIAAH-CHWSQXEVSA-N 1 0 341.456 -1.231 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176735 787279982 /nfs/dbraw/zinc/27/99/82/787279982.db2.gz UGJQITUUWIIAAH-OLZOCXBDSA-N 1 0 341.456 -1.231 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176736 787280076 /nfs/dbraw/zinc/28/00/76/787280076.db2.gz UGJQITUUWIIAAH-QWHCGFSZSA-N 1 0 341.456 -1.231 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176737 787280588 /nfs/dbraw/zinc/28/05/88/787280588.db2.gz UGJQITUUWIIAAH-STQMWFEESA-N 1 0 341.456 -1.231 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnnn1C ZINC001135176866 787279919 /nfs/dbraw/zinc/27/99/19/787279919.db2.gz WWRZRAWVLSGEBI-NEPJUHHUSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135176867 787279949 /nfs/dbraw/zinc/27/99/49/787279949.db2.gz WWRZRAWVLSGEBI-NWDGAFQWSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135176868 787279985 /nfs/dbraw/zinc/27/99/85/787279985.db2.gz WWRZRAWVLSGEBI-RYUDHWBXSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135176869 787279866 /nfs/dbraw/zinc/27/98/66/787279866.db2.gz WWRZRAWVLSGEBI-VXGBXAGGSA-N 1 0 337.428 -1.380 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001135176894 787280465 /nfs/dbraw/zinc/28/04/65/787280465.db2.gz XLJGBLJUKPDQNO-NXEZZACHSA-N 1 0 342.400 -2.514 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001135176895 787280533 /nfs/dbraw/zinc/28/05/33/787280533.db2.gz XLJGBLJUKPDQNO-UWVGGRQHSA-N 1 0 342.400 -2.514 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001135176896 787279832 /nfs/dbraw/zinc/27/98/32/787279832.db2.gz XLJGBLJUKPDQNO-VHSXEESVSA-N 1 0 342.400 -2.514 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)[NH2+]CC(=O)NC(N)=O ZINC001135176897 787279990 /nfs/dbraw/zinc/27/99/90/787279990.db2.gz XLJGBLJUKPDQNO-ZJUUUORDSA-N 1 0 342.400 -2.514 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001135177010 787280140 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CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001135201732 787281364 /nfs/dbraw/zinc/28/13/64/787281364.db2.gz MUKQLHDWTQAJKT-UHFFFAOYSA-N 1 0 341.412 -1.013 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCNC(=O)C1CCC1 ZINC001135201821 787281575 /nfs/dbraw/zinc/28/15/75/787281575.db2.gz PSYQNIVHGLMARF-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCNC(=O)C1CCC1 ZINC001135201822 787281288 /nfs/dbraw/zinc/28/12/88/787281288.db2.gz PSYQNIVHGLMARF-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCCN1C(C)=O ZINC001135201872 787281731 /nfs/dbraw/zinc/28/17/31/787281731.db2.gz SCDKXZPJLWOWLO-GFCCVEGCSA-N 1 0 341.412 -1.061 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCCN1C(C)=O ZINC001135201873 787281740 /nfs/dbraw/zinc/28/17/40/787281740.db2.gz SCDKXZPJLWOWLO-LBPRGKRZSA-N 1 0 341.412 -1.061 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCNC(=O)C1CCC1)C(=O)NC(N)=O ZINC001135201882 787281820 /nfs/dbraw/zinc/28/18/20/787281820.db2.gz SLGYDZPGJMXGCL-SECBINFHSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCNC(=O)C1CCC1)C(=O)NC(N)=O ZINC001135201883 787281636 /nfs/dbraw/zinc/28/16/36/787281636.db2.gz SLGYDZPGJMXGCL-VIFPVBQESA-N 1 0 327.385 -1.418 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001135201994 787281385 /nfs/dbraw/zinc/28/13/85/787281385.db2.gz YDFQPNDASOEBBG-UHFFFAOYSA-N 1 0 327.385 -1.403 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCNC(=O)C1CCC1 ZINC001135202037 787281346 /nfs/dbraw/zinc/28/13/46/787281346.db2.gz ZMFZWFYPSZXNMM-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO CC(=O)NC1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CCCC1 ZINC001135205732 787281724 /nfs/dbraw/zinc/28/17/24/787281724.db2.gz DBMMNMVVIZSMMU-UHFFFAOYSA-N 1 0 334.442 -1.310 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135205783 787281533 /nfs/dbraw/zinc/28/15/33/787281533.db2.gz GDOMPMZDPTVXCD-UHFFFAOYSA-N 1 0 336.414 -1.637 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135205841 787281685 /nfs/dbraw/zinc/28/16/85/787281685.db2.gz JEUWYODRLGGKNY-UHFFFAOYSA-N 1 0 337.442 -1.330 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001135205874 787281228 /nfs/dbraw/zinc/28/12/28/787281228.db2.gz KUAIHPHXVDXQQM-UHFFFAOYSA-N 1 0 343.409 -1.054 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001135205938 787281799 /nfs/dbraw/zinc/28/17/99/787281799.db2.gz NWXJUXHUILRHHB-UHFFFAOYSA-N 1 0 349.453 -1.188 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001135205983 787281620 /nfs/dbraw/zinc/28/16/20/787281620.db2.gz QLPUROHEMGDTFD-JTQLQIEISA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001135205984 787280945 /nfs/dbraw/zinc/28/09/45/787280945.db2.gz QLPUROHEMGDTFD-SNVBAGLBSA-N 1 0 341.412 -1.015 20 0 EAADRO CC(=O)NC1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CCCC1 ZINC001135206019 787281318 /nfs/dbraw/zinc/28/13/18/787281318.db2.gz RQQRUAYTODLJBY-SECBINFHSA-N 1 0 327.385 -1.276 20 0 EAADRO CC(=O)NC1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CCCC1 ZINC001135206020 787281095 /nfs/dbraw/zinc/28/10/95/787281095.db2.gz RQQRUAYTODLJBY-VIFPVBQESA-N 1 0 327.385 -1.276 20 0 EAADRO CC(=O)NC1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCCC1 ZINC001135206081 787281400 /nfs/dbraw/zinc/28/14/00/787281400.db2.gz VBIUCTCFZSQHEZ-UHFFFAOYSA-N 1 0 339.396 -1.307 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209096 787281662 /nfs/dbraw/zinc/28/16/62/787281662.db2.gz BIFFUDAAMDSCRA-UHFFFAOYSA-N 1 0 328.456 -1.048 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135209172 787281245 /nfs/dbraw/zinc/28/12/45/787281245.db2.gz FAINKEYIEWWFGL-UHFFFAOYSA-N 1 0 348.425 -2.525 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209186 787281629 /nfs/dbraw/zinc/28/16/29/787281629.db2.gz FRVIQMZOHITIJC-SECBINFHSA-N 1 0 336.414 -1.639 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209187 787281751 /nfs/dbraw/zinc/28/17/51/787281751.db2.gz FRVIQMZOHITIJC-VIFPVBQESA-N 1 0 336.414 -1.639 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001135209202 787281828 /nfs/dbraw/zinc/28/18/28/787281828.db2.gz GGURTMBMSDKZJO-LLVKDONJSA-N 1 0 340.467 -1.048 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001135209203 787281737 /nfs/dbraw/zinc/28/17/37/787281737.db2.gz GGURTMBMSDKZJO-NSHDSACASA-N 1 0 340.467 -1.048 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135209206 787281005 /nfs/dbraw/zinc/28/10/05/787281005.db2.gz GMALAVGQZZYNIS-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135209209 787280971 /nfs/dbraw/zinc/28/09/71/787280971.db2.gz GNOYPETYQXVBAV-LBPRGKRZSA-N 1 0 349.453 -1.500 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001135209263 787281312 /nfs/dbraw/zinc/28/13/12/787281312.db2.gz IRKLSHCDZJMARP-UHFFFAOYSA-N 1 0 348.425 -1.541 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O)CCO1 ZINC001135209355 787281856 /nfs/dbraw/zinc/28/18/56/787281856.db2.gz LHPVBMWHMTVFKK-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O)CCO1 ZINC001135209357 787280904 /nfs/dbraw/zinc/28/09/04/787280904.db2.gz LHPVBMWHMTVFKK-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209402 787281018 /nfs/dbraw/zinc/28/10/18/787281018.db2.gz MYRHFGLFWKUPQB-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135209438 787281866 /nfs/dbraw/zinc/28/18/66/787281866.db2.gz NRFICWKVRCGIPW-UHFFFAOYSA-N 1 0 334.398 -1.931 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001135209450 787281306 /nfs/dbraw/zinc/28/13/06/787281306.db2.gz NYLGYEZNBJMRNP-UHFFFAOYSA-N 1 0 333.410 -1.334 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209519 787280936 /nfs/dbraw/zinc/28/09/36/787280936.db2.gz PSKOBLOXZWAFJP-UHFFFAOYSA-N 1 0 337.442 -1.330 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001135209529 787281012 /nfs/dbraw/zinc/28/10/12/787281012.db2.gz QKSQFWHJXWYJCM-GFCCVEGCSA-N 1 0 349.453 -1.188 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001135209530 787281273 /nfs/dbraw/zinc/28/12/73/787281273.db2.gz QKSQFWHJXWYJCM-LBPRGKRZSA-N 1 0 349.453 -1.188 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCCS(C)(=O)=O)S(C)(=O)=O ZINC001135209535 787281410 /nfs/dbraw/zinc/28/14/10/787281410.db2.gz QPVCGLOVKJOSIE-UHFFFAOYSA-N 1 0 343.471 -1.592 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001135209547 787281088 /nfs/dbraw/zinc/28/10/88/787281088.db2.gz QZERGISLPCUMRX-GFCCVEGCSA-N 1 0 332.426 -1.225 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001135209548 787281081 /nfs/dbraw/zinc/28/10/81/787281081.db2.gz QZERGISLPCUMRX-LBPRGKRZSA-N 1 0 332.426 -1.225 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209558 787280957 /nfs/dbraw/zinc/28/09/57/787280957.db2.gz RQEFWUDNHAQWOA-GFCCVEGCSA-N 1 0 340.442 -1.459 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209559 787281175 /nfs/dbraw/zinc/28/11/75/787281175.db2.gz RQEFWUDNHAQWOA-LBPRGKRZSA-N 1 0 340.442 -1.459 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001135209571 787281502 /nfs/dbraw/zinc/28/15/02/787281502.db2.gz SHZJCBUEWLHKGC-GFCCVEGCSA-N 1 0 349.453 -1.330 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001135209572 787281261 /nfs/dbraw/zinc/28/12/61/787281261.db2.gz SHZJCBUEWLHKGC-LBPRGKRZSA-N 1 0 349.453 -1.330 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001135209695 787281491 /nfs/dbraw/zinc/28/14/91/787281491.db2.gz WCEGAJNQYYCCBR-UHFFFAOYSA-N 1 0 348.425 -1.495 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209700 787281584 /nfs/dbraw/zinc/28/15/84/787281584.db2.gz WIPFYZSKMIWMQU-UHFFFAOYSA-N 1 0 337.442 -1.330 20 0 EAADRO CS(=O)(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001135209702 787281564 /nfs/dbraw/zinc/28/15/64/787281564.db2.gz WKUHHEWQAFOTBX-UHFFFAOYSA-N 1 0 335.426 -1.624 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135213958 787282613 /nfs/dbraw/zinc/28/26/13/787282613.db2.gz DOSMHBRXEUYGRL-GHMZBOCLSA-N 1 0 341.416 -1.151 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135213959 787282386 /nfs/dbraw/zinc/28/23/86/787282386.db2.gz DOSMHBRXEUYGRL-MNOVXSKESA-N 1 0 341.416 -1.151 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135213960 787282811 /nfs/dbraw/zinc/28/28/11/787282811.db2.gz DOSMHBRXEUYGRL-QWRGUYRKSA-N 1 0 341.416 -1.151 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135213961 787283052 /nfs/dbraw/zinc/28/30/52/787283052.db2.gz DOSMHBRXEUYGRL-WDEREUQCSA-N 1 0 341.416 -1.151 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214306 787282781 /nfs/dbraw/zinc/28/27/81/787282781.db2.gz IYRKUHWRWXIZGA-NXEZZACHSA-N 1 0 347.445 -1.364 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214307 787283032 /nfs/dbraw/zinc/28/30/32/787283032.db2.gz IYRKUHWRWXIZGA-UWVGGRQHSA-N 1 0 347.445 -1.364 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214308 787283042 /nfs/dbraw/zinc/28/30/42/787283042.db2.gz IYRKUHWRWXIZGA-VHSXEESVSA-N 1 0 347.445 -1.364 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214309 787282647 /nfs/dbraw/zinc/28/26/47/787282647.db2.gz IYRKUHWRWXIZGA-ZJUUUORDSA-N 1 0 347.445 -1.364 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214590 787282925 /nfs/dbraw/zinc/28/29/25/787282925.db2.gz NPCPRDSLLQZKTP-BDAKNGLRSA-N 1 0 340.388 -1.458 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214591 787282571 /nfs/dbraw/zinc/28/25/71/787282571.db2.gz NPCPRDSLLQZKTP-DTWKUNHWSA-N 1 0 340.388 -1.458 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214592 787282987 /nfs/dbraw/zinc/28/29/87/787282987.db2.gz NPCPRDSLLQZKTP-IUCAKERBSA-N 1 0 340.388 -1.458 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214593 787282819 /nfs/dbraw/zinc/28/28/19/787282819.db2.gz NPCPRDSLLQZKTP-RKDXNWHRSA-N 1 0 340.388 -1.458 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nnn(C)n1)[NH2+]CCNS(C)(=O)=O ZINC001135214630 787283056 /nfs/dbraw/zinc/28/30/56/787283056.db2.gz OEYUIGDVGWVPPM-BDAKNGLRSA-N 1 0 333.418 -1.754 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001135214631 787282788 /nfs/dbraw/zinc/28/27/88/787282788.db2.gz OEYUIGDVGWVPPM-DTWKUNHWSA-N 1 0 333.418 -1.754 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001135214632 787282932 /nfs/dbraw/zinc/28/29/32/787282932.db2.gz OEYUIGDVGWVPPM-IUCAKERBSA-N 1 0 333.418 -1.754 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001135214633 787282371 /nfs/dbraw/zinc/28/23/71/787282371.db2.gz OEYUIGDVGWVPPM-RKDXNWHRSA-N 1 0 333.418 -1.754 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214846 787283033 /nfs/dbraw/zinc/28/30/33/787283033.db2.gz REBANSQEXFVQHN-HTQZYQBOSA-N 1 0 326.361 -1.848 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214847 787282478 /nfs/dbraw/zinc/28/24/78/787282478.db2.gz REBANSQEXFVQHN-JGVFFNPUSA-N 1 0 326.361 -1.848 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214848 787282257 /nfs/dbraw/zinc/28/22/57/787282257.db2.gz REBANSQEXFVQHN-SFYZADRCSA-N 1 0 326.361 -1.848 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214849 787282803 /nfs/dbraw/zinc/28/28/03/787282803.db2.gz REBANSQEXFVQHN-YUMQZZPRSA-N 1 0 326.361 -1.848 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135215114 787283119 /nfs/dbraw/zinc/28/31/19/787283119.db2.gz VZPABDZQGYBDNU-GHMZBOCLSA-N 1 0 341.416 -1.151 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135215115 787282877 /nfs/dbraw/zinc/28/28/77/787282877.db2.gz VZPABDZQGYBDNU-MNOVXSKESA-N 1 0 341.416 -1.151 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135215116 787283014 /nfs/dbraw/zinc/28/30/14/787283014.db2.gz VZPABDZQGYBDNU-QWRGUYRKSA-N 1 0 341.416 -1.151 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135215117 787282999 /nfs/dbraw/zinc/28/29/99/787282999.db2.gz VZPABDZQGYBDNU-WDEREUQCSA-N 1 0 341.416 -1.151 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001135215130 787283027 /nfs/dbraw/zinc/28/30/27/787283027.db2.gz WIQBXZIMBQYQOB-NXEZZACHSA-N 1 0 347.445 -1.412 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001135215131 787283064 /nfs/dbraw/zinc/28/30/64/787283064.db2.gz WIQBXZIMBQYQOB-UWVGGRQHSA-N 1 0 347.445 -1.412 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001135215132 787283047 /nfs/dbraw/zinc/28/30/47/787283047.db2.gz WIQBXZIMBQYQOB-VHSXEESVSA-N 1 0 347.445 -1.412 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nnn(C)n1)[NH2+]CCN(C)S(C)(=O)=O ZINC001135215133 787282900 /nfs/dbraw/zinc/28/29/00/787282900.db2.gz WIQBXZIMBQYQOB-ZJUUUORDSA-N 1 0 347.445 -1.412 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nnn(C)n1)[NH2+]CCN1C(=O)CNC1=O ZINC001135215234 787283049 /nfs/dbraw/zinc/28/30/49/787283049.db2.gz XWUBKEGVCNBTNS-BDAKNGLRSA-N 1 0 338.372 -1.752 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1nnn(C)n1 ZINC001135215235 787283017 /nfs/dbraw/zinc/28/30/17/787283017.db2.gz XWUBKEGVCNBTNS-DTWKUNHWSA-N 1 0 338.372 -1.752 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1nnn(C)n1 ZINC001135215236 787283087 /nfs/dbraw/zinc/28/30/87/787283087.db2.gz XWUBKEGVCNBTNS-IUCAKERBSA-N 1 0 338.372 -1.752 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1nnn(C)n1 ZINC001135215237 787282675 /nfs/dbraw/zinc/28/26/75/787282675.db2.gz XWUBKEGVCNBTNS-RKDXNWHRSA-N 1 0 338.372 -1.752 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1nnn(C)n1 ZINC001135215242 787283151 /nfs/dbraw/zinc/28/31/51/787283151.db2.gz YAAHVAJABTXLQN-GHMZBOCLSA-N 1 0 339.400 -1.445 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nnn(C)n1)[NH2+]CC(=O)N1CCOCC1 ZINC001135215243 787283131 /nfs/dbraw/zinc/28/31/31/787283131.db2.gz YAAHVAJABTXLQN-MNOVXSKESA-N 1 0 339.400 -1.445 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1nnn(C)n1 ZINC001135215244 787282993 /nfs/dbraw/zinc/28/29/93/787282993.db2.gz YAAHVAJABTXLQN-QWRGUYRKSA-N 1 0 339.400 -1.445 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1nnn(C)n1 ZINC001135215245 787282990 /nfs/dbraw/zinc/28/29/90/787282990.db2.gz YAAHVAJABTXLQN-WDEREUQCSA-N 1 0 339.400 -1.445 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135215326 787283154 /nfs/dbraw/zinc/28/31/54/787283154.db2.gz ZABGSQYYJZWEME-GHMZBOCLSA-N 1 0 341.416 -1.151 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135215327 787283067 /nfs/dbraw/zinc/28/30/67/787283067.db2.gz ZABGSQYYJZWEME-MNOVXSKESA-N 1 0 341.416 -1.151 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135215328 787283023 /nfs/dbraw/zinc/28/30/23/787283023.db2.gz ZABGSQYYJZWEME-QWRGUYRKSA-N 1 0 341.416 -1.151 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135215329 787282866 /nfs/dbraw/zinc/28/28/66/787282866.db2.gz ZABGSQYYJZWEME-WDEREUQCSA-N 1 0 341.416 -1.151 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2c(c1)COC2)N1CCNC(=O)C1 ZINC001135216621 787282952 /nfs/dbraw/zinc/28/29/52/787282952.db2.gz XCPLUPJTFNHOPS-UHFFFAOYSA-N 1 0 346.387 -1.005 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1)NC[C@@H]1CCCO1 ZINC001135219040 787281070 /nfs/dbraw/zinc/28/10/70/787281070.db2.gz NANOEAIHBWZJHC-NEPJUHHUSA-N 1 0 326.397 -1.344 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)NC[C@H]1CCCO1 ZINC001135219041 787281164 /nfs/dbraw/zinc/28/11/64/787281164.db2.gz NANOEAIHBWZJHC-NWDGAFQWSA-N 1 0 326.397 -1.344 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)NC[C@@H]1CCCO1 ZINC001135219042 787281597 /nfs/dbraw/zinc/28/15/97/787281597.db2.gz NANOEAIHBWZJHC-RYUDHWBXSA-N 1 0 326.397 -1.344 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1)NC[C@H]1CCCO1 ZINC001135219043 787281105 /nfs/dbraw/zinc/28/11/05/787281105.db2.gz NANOEAIHBWZJHC-VXGBXAGGSA-N 1 0 326.397 -1.344 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135219052 787281746 /nfs/dbraw/zinc/28/17/46/787281746.db2.gz NEHRYERQUNEFDO-NEPJUHHUSA-N 1 0 326.397 -1.656 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135219053 787280923 /nfs/dbraw/zinc/28/09/23/787280923.db2.gz NEHRYERQUNEFDO-RYUDHWBXSA-N 1 0 326.397 -1.656 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)c1nnn(C)n1 ZINC001135219126 787281479 /nfs/dbraw/zinc/28/14/79/787281479.db2.gz QTDJIMLYKMNAMJ-NXEZZACHSA-N 1 0 337.384 -1.154 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)c1nnn(C)n1 ZINC001135219127 787281512 /nfs/dbraw/zinc/28/15/12/787281512.db2.gz QTDJIMLYKMNAMJ-UWVGGRQHSA-N 1 0 337.384 -1.154 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)c1nnn(C)n1 ZINC001135219128 787280941 /nfs/dbraw/zinc/28/09/41/787280941.db2.gz QTDJIMLYKMNAMJ-VHSXEESVSA-N 1 0 337.384 -1.154 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nnn(C)n1)[NH2+]CCN1C(=O)CCC1=O ZINC001135219129 787281749 /nfs/dbraw/zinc/28/17/49/787281749.db2.gz QTDJIMLYKMNAMJ-ZJUUUORDSA-N 1 0 337.384 -1.154 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219332 787281040 /nfs/dbraw/zinc/28/10/40/787281040.db2.gz OXVIOSXOYVMSAY-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219333 787281421 /nfs/dbraw/zinc/28/14/21/787281421.db2.gz OXVIOSXOYVMSAY-NSHDSACASA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CCC(=O)N2)CCO1 ZINC001135219558 787281331 /nfs/dbraw/zinc/28/13/31/787281331.db2.gz RFEOXJAMGAGHCI-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CCC(=O)N2)CCO1 ZINC001135219600 787281056 /nfs/dbraw/zinc/28/10/56/787281056.db2.gz RFEOXJAMGAGHCI-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CCC(=O)N2)CCO1 ZINC001135219601 787281765 /nfs/dbraw/zinc/28/17/65/787281765.db2.gz RFEOXJAMGAGHCI-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CCC(=O)N2)CCO1 ZINC001135219603 787281193 /nfs/dbraw/zinc/28/11/93/787281193.db2.gz RFEOXJAMGAGHCI-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219646 787281555 /nfs/dbraw/zinc/28/15/55/787281555.db2.gz RMUPSLOMBOPKCC-LLVKDONJSA-N 1 0 334.442 -1.310 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219647 787281878 /nfs/dbraw/zinc/28/18/78/787281878.db2.gz RMUPSLOMBOPKCC-NSHDSACASA-N 1 0 334.442 -1.310 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1)Nc1nncs1 ZINC001135219664 787281716 /nfs/dbraw/zinc/28/17/16/787281716.db2.gz SEFAZOLQMQKEEO-MRVPVSSYSA-N 1 0 326.382 -1.149 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)Nc1nncs1 ZINC001135219665 787281556 /nfs/dbraw/zinc/28/15/56/787281556.db2.gz SEFAZOLQMQKEEO-QMMMGPOBSA-N 1 0 326.382 -1.149 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)NC(=O)NC1CC1 ZINC001135219680 787281844 /nfs/dbraw/zinc/28/18/44/787281844.db2.gz SNFMEURTNXZYDM-JTQLQIEISA-N 1 0 325.369 -1.651 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1)NC(=O)NC1CC1 ZINC001135219681 787281823 /nfs/dbraw/zinc/28/18/23/787281823.db2.gz SNFMEURTNXZYDM-SNVBAGLBSA-N 1 0 325.369 -1.651 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001135219892 787281518 /nfs/dbraw/zinc/28/15/18/787281518.db2.gz UZWSEQDQBMXIBX-LLVKDONJSA-N 1 0 332.426 -1.604 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001135219895 787282828 /nfs/dbraw/zinc/28/28/28/787282828.db2.gz UZWSEQDQBMXIBX-NSHDSACASA-N 1 0 332.426 -1.604 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219933 787282466 /nfs/dbraw/zinc/28/24/66/787282466.db2.gz VJJPISLWTYRDNM-JTQLQIEISA-N 1 0 327.385 -1.403 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219934 787282275 /nfs/dbraw/zinc/28/22/75/787282275.db2.gz VJJPISLWTYRDNM-SNVBAGLBSA-N 1 0 327.385 -1.403 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001135220182 787282485 /nfs/dbraw/zinc/28/24/85/787282485.db2.gz XAKIMUZGAPHMMF-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001135220183 787283158 /nfs/dbraw/zinc/28/31/58/787283158.db2.gz XAKIMUZGAPHMMF-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001135220184 787282815 /nfs/dbraw/zinc/28/28/15/787282815.db2.gz XAKIMUZGAPHMMF-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001135220185 787282795 /nfs/dbraw/zinc/28/27/95/787282795.db2.gz XAKIMUZGAPHMMF-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135220202 787283058 /nfs/dbraw/zinc/28/30/58/787283058.db2.gz XQNKBYCAJFJRCG-JTQLQIEISA-N 1 0 325.369 -2.681 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135220203 787282338 /nfs/dbraw/zinc/28/23/38/787282338.db2.gz XQNKBYCAJFJRCG-SNVBAGLBSA-N 1 0 325.369 -2.681 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135220471 787282885 /nfs/dbraw/zinc/28/28/85/787282885.db2.gz YERTUHZVRGWPCT-JTQLQIEISA-N 1 0 341.412 -1.015 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135220472 787282451 /nfs/dbraw/zinc/28/24/51/787282451.db2.gz YERTUHZVRGWPCT-SNVBAGLBSA-N 1 0 341.412 -1.015 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001135221863 787282743 /nfs/dbraw/zinc/28/27/43/787282743.db2.gz BYMSFRCENRHTSQ-GFCCVEGCSA-N 1 0 326.397 -1.344 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001135221864 787283036 /nfs/dbraw/zinc/28/30/36/787283036.db2.gz BYMSFRCENRHTSQ-LBPRGKRZSA-N 1 0 326.397 -1.344 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C[C@@H]3CCC(=O)N3)C2=O)cn1 ZINC001135222068 787282421 /nfs/dbraw/zinc/28/24/21/787282421.db2.gz DMRLLAMREVIWQJ-AAEUAGOBSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@H]3CCC(=O)N3)C2=O)cn1 ZINC001135222070 787282356 /nfs/dbraw/zinc/28/23/56/787282356.db2.gz DMRLLAMREVIWQJ-DGCLKSJQSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@@H]3CCC(=O)N3)C2=O)cn1 ZINC001135222072 787283091 /nfs/dbraw/zinc/28/30/91/787283091.db2.gz DMRLLAMREVIWQJ-WCQYABFASA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C[C@H]3CCC(=O)N3)C2=O)cn1 ZINC001135222073 787282601 /nfs/dbraw/zinc/28/26/01/787282601.db2.gz DMRLLAMREVIWQJ-YPMHNXCESA-N 1 0 348.407 -1.100 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135222480 787283110 /nfs/dbraw/zinc/28/31/10/787283110.db2.gz IPLOGOHOFYFJBP-NXEZZACHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135222481 787283010 /nfs/dbraw/zinc/28/30/10/787283010.db2.gz IPLOGOHOFYFJBP-UWVGGRQHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135222482 787282291 /nfs/dbraw/zinc/28/22/91/787282291.db2.gz IPLOGOHOFYFJBP-VHSXEESVSA-N 1 0 327.385 -1.405 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135222483 787282967 /nfs/dbraw/zinc/28/29/67/787282967.db2.gz IPLOGOHOFYFJBP-ZJUUUORDSA-N 1 0 327.385 -1.405 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135222507 787283070 /nfs/dbraw/zinc/28/30/70/787283070.db2.gz IYWQZHGXZOGQCA-GFCCVEGCSA-N 1 0 349.453 -1.188 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135222508 787282237 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O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001135222846 787283106 /nfs/dbraw/zinc/28/31/06/787283106.db2.gz MMBWFQRANJKVAJ-WDEREUQCSA-N 1 0 340.380 -2.129 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C[C@H]3CCC(=O)N3)C2=O)n1 ZINC001135223413 787283075 /nfs/dbraw/zinc/28/30/75/787283075.db2.gz RHZRJLZZIVXXOF-NEPJUHHUSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@@H]3CCC(=O)N3)C2=O)n1 ZINC001135223414 787283099 /nfs/dbraw/zinc/28/30/99/787283099.db2.gz RHZRJLZZIVXXOF-NWDGAFQWSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C[C@@H]3CCC(=O)N3)C2=O)n1 ZINC001135223415 787283123 /nfs/dbraw/zinc/28/31/23/787283123.db2.gz RHZRJLZZIVXXOF-RYUDHWBXSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@H]3CCC(=O)N3)C2=O)n1 ZINC001135223416 787282494 /nfs/dbraw/zinc/28/24/94/787282494.db2.gz RHZRJLZZIVXXOF-VXGBXAGGSA-N 1 0 348.407 -1.100 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135223868 787283020 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O=C(C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)NC[C@H]1CCOC1 ZINC001135231432 787282823 /nfs/dbraw/zinc/28/28/23/787282823.db2.gz BJBVCQVAMQIYCU-NEPJUHHUSA-N 1 0 326.397 -1.486 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1)NC[C@@H]1CCOC1 ZINC001135231433 787283081 /nfs/dbraw/zinc/28/30/81/787283081.db2.gz BJBVCQVAMQIYCU-NWDGAFQWSA-N 1 0 326.397 -1.486 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)NC[C@@H]1CCOC1 ZINC001135231434 787282730 /nfs/dbraw/zinc/28/27/30/787282730.db2.gz BJBVCQVAMQIYCU-RYUDHWBXSA-N 1 0 326.397 -1.486 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1)NC[C@H]1CCOC1 ZINC001135231435 787282939 /nfs/dbraw/zinc/28/29/39/787282939.db2.gz BJBVCQVAMQIYCU-VXGBXAGGSA-N 1 0 326.397 -1.486 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135231590 787282907 /nfs/dbraw/zinc/28/29/07/787282907.db2.gz HUFUFNKDELALKE-GHMZBOCLSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135231591 787282658 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EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135232218 787284249 /nfs/dbraw/zinc/28/42/49/787284249.db2.gz UXYDPGQMVVHXDK-LLVKDONJSA-N 1 0 341.412 -1.013 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135232220 787284670 /nfs/dbraw/zinc/28/46/70/787284670.db2.gz UXYDPGQMVVHXDK-NSHDSACASA-N 1 0 341.412 -1.013 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135232575 787284578 /nfs/dbraw/zinc/28/45/78/787284578.db2.gz XYUQQFBPMPHBEF-NEPJUHHUSA-N 1 0 328.413 -1.098 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135232577 787284149 /nfs/dbraw/zinc/28/41/49/787284149.db2.gz XYUQQFBPMPHBEF-NWDGAFQWSA-N 1 0 328.413 -1.098 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135232578 787284702 /nfs/dbraw/zinc/28/47/02/787284702.db2.gz XYUQQFBPMPHBEF-RYUDHWBXSA-N 1 0 328.413 -1.098 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135232580 787283611 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339.396 -1.262 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001135232803 787284626 /nfs/dbraw/zinc/28/46/26/787284626.db2.gz ZHOPAIHCCWBTPX-KOLCDFICSA-N 1 0 339.396 -1.262 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CCC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001135232804 787284191 /nfs/dbraw/zinc/28/41/91/787284191.db2.gz ZHOPAIHCCWBTPX-MWLCHTKSSA-N 1 0 339.396 -1.262 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001135232806 787284711 /nfs/dbraw/zinc/28/47/11/787284711.db2.gz ZHOPAIHCCWBTPX-ONGXEEELSA-N 1 0 339.396 -1.262 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)C[C@@H]2CCC(=O)N2)cc(=O)n(C)c1=O ZINC001135232835 787284532 /nfs/dbraw/zinc/28/45/32/787284532.db2.gz ZONAASUWSWZDEG-JTQLQIEISA-N 1 0 337.380 -2.042 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)C[C@H]2CCC(=O)N2)cc(=O)n(C)c1=O ZINC001135232845 787284760 /nfs/dbraw/zinc/28/47/60/787284760.db2.gz ZONAASUWSWZDEG-SNVBAGLBSA-N 1 0 337.380 -2.042 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCCC1 ZINC001135237026 787284059 /nfs/dbraw/zinc/28/40/59/787284059.db2.gz BZLAROIQYOSQSW-UHFFFAOYSA-N 1 0 348.425 -1.495 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CCCC1 ZINC001135237165 787283786 /nfs/dbraw/zinc/28/37/86/787283786.db2.gz JBXWHLBBBLKMJG-JTQLQIEISA-N 1 0 345.421 -1.145 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CCCC1 ZINC001135237166 787283664 /nfs/dbraw/zinc/28/36/64/787283664.db2.gz JBXWHLBBBLKMJG-SNVBAGLBSA-N 1 0 345.421 -1.145 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)NC(N)=O ZINC001135237195 787284044 /nfs/dbraw/zinc/28/40/44/787284044.db2.gz KJCAKYKEQIZTAE-SECBINFHSA-N 1 0 348.425 -1.367 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)NC(N)=O ZINC001135237196 787284811 /nfs/dbraw/zinc/28/48/11/787284811.db2.gz KJCAKYKEQIZTAE-VIFPVBQESA-N 1 0 348.425 -1.367 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001135237469 787284801 /nfs/dbraw/zinc/28/48/01/787284801.db2.gz YJCMLQNGQLCUKV-UHFFFAOYSA-N 1 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CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)CC1 ZINC001135253207 787284885 /nfs/dbraw/zinc/28/48/85/787284885.db2.gz AMAOJRZYJLMLFJ-UHFFFAOYSA-N 1 0 341.412 -1.300 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC1 ZINC001135253217 787284208 /nfs/dbraw/zinc/28/42/08/787284208.db2.gz ASCVXQSWRFGMCR-LLVKDONJSA-N 1 0 326.397 -1.534 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC001135253219 787283938 /nfs/dbraw/zinc/28/39/38/787283938.db2.gz ASCVXQSWRFGMCR-NSHDSACASA-N 1 0 326.397 -1.534 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC001135253251 787284468 /nfs/dbraw/zinc/28/44/68/787284468.db2.gz BOMWGHUDLXZCFG-UHFFFAOYSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001135253294 787284089 /nfs/dbraw/zinc/28/40/89/787284089.db2.gz DBHPGNRIUOPEGZ-JTQLQIEISA-N 1 0 340.380 -2.272 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001135253306 787284303 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EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CCCS(=O)(=O)CCOC)CC1 ZINC001135253946 787286048 /nfs/dbraw/zinc/28/60/48/787286048.db2.gz QUMFSPKXWXULFV-UHFFFAOYSA-N 1 0 349.453 -1.330 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccn2ccnc12)N1CCNC(=O)C1 ZINC001135254163 787285934 /nfs/dbraw/zinc/28/59/34/787285934.db2.gz WRMXSQPGWZMOGF-UHFFFAOYSA-N 1 0 344.375 -1.388 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CC1 ZINC001135254173 787286220 /nfs/dbraw/zinc/28/62/20/787286220.db2.gz XEMALQJOJBKYHF-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135257119 787284225 /nfs/dbraw/zinc/28/42/25/787284225.db2.gz GSEDGKZLXIFARI-SECBINFHSA-N 1 0 327.385 -1.547 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135257120 787284826 /nfs/dbraw/zinc/28/48/26/787284826.db2.gz GSEDGKZLXIFARI-VIFPVBQESA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)CC1 ZINC001135258215 787283992 /nfs/dbraw/zinc/28/39/92/787283992.db2.gz CVFQTPRBHYHAPB-UHFFFAOYSA-N 1 0 333.392 -1.070 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CCNC(=O)C1CCCCC1 ZINC001135258467 787284027 /nfs/dbraw/zinc/28/40/27/787284027.db2.gz ILZURTNYIJCUJR-UHFFFAOYSA-N 1 0 341.412 -1.026 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001135258496 787284553 /nfs/dbraw/zinc/28/45/53/787284553.db2.gz IUNLEKFZNJJDAF-UHFFFAOYSA-N 1 0 326.397 -1.486 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)s1 ZINC001135260363 787285659 /nfs/dbraw/zinc/28/56/59/787285659.db2.gz AMHHWDLAJYBVST-UHFFFAOYSA-N 1 0 339.377 -1.282 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001135260378 787285469 /nfs/dbraw/zinc/28/54/69/787285469.db2.gz BGMBMJFJJBERBQ-UHFFFAOYSA-N 1 0 346.351 -1.563 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc(C(N)=O)s1 ZINC001135260690 787285996 /nfs/dbraw/zinc/28/59/96/787285996.db2.gz PMUHETNJWXMMOD-UHFFFAOYSA-N 1 0 334.423 -1.284 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccc(-n2ccnc2)nn1 ZINC001135260822 787285896 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341.412 -2.189 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC001135263276 787286247 /nfs/dbraw/zinc/28/62/47/787286247.db2.gz PVLKTAAQHOXOMU-LLVKDONJSA-N 1 0 348.407 -1.243 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC001135263277 787285356 /nfs/dbraw/zinc/28/53/56/787285356.db2.gz PVLKTAAQHOXOMU-NSHDSACASA-N 1 0 348.407 -1.243 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)Nc2cc(C)nn2C)CC1 ZINC001135263407 787286029 /nfs/dbraw/zinc/28/60/29/787286029.db2.gz RZULGQSEBIJLLW-UHFFFAOYSA-N 1 0 336.396 -1.101 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC001135263415 787285547 /nfs/dbraw/zinc/28/55/47/787285547.db2.gz SFDGGYPKEOOGLR-UHFFFAOYSA-N 1 0 337.380 -2.184 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC001135263455 787285775 /nfs/dbraw/zinc/28/57/75/787285775.db2.gz UGBLFNYOMGTSIF-SECBINFHSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)C1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC001135263456 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Cn1ncc(C(=O)NCC[NH2+]CC(=O)NC(=O)NCc2ccco2)n1 ZINC001135284072 787286679 /nfs/dbraw/zinc/28/66/79/787286679.db2.gz APPJTNQNXFUKOX-UHFFFAOYSA-N 1 0 349.351 -1.247 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)n1 ZINC001135284109 787286838 /nfs/dbraw/zinc/28/68/38/787286838.db2.gz BXUFXJAWFJQJKH-UHFFFAOYSA-N 1 0 337.384 -2.142 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135284163 787287235 /nfs/dbraw/zinc/28/72/35/787287235.db2.gz FJGHUXKRUJIQKZ-UHFFFAOYSA-N 1 0 325.373 -1.384 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC001135284248 787287587 /nfs/dbraw/zinc/28/75/87/787287587.db2.gz IPWMYPPJMQDADS-UHFFFAOYSA-N 1 0 349.395 -1.001 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135284290 787287361 /nfs/dbraw/zinc/28/73/61/787287361.db2.gz KJKJMSVURFKZMB-UHFFFAOYSA-N 1 0 334.384 -1.473 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnn(C)n3)C2=O)cn1 ZINC001135284309 787287143 /nfs/dbraw/zinc/28/71/43/787287143.db2.gz 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ZINC001135284575 787287650 /nfs/dbraw/zinc/28/76/50/787287650.db2.gz YFJAIQBCEJFEFM-JTQLQIEISA-N 1 0 332.368 -1.327 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnn(C)n3)C2=O)n1 ZINC001135284576 787287094 /nfs/dbraw/zinc/28/70/94/787287094.db2.gz YFJAIQBCEJFEFM-SNVBAGLBSA-N 1 0 332.368 -1.327 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cnn(C)n2)CC1 ZINC001135286388 787286965 /nfs/dbraw/zinc/28/69/65/787286965.db2.gz AUOJBLWVZBECAP-UHFFFAOYSA-N 1 0 337.384 -2.175 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286409 787287220 /nfs/dbraw/zinc/28/72/20/787287220.db2.gz BMMOKABOFVCOKF-UHFFFAOYSA-N 1 0 325.373 -1.240 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001135286480 787286898 /nfs/dbraw/zinc/28/68/98/787286898.db2.gz DAQQFHUOYREHDK-SECBINFHSA-N 1 0 325.373 -2.273 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001135286481 787286804 /nfs/dbraw/zinc/28/68/04/787286804.db2.gz DAQQFHUOYREHDK-VIFPVBQESA-N 1 0 325.373 -2.273 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC001135286553 787287124 /nfs/dbraw/zinc/28/71/24/787287124.db2.gz GQKRHMTXKLOWHA-JTQLQIEISA-N 1 0 337.384 -2.142 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC001135286555 787286597 /nfs/dbraw/zinc/28/65/97/787286597.db2.gz GQKRHMTXKLOWHA-SNVBAGLBSA-N 1 0 337.384 -2.142 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)n1 ZINC001135286764 787287542 /nfs/dbraw/zinc/28/75/42/787287542.db2.gz ITGJPRVAGCNJPE-UHFFFAOYSA-N 1 0 337.384 -1.145 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286835 787287641 /nfs/dbraw/zinc/28/76/41/787287641.db2.gz KZFXHTALALBMJZ-UHFFFAOYSA-N 1 0 348.429 -1.910 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286859 787287445 /nfs/dbraw/zinc/28/74/45/787287445.db2.gz LWMYAFVLUYFXHX-SECBINFHSA-N 1 0 341.372 -2.005 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286860 787287659 /nfs/dbraw/zinc/28/76/59/787287659.db2.gz LWMYAFVLUYFXHX-VIFPVBQESA-N 1 0 341.372 -2.005 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)n1 ZINC001135286890 787287609 /nfs/dbraw/zinc/28/76/09/787287609.db2.gz NCYNMEDEVFKLGU-UHFFFAOYSA-N 1 0 337.384 -2.127 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286914 787287499 /nfs/dbraw/zinc/28/74/99/787287499.db2.gz NYSUKFZHXAGMNV-UHFFFAOYSA-N 1 0 339.400 -1.881 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnn(C)n3)C2=O)n(C)n1 ZINC001135286930 787287675 /nfs/dbraw/zinc/28/76/75/787287675.db2.gz OMQYFILFFWZECO-LLVKDONJSA-N 1 0 346.395 -1.018 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cnn(C)n3)C2=O)n(C)n1 ZINC001135286931 787287624 /nfs/dbraw/zinc/28/76/24/787287624.db2.gz OMQYFILFFWZECO-NSHDSACASA-N 1 0 346.395 -1.018 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286949 787287302 /nfs/dbraw/zinc/28/73/02/787287302.db2.gz PBSKBQILGYHENK-SECBINFHSA-N 1 0 325.373 -1.243 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286950 787287057 /nfs/dbraw/zinc/28/70/57/787287057.db2.gz PBSKBQILGYHENK-VIFPVBQESA-N 1 0 325.373 -1.243 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)n1 ZINC001135287047 787286754 /nfs/dbraw/zinc/28/67/54/787286754.db2.gz UDBFVVVRLPYQGF-NEPJUHHUSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)n1 ZINC001135287048 787287044 /nfs/dbraw/zinc/28/70/44/787287044.db2.gz UDBFVVVRLPYQGF-NWDGAFQWSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)n1 ZINC001135287049 787287637 /nfs/dbraw/zinc/28/76/37/787287637.db2.gz UDBFVVVRLPYQGF-RYUDHWBXSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)n1 ZINC001135287050 787286818 /nfs/dbraw/zinc/28/68/18/787286818.db2.gz UDBFVVVRLPYQGF-VXGBXAGGSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)n1 ZINC001135287052 787286908 /nfs/dbraw/zinc/28/69/08/787286908.db2.gz UHAWNQWJMPZKMD-LLVKDONJSA-N 1 0 327.385 -1.309 20 0 EAADRO Cn1ncc(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)n1 ZINC001135287053 787286957 /nfs/dbraw/zinc/28/69/57/787286957.db2.gz UHAWNQWJMPZKMD-NSHDSACASA-N 1 0 327.385 -1.309 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CNC(=O)CC1CCCC1 ZINC001135292508 787288778 /nfs/dbraw/zinc/28/87/78/787288778.db2.gz BVPLNFGUGLTDRF-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)CC1CCCC1 ZINC001135292713 787289162 /nfs/dbraw/zinc/28/91/62/787289162.db2.gz GXAZEZQQTFQGKD-UHFFFAOYSA-N 1 0 341.412 -1.156 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)CC1CCCC1 ZINC001135293098 787289261 /nfs/dbraw/zinc/28/92/61/787289261.db2.gz MRGPPQBUCHKMAO-UHFFFAOYSA-N 1 0 327.385 -1.416 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)CC1CCCC1)C(=O)NC(N)=O ZINC001135293660 787289226 /nfs/dbraw/zinc/28/92/26/787289226.db2.gz VXJIMHFMOSJHET-JTQLQIEISA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)CC1CCCC1)C(=O)NC(N)=O ZINC001135293661 787288300 /nfs/dbraw/zinc/28/83/00/787288300.db2.gz VXJIMHFMOSJHET-SNVBAGLBSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)COc1cnn(C)c1 ZINC001135293777 787289197 /nfs/dbraw/zinc/28/91/97/787289197.db2.gz KXJDDOPRKPGJMU-NXEZZACHSA-N 1 0 340.384 -1.133 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)COc1cnn(C)c1 ZINC001135293778 787289326 /nfs/dbraw/zinc/28/93/26/787289326.db2.gz KXJDDOPRKPGJMU-UWVGGRQHSA-N 1 0 340.384 -1.133 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)COc1cnn(C)c1 ZINC001135293779 787289036 /nfs/dbraw/zinc/28/90/36/787289036.db2.gz KXJDDOPRKPGJMU-VHSXEESVSA-N 1 0 340.384 -1.133 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)COc1cnn(C)c1)[NH2+]CC(=O)NC(N)=O ZINC001135293780 787288585 /nfs/dbraw/zinc/28/85/85/787288585.db2.gz KXJDDOPRKPGJMU-ZJUUUORDSA-N 1 0 340.384 -1.133 20 0 EAADRO C[C@H](NC(=O)CC1CCCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135295419 787288266 /nfs/dbraw/zinc/28/82/66/787288266.db2.gz LSTIHCNWJZQIKH-JTQLQIEISA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](NC(=O)CC1CCCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135295420 787289274 /nfs/dbraw/zinc/28/92/74/787289274.db2.gz LSTIHCNWJZQIKH-SNVBAGLBSA-N 1 0 341.412 -1.028 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001135295574 787289134 /nfs/dbraw/zinc/28/91/34/787289134.db2.gz NTTSSZINNNVQCF-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@H]3CCC(=O)NC3=O)cn2n1 ZINC001135298024 787288738 /nfs/dbraw/zinc/28/87/38/787288738.db2.gz DTNXRKIDISGRQP-JTQLQIEISA-N 1 0 346.347 -1.544 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@@H]3CCC(=O)NC3=O)cn2n1 ZINC001135298025 787289249 /nfs/dbraw/zinc/28/92/49/787289249.db2.gz DTNXRKIDISGRQP-SNVBAGLBSA-N 1 0 346.347 -1.544 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]CCN3CCNC3=O)cn2n1 ZINC001135298052 787288167 /nfs/dbraw/zinc/28/81/67/787288167.db2.gz FRISPMCASSKPIL-UHFFFAOYSA-N 1 0 347.379 -1.324 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)cn2n1 ZINC001135298339 787288874 /nfs/dbraw/zinc/28/88/74/787288874.db2.gz PEWCSGKZDVUUTD-MRVPVSSYSA-N 1 0 349.351 -1.766 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)cn2n1 ZINC001135298340 787288952 /nfs/dbraw/zinc/28/89/52/787288952.db2.gz PEWCSGKZDVUUTD-QMMMGPOBSA-N 1 0 349.351 -1.766 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cn2n1 ZINC001135298465 787288448 /nfs/dbraw/zinc/28/84/48/787288448.db2.gz QTIJGRZAAZBNSC-UHFFFAOYSA-N 1 0 335.324 -2.155 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@@H]3CCN(C)C3=O)cn2n1 ZINC001135298531 787288283 /nfs/dbraw/zinc/28/82/83/787288283.db2.gz TUCVEQIBRMRUTA-LLVKDONJSA-N 1 0 332.364 -1.119 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@H]3CCN(C)C3=O)cn2n1 ZINC001135298532 787289079 /nfs/dbraw/zinc/28/90/79/787289079.db2.gz TUCVEQIBRMRUTA-NSHDSACASA-N 1 0 332.364 -1.119 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]CCn3cncn3)cn2n1 ZINC001135298544 787288820 /nfs/dbraw/zinc/28/88/20/787288820.db2.gz ULKIMQBWCMFOFZ-UHFFFAOYSA-N 1 0 330.352 -1.058 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]CC(=O)N3CCC3)cn2n1 ZINC001135300983 787289216 /nfs/dbraw/zinc/28/92/16/787289216.db2.gz DYLSQBXXLXRPMS-UHFFFAOYSA-N 1 0 332.364 -1.117 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135305032 787288494 /nfs/dbraw/zinc/28/84/94/787288494.db2.gz GEVVNQOSWYCNGS-UHFFFAOYSA-N 1 0 349.351 -1.894 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]Cc3cnnn3C)cn2n1 ZINC001135305122 787288856 /nfs/dbraw/zinc/28/88/56/787288856.db2.gz KBQSNSYHCWXCDI-UHFFFAOYSA-N 1 0 330.352 -1.021 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]CCS(C)(=O)=O)cn2n1 ZINC001135305312 787289057 /nfs/dbraw/zinc/28/90/57/787289057.db2.gz QQESZBMCDZDBAM-UHFFFAOYSA-N 1 0 341.393 -1.305 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@@H]3CCCNC3=O)cn2n1 ZINC001135305394 787288630 /nfs/dbraw/zinc/28/86/30/787288630.db2.gz UDIGNTBZKRRFMC-LLVKDONJSA-N 1 0 332.364 -1.071 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+][C@H]3CCCNC3=O)cn2n1 ZINC001135305395 787288412 /nfs/dbraw/zinc/28/84/12/787288412.db2.gz UDIGNTBZKRRFMC-NSHDSACASA-N 1 0 332.364 -1.071 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]CC(=O)NC3CC3)cn2n1 ZINC001135305544 787289153 /nfs/dbraw/zinc/28/91/53/787289153.db2.gz ZDKQLWGTMKFEGP-UHFFFAOYSA-N 1 0 332.364 -1.071 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135319545 787288683 /nfs/dbraw/zinc/28/86/83/787288683.db2.gz BJUGAZVGRKGAOQ-BDAKNGLRSA-N 1 0 335.368 -1.122 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001135319547 787288539 /nfs/dbraw/zinc/28/85/39/787288539.db2.gz BJUGAZVGRKGAOQ-DTWKUNHWSA-N 1 0 335.368 -1.122 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001135319548 787288979 /nfs/dbraw/zinc/28/89/79/787288979.db2.gz BJUGAZVGRKGAOQ-IUCAKERBSA-N 1 0 335.368 -1.122 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001135319550 787288151 /nfs/dbraw/zinc/28/81/51/787288151.db2.gz BJUGAZVGRKGAOQ-RKDXNWHRSA-N 1 0 335.368 -1.122 20 0 EAADRO O=C(CCCCN1CCOCC1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001135323233 787288373 /nfs/dbraw/zinc/28/83/73/787288373.db2.gz OWLISOULUNICCD-CYBMUJFWSA-N 1 0 340.424 -1.000 20 0 EAADRO O=C(CCCCN1CCOCC1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135323234 787289297 /nfs/dbraw/zinc/28/92/97/787289297.db2.gz OWLISOULUNICCD-ZDUSSCGKSA-N 1 0 340.424 -1.000 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCCN1CCOCC1 ZINC001135323331 787289004 /nfs/dbraw/zinc/28/90/04/787289004.db2.gz QINBOOSOVQGJRB-UHFFFAOYSA-N 1 0 343.428 -1.350 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCCN1CCOCC1 ZINC001135323393 787289089 /nfs/dbraw/zinc/28/90/89/787289089.db2.gz SAYKDBBBCDSCFU-UHFFFAOYSA-N 1 0 329.401 -1.610 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001135324431 787289140 /nfs/dbraw/zinc/28/91/40/787289140.db2.gz BGLXGZMHNLAOON-BDAKNGLRSA-N 1 0 338.368 -1.288 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001135324432 787289188 /nfs/dbraw/zinc/28/91/88/787289188.db2.gz BGLXGZMHNLAOON-DTWKUNHWSA-N 1 0 338.368 -1.288 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001135324433 787288921 /nfs/dbraw/zinc/28/89/21/787288921.db2.gz BGLXGZMHNLAOON-IUCAKERBSA-N 1 0 338.368 -1.288 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001135324434 787288404 /nfs/dbraw/zinc/28/84/04/787288404.db2.gz BGLXGZMHNLAOON-RKDXNWHRSA-N 1 0 338.368 -1.288 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCCCN1CCOCC1)C(=O)NC(N)=O ZINC001135325837 787288459 /nfs/dbraw/zinc/28/84/59/787288459.db2.gz JGXPTYGONCSTBT-GFCCVEGCSA-N 1 0 343.428 -1.222 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCCCN1CCOCC1)C(=O)NC(N)=O ZINC001135325840 787288176 /nfs/dbraw/zinc/28/81/76/787288176.db2.gz JGXPTYGONCSTBT-LBPRGKRZSA-N 1 0 343.428 -1.222 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001135325852 787289234 /nfs/dbraw/zinc/28/92/34/787289234.db2.gz QYUMRRDRTQXHOE-NXEZZACHSA-N 1 0 345.425 -1.194 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001135325856 787288365 /nfs/dbraw/zinc/28/83/65/787288365.db2.gz QYUMRRDRTQXHOE-UWVGGRQHSA-N 1 0 345.425 -1.194 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001135325858 787289178 /nfs/dbraw/zinc/28/91/78/787289178.db2.gz QYUMRRDRTQXHOE-VHSXEESVSA-N 1 0 345.425 -1.194 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)cn1)[NH2+]CCNS(C)(=O)=O ZINC001135325861 787288619 /nfs/dbraw/zinc/28/86/19/787288619.db2.gz QYUMRRDRTQXHOE-ZJUUUORDSA-N 1 0 345.425 -1.194 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCCS(N)(=O)=O)[NH2+]CCOCCO ZINC001135326671 787289076 /nfs/dbraw/zinc/28/90/76/787289076.db2.gz ZIGSRXHLJUPNFO-NEPJUHHUSA-N 1 0 339.458 -1.063 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CCCS(N)(=O)=O ZINC001135326672 787288482 /nfs/dbraw/zinc/28/84/82/787288482.db2.gz ZIGSRXHLJUPNFO-NWDGAFQWSA-N 1 0 339.458 -1.063 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CCCS(N)(=O)=O ZINC001135326673 787288850 /nfs/dbraw/zinc/28/88/50/787288850.db2.gz ZIGSRXHLJUPNFO-RYUDHWBXSA-N 1 0 339.458 -1.063 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CCCS(N)(=O)=O ZINC001135326674 787288928 /nfs/dbraw/zinc/28/89/28/787288928.db2.gz ZIGSRXHLJUPNFO-VXGBXAGGSA-N 1 0 339.458 -1.063 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CCCS(N)(=O)=O ZINC001135326687 787288236 /nfs/dbraw/zinc/28/82/36/787288236.db2.gz ZPDVUUNBBQUAQV-NXEZZACHSA-N 1 0 347.445 -1.348 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CCCS(N)(=O)=O ZINC001135326688 787288943 /nfs/dbraw/zinc/28/89/43/787288943.db2.gz ZPDVUUNBBQUAQV-UWVGGRQHSA-N 1 0 347.445 -1.348 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CCCS(N)(=O)=O ZINC001135326689 787289114 /nfs/dbraw/zinc/28/91/14/787289114.db2.gz ZPDVUUNBBQUAQV-VHSXEESVSA-N 1 0 347.445 -1.348 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCCS(N)(=O)=O)[NH2+]Cc1nnnn1C ZINC001135326690 787288594 /nfs/dbraw/zinc/28/85/94/787288594.db2.gz ZPDVUUNBBQUAQV-ZJUUUORDSA-N 1 0 347.445 -1.348 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001135333514 787290395 /nfs/dbraw/zinc/29/03/95/787290395.db2.gz ACSQELSLBVPUDE-NXEZZACHSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001135333515 787290625 /nfs/dbraw/zinc/29/06/25/787290625.db2.gz ACSQELSLBVPUDE-UWVGGRQHSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001135333516 787290578 /nfs/dbraw/zinc/29/05/78/787290578.db2.gz ACSQELSLBVPUDE-VHSXEESVSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1(C(N)=O)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001135333517 787290600 /nfs/dbraw/zinc/29/06/00/787290600.db2.gz ACSQELSLBVPUDE-ZJUUUORDSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001135336310 787290551 /nfs/dbraw/zinc/29/05/51/787290551.db2.gz YIQSMOJJQORSHC-NXEZZACHSA-N 1 0 334.442 -1.326 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001135336311 787290615 /nfs/dbraw/zinc/29/06/15/787290615.db2.gz YIQSMOJJQORSHC-UWVGGRQHSA-N 1 0 334.442 -1.326 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001135336312 787290679 /nfs/dbraw/zinc/29/06/79/787290679.db2.gz YIQSMOJJQORSHC-VHSXEESVSA-N 1 0 334.442 -1.326 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1(C(N)=O)CC1)[NH2+]CCNS(C)(=O)=O ZINC001135336313 787290540 /nfs/dbraw/zinc/29/05/40/787290540.db2.gz YIQSMOJJQORSHC-ZJUUUORDSA-N 1 0 334.442 -1.326 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135337085 787289738 /nfs/dbraw/zinc/28/97/38/787289738.db2.gz RNCLBNHNCUXXQH-GFCCVEGCSA-N 1 0 343.428 -1.351 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135337086 787290377 /nfs/dbraw/zinc/29/03/77/787290377.db2.gz RNCLBNHNCUXXQH-LBPRGKRZSA-N 1 0 343.428 -1.351 20 0 EAADRO O=C(CCN1CCOCC1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001135340838 787289811 /nfs/dbraw/zinc/28/98/11/787289811.db2.gz KLHCYYVNALYYEJ-AWEZNQCLSA-N 1 0 342.440 -1.433 20 0 EAADRO O=C(CCN1CCOCC1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001135340843 787290630 /nfs/dbraw/zinc/29/06/30/787290630.db2.gz KLHCYYVNALYYEJ-CQSZACIVSA-N 1 0 342.440 -1.433 20 0 EAADRO O=C(CCN1CCOCC1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001135341110 787290652 /nfs/dbraw/zinc/29/06/52/787290652.db2.gz OARSWNPRHLYBLO-AWEZNQCLSA-N 1 0 325.413 -1.328 20 0 EAADRO O=C(CCN1CCOCC1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001135341122 787290611 /nfs/dbraw/zinc/29/06/11/787290611.db2.gz OARSWNPRHLYBLO-CQSZACIVSA-N 1 0 325.413 -1.328 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135341139 787290647 /nfs/dbraw/zinc/29/06/47/787290647.db2.gz ONJLLLMEGOUCPD-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135341140 787290665 /nfs/dbraw/zinc/29/06/65/787290665.db2.gz ONJLLLMEGOUCPD-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)CCC1CCCC1 ZINC001135341403 787290038 /nfs/dbraw/zinc/29/00/38/787290038.db2.gz VATYXZBLHHRYCL-UHFFFAOYSA-N 1 0 341.412 -1.026 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135341421 787290089 /nfs/dbraw/zinc/29/00/89/787290089.db2.gz VVISMNFTYVOHLM-AWEZNQCLSA-N 1 0 344.456 -1.044 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135341422 787290484 /nfs/dbraw/zinc/29/04/84/787290484.db2.gz VVISMNFTYVOHLM-CQSZACIVSA-N 1 0 344.456 -1.044 20 0 EAADRO O=C(CCN1CCOCC1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001135341483 787290220 /nfs/dbraw/zinc/29/02/20/787290220.db2.gz YRXKKNFISQBFND-UHFFFAOYSA-N 1 0 326.397 -1.437 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001135343036 787290620 /nfs/dbraw/zinc/29/06/20/787290620.db2.gz ADAZTYCALPTAPN-BDAKNGLRSA-N 1 0 329.401 -1.031 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001135343037 787290623 /nfs/dbraw/zinc/29/06/23/787290623.db2.gz ADAZTYCALPTAPN-DTWKUNHWSA-N 1 0 329.401 -1.031 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001135343038 787290580 /nfs/dbraw/zinc/29/05/80/787290580.db2.gz ADAZTYCALPTAPN-IUCAKERBSA-N 1 0 329.401 -1.031 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001135343039 787290289 /nfs/dbraw/zinc/29/02/89/787290289.db2.gz ADAZTYCALPTAPN-RKDXNWHRSA-N 1 0 329.401 -1.031 20 0 EAADRO O=C(COc1cccnc1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135344232 787290654 /nfs/dbraw/zinc/29/06/54/787290654.db2.gz ODHUEKMPWQKJDP-UHFFFAOYSA-N 1 0 335.364 -1.875 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001135344473 787290669 /nfs/dbraw/zinc/29/06/69/787290669.db2.gz KYVRZTUPROJVTL-NXEZZACHSA-N 1 0 343.428 -1.625 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001135344474 787290656 /nfs/dbraw/zinc/29/06/56/787290656.db2.gz KYVRZTUPROJVTL-UWVGGRQHSA-N 1 0 343.428 -1.625 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001135344475 787289944 /nfs/dbraw/zinc/28/99/44/787289944.db2.gz KYVRZTUPROJVTL-VHSXEESVSA-N 1 0 343.428 -1.625 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001135344476 787290454 /nfs/dbraw/zinc/29/04/54/787290454.db2.gz KYVRZTUPROJVTL-ZJUUUORDSA-N 1 0 343.428 -1.625 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)Cc1cnn(C)c1)NC(=O)C(N)=O ZINC001135344816 787290657 /nfs/dbraw/zinc/29/06/57/787290657.db2.gz NQCHIAWHLFSIMG-GHMZBOCLSA-N 1 0 338.412 -1.263 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001135344817 787289752 /nfs/dbraw/zinc/28/97/52/787289752.db2.gz NQCHIAWHLFSIMG-MNOVXSKESA-N 1 0 338.412 -1.263 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)Cc1cnn(C)c1)NC(=O)C(N)=O ZINC001135344818 787290592 /nfs/dbraw/zinc/29/05/92/787290592.db2.gz NQCHIAWHLFSIMG-QWRGUYRKSA-N 1 0 338.412 -1.263 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)Cc1cnn(C)c1)NC(=O)C(N)=O ZINC001135344819 787290155 /nfs/dbraw/zinc/29/01/55/787290155.db2.gz NQCHIAWHLFSIMG-WDEREUQCSA-N 1 0 338.412 -1.263 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C1CCOCC1)NC(=O)C(N)=O ZINC001135344828 787290358 /nfs/dbraw/zinc/29/03/58/787290358.db2.gz NRNXFORTTYLBSS-NXEZZACHSA-N 1 0 339.400 -1.117 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C1CCOCC1)NC(=O)C(N)=O ZINC001135344829 787290126 /nfs/dbraw/zinc/29/01/26/787290126.db2.gz NRNXFORTTYLBSS-UWVGGRQHSA-N 1 0 339.400 -1.117 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C1CCOCC1)NC(=O)C(N)=O ZINC001135344830 787289695 /nfs/dbraw/zinc/28/96/95/787289695.db2.gz NRNXFORTTYLBSS-VHSXEESVSA-N 1 0 339.400 -1.117 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]Cc1nnnn1C1CCOCC1 ZINC001135344831 787290670 /nfs/dbraw/zinc/29/06/70/787290670.db2.gz NRNXFORTTYLBSS-ZJUUUORDSA-N 1 0 339.400 -1.117 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)NC(=O)C(N)=O ZINC001135344996 787290641 /nfs/dbraw/zinc/29/06/41/787290641.db2.gz 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ZINC001135352773 787292034 /nfs/dbraw/zinc/29/20/34/787292034.db2.gz RMIHIHVDTNTOFR-UHFFFAOYSA-N 1 0 342.425 -1.095 20 0 EAADRO O=C(CCN1CCOCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135352777 787291212 /nfs/dbraw/zinc/29/12/12/787291212.db2.gz ROYIWEBFSJDEFJ-UHFFFAOYSA-N 1 0 327.385 -2.034 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001135352962 787291976 /nfs/dbraw/zinc/29/19/76/787291976.db2.gz AFVDKKRMLQEJRA-BDAKNGLRSA-N 1 0 325.369 -2.058 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)C(N)=O ZINC001135352963 787290893 /nfs/dbraw/zinc/29/08/93/787290893.db2.gz AFVDKKRMLQEJRA-DTWKUNHWSA-N 1 0 325.369 -2.058 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)C(N)=O ZINC001135352964 787291495 /nfs/dbraw/zinc/29/14/95/787291495.db2.gz AFVDKKRMLQEJRA-IUCAKERBSA-N 1 0 325.369 -2.058 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)C(N)=O ZINC001135352965 787291520 /nfs/dbraw/zinc/29/15/20/787291520.db2.gz AFVDKKRMLQEJRA-RKDXNWHRSA-N 1 0 325.369 -2.058 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135353006 787291879 /nfs/dbraw/zinc/29/18/79/787291879.db2.gz AXMUHPVJEISAPK-NXEZZACHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135353007 787291050 /nfs/dbraw/zinc/29/10/50/787291050.db2.gz AXMUHPVJEISAPK-UWVGGRQHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135353008 787291087 /nfs/dbraw/zinc/29/10/87/787291087.db2.gz AXMUHPVJEISAPK-VHSXEESVSA-N 1 0 329.401 -1.030 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135353009 787291869 /nfs/dbraw/zinc/29/18/69/787291869.db2.gz AXMUHPVJEISAPK-ZJUUUORDSA-N 1 0 329.401 -1.030 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC(=O)N1CCCC1)NC(=O)C(N)=O ZINC001135353798 787291874 /nfs/dbraw/zinc/29/18/74/787291874.db2.gz MPJOGSNVIKKALG-GHMZBOCLSA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001135353799 787291304 /nfs/dbraw/zinc/29/13/04/787291304.db2.gz MPJOGSNVIKKALG-MNOVXSKESA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC(=O)N1CCCC1)NC(=O)C(N)=O ZINC001135353800 787291038 /nfs/dbraw/zinc/29/10/38/787291038.db2.gz MPJOGSNVIKKALG-QWRGUYRKSA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC(=O)N1CCCC1)NC(=O)C(N)=O ZINC001135353801 787291453 /nfs/dbraw/zinc/29/14/53/787291453.db2.gz MPJOGSNVIKKALG-WDEREUQCSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O)CC1 ZINC001135354166 787292025 /nfs/dbraw/zinc/29/20/25/787292025.db2.gz SKIYKZNOJGCDFE-GHMZBOCLSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(N)=O)CC1 ZINC001135354167 787291323 /nfs/dbraw/zinc/29/13/23/787291323.db2.gz SKIYKZNOJGCDFE-MNOVXSKESA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O)CC1 ZINC001135354168 787290929 /nfs/dbraw/zinc/29/09/29/787290929.db2.gz SKIYKZNOJGCDFE-QWRGUYRKSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O)CC1 ZINC001135354169 787291953 /nfs/dbraw/zinc/29/19/53/787291953.db2.gz SKIYKZNOJGCDFE-WDEREUQCSA-N 1 0 341.412 -1.965 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001135354218 787291097 /nfs/dbraw/zinc/29/10/97/787291097.db2.gz TXRQPOPWGJUCCX-BDAKNGLRSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)C(N)=O ZINC001135354219 787292003 /nfs/dbraw/zinc/29/20/03/787292003.db2.gz TXRQPOPWGJUCCX-DTWKUNHWSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)C(N)=O ZINC001135354220 787291537 /nfs/dbraw/zinc/29/15/37/787291537.db2.gz TXRQPOPWGJUCCX-IUCAKERBSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)C(N)=O ZINC001135354221 787291254 /nfs/dbraw/zinc/29/12/54/787291254.db2.gz TXRQPOPWGJUCCX-RKDXNWHRSA-N 1 0 327.385 -1.325 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135354506 787291895 /nfs/dbraw/zinc/29/18/95/787291895.db2.gz WONIDUSCIDWVRT-GHMZBOCLSA-N 1 0 343.428 -1.671 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135354507 787292024 /nfs/dbraw/zinc/29/20/24/787292024.db2.gz WONIDUSCIDWVRT-MNOVXSKESA-N 1 0 343.428 -1.671 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135354508 787291840 /nfs/dbraw/zinc/29/18/40/787291840.db2.gz WONIDUSCIDWVRT-QWRGUYRKSA-N 1 0 343.428 -1.671 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135354509 787291832 /nfs/dbraw/zinc/29/18/32/787291832.db2.gz WONIDUSCIDWVRT-WDEREUQCSA-N 1 0 343.428 -1.671 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)COc2cccnc2)cc(=O)n(C)c1=O ZINC001135356614 787291801 /nfs/dbraw/zinc/29/18/01/787291801.db2.gz FQLWXKDNWDKDEI-UHFFFAOYSA-N 1 0 347.375 -1.236 20 0 EAADRO CC1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCOCC1 ZINC001135356807 787291140 /nfs/dbraw/zinc/29/11/40/787291140.db2.gz IKVCXUMWGDNWPK-UHFFFAOYSA-N 1 0 326.397 -1.533 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135374826 787291236 /nfs/dbraw/zinc/29/12/36/787291236.db2.gz LTJHVPFQMDTWAH-LBPRGKRZSA-N 1 0 328.413 -1.410 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135374939 787291661 /nfs/dbraw/zinc/29/16/61/787291661.db2.gz OGEUZDIESCLKEV-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO CCN(CC)C(=O)CCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135375470 787291763 /nfs/dbraw/zinc/29/17/63/787291763.db2.gz TYWAUJDNMNKNKK-UHFFFAOYSA-N 1 0 329.401 -1.074 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001135375632 787291955 /nfs/dbraw/zinc/29/19/55/787291955.db2.gz WMWVNKQAANIHOS-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001135375633 787291846 /nfs/dbraw/zinc/29/18/46/787291846.db2.gz WMWVNKQAANIHOS-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001135375641 787291886 /nfs/dbraw/zinc/29/18/86/787291886.db2.gz XGWAYHQOIYXZGF-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001135378676 787291165 /nfs/dbraw/zinc/29/11/65/787291165.db2.gz HMENXROXYVDRBK-LLVKDONJSA-N 1 0 342.396 -1.883 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001135378677 787291626 /nfs/dbraw/zinc/29/16/26/787291626.db2.gz HMENXROXYVDRBK-NSHDSACASA-N 1 0 342.396 -1.883 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001135378712 787291064 /nfs/dbraw/zinc/29/10/64/787291064.db2.gz IXMKFVFBICZPFL-GFCCVEGCSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001135378713 787291651 /nfs/dbraw/zinc/29/16/51/787291651.db2.gz IXMKFVFBICZPFL-LBPRGKRZSA-N 1 0 328.413 -1.240 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001135379037 787291106 /nfs/dbraw/zinc/29/11/06/787291106.db2.gz LHSKTAIAUOVDLT-UHFFFAOYSA-N 1 0 327.385 -1.451 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001135379391 787291922 /nfs/dbraw/zinc/29/19/22/787291922.db2.gz QDJNENCHRAQDCP-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001135379871 787291432 /nfs/dbraw/zinc/29/14/32/787291432.db2.gz WKPNEWGIJZPVCC-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001135379878 787291717 /nfs/dbraw/zinc/29/17/17/787291717.db2.gz WKPNEWGIJZPVCC-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001135380865 787291613 /nfs/dbraw/zinc/29/16/13/787291613.db2.gz CATOVCGUJUDYPC-SECBINFHSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001135380866 787291120 /nfs/dbraw/zinc/29/11/20/787291120.db2.gz CATOVCGUJUDYPC-VIFPVBQESA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001135380867 787291460 /nfs/dbraw/zinc/29/14/60/787291460.db2.gz CCXBUGZWMBYZHB-JTQLQIEISA-N 1 0 343.428 -1.800 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001135380868 787290985 /nfs/dbraw/zinc/29/09/85/787290985.db2.gz CCXBUGZWMBYZHB-SNVBAGLBSA-N 1 0 343.428 -1.800 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001135380904 787291474 /nfs/dbraw/zinc/29/14/74/787291474.db2.gz FERBHJLCIJOWDP-UHFFFAOYSA-N 1 0 328.413 -1.098 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001135380981 787290959 /nfs/dbraw/zinc/29/09/59/787290959.db2.gz IDPWKIHSDJGGLN-UHFFFAOYSA-N 1 0 339.396 -1.796 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381021 787291925 /nfs/dbraw/zinc/29/19/25/787291925.db2.gz JYELIPDAYPPRMG-SECBINFHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381022 787291201 /nfs/dbraw/zinc/29/12/01/787291201.db2.gz JYELIPDAYPPRMG-VIFPVBQESA-N 1 0 329.401 -1.159 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135381056 787292006 /nfs/dbraw/zinc/29/20/06/787292006.db2.gz LAGLLSHPFQCUGM-UHFFFAOYSA-N 1 0 327.385 -2.435 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001135381063 787291962 /nfs/dbraw/zinc/29/19/62/787291962.db2.gz LIJCVHFOKWREAO-UHFFFAOYSA-N 1 0 327.385 -1.405 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381128 787291947 /nfs/dbraw/zinc/29/19/47/787291947.db2.gz PJEXRVBQRCKMTR-UHFFFAOYSA-N 1 0 329.401 -1.157 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001135381212 787291742 /nfs/dbraw/zinc/29/17/42/787291742.db2.gz UFEADSZTECOLDE-GFCCVEGCSA-N 1 0 328.413 -1.098 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001135381213 787292017 /nfs/dbraw/zinc/29/20/17/787292017.db2.gz UFEADSZTECOLDE-LBPRGKRZSA-N 1 0 328.413 -1.098 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001135381233 787291380 /nfs/dbraw/zinc/29/13/80/787291380.db2.gz VFIMSEAGGMYMHI-UHFFFAOYSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384292 787292288 /nfs/dbraw/zinc/29/22/88/787292288.db2.gz AXPGDSIDHSRTRK-SECBINFHSA-N 1 0 344.372 -3.082 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384293 787293391 /nfs/dbraw/zinc/29/33/91/787293391.db2.gz AXPGDSIDHSRTRK-VIFPVBQESA-N 1 0 344.372 -3.082 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1ocnc1C ZINC001135384309 787292858 /nfs/dbraw/zinc/29/28/58/787292858.db2.gz BDHGQBXLCUOXMY-LLVKDONJSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1ocnc1C ZINC001135384310 787292378 /nfs/dbraw/zinc/29/23/78/787292378.db2.gz BDHGQBXLCUOXMY-NSHDSACASA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCOCC(F)F ZINC001135384315 787293281 /nfs/dbraw/zinc/29/32/81/787293281.db2.gz BKTMYROLYWOHPD-JTQLQIEISA-N 1 0 338.355 -1.256 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCOCC(F)F ZINC001135384316 787292743 /nfs/dbraw/zinc/29/27/43/787292743.db2.gz BKTMYROLYWOHPD-SNVBAGLBSA-N 1 0 338.355 -1.256 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cc(C)ncn1 ZINC001135384319 787293440 /nfs/dbraw/zinc/29/34/40/787293440.db2.gz BNHSLGCUESNGMD-CYBMUJFWSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cc(C)ncn1 ZINC001135384320 787293244 /nfs/dbraw/zinc/29/32/44/787293244.db2.gz BNHSLGCUESNGMD-ZDUSSCGKSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135384322 787292613 /nfs/dbraw/zinc/29/26/13/787292613.db2.gz BOSLGWZTULMXOC-GXSJLCMTSA-N 1 0 329.401 -2.061 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135384323 787292891 /nfs/dbraw/zinc/29/28/91/787292891.db2.gz BOSLGWZTULMXOC-KOLCDFICSA-N 1 0 329.401 -2.061 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135384324 787293276 /nfs/dbraw/zinc/29/32/76/787293276.db2.gz BOSLGWZTULMXOC-MWLCHTKSSA-N 1 0 329.401 -2.061 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135384325 787293248 /nfs/dbraw/zinc/29/32/48/787293248.db2.gz BOSLGWZTULMXOC-ONGXEEELSA-N 1 0 329.401 -2.061 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135384335 787292751 /nfs/dbraw/zinc/29/27/51/787292751.db2.gz BYJREECVDFYAQN-APPZFPTMSA-N 1 0 344.372 -2.954 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135384336 787292393 /nfs/dbraw/zinc/29/23/93/787292393.db2.gz BYJREECVDFYAQN-CBAPKCEASA-N 1 0 344.372 -2.954 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135384337 787293136 /nfs/dbraw/zinc/29/31/36/787293136.db2.gz BYJREECVDFYAQN-IONNQARKSA-N 1 0 344.372 -2.954 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135384338 787293331 /nfs/dbraw/zinc/29/33/31/787293331.db2.gz BYJREECVDFYAQN-VXNVDRBHSA-N 1 0 344.372 -2.954 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001135384346 787293399 /nfs/dbraw/zinc/29/33/99/787293399.db2.gz CFYRMVDERVXPCA-LLVKDONJSA-N 1 0 342.400 -2.512 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001135384347 787292255 /nfs/dbraw/zinc/29/22/55/787292255.db2.gz CFYRMVDERVXPCA-NSHDSACASA-N 1 0 342.400 -2.512 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001135384378 787292792 /nfs/dbraw/zinc/29/27/92/787292792.db2.gz CYBQYLZVICGHJY-LLVKDONJSA-N 1 0 329.401 -2.013 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001135384379 787292906 /nfs/dbraw/zinc/29/29/06/787292906.db2.gz CYBQYLZVICGHJY-NSHDSACASA-N 1 0 329.401 -2.013 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384468 787293342 /nfs/dbraw/zinc/29/33/42/787293342.db2.gz CYXGXVIVGZBOOG-CMPLNLGQSA-N 1 0 343.428 -1.623 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384469 787292839 /nfs/dbraw/zinc/29/28/39/787292839.db2.gz CYXGXVIVGZBOOG-JQWIXIFHSA-N 1 0 343.428 -1.623 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384470 787293176 /nfs/dbraw/zinc/29/31/76/787293176.db2.gz CYXGXVIVGZBOOG-PWSUYJOCSA-N 1 0 343.428 -1.623 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384471 787293183 /nfs/dbraw/zinc/29/31/83/787293183.db2.gz CYXGXVIVGZBOOG-ZYHUDNBSSA-N 1 0 343.428 -1.623 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001135384476 787293057 /nfs/dbraw/zinc/29/30/57/787293057.db2.gz DGBQGNJQSCTBJH-NEPJUHHUSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001135384477 787292460 /nfs/dbraw/zinc/29/24/60/787292460.db2.gz DGBQGNJQSCTBJH-NWDGAFQWSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001135384478 787292476 /nfs/dbraw/zinc/29/24/76/787292476.db2.gz DGBQGNJQSCTBJH-RYUDHWBXSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001135384479 787293120 /nfs/dbraw/zinc/29/31/20/787293120.db2.gz DGBQGNJQSCTBJH-VXGBXAGGSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnc(C)nc1 ZINC001135384492 787292341 /nfs/dbraw/zinc/29/23/41/787292341.db2.gz DTPHIBONWHLPFN-CYBMUJFWSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnc(C)nc1 ZINC001135384493 787293074 /nfs/dbraw/zinc/29/30/74/787293074.db2.gz DTPHIBONWHLPFN-ZDUSSCGKSA-N 1 0 336.396 -1.239 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O ZINC001135384501 787293261 /nfs/dbraw/zinc/29/32/61/787293261.db2.gz DZCJQTFJPUZHOF-NEPJUHHUSA-N 1 0 343.428 -1.494 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C(N)=O ZINC001135384502 787293236 /nfs/dbraw/zinc/29/32/36/787293236.db2.gz DZCJQTFJPUZHOF-NWDGAFQWSA-N 1 0 343.428 -1.494 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O ZINC001135384503 787293167 /nfs/dbraw/zinc/29/31/67/787293167.db2.gz DZCJQTFJPUZHOF-RYUDHWBXSA-N 1 0 343.428 -1.494 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C(N)=O ZINC001135384504 787292878 /nfs/dbraw/zinc/29/28/78/787292878.db2.gz DZCJQTFJPUZHOF-VXGBXAGGSA-N 1 0 343.428 -1.494 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384522 787293378 /nfs/dbraw/zinc/29/33/78/787293378.db2.gz FRDRIKUKNPJXCV-CMPLNLGQSA-N 1 0 343.428 -1.623 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384523 787292779 /nfs/dbraw/zinc/29/27/79/787292779.db2.gz FRDRIKUKNPJXCV-JQWIXIFHSA-N 1 0 343.428 -1.623 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384524 787293162 /nfs/dbraw/zinc/29/31/62/787293162.db2.gz FRDRIKUKNPJXCV-PWSUYJOCSA-N 1 0 343.428 -1.623 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384525 787292808 /nfs/dbraw/zinc/29/28/08/787292808.db2.gz FRDRIKUKNPJXCV-ZYHUDNBSSA-N 1 0 343.428 -1.623 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001135384549 787293173 /nfs/dbraw/zinc/29/31/73/787293173.db2.gz GNDHZZFDNYUGQI-GFCCVEGCSA-N 1 0 341.412 -1.915 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001135384550 787293001 /nfs/dbraw/zinc/29/30/01/787293001.db2.gz GNDHZZFDNYUGQI-LBPRGKRZSA-N 1 0 341.412 -1.915 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnc(C)o1 ZINC001135384560 787293105 /nfs/dbraw/zinc/29/31/05/787293105.db2.gz GYEDTZKVSYTSFY-GFCCVEGCSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnc(C)o1 ZINC001135384561 787292707 /nfs/dbraw/zinc/29/27/07/787292707.db2.gz GYEDTZKVSYTSFY-LBPRGKRZSA-N 1 0 325.369 -1.041 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384574 787293227 /nfs/dbraw/zinc/29/32/27/787293227.db2.gz HIURWCJVKVSPQX-GFCCVEGCSA-N 1 0 332.401 -1.875 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384575 787293314 /nfs/dbraw/zinc/29/33/14/787293314.db2.gz HIURWCJVKVSPQX-LBPRGKRZSA-N 1 0 332.401 -1.875 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001135384576 787293220 /nfs/dbraw/zinc/29/32/20/787293220.db2.gz HJDTYNJVHHJUEU-LLVKDONJSA-N 1 0 327.385 -2.259 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001135384577 787292727 /nfs/dbraw/zinc/29/27/27/787292727.db2.gz HJDTYNJVHHJUEU-NSHDSACASA-N 1 0 327.385 -2.259 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135384579 787292921 /nfs/dbraw/zinc/29/29/21/787292921.db2.gz HJPBSDLSTWVFSR-CHWSQXEVSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135384580 787293270 /nfs/dbraw/zinc/29/32/70/787293270.db2.gz HJPBSDLSTWVFSR-OLZOCXBDSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135384581 787293019 /nfs/dbraw/zinc/29/30/19/787293019.db2.gz HJPBSDLSTWVFSR-QWHCGFSZSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135384582 787293224 /nfs/dbraw/zinc/29/32/24/787293224.db2.gz HJPBSDLSTWVFSR-STQMWFEESA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001135384711 787294722 /nfs/dbraw/zinc/29/47/22/787294722.db2.gz JVFAIJYVJRNYEK-CYBMUJFWSA-N 1 0 338.412 -1.561 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001135384713 787294102 /nfs/dbraw/zinc/29/41/02/787294102.db2.gz JVFAIJYVJRNYEK-ZDUSSCGKSA-N 1 0 338.412 -1.561 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001135384790 787294265 /nfs/dbraw/zinc/29/42/65/787294265.db2.gz LCYNXTJHBWCWGJ-GFCCVEGCSA-N 1 0 341.412 -1.915 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001135384791 787294324 /nfs/dbraw/zinc/29/43/24/787294324.db2.gz LCYNXTJHBWCWGJ-LBPRGKRZSA-N 1 0 341.412 -1.915 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135384793 787294846 /nfs/dbraw/zinc/29/48/46/787294846.db2.gz LHAVFFQMKFKLRO-GHMZBOCLSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135384794 787294413 /nfs/dbraw/zinc/29/44/13/787294413.db2.gz LHAVFFQMKFKLRO-MNOVXSKESA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135384795 787294047 /nfs/dbraw/zinc/29/40/47/787294047.db2.gz LHAVFFQMKFKLRO-QWRGUYRKSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135384796 787293978 /nfs/dbraw/zinc/29/39/78/787293978.db2.gz LHAVFFQMKFKLRO-WDEREUQCSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCn1cncn1 ZINC001135384798 787294610 /nfs/dbraw/zinc/29/46/10/787294610.db2.gz LHSPBMXASBUQML-LLVKDONJSA-N 1 0 325.373 -2.246 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCn1cncn1 ZINC001135384799 787294743 /nfs/dbraw/zinc/29/47/43/787294743.db2.gz LHSPBMXASBUQML-NSHDSACASA-N 1 0 325.373 -2.246 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1snnc1C ZINC001135384811 787294181 /nfs/dbraw/zinc/29/41/81/787294181.db2.gz LSKRLZLKGFCTDH-JTQLQIEISA-N 1 0 342.425 -1.177 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1snnc1C ZINC001135384812 787294027 /nfs/dbraw/zinc/29/40/27/787294027.db2.gz LSKRLZLKGFCTDH-SNVBAGLBSA-N 1 0 342.425 -1.177 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135384828 787294212 /nfs/dbraw/zinc/29/42/12/787294212.db2.gz LXELZQWTXGYOSH-CHWSQXEVSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135384829 787294472 /nfs/dbraw/zinc/29/44/72/787294472.db2.gz LXELZQWTXGYOSH-OLZOCXBDSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135384830 787294476 /nfs/dbraw/zinc/29/44/76/787294476.db2.gz LXELZQWTXGYOSH-QWHCGFSZSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135384831 787294633 /nfs/dbraw/zinc/29/46/33/787294633.db2.gz LXELZQWTXGYOSH-STQMWFEESA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001135384836 787294750 /nfs/dbraw/zinc/29/47/50/787294750.db2.gz LZYPSLCBGJKWAQ-JTQLQIEISA-N 1 0 336.414 -2.493 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001135384837 787294199 /nfs/dbraw/zinc/29/41/99/787294199.db2.gz LZYPSLCBGJKWAQ-SNVBAGLBSA-N 1 0 336.414 -2.493 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384839 787294730 /nfs/dbraw/zinc/29/47/30/787294730.db2.gz MGTHWJHWVBKGGB-GFCCVEGCSA-N 1 0 343.428 -1.669 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384840 787294236 /nfs/dbraw/zinc/29/42/36/787294236.db2.gz MGTHWJHWVBKGGB-LBPRGKRZSA-N 1 0 343.428 -1.669 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001135384856 787294192 /nfs/dbraw/zinc/29/41/92/787294192.db2.gz MOXNSGVHAHETTL-CYBMUJFWSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001135384857 787294132 /nfs/dbraw/zinc/29/41/32/787294132.db2.gz MOXNSGVHAHETTL-ZDUSSCGKSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1nccnc1C ZINC001135384859 787294284 /nfs/dbraw/zinc/29/42/84/787294284.db2.gz MSLJIEVHOMSJNK-GFCCVEGCSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1nccnc1C ZINC001135384860 787294140 /nfs/dbraw/zinc/29/41/40/787294140.db2.gz MSLJIEVHOMSJNK-LBPRGKRZSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnc(C)cn1 ZINC001135384889 787294641 /nfs/dbraw/zinc/29/46/41/787294641.db2.gz NUBTVKHJALHRTR-CYBMUJFWSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnc(C)cn1 ZINC001135384890 787293985 /nfs/dbraw/zinc/29/39/85/787293985.db2.gz NUBTVKHJALHRTR-ZDUSSCGKSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cc(C)no1 ZINC001135384903 787294588 /nfs/dbraw/zinc/29/45/88/787294588.db2.gz ODRKXQLICYAIEH-GFCCVEGCSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cc(C)no1 ZINC001135384904 787294064 /nfs/dbraw/zinc/29/40/64/787294064.db2.gz ODRKXQLICYAIEH-LBPRGKRZSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001135384905 787294854 /nfs/dbraw/zinc/29/48/54/787294854.db2.gz OGBZQTARAVSJRY-GFCCVEGCSA-N 1 0 341.412 -2.011 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001135384906 787294123 /nfs/dbraw/zinc/29/41/23/787294123.db2.gz OGBZQTARAVSJRY-LBPRGKRZSA-N 1 0 341.412 -2.011 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cn(C)nc1C ZINC001135384907 787293951 /nfs/dbraw/zinc/29/39/51/787293951.db2.gz OHASTIOLEDOSLR-CYBMUJFWSA-N 1 0 338.412 -1.295 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cn(C)nc1C ZINC001135384908 787294135 /nfs/dbraw/zinc/29/41/35/787294135.db2.gz OHASTIOLEDOSLR-ZDUSSCGKSA-N 1 0 338.412 -1.295 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384937 787294512 /nfs/dbraw/zinc/29/45/12/787294512.db2.gz PEVORQUPRVRBHV-GFCCVEGCSA-N 1 0 339.400 -1.726 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384938 787294004 /nfs/dbraw/zinc/29/40/04/787294004.db2.gz PEVORQUPRVRBHV-LBPRGKRZSA-N 1 0 339.400 -1.726 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001135384941 787294229 /nfs/dbraw/zinc/29/42/29/787294229.db2.gz PGVBUQCQJKOMOB-GFCCVEGCSA-N 1 0 343.428 -1.765 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001135384942 787294529 /nfs/dbraw/zinc/29/45/29/787294529.db2.gz PGVBUQCQJKOMOB-LBPRGKRZSA-N 1 0 343.428 -1.765 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384950 787294058 /nfs/dbraw/zinc/29/40/58/787294058.db2.gz PXTSOPVIQMNFLD-LLVKDONJSA-N 1 0 329.401 -2.011 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384951 787294224 /nfs/dbraw/zinc/29/42/24/787294224.db2.gz PXTSOPVIQMNFLD-NSHDSACASA-N 1 0 329.401 -2.011 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001135385074 787294296 /nfs/dbraw/zinc/29/42/96/787294296.db2.gz QHMMHBFHCQIKHA-BXKDBHETSA-N 1 0 341.412 -1.871 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001135385075 787293927 /nfs/dbraw/zinc/29/39/27/787293927.db2.gz QHMMHBFHCQIKHA-CABZTGNLSA-N 1 0 341.412 -1.871 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001135385076 787294560 /nfs/dbraw/zinc/29/45/60/787294560.db2.gz QHMMHBFHCQIKHA-JOYOIKCWSA-N 1 0 341.412 -1.871 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001135385077 787294081 /nfs/dbraw/zinc/29/40/81/787294081.db2.gz QHMMHBFHCQIKHA-SKDRFNHKSA-N 1 0 341.412 -1.871 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001135385088 787294187 /nfs/dbraw/zinc/29/41/87/787294187.db2.gz QMYYFZHIDCDXNZ-LLVKDONJSA-N 1 0 325.373 -2.209 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001135385089 787294619 /nfs/dbraw/zinc/29/46/19/787294619.db2.gz QMYYFZHIDCDXNZ-NSHDSACASA-N 1 0 325.373 -2.209 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135385163 787294043 /nfs/dbraw/zinc/29/40/43/787294043.db2.gz SRNNXKIAHJEELZ-MRVPVSSYSA-N 1 0 330.345 -3.343 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135385164 787294483 /nfs/dbraw/zinc/29/44/83/787294483.db2.gz SRNNXKIAHJEELZ-QMMMGPOBSA-N 1 0 330.345 -3.343 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1=O ZINC001135385165 787293887 /nfs/dbraw/zinc/29/38/87/787293887.db2.gz SROAJXUHZWDTSG-NEPJUHHUSA-N 1 0 341.412 -1.917 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1=O ZINC001135385166 787294189 /nfs/dbraw/zinc/29/41/89/787294189.db2.gz SROAJXUHZWDTSG-NWDGAFQWSA-N 1 0 341.412 -1.917 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1=O ZINC001135385167 787294113 /nfs/dbraw/zinc/29/41/13/787294113.db2.gz SROAJXUHZWDTSG-RYUDHWBXSA-N 1 0 341.412 -1.917 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1=O ZINC001135385168 787294218 /nfs/dbraw/zinc/29/42/18/787294218.db2.gz SROAJXUHZWDTSG-VXGBXAGGSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CCc1ccnn1C ZINC001135385289 787294146 /nfs/dbraw/zinc/29/41/46/787294146.db2.gz XFDKUUYRBUUTPB-CYBMUJFWSA-N 1 0 338.412 -1.561 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CCc1ccnn1C ZINC001135385290 787294056 /nfs/dbraw/zinc/29/40/56/787294056.db2.gz XFDKUUYRBUUTPB-ZDUSSCGKSA-N 1 0 338.412 -1.561 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001135385291 787294340 /nfs/dbraw/zinc/29/43/40/787294340.db2.gz XGVJWEGCQPEXAF-GFCCVEGCSA-N 1 0 343.428 -1.671 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001135385292 787294103 /nfs/dbraw/zinc/29/41/03/787294103.db2.gz XGVJWEGCQPEXAF-LBPRGKRZSA-N 1 0 343.428 -1.671 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1conc1C ZINC001135385306 787295408 /nfs/dbraw/zinc/29/54/08/787295408.db2.gz YEWUMUZDXUTJKH-GFCCVEGCSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1conc1C ZINC001135385307 787296167 /nfs/dbraw/zinc/29/61/67/787296167.db2.gz YEWUMUZDXUTJKH-LBPRGKRZSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135385313 787295844 /nfs/dbraw/zinc/29/58/44/787295844.db2.gz YIXVIWNMLJVPTC-GHMZBOCLSA-N 1 0 327.385 -2.259 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135385314 787296161 /nfs/dbraw/zinc/29/61/61/787296161.db2.gz YIXVIWNMLJVPTC-MNOVXSKESA-N 1 0 327.385 -2.259 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135385315 787295479 /nfs/dbraw/zinc/29/54/79/787295479.db2.gz YIXVIWNMLJVPTC-QWRGUYRKSA-N 1 0 327.385 -2.259 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135385316 787296262 /nfs/dbraw/zinc/29/62/62/787296262.db2.gz YIXVIWNMLJVPTC-WDEREUQCSA-N 1 0 327.385 -2.259 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135385337 787295533 /nfs/dbraw/zinc/29/55/33/787295533.db2.gz YZLNLZHHNDCDAX-GFCCVEGCSA-N 1 0 343.428 -1.621 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135385338 787296109 /nfs/dbraw/zinc/29/61/09/787296109.db2.gz YZLNLZHHNDCDAX-LBPRGKRZSA-N 1 0 343.428 -1.621 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001135385339 787295788 /nfs/dbraw/zinc/29/57/88/787295788.db2.gz ZAZQHNKSKPVTDE-NXEZZACHSA-N 1 0 341.368 -2.732 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135385340 787295175 /nfs/dbraw/zinc/29/51/75/787295175.db2.gz ZAZQHNKSKPVTDE-UWVGGRQHSA-N 1 0 341.368 -2.732 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135385341 787295860 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CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135386542 787296288 /nfs/dbraw/zinc/29/62/88/787296288.db2.gz AILXXZIGGSEBOQ-LLVKDONJSA-N 1 0 329.401 -2.059 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135386543 787295346 /nfs/dbraw/zinc/29/53/46/787295346.db2.gz AILXXZIGGSEBOQ-NSHDSACASA-N 1 0 329.401 -2.059 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001135386628 787296243 /nfs/dbraw/zinc/29/62/43/787296243.db2.gz IXINWWJBHBIFIP-HTQZYQBOSA-N 1 0 326.357 -1.193 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001135386631 787296170 /nfs/dbraw/zinc/29/61/70/787296170.db2.gz IXINWWJBHBIFIP-JGVFFNPUSA-N 1 0 326.357 -1.193 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001135386633 787295578 /nfs/dbraw/zinc/29/55/78/787295578.db2.gz IXINWWJBHBIFIP-SFYZADRCSA-N 1 0 326.357 -1.193 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001135386635 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COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncccn1 ZINC001135609982 787309835 /nfs/dbraw/zinc/30/98/35/787309835.db2.gz UZLYGQZSOPRVNL-JTQLQIEISA-N 1 0 338.368 -1.343 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncccn1 ZINC001135609984 787309119 /nfs/dbraw/zinc/30/91/19/787309119.db2.gz UZLYGQZSOPRVNL-SNVBAGLBSA-N 1 0 338.368 -1.343 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ncccn1)NCCCN1CCCC1=O ZINC001135610040 787309632 /nfs/dbraw/zinc/30/96/32/787309632.db2.gz WGXUPOBNEDJOGS-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001135612926 787310374 /nfs/dbraw/zinc/31/03/74/787310374.db2.gz BGHJJIWKXUBEKH-NXEZZACHSA-N 1 0 339.396 -1.684 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001135612928 787309433 /nfs/dbraw/zinc/30/94/33/787309433.db2.gz BGHJJIWKXUBEKH-UWVGGRQHSA-N 1 0 339.396 -1.684 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001135612929 787310365 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ZINC001135614662 787310139 /nfs/dbraw/zinc/31/01/39/787310139.db2.gz XYWNOFQZSXTIRP-MNOVXSKESA-N 1 0 349.395 -1.490 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001135614663 787309649 /nfs/dbraw/zinc/30/96/49/787309649.db2.gz XYWNOFQZSXTIRP-QWRGUYRKSA-N 1 0 349.395 -1.490 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001135614664 787309422 /nfs/dbraw/zinc/30/94/22/787309422.db2.gz XYWNOFQZSXTIRP-WDEREUQCSA-N 1 0 349.395 -1.490 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccc2[nH]cnc21)N1CCNC(=O)C1 ZINC001135626872 787310443 /nfs/dbraw/zinc/31/04/43/787310443.db2.gz ZPNTWLXKCHXNLU-UHFFFAOYSA-N 1 0 344.375 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cccnn1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001135628942 787310422 /nfs/dbraw/zinc/31/04/22/787310422.db2.gz RRGACEOMFXPCBI-NEPJUHHUSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cccnn1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001135628944 787309443 /nfs/dbraw/zinc/30/94/43/787309443.db2.gz RRGACEOMFXPCBI-NWDGAFQWSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cccnn1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001135628946 787309885 /nfs/dbraw/zinc/30/98/85/787309885.db2.gz RRGACEOMFXPCBI-RYUDHWBXSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cccnn1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001135628948 787309681 /nfs/dbraw/zinc/30/96/81/787309681.db2.gz RRGACEOMFXPCBI-VXGBXAGGSA-N 1 0 348.407 -1.092 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2cccnn2)CC1 ZINC001135628960 787309502 /nfs/dbraw/zinc/30/95/02/787309502.db2.gz SJLLKIBOIXZARY-UHFFFAOYSA-N 1 0 334.380 -1.480 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCNC(=O)c2cccnn2)CC1 ZINC001135631781 787310179 /nfs/dbraw/zinc/31/01/79/787310179.db2.gz IWHFRSFVVCQUCA-GFCCVEGCSA-N 1 0 348.407 -1.125 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCNC(=O)c2cccnn2)CC1 ZINC001135631782 787309737 /nfs/dbraw/zinc/30/97/37/787309737.db2.gz IWHFRSFVVCQUCA-LBPRGKRZSA-N 1 0 348.407 -1.125 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccnn1)NCCCN1CCCC1=O ZINC001135631838 787308853 /nfs/dbraw/zinc/30/88/53/787308853.db2.gz LSGWULAYPGGHSB-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cccnn2)CC1 ZINC001135631860 787309602 /nfs/dbraw/zinc/30/96/02/787309602.db2.gz MQHFTMHSXMSLNT-UHFFFAOYSA-N 1 0 334.380 -1.513 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cccnn1)C(=O)N1CCC(C(N)=O)CC1 ZINC001135631957 787309002 /nfs/dbraw/zinc/30/90/02/787309002.db2.gz PXXYSMZYSSZGBH-LLVKDONJSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cccnn1)C(=O)N1CCC(C(N)=O)CC1 ZINC001135631958 787308833 /nfs/dbraw/zinc/30/88/33/787308833.db2.gz PXXYSMZYSSZGBH-NSHDSACASA-N 1 0 348.407 -1.092 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2cccnn2)CC1 ZINC001135631982 787309903 /nfs/dbraw/zinc/30/99/03/787309903.db2.gz RBISDUGQYHDVFX-UHFFFAOYSA-N 1 0 348.407 -1.219 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccnn1 ZINC001135631986 787309068 /nfs/dbraw/zinc/30/90/68/787309068.db2.gz RIOOPZIVPABEOX-JTQLQIEISA-N 1 0 338.368 -1.343 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccnn1 ZINC001135631987 787309026 /nfs/dbraw/zinc/30/90/26/787309026.db2.gz RIOOPZIVPABEOX-SNVBAGLBSA-N 1 0 338.368 -1.343 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cccnn2)C1 ZINC001135632041 787309660 /nfs/dbraw/zinc/30/96/60/787309660.db2.gz SSUDETUIRRGVNX-LLVKDONJSA-N 1 0 334.380 -1.480 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cccnn2)C1 ZINC001135632042 787310329 /nfs/dbraw/zinc/31/03/29/787310329.db2.gz SSUDETUIRRGVNX-NSHDSACASA-N 1 0 334.380 -1.480 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)c1cccnn1 ZINC001135632082 787310590 /nfs/dbraw/zinc/31/05/90/787310590.db2.gz UZLAHZWJHRYSBH-UHFFFAOYSA-N 1 0 336.396 -1.219 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cccnn1)NCC(=O)N1CCCC1 ZINC001135632090 787309780 /nfs/dbraw/zinc/30/97/80/787309780.db2.gz VGBRZULKMCRQPH-UHFFFAOYSA-N 1 0 334.380 -1.465 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cccnn1 ZINC001135632155 787311224 /nfs/dbraw/zinc/31/12/24/787311224.db2.gz YBBYXKPAUQLMQJ-UHFFFAOYSA-N 1 0 345.425 -1.248 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C ZINC001135635653 787311085 /nfs/dbraw/zinc/31/10/85/787311085.db2.gz INKNMRCZGUEIMQ-NXEZZACHSA-N 1 0 329.401 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(=O)N(C)C ZINC001135635654 787310674 /nfs/dbraw/zinc/31/06/74/787310674.db2.gz INKNMRCZGUEIMQ-UWVGGRQHSA-N 1 0 329.401 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C ZINC001135635655 787311586 /nfs/dbraw/zinc/31/15/86/787311586.db2.gz INKNMRCZGUEIMQ-VHSXEESVSA-N 1 0 329.401 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)N(C)C ZINC001135635656 787311332 /nfs/dbraw/zinc/31/13/32/787311332.db2.gz INKNMRCZGUEIMQ-ZJUUUORDSA-N 1 0 329.401 -1.207 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC(=O)N(C)C ZINC001135636005 787312232 /nfs/dbraw/zinc/31/22/32/787312232.db2.gz OIRWVHJPVOZQRB-NXEZZACHSA-N 1 0 326.401 -1.040 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC(=O)N(C)C ZINC001135636006 787311259 /nfs/dbraw/zinc/31/12/59/787311259.db2.gz OIRWVHJPVOZQRB-UWVGGRQHSA-N 1 0 326.401 -1.040 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC(=O)N(C)C ZINC001135636007 787311735 /nfs/dbraw/zinc/31/17/35/787311735.db2.gz OIRWVHJPVOZQRB-VHSXEESVSA-N 1 0 326.401 -1.040 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(=O)N(C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135636008 787311783 /nfs/dbraw/zinc/31/17/83/787311783.db2.gz OIRWVHJPVOZQRB-ZJUUUORDSA-N 1 0 326.401 -1.040 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001135639898 787311094 /nfs/dbraw/zinc/31/10/94/787311094.db2.gz SZNDDJPQFOKYFB-NXEZZACHSA-N 1 0 336.458 -1.067 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001135639899 787312141 /nfs/dbraw/zinc/31/21/41/787312141.db2.gz SZNDDJPQFOKYFB-UWVGGRQHSA-N 1 0 336.458 -1.067 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001135639900 787310741 /nfs/dbraw/zinc/31/07/41/787310741.db2.gz SZNDDJPQFOKYFB-VHSXEESVSA-N 1 0 336.458 -1.067 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001135639901 787311551 /nfs/dbraw/zinc/31/15/51/787311551.db2.gz SZNDDJPQFOKYFB-ZJUUUORDSA-N 1 0 336.458 -1.067 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)c1cccnn1 ZINC001135640749 787311366 /nfs/dbraw/zinc/31/13/66/787311366.db2.gz BHPMGCZQOGLLNW-UHFFFAOYSA-N 1 0 336.396 -1.173 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)c2cccnn2)CC1 ZINC001135640783 787311532 /nfs/dbraw/zinc/31/15/32/787311532.db2.gz CGIDHZDTBXPJAD-UHFFFAOYSA-N 1 0 348.407 -1.077 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cccnn2)C1 ZINC001135640958 787312151 /nfs/dbraw/zinc/31/21/51/787312151.db2.gz IPYRZAMCNKUKPT-CYBMUJFWSA-N 1 0 348.407 -1.077 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cccnn2)C1 ZINC001135640959 787311507 /nfs/dbraw/zinc/31/15/07/787311507.db2.gz IPYRZAMCNKUKPT-ZDUSSCGKSA-N 1 0 348.407 -1.077 20 0 EAADRO CCn1ncc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1C ZINC001135650211 787311154 /nfs/dbraw/zinc/31/11/54/787311154.db2.gz JEOIEAMTJPAEJM-UHFFFAOYSA-N 1 0 336.396 -1.511 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1nccs1 ZINC001135653138 787311597 /nfs/dbraw/zinc/31/15/97/787311597.db2.gz GLTDTMSZSMAPMG-SECBINFHSA-N 1 0 326.378 -1.028 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1nccs1 ZINC001135653139 787312131 /nfs/dbraw/zinc/31/21/31/787312131.db2.gz GLTDTMSZSMAPMG-VIFPVBQESA-N 1 0 326.378 -1.028 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC(=O)N(C)C ZINC001135654880 787312307 /nfs/dbraw/zinc/31/23/07/787312307.db2.gz CWGDGIGAKNINIU-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(=O)N(C)C)[NH2+]CCN1C(=O)CNC1=O ZINC001135654881 787311300 /nfs/dbraw/zinc/31/13/00/787311300.db2.gz CWGDGIGAKNINIU-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC(=O)N(C)C ZINC001135654882 787310849 /nfs/dbraw/zinc/31/08/49/787310849.db2.gz CWGDGIGAKNINIU-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC(=O)N(C)C ZINC001135654883 787312320 /nfs/dbraw/zinc/31/23/20/787312320.db2.gz CWGDGIGAKNINIU-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CC(=O)N(C)C ZINC001135654928 787311499 /nfs/dbraw/zinc/31/14/99/787311499.db2.gz DMLDESRARDGLSR-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(=O)N(C)C)[NH2+]CCNS(C)(=O)=O ZINC001135654929 787312369 /nfs/dbraw/zinc/31/23/69/787312369.db2.gz DMLDESRARDGLSR-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CC(=O)N(C)C ZINC001135654930 787311771 /nfs/dbraw/zinc/31/17/71/787311771.db2.gz DMLDESRARDGLSR-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CC(=O)N(C)C ZINC001135654931 787312196 /nfs/dbraw/zinc/31/21/96/787312196.db2.gz DMLDESRARDGLSR-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)C1(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O)CC1 ZINC001135664277 787312176 /nfs/dbraw/zinc/31/21/76/787312176.db2.gz DIOZTGDIXFLIJE-GHMZBOCLSA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O)CC1 ZINC001135664278 787310772 /nfs/dbraw/zinc/31/07/72/787310772.db2.gz DIOZTGDIXFLIJE-MNOVXSKESA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O)CC1 ZINC001135664279 787310979 /nfs/dbraw/zinc/31/09/79/787310979.db2.gz DIOZTGDIXFLIJE-QWRGUYRKSA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)C1(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O)CC1 ZINC001135664280 787311804 /nfs/dbraw/zinc/31/18/04/787311804.db2.gz DIOZTGDIXFLIJE-WDEREUQCSA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001135664401 787311561 /nfs/dbraw/zinc/31/15/61/787311561.db2.gz GBRKYUJKJUOMJC-NXEZZACHSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001135664402 787311631 /nfs/dbraw/zinc/31/16/31/787311631.db2.gz GBRKYUJKJUOMJC-UWVGGRQHSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001135664403 787310939 /nfs/dbraw/zinc/31/09/39/787310939.db2.gz GBRKYUJKJUOMJC-VHSXEESVSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001135664404 787310868 /nfs/dbraw/zinc/31/08/68/787310868.db2.gz GBRKYUJKJUOMJC-ZJUUUORDSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001135664473 787310760 /nfs/dbraw/zinc/31/07/60/787310760.db2.gz GTRYOXJSSWUUOS-BDAKNGLRSA-N 1 0 327.385 -1.420 20 0 EAADRO CNC(=O)C1(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001135664474 787311386 /nfs/dbraw/zinc/31/13/86/787311386.db2.gz GTRYOXJSSWUUOS-DTWKUNHWSA-N 1 0 327.385 -1.420 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001135664475 787311430 /nfs/dbraw/zinc/31/14/30/787311430.db2.gz GTRYOXJSSWUUOS-IUCAKERBSA-N 1 0 327.385 -1.420 20 0 EAADRO CNC(=O)C1(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001135664476 787310924 /nfs/dbraw/zinc/31/09/24/787310924.db2.gz GTRYOXJSSWUUOS-RKDXNWHRSA-N 1 0 327.385 -1.420 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135668231 787311642 /nfs/dbraw/zinc/31/16/42/787311642.db2.gz QZHKNCAAZLVEMM-UHFFFAOYSA-N 1 0 325.369 -1.077 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001135668255 787312093 /nfs/dbraw/zinc/31/20/93/787312093.db2.gz SFWPNIMQWHBFHA-UHFFFAOYSA-N 1 0 337.380 -1.029 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135669236 787312015 /nfs/dbraw/zinc/31/20/15/787312015.db2.gz FUKHNTUGANVEPU-UHFFFAOYSA-N 1 0 325.369 -1.029 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001135669309 787311140 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337.336 -1.750 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135669496 787312331 /nfs/dbraw/zinc/31/23/31/787312331.db2.gz SHXXIRKOSOTLGM-VIFPVBQESA-N 1 0 337.336 -1.750 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135669500 787312041 /nfs/dbraw/zinc/31/20/41/787312041.db2.gz SJQUVJQSNQRHSR-UHFFFAOYSA-N 1 0 340.340 -2.100 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001135669526 787312120 /nfs/dbraw/zinc/31/21/20/787312120.db2.gz UOWILRZMGYNJCB-UHFFFAOYSA-N 1 0 346.409 -1.121 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001135669535 787312209 /nfs/dbraw/zinc/31/22/09/787312209.db2.gz UXZMWOPXUQPAMX-UHFFFAOYSA-N 1 0 332.382 -1.511 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135669553 787311950 /nfs/dbraw/zinc/31/19/50/787311950.db2.gz VTKJQVVOFDRTDR-UHFFFAOYSA-N 1 0 326.313 -2.361 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001135669580 787311286 /nfs/dbraw/zinc/31/12/86/787311286.db2.gz WTQUJYVGQSEAFZ-UHFFFAOYSA-N 1 0 337.380 -1.029 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135669624 787311202 /nfs/dbraw/zinc/31/12/02/787311202.db2.gz YURGYCYDILZTEZ-SECBINFHSA-N 1 0 325.369 -1.079 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135669625 787311464 /nfs/dbraw/zinc/31/14/64/787311464.db2.gz YURGYCYDILZTEZ-VIFPVBQESA-N 1 0 325.369 -1.079 20 0 EAADRO C[NH+]1CCN(CCCNC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001135669675 787310817 /nfs/dbraw/zinc/31/08/17/787310817.db2.gz BALRBAIHFNNUPS-UHFFFAOYSA-N 1 0 344.441 -1.716 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC(=O)NC(=O)C1 ZINC001135670263 787312955 /nfs/dbraw/zinc/31/29/55/787312955.db2.gz FKOSDLSFPURRBQ-HTQZYQBOSA-N 1 0 341.368 -1.893 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC(=O)NC(=O)C1 ZINC001135670264 787312836 /nfs/dbraw/zinc/31/28/36/787312836.db2.gz FKOSDLSFPURRBQ-JGVFFNPUSA-N 1 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CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001135670354 787313324 /nfs/dbraw/zinc/31/33/24/787313324.db2.gz FZJHAZHYTAAQOD-RKDXNWHRSA-N 1 0 325.373 -1.243 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnn(C)n1 ZINC001135670459 787312521 /nfs/dbraw/zinc/31/25/21/787312521.db2.gz GQAAPPVVFGVXMO-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnn(C)n1 ZINC001135670460 787312981 /nfs/dbraw/zinc/31/29/81/787312981.db2.gz GQAAPPVVFGVXMO-UWVGGRQHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnn(C)n1 ZINC001135670461 787313332 /nfs/dbraw/zinc/31/33/32/787313332.db2.gz GQAAPPVVFGVXMO-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]CCN1C(=O)CNC1=O ZINC001135670462 787313676 /nfs/dbraw/zinc/31/36/76/787313676.db2.gz GQAAPPVVFGVXMO-ZJUUUORDSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnn(C)n1 ZINC001135671208 787313284 /nfs/dbraw/zinc/31/32/84/787313284.db2.gz OJPKEXBXTXSYPA-NXEZZACHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnn(C)n1 ZINC001135671209 787313571 /nfs/dbraw/zinc/31/35/71/787313571.db2.gz OJPKEXBXTXSYPA-UWVGGRQHSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnn(C)n1 ZINC001135671210 787312870 /nfs/dbraw/zinc/31/28/70/787312870.db2.gz OJPKEXBXTXSYPA-VHSXEESVSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]CCNS(C)(=O)=O ZINC001135671211 787313183 /nfs/dbraw/zinc/31/31/83/787313183.db2.gz OJPKEXBXTXSYPA-ZJUUUORDSA-N 1 0 332.430 -1.149 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)C1CC(=O)NC(=O)C1 ZINC001135671484 787313379 /nfs/dbraw/zinc/31/33/79/787313379.db2.gz RUZMVXZSXBBPNZ-GHMZBOCLSA-N 1 0 329.397 -1.079 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCOCCO ZINC001135671485 787313039 /nfs/dbraw/zinc/31/30/39/787313039.db2.gz RUZMVXZSXBBPNZ-MNOVXSKESA-N 1 0 329.397 -1.079 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)C1CC(=O)NC(=O)C1 ZINC001135671486 787313769 /nfs/dbraw/zinc/31/37/69/787313769.db2.gz RUZMVXZSXBBPNZ-QWRGUYRKSA-N 1 0 329.397 -1.079 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)C1CC(=O)NC(=O)C1 ZINC001135671487 787313310 /nfs/dbraw/zinc/31/33/10/787313310.db2.gz RUZMVXZSXBBPNZ-WDEREUQCSA-N 1 0 329.397 -1.079 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCN1CCOCC1)[NH2+]CC(=O)NC(N)=O ZINC001135675464 787311243 /nfs/dbraw/zinc/31/12/43/787311243.db2.gz GIXDDEJHZLAQJI-NEPJUHHUSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCN1CCOCC1 ZINC001135675465 787311663 /nfs/dbraw/zinc/31/16/63/787311663.db2.gz GIXDDEJHZLAQJI-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCN1CCOCC1 ZINC001135675466 787310951 /nfs/dbraw/zinc/31/09/51/787310951.db2.gz GIXDDEJHZLAQJI-RYUDHWBXSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCN1CCOCC1 ZINC001135675467 787310784 /nfs/dbraw/zinc/31/07/84/787310784.db2.gz GIXDDEJHZLAQJI-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677263 787311487 /nfs/dbraw/zinc/31/14/87/787311487.db2.gz AEYUYWTUMBJFHV-UHFFFAOYSA-N 1 0 326.405 -1.133 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001135677333 787312185 /nfs/dbraw/zinc/31/21/85/787312185.db2.gz CQTJVWBNLFKAGB-LLVKDONJSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001135677334 787312298 /nfs/dbraw/zinc/31/22/98/787312298.db2.gz CQTJVWBNLFKAGB-NSHDSACASA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001135677397 787311925 /nfs/dbraw/zinc/31/19/25/787311925.db2.gz GJQDREXGIHCNCB-UHFFFAOYSA-N 1 0 337.306 -1.162 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001135677405 787311876 /nfs/dbraw/zinc/31/18/76/787311876.db2.gz GUJGNNFGGQKSDE-UHFFFAOYSA-N 1 0 331.402 -2.196 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677454 787312081 /nfs/dbraw/zinc/31/20/81/787312081.db2.gz JJTSMVALKVEIRD-UHFFFAOYSA-N 1 0 333.418 -1.902 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)Nc1ncccn1 ZINC001135677482 787312060 /nfs/dbraw/zinc/31/20/60/787312060.db2.gz LBROFLFUAYQVNY-JTQLQIEISA-N 1 0 333.356 -1.414 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)Nc1ncccn1 ZINC001135677483 787312379 /nfs/dbraw/zinc/31/23/79/787312379.db2.gz LBROFLFUAYQVNY-SNVBAGLBSA-N 1 0 333.356 -1.414 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)CCn2cnnn2)CC1 ZINC001135677486 787311756 /nfs/dbraw/zinc/31/17/56/787311756.db2.gz LJPCXYKSCNTLJY-UHFFFAOYSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001135677541 787311989 /nfs/dbraw/zinc/31/19/89/787311989.db2.gz NWALTDMTAZAYGO-UHFFFAOYSA-N 1 0 325.358 -1.741 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677648 787311972 /nfs/dbraw/zinc/31/19/72/787311972.db2.gz SGJUPJUTOQDFAE-UHFFFAOYSA-N 1 0 326.361 -1.995 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001135677698 787311720 /nfs/dbraw/zinc/31/17/20/787311720.db2.gz VGUZFZLIVQAPGB-UHFFFAOYSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001135677711 787311818 /nfs/dbraw/zinc/31/18/18/787311818.db2.gz VYHATCLALYSYKR-LLVKDONJSA-N 1 0 325.373 -1.936 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001135677712 787313060 /nfs/dbraw/zinc/31/30/60/787313060.db2.gz VYHATCLALYSYKR-NSHDSACASA-N 1 0 325.373 -1.936 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)CCn2cnnn2)s1 ZINC001135677803 787313547 /nfs/dbraw/zinc/31/35/47/787313547.db2.gz ZZFFRAPTOVAJRS-UHFFFAOYSA-N 1 0 339.385 -1.432 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001135681042 787313270 /nfs/dbraw/zinc/31/32/70/787313270.db2.gz AAQSFUHKYGZXQQ-LLVKDONJSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001135681043 787313260 /nfs/dbraw/zinc/31/32/60/787313260.db2.gz AAQSFUHKYGZXQQ-NSHDSACASA-N 1 0 330.414 -1.406 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCn2cnnn2)CCO1 ZINC001135681061 787313150 /nfs/dbraw/zinc/31/31/50/787313150.db2.gz AKHJPSRPQZEIQM-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCn2cnnn2)CCO1 ZINC001135681063 787313645 /nfs/dbraw/zinc/31/36/45/787313645.db2.gz AKHJPSRPQZEIQM-NSHDSACASA-N 1 0 325.373 -1.984 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681214 787313226 /nfs/dbraw/zinc/31/32/26/787313226.db2.gz DSIOYIDVVWEGBN-UHFFFAOYSA-N 1 0 340.388 -1.607 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681233 787312752 /nfs/dbraw/zinc/31/27/52/787312752.db2.gz FSGGZHPLNWAVRI-NEPJUHHUSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681234 787313426 /nfs/dbraw/zinc/31/34/26/787313426.db2.gz FSGGZHPLNWAVRI-NWDGAFQWSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681235 787313686 /nfs/dbraw/zinc/31/36/86/787313686.db2.gz FSGGZHPLNWAVRI-RYUDHWBXSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681236 787313636 /nfs/dbraw/zinc/31/36/36/787313636.db2.gz FSGGZHPLNWAVRI-VXGBXAGGSA-N 1 0 330.389 -1.819 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135681318 787313715 /nfs/dbraw/zinc/31/37/15/787313715.db2.gz HGEXGZMAZGLGPO-NSHDSACASA-N 1 0 325.373 -2.248 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001135681505 787313030 /nfs/dbraw/zinc/31/30/30/787313030.db2.gz MMOCJPGSMSQOLX-SECBINFHSA-N 1 0 340.306 -1.291 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001135681506 787312707 /nfs/dbraw/zinc/31/27/07/787312707.db2.gz MMOCJPGSMSQOLX-VIFPVBQESA-N 1 0 340.306 -1.291 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)CCn2cnnn2)C1 ZINC001135681645 787312769 /nfs/dbraw/zinc/31/27/69/787312769.db2.gz NZYQKKOTYCRJHF-LLVKDONJSA-N 1 0 345.429 -1.950 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)CCn2cnnn2)C1 ZINC001135681646 787313174 /nfs/dbraw/zinc/31/31/74/787313174.db2.gz NZYQKKOTYCRJHF-NSHDSACASA-N 1 0 345.429 -1.950 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+]CCNC(=O)CCn2cnnn2)n1 ZINC001135681704 787312850 /nfs/dbraw/zinc/31/28/50/787312850.db2.gz QKZXCKAPNGCYCN-UHFFFAOYSA-N 1 0 336.404 -1.247 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681917 787312682 /nfs/dbraw/zinc/31/26/82/787312682.db2.gz YOQFIKCOMQIPMR-UHFFFAOYSA-N 1 0 340.388 -1.749 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001135684083 787312813 /nfs/dbraw/zinc/31/28/13/787312813.db2.gz AQNLBBAMQSWRHH-UHFFFAOYSA-N 1 0 332.368 -1.520 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001135684322 787313743 /nfs/dbraw/zinc/31/37/43/787313743.db2.gz GSDZFKWSAOKRHP-UHFFFAOYSA-N 1 0 325.373 -1.936 20 0 EAADRO CCc1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n(C)n1 ZINC001135684496 787312898 /nfs/dbraw/zinc/31/28/98/787312898.db2.gz JNYNIZDODXMEOO-UHFFFAOYSA-N 1 0 348.407 -1.101 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135684706 787312595 /nfs/dbraw/zinc/31/25/95/787312595.db2.gz UGAZEJPFJADBBQ-SECBINFHSA-N 1 0 326.361 -1.997 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135684707 787312661 /nfs/dbraw/zinc/31/26/61/787312661.db2.gz UGAZEJPFJADBBQ-VIFPVBQESA-N 1 0 326.361 -1.997 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135686381 787312920 /nfs/dbraw/zinc/31/29/20/787312920.db2.gz HMGHWTHEAFNLON-BDAKNGLRSA-N 1 0 329.401 -1.031 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135686382 787313665 /nfs/dbraw/zinc/31/36/65/787313665.db2.gz HMGHWTHEAFNLON-DTWKUNHWSA-N 1 0 329.401 -1.031 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135686383 787312926 /nfs/dbraw/zinc/31/29/26/787312926.db2.gz HMGHWTHEAFNLON-IUCAKERBSA-N 1 0 329.401 -1.031 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135686384 787312886 /nfs/dbraw/zinc/31/28/86/787312886.db2.gz HMGHWTHEAFNLON-RKDXNWHRSA-N 1 0 329.401 -1.031 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135686617 787312992 /nfs/dbraw/zinc/31/29/92/787312992.db2.gz LIIPBBUHPLVFQM-GHMZBOCLSA-N 1 0 339.396 -1.454 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135686618 787313604 /nfs/dbraw/zinc/31/36/04/787313604.db2.gz LIIPBBUHPLVFQM-MNOVXSKESA-N 1 0 339.396 -1.454 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135686619 787312721 /nfs/dbraw/zinc/31/27/21/787312721.db2.gz LIIPBBUHPLVFQM-QWRGUYRKSA-N 1 0 339.396 -1.454 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135686620 787313723 /nfs/dbraw/zinc/31/37/23/787313723.db2.gz LIIPBBUHPLVFQM-WDEREUQCSA-N 1 0 339.396 -1.454 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135688052 787313109 /nfs/dbraw/zinc/31/31/09/787313109.db2.gz ZPGMELPRHJPWPY-NXEZZACHSA-N 1 0 325.369 -1.715 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135688053 787313513 /nfs/dbraw/zinc/31/35/13/787313513.db2.gz ZPGMELPRHJPWPY-UWVGGRQHSA-N 1 0 325.369 -1.715 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135688054 787313585 /nfs/dbraw/zinc/31/35/85/787313585.db2.gz ZPGMELPRHJPWPY-VHSXEESVSA-N 1 0 325.369 -1.715 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]CC(N)=O ZINC001135688055 787313462 /nfs/dbraw/zinc/31/34/62/787313462.db2.gz ZPGMELPRHJPWPY-ZJUUUORDSA-N 1 0 325.369 -1.715 20 0 EAADRO CCc1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n(C)n1 ZINC001135688481 787312931 /nfs/dbraw/zinc/31/29/31/787312931.db2.gz RXXDLYJVNANUOJ-UHFFFAOYSA-N 1 0 336.396 -1.740 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]Cc1nnnn1C ZINC001135691966 787314486 /nfs/dbraw/zinc/31/44/86/787314486.db2.gz CEXCTPLRNSGXKC-BDAKNGLRSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135691967 787315072 /nfs/dbraw/zinc/31/50/72/787315072.db2.gz CEXCTPLRNSGXKC-DTWKUNHWSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135691968 787314426 /nfs/dbraw/zinc/31/44/26/787314426.db2.gz CEXCTPLRNSGXKC-IUCAKERBSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135691969 787314900 /nfs/dbraw/zinc/31/49/00/787314900.db2.gz CEXCTPLRNSGXKC-RKDXNWHRSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1CC(=O)NC1=O ZINC001135691994 787315480 /nfs/dbraw/zinc/31/54/80/787315480.db2.gz CLQSSOITYBLFGW-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1CC(=O)NC1=O ZINC001135691995 787314577 /nfs/dbraw/zinc/31/45/77/787314577.db2.gz CLQSSOITYBLFGW-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1CC(=O)NC1=O ZINC001135691996 787314077 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ZINC001135692647 787313199 /nfs/dbraw/zinc/31/31/99/787313199.db2.gz OYARNMDYPFNLQE-UWVGGRQHSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CC(=O)NC1=O ZINC001135692648 787312552 /nfs/dbraw/zinc/31/25/52/787312552.db2.gz OYARNMDYPFNLQE-VHSXEESVSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]CC(=O)N(C)C ZINC001135692649 787312624 /nfs/dbraw/zinc/31/26/24/787312624.db2.gz OYARNMDYPFNLQE-ZJUUUORDSA-N 1 0 327.385 -1.501 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692682 787313126 /nfs/dbraw/zinc/31/31/26/787313126.db2.gz PITXWDFMRHENTP-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692683 787312510 /nfs/dbraw/zinc/31/25/10/787312510.db2.gz PITXWDFMRHENTP-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692684 787313300 /nfs/dbraw/zinc/31/33/00/787313300.db2.gz PITXWDFMRHENTP-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692685 787313215 /nfs/dbraw/zinc/31/32/15/787313215.db2.gz PITXWDFMRHENTP-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CN1CC(=O)NC1=O ZINC001135692734 787313696 /nfs/dbraw/zinc/31/36/96/787313696.db2.gz QBUONGZHVHFMPH-GHMZBOCLSA-N 1 0 330.385 -1.580 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]CCOCCO ZINC001135692735 787312562 /nfs/dbraw/zinc/31/25/62/787312562.db2.gz QBUONGZHVHFMPH-MNOVXSKESA-N 1 0 330.385 -1.580 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1CC(=O)NC1=O ZINC001135692736 787313807 /nfs/dbraw/zinc/31/38/07/787313807.db2.gz QBUONGZHVHFMPH-QWRGUYRKSA-N 1 0 330.385 -1.580 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1CC(=O)NC1=O ZINC001135692737 787312865 /nfs/dbraw/zinc/31/28/65/787312865.db2.gz QBUONGZHVHFMPH-WDEREUQCSA-N 1 0 330.385 -1.580 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692794 787313503 /nfs/dbraw/zinc/31/35/03/787313503.db2.gz QUYKDWKYYXYVIP-GHMZBOCLSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692795 787313015 /nfs/dbraw/zinc/31/30/15/787313015.db2.gz QUYKDWKYYXYVIP-MNOVXSKESA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692796 787312633 /nfs/dbraw/zinc/31/26/33/787312633.db2.gz QUYKDWKYYXYVIP-QWRGUYRKSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692797 787313097 /nfs/dbraw/zinc/31/30/97/787313097.db2.gz QUYKDWKYYXYVIP-WDEREUQCSA-N 1 0 341.412 -1.064 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC(=O)NC1=O ZINC001135692878 787313706 /nfs/dbraw/zinc/31/37/06/787313706.db2.gz SINRHEZOKRLLFS-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]CC(=O)N1CCC1 ZINC001135692879 787312497 /nfs/dbraw/zinc/31/24/97/787312497.db2.gz SINRHEZOKRLLFS-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC(=O)NC1=O ZINC001135692880 787312794 /nfs/dbraw/zinc/31/27/94/787312794.db2.gz SINRHEZOKRLLFS-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC(=O)NC1=O ZINC001135692881 787312805 /nfs/dbraw/zinc/31/28/05/787312805.db2.gz SINRHEZOKRLLFS-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135692962 787312782 /nfs/dbraw/zinc/31/27/82/787312782.db2.gz VAGIPRBBRXHTKR-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135692963 787313366 /nfs/dbraw/zinc/31/33/66/787313366.db2.gz VAGIPRBBRXHTKR-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135692964 787313393 /nfs/dbraw/zinc/31/33/93/787313393.db2.gz VAGIPRBBRXHTKR-VHSXEESVSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]Cc1cnnn1C ZINC001135692965 787314802 /nfs/dbraw/zinc/31/48/02/787314802.db2.gz VAGIPRBBRXHTKR-ZJUUUORDSA-N 1 0 337.384 -1.260 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692986 787313927 /nfs/dbraw/zinc/31/39/27/787313927.db2.gz VLXJQRJUSGRWMZ-NXEZZACHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692987 787314645 /nfs/dbraw/zinc/31/46/45/787314645.db2.gz VLXJQRJUSGRWMZ-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692988 787314621 /nfs/dbraw/zinc/31/46/21/787314621.db2.gz VLXJQRJUSGRWMZ-VHSXEESVSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692989 787314373 /nfs/dbraw/zinc/31/43/73/787314373.db2.gz VLXJQRJUSGRWMZ-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693006 787315317 /nfs/dbraw/zinc/31/53/17/787315317.db2.gz VWNAZNFRKNCLMS-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693007 787315604 /nfs/dbraw/zinc/31/56/04/787315604.db2.gz VWNAZNFRKNCLMS-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693008 787314157 /nfs/dbraw/zinc/31/41/57/787314157.db2.gz VWNAZNFRKNCLMS-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693009 787315008 /nfs/dbraw/zinc/31/50/08/787315008.db2.gz VWNAZNFRKNCLMS-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1ncnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135693086 787314983 /nfs/dbraw/zinc/31/49/83/787314983.db2.gz XAYBGSWUPHJSTF-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135693087 787314657 /nfs/dbraw/zinc/31/46/57/787314657.db2.gz XAYBGSWUPHJSTF-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)CN1CC(=O)NC1=O ZINC001135693088 787314130 /nfs/dbraw/zinc/31/41/30/787314130.db2.gz XAYBGSWUPHJSTF-VHSXEESVSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001135693089 787314281 /nfs/dbraw/zinc/31/42/81/787314281.db2.gz XAYBGSWUPHJSTF-ZJUUUORDSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC(=O)NC1=O ZINC001135693102 787314921 /nfs/dbraw/zinc/31/49/21/787314921.db2.gz XIPIUEGFPBEERW-HTQZYQBOSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC(=O)NC1=O ZINC001135693103 787314251 /nfs/dbraw/zinc/31/42/51/787314251.db2.gz XIPIUEGFPBEERW-JGVFFNPUSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]CC(=O)NC(N)=O ZINC001135693104 787314115 /nfs/dbraw/zinc/31/41/15/787314115.db2.gz XIPIUEGFPBEERW-SFYZADRCSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC(=O)NC1=O ZINC001135693105 787315216 /nfs/dbraw/zinc/31/52/16/787315216.db2.gz XIPIUEGFPBEERW-YUMQZZPRSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC(=O)NC1=O ZINC001135693254 787315551 /nfs/dbraw/zinc/31/55/51/787315551.db2.gz ZLIYDKHELQYEFX-NXEZZACHSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC(=O)NC1=O ZINC001135693255 787315451 /nfs/dbraw/zinc/31/54/51/787315451.db2.gz ZLIYDKHELQYEFX-UWVGGRQHSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC(=O)NC1=O ZINC001135693256 787315417 /nfs/dbraw/zinc/31/54/17/787315417.db2.gz ZLIYDKHELQYEFX-VHSXEESVSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]CC(=O)NC1CC1 ZINC001135693257 787315501 /nfs/dbraw/zinc/31/55/01/787315501.db2.gz ZLIYDKHELQYEFX-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1CC(=O)NC1=O ZINC001135693270 787315461 /nfs/dbraw/zinc/31/54/61/787315461.db2.gz ZTCLCACNOBCCKD-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1CC(=O)NC1=O ZINC001135693271 787314030 /nfs/dbraw/zinc/31/40/30/787314030.db2.gz ZTCLCACNOBCCKD-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1CC(=O)NC1=O ZINC001135693272 787315020 /nfs/dbraw/zinc/31/50/20/787315020.db2.gz ZTCLCACNOBCCKD-VHSXEESVSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]Cc1cnn(C)n1 ZINC001135693273 787314169 /nfs/dbraw/zinc/31/41/69/787314169.db2.gz ZTCLCACNOBCCKD-ZJUUUORDSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)CN1CC(=O)NC1=O ZINC001135697987 787313941 /nfs/dbraw/zinc/31/39/41/787313941.db2.gz BAWOKODORDJQDF-GHMZBOCLSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH2+]CCn1cncn1 ZINC001135697988 787315584 /nfs/dbraw/zinc/31/55/84/787315584.db2.gz BAWOKODORDJQDF-MNOVXSKESA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)CN1CC(=O)NC1=O ZINC001135697989 787314812 /nfs/dbraw/zinc/31/48/12/787314812.db2.gz BAWOKODORDJQDF-QWRGUYRKSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)CN1CC(=O)NC1=O ZINC001135697990 787314952 /nfs/dbraw/zinc/31/49/52/787314952.db2.gz BAWOKODORDJQDF-WDEREUQCSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CNC(=O)C1CCOCC1 ZINC001135701014 787314873 /nfs/dbraw/zinc/31/48/73/787314873.db2.gz CGQRRVOATSJUCI-GHMZBOCLSA-N 1 0 328.413 -1.113 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CCOCC1)[NH2+]CC(N)=O ZINC001135701015 787314338 /nfs/dbraw/zinc/31/43/38/787314338.db2.gz CGQRRVOATSJUCI-MNOVXSKESA-N 1 0 328.413 -1.113 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CNC(=O)C1CCOCC1 ZINC001135701016 787314789 /nfs/dbraw/zinc/31/47/89/787314789.db2.gz CGQRRVOATSJUCI-QWRGUYRKSA-N 1 0 328.413 -1.113 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CNC(=O)C1CCOCC1 ZINC001135701017 787315123 /nfs/dbraw/zinc/31/51/23/787315123.db2.gz CGQRRVOATSJUCI-WDEREUQCSA-N 1 0 328.413 -1.113 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)CCn1cnnn1)c1nccs1 ZINC001135702292 787314600 /nfs/dbraw/zinc/31/46/00/787314600.db2.gz FDKRHUCQBOUZPH-UHFFFAOYSA-N 1 0 338.397 -1.112 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001135702299 787313984 /nfs/dbraw/zinc/31/39/84/787313984.db2.gz FKTAVBCKNTYSQY-GFCCVEGCSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001135702300 787314508 /nfs/dbraw/zinc/31/45/08/787314508.db2.gz FKTAVBCKNTYSQY-LBPRGKRZSA-N 1 0 342.400 -1.675 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702338 787314885 /nfs/dbraw/zinc/31/48/85/787314885.db2.gz GTJHRTBAQCVDMR-UHFFFAOYSA-N 1 0 341.416 -1.300 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NC(=O)NC1CC1 ZINC001135702373 787315228 /nfs/dbraw/zinc/31/52/28/787315228.db2.gz IHACFTDWVLNIFX-SECBINFHSA-N 1 0 338.372 -1.854 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NC(=O)NC1CC1 ZINC001135702374 787314740 /nfs/dbraw/zinc/31/47/40/787314740.db2.gz IHACFTDWVLNIFX-VIFPVBQESA-N 1 0 338.372 -1.854 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001135702443 787315094 /nfs/dbraw/zinc/31/50/94/787315094.db2.gz IIYUOLKPGFOYNY-SECBINFHSA-N 1 0 349.317 -1.068 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001135702447 787314050 /nfs/dbraw/zinc/31/40/50/787314050.db2.gz IIYUOLKPGFOYNY-VIFPVBQESA-N 1 0 349.317 -1.068 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702463 787316902 /nfs/dbraw/zinc/31/69/02/787316902.db2.gz IXZDLSZXAIRXNH-UHFFFAOYSA-N 1 0 335.372 -1.252 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702475 787317525 /nfs/dbraw/zinc/31/75/25/787317525.db2.gz JJYJBYLEWCHTKL-JTQLQIEISA-N 1 0 340.388 -1.608 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702476 787316991 /nfs/dbraw/zinc/31/69/91/787316991.db2.gz JJYJBYLEWCHTKL-SNVBAGLBSA-N 1 0 340.388 -1.608 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001135702499 787316037 /nfs/dbraw/zinc/31/60/37/787316037.db2.gz JVFDSLWIQFKJNI-CHWSQXEVSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001135702501 787316739 /nfs/dbraw/zinc/31/67/39/787316739.db2.gz JVFDSLWIQFKJNI-OLZOCXBDSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001135702502 787317513 /nfs/dbraw/zinc/31/75/13/787317513.db2.gz JVFDSLWIQFKJNI-QWHCGFSZSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001135702504 787315793 /nfs/dbraw/zinc/31/57/93/787315793.db2.gz JVFDSLWIQFKJNI-STQMWFEESA-N 1 0 342.400 -1.675 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NCC(F)(F)F ZINC001135702513 787317225 /nfs/dbraw/zinc/31/72/25/787317225.db2.gz KEHDBUKOLRTDPH-MRVPVSSYSA-N 1 0 337.306 -1.164 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NCC(F)(F)F ZINC001135702514 787317424 /nfs/dbraw/zinc/31/74/24/787317424.db2.gz KEHDBUKOLRTDPH-QMMMGPOBSA-N 1 0 337.306 -1.164 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001135702566 787316846 /nfs/dbraw/zinc/31/68/46/787316846.db2.gz MNOONMZZJRQHQE-LLVKDONJSA-N 1 0 325.373 -2.078 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001135702567 787316646 /nfs/dbraw/zinc/31/66/46/787316646.db2.gz MNOONMZZJRQHQE-NSHDSACASA-N 1 0 325.373 -2.078 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702577 787316453 /nfs/dbraw/zinc/31/64/53/787316453.db2.gz NDKRAFYQUYPVEH-GFCCVEGCSA-N 1 0 341.416 -1.300 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702678 787317121 /nfs/dbraw/zinc/31/71/21/787317121.db2.gz NDKRAFYQUYPVEH-LBPRGKRZSA-N 1 0 341.416 -1.300 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)CCn3cnnn3)C2=O)cn1 ZINC001135702684 787316944 /nfs/dbraw/zinc/31/69/44/787316944.db2.gz NFVMLPMVUXGYPY-GFCCVEGCSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)CCn3cnnn3)C2=O)cn1 ZINC001135702685 787317318 /nfs/dbraw/zinc/31/73/18/787317318.db2.gz NFVMLPMVUXGYPY-LBPRGKRZSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)CCn3cnnn3)C2=O)n1 ZINC001135702695 787316543 /nfs/dbraw/zinc/31/65/43/787316543.db2.gz NPAQJTNRLGUQHS-LLVKDONJSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)CCn3cnnn3)C2=O)n1 ZINC001135702696 787317547 /nfs/dbraw/zinc/31/75/47/787317547.db2.gz NPAQJTNRLGUQHS-NSHDSACASA-N 1 0 347.383 -1.692 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702706 787317022 /nfs/dbraw/zinc/31/70/22/787317022.db2.gz NZZHUQKGTZVWTJ-UHFFFAOYSA-N 1 0 333.418 -1.950 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CCn2cnnn2)n(C)n1 ZINC001135702728 787315946 /nfs/dbraw/zinc/31/59/46/787315946.db2.gz PHBZQRRXDMIARU-UHFFFAOYSA-N 1 0 335.372 -1.550 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001135702741 787316353 /nfs/dbraw/zinc/31/63/53/787316353.db2.gz QBYYDBDUUDSBEW-JTQLQIEISA-N 1 0 339.356 -2.721 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001135702742 787316374 /nfs/dbraw/zinc/31/63/74/787316374.db2.gz QBYYDBDUUDSBEW-SNVBAGLBSA-N 1 0 339.356 -2.721 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001135702760 787317248 /nfs/dbraw/zinc/31/72/48/787317248.db2.gz QWLCSLMEDPOJQD-GFCCVEGCSA-N 1 0 338.368 -1.060 20 0 EAADRO O=C(CCn1cnnn1)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001135702761 787316471 /nfs/dbraw/zinc/31/64/71/787316471.db2.gz QWLCSLMEDPOJQD-LBPRGKRZSA-N 1 0 338.368 -1.060 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702771 787316362 /nfs/dbraw/zinc/31/63/62/787316362.db2.gz RQSZRWQHZDOUHR-UHFFFAOYSA-N 1 0 348.429 -1.780 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702880 787315923 /nfs/dbraw/zinc/31/59/23/787315923.db2.gz SDDQICWFDXYHRK-UHFFFAOYSA-N 1 0 340.388 -1.605 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702883 787315887 /nfs/dbraw/zinc/31/58/87/787315887.db2.gz SHWCKFIXKARBLV-UHFFFAOYSA-N 1 0 332.430 -1.018 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702885 787315772 /nfs/dbraw/zinc/31/57/72/787315772.db2.gz SMZAYEOHGBQEQC-UHFFFAOYSA-N 1 0 349.399 -1.242 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702892 787316395 /nfs/dbraw/zinc/31/63/95/787316395.db2.gz SUYILCQVYLUMDY-LLVKDONJSA-N 1 0 327.389 -1.690 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702893 787316789 /nfs/dbraw/zinc/31/67/89/787316789.db2.gz SUYILCQVYLUMDY-NSHDSACASA-N 1 0 327.389 -1.690 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCn2cnnn2)C[C@H](C)O1 ZINC001135702910 787316315 /nfs/dbraw/zinc/31/63/15/787316315.db2.gz UJRCSJFBGISCEO-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCn2cnnn2)C[C@H](C)O1 ZINC001135702911 787316627 /nfs/dbraw/zinc/31/66/27/787316627.db2.gz UJRCSJFBGISCEO-TXEJJXNPSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCn2cnnn2)C[C@@H](C)O1 ZINC001135702912 787316666 /nfs/dbraw/zinc/31/66/66/787316666.db2.gz UJRCSJFBGISCEO-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702930 787316205 /nfs/dbraw/zinc/31/62/05/787316205.db2.gz UUMYKMCLFIJPEL-UHFFFAOYSA-N 1 0 349.399 -1.839 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NC[C@@H]1CCCO1 ZINC001135702938 787316721 /nfs/dbraw/zinc/31/67/21/787316721.db2.gz UZKWALZLLQWQNN-NEPJUHHUSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NC[C@H]1CCCO1 ZINC001135702939 787317141 /nfs/dbraw/zinc/31/71/41/787317141.db2.gz UZKWALZLLQWQNN-NWDGAFQWSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NC[C@@H]1CCCO1 ZINC001135702940 787317089 /nfs/dbraw/zinc/31/70/89/787317089.db2.gz UZKWALZLLQWQNN-RYUDHWBXSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCn1cnnn1)C(=O)NC[C@H]1CCCO1 ZINC001135702941 787315898 /nfs/dbraw/zinc/31/58/98/787315898.db2.gz UZKWALZLLQWQNN-VXGBXAGGSA-N 1 0 339.400 -1.547 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)CCn2cnnn2)n(C)c1=O ZINC001135703141 787316182 /nfs/dbraw/zinc/31/61/82/787316182.db2.gz XXTXMFCJEIBULW-UHFFFAOYSA-N 1 0 336.356 -2.633 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)CCn2cnnn2)C1=O ZINC001135703201 787315838 /nfs/dbraw/zinc/31/58/38/787315838.db2.gz ZRUBZAPFHFOJQN-UHFFFAOYSA-N 1 0 338.372 -1.901 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135703215 787316686 /nfs/dbraw/zinc/31/66/86/787316686.db2.gz ZZTWTAHNLHFMPM-UHFFFAOYSA-N 1 0 337.306 -1.210 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1)C(=O)N(C)C ZINC001135707035 787315973 /nfs/dbraw/zinc/31/59/73/787315973.db2.gz RXCZGVKJMRFTQJ-JTQLQIEISA-N 1 0 340.388 -2.638 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCn1cnnn1)C(=O)N(C)C ZINC001135707036 787316163 /nfs/dbraw/zinc/31/61/63/787316163.db2.gz RXCZGVKJMRFTQJ-SNVBAGLBSA-N 1 0 340.388 -2.638 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CCC(=O)NC1CCCC1 ZINC001135707159 787316918 /nfs/dbraw/zinc/31/69/18/787316918.db2.gz XQWXHAVKWKCFPF-UHFFFAOYSA-N 1 0 327.385 -1.274 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nc2ncccn2n1)[NH2+]CC(=O)NC(N)=O ZINC001135709240 787314550 /nfs/dbraw/zinc/31/45/50/787314550.db2.gz RUXCIGOVSHSXRJ-BDAKNGLRSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001135709241 787314517 /nfs/dbraw/zinc/31/45/17/787314517.db2.gz RUXCIGOVSHSXRJ-DTWKUNHWSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001135709242 787315405 /nfs/dbraw/zinc/31/54/05/787315405.db2.gz RUXCIGOVSHSXRJ-IUCAKERBSA-N 1 0 348.367 -1.194 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001135709243 787314353 /nfs/dbraw/zinc/31/43/53/787314353.db2.gz RUXCIGOVSHSXRJ-RKDXNWHRSA-N 1 0 348.367 -1.194 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC(=O)NC1CCCC1 ZINC001135711066 787315379 /nfs/dbraw/zinc/31/53/79/787315379.db2.gz AVUKOGHDJYVPFW-UHFFFAOYSA-N 1 0 341.412 -1.013 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnon1 ZINC001135713267 787315438 /nfs/dbraw/zinc/31/54/38/787315438.db2.gz XKGRBTUUNDXCDE-NXEZZACHSA-N 1 0 338.368 -1.486 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnon1 ZINC001135713268 787315190 /nfs/dbraw/zinc/31/51/90/787315190.db2.gz XKGRBTUUNDXCDE-UWVGGRQHSA-N 1 0 338.368 -1.486 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnon1 ZINC001135713269 787314932 /nfs/dbraw/zinc/31/49/32/787314932.db2.gz XKGRBTUUNDXCDE-VHSXEESVSA-N 1 0 338.368 -1.486 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cnon1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135713270 787315045 /nfs/dbraw/zinc/31/50/45/787315045.db2.gz XKGRBTUUNDXCDE-ZJUUUORDSA-N 1 0 338.368 -1.486 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ncccn1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135729791 787317010 /nfs/dbraw/zinc/31/70/10/787317010.db2.gz LWLMJRWLYJLTDT-NEPJUHHUSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncccn1 ZINC001135729792 787315694 /nfs/dbraw/zinc/31/56/94/787315694.db2.gz LWLMJRWLYJLTDT-NWDGAFQWSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncccn1 ZINC001135729793 787315723 /nfs/dbraw/zinc/31/57/23/787315723.db2.gz LWLMJRWLYJLTDT-RYUDHWBXSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncccn1 ZINC001135729794 787317352 /nfs/dbraw/zinc/31/73/52/787317352.db2.gz LWLMJRWLYJLTDT-VXGBXAGGSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1nnc[nH]1 ZINC001135734248 787317363 /nfs/dbraw/zinc/31/73/63/787317363.db2.gz MAUNZJIUZONSEU-NXEZZACHSA-N 1 0 337.384 -1.750 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1nnc[nH]1 ZINC001135734249 787316242 /nfs/dbraw/zinc/31/62/42/787316242.db2.gz MAUNZJIUZONSEU-UWVGGRQHSA-N 1 0 337.384 -1.750 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1nnc[nH]1 ZINC001135734250 787316279 /nfs/dbraw/zinc/31/62/79/787316279.db2.gz MAUNZJIUZONSEU-VHSXEESVSA-N 1 0 337.384 -1.750 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nnc[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135734251 787317451 /nfs/dbraw/zinc/31/74/51/787317451.db2.gz MAUNZJIUZONSEU-ZJUUUORDSA-N 1 0 337.384 -1.750 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cccnn1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135740168 787317338 /nfs/dbraw/zinc/31/73/38/787317338.db2.gz YKVIZPMYTSTMEX-NEPJUHHUSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cccnn1 ZINC001135740169 787316617 /nfs/dbraw/zinc/31/66/17/787316617.db2.gz YKVIZPMYTSTMEX-NWDGAFQWSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cccnn1 ZINC001135740170 787315758 /nfs/dbraw/zinc/31/57/58/787315758.db2.gz YKVIZPMYTSTMEX-RYUDHWBXSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cccnn1 ZINC001135740171 787316489 /nfs/dbraw/zinc/31/64/89/787316489.db2.gz YKVIZPMYTSTMEX-VXGBXAGGSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1nnc[nH]1 ZINC001135740220 787317282 /nfs/dbraw/zinc/31/72/82/787317282.db2.gz YWZSIIJQZGCUFQ-NXEZZACHSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1nnc[nH]1 ZINC001135740221 787316566 /nfs/dbraw/zinc/31/65/66/787316566.db2.gz YWZSIIJQZGCUFQ-UWVGGRQHSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1nnc[nH]1 ZINC001135740222 787316762 /nfs/dbraw/zinc/31/67/62/787316762.db2.gz YWZSIIJQZGCUFQ-VHSXEESVSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1nnc[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001135740223 787316104 /nfs/dbraw/zinc/31/61/04/787316104.db2.gz YWZSIIJQZGCUFQ-ZJUUUORDSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ccncn1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135747249 787316336 /nfs/dbraw/zinc/31/63/36/787316336.db2.gz PAFQLWHXKGTTPQ-NEPJUHHUSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccncn1 ZINC001135747250 787316070 /nfs/dbraw/zinc/31/60/70/787316070.db2.gz PAFQLWHXKGTTPQ-NWDGAFQWSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccncn1 ZINC001135747251 787316096 /nfs/dbraw/zinc/31/60/96/787316096.db2.gz PAFQLWHXKGTTPQ-RYUDHWBXSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccncn1 ZINC001135747252 787316753 /nfs/dbraw/zinc/31/67/53/787316753.db2.gz PAFQLWHXKGTTPQ-VXGBXAGGSA-N 1 0 348.407 -1.079 20 0 EAADRO O=C(COCc1ccncc1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135752286 787316138 /nfs/dbraw/zinc/31/61/38/787316138.db2.gz FHOQHFUSYNLWLO-UHFFFAOYSA-N 1 0 349.391 -1.738 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)COCc1ccncc1 ZINC001135752546 787316522 /nfs/dbraw/zinc/31/65/22/787316522.db2.gz KIMBLJCPEHZNKG-UHFFFAOYSA-N 1 0 330.410 -1.147 20 0 EAADRO O=C(COCc1ccncc1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135752755 787317164 /nfs/dbraw/zinc/31/71/64/787317164.db2.gz QEKHSVHTVNBYBH-UHFFFAOYSA-N 1 0 335.364 -1.144 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135754414 787315852 /nfs/dbraw/zinc/31/58/52/787315852.db2.gz BUMRSKKURUCNNK-UHFFFAOYSA-N 1 0 338.412 -1.311 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cc2ncc[nH]2)CC1 ZINC001135757695 787318161 /nfs/dbraw/zinc/31/81/61/787318161.db2.gz MEFBDCSBCVLXQT-UHFFFAOYSA-N 1 0 336.396 -1.618 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)Cc2ncc[nH]2)C1 ZINC001135757837 787319129 /nfs/dbraw/zinc/31/91/29/787319129.db2.gz ROTXTWUQGQRXSR-LLVKDONJSA-N 1 0 329.426 -1.061 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)Cc2ncc[nH]2)C1 ZINC001135757838 787317937 /nfs/dbraw/zinc/31/79/37/787317937.db2.gz ROTXTWUQGQRXSR-NSHDSACASA-N 1 0 329.426 -1.061 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCn1cnnn1 ZINC001135758846 787318116 /nfs/dbraw/zinc/31/81/16/787318116.db2.gz COWVGLABRDIZDZ-NXEZZACHSA-N 1 0 337.388 -1.442 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCn1cnnn1 ZINC001135758847 787319308 /nfs/dbraw/zinc/31/93/08/787319308.db2.gz COWVGLABRDIZDZ-UWVGGRQHSA-N 1 0 337.388 -1.442 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCn1cnnn1 ZINC001135758848 787317983 /nfs/dbraw/zinc/31/79/83/787317983.db2.gz COWVGLABRDIZDZ-VHSXEESVSA-N 1 0 337.388 -1.442 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135758849 787318807 /nfs/dbraw/zinc/31/88/07/787318807.db2.gz COWVGLABRDIZDZ-ZJUUUORDSA-N 1 0 337.388 -1.442 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cc2ncc[nH]2)CC1 ZINC001135760080 787317676 /nfs/dbraw/zinc/31/76/76/787317676.db2.gz IKLFRUYLLQXHIY-UHFFFAOYSA-N 1 0 336.396 -1.651 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135760930 787317648 /nfs/dbraw/zinc/31/76/48/787317648.db2.gz VYTBIJNWTVMDTB-UHFFFAOYSA-N 1 0 347.441 -1.386 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CCn1cnnn1 ZINC001135763757 787316059 /nfs/dbraw/zinc/31/60/59/787316059.db2.gz BFGWAGIREQVZHK-GHMZBOCLSA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]CCS(C)(=O)=O ZINC001135763758 787316481 /nfs/dbraw/zinc/31/64/81/787316481.db2.gz BFGWAGIREQVZHK-MNOVXSKESA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CCn1cnnn1 ZINC001135763759 787316513 /nfs/dbraw/zinc/31/65/13/787316513.db2.gz BFGWAGIREQVZHK-QWRGUYRKSA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CCn1cnnn1 ZINC001135763760 787317390 /nfs/dbraw/zinc/31/73/90/787317390.db2.gz BFGWAGIREQVZHK-WDEREUQCSA-N 1 0 332.430 -1.019 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]CC(=O)NC(N)=O ZINC001135764689 787316224 /nfs/dbraw/zinc/31/62/24/787316224.db2.gz OHTXVURMXKMFSE-BDAKNGLRSA-N 1 0 326.361 -1.869 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cnnn1 ZINC001135764690 787318990 /nfs/dbraw/zinc/31/89/90/787318990.db2.gz OHTXVURMXKMFSE-DTWKUNHWSA-N 1 0 326.361 -1.869 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cnnn1 ZINC001135764691 787318890 /nfs/dbraw/zinc/31/88/90/787318890.db2.gz OHTXVURMXKMFSE-IUCAKERBSA-N 1 0 326.361 -1.869 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cnnn1 ZINC001135764692 787319377 /nfs/dbraw/zinc/31/93/77/787319377.db2.gz OHTXVURMXKMFSE-RKDXNWHRSA-N 1 0 326.361 -1.869 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001135765209 787318358 /nfs/dbraw/zinc/31/83/58/787318358.db2.gz RYRVKMRZMXZMOI-NXEZZACHSA-N 1 0 340.388 -1.608 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001135765210 787319365 /nfs/dbraw/zinc/31/93/65/787319365.db2.gz RYRVKMRZMXZMOI-UWVGGRQHSA-N 1 0 340.388 -1.608 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001135765211 787319189 /nfs/dbraw/zinc/31/91/89/787319189.db2.gz RYRVKMRZMXZMOI-VHSXEESVSA-N 1 0 340.388 -1.608 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001135765212 787318684 /nfs/dbraw/zinc/31/86/84/787318684.db2.gz RYRVKMRZMXZMOI-ZJUUUORDSA-N 1 0 340.388 -1.608 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2ncc[nH]2)C1 ZINC001135765892 787318392 /nfs/dbraw/zinc/31/83/92/787318392.db2.gz AJINTEOJKQNSPB-LLVKDONJSA-N 1 0 336.396 -1.618 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2ncc[nH]2)C1 ZINC001135765893 787318513 /nfs/dbraw/zinc/31/85/13/787318513.db2.gz AJINTEOJKQNSPB-NSHDSACASA-N 1 0 336.396 -1.618 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135765949 787317758 /nfs/dbraw/zinc/31/77/58/787317758.db2.gz CMRILIBZTXLBGM-UHFFFAOYSA-N 1 0 338.412 -1.357 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135766063 787318462 /nfs/dbraw/zinc/31/84/62/787318462.db2.gz HIYXVTQPNUICGM-JTQLQIEISA-N 1 0 340.384 -1.481 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135766064 787319388 /nfs/dbraw/zinc/31/93/88/787319388.db2.gz HIYXVTQPNUICGM-SNVBAGLBSA-N 1 0 340.384 -1.481 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cc1ncc[nH]1)NCC(=O)N1CCCC1 ZINC001135766250 787318279 /nfs/dbraw/zinc/31/82/79/787318279.db2.gz NJAXKLPPTJVUEG-UHFFFAOYSA-N 1 0 336.396 -1.603 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCn1cnnn1 ZINC001135768470 787319441 /nfs/dbraw/zinc/31/94/41/787319441.db2.gz PIBRUCNEWTYBPA-GHMZBOCLSA-N 1 0 347.445 -1.515 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]CCNS(C)(=O)=O ZINC001135768471 787319515 /nfs/dbraw/zinc/31/95/15/787319515.db2.gz PIBRUCNEWTYBPA-MNOVXSKESA-N 1 0 347.445 -1.515 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCn1cnnn1 ZINC001135768472 787318104 /nfs/dbraw/zinc/31/81/04/787318104.db2.gz PIBRUCNEWTYBPA-QWRGUYRKSA-N 1 0 347.445 -1.515 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCn1cnnn1 ZINC001135768473 787318418 /nfs/dbraw/zinc/31/84/18/787318418.db2.gz PIBRUCNEWTYBPA-WDEREUQCSA-N 1 0 347.445 -1.515 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]CCN1CCNC1=O ZINC001135768775 787319478 /nfs/dbraw/zinc/31/94/78/787319478.db2.gz SXYAOAMNDMRIKR-NEPJUHHUSA-N 1 0 338.416 -1.039 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001135768781 787318879 /nfs/dbraw/zinc/31/88/79/787318879.db2.gz SXYAOAMNDMRIKR-NWDGAFQWSA-N 1 0 338.416 -1.039 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001135768783 787317928 /nfs/dbraw/zinc/31/79/28/787317928.db2.gz SXYAOAMNDMRIKR-RYUDHWBXSA-N 1 0 338.416 -1.039 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001135768784 787318151 /nfs/dbraw/zinc/31/81/51/787318151.db2.gz SXYAOAMNDMRIKR-VXGBXAGGSA-N 1 0 338.416 -1.039 20 0 EAADRO C[C@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001135776737 787319090 /nfs/dbraw/zinc/31/90/90/787319090.db2.gz MUDAIVLDRQZTCN-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001135776738 787318968 /nfs/dbraw/zinc/31/89/68/787318968.db2.gz MUDAIVLDRQZTCN-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001135776739 787317735 /nfs/dbraw/zinc/31/77/35/787317735.db2.gz MUDAIVLDRQZTCN-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001135776740 787318222 /nfs/dbraw/zinc/31/82/22/787318222.db2.gz MUDAIVLDRQZTCN-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001135777773 787319067 /nfs/dbraw/zinc/31/90/67/787319067.db2.gz ZMLOUZNOBYGICQ-GXTWGEPZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001135777774 787318576 /nfs/dbraw/zinc/31/85/76/787318576.db2.gz ZMLOUZNOBYGICQ-JSGCOSHPSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001135777775 787318737 /nfs/dbraw/zinc/31/87/37/787318737.db2.gz ZMLOUZNOBYGICQ-OCCSQVGLSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001135777776 787317813 /nfs/dbraw/zinc/31/78/13/787317813.db2.gz ZMLOUZNOBYGICQ-TZMCWYRMSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001135783584 787318322 /nfs/dbraw/zinc/31/83/22/787318322.db2.gz RITIPAIHVJUYSU-AAEUAGOBSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001135783585 787319419 /nfs/dbraw/zinc/31/94/19/787319419.db2.gz RITIPAIHVJUYSU-DGCLKSJQSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001135783586 787318370 /nfs/dbraw/zinc/31/83/70/787318370.db2.gz RITIPAIHVJUYSU-WCQYABFASA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001135783587 787318592 /nfs/dbraw/zinc/31/85/92/787318592.db2.gz RITIPAIHVJUYSU-YPMHNXCESA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001135784528 787318190 /nfs/dbraw/zinc/31/81/90/787318190.db2.gz IMUYWDOYRZLVIN-NXEZZACHSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001135784529 787319005 /nfs/dbraw/zinc/31/90/05/787319005.db2.gz IMUYWDOYRZLVIN-UWVGGRQHSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001135784530 787319121 /nfs/dbraw/zinc/31/91/21/787319121.db2.gz IMUYWDOYRZLVIN-VHSXEESVSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001135784531 787319348 /nfs/dbraw/zinc/31/93/48/787319348.db2.gz IMUYWDOYRZLVIN-ZJUUUORDSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(=O)NCC1CC1)[NH2+]CC(=O)NC(N)=O ZINC001135784620 787318695 /nfs/dbraw/zinc/31/86/95/787318695.db2.gz KRDXWRHAVVCLRG-BDAKNGLRSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001135784621 787317797 /nfs/dbraw/zinc/31/77/97/787317797.db2.gz KRDXWRHAVVCLRG-DTWKUNHWSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001135784622 787318842 /nfs/dbraw/zinc/31/88/42/787318842.db2.gz KRDXWRHAVVCLRG-IUCAKERBSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001135784623 787318922 /nfs/dbraw/zinc/31/89/22/787318922.db2.gz KRDXWRHAVVCLRG-RKDXNWHRSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C(=O)NCC1CC1 ZINC001135785076 787318612 /nfs/dbraw/zinc/31/86/12/787318612.db2.gz QQNITHXVVGFCIG-GHMZBOCLSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)C(=O)NCC1CC1)[NH2+]CCNS(C)(=O)=O ZINC001135785077 787317895 /nfs/dbraw/zinc/31/78/95/787317895.db2.gz QQNITHXVVGFCIG-MNOVXSKESA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C(=O)NCC1CC1 ZINC001135785078 787318138 /nfs/dbraw/zinc/31/81/38/787318138.db2.gz QQNITHXVVGFCIG-QWRGUYRKSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C(=O)NCC1CC1 ZINC001135785079 787318312 /nfs/dbraw/zinc/31/83/12/787318312.db2.gz QQNITHXVVGFCIG-WDEREUQCSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135785212 787317836 /nfs/dbraw/zinc/31/78/36/787317836.db2.gz SIAIQXANNZVOLT-HTQZYQBOSA-N 1 0 338.368 -1.205 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135785213 787317870 /nfs/dbraw/zinc/31/78/70/787317870.db2.gz SIAIQXANNZVOLT-JGVFFNPUSA-N 1 0 338.368 -1.205 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001135785214 787319108 /nfs/dbraw/zinc/31/91/08/787319108.db2.gz SIAIQXANNZVOLT-SFYZADRCSA-N 1 0 338.368 -1.205 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135785215 787318298 /nfs/dbraw/zinc/31/82/98/787318298.db2.gz SIAIQXANNZVOLT-YUMQZZPRSA-N 1 0 338.368 -1.205 20 0 EAADRO Cn1ncc2cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)cnc21 ZINC001135787487 787318199 /nfs/dbraw/zinc/31/81/99/787318199.db2.gz MIGYBVUNHCYPBJ-UHFFFAOYSA-N 1 0 340.409 -1.163 20 0 EAADRO Cn1ncc2cc(C(=O)NCC[NH2+]CCN3C(=O)CNC3=O)cnc21 ZINC001135787512 787319016 /nfs/dbraw/zinc/31/90/16/787319016.db2.gz NSMMKOFGONSUPY-UHFFFAOYSA-N 1 0 345.363 -1.161 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnc2c(cnn2C)c1 ZINC001135787763 787319169 /nfs/dbraw/zinc/31/91/69/787319169.db2.gz UTJWXILTOYPUNS-UHFFFAOYSA-N 1 0 333.352 -1.257 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)CCOC1 ZINC001135790551 787318025 /nfs/dbraw/zinc/31/80/25/787318025.db2.gz GMFSTRIHZCWHGW-INIZCTEOSA-N 1 0 340.424 -1.143 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)CCOC1 ZINC001135790552 787318557 /nfs/dbraw/zinc/31/85/57/787318557.db2.gz GMFSTRIHZCWHGW-MRXNPFEDSA-N 1 0 340.424 -1.143 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCOC1 ZINC001135790699 787318429 /nfs/dbraw/zinc/31/84/29/787318429.db2.gz MLLRMKVAPRDGLY-ABAIWWIYSA-N 1 0 344.412 -1.021 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCOC1 ZINC001135790700 787319529 /nfs/dbraw/zinc/31/95/29/787319529.db2.gz MLLRMKVAPRDGLY-IAQYHMDHSA-N 1 0 344.412 -1.021 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCOC1 ZINC001135790701 787319491 /nfs/dbraw/zinc/31/94/91/787319491.db2.gz MLLRMKVAPRDGLY-NHYWBVRUSA-N 1 0 344.412 -1.021 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCOC1 ZINC001135790702 787318008 /nfs/dbraw/zinc/31/80/08/787318008.db2.gz MLLRMKVAPRDGLY-XHDPSFHLSA-N 1 0 344.412 -1.021 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnn(C(F)F)c1)N1CCNC(=O)C1 ZINC001135790746 787318658 /nfs/dbraw/zinc/31/86/58/787318658.db2.gz NQSMZGOVNZLQDO-UHFFFAOYSA-N 1 0 344.322 -1.444 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cnc2c(cnn2C)c1)C(=O)NC(N)=O ZINC001135790772 787317847 /nfs/dbraw/zinc/31/78/47/787317847.db2.gz OPLVDFCJDSTVHN-MRVPVSSYSA-N 1 0 333.352 -1.129 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cnc2c(cnn2C)c1)C(=O)NC(N)=O ZINC001135790773 787319253 /nfs/dbraw/zinc/31/92/53/787319253.db2.gz OPLVDFCJDSTVHN-QMMMGPOBSA-N 1 0 333.352 -1.129 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCOC1)C(=O)N(C)C ZINC001135790936 787317879 /nfs/dbraw/zinc/31/78/79/787317879.db2.gz VGKARIWXHQMFKA-ABAIWWIYSA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCOC1)C(=O)N(C)C ZINC001135790937 787319328 /nfs/dbraw/zinc/31/93/28/787319328.db2.gz VGKARIWXHQMFKA-IAQYHMDHSA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCOC1)C(=O)N(C)C ZINC001135790938 787317783 /nfs/dbraw/zinc/31/77/83/787317783.db2.gz VGKARIWXHQMFKA-NHYWBVRUSA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCOC1)C(=O)N(C)C ZINC001135790939 787318253 /nfs/dbraw/zinc/31/82/53/787318253.db2.gz VGKARIWXHQMFKA-XHDPSFHLSA-N 1 0 328.413 -1.288 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)CCOC1 ZINC001135796558 787320413 /nfs/dbraw/zinc/32/04/13/787320413.db2.gz QFSHBNAXQNSLAG-INIZCTEOSA-N 1 0 340.424 -1.157 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)CCOC1 ZINC001135796559 787319871 /nfs/dbraw/zinc/31/98/71/787319871.db2.gz QFSHBNAXQNSLAG-MRXNPFEDSA-N 1 0 340.424 -1.157 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCOC1 ZINC001135801043 787318546 /nfs/dbraw/zinc/31/85/46/787318546.db2.gz AOMRNKSQFBDSMQ-ABAIWWIYSA-N 1 0 327.381 -1.371 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCOC1 ZINC001135801044 787318851 /nfs/dbraw/zinc/31/88/51/787318851.db2.gz AOMRNKSQFBDSMQ-IAQYHMDHSA-N 1 0 327.381 -1.371 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCOC1 ZINC001135801045 787318868 /nfs/dbraw/zinc/31/88/68/787318868.db2.gz AOMRNKSQFBDSMQ-NHYWBVRUSA-N 1 0 327.381 -1.371 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCOC1 ZINC001135801046 787318340 /nfs/dbraw/zinc/31/83/40/787318340.db2.gz AOMRNKSQFBDSMQ-XHDPSFHLSA-N 1 0 327.381 -1.371 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)CCOC1 ZINC001135801612 787318904 /nfs/dbraw/zinc/31/89/04/787318904.db2.gz PSWQABLBOLWPEN-BLLLJJGKSA-N 1 0 340.424 -1.157 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)CCOC1 ZINC001135801613 787317714 /nfs/dbraw/zinc/31/77/14/787317714.db2.gz PSWQABLBOLWPEN-LRDDRELGSA-N 1 0 340.424 -1.157 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC001135801614 787318046 /nfs/dbraw/zinc/31/80/46/787318046.db2.gz PSWQABLBOLWPEN-MLGOLLRUSA-N 1 0 340.424 -1.157 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC001135801615 787319292 /nfs/dbraw/zinc/31/92/92/787319292.db2.gz PSWQABLBOLWPEN-WBMJQRKESA-N 1 0 340.424 -1.157 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@]2(C)CCOC2)CC1 ZINC001135801935 787320332 /nfs/dbraw/zinc/32/03/32/787320332.db2.gz YEQWOGDNTVOBCR-INIZCTEOSA-N 1 0 340.424 -1.191 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@]2(C)CCOC2)CC1 ZINC001135801936 787319846 /nfs/dbraw/zinc/31/98/46/787319846.db2.gz YEQWOGDNTVOBCR-MRXNPFEDSA-N 1 0 340.424 -1.191 20 0 EAADRO CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135807719 787320401 /nfs/dbraw/zinc/32/04/01/787320401.db2.gz ZGABXTZSKGRFLC-BDAKNGLRSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135807720 787319746 /nfs/dbraw/zinc/31/97/46/787319746.db2.gz ZGABXTZSKGRFLC-DTWKUNHWSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135807721 787320881 /nfs/dbraw/zinc/32/08/81/787320881.db2.gz ZGABXTZSKGRFLC-IUCAKERBSA-N 1 0 325.373 -1.021 20 0 EAADRO CCn1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)nn1 ZINC001135807722 787319765 /nfs/dbraw/zinc/31/97/65/787319765.db2.gz ZGABXTZSKGRFLC-RKDXNWHRSA-N 1 0 325.373 -1.021 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809521 787320678 /nfs/dbraw/zinc/32/06/78/787320678.db2.gz AECGEYHEXHRFAN-CMPLNLGQSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809522 787320036 /nfs/dbraw/zinc/32/00/36/787320036.db2.gz AECGEYHEXHRFAN-JQWIXIFHSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809523 787321007 /nfs/dbraw/zinc/32/10/07/787321007.db2.gz AECGEYHEXHRFAN-PWSUYJOCSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809524 787320079 /nfs/dbraw/zinc/32/00/79/787320079.db2.gz AECGEYHEXHRFAN-ZYHUDNBSSA-N 1 0 342.396 -1.155 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC001135809593 787320188 /nfs/dbraw/zinc/32/01/88/787320188.db2.gz DSNJBXJAXRHZQD-SECBINFHSA-N 1 0 328.394 -1.132 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001135809594 787319894 /nfs/dbraw/zinc/31/98/94/787319894.db2.gz DSNJBXJAXRHZQD-VIFPVBQESA-N 1 0 328.394 -1.132 20 0 EAADRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c2cnn(C)c2n1 ZINC001135809635 787320298 /nfs/dbraw/zinc/32/02/98/787320298.db2.gz GPOOYQCXOABTKZ-UHFFFAOYSA-N 1 0 333.352 -1.209 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1)S(C)(=O)=O ZINC001135809639 787320261 /nfs/dbraw/zinc/32/02/61/787320261.db2.gz GUIDHWBYLVRRIS-UHFFFAOYSA-N 1 0 331.398 -1.676 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809658 787321092 /nfs/dbraw/zinc/32/10/92/787321092.db2.gz HVWISOISLCYBGI-UHFFFAOYSA-N 1 0 325.369 -1.414 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]Cc2cc(=O)n3nccc3[nH]2)c1 ZINC001135809664 787320818 /nfs/dbraw/zinc/32/08/18/787320818.db2.gz IFIXORHQXIWGSQ-UHFFFAOYSA-N 1 0 343.347 -1.031 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)c1 ZINC001135809818 787321219 /nfs/dbraw/zinc/32/12/19/787321219.db2.gz NOJXJIBSMBUAIZ-UHFFFAOYSA-N 1 0 343.409 -1.532 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809959 787321139 /nfs/dbraw/zinc/32/11/39/787321139.db2.gz UVNVGQOAXCYJQK-LLVKDONJSA-N 1 0 328.369 -1.543 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809960 787320068 /nfs/dbraw/zinc/32/00/68/787320068.db2.gz UVNVGQOAXCYJQK-NSHDSACASA-N 1 0 328.369 -1.543 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809983 787320438 /nfs/dbraw/zinc/32/04/38/787320438.db2.gz VKROEQROTHDSNI-UHFFFAOYSA-N 1 0 345.425 -1.238 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)c1 ZINC001135810029 787320613 /nfs/dbraw/zinc/32/06/13/787320613.db2.gz XOVYIXFVPSDIGR-NSHDSACASA-N 1 0 337.380 -1.584 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)c1 ZINC001135812797 787320021 /nfs/dbraw/zinc/32/00/21/787320021.db2.gz CHTBJECSFYVEBZ-UHFFFAOYSA-N 1 0 336.352 -1.625 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135812932 787320586 /nfs/dbraw/zinc/32/05/86/787320586.db2.gz JDBLRANESUZUJW-UHFFFAOYSA-N 1 0 331.398 -1.628 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC001135812963 787319703 /nfs/dbraw/zinc/31/97/03/787319703.db2.gz KNBOVJAIXNFAQY-JTQLQIEISA-N 1 0 337.380 -1.320 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC001135812964 787320003 /nfs/dbraw/zinc/32/00/03/787320003.db2.gz KNBOVJAIXNFAQY-SNVBAGLBSA-N 1 0 337.380 -1.320 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135813037 787321256 /nfs/dbraw/zinc/32/12/56/787321256.db2.gz ODGQYVLAWGJYRV-UHFFFAOYSA-N 1 0 345.425 -1.286 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)c1 ZINC001135813188 787319651 /nfs/dbraw/zinc/31/96/51/787319651.db2.gz VJNNKLLUNDHZQK-JTQLQIEISA-N 1 0 337.380 -1.414 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)c1 ZINC001135813189 787319815 /nfs/dbraw/zinc/31/98/15/787319815.db2.gz VJNNKLLUNDHZQK-SNVBAGLBSA-N 1 0 337.380 -1.414 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135814933 787321013 /nfs/dbraw/zinc/32/10/13/787321013.db2.gz FVBMTFKMYUISRM-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135814934 787321279 /nfs/dbraw/zinc/32/12/79/787321279.db2.gz FVBMTFKMYUISRM-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135814935 787320123 /nfs/dbraw/zinc/32/01/23/787320123.db2.gz FVBMTFKMYUISRM-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135814936 787320745 /nfs/dbraw/zinc/32/07/45/787320745.db2.gz FVBMTFKMYUISRM-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135815845 787319958 /nfs/dbraw/zinc/31/99/58/787319958.db2.gz BBPHGGQCRGXAJH-UHFFFAOYSA-N 1 0 325.369 -1.414 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)c1 ZINC001135815899 787320374 /nfs/dbraw/zinc/32/03/74/787320374.db2.gz DNSHBONRPCTIFP-UHFFFAOYSA-N 1 0 331.336 -1.138 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)c1 ZINC001135815920 787320237 /nfs/dbraw/zinc/32/02/37/787320237.db2.gz FGSQRTYWIYRJCE-UHFFFAOYSA-N 1 0 336.352 -1.579 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001135816099 787320903 /nfs/dbraw/zinc/32/09/03/787320903.db2.gz IXXMHOULYZRDQQ-UHFFFAOYSA-N 1 0 336.352 -2.609 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816112 787320452 /nfs/dbraw/zinc/32/04/52/787320452.db2.gz JIERHFBBISEGGW-MRVPVSSYSA-N 1 0 338.368 -1.333 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816113 787319681 /nfs/dbraw/zinc/31/96/81/787319681.db2.gz JIERHFBBISEGGW-QMMMGPOBSA-N 1 0 338.368 -1.333 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816281 787321078 /nfs/dbraw/zinc/32/10/78/787321078.db2.gz NODPCZFOGKIFHV-UHFFFAOYSA-N 1 0 325.369 -1.414 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816282 787319793 /nfs/dbraw/zinc/31/97/93/787319793.db2.gz NPNIESKAQODBKJ-UHFFFAOYSA-N 1 0 338.368 -1.331 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)c1 ZINC001135816296 787320351 /nfs/dbraw/zinc/32/03/51/787320351.db2.gz OLKYSLUUHHWWBM-LLVKDONJSA-N 1 0 337.380 -1.272 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)c1 ZINC001135816297 787320844 /nfs/dbraw/zinc/32/08/44/787320844.db2.gz OLKYSLUUHHWWBM-NSHDSACASA-N 1 0 337.380 -1.272 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)c1 ZINC001135816306 787321327 /nfs/dbraw/zinc/32/13/27/787321327.db2.gz OZSLYDWGZARRLQ-UHFFFAOYSA-N 1 0 337.380 -1.272 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCc1nncn1C ZINC001135818843 787321269 /nfs/dbraw/zinc/32/12/69/787321269.db2.gz NMJJFTVUYMRJTB-GHMZBOCLSA-N 1 0 326.401 -1.049 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCc1nncn1C ZINC001135818847 787320689 /nfs/dbraw/zinc/32/06/89/787320689.db2.gz NMJJFTVUYMRJTB-MNOVXSKESA-N 1 0 326.401 -1.049 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCc1nncn1C ZINC001135818848 787320283 /nfs/dbraw/zinc/32/02/83/787320283.db2.gz NMJJFTVUYMRJTB-QWRGUYRKSA-N 1 0 326.401 -1.049 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCc1nncn1C ZINC001135818849 787320714 /nfs/dbraw/zinc/32/07/14/787320714.db2.gz NMJJFTVUYMRJTB-WDEREUQCSA-N 1 0 326.401 -1.049 20 0 EAADRO Cc1nonc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135824019 787319722 /nfs/dbraw/zinc/31/97/22/787319722.db2.gz LRFBONRQXUVTSQ-HTQZYQBOSA-N 1 0 326.357 -1.012 20 0 EAADRO Cc1nonc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135824020 787320229 /nfs/dbraw/zinc/32/02/29/787320229.db2.gz LRFBONRQXUVTSQ-JGVFFNPUSA-N 1 0 326.357 -1.012 20 0 EAADRO Cc1nonc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135824021 787321175 /nfs/dbraw/zinc/32/11/75/787321175.db2.gz LRFBONRQXUVTSQ-SFYZADRCSA-N 1 0 326.357 -1.012 20 0 EAADRO Cc1nonc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135824022 787321316 /nfs/dbraw/zinc/32/13/16/787321316.db2.gz LRFBONRQXUVTSQ-YUMQZZPRSA-N 1 0 326.357 -1.012 20 0 EAADRO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)c1 ZINC001135825942 787320769 /nfs/dbraw/zinc/32/07/69/787320769.db2.gz IRYHXLRGBHFEAD-UHFFFAOYSA-N 1 0 337.365 -1.077 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135826132 787321197 /nfs/dbraw/zinc/32/11/97/787321197.db2.gz MNTGBXBSXJAXDK-JTQLQIEISA-N 1 0 339.396 -1.026 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135826141 787320531 /nfs/dbraw/zinc/32/05/31/787320531.db2.gz MNTGBXBSXJAXDK-SNVBAGLBSA-N 1 0 339.396 -1.026 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2cc(C(N)=O)c[nH]2)cc(=O)n(C)c1=O ZINC001135826338 787320088 /nfs/dbraw/zinc/32/00/88/787320088.db2.gz QHZCXEMCPHLXGN-UHFFFAOYSA-N 1 0 348.363 -1.969 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCc1ncnn1C ZINC001135831254 787320321 /nfs/dbraw/zinc/32/03/21/787320321.db2.gz YBLYGULGJJFXDL-GHMZBOCLSA-N 1 0 326.401 -1.049 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCc1ncnn1C ZINC001135831255 787321303 /nfs/dbraw/zinc/32/13/03/787321303.db2.gz YBLYGULGJJFXDL-MNOVXSKESA-N 1 0 326.401 -1.049 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCc1ncnn1C ZINC001135831256 787321291 /nfs/dbraw/zinc/32/12/91/787321291.db2.gz YBLYGULGJJFXDL-QWRGUYRKSA-N 1 0 326.401 -1.049 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCc1ncnn1C ZINC001135831257 787319774 /nfs/dbraw/zinc/31/97/74/787319774.db2.gz YBLYGULGJJFXDL-WDEREUQCSA-N 1 0 326.401 -1.049 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]CCS(C)(=O)=O)c(=O)n1 ZINC001135831436 787321238 /nfs/dbraw/zinc/32/12/38/787321238.db2.gz CBPVBKIUVAMESH-UHFFFAOYSA-N 1 0 330.410 -1.389 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)c(=O)n1 ZINC001135833026 787320951 /nfs/dbraw/zinc/32/09/51/787320951.db2.gz GZVSYTBAQHNAFX-LLVKDONJSA-N 1 0 335.364 -1.629 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c(=O)n1 ZINC001135833027 787321111 /nfs/dbraw/zinc/32/11/11/787321111.db2.gz GZVSYTBAQHNAFX-NSHDSACASA-N 1 0 335.364 -1.629 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]CCN2CCNC2=O)c(=O)n1 ZINC001135833087 787321049 /nfs/dbraw/zinc/32/10/49/787321049.db2.gz IWZBCIVGWGQXKA-UHFFFAOYSA-N 1 0 336.396 -1.409 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c(C)cc(C)nc1=O ZINC001135833167 787321029 /nfs/dbraw/zinc/32/10/29/787321029.db2.gz KWHQNELCZHIQKA-UHFFFAOYSA-N 1 0 338.368 -1.978 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)c(=O)n1 ZINC001135833398 787320560 /nfs/dbraw/zinc/32/05/60/787320560.db2.gz PSWNECBSNRVMMH-UHFFFAOYSA-N 1 0 345.425 -1.885 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001135838790 787320487 /nfs/dbraw/zinc/32/04/87/787320487.db2.gz VGLCQOIOMGWKHY-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001135838792 787320205 /nfs/dbraw/zinc/32/02/05/787320205.db2.gz VGLCQOIOMGWKHY-NWDGAFQWSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001135838793 787320047 /nfs/dbraw/zinc/32/00/47/787320047.db2.gz VGLCQOIOMGWKHY-RYUDHWBXSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001135838795 787320974 /nfs/dbraw/zinc/32/09/74/787320974.db2.gz VGLCQOIOMGWKHY-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c(=O)n1 ZINC001135849740 787320657 /nfs/dbraw/zinc/32/06/57/787320657.db2.gz CRBOLQROSNHOGF-JTQLQIEISA-N 1 0 338.368 -1.851 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c(=O)n1 ZINC001135849741 787321150 /nfs/dbraw/zinc/32/11/50/787321150.db2.gz CRBOLQROSNHOGF-SNVBAGLBSA-N 1 0 338.368 -1.851 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)c(=O)n1 ZINC001135849907 787322728 /nfs/dbraw/zinc/32/27/28/787322728.db2.gz GAEACOCQKYOTQV-AWEZNQCLSA-N 1 0 348.407 -1.176 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)c(=O)n1 ZINC001135849908 787322911 /nfs/dbraw/zinc/32/29/11/787322911.db2.gz GAEACOCQKYOTQV-CQSZACIVSA-N 1 0 348.407 -1.176 20 0 EAADRO Cc1cc(C)n(CC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)c(=O)n1 ZINC001135850883 787322039 /nfs/dbraw/zinc/32/20/39/787322039.db2.gz WGJSXSOEORUCEN-UHFFFAOYSA-N 1 0 349.391 -1.285 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135876363 787322337 /nfs/dbraw/zinc/32/23/37/787322337.db2.gz NZBXBLVEPJPDNC-NXEZZACHSA-N 1 0 327.385 -1.453 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135876364 787322282 /nfs/dbraw/zinc/32/22/82/787322282.db2.gz NZBXBLVEPJPDNC-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135876365 787321491 /nfs/dbraw/zinc/32/14/91/787321491.db2.gz NZBXBLVEPJPDNC-VHSXEESVSA-N 1 0 327.385 -1.453 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135876366 787322920 /nfs/dbraw/zinc/32/29/20/787322920.db2.gz NZBXBLVEPJPDNC-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC001135877252 787322504 /nfs/dbraw/zinc/32/25/04/787322504.db2.gz HMLNSMKEQDUWDM-LBPRGKRZSA-N 1 0 338.416 -2.069 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135882268 787322026 /nfs/dbraw/zinc/32/20/26/787322026.db2.gz JSOHPPYRJOTLKT-NXEZZACHSA-N 1 0 341.412 -1.064 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135882269 787321629 /nfs/dbraw/zinc/32/16/29/787321629.db2.gz JSOHPPYRJOTLKT-UWVGGRQHSA-N 1 0 341.412 -1.064 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135882270 787321570 /nfs/dbraw/zinc/32/15/70/787321570.db2.gz JSOHPPYRJOTLKT-VHSXEESVSA-N 1 0 341.412 -1.064 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135882271 787322671 /nfs/dbraw/zinc/32/26/71/787322671.db2.gz JSOHPPYRJOTLKT-ZJUUUORDSA-N 1 0 341.412 -1.064 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001135882820 787323009 /nfs/dbraw/zinc/32/30/09/787323009.db2.gz UIDZZXTWUMTUJW-GHMZBOCLSA-N 1 0 338.412 -1.261 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2)[NH2+]CC(N)=O ZINC001135882821 787322077 /nfs/dbraw/zinc/32/20/77/787322077.db2.gz UIDZZXTWUMTUJW-MNOVXSKESA-N 1 0 338.412 -1.261 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001135882822 787323065 /nfs/dbraw/zinc/32/30/65/787323065.db2.gz UIDZZXTWUMTUJW-QWRGUYRKSA-N 1 0 338.412 -1.261 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001135882823 787322154 /nfs/dbraw/zinc/32/21/54/787322154.db2.gz UIDZZXTWUMTUJW-WDEREUQCSA-N 1 0 338.412 -1.261 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C)[NH2+]CC(N)=O ZINC001135882924 787321673 /nfs/dbraw/zinc/32/16/73/787321673.db2.gz VTXRPRIXMYAZDJ-BDAKNGLRSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135882925 787322328 /nfs/dbraw/zinc/32/23/28/787322328.db2.gz VTXRPRIXMYAZDJ-DTWKUNHWSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135882926 787323093 /nfs/dbraw/zinc/32/30/93/787323093.db2.gz VTXRPRIXMYAZDJ-IUCAKERBSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135882927 787321983 /nfs/dbraw/zinc/32/19/83/787321983.db2.gz VTXRPRIXMYAZDJ-RKDXNWHRSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC(=O)NCC1CC1 ZINC001135889883 787322575 /nfs/dbraw/zinc/32/25/75/787322575.db2.gz AOQJURSMDFVASI-NXEZZACHSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC(=O)NCC1CC1 ZINC001135889884 787322016 /nfs/dbraw/zinc/32/20/16/787322016.db2.gz AOQJURSMDFVASI-UWVGGRQHSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC(=O)NCC1CC1 ZINC001135889885 787321727 /nfs/dbraw/zinc/32/17/27/787321727.db2.gz AOQJURSMDFVASI-VHSXEESVSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CC(=O)NCC1CC1)[NH2+]CC(=O)NC(N)=O ZINC001135889886 787322864 /nfs/dbraw/zinc/32/28/64/787322864.db2.gz AOQJURSMDFVASI-ZJUUUORDSA-N 1 0 341.412 -1.030 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(-c2ccncc2)c1 ZINC001135892346 787322876 /nfs/dbraw/zinc/32/28/76/787322876.db2.gz GBXJWDRUPQKDIX-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCC(=O)NC1=O)[NH2+]CCOCCO ZINC001135893666 787322383 /nfs/dbraw/zinc/32/23/83/787322383.db2.gz PYQYCNSGMBQYPA-NEPJUHHUSA-N 1 0 344.412 -1.190 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1CCC(=O)NC1=O ZINC001135893667 787321824 /nfs/dbraw/zinc/32/18/24/787321824.db2.gz PYQYCNSGMBQYPA-NWDGAFQWSA-N 1 0 344.412 -1.190 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1CCC(=O)NC1=O ZINC001135893668 787322718 /nfs/dbraw/zinc/32/27/18/787322718.db2.gz PYQYCNSGMBQYPA-RYUDHWBXSA-N 1 0 344.412 -1.190 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CN1CCC(=O)NC1=O ZINC001135893669 787322495 /nfs/dbraw/zinc/32/24/95/787322495.db2.gz PYQYCNSGMBQYPA-VXGBXAGGSA-N 1 0 344.412 -1.190 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CCC(=O)NC1=O ZINC001135894018 787322613 /nfs/dbraw/zinc/32/26/13/787322613.db2.gz WAEKAVBWGZQLCP-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCC(=O)NC1=O)[NH2+]CC(=O)N(C)C ZINC001135894019 787322143 /nfs/dbraw/zinc/32/21/43/787322143.db2.gz WAEKAVBWGZQLCP-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CCC(=O)NC1=O ZINC001135894020 787321886 /nfs/dbraw/zinc/32/18/86/787321886.db2.gz WAEKAVBWGZQLCP-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CCC(=O)NC1=O ZINC001135894021 787323128 /nfs/dbraw/zinc/32/31/28/787323128.db2.gz WAEKAVBWGZQLCP-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135894206 787322534 /nfs/dbraw/zinc/32/25/34/787322534.db2.gz YTXYESLQPMCCKQ-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135894207 787321640 /nfs/dbraw/zinc/32/16/40/787321640.db2.gz YTXYESLQPMCCKQ-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135894208 787321786 /nfs/dbraw/zinc/32/17/86/787321786.db2.gz YTXYESLQPMCCKQ-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135894209 787322408 /nfs/dbraw/zinc/32/24/08/787322408.db2.gz YTXYESLQPMCCKQ-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cc1nc[nH]n1 ZINC001135895469 787322744 /nfs/dbraw/zinc/32/27/44/787322744.db2.gz ISVNWQPIFOLTNZ-NXEZZACHSA-N 1 0 337.384 -1.228 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cc1nc[nH]n1 ZINC001135895470 787322658 /nfs/dbraw/zinc/32/26/58/787322658.db2.gz ISVNWQPIFOLTNZ-UWVGGRQHSA-N 1 0 337.384 -1.228 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cc1nc[nH]n1 ZINC001135895471 787321765 /nfs/dbraw/zinc/32/17/65/787321765.db2.gz ISVNWQPIFOLTNZ-VHSXEESVSA-N 1 0 337.384 -1.228 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cc1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001135895472 787322471 /nfs/dbraw/zinc/32/24/71/787322471.db2.gz ISVNWQPIFOLTNZ-ZJUUUORDSA-N 1 0 337.384 -1.228 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cc1nc[nH]n1 ZINC001135896193 787321867 /nfs/dbraw/zinc/32/18/67/787321867.db2.gz RRSCTUOQYNYVSU-NXEZZACHSA-N 1 0 332.430 -1.231 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cc1nc[nH]n1 ZINC001135896194 787321744 /nfs/dbraw/zinc/32/17/44/787321744.db2.gz RRSCTUOQYNYVSU-UWVGGRQHSA-N 1 0 332.430 -1.231 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cc1nc[nH]n1 ZINC001135896195 787322842 /nfs/dbraw/zinc/32/28/42/787322842.db2.gz RRSCTUOQYNYVSU-VHSXEESVSA-N 1 0 332.430 -1.231 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cc1nc[nH]n1)[NH2+]CCNS(C)(=O)=O ZINC001135896196 787321707 /nfs/dbraw/zinc/32/17/07/787321707.db2.gz RRSCTUOQYNYVSU-ZJUUUORDSA-N 1 0 332.430 -1.231 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C(=O)NCC1CC1)NC1CCOCC1 ZINC001135900145 787322639 /nfs/dbraw/zinc/32/26/39/787322639.db2.gz ACRKCWNOJSYCPO-UHFFFAOYSA-N 1 0 326.397 -1.486 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135900198 787321514 /nfs/dbraw/zinc/32/15/14/787321514.db2.gz CRSODDJPQVLRNK-SECBINFHSA-N 1 0 327.385 -1.547 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135900199 787321992 /nfs/dbraw/zinc/32/19/92/787321992.db2.gz CRSODDJPQVLRNK-VIFPVBQESA-N 1 0 327.385 -1.547 20 0 EAADRO CCOCCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)cn1 ZINC001135900351 787322703 /nfs/dbraw/zinc/32/27/03/787322703.db2.gz JLJDJDAHNCUDQT-JTQLQIEISA-N 1 0 340.384 -1.178 20 0 EAADRO CCOCCn1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)cn1 ZINC001135900352 787323108 /nfs/dbraw/zinc/32/31/08/787323108.db2.gz JLJDJDAHNCUDQT-SNVBAGLBSA-N 1 0 340.384 -1.178 20 0 EAADRO CCOCCn1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001135900442 787322972 /nfs/dbraw/zinc/32/29/72/787322972.db2.gz NPXCBTUVLLBCBD-UHFFFAOYSA-N 1 0 326.357 -1.566 20 0 EAADRO CCOCCn1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001135900540 787322353 /nfs/dbraw/zinc/32/23/53/787322353.db2.gz 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O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)C(=O)NCC(F)(F)F ZINC001135911087 787324042 /nfs/dbraw/zinc/32/40/42/787324042.db2.gz UOMRHGCBCISFSV-VIFPVBQESA-N 1 0 337.302 -1.372 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)NCC(F)(F)F ZINC001135911112 787324029 /nfs/dbraw/zinc/32/40/29/787324029.db2.gz VJQAXMCLJVHWLR-MRVPVSSYSA-N 1 0 345.343 -1.195 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)NCC(F)(F)F ZINC001135911113 787323755 /nfs/dbraw/zinc/32/37/55/787323755.db2.gz VJQAXMCLJVHWLR-QMMMGPOBSA-N 1 0 345.343 -1.195 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)(F)F ZINC001135913517 787324379 /nfs/dbraw/zinc/32/43/79/787324379.db2.gz BBGJCPVNJXXSAC-UHFFFAOYSA-N 1 0 342.318 -1.477 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135913560 787324127 /nfs/dbraw/zinc/32/41/27/787324127.db2.gz CTVYAFPMLPKHGG-LLVKDONJSA-N 1 0 328.413 -1.240 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135913561 787324602 /nfs/dbraw/zinc/32/46/02/787324602.db2.gz CTVYAFPMLPKHGG-NSHDSACASA-N 1 0 328.413 -1.240 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)(F)F ZINC001135913596 787323861 /nfs/dbraw/zinc/32/38/61/787323861.db2.gz DSTDRZYLXPNPTR-UHFFFAOYSA-N 1 0 342.318 -1.477 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)C(=O)NCC2CC2)C1=O ZINC001135913623 787325014 /nfs/dbraw/zinc/32/50/14/787325014.db2.gz FINZZLCNYVSBNC-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO CN(CC[NH2+]CCNC(=O)C(=O)NCC(F)(F)F)S(C)(=O)=O ZINC001135913641 787324963 /nfs/dbraw/zinc/32/49/63/787324963.db2.gz FZLLALDPDQPXEQ-UHFFFAOYSA-N 1 0 348.347 -1.738 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)C(=O)NCC2CC2)n(C)n1 ZINC001135913735 787323943 /nfs/dbraw/zinc/32/39/43/787323943.db2.gz JHOCMZKGEHYPHM-UHFFFAOYSA-N 1 0 336.396 -1.101 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C(=O)NCC(F)(F)F)N1CCOCC1 ZINC001135913740 787324183 /nfs/dbraw/zinc/32/41/83/787324183.db2.gz JKNKUGSXFDOISA-UHFFFAOYSA-N 1 0 340.302 -1.771 20 0 EAADRO C[C@@H]1CCC[C@H](C)N1C(=O)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135913772 787323422 /nfs/dbraw/zinc/32/34/22/787323422.db2.gz KFQSIYCXOLERBU-AOOOYVTPSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H]1CCC[C@@H](C)N1C(=O)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135913773 787323716 /nfs/dbraw/zinc/32/37/16/787323716.db2.gz KFQSIYCXOLERBU-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H]1CCC[C@H](C)N1C(=O)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135913774 787324260 /nfs/dbraw/zinc/32/42/60/787324260.db2.gz KFQSIYCXOLERBU-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)(F)F ZINC001135913778 787323815 /nfs/dbraw/zinc/32/38/15/787323815.db2.gz KILJWPOXBOSJRG-UHFFFAOYSA-N 1 0 327.263 -2.174 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135913805 787324946 /nfs/dbraw/zinc/32/49/46/787324946.db2.gz LDKAEJISYGGQKV-JTQLQIEISA-N 1 0 341.412 -1.159 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135913806 787324325 /nfs/dbraw/zinc/32/43/25/787324325.db2.gz LDKAEJISYGGQKV-SNVBAGLBSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)C(=O)NCC1CC1)C(=O)NC(=O)NC1CC1 ZINC001135913829 787324684 /nfs/dbraw/zinc/32/46/84/787324684.db2.gz LQECFRVSNZKMIK-SECBINFHSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)C(=O)NCC1CC1)C(=O)NC(=O)NC1CC1 ZINC001135913830 787325023 /nfs/dbraw/zinc/32/50/23/787325023.db2.gz LQECFRVSNZKMIK-VIFPVBQESA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1[C@H](C)CCC[C@H]1C ZINC001135913885 787323398 /nfs/dbraw/zinc/32/33/98/787323398.db2.gz NGVUHFQIEUHFSU-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC001135913886 787324657 /nfs/dbraw/zinc/32/46/57/787324657.db2.gz NGVUHFQIEUHFSU-PHIMTYICSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001135913887 787323572 /nfs/dbraw/zinc/32/35/72/787323572.db2.gz NGVUHFQIEUHFSU-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)C(=O)NCC2CC2)cc(=O)n(C)c1=O ZINC001135913919 787323795 /nfs/dbraw/zinc/32/37/95/787323795.db2.gz OHESEEDSBCPLGA-UHFFFAOYSA-N 1 0 337.380 -2.184 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135913963 787324760 /nfs/dbraw/zinc/32/47/60/787324760.db2.gz PTTNRERGAXOXNP-UHFFFAOYSA-N 1 0 341.412 -1.156 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1)C(=O)N(C)C ZINC001135914061 787324584 /nfs/dbraw/zinc/32/45/84/787324584.db2.gz SYQKBUUIIULJID-JTQLQIEISA-N 1 0 341.412 -2.189 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1)C(=O)N(C)C ZINC001135914062 787324797 /nfs/dbraw/zinc/32/47/97/787324797.db2.gz SYQKBUUIIULJID-SNVBAGLBSA-N 1 0 341.412 -2.189 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)(F)F ZINC001135914086 787324229 /nfs/dbraw/zinc/32/42/29/787324229.db2.gz UQUFBDOBJCVXGI-UHFFFAOYSA-N 1 0 341.290 -1.784 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919537 787325881 /nfs/dbraw/zinc/32/58/81/787325881.db2.gz FFFALHZHSCWQNO-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919538 787326178 /nfs/dbraw/zinc/32/61/78/787326178.db2.gz FFFALHZHSCWQNO-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919539 787326269 /nfs/dbraw/zinc/32/62/69/787326269.db2.gz FFFALHZHSCWQNO-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919540 787325943 /nfs/dbraw/zinc/32/59/43/787325943.db2.gz FFFALHZHSCWQNO-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919629 787325928 /nfs/dbraw/zinc/32/59/28/787325928.db2.gz HFCDGAUAUCVKRR-NXEZZACHSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919630 787326217 /nfs/dbraw/zinc/32/62/17/787326217.db2.gz HFCDGAUAUCVKRR-UWVGGRQHSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919631 787326742 /nfs/dbraw/zinc/32/67/42/787326742.db2.gz HFCDGAUAUCVKRR-VHSXEESVSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135919632 787326059 /nfs/dbraw/zinc/32/60/59/787326059.db2.gz HFCDGAUAUCVKRR-ZJUUUORDSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920293 787326690 /nfs/dbraw/zinc/32/66/90/787326690.db2.gz RBYBXHDAUQSWEE-GHMZBOCLSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O)[NH2+]CC(=O)N(C)C ZINC001135920294 787325869 /nfs/dbraw/zinc/32/58/69/787325869.db2.gz RBYBXHDAUQSWEE-MNOVXSKESA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920295 787326454 /nfs/dbraw/zinc/32/64/54/787326454.db2.gz RBYBXHDAUQSWEE-QWRGUYRKSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920296 787325343 /nfs/dbraw/zinc/32/53/43/787325343.db2.gz RBYBXHDAUQSWEE-WDEREUQCSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O)[NH2+]CCOCCO ZINC001135920633 787326028 /nfs/dbraw/zinc/32/60/28/787326028.db2.gz XPJJVYKUHIJPJR-NEPJUHHUSA-N 1 0 344.412 -1.238 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920634 787326791 /nfs/dbraw/zinc/32/67/91/787326791.db2.gz XPJJVYKUHIJPJR-NWDGAFQWSA-N 1 0 344.412 -1.238 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920635 787326004 /nfs/dbraw/zinc/32/60/04/787326004.db2.gz XPJJVYKUHIJPJR-RYUDHWBXSA-N 1 0 344.412 -1.238 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920636 787325997 /nfs/dbraw/zinc/32/59/97/787325997.db2.gz XPJJVYKUHIJPJR-VXGBXAGGSA-N 1 0 344.412 -1.238 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923278 787326854 /nfs/dbraw/zinc/32/68/54/787326854.db2.gz JMHDWSOMUNOSRN-NXEZZACHSA-N 1 0 349.395 -1.008 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923279 787325172 /nfs/dbraw/zinc/32/51/72/787325172.db2.gz JMHDWSOMUNOSRN-UWVGGRQHSA-N 1 0 349.395 -1.008 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923282 787326576 /nfs/dbraw/zinc/32/65/76/787326576.db2.gz JMHDWSOMUNOSRN-VHSXEESVSA-N 1 0 349.395 -1.008 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1)[NH2+]CC(=O)N(C)C ZINC001135923284 787326807 /nfs/dbraw/zinc/32/68/07/787326807.db2.gz JMHDWSOMUNOSRN-ZJUUUORDSA-N 1 0 349.395 -1.008 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923645 787326188 /nfs/dbraw/zinc/32/61/88/787326188.db2.gz MHOJSIKAKZGTAJ-BDAKNGLRSA-N 1 0 335.368 -1.350 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923646 787326067 /nfs/dbraw/zinc/32/60/67/787326067.db2.gz MHOJSIKAKZGTAJ-DTWKUNHWSA-N 1 0 335.368 -1.350 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923647 787325358 /nfs/dbraw/zinc/32/53/58/787325358.db2.gz MHOJSIKAKZGTAJ-IUCAKERBSA-N 1 0 335.368 -1.350 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923648 787326248 /nfs/dbraw/zinc/32/62/48/787326248.db2.gz MHOJSIKAKZGTAJ-RKDXNWHRSA-N 1 0 335.368 -1.350 20 0 EAADRO COc1c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O)[nH]c(=O)[nH]c1=O ZINC001135932085 787326111 /nfs/dbraw/zinc/32/61/11/787326111.db2.gz HADODSKWYVTVER-BQBZGAKWSA-N 1 0 327.341 -1.132 20 0 EAADRO COc1c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O)[nH]c(=O)[nH]c1=O ZINC001135932086 787326646 /nfs/dbraw/zinc/32/66/46/787326646.db2.gz HADODSKWYVTVER-NKWVEPMBSA-N 1 0 327.341 -1.132 20 0 EAADRO COc1c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O)[nH]c(=O)[nH]c1=O ZINC001135932087 787325629 /nfs/dbraw/zinc/32/56/29/787325629.db2.gz HADODSKWYVTVER-RNFRBKRXSA-N 1 0 327.341 -1.132 20 0 EAADRO COc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O)[nH]c(=O)[nH]c1=O ZINC001135932088 787326517 /nfs/dbraw/zinc/32/65/17/787326517.db2.gz HADODSKWYVTVER-RQJHMYQMSA-N 1 0 327.341 -1.132 20 0 EAADRO CCC1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCOCC1 ZINC001135949727 787326618 /nfs/dbraw/zinc/32/66/18/787326618.db2.gz BIRUXFACWSRBCX-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO C[C@]1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCCOC1 ZINC001135951786 787326387 /nfs/dbraw/zinc/32/63/87/787326387.db2.gz LXQSMZBHAULDRL-HNNXBMFYSA-N 1 0 326.397 -1.533 20 0 EAADRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCCOC1 ZINC001135951787 787325955 /nfs/dbraw/zinc/32/59/55/787325955.db2.gz LXQSMZBHAULDRL-OAHLLOKOSA-N 1 0 326.397 -1.533 20 0 EAADRO Cn1[nH]c(CNCCNC(=O)COC2CC[NH+](C)CC2)nc1=O ZINC001135959029 787326486 /nfs/dbraw/zinc/32/64/86/787326486.db2.gz JOEZDFBGPQCAIZ-UHFFFAOYSA-N 1 0 326.401 -1.575 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001135965087 787326666 /nfs/dbraw/zinc/32/66/66/787326666.db2.gz ATULXCQCBRAEBI-UHFFFAOYSA-N 1 0 337.384 -2.034 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135965364 787326766 /nfs/dbraw/zinc/32/67/66/787326766.db2.gz JYKHDDWXNAUCAH-UHFFFAOYSA-N 1 0 337.384 -1.147 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cn(CC2CC2)nn1)NC(=O)NC1CC1 ZINC001135965566 787325423 /nfs/dbraw/zinc/32/54/23/787325423.db2.gz OTKFHNMVTDCOJP-UHFFFAOYSA-N 1 0 349.395 -1.004 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cn(CC2CC2)nn1)N1CCNC(=O)C1 ZINC001135965886 787325908 /nfs/dbraw/zinc/32/59/08/787325908.db2.gz VKIFAODKOWUMEU-UHFFFAOYSA-N 1 0 349.395 -2.034 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cn(CC2CC2)nn1)N1CCOCC1 ZINC001135965925 787325612 /nfs/dbraw/zinc/32/56/12/787325612.db2.gz WSHIUKWFKMGKFV-UHFFFAOYSA-N 1 0 336.396 -1.134 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NCC)nn1 ZINC001135965966 787325151 /nfs/dbraw/zinc/32/51/51/787325151.db2.gz ZABJHQFWYIMSCU-UHFFFAOYSA-N 1 0 325.373 -1.147 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cn(CC2CC2)nn1)S(C)(=O)=O ZINC001135965979 787325542 /nfs/dbraw/zinc/32/55/42/787325542.db2.gz ZOPWHRRAWBMEAQ-UHFFFAOYSA-N 1 0 344.441 -1.101 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)nn1 ZINC001135965985 787325106 /nfs/dbraw/zinc/32/51/06/787325106.db2.gz ZXQWCBQLCAWRJG-UHFFFAOYSA-N 1 0 337.384 -1.004 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)nn1 ZINC001135969877 787325728 /nfs/dbraw/zinc/32/57/28/787325728.db2.gz AWEBNNCDGOTIPV-LBPRGKRZSA-N 1 0 338.412 -1.009 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]CCNS(=O)(=O)CC)nn1 ZINC001135970248 787326535 /nfs/dbraw/zinc/32/65/35/787326535.db2.gz IHODZETVJQUCNT-UHFFFAOYSA-N 1 0 332.430 -1.053 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)nn1 ZINC001135971064 787325214 /nfs/dbraw/zinc/32/52/14/787325214.db2.gz SEKDGXRQTJAYDO-UHFFFAOYSA-N 1 0 332.430 -1.101 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)nn1 ZINC001135971131 787325305 /nfs/dbraw/zinc/32/53/05/787325305.db2.gz VGGNMYLZYYJFHN-UHFFFAOYSA-N 1 0 337.384 -1.051 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001135972618 787325325 /nfs/dbraw/zinc/32/53/25/787325325.db2.gz FFMXOFCBEMWZRX-UHFFFAOYSA-N 1 0 349.395 -1.395 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135972634 787326229 /nfs/dbraw/zinc/32/62/29/787326229.db2.gz GGOPCTSNWWGZFP-UHFFFAOYSA-N 1 0 344.441 -1.053 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cn(CC2CC2)nn1 ZINC001135972898 787325452 /nfs/dbraw/zinc/32/54/52/787325452.db2.gz LEFGEOWZUGIKLT-UHFFFAOYSA-N 1 0 335.368 -1.441 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)nn1 ZINC001135973050 787326869 /nfs/dbraw/zinc/32/68/69/787326869.db2.gz OTHZEYNFUBGCSV-SECBINFHSA-N 1 0 325.373 -1.148 20 0 EAADRO CCCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)nn1 ZINC001135973051 787325793 /nfs/dbraw/zinc/32/57/93/787325793.db2.gz OTHZEYNFUBGCSV-VIFPVBQESA-N 1 0 325.373 -1.148 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135973092 787325563 /nfs/dbraw/zinc/32/55/63/787325563.db2.gz QIBMVJLBSZJUAK-SECBINFHSA-N 1 0 337.384 -1.148 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135973093 787326597 /nfs/dbraw/zinc/32/65/97/787326597.db2.gz QIBMVJLBSZJUAK-VIFPVBQESA-N 1 0 337.384 -1.148 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1cn(CC2CC2)nn1 ZINC001135973131 787326021 /nfs/dbraw/zinc/32/60/21/787326021.db2.gz RWJALPYYPLOWOQ-UHFFFAOYSA-N 1 0 349.395 -1.051 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135973264 787325284 /nfs/dbraw/zinc/32/52/84/787325284.db2.gz TZSCMTIVKBICQK-UHFFFAOYSA-N 1 0 330.414 -1.443 20 0 EAADRO CC(C)n1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001135981384 787326822 /nfs/dbraw/zinc/32/68/22/787326822.db2.gz IAMZECGIZGEFGA-UHFFFAOYSA-N 1 0 349.395 -1.224 20 0 EAADRO CC(C)n1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001135981732 787326351 /nfs/dbraw/zinc/32/63/51/787326351.db2.gz YSAFTPILYNBFHJ-UHFFFAOYSA-N 1 0 337.384 -1.863 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nnn(C(C)C)c1C ZINC001135988828 787326286 /nfs/dbraw/zinc/32/62/86/787326286.db2.gz RNOOCPZXDHDCDZ-UHFFFAOYSA-N 1 0 325.373 -1.058 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001135994110 787326152 /nfs/dbraw/zinc/32/61/52/787326152.db2.gz GDJPZAZXXHXHFL-UHFFFAOYSA-N 1 0 325.373 -1.147 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC001135994346 787326014 /nfs/dbraw/zinc/32/60/14/787326014.db2.gz QAYUZLPBFQQCSB-LLVKDONJSA-N 1 0 344.441 -1.101 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC001135994347 787325740 /nfs/dbraw/zinc/32/57/40/787325740.db2.gz QAYUZLPBFQQCSB-NSHDSACASA-N 1 0 344.441 -1.101 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CCCNS(=O)(=O)CC)nn1 ZINC001135994452 787326444 /nfs/dbraw/zinc/32/64/44/787326444.db2.gz VCZBCTDIMDUMFA-UHFFFAOYSA-N 1 0 332.430 -1.053 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001135994538 787325468 /nfs/dbraw/zinc/32/54/68/787325468.db2.gz YVPQVZIZFVIGAR-UHFFFAOYSA-N 1 0 330.414 -1.347 20 0 EAADRO CNC(=O)C1(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001135995250 787326554 /nfs/dbraw/zinc/32/65/54/787326554.db2.gz BVUXJXCVKCKMQL-NXEZZACHSA-N 1 0 341.412 -1.030 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001135995251 787327952 /nfs/dbraw/zinc/32/79/52/787327952.db2.gz BVUXJXCVKCKMQL-UWVGGRQHSA-N 1 0 341.412 -1.030 20 0 EAADRO CNC(=O)C1(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001135995252 787328954 /nfs/dbraw/zinc/32/89/54/787328954.db2.gz BVUXJXCVKCKMQL-VHSXEESVSA-N 1 0 341.412 -1.030 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001135995253 787328688 /nfs/dbraw/zinc/32/86/88/787328688.db2.gz BVUXJXCVKCKMQL-ZJUUUORDSA-N 1 0 341.412 -1.030 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001135996328 787327481 /nfs/dbraw/zinc/32/74/81/787327481.db2.gz IPYFDYZILCOZMK-SECBINFHSA-N 1 0 325.373 -1.148 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001135996329 787327628 /nfs/dbraw/zinc/32/76/28/787327628.db2.gz IPYFDYZILCOZMK-VIFPVBQESA-N 1 0 325.373 -1.148 20 0 EAADRO CC(C)N(C)C(=O)C1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001135998607 787328644 /nfs/dbraw/zinc/32/86/44/787328644.db2.gz AGFGJUUOPBHKPO-JTQLQIEISA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)N(C)C(=O)C1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001135998608 787327045 /nfs/dbraw/zinc/32/70/45/787327045.db2.gz AGFGJUUOPBHKPO-SNVBAGLBSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)N(C)C(=O)C1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001135998624 787327164 /nfs/dbraw/zinc/32/71/64/787327164.db2.gz BCCJWBONNVTJDH-UHFFFAOYSA-N 1 0 348.469 -1.112 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)nn1 ZINC001135998770 787328892 /nfs/dbraw/zinc/32/88/92/787328892.db2.gz IQDWRTPJSSZPFK-JTQLQIEISA-N 1 0 338.368 -1.873 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)nn1 ZINC001135998771 787328011 /nfs/dbraw/zinc/32/80/11/787328011.db2.gz IQDWRTPJSSZPFK-SNVBAGLBSA-N 1 0 338.368 -1.873 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)nn1 ZINC001135998803 787327612 /nfs/dbraw/zinc/32/76/12/787327612.db2.gz KCZZHXGQHVSTHW-UHFFFAOYSA-N 1 0 332.430 -1.101 20 0 EAADRO CC(C)N(C)C(=O)C1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001135998904 787327504 /nfs/dbraw/zinc/32/75/04/787327504.db2.gz OKZZTBZYXDIHMW-UHFFFAOYSA-N 1 0 327.385 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(=O)N(C)C(C)C)CC1 ZINC001135999116 787328805 /nfs/dbraw/zinc/32/88/05/787328805.db2.gz ZLMCYCBGKWORRV-UHFFFAOYSA-N 1 0 341.412 -1.205 20 0 EAADRO O=C(NCC[NH2+]CCn1cncn1)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000258 787328544 /nfs/dbraw/zinc/32/85/44/787328544.db2.gz BQOSDUJWFYBNAR-GFCCVEGCSA-N 1 0 334.384 -1.074 20 0 EAADRO O=C(NCC[NH2+]CCn1cncn1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000260 787327719 /nfs/dbraw/zinc/32/77/19/787327719.db2.gz BQOSDUJWFYBNAR-LBPRGKRZSA-N 1 0 334.384 -1.074 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)nn1 ZINC001136000678 787327068 /nfs/dbraw/zinc/32/70/68/787327068.db2.gz IFITYMDRVBPKBX-UHFFFAOYSA-N 1 0 337.384 -1.052 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001136000679 787327964 /nfs/dbraw/zinc/32/79/64/787327964.db2.gz IFTWRQAXOZEPLM-UHFFFAOYSA-N 1 0 335.368 -1.785 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1)N1CCC1 ZINC001136000706 787328925 /nfs/dbraw/zinc/32/89/25/787328925.db2.gz IWBCJTBJZMRJGH-GFCCVEGCSA-N 1 0 336.396 -1.134 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1)N1CCC1 ZINC001136000707 787328042 /nfs/dbraw/zinc/32/80/42/787328042.db2.gz IWBCJTBJZMRJGH-LBPRGKRZSA-N 1 0 336.396 -1.134 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1)NC1CC1 ZINC001136001016 787327367 /nfs/dbraw/zinc/32/73/67/787327367.db2.gz MHVWGNHTEUAWON-LLVKDONJSA-N 1 0 336.396 -1.087 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1)NC1CC1 ZINC001136001017 787327413 /nfs/dbraw/zinc/32/74/13/787327413.db2.gz MHVWGNHTEUAWON-NSHDSACASA-N 1 0 336.396 -1.087 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)nn1 ZINC001136001046 787328480 /nfs/dbraw/zinc/32/84/80/787328480.db2.gz NIQSWLAKHBTEGU-SECBINFHSA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)nn1 ZINC001136001186 787327249 /nfs/dbraw/zinc/32/72/49/787327249.db2.gz NIQSWLAKHBTEGU-VIFPVBQESA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)nn1 ZINC001136001413 787328459 /nfs/dbraw/zinc/32/84/59/787328459.db2.gz QCYYKXNQDNOYHA-JTQLQIEISA-N 1 0 339.400 -1.790 20 0 EAADRO CCn1cc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)nn1 ZINC001136001414 787328944 /nfs/dbraw/zinc/32/89/44/787328944.db2.gz QCYYKXNQDNOYHA-SNVBAGLBSA-N 1 0 339.400 -1.790 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCCNC1=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001439 787327671 /nfs/dbraw/zinc/32/76/71/787327671.db2.gz QTTAGHJGWNDSSJ-NEPJUHHUSA-N 1 0 336.396 -1.087 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCCNC1=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001440 787328356 /nfs/dbraw/zinc/32/83/56/787328356.db2.gz QTTAGHJGWNDSSJ-NWDGAFQWSA-N 1 0 336.396 -1.087 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCCNC1=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001523 787328015 /nfs/dbraw/zinc/32/80/15/787328015.db2.gz QTTAGHJGWNDSSJ-RYUDHWBXSA-N 1 0 336.396 -1.087 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCCNC1=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001526 787328397 /nfs/dbraw/zinc/32/83/97/787328397.db2.gz QTTAGHJGWNDSSJ-VXGBXAGGSA-N 1 0 336.396 -1.087 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001661 787327126 /nfs/dbraw/zinc/32/71/26/787327126.db2.gz TVHFIHAPUMYISX-NEPJUHHUSA-N 1 0 327.385 -1.359 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001662 787328859 /nfs/dbraw/zinc/32/88/59/787328859.db2.gz TVHFIHAPUMYISX-NWDGAFQWSA-N 1 0 327.385 -1.359 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001664 787328064 /nfs/dbraw/zinc/32/80/64/787328064.db2.gz TVHFIHAPUMYISX-RYUDHWBXSA-N 1 0 327.385 -1.359 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001666 787328002 /nfs/dbraw/zinc/32/80/02/787328002.db2.gz TVHFIHAPUMYISX-VXGBXAGGSA-N 1 0 327.385 -1.359 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001785 787327320 /nfs/dbraw/zinc/32/73/20/787327320.db2.gz UXXGYWFFJBIYHC-LLVKDONJSA-N 1 0 334.384 -1.037 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001786 787327342 /nfs/dbraw/zinc/32/73/42/787327342.db2.gz UXXGYWFFJBIYHC-NSHDSACASA-N 1 0 334.384 -1.037 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1=O ZINC001136001801 787328278 /nfs/dbraw/zinc/32/82/78/787328278.db2.gz VKHWJYBBUCSPIM-NEPJUHHUSA-N 1 0 336.396 -1.135 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1=O ZINC001136001802 787328756 /nfs/dbraw/zinc/32/87/56/787328756.db2.gz VKHWJYBBUCSPIM-NWDGAFQWSA-N 1 0 336.396 -1.135 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1=O ZINC001136001803 787327771 /nfs/dbraw/zinc/32/77/71/787327771.db2.gz VKHWJYBBUCSPIM-RYUDHWBXSA-N 1 0 336.396 -1.135 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1=O ZINC001136001804 787328033 /nfs/dbraw/zinc/32/80/33/787328033.db2.gz VKHWJYBBUCSPIM-VXGBXAGGSA-N 1 0 336.396 -1.135 20 0 EAADRO O=C(NCC[NH2+]CCOCCO)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001842 787328152 /nfs/dbraw/zinc/32/81/52/787328152.db2.gz VTDXKUODPFWLJD-GFCCVEGCSA-N 1 0 327.385 -1.357 20 0 EAADRO O=C(NCC[NH2+]CCOCCO)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001843 787328053 /nfs/dbraw/zinc/32/80/53/787328053.db2.gz VTDXKUODPFWLJD-LBPRGKRZSA-N 1 0 327.385 -1.357 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001873 787327876 /nfs/dbraw/zinc/32/78/76/787327876.db2.gz WKDNQQFLZZEDPO-SECBINFHSA-N 1 0 339.356 -2.171 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001880 787328557 /nfs/dbraw/zinc/32/85/57/787328557.db2.gz WKDNQQFLZZEDPO-VIFPVBQESA-N 1 0 339.356 -2.171 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136002076 787328303 /nfs/dbraw/zinc/32/83/03/787328303.db2.gz ZHRJTDVKVUHOBA-LLVKDONJSA-N 1 0 345.425 -1.321 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136002078 787327851 /nfs/dbraw/zinc/32/78/51/787327851.db2.gz ZHRJTDVKVUHOBA-NSHDSACASA-N 1 0 345.425 -1.321 20 0 EAADRO O=C(CC[C@H]1CCCOC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001136008793 787328625 /nfs/dbraw/zinc/32/86/25/787328625.db2.gz WCGJHRAIVYNYBN-CYBMUJFWSA-N 1 0 340.424 -1.143 20 0 EAADRO O=C(CC[C@@H]1CCCOC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001136008794 787328521 /nfs/dbraw/zinc/32/85/21/787328521.db2.gz WCGJHRAIVYNYBN-ZDUSSCGKSA-N 1 0 340.424 -1.143 20 0 EAADRO C[C@H](Cc1cnn(C)c1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001136012013 787329875 /nfs/dbraw/zinc/32/98/75/787329875.db2.gz JASHTFLYHLLNKN-LLVKDONJSA-N 1 0 336.396 -1.144 20 0 EAADRO C[C@@H](Cc1cnn(C)c1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001136012014 787329988 /nfs/dbraw/zinc/32/99/88/787329988.db2.gz JASHTFLYHLLNKN-NSHDSACASA-N 1 0 336.396 -1.144 20 0 EAADRO C[C@H](Cc1cnn(C)c1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001136012318 787329652 /nfs/dbraw/zinc/32/96/52/787329652.db2.gz LLNSHGIJMNIOIT-LLVKDONJSA-N 1 0 331.442 -1.146 20 0 EAADRO C[C@@H](Cc1cnn(C)c1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001136012319 787330478 /nfs/dbraw/zinc/33/04/78/787330478.db2.gz LLNSHGIJMNIOIT-NSHDSACASA-N 1 0 331.442 -1.146 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136014058 787329284 /nfs/dbraw/zinc/32/92/84/787329284.db2.gz DRXMBBAGUREAJO-UHFFFAOYSA-N 1 0 341.290 -1.784 20 0 EAADRO O=C(CC(=O)NCC(F)(F)F)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001136014088 787329633 /nfs/dbraw/zinc/32/96/33/787329633.db2.gz GINUHGJPCKBOFR-SSDOTTSWSA-N 1 0 338.286 -1.434 20 0 EAADRO O=C(CC(=O)NCC(F)(F)F)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001136014089 787330360 /nfs/dbraw/zinc/33/03/60/787330360.db2.gz GINUHGJPCKBOFR-ZETCQYMHSA-N 1 0 338.286 -1.434 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136015555 787329399 /nfs/dbraw/zinc/32/93/99/787329399.db2.gz YVKKFAXWFIWLHF-UHFFFAOYSA-N 1 0 327.263 -2.044 20 0 EAADRO O=C(CC(=O)NCC(F)(F)F)NCC[NH2+]CCN1CCNC1=O ZINC001136017376 787330462 /nfs/dbraw/zinc/33/04/62/787330462.db2.gz HKMBLOIYIDHCBL-UHFFFAOYSA-N 1 0 339.318 -1.214 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136017474 787330150 /nfs/dbraw/zinc/33/01/50/787330150.db2.gz KWZOBZMJWFRZDH-UHFFFAOYSA-N 1 0 348.347 -1.690 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CC(=O)NCC(F)(F)F)C(=O)NC(N)=O ZINC001136018063 787330338 /nfs/dbraw/zinc/33/03/38/787330338.db2.gz WSVJTAUSKRQJQD-LURJTMIESA-N 1 0 341.290 -1.656 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CC(=O)NCC(F)(F)F)C(=O)NC(N)=O ZINC001136018064 787330169 /nfs/dbraw/zinc/33/01/69/787330169.db2.gz WSVJTAUSKRQJQD-ZCFIWIBFSA-N 1 0 341.290 -1.656 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136018924 787327650 /nfs/dbraw/zinc/32/76/50/787327650.db2.gz CNPRXEHHCQHWAR-UHFFFAOYSA-N 1 0 333.332 -1.195 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001136019091 787327735 /nfs/dbraw/zinc/32/77/35/787327735.db2.gz IWIGTKMPOUWBKI-CYBMUJFWSA-N 1 0 334.380 -1.403 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001136019095 787327994 /nfs/dbraw/zinc/32/79/94/787327994.db2.gz IWIGTKMPOUWBKI-ZDUSSCGKSA-N 1 0 334.380 -1.403 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136019099 787328314 /nfs/dbraw/zinc/32/83/14/787328314.db2.gz JADIIVXPMLYNLH-JTQLQIEISA-N 1 0 338.368 -1.817 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136019101 787328870 /nfs/dbraw/zinc/32/88/70/787328870.db2.gz JADIIVXPMLYNLH-SNVBAGLBSA-N 1 0 338.368 -1.817 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001136019127 787327274 /nfs/dbraw/zinc/32/72/74/787327274.db2.gz JVPYHSSSJQXQKS-UHFFFAOYSA-N 1 0 335.364 -1.512 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cccc(-n2cncn2)n1 ZINC001136019573 787327908 /nfs/dbraw/zinc/32/79/08/787327908.db2.gz QEQUDGMBAVTAMZ-JTQLQIEISA-N 1 0 343.347 -1.213 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cccc(-n2cncn2)n1 ZINC001136019575 787327299 /nfs/dbraw/zinc/32/72/99/787327299.db2.gz QEQUDGMBAVTAMZ-SNVBAGLBSA-N 1 0 343.347 -1.213 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136019632 787328161 /nfs/dbraw/zinc/32/81/61/787328161.db2.gz RRINYQBWBHZPIE-UHFFFAOYSA-N 1 0 330.410 -1.226 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(-n2cncn2)n1 ZINC001136019680 787327696 /nfs/dbraw/zinc/32/76/96/787327696.db2.gz UMEKXRAVWVCZSE-UHFFFAOYSA-N 1 0 332.324 -1.823 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136019892 787327926 /nfs/dbraw/zinc/32/79/26/787327926.db2.gz VIQJNLAKQDKBRN-UHFFFAOYSA-N 1 0 339.396 -1.508 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001136019909 787329350 /nfs/dbraw/zinc/32/93/50/787329350.db2.gz WBASRTOQZIEODA-UHFFFAOYSA-N 1 0 334.336 -1.034 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(-n2cncn2)n1 ZINC001136019978 787330577 /nfs/dbraw/zinc/33/05/77/787330577.db2.gz YELGKUKTTXLJQO-UHFFFAOYSA-N 1 0 346.351 -1.563 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cccc(-n2cncn2)n1)C(=O)NC(N)=O ZINC001136021745 787330601 /nfs/dbraw/zinc/33/06/01/787330601.db2.gz ADKIGQSEEDBFHV-SECBINFHSA-N 1 0 346.351 -1.435 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cccc(-n2cncn2)n1)C(=O)NC(N)=O ZINC001136021746 787330408 /nfs/dbraw/zinc/33/04/08/787330408.db2.gz ADKIGQSEEDBFHV-VIFPVBQESA-N 1 0 346.351 -1.435 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136021847 787329700 /nfs/dbraw/zinc/32/97/00/787329700.db2.gz FSRHYRDYAHFURM-UHFFFAOYSA-N 1 0 345.425 -1.722 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136021933 787330071 /nfs/dbraw/zinc/33/00/71/787330071.db2.gz JYDQHOJCKZJAHB-UHFFFAOYSA-N 1 0 339.396 -1.508 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001136021980 787329953 /nfs/dbraw/zinc/32/99/53/787329953.db2.gz MEBMTIGSMVSZKM-GFCCVEGCSA-N 1 0 342.421 -1.226 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001136021981 787330140 /nfs/dbraw/zinc/33/01/40/787330140.db2.gz MEBMTIGSMVSZKM-LBPRGKRZSA-N 1 0 342.421 -1.226 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136022000 787330052 /nfs/dbraw/zinc/33/00/52/787330052.db2.gz MVMNPOMJMPIJNW-UHFFFAOYSA-N 1 0 331.398 -2.112 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136022046 787329272 /nfs/dbraw/zinc/32/92/72/787329272.db2.gz OUBFWZSTPPMGCT-UHFFFAOYSA-N 1 0 338.368 -1.815 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001136022068 787330289 /nfs/dbraw/zinc/33/02/89/787330289.db2.gz PTVMNUAJSMXMGV-UHFFFAOYSA-N 1 0 336.352 -2.109 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136022262 787329058 /nfs/dbraw/zinc/32/90/58/787329058.db2.gz VAHNOZNNWKAUNW-UHFFFAOYSA-N 1 0 339.396 -1.508 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCn1cnccc1=O)S(C)(=O)=O ZINC001136022274 787329214 /nfs/dbraw/zinc/32/92/14/787329214.db2.gz VOVXAACCQGHSRZ-UHFFFAOYSA-N 1 0 345.425 -1.769 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001136022280 787329792 /nfs/dbraw/zinc/32/97/92/787329792.db2.gz WAZNEIOLVQRNGR-UHFFFAOYSA-N 1 0 337.380 -1.802 20 0 EAADRO O=C(CCn1cnccc1=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001136022285 787330128 /nfs/dbraw/zinc/33/01/28/787330128.db2.gz WHLZEENVJRGUAZ-UHFFFAOYSA-N 1 0 345.363 -1.232 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136022344 787329198 /nfs/dbraw/zinc/32/91/98/787329198.db2.gz ZKSKYUDIFPDWIA-CYBMUJFWSA-N 1 0 342.396 -1.637 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136022345 787329166 /nfs/dbraw/zinc/32/91/66/787329166.db2.gz ZKSKYUDIFPDWIA-ZDUSSCGKSA-N 1 0 342.396 -1.637 20 0 EAADRO COCc1nc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)co1 ZINC001136030314 787329816 /nfs/dbraw/zinc/32/98/16/787329816.db2.gz DJOAOZYXVBQVOX-UHFFFAOYSA-N 1 0 339.352 -1.901 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1coc(COC)n1 ZINC001136030568 787329452 /nfs/dbraw/zinc/32/94/52/787329452.db2.gz NIQSUGLRMWIATM-UHFFFAOYSA-N 1 0 327.341 -1.014 20 0 EAADRO COCc1nc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)co1 ZINC001136030667 787329112 /nfs/dbraw/zinc/32/91/12/787329112.db2.gz PVLRGUCHZIOMMK-UHFFFAOYSA-N 1 0 326.353 -1.001 20 0 EAADRO COCc1nc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)co1 ZINC001136033747 787330435 /nfs/dbraw/zinc/33/04/35/787330435.db2.gz SPLGZAQNPVNQHA-UHFFFAOYSA-N 1 0 325.325 -1.308 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1coc(CC2CC2)n1)N1CCNC(=O)C1 ZINC001136036429 787331691 /nfs/dbraw/zinc/33/16/91/787331691.db2.gz PPDREDDOLDBVES-UHFFFAOYSA-N 1 0 349.391 -1.095 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1coc(COC)n1 ZINC001136036456 787331483 /nfs/dbraw/zinc/33/14/83/787331483.db2.gz QVLHRVIHVPQHQJ-MRVPVSSYSA-N 1 0 327.341 -1.016 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1coc(COC)n1 ZINC001136036457 787331548 /nfs/dbraw/zinc/33/15/48/787331548.db2.gz QVLHRVIHVPQHQJ-QMMMGPOBSA-N 1 0 327.341 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn2nccc2nc1C ZINC001136041414 787331879 /nfs/dbraw/zinc/33/18/79/787331879.db2.gz AMVKUDLMJICIAL-UHFFFAOYSA-N 1 0 333.352 -1.187 20 0 EAADRO Cc1nc2ccnn2cc1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001136044413 787331168 /nfs/dbraw/zinc/33/11/68/787331168.db2.gz BVHRJHMIVFAKOW-UHFFFAOYSA-N 1 0 345.363 -1.091 20 0 EAADRO Cc1nc2ccnn2cc1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001136044454 787331317 /nfs/dbraw/zinc/33/13/17/787331317.db2.gz DIVOVMRFBFWOCT-SECBINFHSA-N 1 0 333.352 -1.059 20 0 EAADRO Cc1nc2ccnn2cc1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001136044455 787330783 /nfs/dbraw/zinc/33/07/83/787330783.db2.gz DIVOVMRFBFWOCT-VIFPVBQESA-N 1 0 333.352 -1.059 20 0 EAADRO Cc1nc2ccnn2cc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001136044811 787331114 /nfs/dbraw/zinc/33/11/14/787331114.db2.gz KMHNJDWGBABDPS-UHFFFAOYSA-N 1 0 340.409 -1.094 20 0 EAADRO Cc1nn(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C)c(=O)n1C ZINC001136053275 787330900 /nfs/dbraw/zinc/33/09/00/787330900.db2.gz AMNNIVCDBWRCAN-GHMZBOCLSA-N 1 0 340.428 -1.149 20 0 EAADRO Cc1nn(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C)c(=O)n1C ZINC001136053276 787332076 /nfs/dbraw/zinc/33/20/76/787332076.db2.gz AMNNIVCDBWRCAN-MNOVXSKESA-N 1 0 340.428 -1.149 20 0 EAADRO Cc1nn(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C)c(=O)n1C ZINC001136053277 787332011 /nfs/dbraw/zinc/33/20/11/787332011.db2.gz AMNNIVCDBWRCAN-QWRGUYRKSA-N 1 0 340.428 -1.149 20 0 EAADRO Cc1nn(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C)c(=O)n1C ZINC001136053278 787331543 /nfs/dbraw/zinc/33/15/43/787331543.db2.gz AMNNIVCDBWRCAN-WDEREUQCSA-N 1 0 340.428 -1.149 20 0 EAADRO Cc1nn(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO)c(=O)n1C ZINC001136055690 787331648 /nfs/dbraw/zinc/33/16/48/787331648.db2.gz PLLQLJPUCMCPLA-NEPJUHHUSA-N 1 0 343.428 -1.228 20 0 EAADRO Cc1nn(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO)c(=O)n1C ZINC001136055694 787331013 /nfs/dbraw/zinc/33/10/13/787331013.db2.gz PLLQLJPUCMCPLA-NWDGAFQWSA-N 1 0 343.428 -1.228 20 0 EAADRO Cc1nn(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO)c(=O)n1C ZINC001136055696 787331215 /nfs/dbraw/zinc/33/12/15/787331215.db2.gz PLLQLJPUCMCPLA-RYUDHWBXSA-N 1 0 343.428 -1.228 20 0 EAADRO Cc1nn(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO)c(=O)n1C ZINC001136055697 787332089 /nfs/dbraw/zinc/33/20/89/787332089.db2.gz PLLQLJPUCMCPLA-VXGBXAGGSA-N 1 0 343.428 -1.228 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136055723 787330818 /nfs/dbraw/zinc/33/08/18/787330818.db2.gz PXXRYGYUQBZFJH-NXEZZACHSA-N 1 0 326.401 -1.491 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136055730 787331209 /nfs/dbraw/zinc/33/12/09/787331209.db2.gz PXXRYGYUQBZFJH-UWVGGRQHSA-N 1 0 326.401 -1.491 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136055732 787331284 /nfs/dbraw/zinc/33/12/84/787331284.db2.gz PXXRYGYUQBZFJH-VHSXEESVSA-N 1 0 326.401 -1.491 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136055734 787331759 /nfs/dbraw/zinc/33/17/59/787331759.db2.gz PXXRYGYUQBZFJH-ZJUUUORDSA-N 1 0 326.401 -1.491 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001136055775 787331901 /nfs/dbraw/zinc/33/19/01/787331901.db2.gz QBNLBGVBVVNFER-NXEZZACHSA-N 1 0 347.445 -1.526 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001136055778 787331254 /nfs/dbraw/zinc/33/12/54/787331254.db2.gz QBNLBGVBVVNFER-UWVGGRQHSA-N 1 0 347.445 -1.526 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001136055781 787331773 /nfs/dbraw/zinc/33/17/73/787331773.db2.gz QBNLBGVBVVNFER-VHSXEESVSA-N 1 0 347.445 -1.526 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1nnnn1C ZINC001136055782 787331959 /nfs/dbraw/zinc/33/19/59/787331959.db2.gz QBNLBGVBVVNFER-ZJUUUORDSA-N 1 0 347.445 -1.526 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CS(=O)(=O)N(C)C)[NH2+]CC(=O)N1CCC1 ZINC001136055843 787331768 /nfs/dbraw/zinc/33/17/68/787331768.db2.gz QEERSLMOSZFZFH-NEPJUHHUSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CS(=O)(=O)N(C)C ZINC001136055844 787331517 /nfs/dbraw/zinc/33/15/17/787331517.db2.gz QEERSLMOSZFZFH-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CS(=O)(=O)N(C)C ZINC001136055845 787332001 /nfs/dbraw/zinc/33/20/01/787332001.db2.gz QEERSLMOSZFZFH-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CS(=O)(=O)N(C)C ZINC001136055846 787331625 /nfs/dbraw/zinc/33/16/25/787331625.db2.gz QEERSLMOSZFZFH-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136057314 787330768 /nfs/dbraw/zinc/33/07/68/787330768.db2.gz XKFKHXQTGANBGC-GHMZBOCLSA-N 1 0 340.428 -1.101 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136057328 787331032 /nfs/dbraw/zinc/33/10/32/787331032.db2.gz XKFKHXQTGANBGC-MNOVXSKESA-N 1 0 340.428 -1.101 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136057329 787331717 /nfs/dbraw/zinc/33/17/17/787331717.db2.gz XKFKHXQTGANBGC-QWRGUYRKSA-N 1 0 340.428 -1.101 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136057334 787331614 /nfs/dbraw/zinc/33/16/14/787331614.db2.gz XKFKHXQTGANBGC-WDEREUQCSA-N 1 0 340.428 -1.101 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063278 787331750 /nfs/dbraw/zinc/33/17/50/787331750.db2.gz OAJDFDUFBOHFDQ-GHMZBOCLSA-N 1 0 336.458 -1.161 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CS(=O)(=O)N(C)C)[NH2+]CC(=O)N(C)C ZINC001136063279 787330852 /nfs/dbraw/zinc/33/08/52/787330852.db2.gz OAJDFDUFBOHFDQ-MNOVXSKESA-N 1 0 336.458 -1.161 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063280 787330722 /nfs/dbraw/zinc/33/07/22/787330722.db2.gz OAJDFDUFBOHFDQ-QWRGUYRKSA-N 1 0 336.458 -1.161 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063281 787331940 /nfs/dbraw/zinc/33/19/40/787331940.db2.gz OAJDFDUFBOHFDQ-WDEREUQCSA-N 1 0 336.458 -1.161 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CS(=O)(=O)N(C)C)[NH2+]CCOCCO ZINC001136063586 787330914 /nfs/dbraw/zinc/33/09/14/787330914.db2.gz UCAHWNMDBWHCON-NEPJUHHUSA-N 1 0 339.458 -1.240 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CS(=O)(=O)N(C)C ZINC001136063587 787331424 /nfs/dbraw/zinc/33/14/24/787331424.db2.gz UCAHWNMDBWHCON-NWDGAFQWSA-N 1 0 339.458 -1.240 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CS(=O)(=O)N(C)C ZINC001136063588 787331067 /nfs/dbraw/zinc/33/10/67/787331067.db2.gz UCAHWNMDBWHCON-RYUDHWBXSA-N 1 0 339.458 -1.240 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CS(=O)(=O)N(C)C ZINC001136063589 787331531 /nfs/dbraw/zinc/33/15/31/787331531.db2.gz UCAHWNMDBWHCON-VXGBXAGGSA-N 1 0 339.458 -1.240 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063786 787333189 /nfs/dbraw/zinc/33/31/89/787333189.db2.gz XJELQBZVWGNHHE-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063787 787332660 /nfs/dbraw/zinc/33/26/60/787332660.db2.gz XJELQBZVWGNHHE-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063788 787332307 /nfs/dbraw/zinc/33/23/07/787332307.db2.gz XJELQBZVWGNHHE-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063789 787333426 /nfs/dbraw/zinc/33/34/26/787333426.db2.gz XJELQBZVWGNHHE-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO COCCOc1cncc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001136073591 787330967 /nfs/dbraw/zinc/33/09/67/787330967.db2.gz LOVRFEYATKDCFC-UHFFFAOYSA-N 1 0 339.352 -1.379 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCC(=O)N1CCOCC1)[NH2+]CC(N)=O ZINC001136083241 787333721 /nfs/dbraw/zinc/33/37/21/787333721.db2.gz UHXQZZQTEZVGBO-NEPJUHHUSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCC(=O)N1CCOCC1 ZINC001136083242 787333404 /nfs/dbraw/zinc/33/34/04/787333404.db2.gz UHXQZZQTEZVGBO-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCC(=O)N1CCOCC1 ZINC001136083243 787332476 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O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)C1(N2CCOCC2)CCC1 ZINC001136105922 787333751 /nfs/dbraw/zinc/33/37/51/787333751.db2.gz PDQSGCDFIIVODZ-LBPRGKRZSA-N 1 0 338.408 -1.248 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)C1(N2CCOCC2)CCC1 ZINC001136105997 787333490 /nfs/dbraw/zinc/33/34/90/787333490.db2.gz SFVFVLZXSDRCDN-UHFFFAOYSA-N 1 0 339.440 -1.028 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)C1(N2CCOCC2)CCC1 ZINC001136106044 787332979 /nfs/dbraw/zinc/33/29/79/787332979.db2.gz UOYKQJCNVRKOHT-UHFFFAOYSA-N 1 0 333.454 -1.008 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)C1(N2CCOCC2)CCC1 ZINC001136106090 787333043 /nfs/dbraw/zinc/33/30/43/787333043.db2.gz WREJGIQVYGDYKI-UHFFFAOYSA-N 1 0 327.385 -1.858 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC001136106948 787332815 /nfs/dbraw/zinc/33/28/15/787332815.db2.gz AOWZNQGGBOQXEV-GFCCVEGCSA-N 1 0 344.437 -1.083 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC001136106949 787332907 /nfs/dbraw/zinc/33/29/07/787332907.db2.gz 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EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107742 787332229 /nfs/dbraw/zinc/33/22/29/787332229.db2.gz SPLDKURSJXFZBL-VIFPVBQESA-N 1 0 348.425 -1.496 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107746 787332807 /nfs/dbraw/zinc/33/28/07/787332807.db2.gz SYDSFCTTWJMLRP-UHFFFAOYSA-N 1 0 349.453 -1.188 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107793 787332639 /nfs/dbraw/zinc/33/26/39/787332639.db2.gz VESONLQRBYCUHQ-UHFFFAOYSA-N 1 0 341.455 -1.791 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001136107832 787332771 /nfs/dbraw/zinc/33/27/71/787332771.db2.gz WUMZHYUTFGAOIQ-SECBINFHSA-N 1 0 331.394 -1.535 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001136107833 787333704 /nfs/dbraw/zinc/33/37/04/787333704.db2.gz WUMZHYUTFGAOIQ-VIFPVBQESA-N 1 0 331.394 -1.535 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O)[NH2+]CC(N)=O ZINC001136111784 787332274 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1 0 341.412 -1.064 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001136112358 787332582 /nfs/dbraw/zinc/33/25/82/787332582.db2.gz QXZJJGFYRWBTFI-VHSXEESVSA-N 1 0 341.412 -1.064 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001136112359 787332405 /nfs/dbraw/zinc/33/24/05/787332405.db2.gz QXZJJGFYRWBTFI-ZJUUUORDSA-N 1 0 341.412 -1.064 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136113006 787333027 /nfs/dbraw/zinc/33/30/27/787333027.db2.gz AYVMZBRAXRYVQJ-UHFFFAOYSA-N 1 0 326.440 -1.296 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136113058 787333825 /nfs/dbraw/zinc/33/38/25/787333825.db2.gz BZJVXQDGHKOJSQ-UHFFFAOYSA-N 1 0 348.425 -1.495 20 0 EAADRO CS(=O)(=O)C1(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CCC1 ZINC001136113194 787332685 /nfs/dbraw/zinc/33/26/85/787332685.db2.gz GARUVIZRDVYZDY-UHFFFAOYSA-N 1 0 347.437 -1.482 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136113934 787333674 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C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1ccc(=O)n(C)n1 ZINC001136120194 787333606 /nfs/dbraw/zinc/33/36/06/787333606.db2.gz ZGTXDAFJHFXVMQ-VHSXEESVSA-N 1 0 349.395 -1.111 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001136120195 787333134 /nfs/dbraw/zinc/33/31/34/787333134.db2.gz ZGTXDAFJHFXVMQ-ZJUUUORDSA-N 1 0 349.395 -1.111 20 0 EAADRO COC[C@H](C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001136122584 787332174 /nfs/dbraw/zinc/33/21/74/787332174.db2.gz BYYIKUGSGUOZDW-NEPJUHHUSA-N 1 0 329.397 -1.125 20 0 EAADRO COC[C@@H](C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001136122585 787332896 /nfs/dbraw/zinc/33/28/96/787332896.db2.gz BYYIKUGSGUOZDW-NWDGAFQWSA-N 1 0 329.397 -1.125 20 0 EAADRO COC[C@@H](C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001136122586 787332595 /nfs/dbraw/zinc/33/25/95/787332595.db2.gz BYYIKUGSGUOZDW-RYUDHWBXSA-N 1 0 329.397 -1.125 20 0 EAADRO COC[C@H](C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001136122587 787332316 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COC[C@H](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001136124913 787332942 /nfs/dbraw/zinc/33/29/42/787332942.db2.gz WYODJMBSUZNBRO-VXGBXAGGSA-N 1 0 330.429 -1.042 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136126700 787333108 /nfs/dbraw/zinc/33/31/08/787333108.db2.gz CXVLRFMKRXJNGT-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136126701 787332630 /nfs/dbraw/zinc/33/26/30/787332630.db2.gz CXVLRFMKRXJNGT-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136126702 787333268 /nfs/dbraw/zinc/33/32/68/787333268.db2.gz CXVLRFMKRXJNGT-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136126703 787332187 /nfs/dbraw/zinc/33/21/87/787332187.db2.gz CXVLRFMKRXJNGT-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)CN1C(=O)CNC1=O ZINC001136126732 787333599 /nfs/dbraw/zinc/33/35/99/787333599.db2.gz DNJKNICZPFPYMK-GHMZBOCLSA-N 1 0 330.385 -1.580 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CCOCCO ZINC001136126733 787332466 /nfs/dbraw/zinc/33/24/66/787332466.db2.gz DNJKNICZPFPYMK-MNOVXSKESA-N 1 0 330.385 -1.580 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1C(=O)CNC1=O ZINC001136126734 787333819 /nfs/dbraw/zinc/33/38/19/787333819.db2.gz DNJKNICZPFPYMK-QWRGUYRKSA-N 1 0 330.385 -1.580 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)CN1C(=O)CNC1=O ZINC001136126735 787332487 /nfs/dbraw/zinc/33/24/87/787332487.db2.gz DNJKNICZPFPYMK-WDEREUQCSA-N 1 0 330.385 -1.580 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136126836 787332263 /nfs/dbraw/zinc/33/22/63/787332263.db2.gz GJYAPMRCQAMTIF-NXEZZACHSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136126837 787332830 /nfs/dbraw/zinc/33/28/30/787332830.db2.gz GJYAPMRCQAMTIF-UWVGGRQHSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136126838 787332298 /nfs/dbraw/zinc/33/22/98/787332298.db2.gz GJYAPMRCQAMTIF-VHSXEESVSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136126839 787333098 /nfs/dbraw/zinc/33/30/98/787333098.db2.gz GJYAPMRCQAMTIF-ZJUUUORDSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1C(=O)CNC1=O ZINC001136127048 787332499 /nfs/dbraw/zinc/33/24/99/787332499.db2.gz KIPCUTITGFVYCX-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1C(=O)CNC1=O ZINC001136127049 787332434 /nfs/dbraw/zinc/33/24/34/787332434.db2.gz KIPCUTITGFVYCX-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)CN1C(=O)CNC1=O ZINC001136127050 787334641 /nfs/dbraw/zinc/33/46/41/787334641.db2.gz KIPCUTITGFVYCX-VHSXEESVSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnn(C)n1 ZINC001136127051 787334253 /nfs/dbraw/zinc/33/42/53/787334253.db2.gz KIPCUTITGFVYCX-ZJUUUORDSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001136127056 787335136 /nfs/dbraw/zinc/33/51/36/787335136.db2.gz KLRUDXJVRHOASU-HTQZYQBOSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001136127057 787334533 /nfs/dbraw/zinc/33/45/33/787334533.db2.gz KLRUDXJVRHOASU-JGVFFNPUSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NC(N)=O ZINC001136127058 787334275 /nfs/dbraw/zinc/33/42/75/787334275.db2.gz KLRUDXJVRHOASU-SFYZADRCSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001136127059 787334603 /nfs/dbraw/zinc/33/46/03/787334603.db2.gz KLRUDXJVRHOASU-YUMQZZPRSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)CNC1=O ZINC001136127084 787335121 /nfs/dbraw/zinc/33/51/21/787335121.db2.gz KTWQQOZFOJFGJJ-NXEZZACHSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)CNC1=O ZINC001136127085 787334632 /nfs/dbraw/zinc/33/46/32/787334632.db2.gz KTWQQOZFOJFGJJ-UWVGGRQHSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)CNC1=O ZINC001136127086 787335018 /nfs/dbraw/zinc/33/50/18/787335018.db2.gz KTWQQOZFOJFGJJ-VHSXEESVSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CCS(C)(=O)=O ZINC001136127087 787334525 /nfs/dbraw/zinc/33/45/25/787334525.db2.gz KTWQQOZFOJFGJJ-ZJUUUORDSA-N 1 0 348.425 -1.544 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127188 787335107 /nfs/dbraw/zinc/33/51/07/787335107.db2.gz LTYJDCAREFCLGX-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127189 787334019 /nfs/dbraw/zinc/33/40/19/787334019.db2.gz LTYJDCAREFCLGX-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127190 787335005 /nfs/dbraw/zinc/33/50/05/787335005.db2.gz LTYJDCAREFCLGX-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127191 787335162 /nfs/dbraw/zinc/33/51/62/787335162.db2.gz LTYJDCAREFCLGX-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1C(=O)CNC1=O ZINC001136127196 787335180 /nfs/dbraw/zinc/33/51/80/787335180.db2.gz LVYWFYYBLGLPAU-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1C(=O)CNC1=O ZINC001136127197 787334685 /nfs/dbraw/zinc/33/46/85/787334685.db2.gz LVYWFYYBLGLPAU-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN1C(=O)CNC1=O ZINC001136127198 787335226 /nfs/dbraw/zinc/33/52/26/787335226.db2.gz LVYWFYYBLGLPAU-VHSXEESVSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnnn1C ZINC001136127199 787334370 /nfs/dbraw/zinc/33/43/70/787334370.db2.gz LVYWFYYBLGLPAU-ZJUUUORDSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001136127328 787334832 /nfs/dbraw/zinc/33/48/32/787334832.db2.gz NSZFZYBHROMVRD-NXEZZACHSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001136127329 787334739 /nfs/dbraw/zinc/33/47/39/787334739.db2.gz NSZFZYBHROMVRD-UWVGGRQHSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001136127330 787334921 /nfs/dbraw/zinc/33/49/21/787334921.db2.gz NSZFZYBHROMVRD-VHSXEESVSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)N(C)C ZINC001136127331 787334575 /nfs/dbraw/zinc/33/45/75/787334575.db2.gz NSZFZYBHROMVRD-ZJUUUORDSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127332 787335389 /nfs/dbraw/zinc/33/53/89/787335389.db2.gz NUMBBIVEQNFQPE-GHMZBOCLSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O)[NH2+]CC(=O)N(C)C ZINC001136127333 787334458 /nfs/dbraw/zinc/33/44/58/787334458.db2.gz NUMBBIVEQNFQPE-MNOVXSKESA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127334 787335174 /nfs/dbraw/zinc/33/51/74/787335174.db2.gz NUMBBIVEQNFQPE-QWRGUYRKSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127335 787335086 /nfs/dbraw/zinc/33/50/86/787335086.db2.gz NUMBBIVEQNFQPE-WDEREUQCSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)CN1C(=O)CNC1=O ZINC001136127456 787334842 /nfs/dbraw/zinc/33/48/42/787334842.db2.gz PZAQJDXUUDLCML-GHMZBOCLSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CCn1cncn1 ZINC001136127457 787334077 /nfs/dbraw/zinc/33/40/77/787334077.db2.gz PZAQJDXUUDLCML-MNOVXSKESA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)CN1C(=O)CNC1=O ZINC001136127458 787334243 /nfs/dbraw/zinc/33/42/43/787334243.db2.gz PZAQJDXUUDLCML-QWRGUYRKSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)CN1C(=O)CNC1=O ZINC001136127459 787335037 /nfs/dbraw/zinc/33/50/37/787335037.db2.gz PZAQJDXUUDLCML-WDEREUQCSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1C(=O)CNC1=O ZINC001136127640 787334210 /nfs/dbraw/zinc/33/42/10/787334210.db2.gz SONPRGCUETUSLY-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1C(=O)CNC1=O ZINC001136127641 787334558 /nfs/dbraw/zinc/33/45/58/787334558.db2.gz SONPRGCUETUSLY-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)CN1C(=O)CNC1=O ZINC001136127642 787334780 /nfs/dbraw/zinc/33/47/80/787334780.db2.gz SONPRGCUETUSLY-VHSXEESVSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001136127643 787334156 /nfs/dbraw/zinc/33/41/56/787334156.db2.gz SONPRGCUETUSLY-ZJUUUORDSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1C(=O)CNC1=O ZINC001136127668 787335150 /nfs/dbraw/zinc/33/51/50/787335150.db2.gz SWLKAKYOBZDOKV-NXEZZACHSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1C(=O)CNC1=O ZINC001136127669 787335096 /nfs/dbraw/zinc/33/50/96/787335096.db2.gz SWLKAKYOBZDOKV-UWVGGRQHSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN1C(=O)CNC1=O ZINC001136127670 787335288 /nfs/dbraw/zinc/33/52/88/787335288.db2.gz SWLKAKYOBZDOKV-VHSXEESVSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NC1CC1 ZINC001136127671 787334183 /nfs/dbraw/zinc/33/41/83/787334183.db2.gz SWLKAKYOBZDOKV-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127732 787335402 /nfs/dbraw/zinc/33/54/02/787335402.db2.gz VDLJLPQQQUVWMK-NXEZZACHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127733 787334272 /nfs/dbraw/zinc/33/42/72/787334272.db2.gz VDLJLPQQQUVWMK-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127734 787334471 /nfs/dbraw/zinc/33/44/71/787334471.db2.gz VDLJLPQQQUVWMK-VHSXEESVSA-N 1 0 327.385 -1.453 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127735 787333997 /nfs/dbraw/zinc/33/39/97/787333997.db2.gz VDLJLPQQQUVWMK-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127848 787334975 /nfs/dbraw/zinc/33/49/75/787334975.db2.gz WZNIRTPMUBJFNH-GHMZBOCLSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127849 787334961 /nfs/dbraw/zinc/33/49/61/787334961.db2.gz WZNIRTPMUBJFNH-MNOVXSKESA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O 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EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CNC(=O)C1 ZINC001143291811 793055219 /nfs/dbraw/zinc/05/52/19/793055219.db2.gz VXSFOJMKMMZCAN-QMMMGPOBSA-N 1 0 342.377 -1.255 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C2CC[NH+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001143317426 793056113 /nfs/dbraw/zinc/05/61/13/793056113.db2.gz OSDWWFVGPFXRFP-UHNMOKONSA-N 1 0 332.397 -1.712 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)CC2CC[NH+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001143366692 787440312 /nfs/dbraw/zinc/44/03/12/787440312.db2.gz DUBAXCOCVLPSPG-AHMITGRASA-N 1 0 346.424 -1.321 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001143680080 787440526 /nfs/dbraw/zinc/44/05/26/787440526.db2.gz FXYUPDFOFSEXPM-CWVYHPPDSA-N 1 0 346.435 -1.859 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001143680081 787440479 /nfs/dbraw/zinc/44/04/79/787440479.db2.gz FXYUPDFOFSEXPM-IBEHDNSVSA-N 1 0 346.435 -1.859 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001143680082 787441195 /nfs/dbraw/zinc/44/11/95/787441195.db2.gz FXYUPDFOFSEXPM-LJIZCISZSA-N 1 0 346.435 -1.859 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001143680083 787441153 /nfs/dbraw/zinc/44/11/53/787441153.db2.gz FXYUPDFOFSEXPM-LYYZXLFJSA-N 1 0 346.435 -1.859 20 0 EAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001143986807 787445977 /nfs/dbraw/zinc/44/59/77/787445977.db2.gz BCWFGOFGSHZWCC-NSHDSACASA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)/C=C/C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001144084139 787447637 /nfs/dbraw/zinc/44/76/37/787447637.db2.gz YXCUKTNZOZVZAI-ONEGZZNKSA-N 1 0 342.377 -1.089 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001144130054 787449411 /nfs/dbraw/zinc/44/94/11/787449411.db2.gz INEPCPDABXQSGZ-LLVKDONJSA-N 1 0 341.412 -1.276 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001144130055 787448325 /nfs/dbraw/zinc/44/83/25/787448325.db2.gz INEPCPDABXQSGZ-NSHDSACASA-N 1 0 341.412 -1.276 20 0 EAADRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]21 ZINC001144131045 787449490 /nfs/dbraw/zinc/44/94/90/787449490.db2.gz SDGIOIXMLLFCPQ-SDDRHHMPSA-N 1 0 340.428 -1.054 20 0 EAADRO CN(CC(=O)N1CCn2c(CN3CCOCC3)nnc2C1)C(N)=[NH2+] ZINC001144131407 787449216 /nfs/dbraw/zinc/44/92/16/787449216.db2.gz WSXMTZSYAHBUJV-UHFFFAOYSA-N 1 0 336.400 -1.722 20 0 EAADRO CN(CC(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1)C(N)=[NH2+] ZINC001144132013 787448550 /nfs/dbraw/zinc/44/85/50/787448550.db2.gz ARXDOSZMYSYQHP-UHFFFAOYSA-N 1 0 335.368 -1.450 20 0 EAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001144132034 787448592 /nfs/dbraw/zinc/44/85/92/787448592.db2.gz BQYYCMBLXIETDY-UHFFFAOYSA-N 1 0 336.400 -1.186 20 0 EAADRO CN(CC(=O)N1C[C@@H](NC(=O)c2cccn2C)[C@H]2COC[C@H]21)C(N)=[NH2+] ZINC001144132049 787449076 /nfs/dbraw/zinc/44/90/76/787449076.db2.gz CCIOCUDEALTGAL-NQBHXWOUSA-N 1 0 348.407 -1.194 20 0 EAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001144132283 787448900 /nfs/dbraw/zinc/44/89/00/787448900.db2.gz LRBIEBPXKVWRRR-MRVPVSSYSA-N 1 0 332.382 -2.000 20 0 EAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001144132284 787449371 /nfs/dbraw/zinc/44/93/71/787449371.db2.gz LRBIEBPXKVWRRR-QMMMGPOBSA-N 1 0 332.382 -2.000 20 0 EAADRO COCCN1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])CC[C@H]2C1=O ZINC001144132431 787448977 /nfs/dbraw/zinc/44/89/77/787448977.db2.gz QTHVZKHKYLVBDC-NEPJUHHUSA-N 1 0 341.412 -1.466 20 0 EAADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2C1 ZINC001144132587 787449230 /nfs/dbraw/zinc/44/92/30/787449230.db2.gz XOFZKZMVRCZXPS-MNOVXSKESA-N 1 0 346.457 -1.602 20 0 EAADRO CN(CC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)C(N)=[NH2+] ZINC001144136896 787448719 /nfs/dbraw/zinc/44/87/19/787448719.db2.gz MIBXWCKKULZISD-JTQLQIEISA-N 1 0 340.409 -1.214 20 0 EAADRO CN(CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1)C(N)=[NH2+] ZINC001144136901 787448818 /nfs/dbraw/zinc/44/88/18/787448818.db2.gz MIBXWCKKULZISD-SNVBAGLBSA-N 1 0 340.409 -1.214 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]2C(=O)N(C)C ZINC001144137469 787448512 /nfs/dbraw/zinc/44/85/12/787448512.db2.gz TXQISBVDMLYNDA-LLVKDONJSA-N 1 0 338.412 -1.793 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2C(=O)N(C)C ZINC001144137470 787448682 /nfs/dbraw/zinc/44/86/82/787448682.db2.gz TXQISBVDMLYNDA-NSHDSACASA-N 1 0 338.412 -1.793 20 0 EAADRO CN(CC(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C(N)=[NH2+] ZINC001144137492 787448304 /nfs/dbraw/zinc/44/83/04/787448304.db2.gz UNCOKERCOTVROQ-UHFFFAOYSA-N 1 0 326.401 -1.156 20 0 EAADRO CN(CC(=O)NCC(=O)NCC(=O)OCc1ccccc1)C(N)=[NH2+] ZINC001144141981 787449518 /nfs/dbraw/zinc/44/95/18/787449518.db2.gz GHMZGXFIMAPSKD-UHFFFAOYSA-N 1 0 335.364 -1.213 20 0 EAADRO CN(CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(N)=[NH2+] ZINC001144149167 787448854 /nfs/dbraw/zinc/44/88/54/787448854.db2.gz HOYXBGLYPZNCLT-NSHDSACASA-N 1 0 334.380 -1.859 20 0 EAADRO CCOC(=O)C1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[NH+](C)CC1 ZINC001144336568 787452624 /nfs/dbraw/zinc/45/26/24/787452624.db2.gz XCLVNBNZBLPEJR-VIFPVBQESA-N 1 0 326.353 -1.272 20 0 EAADRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001144339038 787452497 /nfs/dbraw/zinc/45/24/97/787452497.db2.gz SEMSHLDLRFIVBS-DCAQKATOSA-N 1 0 339.396 -1.310 20 0 EAADRO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001144339658 787452637 /nfs/dbraw/zinc/45/26/37/787452637.db2.gz QQXHCGDZJUQELQ-VIFPVBQESA-N 1 0 326.353 -1.142 20 0 EAADRO CSCC[C@H](NC(C)=O)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001144865463 787475081 /nfs/dbraw/zinc/47/50/81/787475081.db2.gz ABRVSMAELXWBPM-JTQLQIEISA-N 1 0 336.418 -1.091 20 0 EAADRO O=C(C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895522 787478128 /nfs/dbraw/zinc/47/81/28/787478128.db2.gz MYIBNOKGNYRBPQ-FRRDWIJNSA-N 1 0 342.392 -2.425 20 0 EAADRO O=C(C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895523 787478041 /nfs/dbraw/zinc/47/80/41/787478041.db2.gz MYIBNOKGNYRBPQ-JHJVBQTASA-N 1 0 342.392 -2.425 20 0 EAADRO O=C(C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895524 787478071 /nfs/dbraw/zinc/47/80/71/787478071.db2.gz MYIBNOKGNYRBPQ-RWMBFGLXSA-N 1 0 342.392 -2.425 20 0 EAADRO O=C(C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895525 787478272 /nfs/dbraw/zinc/47/82/72/787478272.db2.gz MYIBNOKGNYRBPQ-YNEHKIRRSA-N 1 0 342.392 -2.425 20 0 EAADRO CC[NH+](CC)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144899076 787479770 /nfs/dbraw/zinc/47/97/70/787479770.db2.gz FNCHYDLEYHHUNM-FRRDWIJNSA-N 1 0 332.397 -2.037 20 0 EAADRO CC[NH+](CC)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144899077 787480147 /nfs/dbraw/zinc/48/01/47/787480147.db2.gz FNCHYDLEYHHUNM-JHJVBQTASA-N 1 0 332.397 -2.037 20 0 EAADRO CC[NH+](CC)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144899078 787480084 /nfs/dbraw/zinc/48/00/84/787480084.db2.gz FNCHYDLEYHHUNM-RWMBFGLXSA-N 1 0 332.397 -2.037 20 0 EAADRO CC[NH+](CC)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144899079 787479862 /nfs/dbraw/zinc/47/98/62/787479862.db2.gz FNCHYDLEYHHUNM-YNEHKIRRSA-N 1 0 332.397 -2.037 20 0 EAADRO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899288 787480311 /nfs/dbraw/zinc/48/03/11/787480311.db2.gz IPFBZNVZFYDYEB-AAVRWANBSA-N 1 0 344.408 -1.893 20 0 EAADRO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899289 787479798 /nfs/dbraw/zinc/47/97/98/787479798.db2.gz IPFBZNVZFYDYEB-XJFOESAGSA-N 1 0 344.408 -1.893 20 0 EAADRO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899290 787479881 /nfs/dbraw/zinc/47/98/81/787479881.db2.gz IPFBZNVZFYDYEB-YIYPIFLZSA-N 1 0 344.408 -1.893 20 0 EAADRO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899291 787479680 /nfs/dbraw/zinc/47/96/80/787479680.db2.gz IPFBZNVZFYDYEB-ZOBORPQBSA-N 1 0 344.408 -1.893 20 0 EAADRO COCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1CC[NH+](C)CC1 ZINC001144899616 787481471 /nfs/dbraw/zinc/48/14/71/787481471.db2.gz MAGDLGSQEPIRET-FRRDWIJNSA-N 1 0 348.396 -2.800 20 0 EAADRO COCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1CC[NH+](C)CC1 ZINC001144899617 787481221 /nfs/dbraw/zinc/48/12/21/787481221.db2.gz MAGDLGSQEPIRET-JHJVBQTASA-N 1 0 348.396 -2.800 20 0 EAADRO COCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1CC[NH+](C)CC1 ZINC001144899618 787480970 /nfs/dbraw/zinc/48/09/70/787480970.db2.gz MAGDLGSQEPIRET-RWMBFGLXSA-N 1 0 348.396 -2.800 20 0 EAADRO COCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1CC[NH+](C)CC1 ZINC001144899619 787481072 /nfs/dbraw/zinc/48/10/72/787481072.db2.gz MAGDLGSQEPIRET-YNEHKIRRSA-N 1 0 348.396 -2.800 20 0 EAADRO O=C(C(=O)N(c1ncccn1)C1C[NH2+]C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901014 787482077 /nfs/dbraw/zinc/48/20/77/787482077.db2.gz XPHGDYATUQYEFM-IVZWLZJFSA-N 1 0 326.309 -3.575 20 0 EAADRO O=C(C(=O)N(c1ncccn1)C1C[NH2+]C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901015 787482371 /nfs/dbraw/zinc/48/23/71/787482371.db2.gz XPHGDYATUQYEFM-KXUCPTDWSA-N 1 0 326.309 -3.575 20 0 EAADRO O=C(C(=O)N(c1ncccn1)C1C[NH2+]C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901016 787481932 /nfs/dbraw/zinc/48/19/32/787481932.db2.gz XPHGDYATUQYEFM-LPEHRKFASA-N 1 0 326.309 -3.575 20 0 EAADRO O=C(C(=O)N(c1ncccn1)C1C[NH2+]C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901017 787482259 /nfs/dbraw/zinc/48/22/59/787482259.db2.gz XPHGDYATUQYEFM-OPRDCNLKSA-N 1 0 326.309 -3.575 20 0 EAADRO CCC[N@H+]1C[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]2C1 ZINC001144901174 787482800 /nfs/dbraw/zinc/48/28/00/787482800.db2.gz ZRNYXCYIWHOWMJ-NZEXEKPDSA-N 1 0 330.381 -2.569 20 0 EAADRO CCC[N@H+]1C[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]2C1 ZINC001144901175 787483543 /nfs/dbraw/zinc/48/35/43/787483543.db2.gz ZRNYXCYIWHOWMJ-OBPIAQAESA-N 1 0 330.381 -2.569 20 0 EAADRO CCC[NH+]1C[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]2C1 ZINC001144901176 787483100 /nfs/dbraw/zinc/48/31/00/787483100.db2.gz ZRNYXCYIWHOWMJ-SYLRKERUSA-N 1 0 330.381 -2.569 20 0 EAADRO CCC[NH+]1C[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]2C1 ZINC001144901177 787483129 /nfs/dbraw/zinc/48/31/29/787483129.db2.gz ZRNYXCYIWHOWMJ-UJPOAAIJSA-N 1 0 330.381 -2.569 20 0 EAADRO C[NH+]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)CC1 ZINC001144901186 787483333 /nfs/dbraw/zinc/48/33/33/787483333.db2.gz ZSUWZKAPMKZKCQ-FRRDWIJNSA-N 1 0 344.408 -2.035 20 0 EAADRO C[NH+]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)CC1 ZINC001144901187 787482757 /nfs/dbraw/zinc/48/27/57/787482757.db2.gz ZSUWZKAPMKZKCQ-JHJVBQTASA-N 1 0 344.408 -2.035 20 0 EAADRO C[NH+]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)CC1 ZINC001144901188 787483589 /nfs/dbraw/zinc/48/35/89/787483589.db2.gz ZSUWZKAPMKZKCQ-RWMBFGLXSA-N 1 0 344.408 -2.035 20 0 EAADRO C[NH+]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)CC1 ZINC001144901189 787482959 /nfs/dbraw/zinc/48/29/59/787482959.db2.gz ZSUWZKAPMKZKCQ-YNEHKIRRSA-N 1 0 344.408 -2.035 20 0 EAADRO O=C(C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901990 787484499 /nfs/dbraw/zinc/48/44/99/787484499.db2.gz GWVZJXHSGIYINP-FDYHWXHSSA-N 1 0 346.380 -3.046 20 0 EAADRO O=C(C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901991 787483946 /nfs/dbraw/zinc/48/39/46/787483946.db2.gz GWVZJXHSGIYINP-FVCCEPFGSA-N 1 0 346.380 -3.046 20 0 EAADRO O=C(C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901992 787483854 /nfs/dbraw/zinc/48/38/54/787483854.db2.gz GWVZJXHSGIYINP-MROQNXINSA-N 1 0 346.380 -3.046 20 0 EAADRO O=C(C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901993 787484357 /nfs/dbraw/zinc/48/43/57/787484357.db2.gz GWVZJXHSGIYINP-YVECIDJPSA-N 1 0 346.380 -3.046 20 0 EAADRO [NH3+]C1(CC2CCC2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144902018 787484615 /nfs/dbraw/zinc/48/46/15/787484615.db2.gz CHBHAYFMHHHCBT-FRRDWIJNSA-N 1 0 344.408 -1.859 20 0 EAADRO [NH3+]C1(CC2CCC2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144902019 787484569 /nfs/dbraw/zinc/48/45/69/787484569.db2.gz CHBHAYFMHHHCBT-JHJVBQTASA-N 1 0 344.408 -1.859 20 0 EAADRO [NH3+]C1(CC2CCC2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144902020 787484167 /nfs/dbraw/zinc/48/41/67/787484167.db2.gz CHBHAYFMHHHCBT-RWMBFGLXSA-N 1 0 344.408 -1.859 20 0 EAADRO [NH3+]C1(CC2CCC2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144902021 787484480 /nfs/dbraw/zinc/48/44/80/787484480.db2.gz CHBHAYFMHHHCBT-YNEHKIRRSA-N 1 0 344.408 -1.859 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902274 787484422 /nfs/dbraw/zinc/48/44/22/787484422.db2.gz DLVIBMOETAZPDM-FMKGYKFTSA-N 1 0 344.408 -1.846 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902292 787483922 /nfs/dbraw/zinc/48/39/22/787483922.db2.gz DLVIBMOETAZPDM-RUZUBIRVSA-N 1 0 344.408 -1.846 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902296 787483826 /nfs/dbraw/zinc/48/38/26/787483826.db2.gz DLVIBMOETAZPDM-VZZFWQQMSA-N 1 0 344.408 -1.846 20 0 EAADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902299 787484262 /nfs/dbraw/zinc/48/42/62/787484262.db2.gz DLVIBMOETAZPDM-YXCITZCRSA-N 1 0 344.408 -1.846 20 0 EAADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902406 787484111 /nfs/dbraw/zinc/48/41/11/787484111.db2.gz FEGXLSKSZQTOAA-QNWHQSFQSA-N 1 0 332.397 -2.133 20 0 EAADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902408 787484206 /nfs/dbraw/zinc/48/42/06/787484206.db2.gz FEGXLSKSZQTOAA-UMSGYPCISA-N 1 0 332.397 -2.133 20 0 EAADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902410 787483810 /nfs/dbraw/zinc/48/38/10/787483810.db2.gz FEGXLSKSZQTOAA-WUHRBBMRSA-N 1 0 332.397 -2.133 20 0 EAADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902412 787484189 /nfs/dbraw/zinc/48/41/89/787484189.db2.gz FEGXLSKSZQTOAA-ZDEQEGDKSA-N 1 0 332.397 -2.133 20 0 EAADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903579 787486417 /nfs/dbraw/zinc/48/64/17/787486417.db2.gz LVCBZPNLYHXXRL-FDYHWXHSSA-N 1 0 332.397 -1.989 20 0 EAADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903580 787485958 /nfs/dbraw/zinc/48/59/58/787485958.db2.gz LVCBZPNLYHXXRL-FVCCEPFGSA-N 1 0 332.397 -1.989 20 0 EAADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903581 787486195 /nfs/dbraw/zinc/48/61/95/787486195.db2.gz LVCBZPNLYHXXRL-MROQNXINSA-N 1 0 332.397 -1.989 20 0 EAADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903582 787486263 /nfs/dbraw/zinc/48/62/63/787486263.db2.gz LVCBZPNLYHXXRL-YVECIDJPSA-N 1 0 332.397 -1.989 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144903607 787486511 /nfs/dbraw/zinc/48/65/11/787486511.db2.gz MJCJMOOACMZWJD-FRRDWIJNSA-N 1 0 348.396 -2.752 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144903608 787486468 /nfs/dbraw/zinc/48/64/68/787486468.db2.gz MJCJMOOACMZWJD-JHJVBQTASA-N 1 0 348.396 -2.752 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144903609 787486040 /nfs/dbraw/zinc/48/60/40/787486040.db2.gz MJCJMOOACMZWJD-RWMBFGLXSA-N 1 0 348.396 -2.752 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144903610 787486031 /nfs/dbraw/zinc/48/60/31/787486031.db2.gz MJCJMOOACMZWJD-YNEHKIRRSA-N 1 0 348.396 -2.752 20 0 EAADRO [NH3+]Cc1ccc2c(n1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCC2 ZINC001144903970 787486442 /nfs/dbraw/zinc/48/64/42/787486442.db2.gz NWDJBBRBCPVVPW-GRYCIOLGSA-N 1 0 339.348 -2.536 20 0 EAADRO [NH3+]Cc1ccc2c(n1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCC2 ZINC001144903972 787486519 /nfs/dbraw/zinc/48/65/19/787486519.db2.gz NWDJBBRBCPVVPW-IJLUTSLNSA-N 1 0 339.348 -2.536 20 0 EAADRO [NH3+]Cc1ccc2c(n1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC2 ZINC001144903975 787486555 /nfs/dbraw/zinc/48/65/55/787486555.db2.gz NWDJBBRBCPVVPW-QJPTWQEYSA-N 1 0 339.348 -2.536 20 0 EAADRO [NH3+]Cc1ccc2c(n1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCC2 ZINC001144903977 787486379 /nfs/dbraw/zinc/48/63/79/787486379.db2.gz NWDJBBRBCPVVPW-SDDRHHMPSA-N 1 0 339.348 -2.536 20 0 EAADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1 ZINC001144904147 787486342 /nfs/dbraw/zinc/48/63/42/787486342.db2.gz OIFONYMXNPCILJ-BFHYXJOUSA-N 1 0 340.376 -1.992 20 0 EAADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1 ZINC001144904149 787486391 /nfs/dbraw/zinc/48/63/91/787486391.db2.gz OIFONYMXNPCILJ-HZSPNIEDSA-N 1 0 340.376 -1.992 20 0 EAADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1 ZINC001144904151 787486530 /nfs/dbraw/zinc/48/65/30/787486530.db2.gz OIFONYMXNPCILJ-MELADBBJSA-N 1 0 340.376 -1.992 20 0 EAADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1 ZINC001144904154 787486168 /nfs/dbraw/zinc/48/61/68/787486168.db2.gz OIFONYMXNPCILJ-MGPQQGTHSA-N 1 0 340.376 -1.992 20 0 EAADRO [NH3+][C@H]1CC[C@H](N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2COC2)CC1 ZINC001144904254 787486143 /nfs/dbraw/zinc/48/61/43/787486143.db2.gz OXPXEHLWUHCUIL-AOBWVBKOSA-N 1 0 346.380 -2.872 20 0 EAADRO [NH3+][C@H]1CC[C@H](N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2COC2)CC1 ZINC001144904256 787486482 /nfs/dbraw/zinc/48/64/82/787486482.db2.gz OXPXEHLWUHCUIL-CSBRLYRZSA-N 1 0 346.380 -2.872 20 0 EAADRO [NH3+][C@H]1CC[C@H](N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2COC2)CC1 ZINC001144904258 787485890 /nfs/dbraw/zinc/48/58/90/787485890.db2.gz OXPXEHLWUHCUIL-XDMBYNFVSA-N 1 0 346.380 -2.872 20 0 EAADRO [NH3+][C@H]1CC[C@H](N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2COC2)CC1 ZINC001144904260 787486288 /nfs/dbraw/zinc/48/62/88/787486288.db2.gz OXPXEHLWUHCUIL-XZPDDHLCSA-N 1 0 346.380 -2.872 20 0 EAADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144904525 787485942 /nfs/dbraw/zinc/48/59/42/787485942.db2.gz PLJQTEMOUYDRSU-ASHHDVGLSA-N 1 0 330.381 -2.238 20 0 EAADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144904526 787486054 /nfs/dbraw/zinc/48/60/54/787486054.db2.gz PLJQTEMOUYDRSU-DIURFFJMSA-N 1 0 330.381 -2.238 20 0 EAADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144904527 787486224 /nfs/dbraw/zinc/48/62/24/787486224.db2.gz PLJQTEMOUYDRSU-HTXLXMOSSA-N 1 0 330.381 -2.238 20 0 EAADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144904528 787486071 /nfs/dbraw/zinc/48/60/71/787486071.db2.gz PLJQTEMOUYDRSU-OJEZURLMSA-N 1 0 330.381 -2.238 20 0 EAADRO C[N@@H+]1CCCN(CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144905663 787487231 /nfs/dbraw/zinc/48/72/31/787487231.db2.gz RRCQWMYTIFJKBF-GRYCIOLGSA-N 1 0 333.385 -3.616 20 0 EAADRO C[N@@H+]1CCCN(CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144905664 787487135 /nfs/dbraw/zinc/48/71/35/787487135.db2.gz RRCQWMYTIFJKBF-IJLUTSLNSA-N 1 0 333.385 -3.616 20 0 EAADRO C[N@@H+]1CCCN(CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144905665 787487157 /nfs/dbraw/zinc/48/71/57/787487157.db2.gz RRCQWMYTIFJKBF-QJPTWQEYSA-N 1 0 333.385 -3.616 20 0 EAADRO C[N@@H+]1CCCN(CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144905666 787487478 /nfs/dbraw/zinc/48/74/78/787487478.db2.gz RRCQWMYTIFJKBF-SDDRHHMPSA-N 1 0 333.385 -3.616 20 0 EAADRO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144906345 787488520 /nfs/dbraw/zinc/48/85/20/787488520.db2.gz DXMHJDHQPIYZBH-IGQOVBAYSA-N 1 0 338.360 -2.457 20 0 EAADRO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144906351 787488537 /nfs/dbraw/zinc/48/85/37/787488537.db2.gz DXMHJDHQPIYZBH-REWJHTLYSA-N 1 0 338.360 -2.457 20 0 EAADRO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144906354 787488689 /nfs/dbraw/zinc/48/86/89/787488689.db2.gz DXMHJDHQPIYZBH-RFQIPJPRSA-N 1 0 338.360 -2.457 20 0 EAADRO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144906358 787488843 /nfs/dbraw/zinc/48/88/43/787488843.db2.gz DXMHJDHQPIYZBH-XDQVBPFNSA-N 1 0 338.360 -2.457 20 0 EAADRO COCCC1([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144906495 787488174 /nfs/dbraw/zinc/48/81/74/787488174.db2.gz FHNZGVPUFKNIFX-GARJFASQSA-N 1 0 334.369 -3.013 20 0 EAADRO COCCC1([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144906503 787488853 /nfs/dbraw/zinc/48/88/53/787488853.db2.gz FHNZGVPUFKNIFX-GMTAPVOTSA-N 1 0 334.369 -3.013 20 0 EAADRO COCCC1([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144906506 787488164 /nfs/dbraw/zinc/48/81/64/787488164.db2.gz FHNZGVPUFKNIFX-HBNTYKKESA-N 1 0 334.369 -3.013 20 0 EAADRO COCCC1([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144906507 787488395 /nfs/dbraw/zinc/48/83/95/787488395.db2.gz FHNZGVPUFKNIFX-OUAUKWLOSA-N 1 0 334.369 -3.013 20 0 EAADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1 ZINC001144907139 787489590 /nfs/dbraw/zinc/48/95/90/787489590.db2.gz UNCCAFAJVMEDNP-BFHYXJOUSA-N 1 0 340.376 -1.627 20 0 EAADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1 ZINC001144907140 787489729 /nfs/dbraw/zinc/48/97/29/787489729.db2.gz UNCCAFAJVMEDNP-HZSPNIEDSA-N 1 0 340.376 -1.627 20 0 EAADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1 ZINC001144907141 787489556 /nfs/dbraw/zinc/48/95/56/787489556.db2.gz UNCCAFAJVMEDNP-MELADBBJSA-N 1 0 340.376 -1.627 20 0 EAADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC001144907142 787489416 /nfs/dbraw/zinc/48/94/16/787489416.db2.gz UNCCAFAJVMEDNP-MGPQQGTHSA-N 1 0 340.376 -1.627 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H](C)C1 ZINC001144907531 787489855 /nfs/dbraw/zinc/48/98/55/787489855.db2.gz MWBWWABYMYHXCD-KSSYENDESA-N 1 0 332.397 -2.135 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)C1 ZINC001144907534 787489783 /nfs/dbraw/zinc/48/97/83/787489783.db2.gz MWBWWABYMYHXCD-NZEXEKPDSA-N 1 0 332.397 -2.135 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H](C)C1 ZINC001144907536 787489315 /nfs/dbraw/zinc/48/93/15/787489315.db2.gz MWBWWABYMYHXCD-QNWJLWSRSA-N 1 0 332.397 -2.135 20 0 EAADRO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H](C)C1 ZINC001144907538 787489898 /nfs/dbraw/zinc/48/98/98/787489898.db2.gz MWBWWABYMYHXCD-RXGFPQBGSA-N 1 0 332.397 -2.135 20 0 EAADRO C[NH+]1C(C)(C)CC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1(C)C ZINC001144907567 787489411 /nfs/dbraw/zinc/48/94/11/787489411.db2.gz YSVDPQYKUJZZON-GRYCIOLGSA-N 1 0 346.424 -1.602 20 0 EAADRO C[NH+]1C(C)(C)CC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1(C)C ZINC001144907570 787489361 /nfs/dbraw/zinc/48/93/61/787489361.db2.gz YSVDPQYKUJZZON-IJLUTSLNSA-N 1 0 346.424 -1.602 20 0 EAADRO C[NH+]1C(C)(C)CC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1(C)C ZINC001144907574 787489759 /nfs/dbraw/zinc/48/97/59/787489759.db2.gz YSVDPQYKUJZZON-QJPTWQEYSA-N 1 0 346.424 -1.602 20 0 EAADRO C[NH+]1C(C)(C)CC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1(C)C ZINC001144907577 787489470 /nfs/dbraw/zinc/48/94/70/787489470.db2.gz YSVDPQYKUJZZON-SDDRHHMPSA-N 1 0 346.424 -1.602 20 0 EAADRO C[NH+](C)CC1CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144908087 787490712 /nfs/dbraw/zinc/49/07/12/787490712.db2.gz RXBNDKIRPILYIK-FQLQODGNSA-N 1 0 332.397 -2.133 20 0 EAADRO C[NH+](C)CC1CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144908088 787490389 /nfs/dbraw/zinc/49/03/89/787490389.db2.gz RXBNDKIRPILYIK-KAKVVRBNSA-N 1 0 332.397 -2.133 20 0 EAADRO C[NH+](C)CC1CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144908089 787490447 /nfs/dbraw/zinc/49/04/47/787490447.db2.gz RXBNDKIRPILYIK-RKJHCZSYSA-N 1 0 332.397 -2.133 20 0 EAADRO C[NH+](C)CC1CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144908090 787490405 /nfs/dbraw/zinc/49/04/05/787490405.db2.gz RXBNDKIRPILYIK-UDSBESMDSA-N 1 0 332.397 -2.133 20 0 EAADRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144908271 787490819 /nfs/dbraw/zinc/49/08/19/787490819.db2.gz UBPXFRUJPCXXOZ-MEBFFEOJSA-N 1 0 346.424 -1.600 20 0 EAADRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144908272 787490759 /nfs/dbraw/zinc/49/07/59/787490759.db2.gz UBPXFRUJPCXXOZ-XHJNMGKDSA-N 1 0 346.424 -1.600 20 0 EAADRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144908273 787490801 /nfs/dbraw/zinc/49/08/01/787490801.db2.gz UBPXFRUJPCXXOZ-XVIXHAIJSA-N 1 0 346.424 -1.600 20 0 EAADRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144908274 787490398 /nfs/dbraw/zinc/49/03/98/787490398.db2.gz UBPXFRUJPCXXOZ-ZUWCUPBKSA-N 1 0 346.424 -1.600 20 0 EAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001144908391 787483555 /nfs/dbraw/zinc/48/35/55/787483555.db2.gz WVZQMVLWRIOXRY-DHGKCCLASA-N 1 0 346.424 -1.615 20 0 EAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001144908392 787482822 /nfs/dbraw/zinc/48/28/22/787482822.db2.gz WVZQMVLWRIOXRY-HTVCTNPSSA-N 1 0 346.424 -1.615 20 0 EAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001144908393 787483137 /nfs/dbraw/zinc/48/31/37/787483137.db2.gz WVZQMVLWRIOXRY-QSLWVIQJSA-N 1 0 346.424 -1.615 20 0 EAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001144908394 787482907 /nfs/dbraw/zinc/48/29/07/787482907.db2.gz WVZQMVLWRIOXRY-XGFWRYKXSA-N 1 0 346.424 -1.615 20 0 EAADRO [NH3+]CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccc(F)cc1 ZINC001144908507 787493495 /nfs/dbraw/zinc/49/34/95/787493495.db2.gz YYDRDRYWMYZXKI-GRYCIOLGSA-N 1 0 330.312 -2.239 20 0 EAADRO [NH3+]CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(F)cc1 ZINC001144908508 787493034 /nfs/dbraw/zinc/49/30/34/787493034.db2.gz YYDRDRYWMYZXKI-IJLUTSLNSA-N 1 0 330.312 -2.239 20 0 EAADRO [NH3+]CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ccc(F)cc1 ZINC001144908509 787493557 /nfs/dbraw/zinc/49/35/57/787493557.db2.gz YYDRDRYWMYZXKI-QJPTWQEYSA-N 1 0 330.312 -2.239 20 0 EAADRO [NH3+]CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccc(F)cc1 ZINC001144908510 787492945 /nfs/dbraw/zinc/49/29/45/787492945.db2.gz YYDRDRYWMYZXKI-SDDRHHMPSA-N 1 0 330.312 -2.239 20 0 EAADRO COC(=O)[C@H](CCC(=O)NCCN(CC[NH3+])N(O)N=O)NC(C)=O ZINC001144963176 787495699 /nfs/dbraw/zinc/49/56/99/787495699.db2.gz FIKXESPKUYPXJG-JTQLQIEISA-N 1 0 348.360 -1.891 20 0 EAADRO CCOC(=O)CN(CC[NH3+])C(=O)CC[C@H](NC(C)=O)C(=O)OC ZINC001144964012 787496986 /nfs/dbraw/zinc/49/69/86/787496986.db2.gz OSXPXXXQVDJRED-NSHDSACASA-N 1 0 331.369 -1.205 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC)C1CC1 ZINC001146182708 787502017 /nfs/dbraw/zinc/50/20/17/787502017.db2.gz AVZPAPUDNGEYNL-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CCc1c[nH]c(=O)c(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001146182755 787502185 /nfs/dbraw/zinc/50/21/85/787502185.db2.gz BLIPKBFIMOHCPZ-UHFFFAOYSA-N 1 0 349.391 -1.373 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001146182809 787501098 /nfs/dbraw/zinc/50/10/98/787501098.db2.gz BXNRDODSSLNKNF-LLVKDONJSA-N 1 0 344.441 -1.247 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001146182826 787501462 /nfs/dbraw/zinc/50/14/62/787501462.db2.gz BXNRDODSSLNKNF-NSHDSACASA-N 1 0 344.441 -1.247 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001146182921 787501336 /nfs/dbraw/zinc/50/13/36/787501336.db2.gz CNRBAQOFMCYQRM-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001146182923 787502053 /nfs/dbraw/zinc/50/20/53/787502053.db2.gz CRHRGMWYLORIHL-GFCCVEGCSA-N 1 0 347.441 -1.769 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001146182924 787501721 /nfs/dbraw/zinc/50/17/21/787501721.db2.gz CRHRGMWYLORIHL-LBPRGKRZSA-N 1 0 347.441 -1.769 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001146182939 787501062 /nfs/dbraw/zinc/50/10/62/787501062.db2.gz DIHJUHDKWZOBPB-UHFFFAOYSA-N 1 0 347.397 -1.400 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001146183178 787502143 /nfs/dbraw/zinc/50/21/43/787502143.db2.gz GPSQQEUTMTVZIQ-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001146183179 787501749 /nfs/dbraw/zinc/50/17/49/787501749.db2.gz GPSQQEUTMTVZIQ-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001146183188 787501568 /nfs/dbraw/zinc/50/15/68/787501568.db2.gz HIJHSOZYFLEPEP-MRVPVSSYSA-N 1 0 337.402 -2.443 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001146183189 787501220 /nfs/dbraw/zinc/50/12/20/787501220.db2.gz HIJHSOZYFLEPEP-QMMMGPOBSA-N 1 0 337.402 -2.443 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1cncc(OC)n1 ZINC001146183206 787501597 /nfs/dbraw/zinc/50/15/97/787501597.db2.gz IBSMLUXOFUIMHE-UHFFFAOYSA-N 1 0 345.425 -1.028 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCc1ccnn1C ZINC001146183211 787502107 /nfs/dbraw/zinc/50/21/07/787502107.db2.gz IJMZWPCQEAHYOX-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001146183233 787501838 /nfs/dbraw/zinc/50/18/38/787501838.db2.gz JTGXYFFSWVBREY-UHFFFAOYSA-N 1 0 335.430 -2.001 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001146183240 787501305 /nfs/dbraw/zinc/50/13/05/787501305.db2.gz JWMPGVDIOVKSSN-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001146183244 787501738 /nfs/dbraw/zinc/50/17/38/787501738.db2.gz JZTPUMZZOMXIDF-UHFFFAOYSA-N 1 0 344.459 -2.477 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001146183519 787501679 /nfs/dbraw/zinc/50/16/79/787501679.db2.gz LXCWJBQGYXHXHE-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001146183520 787501807 /nfs/dbraw/zinc/50/18/07/787501807.db2.gz LXCWJBQGYXHXHE-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001146183542 787501555 /nfs/dbraw/zinc/50/15/55/787501555.db2.gz NNVAEAIPMGUZDQ-UHFFFAOYSA-N 1 0 343.471 -1.592 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001146183565 787501895 /nfs/dbraw/zinc/50/18/95/787501895.db2.gz OYRVIYRIZIPSJN-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001146183813 787500974 /nfs/dbraw/zinc/50/09/74/787500974.db2.gz QUVMNFJWVBCPAT-UHFFFAOYSA-N 1 0 349.413 -2.475 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001146183825 787501530 /nfs/dbraw/zinc/50/15/30/787501530.db2.gz REQFPPFHYYTAME-UHFFFAOYSA-N 1 0 336.458 -1.254 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)CN(C)S(=O)(=O)CC)C1=O ZINC001146183837 787502064 /nfs/dbraw/zinc/50/20/64/787502064.db2.gz RSODFNLSAPOQOF-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)CN(C)S(=O)(=O)CC)C1=O ZINC001146183838 787501728 /nfs/dbraw/zinc/50/17/28/787501728.db2.gz RSODFNLSAPOQOF-NSHDSACASA-N 1 0 334.442 -1.406 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001146183916 787501209 /nfs/dbraw/zinc/50/12/09/787501209.db2.gz HNAUFINBKUKKIV-GHMZBOCLSA-N 1 0 332.430 -1.300 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]CCNS(C)(=O)=O ZINC001146183922 787500966 /nfs/dbraw/zinc/50/09/66/787500966.db2.gz HNAUFINBKUKKIV-MNOVXSKESA-N 1 0 332.430 -1.300 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001146183924 787501422 /nfs/dbraw/zinc/50/14/22/787501422.db2.gz HNAUFINBKUKKIV-QWRGUYRKSA-N 1 0 332.430 -1.300 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001146183925 787501401 /nfs/dbraw/zinc/50/14/01/787501401.db2.gz HNAUFINBKUKKIV-WDEREUQCSA-N 1 0 332.430 -1.300 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCNC(N)=O ZINC001146183984 787500921 /nfs/dbraw/zinc/50/09/21/787500921.db2.gz IMLZZJHBGVWILL-NXEZZACHSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCNC(N)=O ZINC001146183985 787501917 /nfs/dbraw/zinc/50/19/17/787501917.db2.gz IMLZZJHBGVWILL-UWVGGRQHSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCNC(N)=O ZINC001146183986 787502058 /nfs/dbraw/zinc/50/20/58/787502058.db2.gz IMLZZJHBGVWILL-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]CCN1C(=O)CNC1=O ZINC001146183987 787501087 /nfs/dbraw/zinc/50/10/87/787501087.db2.gz IMLZZJHBGVWILL-ZJUUUORDSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1cncn1 ZINC001146184043 787500887 /nfs/dbraw/zinc/50/08/87/787500887.db2.gz IYGJDNJQORRAPN-GHMZBOCLSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]CCN1C(=O)CNC1=O ZINC001146184056 787501786 /nfs/dbraw/zinc/50/17/86/787501786.db2.gz IYGJDNJQORRAPN-MNOVXSKESA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1cncn1 ZINC001146184057 787501442 /nfs/dbraw/zinc/50/14/42/787501442.db2.gz IYGJDNJQORRAPN-QWRGUYRKSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cn1cncn1 ZINC001146184060 787501074 /nfs/dbraw/zinc/50/10/74/787501074.db2.gz IYGJDNJQORRAPN-WDEREUQCSA-N 1 0 337.384 -1.297 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146184173 787501322 /nfs/dbraw/zinc/50/13/22/787501322.db2.gz VIIIXXVTLISZFF-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146184174 787502728 /nfs/dbraw/zinc/50/27/28/787502728.db2.gz VIIIXXVTLISZFF-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001146184232 787503644 /nfs/dbraw/zinc/50/36/44/787503644.db2.gz WKUUXRISDHEHMM-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001146184245 787503153 /nfs/dbraw/zinc/50/31/53/787503153.db2.gz WWKWGVUMUQCHOY-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001146184246 787503099 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CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001146184671 787502971 /nfs/dbraw/zinc/50/29/71/787502971.db2.gz NURBJRVKRSGVPS-VHSXEESVSA-N 1 0 325.373 -1.393 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001146184672 787502875 /nfs/dbraw/zinc/50/28/75/787502875.db2.gz NURBJRVKRSGVPS-ZJUUUORDSA-N 1 0 325.373 -1.393 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCNC(N)=O ZINC001146185531 787502486 /nfs/dbraw/zinc/50/24/86/787502486.db2.gz ZTENUNASHSYEAK-NXEZZACHSA-N 1 0 337.446 -1.533 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCNC(N)=O ZINC001146185532 787503320 /nfs/dbraw/zinc/50/33/20/787503320.db2.gz ZTENUNASHSYEAK-UWVGGRQHSA-N 1 0 337.446 -1.533 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCNC(N)=O ZINC001146185533 787502677 /nfs/dbraw/zinc/50/26/77/787502677.db2.gz ZTENUNASHSYEAK-VHSXEESVSA-N 1 0 337.446 -1.533 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]CCNS(C)(=O)=O ZINC001146185534 787503410 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C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CCC1=O ZINC001146190860 787503009 /nfs/dbraw/zinc/50/30/09/787503009.db2.gz APRVCUSZUDZUED-VHSXEESVSA-N 1 0 337.384 -1.268 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1nnnn1C ZINC001146190861 787502682 /nfs/dbraw/zinc/50/26/82/787502682.db2.gz APRVCUSZUDZUED-ZJUUUORDSA-N 1 0 337.384 -1.268 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146191182 787502711 /nfs/dbraw/zinc/50/27/11/787502711.db2.gz RPXKGKDMMYFLFV-UHFFFAOYSA-N 1 0 326.401 -1.096 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146191553 787503111 /nfs/dbraw/zinc/50/31/11/787503111.db2.gz VMUXLTWHKFDMLE-UHFFFAOYSA-N 1 0 342.400 -1.810 20 0 EAADRO Cn1ncnc1COCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001146191567 787502638 /nfs/dbraw/zinc/50/26/38/787502638.db2.gz VWEYQSOGRBBVMW-UHFFFAOYSA-N 1 0 338.412 -1.046 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146191570 787503436 /nfs/dbraw/zinc/50/34/36/787503436.db2.gz 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341.368 -1.797 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1C(=O)CCC1=O ZINC001146193085 787503652 /nfs/dbraw/zinc/50/36/52/787503652.db2.gz NHLHKXFJVZJYKS-RKDXNWHRSA-N 1 0 341.368 -1.797 20 0 EAADRO Cn1cnnc1COCC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001146199662 787503143 /nfs/dbraw/zinc/50/31/43/787503143.db2.gz AVRKQMVUTBYPOX-UHFFFAOYSA-N 1 0 334.380 -1.064 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146199732 787503239 /nfs/dbraw/zinc/50/32/39/787503239.db2.gz BTFFVRMNZMDGDD-UHFFFAOYSA-N 1 0 348.429 -2.023 20 0 EAADRO Cn1ncnc1COCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001146199780 787503345 /nfs/dbraw/zinc/50/33/45/787503345.db2.gz CIXGIYHTJONACA-UHFFFAOYSA-N 1 0 339.356 -2.411 20 0 EAADRO Cn1ncnc1COCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001146199782 787502530 /nfs/dbraw/zinc/50/25/30/787502530.db2.gz CJHGPTHFZFUAHJ-UHFFFAOYSA-N 1 0 325.373 -1.937 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146199985 787502865 /nfs/dbraw/zinc/50/28/65/787502865.db2.gz 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CC(C)N(C)C(=O)C[NH2+]CCNC(=O)COCc1nncn1C ZINC001146209500 787504439 /nfs/dbraw/zinc/50/44/39/787504439.db2.gz YJAMDCWWIWUBHW-UHFFFAOYSA-N 1 0 326.401 -1.096 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)COCc1nncn1C)CS(C)(=O)=O ZINC001146209506 787504388 /nfs/dbraw/zinc/50/43/88/787504388.db2.gz YJXAMZUCZQKOOO-LLVKDONJSA-N 1 0 347.441 -1.282 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)COCc1nncn1C)CS(C)(=O)=O ZINC001146209508 787504228 /nfs/dbraw/zinc/50/42/28/787504228.db2.gz YJXAMZUCZQKOOO-NSHDSACASA-N 1 0 347.441 -1.282 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)COCc1nncn1C ZINC001146209515 787504788 /nfs/dbraw/zinc/50/47/88/787504788.db2.gz YNRDZRUJPVBJLJ-UHFFFAOYSA-N 1 0 326.401 -1.094 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1nncn1C ZINC001146209534 787504674 /nfs/dbraw/zinc/50/46/74/787504674.db2.gz ZKPWQXPCYTXMJL-LLVKDONJSA-N 1 0 326.401 -1.048 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1nncn1C ZINC001146209535 787505053 /nfs/dbraw/zinc/50/50/53/787505053.db2.gz ZKPWQXPCYTXMJL-NSHDSACASA-N 1 0 326.401 -1.048 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146214996 787504560 /nfs/dbraw/zinc/50/45/60/787504560.db2.gz CCFPOKLTWFQSQV-LLVKDONJSA-N 1 0 326.401 -1.048 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146214997 787504603 /nfs/dbraw/zinc/50/46/03/787504603.db2.gz CCFPOKLTWFQSQV-NSHDSACASA-N 1 0 326.401 -1.048 20 0 EAADRO Cn1cnnc1COCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001146215038 787504242 /nfs/dbraw/zinc/50/42/42/787504242.db2.gz DEIBNSCPDWNSAV-GFCCVEGCSA-N 1 0 337.384 -1.705 20 0 EAADRO Cn1cnnc1COCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001146215040 787505071 /nfs/dbraw/zinc/50/50/71/787505071.db2.gz DEIBNSCPDWNSAV-LBPRGKRZSA-N 1 0 337.384 -1.705 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)COCc1ncnn1C)CS(C)(=O)=O ZINC001146215057 787504146 /nfs/dbraw/zinc/50/41/46/787504146.db2.gz DRAUCODTGGUSSO-LLVKDONJSA-N 1 0 347.441 -1.282 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)COCc1ncnn1C)CS(C)(=O)=O ZINC001146215058 787504189 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ZINC001146216515 787504521 /nfs/dbraw/zinc/50/45/21/787504521.db2.gz NRKOMNFJZNOJGV-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCN1C(=O)CNC1=O ZINC001146216516 787504325 /nfs/dbraw/zinc/50/43/25/787504325.db2.gz NRKOMNFJZNOJGV-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO COCCC(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001146222789 787501514 /nfs/dbraw/zinc/50/15/14/787501514.db2.gz PBXHGTPRJSSRSF-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1nnnn1C ZINC001146224153 787506026 /nfs/dbraw/zinc/50/60/26/787506026.db2.gz DRFOHFLKYJWMLX-BDAKNGLRSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CNC1=O ZINC001146224155 787505902 /nfs/dbraw/zinc/50/59/02/787505902.db2.gz DRFOHFLKYJWMLX-DTWKUNHWSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CNC1=O ZINC001146224157 787506535 /nfs/dbraw/zinc/50/65/35/787506535.db2.gz DRFOHFLKYJWMLX-IUCAKERBSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CNC1=O ZINC001146224158 787505476 /nfs/dbraw/zinc/50/54/76/787505476.db2.gz DRFOHFLKYJWMLX-RKDXNWHRSA-N 1 0 338.372 -1.865 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1C(=O)CNC1=O ZINC001146224197 787505789 /nfs/dbraw/zinc/50/57/89/787505789.db2.gz FHPDHRFCBMWFMC-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)N1CCC1 ZINC001146224200 787506201 /nfs/dbraw/zinc/50/62/01/787506201.db2.gz FHPDHRFCBMWFMC-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1C(=O)CNC1=O ZINC001146224202 787506350 /nfs/dbraw/zinc/50/63/50/787506350.db2.gz FHPDHRFCBMWFMC-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN1C(=O)CNC1=O ZINC001146224203 787506500 /nfs/dbraw/zinc/50/65/00/787506500.db2.gz FHPDHRFCBMWFMC-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CCNC(N)=O ZINC001146224834 787506007 /nfs/dbraw/zinc/50/60/07/787506007.db2.gz JIAMACJYJPEMAG-GHMZBOCLSA-N 1 0 328.417 -1.057 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]CCN1CCNC1=O ZINC001146224835 787506345 /nfs/dbraw/zinc/50/63/45/787506345.db2.gz JIAMACJYJPEMAG-MNOVXSKESA-N 1 0 328.417 -1.057 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CCNC(N)=O ZINC001146224836 787506326 /nfs/dbraw/zinc/50/63/26/787506326.db2.gz JIAMACJYJPEMAG-QWRGUYRKSA-N 1 0 328.417 -1.057 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)CCNC(N)=O ZINC001146224837 787505620 /nfs/dbraw/zinc/50/56/20/787505620.db2.gz JIAMACJYJPEMAG-WDEREUQCSA-N 1 0 328.417 -1.057 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146224974 787505582 /nfs/dbraw/zinc/50/55/82/787505582.db2.gz KZQZZDCFCNBDQC-BDAKNGLRSA-N 1 0 327.389 -1.460 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCNC(N)=O ZINC001146224975 787506287 /nfs/dbraw/zinc/50/62/87/787506287.db2.gz KZQZZDCFCNBDQC-DTWKUNHWSA-N 1 0 327.389 -1.460 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCNC(N)=O ZINC001146224976 787506305 /nfs/dbraw/zinc/50/63/05/787506305.db2.gz KZQZZDCFCNBDQC-IUCAKERBSA-N 1 0 327.389 -1.460 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCNC(N)=O ZINC001146224977 787505629 /nfs/dbraw/zinc/50/56/29/787505629.db2.gz KZQZZDCFCNBDQC-RKDXNWHRSA-N 1 0 327.389 -1.460 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001146225074 787506093 /nfs/dbraw/zinc/50/60/93/787506093.db2.gz MQNSXURPEANKTP-BDAKNGLRSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001146225075 787505508 /nfs/dbraw/zinc/50/55/08/787505508.db2.gz MQNSXURPEANKTP-DTWKUNHWSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001146225076 787505593 /nfs/dbraw/zinc/50/55/93/787505593.db2.gz MQNSXURPEANKTP-IUCAKERBSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001146225077 787505710 /nfs/dbraw/zinc/50/57/10/787505710.db2.gz MQNSXURPEANKTP-RKDXNWHRSA-N 1 0 330.389 -1.627 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001146225390 787505464 /nfs/dbraw/zinc/50/54/64/787505464.db2.gz PVWJWLLUHCJHOR-NXEZZACHSA-N 1 0 344.416 -1.237 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001146225391 787506518 /nfs/dbraw/zinc/50/65/18/787506518.db2.gz PVWJWLLUHCJHOR-UWVGGRQHSA-N 1 0 344.416 -1.237 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001146225392 787506373 /nfs/dbraw/zinc/50/63/73/787506373.db2.gz PVWJWLLUHCJHOR-VHSXEESVSA-N 1 0 344.416 -1.237 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001146225393 787506129 /nfs/dbraw/zinc/50/61/29/787506129.db2.gz PVWJWLLUHCJHOR-ZJUUUORDSA-N 1 0 344.416 -1.237 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nncn1C)NC(=O)CN1C(=O)CNC1=O ZINC001146225498 787506041 /nfs/dbraw/zinc/50/60/41/787506041.db2.gz QLFIBPMYUQWFHT-NXEZZACHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)CN1C(=O)CNC1=O ZINC001146225504 787505445 /nfs/dbraw/zinc/50/54/45/787505445.db2.gz QLFIBPMYUQWFHT-UWVGGRQHSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)CN1C(=O)CNC1=O ZINC001146225505 787505932 /nfs/dbraw/zinc/50/59/32/787505932.db2.gz QLFIBPMYUQWFHT-VHSXEESVSA-N 1 0 337.384 -1.260 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1nncn1C ZINC001146225507 787505645 /nfs/dbraw/zinc/50/56/45/787505645.db2.gz QLFIBPMYUQWFHT-ZJUUUORDSA-N 1 0 337.384 -1.260 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146225559 787505679 /nfs/dbraw/zinc/50/56/79/787505679.db2.gz REPAAKRIDFKYPA-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146225561 787505700 /nfs/dbraw/zinc/50/57/00/787505700.db2.gz REPAAKRIDFKYPA-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146225562 787506508 /nfs/dbraw/zinc/50/65/08/787506508.db2.gz REPAAKRIDFKYPA-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146225563 787506016 /nfs/dbraw/zinc/50/60/16/787506016.db2.gz REPAAKRIDFKYPA-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]CC(=O)N1CCOCC1 ZINC001146226630 787505374 /nfs/dbraw/zinc/50/53/74/787505374.db2.gz YCQTYJZGTVUXEX-NEPJUHHUSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)CCNC(N)=O ZINC001146226641 787506488 /nfs/dbraw/zinc/50/64/88/787506488.db2.gz YCQTYJZGTVUXEX-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)CCNC(N)=O ZINC001146226643 787505838 /nfs/dbraw/zinc/50/58/38/787505838.db2.gz YCQTYJZGTVUXEX-RYUDHWBXSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)CCNC(N)=O ZINC001146226646 787506466 /nfs/dbraw/zinc/50/64/66/787506466.db2.gz YCQTYJZGTVUXEX-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ccccc1=O ZINC001146228803 787506146 /nfs/dbraw/zinc/50/61/46/787506146.db2.gz GOBJVNCTZWSZMX-GHMZBOCLSA-N 1 0 337.380 -1.084 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)Cn1ccccc1=O)[NH2+]CC(=O)NC(N)=O ZINC001146228804 787506231 /nfs/dbraw/zinc/50/62/31/787506231.db2.gz GOBJVNCTZWSZMX-MNOVXSKESA-N 1 0 337.380 -1.084 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ccccc1=O ZINC001146228806 787506719 /nfs/dbraw/zinc/50/67/19/787506719.db2.gz GOBJVNCTZWSZMX-QWRGUYRKSA-N 1 0 337.380 -1.084 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ccccc1=O ZINC001146228807 787507049 /nfs/dbraw/zinc/50/70/49/787507049.db2.gz GOBJVNCTZWSZMX-WDEREUQCSA-N 1 0 337.380 -1.084 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001146237837 787506752 /nfs/dbraw/zinc/50/67/52/787506752.db2.gz CFEREYSTKXXCFZ-LLVKDONJSA-N 1 0 345.425 -1.092 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001146237844 787507719 /nfs/dbraw/zinc/50/77/19/787507719.db2.gz CFEREYSTKXXCFZ-NSHDSACASA-N 1 0 345.425 -1.092 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001146238540 787507340 /nfs/dbraw/zinc/50/73/40/787507340.db2.gz JLYFXZZYTNHKEZ-NSHDSACASA-N 1 0 325.369 -1.390 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001146244174 787505097 /nfs/dbraw/zinc/50/50/97/787505097.db2.gz MHWKCMIQEZFWRC-JTQLQIEISA-N 1 0 325.369 -1.126 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001146244176 787505161 /nfs/dbraw/zinc/50/51/61/787505161.db2.gz MHWKCMIQEZFWRC-SNVBAGLBSA-N 1 0 325.369 -1.126 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001146244319 787504731 /nfs/dbraw/zinc/50/47/31/787504731.db2.gz PJUWSBJCPIVABX-JTQLQIEISA-N 1 0 339.352 -1.864 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001146244320 787504393 /nfs/dbraw/zinc/50/43/93/787504393.db2.gz PJUWSBJCPIVABX-SNVBAGLBSA-N 1 0 339.352 -1.864 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001146244323 787504755 /nfs/dbraw/zinc/50/47/55/787504755.db2.gz PNEFRDURTYCDIG-UHFFFAOYSA-N 1 0 333.414 -1.092 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001146244470 787504619 /nfs/dbraw/zinc/50/46/19/787504619.db2.gz RLHISGSZNXURCE-LLVKDONJSA-N 1 0 325.369 -1.221 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001146244473 787504545 /nfs/dbraw/zinc/50/45/45/787504545.db2.gz RLHISGSZNXURCE-NSHDSACASA-N 1 0 325.369 -1.221 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nonc1C ZINC001146251534 787505417 /nfs/dbraw/zinc/50/54/17/787505417.db2.gz NQWGFARNKFSJAP-SECBINFHSA-N 1 0 326.357 -1.139 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nonc1C ZINC001146251538 787506157 /nfs/dbraw/zinc/50/61/57/787506157.db2.gz NQWGFARNKFSJAP-VIFPVBQESA-N 1 0 326.357 -1.139 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nonc1C ZINC001146251573 787506397 /nfs/dbraw/zinc/50/63/97/787506397.db2.gz ONVLVRZZURAVIO-UHFFFAOYSA-N 1 0 326.357 -1.138 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001146252361 787505560 /nfs/dbraw/zinc/50/55/60/787505560.db2.gz ZTJWUMOIWKMRCB-UHFFFAOYSA-N 1 0 325.369 -1.078 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1nonc1C ZINC001146256043 787505861 /nfs/dbraw/zinc/50/58/61/787505861.db2.gz GLWYAHSZXNEPCA-UHFFFAOYSA-N 1 0 333.414 -1.044 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001146256421 787505521 /nfs/dbraw/zinc/50/55/21/787505521.db2.gz VBKFCGBPYMDXBL-UHFFFAOYSA-N 1 0 331.398 -1.338 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001146256453 787507320 /nfs/dbraw/zinc/50/73/20/787507320.db2.gz WEVRMEMHGKUMBS-LLVKDONJSA-N 1 0 325.369 -1.078 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001146256454 787507055 /nfs/dbraw/zinc/50/70/55/787507055.db2.gz WEVRMEMHGKUMBS-NSHDSACASA-N 1 0 325.369 -1.078 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001146261621 787506929 /nfs/dbraw/zinc/50/69/29/787506929.db2.gz BWARBGDKOUBZBZ-UHFFFAOYSA-N 1 0 336.352 -1.776 20 0 EAADRO CC1(C)[C@H](C(=O)n2cnc(C[NH3+])cc2=N)N2C(=O)C[C@H]2S1(=O)=O ZINC001146262861 787507476 /nfs/dbraw/zinc/50/74/76/787507476.db2.gz OFQZMTWQWGJHNU-MNOVXSKESA-N 1 0 339.377 -1.405 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001146262883 787507531 /nfs/dbraw/zinc/50/75/31/787507531.db2.gz SVPKBJCJKDQRAR-JTQLQIEISA-N 1 0 340.384 -1.781 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001146262884 787507649 /nfs/dbraw/zinc/50/76/49/787507649.db2.gz SVPKBJCJKDQRAR-SNVBAGLBSA-N 1 0 340.384 -1.781 20 0 EAADRO Cc1nonc1CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001146263216 787507627 /nfs/dbraw/zinc/50/76/27/787507627.db2.gz YIKUUVWJPIBIFP-UHFFFAOYSA-N 1 0 338.368 -1.043 20 0 EAADRO CC1(C)[C@H](C(=O)NC(=N)SCC[NH3+])N2C(=O)C[C@H]2S1(=O)=O ZINC001146263565 787507517 /nfs/dbraw/zinc/50/75/17/787507517.db2.gz ZWACBRMFXJWVSK-SFYZADRCSA-N 1 0 334.423 -1.137 20 0 EAADRO CC1(C)[C@H](C(=O)n2cc(C[NH3+])cnc2=N)N2C(=O)C[C@H]2S1(=O)=O ZINC001146266663 787506736 /nfs/dbraw/zinc/50/67/36/787506736.db2.gz MCSBAUCPDOKISL-ZJUUUORDSA-N 1 0 339.377 -1.405 20 0 EAADRO CCCc1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)no1 ZINC001146288758 787507388 /nfs/dbraw/zinc/50/73/88/787507388.db2.gz BGKORWPNXGXKBD-UHFFFAOYSA-N 1 0 337.380 -1.095 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311716 787507041 /nfs/dbraw/zinc/50/70/41/787507041.db2.gz ANPILAZYUUHUIA-BDAKNGLRSA-N 1 0 325.369 -1.282 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311721 787507616 /nfs/dbraw/zinc/50/76/16/787507616.db2.gz ANPILAZYUUHUIA-DTWKUNHWSA-N 1 0 325.369 -1.282 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311724 787507799 /nfs/dbraw/zinc/50/77/99/787507799.db2.gz ANPILAZYUUHUIA-IUCAKERBSA-N 1 0 325.369 -1.282 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311725 787507664 /nfs/dbraw/zinc/50/76/64/787507664.db2.gz ANPILAZYUUHUIA-RKDXNWHRSA-N 1 0 325.369 -1.282 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314313 787506946 /nfs/dbraw/zinc/50/69/46/787506946.db2.gz LTCAHRPCLNBIDQ-NEPJUHHUSA-N 1 0 348.469 -1.664 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314335 787507034 /nfs/dbraw/zinc/50/70/34/787507034.db2.gz LTCAHRPCLNBIDQ-NWDGAFQWSA-N 1 0 348.469 -1.664 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314336 787507071 /nfs/dbraw/zinc/50/70/71/787507071.db2.gz LTCAHRPCLNBIDQ-RYUDHWBXSA-N 1 0 348.469 -1.664 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314337 787507287 /nfs/dbraw/zinc/50/72/87/787507287.db2.gz LTCAHRPCLNBIDQ-VXGBXAGGSA-N 1 0 348.469 -1.664 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314646 787507254 /nfs/dbraw/zinc/50/72/54/787507254.db2.gz NKOGPIKJWKVUJA-GHMZBOCLSA-N 1 0 334.442 -1.925 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1)[NH2+]CC(N)=O ZINC001146314649 787506849 /nfs/dbraw/zinc/50/68/49/787506849.db2.gz NKOGPIKJWKVUJA-MNOVXSKESA-N 1 0 334.442 -1.925 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314650 787506869 /nfs/dbraw/zinc/50/68/69/787506869.db2.gz NKOGPIKJWKVUJA-QWRGUYRKSA-N 1 0 334.442 -1.925 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314652 787507226 /nfs/dbraw/zinc/50/72/26/787507226.db2.gz NKOGPIKJWKVUJA-WDEREUQCSA-N 1 0 334.442 -1.925 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146315052 787507159 /nfs/dbraw/zinc/50/71/59/787507159.db2.gz PFOXRBYKBXYWQE-CHWSQXEVSA-N 1 0 335.470 -1.028 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1)[NH2+]CCCO ZINC001146315054 787507677 /nfs/dbraw/zinc/50/76/77/787507677.db2.gz PFOXRBYKBXYWQE-OLZOCXBDSA-N 1 0 335.470 -1.028 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146315055 787507243 /nfs/dbraw/zinc/50/72/43/787507243.db2.gz PFOXRBYKBXYWQE-QWHCGFSZSA-N 1 0 335.470 -1.028 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146315056 787508492 /nfs/dbraw/zinc/50/84/92/787508492.db2.gz PFOXRBYKBXYWQE-STQMWFEESA-N 1 0 335.470 -1.028 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146315608 787509359 /nfs/dbraw/zinc/50/93/59/787509359.db2.gz UNULHVNFDUYLOB-GHMZBOCLSA-N 1 0 342.396 -1.019 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]CCOCCO ZINC001146315609 787508569 /nfs/dbraw/zinc/50/85/69/787508569.db2.gz UNULHVNFDUYLOB-MNOVXSKESA-N 1 0 342.396 -1.019 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146315610 787508715 /nfs/dbraw/zinc/50/87/15/787508715.db2.gz UNULHVNFDUYLOB-QWRGUYRKSA-N 1 0 342.396 -1.019 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146315611 787509350 /nfs/dbraw/zinc/50/93/50/787509350.db2.gz UNULHVNFDUYLOB-WDEREUQCSA-N 1 0 342.396 -1.019 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001146341495 787508591 /nfs/dbraw/zinc/50/85/91/787508591.db2.gz YZUSFTLPVVIZRA-HTQZYQBOSA-N 1 0 338.368 -1.205 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001146341498 787508410 /nfs/dbraw/zinc/50/84/10/787508410.db2.gz YZUSFTLPVVIZRA-JGVFFNPUSA-N 1 0 338.368 -1.205 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1)[NH2+]CC(=O)NC(N)=O ZINC001146341499 787508438 /nfs/dbraw/zinc/50/84/38/787508438.db2.gz YZUSFTLPVVIZRA-SFYZADRCSA-N 1 0 338.368 -1.205 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001146341502 787509322 /nfs/dbraw/zinc/50/93/22/787509322.db2.gz YZUSFTLPVVIZRA-YUMQZZPRSA-N 1 0 338.368 -1.205 20 0 EAADRO CC(C)(C)OC(=O)NCCNC(=O)/C=C/C(=O)NCC[NH2+]CCO ZINC001146365254 787509395 /nfs/dbraw/zinc/50/93/95/787509395.db2.gz ODTZIWOTTCCLHG-SNAWJCMRSA-N 1 0 344.412 -1.118 20 0 EAADRO COc1cccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001146377258 787508875 /nfs/dbraw/zinc/50/88/75/787508875.db2.gz ZABXTOYVCXSEGA-UHFFFAOYSA-N 1 0 335.364 -1.632 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cnoc1C1CC1)N1CCNC(=O)C1 ZINC001146415932 787509263 /nfs/dbraw/zinc/50/92/63/787509263.db2.gz LOBJMBZENPWPQM-UHFFFAOYSA-N 1 0 335.364 -1.170 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001146428733 787510453 /nfs/dbraw/zinc/51/04/53/787510453.db2.gz AFXRYWKAAYQVAM-GHMZBOCLSA-N 1 0 349.457 -1.566 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001146428734 787510613 /nfs/dbraw/zinc/51/06/13/787510613.db2.gz AFXRYWKAAYQVAM-MNOVXSKESA-N 1 0 349.457 -1.566 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1CCNC1=O ZINC001146428735 787510258 /nfs/dbraw/zinc/51/02/58/787510258.db2.gz AFXRYWKAAYQVAM-QWRGUYRKSA-N 1 0 349.457 -1.566 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1CCNC1=O ZINC001146428736 787510561 /nfs/dbraw/zinc/51/05/61/787510561.db2.gz AFXRYWKAAYQVAM-WDEREUQCSA-N 1 0 349.457 -1.566 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001146430853 787510636 /nfs/dbraw/zinc/51/06/36/787510636.db2.gz LSVGXWHOYGGTGB-NXEZZACHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001146430854 787510373 /nfs/dbraw/zinc/51/03/73/787510373.db2.gz LSVGXWHOYGGTGB-UWVGGRQHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001146430855 787510136 /nfs/dbraw/zinc/51/01/36/787510136.db2.gz LSVGXWHOYGGTGB-VHSXEESVSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001146430856 787509997 /nfs/dbraw/zinc/50/99/97/787509997.db2.gz LSVGXWHOYGGTGB-ZJUUUORDSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001146431385 787510752 /nfs/dbraw/zinc/51/07/52/787510752.db2.gz OXDHTOFIIREWNF-GHMZBOCLSA-N 1 0 325.431 -1.583 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001146431386 787510102 /nfs/dbraw/zinc/51/01/02/787510102.db2.gz OXDHTOFIIREWNF-MNOVXSKESA-N 1 0 325.431 -1.583 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001146431387 787510850 /nfs/dbraw/zinc/51/08/50/787510850.db2.gz OXDHTOFIIREWNF-QWRGUYRKSA-N 1 0 325.431 -1.583 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001146431388 787510513 /nfs/dbraw/zinc/51/05/13/787510513.db2.gz OXDHTOFIIREWNF-WDEREUQCSA-N 1 0 325.431 -1.583 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001146431877 787510743 /nfs/dbraw/zinc/51/07/43/787510743.db2.gz QQFIIODZQNPDAT-GHMZBOCLSA-N 1 0 332.430 -1.300 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001146431878 787510780 /nfs/dbraw/zinc/51/07/80/787510780.db2.gz QQFIIODZQNPDAT-MNOVXSKESA-N 1 0 332.430 -1.300 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001146431879 787510845 /nfs/dbraw/zinc/51/08/45/787510845.db2.gz QQFIIODZQNPDAT-QWRGUYRKSA-N 1 0 332.430 -1.300 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001146431880 787510355 /nfs/dbraw/zinc/51/03/55/787510355.db2.gz QQFIIODZQNPDAT-WDEREUQCSA-N 1 0 332.430 -1.300 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001146431885 787510295 /nfs/dbraw/zinc/51/02/95/787510295.db2.gz QSEVZNHLTZUBNO-GHMZBOCLSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001146431886 787510368 /nfs/dbraw/zinc/51/03/68/787510368.db2.gz QSEVZNHLTZUBNO-MNOVXSKESA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001146431887 787510829 /nfs/dbraw/zinc/51/08/29/787510829.db2.gz QSEVZNHLTZUBNO-QWRGUYRKSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001146431888 787509974 /nfs/dbraw/zinc/50/99/74/787509974.db2.gz QSEVZNHLTZUBNO-WDEREUQCSA-N 1 0 348.469 -1.065 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146432726 787509958 /nfs/dbraw/zinc/50/99/58/787509958.db2.gz WHJRUTXRLMTBPL-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146432727 787510592 /nfs/dbraw/zinc/51/05/92/787510592.db2.gz WHJRUTXRLMTBPL-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146432729 787509778 /nfs/dbraw/zinc/50/97/78/787509778.db2.gz WHJRUTXRLMTBPL-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146432730 787510350 /nfs/dbraw/zinc/51/03/50/787510350.db2.gz WHJRUTXRLMTBPL-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146432951 787510066 /nfs/dbraw/zinc/51/00/66/787510066.db2.gz ZNAVGTNQYSFQOA-HTQZYQBOSA-N 1 0 337.402 -2.397 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146432952 787509843 /nfs/dbraw/zinc/50/98/43/787509843.db2.gz ZNAVGTNQYSFQOA-JGVFFNPUSA-N 1 0 337.402 -2.397 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146432953 787510245 /nfs/dbraw/zinc/51/02/45/787510245.db2.gz ZNAVGTNQYSFQOA-SFYZADRCSA-N 1 0 337.402 -2.397 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146432954 787510473 /nfs/dbraw/zinc/51/04/73/787510473.db2.gz ZNAVGTNQYSFQOA-YUMQZZPRSA-N 1 0 337.402 -2.397 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1c[nH]nc1C1CC1)N1CCNC(=O)C1 ZINC001146438023 787509655 /nfs/dbraw/zinc/50/96/55/787509655.db2.gz VUPKCDUTHDICQV-UHFFFAOYSA-N 1 0 334.380 -1.435 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCNC(=O)c1cnccn1 ZINC001146452160 787510328 /nfs/dbraw/zinc/51/03/28/787510328.db2.gz UBERDFDBYDVQFT-GHMZBOCLSA-N 1 0 336.396 -1.045 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CCNC(=O)c1cnccn1)[NH2+]CC(N)=O ZINC001146452162 787509892 /nfs/dbraw/zinc/50/98/92/787509892.db2.gz UBERDFDBYDVQFT-MNOVXSKESA-N 1 0 336.396 -1.045 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCNC(=O)c1cnccn1 ZINC001146452164 787510361 /nfs/dbraw/zinc/51/03/61/787510361.db2.gz UBERDFDBYDVQFT-QWRGUYRKSA-N 1 0 336.396 -1.045 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCNC(=O)c1cnccn1 ZINC001146452167 787510413 /nfs/dbraw/zinc/51/04/13/787510413.db2.gz UBERDFDBYDVQFT-WDEREUQCSA-N 1 0 336.396 -1.045 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146452212 787510628 /nfs/dbraw/zinc/51/06/28/787510628.db2.gz UKURSRQNPBBBPY-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146452213 787510420 /nfs/dbraw/zinc/51/04/20/787510420.db2.gz UKURSRQNPBBBPY-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146452214 787510619 /nfs/dbraw/zinc/51/06/19/787510619.db2.gz UKURSRQNPBBBPY-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146452215 787510541 /nfs/dbraw/zinc/51/05/41/787510541.db2.gz UKURSRQNPBBBPY-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146460598 787510305 /nfs/dbraw/zinc/51/03/05/787510305.db2.gz CJOCETPFGGPVRX-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146460599 787510339 /nfs/dbraw/zinc/51/03/39/787510339.db2.gz CJOCETPFGGPVRX-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146460600 787510175 /nfs/dbraw/zinc/51/01/75/787510175.db2.gz CJOCETPFGGPVRX-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146460601 787510022 /nfs/dbraw/zinc/51/00/22/787510022.db2.gz CJOCETPFGGPVRX-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001146461366 787509345 /nfs/dbraw/zinc/50/93/45/787509345.db2.gz FLDBMSVBKXTLCV-NXEZZACHSA-N 1 0 343.471 -1.547 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001146461367 787508581 /nfs/dbraw/zinc/50/85/81/787508581.db2.gz FLDBMSVBKXTLCV-UWVGGRQHSA-N 1 0 343.471 -1.547 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001146461368 787508628 /nfs/dbraw/zinc/50/86/28/787508628.db2.gz FLDBMSVBKXTLCV-VHSXEESVSA-N 1 0 343.471 -1.547 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001146461369 787509213 /nfs/dbraw/zinc/50/92/13/787509213.db2.gz FLDBMSVBKXTLCV-ZJUUUORDSA-N 1 0 343.471 -1.547 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001146461748 787508339 /nfs/dbraw/zinc/50/83/39/787508339.db2.gz GMYMMJXXTZDALF-BDAKNGLRSA-N 1 0 333.418 -1.868 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001146461750 787508118 /nfs/dbraw/zinc/50/81/18/787508118.db2.gz GMYMMJXXTZDALF-DTWKUNHWSA-N 1 0 333.418 -1.868 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001146461751 787508501 /nfs/dbraw/zinc/50/85/01/787508501.db2.gz GMYMMJXXTZDALF-IUCAKERBSA-N 1 0 333.418 -1.868 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001146461753 787508203 /nfs/dbraw/zinc/50/82/03/787508203.db2.gz GMYMMJXXTZDALF-RKDXNWHRSA-N 1 0 333.418 -1.868 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146461810 787509309 /nfs/dbraw/zinc/50/93/09/787509309.db2.gz HCVSCHRVYMWVCQ-NXEZZACHSA-N 1 0 334.442 -1.313 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146461811 787508169 /nfs/dbraw/zinc/50/81/69/787508169.db2.gz HCVSCHRVYMWVCQ-UWVGGRQHSA-N 1 0 334.442 -1.313 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146461812 787509338 /nfs/dbraw/zinc/50/93/38/787509338.db2.gz HCVSCHRVYMWVCQ-VHSXEESVSA-N 1 0 334.442 -1.313 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146461813 787508293 /nfs/dbraw/zinc/50/82/93/787508293.db2.gz HCVSCHRVYMWVCQ-ZJUUUORDSA-N 1 0 334.442 -1.313 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001146464887 787508326 /nfs/dbraw/zinc/50/83/26/787508326.db2.gz PDRBVYMLXZFUIO-GHMZBOCLSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001146464888 787508769 /nfs/dbraw/zinc/50/87/69/787508769.db2.gz PDRBVYMLXZFUIO-MNOVXSKESA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001146464890 787508685 /nfs/dbraw/zinc/50/86/85/787508685.db2.gz PDRBVYMLXZFUIO-QWRGUYRKSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001146464891 787508430 /nfs/dbraw/zinc/50/84/30/787508430.db2.gz PDRBVYMLXZFUIO-WDEREUQCSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001146466293 787509401 /nfs/dbraw/zinc/50/94/01/787509401.db2.gz UEZDDIDKDXPVFD-NXEZZACHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001146466294 787509190 /nfs/dbraw/zinc/50/91/90/787509190.db2.gz UEZDDIDKDXPVFD-UWVGGRQHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001146466295 787509132 /nfs/dbraw/zinc/50/91/32/787509132.db2.gz UEZDDIDKDXPVFD-VHSXEESVSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001146466296 787509336 /nfs/dbraw/zinc/50/93/36/787509336.db2.gz UEZDDIDKDXPVFD-ZJUUUORDSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001146466617 787508273 /nfs/dbraw/zinc/50/82/73/787508273.db2.gz VOKYVACCIBTWPC-GHMZBOCLSA-N 1 0 336.458 -1.067 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001146466618 787509169 /nfs/dbraw/zinc/50/91/69/787509169.db2.gz VOKYVACCIBTWPC-MNOVXSKESA-N 1 0 336.458 -1.067 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001146466619 787508677 /nfs/dbraw/zinc/50/86/77/787508677.db2.gz VOKYVACCIBTWPC-QWRGUYRKSA-N 1 0 336.458 -1.067 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001146466620 787508368 /nfs/dbraw/zinc/50/83/68/787508368.db2.gz VOKYVACCIBTWPC-WDEREUQCSA-N 1 0 336.458 -1.067 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146467316 787508655 /nfs/dbraw/zinc/50/86/55/787508655.db2.gz YJGKURNBBLPFJH-BDAKNGLRSA-N 1 0 348.429 -1.970 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146467317 787509005 /nfs/dbraw/zinc/50/90/05/787509005.db2.gz YJGKURNBBLPFJH-DTWKUNHWSA-N 1 0 348.429 -1.970 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146467318 787509192 /nfs/dbraw/zinc/50/91/92/787509192.db2.gz YJGKURNBBLPFJH-IUCAKERBSA-N 1 0 348.429 -1.970 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146467319 787508690 /nfs/dbraw/zinc/50/86/90/787508690.db2.gz YJGKURNBBLPFJH-RKDXNWHRSA-N 1 0 348.429 -1.970 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ncnn1C ZINC001146467389 787509080 /nfs/dbraw/zinc/50/90/80/787509080.db2.gz ZDZUKXVJZLKVAR-NXEZZACHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ncnn1C ZINC001146467390 787508393 /nfs/dbraw/zinc/50/83/93/787508393.db2.gz ZDZUKXVJZLKVAR-UWVGGRQHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ncnn1C ZINC001146467392 787508990 /nfs/dbraw/zinc/50/89/90/787508990.db2.gz ZDZUKXVJZLKVAR-VHSXEESVSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ncnn1C ZINC001146467393 787508730 /nfs/dbraw/zinc/50/87/30/787508730.db2.gz ZDZUKXVJZLKVAR-ZJUUUORDSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nncn1C ZINC001146467415 787509180 /nfs/dbraw/zinc/50/91/80/787509180.db2.gz ZKKKTTUETCDJOO-NXEZZACHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nncn1C ZINC001146467417 787509120 /nfs/dbraw/zinc/50/91/20/787509120.db2.gz ZKKKTTUETCDJOO-UWVGGRQHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nncn1C ZINC001146467418 787509363 /nfs/dbraw/zinc/50/93/63/787509363.db2.gz ZKKKTTUETCDJOO-VHSXEESVSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nncn1C ZINC001146467420 787509408 /nfs/dbraw/zinc/50/94/08/787509408.db2.gz ZKKKTTUETCDJOO-ZJUUUORDSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001146467427 787508251 /nfs/dbraw/zinc/50/82/51/787508251.db2.gz ZROWAASWDCFTGW-NXEZZACHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001146467428 787508353 /nfs/dbraw/zinc/50/83/53/787508353.db2.gz ZROWAASWDCFTGW-UWVGGRQHSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001146467429 787510215 /nfs/dbraw/zinc/51/02/15/787510215.db2.gz ZROWAASWDCFTGW-VHSXEESVSA-N 1 0 332.430 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001146467430 787510300 /nfs/dbraw/zinc/51/03/00/787510300.db2.gz ZROWAASWDCFTGW-ZJUUUORDSA-N 1 0 332.430 -1.263 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2oncc2C)CC1 ZINC001146489533 787510400 /nfs/dbraw/zinc/51/04/00/787510400.db2.gz PPMKLNQJUOATDH-UHFFFAOYSA-N 1 0 337.380 -1.007 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)cn1 ZINC001146500514 787510076 /nfs/dbraw/zinc/51/00/76/787510076.db2.gz GSFXPMCNTCEHIG-UHFFFAOYSA-N 1 0 336.352 -1.207 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)cn1 ZINC001146500520 787510439 /nfs/dbraw/zinc/51/04/39/787510439.db2.gz GWFDQPCHVBGRET-UHFFFAOYSA-N 1 0 343.409 -1.160 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146500542 787509921 /nfs/dbraw/zinc/50/99/21/787509921.db2.gz HOYZJPUAAZQSOA-UHFFFAOYSA-N 1 0 325.369 -1.043 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001146500734 787509857 /nfs/dbraw/zinc/50/98/57/787509857.db2.gz QAHWOQICPWAXMP-UHFFFAOYSA-N 1 0 336.352 -2.237 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)cn1 ZINC001146500739 787510204 /nfs/dbraw/zinc/51/02/04/787510204.db2.gz QLRKUVBOTVTXFO-UHFFFAOYSA-N 1 0 331.398 -1.304 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)cn1 ZINC001146500804 787509825 /nfs/dbraw/zinc/50/98/25/787509825.db2.gz TWVKOCCCKRZWOH-LBPRGKRZSA-N 1 0 337.380 -1.212 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146508734 787510459 /nfs/dbraw/zinc/51/04/59/787510459.db2.gz CHNTZFPQUGNOLZ-UHFFFAOYSA-N 1 0 331.398 -1.256 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CCOCCNC(C)=O)cn1 ZINC001146508826 787510581 /nfs/dbraw/zinc/51/05/81/787510581.db2.gz HKSODRKEJYLTRF-UHFFFAOYSA-N 1 0 325.369 -1.043 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)cn1 ZINC001146508965 787510528 /nfs/dbraw/zinc/51/05/28/787510528.db2.gz JLYLACMCTBSIBI-LLVKDONJSA-N 1 0 337.380 -1.043 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)cn1 ZINC001146508966 787510276 /nfs/dbraw/zinc/51/02/76/787510276.db2.gz JLYLACMCTBSIBI-NSHDSACASA-N 1 0 337.380 -1.043 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)cn1 ZINC001146509062 787510334 /nfs/dbraw/zinc/51/03/34/787510334.db2.gz MUEGTQIUYKJNOB-UHFFFAOYSA-N 1 0 336.352 -1.254 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(-n2ccnc2)ccn1 ZINC001146509071 787510684 /nfs/dbraw/zinc/51/06/84/787510684.db2.gz NLDPJQAUTBBZGM-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146509323 787510037 /nfs/dbraw/zinc/51/00/37/787510037.db2.gz PALYPZGTUUVGGR-GFCCVEGCSA-N 1 0 328.369 -1.172 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146509324 787510310 /nfs/dbraw/zinc/51/03/10/787510310.db2.gz PALYPZGTUUVGGR-LBPRGKRZSA-N 1 0 328.369 -1.172 20 0 EAADRO COc1ncc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC001146520382 787510152 /nfs/dbraw/zinc/51/01/52/787510152.db2.gz VULYGVBEUXGFTL-UHFFFAOYSA-N 1 0 348.363 -1.598 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c[nH]1 ZINC001146528363 787510759 /nfs/dbraw/zinc/51/07/59/787510759.db2.gz KTNPXVPQIAKMGY-UHFFFAOYSA-N 1 0 335.364 -2.039 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)c[nH]1 ZINC001146528765 787510822 /nfs/dbraw/zinc/51/08/22/787510822.db2.gz QQFHKIRJGCBDKC-UHFFFAOYSA-N 1 0 330.410 -1.106 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)c[nH]1 ZINC001146529182 787510665 /nfs/dbraw/zinc/51/06/65/787510665.db2.gz VMRIKVKUYTYAQE-UHFFFAOYSA-N 1 0 335.364 -1.009 20 0 EAADRO Cc1cnoc1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001146534521 787510568 /nfs/dbraw/zinc/51/05/68/787510568.db2.gz HHYTURSPMRHAGP-JTQLQIEISA-N 1 0 325.369 -1.105 20 0 EAADRO Cc1cnoc1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001146534532 787510227 /nfs/dbraw/zinc/51/02/27/787510227.db2.gz HHYTURSPMRHAGP-SNVBAGLBSA-N 1 0 325.369 -1.105 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c[nH]1 ZINC001146541893 787510316 /nfs/dbraw/zinc/51/03/16/787510316.db2.gz ASUXPLXHTLRPRL-UHFFFAOYSA-N 1 0 347.375 -1.400 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146541925 787509743 /nfs/dbraw/zinc/50/97/43/787509743.db2.gz BPHZFEVDLLZMSK-UHFFFAOYSA-N 1 0 325.369 -1.043 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001146547773 787510239 /nfs/dbraw/zinc/51/02/39/787510239.db2.gz PZIICQKJGUNZJO-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001146547774 787509946 /nfs/dbraw/zinc/50/99/46/787509946.db2.gz PZIICQKJGUNZJO-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001146547775 787510488 /nfs/dbraw/zinc/51/04/88/787510488.db2.gz PZIICQKJGUNZJO-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001146547776 787510705 /nfs/dbraw/zinc/51/07/05/787510705.db2.gz PZIICQKJGUNZJO-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146547914 787509880 /nfs/dbraw/zinc/50/98/80/787509880.db2.gz QKZSAOOSYFKZEY-BDAKNGLRSA-N 1 0 344.416 -1.238 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146547916 787509993 /nfs/dbraw/zinc/50/99/93/787509993.db2.gz QKZSAOOSYFKZEY-DTWKUNHWSA-N 1 0 344.416 -1.238 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146547918 787510505 /nfs/dbraw/zinc/51/05/05/787510505.db2.gz QKZSAOOSYFKZEY-IUCAKERBSA-N 1 0 344.416 -1.238 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146547919 787509689 /nfs/dbraw/zinc/50/96/89/787509689.db2.gz QKZSAOOSYFKZEY-RKDXNWHRSA-N 1 0 344.416 -1.238 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)c[nH]1 ZINC001146549514 787510116 /nfs/dbraw/zinc/51/01/16/787510116.db2.gz GDNXTJXGLYGSMX-UHFFFAOYSA-N 1 0 335.364 -1.055 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1c[nH]c(C)cc1=O ZINC001146549548 787510598 /nfs/dbraw/zinc/51/05/98/787510598.db2.gz HPJXSRQEHOWEFR-UHFFFAOYSA-N 1 0 330.410 -1.058 20 0 EAADRO Cc1cc(=O)c(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)c[nH]1 ZINC001146549821 787510495 /nfs/dbraw/zinc/51/04/95/787510495.db2.gz KMNZBTKGFZCWKE-LBPRGKRZSA-N 1 0 336.392 -1.014 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(=O)Cn1cncn1)[NH2+]CCCO ZINC001146560646 787512011 /nfs/dbraw/zinc/51/20/11/787512011.db2.gz CGWJCDGECOCLOE-NEPJUHHUSA-N 1 0 326.401 -1.350 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CNC(=O)Cn1cncn1 ZINC001146560649 787511364 /nfs/dbraw/zinc/51/13/64/787511364.db2.gz CGWJCDGECOCLOE-NWDGAFQWSA-N 1 0 326.401 -1.350 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CNC(=O)Cn1cncn1 ZINC001146560650 787511573 /nfs/dbraw/zinc/51/15/73/787511573.db2.gz CGWJCDGECOCLOE-RYUDHWBXSA-N 1 0 326.401 -1.350 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CNC(=O)Cn1cncn1 ZINC001146560652 787511156 /nfs/dbraw/zinc/51/11/56/787511156.db2.gz CGWJCDGECOCLOE-VXGBXAGGSA-N 1 0 326.401 -1.350 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CCC1 ZINC001146561334 787511734 /nfs/dbraw/zinc/51/17/34/787511734.db2.gz HGVFWLXOLGLOLF-NXEZZACHSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CCC1 ZINC001146561335 787511230 /nfs/dbraw/zinc/51/12/30/787511230.db2.gz HGVFWLXOLGLOLF-UWVGGRQHSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CCC1 ZINC001146561336 787511583 /nfs/dbraw/zinc/51/15/83/787511583.db2.gz HGVFWLXOLGLOLF-VHSXEESVSA-N 1 0 341.412 -1.030 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001146561337 787511794 /nfs/dbraw/zinc/51/17/94/787511794.db2.gz HGVFWLXOLGLOLF-ZJUUUORDSA-N 1 0 341.412 -1.030 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146562890 787511068 /nfs/dbraw/zinc/51/10/68/787511068.db2.gz RRLPNSCXNJPYTF-GHMZBOCLSA-N 1 0 339.400 -1.987 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146562893 787512128 /nfs/dbraw/zinc/51/21/28/787512128.db2.gz RRLPNSCXNJPYTF-MNOVXSKESA-N 1 0 339.400 -1.987 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146562895 787511681 /nfs/dbraw/zinc/51/16/81/787511681.db2.gz RRLPNSCXNJPYTF-QWRGUYRKSA-N 1 0 339.400 -1.987 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146562896 787511688 /nfs/dbraw/zinc/51/16/88/787511688.db2.gz RRLPNSCXNJPYTF-WDEREUQCSA-N 1 0 339.400 -1.987 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CNC(=O)Cn1cncn1 ZINC001146563394 787512063 /nfs/dbraw/zinc/51/20/63/787512063.db2.gz VMLVAMRIVGUMMN-NXEZZACHSA-N 1 0 325.373 -2.248 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CNC(=O)Cn1cncn1 ZINC001146563395 787511800 /nfs/dbraw/zinc/51/18/00/787511800.db2.gz VMLVAMRIVGUMMN-UWVGGRQHSA-N 1 0 325.373 -2.248 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CNC(=O)Cn1cncn1 ZINC001146563396 787511375 /nfs/dbraw/zinc/51/13/75/787511375.db2.gz VMLVAMRIVGUMMN-VHSXEESVSA-N 1 0 325.373 -2.248 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)CNC(=O)Cn1cncn1)[NH2+]CC(N)=O ZINC001146563397 787512004 /nfs/dbraw/zinc/51/20/04/787512004.db2.gz VMLVAMRIVGUMMN-ZJUUUORDSA-N 1 0 325.373 -2.248 20 0 EAADRO COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146563398 787511984 /nfs/dbraw/zinc/51/19/84/787511984.db2.gz VNLLVDMRMNFBPW-NEPJUHHUSA-N 1 0 326.401 -1.086 20 0 EAADRO COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146563399 787511338 /nfs/dbraw/zinc/51/13/38/787511338.db2.gz VNLLVDMRMNFBPW-NWDGAFQWSA-N 1 0 326.401 -1.086 20 0 EAADRO COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146563400 787511752 /nfs/dbraw/zinc/51/17/52/787511752.db2.gz VNLLVDMRMNFBPW-RYUDHWBXSA-N 1 0 326.401 -1.086 20 0 EAADRO COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146563401 787511563 /nfs/dbraw/zinc/51/15/63/787511563.db2.gz VNLLVDMRMNFBPW-VXGBXAGGSA-N 1 0 326.401 -1.086 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001146578825 787511037 /nfs/dbraw/zinc/51/10/37/787511037.db2.gz SQHWKVVCOGXKQW-UHFFFAOYSA-N 1 0 331.336 -1.014 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001146580920 787511444 /nfs/dbraw/zinc/51/14/44/787511444.db2.gz BDZSEEKNUFZNNW-GHMZBOCLSA-N 1 0 326.401 -1.155 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1)[NH2+]CCO ZINC001146580922 787511845 /nfs/dbraw/zinc/51/18/45/787511845.db2.gz BDZSEEKNUFZNNW-MNOVXSKESA-N 1 0 326.401 -1.155 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001146580923 787511964 /nfs/dbraw/zinc/51/19/64/787511964.db2.gz BDZSEEKNUFZNNW-QWRGUYRKSA-N 1 0 326.401 -1.155 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001146580925 787511180 /nfs/dbraw/zinc/51/11/80/787511180.db2.gz BDZSEEKNUFZNNW-WDEREUQCSA-N 1 0 326.401 -1.155 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582178 787511145 /nfs/dbraw/zinc/51/11/45/787511145.db2.gz FKHXESICKWGAIK-BDAKNGLRSA-N 1 0 325.373 -2.004 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582180 787511173 /nfs/dbraw/zinc/51/11/73/787511173.db2.gz FKHXESICKWGAIK-DTWKUNHWSA-N 1 0 325.373 -2.004 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582181 787511989 /nfs/dbraw/zinc/51/19/89/787511989.db2.gz FKHXESICKWGAIK-IUCAKERBSA-N 1 0 325.373 -2.004 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582182 787511924 /nfs/dbraw/zinc/51/19/24/787511924.db2.gz FKHXESICKWGAIK-RKDXNWHRSA-N 1 0 325.373 -2.004 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001146582309 787511527 /nfs/dbraw/zinc/51/15/27/787511527.db2.gz GHXZSCPPCBYTOK-BDAKNGLRSA-N 1 0 349.399 -1.123 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001146582310 787512050 /nfs/dbraw/zinc/51/20/50/787512050.db2.gz GHXZSCPPCBYTOK-DTWKUNHWSA-N 1 0 349.399 -1.123 20 0 EAADRO Cc1nnc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001146582311 787511992 /nfs/dbraw/zinc/51/19/92/787511992.db2.gz GHXZSCPPCBYTOK-IUCAKERBSA-N 1 0 349.399 -1.123 20 0 EAADRO Cc1nnc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001146582312 787511293 /nfs/dbraw/zinc/51/12/93/787511293.db2.gz GHXZSCPPCBYTOK-RKDXNWHRSA-N 1 0 349.399 -1.123 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583035 787511741 /nfs/dbraw/zinc/51/17/41/787511741.db2.gz ITZHQDSRTSIECX-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583039 787511886 /nfs/dbraw/zinc/51/18/86/787511886.db2.gz ITZHQDSRTSIECX-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583041 787511702 /nfs/dbraw/zinc/51/17/02/787511702.db2.gz ITZHQDSRTSIECX-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cnn(C)n1 ZINC001146583042 787511597 /nfs/dbraw/zinc/51/15/97/787511597.db2.gz ITZHQDSRTSIECX-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1ncnn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583085 787511809 /nfs/dbraw/zinc/51/18/09/787511809.db2.gz JCCSIPOFRXLBGG-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583087 787512076 /nfs/dbraw/zinc/51/20/76/787512076.db2.gz JCCSIPOFRXLBGG-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583089 787511398 /nfs/dbraw/zinc/51/13/98/787511398.db2.gz JCCSIPOFRXLBGG-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ncnn1C ZINC001146583090 787511662 /nfs/dbraw/zinc/51/16/62/787511662.db2.gz JCCSIPOFRXLBGG-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cnon1 ZINC001146583672 787512018 /nfs/dbraw/zinc/51/20/18/787512018.db2.gz NKXRINDTSJAOAZ-BDAKNGLRSA-N 1 0 336.356 -1.167 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnon1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583673 787511320 /nfs/dbraw/zinc/51/13/20/787511320.db2.gz NKXRINDTSJAOAZ-DTWKUNHWSA-N 1 0 336.356 -1.167 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnon1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583674 787511856 /nfs/dbraw/zinc/51/18/56/787511856.db2.gz NKXRINDTSJAOAZ-IUCAKERBSA-N 1 0 336.356 -1.167 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnon1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583675 787511502 /nfs/dbraw/zinc/51/15/02/787511502.db2.gz NKXRINDTSJAOAZ-RKDXNWHRSA-N 1 0 336.356 -1.167 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583948 787510182 /nfs/dbraw/zinc/51/01/82/787510182.db2.gz QIGCLBHWDNOXSN-NXEZZACHSA-N 1 0 339.400 -1.614 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583949 787510831 /nfs/dbraw/zinc/51/08/31/787510831.db2.gz QIGCLBHWDNOXSN-UWVGGRQHSA-N 1 0 339.400 -1.614 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583950 787510814 /nfs/dbraw/zinc/51/08/14/787510814.db2.gz QIGCLBHWDNOXSN-VHSXEESVSA-N 1 0 339.400 -1.614 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583951 787510251 /nfs/dbraw/zinc/51/02/51/787510251.db2.gz QIGCLBHWDNOXSN-ZJUUUORDSA-N 1 0 339.400 -1.614 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001146584196 787510550 /nfs/dbraw/zinc/51/05/50/787510550.db2.gz RCMACMQGPRELFX-NXEZZACHSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001146584197 787511455 /nfs/dbraw/zinc/51/14/55/787511455.db2.gz RCMACMQGPRELFX-UWVGGRQHSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001146584198 787511722 /nfs/dbraw/zinc/51/17/22/787511722.db2.gz RCMACMQGPRELFX-VHSXEESVSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1)[NH2+]CC(N)=O ZINC001146584199 787511774 /nfs/dbraw/zinc/51/17/74/787511774.db2.gz RCMACMQGPRELFX-ZJUUUORDSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584232 787511832 /nfs/dbraw/zinc/51/18/32/787511832.db2.gz RNXVEKZFWRTMJP-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584233 787511866 /nfs/dbraw/zinc/51/18/66/787511866.db2.gz RNXVEKZFWRTMJP-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584234 787511949 /nfs/dbraw/zinc/51/19/49/787511949.db2.gz RNXVEKZFWRTMJP-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cn(C)nn1 ZINC001146584235 787512033 /nfs/dbraw/zinc/51/20/33/787512033.db2.gz RNXVEKZFWRTMJP-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584236 787511850 /nfs/dbraw/zinc/51/18/50/787511850.db2.gz RPZXTRSNQVQFIF-GHMZBOCLSA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]CCOCCO ZINC001146584237 787511306 /nfs/dbraw/zinc/51/13/06/787511306.db2.gz RPZXTRSNQVQFIF-MNOVXSKESA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584238 787511638 /nfs/dbraw/zinc/51/16/38/787511638.db2.gz RPZXTRSNQVQFIF-QWRGUYRKSA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584239 787511786 /nfs/dbraw/zinc/51/17/86/787511786.db2.gz RPZXTRSNQVQFIF-WDEREUQCSA-N 1 0 342.400 -1.741 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584500 787512095 /nfs/dbraw/zinc/51/20/95/787512095.db2.gz SVYKXTGPPWAYEL-NXEZZACHSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584501 787512045 /nfs/dbraw/zinc/51/20/45/787512045.db2.gz SVYKXTGPPWAYEL-UWVGGRQHSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584502 787511386 /nfs/dbraw/zinc/51/13/86/787511386.db2.gz SVYKXTGPPWAYEL-VHSXEESVSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]CC(=O)N(C)C ZINC001146584503 787511240 /nfs/dbraw/zinc/51/12/40/787511240.db2.gz SVYKXTGPPWAYEL-ZJUUUORDSA-N 1 0 339.400 -1.662 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584520 787511973 /nfs/dbraw/zinc/51/19/73/787511973.db2.gz TUUHXUQRZGSLEX-NXEZZACHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584521 787512099 /nfs/dbraw/zinc/51/20/99/787512099.db2.gz TUUHXUQRZGSLEX-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584522 787512028 /nfs/dbraw/zinc/51/20/28/787512028.db2.gz TUUHXUQRZGSLEX-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cnnn1C ZINC001146584523 787512136 /nfs/dbraw/zinc/51/21/36/787512136.db2.gz TUUHXUQRZGSLEX-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146585528 787511113 /nfs/dbraw/zinc/51/11/13/787511113.db2.gz ZOWDLMACTWLWLP-GHMZBOCLSA-N 1 0 349.399 -1.458 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]CCn1cncn1 ZINC001146585529 787512087 /nfs/dbraw/zinc/51/20/87/787512087.db2.gz ZOWDLMACTWLWLP-MNOVXSKESA-N 1 0 349.399 -1.458 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146585530 787511900 /nfs/dbraw/zinc/51/19/00/787511900.db2.gz ZOWDLMACTWLWLP-QWRGUYRKSA-N 1 0 349.399 -1.458 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146585531 787512069 /nfs/dbraw/zinc/51/20/69/787512069.db2.gz ZOWDLMACTWLWLP-WDEREUQCSA-N 1 0 349.399 -1.458 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146592779 787513361 /nfs/dbraw/zinc/51/33/61/787513361.db2.gz LJHQCWLDEQZZNP-NXEZZACHSA-N 1 0 347.441 -1.084 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146592780 787513254 /nfs/dbraw/zinc/51/32/54/787513254.db2.gz LJHQCWLDEQZZNP-UWVGGRQHSA-N 1 0 347.441 -1.084 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146592781 787512843 /nfs/dbraw/zinc/51/28/43/787512843.db2.gz LJHQCWLDEQZZNP-VHSXEESVSA-N 1 0 347.441 -1.084 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146592782 787512813 /nfs/dbraw/zinc/51/28/13/787512813.db2.gz LJHQCWLDEQZZNP-ZJUUUORDSA-N 1 0 347.441 -1.084 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146594887 787513130 /nfs/dbraw/zinc/51/31/30/787513130.db2.gz VXQAYIKBVIGLKW-BDAKNGLRSA-N 1 0 336.414 -1.511 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146594888 787513691 /nfs/dbraw/zinc/51/36/91/787513691.db2.gz VXQAYIKBVIGLKW-DTWKUNHWSA-N 1 0 336.414 -1.511 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146594889 787513116 /nfs/dbraw/zinc/51/31/16/787513116.db2.gz VXQAYIKBVIGLKW-IUCAKERBSA-N 1 0 336.414 -1.511 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146594891 787513056 /nfs/dbraw/zinc/51/30/56/787513056.db2.gz VXQAYIKBVIGLKW-RKDXNWHRSA-N 1 0 336.414 -1.511 20 0 EAADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146617734 787513652 /nfs/dbraw/zinc/51/36/52/787513652.db2.gz DERNRTXBUCHCOO-UYJHQMFVSA-N 1 0 339.436 -1.364 20 0 EAADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001146621412 787512658 /nfs/dbraw/zinc/51/26/58/787512658.db2.gz OKJKFFJKSJKJSY-YIDVYQOGSA-N 1 0 338.404 -1.279 20 0 EAADRO Nc1cccnc1N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001146621901 787513409 /nfs/dbraw/zinc/51/34/09/787513409.db2.gz UBYRJJKRUREBTD-MGPQQGTHSA-N 1 0 334.376 -1.275 20 0 EAADRO N=c1sc2c(n1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC[C@H]([NH3+])C2 ZINC001146626981 787512448 /nfs/dbraw/zinc/51/24/48/787512448.db2.gz SNCRULLUJAUQNW-CKIYVRPFSA-N 1 0 325.390 -1.102 20 0 EAADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001146627629 787511768 /nfs/dbraw/zinc/51/17/68/787511768.db2.gz WOLJWSXUJJPVEW-GBJTYRQASA-N 1 0 326.393 -1.278 20 0 EAADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001146627630 787511135 /nfs/dbraw/zinc/51/11/35/787511135.db2.gz WOLJWSXUJJPVEW-KBUPBQIOSA-N 1 0 326.393 -1.278 20 0 EAADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)O1 ZINC001146628487 787511196 /nfs/dbraw/zinc/51/11/96/787511196.db2.gz HSMUMYHRHAEVGM-QTPLKFIXSA-N 1 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C[C@@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146636742 787514747 /nfs/dbraw/zinc/51/47/47/787514747.db2.gz PMEQINTZTQGKRP-UWVGGRQHSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146636743 787514957 /nfs/dbraw/zinc/51/49/57/787514957.db2.gz PMEQINTZTQGKRP-VHSXEESVSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1nncn1C ZINC001146636744 787514569 /nfs/dbraw/zinc/51/45/69/787514569.db2.gz PMEQINTZTQGKRP-ZJUUUORDSA-N 1 0 349.399 -1.421 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)n1C)[NH2+]CC(=O)NC(N)=O ZINC001146638787 787514584 /nfs/dbraw/zinc/51/45/84/787514584.db2.gz XIGNTFRZIIKTCY-BDAKNGLRSA-N 1 0 340.384 -1.595 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)n1C ZINC001146638788 787514080 /nfs/dbraw/zinc/51/40/80/787514080.db2.gz XIGNTFRZIIKTCY-DTWKUNHWSA-N 1 0 340.384 -1.595 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)n1C ZINC001146638789 787515140 /nfs/dbraw/zinc/51/51/40/787515140.db2.gz XIGNTFRZIIKTCY-IUCAKERBSA-N 1 0 340.384 -1.595 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cn(C)c(=O)n1C ZINC001146638790 787514476 /nfs/dbraw/zinc/51/44/76/787514476.db2.gz XIGNTFRZIIKTCY-RKDXNWHRSA-N 1 0 340.384 -1.595 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146655542 787512766 /nfs/dbraw/zinc/51/27/66/787512766.db2.gz LCKZCCTUNYJPFM-UHFFFAOYSA-N 1 0 330.385 -1.314 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001146660647 787513353 /nfs/dbraw/zinc/51/33/53/787513353.db2.gz BNVQOSCFZDPVEQ-JTQLQIEISA-N 1 0 349.395 -1.198 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001146660648 787513380 /nfs/dbraw/zinc/51/33/80/787513380.db2.gz BNVQOSCFZDPVEQ-SNVBAGLBSA-N 1 0 349.395 -1.198 20 0 EAADRO C[C@@H](NCCNC(=O)CN1C(=O)NC(=O)C1(C)C)c1nnnn1C ZINC001146660649 787513388 /nfs/dbraw/zinc/51/33/88/787513388.db2.gz BPWZMLGHAVQQQZ-MRVPVSSYSA-N 1 0 338.372 -1.693 20 0 EAADRO C[C@H](NCCNC(=O)CN1C(=O)NC(=O)C1(C)C)c1nnnn1C ZINC001146660650 787512990 /nfs/dbraw/zinc/51/29/90/787512990.db2.gz BPWZMLGHAVQQQZ-QMMMGPOBSA-N 1 0 338.372 -1.693 20 0 EAADRO Cn1ccc(C[NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)cc1=O ZINC001146660710 787512608 /nfs/dbraw/zinc/51/26/08/787512608.db2.gz FRBVBNIMQXXWQG-UHFFFAOYSA-N 1 0 349.391 -1.079 20 0 EAADRO Cn1cc(CC[NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)cn1 ZINC001146660724 787513735 /nfs/dbraw/zinc/51/37/35/787513735.db2.gz GJJLYIZIPMCJTA-UHFFFAOYSA-N 1 0 336.396 -1.001 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001146660734 787512597 /nfs/dbraw/zinc/51/25/97/787512597.db2.gz GRAPOLSVZCUOTJ-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001146660759 787515099 /nfs/dbraw/zinc/51/50/99/787515099.db2.gz HRUXVBXHZCDDBW-UHFFFAOYSA-N 1 0 349.413 -2.428 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660762 787514676 /nfs/dbraw/zinc/51/46/76/787514676.db2.gz 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CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001146660989 787514655 /nfs/dbraw/zinc/51/46/55/787514655.db2.gz NIBUXQNVQZMZOK-QMMMGPOBSA-N 1 0 339.352 -2.172 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)C1=O ZINC001146661156 787514729 /nfs/dbraw/zinc/51/47/29/787514729.db2.gz QBNMVEPTBJKRCL-JTQLQIEISA-N 1 0 339.396 -1.357 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)C1=O ZINC001146661157 787514396 /nfs/dbraw/zinc/51/43/96/787514396.db2.gz QBNMVEPTBJKRCL-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001146661186 787514592 /nfs/dbraw/zinc/51/45/92/787514592.db2.gz RWZIZWHKBLDUCM-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146661191 787514868 /nfs/dbraw/zinc/51/48/68/787514868.db2.gz SFZWPWXPRHQUMD-UHFFFAOYSA-N 1 0 327.385 -1.499 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146661201 787514519 /nfs/dbraw/zinc/51/45/19/787514519.db2.gz SWHHCAFOLVHLIF-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146661202 787514694 /nfs/dbraw/zinc/51/46/94/787514694.db2.gz SWHHCAFOLVHLIF-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001146661334 787514559 /nfs/dbraw/zinc/51/45/59/787514559.db2.gz UYYGEYKHTAWAOU-UHFFFAOYSA-N 1 0 325.369 -1.745 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146661337 787513921 /nfs/dbraw/zinc/51/39/21/787513921.db2.gz VAHZPCYLFHWYCB-UHFFFAOYSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)NC(N)=O ZINC001146661363 787514771 /nfs/dbraw/zinc/51/47/71/787514771.db2.gz WFALUNVZSGSKDQ-SSDOTTSWSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)NC(N)=O ZINC001146661364 787515010 /nfs/dbraw/zinc/51/50/10/787515010.db2.gz WFALUNVZSGSKDQ-ZETCQYMHSA-N 1 0 342.356 -2.394 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)N(C)C ZINC001146661371 787514318 /nfs/dbraw/zinc/51/43/18/787514318.db2.gz XAYXYRFUGTWYBQ-SECBINFHSA-N 1 0 327.385 -1.501 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)N(C)C ZINC001146661372 787514498 /nfs/dbraw/zinc/51/44/98/787514498.db2.gz XAYXYRFUGTWYBQ-VIFPVBQESA-N 1 0 327.385 -1.501 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001146661384 787514988 /nfs/dbraw/zinc/51/49/88/787514988.db2.gz XMWHKUQRKSTIEE-UHFFFAOYSA-N 1 0 348.425 -1.543 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001146661400 787514903 /nfs/dbraw/zinc/51/49/03/787514903.db2.gz YHCSYUUWIZAZBW-UHFFFAOYSA-N 1 0 339.396 -1.355 20 0 EAADRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001146663681 787514243 /nfs/dbraw/zinc/51/42/43/787514243.db2.gz NFSUGCSSTGCLGT-NXEZZACHSA-N 1 0 336.400 -1.066 20 0 EAADRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001146663682 787514092 /nfs/dbraw/zinc/51/40/92/787514092.db2.gz NFSUGCSSTGCLGT-UWVGGRQHSA-N 1 0 336.400 -1.066 20 0 EAADRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001146663683 787514110 /nfs/dbraw/zinc/51/41/10/787514110.db2.gz NFSUGCSSTGCLGT-VHSXEESVSA-N 1 0 336.400 -1.066 20 0 EAADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1nnnn1C ZINC001146663684 787514797 /nfs/dbraw/zinc/51/47/97/787514797.db2.gz NFSUGCSSTGCLGT-ZJUUUORDSA-N 1 0 336.400 -1.066 20 0 EAADRO COc1ccc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001146667940 787514820 /nfs/dbraw/zinc/51/48/20/787514820.db2.gz AIUHUFCRYFRFSA-UHFFFAOYSA-N 1 0 343.409 -1.160 20 0 EAADRO COc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001146667952 787514053 /nfs/dbraw/zinc/51/40/53/787514053.db2.gz AWNBUAQTXXRJDB-UHFFFAOYSA-N 1 0 336.352 -2.237 20 0 EAADRO COc1ccc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)nn1 ZINC001146667988 787514762 /nfs/dbraw/zinc/51/47/62/787514762.db2.gz CVTBWWZGEFJKPL-UHFFFAOYSA-N 1 0 331.398 -1.304 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146668009 787514739 /nfs/dbraw/zinc/51/47/39/787514739.db2.gz DNJGXHMNMMOQMW-UHFFFAOYSA-N 1 0 337.384 -1.166 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146668027 787514848 /nfs/dbraw/zinc/51/48/48/787514848.db2.gz FIOGJLYZSLBAAT-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146668029 787514788 /nfs/dbraw/zinc/51/47/88/787514788.db2.gz FIOGJLYZSLBAAT-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ccc(OC)nn1 ZINC001146668155 787514814 /nfs/dbraw/zinc/51/48/14/787514814.db2.gz HFFQVPOXAYRLTF-LLVKDONJSA-N 1 0 328.369 -1.172 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(OC)nn1 ZINC001146668156 787514661 /nfs/dbraw/zinc/51/46/61/787514661.db2.gz HFFQVPOXAYRLTF-NSHDSACASA-N 1 0 328.369 -1.172 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1ccc(OC)nn1 ZINC001146668164 787514533 /nfs/dbraw/zinc/51/45/33/787514533.db2.gz 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ZNJZPGBGQQHJDE-GFCCVEGCSA-N 1 0 344.412 -1.332 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879399 787519679 /nfs/dbraw/zinc/51/96/79/787519679.db2.gz ZNJZPGBGQQHJDE-LBPRGKRZSA-N 1 0 344.412 -1.332 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879405 787521119 /nfs/dbraw/zinc/52/11/19/787521119.db2.gz ZTCFBYMIYHQRIW-UHFFFAOYSA-N 1 0 342.356 -2.520 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879406 787521090 /nfs/dbraw/zinc/52/10/90/787521090.db2.gz ZVVQVYIVSIFJNI-UHFFFAOYSA-N 1 0 335.386 -2.817 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883167 787515639 /nfs/dbraw/zinc/51/56/39/787515639.db2.gz AFJGUMWEIQDSNM-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883185 787515755 /nfs/dbraw/zinc/51/57/55/787515755.db2.gz AFJGUMWEIQDSNM-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001146883331 787516765 /nfs/dbraw/zinc/51/67/65/787516765.db2.gz DDQADEPSSKYRLF-UHFFFAOYSA-N 1 0 339.352 -2.217 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883590 787516386 /nfs/dbraw/zinc/51/63/86/787516386.db2.gz GSEHSBRTUUZNBU-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883591 787516661 /nfs/dbraw/zinc/51/66/61/787516661.db2.gz GSEHSBRTUUZNBU-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883592 787515999 /nfs/dbraw/zinc/51/59/99/787515999.db2.gz GSEHSBRTUUZNBU-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883593 787516047 /nfs/dbraw/zinc/51/60/47/787516047.db2.gz GSEHSBRTUUZNBU-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883895 787516692 /nfs/dbraw/zinc/51/66/92/787516692.db2.gz MMULCZIUTMNHJL-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146883896 787516867 /nfs/dbraw/zinc/51/68/67/787516867.db2.gz MMULCZIUTMNHJL-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146884186 787518670 /nfs/dbraw/zinc/51/86/70/787518670.db2.gz SKTNPONFQKXVNA-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146884187 787518115 /nfs/dbraw/zinc/51/81/15/787518115.db2.gz SKTNPONFQKXVNA-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146884203 787518589 /nfs/dbraw/zinc/51/85/89/787518589.db2.gz TXCLYMPXJBGDOF-LLVKDONJSA-N 1 0 341.412 -1.205 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146884204 787518426 /nfs/dbraw/zinc/51/84/26/787518426.db2.gz TXCLYMPXJBGDOF-NSHDSACASA-N 1 0 341.412 -1.205 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001146884370 787518083 /nfs/dbraw/zinc/51/80/83/787518083.db2.gz XAUNTFCNZVDMLC-LLVKDONJSA-N 1 0 338.368 -2.108 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001146884371 787518750 /nfs/dbraw/zinc/51/87/50/787518750.db2.gz XAUNTFCNZVDMLC-NSHDSACASA-N 1 0 338.368 -2.108 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CN1CCC(=O)NC1=O)C(=O)NC(C)(C)C ZINC001146884415 787517582 /nfs/dbraw/zinc/51/75/82/787517582.db2.gz YPICYTBQAKFFFD-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CN1CCC(=O)NC1=O)C(=O)NC(C)(C)C ZINC001146884416 787517568 /nfs/dbraw/zinc/51/75/68/787517568.db2.gz YPICYTBQAKFFFD-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]CCCN1CCCC1=O ZINC001146884441 787518235 /nfs/dbraw/zinc/51/82/35/787518235.db2.gz ZNTDFFJTGNHSFR-UHFFFAOYSA-N 1 0 339.396 -1.353 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)NCC[NH2+]CC(=O)N1CCC1 ZINC001146889664 787517995 /nfs/dbraw/zinc/51/79/95/787517995.db2.gz BXTZXPICSHJUDO-UHFFFAOYSA-N 1 0 336.396 -1.681 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146889730 787518616 /nfs/dbraw/zinc/51/86/16/787518616.db2.gz GUVKTJFKUMUJEL-UHFFFAOYSA-N 1 0 338.412 -1.435 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146895754 787518702 /nfs/dbraw/zinc/51/87/02/787518702.db2.gz ASTXWZPTWZHQIK-UHFFFAOYSA-N 1 0 338.412 -1.387 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)NCC[NH2+]CCn1cncn1 ZINC001146895760 787517630 /nfs/dbraw/zinc/51/76/30/787517630.db2.gz AYQDWINWKKNBGE-UHFFFAOYSA-N 1 0 334.384 -1.621 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)N(C)C ZINC001146895768 787517671 /nfs/dbraw/zinc/51/76/71/787517671.db2.gz BDRZXNBCDPLKMI-LLVKDONJSA-N 1 0 338.412 -1.436 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)N(C)C ZINC001146895769 787518741 /nfs/dbraw/zinc/51/87/41/787518741.db2.gz BDRZXNBCDPLKMI-NSHDSACASA-N 1 0 338.412 -1.436 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146895783 787517516 /nfs/dbraw/zinc/51/75/16/787517516.db2.gz BXIYMBABEAAQIH-UHFFFAOYSA-N 1 0 341.412 -1.250 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2)NC1CC1 ZINC001146895941 787518147 /nfs/dbraw/zinc/51/81/47/787518147.db2.gz GATXRKRPNKCZCC-UHFFFAOYSA-N 1 0 336.396 -1.635 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896042 787517979 /nfs/dbraw/zinc/51/79/79/787517979.db2.gz HBYWJHXAEYNIDX-UHFFFAOYSA-N 1 0 339.356 -2.718 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)NCC[NH2+]CCn1cccn1 ZINC001146896084 787518626 /nfs/dbraw/zinc/51/86/26/787518626.db2.gz HWWOEESSPANPAD-UHFFFAOYSA-N 1 0 333.396 -1.016 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)NCC[NH2+][C@@H]1CCCNC1=O ZINC001146896093 787517875 /nfs/dbraw/zinc/51/78/75/787517875.db2.gz IFCAMNZGCMNKPW-LLVKDONJSA-N 1 0 336.396 -1.635 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)NCC[NH2+][C@H]1CCCNC1=O ZINC001146896094 787517934 /nfs/dbraw/zinc/51/79/34/787517934.db2.gz IFCAMNZGCMNKPW-NSHDSACASA-N 1 0 336.396 -1.635 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896099 787518262 /nfs/dbraw/zinc/51/82/62/787518262.db2.gz IJTIYRQFYGHTCA-UHFFFAOYSA-N 1 0 338.412 -1.389 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896119 787518276 /nfs/dbraw/zinc/51/82/76/787518276.db2.gz JMRBDKMVLQRBGM-UHFFFAOYSA-N 1 0 345.425 -1.869 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896130 787517910 /nfs/dbraw/zinc/51/79/10/787517910.db2.gz JXKYOQGLOFAFES-LLVKDONJSA-N 1 0 327.385 -1.906 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896131 787517855 /nfs/dbraw/zinc/51/78/55/787517855.db2.gz JXKYOQGLOFAFES-NSHDSACASA-N 1 0 327.385 -1.906 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896289 787518601 /nfs/dbraw/zinc/51/86/01/787518601.db2.gz MKEKRZLQPHJFQC-UHFFFAOYSA-N 1 0 334.384 -1.584 20 0 EAADRO O=C(Cn1nc2n(c1=O)CCCC2)NCC[NH2+]CCOCCO ZINC001146896419 787518023 /nfs/dbraw/zinc/51/80/23/787518023.db2.gz OUHNGUXHNIQWHL-UHFFFAOYSA-N 1 0 327.385 -1.904 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896727 787518203 /nfs/dbraw/zinc/51/82/03/787518203.db2.gz WEIMAGNHZJFSTG-UHFFFAOYSA-N 1 0 348.411 -1.102 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)Cn2nc3n(c2=O)CCCC3)C1=O ZINC001146896944 787518041 /nfs/dbraw/zinc/51/80/41/787518041.db2.gz YRPCYRHNNIALDT-LLVKDONJSA-N 1 0 336.396 -1.682 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)Cn2nc3n(c2=O)CCCC3)C1=O ZINC001146896945 787517709 /nfs/dbraw/zinc/51/77/09/787517709.db2.gz YRPCYRHNNIALDT-NSHDSACASA-N 1 0 336.396 -1.682 20 0 EAADRO CCC(=O)N1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001146901458 787518735 /nfs/dbraw/zinc/51/87/35/787518735.db2.gz CULYVBNCWZTBOR-LLVKDONJSA-N 1 0 339.396 -1.498 20 0 EAADRO CCC(=O)N1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001146901459 787517694 /nfs/dbraw/zinc/51/76/94/787517694.db2.gz CULYVBNCWZTBOR-NSHDSACASA-N 1 0 339.396 -1.498 20 0 EAADRO CCC(=O)N1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001146901472 787517756 /nfs/dbraw/zinc/51/77/56/787517756.db2.gz DCWKIDMQIJELOR-JTQLQIEISA-N 1 0 327.385 -1.594 20 0 EAADRO CCC(=O)N1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001146901473 787517721 /nfs/dbraw/zinc/51/77/21/787517721.db2.gz DCWKIDMQIJELOR-SNVBAGLBSA-N 1 0 327.385 -1.594 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001146902059 787517866 /nfs/dbraw/zinc/51/78/66/787517866.db2.gz HLQGQRGFHDCCFL-LLVKDONJSA-N 1 0 341.412 -1.204 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001146902061 787517526 /nfs/dbraw/zinc/51/75/26/787517526.db2.gz HLQGQRGFHDCCFL-NSHDSACASA-N 1 0 341.412 -1.204 20 0 EAADRO CCC(=O)N1CC[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001146902092 787518560 /nfs/dbraw/zinc/51/85/60/787518560.db2.gz HVIVWUJFVVWBNW-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CCC(=O)N1CC[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001146902095 787518690 /nfs/dbraw/zinc/51/86/90/787518690.db2.gz HVIVWUJFVVWBNW-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO CCC(=O)N1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001146902173 787518222 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ZINC001146995764 787523372 /nfs/dbraw/zinc/52/33/72/787523372.db2.gz YSGFXYCIZKSGFD-OTYXRUKQSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(=O)N1CC[C@](C)(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001146995765 787524104 /nfs/dbraw/zinc/52/41/04/787524104.db2.gz YSGFXYCIZKSGFD-XPTSAGLGSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(=O)N1CC[C@@](C)(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001146995766 787523151 /nfs/dbraw/zinc/52/31/51/787523151.db2.gz YSGFXYCIZKSGFD-YMTOWFKASA-N 1 0 327.385 -1.466 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCc2nc[nH]c2C1 ZINC001146995785 787522675 /nfs/dbraw/zinc/52/26/75/787522675.db2.gz ZDJSWPWRERNVKF-JTQLQIEISA-N 1 0 334.380 -1.228 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001146995786 787523967 /nfs/dbraw/zinc/52/39/67/787523967.db2.gz ZDJSWPWRERNVKF-SNVBAGLBSA-N 1 0 334.380 -1.228 20 0 EAADRO Cc1cn2ccnc(C(=O)NCC[NH2+]CCN3C(=O)CNC3=O)c2n1 ZINC001146998179 787523881 /nfs/dbraw/zinc/52/38/81/787523881.db2.gz DLCVQEMTQOQSAL-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/52/56/48/787525648.db2.gz FMZALZOOTLOFDH-UHFFFAOYSA-N 1 0 333.352 -1.209 20 0 EAADRO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001147005610 787524522 /nfs/dbraw/zinc/52/45/22/787524522.db2.gz KLJAOKQSSDOFQO-LLVKDONJSA-N 1 0 344.437 -1.376 20 0 EAADRO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001147005611 787525263 /nfs/dbraw/zinc/52/52/63/787525263.db2.gz KLJAOKQSSDOFQO-NSHDSACASA-N 1 0 344.437 -1.376 20 0 EAADRO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001147005879 787525570 /nfs/dbraw/zinc/52/55/70/787525570.db2.gz MUKCUJYTOVFKKM-LLVKDONJSA-N 1 0 333.396 -1.032 20 0 EAADRO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001147005880 787525121 /nfs/dbraw/zinc/52/51/21/787525121.db2.gz MUKCUJYTOVFKKM-NSHDSACASA-N 1 0 333.396 -1.032 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147005957 787525665 /nfs/dbraw/zinc/52/56/65/787525665.db2.gz PQJGHXHRUZCHLH-GFCCVEGCSA-N 1 0 344.412 -1.787 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147005958 787525403 /nfs/dbraw/zinc/52/54/03/787525403.db2.gz PQJGHXHRUZCHLH-LBPRGKRZSA-N 1 0 344.412 -1.787 20 0 EAADRO CC(C)NC(=O)NCC[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147006276 787525228 /nfs/dbraw/zinc/52/52/28/787525228.db2.gz VVTRSNGCDKYZSZ-UHFFFAOYSA-N 1 0 340.428 -1.103 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147006372 787525833 /nfs/dbraw/zinc/52/58/33/787525833.db2.gz ZZPPILLHLSQBRG-UHFFFAOYSA-N 1 0 341.412 -1.658 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCn3cncn3)C2)C1 ZINC001147010180 787525922 /nfs/dbraw/zinc/52/59/22/787525922.db2.gz VNKAHYFXOOPQOC-LLVKDONJSA-N 1 0 349.395 -1.214 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCn3cncn3)C2)C1 ZINC001147010181 787525451 /nfs/dbraw/zinc/52/54/51/787525451.db2.gz VNKAHYFXOOPQOC-NSHDSACASA-N 1 0 349.395 -1.214 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147013467 787524702 /nfs/dbraw/zinc/52/47/02/787524702.db2.gz AVISMFVURJLGDM-JTQLQIEISA-N 1 0 331.398 -1.397 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147013470 787525711 /nfs/dbraw/zinc/52/57/11/787525711.db2.gz AVISMFVURJLGDM-SNVBAGLBSA-N 1 0 331.398 -1.397 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147013530 787525776 /nfs/dbraw/zinc/52/57/76/787525776.db2.gz CEVOPIFNYVCXKK-LLVKDONJSA-N 1 0 345.425 -1.006 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147013531 787525599 /nfs/dbraw/zinc/52/55/99/787525599.db2.gz CEVOPIFNYVCXKK-NSHDSACASA-N 1 0 345.425 -1.006 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147013734 787524358 /nfs/dbraw/zinc/52/43/58/787524358.db2.gz DJNUNDCVDUSMNO-SECBINFHSA-N 1 0 339.356 -1.986 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147013735 787525890 /nfs/dbraw/zinc/52/58/90/787525890.db2.gz DJNUNDCVDUSMNO-VIFPVBQESA-N 1 0 339.356 -1.986 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147013862 787524860 /nfs/dbraw/zinc/52/48/60/787524860.db2.gz GBMHSFIXMNSQFV-NXEZZACHSA-N 1 0 336.352 -1.636 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cn([C@H]2CCOC2)nn1 ZINC001147013866 787524305 /nfs/dbraw/zinc/52/43/05/787524305.db2.gz GBMHSFIXMNSQFV-UWVGGRQHSA-N 1 0 336.352 -1.636 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cn([C@H]2CCOC2)nn1 ZINC001147013869 787524761 /nfs/dbraw/zinc/52/47/61/787524761.db2.gz GBMHSFIXMNSQFV-VHSXEESVSA-N 1 0 336.352 -1.636 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147013871 787525862 /nfs/dbraw/zinc/52/58/62/787525862.db2.gz GBMHSFIXMNSQFV-ZJUUUORDSA-N 1 0 336.352 -1.636 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147014780 787525369 /nfs/dbraw/zinc/52/53/69/787525369.db2.gz KHBKVKVWJZGOSI-JTQLQIEISA-N 1 0 346.413 -1.892 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147014795 787525622 /nfs/dbraw/zinc/52/56/22/787525622.db2.gz KHBKVKVWJZGOSI-SNVBAGLBSA-N 1 0 346.413 -1.892 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147015654 787524986 /nfs/dbraw/zinc/52/49/86/787524986.db2.gz PCYBSUMFOCSWIS-MRVPVSSYSA-N 1 0 325.329 -2.246 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147015658 787525635 /nfs/dbraw/zinc/52/56/35/787525635.db2.gz PCYBSUMFOCSWIS-QMMMGPOBSA-N 1 0 325.329 -2.246 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147016005 787525745 /nfs/dbraw/zinc/52/57/45/787525745.db2.gz QAGAFPBOQATZHS-LLVKDONJSA-N 1 0 337.384 -1.416 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)c1cn([C@H]2CCOC2)nn1 ZINC001147016008 787524822 /nfs/dbraw/zinc/52/48/22/787524822.db2.gz QAGAFPBOQATZHS-NSHDSACASA-N 1 0 337.384 -1.416 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[C@@]23CCOC3)cc(=O)n(C)c1=O ZINC001147016093 787525296 /nfs/dbraw/zinc/52/52/96/787525296.db2.gz QVEIRMMLFBEPRN-BLLLJJGKSA-N 1 0 336.392 -1.284 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[C@]23CCOC3)cc(=O)n(C)c1=O ZINC001147016098 787525586 /nfs/dbraw/zinc/52/55/86/787525586.db2.gz QVEIRMMLFBEPRN-LRDDRELGSA-N 1 0 336.392 -1.284 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@H]2C[C@@]23CCOC3)cc(=O)n(C)c1=O ZINC001147016100 787525678 /nfs/dbraw/zinc/52/56/78/787525678.db2.gz QVEIRMMLFBEPRN-MLGOLLRUSA-N 1 0 336.392 -1.284 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)[C@H]2C[C@]23CCOC3)cc(=O)n(C)c1=O ZINC001147016102 787525485 /nfs/dbraw/zinc/52/54/85/787525485.db2.gz QVEIRMMLFBEPRN-WBMJQRKESA-N 1 0 336.392 -1.284 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001147022297 787525159 /nfs/dbraw/zinc/52/51/59/787525159.db2.gz BRFOBGLJJSZDBN-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001147022298 787524633 /nfs/dbraw/zinc/52/46/33/787524633.db2.gz BRFOBGLJJSZDBN-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001147022299 787524949 /nfs/dbraw/zinc/52/49/49/787524949.db2.gz BRFOBGLJJSZDBN-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001147022300 787524873 /nfs/dbraw/zinc/52/48/73/787524873.db2.gz BRFOBGLJJSZDBN-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001147022316 787525025 /nfs/dbraw/zinc/52/50/25/787525025.db2.gz CLASOKSYHPOMFU-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001147022317 787525938 /nfs/dbraw/zinc/52/59/38/787525938.db2.gz CLASOKSYHPOMFU-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001147022715 787525898 /nfs/dbraw/zinc/52/58/98/787525898.db2.gz PNUXYTSNTYNZBS-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001147022716 787525502 /nfs/dbraw/zinc/52/55/02/787525502.db2.gz PNUXYTSNTYNZBS-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001147025827 787525031 /nfs/dbraw/zinc/52/50/31/787525031.db2.gz FQLVTKCQKARPFK-GHMZBOCLSA-N 1 0 340.380 -1.481 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001147025828 787525690 /nfs/dbraw/zinc/52/56/90/787525690.db2.gz FQLVTKCQKARPFK-MNOVXSKESA-N 1 0 340.380 -1.481 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001147025829 787524897 /nfs/dbraw/zinc/52/48/97/787524897.db2.gz FQLVTKCQKARPFK-QWRGUYRKSA-N 1 0 340.380 -1.481 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001147025830 787526269 /nfs/dbraw/zinc/52/62/69/787526269.db2.gz FQLVTKCQKARPFK-WDEREUQCSA-N 1 0 340.380 -1.481 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001147027595 787527501 /nfs/dbraw/zinc/52/75/01/787527501.db2.gz HKVPVEBLQBEASA-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001147027598 787526735 /nfs/dbraw/zinc/52/67/35/787526735.db2.gz HKVPVEBLQBEASA-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001147027601 787527357 /nfs/dbraw/zinc/52/73/57/787527357.db2.gz HKVPVEBLQBEASA-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001147027602 787527138 /nfs/dbraw/zinc/52/71/38/787527138.db2.gz HKVPVEBLQBEASA-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1)C(=O)NC(N)=O ZINC001147028045 787527189 /nfs/dbraw/zinc/52/71/89/787527189.db2.gz NYPYUMGPLZNCIO-BDAKNGLRSA-N 1 0 339.356 -1.858 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1)C(=O)NC(N)=O ZINC001147028046 787526618 /nfs/dbraw/zinc/52/66/18/787526618.db2.gz NYPYUMGPLZNCIO-DTWKUNHWSA-N 1 0 339.356 -1.858 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1)C(=O)NC(N)=O ZINC001147028047 787527080 /nfs/dbraw/zinc/52/70/80/787527080.db2.gz NYPYUMGPLZNCIO-IUCAKERBSA-N 1 0 339.356 -1.858 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1)C(=O)NC(N)=O ZINC001147028048 787527313 /nfs/dbraw/zinc/52/73/13/787527313.db2.gz NYPYUMGPLZNCIO-RKDXNWHRSA-N 1 0 339.356 -1.858 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)c1cn([C@@H]2CCOC2)nn1 ZINC001147028253 787527264 /nfs/dbraw/zinc/52/72/64/787527264.db2.gz QDIBPVOKZKWSOC-CHWSQXEVSA-N 1 0 349.395 -1.184 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)c1cn([C@@H]2CCOC2)nn1 ZINC001147028259 787526106 /nfs/dbraw/zinc/52/61/06/787526106.db2.gz QDIBPVOKZKWSOC-OLZOCXBDSA-N 1 0 349.395 -1.184 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)c1cn([C@H]2CCOC2)nn1 ZINC001147028263 787526533 /nfs/dbraw/zinc/52/65/33/787526533.db2.gz QDIBPVOKZKWSOC-QWHCGFSZSA-N 1 0 349.395 -1.184 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)c1cn([C@H]2CCOC2)nn1 ZINC001147028269 787526888 /nfs/dbraw/zinc/52/68/88/787526888.db2.gz QDIBPVOKZKWSOC-STQMWFEESA-N 1 0 349.395 -1.184 20 0 EAADRO COCCC[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001147031598 787526086 /nfs/dbraw/zinc/52/60/86/787526086.db2.gz BCBXEIXOSFDFAT-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO COCCC[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001147031599 787526943 /nfs/dbraw/zinc/52/69/43/787526943.db2.gz BCBXEIXOSFDFAT-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CC ZINC001147045654 787527017 /nfs/dbraw/zinc/52/70/17/787527017.db2.gz BULOKSBYLWWDQQ-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CC ZINC001147045655 787526542 /nfs/dbraw/zinc/52/65/42/787526542.db2.gz BULOKSBYLWWDQQ-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001147045801 787524649 /nfs/dbraw/zinc/52/46/49/787524649.db2.gz CUDLKCGPWHXWAV-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001147045802 787524916 /nfs/dbraw/zinc/52/49/16/787524916.db2.gz CUDLKCGPWHXWAV-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001147046130 787526419 /nfs/dbraw/zinc/52/64/19/787526419.db2.gz IIIAQEWLSARSEE-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001147046134 787527391 /nfs/dbraw/zinc/52/73/91/787527391.db2.gz IIIAQEWLSARSEE-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001147046580 787527203 /nfs/dbraw/zinc/52/72/03/787527203.db2.gz MIDCYKYFALMHBT-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001147046584 787526442 /nfs/dbraw/zinc/52/64/42/787526442.db2.gz MIDCYKYFALMHBT-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001147049365 787526934 /nfs/dbraw/zinc/52/69/34/787526934.db2.gz AIYLXPCHOCMMKL-NWDGAFQWSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001147049366 787526689 /nfs/dbraw/zinc/52/66/89/787526689.db2.gz AIYLXPCHOCMMKL-RYUDHWBXSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001147049367 787526811 /nfs/dbraw/zinc/52/68/11/787526811.db2.gz AJVKHVDBANPWJR-UWVGGRQHSA-N 1 0 338.372 -2.838 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001147049368 787527376 /nfs/dbraw/zinc/52/73/76/787527376.db2.gz AJVKHVDBANPWJR-VHSXEESVSA-N 1 0 338.372 -2.838 20 0 EAADRO Cc1ncccc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147049371 787526844 /nfs/dbraw/zinc/52/68/44/787526844.db2.gz AMNLQYUIYNORIQ-LBPRGKRZSA-N 1 0 346.395 -1.213 20 0 EAADRO Cc1cccnc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147049426 787527520 /nfs/dbraw/zinc/52/75/20/787527520.db2.gz BTOXVFJFAVWPMN-LBPRGKRZSA-N 1 0 346.395 -1.213 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001147049433 787527273 /nfs/dbraw/zinc/52/72/73/787527273.db2.gz BUDLJNDCGSYKIA-NSHDSACASA-N 1 0 349.399 -2.140 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cncs1 ZINC001147049604 787527254 /nfs/dbraw/zinc/52/72/54/787527254.db2.gz CWWSHYIKPIPHIW-VIFPVBQESA-N 1 0 338.397 -1.460 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cccnc1 ZINC001147049632 787527218 /nfs/dbraw/zinc/52/72/18/787527218.db2.gz DDIFWUFWQHLMBJ-NSHDSACASA-N 1 0 332.368 -1.521 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001147049738 787527094 /nfs/dbraw/zinc/52/70/94/787527094.db2.gz FTWUKFNJJYOXFP-JTQLQIEISA-N 1 0 338.372 -2.884 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001147049739 787527404 /nfs/dbraw/zinc/52/74/04/787527404.db2.gz FXAJITKJQNAGFT-NWDGAFQWSA-N 1 0 339.400 -1.690 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001147049740 787526707 /nfs/dbraw/zinc/52/67/07/787526707.db2.gz FXAJITKJQNAGFT-RYUDHWBXSA-N 1 0 339.400 -1.690 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050053 787526962 /nfs/dbraw/zinc/52/69/62/787526962.db2.gz GEHJXHFWHIYVRU-BDAKNGLRSA-N 1 0 326.361 -2.982 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050054 787527532 /nfs/dbraw/zinc/52/75/32/787527532.db2.gz GEHJXHFWHIYVRU-IUCAKERBSA-N 1 0 326.361 -2.982 20 0 EAADRO Cc1oncc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050055 787527484 /nfs/dbraw/zinc/52/74/84/787527484.db2.gz GEIBMZQBDMHAPC-VIFPVBQESA-N 1 0 336.356 -1.620 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050056 787526878 /nfs/dbraw/zinc/52/68/78/787526878.db2.gz GEUUYAPZDVIOOP-UWVGGRQHSA-N 1 0 329.361 -3.109 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050057 787527451 /nfs/dbraw/zinc/52/74/51/787527451.db2.gz GEUUYAPZDVIOOP-VHSXEESVSA-N 1 0 329.361 -3.109 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cncn1C ZINC001147050085 787526633 /nfs/dbraw/zinc/52/66/33/787526633.db2.gz HFYGUESEFLLGPG-JTQLQIEISA-N 1 0 335.372 -2.183 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCn1cccn1 ZINC001147050089 787527306 /nfs/dbraw/zinc/52/73/06/787527306.db2.gz HKPDISBVTRHCKO-NSHDSACASA-N 1 0 335.372 -2.220 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050099 787527173 /nfs/dbraw/zinc/52/71/73/787527173.db2.gz HRXVPERFWAMOMF-MNOVXSKESA-N 1 0 327.389 -1.955 20 0 EAADRO C[C@H](O)CCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050100 787526752 /nfs/dbraw/zinc/52/67/52/787526752.db2.gz HRXVPERFWAMOMF-QWRGUYRKSA-N 1 0 327.389 -1.955 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147050131 787526695 /nfs/dbraw/zinc/52/66/95/787526695.db2.gz IKYPSJNXVDYUIY-ZETCQYMHSA-N 1 0 341.332 -3.922 20 0 EAADRO Cc1cc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn2cnnn2)ncn1 ZINC001147050144 787526937 /nfs/dbraw/zinc/52/69/37/787526937.db2.gz IPVCUVJOSRLZRI-NSHDSACASA-N 1 0 347.383 -1.818 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccns1 ZINC001147050354 787526340 /nfs/dbraw/zinc/52/63/40/787526340.db2.gz ISKHDZFRQXSKNF-VIFPVBQESA-N 1 0 338.397 -1.460 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001147050372 787526746 /nfs/dbraw/zinc/52/67/46/787526746.db2.gz JGCNQKDQDUKXRU-VIFPVBQESA-N 1 0 326.361 -3.028 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050373 787527105 /nfs/dbraw/zinc/52/71/05/787527105.db2.gz JGWXBRQXIUDUSE-JTQLQIEISA-N 1 0 340.388 -2.590 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOC1CCC1 ZINC001147050379 787527134 /nfs/dbraw/zinc/52/71/34/787527134.db2.gz JQFLEAQDQSXBHZ-NSHDSACASA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001147050403 787526956 /nfs/dbraw/zinc/52/69/56/787526956.db2.gz JZUGTWQHLKZZBU-VIFPVBQESA-N 1 0 336.360 -2.788 20 0 EAADRO CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050415 787526209 /nfs/dbraw/zinc/52/62/09/787526209.db2.gz KIPBMUZYOGBUHE-VIFPVBQESA-N 1 0 326.361 -2.980 20 0 EAADRO Cc1cc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn2cnnn2)on1 ZINC001147050457 787528070 /nfs/dbraw/zinc/52/80/70/787528070.db2.gz KUWLABCDBLRPSU-JTQLQIEISA-N 1 0 336.356 -1.620 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001147050477 787528302 /nfs/dbraw/zinc/52/83/02/787528302.db2.gz LGRWOMSJWPFSNQ-VIFPVBQESA-N 1 0 347.401 -3.072 20 0 EAADRO CC[C@@H](C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1)OC ZINC001147050758 787528767 /nfs/dbraw/zinc/52/87/67/787528767.db2.gz LSXOUZUEAIOBLV-QWRGUYRKSA-N 1 0 327.389 -1.691 20 0 EAADRO CC[C@H](C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1)OC ZINC001147050760 787529102 /nfs/dbraw/zinc/52/91/02/787529102.db2.gz LSXOUZUEAIOBLV-WDEREUQCSA-N 1 0 327.389 -1.691 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccccn1 ZINC001147050771 787529110 /nfs/dbraw/zinc/52/91/10/787529110.db2.gz LXCOZKUTCRMJJS-NSHDSACASA-N 1 0 332.368 -1.521 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001147050794 787528425 /nfs/dbraw/zinc/52/84/25/787528425.db2.gz MKAOYEJHNIVPOE-VIFPVBQESA-N 1 0 345.354 -1.071 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147050801 787528030 /nfs/dbraw/zinc/52/80/30/787528030.db2.gz MQTZDWSFUNMJKP-JTQLQIEISA-N 1 0 340.388 -2.638 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn2cnnn2)cn1 ZINC001147051004 787529120 /nfs/dbraw/zinc/52/91/20/787529120.db2.gz OBZQTJXSZMJXMS-JTQLQIEISA-N 1 0 347.383 -1.818 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1)c1cnccn1 ZINC001147051027 787528957 /nfs/dbraw/zinc/52/89/57/787528957.db2.gz OLGKIDBIDSQQQE-MNOVXSKESA-N 1 0 347.383 -1.565 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001147051031 787528551 /nfs/dbraw/zinc/52/85/51/787528551.db2.gz OLGKIDBIDSQQQE-QWRGUYRKSA-N 1 0 347.383 -1.565 20 0 EAADRO Cc1ccncc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051040 787528690 /nfs/dbraw/zinc/52/86/90/787528690.db2.gz OWGQEJMDOPREHI-LBPRGKRZSA-N 1 0 346.395 -1.213 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOCC(F)F ZINC001147051305 787527897 /nfs/dbraw/zinc/52/78/97/787527897.db2.gz RHBNKKOXZQGZBR-VIFPVBQESA-N 1 0 349.342 -1.835 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001147051326 787529041 /nfs/dbraw/zinc/52/90/41/787529041.db2.gz RUTYOFIASILNDQ-VIFPVBQESA-N 1 0 338.372 -2.838 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001147051341 787529054 /nfs/dbraw/zinc/52/90/54/787529054.db2.gz SGFJVZCPUGKBPY-JTQLQIEISA-N 1 0 335.372 -2.183 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051400 787528738 /nfs/dbraw/zinc/52/87/38/787528738.db2.gz UAUSQSOOAHZUNP-JTQLQIEISA-N 1 0 340.388 -2.592 20 0 EAADRO Cc1nocc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051414 787528461 /nfs/dbraw/zinc/52/84/61/787528461.db2.gz UIOGOFIVLJNMFA-JTQLQIEISA-N 1 0 336.356 -1.620 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051611 787528805 /nfs/dbraw/zinc/52/88/05/787528805.db2.gz VCCAMMAMBOLMEF-NSHDSACASA-N 1 0 349.399 -1.874 20 0 EAADRO CC(C)COCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051646 787528586 /nfs/dbraw/zinc/52/85/86/787528586.db2.gz VRFUPMFVWFZFJP-LBPRGKRZSA-N 1 0 341.416 -1.444 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCc1ccnn1C ZINC001147051651 787528885 /nfs/dbraw/zinc/52/88/85/787528885.db2.gz VRPJQFQCRZUPEO-NSHDSACASA-N 1 0 349.399 -2.140 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCC(F)(F)F ZINC001147051678 787527959 /nfs/dbraw/zinc/52/79/59/787527959.db2.gz VWXKWINSHPFKKW-QMMMGPOBSA-N 1 0 337.306 -1.164 20 0 EAADRO Cc1cncc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn2cnnn2)c1 ZINC001147051774 787528599 /nfs/dbraw/zinc/52/85/99/787528599.db2.gz WWOYUDZJHDIORO-LBPRGKRZSA-N 1 0 346.395 -1.213 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001147051775 787528890 /nfs/dbraw/zinc/52/88/90/787528890.db2.gz WYBPMTXBAGAAAW-NWDGAFQWSA-N 1 0 339.400 -1.690 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001147051776 787528880 /nfs/dbraw/zinc/52/88/80/787528880.db2.gz WYBPMTXBAGAAAW-RYUDHWBXSA-N 1 0 339.400 -1.690 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOCCO ZINC001147051865 787528727 /nfs/dbraw/zinc/52/87/27/787528727.db2.gz XXZRPCAMHJDPQB-JTQLQIEISA-N 1 0 329.361 -3.108 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccnn1C ZINC001147051927 787528796 /nfs/dbraw/zinc/52/87/96/787528796.db2.gz YHZWCSQYHFAYLJ-JTQLQIEISA-N 1 0 335.372 -2.183 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051980 787528121 /nfs/dbraw/zinc/52/81/21/787528121.db2.gz ZLDRPSIYAZSWOE-NSHDSACASA-N 1 0 343.388 -2.453 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOCC1CC1 ZINC001147055865 787528665 /nfs/dbraw/zinc/52/86/65/787528665.db2.gz ANTANXDYTDVCSO-NSHDSACASA-N 1 0 339.400 -1.690 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn2cnnn2)o1 ZINC001147055878 787528493 /nfs/dbraw/zinc/52/84/93/787528493.db2.gz BBQZHXHVDYJCRT-VIFPVBQESA-N 1 0 336.356 -1.620 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCCCOC ZINC001147055904 787527902 /nfs/dbraw/zinc/52/79/02/787527902.db2.gz CBXDNBARRIHCRH-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCCCOC ZINC001147055905 787528113 /nfs/dbraw/zinc/52/81/13/787528113.db2.gz CBXDNBARRIHCRH-NSHDSACASA-N 1 0 332.401 -1.021 20 0 EAADRO CC(C)OCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147055911 787528778 /nfs/dbraw/zinc/52/87/78/787528778.db2.gz CSBDWIFKLOVWNW-NSHDSACASA-N 1 0 327.389 -1.691 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001147055941 787529107 /nfs/dbraw/zinc/52/91/07/787529107.db2.gz DXYPSRPHVHBMAE-JTQLQIEISA-N 1 0 336.360 -2.825 20 0 EAADRO CCOCCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147055960 787528981 /nfs/dbraw/zinc/52/89/81/787528981.db2.gz FVOMBSZDMONVSN-NSHDSACASA-N 1 0 327.389 -1.690 20 0 EAADRO Cc1ncoc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147055972 787528094 /nfs/dbraw/zinc/52/80/94/787528094.db2.gz GVZPTDPOABRSRT-JTQLQIEISA-N 1 0 336.356 -1.620 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001147056003 787529009 /nfs/dbraw/zinc/52/90/09/787529009.db2.gz IEULKSLWMWTNFW-NWDGAFQWSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001147056004 787529061 /nfs/dbraw/zinc/52/90/61/787529061.db2.gz IEULKSLWMWTNFW-RYUDHWBXSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001147056065 787529089 /nfs/dbraw/zinc/52/90/89/787529089.db2.gz KMYCINZYJVSKDR-UWVGGRQHSA-N 1 0 338.372 -2.886 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001147056069 787528360 /nfs/dbraw/zinc/52/83/60/787528360.db2.gz KMYCINZYJVSKDR-VHSXEESVSA-N 1 0 338.372 -2.886 20 0 EAADRO Cc1cnc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn2cnnn2)cn1 ZINC001147056100 787528917 /nfs/dbraw/zinc/52/89/17/787528917.db2.gz LRXSREHTJBOBPR-NSHDSACASA-N 1 0 347.383 -1.818 20 0 EAADRO Cc1nccnc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147056119 787527941 /nfs/dbraw/zinc/52/79/41/787527941.db2.gz MEETZDZYCQEHJU-NSHDSACASA-N 1 0 347.383 -1.818 20 0 EAADRO COCCCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)cn1 ZINC001147056120 787527963 /nfs/dbraw/zinc/52/79/63/787527963.db2.gz MERQJTPYQFEFAT-JTQLQIEISA-N 1 0 340.384 -1.178 20 0 EAADRO COCCCn1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)cn1 ZINC001147056126 787528482 /nfs/dbraw/zinc/52/84/82/787528482.db2.gz MERQJTPYQFEFAT-SNVBAGLBSA-N 1 0 340.384 -1.178 20 0 EAADRO COCCCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147056399 787529066 /nfs/dbraw/zinc/52/90/66/787529066.db2.gz RKOKITNSHJQGPZ-NSHDSACASA-N 1 0 327.389 -1.690 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001147056404 787529082 /nfs/dbraw/zinc/52/90/82/787529082.db2.gz RRFFQOBDUNTFTI-NSHDSACASA-N 1 0 339.400 -1.690 20 0 EAADRO CC(C)OCCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147056427 787528989 /nfs/dbraw/zinc/52/89/89/787528989.db2.gz TTWISXPJDXOGME-LBPRGKRZSA-N 1 0 341.416 -1.301 20 0 EAADRO COCCCn1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001147056429 787528944 /nfs/dbraw/zinc/52/89/44/787528944.db2.gz TXEYRJQXLOCZHS-UHFFFAOYSA-N 1 0 326.357 -1.566 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001147056432 787528626 /nfs/dbraw/zinc/52/86/26/787528626.db2.gz UINYTJFTEMFZCI-UWVGGRQHSA-N 1 0 340.388 -2.640 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001147056433 787528865 /nfs/dbraw/zinc/52/88/65/787528865.db2.gz UINYTJFTEMFZCI-VHSXEESVSA-N 1 0 340.388 -2.640 20 0 EAADRO CCCCOCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147056436 787528967 /nfs/dbraw/zinc/52/89/67/787528967.db2.gz UKSVHLKKURFNDL-LBPRGKRZSA-N 1 0 341.416 -1.300 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001147056575 787528877 /nfs/dbraw/zinc/52/88/77/787528877.db2.gz WCDBQNIRKGJKLL-QWRGUYRKSA-N 1 0 325.373 -2.080 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001147056576 787527999 /nfs/dbraw/zinc/52/79/99/787527999.db2.gz WCDBQNIRKGJKLL-WDEREUQCSA-N 1 0 325.373 -2.080 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(CCCOC)c1 ZINC001147056599 787528843 /nfs/dbraw/zinc/52/88/43/787528843.db2.gz WZANCBNSGQVUHH-UHFFFAOYSA-N 1 0 340.384 -1.305 20 0 EAADRO CC[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1)C(N)=O ZINC001147056611 787528531 /nfs/dbraw/zinc/52/85/31/787528531.db2.gz XTWVBVCSXNQSQM-DTWKUNHWSA-N 1 0 326.361 -2.853 20 0 EAADRO CC[C@H]([NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1)C(N)=O ZINC001147056612 787528246 /nfs/dbraw/zinc/52/82/46/787528246.db2.gz XTWVBVCSXNQSQM-IUCAKERBSA-N 1 0 326.361 -2.853 20 0 EAADRO COCCCn1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001147056624 787528270 /nfs/dbraw/zinc/52/82/70/787528270.db2.gz YINKFZLYQQRMBB-UHFFFAOYSA-N 1 0 347.441 -1.212 20 0 EAADRO COCCCCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147056649 787528063 /nfs/dbraw/zinc/52/80/63/787528063.db2.gz ZVGHPPFMIKOZGA-LBPRGKRZSA-N 1 0 341.416 -1.300 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC2(C1)CCN(CCNS(C)(=O)=O)C2 ZINC001147061300 787528316 /nfs/dbraw/zinc/52/83/16/787528316.db2.gz JTKAFNRNRZUYMU-UHFFFAOYSA-N 1 0 346.453 -1.452 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCCCOC ZINC001147061386 787528675 /nfs/dbraw/zinc/52/86/75/787528675.db2.gz ASTSKFLNZMABQF-UHFFFAOYSA-N 1 0 332.401 -1.019 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001147061477 787527982 /nfs/dbraw/zinc/52/79/82/787527982.db2.gz BMYUBIDACGAGSZ-ZDUSSCGKSA-N 1 0 331.413 -1.271 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001147061576 787528932 /nfs/dbraw/zinc/52/89/32/787528932.db2.gz FSCDNQAURBGNGR-UHFFFAOYSA-N 1 0 325.431 -1.363 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001147062448 787528437 /nfs/dbraw/zinc/52/84/37/787528437.db2.gz PRLZAAQAFWATCF-UHFFFAOYSA-N 1 0 330.385 -1.267 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001147062608 787527916 /nfs/dbraw/zinc/52/79/16/787527916.db2.gz SOLATSBCKAZVEC-UHFFFAOYSA-N 1 0 330.385 -2.296 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001147062874 787528011 /nfs/dbraw/zinc/52/80/11/787528011.db2.gz ZAXYCXFNYIDDBK-UHFFFAOYSA-N 1 0 337.442 -1.219 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001147064430 787529131 /nfs/dbraw/zinc/52/91/31/787529131.db2.gz LPHFTMSBKSUHLX-UHFFFAOYSA-N 1 0 330.385 -1.313 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001147064523 787527887 /nfs/dbraw/zinc/52/78/87/787527887.db2.gz NVDPCFNEWOFWKW-GFCCVEGCSA-N 1 0 345.396 -1.745 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001147064531 787529944 /nfs/dbraw/zinc/52/99/44/787529944.db2.gz NVDPCFNEWOFWKW-LBPRGKRZSA-N 1 0 345.396 -1.745 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001147064787 787530644 /nfs/dbraw/zinc/53/06/44/787530644.db2.gz PGXREHRARCZUPV-CYBMUJFWSA-N 1 0 331.413 -1.102 20 0 EAADRO COCCCOCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001147064788 787529756 /nfs/dbraw/zinc/52/97/56/787529756.db2.gz PGXREHRARCZUPV-ZDUSSCGKSA-N 1 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/nfs/dbraw/zinc/53/09/02/787530902.db2.gz ZUEDTJWIYSZNLC-UHFFFAOYSA-N 1 0 330.385 -1.313 20 0 EAADRO NC(=O)NC(=O)CN1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001147071983 787530809 /nfs/dbraw/zinc/53/08/09/787530809.db2.gz UPTYQRAZQNOGPA-UHFFFAOYSA-N 1 0 337.380 -1.758 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOCCCOC ZINC001147074857 787530282 /nfs/dbraw/zinc/53/02/82/787530282.db2.gz AWOVIQGVRGOEIS-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCOCCCOC ZINC001147074858 787529741 /nfs/dbraw/zinc/52/97/41/787529741.db2.gz AWOVIQGVRGOEIS-NSHDSACASA-N 1 0 332.401 -1.021 20 0 EAADRO COCCCOCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001147076432 787531160 /nfs/dbraw/zinc/53/11/60/787531160.db2.gz ZCLOHSSWHCAXBU-UHFFFAOYSA-N 1 0 325.431 -1.315 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)NCC1CC1 ZINC001147080035 787530190 /nfs/dbraw/zinc/53/01/90/787530190.db2.gz AQLYVKNZIUCDOL-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO 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C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001147173954 787532037 /nfs/dbraw/zinc/53/20/37/787532037.db2.gz GIZGAFJQKYJZFT-GFCCVEGCSA-N 1 0 326.397 -1.581 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001147173959 787532846 /nfs/dbraw/zinc/53/28/46/787532846.db2.gz GIZGAFJQKYJZFT-LBPRGKRZSA-N 1 0 326.397 -1.581 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001147173987 787532142 /nfs/dbraw/zinc/53/21/42/787532142.db2.gz GLHNTHIEVIUMBR-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001147173988 787532714 /nfs/dbraw/zinc/53/27/14/787532714.db2.gz GLHNTHIEVIUMBR-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147176140 787532887 /nfs/dbraw/zinc/53/28/87/787532887.db2.gz NDMWVDRADYFWHK-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147176141 787531937 /nfs/dbraw/zinc/53/19/37/787531937.db2.gz NDMWVDRADYFWHK-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001147176151 787532053 /nfs/dbraw/zinc/53/20/53/787532053.db2.gz NLYVGCVCMOJTHE-NEPJUHHUSA-N 1 0 331.438 -1.005 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001147176152 787532105 /nfs/dbraw/zinc/53/21/05/787532105.db2.gz NLYVGCVCMOJTHE-NWDGAFQWSA-N 1 0 331.438 -1.005 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001147176153 787532585 /nfs/dbraw/zinc/53/25/85/787532585.db2.gz NLYVGCVCMOJTHE-RYUDHWBXSA-N 1 0 331.438 -1.005 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001147176154 787532604 /nfs/dbraw/zinc/53/26/04/787532604.db2.gz NLYVGCVCMOJTHE-VXGBXAGGSA-N 1 0 331.438 -1.005 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001147176411 787531748 /nfs/dbraw/zinc/53/17/48/787531748.db2.gz PSZHTYOGKFWCJP-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001147176414 787531857 /nfs/dbraw/zinc/53/18/57/787531857.db2.gz PSZHTYOGKFWCJP-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001147176416 787532291 /nfs/dbraw/zinc/53/22/91/787532291.db2.gz PSZHTYOGKFWCJP-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001147176417 787532571 /nfs/dbraw/zinc/53/25/71/787532571.db2.gz PSZHTYOGKFWCJP-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001147176686 787532741 /nfs/dbraw/zinc/53/27/41/787532741.db2.gz SGUXLDPZJGMTDA-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001147176687 787532522 /nfs/dbraw/zinc/53/25/22/787532522.db2.gz SGUXLDPZJGMTDA-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001147176883 787532179 /nfs/dbraw/zinc/53/21/79/787532179.db2.gz VYZBCJDHDJPWSS-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001147176884 787531997 /nfs/dbraw/zinc/53/19/97/787531997.db2.gz VYZBCJDHDJPWSS-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001147176885 787532859 /nfs/dbraw/zinc/53/28/59/787532859.db2.gz VYZBCJDHDJPWSS-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001147176886 787531786 /nfs/dbraw/zinc/53/17/86/787531786.db2.gz VYZBCJDHDJPWSS-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147176925 787532309 /nfs/dbraw/zinc/53/23/09/787532309.db2.gz WZLKYAGSZJPHQD-LLVKDONJSA-N 1 0 341.412 -1.204 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147176926 787532591 /nfs/dbraw/zinc/53/25/91/787532591.db2.gz WZLKYAGSZJPHQD-NSHDSACASA-N 1 0 341.412 -1.204 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001147177053 787532152 /nfs/dbraw/zinc/53/21/52/787532152.db2.gz XPVSAEXIHOETAZ-GFCCVEGCSA-N 1 0 346.453 -1.404 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001147177054 787532791 /nfs/dbraw/zinc/53/27/91/787532791.db2.gz XPVSAEXIHOETAZ-LBPRGKRZSA-N 1 0 346.453 -1.404 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147177079 787535045 /nfs/dbraw/zinc/53/50/45/787535045.db2.gz YDWMFIZANDZNMO-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147177080 787534594 /nfs/dbraw/zinc/53/45/94/787534594.db2.gz YDWMFIZANDZNMO-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001147177113 787533332 /nfs/dbraw/zinc/53/33/32/787533332.db2.gz YTLZDRRZZLBLNH-LLVKDONJSA-N 1 0 339.396 -2.481 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001147177120 787534064 /nfs/dbraw/zinc/53/40/64/787534064.db2.gz YTLZDRRZZLBLNH-NSHDSACASA-N 1 0 339.396 -2.481 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147177169 787533497 /nfs/dbraw/zinc/53/34/97/787533497.db2.gz ZIWKAYVVNIGCHC-JTQLQIEISA-N 1 0 327.385 -1.594 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147177171 787534187 /nfs/dbraw/zinc/53/41/87/787534187.db2.gz ZIWKAYVVNIGCHC-SNVBAGLBSA-N 1 0 327.385 -1.594 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147187179 787533342 /nfs/dbraw/zinc/53/33/42/787533342.db2.gz HMHKCFMIEPLINK-NXEZZACHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147187192 787533518 /nfs/dbraw/zinc/53/35/18/787533518.db2.gz HMHKCFMIEPLINK-VHSXEESVSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001147194937 787531715 /nfs/dbraw/zinc/53/17/15/787531715.db2.gz BQZYZWWXFJFEFI-CHWSQXEVSA-N 1 0 340.424 -1.287 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001147194938 787532507 /nfs/dbraw/zinc/53/25/07/787532507.db2.gz BQZYZWWXFJFEFI-OLZOCXBDSA-N 1 0 340.424 -1.287 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001147194939 787532008 /nfs/dbraw/zinc/53/20/08/787532008.db2.gz BQZYZWWXFJFEFI-QWHCGFSZSA-N 1 0 340.424 -1.287 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001147194940 787532214 /nfs/dbraw/zinc/53/22/14/787532214.db2.gz BQZYZWWXFJFEFI-STQMWFEESA-N 1 0 340.424 -1.287 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147195104 787532114 /nfs/dbraw/zinc/53/21/14/787532114.db2.gz DBRCWPKIYYYPQK-NXEZZACHSA-N 1 0 327.385 -1.595 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147195105 787532128 /nfs/dbraw/zinc/53/21/28/787532128.db2.gz DBRCWPKIYYYPQK-UWVGGRQHSA-N 1 0 327.385 -1.595 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147195106 787532904 /nfs/dbraw/zinc/53/29/04/787532904.db2.gz DBRCWPKIYYYPQK-VHSXEESVSA-N 1 0 327.385 -1.595 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147195107 787532625 /nfs/dbraw/zinc/53/26/25/787532625.db2.gz DBRCWPKIYYYPQK-ZJUUUORDSA-N 1 0 327.385 -1.595 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001147195188 787532929 /nfs/dbraw/zinc/53/29/29/787532929.db2.gz GFNYKSUJDZYPOQ-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001147195189 787532947 /nfs/dbraw/zinc/53/29/47/787532947.db2.gz GFNYKSUJDZYPOQ-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147195294 787532060 /nfs/dbraw/zinc/53/20/60/787532060.db2.gz IISOFSSXYLUNQB-JTQLQIEISA-N 1 0 325.369 -1.888 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147195295 787531892 /nfs/dbraw/zinc/53/18/92/787531892.db2.gz IISOFSSXYLUNQB-SNVBAGLBSA-N 1 0 325.369 -1.888 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147195334 787532460 /nfs/dbraw/zinc/53/24/60/787532460.db2.gz JGQWZWAPAQYHMK-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147195335 787532776 /nfs/dbraw/zinc/53/27/76/787532776.db2.gz JGQWZWAPAQYHMK-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001147195698 787532389 /nfs/dbraw/zinc/53/23/89/787532389.db2.gz PYNRBNUTLZHZHP-LLVKDONJSA-N 1 0 339.396 -1.498 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001147195699 787532398 /nfs/dbraw/zinc/53/23/98/787532398.db2.gz PYNRBNUTLZHZHP-NSHDSACASA-N 1 0 339.396 -1.498 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCOC1CCOCC1 ZINC001147209098 787532936 /nfs/dbraw/zinc/53/29/36/787532936.db2.gz ONJAJTZCTZLALL-UHFFFAOYSA-N 1 0 330.385 -1.267 20 0 EAADRO CCC(=O)NCC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001147225672 787534522 /nfs/dbraw/zinc/53/45/22/787534522.db2.gz RYRZBFPJJHFGON-LLVKDONJSA-N 1 0 336.392 -1.148 20 0 EAADRO CCC(=O)NCC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001147225673 787534261 /nfs/dbraw/zinc/53/42/61/787534261.db2.gz RYRZBFPJJHFGON-NSHDSACASA-N 1 0 336.392 -1.148 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCOC1CCOCC1 ZINC001147229984 787535070 /nfs/dbraw/zinc/53/50/70/787535070.db2.gz AJVCUCJHIUHUDE-UHFFFAOYSA-N 1 0 330.385 -1.137 20 0 EAADRO CCC(=O)NCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001147239653 787534217 /nfs/dbraw/zinc/53/42/17/787534217.db2.gz AJUBYSALZHQLFM-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO CCC(=O)NCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001147239665 787534427 /nfs/dbraw/zinc/53/44/27/787534427.db2.gz AJUBYSALZHQLFM-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCOC1CCOCC1 ZINC001147242838 787535273 /nfs/dbraw/zinc/53/52/73/787535273.db2.gz BBVMOHLBZZBDAS-UHFFFAOYSA-N 1 0 337.442 -1.173 20 0 EAADRO O=C(CCOC1CCOCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001147242945 787533958 /nfs/dbraw/zinc/53/39/58/787533958.db2.gz FBFFEFLFGLZIJC-UHFFFAOYSA-N 1 0 342.396 -1.170 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCOC1CCOCC1)C(=O)NC(N)=O ZINC001147243668 787535012 /nfs/dbraw/zinc/53/50/12/787535012.db2.gz ZVALFZJJIAHOEN-JTQLQIEISA-N 1 0 330.385 -1.139 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCOC1CCOCC1)C(=O)NC(N)=O ZINC001147243669 787534749 /nfs/dbraw/zinc/53/47/49/787534749.db2.gz ZVALFZJJIAHOEN-SNVBAGLBSA-N 1 0 330.385 -1.139 20 0 EAADRO COCCOCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001147250326 787533990 /nfs/dbraw/zinc/53/39/90/787533990.db2.gz IBVOROOKFBSWIB-LLVKDONJSA-N 1 0 342.396 -1.233 20 0 EAADRO COCCOCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001147250327 787533685 /nfs/dbraw/zinc/53/36/85/787533685.db2.gz IBVOROOKFBSWIB-NSHDSACASA-N 1 0 342.396 -1.233 20 0 EAADRO COCCOCC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001147251353 787534074 /nfs/dbraw/zinc/53/40/74/787534074.db2.gz WYOSVUAOWCWPCC-GFCCVEGCSA-N 1 0 339.392 -1.011 20 0 EAADRO COCCOCC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001147251361 787534019 /nfs/dbraw/zinc/53/40/19/787534019.db2.gz WYOSVUAOWCWPCC-LBPRGKRZSA-N 1 0 339.392 -1.011 20 0 EAADRO CCc1noc(COCC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001147257457 787533293 /nfs/dbraw/zinc/53/32/93/787533293.db2.gz HAYNVZHLDNTORX-SECBINFHSA-N 1 0 339.352 -1.340 20 0 EAADRO CCc1noc(COCC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001147257460 787533945 /nfs/dbraw/zinc/53/39/45/787533945.db2.gz HAYNVZHLDNTORX-VIFPVBQESA-N 1 0 339.352 -1.340 20 0 EAADRO CCc1noc(COCC(=O)NCC[NH2+]CCS(C)(=O)=O)n1 ZINC001147257942 787533610 /nfs/dbraw/zinc/53/36/10/787533610.db2.gz OSJFTMKEUQQZCP-UHFFFAOYSA-N 1 0 334.398 -1.101 20 0 EAADRO CCc1noc(COCC(=O)NCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001147257944 787535178 /nfs/dbraw/zinc/53/51/78/787535178.db2.gz OUAHSUCVWRVPGO-UHFFFAOYSA-N 1 0 328.329 -1.951 20 0 EAADRO CCc1noc(COCC(=O)NCC[NH2+]CC(=O)NC(=O)NC)n1 ZINC001147258005 787534675 /nfs/dbraw/zinc/53/46/75/787534675.db2.gz RLHRKFRZDWJGCH-UHFFFAOYSA-N 1 0 342.356 -1.690 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cc1nc[nH]n1)NC(=O)NCc1ccco1 ZINC001147263889 787536191 /nfs/dbraw/zinc/53/61/91/787536191.db2.gz AKLJPWVNIAQLSJ-UHFFFAOYSA-N 1 0 349.351 -1.328 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cc2nc[nH]n2)CC1 ZINC001147263978 787536364 /nfs/dbraw/zinc/53/63/64/787536364.db2.gz DFPRSCPNJXLGNU-UHFFFAOYSA-N 1 0 337.384 -2.223 20 0 EAADRO CCc1noc(COCC(=O)NCC[NH2+]CCN2CCNC2=O)n1 ZINC001147263991 787536909 /nfs/dbraw/zinc/53/69/09/787536909.db2.gz DPYKXRVECISAEV-UHFFFAOYSA-N 1 0 340.384 -1.120 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)Cc2nc[nH]n2)C1 ZINC001147264564 787537179 /nfs/dbraw/zinc/53/71/79/787537179.db2.gz KRKMDFVMPWTNMJ-JTQLQIEISA-N 1 0 330.414 -1.666 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)Cc2nc[nH]n2)C1 ZINC001147264567 787535970 /nfs/dbraw/zinc/53/59/70/787535970.db2.gz KRKMDFVMPWTNMJ-SNVBAGLBSA-N 1 0 330.414 -1.666 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001147264816 787535651 /nfs/dbraw/zinc/53/56/51/787535651.db2.gz PVLXVEPNXJEIAI-MRVPVSSYSA-N 1 0 325.291 -1.007 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001147264825 787536312 /nfs/dbraw/zinc/53/63/12/787536312.db2.gz PVLXVEPNXJEIAI-QMMMGPOBSA-N 1 0 325.291 -1.007 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147265023 787536395 /nfs/dbraw/zinc/53/63/95/787536395.db2.gz WAHNLQCWHRBGGS-UHFFFAOYSA-N 1 0 325.373 -1.465 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147265032 787535715 /nfs/dbraw/zinc/53/57/15/787535715.db2.gz WFFYTZJWERZFFO-UHFFFAOYSA-N 1 0 325.373 -1.323 20 0 EAADRO CCc1noc(COCC(=O)NCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001147265035 787536776 /nfs/dbraw/zinc/53/67/76/787536776.db2.gz WLMDDOPSCKGCDA-UHFFFAOYSA-N 1 0 349.413 -1.596 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147266103 787536810 /nfs/dbraw/zinc/53/68/10/787536810.db2.gz BVWONSSJAMKELR-UHFFFAOYSA-N 1 0 346.453 -1.275 20 0 EAADRO CN(CC[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1)S(C)(=O)=O ZINC001147266664 787535985 /nfs/dbraw/zinc/53/59/85/787535985.db2.gz HWGICLKLQAYPGD-UHFFFAOYSA-N 1 0 332.426 -1.713 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC001147271323 787536990 /nfs/dbraw/zinc/53/69/90/787536990.db2.gz AWYLBKKIPAYMGO-UHFFFAOYSA-N 1 0 349.395 -1.082 20 0 EAADRO Cc1nc(C)n(CCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)n1 ZINC001147271349 787536629 /nfs/dbraw/zinc/53/66/29/787536629.db2.gz CCJFPZXIODGBFO-SECBINFHSA-N 1 0 339.400 -1.036 20 0 EAADRO Cc1nc(C)n(CCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)n1 ZINC001147271350 787536763 /nfs/dbraw/zinc/53/67/63/787536763.db2.gz CCJFPZXIODGBFO-VIFPVBQESA-N 1 0 339.400 -1.036 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271398 787536170 /nfs/dbraw/zinc/53/61/70/787536170.db2.gz FDMHLYWPJAHNAM-JTQLQIEISA-N 1 0 339.400 -1.077 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271455 787535840 /nfs/dbraw/zinc/53/58/40/787535840.db2.gz FDMHLYWPJAHNAM-SNVBAGLBSA-N 1 0 339.400 -1.077 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2nc[nH]n2)C1 ZINC001147271469 787535997 /nfs/dbraw/zinc/53/59/97/787535997.db2.gz FQVMRJDACRNPRY-JTQLQIEISA-N 1 0 337.384 -2.223 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2nc[nH]n2)C1 ZINC001147271470 787537002 /nfs/dbraw/zinc/53/70/02/787537002.db2.gz FQVMRJDACRNPRY-SNVBAGLBSA-N 1 0 337.384 -2.223 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cc2nc[nH]n2)CC1 ZINC001147271513 787537189 /nfs/dbraw/zinc/53/71/89/787537189.db2.gz HDFZKWZGHGRTOC-UHFFFAOYSA-N 1 0 337.384 -2.256 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271542 787535831 /nfs/dbraw/zinc/53/58/31/787535831.db2.gz HXVMWVWCUAQFIP-UHFFFAOYSA-N 1 0 325.373 -1.321 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271559 787536849 /nfs/dbraw/zinc/53/68/49/787536849.db2.gz IMYOUTAFJPVFQG-UHFFFAOYSA-N 1 0 334.384 -1.555 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)cn1 ZINC001147271565 787536731 /nfs/dbraw/zinc/53/67/31/787536731.db2.gz ISXJMJHVLFVZNR-LLVKDONJSA-N 1 0 332.368 -1.408 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)cn1 ZINC001147271566 787537028 /nfs/dbraw/zinc/53/70/28/787537028.db2.gz ISXJMJHVLFVZNR-NSHDSACASA-N 1 0 332.368 -1.408 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271593 787536060 /nfs/dbraw/zinc/53/60/60/787536060.db2.gz KCZLVFQCUVHLQX-SECBINFHSA-N 1 0 325.373 -1.324 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271594 787537058 /nfs/dbraw/zinc/53/70/58/787537058.db2.gz KCZLVFQCUVHLQX-VIFPVBQESA-N 1 0 325.373 -1.324 20 0 EAADRO Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)cn1 ZINC001147271603 787537275 /nfs/dbraw/zinc/53/72/75/787537275.db2.gz KKNPUXYUUSOCBK-GFCCVEGCSA-N 1 0 346.395 -1.018 20 0 EAADRO Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)cn1 ZINC001147271604 787535878 /nfs/dbraw/zinc/53/58/78/787535878.db2.gz KKNPUXYUUSOCBK-LBPRGKRZSA-N 1 0 346.395 -1.018 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271631 787536862 /nfs/dbraw/zinc/53/68/62/787536862.db2.gz LLRKUWMZSNBOCF-UHFFFAOYSA-N 1 0 326.401 -1.016 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271663 787535756 /nfs/dbraw/zinc/53/57/56/787535756.db2.gz MKVNOQVXWUTMMW-UHFFFAOYSA-N 1 0 339.400 -1.962 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001147271722 787535978 /nfs/dbraw/zinc/53/59/78/787535978.db2.gz ORXJTIVWLAMREU-LLVKDONJSA-N 1 0 327.385 -1.391 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001147271723 787536645 /nfs/dbraw/zinc/53/66/45/787536645.db2.gz ORXJTIVWLAMREU-NSHDSACASA-N 1 0 327.385 -1.391 20 0 EAADRO Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)n(C)n1 ZINC001147271776 787536079 /nfs/dbraw/zinc/53/60/79/787536079.db2.gz QTMFMNKWEZOHSN-LLVKDONJSA-N 1 0 346.395 -1.100 20 0 EAADRO Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)n(C)n1 ZINC001147271777 787536791 /nfs/dbraw/zinc/53/67/91/787536791.db2.gz QTMFMNKWEZOHSN-NSHDSACASA-N 1 0 346.395 -1.100 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001147271796 787536263 /nfs/dbraw/zinc/53/62/63/787536263.db2.gz RWRLHSVMQRIXDJ-NEPJUHHUSA-N 1 0 327.385 -1.391 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001147271797 787535803 /nfs/dbraw/zinc/53/58/03/787535803.db2.gz RWRLHSVMQRIXDJ-NWDGAFQWSA-N 1 0 327.385 -1.391 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001147271798 787536155 /nfs/dbraw/zinc/53/61/55/787536155.db2.gz RWRLHSVMQRIXDJ-RYUDHWBXSA-N 1 0 327.385 -1.391 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001147271799 787536615 /nfs/dbraw/zinc/53/66/15/787536615.db2.gz RWRLHSVMQRIXDJ-VXGBXAGGSA-N 1 0 327.385 -1.391 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271821 787535905 /nfs/dbraw/zinc/53/59/05/787535905.db2.gz UGFGWKQDWHWWMF-UHFFFAOYSA-N 1 0 348.429 -1.991 20 0 EAADRO Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)n1 ZINC001147271873 787536511 /nfs/dbraw/zinc/53/65/11/787536511.db2.gz VZQUHKDBHKSGMG-LLVKDONJSA-N 1 0 346.395 -1.018 20 0 EAADRO Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)n1 ZINC001147271874 787536928 /nfs/dbraw/zinc/53/69/28/787536928.db2.gz VZQUHKDBHKSGMG-NSHDSACASA-N 1 0 346.395 -1.018 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271922 787535687 /nfs/dbraw/zinc/53/56/87/787535687.db2.gz XRNCASBAXPRWEX-LLVKDONJSA-N 1 0 326.401 -1.016 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271923 787536657 /nfs/dbraw/zinc/53/66/57/787536657.db2.gz XRNCASBAXPRWEX-NSHDSACASA-N 1 0 326.401 -1.016 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271943 787535747 /nfs/dbraw/zinc/53/57/47/787535747.db2.gz YCFQNUSIGWJYTQ-UHFFFAOYSA-N 1 0 333.414 -1.496 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)n1 ZINC001147271944 787537127 /nfs/dbraw/zinc/53/71/27/787537127.db2.gz YCLCUJAXXPWXLA-JTQLQIEISA-N 1 0 332.368 -1.408 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)Cc3nc[nH]n3)C2=O)n1 ZINC001147271945 787536680 /nfs/dbraw/zinc/53/66/80/787536680.db2.gz YCLCUJAXXPWXLA-SNVBAGLBSA-N 1 0 332.368 -1.408 20 0 EAADRO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274384 787537116 /nfs/dbraw/zinc/53/71/16/787537116.db2.gz LQNQZWSGBPVRBA-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO COCCCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274386 787536276 /nfs/dbraw/zinc/53/62/76/787536276.db2.gz LQNQZWSGBPVRBA-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274820 787536824 /nfs/dbraw/zinc/53/68/24/787536824.db2.gz UIFLFWMUXZSDME-CHWSQXEVSA-N 1 0 343.424 -1.192 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274822 787535919 /nfs/dbraw/zinc/53/59/19/787535919.db2.gz UIFLFWMUXZSDME-OLZOCXBDSA-N 1 0 343.424 -1.192 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274824 787536413 /nfs/dbraw/zinc/53/64/13/787536413.db2.gz UIFLFWMUXZSDME-QWHCGFSZSA-N 1 0 343.424 -1.192 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274825 787537205 /nfs/dbraw/zinc/53/72/05/787537205.db2.gz UIFLFWMUXZSDME-STQMWFEESA-N 1 0 343.424 -1.192 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274910 787536838 /nfs/dbraw/zinc/53/68/38/787536838.db2.gz YBBHHNCUCLAQBK-GFCCVEGCSA-N 1 0 329.397 -1.580 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274911 787537168 /nfs/dbraw/zinc/53/71/68/787537168.db2.gz YBBHHNCUCLAQBK-LBPRGKRZSA-N 1 0 329.397 -1.580 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274914 787536380 /nfs/dbraw/zinc/53/63/80/787536380.db2.gz YHROWLMIGIRBDT-UHFFFAOYSA-N 1 0 326.397 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/nfs/dbraw/zinc/53/85/80/787538580.db2.gz GXQATRDNAKRIFZ-LLVKDONJSA-N 1 0 331.438 -1.005 20 0 EAADRO CN(C)C(=O)C1(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001147307173 787538259 /nfs/dbraw/zinc/53/82/59/787538259.db2.gz GXQATRDNAKRIFZ-NSHDSACASA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147307971 787538644 /nfs/dbraw/zinc/53/86/44/787538644.db2.gz QVNXIROWXIZRAQ-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147308346 787538697 /nfs/dbraw/zinc/53/86/97/787538697.db2.gz VFEJMCCTBDLOMC-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CN(C)C(=O)C1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001147308451 787538001 /nfs/dbraw/zinc/53/80/01/787538001.db2.gz WMLKLLMVYAXCML-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO NC(=O)NC(=O)CN1CCC2(CN(C(=O)CCc3nnc[nH]3)C2)C1 ZINC001147311371 787538396 /nfs/dbraw/zinc/53/83/96/787538396.db2.gz MNWIZNYPSUTVTH-UHFFFAOYSA-N 1 0 335.368 -1.534 20 0 EAADRO CN(C)C(=O)C1(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CC1 ZINC001147314000 787538665 /nfs/dbraw/zinc/53/86/65/787538665.db2.gz KRSYMZDCKXWRTR-UHFFFAOYSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(C)C(=O)C1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001147314060 787537946 /nfs/dbraw/zinc/53/79/46/787537946.db2.gz NIPAJNPLUZHYSS-UHFFFAOYSA-N 1 0 325.369 -1.888 20 0 EAADRO CN(C)C(=O)C1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001147314233 787537803 /nfs/dbraw/zinc/53/78/03/787537803.db2.gz WGUIZVCCWFQEQL-UHFFFAOYSA-N 1 0 339.396 -1.498 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147320467 787537877 /nfs/dbraw/zinc/53/78/77/787537877.db2.gz FYDUHNRYXHOWNU-CHWSQXEVSA-N 1 0 346.428 -1.351 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147320468 787538093 /nfs/dbraw/zinc/53/80/93/787538093.db2.gz FYDUHNRYXHOWNU-OLZOCXBDSA-N 1 0 346.428 -1.351 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147320469 787537791 /nfs/dbraw/zinc/53/77/91/787537791.db2.gz FYDUHNRYXHOWNU-QWHCGFSZSA-N 1 0 346.428 -1.351 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147320470 787538596 /nfs/dbraw/zinc/53/85/96/787538596.db2.gz FYDUHNRYXHOWNU-STQMWFEESA-N 1 0 346.428 -1.351 20 0 EAADRO NC(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001147321313 787538099 /nfs/dbraw/zinc/53/80/99/787538099.db2.gz OLHSMXWFTWEOCA-JTQLQIEISA-N 1 0 340.384 -1.823 20 0 EAADRO NC(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001147321314 787538899 /nfs/dbraw/zinc/53/88/99/787538899.db2.gz OLHSMXWFTWEOCA-SNVBAGLBSA-N 1 0 340.384 -1.823 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321315 787538201 /nfs/dbraw/zinc/53/82/01/787538201.db2.gz OPNCCKMKBALSDU-CYBMUJFWSA-N 1 0 343.428 -1.222 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321316 787538582 /nfs/dbraw/zinc/53/85/82/787538582.db2.gz OPNCCKMKBALSDU-ZDUSSCGKSA-N 1 0 343.428 -1.222 20 0 EAADRO NC(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001147321343 787538742 /nfs/dbraw/zinc/53/87/42/787538742.db2.gz PAXHWRFQPJADPR-LLVKDONJSA-N 1 0 326.401 -1.349 20 0 EAADRO NC(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001147321344 787539844 /nfs/dbraw/zinc/53/98/44/787539844.db2.gz PAXHWRFQPJADPR-NSHDSACASA-N 1 0 326.401 -1.349 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321345 787540432 /nfs/dbraw/zinc/54/04/32/787540432.db2.gz PBDJOVBTBNCGTG-NXEZZACHSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321346 787539436 /nfs/dbraw/zinc/53/94/36/787539436.db2.gz PBDJOVBTBNCGTG-UWVGGRQHSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321347 787539684 /nfs/dbraw/zinc/53/96/84/787539684.db2.gz PBDJOVBTBNCGTG-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321348 787540305 /nfs/dbraw/zinc/54/03/05/787540305.db2.gz PBDJOVBTBNCGTG-ZJUUUORDSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321817 787540081 /nfs/dbraw/zinc/54/00/81/787540081.db2.gz SLXCKRXMWVXSSH-SECBINFHSA-N 1 0 328.373 -1.919 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321818 787540695 /nfs/dbraw/zinc/54/06/95/787540695.db2.gz SLXCKRXMWVXSSH-VIFPVBQESA-N 1 0 328.373 -1.919 20 0 EAADRO NC(=O)NC(=O)CN1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001147324888 787538852 /nfs/dbraw/zinc/53/88/52/787538852.db2.gz QBVAEWNGSMRVDF-JTQLQIEISA-N 1 0 337.380 -1.758 20 0 EAADRO NC(=O)NC(=O)CN1CCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001147324889 787538181 /nfs/dbraw/zinc/53/81/81/787538181.db2.gz QBVAEWNGSMRVDF-SNVBAGLBSA-N 1 0 337.380 -1.758 20 0 EAADRO NC(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001147327524 787538325 /nfs/dbraw/zinc/53/83/25/787538325.db2.gz ACDSONYDGJRROY-CHWSQXEVSA-N 1 0 338.412 -1.117 20 0 EAADRO NC(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001147327525 787538154 /nfs/dbraw/zinc/53/81/54/787538154.db2.gz ACDSONYDGJRROY-OLZOCXBDSA-N 1 0 338.412 -1.117 20 0 EAADRO NC(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001147327526 787537713 /nfs/dbraw/zinc/53/77/13/787537713.db2.gz ACDSONYDGJRROY-QWHCGFSZSA-N 1 0 338.412 -1.117 20 0 EAADRO NC(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001147327527 787537956 /nfs/dbraw/zinc/53/79/56/787537956.db2.gz ACDSONYDGJRROY-STQMWFEESA-N 1 0 338.412 -1.117 20 0 EAADRO NC(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001147328304 787538593 /nfs/dbraw/zinc/53/85/93/787538593.db2.gz SJMMTRSAKYJQGE-LLVKDONJSA-N 1 0 339.396 -1.226 20 0 EAADRO NC(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001147328305 787538283 /nfs/dbraw/zinc/53/82/83/787538283.db2.gz SJMMTRSAKYJQGE-NSHDSACASA-N 1 0 339.396 -1.226 20 0 EAADRO NC(=O)NC(=O)CN1CCC2(CN(C(=O)C[C@@H]3COC(=O)C3)C2)C1 ZINC001147329568 787537767 /nfs/dbraw/zinc/53/77/67/787537767.db2.gz ZUQVTWKDZIAXIO-JTQLQIEISA-N 1 0 338.364 -1.331 20 0 EAADRO NC(=O)NC(=O)CN1CCC2(CN(C(=O)C[C@H]3COC(=O)C3)C2)C1 ZINC001147329569 787538531 /nfs/dbraw/zinc/53/85/31/787538531.db2.gz ZUQVTWKDZIAXIO-SNVBAGLBSA-N 1 0 338.364 -1.331 20 0 EAADRO C[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)n1cncn1 ZINC001147354271 787540496 /nfs/dbraw/zinc/54/04/96/787540496.db2.gz GNGKPDDMYNRBSG-GHMZBOCLSA-N 1 0 349.395 -1.043 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H](C)n3cncn3)C2)C1 ZINC001147354272 787539446 /nfs/dbraw/zinc/53/94/46/787539446.db2.gz GNGKPDDMYNRBSG-MNOVXSKESA-N 1 0 349.395 -1.043 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)n1cncn1 ZINC001147354273 787540170 /nfs/dbraw/zinc/54/01/70/787540170.db2.gz GNGKPDDMYNRBSG-QWRGUYRKSA-N 1 0 349.395 -1.043 20 0 EAADRO C[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)n1cncn1 ZINC001147354274 787539347 /nfs/dbraw/zinc/53/93/47/787539347.db2.gz GNGKPDDMYNRBSG-WDEREUQCSA-N 1 0 349.395 -1.043 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001147354312 787540137 /nfs/dbraw/zinc/54/01/37/787540137.db2.gz HSBULHGZOIXJOJ-KBPBESRZSA-N 1 0 327.425 -1.141 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001147354313 787540326 /nfs/dbraw/zinc/54/03/26/787540326.db2.gz HSBULHGZOIXJOJ-KGLIPLIRSA-N 1 0 327.425 -1.141 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001147354314 787539556 /nfs/dbraw/zinc/53/95/56/787539556.db2.gz HSBULHGZOIXJOJ-UONOGXRCSA-N 1 0 327.425 -1.141 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001147354315 787540043 /nfs/dbraw/zinc/54/00/43/787540043.db2.gz HSBULHGZOIXJOJ-ZIAGYGMSSA-N 1 0 327.425 -1.141 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147354571 787539765 /nfs/dbraw/zinc/53/97/65/787539765.db2.gz JDSPYXYBCLDNGP-AWEZNQCLSA-N 1 0 327.425 -1.140 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147354572 787539885 /nfs/dbraw/zinc/53/98/85/787539885.db2.gz JDSPYXYBCLDNGP-CQSZACIVSA-N 1 0 327.425 -1.140 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001147355105 787540188 /nfs/dbraw/zinc/54/01/88/787540188.db2.gz PXAHNYKJGSNQJX-LLVKDONJSA-N 1 0 325.369 -1.475 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001147355107 787540610 /nfs/dbraw/zinc/54/06/10/787540610.db2.gz PXAHNYKJGSNQJX-NSHDSACASA-N 1 0 325.369 -1.475 20 0 EAADRO O=C(CN1CCOCC1)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147355194 787540662 /nfs/dbraw/zinc/54/06/62/787540662.db2.gz QTKIVOMSXABWBO-UHFFFAOYSA-N 1 0 327.425 -1.138 20 0 EAADRO O=C(CN1CN=NC1=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147356340 787539522 /nfs/dbraw/zinc/53/95/22/787539522.db2.gz XCSAGENWZIQEOM-UHFFFAOYSA-N 1 0 325.369 -1.473 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001147356402 787539872 /nfs/dbraw/zinc/53/98/72/787539872.db2.gz XTBPRFSCVZHRKJ-AWEZNQCLSA-N 1 0 327.425 -1.140 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001147356403 787540510 /nfs/dbraw/zinc/54/05/10/787540510.db2.gz XTBPRFSCVZHRKJ-CQSZACIVSA-N 1 0 327.425 -1.140 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147359573 787540423 /nfs/dbraw/zinc/54/04/23/787540423.db2.gz SNPRAKKJFSOMGC-GFCCVEGCSA-N 1 0 343.428 -1.222 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147359574 787539404 /nfs/dbraw/zinc/53/94/04/787539404.db2.gz SNPRAKKJFSOMGC-LBPRGKRZSA-N 1 0 343.428 -1.222 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001147363434 787539467 /nfs/dbraw/zinc/53/94/67/787539467.db2.gz AIYLXPCHOCMMKL-NEPJUHHUSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001147363435 787539503 /nfs/dbraw/zinc/53/95/03/787539503.db2.gz AIYLXPCHOCMMKL-VXGBXAGGSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001147363436 787540552 /nfs/dbraw/zinc/54/05/52/787540552.db2.gz AJVKHVDBANPWJR-NXEZZACHSA-N 1 0 338.372 -2.838 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001147363437 787540468 /nfs/dbraw/zinc/54/04/68/787540468.db2.gz AJVKHVDBANPWJR-ZJUUUORDSA-N 1 0 338.372 -2.838 20 0 EAADRO Cc1ncccc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363438 787540157 /nfs/dbraw/zinc/54/01/57/787540157.db2.gz AMNLQYUIYNORIQ-GFCCVEGCSA-N 1 0 346.395 -1.213 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOCC1CC1 ZINC001147363439 787540319 /nfs/dbraw/zinc/54/03/19/787540319.db2.gz ANTANXDYTDVCSO-LLVKDONJSA-N 1 0 339.400 -1.690 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)o1 ZINC001147363450 787540652 /nfs/dbraw/zinc/54/06/52/787540652.db2.gz BBQZHXHVDYJCRT-SECBINFHSA-N 1 0 336.356 -1.620 20 0 EAADRO Cc1cccnc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363462 787540415 /nfs/dbraw/zinc/54/04/15/787540415.db2.gz BTOXVFJFAVWPMN-GFCCVEGCSA-N 1 0 346.395 -1.213 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001147363465 787539565 /nfs/dbraw/zinc/53/95/65/787539565.db2.gz BUDLJNDCGSYKIA-LLVKDONJSA-N 1 0 349.399 -2.140 20 0 EAADRO CC(C)OCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363480 787540718 /nfs/dbraw/zinc/54/07/18/787540718.db2.gz CSBDWIFKLOVWNW-LLVKDONJSA-N 1 0 327.389 -1.691 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cncs1 ZINC001147363483 787540012 /nfs/dbraw/zinc/54/00/12/787540012.db2.gz CWWSHYIKPIPHIW-SECBINFHSA-N 1 0 338.397 -1.460 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cccnc1 ZINC001147363485 787540354 /nfs/dbraw/zinc/54/03/54/787540354.db2.gz DDIFWUFWQHLMBJ-LLVKDONJSA-N 1 0 332.368 -1.521 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001147363500 787540581 /nfs/dbraw/zinc/54/05/81/787540581.db2.gz DXYPSRPHVHBMAE-SNVBAGLBSA-N 1 0 336.360 -2.825 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001147363515 787540456 /nfs/dbraw/zinc/54/04/56/787540456.db2.gz FTWUKFNJJYOXFP-SNVBAGLBSA-N 1 0 338.372 -2.884 20 0 EAADRO CCOCCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363516 787539908 /nfs/dbraw/zinc/53/99/08/787539908.db2.gz FVOMBSZDMONVSN-LLVKDONJSA-N 1 0 327.389 -1.690 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001147363518 787539474 /nfs/dbraw/zinc/53/94/74/787539474.db2.gz FXAJITKJQNAGFT-NEPJUHHUSA-N 1 0 339.400 -1.690 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001147363520 787539581 /nfs/dbraw/zinc/53/95/81/787539581.db2.gz FXAJITKJQNAGFT-VXGBXAGGSA-N 1 0 339.400 -1.690 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363530 787539389 /nfs/dbraw/zinc/53/93/89/787539389.db2.gz GEHJXHFWHIYVRU-DTWKUNHWSA-N 1 0 326.361 -2.982 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363532 787540380 /nfs/dbraw/zinc/54/03/80/787540380.db2.gz GEHJXHFWHIYVRU-RKDXNWHRSA-N 1 0 326.361 -2.982 20 0 EAADRO Cc1oncc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363534 787540339 /nfs/dbraw/zinc/54/03/39/787540339.db2.gz GEIBMZQBDMHAPC-SECBINFHSA-N 1 0 336.356 -1.620 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363536 787540743 /nfs/dbraw/zinc/54/07/43/787540743.db2.gz GEUUYAPZDVIOOP-NXEZZACHSA-N 1 0 329.361 -3.109 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363538 787539550 /nfs/dbraw/zinc/53/95/50/787539550.db2.gz GEUUYAPZDVIOOP-ZJUUUORDSA-N 1 0 329.361 -3.109 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(-c2nccs2)c1 ZINC001147363638 787539537 /nfs/dbraw/zinc/53/95/37/787539537.db2.gz GPEXTBGWZBYYJL-UHFFFAOYSA-N 1 0 337.365 -1.157 20 0 EAADRO Cc1ncoc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363640 787540727 /nfs/dbraw/zinc/54/07/27/787540727.db2.gz GVZPTDPOABRSRT-SNVBAGLBSA-N 1 0 336.356 -1.620 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cncn1C ZINC001147363652 787539620 /nfs/dbraw/zinc/53/96/20/787539620.db2.gz HFYGUESEFLLGPG-SNVBAGLBSA-N 1 0 335.372 -2.183 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCn1cccn1 ZINC001147363656 787539928 /nfs/dbraw/zinc/53/99/28/787539928.db2.gz HKPDISBVTRHCKO-LLVKDONJSA-N 1 0 335.372 -2.220 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363659 787539821 /nfs/dbraw/zinc/53/98/21/787539821.db2.gz HRXVPERFWAMOMF-GHMZBOCLSA-N 1 0 327.389 -1.955 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCC[C@H](C)O ZINC001147363660 787539675 /nfs/dbraw/zinc/53/96/75/787539675.db2.gz HRXVPERFWAMOMF-WDEREUQCSA-N 1 0 327.389 -1.955 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001147363666 787540264 /nfs/dbraw/zinc/54/02/64/787540264.db2.gz IEULKSLWMWTNFW-NEPJUHHUSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001147363667 787540750 /nfs/dbraw/zinc/54/07/50/787540750.db2.gz IEULKSLWMWTNFW-VXGBXAGGSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147363670 787540628 /nfs/dbraw/zinc/54/06/28/787540628.db2.gz IKYPSJNXVDYUIY-SSDOTTSWSA-N 1 0 341.332 -3.922 20 0 EAADRO Cc1cc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)ncn1 ZINC001147363674 787539829 /nfs/dbraw/zinc/53/98/29/787539829.db2.gz IPVCUVJOSRLZRI-LLVKDONJSA-N 1 0 347.383 -1.818 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccns1 ZINC001147363676 787539507 /nfs/dbraw/zinc/53/95/07/787539507.db2.gz ISKHDZFRQXSKNF-SECBINFHSA-N 1 0 338.397 -1.460 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001147363685 787539793 /nfs/dbraw/zinc/53/97/93/787539793.db2.gz JGCNQKDQDUKXRU-SECBINFHSA-N 1 0 326.361 -3.028 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363686 787539992 /nfs/dbraw/zinc/53/99/92/787539992.db2.gz JGWXBRQXIUDUSE-SNVBAGLBSA-N 1 0 340.388 -2.590 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOC1CCC1 ZINC001147363694 787539916 /nfs/dbraw/zinc/53/99/16/787539916.db2.gz JQFLEAQDQSXBHZ-LLVKDONJSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001147363708 787541330 /nfs/dbraw/zinc/54/13/30/787541330.db2.gz JZUGTWQHLKZZBU-SECBINFHSA-N 1 0 336.360 -2.788 20 0 EAADRO CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363715 787541678 /nfs/dbraw/zinc/54/16/78/787541678.db2.gz KIPBMUZYOGBUHE-SECBINFHSA-N 1 0 326.361 -2.980 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001147363726 787541342 /nfs/dbraw/zinc/54/13/42/787541342.db2.gz KMYCINZYJVSKDR-NXEZZACHSA-N 1 0 338.372 -2.886 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001147363728 787542370 /nfs/dbraw/zinc/54/23/70/787542370.db2.gz KMYCINZYJVSKDR-ZJUUUORDSA-N 1 0 338.372 -2.886 20 0 EAADRO Cc1cc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)on1 ZINC001147363746 787541866 /nfs/dbraw/zinc/54/18/66/787541866.db2.gz KUWLABCDBLRPSU-SNVBAGLBSA-N 1 0 336.356 -1.620 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001147363932 787541693 /nfs/dbraw/zinc/54/16/93/787541693.db2.gz LGRWOMSJWPFSNQ-SECBINFHSA-N 1 0 347.401 -3.072 20 0 EAADRO Cc1cnc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)cn1 ZINC001147363937 787541636 /nfs/dbraw/zinc/54/16/36/787541636.db2.gz LRXSREHTJBOBPR-LLVKDONJSA-N 1 0 347.383 -1.818 20 0 EAADRO CC[C@H](C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)OC ZINC001147363938 787541936 /nfs/dbraw/zinc/54/19/36/787541936.db2.gz LSXOUZUEAIOBLV-GHMZBOCLSA-N 1 0 327.389 -1.691 20 0 EAADRO CC[C@@H](C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)OC ZINC001147363939 787541296 /nfs/dbraw/zinc/54/12/96/787541296.db2.gz LSXOUZUEAIOBLV-MNOVXSKESA-N 1 0 327.389 -1.691 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccccn1 ZINC001147363946 787542297 /nfs/dbraw/zinc/54/22/97/787542297.db2.gz LXCOZKUTCRMJJS-LLVKDONJSA-N 1 0 332.368 -1.521 20 0 EAADRO Cc1nccnc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363951 787541729 /nfs/dbraw/zinc/54/17/29/787541729.db2.gz MEETZDZYCQEHJU-LLVKDONJSA-N 1 0 347.383 -1.818 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001147363954 787541113 /nfs/dbraw/zinc/54/11/13/787541113.db2.gz MKAOYEJHNIVPOE-SECBINFHSA-N 1 0 345.354 -1.071 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363967 787541093 /nfs/dbraw/zinc/54/10/93/787541093.db2.gz MQTZDWSFUNMJKP-SNVBAGLBSA-N 1 0 340.388 -2.638 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)cn1 ZINC001147363996 787542330 /nfs/dbraw/zinc/54/23/30/787542330.db2.gz OBZQTJXSZMJXMS-SNVBAGLBSA-N 1 0 347.383 -1.818 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001147364003 787542318 /nfs/dbraw/zinc/54/23/18/787542318.db2.gz OLGKIDBIDSQQQE-GHMZBOCLSA-N 1 0 347.383 -1.565 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001147364004 787542363 /nfs/dbraw/zinc/54/23/63/787542363.db2.gz OLGKIDBIDSQQQE-WDEREUQCSA-N 1 0 347.383 -1.565 20 0 EAADRO Cc1ccncc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364014 787541819 /nfs/dbraw/zinc/54/18/19/787541819.db2.gz OWGQEJMDOPREHI-GFCCVEGCSA-N 1 0 346.395 -1.213 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOCC(F)F ZINC001147364336 787541808 /nfs/dbraw/zinc/54/18/08/787541808.db2.gz RHBNKKOXZQGZBR-SECBINFHSA-N 1 0 349.342 -1.835 20 0 EAADRO COCCCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364341 787542272 /nfs/dbraw/zinc/54/22/72/787542272.db2.gz RKOKITNSHJQGPZ-LLVKDONJSA-N 1 0 327.389 -1.690 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001147364348 787542260 /nfs/dbraw/zinc/54/22/60/787542260.db2.gz RRFFQOBDUNTFTI-LLVKDONJSA-N 1 0 339.400 -1.690 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001147364355 787542321 /nfs/dbraw/zinc/54/23/21/787542321.db2.gz RUTYOFIASILNDQ-SECBINFHSA-N 1 0 338.372 -2.838 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001147364373 787542265 /nfs/dbraw/zinc/54/22/65/787542265.db2.gz SGFJVZCPUGKBPY-SNVBAGLBSA-N 1 0 335.372 -2.183 20 0 EAADRO CC(C)OCCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364389 787541563 /nfs/dbraw/zinc/54/15/63/787541563.db2.gz TTWISXPJDXOGME-GFCCVEGCSA-N 1 0 341.416 -1.301 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364395 787541524 /nfs/dbraw/zinc/54/15/24/787541524.db2.gz UAUSQSOOAHZUNP-SNVBAGLBSA-N 1 0 340.388 -2.592 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001147364400 787541920 /nfs/dbraw/zinc/54/19/20/787541920.db2.gz UINYTJFTEMFZCI-NXEZZACHSA-N 1 0 340.388 -2.640 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001147364401 787542291 /nfs/dbraw/zinc/54/22/91/787542291.db2.gz UINYTJFTEMFZCI-ZJUUUORDSA-N 1 0 340.388 -2.640 20 0 EAADRO Cc1nocc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364402 787542283 /nfs/dbraw/zinc/54/22/83/787542283.db2.gz UIOGOFIVLJNMFA-SNVBAGLBSA-N 1 0 336.356 -1.620 20 0 EAADRO CCCCOCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364404 787541665 /nfs/dbraw/zinc/54/16/65/787541665.db2.gz UKSVHLKKURFNDL-GFCCVEGCSA-N 1 0 341.416 -1.300 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364416 787542184 /nfs/dbraw/zinc/54/21/84/787542184.db2.gz VCCAMMAMBOLMEF-LLVKDONJSA-N 1 0 349.399 -1.874 20 0 EAADRO CC(C)COCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364433 787542308 /nfs/dbraw/zinc/54/23/08/787542308.db2.gz VRFUPMFVWFZFJP-GFCCVEGCSA-N 1 0 341.416 -1.444 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCc1ccnn1C ZINC001147364434 787542060 /nfs/dbraw/zinc/54/20/60/787542060.db2.gz VRPJQFQCRZUPEO-LLVKDONJSA-N 1 0 349.399 -2.140 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCC(F)(F)F ZINC001147364440 787541624 /nfs/dbraw/zinc/54/16/24/787541624.db2.gz VWXKWINSHPFKKW-MRVPVSSYSA-N 1 0 337.306 -1.164 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001147364449 787542336 /nfs/dbraw/zinc/54/23/36/787542336.db2.gz WCDBQNIRKGJKLL-GHMZBOCLSA-N 1 0 325.373 -2.080 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001147364450 787541270 /nfs/dbraw/zinc/54/12/70/787541270.db2.gz WCDBQNIRKGJKLL-MNOVXSKESA-N 1 0 325.373 -2.080 20 0 EAADRO Cc1cncc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)c1 ZINC001147364474 787541715 /nfs/dbraw/zinc/54/17/15/787541715.db2.gz WWOYUDZJHDIORO-GFCCVEGCSA-N 1 0 346.395 -1.213 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001147364476 787542325 /nfs/dbraw/zinc/54/23/25/787542325.db2.gz WYBPMTXBAGAAAW-NEPJUHHUSA-N 1 0 339.400 -1.690 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001147364477 787541880 /nfs/dbraw/zinc/54/18/80/787541880.db2.gz WYBPMTXBAGAAAW-VXGBXAGGSA-N 1 0 339.400 -1.690 20 0 EAADRO CC[C@H]([NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(N)=O ZINC001147364491 787541650 /nfs/dbraw/zinc/54/16/50/787541650.db2.gz XTWVBVCSXNQSQM-BDAKNGLRSA-N 1 0 326.361 -2.853 20 0 EAADRO CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(N)=O ZINC001147364492 787541850 /nfs/dbraw/zinc/54/18/50/787541850.db2.gz XTWVBVCSXNQSQM-RKDXNWHRSA-N 1 0 326.361 -2.853 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]CCOCCO ZINC001147364495 787542033 /nfs/dbraw/zinc/54/20/33/787542033.db2.gz XXZRPCAMHJDPQB-SNVBAGLBSA-N 1 0 329.361 -3.108 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147364499 787542340 /nfs/dbraw/zinc/54/23/40/787542340.db2.gz YCXXOJYHCMAZAE-JTQLQIEISA-N 1 0 342.400 -1.529 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147364500 787542044 /nfs/dbraw/zinc/54/20/44/787542044.db2.gz YCXXOJYHCMAZAE-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccnn1C ZINC001147364511 787542377 /nfs/dbraw/zinc/54/23/77/787542377.db2.gz YHZWCSQYHFAYLJ-SNVBAGLBSA-N 1 0 335.372 -2.183 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364561 787542310 /nfs/dbraw/zinc/54/23/10/787542310.db2.gz ZLDRPSIYAZSWOE-LLVKDONJSA-N 1 0 343.388 -2.453 20 0 EAADRO COCCCCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364567 787542338 /nfs/dbraw/zinc/54/23/38/787542338.db2.gz ZVGHPPFMIKOZGA-GFCCVEGCSA-N 1 0 341.416 -1.300 20 0 EAADRO Cn1cc(-c2n[nH]cc2C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001147368534 787541417 /nfs/dbraw/zinc/54/14/17/787541417.db2.gz AFOMKOZZUCSOKP-LLVKDONJSA-N 1 0 345.363 -1.065 20 0 EAADRO Cn1cc(-c2n[nH]cc2C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001147368535 787542303 /nfs/dbraw/zinc/54/23/03/787542303.db2.gz AFOMKOZZUCSOKP-NSHDSACASA-N 1 0 345.363 -1.065 20 0 EAADRO Cn1cc(-c2n[nH]cc2C(=O)NCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001147368629 787541963 /nfs/dbraw/zinc/54/19/63/787541963.db2.gz GBAXKCBQOFCEOQ-UHFFFAOYSA-N 1 0 334.340 -1.676 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1c[nH]nc1-c1cnn(C)c1)C(=O)NC(N)=O ZINC001147369241 787541611 /nfs/dbraw/zinc/54/16/11/787541611.db2.gz ORAAAVXAQAMOKY-MRVPVSSYSA-N 1 0 348.367 -1.287 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1c[nH]nc1-c1cnn(C)c1)C(=O)NC(N)=O ZINC001147369248 787541121 /nfs/dbraw/zinc/54/11/21/787541121.db2.gz ORAAAVXAQAMOKY-QMMMGPOBSA-N 1 0 348.367 -1.287 20 0 EAADRO C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147376698 787541177 /nfs/dbraw/zinc/54/11/77/787541177.db2.gz KGSXOVDTKZKOSM-SECBINFHSA-N 1 0 329.401 -1.172 20 0 EAADRO C[C@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147376699 787543747 /nfs/dbraw/zinc/54/37/47/787543747.db2.gz KGSXOVDTKZKOSM-VIFPVBQESA-N 1 0 329.401 -1.172 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001147377876 787544270 /nfs/dbraw/zinc/54/42/70/787544270.db2.gz SJMDUAXYFNZUGI-UHFFFAOYSA-N 1 0 336.396 -1.890 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001147382157 787544550 /nfs/dbraw/zinc/54/45/50/787544550.db2.gz BOUJOKGSYOSLNM-UHFFFAOYSA-N 1 0 337.336 -1.626 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2c([nH]c1=O)CCOC2 ZINC001147382341 787544459 /nfs/dbraw/zinc/54/44/59/787544459.db2.gz FKPXKCQXVVGGHV-GFCCVEGCSA-N 1 0 348.359 -1.016 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc2c([nH]c1=O)CCOC2 ZINC001147382342 787543541 /nfs/dbraw/zinc/54/35/41/787543541.db2.gz FKPXKCQXVVGGHV-LBPRGKRZSA-N 1 0 348.359 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001147382368 787543839 /nfs/dbraw/zinc/54/38/39/787543839.db2.gz FRGJILAASKYBOL-UHFFFAOYSA-N 1 0 348.367 -1.415 20 0 EAADRO CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001147386378 787542770 /nfs/dbraw/zinc/54/27/70/787542770.db2.gz BMDYJXFJUFREET-LLVKDONJSA-N 1 0 336.392 -1.148 20 0 EAADRO CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001147386379 787543195 /nfs/dbraw/zinc/54/31/95/787543195.db2.gz BMDYJXFJUFREET-NSHDSACASA-N 1 0 336.392 -1.148 20 0 EAADRO CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001147386909 787544473 /nfs/dbraw/zinc/54/44/73/787544473.db2.gz MADMILYJUFMHTI-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001147386911 787543864 /nfs/dbraw/zinc/54/38/64/787543864.db2.gz MADMILYJUFMHTI-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO CCn1cc(CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC001147401427 787543558 /nfs/dbraw/zinc/54/35/58/787543558.db2.gz CPTAROURMZMVBK-UHFFFAOYSA-N 1 0 348.407 -1.251 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001147403043 787543263 /nfs/dbraw/zinc/54/32/63/787543263.db2.gz CVFPVGQUJCCDOZ-CYBMUJFWSA-N 1 0 335.408 -1.086 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001147403044 787544167 /nfs/dbraw/zinc/54/41/67/787544167.db2.gz CVFPVGQUJCCDOZ-ZDUSSCGKSA-N 1 0 335.408 -1.086 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001147403337 787542739 /nfs/dbraw/zinc/54/27/39/787542739.db2.gz HEVLKMNBWYGECY-UHFFFAOYSA-N 1 0 336.392 -1.194 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001147404011 787543304 /nfs/dbraw/zinc/54/33/04/787543304.db2.gz VVXHITAPKFTHEQ-SECBINFHSA-N 1 0 325.369 -1.760 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001147404012 787542939 /nfs/dbraw/zinc/54/29/39/787542939.db2.gz VVXHITAPKFTHEQ-VIFPVBQESA-N 1 0 325.369 -1.760 20 0 EAADRO CCN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001147415474 787544183 /nfs/dbraw/zinc/54/41/83/787544183.db2.gz DGYFOGUIMMHNEN-UHFFFAOYSA-N 1 0 336.396 -1.004 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCn3ccnn3)C2)C1 ZINC001147416493 787543360 /nfs/dbraw/zinc/54/33/60/787543360.db2.gz RKOIMNJIFCEHKT-LLVKDONJSA-N 1 0 349.395 -1.214 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCn3ccnn3)C2)C1 ZINC001147416494 787543966 /nfs/dbraw/zinc/54/39/66/787543966.db2.gz RKOIMNJIFCEHKT-NSHDSACASA-N 1 0 349.395 -1.214 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccc(N2CCCC2)nn1)C(=O)NC(N)=O ZINC001147416765 787544505 /nfs/dbraw/zinc/54/45/05/787544505.db2.gz DYSOHFZWRALWES-JTQLQIEISA-N 1 0 349.395 -1.020 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(N2CCCC2)nn1)C(=O)NC(N)=O ZINC001147416766 787544249 /nfs/dbraw/zinc/54/42/49/787544249.db2.gz DYSOHFZWRALWES-SNVBAGLBSA-N 1 0 349.395 -1.020 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(N2CCCC2)nn1 ZINC001147417382 787544152 /nfs/dbraw/zinc/54/41/52/787544152.db2.gz YJZWCHRQVQIDMT-UHFFFAOYSA-N 1 0 335.368 -1.409 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001147422208 787546505 /nfs/dbraw/zinc/54/65/05/787546505.db2.gz FNBAIXSHPVPCKC-UWVGGRQHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001147422209 787545625 /nfs/dbraw/zinc/54/56/25/787545625.db2.gz FNBAIXSHPVPCKC-VHSXEESVSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001147422225 787546137 /nfs/dbraw/zinc/54/61/37/787546137.db2.gz GBZTVCZGSCQEEJ-NSHDSACASA-N 1 0 338.412 -1.397 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422495 787546639 /nfs/dbraw/zinc/54/66/39/787546639.db2.gz OJJNNSVIVWUNBO-DTWKUNHWSA-N 1 0 340.384 -1.839 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001147422496 787546040 /nfs/dbraw/zinc/54/60/40/787546040.db2.gz OJJNNSVIVWUNBO-IUCAKERBSA-N 1 0 340.384 -1.839 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(N2CCCC2)nn1 ZINC001147428927 787543984 /nfs/dbraw/zinc/54/39/84/787543984.db2.gz MGTUVYIYEINBJB-UHFFFAOYSA-N 1 0 349.395 -1.148 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ccc2nccn2c1)N1CCNC(=O)C1 ZINC001147434885 787544328 /nfs/dbraw/zinc/54/43/28/787544328.db2.gz LDKWGLGUHSLXAA-UHFFFAOYSA-N 1 0 344.375 -1.388 20 0 EAADRO CCCCCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147441277 787546754 /nfs/dbraw/zinc/54/67/54/787546754.db2.gz WOTSYNJIFFHTKG-UHFFFAOYSA-N 1 0 336.414 -1.508 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](CCN(C)S(C)(=O)=O)C2 ZINC001147446619 787546168 /nfs/dbraw/zinc/54/61/68/787546168.db2.gz WDLGKUDLPRMPJU-UHFFFAOYSA-N 1 0 346.453 -1.452 20 0 EAADRO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](CCOCCNC(C)=O)C2 ZINC001147449805 787546339 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CC(=O)N[C@](C)(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1CC1 ZINC001147457468 787546605 /nfs/dbraw/zinc/54/66/05/787546605.db2.gz FNIPSECHSMUPKX-AWEZNQCLSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1CC1 ZINC001147457469 787545689 /nfs/dbraw/zinc/54/56/89/787545689.db2.gz FNIPSECHSMUPKX-CQSZACIVSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001147457655 787545272 /nfs/dbraw/zinc/54/52/72/787545272.db2.gz IEJIYEZYYQHZAU-CLAHSXSESA-N 1 0 327.385 -1.420 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001147457657 787545391 /nfs/dbraw/zinc/54/53/91/787545391.db2.gz IEJIYEZYYQHZAU-RMLUDKJBSA-N 1 0 327.385 -1.420 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001147457659 787546363 /nfs/dbraw/zinc/54/63/63/787546363.db2.gz IEJIYEZYYQHZAU-RTHLEPHNSA-N 1 0 327.385 -1.420 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001147457660 787545904 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EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001147700363 787560069 /nfs/dbraw/zinc/56/00/69/787560069.db2.gz WCFKNCGTVAKHQT-MRVPVSSYSA-N 1 0 339.352 -1.163 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001147700364 787560862 /nfs/dbraw/zinc/56/08/62/787560862.db2.gz WCFKNCGTVAKHQT-QMMMGPOBSA-N 1 0 339.352 -1.163 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001147700383 787560924 /nfs/dbraw/zinc/56/09/24/787560924.db2.gz WOSYQLMFSLQICO-UHFFFAOYSA-N 1 0 327.341 -1.258 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001147700402 787560347 /nfs/dbraw/zinc/56/03/47/787560347.db2.gz XAPQHASHCBQIKW-SECBINFHSA-N 1 0 330.414 -1.835 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001147700403 787560187 /nfs/dbraw/zinc/56/01/87/787560187.db2.gz XAPQHASHCBQIKW-VIFPVBQESA-N 1 0 330.414 -1.835 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001147700408 787560118 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O=C(C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)NCC1CC1 ZINC001147705403 787561239 /nfs/dbraw/zinc/56/12/39/787561239.db2.gz JKWWQWSYNAMJOS-UHFFFAOYSA-N 1 0 333.352 -1.737 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147705530 787560009 /nfs/dbraw/zinc/56/00/09/787560009.db2.gz JMSLZFRUKPYWHW-UHFFFAOYSA-N 1 0 335.368 -1.348 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)NCC1CCC1 ZINC001147705698 787560450 /nfs/dbraw/zinc/56/04/50/787560450.db2.gz MAHUGRKGZPLKMH-UHFFFAOYSA-N 1 0 347.379 -1.347 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C1CC1 ZINC001147706271 787560624 /nfs/dbraw/zinc/56/06/24/787560624.db2.gz UQLPOPIUFWLTCJ-UHFFFAOYSA-N 1 0 333.352 -1.642 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001147706319 787560515 /nfs/dbraw/zinc/56/05/15/787560515.db2.gz WFPGCTMXAZFRTK-SSDOTTSWSA-N 1 0 339.352 -1.117 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001147706320 787560154 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EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147711698 787559987 /nfs/dbraw/zinc/55/99/87/787559987.db2.gz BJYXDFWTGQWAOJ-UHFFFAOYSA-N 1 0 335.368 -1.395 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147711728 787561286 /nfs/dbraw/zinc/56/12/86/787561286.db2.gz CNQJVMFAUNLTAO-JTQLQIEISA-N 1 0 349.395 -1.102 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147711729 787561260 /nfs/dbraw/zinc/56/12/60/787561260.db2.gz CNQJVMFAUNLTAO-SNVBAGLBSA-N 1 0 349.395 -1.102 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCc2ncnn21)c1cc(=O)n2[nH]cnc2n1 ZINC001147711747 787560559 /nfs/dbraw/zinc/56/05/59/787560559.db2.gz DUGCZDPJQMSQLK-SECBINFHSA-N 1 0 343.351 -1.484 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCc2ncnn21)c1cc(=O)n2[nH]cnc2n1 ZINC001147711765 787560784 /nfs/dbraw/zinc/56/07/84/787560784.db2.gz DUGCZDPJQMSQLK-VIFPVBQESA-N 1 0 343.351 -1.484 20 0 EAADRO Cn1cc(CC[NH2+]CCNC(=O)c2cc(=O)n3[nH]cnc3n2)cn1 ZINC001147711773 787561020 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O=C(NCC[NH2+]C[C@@H]1CCNC(=O)CC1)c1cc(=O)n2[nH]cnc2n1 ZINC001147711998 787562174 /nfs/dbraw/zinc/56/21/74/787562174.db2.gz JJNWJONTCJGJJL-JTQLQIEISA-N 1 0 347.379 -1.347 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCNC(=O)CC1)c1cc(=O)n2[nH]cnc2n1 ZINC001147711999 787563136 /nfs/dbraw/zinc/56/31/36/787563136.db2.gz JJNWJONTCJGJJL-SNVBAGLBSA-N 1 0 347.379 -1.347 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712391 787562979 /nfs/dbraw/zinc/56/29/79/787562979.db2.gz RLKXWPJGJMWWDE-UHFFFAOYSA-N 1 0 345.367 -1.143 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712401 787562181 /nfs/dbraw/zinc/56/21/81/787562181.db2.gz RYPOGYBAKQIZNP-UHFFFAOYSA-N 1 0 336.312 -2.807 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)N1CCOCC1 ZINC001147712405 787562038 /nfs/dbraw/zinc/56/20/38/787562038.db2.gz SEFFNRRCSGSMDO-UHFFFAOYSA-N 1 0 349.351 -2.404 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712418 787563400 /nfs/dbraw/zinc/56/34/00/787563400.db2.gz SUSLZHROULMFPR-UHFFFAOYSA-N 1 0 349.395 -1.101 20 0 EAADRO O=C(NCC[NH2+]CCN1CCNC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712625 787563726 /nfs/dbraw/zinc/56/37/26/787563726.db2.gz SYUJIGUQQNWYSU-UHFFFAOYSA-N 1 0 334.340 -2.238 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001147712657 787563293 /nfs/dbraw/zinc/56/32/93/787563293.db2.gz UXPANAXHDOZYJA-SECBINFHSA-N 1 0 333.352 -1.642 20 0 EAADRO CN1CCC[C@H]([NH2+]CCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001147712658 787562627 /nfs/dbraw/zinc/56/26/27/787562627.db2.gz UXPANAXHDOZYJA-VIFPVBQESA-N 1 0 333.352 -1.642 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712686 787561902 /nfs/dbraw/zinc/56/19/02/787561902.db2.gz WDPJBOHMEVUILN-SSDOTTSWSA-N 1 0 333.308 -2.458 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712687 787561807 /nfs/dbraw/zinc/56/18/07/787561807.db2.gz WDPJBOHMEVUILN-ZETCQYMHSA-N 1 0 333.308 -2.458 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001147712688 787561878 /nfs/dbraw/zinc/56/18/78/787561878.db2.gz WDUZQMVAQUFZSR-SECBINFHSA-N 1 0 333.352 -1.642 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001147712689 787563520 /nfs/dbraw/zinc/56/35/20/787563520.db2.gz WDUZQMVAQUFZSR-VIFPVBQESA-N 1 0 333.352 -1.642 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712764 787562479 /nfs/dbraw/zinc/56/24/79/787562479.db2.gz XWJMVIGLRRXFMI-UHFFFAOYSA-N 1 0 328.354 -2.218 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)NC1CCCC1 ZINC001147712879 787562223 /nfs/dbraw/zinc/56/22/23/787562223.db2.gz YOLTWPYGUVUTIY-UHFFFAOYSA-N 1 0 347.379 -1.204 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712900 787561966 /nfs/dbraw/zinc/56/19/66/787561966.db2.gz ZXDNCKOSMAKGSZ-UHFFFAOYSA-N 1 0 331.340 -1.451 20 0 EAADRO CCCc1nc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)co1 ZINC001147719180 787562565 /nfs/dbraw/zinc/56/25/65/787562565.db2.gz QMJPWZBDNVQGKA-UHFFFAOYSA-N 1 0 337.380 -1.095 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(N)=O ZINC001147725197 787562509 /nfs/dbraw/zinc/56/25/09/787562509.db2.gz BCENMUSYICSDBP-SECBINFHSA-N 1 0 335.368 -1.219 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(N)=O ZINC001147725202 787562763 /nfs/dbraw/zinc/56/27/63/787562763.db2.gz BCENMUSYICSDBP-VIFPVBQESA-N 1 0 335.368 -1.219 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001147725211 787563639 /nfs/dbraw/zinc/56/36/39/787563639.db2.gz BITNGBPSZIAVLF-JTQLQIEISA-N 1 0 347.379 -1.254 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001147725213 787563049 /nfs/dbraw/zinc/56/30/49/787563049.db2.gz BITNGBPSZIAVLF-SNVBAGLBSA-N 1 0 347.379 -1.254 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)Nc1ccon1 ZINC001147725235 787563488 /nfs/dbraw/zinc/56/34/88/787563488.db2.gz CFEBAENSBRDEEF-UHFFFAOYSA-N 1 0 346.307 -1.636 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147725269 787562541 /nfs/dbraw/zinc/56/25/41/787562541.db2.gz DSBGCBWAKLUVTK-UHFFFAOYSA-N 1 0 348.323 -2.711 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)NC(N)=O ZINC001147725313 787562275 /nfs/dbraw/zinc/56/22/75/787562275.db2.gz GKCLRSGAMZBGFN-LURJTMIESA-N 1 0 336.312 -2.680 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)NC(N)=O ZINC001147725314 787563439 /nfs/dbraw/zinc/56/34/39/787563439.db2.gz GKCLRSGAMZBGFN-ZCFIWIBFSA-N 1 0 336.312 -2.680 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147725346 787563811 /nfs/dbraw/zinc/56/38/11/787563811.db2.gz HMRPTBIUVPZCNE-JTQLQIEISA-N 1 0 349.395 -1.006 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147725348 787562450 /nfs/dbraw/zinc/56/24/50/787562450.db2.gz HMRPTBIUVPZCNE-SNVBAGLBSA-N 1 0 349.395 -1.006 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147725776 787563085 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C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C1CC1 ZINC001147725857 787562292 /nfs/dbraw/zinc/56/22/92/787562292.db2.gz ONJSUHZOZUNIFL-VIFPVBQESA-N 1 0 347.379 -1.348 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)NC1CC1 ZINC001147725861 787562403 /nfs/dbraw/zinc/56/24/03/787562403.db2.gz OQHUDJULGOSTGI-MRVPVSSYSA-N 1 0 333.352 -1.596 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)NC1CC1 ZINC001147725862 787562746 /nfs/dbraw/zinc/56/27/46/787562746.db2.gz OQHUDJULGOSTGI-QMMMGPOBSA-N 1 0 333.352 -1.596 20 0 EAADRO O=C(NCC[NH2+]CCN1CCCC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147726167 787558984 /nfs/dbraw/zinc/55/89/84/787558984.db2.gz OZOJSZQJGFVFED-UHFFFAOYSA-N 1 0 333.352 -1.641 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147726223 787559104 /nfs/dbraw/zinc/55/91/04/787559104.db2.gz RZPZQLKNUSWDCP-UHFFFAOYSA-N 1 0 342.381 -1.828 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147726474 787558087 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20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)c1cc(=O)n2[nH]cnc2n1 ZINC001147726540 787558110 /nfs/dbraw/zinc/55/81/10/787558110.db2.gz YRAIVTMGORFTDJ-SNVBAGLBSA-N 1 0 346.351 -2.005 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147726543 787557875 /nfs/dbraw/zinc/55/78/75/787557875.db2.gz YSWAMEPAXQVSPZ-UHFFFAOYSA-N 1 0 347.335 -2.114 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147726553 787558274 /nfs/dbraw/zinc/55/82/74/787558274.db2.gz YYKXPGQTOUIREY-UHFFFAOYSA-N 1 0 335.368 -1.491 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001147731647 787558016 /nfs/dbraw/zinc/55/80/16/787558016.db2.gz PRVNXOSABKYBNP-CYBMUJFWSA-N 1 0 341.408 -1.613 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001147731648 787558132 /nfs/dbraw/zinc/55/81/32/787558132.db2.gz PRVNXOSABKYBNP-ZDUSSCGKSA-N 1 0 341.408 -1.613 20 0 EAADRO O=C(CN1CCOCC1=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147732088 787558360 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-1.063 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147736823 787562093 /nfs/dbraw/zinc/56/20/93/787562093.db2.gz LHZLJIACXJGRRY-NSHDSACASA-N 1 0 340.380 -1.872 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001147748264 787564646 /nfs/dbraw/zinc/56/46/46/787564646.db2.gz LIUWSCKMBZQKTH-SECBINFHSA-N 1 0 339.396 -1.384 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC001147748271 787564155 /nfs/dbraw/zinc/56/41/55/787564155.db2.gz LIUWSCKMBZQKTH-VIFPVBQESA-N 1 0 339.396 -1.384 20 0 EAADRO CCOCCOCCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001147755391 787562190 /nfs/dbraw/zinc/56/21/90/787562190.db2.gz SGYOTMBMQZZYNI-UHFFFAOYSA-N 1 0 332.401 -1.019 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001147761009 787562867 /nfs/dbraw/zinc/56/28/67/787562867.db2.gz SQQARROMTRYOTN-SECBINFHSA-N 1 0 348.363 -1.087 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC001147761010 787563359 /nfs/dbraw/zinc/56/33/59/787563359.db2.gz SQQARROMTRYOTN-VIFPVBQESA-N 1 0 348.363 -1.087 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001147770266 787563468 /nfs/dbraw/zinc/56/34/68/787563468.db2.gz GIRRWIZFYQOTAL-SECBINFHSA-N 1 0 333.410 -1.289 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001147770267 787562790 /nfs/dbraw/zinc/56/27/90/787562790.db2.gz GIRRWIZFYQOTAL-VIFPVBQESA-N 1 0 333.410 -1.289 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001147770908 787563168 /nfs/dbraw/zinc/56/31/68/787563168.db2.gz KTHZPWKGFJEIAO-UHFFFAOYSA-N 1 0 334.442 -1.069 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001147771567 787562127 /nfs/dbraw/zinc/56/21/27/787562127.db2.gz RIIRJQMFPRSQIB-UHFFFAOYSA-N 1 0 328.456 -1.050 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001147772666 787562204 /nfs/dbraw/zinc/56/22/04/787562204.db2.gz ZFSCAJAPCRLOSV-UHFFFAOYSA-N 1 0 349.453 -1.236 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC001147772680 787562387 /nfs/dbraw/zinc/56/23/87/787562387.db2.gz ZVJAMCMHDGDABH-UHFFFAOYSA-N 1 0 336.414 -1.639 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001147777750 787564438 /nfs/dbraw/zinc/56/44/38/787564438.db2.gz DTSMYFJLSXZGAV-GFCCVEGCSA-N 1 0 345.444 -1.072 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001147777751 787563976 /nfs/dbraw/zinc/56/39/76/787563976.db2.gz DTSMYFJLSXZGAV-LBPRGKRZSA-N 1 0 345.444 -1.072 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001147777770 787564229 /nfs/dbraw/zinc/56/42/29/787564229.db2.gz FKFNXSALMLDESZ-UHFFFAOYSA-N 1 0 348.425 -1.543 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001147777771 787564630 /nfs/dbraw/zinc/56/46/30/787564630.db2.gz FKTXLHFHCDSEMJ-MRVPVSSYSA-N 1 0 336.414 -1.511 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CS(=O)(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001147777772 787564522 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CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001147778333 787564102 /nfs/dbraw/zinc/56/41/02/787564102.db2.gz ODDOZIZNGABSQR-LBPRGKRZSA-N 1 0 345.444 -1.072 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001147779007 787564770 /nfs/dbraw/zinc/56/47/70/787564770.db2.gz VYJAWUUBGPWCQV-JTQLQIEISA-N 1 0 344.416 -1.379 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001147779008 787564221 /nfs/dbraw/zinc/56/42/21/787564221.db2.gz VYJAWUUBGPWCQV-SNVBAGLBSA-N 1 0 344.416 -1.379 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001147779332 787564293 /nfs/dbraw/zinc/56/42/93/787564293.db2.gz ZPYKZGBPEGWPPQ-UHFFFAOYSA-N 1 0 343.471 -1.545 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)NC(N)=O ZINC001147786249 787564359 /nfs/dbraw/zinc/56/43/59/787564359.db2.gz BMLOYIZHXVXKEL-HTQZYQBOSA-N 1 0 330.389 -1.641 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)NC(N)=O ZINC001147786250 787564760 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O=C(COc1ccsc1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001147921897 787570579 /nfs/dbraw/zinc/57/05/79/787570579.db2.gz FHMMLVFUPPCLNJ-UHFFFAOYSA-N 1 0 340.405 -1.209 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1c[nH]c2cccnc12)N1CCNC(=O)C1 ZINC001147928297 787568175 /nfs/dbraw/zinc/56/81/75/787568175.db2.gz JYRDEKMOEIHOHI-UHFFFAOYSA-N 1 0 344.375 -1.159 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCNC(=O)C(C)(C)c2c[nH]cn2)n(C)c1=O ZINC001147928860 787567474 /nfs/dbraw/zinc/56/74/74/787567474.db2.gz RRDLOMWRMFWGIG-UHFFFAOYSA-N 1 0 348.407 -1.009 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)ncc1=O ZINC001147931852 787569805 /nfs/dbraw/zinc/56/98/05/787569805.db2.gz IJLKMURCKIUNEP-UHFFFAOYSA-N 1 0 336.392 -1.063 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC001147932244 787569739 /nfs/dbraw/zinc/56/97/39/787569739.db2.gz PSFSLMXXLDZMSG-GFCCVEGCSA-N 1 0 336.392 -1.065 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC001147932245 787570700 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EAADRO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)COC)C2 ZINC001147972073 787569342 /nfs/dbraw/zinc/56/93/42/787569342.db2.gz GOOZSCAJOSUPGO-NSHDSACASA-N 1 0 334.442 -1.391 20 0 EAADRO CC[C@H](C[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)NC)C2)C1)OC ZINC001147972114 787569613 /nfs/dbraw/zinc/56/96/13/787569613.db2.gz IFNCTKDYUJUWKO-GFCCVEGCSA-N 1 0 348.469 -1.001 20 0 EAADRO CC[C@@H](C[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)NC)C2)C1)OC ZINC001147972115 787570506 /nfs/dbraw/zinc/57/05/06/787570506.db2.gz IFNCTKDYUJUWKO-LBPRGKRZSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@H+](CCC[C@@H](C)O)C2 ZINC001147972119 787570821 /nfs/dbraw/zinc/57/08/21/787570821.db2.gz IGRWIVCXFYWJTF-GFCCVEGCSA-N 1 0 348.469 -1.265 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@H+](CCC[C@H](C)O)C2 ZINC001147972120 787569215 /nfs/dbraw/zinc/56/92/15/787569215.db2.gz IGRWIVCXFYWJTF-LBPRGKRZSA-N 1 0 348.469 -1.265 20 0 EAADRO CCOCC[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001147972145 787569149 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ZINC001148179942 787577136 /nfs/dbraw/zinc/57/71/36/787577136.db2.gz XGOVYGSAJVSZOK-QMMMGPOBSA-N 1 0 336.352 -1.656 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148180793 787576366 /nfs/dbraw/zinc/57/63/66/787576366.db2.gz BAVWXGPYYBHTGU-JTQLQIEISA-N 1 0 332.426 -1.537 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148180794 787576683 /nfs/dbraw/zinc/57/66/83/787576683.db2.gz BAVWXGPYYBHTGU-SNVBAGLBSA-N 1 0 332.426 -1.537 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148181009 787576883 /nfs/dbraw/zinc/57/68/83/787576883.db2.gz HRAAXXSLZNVRRG-GFCCVEGCSA-N 1 0 349.453 -1.403 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148181010 787578569 /nfs/dbraw/zinc/57/85/69/787578569.db2.gz HRAAXXSLZNVRRG-LBPRGKRZSA-N 1 0 349.453 -1.403 20 0 EAADRO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181289 787577854 /nfs/dbraw/zinc/57/78/54/787577854.db2.gz 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CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148181639 787578828 /nfs/dbraw/zinc/57/88/28/787578828.db2.gz RUULAPUJHWDUGO-UHFFFAOYSA-N 1 0 346.453 -1.322 20 0 EAADRO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181653 787578158 /nfs/dbraw/zinc/57/81/58/787578158.db2.gz SKHXLUKYCRJODZ-SECBINFHSA-N 1 0 337.380 -1.617 20 0 EAADRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181654 787578783 /nfs/dbraw/zinc/57/87/83/787578783.db2.gz SKHXLUKYCRJODZ-VIFPVBQESA-N 1 0 337.380 -1.617 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C2 ZINC001148181655 787578606 /nfs/dbraw/zinc/57/86/06/787578606.db2.gz SMJRMWSASYTUTB-CHWSQXEVSA-N 1 0 341.408 -1.438 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C2 ZINC001148181656 787578711 /nfs/dbraw/zinc/57/87/11/787578711.db2.gz SMJRMWSASYTUTB-OLZOCXBDSA-N 1 0 341.408 -1.438 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC[C@H]1CCCO1)C2 ZINC001148181657 787577971 /nfs/dbraw/zinc/57/79/71/787577971.db2.gz SMJRMWSASYTUTB-QWHCGFSZSA-N 1 0 341.408 -1.438 20 0 EAADRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C2 ZINC001148181658 787577994 /nfs/dbraw/zinc/57/79/94/787577994.db2.gz SMJRMWSASYTUTB-STQMWFEESA-N 1 0 341.408 -1.438 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181897 787578651 /nfs/dbraw/zinc/57/86/51/787578651.db2.gz WCEYKTIAAIMORG-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181898 787577732 /nfs/dbraw/zinc/57/77/32/787577732.db2.gz WCEYKTIAAIMORG-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181926 787578899 /nfs/dbraw/zinc/57/88/99/787578899.db2.gz WXBBEFUJSHNIDJ-JTQLQIEISA-N 1 0 339.396 -1.371 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181927 787577635 /nfs/dbraw/zinc/57/76/35/787577635.db2.gz 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ZINC001148184012 787577983 /nfs/dbraw/zinc/57/79/83/787577983.db2.gz GWTLOIRKKLHTIN-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO CN(C)C(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001148184985 787578635 /nfs/dbraw/zinc/57/86/35/787578635.db2.gz XMBYXHQRJKJKSJ-UHFFFAOYSA-N 1 0 335.364 -1.097 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148188512 787578106 /nfs/dbraw/zinc/57/81/06/787578106.db2.gz KVSPRKRAFQFILR-LLVKDONJSA-N 1 0 346.453 -1.276 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148188513 787577563 /nfs/dbraw/zinc/57/75/63/787577563.db2.gz KVSPRKRAFQFILR-NSHDSACASA-N 1 0 346.453 -1.276 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148188755 787579110 /nfs/dbraw/zinc/57/91/10/787579110.db2.gz UKHCPFSZAYBAKP-LLVKDONJSA-N 1 0 346.453 -1.147 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148188756 787578672 /nfs/dbraw/zinc/57/86/72/787578672.db2.gz 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CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(=O)N(C)C ZINC001148203461 787580736 /nfs/dbraw/zinc/58/07/36/787580736.db2.gz NIMFKJAEQJCBPS-UHFFFAOYSA-N 1 0 329.401 -1.204 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001148203802 787581276 /nfs/dbraw/zinc/58/12/76/787581276.db2.gz SALQJEQKJBSDNT-UHFFFAOYSA-N 1 0 341.412 -2.091 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001148204056 787580076 /nfs/dbraw/zinc/58/00/76/787580076.db2.gz YMOHLJQFPHFAPO-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001148204065 787581208 /nfs/dbraw/zinc/58/12/08/787581208.db2.gz YTSSYLMGSCXJJA-UHFFFAOYSA-N 1 0 328.413 -1.191 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001148204080 787580769 /nfs/dbraw/zinc/58/07/69/787580769.db2.gz ZIVTVNXFJBHJMN-ZDUSSCGKSA-N 1 0 342.440 -1.066 20 0 EAADRO CNC(=O)NC(=O)CN1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210342 787578063 /nfs/dbraw/zinc/57/80/63/787578063.db2.gz LHRFZMDOXWBLRZ-UHFFFAOYSA-N 1 0 325.413 -1.072 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148210691 787578737 /nfs/dbraw/zinc/57/87/37/787578737.db2.gz CSKWHMACQSDYIR-UHFFFAOYSA-N 1 0 327.385 -1.498 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001148211176 787579191 /nfs/dbraw/zinc/57/91/91/787579191.db2.gz HQOUYWLSKDHZRF-UHFFFAOYSA-N 1 0 341.412 -1.107 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCCC(=O)N(C)C ZINC001148211425 787577907 /nfs/dbraw/zinc/57/79/07/787577907.db2.gz KVVRNTCYQSQXLT-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCCC(=O)N(C)C ZINC001148211691 787579127 /nfs/dbraw/zinc/57/91/27/787579127.db2.gz UGUKXHXSHBWRQD-CYBMUJFWSA-N 1 0 333.429 -1.025 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCCC(=O)N(C)C ZINC001148211692 787578203 /nfs/dbraw/zinc/57/82/03/787578203.db2.gz UGUKXHXSHBWRQD-ZDUSSCGKSA-N 1 0 333.429 -1.025 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC(=O)N(C)C ZINC001148216126 787577896 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ZINC001148217978 787578314 /nfs/dbraw/zinc/57/83/14/787578314.db2.gz ZHYJVNLMLDKTSG-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148220936 787579040 /nfs/dbraw/zinc/57/90/40/787579040.db2.gz NHQQIFGKQDABGE-AWEZNQCLSA-N 1 0 335.408 -1.017 20 0 EAADRO CCCNC(=O)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001148221778 787578097 /nfs/dbraw/zinc/57/80/97/787578097.db2.gz DIKSAHSPONQSII-JTQLQIEISA-N 1 0 329.401 -1.157 20 0 EAADRO CCCNC(=O)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001148221779 787577840 /nfs/dbraw/zinc/57/78/40/787577840.db2.gz DIKSAHSPONQSII-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO CCCNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001148243430 787580299 /nfs/dbraw/zinc/58/02/99/787580299.db2.gz QPIUOTZCPWIPSX-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)c1cccnc1 ZINC001148243846 787580282 /nfs/dbraw/zinc/58/02/82/787580282.db2.gz VBICXIBAEGKROY-GFCCVEGCSA-N 1 0 333.392 -1.151 20 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VVYATSSFOAEZGU-UHFFFAOYSA-N 1 0 329.401 -1.157 20 0 EAADRO COC[C@H](OC)C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148255686 787580861 /nfs/dbraw/zinc/58/08/61/787580861.db2.gz RMMXTNPPJRELHX-NEPJUHHUSA-N 1 0 339.392 -1.013 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148255687 787581125 /nfs/dbraw/zinc/58/11/25/787581125.db2.gz RMMXTNPPJRELHX-NWDGAFQWSA-N 1 0 339.392 -1.013 20 0 EAADRO COC[C@H](OC)C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148255688 787581237 /nfs/dbraw/zinc/58/12/37/787581237.db2.gz RMMXTNPPJRELHX-RYUDHWBXSA-N 1 0 339.392 -1.013 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148255689 787579955 /nfs/dbraw/zinc/57/99/55/787579955.db2.gz RMMXTNPPJRELHX-VXGBXAGGSA-N 1 0 339.392 -1.013 20 0 EAADRO CC(C)NC(=O)CCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148256295 787580618 /nfs/dbraw/zinc/58/06/18/787580618.db2.gz ADYZKNPJBRRIBA-UHFFFAOYSA-N 1 0 341.412 -1.061 20 0 EAADRO CC(C)NC(=O)CCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001148256312 787580759 /nfs/dbraw/zinc/58/07/59/787580759.db2.gz AUKCNCBTLNHFTJ-JTQLQIEISA-N 1 0 329.401 -1.030 20 0 EAADRO CC(C)NC(=O)CCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001148256313 787580848 /nfs/dbraw/zinc/58/08/48/787580848.db2.gz AUKCNCBTLNHFTJ-SNVBAGLBSA-N 1 0 329.401 -1.030 20 0 EAADRO CC(C)NC(=O)CCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001148257499 787580588 /nfs/dbraw/zinc/58/05/88/787580588.db2.gz PKMKOTNNXXYZBU-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001148263288 787579642 /nfs/dbraw/zinc/57/96/42/787579642.db2.gz XLSWBTYNNQVTDG-GHMZBOCLSA-N 1 0 342.396 -1.235 20 0 EAADRO COC[C@H](OC)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001148263290 787579618 /nfs/dbraw/zinc/57/96/18/787579618.db2.gz XLSWBTYNNQVTDG-MNOVXSKESA-N 1 0 342.396 -1.235 20 0 EAADRO COC[C@H](OC)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001148263291 787580938 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341.408 -1.439 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001148277693 787582727 /nfs/dbraw/zinc/58/27/27/787582727.db2.gz KRXQWFQBBOWIFW-RWMBFGLXSA-N 1 0 341.408 -1.439 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148289141 787581706 /nfs/dbraw/zinc/58/17/06/787581706.db2.gz JUJNJESSPSGBEN-JTQLQIEISA-N 1 0 337.380 -1.061 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148289143 787582548 /nfs/dbraw/zinc/58/25/48/787582548.db2.gz JUJNJESSPSGBEN-SNVBAGLBSA-N 1 0 337.380 -1.061 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)c1=O ZINC001148290073 787582166 /nfs/dbraw/zinc/58/21/66/787582166.db2.gz VNMDVNNYDFZKIW-UHFFFAOYSA-N 1 0 336.392 -1.000 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CC(=O)NC(N)=O)C2 ZINC001148292642 787582059 /nfs/dbraw/zinc/58/20/59/787582059.db2.gz NRNFFLXZXDJTCE-NEPJUHHUSA-N 1 0 337.424 -1.087 20 0 EAADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CC(=O)NC(N)=O)C2 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336.392 -1.000 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)c1=O ZINC001148296874 787580367 /nfs/dbraw/zinc/58/03/67/787580367.db2.gz DWMADAWGORTPBR-LBPRGKRZSA-N 1 0 336.392 -1.000 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1=O ZINC001148296973 787579851 /nfs/dbraw/zinc/57/98/51/787579851.db2.gz GUAANWHBCIXGCG-UHFFFAOYSA-N 1 0 335.364 -2.337 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148297113 787579879 /nfs/dbraw/zinc/57/98/79/787579879.db2.gz KQEOMRWXDSYSBG-UHFFFAOYSA-N 1 0 337.380 -1.060 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)c1=O ZINC001148297151 787581110 /nfs/dbraw/zinc/58/11/10/787581110.db2.gz LUMBVHNDCAIHBP-UHFFFAOYSA-N 1 0 342.421 -1.260 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)c1=O ZINC001148297326 787580783 /nfs/dbraw/zinc/58/07/83/787580783.db2.gz RHCAEXOASAMCQV-UHFFFAOYSA-N 1 0 335.364 -1.307 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001148298320 787580706 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C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cccn(C)c2=O)CCO1 ZINC001148309609 787582144 /nfs/dbraw/zinc/58/21/44/787582144.db2.gz PFXBGNNFVDPUPE-GFCCVEGCSA-N 1 0 336.392 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cccn(C)c2=O)CCO1 ZINC001148309610 787583126 /nfs/dbraw/zinc/58/31/26/787583126.db2.gz PFXBGNNFVDPUPE-LBPRGKRZSA-N 1 0 336.392 -1.048 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)c1=O ZINC001148309844 787582047 /nfs/dbraw/zinc/58/20/47/787582047.db2.gz UUHLMBXXCGJOQX-GFCCVEGCSA-N 1 0 336.392 -1.143 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)c1=O ZINC001148309845 787582530 /nfs/dbraw/zinc/58/25/30/787582530.db2.gz UUHLMBXXCGJOQX-LBPRGKRZSA-N 1 0 336.392 -1.143 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148309915 787581855 /nfs/dbraw/zinc/58/18/55/787581855.db2.gz XOQKJGBIGWYTQN-UHFFFAOYSA-N 1 0 344.437 -1.014 20 0 EAADRO Cn1cccc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1=O ZINC001148309931 787581643 /nfs/dbraw/zinc/58/16/43/787581643.db2.gz 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ZINC001148336089 787581953 /nfs/dbraw/zinc/58/19/53/787581953.db2.gz CSEBMPZWYUSMEV-UHFFFAOYSA-N 1 0 347.375 -1.196 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2c(c1)C(=O)NC2=O ZINC001148336129 787581790 /nfs/dbraw/zinc/58/17/90/787581790.db2.gz DSTRXYDVCXFKKM-LLVKDONJSA-N 1 0 344.327 -1.305 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccc2c(c1)C(=O)NC2=O ZINC001148336130 787581836 /nfs/dbraw/zinc/58/18/36/787581836.db2.gz DSTRXYDVCXFKKM-NSHDSACASA-N 1 0 344.327 -1.305 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)NC(N)=O ZINC001148337370 787582920 /nfs/dbraw/zinc/58/29/20/787582920.db2.gz RJGRBCYORHQRHP-SSDOTTSWSA-N 1 0 347.331 -1.527 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)NC(N)=O ZINC001148337373 787582559 /nfs/dbraw/zinc/58/25/59/787582559.db2.gz RJGRBCYORHQRHP-ZETCQYMHSA-N 1 0 347.331 -1.527 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001148344469 787584202 /nfs/dbraw/zinc/58/42/02/787584202.db2.gz OAANKIJJPRDHSD-UHFFFAOYSA-N 1 0 347.331 -1.655 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001148345491 787583663 /nfs/dbraw/zinc/58/36/63/787583663.db2.gz ZWISPQOFEBCLOY-UHFFFAOYSA-N 1 0 339.373 -1.066 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001148350522 787584499 /nfs/dbraw/zinc/58/44/99/787584499.db2.gz BKKKPOUCVXHEOI-NXEZZACHSA-N 1 0 332.426 -1.668 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148350523 787584925 /nfs/dbraw/zinc/58/49/25/787584925.db2.gz BKKKPOUCVXHEOI-UWVGGRQHSA-N 1 0 332.426 -1.668 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H](C)NS(C)(=O)=O)C2)C1 ZINC001148350524 787583910 /nfs/dbraw/zinc/58/39/10/787583910.db2.gz BKKKPOUCVXHEOI-VHSXEESVSA-N 1 0 332.426 -1.668 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148350525 787585181 /nfs/dbraw/zinc/58/51/81/787585181.db2.gz BKKKPOUCVXHEOI-ZJUUUORDSA-N 1 0 332.426 -1.668 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)C1 ZINC001148350920 787584448 /nfs/dbraw/zinc/58/44/48/787584448.db2.gz FKTXTRSBDOZGKK-NEPJUHHUSA-N 1 0 349.453 -1.534 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)NS(C)(=O)=O)C2)C1 ZINC001148350921 787584620 /nfs/dbraw/zinc/58/46/20/787584620.db2.gz FKTXTRSBDOZGKK-NWDGAFQWSA-N 1 0 349.453 -1.534 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)NS(C)(=O)=O)C2)C1 ZINC001148350922 787584649 /nfs/dbraw/zinc/58/46/49/787584649.db2.gz FKTXTRSBDOZGKK-RYUDHWBXSA-N 1 0 349.453 -1.534 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)C1 ZINC001148350923 787585216 /nfs/dbraw/zinc/58/52/16/787585216.db2.gz FKTXTRSBDOZGKK-VXGBXAGGSA-N 1 0 349.453 -1.534 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148351262 787584185 /nfs/dbraw/zinc/58/41/85/787584185.db2.gz IKSXGXHTJPFCOB-GFCCVEGCSA-N 1 0 349.453 -1.533 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148351263 787583615 /nfs/dbraw/zinc/58/36/15/787583615.db2.gz IKSXGXHTJPFCOB-LBPRGKRZSA-N 1 0 349.453 -1.533 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001148351742 787584148 /nfs/dbraw/zinc/58/41/48/787584148.db2.gz OCEWRPQJVJIZBY-GHMZBOCLSA-N 1 0 344.437 -1.653 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001148351743 787583527 /nfs/dbraw/zinc/58/35/27/787583527.db2.gz OCEWRPQJVJIZBY-MNOVXSKESA-N 1 0 344.437 -1.653 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001148351744 787583739 /nfs/dbraw/zinc/58/37/39/787583739.db2.gz OCEWRPQJVJIZBY-QWRGUYRKSA-N 1 0 344.437 -1.653 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001148351745 787584083 /nfs/dbraw/zinc/58/40/83/787584083.db2.gz OCEWRPQJVJIZBY-WDEREUQCSA-N 1 0 344.437 -1.653 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)C1 ZINC001148351757 787584405 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EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001148357836 787585879 /nfs/dbraw/zinc/58/58/79/787585879.db2.gz SLUHITGQXQYDSS-MNOVXSKESA-N 1 0 340.380 -1.874 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001148357837 787586734 /nfs/dbraw/zinc/58/67/34/787586734.db2.gz SLUHITGQXQYDSS-QWRGUYRKSA-N 1 0 340.380 -1.874 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363402 787586030 /nfs/dbraw/zinc/58/60/30/787586030.db2.gz GHCQQBPHAUTZDV-JTQLQIEISA-N 1 0 347.441 -2.210 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363414 787586434 /nfs/dbraw/zinc/58/64/34/787586434.db2.gz GHCQQBPHAUTZDV-SNVBAGLBSA-N 1 0 347.441 -2.210 20 0 EAADRO CO[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363483 787586520 /nfs/dbraw/zinc/58/65/20/787586520.db2.gz HPLSFFJWXLTESO-GFCCVEGCSA-N 1 0 348.469 -1.048 20 0 EAADRO CO[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363484 787586197 /nfs/dbraw/zinc/58/61/97/787586197.db2.gz HPLSFFJWXLTESO-LBPRGKRZSA-N 1 0 348.469 -1.048 20 0 EAADRO COCC[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363755 787586978 /nfs/dbraw/zinc/58/69/78/787586978.db2.gz NIOQSVWWGHASEF-UHFFFAOYSA-N 1 0 334.442 -1.437 20 0 EAADRO C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363917 787586341 /nfs/dbraw/zinc/58/63/41/787586341.db2.gz QTOUYEHMFPBQPG-LLVKDONJSA-N 1 0 334.442 -1.703 20 0 EAADRO C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363933 787585996 /nfs/dbraw/zinc/58/59/96/787585996.db2.gz QTOUYEHMFPBQPG-NSHDSACASA-N 1 0 334.442 -1.703 20 0 EAADRO COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148364123 787585832 /nfs/dbraw/zinc/58/58/32/787585832.db2.gz TUKALKBGRZWVRZ-GFCCVEGCSA-N 1 0 348.469 -1.048 20 0 EAADRO COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148364124 787586130 /nfs/dbraw/zinc/58/61/30/787586130.db2.gz TUKALKBGRZWVRZ-LBPRGKRZSA-N 1 0 348.469 -1.048 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001148364178 787585864 /nfs/dbraw/zinc/58/58/64/787585864.db2.gz VAHURLMISWRDJS-UHFFFAOYSA-N 1 0 334.442 -1.701 20 0 EAADRO CCOCC[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148364185 787586327 /nfs/dbraw/zinc/58/63/27/787586327.db2.gz VHSMIMQOCIQEMO-UHFFFAOYSA-N 1 0 348.469 -1.047 20 0 EAADRO COCCC[N@@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148364400 787586089 /nfs/dbraw/zinc/58/60/89/787586089.db2.gz ZUTIISQQIWHVBK-UHFFFAOYSA-N 1 0 348.469 -1.047 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2)C(N)=O ZINC001148390065 787584251 /nfs/dbraw/zinc/58/42/51/787584251.db2.gz AVKBFVCDTASKEE-JQWIXIFHSA-N 1 0 326.397 -1.718 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2)C(N)=O ZINC001148390066 787585091 /nfs/dbraw/zinc/58/50/91/787585091.db2.gz AVKBFVCDTASKEE-PWSUYJOCSA-N 1 0 326.397 -1.718 20 0 EAADRO 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20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001148457751 787590570 /nfs/dbraw/zinc/59/05/70/787590570.db2.gz AQXVGRXDESMFCN-DGCLKSJQSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001148457752 787590224 /nfs/dbraw/zinc/59/02/24/787590224.db2.gz AQXVGRXDESMFCN-WCQYABFASA-N 1 0 340.424 -1.328 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001148457756 787590264 /nfs/dbraw/zinc/59/02/64/787590264.db2.gz AQXVGRXDESMFCN-YPMHNXCESA-N 1 0 340.424 -1.328 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148458093 787589577 /nfs/dbraw/zinc/58/95/77/787589577.db2.gz ILTBJHBFBRKPDT-GFCCVEGCSA-N 1 0 326.397 -1.717 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148458094 787589129 /nfs/dbraw/zinc/58/91/29/787589129.db2.gz ILTBJHBFBRKPDT-LBPRGKRZSA-N 1 0 326.397 -1.717 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001148458126 787589108 /nfs/dbraw/zinc/58/91/08/787589108.db2.gz KGOAEASUBCZHFM-LLVKDONJSA-N 1 0 340.380 -1.920 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001148458127 787589315 /nfs/dbraw/zinc/58/93/15/787589315.db2.gz KGOAEASUBCZHFM-NSHDSACASA-N 1 0 340.380 -1.920 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148458391 787590542 /nfs/dbraw/zinc/59/05/42/787590542.db2.gz PMQSIKURVVEQFZ-UHFFFAOYSA-N 1 0 340.380 -1.919 20 0 EAADRO COCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C2)C1 ZINC001148458396 787590487 /nfs/dbraw/zinc/59/04/87/787590487.db2.gz PQWJPIYSGPQDGP-CYBMUJFWSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC[N@@H+]1CCC2(CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C2)C1 ZINC001148458398 787589847 /nfs/dbraw/zinc/58/98/47/787589847.db2.gz PQWJPIYSGPQDGP-ZDUSSCGKSA-N 1 0 340.424 -1.063 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001148458967 787590588 /nfs/dbraw/zinc/59/05/88/787590588.db2.gz YVGOEBGRAVUYNC-CYBMUJFWSA-N 1 0 340.424 -1.327 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001148458968 787589925 /nfs/dbraw/zinc/58/99/25/787589925.db2.gz YVGOEBGRAVUYNC-ZDUSSCGKSA-N 1 0 340.424 -1.327 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148462527 787590596 /nfs/dbraw/zinc/59/05/96/787590596.db2.gz DTTQDDRPTRNJRM-GFCCVEGCSA-N 1 0 339.396 -1.024 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148462528 787589710 /nfs/dbraw/zinc/58/97/10/787589710.db2.gz DTTQDDRPTRNJRM-LBPRGKRZSA-N 1 0 339.396 -1.024 20 0 EAADRO CN(CC[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1)S(C)(=O)=O ZINC001148462532 787590423 /nfs/dbraw/zinc/59/04/23/787590423.db2.gz FFONHNNJQUNLEC-UHFFFAOYSA-N 1 0 342.425 -1.156 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)C(C)C ZINC001148465640 787589677 /nfs/dbraw/zinc/58/96/77/787589677.db2.gz FOTCQTWAYPOYDH-CYBMUJFWSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C(C)C ZINC001148465787 787590413 /nfs/dbraw/zinc/59/04/13/787590413.db2.gz MMRUXOGATZYLBX-GFCCVEGCSA-N 1 0 336.458 -1.256 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C(C)C ZINC001148465835 787589426 /nfs/dbraw/zinc/58/94/26/787589426.db2.gz OHRSOSJPJKRTTL-CQSZACIVSA-N 1 0 341.412 -2.189 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)C(C)C ZINC001148465985 787590552 /nfs/dbraw/zinc/59/05/52/787590552.db2.gz QBVQMKDUENIZDQ-DZGCQCFKSA-N 1 0 342.440 -1.164 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148466289 787590316 /nfs/dbraw/zinc/59/03/16/787590316.db2.gz VLERWVVSMUJHQQ-GFCCVEGCSA-N 1 0 329.401 -1.301 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)C(C)C ZINC001148466314 787589203 /nfs/dbraw/zinc/58/92/03/787589203.db2.gz WUKOEYWZUFSRQN-CQSZACIVSA-N 1 0 328.413 -1.288 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)C(C)C ZINC001148466490 787589079 /nfs/dbraw/zinc/58/90/79/787589079.db2.gz ZWMFWFYSVBHZGC-CYBMUJFWSA-N 1 0 341.412 -1.159 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148470309 787590278 /nfs/dbraw/zinc/59/02/78/787590278.db2.gz FZHGXVHWXXNHSQ-GFCCVEGCSA-N 1 0 336.458 -1.208 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001148470608 787589411 /nfs/dbraw/zinc/58/94/11/787589411.db2.gz KOXNREZEMYRIKA-GFCCVEGCSA-N 1 0 327.385 -1.595 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148471006 787589054 /nfs/dbraw/zinc/58/90/54/787589054.db2.gz RTHSUOPZFLAIGD-GXSJLCMTSA-N 1 0 329.401 -1.303 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148471007 787589838 /nfs/dbraw/zinc/58/98/38/787589838.db2.gz RTHSUOPZFLAIGD-MWLCHTKSSA-N 1 0 329.401 -1.303 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)C(C)C ZINC001148471217 787590086 /nfs/dbraw/zinc/59/00/86/787590086.db2.gz YHRSAGYGRHPCAF-CYBMUJFWSA-N 1 0 341.412 -1.205 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148471226 787589308 /nfs/dbraw/zinc/58/93/08/787589308.db2.gz YTSRNEONQYBCJR-UONOGXRCSA-N 1 0 333.429 -1.123 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148471227 787589825 /nfs/dbraw/zinc/58/98/25/787589825.db2.gz YTSRNEONQYBCJR-ZIAGYGMSSA-N 1 0 333.429 -1.123 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CC(C)C)NC(C)=O ZINC001148477440 787589516 /nfs/dbraw/zinc/58/95/16/787589516.db2.gz BYFQHJYUWNIPBZ-NSHDSACASA-N 1 0 329.401 -1.301 20 0 EAADRO CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001148477471 787589755 /nfs/dbraw/zinc/58/97/55/787589755.db2.gz DFUPCWNBYFYCGW-KOLCDFICSA-N 1 0 329.401 -1.174 20 0 EAADRO CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001148477472 787590390 /nfs/dbraw/zinc/59/03/90/787590390.db2.gz DFUPCWNBYFYCGW-ONGXEEELSA-N 1 0 329.401 -1.174 20 0 EAADRO CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148478336 787589831 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CC(=O)N[C@H](CC(C)C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001148489004 787591674 /nfs/dbraw/zinc/59/16/74/787591674.db2.gz ZCSVNVDOJQFDEZ-GFCCVEGCSA-N 1 0 336.458 -1.208 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001148518913 787591065 /nfs/dbraw/zinc/59/10/65/787591065.db2.gz CLIANXDOVOEYOR-LLVKDONJSA-N 1 0 346.453 -1.324 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148518914 787591427 /nfs/dbraw/zinc/59/14/27/787591427.db2.gz CLIANXDOVOEYOR-NSHDSACASA-N 1 0 346.453 -1.324 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COCc3ncnn3C)C2)C1 ZINC001148520551 787592026 /nfs/dbraw/zinc/59/20/26/787592026.db2.gz VXCCPEWTPOFSCT-LLVKDONJSA-N 1 0 336.396 -1.260 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COCc3ncnn3C)C2)C1 ZINC001148520552 787592002 /nfs/dbraw/zinc/59/20/02/787592002.db2.gz VXCCPEWTPOFSCT-NSHDSACASA-N 1 0 336.396 -1.260 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COCc3nncn3C)C2)C1 ZINC001148524336 787591333 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CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001148783766 787598304 /nfs/dbraw/zinc/59/83/04/787598304.db2.gz LFCGYOIQERMGLH-SNVBAGLBSA-N 1 0 332.426 -1.796 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](CCOCCOC)C2 ZINC001148783785 787598369 /nfs/dbraw/zinc/59/83/69/787598369.db2.gz LYYLTZGGILTBPA-UHFFFAOYSA-N 1 0 349.453 -1.267 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001148783818 787598773 /nfs/dbraw/zinc/59/87/73/787598773.db2.gz NSWAQZBMVUGBIJ-JTQLQIEISA-N 1 0 330.410 -2.042 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001148783823 787598285 /nfs/dbraw/zinc/59/82/85/787598285.db2.gz NSWAQZBMVUGBIJ-SNVBAGLBSA-N 1 0 330.410 -2.042 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001148784039 787598519 /nfs/dbraw/zinc/59/85/19/787598519.db2.gz OPTULPYWJOEUOK-JTQLQIEISA-N 1 0 332.426 -1.666 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001148784041 787598410 /nfs/dbraw/zinc/59/84/10/787598410.db2.gz OPTULPYWJOEUOK-SNVBAGLBSA-N 1 0 332.426 -1.666 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001148784278 787597825 /nfs/dbraw/zinc/59/78/25/787597825.db2.gz RSLNRYWLMDVVIG-LLVKDONJSA-N 1 0 344.437 -1.699 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC001148784279 787597706 /nfs/dbraw/zinc/59/77/06/787597706.db2.gz RSLNRYWLMDVVIG-NSHDSACASA-N 1 0 344.437 -1.699 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001148784484 787597790 /nfs/dbraw/zinc/59/77/90/787597790.db2.gz VKBIGMMTHWSTDO-LLVKDONJSA-N 1 0 344.437 -1.652 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001148784489 787597406 /nfs/dbraw/zinc/59/74/06/787597406.db2.gz VKBIGMMTHWSTDO-NSHDSACASA-N 1 0 344.437 -1.652 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC)C2 ZINC001148784915 787597391 /nfs/dbraw/zinc/59/73/91/787597391.db2.gz ZWRFVKVULXNFCV-LLVKDONJSA-N 1 0 335.426 -1.923 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC)C2 ZINC001148784919 787598511 /nfs/dbraw/zinc/59/85/11/787598511.db2.gz ZWRFVKVULXNFCV-NSHDSACASA-N 1 0 335.426 -1.923 20 0 EAADRO COc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1 ZINC001148803566 787600657 /nfs/dbraw/zinc/60/06/57/787600657.db2.gz MJWIGLQRSZJHFW-UHFFFAOYSA-N 1 0 334.376 -1.027 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCS(=O)(=O)N(C)C)C2)C1 ZINC001148819993 787600357 /nfs/dbraw/zinc/60/03/57/787600357.db2.gz SGMITQMGJFQSTC-LLVKDONJSA-N 1 0 346.453 -1.324 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CCS(=O)(=O)N(C)C)C2)C1 ZINC001148819994 787600197 /nfs/dbraw/zinc/60/01/97/787600197.db2.gz SGMITQMGJFQSTC-NSHDSACASA-N 1 0 346.453 -1.324 20 0 EAADRO COCCC[N@@H+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001148827805 787597506 /nfs/dbraw/zinc/59/75/06/787597506.db2.gz MHTXSNPEURJXHH-UHFFFAOYSA-N 1 0 336.396 -1.052 20 0 EAADRO CCOCC[N@@H+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001148828043 787598546 /nfs/dbraw/zinc/59/85/46/787598546.db2.gz XKGGRZFOCPOSLV-UHFFFAOYSA-N 1 0 336.396 -1.052 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148833797 787600147 /nfs/dbraw/zinc/60/01/47/787600147.db2.gz KPMUCPFNUYBWOE-UHFFFAOYSA-N 1 0 336.396 -1.689 20 0 EAADRO COCC[N@@H+]1CCC2(CN(C(=O)CNC(=O)Cn3cncn3)C2)C1 ZINC001148833822 787600760 /nfs/dbraw/zinc/60/07/60/787600760.db2.gz MJFMXUCPJQPIHF-UHFFFAOYSA-N 1 0 336.396 -1.425 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CNC(=O)Cn3cncn3)C2)C1 ZINC001148834231 787599608 /nfs/dbraw/zinc/59/96/08/787599608.db2.gz YZCJWFIOOVNJEY-LLVKDONJSA-N 1 0 349.395 -2.198 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CNC(=O)Cn3cncn3)C2)C1 ZINC001148834232 787599522 /nfs/dbraw/zinc/59/95/22/787599522.db2.gz YZCJWFIOOVNJEY-NSHDSACASA-N 1 0 349.395 -2.198 20 0 EAADRO C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CNC(=O)Cn3cncn3)C2)C1 ZINC001148834238 787600074 /nfs/dbraw/zinc/60/00/74/787600074.db2.gz ZTXQCIBSPDHDOD-GFCCVEGCSA-N 1 0 336.396 -1.691 20 0 EAADRO C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CNC(=O)Cn3cncn3)C2)C1 ZINC001148834239 787600370 /nfs/dbraw/zinc/60/03/70/787600370.db2.gz ZTXQCIBSPDHDOD-LBPRGKRZSA-N 1 0 336.396 -1.691 20 0 EAADRO Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)n(C)c1=O ZINC001148850251 787599711 /nfs/dbraw/zinc/59/97/11/787599711.db2.gz BTGWTWTYYIKFAP-UHFFFAOYSA-N 1 0 338.408 -1.119 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001148851724 787599580 /nfs/dbraw/zinc/59/95/80/787599580.db2.gz VAIPEVOTGOAUKK-GFCCVEGCSA-N 1 0 338.408 -1.121 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001148851726 787599365 /nfs/dbraw/zinc/59/93/65/787599365.db2.gz VAIPEVOTGOAUKK-LBPRGKRZSA-N 1 0 338.408 -1.121 20 0 EAADRO O=C(COc1ccccc1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001148859794 787600343 /nfs/dbraw/zinc/60/03/43/787600343.db2.gz RZGGZUMLDGFEKR-UHFFFAOYSA-N 1 0 334.376 -1.270 20 0 EAADRO COc1cccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001148876908 787599807 /nfs/dbraw/zinc/59/98/07/787599807.db2.gz YAIOCMLJLAFSEQ-UHFFFAOYSA-N 1 0 334.376 -1.027 20 0 EAADRO COc1ccc(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1 ZINC001148890890 787599987 /nfs/dbraw/zinc/59/99/87/787599987.db2.gz SRDQLNRSLUATIO-UHFFFAOYSA-N 1 0 348.403 -1.098 20 0 EAADRO NC(=O)CCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148914782 787601369 /nfs/dbraw/zinc/60/13/69/787601369.db2.gz AWNIYKJEOKQGLM-LLVKDONJSA-N 1 0 336.392 -1.019 20 0 EAADRO NC(=O)CCCC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148914783 787602389 /nfs/dbraw/zinc/60/23/89/787602389.db2.gz AWNIYKJEOKQGLM-NSHDSACASA-N 1 0 336.392 -1.019 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCCC(N)=O)C2)C1 ZINC001148915066 787602162 /nfs/dbraw/zinc/60/21/62/787602162.db2.gz LAVSMOYDBUQGIG-JTQLQIEISA-N 1 0 339.396 -1.240 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCCC(N)=O)C2)C1 ZINC001148915067 787601593 /nfs/dbraw/zinc/60/15/93/787601593.db2.gz LAVSMOYDBUQGIG-SNVBAGLBSA-N 1 0 339.396 -1.240 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148935386 787602203 /nfs/dbraw/zinc/60/22/03/787602203.db2.gz PNAGFYMNEMQZOL-GFCCVEGCSA-N 1 0 339.392 -1.418 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148935387 787602720 /nfs/dbraw/zinc/60/27/20/787602720.db2.gz PNAGFYMNEMQZOL-LBPRGKRZSA-N 1 0 339.392 -1.418 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001148949094 787602369 /nfs/dbraw/zinc/60/23/69/787602369.db2.gz BYDHISBQWLFCIG-NEPJUHHUSA-N 1 0 339.392 -1.419 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001148949095 787601927 /nfs/dbraw/zinc/60/19/27/787601927.db2.gz BYDHISBQWLFCIG-NWDGAFQWSA-N 1 0 339.392 -1.419 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001148949096 787601701 /nfs/dbraw/zinc/60/17/01/787601701.db2.gz BYDHISBQWLFCIG-RYUDHWBXSA-N 1 0 339.392 -1.419 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 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EAADRO COCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCCO1 ZINC001149001989 787602660 /nfs/dbraw/zinc/60/26/60/787602660.db2.gz DMTBGPKUDIINST-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)COC)C1 ZINC001149013928 787604572 /nfs/dbraw/zinc/60/45/72/787604572.db2.gz LOMZFVOUJWFXQY-KBPBESRZSA-N 1 0 334.413 -1.136 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)COC)C1 ZINC001149013933 787604157 /nfs/dbraw/zinc/60/41/57/787604157.db2.gz LOMZFVOUJWFXQY-KGLIPLIRSA-N 1 0 334.413 -1.136 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)COC)C1 ZINC001149013935 787604360 /nfs/dbraw/zinc/60/43/60/787604360.db2.gz LOMZFVOUJWFXQY-UONOGXRCSA-N 1 0 334.413 -1.136 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)COC)C1 ZINC001149013937 787604341 /nfs/dbraw/zinc/60/43/41/787604341.db2.gz LOMZFVOUJWFXQY-ZIAGYGMSSA-N 1 0 334.413 -1.136 20 0 EAADRO COCC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCCO1 ZINC001149014031 787603803 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ZINC001149104265 793039782 /nfs/dbraw/zinc/03/97/82/793039782.db2.gz NCVZEPCKUMHBGF-YGRLFVJLSA-N 1 0 346.453 -1.169 20 0 EAADRO C[C@]1(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CCS(=O)(=O)N1 ZINC001149104305 793040032 /nfs/dbraw/zinc/04/00/32/793040032.db2.gz NZUNRCOSMWWLEW-NOZJJQNGSA-N 1 0 346.409 -2.031 20 0 EAADRO C[C@@]1(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CCS(=O)(=O)N1 ZINC001149104306 793039937 /nfs/dbraw/zinc/03/99/37/793039937.db2.gz NZUNRCOSMWWLEW-RNCFNFMXSA-N 1 0 346.409 -2.031 20 0 EAADRO C[C@]1(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CCS(=O)(=O)N1 ZINC001149104307 793040682 /nfs/dbraw/zinc/04/06/82/793040682.db2.gz NZUNRCOSMWWLEW-TVQRCGJNSA-N 1 0 346.409 -2.031 20 0 EAADRO C[C@@]1(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CCS(=O)(=O)N1 ZINC001149104308 793040934 /nfs/dbraw/zinc/04/09/34/793040934.db2.gz NZUNRCOSMWWLEW-ZANVPECISA-N 1 0 346.409 -2.031 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1=O ZINC001149104338 793041200 /nfs/dbraw/zinc/04/12/00/793041200.db2.gz PBSDOBJKZZUDSB-BXUZGUMPSA-N 1 0 346.453 -1.215 20 0 EAADRO CN1CCC[C@H]([NH2+]CCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1=O ZINC001149104339 793042263 /nfs/dbraw/zinc/04/22/63/793042263.db2.gz PBSDOBJKZZUDSB-FZMZJTMJSA-N 1 0 346.453 -1.215 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1=O ZINC001149104340 793042402 /nfs/dbraw/zinc/04/24/02/793042402.db2.gz PBSDOBJKZZUDSB-RISCZKNCSA-N 1 0 346.453 -1.215 20 0 EAADRO CN1CCC[C@H]([NH2+]CCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1=O ZINC001149104358 793042356 /nfs/dbraw/zinc/04/23/56/793042356.db2.gz PBSDOBJKZZUDSB-SMDDNHRTSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@]1(CC(=O)NCC[NH2+]CC(=O)NCC2CC2)CCS(=O)(=O)N1 ZINC001149104710 793042712 /nfs/dbraw/zinc/04/27/12/793042712.db2.gz PMQJXQXBIANWCE-AWEZNQCLSA-N 1 0 346.453 -1.310 20 0 EAADRO C[C@]1(CC(=O)NCC[NH2+]CC(=O)NCC2CC2)CCS(=O)(=O)N1 ZINC001149104711 793043205 /nfs/dbraw/zinc/04/32/05/793043205.db2.gz PMQJXQXBIANWCE-CQSZACIVSA-N 1 0 346.453 -1.310 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149104720 793042738 /nfs/dbraw/zinc/04/27/38/793042738.db2.gz PTTPEPHMODIJLK-CYBMUJFWSA-N 1 0 337.442 -1.173 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149104721 793043239 /nfs/dbraw/zinc/04/32/39/793043239.db2.gz PTTPEPHMODIJLK-ZDUSSCGKSA-N 1 0 337.442 -1.173 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149104732 793043977 /nfs/dbraw/zinc/04/39/77/793043977.db2.gz PYHADSBMOQQYPN-CYBMUJFWSA-N 1 0 344.441 -1.024 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149104733 793042872 /nfs/dbraw/zinc/04/28/72/793042872.db2.gz PYHADSBMOQQYPN-ZDUSSCGKSA-N 1 0 344.441 -1.024 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149104747 793043298 /nfs/dbraw/zinc/04/32/98/793043298.db2.gz QCVXBSYLJRJPLU-AWEZNQCLSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149104748 793042807 /nfs/dbraw/zinc/04/28/07/793042807.db2.gz 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341.412 -1.063 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149455123 787594341 /nfs/dbraw/zinc/59/43/41/787594341.db2.gz FMNPLTGPNUUZLG-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149455124 793071969 /nfs/dbraw/zinc/07/19/69/793071969.db2.gz FMNPLTGPNUUZLG-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001149455141 793071399 /nfs/dbraw/zinc/07/13/99/793071399.db2.gz FVDUESYKCMMJND-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)C(=O)NC(C)(C)C ZINC001149455142 793071440 /nfs/dbraw/zinc/07/14/40/793071440.db2.gz FZGMQTBGCDCYEZ-JTQLQIEISA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)C(=O)NC(C)(C)C ZINC001149455143 793070792 /nfs/dbraw/zinc/07/07/92/793070792.db2.gz FZGMQTBGCDCYEZ-SNVBAGLBSA-N 1 0 336.458 -1.113 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455160 793070617 /nfs/dbraw/zinc/07/06/17/793070617.db2.gz GJSFURQXNPECSZ-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455161 793071188 /nfs/dbraw/zinc/07/11/88/793071188.db2.gz GJSFURQXNPECSZ-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001149455192 793071805 /nfs/dbraw/zinc/07/18/05/793071805.db2.gz HAGFOZOIFXVVDS-LLVKDONJSA-N 1 0 334.442 -1.407 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001149455193 793070411 /nfs/dbraw/zinc/07/04/11/793070411.db2.gz HAGFOZOIFXVVDS-NSHDSACASA-N 1 0 334.442 -1.407 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455221 793070911 /nfs/dbraw/zinc/07/09/11/793070911.db2.gz HRLXRWHMODKODL-MRVPVSSYSA-N 1 0 337.402 -2.572 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455222 793071536 /nfs/dbraw/zinc/07/15/36/793071536.db2.gz HRLXRWHMODKODL-QMMMGPOBSA-N 1 0 337.402 -2.572 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455226 793072186 /nfs/dbraw/zinc/07/21/86/793072186.db2.gz HYGWZWAQOFZGNK-GFCCVEGCSA-N 1 0 339.458 -1.383 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455227 793072369 /nfs/dbraw/zinc/07/23/69/793072369.db2.gz HYGWZWAQOFZGNK-LBPRGKRZSA-N 1 0 339.458 -1.383 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001149455229 793071465 /nfs/dbraw/zinc/07/14/65/793071465.db2.gz IBJJIXGJZZUWTJ-LLVKDONJSA-N 1 0 339.396 -1.309 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001149455230 793072118 /nfs/dbraw/zinc/07/21/18/793072118.db2.gz IBJJIXGJZZUWTJ-NSHDSACASA-N 1 0 339.396 -1.309 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001149455343 793071223 /nfs/dbraw/zinc/07/12/23/793071223.db2.gz LFLKCWDOZVWRHP-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001149455344 793071900 /nfs/dbraw/zinc/07/19/00/793071900.db2.gz LFLKCWDOZVWRHP-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001149455345 793071617 /nfs/dbraw/zinc/07/16/17/793071617.db2.gz LFLKCWDOZVWRHP-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001149455346 793072229 /nfs/dbraw/zinc/07/22/29/793072229.db2.gz LFLKCWDOZVWRHP-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001149455366 793071823 /nfs/dbraw/zinc/07/18/23/793071823.db2.gz LUMPRKHVNKCQOF-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001149455367 793071641 /nfs/dbraw/zinc/07/16/41/793071641.db2.gz LUMPRKHVNKCQOF-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001149455387 793072092 /nfs/dbraw/zinc/07/20/92/793072092.db2.gz MJNPWELGSIRTNW-LLVKDONJSA-N 1 0 339.396 -2.339 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001149455388 793071555 /nfs/dbraw/zinc/07/15/55/793071555.db2.gz MJNPWELGSIRTNW-NSHDSACASA-N 1 0 339.396 -2.339 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455409 787593499 /nfs/dbraw/zinc/59/34/99/787593499.db2.gz MTQGMTGGCYASPK-LLVKDONJSA-N 1 0 336.458 -1.160 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455410 787594670 /nfs/dbraw/zinc/59/46/70/787594670.db2.gz MTQGMTGGCYASPK-NSHDSACASA-N 1 0 336.458 -1.160 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001149455426 787593702 /nfs/dbraw/zinc/59/37/02/787593702.db2.gz NRLCVAOCWLBJSC-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001149455427 787593099 /nfs/dbraw/zinc/59/30/99/787593099.db2.gz NRWPFHAPNBYECM-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001149455428 787594520 /nfs/dbraw/zinc/59/45/20/787594520.db2.gz NRWPFHAPNBYECM-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455484 793070394 /nfs/dbraw/zinc/07/03/94/793070394.db2.gz PSFBYLKXABLYHV-GHMZBOCLSA-N 1 0 336.458 -1.113 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455485 793070828 /nfs/dbraw/zinc/07/08/28/793070828.db2.gz PSFBYLKXABLYHV-MNOVXSKESA-N 1 0 336.458 -1.113 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455486 793070956 /nfs/dbraw/zinc/07/09/56/793070956.db2.gz PSFBYLKXABLYHV-QWRGUYRKSA-N 1 0 336.458 -1.113 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455487 793071320 /nfs/dbraw/zinc/07/13/20/793071320.db2.gz PSFBYLKXABLYHV-WDEREUQCSA-N 1 0 336.458 -1.113 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001149455488 793071051 /nfs/dbraw/zinc/07/10/51/793071051.db2.gz PTMWRBFRHPUJTP-UHFFFAOYSA-N 1 0 334.398 -2.267 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455630 793070580 /nfs/dbraw/zinc/07/05/80/793070580.db2.gz RILJOBVCOBVTJC-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455631 793070316 /nfs/dbraw/zinc/07/03/16/793070316.db2.gz RILJOBVCOBVTJC-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455632 793071694 /nfs/dbraw/zinc/07/16/94/793071694.db2.gz RJDWFRWVDGDRBV-LLVKDONJSA-N 1 0 336.458 -1.256 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455633 793071021 /nfs/dbraw/zinc/07/10/21/793071021.db2.gz RJDWFRWVDGDRBV-NSHDSACASA-N 1 0 336.458 -1.256 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455915 793072331 /nfs/dbraw/zinc/07/23/31/793072331.db2.gz UNGOOCLAMKEGKJ-UHFFFAOYSA-N 1 0 343.471 -1.592 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)cc1=O ZINC001149455937 793070697 /nfs/dbraw/zinc/07/06/97/793070697.db2.gz UVATYQQXYHVMOB-UHFFFAOYSA-N 1 0 347.393 -1.254 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)CS(C)(=O)=O ZINC001149455946 793071246 /nfs/dbraw/zinc/07/12/46/793071246.db2.gz UXTSTBQINBXURZ-JTQLQIEISA-N 1 0 343.471 -1.736 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)CS(C)(=O)=O ZINC001149455949 793071516 /nfs/dbraw/zinc/07/15/16/793071516.db2.gz UXTSTBQINBXURZ-SNVBAGLBSA-N 1 0 343.471 -1.736 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149455950 787596316 /nfs/dbraw/zinc/59/63/16/787596316.db2.gz UXXYKXKHKSLXLB-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149455952 787596792 /nfs/dbraw/zinc/59/67/92/787596792.db2.gz UXXYKXKHKSLXLB-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149456008 793070351 /nfs/dbraw/zinc/07/03/51/793070351.db2.gz VXGYDZJUYUNRCW-LLVKDONJSA-N 1 0 336.458 -1.161 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149456009 793072283 /nfs/dbraw/zinc/07/22/83/793072283.db2.gz VXGYDZJUYUNRCW-NSHDSACASA-N 1 0 336.458 -1.161 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149456273 787595385 /nfs/dbraw/zinc/59/53/85/787595385.db2.gz XBDFXSKUULYGKB-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149456275 787596187 /nfs/dbraw/zinc/59/61/87/787596187.db2.gz XBDFXSKUULYGKB-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)C(=O)N1CCCCC1 ZINC001149456278 787596506 /nfs/dbraw/zinc/59/65/06/787596506.db2.gz XBPHGGIEEULRTF-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)C(=O)N1CCCCC1 ZINC001149456280 787595720 /nfs/dbraw/zinc/59/57/20/787595720.db2.gz XBPHGGIEEULRTF-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149456336 793071731 /nfs/dbraw/zinc/07/17/31/793071731.db2.gz XMZHFTGEDKRPQZ-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149456339 793070745 /nfs/dbraw/zinc/07/07/45/793070745.db2.gz XMZHFTGEDKRPQZ-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001149456364 793071090 /nfs/dbraw/zinc/07/10/90/793071090.db2.gz XYDYIACXPXYDFU-LLVKDONJSA-N 1 0 333.414 -2.159 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001149456366 793071528 /nfs/dbraw/zinc/07/15/28/793071528.db2.gz XYDYIACXPXYDFU-NSHDSACASA-N 1 0 333.414 -2.159 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149456392 787595600 /nfs/dbraw/zinc/59/56/00/787595600.db2.gz YEBNSXJXASBMMP-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149456395 787597842 /nfs/dbraw/zinc/59/78/42/787597842.db2.gz YEBNSXJXASBMMP-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149456608 787597619 /nfs/dbraw/zinc/59/76/19/787597619.db2.gz 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C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCCC(=O)N2C)CCO1 ZINC001149463423 793072029 /nfs/dbraw/zinc/07/20/29/793072029.db2.gz ARBDWQFCCCIGIV-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001149463431 793071159 /nfs/dbraw/zinc/07/11/59/793071159.db2.gz BAYHYFLNVHWSOW-SECBINFHSA-N 1 0 333.348 -1.434 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001149463432 793070373 /nfs/dbraw/zinc/07/03/73/793070373.db2.gz BAYHYFLNVHWSOW-VIFPVBQESA-N 1 0 333.348 -1.434 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149463649 793071763 /nfs/dbraw/zinc/07/17/63/793071763.db2.gz FFPJTWNNSFAFSR-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149463650 793071751 /nfs/dbraw/zinc/07/17/51/793071751.db2.gz FFPJTWNNSFAFSR-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+]CCS(C)(=O)=O)n1 ZINC001149463865 793071375 /nfs/dbraw/zinc/07/13/75/793071375.db2.gz 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EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)n1 ZINC001149464539 793071596 /nfs/dbraw/zinc/07/15/96/793071596.db2.gz YRTRHDBWOGAALK-UHFFFAOYSA-N 1 0 349.391 -1.381 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+]CCN2CCNC2=O)n1 ZINC001149464562 793072886 /nfs/dbraw/zinc/07/28/86/793072886.db2.gz ZJFBAQGUOPGECH-UHFFFAOYSA-N 1 0 334.380 -1.214 20 0 EAADRO Cn1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)CC(N)=O)C2)cc1=O ZINC001149465373 793073978 /nfs/dbraw/zinc/07/39/78/793073978.db2.gz BQKYCSTUPICYFZ-CYBMUJFWSA-N 1 0 336.392 -1.032 20 0 EAADRO Cn1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)CC(N)=O)C2)cc1=O ZINC001149465374 793073511 /nfs/dbraw/zinc/07/35/11/793073511.db2.gz BQKYCSTUPICYFZ-ZDUSSCGKSA-N 1 0 336.392 -1.032 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CCCO[C@H](CNC(=O)CC(N)=O)C2)n1 ZINC001149466241 793074842 /nfs/dbraw/zinc/07/48/42/793074842.db2.gz QZINSHZYDNXNIC-CYBMUJFWSA-N 1 0 338.412 -1.023 20 0 EAADRO Cc1nc(C)n(CC[N@@H+]2CCCO[C@@H](CNC(=O)CC(N)=O)C2)n1 ZINC001149466242 793074686 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CNC(=O)c1cccc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001149470108 793072620 /nfs/dbraw/zinc/07/26/20/793072620.db2.gz RIGRDVQFLZUSDI-UHFFFAOYSA-N 1 0 347.375 -1.090 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001149470215 793072747 /nfs/dbraw/zinc/07/27/47/793072747.db2.gz UHTIJCYVHITZPG-JTQLQIEISA-N 1 0 325.369 -1.745 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001149470216 793072926 /nfs/dbraw/zinc/07/29/26/793072926.db2.gz UHTIJCYVHITZPG-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001149470235 793072878 /nfs/dbraw/zinc/07/28/78/793072878.db2.gz WGCDVWRLSLKFJK-UHFFFAOYSA-N 1 0 348.363 -1.688 20 0 EAADRO CN1CCC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149474964 793073246 /nfs/dbraw/zinc/07/32/46/793073246.db2.gz VLAGLSUJKOFIKG-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO CN1CCC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149474965 793073829 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CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149477146 787602652 /nfs/dbraw/zinc/60/26/52/787602652.db2.gz OSJJYVBAOUMHPF-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001149477584 793074170 /nfs/dbraw/zinc/07/41/70/793074170.db2.gz SQIHTVFGCXBBCH-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001149477585 793074027 /nfs/dbraw/zinc/07/40/27/793074027.db2.gz SQIHTVFGCXBBCH-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001149477586 793073318 /nfs/dbraw/zinc/07/33/18/793073318.db2.gz SQIHTVFGCXBBCH-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001149477587 793074517 /nfs/dbraw/zinc/07/45/17/793074517.db2.gz SQIHTVFGCXBBCH-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149477621 793072961 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CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C(C)C)C1 ZINC001149530779 793080325 /nfs/dbraw/zinc/08/03/25/793080325.db2.gz OVDUGHOUYDOALB-CYBMUJFWSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C(C)C)C1 ZINC001149530780 793078838 /nfs/dbraw/zinc/07/88/38/793078838.db2.gz OVDUGHOUYDOALB-ZDUSSCGKSA-N 1 0 328.413 -1.194 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149530985 793079490 /nfs/dbraw/zinc/07/94/90/793079490.db2.gz PBEOCFHKFRTVJO-CYBMUJFWSA-N 1 0 344.412 -1.908 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149530986 793079573 /nfs/dbraw/zinc/07/95/73/793079573.db2.gz PBEOCFHKFRTVJO-ZDUSSCGKSA-N 1 0 344.412 -1.908 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001149531009 793078753 /nfs/dbraw/zinc/07/87/53/793078753.db2.gz POQNEUCBHNTIQR-LLVKDONJSA-N 1 0 341.368 -2.509 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001149531010 793079480 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CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149531157 793078697 /nfs/dbraw/zinc/07/86/97/793078697.db2.gz UHYBRQLRMDYDHB-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149531158 793078714 /nfs/dbraw/zinc/07/87/14/793078714.db2.gz UHYBRQLRMDYDHB-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149531159 793079628 /nfs/dbraw/zinc/07/96/28/793079628.db2.gz UHYBRQLRMDYDHB-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1)C(N)=O ZINC001149531160 793078780 /nfs/dbraw/zinc/07/87/80/793078780.db2.gz UIKQNGGKZAXBEQ-CHWSQXEVSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1)C(N)=O ZINC001149531161 793078991 /nfs/dbraw/zinc/07/89/91/793078991.db2.gz UIKQNGGKZAXBEQ-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1)C(N)=O ZINC001149531162 793080248 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COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149531184 793079207 /nfs/dbraw/zinc/07/92/07/793079207.db2.gz UOTWCVQHYBWERJ-UONOGXRCSA-N 1 0 347.412 -2.037 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149531185 793079735 /nfs/dbraw/zinc/07/97/35/793079735.db2.gz UOTWCVQHYBWERJ-ZIAGYGMSSA-N 1 0 347.412 -2.037 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149531219 793079659 /nfs/dbraw/zinc/07/96/59/793079659.db2.gz VLMCVTQLUQGCEY-LLVKDONJSA-N 1 0 343.384 -2.215 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149531220 793078580 /nfs/dbraw/zinc/07/85/80/793078580.db2.gz VLMCVTQLUQGCEY-NSHDSACASA-N 1 0 343.384 -2.215 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001149531281 793079141 /nfs/dbraw/zinc/07/91/41/793079141.db2.gz WVWLDCBAUPUSCP-GFCCVEGCSA-N 1 0 335.426 -1.626 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001149531282 787604723 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CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1=O ZINC001149531361 793082562 /nfs/dbraw/zinc/08/25/62/793082562.db2.gz YBHXEZWHJVXCPR-STQMWFEESA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001149531440 793082200 /nfs/dbraw/zinc/08/22/00/793082200.db2.gz ZODUXHVFDJJANK-AWEZNQCLSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001149531444 793082247 /nfs/dbraw/zinc/08/22/47/793082247.db2.gz ZODUXHVFDJJANK-CQSZACIVSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001149538175 793081533 /nfs/dbraw/zinc/08/15/33/793081533.db2.gz CVNRYYWRDLFBSK-CYBMUJFWSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001149538176 793082270 /nfs/dbraw/zinc/08/22/70/793082270.db2.gz CVNRYYWRDLFBSK-ZDUSSCGKSA-N 1 0 326.397 -1.438 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149538373 793080672 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EAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C)C1 ZINC001149538460 793081449 /nfs/dbraw/zinc/08/14/49/793081449.db2.gz IXRGQZIIWCGCRI-HUUCEWRRSA-N 1 0 345.440 -1.027 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(C)C)C1 ZINC001149538461 793080776 /nfs/dbraw/zinc/08/07/76/793080776.db2.gz IXRGQZIIWCGCRI-LSDHHAIUSA-N 1 0 345.440 -1.027 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1)C1CC1 ZINC001149538496 793081685 /nfs/dbraw/zinc/08/16/85/793081685.db2.gz JYNRGKDMCRKAAK-AWEZNQCLSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1)C1CC1 ZINC001149538497 793082228 /nfs/dbraw/zinc/08/22/28/793082228.db2.gz JYNRGKDMCRKAAK-CQSZACIVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001149538518 793081189 /nfs/dbraw/zinc/08/11/89/793081189.db2.gz KJONHDDJDNFLRC-PSASIEDQSA-N 1 0 329.357 -2.477 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001149538520 793082548 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/nfs/dbraw/zinc/08/52/01/793085201.db2.gz CXETWYHSSQNMDJ-UHFFFAOYSA-N 1 0 326.401 -1.489 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)NCC2CCC2)c(=O)n1C ZINC001149570870 793084202 /nfs/dbraw/zinc/08/42/02/793084202.db2.gz CYUKCRREIKBYMY-UHFFFAOYSA-N 1 0 338.412 -1.488 20 0 EAADRO Cn1cncc1CCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001149571000 793084405 /nfs/dbraw/zinc/08/44/05/793084405.db2.gz KMGWZUFIQXNBRQ-UHFFFAOYSA-N 1 0 348.407 -1.344 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)c(=O)n1C ZINC001149571044 793082902 /nfs/dbraw/zinc/08/29/02/793082902.db2.gz MQJZWTAKFWDWLM-UHFFFAOYSA-N 1 0 334.380 -1.505 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1cncn1C ZINC001149571108 793084491 /nfs/dbraw/zinc/08/44/91/793084491.db2.gz OZFCLRAGRINVNY-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]Cc2ccc(C(N)=O)cc2)c(=O)n1C ZINC001149571124 793082922 /nfs/dbraw/zinc/08/29/22/793082922.db2.gz PMSVKTATIBQTMN-UHFFFAOYSA-N 1 0 346.391 -1.105 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)N2CCCCC2)c(=O)n1C ZINC001149571171 793083573 /nfs/dbraw/zinc/08/35/73/793083573.db2.gz RJPCKPTYXFQXAO-UHFFFAOYSA-N 1 0 338.412 -1.391 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)N(C)CC2CC2)c(=O)n1C ZINC001149571347 793085171 /nfs/dbraw/zinc/08/51/71/793085171.db2.gz ZFIRDANOHGQTPY-UHFFFAOYSA-N 1 0 338.412 -1.536 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1 ZINC001149573368 793087657 /nfs/dbraw/zinc/08/76/57/793087657.db2.gz JRVAZSZZFHCHJC-CYBMUJFWSA-N 1 0 331.413 -1.271 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1 ZINC001149573369 793086845 /nfs/dbraw/zinc/08/68/45/793086845.db2.gz JRVAZSZZFHCHJC-ZDUSSCGKSA-N 1 0 331.413 -1.271 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001149574474 793087534 /nfs/dbraw/zinc/08/75/34/793087534.db2.gz YRYFVNNACAIREU-CHWSQXEVSA-N 1 0 331.413 -1.273 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001149574477 793086500 /nfs/dbraw/zinc/08/65/00/793086500.db2.gz YRYFVNNACAIREU-OLZOCXBDSA-N 1 0 331.413 -1.273 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001149574479 793087588 /nfs/dbraw/zinc/08/75/88/793087588.db2.gz YRYFVNNACAIREU-QWHCGFSZSA-N 1 0 331.413 -1.273 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001149574480 793087508 /nfs/dbraw/zinc/08/75/08/793087508.db2.gz YRYFVNNACAIREU-STQMWFEESA-N 1 0 331.413 -1.273 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576309 793086300 /nfs/dbraw/zinc/08/63/00/793086300.db2.gz AHZWRZDQVVEBAY-JTQLQIEISA-N 1 0 326.401 -1.489 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576310 793087178 /nfs/dbraw/zinc/08/71/78/793087178.db2.gz AHZWRZDQVVEBAY-SNVBAGLBSA-N 1 0 326.401 -1.489 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)Nc2ccon2)c(=O)n1C ZINC001149576332 793086175 /nfs/dbraw/zinc/08/61/75/793086175.db2.gz BFSXNLKCILGYQT-UHFFFAOYSA-N 1 0 337.340 -1.777 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C)c(=O)n1C ZINC001149576337 793086918 /nfs/dbraw/zinc/08/69/18/793086918.db2.gz BISPZVMUQFJRFZ-UHFFFAOYSA-N 1 0 326.401 -1.537 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576342 793085700 /nfs/dbraw/zinc/08/57/00/793085700.db2.gz BXQQVBNCGBNHHG-UHFFFAOYSA-N 1 0 327.345 -2.948 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c(=O)n1C ZINC001149576346 793087399 /nfs/dbraw/zinc/08/73/99/793087399.db2.gz CDDMFMUAHFWUOW-SSDOTTSWSA-N 1 0 327.345 -2.821 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c(=O)n1C ZINC001149576347 793086783 /nfs/dbraw/zinc/08/67/83/793086783.db2.gz CDDMFMUAHFWUOW-ZETCQYMHSA-N 1 0 327.345 -2.821 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576352 793087640 /nfs/dbraw/zinc/08/76/40/793087640.db2.gz CJMSAMMATZDIQX-UHFFFAOYSA-N 1 0 342.400 -2.251 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001149576374 793086700 /nfs/dbraw/zinc/08/67/00/793086700.db2.gz DILFILYMILUVCN-UHFFFAOYSA-N 1 0 335.368 -1.405 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(C)C)c(=O)n1C ZINC001149576378 793086677 /nfs/dbraw/zinc/08/66/77/793086677.db2.gz DOFPQDUVMJPSLJ-LLVKDONJSA-N 1 0 340.428 -1.243 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(C)C)c(=O)n1C ZINC001149576379 793087423 /nfs/dbraw/zinc/08/74/23/793087423.db2.gz DOFPQDUVMJPSLJ-NSHDSACASA-N 1 0 340.428 -1.243 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)c(=O)n1C ZINC001149576389 793086214 /nfs/dbraw/zinc/08/62/14/793086214.db2.gz FEISPVDPEMVLOS-GFCCVEGCSA-N 1 0 338.412 -1.488 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)c(=O)n1C ZINC001149576390 793086247 /nfs/dbraw/zinc/08/62/47/793086247.db2.gz FEISPVDPEMVLOS-LBPRGKRZSA-N 1 0 338.412 -1.488 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576392 793087743 /nfs/dbraw/zinc/08/77/43/793087743.db2.gz FHEGEQPDMNKKNE-UHFFFAOYSA-N 1 0 342.400 -2.251 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576395 793087196 /nfs/dbraw/zinc/08/71/96/793087196.db2.gz FOIABSDUMXRQGA-UHFFFAOYSA-N 1 0 326.401 -1.536 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576396 793086156 /nfs/dbraw/zinc/08/61/56/793086156.db2.gz FPBSKQGLUTUXQM-JTQLQIEISA-N 1 0 326.401 -1.489 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576397 793087792 /nfs/dbraw/zinc/08/77/92/793087792.db2.gz FPBSKQGLUTUXQM-SNVBAGLBSA-N 1 0 326.401 -1.489 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576516 793086129 /nfs/dbraw/zinc/08/61/29/793086129.db2.gz GOHIECILVNOKER-UHFFFAOYSA-N 1 0 340.428 -1.099 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@@H]2CCN(C(C)C)C2=O)c(=O)n1C ZINC001149576517 793087567 /nfs/dbraw/zinc/08/75/67/793087567.db2.gz GPLICCOAHBYZMK-GFCCVEGCSA-N 1 0 338.412 -1.395 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@H]2CCN(C(C)C)C2=O)c(=O)n1C ZINC001149576518 793087249 /nfs/dbraw/zinc/08/72/49/793087249.db2.gz GPLICCOAHBYZMK-LBPRGKRZSA-N 1 0 338.412 -1.395 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576519 793086366 /nfs/dbraw/zinc/08/63/66/793086366.db2.gz GQPYWTDZMHAHKK-GFCCVEGCSA-N 1 0 345.400 -2.380 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576520 793087291 /nfs/dbraw/zinc/08/72/91/793087291.db2.gz GQPYWTDZMHAHKK-LBPRGKRZSA-N 1 0 345.400 -2.380 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576525 793085605 /nfs/dbraw/zinc/08/56/05/793085605.db2.gz GTQTYBQBFUZNFF-UHFFFAOYSA-N 1 0 341.372 -2.558 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O)C1CC1 ZINC001149576531 793086377 /nfs/dbraw/zinc/08/63/77/793086377.db2.gz HEBLSYTZOZGRGS-UHFFFAOYSA-N 1 0 338.412 -1.393 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C)c(=O)n1C ZINC001149576539 793086257 /nfs/dbraw/zinc/08/62/57/793086257.db2.gz HTUCADZRLBSNNR-LLVKDONJSA-N 1 0 340.428 -1.149 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C)c(=O)n1C ZINC001149576540 793085827 /nfs/dbraw/zinc/08/58/27/793085827.db2.gz HTUCADZRLBSNNR-NSHDSACASA-N 1 0 340.428 -1.149 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CCOC[C@H]2CCCO2)c(=O)n1C ZINC001149576554 793086908 /nfs/dbraw/zinc/08/69/08/793086908.db2.gz IJGTVAUBGOBRQZ-CYBMUJFWSA-N 1 0 341.412 -1.208 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)c(=O)n1C ZINC001149576555 793087416 /nfs/dbraw/zinc/08/74/16/793087416.db2.gz IJGTVAUBGOBRQZ-ZDUSSCGKSA-N 1 0 341.412 -1.208 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)c(=O)n1C ZINC001149576556 793086725 /nfs/dbraw/zinc/08/67/25/793086725.db2.gz IJYKLMCPSQBDRW-UHFFFAOYSA-N 1 0 340.428 -1.242 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576584 793086198 /nfs/dbraw/zinc/08/61/98/793086198.db2.gz JCUDSDOTCZDOPL-UHFFFAOYSA-N 1 0 326.401 -1.488 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576597 793087304 /nfs/dbraw/zinc/08/73/04/793087304.db2.gz JOOQEKLBQOHQNU-LLVKDONJSA-N 1 0 340.428 -1.147 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576598 793087015 /nfs/dbraw/zinc/08/70/15/793087015.db2.gz JOOQEKLBQOHQNU-NSHDSACASA-N 1 0 340.428 -1.147 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)c(=O)n1C ZINC001149576602 793087373 /nfs/dbraw/zinc/08/73/73/793087373.db2.gz JTRGSPNAXPTFOP-LLVKDONJSA-N 1 0 334.384 -1.625 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)c(=O)n1C ZINC001149576603 793086000 /nfs/dbraw/zinc/08/60/00/793086000.db2.gz JTRGSPNAXPTFOP-NSHDSACASA-N 1 0 334.384 -1.625 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CCN2CCNC2=O)c(=O)n1C ZINC001149576693 793086083 /nfs/dbraw/zinc/08/60/83/793086083.db2.gz KLUKBRJGAJLVPT-UHFFFAOYSA-N 1 0 325.373 -2.379 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001149576696 793087499 /nfs/dbraw/zinc/08/74/99/793087499.db2.gz KSADUUMNNPJZKD-UHFFFAOYSA-N 1 0 336.400 -1.495 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c(=O)n1C ZINC001149576702 793086616 /nfs/dbraw/zinc/08/66/16/793086616.db2.gz KWGILICMKSBPLX-UHFFFAOYSA-N 1 0 339.356 -2.852 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)nn1 ZINC001149576705 793087359 /nfs/dbraw/zinc/08/73/59/793087359.db2.gz LFMLFHAHBRHQBP-UHFFFAOYSA-N 1 0 335.368 -1.405 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]Cc2cccc(C(N)=O)c2)c(=O)n1C ZINC001149576720 793087320 /nfs/dbraw/zinc/08/73/20/793087320.db2.gz LVRXUHAKDXHQPW-UHFFFAOYSA-N 1 0 346.391 -1.105 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)c(=O)n1C ZINC001149576731 793087270 /nfs/dbraw/zinc/08/72/70/793087270.db2.gz MHQYBNQRFYPZLA-UHFFFAOYSA-N 1 0 348.429 -2.513 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)c(=O)n1C ZINC001149576752 793087822 /nfs/dbraw/zinc/08/78/22/793087822.db2.gz NESFVLWVJXPVTA-JTQLQIEISA-N 1 0 347.441 -1.723 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)c(=O)n1C ZINC001149576753 793087441 /nfs/dbraw/zinc/08/74/41/793087441.db2.gz NESFVLWVJXPVTA-SNVBAGLBSA-N 1 0 347.441 -1.723 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576758 793086324 /nfs/dbraw/zinc/08/63/24/793086324.db2.gz NHRCMBCOHZMHAX-UHFFFAOYSA-N 1 0 336.400 -1.284 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576763 793087074 /nfs/dbraw/zinc/08/70/74/793087074.db2.gz NNEGDZCDQUMGIW-LLVKDONJSA-N 1 0 340.428 -1.099 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576764 793086011 /nfs/dbraw/zinc/08/60/11/793086011.db2.gz NNEGDZCDQUMGIW-NSHDSACASA-N 1 0 340.428 -1.099 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C)c(=O)n1C ZINC001149576772 793086590 /nfs/dbraw/zinc/08/65/90/793086590.db2.gz NZKROHRQNMEKFR-LLVKDONJSA-N 1 0 340.428 -1.243 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C)c(=O)n1C ZINC001149576773 793087222 /nfs/dbraw/zinc/08/72/22/793087222.db2.gz NZKROHRQNMEKFR-NSHDSACASA-N 1 0 340.428 -1.243 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)NCC(C)C)c(=O)n1C ZINC001149576893 793085801 /nfs/dbraw/zinc/08/58/01/793085801.db2.gz PHVCCFLRDSUSGY-UHFFFAOYSA-N 1 0 326.401 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/nfs/dbraw/zinc/08/92/30/793089230.db2.gz QXSZWCJZGCJPQR-WDEREUQCSA-N 1 0 340.428 -1.101 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576939 793088577 /nfs/dbraw/zinc/08/85/77/793088577.db2.gz RCZGIEBFDIMKJF-UHFFFAOYSA-N 1 0 342.400 -2.251 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)c(=O)n1C ZINC001149576942 793090151 /nfs/dbraw/zinc/09/01/51/793090151.db2.gz RJFNBPHHQRIHIP-UHFFFAOYSA-N 1 0 334.402 -2.855 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)c(C)n1 ZINC001149576944 793089247 /nfs/dbraw/zinc/08/92/47/793089247.db2.gz RJICUDDRMCZAED-UHFFFAOYSA-N 1 0 349.395 -1.097 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576950 793089286 /nfs/dbraw/zinc/08/92/86/793089286.db2.gz RQIADDSJRGGSLF-LLVKDONJSA-N 1 0 340.428 -1.099 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576951 793089024 /nfs/dbraw/zinc/08/90/24/793089024.db2.gz RQIADDSJRGGSLF-NSHDSACASA-N 1 0 340.428 -1.099 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001149576952 793089544 /nfs/dbraw/zinc/08/95/44/793089544.db2.gz RTEAAEQUQBCARI-UHFFFAOYSA-N 1 0 337.384 -1.080 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C)c(=O)n1C ZINC001149576966 793089951 /nfs/dbraw/zinc/08/99/51/793089951.db2.gz SIGNHPVFQBNGHT-JTQLQIEISA-N 1 0 340.428 -1.101 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C)c(=O)n1C ZINC001149576967 793089577 /nfs/dbraw/zinc/08/95/77/793089577.db2.gz SIGNHPVFQBNGHT-SNVBAGLBSA-N 1 0 340.428 -1.101 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149577120 793088940 /nfs/dbraw/zinc/08/89/40/793088940.db2.gz TVOCSGQZDYDCQV-UHFFFAOYSA-N 1 0 347.441 -1.579 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149577165 793090346 /nfs/dbraw/zinc/09/03/46/793090346.db2.gz UHVDZOSIGUVBHR-MRVPVSSYSA-N 1 0 341.372 -2.560 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149577174 793089969 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Cc1nn(CC(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)c(=O)n1C ZINC001149577241 793088550 /nfs/dbraw/zinc/08/85/50/793088550.db2.gz WUYAXSCWVNWPCF-CYBMUJFWSA-N 1 0 341.412 -1.208 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CCCO[C@H]2CCOC2)c(=O)n1C ZINC001149577242 793088827 /nfs/dbraw/zinc/08/88/27/793088827.db2.gz WUYAXSCWVNWPCF-ZDUSSCGKSA-N 1 0 341.412 -1.208 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C2CC2)c(=O)n1C ZINC001149577248 793088144 /nfs/dbraw/zinc/08/81/44/793088144.db2.gz XCTLHJVICHKGMW-JTQLQIEISA-N 1 0 338.412 -1.489 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C2CC2)c(=O)n1C ZINC001149577249 793089791 /nfs/dbraw/zinc/08/97/91/793089791.db2.gz XCTLHJVICHKGMW-SNVBAGLBSA-N 1 0 338.412 -1.489 20 0 EAADRO Cc1nn(CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)c(=O)n1C ZINC001149577333 793088457 /nfs/dbraw/zinc/08/84/57/793088457.db2.gz YFNHGSLHYDIQRQ-UHFFFAOYSA-N 1 0 348.367 -1.975 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O)C(N)=O ZINC001149577384 793089264 /nfs/dbraw/zinc/08/92/64/793089264.db2.gz 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/nfs/dbraw/zinc/19/35/92/793193592.db2.gz UYQJPLFDXOWDPM-UHFFFAOYSA-N 1 0 337.336 -2.046 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150984608 793194026 /nfs/dbraw/zinc/19/40/26/793194026.db2.gz VKAJWZPLQVHMNN-UHFFFAOYSA-N 1 0 340.384 -1.487 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCCS(C)(=O)=O)c(=O)[nH]c1=O ZINC001150984636 789653711 /nfs/dbraw/zinc/65/37/11/789653711.db2.gz VVFZUTNTHLLOJE-UHFFFAOYSA-N 1 0 332.382 -1.760 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC001150984663 793194056 /nfs/dbraw/zinc/19/40/56/793194056.db2.gz WFNLBYJUQZVOGF-UHFFFAOYSA-N 1 0 334.336 -1.196 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)c(=O)[nH]c1=O ZINC001150984687 793193704 /nfs/dbraw/zinc/19/37/04/793193704.db2.gz WLNFQEUOHHXVRN-JTQLQIEISA-N 1 0 337.380 -1.278 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)c(=O)[nH]c1=O ZINC001150984690 793194052 /nfs/dbraw/zinc/19/40/52/793194052.db2.gz WLNFQEUOHHXVRN-SNVBAGLBSA-N 1 0 337.380 -1.278 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)c(=O)[nH]c1=O ZINC001150984753 789653542 /nfs/dbraw/zinc/65/35/42/789653542.db2.gz XHTGFNYHOUWZMA-JTQLQIEISA-N 1 0 336.352 -1.937 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)c(=O)[nH]c1=O ZINC001150984754 789653278 /nfs/dbraw/zinc/65/32/78/789653278.db2.gz XHTGFNYHOUWZMA-SNVBAGLBSA-N 1 0 336.352 -1.937 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)c(=O)[nH]c1=O ZINC001150984761 793193716 /nfs/dbraw/zinc/19/37/16/793193716.db2.gz XPYNVRCVGATCOE-SECBINFHSA-N 1 0 333.352 -1.416 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)c(=O)[nH]c1=O ZINC001150984762 793193415 /nfs/dbraw/zinc/19/34/15/793193415.db2.gz XPYNVRCVGATCOE-VIFPVBQESA-N 1 0 333.352 -1.416 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001150984774 793193608 /nfs/dbraw/zinc/19/36/08/793193608.db2.gz YLEQUDMLSYSRGJ-LLVKDONJSA-N 1 0 337.380 -1.185 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001150984775 793193847 /nfs/dbraw/zinc/19/38/47/793193847.db2.gz YLEQUDMLSYSRGJ-NSHDSACASA-N 1 0 337.380 -1.185 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150984783 793193827 /nfs/dbraw/zinc/19/38/27/793193827.db2.gz YSJJLPBBEWCAJJ-UHFFFAOYSA-N 1 0 325.369 -1.423 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)CS(C)(=O)=O ZINC001150984785 789654547 /nfs/dbraw/zinc/65/45/47/789654547.db2.gz YTRYIIDRAHLDDX-SECBINFHSA-N 1 0 346.409 -1.514 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)CS(C)(=O)=O ZINC001150984786 789654426 /nfs/dbraw/zinc/65/44/26/789654426.db2.gz YTRYIIDRAHLDDX-VIFPVBQESA-N 1 0 346.409 -1.514 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001150984807 793193656 /nfs/dbraw/zinc/19/36/56/793193656.db2.gz ZTDDHAYSGQLDMI-JTQLQIEISA-N 1 0 325.369 -1.151 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001150984808 793193764 /nfs/dbraw/zinc/19/37/64/793193764.db2.gz ZTDDHAYSGQLDMI-SNVBAGLBSA-N 1 0 325.369 -1.151 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150995718 793193501 /nfs/dbraw/zinc/19/35/01/793193501.db2.gz AIMCDKGAPOXYFB-UHFFFAOYSA-N 1 0 334.442 -2.099 20 0 EAADRO Cc1nocc1C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150995737 793193628 /nfs/dbraw/zinc/19/36/28/793193628.db2.gz BHDCQLCJQLTZKE-UHFFFAOYSA-N 1 0 330.410 -1.081 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001150995806 793193565 /nfs/dbraw/zinc/19/35/65/793193565.db2.gz GBBYNQCSDJSMIM-LLVKDONJSA-N 1 0 332.426 -2.299 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NCC[NH2+][C@H]1CCCNC1=O ZINC001150995807 793193864 /nfs/dbraw/zinc/19/38/64/793193864.db2.gz GBBYNQCSDJSMIM-NSHDSACASA-N 1 0 332.426 -2.299 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1)NC1CC1 ZINC001150995808 793193802 /nfs/dbraw/zinc/19/38/02/793193802.db2.gz GEEYFMQOXOUQTD-UHFFFAOYSA-N 1 0 332.426 -2.299 20 0 EAADRO Cn1nccc1C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996113 793193856 /nfs/dbraw/zinc/19/38/56/793193856.db2.gz GIRKTDACJIDFOC-UHFFFAOYSA-N 1 0 329.426 -1.644 20 0 EAADRO O=C(C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1)NCC1CC1 ZINC001150996123 793194114 /nfs/dbraw/zinc/19/41/14/793194114.db2.gz GZVDHZPRNLTPKF-UHFFFAOYSA-N 1 0 346.453 -2.051 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NCC[NH2+]CC(=O)N1CCC1 ZINC001150996142 793194018 /nfs/dbraw/zinc/19/40/18/793194018.db2.gz HTCPPUQICHJPOY-UHFFFAOYSA-N 1 0 332.426 -2.345 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996229 793193932 /nfs/dbraw/zinc/19/39/32/793193932.db2.gz JNYOULXRBGCIGG-UHFFFAOYSA-N 1 0 348.469 -1.663 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996245 793193979 /nfs/dbraw/zinc/19/39/79/793193979.db2.gz JWMKNULOPUTHEX-UHFFFAOYSA-N 1 0 348.469 -1.709 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996269 793193524 /nfs/dbraw/zinc/19/35/24/793193524.db2.gz KDGQGOYAUDIEIR-UHFFFAOYSA-N 1 0 348.469 -1.661 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC001150996569 793193572 /nfs/dbraw/zinc/19/35/72/793193572.db2.gz KKBYVAFEVROOFM-UHFFFAOYSA-N 1 0 346.453 -1.957 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996594 793194011 /nfs/dbraw/zinc/19/40/11/793194011.db2.gz KVZATJBMZLACOZ-UHFFFAOYSA-N 1 0 344.441 -1.766 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001150996688 793194102 /nfs/dbraw/zinc/19/41/02/793194102.db2.gz LPYPQGBCQAMIOZ-UHFFFAOYSA-N 1 0 346.453 -1.955 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996787 789655674 /nfs/dbraw/zinc/65/56/74/789655674.db2.gz MVODUJHHTFZQLM-UHFFFAOYSA-N 1 0 335.386 -3.383 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996829 789655414 /nfs/dbraw/zinc/65/54/14/789655414.db2.gz NXGDHHQCWRUAOW-UHFFFAOYSA-N 1 0 343.453 -1.335 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001150997132 793193561 /nfs/dbraw/zinc/19/35/61/793193561.db2.gz OEFXSOZOGLNOHE-CYBMUJFWSA-N 1 0 333.454 -1.151 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001150997139 793194138 /nfs/dbraw/zinc/19/41/38/793194138.db2.gz OEFXSOZOGLNOHE-ZDUSSCGKSA-N 1 0 333.454 -1.151 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150997186 793193465 /nfs/dbraw/zinc/19/34/65/793193465.db2.gz OZQNGTCLHLNPGN-UHFFFAOYSA-N 1 0 330.414 -2.249 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150997210 793193424 /nfs/dbraw/zinc/19/34/24/793193424.db2.gz PCVIBDVSIAGBSY-UHFFFAOYSA-N 1 0 341.455 -2.533 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150997261 789655593 /nfs/dbraw/zinc/65/55/93/789655593.db2.gz POLUFHQWCGIQHI-UHFFFAOYSA-N 1 0 349.413 -3.122 20 0 EAADRO Cn1cc(C[NH2+]CCNC(=O)CN2CCS(=O)(=O)CC2)cn1 ZINC001150997273 789655459 /nfs/dbraw/zinc/65/54/59/789655459.db2.gz PWZPIXYARLRLJZ-UHFFFAOYSA-N 1 0 329.426 -1.644 20 0 EAADRO Cn1cncc1C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150997315 793193634 /nfs/dbraw/zinc/19/36/34/793193634.db2.gz ROMDIDGDBRKWBZ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/19/40/92/793194092.db2.gz AMPIDDIXKOAELF-UHFFFAOYSA-N 1 0 341.437 -1.279 20 0 EAADRO C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CN2CCS(=O)(=O)CC2)O1 ZINC001151002925 793193589 /nfs/dbraw/zinc/19/35/89/793193589.db2.gz DEIGBHRWEXBJPD-CHWSQXEVSA-N 1 0 333.454 -1.010 20 0 EAADRO C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CN2CCS(=O)(=O)CC2)O1 ZINC001151002926 793193519 /nfs/dbraw/zinc/19/35/19/793193519.db2.gz DEIGBHRWEXBJPD-OLZOCXBDSA-N 1 0 333.454 -1.010 20 0 EAADRO C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CN2CCS(=O)(=O)CC2)O1 ZINC001151002927 793193684 /nfs/dbraw/zinc/19/36/84/793193684.db2.gz DEIGBHRWEXBJPD-QWHCGFSZSA-N 1 0 333.454 -1.010 20 0 EAADRO C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CN2CCS(=O)(=O)CC2)O1 ZINC001151002928 793193514 /nfs/dbraw/zinc/19/35/14/793193514.db2.gz DEIGBHRWEXBJPD-STQMWFEESA-N 1 0 333.454 -1.010 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCNC(=O)CN2CCS(=O)(=O)CC2)C1=O ZINC001151003004 793193752 /nfs/dbraw/zinc/19/37/52/793193752.db2.gz HCRBRCRIOADFOP-GFCCVEGCSA-N 1 0 346.453 -1.957 20 0 EAADRO 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CS(=O)(=O)CC[NH2+]CCNC(=O)Cc1nc2ncccn2n1 ZINC001151058226 793196696 /nfs/dbraw/zinc/19/66/96/793196696.db2.gz YBFWTGUAWYEVEL-UHFFFAOYSA-N 1 0 326.382 -1.583 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCNCc2nc(CS(C)(=O)=O)no2)C1 ZINC001151064341 789670557 /nfs/dbraw/zinc/67/05/57/789670557.db2.gz AFMMOHKFOLKIPT-JTQLQIEISA-N 1 0 345.425 -1.228 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNCc2nc(CS(C)(=O)=O)no2)C1 ZINC001151064342 793197167 /nfs/dbraw/zinc/19/71/67/793197167.db2.gz AFMMOHKFOLKIPT-SNVBAGLBSA-N 1 0 345.425 -1.228 20 0 EAADRO Cn1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)n1 ZINC001151080034 789672264 /nfs/dbraw/zinc/67/22/64/789672264.db2.gz CZKJSPOCOMHHDJ-UHFFFAOYSA-N 1 0 336.396 -1.537 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccn(C)n1 ZINC001151080309 789672361 /nfs/dbraw/zinc/67/23/61/789672361.db2.gz HIFAJOCBUCFYLG-UHFFFAOYSA-N 1 0 347.441 -1.305 20 0 EAADRO COCCC1(NC(=O)CN2CN=NC2=O)CC[NH+](CCO)CC1 ZINC001151080817 793196791 /nfs/dbraw/zinc/19/67/91/793196791.db2.gz 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Cc1nccn1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001151121930 793196031 /nfs/dbraw/zinc/19/60/31/793196031.db2.gz NRYSLKZQNJMACF-LBPRGKRZSA-N 1 0 337.380 -1.593 20 0 EAADRO Cc1nccn1CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001151146992 793198120 /nfs/dbraw/zinc/19/81/20/793198120.db2.gz CFCQWUZGBMGISV-LLVKDONJSA-N 1 0 338.412 -1.510 20 0 EAADRO Cc1nccn1CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001151146993 793198039 /nfs/dbraw/zinc/19/80/39/793198039.db2.gz CFCQWUZGBMGISV-NSHDSACASA-N 1 0 338.412 -1.510 20 0 EAADRO Cc1nccn1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001151147440 793199718 /nfs/dbraw/zinc/19/97/18/793199718.db2.gz NZGFFKSBXIBJKI-UHFFFAOYSA-N 1 0 334.380 -1.505 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCN[C@@H](C)c1nnnn1C ZINC001151159878 793198442 /nfs/dbraw/zinc/19/84/42/793198442.db2.gz UVTFTFZCXQUDSJ-NEPJUHHUSA-N 1 0 325.417 -1.055 20 0 EAADRO C[C@@H](NCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1nnnn1C ZINC001151159881 793199779 /nfs/dbraw/zinc/19/97/79/793199779.db2.gz 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ZINC001151167246 793198544 /nfs/dbraw/zinc/19/85/44/793198544.db2.gz FRIFYNAVNCHOIP-QMMMGPOBSA-N 1 0 338.368 -1.333 20 0 EAADRO COCCC1(NC(=O)C[C@@H]2NC(=O)NC2=O)CC[NH+](CCO)CC1 ZINC001151168990 793198405 /nfs/dbraw/zinc/19/84/05/793198405.db2.gz VRGOLRVTIHFBGH-NSHDSACASA-N 1 0 342.396 -1.436 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151172924 793198863 /nfs/dbraw/zinc/19/88/63/793198863.db2.gz AEENSUDZZVUQTF-UHFFFAOYSA-N 1 0 325.369 -1.414 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)c[nH]1 ZINC001151173023 789683949 /nfs/dbraw/zinc/68/39/49/789683949.db2.gz BYKVFPIEWSMOCK-NSHDSACASA-N 1 0 337.380 -1.584 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173041 789685833 /nfs/dbraw/zinc/68/58/33/789685833.db2.gz CEOUSVUMNZSNRO-UHFFFAOYSA-N 1 0 325.369 -1.414 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)c[nH]1 ZINC001151173095 793199674 /nfs/dbraw/zinc/19/96/74/793199674.db2.gz DMPJMWRAAKERDG-UHFFFAOYSA-N 1 0 337.380 -1.272 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)c[nH]1 ZINC001151173601 793199192 /nfs/dbraw/zinc/19/91/92/793199192.db2.gz FQQKELRYBJHBAQ-UHFFFAOYSA-N 1 0 336.352 -1.579 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)c[nH]1 ZINC001151173612 793199634 /nfs/dbraw/zinc/19/96/34/793199634.db2.gz FXVXZFSJOBZDAN-UHFFFAOYSA-N 1 0 331.336 -1.138 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)c[nH]1 ZINC001151173686 793199464 /nfs/dbraw/zinc/19/94/64/793199464.db2.gz HYLTZPHSFODCFC-UHFFFAOYSA-N 1 0 337.365 -1.077 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173708 793198101 /nfs/dbraw/zinc/19/81/01/793198101.db2.gz IHDUYNFITGJUMB-UHFFFAOYSA-N 1 0 345.425 -1.238 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173736 793199293 /nfs/dbraw/zinc/19/92/93/793199293.db2.gz IUKMHXOILQTFOJ-CMPLNLGQSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173739 793199081 /nfs/dbraw/zinc/19/90/81/793199081.db2.gz IUKMHXOILQTFOJ-JQWIXIFHSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173740 793199218 /nfs/dbraw/zinc/19/92/18/793199218.db2.gz IUKMHXOILQTFOJ-PWSUYJOCSA-N 1 0 342.396 -1.155 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173742 793199650 /nfs/dbraw/zinc/19/96/50/793199650.db2.gz IUKMHXOILQTFOJ-ZYHUDNBSSA-N 1 0 342.396 -1.155 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173968 793198289 /nfs/dbraw/zinc/19/82/89/793198289.db2.gz JUGFDBFPEFFTHS-UHFFFAOYSA-N 1 0 338.368 -1.331 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1)S(C)(=O)=O ZINC001151174003 793199363 /nfs/dbraw/zinc/19/93/63/793199363.db2.gz KTYRIOWBHSKETC-UHFFFAOYSA-N 1 0 331.398 -1.676 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)c[nH]1 ZINC001151174010 793199585 /nfs/dbraw/zinc/19/95/85/793199585.db2.gz LBYATIYIDSDQEF-SECBINFHSA-N 1 0 328.394 -1.132 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)c[nH]1 ZINC001151174011 793199481 /nfs/dbraw/zinc/19/94/81/793199481.db2.gz LBYATIYIDSDQEF-VIFPVBQESA-N 1 0 328.394 -1.132 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174398 793199006 /nfs/dbraw/zinc/19/90/06/793199006.db2.gz QOVJBKJAZKOWCS-LLVKDONJSA-N 1 0 328.369 -1.543 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174399 793198977 /nfs/dbraw/zinc/19/89/77/793198977.db2.gz QOVJBKJAZKOWCS-NSHDSACASA-N 1 0 328.369 -1.543 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)c[nH]1 ZINC001151174424 793199303 /nfs/dbraw/zinc/19/93/03/793199303.db2.gz RPHIGXSGTNDFRH-LLVKDONJSA-N 1 0 337.380 -1.272 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)c[nH]1 ZINC001151174425 793198841 /nfs/dbraw/zinc/19/88/41/793198841.db2.gz RPHIGXSGTNDFRH-NSHDSACASA-N 1 0 337.380 -1.272 20 0 EAADRO NC(=O)c1cc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)c[nH]1 ZINC001151174585 793199142 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NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001151179144 793199426 /nfs/dbraw/zinc/19/94/26/793199426.db2.gz PANIHIAYLVXKFG-UHFFFAOYSA-N 1 0 332.320 -1.150 20 0 EAADRO COCCC1(NC(=O)Cn2ncn(C)c2=O)CC[NH+](CCO)CC1 ZINC001151180251 793199541 /nfs/dbraw/zinc/19/95/41/793199541.db2.gz GKJISELFGYVBSP-UHFFFAOYSA-N 1 0 341.412 -1.439 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151184086 793198699 /nfs/dbraw/zinc/19/86/99/793198699.db2.gz ACQANNAJZRTOGC-UHFFFAOYSA-N 1 0 331.398 -1.628 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151184566 793199767 /nfs/dbraw/zinc/19/97/67/793199767.db2.gz IPYBPQBXYRERAJ-UHFFFAOYSA-N 1 0 345.425 -1.286 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)c2c[nH]c(C(N)=O)c2)cc(=O)n(C)c1=O ZINC001151184570 793198183 /nfs/dbraw/zinc/19/81/83/793198183.db2.gz IQFVLUMWIOVWJP-UHFFFAOYSA-N 1 0 348.363 -1.969 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151184581 793198602 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NC(=O)c1cncc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001151293122 793201142 /nfs/dbraw/zinc/20/11/42/793201142.db2.gz QWPUSTWCPVYLIZ-UHFFFAOYSA-N 1 0 348.363 -2.542 20 0 EAADRO NC(=O)c1cncc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)c1 ZINC001151293511 793201071 /nfs/dbraw/zinc/20/10/71/793201071.db2.gz UXOCQEROYRYZMT-UHFFFAOYSA-N 1 0 335.364 -1.641 20 0 EAADRO CCN(C)C(=O)C[NH+]1CCC(CCOC)(NC(=O)C(N)=O)CC1 ZINC001151294857 793200993 /nfs/dbraw/zinc/20/09/93/793200993.db2.gz SSIJFOLHQYAVEQ-UHFFFAOYSA-N 1 0 328.413 -1.063 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151299103 789697685 /nfs/dbraw/zinc/69/76/85/789697685.db2.gz ASARTWRTDDUOJP-LLVKDONJSA-N 1 0 330.414 -1.708 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151299104 789698126 /nfs/dbraw/zinc/69/81/26/789698126.db2.gz ASARTWRTDDUOJP-NSHDSACASA-N 1 0 330.414 -1.708 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)on1 ZINC001151299141 789698375 /nfs/dbraw/zinc/69/83/75/789698375.db2.gz 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/nfs/dbraw/zinc/69/83/12/789698312.db2.gz CTSYIHCTTATJBV-QMMMGPOBSA-N 1 0 335.386 -2.770 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001151299522 793202614 /nfs/dbraw/zinc/20/26/14/793202614.db2.gz CYYAAOUFKFSDRE-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001151299523 793202263 /nfs/dbraw/zinc/20/22/63/793202263.db2.gz CYYAAOUFKFSDRE-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001151299524 793203010 /nfs/dbraw/zinc/20/30/10/793203010.db2.gz CYYAAOUFKFSDRE-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001151299525 793202414 /nfs/dbraw/zinc/20/24/14/793202414.db2.gz CYYAAOUFKFSDRE-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)N1CCOCC1 ZINC001151299566 789698386 /nfs/dbraw/zinc/69/83/86/789698386.db2.gz DVLZPNKBPXXHSF-JTQLQIEISA-N 1 0 334.398 -2.757 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)N1CCOCC1 ZINC001151299568 789698030 /nfs/dbraw/zinc/69/80/30/789698030.db2.gz DVLZPNKBPXXHSF-SNVBAGLBSA-N 1 0 334.398 -2.757 20 0 EAADRO CC(C)(C)c1nnc(CNCCNC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151299603 789698255 /nfs/dbraw/zinc/69/82/55/789698255.db2.gz FNBYFPMFBNABRI-SECBINFHSA-N 1 0 344.441 -1.000 20 0 EAADRO CC(C)(C)c1nnc(CNCCNC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151299604 789698299 /nfs/dbraw/zinc/69/82/99/789698299.db2.gz FNBYFPMFBNABRI-VIFPVBQESA-N 1 0 344.441 -1.000 20 0 EAADRO NC(=O)c1cncc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001151299616 793202849 /nfs/dbraw/zinc/20/28/49/793202849.db2.gz FTPGPCRDTYZBEW-UHFFFAOYSA-N 1 0 333.348 -1.351 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)N1CCCCC1 ZINC001151299620 793202001 /nfs/dbraw/zinc/20/20/01/793202001.db2.gz FUGBMOXGJOGHLM-LLVKDONJSA-N 1 0 332.426 -1.604 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)N1CCCCC1 ZINC001151299621 793202811 /nfs/dbraw/zinc/20/28/11/793202811.db2.gz FUGBMOXGJOGHLM-NSHDSACASA-N 1 0 332.426 -1.604 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151299815 793202677 /nfs/dbraw/zinc/20/26/77/793202677.db2.gz GQZWNAWAGUXMMK-JTQLQIEISA-N 1 0 331.398 -1.292 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151299816 793202877 /nfs/dbraw/zinc/20/28/77/793202877.db2.gz GQZWNAWAGUXMMK-SNVBAGLBSA-N 1 0 331.398 -1.292 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NCC(F)(F)F ZINC001151299819 793202246 /nfs/dbraw/zinc/20/22/46/793202246.db2.gz GTVRLXCWFQNURO-SSDOTTSWSA-N 1 0 346.331 -1.938 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC(F)(F)F ZINC001151299820 793201767 /nfs/dbraw/zinc/20/17/67/793201767.db2.gz GTVRLXCWFQNURO-ZETCQYMHSA-N 1 0 346.331 -1.938 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1nccs1 ZINC001151299823 793202565 /nfs/dbraw/zinc/20/25/65/793202565.db2.gz GUTUGMVSSIAIQL-MRVPVSSYSA-N 1 0 347.422 -1.521 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1nccs1 ZINC001151299824 793201891 /nfs/dbraw/zinc/20/18/91/793201891.db2.gz GUTUGMVSSIAIQL-QMMMGPOBSA-N 1 0 347.422 -1.521 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)nn1 ZINC001151299829 793202867 /nfs/dbraw/zinc/20/28/67/793202867.db2.gz GWAPVNATVZWYNG-JTQLQIEISA-N 1 0 329.382 -1.617 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)nn1 ZINC001151299830 793203095 /nfs/dbraw/zinc/20/30/95/793203095.db2.gz GWAPVNATVZWYNG-SNVBAGLBSA-N 1 0 329.382 -1.617 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151299834 793202396 /nfs/dbraw/zinc/20/23/96/793202396.db2.gz HGEXPKWHNRGNMM-JTQLQIEISA-N 1 0 334.442 -1.311 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151299835 793202468 /nfs/dbraw/zinc/20/24/68/793202468.db2.gz HGEXPKWHNRGNMM-SNVBAGLBSA-N 1 0 334.442 -1.311 20 0 EAADRO CC(C)(C)CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151299846 793202122 /nfs/dbraw/zinc/20/21/22/793202122.db2.gz HKNSKSRNECWXGZ-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)(C)CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151299847 793202502 /nfs/dbraw/zinc/20/25/02/793202502.db2.gz HKNSKSRNECWXGZ-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001151299848 793202758 /nfs/dbraw/zinc/20/27/58/793202758.db2.gz HKZSDWAJEZNAAQ-NXEZZACHSA-N 1 0 339.439 -2.181 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001151299849 793201874 /nfs/dbraw/zinc/20/18/74/793201874.db2.gz HKZSDWAJEZNAAQ-UWVGGRQHSA-N 1 0 339.439 -2.181 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)N1 ZINC001151299850 793202832 /nfs/dbraw/zinc/20/28/32/793202832.db2.gz HKZSDWAJEZNAAQ-VHSXEESVSA-N 1 0 339.439 -2.181 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001151299851 793202737 /nfs/dbraw/zinc/20/27/37/793202737.db2.gz HKZSDWAJEZNAAQ-ZJUUUORDSA-N 1 0 339.439 -2.181 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NCc1ccco1 ZINC001151300098 793201748 /nfs/dbraw/zinc/20/17/48/793201748.db2.gz IVRVHACCJJISII-LLVKDONJSA-N 1 0 344.393 -1.707 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NCc1ccco1 ZINC001151300099 793202229 /nfs/dbraw/zinc/20/22/29/793202229.db2.gz IVRVHACCJJISII-NSHDSACASA-N 1 0 344.393 -1.707 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300155 793202021 /nfs/dbraw/zinc/20/20/21/793202021.db2.gz KKHJHBBKXDIAIJ-SECBINFHSA-N 1 0 349.413 -2.380 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300156 793201981 /nfs/dbraw/zinc/20/19/81/793201981.db2.gz KKHJHBBKXDIAIJ-VIFPVBQESA-N 1 0 349.413 -2.380 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC1CCOCC1 ZINC001151300158 793202822 /nfs/dbraw/zinc/20/28/22/793202822.db2.gz KMFGWIUGCCPXDM-LLVKDONJSA-N 1 0 348.425 -2.321 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC1CCOCC1 ZINC001151300160 793202320 /nfs/dbraw/zinc/20/23/20/793202320.db2.gz KMFGWIUGCCPXDM-NSHDSACASA-N 1 0 348.425 -2.321 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC(=O)NC1CC1 ZINC001151300161 793201925 /nfs/dbraw/zinc/20/19/25/793201925.db2.gz KORAYGGSGHPDNY-SECBINFHSA-N 1 0 347.397 -2.628 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC(=O)NC1CC1 ZINC001151300163 793202285 /nfs/dbraw/zinc/20/22/85/793202285.db2.gz KORAYGGSGHPDNY-VIFPVBQESA-N 1 0 347.397 -2.628 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)S(C)(=O)=O ZINC001151300191 789697775 /nfs/dbraw/zinc/69/77/75/789697775.db2.gz KUXINZCFRQKZTR-SECBINFHSA-N 1 0 342.443 -2.725 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)S(C)(=O)=O ZINC001151300194 789698046 /nfs/dbraw/zinc/69/80/46/789698046.db2.gz KUXINZCFRQKZTR-VIFPVBQESA-N 1 0 342.443 -2.725 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300208 789697949 /nfs/dbraw/zinc/69/79/49/789697949.db2.gz KZLOYDYKJLPUIV-GHMZBOCLSA-N 1 0 339.414 -2.592 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300210 789698093 /nfs/dbraw/zinc/69/80/93/789698093.db2.gz KZLOYDYKJLPUIV-MNOVXSKESA-N 1 0 339.414 -2.592 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300212 789698361 /nfs/dbraw/zinc/69/83/61/789698361.db2.gz KZLOYDYKJLPUIV-QWRGUYRKSA-N 1 0 339.414 -2.592 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300213 789698000 /nfs/dbraw/zinc/69/80/00/789698000.db2.gz KZLOYDYKJLPUIV-WDEREUQCSA-N 1 0 339.414 -2.592 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300413 789697919 /nfs/dbraw/zinc/69/79/19/789697919.db2.gz LIVJJTQOFDWNOZ-LLVKDONJSA-N 1 0 332.426 -1.748 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300414 789700061 /nfs/dbraw/zinc/70/00/61/789700061.db2.gz LIVJJTQOFDWNOZ-NSHDSACASA-N 1 0 332.426 -1.748 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)N1CCNC(=O)C1 ZINC001151300427 789700346 /nfs/dbraw/zinc/70/03/46/789700346.db2.gz LSQCIGITIHQPOT-SECBINFHSA-N 1 0 347.397 -3.658 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)N1CCNC(=O)C1 ZINC001151300432 789699481 /nfs/dbraw/zinc/69/94/81/789699481.db2.gz LSQCIGITIHQPOT-VIFPVBQESA-N 1 0 347.397 -3.658 20 0 EAADRO COc1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)ccn1 ZINC001151300447 789699420 /nfs/dbraw/zinc/69/94/20/789699420.db2.gz MHBHBIQDBXQJSW-LLVKDONJSA-N 1 0 328.394 -1.012 20 0 EAADRO COc1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)ccn1 ZINC001151300448 789697416 /nfs/dbraw/zinc/69/74/16/789697416.db2.gz MHBHBIQDBXQJSW-NSHDSACASA-N 1 0 328.394 -1.012 20 0 EAADRO C[C@@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300498 793202778 /nfs/dbraw/zinc/20/27/78/793202778.db2.gz MPFIILQGYBUCTI-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300500 793202994 /nfs/dbraw/zinc/20/29/94/793202994.db2.gz MPFIILQGYBUCTI-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300502 793202211 /nfs/dbraw/zinc/20/22/11/793202211.db2.gz MPFIILQGYBUCTI-RYUDHWBXSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300504 793201790 /nfs/dbraw/zinc/20/17/90/793201790.db2.gz MPFIILQGYBUCTI-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151300525 789699400 /nfs/dbraw/zinc/69/94/00/789699400.db2.gz MYLDVGWZSICYTH-JTQLQIEISA-N 1 0 329.382 -1.617 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151300526 789700209 /nfs/dbraw/zinc/70/02/09/789700209.db2.gz MYLDVGWZSICYTH-SNVBAGLBSA-N 1 0 329.382 -1.617 20 0 EAADRO CCn1cc(CC[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)cn1 ZINC001151300542 789699858 /nfs/dbraw/zinc/69/98/58/789699858.db2.gz NDHQOXOAHRNBTD-GFCCVEGCSA-N 1 0 329.426 -1.157 20 0 EAADRO CCn1cc(CC[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 ZINC001151300545 789699515 /nfs/dbraw/zinc/69/95/15/789699515.db2.gz NDHQOXOAHRNBTD-LBPRGKRZSA-N 1 0 329.426 -1.157 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC[C@H]1CCCO1 ZINC001151300691 793202901 /nfs/dbraw/zinc/20/29/01/793202901.db2.gz OBDAQQYSRQFFGC-GHMZBOCLSA-N 1 0 348.425 -2.321 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC[C@H]1CCCO1 ZINC001151300692 793201860 /nfs/dbraw/zinc/20/18/60/793201860.db2.gz OBDAQQYSRQFFGC-MNOVXSKESA-N 1 0 348.425 -2.321 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC[C@@H]1CCCO1 ZINC001151300693 793202155 /nfs/dbraw/zinc/20/21/55/793202155.db2.gz OBDAQQYSRQFFGC-QWRGUYRKSA-N 1 0 348.425 -2.321 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC[C@@H]1CCCO1 ZINC001151300694 793202173 /nfs/dbraw/zinc/20/21/73/793202173.db2.gz OBDAQQYSRQFFGC-WDEREUQCSA-N 1 0 348.425 -2.321 20 0 EAADRO COc1ncccc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300701 793202882 /nfs/dbraw/zinc/20/28/82/793202882.db2.gz OGOZJHGIIUFKJD-LLVKDONJSA-N 1 0 328.394 -1.012 20 0 EAADRO COc1ncccc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300702 793202083 /nfs/dbraw/zinc/20/20/83/793202083.db2.gz OGOZJHGIIUFKJD-NSHDSACASA-N 1 0 328.394 -1.012 20 0 EAADRO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151300707 793202975 /nfs/dbraw/zinc/20/29/75/793202975.db2.gz OLFHPWHPWCMQQL-GFCCVEGCSA-N 1 0 329.426 -1.103 20 0 EAADRO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151300708 793202726 /nfs/dbraw/zinc/20/27/26/793202726.db2.gz OLFHPWHPWCMQQL-LBPRGKRZSA-N 1 0 329.426 -1.103 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC1CCCC1 ZINC001151301034 789700094 /nfs/dbraw/zinc/70/00/94/789700094.db2.gz QLALMADNHKTKQW-LLVKDONJSA-N 1 0 332.426 -1.557 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC1CCCC1 ZINC001151301037 789699323 /nfs/dbraw/zinc/69/93/23/789699323.db2.gz QLALMADNHKTKQW-NSHDSACASA-N 1 0 332.426 -1.557 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CC(F)(F)F)[C@H]1CCS(=O)(=O)N1 ZINC001151301049 789699866 /nfs/dbraw/zinc/69/98/66/789699866.db2.gz QREZNTSXLDTLJS-HTQZYQBOSA-N 1 0 333.332 -1.303 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1CCS(=O)(=O)N1 ZINC001151301054 789699880 /nfs/dbraw/zinc/69/98/80/789699880.db2.gz QREZNTSXLDTLJS-JGVFFNPUSA-N 1 0 333.332 -1.303 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1CCS(=O)(=O)N1 ZINC001151301056 789699338 /nfs/dbraw/zinc/69/93/38/789699338.db2.gz QREZNTSXLDTLJS-SFYZADRCSA-N 1 0 333.332 -1.303 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1CCS(=O)(=O)N1 ZINC001151301057 789699476 /nfs/dbraw/zinc/69/94/76/789699476.db2.gz QREZNTSXLDTLJS-YUMQZZPRSA-N 1 0 333.332 -1.303 20 0 EAADRO Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)cc1=O ZINC001151301128 789700867 /nfs/dbraw/zinc/70/08/67/789700867.db2.gz RLBIMGANZZZQSY-LLVKDONJSA-N 1 0 328.394 -1.717 20 0 EAADRO Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1=O ZINC001151301129 789701295 /nfs/dbraw/zinc/70/12/95/789701295.db2.gz RLBIMGANZZZQSY-NSHDSACASA-N 1 0 328.394 -1.717 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001151301150 789702276 /nfs/dbraw/zinc/70/22/76/789702276.db2.gz RYFLJDWPMATYPY-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001151301151 789701555 /nfs/dbraw/zinc/70/15/55/789701555.db2.gz RYFLJDWPMATYPY-LBPRGKRZSA-N 1 0 346.453 -1.358 20 0 EAADRO NC(=O)c1cncc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC001151301154 789701409 /nfs/dbraw/zinc/70/14/09/789701409.db2.gz RZUWJTBXEBKLLQ-CYBMUJFWSA-N 1 0 332.364 -1.243 20 0 EAADRO NC(=O)c1cncc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC001151301155 789701988 /nfs/dbraw/zinc/70/19/88/789701988.db2.gz RZUWJTBXEBKLLQ-ZDUSSCGKSA-N 1 0 332.364 -1.243 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)no1 ZINC001151301156 789701534 /nfs/dbraw/zinc/70/15/34/789701534.db2.gz SAEONHAONUXTLO-SECBINFHSA-N 1 0 345.381 -1.681 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)no1 ZINC001151301157 789701842 /nfs/dbraw/zinc/70/18/42/789701842.db2.gz SAEONHAONUXTLO-VIFPVBQESA-N 1 0 345.381 -1.681 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1cnccn1 ZINC001151301167 789700024 /nfs/dbraw/zinc/70/00/24/789700024.db2.gz SDRVTORTYXFOOL-SECBINFHSA-N 1 0 342.381 -2.187 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1cnccn1 ZINC001151301168 789699907 /nfs/dbraw/zinc/69/99/07/789699907.db2.gz SDRVTORTYXFOOL-VIFPVBQESA-N 1 0 342.381 -2.187 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151301380 789699262 /nfs/dbraw/zinc/69/92/62/789699262.db2.gz SMLLIHUYPFXGRQ-JTQLQIEISA-N 1 0 336.414 -2.463 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151301381 789699549 /nfs/dbraw/zinc/69/95/49/789699549.db2.gz SMLLIHUYPFXGRQ-SNVBAGLBSA-N 1 0 336.414 -2.463 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NCC1CCC1 ZINC001151301409 793203030 /nfs/dbraw/zinc/20/30/30/793203030.db2.gz TXJGUONFMYXLCL-LLVKDONJSA-N 1 0 332.426 -1.700 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC1CCC1 ZINC001151301410 793202451 /nfs/dbraw/zinc/20/24/51/793202451.db2.gz TXJGUONFMYXLCL-NSHDSACASA-N 1 0 332.426 -1.700 20 0 EAADRO NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC001151301425 793201811 /nfs/dbraw/zinc/20/18/11/793201811.db2.gz UGDGFQWYNQSJPV-GFCCVEGCSA-N 1 0 340.405 -1.317 20 0 EAADRO NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC001151301426 793202955 /nfs/dbraw/zinc/20/29/55/793202955.db2.gz UGDGFQWYNQSJPV-LBPRGKRZSA-N 1 0 340.405 -1.317 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151301669 789700262 /nfs/dbraw/zinc/70/02/62/789700262.db2.gz VFJHYTROUHESOE-GHMZBOCLSA-N 1 0 334.442 -1.455 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151301670 789699411 /nfs/dbraw/zinc/69/94/11/789699411.db2.gz VFJHYTROUHESOE-MNOVXSKESA-N 1 0 334.442 -1.455 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151301671 789699811 /nfs/dbraw/zinc/69/98/11/789699811.db2.gz VFJHYTROUHESOE-QWRGUYRKSA-N 1 0 334.442 -1.455 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151301672 789699245 /nfs/dbraw/zinc/69/92/45/789699245.db2.gz VFJHYTROUHESOE-WDEREUQCSA-N 1 0 334.442 -1.455 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)cn1 ZINC001151301681 793202361 /nfs/dbraw/zinc/20/23/61/793202361.db2.gz VMKMTLOAULVXCK-LLVKDONJSA-N 1 0 328.394 -1.012 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 ZINC001151301682 793202580 /nfs/dbraw/zinc/20/25/80/793202580.db2.gz VMKMTLOAULVXCK-NSHDSACASA-N 1 0 328.394 -1.012 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)c(C)n1 ZINC001151301683 793202945 /nfs/dbraw/zinc/20/29/45/793202945.db2.gz VMNYXXTXMFLLKI-LLVKDONJSA-N 1 0 343.409 -1.309 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)c(C)n1 ZINC001151301684 793203043 /nfs/dbraw/zinc/20/30/43/793203043.db2.gz VMNYXXTXMFLLKI-NSHDSACASA-N 1 0 343.409 -1.309 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)N1 ZINC001151301737 793201906 /nfs/dbraw/zinc/20/19/06/793201906.db2.gz WHNMTYXWASWESI-KBPBESRZSA-N 1 0 341.433 -1.013 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)N1 ZINC001151301738 793202669 /nfs/dbraw/zinc/20/26/69/793202669.db2.gz WHNMTYXWASWESI-KGLIPLIRSA-N 1 0 341.433 -1.013 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCS(=O)(=O)N1 ZINC001151301739 793202539 /nfs/dbraw/zinc/20/25/39/793202539.db2.gz WHNMTYXWASWESI-UONOGXRCSA-N 1 0 341.433 -1.013 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCS(=O)(=O)N1 ZINC001151301740 793202492 /nfs/dbraw/zinc/20/24/92/793202492.db2.gz WHNMTYXWASWESI-ZIAGYGMSSA-N 1 0 341.433 -1.013 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151301797 789701397 /nfs/dbraw/zinc/70/13/97/789701397.db2.gz WNONPFXDXKBNCJ-LLVKDONJSA-N 1 0 336.414 -2.463 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151301799 789701065 /nfs/dbraw/zinc/70/10/65/789701065.db2.gz WNONPFXDXKBNCJ-NSHDSACASA-N 1 0 336.414 -2.463 20 0 EAADRO COCCC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[NH+](CCO)CC1 ZINC001151302024 789704916 /nfs/dbraw/zinc/70/49/16/789704916.db2.gz CUFHIINGQHUKRO-QWHCGFSZSA-N 1 0 343.424 -1.001 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151302075 789701437 /nfs/dbraw/zinc/70/14/37/789701437.db2.gz XKKZYIYCZPIFME-JTQLQIEISA-N 1 0 330.414 -1.496 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151302077 789701250 /nfs/dbraw/zinc/70/12/50/789701250.db2.gz XKKZYIYCZPIFME-SNVBAGLBSA-N 1 0 330.414 -1.496 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151302088 793202929 /nfs/dbraw/zinc/20/29/29/793202929.db2.gz XUVVHSBWRQLNJK-JTQLQIEISA-N 1 0 336.414 -2.463 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151302090 793202858 /nfs/dbraw/zinc/20/28/58/793202858.db2.gz XUVVHSBWRQLNJK-SNVBAGLBSA-N 1 0 336.414 -2.463 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)N1CCCCCC1 ZINC001151302091 793203081 /nfs/dbraw/zinc/20/30/81/793203081.db2.gz XVWJOXGKHIZBMP-GFCCVEGCSA-N 1 0 346.453 -1.214 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)N1CCCCCC1 ZINC001151302092 793203019 /nfs/dbraw/zinc/20/30/19/793203019.db2.gz XVWJOXGKHIZBMP-LBPRGKRZSA-N 1 0 346.453 -1.214 20 0 EAADRO COc1ccnc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)c1 ZINC001151302106 793202522 /nfs/dbraw/zinc/20/25/22/793202522.db2.gz YIIVHPLSFSXSSU-GFCCVEGCSA-N 1 0 328.394 -1.012 20 0 EAADRO COc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 ZINC001151302108 793203049 /nfs/dbraw/zinc/20/30/49/793203049.db2.gz YIIVHPLSFSXSSU-LBPRGKRZSA-N 1 0 328.394 -1.012 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1nncs1 ZINC001151302129 793203001 /nfs/dbraw/zinc/20/30/01/793203001.db2.gz YSEWOXLSNQOLBL-SSDOTTSWSA-N 1 0 348.410 -2.126 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1nncs1 ZINC001151302130 793202095 /nfs/dbraw/zinc/20/20/95/793202095.db2.gz YSEWOXLSNQOLBL-ZETCQYMHSA-N 1 0 348.410 -2.126 20 0 EAADRO O=C(NCC[NH2+]CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)N1 ZINC001151302132 793202439 /nfs/dbraw/zinc/20/24/39/793202439.db2.gz YUGZAGZJLJBBKU-JTQLQIEISA-N 1 0 335.817 -1.066 20 0 EAADRO O=C(NCC[NH2+]CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)N1 ZINC001151302135 793202982 /nfs/dbraw/zinc/20/29/82/793202982.db2.gz YUGZAGZJLJBBKU-SNVBAGLBSA-N 1 0 335.817 -1.066 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151302153 793203666 /nfs/dbraw/zinc/20/36/66/793203666.db2.gz ZBAPMADHABDOHS-QWRGUYRKSA-N 1 0 348.425 -2.633 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)N1 ZINC001151302157 793204200 /nfs/dbraw/zinc/20/42/00/793204200.db2.gz ZBAPMADHABDOHS-WDEREUQCSA-N 1 0 348.425 -2.633 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151302167 793204112 /nfs/dbraw/zinc/20/41/12/793204112.db2.gz ZCUOTAQQDHLSRQ-BDAKNGLRSA-N 1 0 349.413 -2.382 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151302168 793204256 /nfs/dbraw/zinc/20/42/56/793204256.db2.gz ZCUOTAQQDHLSRQ-DTWKUNHWSA-N 1 0 349.413 -2.382 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151302169 793204363 /nfs/dbraw/zinc/20/43/63/793204363.db2.gz ZCUOTAQQDHLSRQ-IUCAKERBSA-N 1 0 349.413 -2.382 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151302170 793204371 /nfs/dbraw/zinc/20/43/71/793204371.db2.gz ZCUOTAQQDHLSRQ-RKDXNWHRSA-N 1 0 349.413 -2.382 20 0 EAADRO COc1cccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151302184 789705864 /nfs/dbraw/zinc/70/58/64/789705864.db2.gz ZMXROSGVLFDPIL-LLVKDONJSA-N 1 0 328.394 -1.012 20 0 EAADRO COc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151302186 789704878 /nfs/dbraw/zinc/70/48/78/789704878.db2.gz ZMXROSGVLFDPIL-NSHDSACASA-N 1 0 328.394 -1.012 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC1CCCCC1 ZINC001151302199 793203710 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20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)CS(C)(=O)=O ZINC001151306213 793204186 /nfs/dbraw/zinc/20/41/86/793204186.db2.gz BUWLMIFAWWGIIV-NXEZZACHSA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CS(C)(=O)=O ZINC001151306214 793203788 /nfs/dbraw/zinc/20/37/88/793203788.db2.gz BUWLMIFAWWGIIV-UWVGGRQHSA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)CS(C)(=O)=O ZINC001151306215 793204357 /nfs/dbraw/zinc/20/43/57/793204357.db2.gz BUWLMIFAWWGIIV-VHSXEESVSA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CS(C)(=O)=O ZINC001151306216 793204102 /nfs/dbraw/zinc/20/41/02/793204102.db2.gz BUWLMIFAWWGIIV-ZJUUUORDSA-N 1 0 341.455 -1.935 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306225 790318579 /nfs/dbraw/zinc/31/85/79/790318579.db2.gz CAYIHWREGMILGL-JTQLQIEISA-N 1 0 341.455 -1.791 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306226 790319366 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EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306306 790318931 /nfs/dbraw/zinc/31/89/31/790318931.db2.gz DYZBABUBYPSAGH-QWRGUYRKSA-N 1 0 334.442 -1.361 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306307 790319402 /nfs/dbraw/zinc/31/94/02/790319402.db2.gz DYZBABUBYPSAGH-WDEREUQCSA-N 1 0 334.442 -1.361 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC[C@H]1CCOC1 ZINC001151306309 790318953 /nfs/dbraw/zinc/31/89/53/790318953.db2.gz FENZSQHNZUBIDD-GHMZBOCLSA-N 1 0 348.425 -2.463 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC[C@H]1CCOC1 ZINC001151306310 790318604 /nfs/dbraw/zinc/31/86/04/790318604.db2.gz FENZSQHNZUBIDD-MNOVXSKESA-N 1 0 348.425 -2.463 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC[C@@H]1CCOC1 ZINC001151306311 790319344 /nfs/dbraw/zinc/31/93/44/790319344.db2.gz FENZSQHNZUBIDD-QWRGUYRKSA-N 1 0 348.425 -2.463 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)NC[C@@H]1CCOC1 ZINC001151306312 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332.426 -1.604 20 0 EAADRO O=C(NCC[NH2+]CCCN1CCCC1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306433 790321610 /nfs/dbraw/zinc/32/16/10/790321610.db2.gz HLAHRKWSYWGWRP-NSHDSACASA-N 1 0 332.426 -1.604 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306434 790320194 /nfs/dbraw/zinc/32/01/94/790320194.db2.gz HMUXCZSTUJAICG-GHMZBOCLSA-N 1 0 334.442 -1.311 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306435 790320166 /nfs/dbraw/zinc/32/01/66/790320166.db2.gz HMUXCZSTUJAICG-MNOVXSKESA-N 1 0 334.442 -1.311 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306436 790321219 /nfs/dbraw/zinc/32/12/19/790321219.db2.gz HMUXCZSTUJAICG-QWRGUYRKSA-N 1 0 334.442 -1.311 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306437 790321551 /nfs/dbraw/zinc/32/15/51/790321551.db2.gz HMUXCZSTUJAICG-WDEREUQCSA-N 1 0 334.442 -1.311 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCc2ncnn21)[C@H]1CCS(=O)(=O)N1 ZINC001151306438 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EAADRO C[C@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)NC1CCCC1 ZINC001151306449 793204204 /nfs/dbraw/zinc/20/42/04/793204204.db2.gz HQWIRLOSKLBHMJ-CMPLNLGQSA-N 1 0 346.453 -1.169 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)NC1CCCC1 ZINC001151306450 793203879 /nfs/dbraw/zinc/20/38/79/793203879.db2.gz HQWIRLOSKLBHMJ-JQWIXIFHSA-N 1 0 346.453 -1.169 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)NC1CCCC1 ZINC001151306451 793204382 /nfs/dbraw/zinc/20/43/82/793204382.db2.gz HQWIRLOSKLBHMJ-PWSUYJOCSA-N 1 0 346.453 -1.169 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)NC1CCCC1 ZINC001151306452 793204043 /nfs/dbraw/zinc/20/40/43/793204043.db2.gz HQWIRLOSKLBHMJ-ZYHUDNBSSA-N 1 0 346.453 -1.169 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccon1 ZINC001151306468 793204145 /nfs/dbraw/zinc/20/41/45/793204145.db2.gz IFPFHCXKAADESC-MRVPVSSYSA-N 1 0 331.354 -1.989 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccon1 ZINC001151306469 793203931 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CC(=O)NCCOCC[NH2+]CCNC(=O)c1cncc(C(N)=O)c1 ZINC001151318119 793205265 /nfs/dbraw/zinc/20/52/65/793205265.db2.gz KOAVILCSQDYDNG-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cncc(C(N)=O)c2)CCO1 ZINC001151318123 793205576 /nfs/dbraw/zinc/20/55/76/793205576.db2.gz KYSZIVOJRCXYRT-LLVKDONJSA-N 1 0 349.391 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cncc(C(N)=O)c2)CCO1 ZINC001151318124 793205470 /nfs/dbraw/zinc/20/54/70/793205470.db2.gz KYSZIVOJRCXYRT-NSHDSACASA-N 1 0 349.391 -1.253 20 0 EAADRO NC(=O)c1cncc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)c1 ZINC001151318159 793204863 /nfs/dbraw/zinc/20/48/63/793204863.db2.gz MEMYLIZIQOIJSQ-LLVKDONJSA-N 1 0 349.391 -1.347 20 0 EAADRO NC(=O)c1cncc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)c1 ZINC001151318160 793205358 /nfs/dbraw/zinc/20/53/58/793205358.db2.gz MEMYLIZIQOIJSQ-NSHDSACASA-N 1 0 349.391 -1.347 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cncc(C(N)=O)c1)S(C)(=O)=O ZINC001151318199 790323443 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NC(=O)c1cncc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001151318634 790323020 /nfs/dbraw/zinc/32/30/20/790323020.db2.gz WUKBICVZXWWVSB-UHFFFAOYSA-N 1 0 334.336 -1.948 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cncc(C(N)=O)c1 ZINC001151318821 790323867 /nfs/dbraw/zinc/32/38/67/790323867.db2.gz ZFFUWDMZZIDNRM-UHFFFAOYSA-N 1 0 329.382 -1.951 20 0 EAADRO Cc1nccc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)n1 ZINC001151325452 793205376 /nfs/dbraw/zinc/20/53/76/793205376.db2.gz WHBZFKNQTKLCLM-UHFFFAOYSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1nccc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001151330100 793205644 /nfs/dbraw/zinc/20/56/44/793205644.db2.gz AFKYOBVLABDIRV-LLVKDONJSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1nccc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001151330101 793206076 /nfs/dbraw/zinc/20/60/76/793206076.db2.gz AFKYOBVLABDIRV-NSHDSACASA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1nccc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC001151330463 793205741 /nfs/dbraw/zinc/20/57/41/793205741.db2.gz 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CN(CC[NH2+]CCNC(=O)CCN1CCCC1=O)S(C)(=O)=O ZINC001151354265 793205797 /nfs/dbraw/zinc/20/57/97/793205797.db2.gz KVYCBHFOXFXRFW-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151354280 793205987 /nfs/dbraw/zinc/20/59/87/793205987.db2.gz LIAYXXXEOKTHIS-UHFFFAOYSA-N 1 0 341.412 -1.060 20 0 EAADRO O=C(CCN1CCCC1=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001151354338 793205896 /nfs/dbraw/zinc/20/58/96/793205896.db2.gz MGYQLTXSTNTRRC-UHFFFAOYSA-N 1 0 340.424 -1.000 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151354710 790342066 /nfs/dbraw/zinc/34/20/66/790342066.db2.gz RLLVLHFFNSQDIW-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO O=C(CCN1CCCC1=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151354736 793205940 /nfs/dbraw/zinc/20/59/40/793205940.db2.gz SPGLFFOXWPCQHI-UHFFFAOYSA-N 1 0 326.397 -1.437 20 0 EAADRO Cc1nn2cccnc2c1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001151354967 793205908 /nfs/dbraw/zinc/20/59/08/793205908.db2.gz URJIUDQUSSVBRA-SECBINFHSA-N 1 0 333.352 -1.059 20 0 EAADRO Cc1nn2cccnc2c1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001151354968 793205865 /nfs/dbraw/zinc/20/58/65/793205865.db2.gz URJIUDQUSSVBRA-VIFPVBQESA-N 1 0 333.352 -1.059 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151355039 793205043 /nfs/dbraw/zinc/20/50/43/793205043.db2.gz XIPMOFPNJBANLM-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO O=C(CCN1CCCC1=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001151355043 793205447 /nfs/dbraw/zinc/20/54/47/793205447.db2.gz XPKKBUVFKKERMR-UHFFFAOYSA-N 1 0 339.396 -2.337 20 0 EAADRO COCCC1(NC(=O)CN2CC(=O)NC2=O)CC[NH+](CCO)CC1 ZINC001151357086 793205771 /nfs/dbraw/zinc/20/57/71/793205771.db2.gz QNEHCGFRUZLLGU-UHFFFAOYSA-N 1 0 342.396 -1.482 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001151365823 793205500 /nfs/dbraw/zinc/20/55/00/793205500.db2.gz CCRRNQAWTHCECX-LLVKDONJSA-N 1 0 341.412 -2.187 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001151365824 793204925 /nfs/dbraw/zinc/20/49/25/793204925.db2.gz CCRRNQAWTHCECX-NSHDSACASA-N 1 0 341.412 -2.187 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001151365884 793205219 /nfs/dbraw/zinc/20/52/19/793205219.db2.gz DXWKCJAOFOTNQZ-CHWSQXEVSA-N 1 0 333.429 -1.122 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001151365885 793205487 /nfs/dbraw/zinc/20/54/87/793205487.db2.gz DXWKCJAOFOTNQZ-OLZOCXBDSA-N 1 0 333.429 -1.122 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001151365886 793205534 /nfs/dbraw/zinc/20/55/34/793205534.db2.gz DXWKCJAOFOTNQZ-QWHCGFSZSA-N 1 0 333.429 -1.122 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001151365887 793205959 /nfs/dbraw/zinc/20/59/59/793205959.db2.gz DXWKCJAOFOTNQZ-STQMWFEESA-N 1 0 333.429 -1.122 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001151365999 793204898 /nfs/dbraw/zinc/20/48/98/793204898.db2.gz HAEOAZZZUIJBKH-LLVKDONJSA-N 1 0 336.458 -1.254 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001151366001 793205728 /nfs/dbraw/zinc/20/57/28/793205728.db2.gz HAEOAZZZUIJBKH-NSHDSACASA-N 1 0 336.458 -1.254 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151366407 793205975 /nfs/dbraw/zinc/20/59/75/793205975.db2.gz NBHDNMPHJZLWGD-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151366408 793205348 /nfs/dbraw/zinc/20/53/48/793205348.db2.gz NBHDNMPHJZLWGD-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001151366431 790350678 /nfs/dbraw/zinc/35/06/78/790350678.db2.gz NPORHAPDIYUVAV-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001151366432 793205323 /nfs/dbraw/zinc/20/53/23/793205323.db2.gz NPORHAPDIYUVAV-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001151366620 793205480 /nfs/dbraw/zinc/20/54/80/793205480.db2.gz PDCJTXRKMYNGEC-OLZOCXBDSA-N 1 0 342.440 -1.162 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001151366621 793205133 /nfs/dbraw/zinc/20/51/33/793205133.db2.gz PDCJTXRKMYNGEC-STQMWFEESA-N 1 0 342.440 -1.162 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001151367086 793204994 /nfs/dbraw/zinc/20/49/94/793204994.db2.gz XDHGHSFOUKHQTH-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001151367087 793205212 /nfs/dbraw/zinc/20/52/12/793205212.db2.gz XDHGHSFOUKHQTH-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)[C@@H](C)CC ZINC001151367188 793205935 /nfs/dbraw/zinc/20/59/35/793205935.db2.gz ZMEPVDNJFDCCHR-JTQLQIEISA-N 1 0 329.401 -1.300 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)[C@H](C)CC ZINC001151367189 793205121 /nfs/dbraw/zinc/20/51/21/793205121.db2.gz ZMEPVDNJFDCCHR-SNVBAGLBSA-N 1 0 329.401 -1.300 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1 ZINC001151372393 790349115 /nfs/dbraw/zinc/34/91/15/790349115.db2.gz AGJOTWDPDLFEBI-UHFFFAOYSA-N 1 0 329.426 -1.097 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001151372488 793206029 /nfs/dbraw/zinc/20/60/29/793206029.db2.gz BIZGZKNHMVRXET-UHFFFAOYSA-N 1 0 343.409 -2.047 20 0 EAADRO CCCN(CCC)C(=O)C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151372492 793205677 /nfs/dbraw/zinc/20/56/77/793205677.db2.gz BMVKFECHZLOTRN-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001151372676 793204879 /nfs/dbraw/zinc/20/48/79/793204879.db2.gz DVKWZRWDRCUUSJ-UHFFFAOYSA-N 1 0 328.394 -1.460 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001151372703 790349015 /nfs/dbraw/zinc/34/90/15/790349015.db2.gz FFJRNIMMVLOOLK-UHFFFAOYSA-N 1 0 333.370 -1.823 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001151372705 790349534 /nfs/dbraw/zinc/34/95/34/790349534.db2.gz FFNMTFSYJJJNFB-LLVKDONJSA-N 1 0 341.412 -1.204 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001151372706 793205857 /nfs/dbraw/zinc/20/58/57/793205857.db2.gz FFNMTFSYJJJNFB-NSHDSACASA-N 1 0 341.412 -1.204 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001151372792 793205226 /nfs/dbraw/zinc/20/52/26/793205226.db2.gz GOUQWJPYOBSQRS-UHFFFAOYSA-N 1 0 330.370 -2.330 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151372843 793205968 /nfs/dbraw/zinc/20/59/68/793205968.db2.gz HFMKHJQPOWJHAC-JTQLQIEISA-N 1 0 327.385 -1.594 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151372844 793206021 /nfs/dbraw/zinc/20/60/21/793206021.db2.gz HFMKHJQPOWJHAC-SNVBAGLBSA-N 1 0 327.385 -1.594 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC(C)CC1 ZINC001151372958 793205272 /nfs/dbraw/zinc/20/52/72/793205272.db2.gz HNOKBUBMNAYXAB-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001151373104 790350323 /nfs/dbraw/zinc/35/03/23/790350323.db2.gz JUFOSXFOHZBFPQ-UHFFFAOYSA-N 1 0 335.411 -1.663 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cnc(OC)nc1C ZINC001151373217 790349196 /nfs/dbraw/zinc/34/91/96/790349196.db2.gz KOXKRLDBMGVRRG-UHFFFAOYSA-N 1 0 331.398 -1.451 20 0 EAADRO CNC(=O)c1ccc(C[NH2+]CCNC(=O)CS(=O)(=O)NC)cc1 ZINC001151373226 793206053 /nfs/dbraw/zinc/20/60/53/793206053.db2.gz KSGPSFHNQNYISC-UHFFFAOYSA-N 1 0 342.421 -1.199 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001151373239 790350638 /nfs/dbraw/zinc/35/06/38/790350638.db2.gz KZKVJJHWJIUSSL-UHFFFAOYSA-N 1 0 336.414 -2.463 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001151373315 793205260 /nfs/dbraw/zinc/20/52/60/793205260.db2.gz NJMRKVAVBRFYRP-UHFFFAOYSA-N 1 0 340.409 -1.277 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001151373431 793205071 /nfs/dbraw/zinc/20/50/71/793205071.db2.gz OBBFWKWZFNGYJI-UHFFFAOYSA-N 1 0 332.382 -1.849 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373434 793205143 /nfs/dbraw/zinc/20/51/43/793205143.db2.gz OCJQMGLTVPRDRB-MRVPVSSYSA-N 1 0 337.402 -2.524 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373435 793205787 /nfs/dbraw/zinc/20/57/87/793205787.db2.gz OCJQMGLTVPRDRB-QMMMGPOBSA-N 1 0 337.402 -2.524 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCCCCC1 ZINC001151373442 793205690 /nfs/dbraw/zinc/20/56/90/793205690.db2.gz OECKDLGIHMFSAU-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1ccccc1 ZINC001151373456 793205421 /nfs/dbraw/zinc/20/54/21/793205421.db2.gz OTXOBQPABVNNQA-UHFFFAOYSA-N 1 0 328.394 -1.120 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC1CCCCC1 ZINC001151373473 790350849 /nfs/dbraw/zinc/35/08/49/790350849.db2.gz PFEZWVVIWZRYNI-UHFFFAOYSA-N 1 0 334.442 -1.310 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001151373495 790348675 /nfs/dbraw/zinc/34/86/75/790348675.db2.gz PORRPHGIMCUJJV-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001151373496 790349226 /nfs/dbraw/zinc/34/92/26/790349226.db2.gz PORRPHGIMCUJJV-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373657 790350819 /nfs/dbraw/zinc/35/08/19/790350819.db2.gz SHRHOXIZUBCPFW-UHFFFAOYSA-N 1 0 337.402 -2.523 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001151373703 790350192 /nfs/dbraw/zinc/35/01/92/790350192.db2.gz UIHCRBHIBVDHIK-UHFFFAOYSA-N 1 0 334.320 -2.080 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCc1ccccc1 ZINC001151373817 793206568 /nfs/dbraw/zinc/20/65/68/793206568.db2.gz YLFOXLORLMTVHX-UHFFFAOYSA-N 1 0 342.421 -1.442 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001151373829 790351685 /nfs/dbraw/zinc/35/16/85/790351685.db2.gz ZFQXLDDRQCHUNE-LLVKDONJSA-N 1 0 336.458 -1.206 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001151373830 790352354 /nfs/dbraw/zinc/35/23/54/790352354.db2.gz ZFQXLDDRQCHUNE-NSHDSACASA-N 1 0 336.458 -1.206 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001151379355 790351874 /nfs/dbraw/zinc/35/18/74/790351874.db2.gz AAGDTIHILPQYRK-UHFFFAOYSA-N 1 0 342.443 -2.723 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N(C(C)C)C(C)C ZINC001151379359 790351747 /nfs/dbraw/zinc/35/17/47/790351747.db2.gz AEXGFNCBANDPAX-UHFFFAOYSA-N 1 0 336.458 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1nc(C)cs1 ZINC001151379361 790351495 /nfs/dbraw/zinc/35/14/95/790351495.db2.gz AJZDJFLPAGDCKN-UHFFFAOYSA-N 1 0 349.438 -1.355 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001151379375 790351543 /nfs/dbraw/zinc/35/15/43/790351543.db2.gz AMPDLIKZFYOBOI-JTQLQIEISA-N 1 0 336.414 -2.463 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001151379376 790352379 /nfs/dbraw/zinc/35/23/79/790352379.db2.gz AMPDLIKZFYOBOI-SNVBAGLBSA-N 1 0 336.414 -2.463 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001151379400 790352786 /nfs/dbraw/zinc/35/27/86/790352786.db2.gz BREWFKBNHRJKOT-SECBINFHSA-N 1 0 327.428 -2.324 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001151379401 790352580 /nfs/dbraw/zinc/35/25/80/790352580.db2.gz BREWFKBNHRJKOT-VIFPVBQESA-N 1 0 327.428 -2.324 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001151379453 793206703 /nfs/dbraw/zinc/20/67/03/793206703.db2.gz FPBIICGGROIPLJ-GHMZBOCLSA-N 1 0 341.430 -2.346 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001151379454 793206835 /nfs/dbraw/zinc/20/68/35/793206835.db2.gz FPBIICGGROIPLJ-MNOVXSKESA-N 1 0 341.430 -2.346 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001151379455 793206807 /nfs/dbraw/zinc/20/68/07/793206807.db2.gz FPBIICGGROIPLJ-QWRGUYRKSA-N 1 0 341.430 -2.346 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001151379456 793206694 /nfs/dbraw/zinc/20/66/94/793206694.db2.gz FPBIICGGROIPLJ-WDEREUQCSA-N 1 0 341.430 -2.346 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001151379461 793206775 /nfs/dbraw/zinc/20/67/75/793206775.db2.gz FVFPPTLXVOIFGE-UHFFFAOYSA-N 1 0 346.453 -1.454 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001151379488 793206645 /nfs/dbraw/zinc/20/66/45/793206645.db2.gz HGAAJHADHNRWGE-JTQLQIEISA-N 1 0 341.455 -1.934 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001151379489 793206877 /nfs/dbraw/zinc/20/68/77/793206877.db2.gz HGAAJHADHNRWGE-SNVBAGLBSA-N 1 0 341.455 -1.934 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151379520 793206781 /nfs/dbraw/zinc/20/67/81/793206781.db2.gz IEHXSVLTAOTKBP-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1cc(C)on1 ZINC001151379571 793207216 /nfs/dbraw/zinc/20/72/16/793207216.db2.gz KIKTULPDGTWZNU-UHFFFAOYSA-N 1 0 333.370 -1.823 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001151379588 793206999 /nfs/dbraw/zinc/20/69/99/793206999.db2.gz LDSFFSPRDUREAP-JTQLQIEISA-N 1 0 327.403 -2.735 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001151379589 793206937 /nfs/dbraw/zinc/20/69/37/793206937.db2.gz LDSFFSPRDUREAP-SNVBAGLBSA-N 1 0 327.403 -2.735 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001151379592 793206607 /nfs/dbraw/zinc/20/66/07/793206607.db2.gz LFFDLDXUCBFNIP-UHFFFAOYSA-N 1 0 328.394 -1.460 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N(C)c1ccccc1 ZINC001151379670 793206753 /nfs/dbraw/zinc/20/67/53/793206753.db2.gz NMWWHHDODUFPCN-UHFFFAOYSA-N 1 0 342.421 -1.096 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001151379671 793207156 /nfs/dbraw/zinc/20/71/56/793207156.db2.gz NNCSJRUUKBVNQM-UHFFFAOYSA-N 1 0 330.432 -2.867 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001151379672 793207229 /nfs/dbraw/zinc/20/72/29/793207229.db2.gz NNDICTMTCMCBLD-UHFFFAOYSA-N 1 0 335.386 -2.770 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCCC(C)(C)C ZINC001151379673 793207110 /nfs/dbraw/zinc/20/71/10/793207110.db2.gz NNVNTVVUHGVLOY-UHFFFAOYSA-N 1 0 336.458 -1.206 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001151379674 793206631 /nfs/dbraw/zinc/20/66/31/793206631.db2.gz NOUWFWWWASPICT-LLVKDONJSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001151379675 790351293 /nfs/dbraw/zinc/35/12/93/790351293.db2.gz NOUWFWWWASPICT-NSHDSACASA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001151379686 790352150 /nfs/dbraw/zinc/35/21/50/790352150.db2.gz OHMIGEGAHTVXRC-UHFFFAOYSA-N 1 0 347.445 -1.774 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001151379687 790351799 /nfs/dbraw/zinc/35/17/99/790351799.db2.gz OHNQGTYGSKXVJE-UHFFFAOYSA-N 1 0 336.399 -2.268 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001151379690 790352033 /nfs/dbraw/zinc/35/20/33/790352033.db2.gz OKKAQSMWQZXYMS-UHFFFAOYSA-N 1 0 343.409 -1.185 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001151379719 790353121 /nfs/dbraw/zinc/35/31/21/790353121.db2.gz PUEYOKWTTWGCMQ-UHFFFAOYSA-N 1 0 335.386 -3.800 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001151379750 790354271 /nfs/dbraw/zinc/35/42/71/790354271.db2.gz RAKIMXYDXJQMFI-JTQLQIEISA-N 1 0 341.455 -1.934 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001151379751 790353287 /nfs/dbraw/zinc/35/32/87/790353287.db2.gz RAKIMXYDXJQMFI-SNVBAGLBSA-N 1 0 341.455 -1.934 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001151379764 790355474 /nfs/dbraw/zinc/35/54/74/790355474.db2.gz RRPDVUXTVZXLSN-UHFFFAOYSA-N 1 0 341.455 -1.934 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001151379765 790356000 /nfs/dbraw/zinc/35/60/00/790356000.db2.gz RTDQOBFSHMGVTR-CYBMUJFWSA-N 1 0 347.412 -1.016 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001151379766 790356042 /nfs/dbraw/zinc/35/60/42/790356042.db2.gz RTDQOBFSHMGVTR-ZDUSSCGKSA-N 1 0 347.412 -1.016 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001151379773 790356374 /nfs/dbraw/zinc/35/63/74/790356374.db2.gz RWIWGSNNQQMCQO-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001151379774 790356776 /nfs/dbraw/zinc/35/67/76/790356776.db2.gz RWIWGSNNQQMCQO-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001151379807 790355826 /nfs/dbraw/zinc/35/58/26/790355826.db2.gz TZAFFSXYOUCUQY-UHFFFAOYSA-N 1 0 341.455 -1.934 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001151379812 790356548 /nfs/dbraw/zinc/35/65/48/790356548.db2.gz UJPOUYDBMPMEEQ-UHFFFAOYSA-N 1 0 337.446 -1.661 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001151379825 793207243 /nfs/dbraw/zinc/20/72/43/793207243.db2.gz UTGGHBBRZSPIQY-JTQLQIEISA-N 1 0 336.414 -2.775 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151379826 793207290 /nfs/dbraw/zinc/20/72/90/793207290.db2.gz UUDAVGFZAMKRNW-CYBMUJFWSA-N 1 0 331.413 -1.271 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151379827 793207005 /nfs/dbraw/zinc/20/70/05/793207005.db2.gz UUDAVGFZAMKRNW-ZDUSSCGKSA-N 1 0 331.413 -1.271 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151379834 793207134 /nfs/dbraw/zinc/20/71/34/793207134.db2.gz UZBSWVOGKQXZLS-UHFFFAOYSA-N 1 0 344.459 -2.429 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001151379836 790356631 /nfs/dbraw/zinc/35/66/31/790356631.db2.gz UZTKOPBRBCHDKL-UHFFFAOYSA-N 1 0 348.347 -1.690 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001151379878 790351484 /nfs/dbraw/zinc/35/14/84/790351484.db2.gz WJTZJNDCUXVYDA-CYBMUJFWSA-N 1 0 329.422 -1.155 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001151379879 790350974 /nfs/dbraw/zinc/35/09/74/790350974.db2.gz WJTZJNDCUXVYDA-ZDUSSCGKSA-N 1 0 329.422 -1.155 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)Nc1nccs1 ZINC001151379881 790352300 /nfs/dbraw/zinc/35/23/00/790352300.db2.gz WMRMBGITUAOKPP-MRVPVSSYSA-N 1 0 349.438 -1.275 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)Nc1nccs1 ZINC001151379882 790352217 /nfs/dbraw/zinc/35/22/17/790352217.db2.gz WMRMBGITUAOKPP-QMMMGPOBSA-N 1 0 349.438 -1.275 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001151379923 790352242 /nfs/dbraw/zinc/35/22/42/790352242.db2.gz XWGLJZRWTAZBFL-SECBINFHSA-N 1 0 344.397 -1.941 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001151379925 790351337 /nfs/dbraw/zinc/35/13/37/790351337.db2.gz XWGLJZRWTAZBFL-VIFPVBQESA-N 1 0 344.397 -1.941 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001151379959 793207059 /nfs/dbraw/zinc/20/70/59/793207059.db2.gz ZMPMRDCTWBXCBN-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001151379961 793206881 /nfs/dbraw/zinc/20/68/81/793206881.db2.gz ZMPMRDCTWBXCBN-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc2nonc2c1 ZINC001151379982 793206796 /nfs/dbraw/zinc/20/67/96/793206796.db2.gz ZYMFLTIHMITEHK-UHFFFAOYSA-N 1 0 327.366 -1.022 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001151385544 790354100 /nfs/dbraw/zinc/35/41/00/790354100.db2.gz AAZDKLNGLHIWQZ-UHFFFAOYSA-N 1 0 337.402 -2.395 20 0 EAADRO CN1CC[C@H]([NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C)C1=O ZINC001151385584 790354036 /nfs/dbraw/zinc/35/40/36/790354036.db2.gz BVNAJZMNGPHKJP-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CN1CC[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C)C1=O ZINC001151385585 790353888 /nfs/dbraw/zinc/35/38/88/790353888.db2.gz BVNAJZMNGPHKJP-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151385586 790354001 /nfs/dbraw/zinc/35/40/01/790354001.db2.gz BVPRCOCKSGZNAZ-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151385587 790354318 /nfs/dbraw/zinc/35/43/18/790354318.db2.gz BVPRCOCKSGZNAZ-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151385757 793207222 /nfs/dbraw/zinc/20/72/22/793207222.db2.gz GJDAQNOJMQNMPZ-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001151385806 793207331 /nfs/dbraw/zinc/20/73/31/793207331.db2.gz ITXDUNBNEITVFF-UHFFFAOYSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001151385827 790358691 /nfs/dbraw/zinc/35/86/91/790358691.db2.gz KCFOAKOHXPBCFM-JTQLQIEISA-N 1 0 334.442 -1.311 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001151385828 790358453 /nfs/dbraw/zinc/35/84/53/790358453.db2.gz KCFOAKOHXPBCFM-SNVBAGLBSA-N 1 0 334.442 -1.311 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001151385831 790357360 /nfs/dbraw/zinc/35/73/60/790357360.db2.gz KJJBGOGOFKRUSQ-UHFFFAOYSA-N 1 0 332.430 -1.298 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001151386080 790356273 /nfs/dbraw/zinc/35/62/73/790356273.db2.gz LYHLOHFKFTWWLO-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001151386106 793207139 /nfs/dbraw/zinc/20/71/39/793207139.db2.gz NFCDMLWULFDOBC-UHFFFAOYSA-N 1 0 336.458 -1.065 20 0 EAADRO O=C(CCN1CCCC1=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001151386116 790356019 /nfs/dbraw/zinc/35/60/19/790356019.db2.gz NLAAFALXRYBOPV-CYBMUJFWSA-N 1 0 340.424 -1.143 20 0 EAADRO O=C(CCN1CCCC1=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001151386117 790355379 /nfs/dbraw/zinc/35/53/79/790355379.db2.gz NLAAFALXRYBOPV-ZDUSSCGKSA-N 1 0 340.424 -1.143 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151386161 793206838 /nfs/dbraw/zinc/20/68/38/793206838.db2.gz QAIDNNOMISIVEB-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)N(C)C ZINC001151386171 793206984 /nfs/dbraw/zinc/20/69/84/793206984.db2.gz QLHOWXDEZPIGPM-JTQLQIEISA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)N(C)C ZINC001151386172 793206955 /nfs/dbraw/zinc/20/69/55/793206955.db2.gz QLHOWXDEZPIGPM-SNVBAGLBSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001151386190 793206710 /nfs/dbraw/zinc/20/67/10/793206710.db2.gz RAHBBMGIRRFHCF-UHFFFAOYSA-N 1 0 343.471 -1.545 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001151386209 793207176 /nfs/dbraw/zinc/20/71/76/793207176.db2.gz SCFNBCMQSIJAMJ-UHFFFAOYSA-N 1 0 334.442 -1.311 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151386210 793207208 /nfs/dbraw/zinc/20/72/08/793207208.db2.gz SDTQNWQILKUGLH-SECBINFHSA-N 1 0 348.425 -1.785 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001151386211 793207021 /nfs/dbraw/zinc/20/70/21/793207021.db2.gz SDTQNWQILKUGLH-VIFPVBQESA-N 1 0 348.425 -1.785 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001151386234 790355685 /nfs/dbraw/zinc/35/56/85/790355685.db2.gz UBXHCQRKQUSSBO-UHFFFAOYSA-N 1 0 349.457 -1.565 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001151386349 793206824 /nfs/dbraw/zinc/20/68/24/793206824.db2.gz USLUFNIJJAJEJE-JTQLQIEISA-N 1 0 325.431 -1.583 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001151386350 793206873 /nfs/dbraw/zinc/20/68/73/793206873.db2.gz USLUFNIJJAJEJE-SNVBAGLBSA-N 1 0 325.431 -1.583 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CCOCCO ZINC001151386355 793207284 /nfs/dbraw/zinc/20/72/84/793207284.db2.gz VHNQRLUHVVFNCI-UHFFFAOYSA-N 1 0 325.431 -1.581 20 0 EAADRO O=C(CCN1CCCC1=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151386423 790355202 /nfs/dbraw/zinc/35/52/02/790355202.db2.gz XHAZZGCTGNLDCM-UHFFFAOYSA-N 1 0 325.369 -1.744 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCN2CCCC2=O)CCO1 ZINC001151386500 790355281 /nfs/dbraw/zinc/35/52/81/790355281.db2.gz YFFKADQABVJFFF-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCN2CCCC2=O)CCO1 ZINC001151386501 790356090 /nfs/dbraw/zinc/35/60/90/790356090.db2.gz YFFKADQABVJFFF-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO O=C(CCN1CCCC1=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001151386518 793207298 /nfs/dbraw/zinc/20/72/98/793207298.db2.gz YXLQETQPWKKMNB-UHFFFAOYSA-N 1 0 339.396 -1.353 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001151390260 790360299 /nfs/dbraw/zinc/36/02/99/790360299.db2.gz AKAGVXAVGJEUBO-UHFFFAOYSA-N 1 0 349.413 -2.428 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001151390261 790359502 /nfs/dbraw/zinc/35/95/02/790359502.db2.gz AKEHSSMTSIOCQD-UHFFFAOYSA-N 1 0 344.393 -1.414 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCC(C)C ZINC001151390270 790360168 /nfs/dbraw/zinc/36/01/68/790360168.db2.gz AUFIHRWSQHTDQT-LLVKDONJSA-N 1 0 336.458 -1.208 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC001151390271 790360555 /nfs/dbraw/zinc/36/05/55/790360555.db2.gz AUFIHRWSQHTDQT-NSHDSACASA-N 1 0 336.458 -1.208 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCCS(=O)(=O)C(C)C ZINC001151390272 790359963 /nfs/dbraw/zinc/35/99/63/790359963.db2.gz AVAMKRGWXLEMKJ-UHFFFAOYSA-N 1 0 343.471 -1.545 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC001151390273 793206818 /nfs/dbraw/zinc/20/68/18/793206818.db2.gz AXHVLUQLNBDCNE-UHFFFAOYSA-N 1 0 346.413 -1.780 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001151390274 793206552 /nfs/dbraw/zinc/20/65/52/793206552.db2.gz AXTPLXWJEHCDPQ-JTQLQIEISA-N 1 0 336.414 -2.511 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001151390275 793207032 /nfs/dbraw/zinc/20/70/32/793207032.db2.gz AXTPLXWJEHCDPQ-SNVBAGLBSA-N 1 0 336.414 -2.511 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001151390282 793207163 /nfs/dbraw/zinc/20/71/63/793207163.db2.gz BJCYQGAWYJQORZ-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001151390283 793206827 /nfs/dbraw/zinc/20/68/27/793206827.db2.gz BJCYQGAWYJQORZ-TXEJJXNPSA-N 1 0 348.469 -1.254 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001151390284 793206810 /nfs/dbraw/zinc/20/68/10/793206810.db2.gz BJCYQGAWYJQORZ-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001151390285 793207098 /nfs/dbraw/zinc/20/70/98/793207098.db2.gz BLPDUTPTYOSVST-UHFFFAOYSA-N 1 0 348.347 -1.738 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001151390313 790360240 /nfs/dbraw/zinc/36/02/40/790360240.db2.gz CWXBJCAAZNEOMY-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151390321 790359397 /nfs/dbraw/zinc/35/93/97/790359397.db2.gz CYRBPBYVZANHEV-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151390322 790359680 /nfs/dbraw/zinc/35/96/80/790359680.db2.gz CYRBPBYVZANHEV-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001151390357 790359930 /nfs/dbraw/zinc/35/99/30/790359930.db2.gz DOIWCCLXVXWGHJ-UHFFFAOYSA-N 1 0 335.386 -2.817 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC001151390402 793207341 /nfs/dbraw/zinc/20/73/41/793207341.db2.gz FHYZTYJHJPDEFU-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC001151390403 793207270 /nfs/dbraw/zinc/20/72/70/793207270.db2.gz FHYZTYJHJPDEFU-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCn1c(C)csc1=O ZINC001151390406 793207264 /nfs/dbraw/zinc/20/72/64/793207264.db2.gz FKEZYZFRYWOAAA-UHFFFAOYSA-N 1 0 336.439 -1.527 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N(C)c1nccs1 ZINC001151390412 793206686 /nfs/dbraw/zinc/20/66/86/793206686.db2.gz FOJPENFPERFUBV-UHFFFAOYSA-N 1 0 349.438 -1.639 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC1CCC(C)CC1 ZINC001151390415 793206726 /nfs/dbraw/zinc/20/67/26/793206726.db2.gz FPXIXOFKIQBIIT-UHFFFAOYSA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001151390456 790360918 /nfs/dbraw/zinc/36/09/18/790360918.db2.gz GLCXAICPBFLGLO-UHFFFAOYSA-N 1 0 346.413 -2.078 20 0 EAADRO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151390462 790359338 /nfs/dbraw/zinc/35/93/38/790359338.db2.gz GTBUBFNTDZXUBS-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151390463 790359891 /nfs/dbraw/zinc/35/98/91/790359891.db2.gz GTBUBFNTDZXUBS-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC001151390464 790360013 /nfs/dbraw/zinc/36/00/13/790360013.db2.gz GTTVLBAJFWWTDX-NEPJUHHUSA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC001151390465 793206888 /nfs/dbraw/zinc/20/68/88/793206888.db2.gz GTTVLBAJFWWTDX-NWDGAFQWSA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C ZINC001151390466 793206591 /nfs/dbraw/zinc/20/65/91/793206591.db2.gz GTTVLBAJFWWTDX-RYUDHWBXSA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C ZINC001151390467 793207085 /nfs/dbraw/zinc/20/70/85/793207085.db2.gz GTTVLBAJFWWTDX-VXGBXAGGSA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cc(=O)c(OC)co1 ZINC001151390498 793207247 /nfs/dbraw/zinc/20/72/47/793207247.db2.gz INBXIUSSVRMDJK-UHFFFAOYSA-N 1 0 333.366 -1.597 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]CCNC(=O)CS(=O)(=O)NC)c1 ZINC001151390504 793206903 /nfs/dbraw/zinc/20/69/03/793206903.db2.gz IXTMZMLMZWSKKZ-UHFFFAOYSA-N 1 0 342.421 -1.199 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001151390512 793206677 /nfs/dbraw/zinc/20/66/77/793206677.db2.gz JCEMFSFJCXIORG-JTQLQIEISA-N 1 0 338.430 -2.217 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001151390513 793206845 /nfs/dbraw/zinc/20/68/45/793206845.db2.gz JCEMFSFJCXIORG-SNVBAGLBSA-N 1 0 338.430 -2.217 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001151390514 793207236 /nfs/dbraw/zinc/20/72/36/793207236.db2.gz JCYWOKOFUDROFG-UHFFFAOYSA-N 1 0 349.453 -1.188 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)Nc1cc(C)no1 ZINC001151390540 793207184 /nfs/dbraw/zinc/20/71/84/793207184.db2.gz KENLGHJFGUNJGO-SECBINFHSA-N 1 0 347.397 -1.435 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)Nc1cc(C)no1 ZINC001151390541 793207104 /nfs/dbraw/zinc/20/71/04/793207104.db2.gz KENLGHJFGUNJGO-VIFPVBQESA-N 1 0 347.397 -1.435 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001151390654 793206581 /nfs/dbraw/zinc/20/65/81/793206581.db2.gz KXJAEJXNZCDIKV-LLVKDONJSA-N 1 0 349.409 -1.588 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001151390655 793207382 /nfs/dbraw/zinc/20/73/82/793207382.db2.gz KXJAEJXNZCDIKV-NSHDSACASA-N 1 0 349.409 -1.588 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001151390657 793206860 /nfs/dbraw/zinc/20/68/60/793206860.db2.gz KYUJMNGOYIQJJK-JTQLQIEISA-N 1 0 336.414 -2.606 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001151390658 793207126 /nfs/dbraw/zinc/20/71/26/793207126.db2.gz KYUJMNGOYIQJJK-SNVBAGLBSA-N 1 0 336.414 -2.606 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC1CCCCC1 ZINC001151390690 790359373 /nfs/dbraw/zinc/35/93/73/790359373.db2.gz MKKWKUDFUASKIV-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001151390696 790360817 /nfs/dbraw/zinc/36/08/17/790360817.db2.gz MSSGKGIMIDMQEH-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001151390697 790360110 /nfs/dbraw/zinc/36/01/10/790360110.db2.gz MSSGKGIMIDMQEH-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001151390710 793206762 /nfs/dbraw/zinc/20/67/62/793206762.db2.gz NCDZRVGXJCMGSG-LLVKDONJSA-N 1 0 325.431 -1.725 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001151390711 793206868 /nfs/dbraw/zinc/20/68/68/793206868.db2.gz NCDZRVGXJCMGSG-NSHDSACASA-N 1 0 325.431 -1.725 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001151390719 790360037 /nfs/dbraw/zinc/36/00/37/790360037.db2.gz NLBMVRURSWYFDY-UHFFFAOYSA-N 1 0 344.459 -2.477 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001151390723 790359946 /nfs/dbraw/zinc/35/99/46/790359946.db2.gz NVBPQJGJIGAXLY-GFCCVEGCSA-N 1 0 345.421 -1.319 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001151390724 793207094 /nfs/dbraw/zinc/20/70/94/793207094.db2.gz NVBPQJGJIGAXLY-LBPRGKRZSA-N 1 0 345.421 -1.319 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001151390727 793206945 /nfs/dbraw/zinc/20/69/45/793206945.db2.gz NWSNHAMLZLJJAF-JTQLQIEISA-N 1 0 334.442 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001151390728 793206767 /nfs/dbraw/zinc/20/67/67/793206767.db2.gz NWSNHAMLZLJJAF-SNVBAGLBSA-N 1 0 334.442 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCOC[C@H]1CCCCO1 ZINC001151390737 793207043 /nfs/dbraw/zinc/20/70/43/793207043.db2.gz OKHYMOKIOWAVJV-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1 ZINC001151390738 793206941 /nfs/dbraw/zinc/20/69/41/793206941.db2.gz OKHYMOKIOWAVJV-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001151390739 790358015 /nfs/dbraw/zinc/35/80/15/790358015.db2.gz OMGJZQSRJILMLW-UHFFFAOYSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151390756 790358661 /nfs/dbraw/zinc/35/86/61/790358661.db2.gz PEWHQYXMRTVLFJ-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001151390804 793207009 /nfs/dbraw/zinc/20/70/09/793207009.db2.gz QJYWWDZRMFJTEE-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCCOCC ZINC001151390831 790357715 /nfs/dbraw/zinc/35/77/15/790357715.db2.gz QWCVRGYMNVGJRZ-UHFFFAOYSA-N 1 0 337.442 -1.330 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151390888 790360707 /nfs/dbraw/zinc/36/07/07/790360707.db2.gz SHRKUZUJCQAJQW-UHFFFAOYSA-N 1 0 330.432 -2.819 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001151390954 790359917 /nfs/dbraw/zinc/35/99/17/790359917.db2.gz SQOCTFZGXGGRJZ-SECBINFHSA-N 1 0 329.444 -2.078 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001151390955 790360762 /nfs/dbraw/zinc/36/07/62/790360762.db2.gz SQOCTFZGXGGRJZ-VIFPVBQESA-N 1 0 329.444 -2.078 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001151390997 793206994 /nfs/dbraw/zinc/20/69/94/793206994.db2.gz UUEQXVMXTHIUKG-CYBMUJFWSA-N 1 0 345.421 -1.016 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC001151390998 793207195 /nfs/dbraw/zinc/20/71/95/793207195.db2.gz UUEQXVMXTHIUKG-ZDUSSCGKSA-N 1 0 345.421 -1.016 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCc1cccs1 ZINC001151391005 793206852 /nfs/dbraw/zinc/20/68/52/793206852.db2.gz UZSHNOXIAWXDNR-UHFFFAOYSA-N 1 0 348.450 -1.381 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N(CC(C)C)C1CC1 ZINC001151391017 790360641 /nfs/dbraw/zinc/36/06/41/790360641.db2.gz VJMLHJQHRZICHE-UHFFFAOYSA-N 1 0 348.469 -1.112 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001151391018 790360260 /nfs/dbraw/zinc/36/02/60/790360260.db2.gz VJNAKUZCYCQTAS-UHFFFAOYSA-N 1 0 332.430 -1.261 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001151391031 790360878 /nfs/dbraw/zinc/36/08/78/790360878.db2.gz WGBHGBIIKLHIDM-UHFFFAOYSA-N 1 0 346.409 -1.507 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC001151391034 790360670 /nfs/dbraw/zinc/36/06/70/790360670.db2.gz WHZIKYXBZVQPEU-JTQLQIEISA-N 1 0 346.409 -1.461 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC001151391035 793208934 /nfs/dbraw/zinc/20/89/34/793208934.db2.gz WHZIKYXBZVQPEU-SNVBAGLBSA-N 1 0 346.409 -1.461 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001151391041 793209000 /nfs/dbraw/zinc/20/90/00/793209000.db2.gz WLJMUPIEVYXDTG-SSDOTTSWSA-N 1 0 348.347 -1.692 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001151391042 793207865 /nfs/dbraw/zinc/20/78/65/793207865.db2.gz WLJMUPIEVYXDTG-ZETCQYMHSA-N 1 0 348.347 -1.692 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)c1ccco1 ZINC001151391097 790360851 /nfs/dbraw/zinc/36/08/51/790360851.db2.gz YTCMFZVYJJQVRR-JTQLQIEISA-N 1 0 346.409 -1.288 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)c1ccco1 ZINC001151391098 790360214 /nfs/dbraw/zinc/36/02/14/790360214.db2.gz YTCMFZVYJJQVRR-SNVBAGLBSA-N 1 0 346.409 -1.288 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001151391103 790360748 /nfs/dbraw/zinc/36/07/48/790360748.db2.gz ZECBBMPKZWPFAT-MRVPVSSYSA-N 1 0 349.413 -2.382 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001151391104 790361000 /nfs/dbraw/zinc/36/10/00/790361000.db2.gz ZECBBMPKZWPFAT-QMMMGPOBSA-N 1 0 349.413 -2.382 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001151391107 793208474 /nfs/dbraw/zinc/20/84/74/793208474.db2.gz ZHKNSRCQHGLACK-UHFFFAOYSA-N 1 0 332.430 -1.297 20 0 EAADRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001151391108 793208063 /nfs/dbraw/zinc/20/80/63/793208063.db2.gz ZLIRKPZSUOUVSN-UHFFFAOYSA-N 1 0 347.397 -3.161 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001151394392 793208421 /nfs/dbraw/zinc/20/84/21/793208421.db2.gz ADMYIAQRCHPQBZ-UHFFFAOYSA-N 1 0 349.453 -1.189 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001151394407 790359700 /nfs/dbraw/zinc/35/97/00/790359700.db2.gz AWLBWOISODFLPP-UHFFFAOYSA-N 1 0 331.336 -1.218 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001151394479 793208429 /nfs/dbraw/zinc/20/84/29/793208429.db2.gz 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EAADRO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)N1CCCC1=O ZINC001151540235 793209901 /nfs/dbraw/zinc/20/99/01/793209901.db2.gz KATJLVPDWCVLSY-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO CC(=O)NCc1cccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001151546049 793209475 /nfs/dbraw/zinc/20/94/75/793209475.db2.gz OGVJHOSIZQKWHY-UHFFFAOYSA-N 1 0 335.364 -1.163 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1ncc2n1CCCC2)N1CCNC(=O)C1 ZINC001151571110 793209705 /nfs/dbraw/zinc/20/97/05/793209705.db2.gz AVFHUUWVXYGTMA-UHFFFAOYSA-N 1 0 348.407 -1.503 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001151585259 793210186 /nfs/dbraw/zinc/21/01/86/793210186.db2.gz AHZVBGZXMRXLIB-CYBMUJFWSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001151585265 793209882 /nfs/dbraw/zinc/20/98/82/793209882.db2.gz AHZVBGZXMRXLIB-ZDUSSCGKSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001151585295 793210468 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CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001151585538 793210492 /nfs/dbraw/zinc/21/04/92/793210492.db2.gz DECZFUIHBHGPCQ-UONOGXRCSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001151585540 793210255 /nfs/dbraw/zinc/21/02/55/793210255.db2.gz DECZFUIHBHGPCQ-ZIAGYGMSSA-N 1 0 340.424 -1.144 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2COCCN2C(C)=O)nn1 ZINC001151585554 793209839 /nfs/dbraw/zinc/20/98/39/793209839.db2.gz DHUDMDMWPFXWCX-CYBMUJFWSA-N 1 0 337.380 -1.062 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C(C)=O)nn1 ZINC001151585557 793209610 /nfs/dbraw/zinc/20/96/10/793209610.db2.gz DHUDMDMWPFXWCX-ZDUSSCGKSA-N 1 0 337.380 -1.062 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151585586 793209505 /nfs/dbraw/zinc/20/95/05/793209505.db2.gz DOZYUXRSTXBEHA-CYBMUJFWSA-N 1 0 349.453 -1.236 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151585588 793210693 /nfs/dbraw/zinc/21/06/93/793210693.db2.gz DOZYUXRSTXBEHA-ZDUSSCGKSA-N 1 0 349.453 -1.236 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@H]2COCCN2C(C)=O)n1 ZINC001151585598 793210051 /nfs/dbraw/zinc/21/00/51/793210051.db2.gz DUFQZEVCSNRWIJ-CYBMUJFWSA-N 1 0 337.380 -1.062 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C(C)=O)n1 ZINC001151585599 793210344 /nfs/dbraw/zinc/21/03/44/793210344.db2.gz DUFQZEVCSNRWIJ-ZDUSSCGKSA-N 1 0 337.380 -1.062 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001151585605 793209803 /nfs/dbraw/zinc/20/98/03/793209803.db2.gz DVDMFYDQENPVGM-BXUZGUMPSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001151585610 793211735 /nfs/dbraw/zinc/21/17/35/793211735.db2.gz DVDMFYDQENPVGM-FZMZJTMJSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001151585611 793211669 /nfs/dbraw/zinc/21/16/69/793211669.db2.gz DVDMFYDQENPVGM-RISCZKNCSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001151585613 793212055 /nfs/dbraw/zinc/21/20/55/793212055.db2.gz DVDMFYDQENPVGM-SMDDNHRTSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001151585654 793211070 /nfs/dbraw/zinc/21/10/70/793211070.db2.gz FLUBYIQAPJGYLE-AWEZNQCLSA-N 1 0 338.412 -1.152 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001151585655 793211074 /nfs/dbraw/zinc/21/10/74/793211074.db2.gz FLUBYIQAPJGYLE-CQSZACIVSA-N 1 0 338.412 -1.152 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151585899 793211807 /nfs/dbraw/zinc/21/18/07/793211807.db2.gz GMFSGUURBDCECS-CYBMUJFWSA-N 1 0 342.396 -2.202 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151585900 793211607 /nfs/dbraw/zinc/21/16/07/793211607.db2.gz GMFSGUURBDCECS-ZDUSSCGKSA-N 1 0 342.396 -2.202 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001151585906 793212040 /nfs/dbraw/zinc/21/20/40/793212040.db2.gz GODNEYUGVRDYDX-CHWSQXEVSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001151585907 793211037 /nfs/dbraw/zinc/21/10/37/793211037.db2.gz GODNEYUGVRDYDX-OLZOCXBDSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001151585908 793211115 /nfs/dbraw/zinc/21/11/15/793211115.db2.gz GODNEYUGVRDYDX-QWHCGFSZSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001151585909 793211098 /nfs/dbraw/zinc/21/10/98/793211098.db2.gz GODNEYUGVRDYDX-STQMWFEESA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001151585930 793211744 /nfs/dbraw/zinc/21/17/44/793211744.db2.gz HAFFFVFRLMDHEH-CYBMUJFWSA-N 1 0 328.413 -1.288 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001151585931 793211905 /nfs/dbraw/zinc/21/19/05/793211905.db2.gz HAFFFVFRLMDHEH-ZDUSSCGKSA-N 1 0 328.413 -1.288 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151585932 793211896 /nfs/dbraw/zinc/21/18/96/793211896.db2.gz HCBVJBMZTAQTSG-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151585933 793211326 /nfs/dbraw/zinc/21/13/26/793211326.db2.gz HCBVJBMZTAQTSG-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151585934 793211570 /nfs/dbraw/zinc/21/15/70/793211570.db2.gz HCBVJBMZTAQTSG-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151585935 793211980 /nfs/dbraw/zinc/21/19/80/793211980.db2.gz HCBVJBMZTAQTSG-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001151585952 793211956 /nfs/dbraw/zinc/21/19/56/793211956.db2.gz HRUSPAOSMPQXEW-CYBMUJFWSA-N 1 0 326.397 -1.534 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001151585953 793212109 /nfs/dbraw/zinc/21/21/09/793212109.db2.gz HRUSPAOSMPQXEW-ZDUSSCGKSA-N 1 0 326.397 -1.534 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001151586309 793211688 /nfs/dbraw/zinc/21/16/88/793211688.db2.gz ISNFMEUVFXBNAJ-LLVKDONJSA-N 1 0 339.352 -1.434 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001151586310 793212067 /nfs/dbraw/zinc/21/20/67/793212067.db2.gz ISNFMEUVFXBNAJ-NSHDSACASA-N 1 0 339.352 -1.434 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151586321 793211872 /nfs/dbraw/zinc/21/18/72/793211872.db2.gz IZSSQUKIFKAZRV-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151586322 793211201 /nfs/dbraw/zinc/21/12/01/793211201.db2.gz IZSSQUKIFKAZRV-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001151586328 793211253 /nfs/dbraw/zinc/21/12/53/793211253.db2.gz JDJFKKKTUVPCRE-LLVKDONJSA-N 1 0 336.414 -2.511 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001151586329 793211639 /nfs/dbraw/zinc/21/16/39/793211639.db2.gz JDJFKKKTUVPCRE-NSHDSACASA-N 1 0 336.414 -2.511 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2COCCN2C(C)=O)C1=O ZINC001151586696 793212086 /nfs/dbraw/zinc/21/20/86/793212086.db2.gz KGIDNEMBTNRLRC-CHWSQXEVSA-N 1 0 326.397 -1.440 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2COCCN2C(C)=O)C1=O ZINC001151586698 793211966 /nfs/dbraw/zinc/21/19/66/793211966.db2.gz KGIDNEMBTNRLRC-OLZOCXBDSA-N 1 0 326.397 -1.440 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2COCCN2C(C)=O)C1=O ZINC001151586700 793211358 /nfs/dbraw/zinc/21/13/58/793211358.db2.gz KGIDNEMBTNRLRC-QWHCGFSZSA-N 1 0 326.397 -1.440 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2COCCN2C(C)=O)C1=O ZINC001151586701 793212148 /nfs/dbraw/zinc/21/21/48/793212148.db2.gz KGIDNEMBTNRLRC-STQMWFEESA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151586735 790452440 /nfs/dbraw/zinc/45/24/40/790452440.db2.gz KYENWTYLSLBGFQ-LLVKDONJSA-N 1 0 341.368 -2.509 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151586736 790454559 /nfs/dbraw/zinc/45/45/59/790454559.db2.gz KYENWTYLSLBGFQ-NSHDSACASA-N 1 0 341.368 -2.509 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151586737 790454662 /nfs/dbraw/zinc/45/46/62/790454662.db2.gz KZVCPGDFMDZZFB-CYBMUJFWSA-N 1 0 344.412 -1.908 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151586738 790454688 /nfs/dbraw/zinc/45/46/88/790454688.db2.gz KZVCPGDFMDZZFB-ZDUSSCGKSA-N 1 0 344.412 -1.908 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001151586760 790453559 /nfs/dbraw/zinc/45/35/59/790453559.db2.gz LQSUKNNBTDOWKH-CHWSQXEVSA-N 1 0 336.396 -1.282 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001151586761 790455127 /nfs/dbraw/zinc/45/51/27/790455127.db2.gz LQSUKNNBTDOWKH-OLZOCXBDSA-N 1 0 336.396 -1.282 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001151586762 790455319 /nfs/dbraw/zinc/45/53/19/790455319.db2.gz LQSUKNNBTDOWKH-QWHCGFSZSA-N 1 0 336.396 -1.282 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001151586763 790455272 /nfs/dbraw/zinc/45/52/72/790455272.db2.gz LQSUKNNBTDOWKH-STQMWFEESA-N 1 0 336.396 -1.282 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151586764 790454548 /nfs/dbraw/zinc/45/45/48/790454548.db2.gz LRTIQKHDOYDWIT-JTQLQIEISA-N 1 0 329.357 -2.605 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151586765 790455258 /nfs/dbraw/zinc/45/52/58/790455258.db2.gz LRTIQKHDOYDWIT-SNVBAGLBSA-N 1 0 329.357 -2.605 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001151586772 793211148 /nfs/dbraw/zinc/21/11/48/793211148.db2.gz MGGLXJXPHNUKTK-CYBMUJFWSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001151586773 793212101 /nfs/dbraw/zinc/21/21/01/793212101.db2.gz MGGLXJXPHNUKTK-ZDUSSCGKSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001151586799 793211945 /nfs/dbraw/zinc/21/19/45/793211945.db2.gz NJDQVUJMOBXSJA-GFCCVEGCSA-N 1 0 335.426 -1.626 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001151586800 793211663 /nfs/dbraw/zinc/21/16/63/793211663.db2.gz NJDQVUJMOBXSJA-LBPRGKRZSA-N 1 0 335.426 -1.626 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O)C(N)=O ZINC001151586814 793211679 /nfs/dbraw/zinc/21/16/79/793211679.db2.gz NUWOTMLIXUDXSY-CHWSQXEVSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O)C(N)=O ZINC001151586815 793211029 /nfs/dbraw/zinc/21/10/29/793211029.db2.gz NUWOTMLIXUDXSY-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O)C(N)=O ZINC001151586816 793212159 /nfs/dbraw/zinc/21/21/59/793212159.db2.gz NUWOTMLIXUDXSY-QWHCGFSZSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O)C(N)=O ZINC001151586817 793211018 /nfs/dbraw/zinc/21/10/18/793211018.db2.gz NUWOTMLIXUDXSY-STQMWFEESA-N 1 0 328.413 -1.016 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151587068 793211514 /nfs/dbraw/zinc/21/15/14/793211514.db2.gz PKVYVHXVMAJUID-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151587069 793211479 /nfs/dbraw/zinc/21/14/79/793211479.db2.gz PKVYVHXVMAJUID-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001151587072 793211865 /nfs/dbraw/zinc/21/18/65/793211865.db2.gz PLVKFDYVSCQGOC-KBPBESRZSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001151587073 793211401 /nfs/dbraw/zinc/21/14/01/793211401.db2.gz PLVKFDYVSCQGOC-KGLIPLIRSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001151587074 793211848 /nfs/dbraw/zinc/21/18/48/793211848.db2.gz PLVKFDYVSCQGOC-UONOGXRCSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001151587075 793211917 /nfs/dbraw/zinc/21/19/17/793211917.db2.gz PLVKFDYVSCQGOC-ZIAGYGMSSA-N 1 0 340.424 -1.051 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)[C@H]2COCCN2C(C)=O)n1 ZINC001151587106 793211884 /nfs/dbraw/zinc/21/18/84/793211884.db2.gz QCMWTYAQZPOURV-CYBMUJFWSA-N 1 0 337.380 -1.062 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C(C)=O)n1 ZINC001151587107 793211773 /nfs/dbraw/zinc/21/17/73/793211773.db2.gz QCMWTYAQZPOURV-ZDUSSCGKSA-N 1 0 337.380 -1.062 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001151587134 790455294 /nfs/dbraw/zinc/45/52/94/790455294.db2.gz QRPFDOMSEIOOQY-CYBMUJFWSA-N 1 0 343.428 -1.353 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001151587135 790453686 /nfs/dbraw/zinc/45/36/86/790453686.db2.gz QRPFDOMSEIOOQY-ZDUSSCGKSA-N 1 0 343.428 -1.353 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151587144 790455299 /nfs/dbraw/zinc/45/52/99/790455299.db2.gz QXNDGLOCOFFITE-LLVKDONJSA-N 1 0 343.384 -2.215 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151587145 790454499 /nfs/dbraw/zinc/45/44/99/790454499.db2.gz QXNDGLOCOFFITE-NSHDSACASA-N 1 0 343.384 -2.215 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001151587407 793211161 /nfs/dbraw/zinc/21/11/61/793211161.db2.gz TTXMOVGODAABAT-AAEUAGOBSA-N 1 0 349.453 -1.380 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001151587408 793211049 /nfs/dbraw/zinc/21/10/49/793211049.db2.gz TTXMOVGODAABAT-DGCLKSJQSA-N 1 0 349.453 -1.380 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001151587409 793211345 /nfs/dbraw/zinc/21/13/45/793211345.db2.gz TTXMOVGODAABAT-WCQYABFASA-N 1 0 349.453 -1.380 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001151587410 793211220 /nfs/dbraw/zinc/21/12/20/793211220.db2.gz TTXMOVGODAABAT-YPMHNXCESA-N 1 0 349.453 -1.380 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151587457 793212122 /nfs/dbraw/zinc/21/21/22/793212122.db2.gz UNPJQPVZRMAGFJ-AWEZNQCLSA-N 1 0 344.412 -1.908 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151587459 793211270 /nfs/dbraw/zinc/21/12/70/793211270.db2.gz UNPJQPVZRMAGFJ-CQSZACIVSA-N 1 0 344.412 -1.908 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001151587769 793211055 /nfs/dbraw/zinc/21/10/55/793211055.db2.gz VSLRZEJMEPUREB-CYBMUJFWSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001151587772 793211839 /nfs/dbraw/zinc/21/18/39/793211839.db2.gz VSLRZEJMEPUREB-ZDUSSCGKSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151587827 793212129 /nfs/dbraw/zinc/21/21/29/793212129.db2.gz WCFBRHRKXIEEMK-GHMZBOCLSA-N 1 0 326.353 -2.255 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151587829 793211752 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CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001151588190 790454574 /nfs/dbraw/zinc/45/45/74/790454574.db2.gz XVNDUXWMUVZRES-LBPRGKRZSA-N 1 0 327.385 -2.035 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001151588201 790455085 /nfs/dbraw/zinc/45/50/85/790455085.db2.gz YBFDAHIUPLLQAH-CHWSQXEVSA-N 1 0 347.437 -1.626 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001151588202 790454157 /nfs/dbraw/zinc/45/41/57/790454157.db2.gz YBFDAHIUPLLQAH-OLZOCXBDSA-N 1 0 347.437 -1.626 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001151588203 793211794 /nfs/dbraw/zinc/21/17/94/793211794.db2.gz YBFDAHIUPLLQAH-QWHCGFSZSA-N 1 0 347.437 -1.626 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001151588204 793211723 /nfs/dbraw/zinc/21/17/23/793211723.db2.gz YBFDAHIUPLLQAH-STQMWFEESA-N 1 0 347.437 -1.626 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001151588215 793211461 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COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151588305 793211262 /nfs/dbraw/zinc/21/12/62/793211262.db2.gz ZJIGQEBQGQTVMX-CYBMUJFWSA-N 1 0 344.412 -1.908 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151588461 793211124 /nfs/dbraw/zinc/21/11/24/793211124.db2.gz ZJIGQEBQGQTVMX-ZDUSSCGKSA-N 1 0 344.412 -1.908 20 0 EAADRO CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151591100 793211783 /nfs/dbraw/zinc/21/17/83/793211783.db2.gz AEWQRKIBAMHHQL-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151591184 793212006 /nfs/dbraw/zinc/21/20/06/793212006.db2.gz FGCJCRYASQIBIG-LLVKDONJSA-N 1 0 336.458 -1.160 20 0 EAADRO CC[N@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)CNC(C)=O ZINC001151591305 790454701 /nfs/dbraw/zinc/45/47/01/790454701.db2.gz LDKDBWAGJZUGQQ-OCCSQVGLSA-N 1 0 333.429 -1.027 20 0 EAADRO CC[N@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)CNC(C)=O ZINC001151591306 790453662 /nfs/dbraw/zinc/45/36/62/790453662.db2.gz LDKDBWAGJZUGQQ-TZMCWYRMSA-N 1 0 333.429 -1.027 20 0 EAADRO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151591330 793211706 /nfs/dbraw/zinc/21/17/06/793211706.db2.gz NLELOFAQTBJWSH-OCCSQVGLSA-N 1 0 342.440 -1.068 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151593117 793211075 /nfs/dbraw/zinc/21/10/75/793211075.db2.gz BPDKVCPDZMJQGF-GXSJLCMTSA-N 1 0 343.384 -2.216 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151593118 793211992 /nfs/dbraw/zinc/21/19/92/793211992.db2.gz BPDKVCPDZMJQGF-KOLCDFICSA-N 1 0 343.384 -2.216 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151593119 793211816 /nfs/dbraw/zinc/21/18/16/793211816.db2.gz BPDKVCPDZMJQGF-MWLCHTKSSA-N 1 0 343.384 -2.216 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151593120 793211625 /nfs/dbraw/zinc/21/16/25/793211625.db2.gz BPDKVCPDZMJQGF-ONGXEEELSA-N 1 0 343.384 -2.216 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001151593123 793212024 /nfs/dbraw/zinc/21/20/24/793212024.db2.gz BRKPGCYWQILIQM-CABCVRRESA-N 1 0 345.440 -1.027 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001151593124 793211768 /nfs/dbraw/zinc/21/17/68/793211768.db2.gz BRKPGCYWQILIQM-GJZGRUSLSA-N 1 0 345.440 -1.027 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001151593125 793211092 /nfs/dbraw/zinc/21/10/92/793211092.db2.gz BRKPGCYWQILIQM-HUUCEWRRSA-N 1 0 345.440 -1.027 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001151593126 793212080 /nfs/dbraw/zinc/21/20/80/793212080.db2.gz BRKPGCYWQILIQM-LSDHHAIUSA-N 1 0 345.440 -1.027 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151593608 793211229 /nfs/dbraw/zinc/21/12/29/793211229.db2.gz KLGUIUCPNRBNKG-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151593609 793211438 /nfs/dbraw/zinc/21/14/38/793211438.db2.gz KLGUIUCPNRBNKG-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151593610 793211924 /nfs/dbraw/zinc/21/19/24/793211924.db2.gz KLGUIUCPNRBNKG-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151593611 793211183 /nfs/dbraw/zinc/21/11/83/793211183.db2.gz KLGUIUCPNRBNKG-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001151593628 793211172 /nfs/dbraw/zinc/21/11/72/793211172.db2.gz LALOCJUFVWMBGN-GFCCVEGCSA-N 1 0 340.380 -1.912 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001151593629 793211764 /nfs/dbraw/zinc/21/17/64/793211764.db2.gz LALOCJUFVWMBGN-LBPRGKRZSA-N 1 0 340.380 -1.912 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001151593824 790455981 /nfs/dbraw/zinc/45/59/81/790455981.db2.gz PFZKPELVWDFTAU-GWCFXTLKSA-N 1 0 326.397 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001151593825 790457030 /nfs/dbraw/zinc/45/70/30/790457030.db2.gz PFZKPELVWDFTAU-GXFFZTMASA-N 1 0 326.397 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001151593826 793213754 /nfs/dbraw/zinc/21/37/54/793213754.db2.gz PFZKPELVWDFTAU-MFKMUULPSA-N 1 0 326.397 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001151593827 793212967 /nfs/dbraw/zinc/21/29/67/793212967.db2.gz PFZKPELVWDFTAU-ZWNOBZJWSA-N 1 0 326.397 -1.393 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001151593882 793213714 /nfs/dbraw/zinc/21/37/14/793213714.db2.gz ROBDVNXAOLWCFG-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001151593883 793212595 /nfs/dbraw/zinc/21/25/95/793212595.db2.gz ROBDVNXAOLWCFG-CQSZACIVSA-N 1 0 340.424 -1.048 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O)C1CC1 ZINC001151594014 793213452 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CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001151594021 793212629 /nfs/dbraw/zinc/21/26/29/793212629.db2.gz UAWRLZFQGBTFKX-PSASIEDQSA-N 1 0 329.357 -2.477 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001151594022 793213476 /nfs/dbraw/zinc/21/34/76/793213476.db2.gz UAWRLZFQGBTFKX-SCZZXKLOSA-N 1 0 329.357 -2.477 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001151594023 793212826 /nfs/dbraw/zinc/21/28/26/793212826.db2.gz UAWRLZFQGBTFKX-WCBMZHEXSA-N 1 0 329.357 -2.477 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001151594024 793212871 /nfs/dbraw/zinc/21/28/71/793212871.db2.gz UAWRLZFQGBTFKX-WPRPVWTQSA-N 1 0 329.357 -2.477 20 0 EAADRO CC[N@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151597846 793213347 /nfs/dbraw/zinc/21/33/47/793213347.db2.gz SLJZLXZKKDLPMU-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151597904 793213420 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CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001151621062 793213465 /nfs/dbraw/zinc/21/34/65/793213465.db2.gz IOXIJNXWHOKXGZ-CQSZACIVSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001151622524 793213504 /nfs/dbraw/zinc/21/35/04/793213504.db2.gz TXKDHSNNYSSPCD-AWEZNQCLSA-N 1 0 336.392 -1.162 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001151622526 793213134 /nfs/dbraw/zinc/21/31/34/793213134.db2.gz TXKDHSNNYSSPCD-CQSZACIVSA-N 1 0 336.392 -1.162 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(C(=O)NC)c1 ZINC001151623139 793212860 /nfs/dbraw/zinc/21/28/60/793212860.db2.gz ZLOBKDSHCIKUOJ-UHFFFAOYSA-N 1 0 335.364 -1.179 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)c1 ZINC001151633284 793213695 /nfs/dbraw/zinc/21/36/95/793213695.db2.gz NLMJJRYFANIKFJ-UHFFFAOYSA-N 1 0 342.421 -1.085 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001151633358 793213725 /nfs/dbraw/zinc/21/37/25/793213725.db2.gz PWIOEEIZWCPCMF-UHFFFAOYSA-N 1 0 347.375 -1.083 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c1 ZINC001151633525 793212938 /nfs/dbraw/zinc/21/29/38/793212938.db2.gz VHLFDSOIWYLKNR-SECBINFHSA-N 1 0 335.364 -1.051 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c1 ZINC001151633526 793213202 /nfs/dbraw/zinc/21/32/02/793213202.db2.gz VHLFDSOIWYLKNR-VIFPVBQESA-N 1 0 335.364 -1.051 20 0 EAADRO C[C@H](NC(=O)c1ccco1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001151659672 793213779 /nfs/dbraw/zinc/21/37/79/793213779.db2.gz JBFYSLRHFNOUFZ-QMMMGPOBSA-N 1 0 325.325 -1.701 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001151660159 793213514 /nfs/dbraw/zinc/21/35/14/793213514.db2.gz MSNYCQVUDKWCQV-VIFPVBQESA-N 1 0 339.352 -1.441 20 0 EAADRO C[C@H](NC(=O)c1ccco1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001151660160 793213335 /nfs/dbraw/zinc/21/33/35/793213335.db2.gz MSZWRTCLFJQYAD-UWVGGRQHSA-N 1 0 336.348 -1.091 20 0 EAADRO C[C@H](NC(=O)c1ccco1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151660161 793213004 /nfs/dbraw/zinc/21/30/04/793213004.db2.gz MSZWRTCLFJQYAD-VHSXEESVSA-N 1 0 336.348 -1.091 20 0 EAADRO C[C@H](NC(=O)c1ccco1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001151662671 793213017 /nfs/dbraw/zinc/21/30/17/793213017.db2.gz AHDHBQRBGRJNPV-JTQLQIEISA-N 1 0 346.409 -1.347 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)NC(N)=O ZINC001151666658 793212732 /nfs/dbraw/zinc/21/27/32/793212732.db2.gz YUKUIGYTNLFXCF-BDAKNGLRSA-N 1 0 339.352 -1.313 20 0 EAADRO C[C@H](NC(=O)c1ccco1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001151666661 793213042 /nfs/dbraw/zinc/21/30/42/793213042.db2.gz YUKUIGYTNLFXCF-IUCAKERBSA-N 1 0 339.352 -1.313 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001151672949 793212959 /nfs/dbraw/zinc/21/29/59/793212959.db2.gz IWWNUXLJVVTTHQ-JTQLQIEISA-N 1 0 348.425 -1.495 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001151672950 793213646 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O=C(C[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O)Nc1cnccn1 ZINC001151673258 793213117 /nfs/dbraw/zinc/21/31/17/793213117.db2.gz KFEZNPNCNMZJLO-SNVBAGLBSA-N 1 0 341.393 -1.302 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1CCCS1(=O)=O ZINC001151673321 793212474 /nfs/dbraw/zinc/21/24/74/793212474.db2.gz MIELQPKKGYTFHJ-NWDGAFQWSA-N 1 0 347.437 -1.747 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1CCCS1(=O)=O ZINC001151673322 793212702 /nfs/dbraw/zinc/21/27/02/793212702.db2.gz MIELQPKKGYTFHJ-RYUDHWBXSA-N 1 0 347.437 -1.747 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001151673327 793213397 /nfs/dbraw/zinc/21/33/97/793213397.db2.gz MRHKFENKTNVIRP-LLVKDONJSA-N 1 0 335.426 -1.578 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001151673328 793213033 /nfs/dbraw/zinc/21/30/33/793213033.db2.gz MRHKFENKTNVIRP-NSHDSACASA-N 1 0 335.426 -1.578 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001151673810 790491589 /nfs/dbraw/zinc/49/15/89/790491589.db2.gz QVQLSOUJPHKPRP-SECBINFHSA-N 1 0 334.398 -1.885 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001151673814 790491691 /nfs/dbraw/zinc/49/16/91/790491691.db2.gz QVQLSOUJPHKPRP-VIFPVBQESA-N 1 0 334.398 -1.885 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@H]1CCCS1(=O)=O ZINC001151673843 790491075 /nfs/dbraw/zinc/49/10/75/790491075.db2.gz RLVMDAHCTQVAHF-GHMZBOCLSA-N 1 0 338.451 -1.296 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCS1(=O)=O ZINC001151673844 790491341 /nfs/dbraw/zinc/49/13/41/790491341.db2.gz RLVMDAHCTQVAHF-MNOVXSKESA-N 1 0 338.451 -1.296 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCS1(=O)=O ZINC001151673845 790491710 /nfs/dbraw/zinc/49/17/10/790491710.db2.gz RLVMDAHCTQVAHF-QWRGUYRKSA-N 1 0 338.451 -1.296 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCS1(=O)=O ZINC001151673846 790491152 /nfs/dbraw/zinc/49/11/52/790491152.db2.gz RLVMDAHCTQVAHF-WDEREUQCSA-N 1 0 338.451 -1.296 20 0 EAADRO 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/nfs/dbraw/zinc/21/28/47/793212847.db2.gz SKXGWNKNCPESRY-IUCAKERBSA-N 1 0 334.398 -1.887 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001151685940 793213056 /nfs/dbraw/zinc/21/30/56/793213056.db2.gz SKXGWNKNCPESRY-RKDXNWHRSA-N 1 0 334.398 -1.887 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O)NC[C@H]1CCOC1 ZINC001151685997 793213103 /nfs/dbraw/zinc/21/31/03/793213103.db2.gz UORLXQMWQIWHBW-NEPJUHHUSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O)NC[C@@H]1CCOC1 ZINC001151685998 793212787 /nfs/dbraw/zinc/21/27/87/793212787.db2.gz UORLXQMWQIWHBW-NWDGAFQWSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O)NC[C@@H]1CCOC1 ZINC001151685999 793213615 /nfs/dbraw/zinc/21/36/15/793213615.db2.gz UORLXQMWQIWHBW-RYUDHWBXSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O)NC[C@H]1CCOC1 ZINC001151686000 793213217 /nfs/dbraw/zinc/21/32/17/793213217.db2.gz UORLXQMWQIWHBW-VXGBXAGGSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1CCCS1(=O)=O ZINC001151686065 793212933 /nfs/dbraw/zinc/21/29/33/793212933.db2.gz WGFNVHGXHYTHMJ-NEPJUHHUSA-N 1 0 330.410 -1.473 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@H]1CCCS1(=O)=O ZINC001151686066 793215815 /nfs/dbraw/zinc/21/58/15/793215815.db2.gz WGFNVHGXHYTHMJ-NWDGAFQWSA-N 1 0 330.410 -1.473 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1CCCS1(=O)=O ZINC001151686067 793214457 /nfs/dbraw/zinc/21/44/57/793214457.db2.gz WGFNVHGXHYTHMJ-RYUDHWBXSA-N 1 0 330.410 -1.473 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@H]1CCCS1(=O)=O ZINC001151686068 793215912 /nfs/dbraw/zinc/21/59/12/793215912.db2.gz WGFNVHGXHYTHMJ-VXGBXAGGSA-N 1 0 330.410 -1.473 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCCS1(=O)=O ZINC001151686173 790518392 /nfs/dbraw/zinc/51/83/92/790518392.db2.gz WOLWSHREFQBUAA-JTQLQIEISA-N 1 0 331.394 -1.582 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCS1(=O)=O ZINC001151686174 790518723 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EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001151686277 793214776 /nfs/dbraw/zinc/21/47/76/793214776.db2.gz XZODSOILYVKVDY-UWVGGRQHSA-N 1 0 348.425 -1.496 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001151686281 793214552 /nfs/dbraw/zinc/21/45/52/793214552.db2.gz XZODSOILYVKVDY-VHSXEESVSA-N 1 0 348.425 -1.496 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001151686285 793215310 /nfs/dbraw/zinc/21/53/10/793215310.db2.gz XZODSOILYVKVDY-ZJUUUORDSA-N 1 0 348.425 -1.496 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCS1(=O)=O ZINC001151686308 793214395 /nfs/dbraw/zinc/21/43/95/793214395.db2.gz YBMHHJYMAKGEKT-JTQLQIEISA-N 1 0 346.409 -1.789 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCS1(=O)=O ZINC001151686334 793215354 /nfs/dbraw/zinc/21/53/54/793215354.db2.gz YBMHHJYMAKGEKT-SNVBAGLBSA-N 1 0 346.409 -1.789 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1noc2c1COCC2 ZINC001151693320 793214366 /nfs/dbraw/zinc/21/43/66/793214366.db2.gz IPECKOXRYQJHJZ-UHFFFAOYSA-N 1 0 325.325 -1.478 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1noc2c1COCC2)S(C)(=O)=O ZINC001151693480 793214591 /nfs/dbraw/zinc/21/45/91/793214591.db2.gz KXTCTMIUHNPAMH-UHFFFAOYSA-N 1 0 346.409 -1.042 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1noc2c1COCC2 ZINC001151693832 793215433 /nfs/dbraw/zinc/21/54/33/793215433.db2.gz UEHMIUOTUPAYNM-UHFFFAOYSA-N 1 0 339.352 -1.088 20 0 EAADRO O=C(C[NH2+]CCNC(=O)c1noc2c1COCC2)N1CCOCC1 ZINC001151693900 793214621 /nfs/dbraw/zinc/21/46/21/793214621.db2.gz XGFHRVAFBPOJRF-UHFFFAOYSA-N 1 0 338.364 -1.075 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1noc2c1COCC2)C(=O)NC(N)=O ZINC001151707091 793214300 /nfs/dbraw/zinc/21/43/00/793214300.db2.gz ABQLIIZMOVJJAU-SSDOTTSWSA-N 1 0 325.325 -1.350 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1noc2c1COCC2)C(=O)NC(N)=O ZINC001151707092 793215473 /nfs/dbraw/zinc/21/54/73/793215473.db2.gz ABQLIIZMOVJJAU-ZETCQYMHSA-N 1 0 325.325 -1.350 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1noc2c1COCC2 ZINC001151707121 793216054 /nfs/dbraw/zinc/21/60/54/793216054.db2.gz BBSUQHNFXLMIAD-UHFFFAOYSA-N 1 0 332.382 -1.384 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1noc2c1COCC2 ZINC001151707243 793214401 /nfs/dbraw/zinc/21/44/01/793214401.db2.gz CQNIRRKOCLQEOZ-UHFFFAOYSA-N 1 0 337.336 -1.382 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1noc2c1COCC2 ZINC001151707646 793216070 /nfs/dbraw/zinc/21/60/70/793216070.db2.gz NUKZETLGSNSKIS-MRVPVSSYSA-N 1 0 339.352 -1.089 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1noc2c1COCC2 ZINC001151707647 793214384 /nfs/dbraw/zinc/21/43/84/793214384.db2.gz NUKZETLGSNSKIS-QMMMGPOBSA-N 1 0 339.352 -1.089 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH]nc2C1)N1CCNC(=O)C1 ZINC001151707808 793215530 /nfs/dbraw/zinc/21/55/30/793215530.db2.gz QDWDHLLNVBWAQL-LLVKDONJSA-N 1 0 348.407 -1.821 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2c[nH]nc2C1)N1CCNC(=O)C1 ZINC001151707809 793215761 /nfs/dbraw/zinc/21/57/61/793215761.db2.gz 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O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001151716389 793215775 /nfs/dbraw/zinc/21/57/75/793215775.db2.gz MEKKCIZWOOBDMN-SNVBAGLBSA-N 1 0 334.380 -1.228 20 0 EAADRO Cn1nc(C2CC2)nc1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001151722503 793214223 /nfs/dbraw/zinc/21/42/23/793214223.db2.gz AOTCRMJZAWNZDH-JTQLQIEISA-N 1 0 334.380 -1.254 20 0 EAADRO Cn1nc(C2CC2)nc1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151722504 793216040 /nfs/dbraw/zinc/21/60/40/793216040.db2.gz AOTCRMJZAWNZDH-SNVBAGLBSA-N 1 0 334.380 -1.254 20 0 EAADRO Cn1nc(C2CC2)nc1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001151722948 793215967 /nfs/dbraw/zinc/21/59/67/793215967.db2.gz GURUAZKOTGCFFM-UHFFFAOYSA-N 1 0 329.426 -1.015 20 0 EAADRO Cn1nc(C2CC2)nc1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001151723079 793215692 /nfs/dbraw/zinc/21/56/92/793215692.db2.gz IWXKVLWECORLJN-UHFFFAOYSA-N 1 0 335.412 -1.034 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nc(C2CC2)nn1C ZINC001151723775 793215849 /nfs/dbraw/zinc/21/58/49/793215849.db2.gz 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336.458 -1.696 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001151738401 790532835 /nfs/dbraw/zinc/53/28/35/790532835.db2.gz IBLAYCWNXXREHC-KBPBESRZSA-N 1 0 333.429 -1.563 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001151738405 790533162 /nfs/dbraw/zinc/53/31/62/790533162.db2.gz IBLAYCWNXXREHC-KGLIPLIRSA-N 1 0 333.429 -1.563 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001151738413 790533109 /nfs/dbraw/zinc/53/31/09/790533109.db2.gz IBLAYCWNXXREHC-UONOGXRCSA-N 1 0 333.429 -1.563 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001151738416 790534822 /nfs/dbraw/zinc/53/48/22/790534822.db2.gz IBLAYCWNXXREHC-ZIAGYGMSSA-N 1 0 333.429 -1.563 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001151739398 793214276 /nfs/dbraw/zinc/21/42/76/793214276.db2.gz LWDUUUBRSJJOBZ-JTQLQIEISA-N 1 0 342.425 -1.097 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001151739399 793216020 /nfs/dbraw/zinc/21/60/20/793216020.db2.gz LWDUUUBRSJJOBZ-SNVBAGLBSA-N 1 0 342.425 -1.097 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151739828 793215950 /nfs/dbraw/zinc/21/59/50/793215950.db2.gz OAVIZLZKLJVLSD-LLVKDONJSA-N 1 0 327.385 -2.035 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151739829 793215225 /nfs/dbraw/zinc/21/52/25/793215225.db2.gz OAVIZLZKLJVLSD-NSHDSACASA-N 1 0 327.385 -2.035 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001151739892 793214674 /nfs/dbraw/zinc/21/46/74/793214674.db2.gz ORXQQDKHQFIUHQ-AWEZNQCLSA-N 1 0 330.429 -1.434 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001151739893 793215585 /nfs/dbraw/zinc/21/55/85/793215585.db2.gz ORXQQDKHQFIUHQ-CQSZACIVSA-N 1 0 330.429 -1.434 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001151740253 793214786 /nfs/dbraw/zinc/21/47/86/793214786.db2.gz RARJJQDLYUTVTC-CHWSQXEVSA-N 1 0 333.454 -1.152 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001151740254 793215874 /nfs/dbraw/zinc/21/58/74/793215874.db2.gz RARJJQDLYUTVTC-OLZOCXBDSA-N 1 0 333.454 -1.152 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001151740255 793215977 /nfs/dbraw/zinc/21/59/77/793215977.db2.gz RARJJQDLYUTVTC-QWHCGFSZSA-N 1 0 333.454 -1.152 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001151740256 790533464 /nfs/dbraw/zinc/53/34/64/790533464.db2.gz RARJJQDLYUTVTC-STQMWFEESA-N 1 0 333.454 -1.152 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001151740287 793214684 /nfs/dbraw/zinc/21/46/84/793214684.db2.gz RPXJSVZOVQZVBX-GHMZBOCLSA-N 1 0 329.401 -1.743 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001151740288 793214696 /nfs/dbraw/zinc/21/46/96/793214696.db2.gz RPXJSVZOVQZVBX-MNOVXSKESA-N 1 0 329.401 -1.743 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001151740289 793214659 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CCN1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151740827 793215706 /nfs/dbraw/zinc/21/57/06/793215706.db2.gz YHCCWMPSWOXIRO-CYBMUJFWSA-N 1 0 348.469 -1.552 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151740828 793214506 /nfs/dbraw/zinc/21/45/06/793214506.db2.gz YHCCWMPSWOXIRO-ZDUSSCGKSA-N 1 0 348.469 -1.552 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001151740857 793215278 /nfs/dbraw/zinc/21/52/78/793215278.db2.gz YTLUBKDXIFQTCV-GFCCVEGCSA-N 1 0 336.458 -1.648 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001151740858 793215554 /nfs/dbraw/zinc/21/55/54/793215554.db2.gz YTLUBKDXIFQTCV-LBPRGKRZSA-N 1 0 336.458 -1.648 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001151740917 793215923 /nfs/dbraw/zinc/21/59/23/793215923.db2.gz ZKOOIDOIIOAUAZ-KBPBESRZSA-N 1 0 342.440 -1.434 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001151740918 793215101 /nfs/dbraw/zinc/21/51/01/793215101.db2.gz 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ZINC001151748073 793215995 /nfs/dbraw/zinc/21/59/95/793215995.db2.gz DBQGAQSIFOQXAR-KGLIPLIRSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001151748074 793215167 /nfs/dbraw/zinc/21/51/67/793215167.db2.gz DBQGAQSIFOQXAR-UONOGXRCSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001151748357 793215655 /nfs/dbraw/zinc/21/56/55/793215655.db2.gz DBQGAQSIFOQXAR-ZIAGYGMSSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151748390 790542522 /nfs/dbraw/zinc/54/25/22/790542522.db2.gz DUSPDZDVTHBYBL-AWEZNQCLSA-N 1 0 342.440 -1.292 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151748393 793215402 /nfs/dbraw/zinc/21/54/02/793215402.db2.gz DUSPDZDVTHBYBL-CQSZACIVSA-N 1 0 342.440 -1.292 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001151748505 793214630 /nfs/dbraw/zinc/21/46/30/793214630.db2.gz FWQXFHSKXVHLLS-GFCCVEGCSA-N 1 0 343.428 -1.351 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CCN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001151749286 793218124 /nfs/dbraw/zinc/21/81/24/793218124.db2.gz UKFMAPFJYMAMGB-CYBMUJFWSA-N 1 0 330.429 -1.434 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001151749287 793216488 /nfs/dbraw/zinc/21/64/88/793216488.db2.gz UKFMAPFJYMAMGB-ZDUSSCGKSA-N 1 0 330.429 -1.434 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001151749434 790542401 /nfs/dbraw/zinc/54/24/01/790542401.db2.gz YDIQWKPNDKFVNM-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001151749435 790541669 /nfs/dbraw/zinc/54/16/69/790541669.db2.gz YDIQWKPNDKFVNM-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151749451 793217052 /nfs/dbraw/zinc/21/70/52/793217052.db2.gz YOVMRZUHTUNUCD-GFCCVEGCSA-N 1 0 341.412 -1.599 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151749452 793216784 /nfs/dbraw/zinc/21/67/84/793216784.db2.gz 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ZINC001151757357 793217019 /nfs/dbraw/zinc/21/70/19/793217019.db2.gz XISIDHHABJOTAJ-KGLIPLIRSA-N 1 0 325.413 -1.330 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151757358 793217648 /nfs/dbraw/zinc/21/76/48/793217648.db2.gz XISIDHHABJOTAJ-UONOGXRCSA-N 1 0 325.413 -1.330 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151757359 793217708 /nfs/dbraw/zinc/21/77/08/793217708.db2.gz XISIDHHABJOTAJ-ZIAGYGMSSA-N 1 0 325.413 -1.330 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151757387 793217296 /nfs/dbraw/zinc/21/72/96/793217296.db2.gz YDFGKXALDTWXPP-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CCN1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151757388 793218154 /nfs/dbraw/zinc/21/81/54/793218154.db2.gz YDFGKXALDTWXPP-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cc2ccc[nH]2)CC1 ZINC001151768153 793216702 /nfs/dbraw/zinc/21/67/02/793216702.db2.gz FITKXHIEMMFIOZ-UHFFFAOYSA-N 1 0 335.408 -1.013 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151771532 793216585 /nfs/dbraw/zinc/21/65/85/793216585.db2.gz AMVZAFPZGNRSOP-NXEZZACHSA-N 1 0 344.416 -1.285 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151771533 793216620 /nfs/dbraw/zinc/21/66/20/793216620.db2.gz AMVZAFPZGNRSOP-ZJUUUORDSA-N 1 0 344.416 -1.285 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cc2ccc[nH]2)CC1 ZINC001151774557 793217282 /nfs/dbraw/zinc/21/72/82/793217282.db2.gz BWDJWPSMHZEBGE-UHFFFAOYSA-N 1 0 335.408 -1.046 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151777313 793217363 /nfs/dbraw/zinc/21/73/63/793217363.db2.gz CYQJDCFQMJDOTE-SECBINFHSA-N 1 0 328.373 -1.967 20 0 EAADRO CC[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H](C)CNC(=O)CNC(N)=O ZINC001151777664 793217472 /nfs/dbraw/zinc/21/74/72/793217472.db2.gz IRBWZDUDDMYFJM-GHMZBOCLSA-N 1 0 334.442 -1.084 20 0 EAADRO CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H](C)CNC(=O)CNC(N)=O ZINC001151777665 793216999 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CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778398 793217406 /nfs/dbraw/zinc/21/74/06/793217406.db2.gz RXDFPFOGMJKCRP-LLVKDONJSA-N 1 0 349.457 -1.483 20 0 EAADRO CC[N@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778440 793216962 /nfs/dbraw/zinc/21/69/62/793216962.db2.gz UXGOAVNMOXZVSG-NEPJUHHUSA-N 1 0 334.417 -1.495 20 0 EAADRO CC[N@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778441 793217831 /nfs/dbraw/zinc/21/78/31/793217831.db2.gz UXGOAVNMOXZVSG-VXGBXAGGSA-N 1 0 334.417 -1.495 20 0 EAADRO CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778609 793216516 /nfs/dbraw/zinc/21/65/16/793216516.db2.gz UYXOTBFNXOOSRG-SNVBAGLBSA-N 1 0 337.446 -1.627 20 0 EAADRO CC[N@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778730 793216981 /nfs/dbraw/zinc/21/69/81/793216981.db2.gz ZFBAHXGVNPWSEO-SNVBAGLBSA-N 1 0 342.400 -1.577 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2ccc[nH]2)C1 ZINC001151781128 793218095 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0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001152096938 793221907 /nfs/dbraw/zinc/22/19/07/793221907.db2.gz FGPBRWQKMUEAQA-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C)n1 ZINC001152097038 793221869 /nfs/dbraw/zinc/22/18/69/793221869.db2.gz HKYADVVXMZZRAU-UHFFFAOYSA-N 1 0 345.425 -1.028 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001152097094 793222223 /nfs/dbraw/zinc/22/22/23/793222223.db2.gz ITZVJZFQWFLILR-UHFFFAOYSA-N 1 0 329.444 -1.982 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152097297 793222117 /nfs/dbraw/zinc/22/21/17/793222117.db2.gz LTWRVYFLDOTFGA-UHFFFAOYSA-N 1 0 336.458 -1.160 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001152097473 793220807 /nfs/dbraw/zinc/22/08/07/793220807.db2.gz NRZGSSDCLNBFPB-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152097496 793221670 /nfs/dbraw/zinc/22/16/70/793221670.db2.gz OEPTXYLBQPUTPW-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001152097533 793221201 /nfs/dbraw/zinc/22/12/01/793221201.db2.gz QAIUNUZUJNXBLK-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001152097645 793222304 /nfs/dbraw/zinc/22/23/04/793222304.db2.gz RMCORCIZHYIXAS-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152097652 793221805 /nfs/dbraw/zinc/22/18/05/793221805.db2.gz RPSGBANGDNSLHO-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152097654 793221883 /nfs/dbraw/zinc/22/18/83/793221883.db2.gz RPSGBANGDNSLHO-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CCCC(=O)N1CCC(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001152097682 793221796 /nfs/dbraw/zinc/22/17/96/793221796.db2.gz SAYPWUVLHWURSO-UHFFFAOYSA-N 1 0 341.412 -1.074 20 0 EAADRO Cc1nnc2n1C[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)CC2 ZINC001152097697 793221460 /nfs/dbraw/zinc/22/14/60/793221460.db2.gz SFNQPUDRGCXNPS-GFCCVEGCSA-N 1 0 335.412 -1.120 20 0 EAADRO Cc1nnc2n1C[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)CC2 ZINC001152097707 793221510 /nfs/dbraw/zinc/22/15/10/793221510.db2.gz SFNQPUDRGCXNPS-LBPRGKRZSA-N 1 0 335.412 -1.120 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001152097715 793222170 /nfs/dbraw/zinc/22/21/70/793222170.db2.gz SIBJXVZQLFZVPQ-UHFFFAOYSA-N 1 0 344.437 -1.127 20 0 EAADRO Cc1nnc2n1C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001152097856 793221217 /nfs/dbraw/zinc/22/12/17/793221217.db2.gz UYILEIRLHZMFBV-LLVKDONJSA-N 1 0 349.395 -1.593 20 0 EAADRO Cc1nnc2n1C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC2 ZINC001152097857 793221405 /nfs/dbraw/zinc/22/14/05/793221405.db2.gz UYILEIRLHZMFBV-NSHDSACASA-N 1 0 349.395 -1.593 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152097879 793221895 /nfs/dbraw/zinc/22/18/95/793221895.db2.gz VSWJDKQEWOOFIQ-UHFFFAOYSA-N 1 0 337.402 -2.571 20 0 EAADRO Cc1nnc2n1C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001152097918 793221470 /nfs/dbraw/zinc/22/14/70/793221470.db2.gz XGGVGJXVLDOLPW-LLVKDONJSA-N 1 0 344.441 -1.596 20 0 EAADRO Cc1nnc2n1C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC2 ZINC001152097919 793221147 /nfs/dbraw/zinc/22/11/47/793221147.db2.gz XGGVGJXVLDOLPW-NSHDSACASA-N 1 0 344.441 -1.596 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C)nn1 ZINC001152098024 790829406 /nfs/dbraw/zinc/82/94/06/790829406.db2.gz YWIHBXBORWYVFB-UHFFFAOYSA-N 1 0 345.425 -1.028 20 0 EAADRO CCCC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001152102084 793222267 /nfs/dbraw/zinc/22/22/67/793222267.db2.gz KWOJYNQXKRPZPZ-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCCC(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001152102085 793221769 /nfs/dbraw/zinc/22/17/69/793221769.db2.gz KWOJYNQXKRPZPZ-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CCCC(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152103345 790828112 /nfs/dbraw/zinc/82/81/12/790828112.db2.gz VXFHFQJPICUFCU-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CCCC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152103364 793221420 /nfs/dbraw/zinc/22/14/20/793221420.db2.gz VXFHFQJPICUFCU-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CNC(=O)OC ZINC001152104265 793220873 /nfs/dbraw/zinc/22/08/73/793220873.db2.gz RPPRWPLERXCPCF-SNVBAGLBSA-N 1 0 343.384 -1.279 20 0 EAADRO CCCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001152109679 793221614 /nfs/dbraw/zinc/22/16/14/793221614.db2.gz ISSIMLXISJXBCV-LLVKDONJSA-N 1 0 341.412 -1.074 20 0 EAADRO CCCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001152109680 793222027 /nfs/dbraw/zinc/22/20/27/793222027.db2.gz ISSIMLXISJXBCV-NSHDSACASA-N 1 0 341.412 -1.074 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001152135779 793220938 /nfs/dbraw/zinc/22/09/38/793220938.db2.gz DFTRRHUNCYEIAP-NSHDSACASA-N 1 0 340.380 -1.730 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152149296 793221810 /nfs/dbraw/zinc/22/18/10/793221810.db2.gz WMLGCCUCXCCMLY-GFCCVEGCSA-N 1 0 338.412 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152149297 793222092 /nfs/dbraw/zinc/22/20/92/793222092.db2.gz WMLGCCUCXCCMLY-LBPRGKRZSA-N 1 0 338.412 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152154493 793220833 /nfs/dbraw/zinc/22/08/33/793220833.db2.gz ABDWKWZVDHTXQF-GFCCVEGCSA-N 1 0 338.412 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152154496 793221758 /nfs/dbraw/zinc/22/17/58/793221758.db2.gz ABDWKWZVDHTXQF-LBPRGKRZSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1)N1CCNC(=O)C1 ZINC001152154572 793221991 /nfs/dbraw/zinc/22/19/91/793221991.db2.gz BBELHEOSYYISRD-LLVKDONJSA-N 1 0 349.395 -2.495 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1)N1CCNC(=O)C1 ZINC001152154577 793221022 /nfs/dbraw/zinc/22/10/22/793221022.db2.gz BBELHEOSYYISRD-NSHDSACASA-N 1 0 349.395 -2.495 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCc2nncn2C1 ZINC001152154718 793221880 /nfs/dbraw/zinc/22/18/80/793221880.db2.gz CACVSTYOOPEXQD-JTQLQIEISA-N 1 0 335.368 -1.902 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCc2nncn2C1 ZINC001152154721 793220922 /nfs/dbraw/zinc/22/09/22/793220922.db2.gz CACVSTYOOPEXQD-SNVBAGLBSA-N 1 0 335.368 -1.902 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152154934 793221981 /nfs/dbraw/zinc/22/19/81/793221981.db2.gz DNKOFRUJGAHJFW-LLVKDONJSA-N 1 0 329.426 -1.019 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152154941 793221974 /nfs/dbraw/zinc/22/19/74/793221974.db2.gz DNKOFRUJGAHJFW-NSHDSACASA-N 1 0 329.426 -1.019 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152155035 793220908 /nfs/dbraw/zinc/22/09/08/793220908.db2.gz FCOYBWYALPKQGV-CYBMUJFWSA-N 1 0 338.412 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152155037 793221272 /nfs/dbraw/zinc/22/12/72/793221272.db2.gz FCOYBWYALPKQGV-ZDUSSCGKSA-N 1 0 338.412 -1.301 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1)NC(=O)NC1CC1 ZINC001152155243 793221833 /nfs/dbraw/zinc/22/18/33/793221833.db2.gz FVVBIJQFXMSZMJ-JTQLQIEISA-N 1 0 349.395 -1.466 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1)NC(=O)NC1CC1 ZINC001152155247 793222003 /nfs/dbraw/zinc/22/20/03/793222003.db2.gz FVVBIJQFXMSZMJ-SNVBAGLBSA-N 1 0 349.395 -1.466 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152155564 793221691 /nfs/dbraw/zinc/22/16/91/793221691.db2.gz ISUWFYATQUSDRR-JTQLQIEISA-N 1 0 337.384 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152155567 793221346 /nfs/dbraw/zinc/22/13/46/793221346.db2.gz ISUWFYATQUSDRR-SNVBAGLBSA-N 1 0 337.384 -1.608 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1)Nc1cnccn1 ZINC001152156094 793221727 /nfs/dbraw/zinc/22/17/27/793221727.db2.gz MOKLFQRHGPFXKC-LLVKDONJSA-N 1 0 344.379 -1.025 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1)Nc1cnccn1 ZINC001152156095 793221042 /nfs/dbraw/zinc/22/10/42/793221042.db2.gz MOKLFQRHGPFXKC-NSHDSACASA-N 1 0 344.379 -1.025 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1)S(C)(=O)=O ZINC001152156189 790978333 /nfs/dbraw/zinc/97/83/33/790978333.db2.gz MYKOFHASCADAAJ-LLVKDONJSA-N 1 0 344.441 -1.562 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1)S(C)(=O)=O ZINC001152156195 790978629 /nfs/dbraw/zinc/97/86/29/790978629.db2.gz MYKOFHASCADAAJ-NSHDSACASA-N 1 0 344.441 -1.562 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCc2nncn2C1 ZINC001152156233 793223236 /nfs/dbraw/zinc/22/32/36/793223236.db2.gz NEZGSECNAZAQGV-LLVKDONJSA-N 1 0 349.395 -1.512 20 0 EAADRO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCc2nncn2C1 ZINC001152156234 793223614 /nfs/dbraw/zinc/22/36/14/793223614.db2.gz NEZGSECNAZAQGV-NSHDSACASA-N 1 0 349.395 -1.512 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152156575 793223214 /nfs/dbraw/zinc/22/32/14/793223214.db2.gz OGWRDQXRXHYPJM-LLVKDONJSA-N 1 0 344.441 -1.514 20 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/nfs/dbraw/zinc/97/88/72/790978872.db2.gz VQCGJQKLGHKFMG-NEPJUHHUSA-N 1 0 341.437 -1.019 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCc2nncn2C1 ZINC001152157403 790979802 /nfs/dbraw/zinc/97/98/02/790979802.db2.gz VQCGJQKLGHKFMG-NWDGAFQWSA-N 1 0 341.437 -1.019 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCc2nncn2C1 ZINC001152157404 790978398 /nfs/dbraw/zinc/97/83/98/790978398.db2.gz VQCGJQKLGHKFMG-RYUDHWBXSA-N 1 0 341.437 -1.019 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCc2nncn2C1 ZINC001152157406 790978660 /nfs/dbraw/zinc/97/86/60/790978660.db2.gz VQCGJQKLGHKFMG-VXGBXAGGSA-N 1 0 341.437 -1.019 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1)N1CCOCC1 ZINC001152157419 790979104 /nfs/dbraw/zinc/97/91/04/790979104.db2.gz VRRYBPWUBROJNF-GFCCVEGCSA-N 1 0 336.396 -1.595 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1)N1CCOCC1 ZINC001152157424 790979755 /nfs/dbraw/zinc/97/97/55/790979755.db2.gz VRRYBPWUBROJNF-LBPRGKRZSA-N 1 0 336.396 -1.595 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152157729 790978380 /nfs/dbraw/zinc/97/83/80/790978380.db2.gz YJKOKSOEBGDWBS-JTQLQIEISA-N 1 0 330.414 -1.905 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152157732 790978212 /nfs/dbraw/zinc/97/82/12/790978212.db2.gz YJKOKSOEBGDWBS-SNVBAGLBSA-N 1 0 330.414 -1.905 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCc2nncn2C1 ZINC001152161323 793223641 /nfs/dbraw/zinc/22/36/41/793223641.db2.gz HSLMFNMGYKORFM-LLVKDONJSA-N 1 0 334.380 -1.305 20 0 EAADRO O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCc2nncn2C1 ZINC001152161324 793223346 /nfs/dbraw/zinc/22/33/46/793223346.db2.gz HSLMFNMGYKORFM-NSHDSACASA-N 1 0 334.380 -1.305 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1CCc2nncn2C1 ZINC001152161569 793223853 /nfs/dbraw/zinc/22/38/53/793223853.db2.gz KHDPQZOEHRXXML-CHWSQXEVSA-N 1 0 333.396 -1.196 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1CCc2nncn2C1 ZINC001152161571 793223567 /nfs/dbraw/zinc/22/35/67/793223567.db2.gz KHDPQZOEHRXXML-OLZOCXBDSA-N 1 0 333.396 -1.196 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@H]1CCc2nncn2C1 ZINC001152161631 793223224 /nfs/dbraw/zinc/22/32/24/793223224.db2.gz KHDPQZOEHRXXML-QWHCGFSZSA-N 1 0 333.396 -1.196 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@H]1CCc2nncn2C1 ZINC001152161632 793223034 /nfs/dbraw/zinc/22/30/34/793223034.db2.gz KHDPQZOEHRXXML-STQMWFEESA-N 1 0 333.396 -1.196 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152162445 793223271 /nfs/dbraw/zinc/22/32/71/793223271.db2.gz WRSSUZXAYSZPBL-NXEZZACHSA-N 1 0 337.384 -1.610 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152162447 793223386 /nfs/dbraw/zinc/22/33/86/793223386.db2.gz WRSSUZXAYSZPBL-UWVGGRQHSA-N 1 0 337.384 -1.610 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152162448 793222935 /nfs/dbraw/zinc/22/29/35/793222935.db2.gz WRSSUZXAYSZPBL-VHSXEESVSA-N 1 0 337.384 -1.610 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152162450 793223503 /nfs/dbraw/zinc/22/35/03/793223503.db2.gz WRSSUZXAYSZPBL-ZJUUUORDSA-N 1 0 337.384 -1.610 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)N1CCCCC1=O ZINC001152162641 793224037 /nfs/dbraw/zinc/22/40/37/793224037.db2.gz YQKHBJPBBDVHEC-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)N1CCCCC1=O ZINC001152162642 793223487 /nfs/dbraw/zinc/22/34/87/793223487.db2.gz YQKHBJPBBDVHEC-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)N1CCCCC1=O ZINC001152162662 793223681 /nfs/dbraw/zinc/22/36/81/793223681.db2.gz ZHKOOVLUIBZHHY-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)N1CCCCC1=O ZINC001152162663 793223083 /nfs/dbraw/zinc/22/30/83/793223083.db2.gz ZHKOOVLUIBZHHY-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)N1CCCCC1=O ZINC001152168513 793223051 /nfs/dbraw/zinc/22/30/51/793223051.db2.gz DXJUSRBXXBUWPJ-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)N1CCCCC1=O ZINC001152168515 793223531 /nfs/dbraw/zinc/22/35/31/793223531.db2.gz DXJUSRBXXBUWPJ-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)N1CCCCC1=O ZINC001152168516 793223327 /nfs/dbraw/zinc/22/33/27/793223327.db2.gz DXJUSRBXXBUWPJ-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)N1CCCCC1=O ZINC001152168518 793223333 /nfs/dbraw/zinc/22/33/33/793223333.db2.gz DXJUSRBXXBUWPJ-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)N1CCCCC1=O)C(=O)NC(N)=O ZINC001152168571 793222914 /nfs/dbraw/zinc/22/29/14/793222914.db2.gz FYZICDYKFJBKEX-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@H](C)N1CCCCC1=O)C(=O)NC(N)=O ZINC001152168574 793222818 /nfs/dbraw/zinc/22/28/18/793222818.db2.gz FYZICDYKFJBKEX-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)N1CCCCC1=O ZINC001152168577 793223018 /nfs/dbraw/zinc/22/30/18/793223018.db2.gz FYZICDYKFJBKEX-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](C)N1CCCCC1=O)C(=O)NC(N)=O ZINC001152168578 793223547 /nfs/dbraw/zinc/22/35/47/793223547.db2.gz FYZICDYKFJBKEX-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)N1CCCCC1=O ZINC001152168630 790982542 /nfs/dbraw/zinc/98/25/42/790982542.db2.gz GQJIMJGWFPERFG-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)N1CCCCC1=O ZINC001152168633 790981193 /nfs/dbraw/zinc/98/11/93/790981193.db2.gz GQJIMJGWFPERFG-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)N1CCCCC1=O ZINC001152169886 793223357 /nfs/dbraw/zinc/22/33/57/793223357.db2.gz OTNHJRLYKQPABW-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)N1CCCCC1=O ZINC001152169887 793223068 /nfs/dbraw/zinc/22/30/68/793223068.db2.gz OTNHJRLYKQPABW-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)N1CCCCC1=O ZINC001152170032 793223242 /nfs/dbraw/zinc/22/32/42/793223242.db2.gz PTBGKYHFKASZNS-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)N1CCCCC1=O ZINC001152170033 793223277 /nfs/dbraw/zinc/22/32/77/793223277.db2.gz PTBGKYHFKASZNS-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)N1CCCCC1=O ZINC001152170437 793223414 /nfs/dbraw/zinc/22/34/14/793223414.db2.gz XSYJXDBYFKQNGM-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)N1CCCCC1=O ZINC001152170438 793223350 /nfs/dbraw/zinc/22/33/50/793223350.db2.gz XSYJXDBYFKQNGM-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@H](NC(=O)C1CCCCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152176964 793223783 /nfs/dbraw/zinc/22/37/83/793223783.db2.gz ADIFHNXUMPLQPX-JTQLQIEISA-N 1 0 341.412 -1.028 20 0 EAADRO CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152177132 793224072 /nfs/dbraw/zinc/22/40/72/793224072.db2.gz HGEFQOLBUNWYSS-LLVKDONJSA-N 1 0 341.412 -1.076 20 0 EAADRO CC(C)C(=O)N1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152177133 793223433 /nfs/dbraw/zinc/22/34/33/793223433.db2.gz HGEFQOLBUNWYSS-NSHDSACASA-N 1 0 341.412 -1.076 20 0 EAADRO CCOCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152195746 793223176 /nfs/dbraw/zinc/22/31/76/793223176.db2.gz OVGKEBVDIITEPN-GFCCVEGCSA-N 1 0 344.412 -1.908 20 0 EAADRO CCOCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152195747 793223313 /nfs/dbraw/zinc/22/33/13/793223313.db2.gz OVGKEBVDIITEPN-LBPRGKRZSA-N 1 0 344.412 -1.908 20 0 EAADRO CCOCCO[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001152202430 793223578 /nfs/dbraw/zinc/22/35/78/793223578.db2.gz MHINETZGTMZGCH-GHMZBOCLSA-N 1 0 332.401 -1.022 20 0 EAADRO CCOCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001152202431 793223754 /nfs/dbraw/zinc/22/37/54/793223754.db2.gz MHINETZGTMZGCH-MNOVXSKESA-N 1 0 332.401 -1.022 20 0 EAADRO CCOCCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001152202432 793223116 /nfs/dbraw/zinc/22/31/16/793223116.db2.gz MHINETZGTMZGCH-QWRGUYRKSA-N 1 0 332.401 -1.022 20 0 EAADRO CCOCCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001152202433 793223515 /nfs/dbraw/zinc/22/35/15/793223515.db2.gz MHINETZGTMZGCH-WDEREUQCSA-N 1 0 332.401 -1.022 20 0 EAADRO CCOCCO[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152202870 791003501 /nfs/dbraw/zinc/00/35/01/791003501.db2.gz RKQAFXWJCFNAHV-LLVKDONJSA-N 1 0 330.385 -1.314 20 0 EAADRO CCOCCO[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152202878 791004191 /nfs/dbraw/zinc/00/41/91/791004191.db2.gz RKQAFXWJCFNAHV-NSHDSACASA-N 1 0 330.385 -1.314 20 0 EAADRO CCOCCO[C@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152203378 793223394 /nfs/dbraw/zinc/22/33/94/793223394.db2.gz ZTMMMWRSGNDFKS-LLVKDONJSA-N 1 0 325.431 -1.317 20 0 EAADRO CCOCCO[C@@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152203379 793223979 /nfs/dbraw/zinc/22/39/79/793223979.db2.gz ZTMMMWRSGNDFKS-NSHDSACASA-N 1 0 325.431 -1.317 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1cnn(C)c1 ZINC001152208297 793223895 /nfs/dbraw/zinc/22/38/95/793223895.db2.gz IWQOORMPSKIWIA-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO CCOCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152208437 793223145 /nfs/dbraw/zinc/22/31/45/793223145.db2.gz KTCURBQIWDHFLC-CYBMUJFWSA-N 1 0 331.413 -1.007 20 0 EAADRO CCOCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152208439 793223161 /nfs/dbraw/zinc/22/31/61/793223161.db2.gz KTCURBQIWDHFLC-ZDUSSCGKSA-N 1 0 331.413 -1.007 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCc1cnn(C)c1)S(C)(=O)=O ZINC001152208648 793223928 /nfs/dbraw/zinc/22/39/28/793223928.db2.gz QDUWFFLVRIMFOK-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCCOCC ZINC001152209146 793222769 /nfs/dbraw/zinc/22/27/69/793222769.db2.gz XZRILHVXJLMQCO-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)OCCOCC ZINC001152209147 793223258 /nfs/dbraw/zinc/22/32/58/793223258.db2.gz XZRILHVXJLMQCO-NSHDSACASA-N 1 0 332.401 -1.021 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC001152216087 793223908 /nfs/dbraw/zinc/22/39/08/793223908.db2.gz RHXKTUOVKVMKMQ-UHFFFAOYSA-N 1 0 348.407 -1.344 20 0 EAADRO O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152223660 791018681 /nfs/dbraw/zinc/01/86/81/791018681.db2.gz NOTVCIJIOCAGHL-UHFFFAOYSA-N 1 0 339.440 -1.473 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001152230776 793223201 /nfs/dbraw/zinc/22/32/01/793223201.db2.gz KMDWHESNVHOZLJ-UHFFFAOYSA-N 1 0 336.396 -1.983 20 0 EAADRO CCC[C@@H](C)N1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001152245502 793223879 /nfs/dbraw/zinc/22/38/79/793223879.db2.gz ITMOFAHKJSYCQL-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC[C@@H](C)N1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001152245503 793223591 /nfs/dbraw/zinc/22/35/91/793223591.db2.gz ITMOFAHKJSYCQL-MNOVXSKESA-N 1 0 341.412 -1.076 20 0 EAADRO CCC[C@H](C)N1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001152245504 793223863 /nfs/dbraw/zinc/22/38/63/793223863.db2.gz ITMOFAHKJSYCQL-QWRGUYRKSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC[C@H](C)N1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001152245605 793223192 /nfs/dbraw/zinc/22/31/92/793223192.db2.gz ITMOFAHKJSYCQL-WDEREUQCSA-N 1 0 341.412 -1.076 20 0 EAADRO CCn1cc(CC[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)cn1 ZINC001152254221 793223943 /nfs/dbraw/zinc/22/39/43/793223943.db2.gz AOYVYVUQRROXLA-UHFFFAOYSA-N 1 0 348.411 -1.441 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)c1cnccn1 ZINC001152254222 793223168 /nfs/dbraw/zinc/22/31/68/793223168.db2.gz ASENQKSYEAIZGQ-LLVKDONJSA-N 1 0 332.368 -1.349 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)c1cnccn1 ZINC001152254223 793223230 /nfs/dbraw/zinc/22/32/30/793223230.db2.gz ASENQKSYEAIZGQ-NSHDSACASA-N 1 0 332.368 -1.349 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)COc1cccc(C(N)=O)c1 ZINC001152254224 793223106 /nfs/dbraw/zinc/22/31/06/793223106.db2.gz ASYODUXMZHSWRJ-GFCCVEGCSA-N 1 0 325.365 -1.123 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)COc1cccc(C(N)=O)c1 ZINC001152254225 793223128 /nfs/dbraw/zinc/22/31/28/793223128.db2.gz ASYODUXMZHSWRJ-LBPRGKRZSA-N 1 0 325.365 -1.123 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C(N)=O ZINC001152254232 793223318 /nfs/dbraw/zinc/22/33/18/793223318.db2.gz AZUVLLFWDULVGL-LLVKDONJSA-N 1 0 339.400 -1.856 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C(N)=O ZINC001152254233 793223734 /nfs/dbraw/zinc/22/37/34/793223734.db2.gz AZUVLLFWDULVGL-NSHDSACASA-N 1 0 339.400 -1.856 20 0 EAADRO CO[C@H](C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C1CCC1 ZINC001152254236 793223453 /nfs/dbraw/zinc/22/34/53/793223453.db2.gz BAFMIBMBJZFTRN-CYBMUJFWSA-N 1 0 338.412 -1.085 20 0 EAADRO CO[C@@H](C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C1CCC1 ZINC001152254237 793223183 /nfs/dbraw/zinc/22/31/83/793223183.db2.gz BAFMIBMBJZFTRN-ZDUSSCGKSA-N 1 0 338.412 -1.085 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)n1 ZINC001152254247 793223284 /nfs/dbraw/zinc/22/32/84/793223284.db2.gz BMULUHKDKDNAFJ-UHFFFAOYSA-N 1 0 348.367 -1.901 20 0 EAADRO CC(C)OCCC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254250 793222963 /nfs/dbraw/zinc/22/29/63/793222963.db2.gz BOLQWLLGLXBROS-UHFFFAOYSA-N 1 0 326.401 -1.085 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254253 793223996 /nfs/dbraw/zinc/22/39/96/793223996.db2.gz BSWRXADUHJNGHU-UHFFFAOYSA-N 1 0 335.372 -2.088 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254254 793223961 /nfs/dbraw/zinc/22/39/61/793223961.db2.gz BTFNYSBUGWAMRT-UHFFFAOYSA-N 1 0 339.400 -2.033 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001152254256 793223770 /nfs/dbraw/zinc/22/37/70/793223770.db2.gz BWGONETWMHTTMF-DOMZBBRYSA-N 1 0 336.396 -1.473 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001152254257 793223340 /nfs/dbraw/zinc/22/33/40/793223340.db2.gz BWGONETWMHTTMF-IUODEOHRSA-N 1 0 336.396 -1.473 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001152254258 793223100 /nfs/dbraw/zinc/22/31/00/793223100.db2.gz BWGONETWMHTTMF-SWLSCSKDSA-N 1 0 336.396 -1.473 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001152254259 793223291 /nfs/dbraw/zinc/22/32/91/793223291.db2.gz BWGONETWMHTTMF-WFASDCNBSA-N 1 0 336.396 -1.473 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)n1 ZINC001152254260 793223251 /nfs/dbraw/zinc/22/32/51/793223251.db2.gz BXCXAEITGDDMDV-UHFFFAOYSA-N 1 0 348.367 -1.901 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]CCOCC1CCC1 ZINC001152254263 793225847 /nfs/dbraw/zinc/22/58/47/793225847.db2.gz BXRMIIBLWRADMM-UHFFFAOYSA-N 1 0 338.412 -1.083 20 0 EAADRO C[C@@H]1C[C@H](C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)CCO1 ZINC001152254282 793225820 /nfs/dbraw/zinc/22/58/20/793225820.db2.gz DAGDLJOYOJRXOB-CHWSQXEVSA-N 1 0 338.412 -1.085 20 0 EAADRO C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)CCO1 ZINC001152254283 793225109 /nfs/dbraw/zinc/22/51/09/793225109.db2.gz DAGDLJOYOJRXOB-OLZOCXBDSA-N 1 0 338.412 -1.085 20 0 EAADRO C[C@H]1C[C@H](C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)CCO1 ZINC001152254284 793225586 /nfs/dbraw/zinc/22/55/86/793225586.db2.gz DAGDLJOYOJRXOB-QWHCGFSZSA-N 1 0 338.412 -1.085 20 0 EAADRO C[C@H]1C[C@@H](C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)CCO1 ZINC001152254285 793224579 /nfs/dbraw/zinc/22/45/79/793224579.db2.gz DAGDLJOYOJRXOB-STQMWFEESA-N 1 0 338.412 -1.085 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254286 793225376 /nfs/dbraw/zinc/22/53/76/793225376.db2.gz DBZZGNPFMCMTFW-UHFFFAOYSA-N 1 0 325.373 -2.422 20 0 EAADRO CN(C(=O)C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C1CC1 ZINC001152254289 793224760 /nfs/dbraw/zinc/22/47/60/793224760.db2.gz DECVPMDBAJTLLS-UHFFFAOYSA-N 1 0 337.384 -2.279 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]CCc1ccns1 ZINC001152254307 793224632 /nfs/dbraw/zinc/22/46/32/793224632.db2.gz DTJBNUGIPMUWRV-UHFFFAOYSA-N 1 0 337.409 -1.201 20 0 EAADRO COc1cccc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)n1 ZINC001152254309 793225667 /nfs/dbraw/zinc/22/56/67/793225667.db2.gz DUUZATBUAXLTTR-UHFFFAOYSA-N 1 0 347.379 -1.296 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCNC(=O)CNC(=O)Cn2cncn2)C1=O ZINC001152254344 793225799 /nfs/dbraw/zinc/22/57/99/793225799.db2.gz GQFUYDQMDZSUQI-LLVKDONJSA-N 1 0 337.384 -2.279 20 0 EAADRO CCN1CC[C@H]([NH2+]CCNC(=O)CNC(=O)Cn2cncn2)C1=O ZINC001152254345 793225402 /nfs/dbraw/zinc/22/54/02/793225402.db2.gz GQFUYDQMDZSUQI-NSHDSACASA-N 1 0 337.384 -2.279 20 0 EAADRO CCO[C@H](C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C1CC1 ZINC001152254354 793225574 /nfs/dbraw/zinc/22/55/74/793225574.db2.gz GTTRVMIPNFKDOK-CYBMUJFWSA-N 1 0 338.412 -1.085 20 0 EAADRO CCO[C@@H](C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C1CC1 ZINC001152254355 793224991 /nfs/dbraw/zinc/22/49/91/793224991.db2.gz GTTRVMIPNFKDOK-ZDUSSCGKSA-N 1 0 338.412 -1.085 20 0 EAADRO Cc1nnsc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254358 793225726 /nfs/dbraw/zinc/22/57/26/793225726.db2.gz GWMKYPOTPIJBRD-UHFFFAOYSA-N 1 0 338.397 -1.540 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]CC(=O)NCC1CC1 ZINC001152254373 793224608 /nfs/dbraw/zinc/22/46/08/793224608.db2.gz HPDIXLITFGVZKH-UHFFFAOYSA-N 1 0 337.384 -2.374 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254381 793224793 /nfs/dbraw/zinc/22/47/93/793224793.db2.gz HYRXGDRLPHVNKW-UHFFFAOYSA-N 1 0 325.373 -2.374 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254382 793224825 /nfs/dbraw/zinc/22/48/25/793224825.db2.gz HZHUDRNBNOHILF-UHFFFAOYSA-N 1 0 339.400 -2.032 20 0 EAADRO CCc1nocc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254387 793225634 /nfs/dbraw/zinc/22/56/34/793225634.db2.gz IHALZZWDAQWFGV-UHFFFAOYSA-N 1 0 335.368 -1.149 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]CCN1CCCC1=O ZINC001152254393 793225681 /nfs/dbraw/zinc/22/56/81/793225681.db2.gz IXIOJKXPFRKHHD-UHFFFAOYSA-N 1 0 337.384 -2.278 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]CCOCC(F)F ZINC001152254396 793225000 /nfs/dbraw/zinc/22/50/00/793225000.db2.gz IZYAXNRAVCQEIK-UHFFFAOYSA-N 1 0 334.327 -1.618 20 0 EAADRO NC(=O)c1cccc(OCC(=O)NCC[NH2+]CCN2CCNC2=O)c1 ZINC001152254397 793224571 /nfs/dbraw/zinc/22/45/71/793224571.db2.gz IZZLOXIGUOTMCW-UHFFFAOYSA-N 1 0 349.391 -1.105 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]Cc1cncc(F)c1 ZINC001152254398 793224938 /nfs/dbraw/zinc/22/49/38/793224938.db2.gz JAFUEALHNZHQNB-UHFFFAOYSA-N 1 0 335.343 -1.166 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]CCN1CCNC1=O ZINC001152254402 793225564 /nfs/dbraw/zinc/22/55/64/793225564.db2.gz JCZILVOMLYJMGT-UHFFFAOYSA-N 1 0 338.372 -2.875 20 0 EAADRO Cn1nccc1CC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254403 793225830 /nfs/dbraw/zinc/22/58/30/793225830.db2.gz JDLLDDIELWZVKR-UHFFFAOYSA-N 1 0 334.384 -1.924 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254405 793224803 /nfs/dbraw/zinc/22/48/03/793224803.db2.gz JHKKKUSOERPVGM-UHFFFAOYSA-N 1 0 349.399 -1.780 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001152254418 793224750 /nfs/dbraw/zinc/22/47/50/793224750.db2.gz KBFGACPSKHEUQD-JTQLQIEISA-N 1 0 325.373 -2.423 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001152254419 793224771 /nfs/dbraw/zinc/22/47/71/793224771.db2.gz KBFGACPSKHEUQD-SNVBAGLBSA-N 1 0 325.373 -2.423 20 0 EAADRO COCCCCC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254421 793225243 /nfs/dbraw/zinc/22/52/43/793225243.db2.gz KESFTLJVRPYZOR-UHFFFAOYSA-N 1 0 326.401 -1.083 20 0 EAADRO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)cn1 ZINC001152254432 793225767 /nfs/dbraw/zinc/22/57/67/793225767.db2.gz KTEHIVDYZLBJAR-GFCCVEGCSA-N 1 0 346.395 -1.040 20 0 EAADRO Cc1cnc([C@H](C)[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)cn1 ZINC001152254433 793225356 /nfs/dbraw/zinc/22/53/56/793225356.db2.gz KTEHIVDYZLBJAR-LBPRGKRZSA-N 1 0 346.395 -1.040 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]Cc1ccc(F)cn1 ZINC001152254442 793225313 /nfs/dbraw/zinc/22/53/13/793225313.db2.gz LFWCPAZCFHZVMB-UHFFFAOYSA-N 1 0 335.343 -1.166 20 0 EAADRO Cc1noc(C)c1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254444 793224678 /nfs/dbraw/zinc/22/46/78/793224678.db2.gz LGFWGLZVOOCXIE-UHFFFAOYSA-N 1 0 335.368 -1.095 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001152254446 793225806 /nfs/dbraw/zinc/22/58/06/793225806.db2.gz LHXUBCOPFHYIDT-CQSZACIVSA-N 1 0 346.391 -1.166 20 0 EAADRO Cc1nc(C)c(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)o1 ZINC001152254448 793224809 /nfs/dbraw/zinc/22/48/09/793224809.db2.gz LMPLTGUPANKFEJ-UHFFFAOYSA-N 1 0 335.368 -1.095 20 0 EAADRO CCOC1CC(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)C1 ZINC001152254453 793225825 /nfs/dbraw/zinc/22/58/25/793225825.db2.gz LTMOIGRQCJGOID-UHFFFAOYSA-N 1 0 338.412 -1.085 20 0 EAADRO Cc1cnc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)cn1 ZINC001152254454 793225713 /nfs/dbraw/zinc/22/57/13/793225713.db2.gz LVUSGAVZUDTILD-UHFFFAOYSA-N 1 0 332.368 -1.601 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001152254457 793225231 /nfs/dbraw/zinc/22/52/31/793225231.db2.gz MAFINJBPHAQABU-UHFFFAOYSA-N 1 0 346.391 -1.207 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C(=O)NC1CC1 ZINC001152254474 793224778 /nfs/dbraw/zinc/22/47/78/793224778.db2.gz MZQJSYMNYUNBLA-JTQLQIEISA-N 1 0 337.384 -2.233 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CNC(=O)Cn1cncn1)C(=O)NC1CC1 ZINC001152254475 793224514 /nfs/dbraw/zinc/22/45/14/793224514.db2.gz MZQJSYMNYUNBLA-SNVBAGLBSA-N 1 0 337.384 -2.233 20 0 EAADRO Cc1cc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)ncn1 ZINC001152254476 793225811 /nfs/dbraw/zinc/22/58/11/793225811.db2.gz NCTVNZPKDXZKPK-UHFFFAOYSA-N 1 0 332.368 -1.601 20 0 EAADRO CC(C)COCC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254478 793223701 /nfs/dbraw/zinc/22/37/01/793223701.db2.gz NEFXEOQNNDWIEZ-UHFFFAOYSA-N 1 0 326.401 -1.227 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001152254483 793225086 /nfs/dbraw/zinc/22/50/86/793225086.db2.gz NLCWXBLRBLMYNG-UHFFFAOYSA-N 1 0 337.384 -2.278 20 0 EAADRO 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793228796 /nfs/dbraw/zinc/22/87/96/793228796.db2.gz BBMPAEJHEBWQMS-NSHDSACASA-N 1 0 340.467 -1.048 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001152376474 793228054 /nfs/dbraw/zinc/22/80/54/793228054.db2.gz CZXBXHDHWXZSTD-LLVKDONJSA-N 1 0 340.467 -1.048 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001152376475 793229612 /nfs/dbraw/zinc/22/96/12/793229612.db2.gz CZXBXHDHWXZSTD-NSHDSACASA-N 1 0 340.467 -1.048 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152376478 791187229 /nfs/dbraw/zinc/18/72/29/791187229.db2.gz DEJWNPDQZCBRLC-UHFFFAOYSA-N 1 0 341.455 -1.838 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001152376496 793229334 /nfs/dbraw/zinc/22/93/34/793229334.db2.gz DOCLBCAJTODCKM-JTQLQIEISA-N 1 0 326.440 -1.438 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001152376497 793228976 /nfs/dbraw/zinc/22/89/76/793228976.db2.gz DOCLBCAJTODCKM-SNVBAGLBSA-N 1 0 326.440 -1.438 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152376527 793228392 /nfs/dbraw/zinc/22/83/92/793228392.db2.gz FZJZUPDZHUBZKD-NSHDSACASA-N 1 0 335.426 -1.890 20 0 EAADRO Cc1cnn(CCC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC001152376930 793229109 /nfs/dbraw/zinc/22/91/09/793229109.db2.gz NZUDMTDSDOSLKZ-UHFFFAOYSA-N 1 0 348.407 -1.115 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001152376937 793229163 /nfs/dbraw/zinc/22/91/63/793229163.db2.gz OHGOKDJCJQDZDH-NEPJUHHUSA-N 1 0 340.442 -1.461 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001152376938 793229210 /nfs/dbraw/zinc/22/92/10/793229210.db2.gz OHGOKDJCJQDZDH-NWDGAFQWSA-N 1 0 340.442 -1.461 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001152376939 791186517 /nfs/dbraw/zinc/18/65/17/791186517.db2.gz OHGOKDJCJQDZDH-RYUDHWBXSA-N 1 0 340.442 -1.461 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001152376940 791186342 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CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001152383646 791190426 /nfs/dbraw/zinc/19/04/26/791190426.db2.gz JNBJGERXMYDTSU-JTQLQIEISA-N 1 0 349.409 -2.363 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001152383647 791190647 /nfs/dbraw/zinc/19/06/47/791190647.db2.gz JNBJGERXMYDTSU-SNVBAGLBSA-N 1 0 349.409 -2.363 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001152383882 793229139 /nfs/dbraw/zinc/22/91/39/793229139.db2.gz LCMAAPFJNYVCOZ-UHFFFAOYSA-N 1 0 343.471 -1.592 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001152383942 791190528 /nfs/dbraw/zinc/19/05/28/791190528.db2.gz NYUMEJGCXPOKRL-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001152384352 791187917 /nfs/dbraw/zinc/18/79/17/791187917.db2.gz SXHIYYOVIXUZGW-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001152384353 791188712 /nfs/dbraw/zinc/18/87/12/791188712.db2.gz SXHIYYOVIXUZGW-TXEJJXNPSA-N 1 0 349.453 -1.237 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001152384354 791188396 /nfs/dbraw/zinc/18/83/96/791188396.db2.gz SXHIYYOVIXUZGW-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)CC ZINC001152384606 791188414 /nfs/dbraw/zinc/18/84/14/791188414.db2.gz UNIVFDQJZIMPCL-SECBINFHSA-N 1 0 336.414 -1.639 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)CC ZINC001152384607 791189134 /nfs/dbraw/zinc/18/91/34/791189134.db2.gz UNIVFDQJZIMPCL-VIFPVBQESA-N 1 0 336.414 -1.639 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001152384679 793229006 /nfs/dbraw/zinc/22/90/06/793229006.db2.gz XKEZPCQTMRISPW-JTQLQIEISA-N 1 0 328.456 -1.192 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001152384680 793228492 /nfs/dbraw/zinc/22/84/92/793228492.db2.gz XKEZPCQTMRISPW-SNVBAGLBSA-N 1 0 328.456 -1.192 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001152384795 791188590 /nfs/dbraw/zinc/18/85/90/791188590.db2.gz YAGPWOVUAFIOHJ-LLVKDONJSA-N 1 0 335.426 -1.720 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001152384796 791188822 /nfs/dbraw/zinc/18/88/22/791188822.db2.gz YAGPWOVUAFIOHJ-NSHDSACASA-N 1 0 335.426 -1.720 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001152388664 793228767 /nfs/dbraw/zinc/22/87/67/793228767.db2.gz FWNGABQLOCEWEP-LLVKDONJSA-N 1 0 335.426 -1.578 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001152388666 793228161 /nfs/dbraw/zinc/22/81/61/793228161.db2.gz FWNGABQLOCEWEP-NSHDSACASA-N 1 0 335.426 -1.578 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152389042 793229125 /nfs/dbraw/zinc/22/91/25/793229125.db2.gz JVYGWKUCFUYDHY-UHFFFAOYSA-N 1 0 329.382 -1.444 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152389375 793228151 /nfs/dbraw/zinc/22/81/51/793228151.db2.gz LWFDONLTXGFQCN-UHFFFAOYSA-N 1 0 334.398 -1.885 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)CC ZINC001152389652 793228062 /nfs/dbraw/zinc/22/80/62/793228062.db2.gz OZJMDKCURNACAW-UHFFFAOYSA-N 1 0 336.414 -1.637 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001152389678 793228199 /nfs/dbraw/zinc/22/81/99/793228199.db2.gz PZKYRWZZBPMJOJ-JTQLQIEISA-N 1 0 343.409 -1.056 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001152389679 793227992 /nfs/dbraw/zinc/22/79/92/793227992.db2.gz PZKYRWZZBPMJOJ-SNVBAGLBSA-N 1 0 343.409 -1.056 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152389988 793228990 /nfs/dbraw/zinc/22/89/90/793228990.db2.gz XCPUBPCGSXIVNQ-UHFFFAOYSA-N 1 0 334.398 -2.915 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001152393119 793228570 /nfs/dbraw/zinc/22/85/70/793228570.db2.gz CHQOJEVRENUDEE-LLVKDONJSA-N 1 0 337.442 -1.332 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001152393120 793228372 /nfs/dbraw/zinc/22/83/72/793228372.db2.gz CHQOJEVRENUDEE-NSHDSACASA-N 1 0 337.442 -1.332 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001152393215 793228080 /nfs/dbraw/zinc/22/80/80/793228080.db2.gz HTLSZZCRPKGWMQ-UHFFFAOYSA-N 1 0 345.425 -1.192 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001152393436 793229321 /nfs/dbraw/zinc/22/93/21/793229321.db2.gz NRLIBXNIMWWYIF-SECBINFHSA-N 1 0 348.425 -1.496 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001152393437 793229574 /nfs/dbraw/zinc/22/95/74/793229574.db2.gz NRLIBXNIMWWYIF-VIFPVBQESA-N 1 0 348.425 -1.496 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001152393577 791192919 /nfs/dbraw/zinc/19/29/19/791192919.db2.gz PYFCDLUCOJGFRV-NEPJUHHUSA-N 1 0 349.453 -1.189 20 0 EAADRO CCS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001152393578 791192839 /nfs/dbraw/zinc/19/28/39/791192839.db2.gz PYFCDLUCOJGFRV-NWDGAFQWSA-N 1 0 349.453 -1.189 20 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/nfs/dbraw/zinc/19/47/78/791194778.db2.gz IQVOLFUHOBNAJY-ZETCQYMHSA-N 1 0 343.409 -1.184 20 0 EAADRO Cc1sc(=O)n(CC(=O)NCC[NH2+]CC(=O)NC(N)=O)c1C ZINC001152399565 793227969 /nfs/dbraw/zinc/22/79/69/793227969.db2.gz ZCMQVTOAAXIUGE-UHFFFAOYSA-N 1 0 329.382 -1.573 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c(C)c(C)sc1=O ZINC001152404411 791196706 /nfs/dbraw/zinc/19/67/06/791196706.db2.gz AVUAZEMRMOFBHD-UHFFFAOYSA-N 1 0 343.409 -1.312 20 0 EAADRO CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001152406253 791193875 /nfs/dbraw/zinc/19/38/75/791193875.db2.gz QVYGDCIOFZDPKM-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)nn1 ZINC001152409135 793228605 /nfs/dbraw/zinc/22/86/05/793228605.db2.gz ATCSVWFMHPITHC-UHFFFAOYSA-N 1 0 347.339 -2.489 20 0 EAADRO COc1nccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152409140 793228016 /nfs/dbraw/zinc/22/80/16/793228016.db2.gz AWACBVDGXBZQKU-UHFFFAOYSA-N 1 0 334.340 -1.918 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409165 793229431 /nfs/dbraw/zinc/22/94/31/793229431.db2.gz CCDOKYPNQCKJGX-UHFFFAOYSA-N 1 0 341.372 -2.765 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCCCC2)nn1 ZINC001152409167 793229038 /nfs/dbraw/zinc/22/90/38/793229038.db2.gz CFFGTHNBENSUIS-UHFFFAOYSA-N 1 0 337.384 -1.905 20 0 EAADRO COc1cccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152409176 793229623 /nfs/dbraw/zinc/22/96/23/793229623.db2.gz CTVFUPOIRXIFCA-UHFFFAOYSA-N 1 0 333.352 -1.313 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409199 793229390 /nfs/dbraw/zinc/22/93/90/793229390.db2.gz DNYBVENJBDMLOL-UHFFFAOYSA-N 1 0 335.372 -1.797 20 0 EAADRO COc1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)ccn1 ZINC001152409385 793230402 /nfs/dbraw/zinc/23/04/02/793230402.db2.gz ICDSJTZZIHFZGN-UHFFFAOYSA-N 1 0 333.352 -1.313 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccc(C(N)=O)cc2)nn1 ZINC001152409616 793230268 /nfs/dbraw/zinc/23/02/68/793230268.db2.gz JVSKGXCTWAHTKZ-UHFFFAOYSA-N 1 0 345.363 -1.618 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC2CCC2)nn1 ZINC001152409657 793231450 /nfs/dbraw/zinc/23/14/50/793231450.db2.gz KPKWXRYICVIYGR-UHFFFAOYSA-N 1 0 337.384 -2.001 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409668 793231183 /nfs/dbraw/zinc/23/11/83/793231183.db2.gz LJAPXSMCPPLQNY-UHFFFAOYSA-N 1 0 337.384 -2.049 20 0 EAADRO COc1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)sn1 ZINC001152409671 793230065 /nfs/dbraw/zinc/23/00/65/793230065.db2.gz LMOJUASELNWZKE-UHFFFAOYSA-N 1 0 339.381 -1.252 20 0 EAADRO CN(C)c1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)ccn1 ZINC001152409677 793230991 /nfs/dbraw/zinc/23/09/91/793230991.db2.gz LVUZVVXLKUQEPW-UHFFFAOYSA-N 1 0 346.395 -1.256 20 0 EAADRO COc1ncc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)c(C)n1 ZINC001152409971 793230722 /nfs/dbraw/zinc/23/07/22/793230722.db2.gz RDZQYDSOKJXVMB-UHFFFAOYSA-N 1 0 348.367 -1.610 20 0 EAADRO COc1ccnc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)c1 ZINC001152410116 793230857 /nfs/dbraw/zinc/23/08/57/793230857.db2.gz UKNDYTLWRNPQNS-UHFFFAOYSA-N 1 0 333.352 -1.313 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152410124 793231257 /nfs/dbraw/zinc/23/12/57/793231257.db2.gz UVLQRBIZLHIZDN-UHFFFAOYSA-N 1 0 325.373 -2.003 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)Nc2ccccc2)nn1 ZINC001152410136 793231436 /nfs/dbraw/zinc/23/14/36/793231436.db2.gz VITQKBZTRCRRKS-UHFFFAOYSA-N 1 0 345.363 -1.279 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001152410141 791194527 /nfs/dbraw/zinc/19/45/27/791194527.db2.gz VNLVAHJZWAXDIN-UHFFFAOYSA-N 1 0 333.352 -1.313 20 0 EAADRO COc1ncccc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152410160 793230738 /nfs/dbraw/zinc/23/07/38/793230738.db2.gz WGHIZIYWYCTIDX-UHFFFAOYSA-N 1 0 333.352 -1.313 20 0 EAADRO COc1ccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)nn1 ZINC001152410181 793231359 /nfs/dbraw/zinc/23/13/59/793231359.db2.gz WSVGNJWHOJJIIT-UHFFFAOYSA-N 1 0 334.340 -1.918 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152410233 793230247 /nfs/dbraw/zinc/23/02/47/793230247.db2.gz XOONKDLIFLXPOU-UHFFFAOYSA-N 1 0 340.344 -3.072 20 0 EAADRO Cn1ccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)cc1=O ZINC001152410234 793230950 /nfs/dbraw/zinc/23/09/50/793230950.db2.gz XPVJPAGSULQMRN-UHFFFAOYSA-N 1 0 333.352 -2.018 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001152413769 793230773 /nfs/dbraw/zinc/23/07/73/793230773.db2.gz QVKCQHDSINNLKE-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414562 791196534 /nfs/dbraw/zinc/19/65/34/791196534.db2.gz BKBLHKOYPDGWRB-UHFFFAOYSA-N 1 0 325.373 -2.049 20 0 EAADRO CCCCNC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414588 793230665 /nfs/dbraw/zinc/23/06/65/793230665.db2.gz CDXWBZCKJCOQAN-UHFFFAOYSA-N 1 0 325.373 -2.001 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)NCc2ccco2)nn1 ZINC001152414610 793230588 /nfs/dbraw/zinc/23/05/88/793230588.db2.gz DQNBXAOCVLSNHN-UHFFFAOYSA-N 1 0 349.351 -2.008 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152414624 793231091 /nfs/dbraw/zinc/23/10/91/793231091.db2.gz FRYFQGACJKACGS-UHFFFAOYSA-N 1 0 335.372 -2.009 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414627 793230765 /nfs/dbraw/zinc/23/07/65/793230765.db2.gz FZDSAPYBXPKAKD-JTQLQIEISA-N 1 0 344.372 -2.893 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414628 793230364 /nfs/dbraw/zinc/23/03/64/793230364.db2.gz FZDSAPYBXPKAKD-SNVBAGLBSA-N 1 0 344.372 -2.893 20 0 EAADRO CCn1cc(CC[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001152414629 793230209 /nfs/dbraw/zinc/23/02/09/793230209.db2.gz GBMLHUIVNGXODM-UHFFFAOYSA-N 1 0 334.384 -1.458 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)nn1 ZINC001152414635 793230874 /nfs/dbraw/zinc/23/08/74/793230874.db2.gz GIBCOSKBPLZXHF-JTQLQIEISA-N 1 0 337.384 -2.001 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)nn1 ZINC001152414636 793229929 /nfs/dbraw/zinc/22/99/29/793229929.db2.gz GIBCOSKBPLZXHF-SNVBAGLBSA-N 1 0 337.384 -2.001 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)nn1 ZINC001152414646 793230850 /nfs/dbraw/zinc/23/08/50/793230850.db2.gz GUYIXMWMLYYRHP-SSDOTTSWSA-N 1 0 338.290 -1.604 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)nn1 ZINC001152414647 793230800 /nfs/dbraw/zinc/23/08/00/793230800.db2.gz GUYIXMWMLYYRHP-ZETCQYMHSA-N 1 0 338.290 -1.604 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)nn1 ZINC001152414663 793231220 /nfs/dbraw/zinc/23/12/20/793231220.db2.gz HNARZTWWZNVSFQ-UHFFFAOYSA-N 1 0 339.356 -3.058 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414684 793231372 /nfs/dbraw/zinc/23/13/72/793231372.db2.gz ILBLAJMCALXVHB-UHFFFAOYSA-N 1 0 341.372 -2.765 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414691 793230975 /nfs/dbraw/zinc/23/09/75/793230975.db2.gz IODLCQMPCPNBCP-SECBINFHSA-N 1 0 325.373 -2.003 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414692 793231321 /nfs/dbraw/zinc/23/13/21/793231321.db2.gz IODLCQMPCPNBCP-VIFPVBQESA-N 1 0 325.373 -2.003 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414713 791196848 /nfs/dbraw/zinc/19/68/48/791196848.db2.gz JKZQDJWMFIYQQZ-UHFFFAOYSA-N 1 0 340.388 -2.210 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414743 793230099 /nfs/dbraw/zinc/23/00/99/793230099.db2.gz LADZGWSRBZARMG-UHFFFAOYSA-N 1 0 341.372 -2.765 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCn2cc(Cl)cn2)nn1 ZINC001152414749 793231098 /nfs/dbraw/zinc/23/10/98/793231098.db2.gz LFLZFHYDMJDQDD-UHFFFAOYSA-N 1 0 340.775 -1.367 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccc3nonc3c2)nn1 ZINC001152414760 793230287 /nfs/dbraw/zinc/23/02/87/793230287.db2.gz LUPAQOAALSVZTN-UHFFFAOYSA-N 1 0 344.335 -1.181 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001152414779 793230646 /nfs/dbraw/zinc/23/06/46/793230646.db2.gz MSSLKIPFZLZFCN-SECBINFHSA-N 1 0 344.397 -2.483 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001152414780 793230302 /nfs/dbraw/zinc/23/03/02/793230302.db2.gz MSSLKIPFZLZFCN-VIFPVBQESA-N 1 0 344.397 -2.483 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)c2ccccc2)nn1 ZINC001152414785 793230753 /nfs/dbraw/zinc/23/07/53/793230753.db2.gz MWDCSPAVPMFFPW-CYBMUJFWSA-N 1 0 332.364 -1.184 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)NC2CCCC2)nn1 ZINC001152414813 793229999 /nfs/dbraw/zinc/22/99/99/793229999.db2.gz OEZMVNCRJSZUKN-UHFFFAOYSA-N 1 0 337.384 -1.858 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414836 793230544 /nfs/dbraw/zinc/23/05/44/793230544.db2.gz PEJMSHFXKFRSJX-UHFFFAOYSA-N 1 0 339.400 -1.612 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cccc(C(N)=O)c2)nn1 ZINC001152414950 793230128 /nfs/dbraw/zinc/23/01/28/793230128.db2.gz PYCYKEMGOQRNPM-UHFFFAOYSA-N 1 0 345.363 -1.618 20 0 EAADRO Cc1noc(CCC[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152414957 793230657 /nfs/dbraw/zinc/23/06/57/793230657.db2.gz QGBZBYOAFWMEAO-UHFFFAOYSA-N 1 0 336.356 -1.593 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccc(CO)cc2)nn1 ZINC001152414964 793229862 /nfs/dbraw/zinc/22/98/62/793229862.db2.gz QPOUOVFECLHBJJ-UHFFFAOYSA-N 1 0 332.364 -1.225 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152415019 793231343 /nfs/dbraw/zinc/23/13/43/793231343.db2.gz TXENBBCRUQGUJS-UHFFFAOYSA-N 1 0 326.317 -3.462 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152415138 793230029 /nfs/dbraw/zinc/23/00/29/793230029.db2.gz UTWIBHARMRSVIT-UHFFFAOYSA-N 1 0 325.373 -2.050 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@H](O)Cc2ccccc2)nn1 ZINC001152415140 793229990 /nfs/dbraw/zinc/22/99/90/793229990.db2.gz UXDGDAWUFIDSFK-CYBMUJFWSA-N 1 0 346.391 -1.314 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)Cc2ccccc2)nn1 ZINC001152415141 793230018 /nfs/dbraw/zinc/23/00/18/793230018.db2.gz UXDGDAWUFIDSFK-ZDUSSCGKSA-N 1 0 346.391 -1.314 20 0 EAADRO Cc1cnc([C@H](C)[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001152415165 793231308 /nfs/dbraw/zinc/23/13/08/793231308.db2.gz WNZTUSKQBGGBSE-JTQLQIEISA-N 1 0 332.368 -1.058 20 0 EAADRO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001152415166 793231166 /nfs/dbraw/zinc/23/11/66/793231166.db2.gz WNZTUSKQBGGBSE-SNVBAGLBSA-N 1 0 332.368 -1.058 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)S(C)(=O)=O ZINC001152415172 793230220 /nfs/dbraw/zinc/23/02/20/793230220.db2.gz WRLWHKSLJXUMER-UHFFFAOYSA-N 1 0 347.401 -3.026 20 0 EAADRO Cc1cc(C)n(CC[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152415212 793230239 /nfs/dbraw/zinc/23/02/39/793230239.db2.gz YVSYESHGLLHWEY-UHFFFAOYSA-N 1 0 334.384 -1.404 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152415220 793230834 /nfs/dbraw/zinc/23/08/34/793230834.db2.gz ZETIOSFOJXGGLF-JTQLQIEISA-N 1 0 339.400 -1.757 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152415221 793231190 /nfs/dbraw/zinc/23/11/90/793231190.db2.gz ZETIOSFOJXGGLF-SNVBAGLBSA-N 1 0 339.400 -1.757 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420308 793231067 /nfs/dbraw/zinc/23/10/67/793231067.db2.gz AUBGKOCYAGIRJX-JTQLQIEISA-N 1 0 339.400 -1.612 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420310 793230923 /nfs/dbraw/zinc/23/09/23/793230923.db2.gz AUBGKOCYAGIRJX-SNVBAGLBSA-N 1 0 339.400 -1.612 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CCS(C)(=O)=O)nn1 ZINC001152420317 793230415 /nfs/dbraw/zinc/23/04/15/793230415.db2.gz AZVRNSDUZVUGNH-UHFFFAOYSA-N 1 0 346.413 -2.270 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CCn2cccn2)nn1 ZINC001152420336 793229963 /nfs/dbraw/zinc/22/99/63/793229963.db2.gz BGEMYYRUMNLLHO-UHFFFAOYSA-N 1 0 334.384 -1.418 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420370 793231110 /nfs/dbraw/zinc/23/11/10/793231110.db2.gz DBERKWLLCWWJTM-UHFFFAOYSA-N 1 0 325.373 -2.145 20 0 EAADRO CC[C@@H]([NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1)C(N)=O ZINC001152420376 793231193 /nfs/dbraw/zinc/23/11/93/793231193.db2.gz DHXFIOOBSPXQGH-SECBINFHSA-N 1 0 325.373 -2.050 20 0 EAADRO CC[C@H]([NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1)C(N)=O ZINC001152420377 793230882 /nfs/dbraw/zinc/23/08/82/793230882.db2.gz DHXFIOOBSPXQGH-VIFPVBQESA-N 1 0 325.373 -2.050 20 0 EAADRO CCn1nncc1C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420379 793232999 /nfs/dbraw/zinc/23/29/99/793232999.db2.gz DJFOVZSKUQLSMC-UHFFFAOYSA-N 1 0 349.399 -1.503 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420382 793232044 /nfs/dbraw/zinc/23/20/44/793232044.db2.gz DPCOVMNIIJFNEG-UHFFFAOYSA-N 1 0 333.374 -3.368 20 0 EAADRO Cc1cc(C[NH2+]CCNC(=O)c2cn(CC(=O)N(C)C)nn2)ncn1 ZINC001152420385 793231783 /nfs/dbraw/zinc/23/17/83/793231783.db2.gz DZORNYFLLIPZCB-UHFFFAOYSA-N 1 0 346.395 -1.016 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420407 793232064 /nfs/dbraw/zinc/23/20/64/793232064.db2.gz GCJQRUPHBXROQL-LLVKDONJSA-N 1 0 326.401 -1.153 20 0 EAADRO C[C@H](O)CCC[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420408 793232197 /nfs/dbraw/zinc/23/21/97/793232197.db2.gz GCJQRUPHBXROQL-NSHDSACASA-N 1 0 326.401 -1.153 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)NC2CC2)nn1 ZINC001152420410 793232337 /nfs/dbraw/zinc/23/23/37/793232337.db2.gz GEXGNLDEJGOKJZ-UHFFFAOYSA-N 1 0 337.384 -2.036 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)CS(C)(=O)=O ZINC001152420662 793232562 /nfs/dbraw/zinc/23/25/62/793232562.db2.gz GTTGUNPWNRQQOW-SECBINFHSA-N 1 0 346.413 -2.237 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)CS(C)(=O)=O ZINC001152420665 793232110 /nfs/dbraw/zinc/23/21/10/793232110.db2.gz GTTGUNPWNRQQOW-VIFPVBQESA-N 1 0 346.413 -2.237 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC2)nn1 ZINC001152420724 793232704 /nfs/dbraw/zinc/23/27/04/793232704.db2.gz HNXCCJQLLRJLHJ-UHFFFAOYSA-N 1 0 337.384 -2.082 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccnn2C)nn1 ZINC001152420730 793231897 /nfs/dbraw/zinc/23/18/97/793231897.db2.gz HPMSYSVINMCBLE-UHFFFAOYSA-N 1 0 334.384 -1.381 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420732 793231950 /nfs/dbraw/zinc/23/19/50/793231950.db2.gz HUNMGWLTCYSOND-LLVKDONJSA-N 1 0 342.400 -1.884 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420736 793232037 /nfs/dbraw/zinc/23/20/37/793232037.db2.gz HUNMGWLTCYSOND-NSHDSACASA-N 1 0 342.400 -1.884 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)N(C)C ZINC001152420762 793232017 /nfs/dbraw/zinc/23/20/17/793232017.db2.gz ILWIRRLLRXYOSF-JTQLQIEISA-N 1 0 339.400 -1.838 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)N(C)C ZINC001152420763 793233013 /nfs/dbraw/zinc/23/30/13/793233013.db2.gz ILWIRRLLRXYOSF-SNVBAGLBSA-N 1 0 339.400 -1.838 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001152420764 793232122 /nfs/dbraw/zinc/23/21/22/793232122.db2.gz IMJJASCWVZDDGV-JTQLQIEISA-N 1 0 337.384 -1.908 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001152420765 793232004 /nfs/dbraw/zinc/23/20/04/793232004.db2.gz IMJJASCWVZDDGV-SNVBAGLBSA-N 1 0 337.384 -1.908 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CCn2cncn2)nn1 ZINC001152420771 793232054 /nfs/dbraw/zinc/23/20/54/793232054.db2.gz ISBOEEYZTNAFRI-UHFFFAOYSA-N 1 0 335.372 -2.023 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cnnn2C)nn1 ZINC001152420787 793233043 /nfs/dbraw/zinc/23/30/43/793233043.db2.gz JGFCJQHAHHZWEG-UHFFFAOYSA-N 1 0 335.372 -1.986 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420799 793232854 /nfs/dbraw/zinc/23/28/54/793232854.db2.gz JSKWFGKYUWYGHM-UHFFFAOYSA-N 1 0 339.400 -1.836 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)nn1 ZINC001152420806 791201153 /nfs/dbraw/zinc/20/11/53/791201153.db2.gz JYXIUQMIQPTIKV-JTQLQIEISA-N 1 0 337.384 -2.084 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)nn1 ZINC001152420807 791200439 /nfs/dbraw/zinc/20/04/39/791200439.db2.gz JYXIUQMIQPTIKV-SNVBAGLBSA-N 1 0 337.384 -2.084 20 0 EAADRO Cc1ncc(C[NH2+]CCNC(=O)c2cn(CC(=O)N(C)C)nn2)cn1 ZINC001152420813 793232914 /nfs/dbraw/zinc/23/29/14/793232914.db2.gz KFWDAACDDVOEKJ-UHFFFAOYSA-N 1 0 346.395 -1.016 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420814 793232936 /nfs/dbraw/zinc/23/29/36/793232936.db2.gz KHWXHTUMZWDWBN-UHFFFAOYSA-N 1 0 348.411 -1.072 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCO[C@@H]2CC2(F)F)nn1 ZINC001152420815 793232354 /nfs/dbraw/zinc/23/23/54/793232354.db2.gz KJXRQCKPPUDVEU-SECBINFHSA-N 1 0 332.311 -1.493 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCO[C@H]2CC2(F)F)nn1 ZINC001152420816 793233062 /nfs/dbraw/zinc/23/30/62/793233062.db2.gz KJXRQCKPPUDVEU-VIFPVBQESA-N 1 0 332.311 -1.493 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001152420817 793231935 /nfs/dbraw/zinc/23/19/35/793231935.db2.gz KKKNSGSDKHAENT-UHFFFAOYSA-N 1 0 338.328 -3.365 20 0 EAADRO CCCC[C@@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001152420818 793232186 /nfs/dbraw/zinc/23/21/86/793232186.db2.gz KLFKOGUJRDHUPN-SECBINFHSA-N 1 0 325.373 -1.873 20 0 EAADRO CCCC[C@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001152420819 793233024 /nfs/dbraw/zinc/23/30/24/793233024.db2.gz KLFKOGUJRDHUPN-VIFPVBQESA-N 1 0 325.373 -1.873 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420845 793232174 /nfs/dbraw/zinc/23/21/74/793232174.db2.gz KVPSYKJDFYFXMJ-SSDOTTSWSA-N 1 0 340.344 -3.073 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420853 793231853 /nfs/dbraw/zinc/23/18/53/793231853.db2.gz KVPSYKJDFYFXMJ-ZETCQYMHSA-N 1 0 340.344 -3.073 20 0 EAADRO Cc1cnc(C[NH2+]CCNC(=O)c2cn(CC(=O)N(C)C)nn2)cn1 ZINC001152420872 793232407 /nfs/dbraw/zinc/23/24/07/793232407.db2.gz LDPBSYRQWVYOBA-UHFFFAOYSA-N 1 0 346.395 -1.016 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420877 793232288 /nfs/dbraw/zinc/23/22/88/793232288.db2.gz LJJNYIRFEKJDCY-UHFFFAOYSA-N 1 0 346.413 -2.092 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)nn1 ZINC001152420927 791200292 /nfs/dbraw/zinc/20/02/92/791200292.db2.gz MPYBSNIXYSZIGJ-JTQLQIEISA-N 1 0 336.356 -2.660 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)nn1 ZINC001152420929 791201649 /nfs/dbraw/zinc/20/16/49/791201649.db2.gz MPYBSNIXYSZIGJ-SNVBAGLBSA-N 1 0 336.356 -2.660 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CCOCC(F)F)nn1 ZINC001152420942 793232802 /nfs/dbraw/zinc/23/28/02/793232802.db2.gz MZPCJOMCOWZXND-UHFFFAOYSA-N 1 0 348.354 -1.033 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+][C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC001152420987 793232648 /nfs/dbraw/zinc/23/26/48/793232648.db2.gz OQWODSTXEFNXNW-LLVKDONJSA-N 1 0 349.395 -1.764 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+][C@H]2CCN(C3CCC3)C2=O)nn1 ZINC001152420988 793232547 /nfs/dbraw/zinc/23/25/47/793232547.db2.gz OQWODSTXEFNXNW-NSHDSACASA-N 1 0 349.395 -1.764 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421006 793232463 /nfs/dbraw/zinc/23/24/63/793232463.db2.gz PCFXSYJYLBMGNW-UHFFFAOYSA-N 1 0 339.400 -1.612 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421008 793233038 /nfs/dbraw/zinc/23/30/38/793233038.db2.gz PHLNOFXLMHUKRP-UHFFFAOYSA-N 1 0 332.386 -2.483 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+][C@H]2CCCNC2=O)nn1 ZINC001152421088 793232237 /nfs/dbraw/zinc/23/22/37/793232237.db2.gz QMFYYBOLZDHAQX-JTQLQIEISA-N 1 0 337.384 -2.036 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)nn1 ZINC001152421089 793231940 /nfs/dbraw/zinc/23/19/40/793231940.db2.gz QMFYYBOLZDHAQX-SNVBAGLBSA-N 1 0 337.384 -2.036 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C(=O)NC(C)(C)C ZINC001152421090 793232897 /nfs/dbraw/zinc/23/28/97/793232897.db2.gz QOKTUGAEEVUIKT-SECBINFHSA-N 1 0 339.400 -1.614 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C(=O)NC(C)(C)C ZINC001152421091 793232027 /nfs/dbraw/zinc/23/20/27/793232027.db2.gz QOKTUGAEEVUIKT-VIFPVBQESA-N 1 0 339.400 -1.614 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)nn1 ZINC001152421093 793232972 /nfs/dbraw/zinc/23/29/72/793232972.db2.gz QPPJOVOMWRSZJE-UHFFFAOYSA-N 1 0 337.340 -2.768 20 0 EAADRO CCN(C(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001152421097 793233067 /nfs/dbraw/zinc/23/30/67/793233067.db2.gz QXSWIAWHSXIUMX-UHFFFAOYSA-N 1 0 337.384 -1.906 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421104 793232270 /nfs/dbraw/zinc/23/22/70/793232270.db2.gz RBJFVZFROXFDJP-JTQLQIEISA-N 1 0 339.400 -1.660 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421105 793232449 /nfs/dbraw/zinc/23/24/49/793232449.db2.gz RBJFVZFROXFDJP-SNVBAGLBSA-N 1 0 339.400 -1.660 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)Nc2ccon2)nn1 ZINC001152421113 793232763 /nfs/dbraw/zinc/23/27/63/793232763.db2.gz RPFKOXFNKADXHO-UHFFFAOYSA-N 1 0 336.312 -2.291 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)nn1 ZINC001152421125 793232059 /nfs/dbraw/zinc/23/20/59/793232059.db2.gz RZEXUFFJIJQSBF-SECBINFHSA-N 1 0 333.356 -2.138 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)nn1 ZINC001152421126 793232669 /nfs/dbraw/zinc/23/26/69/793232669.db2.gz RZEXUFFJIJQSBF-VIFPVBQESA-N 1 0 333.356 -2.138 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001152421130 793232073 /nfs/dbraw/zinc/23/20/73/793232073.db2.gz SBRBAQBYQUKMQI-SECBINFHSA-N 1 0 337.384 -2.003 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001152421131 793232868 /nfs/dbraw/zinc/23/28/68/793232868.db2.gz SBRBAQBYQUKMQI-VIFPVBQESA-N 1 0 337.384 -2.003 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cnn(C)c2)nn1 ZINC001152421136 793232839 /nfs/dbraw/zinc/23/28/39/793232839.db2.gz SCYHIGNKLJWAKD-UHFFFAOYSA-N 1 0 334.384 -1.381 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421137 793232925 /nfs/dbraw/zinc/23/29/25/793232925.db2.gz SDEUPLQWBWKOPO-JTQLQIEISA-N 1 0 339.400 -1.662 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421138 793233028 /nfs/dbraw/zinc/23/30/28/793233028.db2.gz SDEUPLQWBWKOPO-SNVBAGLBSA-N 1 0 339.400 -1.662 20 0 EAADRO CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421142 793232980 /nfs/dbraw/zinc/23/29/80/793232980.db2.gz SKIZREDIRAOYDZ-UHFFFAOYSA-N 1 0 325.373 -2.178 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)nn1 ZINC001152421143 793232740 /nfs/dbraw/zinc/23/27/40/793232740.db2.gz SKOKRDABYCCGGT-LLVKDONJSA-N 1 0 340.384 -1.722 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)nn1 ZINC001152421144 793232679 /nfs/dbraw/zinc/23/26/79/793232679.db2.gz SKOKRDABYCCGGT-NSHDSACASA-N 1 0 340.384 -1.722 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CCc2cnn(C)c2)nn1 ZINC001152421149 793232639 /nfs/dbraw/zinc/23/26/39/793232639.db2.gz SPVJOHKTMSVCDF-UHFFFAOYSA-N 1 0 348.411 -1.338 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421151 793232319 /nfs/dbraw/zinc/23/23/19/793232319.db2.gz SUWFLYNGMPQFRT-SECBINFHSA-N 1 0 325.373 -2.180 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421152 793233016 /nfs/dbraw/zinc/23/30/16/793233016.db2.gz SUWFLYNGMPQFRT-VIFPVBQESA-N 1 0 325.373 -2.180 20 0 EAADRO CN(C)C(=O)C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421153 791200211 /nfs/dbraw/zinc/20/02/11/791200211.db2.gz SZGAWVGKWZJBON-UHFFFAOYSA-N 1 0 325.373 -2.226 20 0 EAADRO Cc1nccnc1C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421158 791201036 /nfs/dbraw/zinc/20/10/36/791201036.db2.gz TZEHIWOOHUTHTD-UHFFFAOYSA-N 1 0 346.395 -1.016 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cncn2C)nn1 ZINC001152421166 793233010 /nfs/dbraw/zinc/23/30/10/793233010.db2.gz UHZZCQLETBVDTI-UHFFFAOYSA-N 1 0 334.384 -1.381 20 0 EAADRO COCCOCC[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421171 793231917 /nfs/dbraw/zinc/23/19/17/793231917.db2.gz UMZAFTJNPCCLKU-UHFFFAOYSA-N 1 0 342.400 -1.651 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421172 793232427 /nfs/dbraw/zinc/23/24/27/793232427.db2.gz UOAMKIRTBUCYQQ-JTQLQIEISA-N 1 0 339.400 -1.612 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421173 793232387 /nfs/dbraw/zinc/23/23/87/793232387.db2.gz UOAMKIRTBUCYQQ-SNVBAGLBSA-N 1 0 339.400 -1.612 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421176 793231822 /nfs/dbraw/zinc/23/18/22/793231822.db2.gz UPPCFIHZTXBWQC-NXEZZACHSA-N 1 0 339.400 -1.614 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421177 793231925 /nfs/dbraw/zinc/23/19/25/793231925.db2.gz UPPCFIHZTXBWQC-UWVGGRQHSA-N 1 0 339.400 -1.614 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421178 793232686 /nfs/dbraw/zinc/23/26/86/793232686.db2.gz UPPCFIHZTXBWQC-VHSXEESVSA-N 1 0 339.400 -1.614 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421179 793232153 /nfs/dbraw/zinc/23/21/53/793232153.db2.gz UPPCFIHZTXBWQC-ZJUUUORDSA-N 1 0 339.400 -1.614 20 0 EAADRO COC[C@@H](O)C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421197 793232100 /nfs/dbraw/zinc/23/21/00/793232100.db2.gz VJRIVZQPFJPTDW-JTQLQIEISA-N 1 0 328.373 -2.307 20 0 EAADRO COC[C@H](O)C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421198 793231976 /nfs/dbraw/zinc/23/19/76/793231976.db2.gz VJRIVZQPFJPTDW-SNVBAGLBSA-N 1 0 328.373 -2.307 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CCOCCO)nn1 ZINC001152421199 793232534 /nfs/dbraw/zinc/23/25/34/793232534.db2.gz VKDNSIZVHZVVES-UHFFFAOYSA-N 1 0 328.373 -2.305 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)nn1 ZINC001152421215 793234622 /nfs/dbraw/zinc/23/46/22/793234622.db2.gz VWNJOLFBHOWPED-LLVKDONJSA-N 1 0 340.384 -1.722 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)nn1 ZINC001152421216 793235129 /nfs/dbraw/zinc/23/51/29/793235129.db2.gz VWNJOLFBHOWPED-NSHDSACASA-N 1 0 340.384 -1.722 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)nn1 ZINC001152421219 793234547 /nfs/dbraw/zinc/23/45/47/793234547.db2.gz WGCZSFLYZGEABV-UHFFFAOYSA-N 1 0 340.344 -3.119 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCCN2CCCC2=O)nn1 ZINC001152421226 793234048 /nfs/dbraw/zinc/23/40/48/793234048.db2.gz WWFQMOXTWFQGSW-UHFFFAOYSA-N 1 0 337.384 -1.905 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421230 793234184 /nfs/dbraw/zinc/23/41/84/793234184.db2.gz XEWXXTVWOLHEAX-UHFFFAOYSA-N 1 0 339.400 -1.790 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]CCc2ccnn2C)nn1 ZINC001152421236 793235061 /nfs/dbraw/zinc/23/50/61/793235061.db2.gz XKCPOHNWPTTXTL-UHFFFAOYSA-N 1 0 348.411 -1.338 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421237 793233904 /nfs/dbraw/zinc/23/39/04/793233904.db2.gz XMORIWHIZZNHRO-JTQLQIEISA-N 1 0 339.400 -1.757 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421238 793234652 /nfs/dbraw/zinc/23/46/52/793234652.db2.gz XMORIWHIZZNHRO-SNVBAGLBSA-N 1 0 339.400 -1.757 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421241 793234077 /nfs/dbraw/zinc/23/40/77/793234077.db2.gz XQGCOKFOLCUHGM-UHFFFAOYSA-N 1 0 339.400 -1.755 20 0 EAADRO CCCNC(=O)C[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152421264 791200144 /nfs/dbraw/zinc/20/01/44/791200144.db2.gz YWXSZLAVTKOYOV-UHFFFAOYSA-N 1 0 339.400 -1.788 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421276 791199468 /nfs/dbraw/zinc/19/94/68/791199468.db2.gz ZHDWMTTZZIOCEW-SECBINFHSA-N 1 0 325.373 -2.003 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421277 791199691 /nfs/dbraw/zinc/19/96/91/791199691.db2.gz ZHDWMTTZZIOCEW-VIFPVBQESA-N 1 0 325.373 -2.003 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C(=O)NC(N)=O ZINC001152421283 793233585 /nfs/dbraw/zinc/23/35/85/793233585.db2.gz ZJRYISLTBDEKGV-LURJTMIESA-N 1 0 326.317 -3.334 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)C(=O)NC(N)=O ZINC001152421284 793234897 /nfs/dbraw/zinc/23/48/97/793234897.db2.gz ZJRYISLTBDEKGV-ZCFIWIBFSA-N 1 0 326.317 -3.334 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCCCCn2cncn2)nn1 ZINC001152421286 793233785 /nfs/dbraw/zinc/23/37/85/793233785.db2.gz ZOWKEYQPOCDJJW-UHFFFAOYSA-N 1 0 349.399 -1.455 20 0 EAADRO COc1cncc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152421288 793234628 /nfs/dbraw/zinc/23/46/28/793234628.db2.gz ZTTFFLOGVODKHX-UHFFFAOYSA-N 1 0 334.340 -1.918 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]CCOCC(F)(F)F)nn1 ZINC001152421292 793233573 /nfs/dbraw/zinc/23/35/73/793233573.db2.gz ZZBUCIFUALBOPM-UHFFFAOYSA-N 1 0 338.290 -1.338 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421293 793233415 /nfs/dbraw/zinc/23/34/15/793233415.db2.gz ZZCKQAJKQYVDLH-UHFFFAOYSA-N 1 0 347.401 -2.978 20 0 EAADRO CCC(=O)NCC(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O ZINC001152426502 793234810 /nfs/dbraw/zinc/23/48/10/793234810.db2.gz QFNUJQYRWWZMQO-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CNC(=O)Cc1noc(CNCCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152431726 793234939 /nfs/dbraw/zinc/23/49/39/793234939.db2.gz BTQBJDWSXZZOOL-UHFFFAOYSA-N 1 0 326.401 -1.096 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN1CC(F)(F)F ZINC001152458809 791219716 /nfs/dbraw/zinc/21/97/16/791219716.db2.gz UBZAGCZLWZJYDA-MRVPVSSYSA-N 1 0 339.318 -1.086 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC001152458810 791219556 /nfs/dbraw/zinc/21/95/56/791219556.db2.gz UBZAGCZLWZJYDA-QMMMGPOBSA-N 1 0 339.318 -1.086 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCCOCC ZINC001152495453 791237900 /nfs/dbraw/zinc/23/79/00/791237900.db2.gz FJPPGIHMXRDBQS-UHFFFAOYSA-N 1 0 332.401 -1.019 20 0 EAADRO CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152499825 791239214 /nfs/dbraw/zinc/23/92/14/791239214.db2.gz ABELXZDXNGLCHM-LLVKDONJSA-N 1 0 334.442 -1.276 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152499858 793234147 /nfs/dbraw/zinc/23/41/47/793234147.db2.gz BNTJIZOLEZBTFA-NXEZZACHSA-N 1 0 329.401 -1.077 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152499859 793235114 /nfs/dbraw/zinc/23/51/14/793235114.db2.gz BNTJIZOLEZBTFA-ZJUUUORDSA-N 1 0 329.401 -1.077 20 0 EAADRO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152500114 793234133 /nfs/dbraw/zinc/23/41/33/793234133.db2.gz HAIJJXFVGOSMAQ-NEPJUHHUSA-N 1 0 328.413 -1.328 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001152500755 791236631 /nfs/dbraw/zinc/23/66/31/791236631.db2.gz BLRHTRXSBXCWAQ-GFCCVEGCSA-N 1 0 345.396 -1.745 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001152500764 791237751 /nfs/dbraw/zinc/23/77/51/791237751.db2.gz BLRHTRXSBXCWAQ-LBPRGKRZSA-N 1 0 345.396 -1.745 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152500816 791239284 /nfs/dbraw/zinc/23/92/84/791239284.db2.gz CKQNDGRVBVVOQA-UHFFFAOYSA-N 1 0 325.431 -1.363 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152501135 791239830 /nfs/dbraw/zinc/23/98/30/791239830.db2.gz FEQVEPSIJZDNIW-UHFFFAOYSA-N 1 0 330.385 -1.313 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152501172 793233662 /nfs/dbraw/zinc/23/36/62/793233662.db2.gz GLDIJASXAOTUBR-UHFFFAOYSA-N 1 0 330.385 -1.267 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152501220 791239363 /nfs/dbraw/zinc/23/93/63/791239363.db2.gz IQXUQPOKMBEUSO-UHFFFAOYSA-N 1 0 330.385 -2.296 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152501485 793234642 /nfs/dbraw/zinc/23/46/42/793234642.db2.gz MCOAYFUOCLYRPB-UHFFFAOYSA-N 1 0 337.442 -1.219 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001152501509 793234418 /nfs/dbraw/zinc/23/44/18/793234418.db2.gz MZZIQSZLNOQBOL-UHFFFAOYSA-N 1 0 325.431 -1.315 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001152501759 791238524 /nfs/dbraw/zinc/23/85/24/791238524.db2.gz NPFDEYIFKAUSJV-CYBMUJFWSA-N 1 0 331.413 -1.007 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001152501765 791241196 /nfs/dbraw/zinc/24/11/96/791241196.db2.gz NPFDEYIFKAUSJV-ZDUSSCGKSA-N 1 0 331.413 -1.007 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152502349 793233374 /nfs/dbraw/zinc/23/33/74/793233374.db2.gz XJAKBVRERXPYST-ZDUSSCGKSA-N 1 0 331.413 -1.271 20 0 EAADRO CC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)CNC(=O)CC(N)=O ZINC001152506611 793234237 /nfs/dbraw/zinc/23/42/37/793234237.db2.gz DNIKXGPQSBXBTI-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO CC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)CNC(=O)CC(N)=O ZINC001152506612 793234323 /nfs/dbraw/zinc/23/43/23/793234323.db2.gz DNIKXGPQSBXBTI-VXGBXAGGSA-N 1 0 348.469 -1.030 20 0 EAADRO CC[N@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152506615 793234114 /nfs/dbraw/zinc/23/41/14/793234114.db2.gz DSLXOCQUWQBGHR-SNVBAGLBSA-N 1 0 327.385 -1.370 20 0 EAADRO CC[N@H+](CCCS(=O)(=O)N(C)C)[C@H](C)CNC(=O)CC(N)=O ZINC001152506773 793233959 /nfs/dbraw/zinc/23/39/59/793233959.db2.gz HZHDSPGFYKNOPD-LLVKDONJSA-N 1 0 336.458 -1.030 20 0 EAADRO CC[N@H+](C[C@@H](O)CN1C(=O)CCC1=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152506800 791241132 /nfs/dbraw/zinc/24/11/32/791241132.db2.gz JXEUPKADZOLQQR-GHMZBOCLSA-N 1 0 342.396 -1.802 20 0 EAADRO CC[N@H+](C[C@H](O)CN1C(=O)CCC1=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152506801 791241705 /nfs/dbraw/zinc/24/17/05/791241705.db2.gz JXEUPKADZOLQQR-MNOVXSKESA-N 1 0 342.396 -1.802 20 0 EAADRO CC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)[C@H](C)CNC(=O)CC(N)=O ZINC001152507303 793234663 /nfs/dbraw/zinc/23/46/63/793234663.db2.gz YQEQSWPLUWEQBS-SNVBAGLBSA-N 1 0 339.396 -1.714 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152507555 791242044 /nfs/dbraw/zinc/24/20/44/791242044.db2.gz ALRTUWYCTSDQND-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152507556 791240902 /nfs/dbraw/zinc/24/09/02/791240902.db2.gz ALRTUWYCTSDQND-LBPRGKRZSA-N 1 0 348.469 -1.158 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/nfs/dbraw/zinc/23/62/17/793236217.db2.gz YNAOMLFRWBBBCQ-LLVKDONJSA-N 1 0 334.442 -1.548 20 0 EAADRO CN(CC[NH2+]CCNC(=O)[C@H]1CCC(=O)N(C)C1)S(C)(=O)=O ZINC001152523635 793235562 /nfs/dbraw/zinc/23/55/62/793235562.db2.gz YNAOMLFRWBBBCQ-NSHDSACASA-N 1 0 334.442 -1.548 20 0 EAADRO CN1C[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CCC1=O ZINC001152523645 793236352 /nfs/dbraw/zinc/23/63/52/793236352.db2.gz YUMLECNSINHKSQ-GFCCVEGCSA-N 1 0 346.453 -1.404 20 0 EAADRO CN1C[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CCC1=O ZINC001152523647 793235705 /nfs/dbraw/zinc/23/57/05/793235705.db2.gz YUMLECNSINHKSQ-LBPRGKRZSA-N 1 0 346.453 -1.404 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001152542201 791253903 /nfs/dbraw/zinc/25/39/03/791253903.db2.gz CBGZNZJFUODBRZ-GFCCVEGCSA-N 1 0 346.428 -1.662 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001152542208 791252799 /nfs/dbraw/zinc/25/27/99/791252799.db2.gz CBGZNZJFUODBRZ-LBPRGKRZSA-N 1 0 346.428 -1.662 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001152542362 793235910 /nfs/dbraw/zinc/23/59/10/793235910.db2.gz DXSIOIZKYSUJAM-UHFFFAOYSA-N 1 0 342.396 -1.657 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001152542994 793236479 /nfs/dbraw/zinc/23/64/79/793236479.db2.gz ZZKIRNVVUYMKHH-CYBMUJFWSA-N 1 0 331.413 -1.102 20 0 EAADRO CCOCCOCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001152542995 793236323 /nfs/dbraw/zinc/23/63/23/793236323.db2.gz ZZKIRNVVUYMKHH-ZDUSSCGKSA-N 1 0 331.413 -1.102 20 0 EAADRO Cc1nn(C)c2nc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)ccc12 ZINC001152553739 793236380 /nfs/dbraw/zinc/23/63/80/793236380.db2.gz MAPKYTDFMTVHRH-UHFFFAOYSA-N 1 0 333.352 -1.209 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCCOCC ZINC001152565252 793235579 /nfs/dbraw/zinc/23/55/79/793235579.db2.gz VSJIEBANCPPQHB-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCCOCC ZINC001152565253 791259459 /nfs/dbraw/zinc/25/94/59/791259459.db2.gz VSJIEBANCPPQHB-NSHDSACASA-N 1 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/nfs/dbraw/zinc/27/19/32/791271932.db2.gz DVSJDFBGUBLORS-SNVBAGLBSA-N 1 0 343.471 -1.736 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152608904 791271886 /nfs/dbraw/zinc/27/18/86/791271886.db2.gz FNVIVRHCCJMRBV-JTQLQIEISA-N 1 0 343.409 -1.198 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152608905 791272140 /nfs/dbraw/zinc/27/21/40/791272140.db2.gz FNVIVRHCCJMRBV-SNVBAGLBSA-N 1 0 343.409 -1.198 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001152609143 791272678 /nfs/dbraw/zinc/27/26/78/791272678.db2.gz GEERMKXPFBIJSW-GHMZBOCLSA-N 1 0 340.467 -1.192 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001152609144 791272758 /nfs/dbraw/zinc/27/27/58/791272758.db2.gz GEERMKXPFBIJSW-MNOVXSKESA-N 1 0 340.467 -1.192 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001152609147 791271824 /nfs/dbraw/zinc/27/18/24/791271824.db2.gz GEERMKXPFBIJSW-QWRGUYRKSA-N 1 0 340.467 -1.192 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001152609149 791271174 /nfs/dbraw/zinc/27/11/74/791271174.db2.gz GEERMKXPFBIJSW-WDEREUQCSA-N 1 0 340.467 -1.192 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152609693 791274773 /nfs/dbraw/zinc/27/47/73/791274773.db2.gz KXGDZEWIWMBYNB-NSHDSACASA-N 1 0 337.442 -1.474 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152609771 791273852 /nfs/dbraw/zinc/27/38/52/791273852.db2.gz LMJCPMGFBGGIDN-LLVKDONJSA-N 1 0 349.453 -1.332 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152609772 791273832 /nfs/dbraw/zinc/27/38/32/791273832.db2.gz LMJCPMGFBGGIDN-NSHDSACASA-N 1 0 349.453 -1.332 20 0 EAADRO CCCCS(=O)(=O)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152610267 791274037 /nfs/dbraw/zinc/27/40/37/791274037.db2.gz QLPLMWRHBLSBRB-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001152610786 791273321 /nfs/dbraw/zinc/27/33/21/791273321.db2.gz XHLWVTANIDIUJS-LLVKDONJSA-N 1 0 337.442 -1.474 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152610787 791273346 /nfs/dbraw/zinc/27/33/46/791273346.db2.gz XHLWVTANIDIUJS-NSHDSACASA-N 1 0 337.442 -1.474 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152617540 791273955 /nfs/dbraw/zinc/27/39/55/791273955.db2.gz ACDUNDLYKNBOEY-SECBINFHSA-N 1 0 334.398 -2.075 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152617541 791273808 /nfs/dbraw/zinc/27/38/08/791273808.db2.gz ACDUNDLYKNBOEY-VIFPVBQESA-N 1 0 334.398 -2.075 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H](c1cccnc1)N(C)C)C(=O)NC(N)=O ZINC001152617938 793237793 /nfs/dbraw/zinc/23/77/93/793237793.db2.gz GCOLNMRBPFCLPM-PWSUYJOCSA-N 1 0 336.396 -1.027 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)NC(N)=O ZINC001152617939 793236872 /nfs/dbraw/zinc/23/68/72/793236872.db2.gz GCOLNMRBPFCLPM-ZYHUDNBSSA-N 1 0 336.396 -1.027 20 0 EAADRO CN(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cccnc1 ZINC001152618375 793237821 /nfs/dbraw/zinc/23/78/21/793237821.db2.gz LZRWMJNDEPDRAP-AWEZNQCLSA-N 1 0 348.407 -1.058 20 0 EAADRO CN(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cccnc1 ZINC001152618376 793237337 /nfs/dbraw/zinc/23/73/37/793237337.db2.gz LZRWMJNDEPDRAP-CQSZACIVSA-N 1 0 348.407 -1.058 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001152618508 793237773 /nfs/dbraw/zinc/23/77/73/793237773.db2.gz OSLJGVQLZVNUIE-NEPJUHHUSA-N 1 0 340.442 -1.603 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152618510 793238411 /nfs/dbraw/zinc/23/84/11/793238411.db2.gz OSLJGVQLZVNUIE-NWDGAFQWSA-N 1 0 340.442 -1.603 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152618511 793237976 /nfs/dbraw/zinc/23/79/76/793237976.db2.gz OSLJGVQLZVNUIE-RYUDHWBXSA-N 1 0 340.442 -1.603 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001152618513 793237710 /nfs/dbraw/zinc/23/77/10/793237710.db2.gz OSLJGVQLZVNUIE-VXGBXAGGSA-N 1 0 340.442 -1.603 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001152619045 793236929 /nfs/dbraw/zinc/23/69/29/793236929.db2.gz VFXKWIAGZJKRDF-JTQLQIEISA-N 1 0 328.456 -1.192 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001152619046 793238020 /nfs/dbraw/zinc/23/80/20/793238020.db2.gz VFXKWIAGZJKRDF-SNVBAGLBSA-N 1 0 328.456 -1.192 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)N(C)C ZINC001152619146 791274103 /nfs/dbraw/zinc/27/41/03/791274103.db2.gz XLBPHNVWLZYKGU-CYBMUJFWSA-N 1 0 336.396 -1.154 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](c1cccnc1)N(C)C ZINC001152619147 791273907 /nfs/dbraw/zinc/27/39/07/791273907.db2.gz XLBPHNVWLZYKGU-ZDUSSCGKSA-N 1 0 336.396 -1.154 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152619184 793238224 /nfs/dbraw/zinc/23/82/24/793238224.db2.gz YIOZTHJWAZWLLQ-JTQLQIEISA-N 1 0 348.425 -1.685 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152619185 793238316 /nfs/dbraw/zinc/23/83/16/793238316.db2.gz YIOZTHJWAZWLLQ-SNVBAGLBSA-N 1 0 348.425 -1.685 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001152619214 793238373 /nfs/dbraw/zinc/23/83/73/793238373.db2.gz ZEZRULAZEAVTHO-NEPJUHHUSA-N 1 0 349.453 -1.380 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001152619215 793237041 /nfs/dbraw/zinc/23/70/41/793237041.db2.gz ZEZRULAZEAVTHO-NWDGAFQWSA-N 1 0 349.453 -1.380 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001152619216 793238333 /nfs/dbraw/zinc/23/83/33/793238333.db2.gz ZEZRULAZEAVTHO-RYUDHWBXSA-N 1 0 349.453 -1.380 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001152619217 793238390 /nfs/dbraw/zinc/23/83/90/793238390.db2.gz ZEZRULAZEAVTHO-VXGBXAGGSA-N 1 0 349.453 -1.380 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001152625963 791277226 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CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001152626672 793236836 /nfs/dbraw/zinc/23/68/36/793236836.db2.gz NSAYDPRANMXKLT-BDAKNGLRSA-N 1 0 336.414 -1.783 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152626674 793237162 /nfs/dbraw/zinc/23/71/62/793237162.db2.gz NSAYDPRANMXKLT-DTWKUNHWSA-N 1 0 336.414 -1.783 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152626760 793237584 /nfs/dbraw/zinc/23/75/84/793237584.db2.gz NSAYDPRANMXKLT-IUCAKERBSA-N 1 0 336.414 -1.783 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001152626764 793237005 /nfs/dbraw/zinc/23/70/05/793237005.db2.gz NSAYDPRANMXKLT-RKDXNWHRSA-N 1 0 336.414 -1.783 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001152626906 791277135 /nfs/dbraw/zinc/27/71/35/791277135.db2.gz POSVAIGNEUHCDG-JTQLQIEISA-N 1 0 343.471 -1.688 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001152626907 791278523 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Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)n(C)c1=O ZINC001152699137 793238345 /nfs/dbraw/zinc/23/83/45/793238345.db2.gz NRMHASJINIYGJZ-LLVKDONJSA-N 1 0 339.396 -1.662 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)n(C)c1=O ZINC001152699138 793237177 /nfs/dbraw/zinc/23/71/77/793237177.db2.gz NRMHASJINIYGJZ-NSHDSACASA-N 1 0 339.396 -1.662 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)n(C)c1=O ZINC001152699180 793238261 /nfs/dbraw/zinc/23/82/61/793238261.db2.gz PTRQTRFOFSJPKJ-UHFFFAOYSA-N 1 0 338.368 -1.969 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152699199 793238401 /nfs/dbraw/zinc/23/84/01/793238401.db2.gz QOPYXYLQLPAWQX-UHFFFAOYSA-N 1 0 327.385 -1.804 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)n(C)c1=O ZINC001152699222 793237701 /nfs/dbraw/zinc/23/77/01/793237701.db2.gz RRUQXIGAWCFYOQ-UHFFFAOYSA-N 1 0 344.437 -1.132 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152699254 793238295 /nfs/dbraw/zinc/23/82/95/793238295.db2.gz 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C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)n1C)C(=O)Nc1ncccn1 ZINC001152699324 793238303 /nfs/dbraw/zinc/23/83/03/793238303.db2.gz WTXGIWJRLKSCOS-JTQLQIEISA-N 1 0 347.379 -1.140 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)n1C)C(=O)Nc1ncccn1 ZINC001152699325 793238073 /nfs/dbraw/zinc/23/80/73/793238073.db2.gz WTXGIWJRLKSCOS-SNVBAGLBSA-N 1 0 347.379 -1.140 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)n(C)c1=O ZINC001152699351 791297499 /nfs/dbraw/zinc/29/74/99/791297499.db2.gz YCUKHUMFRLVURL-UHFFFAOYSA-N 1 0 325.369 -2.098 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCc2ccco2)n(C)c1=O ZINC001152699352 791298916 /nfs/dbraw/zinc/29/89/16/791298916.db2.gz YEVQSSJRSKZSPO-UHFFFAOYSA-N 1 0 335.364 -1.047 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)n(C)c1=O ZINC001152699384 791298297 /nfs/dbraw/zinc/29/82/97/791298297.db2.gz ZPQWBUTZAQMBSR-NSHDSACASA-N 1 0 339.396 -1.974 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)n(C)c1=O ZINC001152711839 791306868 /nfs/dbraw/zinc/30/68/68/791306868.db2.gz 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ZINC001152716060 791309166 /nfs/dbraw/zinc/30/91/66/791309166.db2.gz AWVXLURPXBPBRF-JTQLQIEISA-N 1 0 332.426 -1.276 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)c1cn(C)c(=O)n1C)CS(C)(=O)=O ZINC001152716071 791309256 /nfs/dbraw/zinc/30/92/56/791309256.db2.gz AWVXLURPXBPBRF-SNVBAGLBSA-N 1 0 332.426 -1.276 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)c2cn(C)c(=O)n2C)n(C)n1 ZINC001152716293 791309060 /nfs/dbraw/zinc/30/90/60/791309060.db2.gz ITMQNZPNKXRQEU-UHFFFAOYSA-N 1 0 349.395 -1.276 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)n(C)c1=O ZINC001152716332 793237505 /nfs/dbraw/zinc/23/75/05/793237505.db2.gz KSGBCYWJTBEBTI-LLVKDONJSA-N 1 0 339.396 -1.804 20 0 EAADRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)n(C)c1=O ZINC001152716333 793237652 /nfs/dbraw/zinc/23/76/52/793237652.db2.gz KSGBCYWJTBEBTI-NSHDSACASA-N 1 0 339.396 -1.804 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152716362 791308485 /nfs/dbraw/zinc/30/84/85/791308485.db2.gz MFRALBKRCWAFAQ-MRVPVSSYSA-N 1 0 326.357 -2.113 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152716363 791309485 /nfs/dbraw/zinc/30/94/85/791309485.db2.gz MFRALBKRCWAFAQ-QMMMGPOBSA-N 1 0 326.357 -2.113 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152716381 793239707 /nfs/dbraw/zinc/23/97/07/793239707.db2.gz NBWMXPQRXDTTOA-UHFFFAOYSA-N 1 0 332.426 -1.132 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152716821 793239901 /nfs/dbraw/zinc/23/99/01/793239901.db2.gz USGMRFYPPKJSGO-LLVKDONJSA-N 1 0 341.412 -1.416 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152716822 793239121 /nfs/dbraw/zinc/23/91/21/793239121.db2.gz USGMRFYPPKJSGO-NSHDSACASA-N 1 0 341.412 -1.416 20 0 EAADRO Cn1nnc2c(C(=O)n3ccc([C@H]4CCC[NH2+]4)nc3=N)ncn2c1=O ZINC001152751538 793238955 /nfs/dbraw/zinc/23/89/55/793238955.db2.gz SBSXWSVEHHBUGK-MRVPVSSYSA-N 1 0 341.335 -1.388 20 0 EAADRO Cn1nnc2c(C(=O)n3ccc([C@@H]4CCC[NH2+]4)nc3=N)ncn2c1=O ZINC001152751544 793240127 /nfs/dbraw/zinc/24/01/27/793240127.db2.gz SBSXWSVEHHBUGK-QMMMGPOBSA-N 1 0 341.335 -1.388 20 0 EAADRO Cn1nnc2c(C(=O)N(c3ncccn3)C3C[NH2+]C3)ncn2c1=O ZINC001152751745 793239762 /nfs/dbraw/zinc/23/97/62/793239762.db2.gz SVVSHMGZVMMKLR-UHFFFAOYSA-N 1 0 327.308 -1.768 20 0 EAADRO Cn1nnc2c(C(=O)N3CCO[C@H](C[NH+]4CCCC4)C3)ncn2c1=O ZINC001152754444 793239391 /nfs/dbraw/zinc/23/93/91/793239391.db2.gz RNKWRHSHQPNUGF-LLVKDONJSA-N 1 0 347.379 -1.240 20 0 EAADRO Cn1nnc2c(C(=O)N3CCO[C@@H](C[NH+]4CCCC4)C3)ncn2c1=O ZINC001152754445 793238921 /nfs/dbraw/zinc/23/89/21/793238921.db2.gz RNKWRHSHQPNUGF-NSHDSACASA-N 1 0 347.379 -1.240 20 0 EAADRO Cn1nnc2c(C(=O)N3CC([N@H+](C)[C@H]4CCOC4)C3)ncn2c1=O ZINC001152754906 793240971 /nfs/dbraw/zinc/24/09/71/793240971.db2.gz WUBIUEYXNVZZGS-VIFPVBQESA-N 1 0 333.352 -1.632 20 0 EAADRO Cn1nnc2c(C(=O)n3c(=N)sc4c3CC[C@H]([NH3+])C4)ncn2c1=O ZINC001152755452 793241014 /nfs/dbraw/zinc/24/10/14/793241014.db2.gz KXBRYNSTCANXBY-LURJTMIESA-N 1 0 346.376 -1.330 20 0 EAADRO Cn1nnc2c(C(=O)NCCN(CC[NH3+])N(O)N=O)ncn2c1=O ZINC001152758938 793241287 /nfs/dbraw/zinc/24/12/87/793241287.db2.gz BRXXVDIXAVSVIV-UHFFFAOYSA-N 1 0 340.304 -2.899 20 0 EAADRO Cn1nnc2c(C(=O)NCCN3CCC[N@H+](C)CC3)ncn2c1=O ZINC001152760340 793241765 /nfs/dbraw/zinc/24/17/65/793241765.db2.gz VWFWVRKGBKNBJD-UHFFFAOYSA-N 1 0 334.384 -1.810 20 0 EAADRO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ncn2c1nnn(C)c2=O ZINC001152761891 793241396 /nfs/dbraw/zinc/24/13/96/793241396.db2.gz KGIRPNPSYNVKQT-UHFFFAOYSA-N 1 0 335.372 -1.500 20 0 EAADRO Cn1nnc2c(C(=O)N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)ncn2c1=O ZINC001152761948 793240964 /nfs/dbraw/zinc/24/09/64/793240964.db2.gz NBFNNLGAKOODGV-MGCOHNPYSA-N 1 0 347.379 -1.066 20 0 EAADRO COCCC1([NH3+])CCN(C(=O)c2ncn3c2nnn(C)c3=O)CC1 ZINC001152763084 793241414 /nfs/dbraw/zinc/24/14/14/793241414.db2.gz YSMHISZLTATJOI-UHFFFAOYSA-N 1 0 335.368 -1.207 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152769122 793241523 /nfs/dbraw/zinc/24/15/23/793241523.db2.gz 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ZINC001152777378 791325440 /nfs/dbraw/zinc/32/54/40/791325440.db2.gz JLVXVPWPIHMFCR-CYBMUJFWSA-N 1 0 346.453 -1.261 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152777389 791326368 /nfs/dbraw/zinc/32/63/68/791326368.db2.gz JUXHJLZEXITISY-CYBMUJFWSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152777669 793241745 /nfs/dbraw/zinc/24/17/45/793241745.db2.gz PHDOAZVNALMVNW-GFCCVEGCSA-N 1 0 339.396 -1.309 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152777966 793240832 /nfs/dbraw/zinc/24/08/32/793240832.db2.gz VDBIJZBBZBMKJE-GFCCVEGCSA-N 1 0 339.396 -2.339 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001152777985 793241564 /nfs/dbraw/zinc/24/15/64/793241564.db2.gz VUVKJSJYNDWTHP-UONOGXRCSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001152777986 793241084 /nfs/dbraw/zinc/24/10/84/793241084.db2.gz VUVKJSJYNDWTHP-ZIAGYGMSSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152788993 793243164 /nfs/dbraw/zinc/24/31/64/793243164.db2.gz JATYOYXRMWEZLF-UONOGXRCSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152789209 793242694 /nfs/dbraw/zinc/24/26/94/793242694.db2.gz KLARGINEUNJPRC-LLVKDONJSA-N 1 0 325.369 -1.745 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001152789729 793243227 /nfs/dbraw/zinc/24/32/27/793243227.db2.gz OUXNRDRPWKZXIT-GXTWGEPZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001152789731 793243266 /nfs/dbraw/zinc/24/32/66/793243266.db2.gz OUXNRDRPWKZXIT-TZMCWYRMSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152789733 793243586 /nfs/dbraw/zinc/24/35/86/793243586.db2.gz OVUNWHNTCQOIFO-CQSZACIVSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001152789832 791330661 /nfs/dbraw/zinc/33/06/61/791330661.db2.gz QCZQWPSCRCEPAS-UONOGXRCSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001152789834 791332487 /nfs/dbraw/zinc/33/24/87/791332487.db2.gz QCZQWPSCRCEPAS-ZIAGYGMSSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152809501 793242532 /nfs/dbraw/zinc/24/25/32/793242532.db2.gz IYJWZDJXYZBAPO-CQSZACIVSA-N 1 0 340.424 -1.002 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152809516 793243151 /nfs/dbraw/zinc/24/31/51/793243151.db2.gz JQHMXHZFXBXUPV-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152809568 793242812 /nfs/dbraw/zinc/24/28/12/793242812.db2.gz MHRLKJANDOXRMN-CMPLNLGQSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152809569 793243438 /nfs/dbraw/zinc/24/34/38/793243438.db2.gz MHRLKJANDOXRMN-ZYHUDNBSSA-N 1 0 341.412 -1.063 20 0 EAADRO CN(C)c1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nc1 ZINC001152817623 793242356 /nfs/dbraw/zinc/24/23/56/793242356.db2.gz XFGCUDSPCZCNCR-UHFFFAOYSA-N 1 0 348.407 -1.575 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)n1 ZINC001152847953 793242796 /nfs/dbraw/zinc/24/27/96/793242796.db2.gz DHNQMXLYMUXMCR-UHFFFAOYSA-N 1 0 349.391 -1.205 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)n1 ZINC001152848281 793242597 /nfs/dbraw/zinc/24/25/97/793242597.db2.gz IDPSWSYKNHQJCT-NSHDSACASA-N 1 0 349.391 -1.517 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)n1 ZINC001152848511 793243127 /nfs/dbraw/zinc/24/31/27/793243127.db2.gz KDQZROGSIMWQTM-UHFFFAOYSA-N 1 0 348.363 -1.512 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152848603 793243280 /nfs/dbraw/zinc/24/32/80/793243280.db2.gz NGQJVAAUYWAXHW-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1cccc(C(N)=O)n1)S(C)(=O)=O ZINC001152848990 791352128 /nfs/dbraw/zinc/35/21/28/791352128.db2.gz RHEKQYHNHGYXNH-UHFFFAOYSA-N 1 0 343.409 -1.609 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152849008 793243091 /nfs/dbraw/zinc/24/30/91/793243091.db2.gz SAAQGMVBPQCOSE-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001152849011 793242408 /nfs/dbraw/zinc/24/24/08/793242408.db2.gz SDFLLVPSXSPNPH-UHFFFAOYSA-N 1 0 348.363 -2.542 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)n1 ZINC001152849227 793242756 /nfs/dbraw/zinc/24/27/56/793242756.db2.gz VCUKGMLCYGQRRC-LLVKDONJSA-N 1 0 349.391 -1.205 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)n1 ZINC001152849229 793242338 /nfs/dbraw/zinc/24/23/38/793242338.db2.gz VCUKGMLCYGQRRC-NSHDSACASA-N 1 0 349.391 -1.205 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)n1 ZINC001152849261 793242393 /nfs/dbraw/zinc/24/23/93/793242393.db2.gz VORGXTKNBVIXTN-UHFFFAOYSA-N 1 0 349.376 -1.010 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)n1 ZINC001152849283 793243543 /nfs/dbraw/zinc/24/35/43/793243543.db2.gz VZQXCCWRQJDLGU-UHFFFAOYSA-N 1 0 343.347 -1.071 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152849342 793243564 /nfs/dbraw/zinc/24/35/64/793243564.db2.gz XHRBRIPXVCNGSM-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)n1 ZINC001152849355 793242452 /nfs/dbraw/zinc/24/24/52/793242452.db2.gz YBZPYXQMRFOLIK-UHFFFAOYSA-N 1 0 335.364 -1.641 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)n1 ZINC001152855739 793243426 /nfs/dbraw/zinc/24/34/26/793243426.db2.gz DCXQBMWFBBIXBZ-LLVKDONJSA-N 1 0 349.391 -1.347 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)n1 ZINC001152855740 793242239 /nfs/dbraw/zinc/24/22/39/793242239.db2.gz DCXQBMWFBBIXBZ-NSHDSACASA-N 1 0 349.391 -1.347 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152856068 793243514 /nfs/dbraw/zinc/24/35/14/793243514.db2.gz DRNNNFNDCHNUCZ-LLVKDONJSA-N 1 0 340.380 -1.476 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152856070 793243506 /nfs/dbraw/zinc/24/35/06/793243506.db2.gz DRNNNFNDCHNUCZ-NSHDSACASA-N 1 0 340.380 -1.476 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)n1 ZINC001152856071 793242292 /nfs/dbraw/zinc/24/22/92/793242292.db2.gz DTTWLKZEZJTVLJ-UHFFFAOYSA-N 1 0 348.363 -1.558 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152856220 793243393 /nfs/dbraw/zinc/24/33/93/793243393.db2.gz HGNPNSZPHMNGGX-UHFFFAOYSA-N 1 0 328.394 -1.065 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001152856521 793243257 /nfs/dbraw/zinc/24/32/57/793243257.db2.gz KQULTBOBMVHNHV-UHFFFAOYSA-N 1 0 334.336 -1.948 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)n1 ZINC001152856528 793243144 /nfs/dbraw/zinc/24/31/44/793243144.db2.gz LGXGPUDDQZWQBA-LLVKDONJSA-N 1 0 332.364 -1.243 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)n1 ZINC001152856529 793242909 /nfs/dbraw/zinc/24/29/09/793242909.db2.gz LGXGPUDDQZWQBA-NSHDSACASA-N 1 0 332.364 -1.243 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152856566 791359355 /nfs/dbraw/zinc/35/93/55/791359355.db2.gz NBGMMDSATUSUHQ-MRVPVSSYSA-N 1 0 336.352 -1.656 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152856567 791358886 /nfs/dbraw/zinc/35/88/86/791358886.db2.gz NBGMMDSATUSUHQ-QMMMGPOBSA-N 1 0 336.352 -1.656 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152857035 793242470 /nfs/dbraw/zinc/24/24/70/793242470.db2.gz QWGUUNWHPZWSFR-UHFFFAOYSA-N 1 0 343.409 -1.561 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001152857047 793243033 /nfs/dbraw/zinc/24/30/33/793243033.db2.gz QYYPSEITBMXQKY-UHFFFAOYSA-N 1 0 333.348 -1.351 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152857423 793243365 /nfs/dbraw/zinc/24/33/65/793243365.db2.gz UCDSFAGGZGVSOU-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152857768 793242941 /nfs/dbraw/zinc/24/29/41/793242941.db2.gz XTOBHQHQVNHEOM-UHFFFAOYSA-N 1 0 329.382 -1.951 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001152857791 793243220 /nfs/dbraw/zinc/24/32/20/793243220.db2.gz YIDOISXRHCNJSO-JTQLQIEISA-N 1 0 340.405 -1.065 20 0 EAADRO NC(=O)c1cccc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)n1 ZINC001152857794 793242515 /nfs/dbraw/zinc/24/25/15/793242515.db2.gz YIDOISXRHCNJSO-SNVBAGLBSA-N 1 0 340.405 -1.065 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cccc(C(N)=O)n2)CCO1 ZINC001152857849 793242680 /nfs/dbraw/zinc/24/26/80/793242680.db2.gz ZKBSDOSNRWTSPR-LLVKDONJSA-N 1 0 349.391 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cccc(C(N)=O)n2)CCO1 ZINC001152857851 793242777 /nfs/dbraw/zinc/24/27/77/793242777.db2.gz ZKBSDOSNRWTSPR-NSHDSACASA-N 1 0 349.391 -1.253 20 0 EAADRO CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152873381 793242568 /nfs/dbraw/zinc/24/25/68/793242568.db2.gz LGXBPBPLQWUFQK-LLVKDONJSA-N 1 0 339.400 -1.165 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O ZINC001152882550 791367850 /nfs/dbraw/zinc/36/78/50/791367850.db2.gz ASSQULUQAJDBOS-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001152892592 793242730 /nfs/dbraw/zinc/24/27/30/793242730.db2.gz FROQSCXCRLKHCC-AWEZNQCLSA-N 1 0 329.401 -1.301 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001152892593 793243246 /nfs/dbraw/zinc/24/32/46/793243246.db2.gz FROQSCXCRLKHCC-CQSZACIVSA-N 1 0 329.401 -1.301 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001152899140 793242631 /nfs/dbraw/zinc/24/26/31/793242631.db2.gz OOMANYCQSLONJI-LKFCYVNXSA-N 1 0 329.401 -1.174 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C(C)C ZINC001152899141 793245059 /nfs/dbraw/zinc/24/50/59/793245059.db2.gz OOMANYCQSLONJI-OTYXRUKQSA-N 1 0 329.401 -1.174 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001152899142 793244851 /nfs/dbraw/zinc/24/48/51/793244851.db2.gz OOMANYCQSLONJI-XPTSAGLGSA-N 1 0 329.401 -1.174 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C(C)C ZINC001152899143 793245208 /nfs/dbraw/zinc/24/52/08/793245208.db2.gz OOMANYCQSLONJI-YMTOWFKASA-N 1 0 329.401 -1.174 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001152899190 793244287 /nfs/dbraw/zinc/24/42/87/793244287.db2.gz QGFSRISHIWDSEP-HNNXBMFYSA-N 1 0 341.412 -1.205 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001152899191 793244230 /nfs/dbraw/zinc/24/42/30/793244230.db2.gz QGFSRISHIWDSEP-OAHLLOKOSA-N 1 0 341.412 -1.205 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCC[NH2+]CCNS(C)(=O)=O)C(C)C ZINC001152899451 793245072 /nfs/dbraw/zinc/24/50/72/793245072.db2.gz YRZKVSCPAMMVLM-CYBMUJFWSA-N 1 0 336.458 -1.208 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCC[NH2+]CCNS(C)(=O)=O)C(C)C ZINC001152899452 791371709 /nfs/dbraw/zinc/37/17/09/791371709.db2.gz YRZKVSCPAMMVLM-ZDUSSCGKSA-N 1 0 336.458 -1.208 20 0 EAADRO CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152925484 793245797 /nfs/dbraw/zinc/24/57/97/793245797.db2.gz ACMOGGQFJCKZEW-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CC[N@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152925551 793245265 /nfs/dbraw/zinc/24/52/65/793245265.db2.gz DWIMDUQICUUUIW-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152925802 793244275 /nfs/dbraw/zinc/24/42/75/793244275.db2.gz GMUOJAQZXAYKLF-OLZOCXBDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152925960 793244129 /nfs/dbraw/zinc/24/41/29/793244129.db2.gz KKAOOXMRPJLGCD-LLVKDONJSA-N 1 0 336.458 -1.160 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152926132 793245397 /nfs/dbraw/zinc/24/53/97/793245397.db2.gz MQCGBZSXNJYHBG-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO CC[N@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)CC(=O)NC ZINC001152926332 791387077 /nfs/dbraw/zinc/38/70/77/791387077.db2.gz QHSZRKDETXUUOJ-CHWSQXEVSA-N 1 0 333.429 -1.027 20 0 EAADRO CC[N@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)CC(=O)NC ZINC001152926333 791387226 /nfs/dbraw/zinc/38/72/26/791387226.db2.gz QHSZRKDETXUUOJ-OLZOCXBDSA-N 1 0 333.429 -1.027 20 0 EAADRO CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940079 793245724 /nfs/dbraw/zinc/24/57/24/793245724.db2.gz CYUYKRWKKXRFHF-MNOVXSKESA-N 1 0 328.417 -1.105 20 0 EAADRO CC[N@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940186 793245380 /nfs/dbraw/zinc/24/53/80/793245380.db2.gz IXAJAJCNAPMZNW-AGIUHOORSA-N 1 0 348.444 -1.106 20 0 EAADRO CC[N@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940187 793245475 /nfs/dbraw/zinc/24/54/75/793245475.db2.gz IXAJAJCNAPMZNW-FRRDWIJNSA-N 1 0 348.444 -1.106 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC001152947428 793244646 /nfs/dbraw/zinc/24/46/46/793244646.db2.gz QITCWMWBYYKGCY-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCOCC[NH+](C)C ZINC001152947429 793244602 /nfs/dbraw/zinc/24/46/02/793244602.db2.gz QITCWMWBYYKGCY-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO CNC(=O)Nc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001152950491 793244181 /nfs/dbraw/zinc/24/41/81/793244181.db2.gz OAUFPHFXHDGPNS-UHFFFAOYSA-N 1 0 336.352 -1.048 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152961690 793244572 /nfs/dbraw/zinc/24/45/72/793244572.db2.gz JTQGYHDJFBDVHQ-ZJUUUORDSA-N 1 0 342.400 -1.578 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152962763 793244631 /nfs/dbraw/zinc/24/46/31/793244631.db2.gz CVANNFYTOMMVMO-UHFFFAOYSA-N 1 0 335.364 -1.511 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152963415 793244355 /nfs/dbraw/zinc/24/43/55/793244355.db2.gz JQJCDMXAYNYNPU-UHFFFAOYSA-N 1 0 349.391 -1.121 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)cc1 ZINC001152963431 793244335 /nfs/dbraw/zinc/24/43/35/793244335.db2.gz KOAQSOHMGGNYLY-UHFFFAOYSA-N 1 0 348.403 -1.107 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)cc1 ZINC001152963724 793244728 /nfs/dbraw/zinc/24/47/28/793244728.db2.gz PTBXBBWABIKNIW-GFCCVEGCSA-N 1 0 332.360 -1.161 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)cc1 ZINC001152963725 793244615 /nfs/dbraw/zinc/24/46/15/793244615.db2.gz PTBXBBWABIKNIW-LBPRGKRZSA-N 1 0 332.360 -1.161 20 0 EAADRO NC(=O)c1ccc(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)cc1 ZINC001152969807 793245760 /nfs/dbraw/zinc/24/57/60/793245760.db2.gz JYHSQNMLWYPXIL-UHFFFAOYSA-N 1 0 347.375 -1.414 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152970006 793244377 /nfs/dbraw/zinc/24/43/77/793244377.db2.gz OFJUGUXUACIQCB-UHFFFAOYSA-N 1 0 342.421 -1.417 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1)C(=O)NC(N)=O ZINC001152970143 793244869 /nfs/dbraw/zinc/24/48/69/793244869.db2.gz QAPOTUOVQUXBFP-SECBINFHSA-N 1 0 335.364 -1.383 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1)C(=O)NC(N)=O ZINC001152970144 793245489 /nfs/dbraw/zinc/24/54/89/793245489.db2.gz QAPOTUOVQUXBFP-VIFPVBQESA-N 1 0 335.364 -1.383 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152970615 793245674 /nfs/dbraw/zinc/24/56/74/793245674.db2.gz YLUXHKJHJDZZEO-JTQLQIEISA-N 1 0 349.391 -1.122 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152970620 793245600 /nfs/dbraw/zinc/24/56/00/793245600.db2.gz YLUXHKJHJDZZEO-SNVBAGLBSA-N 1 0 349.391 -1.122 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCNC(=O)C1 ZINC001152985251 793245693 /nfs/dbraw/zinc/24/56/93/793245693.db2.gz CBZQOGSCLOMVBK-WMKFIOFKSA-N 1 0 334.420 -1.057 20 0 EAADRO C[C@H](C[C@H]1CCCO1)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001153022917 793244511 /nfs/dbraw/zinc/24/45/11/793244511.db2.gz DNCBAJCPGQEONY-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H](C[C@@H]1CCCO1)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001153022918 793244698 /nfs/dbraw/zinc/24/46/98/793244698.db2.gz 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793251289 /nfs/dbraw/zinc/25/12/89/793251289.db2.gz OTNADDRDMGVJEX-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)nc1 ZINC001153373041 793251727 /nfs/dbraw/zinc/25/17/27/793251727.db2.gz QORAETWHZOLYEB-UHFFFAOYSA-N 1 0 349.376 -1.010 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153373291 793250614 /nfs/dbraw/zinc/25/06/14/793250614.db2.gz ULUFLKXGZPTDTJ-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nc1 ZINC001153373293 793251029 /nfs/dbraw/zinc/25/10/29/793251029.db2.gz UMMGOZBIUCSTQC-UHFFFAOYSA-N 1 0 348.363 -2.542 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)nc1 ZINC001153373315 793250829 /nfs/dbraw/zinc/25/08/29/793250829.db2.gz VMXWSMRYLCFVII-UHFFFAOYSA-N 1 0 343.347 -1.071 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153373345 793251972 /nfs/dbraw/zinc/25/19/72/793251972.db2.gz WRHFVUHRTJAJQI-GFCCVEGCSA-N 1 0 340.380 -1.476 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153373346 793252353 /nfs/dbraw/zinc/25/23/53/793252353.db2.gz WRHFVUHRTJAJQI-LBPRGKRZSA-N 1 0 340.380 -1.476 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)nc1 ZINC001153373412 793251555 /nfs/dbraw/zinc/25/15/55/793251555.db2.gz YHPXGDCGKOCBTM-UHFFFAOYSA-N 1 0 348.363 -1.512 20 0 EAADRO CC[N@H+](C[C@@H](O)Cn1cccn1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153374969 793250804 /nfs/dbraw/zinc/25/08/04/793250804.db2.gz DDBXUIMLIWHZQW-CHWSQXEVSA-N 1 0 336.400 -1.243 20 0 EAADRO CC[N@H+](C[C@H](O)Cn1cccn1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153374970 793251900 /nfs/dbraw/zinc/25/19/00/793251900.db2.gz DDBXUIMLIWHZQW-OLZOCXBDSA-N 1 0 336.400 -1.243 20 0 EAADRO CC[N@H+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153375062 793251572 /nfs/dbraw/zinc/25/15/72/793251572.db2.gz GURUTVJVWZMJNS-LLVKDONJSA-N 1 0 337.384 -1.351 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153384991 793250779 /nfs/dbraw/zinc/25/07/79/793250779.db2.gz DYQYGZMWCZOSTP-UHFFFAOYSA-N 1 0 329.382 -1.951 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)nc1 ZINC001153384992 793252162 /nfs/dbraw/zinc/25/21/62/793252162.db2.gz DYTJAWXTTDGLSV-UHFFFAOYSA-N 1 0 348.363 -1.558 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153385008 793251085 /nfs/dbraw/zinc/25/10/85/793251085.db2.gz FIMIRHWBENHESV-UHFFFAOYSA-N 1 0 343.409 -1.561 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)nc1 ZINC001153386185 793252211 /nfs/dbraw/zinc/25/22/11/793252211.db2.gz JTZGSRJVKZUJHG-UHFFFAOYSA-N 1 0 333.348 -1.351 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)nc1 ZINC001153386882 793250639 /nfs/dbraw/zinc/25/06/39/793250639.db2.gz NFVQWACWHYPQQG-GFCCVEGCSA-N 1 0 332.364 -1.243 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)nc1 ZINC001153386884 793250558 /nfs/dbraw/zinc/25/05/58/793250558.db2.gz NFVQWACWHYPQQG-LBPRGKRZSA-N 1 0 332.364 -1.243 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)nc1 ZINC001153387336 793252047 /nfs/dbraw/zinc/25/20/47/793252047.db2.gz PVQIJMIIZUZBAN-UHFFFAOYSA-N 1 0 334.336 -1.948 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153387378 793252248 /nfs/dbraw/zinc/25/22/48/793252248.db2.gz RDMAKFUVSPUXMH-UHFFFAOYSA-N 1 0 328.394 -1.065 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC001153387741 793251995 /nfs/dbraw/zinc/25/19/95/793251995.db2.gz UOYRRDCKGRXUEI-LLVKDONJSA-N 1 0 349.391 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC001153387742 793251477 /nfs/dbraw/zinc/25/14/77/793251477.db2.gz UOYRRDCKGRXUEI-NSHDSACASA-N 1 0 349.391 -1.253 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153387748 793252075 /nfs/dbraw/zinc/25/20/75/793252075.db2.gz USVMITRDHYNYHG-MRVPVSSYSA-N 1 0 336.352 -1.656 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153387749 793252334 /nfs/dbraw/zinc/25/23/34/793252334.db2.gz USVMITRDHYNYHG-QMMMGPOBSA-N 1 0 336.352 -1.656 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)nc1 ZINC001153387797 793251878 /nfs/dbraw/zinc/25/18/78/793251878.db2.gz VURNCFLVBXHPGV-LLVKDONJSA-N 1 0 349.391 -1.347 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)nc1 ZINC001153387798 793252466 /nfs/dbraw/zinc/25/24/66/793252466.db2.gz VURNCFLVBXHPGV-NSHDSACASA-N 1 0 349.391 -1.347 20 0 EAADRO CC(C)[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)N1CCCC1=O ZINC001153403077 793250592 /nfs/dbraw/zinc/25/05/92/793250592.db2.gz SDISHRJLGCIAGQ-CYBMUJFWSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(C)[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)N1CCCC1=O ZINC001153403079 793252012 /nfs/dbraw/zinc/25/20/12/793252012.db2.gz SDISHRJLGCIAGQ-ZDUSSCGKSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)N1CCCC1=O ZINC001153403484 793252173 /nfs/dbraw/zinc/25/21/73/793252173.db2.gz YQURPPUVUXQRRD-CMPLNLGQSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)N1CCCC1=O ZINC001153403485 793250727 /nfs/dbraw/zinc/25/07/27/793250727.db2.gz YQURPPUVUXQRRD-JQWIXIFHSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)N1CCCC1=O ZINC001153403486 793251748 /nfs/dbraw/zinc/25/17/48/793251748.db2.gz YQURPPUVUXQRRD-PWSUYJOCSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)N1CCCC1=O ZINC001153403487 793250533 /nfs/dbraw/zinc/25/05/33/793250533.db2.gz YQURPPUVUXQRRD-ZYHUDNBSSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)N1CCCC1=O ZINC001153420177 793251613 /nfs/dbraw/zinc/25/16/13/793251613.db2.gz FGABMLCTIIGFKE-GFCCVEGCSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)N1CCCC1=O ZINC001153420178 793251981 /nfs/dbraw/zinc/25/19/81/793251981.db2.gz FGABMLCTIIGFKE-LBPRGKRZSA-N 1 0 327.385 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001153420947 793251811 /nfs/dbraw/zinc/25/18/11/793251811.db2.gz RONFEQHFOWCHEB-CYBMUJFWSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001153420948 793250988 /nfs/dbraw/zinc/25/09/88/793250988.db2.gz RONFEQHFOWCHEB-ZDUSSCGKSA-N 1 0 341.412 -1.205 20 0 EAADRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153446045 793252285 /nfs/dbraw/zinc/25/22/85/793252285.db2.gz MDCSASFIGARKGC-GHMZBOCLSA-N 1 0 342.400 -1.789 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153446046 793251597 /nfs/dbraw/zinc/25/15/97/793251597.db2.gz MDCSASFIGARKGC-MNOVXSKESA-N 1 0 342.400 -1.789 20 0 EAADRO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153446060 793251356 /nfs/dbraw/zinc/25/13/56/793251356.db2.gz NAYWTKUQUWLUOS-LLVKDONJSA-N 1 0 342.400 -1.788 20 0 EAADRO CC(C)OCCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001153449440 793252128 /nfs/dbraw/zinc/25/21/28/793252128.db2.gz CKKXVLOFJSTRRE-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153455653 793252259 /nfs/dbraw/zinc/25/22/59/793252259.db2.gz NEFWDGUHRMMZDL-UHFFFAOYSA-N 1 0 343.428 -1.621 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001153460820 793252140 /nfs/dbraw/zinc/25/21/40/793252140.db2.gz BXHWFORDCNUBNQ-CYBMUJFWSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001153460821 793251915 /nfs/dbraw/zinc/25/19/15/793251915.db2.gz BXHWFORDCNUBNQ-ZDUSSCGKSA-N 1 0 340.424 -1.015 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CCCC(N)=O ZINC001153460840 793250713 /nfs/dbraw/zinc/25/07/13/793250713.db2.gz CRTGSJCSRHZLHF-UHFFFAOYSA-N 1 0 337.442 -1.201 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153460865 793251536 /nfs/dbraw/zinc/25/15/36/793251536.db2.gz FHAGTKJRAWVHOS-UHFFFAOYSA-N 1 0 329.401 -1.028 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)CCCC(N)=O)C2=O)n1 ZINC001153461272 793250903 /nfs/dbraw/zinc/25/09/03/793250903.db2.gz JTAHISKOVPNCGD-LLVKDONJSA-N 1 0 336.396 -1.113 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)CCCC(N)=O)C2=O)n1 ZINC001153461281 793251394 /nfs/dbraw/zinc/25/13/94/793251394.db2.gz JTAHISKOVPNCGD-NSHDSACASA-N 1 0 336.396 -1.113 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)CCCC(N)=O)C1 ZINC001153461667 793252455 /nfs/dbraw/zinc/25/24/55/793252455.db2.gz NARFHDZYVBLGRX-LLVKDONJSA-N 1 0 334.442 -1.371 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)CCCC(N)=O)C1 ZINC001153461668 791418537 /nfs/dbraw/zinc/41/85/37/791418537.db2.gz NARFHDZYVBLGRX-NSHDSACASA-N 1 0 334.442 -1.371 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153461680 793251159 /nfs/dbraw/zinc/25/11/59/793251159.db2.gz NKVJPTZVCYENJT-UHFFFAOYSA-N 1 0 338.412 -1.260 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001153461696 793250747 /nfs/dbraw/zinc/25/07/47/793250747.db2.gz NYCLNLRJSVGRDA-JTQLQIEISA-N 1 0 328.369 -2.142 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001153461697 793252416 /nfs/dbraw/zinc/25/24/16/793252416.db2.gz NYCLNLRJSVGRDA-SNVBAGLBSA-N 1 0 328.369 -2.142 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)CCCC(N)=O)C2=O)cn1 ZINC001153462072 793252427 /nfs/dbraw/zinc/25/24/27/793252427.db2.gz RCDDUHWYXOVZNG-GFCCVEGCSA-N 1 0 336.396 -1.113 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)CCCC(N)=O)C2=O)cn1 ZINC001153462073 793250662 /nfs/dbraw/zinc/25/06/62/793250662.db2.gz RCDDUHWYXOVZNG-LBPRGKRZSA-N 1 0 336.396 -1.113 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001153462084 793251660 /nfs/dbraw/zinc/25/16/60/793251660.db2.gz RIYVTEDNHXPGPF-UHFFFAOYSA-N 1 0 341.412 -1.928 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153462578 793252026 /nfs/dbraw/zinc/25/20/26/793252026.db2.gz YYZNHMRBSYAGKX-UHFFFAOYSA-N 1 0 329.401 -1.170 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CCCC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001153466454 793251766 /nfs/dbraw/zinc/25/17/66/793251766.db2.gz AMBKUPALRWZPCV-SECBINFHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CCCC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001153466455 793252059 /nfs/dbraw/zinc/25/20/59/793252059.db2.gz AMBKUPALRWZPCV-VIFPVBQESA-N 1 0 327.385 -1.276 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001153466469 793252486 /nfs/dbraw/zinc/25/24/86/793252486.db2.gz BBUOSIFCCJHMBA-LLVKDONJSA-N 1 0 341.412 -1.928 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001153466470 793251953 /nfs/dbraw/zinc/25/19/53/793251953.db2.gz BBUOSIFCCJHMBA-NSHDSACASA-N 1 0 341.412 -1.928 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001153466479 793252230 /nfs/dbraw/zinc/25/22/30/793252230.db2.gz BFGVGWRBHIXFCW-UHFFFAOYSA-N 1 0 341.412 -1.914 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153467277 793251008 /nfs/dbraw/zinc/25/10/08/793251008.db2.gz KMLDBIIACQGBBM-JTQLQIEISA-N 1 0 345.400 -1.792 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153467278 793251780 /nfs/dbraw/zinc/25/17/80/793251780.db2.gz KMLDBIIACQGBBM-SNVBAGLBSA-N 1 0 345.400 -1.792 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)CCCC(N)=O)C1=O ZINC001153467389 791418566 /nfs/dbraw/zinc/41/85/66/791418566.db2.gz LLMJAAHETBTNEF-UHFFFAOYSA-N 1 0 327.385 -1.322 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001153467442 793252903 /nfs/dbraw/zinc/25/29/03/793252903.db2.gz LTDKYBCARUQDTM-CHWSQXEVSA-N 1 0 331.413 -1.096 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001153467464 793253290 /nfs/dbraw/zinc/25/32/90/793253290.db2.gz LTDKYBCARUQDTM-OLZOCXBDSA-N 1 0 331.413 -1.096 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001153467466 793254426 /nfs/dbraw/zinc/25/44/26/793254426.db2.gz LTDKYBCARUQDTM-QWHCGFSZSA-N 1 0 331.413 -1.096 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001153467468 793253790 /nfs/dbraw/zinc/25/37/90/793253790.db2.gz LTDKYBCARUQDTM-STQMWFEESA-N 1 0 331.413 -1.096 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153467619 793252919 /nfs/dbraw/zinc/25/29/19/793252919.db2.gz NBTHDZAYMQMNGQ-UHFFFAOYSA-N 1 0 329.401 -1.026 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)CCCC(N)=O)CC1 ZINC001153467803 793253411 /nfs/dbraw/zinc/25/34/11/793253411.db2.gz OGQACBZMWXOHQR-UHFFFAOYSA-N 1 0 341.412 -1.962 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCCC(N)=O)C[C@H](C)O1 ZINC001153467910 793254541 /nfs/dbraw/zinc/25/45/41/793254541.db2.gz PYSHCNFISJUUCF-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCCC(N)=O)C[C@H](C)O1 ZINC001153467912 793254117 /nfs/dbraw/zinc/25/41/17/793254117.db2.gz PYSHCNFISJUUCF-TXEJJXNPSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCCC(N)=O)C[C@@H](C)O1 ZINC001153467913 793254680 /nfs/dbraw/zinc/25/46/80/793254680.db2.gz PYSHCNFISJUUCF-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC(N)=O ZINC001153468209 793253613 /nfs/dbraw/zinc/25/36/13/793253613.db2.gz SUVXOHDOHGEPLD-JTQLQIEISA-N 1 0 329.401 -1.030 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC(N)=O ZINC001153468210 793254825 /nfs/dbraw/zinc/25/48/25/793254825.db2.gz SUVXOHDOHGEPLD-SNVBAGLBSA-N 1 0 329.401 -1.030 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001153468247 793253302 /nfs/dbraw/zinc/25/33/02/793253302.db2.gz UIKBOOPCUIGNJD-GFCCVEGCSA-N 1 0 331.413 -1.096 20 0 EAADRO NC(=O)CCCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001153468248 793254086 /nfs/dbraw/zinc/25/40/86/793254086.db2.gz UIKBOOPCUIGNJD-LBPRGKRZSA-N 1 0 331.413 -1.096 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)CCCC(N)=O)C(=O)N(C)C ZINC001153468290 793254304 /nfs/dbraw/zinc/25/43/04/793254304.db2.gz VKOQSTHTYUEYED-JTQLQIEISA-N 1 0 329.401 -2.059 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCCC(N)=O)C(=O)N(C)C ZINC001153468292 793253350 /nfs/dbraw/zinc/25/33/50/793253350.db2.gz VKOQSTHTYUEYED-SNVBAGLBSA-N 1 0 329.401 -2.059 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153468542 793253889 /nfs/dbraw/zinc/25/38/89/793253889.db2.gz XPUGOOIRDUNLMS-UHFFFAOYSA-N 1 0 343.428 -1.668 20 0 EAADRO Cn1c(C[NH2+]CCNC(=O)CCCC(N)=O)cc(=O)n(C)c1=O ZINC001153468566 793252988 /nfs/dbraw/zinc/25/29/88/793252988.db2.gz YMVPUCZDBZTOAW-UHFFFAOYSA-N 1 0 325.369 -2.055 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cn2ccnc2)CC1 ZINC001153495412 793254271 /nfs/dbraw/zinc/25/42/71/793254271.db2.gz IVHWUYNLZHKURT-UHFFFAOYSA-N 1 0 336.396 -1.687 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)Cn2ccnc2)C1 ZINC001153495814 793254015 /nfs/dbraw/zinc/25/40/15/793254015.db2.gz OMYIPXWVCMEMDE-GFCCVEGCSA-N 1 0 329.426 -1.130 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)Cn2ccnc2)C1 ZINC001153495815 793254586 /nfs/dbraw/zinc/25/45/86/793254586.db2.gz OMYIPXWVCMEMDE-LBPRGKRZSA-N 1 0 329.426 -1.130 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153496301 793254845 /nfs/dbraw/zinc/25/48/45/793254845.db2.gz YZWYWPRNRSALLY-UHFFFAOYSA-N 1 0 338.412 -1.380 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cn2ccnc2)CC1 ZINC001153499916 793253807 /nfs/dbraw/zinc/25/38/07/793253807.db2.gz AAASOXCQRCAHKR-UHFFFAOYSA-N 1 0 336.396 -1.720 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153499940 793253859 /nfs/dbraw/zinc/25/38/59/793253859.db2.gz ARSOQKNFOQNCSC-UHFFFAOYSA-N 1 0 347.441 -1.455 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cn2ccnc2)C1 ZINC001153500007 793253575 /nfs/dbraw/zinc/25/35/75/793253575.db2.gz CGDZVHNGCCJOFG-GFCCVEGCSA-N 1 0 336.396 -1.687 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cn2ccnc2)C1 ZINC001153500009 793253189 /nfs/dbraw/zinc/25/31/89/793253189.db2.gz CGDZVHNGCCJOFG-LBPRGKRZSA-N 1 0 336.396 -1.687 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153500354 793254046 /nfs/dbraw/zinc/25/40/46/793254046.db2.gz KOIKTBZBPFVKCB-UHFFFAOYSA-N 1 0 333.396 -1.019 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153500471 793253449 /nfs/dbraw/zinc/25/34/49/793253449.db2.gz LPHNBFFGJZRIAM-UHFFFAOYSA-N 1 0 338.412 -1.427 20 0 EAADRO O=C(C[NH2+]CCNC(=O)Cn1ccnc1)NCC(=O)N1CCCC1 ZINC001153500835 793253513 /nfs/dbraw/zinc/25/35/13/793253513.db2.gz VXMBTXROSCXGQV-UHFFFAOYSA-N 1 0 336.396 -1.673 20 0 EAADRO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153501846 793254946 /nfs/dbraw/zinc/25/49/46/793254946.db2.gz VECXFJIDMLFNST-LLVKDONJSA-N 1 0 349.399 -1.505 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnc(-n2cncn2)c1 ZINC001153507368 793253109 /nfs/dbraw/zinc/25/31/09/793253109.db2.gz HHNKRBMCISKMRZ-UHFFFAOYSA-N 1 0 346.351 -1.563 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccnc(-n2cncn2)c1 ZINC001153507391 793254558 /nfs/dbraw/zinc/25/45/58/793254558.db2.gz HUNRFPKTXDQGIL-LLVKDONJSA-N 1 0 343.347 -1.213 20 0 EAADRO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccnc(-n2cncn2)c1 ZINC001153507392 793253422 /nfs/dbraw/zinc/25/34/22/793253422.db2.gz HUNRFPKTXDQGIL-NSHDSACASA-N 1 0 343.347 -1.213 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153507900 793254913 /nfs/dbraw/zinc/25/49/13/793254913.db2.gz NJNZXSBMVJFDDT-LLVKDONJSA-N 1 0 340.384 -1.550 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153507901 793253761 /nfs/dbraw/zinc/25/37/61/793253761.db2.gz NJNZXSBMVJFDDT-NSHDSACASA-N 1 0 340.384 -1.550 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1COc2ccccc21)N1CCNC(=O)C1 ZINC001153508268 793254151 /nfs/dbraw/zinc/25/41/51/793254151.db2.gz VHKWGVTZJMTXRM-CYBMUJFWSA-N 1 0 346.387 -1.173 20 0 EAADRO O=C(C[NH2+]CCNC(=O)[C@H]1COc2ccccc21)N1CCNC(=O)C1 ZINC001153508269 793253336 /nfs/dbraw/zinc/25/33/36/793253336.db2.gz VHKWGVTZJMTXRM-ZDUSSCGKSA-N 1 0 346.387 -1.173 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccnc(-n2cncn2)c1 ZINC001153508324 793254470 /nfs/dbraw/zinc/25/44/70/793254470.db2.gz XLMANSIXVWVDSK-UHFFFAOYSA-N 1 0 332.324 -1.823 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153513624 793253929 /nfs/dbraw/zinc/25/39/29/793253929.db2.gz BXTWMZLSVCAFTM-GFCCVEGCSA-N 1 0 340.380 -1.476 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153513625 793253496 /nfs/dbraw/zinc/25/34/96/793253496.db2.gz BXTWMZLSVCAFTM-LBPRGKRZSA-N 1 0 340.380 -1.476 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)nc2)CCO1 ZINC001153514082 793253070 /nfs/dbraw/zinc/25/30/70/793253070.db2.gz HGDGZJPRJYVMOI-LLVKDONJSA-N 1 0 349.391 -1.253 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc(C(N)=O)nc2)CCO1 ZINC001153514083 793253050 /nfs/dbraw/zinc/25/30/50/793253050.db2.gz HGDGZJPRJYVMOI-NSHDSACASA-N 1 0 349.391 -1.253 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153514147 793253598 /nfs/dbraw/zinc/25/35/98/793253598.db2.gz IEFJRZIUBQVMOQ-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)cn1 ZINC001153514330 793253732 /nfs/dbraw/zinc/25/37/32/793253732.db2.gz JDXZIFOIALRHJW-UHFFFAOYSA-N 1 0 348.363 -1.558 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001153515499 793253679 /nfs/dbraw/zinc/25/36/79/793253679.db2.gz XLZIYVMBFVKYIR-JTQLQIEISA-N 1 0 340.405 -1.065 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)cn1 ZINC001153515500 793254138 /nfs/dbraw/zinc/25/41/38/793254138.db2.gz XLZIYVMBFVKYIR-SNVBAGLBSA-N 1 0 340.405 -1.065 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153519997 793252884 /nfs/dbraw/zinc/25/28/84/793252884.db2.gz BCAILIDRAURWIA-UHFFFAOYSA-N 1 0 328.394 -1.065 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001153520037 793254741 /nfs/dbraw/zinc/25/47/41/793254741.db2.gz CYGNYNATCTYCEQ-UHFFFAOYSA-N 1 0 334.336 -1.948 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520041 793253091 /nfs/dbraw/zinc/25/30/91/793253091.db2.gz DLSCGTNTQWSOFU-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520053 793253909 /nfs/dbraw/zinc/25/39/09/793253909.db2.gz FAYPXUUAZHZOMB-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)cn1 ZINC001153520057 793253142 /nfs/dbraw/zinc/25/31/42/793253142.db2.gz FGPLUXQDLDGCIF-UHFFFAOYSA-N 1 0 349.391 -1.205 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)cn1 ZINC001153520072 793254933 /nfs/dbraw/zinc/25/49/33/793254933.db2.gz FZRCJUZKSFPOTA-UHFFFAOYSA-N 1 0 333.348 -1.351 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1ccnc(-n2cncn2)c1)C(=O)NC(N)=O ZINC001153520336 793254398 /nfs/dbraw/zinc/25/43/98/793254398.db2.gz IQAUVNWXJOIJRG-SECBINFHSA-N 1 0 346.351 -1.435 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1ccnc(-n2cncn2)c1)C(=O)NC(N)=O ZINC001153520337 793254165 /nfs/dbraw/zinc/25/41/65/793254165.db2.gz IQAUVNWXJOIJRG-VIFPVBQESA-N 1 0 346.351 -1.435 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)cn1 ZINC001153520464 793254226 /nfs/dbraw/zinc/25/42/26/793254226.db2.gz LMQKPRUZZIJMGH-UHFFFAOYSA-N 1 0 343.347 -1.071 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)cn1 ZINC001153520709 793253691 /nfs/dbraw/zinc/25/36/91/793253691.db2.gz QAYHLPXKWGDDRW-LLVKDONJSA-N 1 0 349.391 -1.347 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)cn1 ZINC001153520710 793254696 /nfs/dbraw/zinc/25/46/96/793254696.db2.gz QAYHLPXKWGDDRW-NSHDSACASA-N 1 0 349.391 -1.347 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001153520725 793254718 /nfs/dbraw/zinc/25/47/18/793254718.db2.gz RDOWMZJOYWOWME-UHFFFAOYSA-N 1 0 335.364 -1.641 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520733 793253009 /nfs/dbraw/zinc/25/30/09/793253009.db2.gz RNCVHLBBMARAAV-UHFFFAOYSA-N 1 0 329.382 -1.951 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520907 793253658 /nfs/dbraw/zinc/25/36/58/793253658.db2.gz VGIFGXLVQBSODP-MRVPVSSYSA-N 1 0 336.352 -1.656 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520910 793253239 /nfs/dbraw/zinc/25/32/39/793253239.db2.gz VGIFGXLVQBSODP-QMMMGPOBSA-N 1 0 336.352 -1.656 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520925 793254096 /nfs/dbraw/zinc/25/40/96/793254096.db2.gz VKCBBEKQSLCDMJ-UHFFFAOYSA-N 1 0 343.409 -1.561 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)cn1 ZINC001153521047 793253038 /nfs/dbraw/zinc/25/30/38/793253038.db2.gz XSENATJTSHTLGH-GFCCVEGCSA-N 1 0 332.364 -1.243 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)cn1 ZINC001153521048 793253441 /nfs/dbraw/zinc/25/34/41/793253441.db2.gz XSENATJTSHTLGH-LBPRGKRZSA-N 1 0 332.364 -1.243 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)cn1 ZINC001153527129 793253939 /nfs/dbraw/zinc/25/39/39/793253939.db2.gz AXMSEMZDDZAXBF-GFCCVEGCSA-N 1 0 349.391 -1.205 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)cn1 ZINC001153527130 793254604 /nfs/dbraw/zinc/25/46/04/793254604.db2.gz AXMSEMZDDZAXBF-LBPRGKRZSA-N 1 0 349.391 -1.205 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)cn1 ZINC001153527151 793253989 /nfs/dbraw/zinc/25/39/89/793253989.db2.gz BMVGXQCFXFADPQ-UHFFFAOYSA-N 1 0 349.376 -1.010 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)cn1 ZINC001153527160 793253279 /nfs/dbraw/zinc/25/32/79/793253279.db2.gz BVKPLWFGOOLTNK-LBPRGKRZSA-N 1 0 349.391 -1.517 20 0 EAADRO CN(CC[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1)S(C)(=O)=O ZINC001153527764 793254753 /nfs/dbraw/zinc/25/47/53/793254753.db2.gz JUKXMUUHDOIPED-UHFFFAOYSA-N 1 0 343.409 -1.609 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153528043 793254520 /nfs/dbraw/zinc/25/45/20/793254520.db2.gz NRJUBEYUBZIPAQ-UHFFFAOYSA-N 1 0 337.380 -1.347 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001153528907 793253159 /nfs/dbraw/zinc/25/31/59/793253159.db2.gz WDEAWWVZMSJDSX-UHFFFAOYSA-N 1 0 348.363 -2.542 20 0 EAADRO NC(=O)c1ccc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)cn1 ZINC001153529204 793253555 /nfs/dbraw/zinc/25/35/55/793253555.db2.gz WZMJFRSQFKCINK-UHFFFAOYSA-N 1 0 348.363 -1.512 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H](C)NC(=O)COC ZINC001153532180 793252964 /nfs/dbraw/zinc/25/29/64/793252964.db2.gz FABGICQXBDBCLI-AGIUHOORSA-N 1 0 333.429 -1.029 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Cn1cc(CCC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)nn1 ZINC001153762374 793263138 /nfs/dbraw/zinc/26/31/38/793263138.db2.gz ZSMMPFYNQUUABZ-CYBMUJFWSA-N 1 0 338.412 -1.251 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)nn1 ZINC001153762375 793262432 /nfs/dbraw/zinc/26/24/32/793262432.db2.gz ZSMMPFYNQUUABZ-ZDUSSCGKSA-N 1 0 338.412 -1.251 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153766259 793262705 /nfs/dbraw/zinc/26/27/05/793262705.db2.gz OKUJBIGYPRRMMN-UHFFFAOYSA-N 1 0 346.457 -1.217 20 0 EAADRO CN(CC[NH2+]CCNC(=O)CCc1cn(C)nn1)S(C)(=O)=O ZINC001153766336 793263534 /nfs/dbraw/zinc/26/35/34/793263534.db2.gz QNOVAFFTBLOWIU-UHFFFAOYSA-N 1 0 332.430 -1.655 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001153766495 793262873 /nfs/dbraw/zinc/26/28/73/793262873.db2.gz UTIOLSIMQPCNGP-UHFFFAOYSA-N 1 0 344.441 -1.511 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770273 793262603 /nfs/dbraw/zinc/26/26/03/793262603.db2.gz ACFISTQFAZSNQR-GXTWGEPZSA-N 1 0 343.428 -1.134 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770274 793263272 /nfs/dbraw/zinc/26/32/72/793263272.db2.gz ACFISTQFAZSNQR-JSGCOSHPSA-N 1 0 343.428 -1.134 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770275 793263226 /nfs/dbraw/zinc/26/32/26/793263226.db2.gz ACFISTQFAZSNQR-OCCSQVGLSA-N 1 0 343.428 -1.134 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770276 793262853 /nfs/dbraw/zinc/26/28/53/793262853.db2.gz ACFISTQFAZSNQR-TZMCWYRMSA-N 1 0 343.428 -1.134 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001153770279 793262302 /nfs/dbraw/zinc/26/23/02/793262302.db2.gz ADLKJXCATZCBNA-LLVKDONJSA-N 1 0 329.426 -1.112 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001153770280 793263636 /nfs/dbraw/zinc/26/36/36/793263636.db2.gz ADLKJXCATZCBNA-NSHDSACASA-N 1 0 329.426 -1.112 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770355 793262683 /nfs/dbraw/zinc/26/26/83/793262683.db2.gz CGTQBDYRZPVIED-UHFFFAOYSA-N 1 0 346.457 -1.265 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)nn1 ZINC001153770358 793263341 /nfs/dbraw/zinc/26/33/41/793263341.db2.gz CIUMGRJYVRWZGO-UHFFFAOYSA-N 1 0 337.384 -1.605 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770366 793262334 /nfs/dbraw/zinc/26/23/34/793262334.db2.gz CLWRZTIRINBQHQ-GFCCVEGCSA-N 1 0 340.428 -1.005 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770368 793263580 /nfs/dbraw/zinc/26/35/80/793263580.db2.gz CLWRZTIRINBQHQ-LBPRGKRZSA-N 1 0 340.428 -1.005 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)nn1 ZINC001153770383 793262196 /nfs/dbraw/zinc/26/21/96/793262196.db2.gz DFNHEDKXUJQSFW-GFCCVEGCSA-N 1 0 338.412 -1.394 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)nn1 ZINC001153770385 793263025 /nfs/dbraw/zinc/26/30/25/793263025.db2.gz DFNHEDKXUJQSFW-LBPRGKRZSA-N 1 0 338.412 -1.394 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001153770508 793264495 /nfs/dbraw/zinc/26/44/95/793264495.db2.gz GAPBCKYEQRWTPB-UHFFFAOYSA-N 1 0 349.395 -1.949 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770625 793265089 /nfs/dbraw/zinc/26/50/89/793265089.db2.gz INLFWQPIEZMPOL-UHFFFAOYSA-N 1 0 332.430 -1.607 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2cn(C)nn2)CCO1 ZINC001153770821 793264525 /nfs/dbraw/zinc/26/45/25/793264525.db2.gz LVYSMZGUSXWOPW-GFCCVEGCSA-N 1 0 338.412 -1.299 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2cn(C)nn2)CCO1 ZINC001153770822 793265371 /nfs/dbraw/zinc/26/53/71/793265371.db2.gz LVYSMZGUSXWOPW-LBPRGKRZSA-N 1 0 338.412 -1.299 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153770990 793264351 /nfs/dbraw/zinc/26/43/51/793264351.db2.gz PMLXEBOCAZDROJ-UHFFFAOYSA-N 1 0 326.401 -1.394 20 0 EAADRO Cn1cc(CCC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)nn1 ZINC001153771185 793264799 /nfs/dbraw/zinc/26/47/99/793264799.db2.gz UJTGHJCYDHYEAL-ZDUSSCGKSA-N 1 0 338.412 -1.563 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153771239 793264989 /nfs/dbraw/zinc/26/49/89/793264989.db2.gz WRWXHMDEZWPXCL-SECBINFHSA-N 1 0 325.373 -1.702 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153771240 793265813 /nfs/dbraw/zinc/26/58/13/793265813.db2.gz WRWXHMDEZWPXCL-VIFPVBQESA-N 1 0 325.373 -1.702 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153771351 793265681 /nfs/dbraw/zinc/26/56/81/793265681.db2.gz XGPJGYJUONQOKZ-CYBMUJFWSA-N 1 0 329.401 -1.523 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153771353 793264728 /nfs/dbraw/zinc/26/47/28/793264728.db2.gz XGPJGYJUONQOKZ-ZDUSSCGKSA-N 1 0 329.401 -1.523 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001153781803 793265361 /nfs/dbraw/zinc/26/53/61/793265361.db2.gz AKGDXGQOLBOCKH-LLVKDONJSA-N 1 0 326.397 -1.011 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001153781804 793265065 /nfs/dbraw/zinc/26/50/65/793265065.db2.gz AKGDXGQOLBOCKH-NSHDSACASA-N 1 0 326.397 -1.011 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153782013 793265619 /nfs/dbraw/zinc/26/56/19/793265619.db2.gz IPMGFJDANKGMMY-NXEZZACHSA-N 1 0 329.401 -1.316 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153782014 793265053 /nfs/dbraw/zinc/26/50/53/793265053.db2.gz IPMGFJDANKGMMY-UWVGGRQHSA-N 1 0 329.401 -1.316 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153782015 793264457 /nfs/dbraw/zinc/26/44/57/793264457.db2.gz IPMGFJDANKGMMY-VHSXEESVSA-N 1 0 329.401 -1.316 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153782016 793265229 /nfs/dbraw/zinc/26/52/29/793265229.db2.gz IPMGFJDANKGMMY-ZJUUUORDSA-N 1 0 329.401 -1.316 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001153782029 793265512 /nfs/dbraw/zinc/26/55/12/793265512.db2.gz JOZSSWULQMAEFS-CHWSQXEVSA-N 1 0 342.440 -1.008 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001153782030 793265734 /nfs/dbraw/zinc/26/57/34/793265734.db2.gz JOZSSWULQMAEFS-OLZOCXBDSA-N 1 0 342.440 -1.008 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001153782031 793264917 /nfs/dbraw/zinc/26/49/17/793264917.db2.gz JOZSSWULQMAEFS-QWHCGFSZSA-N 1 0 342.440 -1.008 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001153782032 793264639 /nfs/dbraw/zinc/26/46/39/793264639.db2.gz JOZSSWULQMAEFS-STQMWFEESA-N 1 0 342.440 -1.008 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153789370 793265496 /nfs/dbraw/zinc/26/54/96/793265496.db2.gz AOKPGDLHZVWYSF-GFCCVEGCSA-N 1 0 330.429 -1.008 20 0 EAADRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153789371 793265273 /nfs/dbraw/zinc/26/52/73/793265273.db2.gz AOKPGDLHZVWYSF-LBPRGKRZSA-N 1 0 330.429 -1.008 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001153789416 793264506 /nfs/dbraw/zinc/26/45/06/793264506.db2.gz BNWAHDKRHUFPTI-LLVKDONJSA-N 1 0 336.458 -1.269 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001153789417 793265104 /nfs/dbraw/zinc/26/51/04/793265104.db2.gz BNWAHDKRHUFPTI-NSHDSACASA-N 1 0 336.458 -1.269 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001153789425 793265080 /nfs/dbraw/zinc/26/50/80/793265080.db2.gz BWONLKOWSYTIIZ-QWHCGFSZSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001153789426 793265693 /nfs/dbraw/zinc/26/56/93/793265693.db2.gz BWONLKOWSYTIIZ-STQMWFEESA-N 1 0 342.440 -1.177 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001153789881 793265261 /nfs/dbraw/zinc/26/52/61/793265261.db2.gz HYLWTHZJYYNTIS-GFCCVEGCSA-N 1 0 328.413 -1.301 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001153789882 793265700 /nfs/dbraw/zinc/26/57/00/793265700.db2.gz HYLWTHZJYYNTIS-LBPRGKRZSA-N 1 0 328.413 -1.301 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001153789938 793264567 /nfs/dbraw/zinc/26/45/67/793264567.db2.gz JKCXDXFQMBLNOG-GFCCVEGCSA-N 1 0 348.469 -1.125 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001153789940 793265472 /nfs/dbraw/zinc/26/54/72/793265472.db2.gz JKCXDXFQMBLNOG-LBPRGKRZSA-N 1 0 348.469 -1.125 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153790176 793264934 /nfs/dbraw/zinc/26/49/34/793264934.db2.gz MZYHXSJXEFTVND-GFCCVEGCSA-N 1 0 330.429 -1.008 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153790177 793264299 /nfs/dbraw/zinc/26/42/99/793264299.db2.gz MZYHXSJXEFTVND-LBPRGKRZSA-N 1 0 330.429 -1.008 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001153790342 793265485 /nfs/dbraw/zinc/26/54/85/793265485.db2.gz TUHQUWQBIZVIAU-LLVKDONJSA-N 1 0 341.412 -1.172 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001153790343 793265027 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COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153794512 793264341 /nfs/dbraw/zinc/26/43/41/793264341.db2.gz BSJJNDHIHRUMIV-OLZOCXBDSA-N 1 0 333.429 -1.136 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153794514 793264482 /nfs/dbraw/zinc/26/44/82/793264482.db2.gz BSJJNDHIHRUMIV-QWHCGFSZSA-N 1 0 333.429 -1.136 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153794515 793264228 /nfs/dbraw/zinc/26/42/28/793264228.db2.gz BSJJNDHIHRUMIV-STQMWFEESA-N 1 0 333.429 -1.136 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001153794516 793264811 /nfs/dbraw/zinc/26/48/11/793264811.db2.gz BTGXAIBFZXKJMD-LLVKDONJSA-N 1 0 341.412 -1.218 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001153794519 793264210 /nfs/dbraw/zinc/26/42/10/793264210.db2.gz BTGXAIBFZXKJMD-NSHDSACASA-N 1 0 341.412 -1.218 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153795217 793264850 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CC(=O)N[C@H](CCC(C)C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001153809557 793265724 /nfs/dbraw/zinc/26/57/24/793265724.db2.gz RGVJMTBVSKJQKL-LLVKDONJSA-N 1 0 329.401 -1.172 20 0 EAADRO CC(=O)N[C@@H](CCC(C)C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001153809558 793264587 /nfs/dbraw/zinc/26/45/87/793264587.db2.gz RGVJMTBVSKJQKL-NSHDSACASA-N 1 0 329.401 -1.172 20 0 EAADRO Cc1nc[nH]c1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001153828153 793264738 /nfs/dbraw/zinc/26/47/38/793264738.db2.gz QLLMYVIYDYKCRH-UHFFFAOYSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2[nH]cnc2C)CC1 ZINC001153831350 793265772 /nfs/dbraw/zinc/26/57/72/793265772.db2.gz DHBGWIWFGYLCOG-UHFFFAOYSA-N 1 0 336.396 -1.272 20 0 EAADRO Cc1nc[nH]c1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001153831454 793265121 /nfs/dbraw/zinc/26/51/21/793265121.db2.gz HOMJBNDGFPQGTP-UHFFFAOYSA-N 1 0 336.396 -1.224 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)c1[nH]cnc1C ZINC001153831455 793265343 /nfs/dbraw/zinc/26/53/43/793265343.db2.gz 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O=C(C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)NC[C@@H]1CCCO1 ZINC001153883109 793268509 /nfs/dbraw/zinc/26/85/09/793268509.db2.gz WDFDXTWUZUEYIK-QWRGUYRKSA-N 1 0 340.380 -1.960 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)NC[C@H]1CCCO1 ZINC001153883110 793269439 /nfs/dbraw/zinc/26/94/39/793269439.db2.gz WDFDXTWUZUEYIK-WDEREUQCSA-N 1 0 340.380 -1.960 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001153883131 793269308 /nfs/dbraw/zinc/26/93/08/793269308.db2.gz WRYRRIJAAAJXEX-GHMZBOCLSA-N 1 0 345.421 -1.430 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001153883132 793268694 /nfs/dbraw/zinc/26/86/94/793268694.db2.gz WRYRRIJAAAJXEX-MNOVXSKESA-N 1 0 345.421 -1.430 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001153883133 793268840 /nfs/dbraw/zinc/26/88/40/793268840.db2.gz WRYRRIJAAAJXEX-QWRGUYRKSA-N 1 0 345.421 -1.430 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001153883134 793268376 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CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153883223 793269113 /nfs/dbraw/zinc/26/91/13/793269113.db2.gz ZMIFJXCPZIDQLO-VIFPVBQESA-N 1 0 341.368 -2.019 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)NCc1cccnc1 ZINC001153886440 793268904 /nfs/dbraw/zinc/26/89/04/793268904.db2.gz BNHMVLZGWGOCAL-GFCCVEGCSA-N 1 0 347.375 -1.544 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)NCc1cccnc1 ZINC001153886441 793269192 /nfs/dbraw/zinc/26/91/92/793269192.db2.gz BNHMVLZGWGOCAL-LBPRGKRZSA-N 1 0 347.375 -1.544 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001153886489 793268630 /nfs/dbraw/zinc/26/86/30/793268630.db2.gz DEJWFEKMBLWSFT-NEPJUHHUSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001153886490 793268940 /nfs/dbraw/zinc/26/89/40/793268940.db2.gz DEJWFEKMBLWSFT-NWDGAFQWSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001153886491 793269033 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CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886757 793268638 /nfs/dbraw/zinc/26/86/38/793268638.db2.gz IKEAOJCLZNGPRL-JTQLQIEISA-N 1 0 326.397 -1.093 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886759 793269134 /nfs/dbraw/zinc/26/91/34/793269134.db2.gz IKEAOJCLZNGPRL-SNVBAGLBSA-N 1 0 326.397 -1.093 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886783 793269006 /nfs/dbraw/zinc/26/90/06/793269006.db2.gz ISONLKDQRUGFTH-JTQLQIEISA-N 1 0 340.405 -1.023 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886785 793268665 /nfs/dbraw/zinc/26/86/65/793268665.db2.gz ISONLKDQRUGFTH-SNVBAGLBSA-N 1 0 340.405 -1.023 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)NC[C@H]1CCOC1 ZINC001153886910 793268538 /nfs/dbraw/zinc/26/85/38/793268538.db2.gz KKOXQNIXAHSYPB-GHMZBOCLSA-N 1 0 340.380 -2.102 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)NC[C@H]1CCOC1 ZINC001153886911 793268054 /nfs/dbraw/zinc/26/80/54/793268054.db2.gz KKOXQNIXAHSYPB-MNOVXSKESA-N 1 0 340.380 -2.102 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)NC[C@@H]1CCOC1 ZINC001153886912 793268130 /nfs/dbraw/zinc/26/81/30/793268130.db2.gz KKOXQNIXAHSYPB-QWRGUYRKSA-N 1 0 340.380 -2.102 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CCOC1 ZINC001153886913 793268090 /nfs/dbraw/zinc/26/80/90/793268090.db2.gz KKOXQNIXAHSYPB-WDEREUQCSA-N 1 0 340.380 -2.102 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886928 793269278 /nfs/dbraw/zinc/26/92/78/793269278.db2.gz LIGMCSDBYLKMIR-BDAKNGLRSA-N 1 0 341.368 -2.021 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886929 793268231 /nfs/dbraw/zinc/26/82/31/793268231.db2.gz LIGMCSDBYLKMIR-DTWKUNHWSA-N 1 0 341.368 -2.021 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886930 793268032 /nfs/dbraw/zinc/26/80/32/793268032.db2.gz LIGMCSDBYLKMIR-IUCAKERBSA-N 1 0 341.368 -2.021 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886931 793269040 /nfs/dbraw/zinc/26/90/40/793269040.db2.gz LIGMCSDBYLKMIR-RKDXNWHRSA-N 1 0 341.368 -2.021 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001153886932 793268475 /nfs/dbraw/zinc/26/84/75/793268475.db2.gz LJIYRVRBPLTPHI-GHMZBOCLSA-N 1 0 340.380 -2.008 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001153886933 793269452 /nfs/dbraw/zinc/26/94/52/793269452.db2.gz LJIYRVRBPLTPHI-MNOVXSKESA-N 1 0 340.380 -2.008 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC001153886934 793269375 /nfs/dbraw/zinc/26/93/75/793269375.db2.gz LJIYRVRBPLTPHI-QWRGUYRKSA-N 1 0 340.380 -2.008 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC001153886935 793268462 /nfs/dbraw/zinc/26/84/62/793268462.db2.gz LJIYRVRBPLTPHI-WDEREUQCSA-N 1 0 340.380 -2.008 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001153886961 793269240 /nfs/dbraw/zinc/26/92/40/793269240.db2.gz MAJDBKFBEKAMIG-NEPJUHHUSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001153886962 793268260 /nfs/dbraw/zinc/26/82/60/793268260.db2.gz MAJDBKFBEKAMIG-NWDGAFQWSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001153886963 793268893 /nfs/dbraw/zinc/26/88/93/793268893.db2.gz MAJDBKFBEKAMIG-RYUDHWBXSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001153886964 793268219 /nfs/dbraw/zinc/26/82/19/793268219.db2.gz MAJDBKFBEKAMIG-VXGBXAGGSA-N 1 0 327.381 -1.059 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153887030 793268776 /nfs/dbraw/zinc/26/87/76/793268776.db2.gz MYUDKEHNGAECDJ-JTQLQIEISA-N 1 0 333.410 -1.430 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153887031 793270158 /nfs/dbraw/zinc/27/01/58/793270158.db2.gz MYUDKEHNGAECDJ-SNVBAGLBSA-N 1 0 333.410 -1.430 20 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/nfs/dbraw/zinc/27/07/57/793270757.db2.gz REHGQBJUTMLVQL-JQWIXIFHSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001153887298 793270609 /nfs/dbraw/zinc/27/06/09/793270609.db2.gz REHGQBJUTMLVQL-PWSUYJOCSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001153887299 793269761 /nfs/dbraw/zinc/26/97/61/793269761.db2.gz REHGQBJUTMLVQL-ZYHUDNBSSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)NCC(F)(F)F ZINC001153887341 793269944 /nfs/dbraw/zinc/26/99/44/793269944.db2.gz SGTGBRYGTZYFHE-SSDOTTSWSA-N 1 0 338.286 -1.577 20 0 EAADRO O=C(C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)NCC(F)(F)F ZINC001153887342 793271761 /nfs/dbraw/zinc/27/17/61/793271761.db2.gz SGTGBRYGTZYFHE-ZETCQYMHSA-N 1 0 338.286 -1.577 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153887464 793271152 /nfs/dbraw/zinc/27/11/52/793271152.db2.gz XAKLAEFVCABCNE-JTQLQIEISA-N 1 0 328.369 -2.102 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153887465 793271049 /nfs/dbraw/zinc/27/10/49/793271049.db2.gz XAKLAEFVCABCNE-SNVBAGLBSA-N 1 0 328.369 -2.102 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)on1 ZINC001153887508 793271960 /nfs/dbraw/zinc/27/19/60/793271960.db2.gz YJDUZBBOWQSBAZ-SECBINFHSA-N 1 0 337.336 -1.320 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)on1 ZINC001153887509 793269677 /nfs/dbraw/zinc/26/96/77/793269677.db2.gz YJDUZBBOWQSBAZ-VIFPVBQESA-N 1 0 337.336 -1.320 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153887539 793270032 /nfs/dbraw/zinc/27/00/32/793270032.db2.gz ZSIBHSSXTZZRKF-JTQLQIEISA-N 1 0 348.425 -1.974 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153887540 793270294 /nfs/dbraw/zinc/27/02/94/793270294.db2.gz ZSIBHSSXTZZRKF-SNVBAGLBSA-N 1 0 348.425 -1.974 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001153887541 793271948 /nfs/dbraw/zinc/27/19/48/793271948.db2.gz ZTSKIPKECUPDIN-SECBINFHSA-N 1 0 339.352 -2.313 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001153887542 793271798 /nfs/dbraw/zinc/27/17/98/793271798.db2.gz ZTSKIPKECUPDIN-VIFPVBQESA-N 1 0 339.352 -2.313 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)cc1=O ZINC001153890108 793271079 /nfs/dbraw/zinc/27/10/79/793271079.db2.gz AHWVMAGILYJYAT-SECBINFHSA-N 1 0 337.332 -1.093 20 0 EAADRO COc1coc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)cc1=O ZINC001153890112 793270441 /nfs/dbraw/zinc/27/04/41/793270441.db2.gz AHWVMAGILYJYAT-VIFPVBQESA-N 1 0 337.332 -1.093 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890164 793271017 /nfs/dbraw/zinc/27/10/17/793271017.db2.gz BIVLXYUNPCQHKK-HTQZYQBOSA-N 1 0 327.341 -2.411 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890171 793271312 /nfs/dbraw/zinc/27/13/12/793271312.db2.gz BIVLXYUNPCQHKK-JGVFFNPUSA-N 1 0 327.341 -2.411 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890172 793271901 /nfs/dbraw/zinc/27/19/01/793271901.db2.gz BIVLXYUNPCQHKK-SFYZADRCSA-N 1 0 327.341 -2.411 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890174 793270827 /nfs/dbraw/zinc/27/08/27/793270827.db2.gz BIVLXYUNPCQHKK-YUMQZZPRSA-N 1 0 327.341 -2.411 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890347 793270895 /nfs/dbraw/zinc/27/08/95/793270895.db2.gz DZVOLCOVIRMAQX-LLVKDONJSA-N 1 0 347.437 -1.042 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890348 793270469 /nfs/dbraw/zinc/27/04/69/793270469.db2.gz DZVOLCOVIRMAQX-NSHDSACASA-N 1 0 347.437 -1.042 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001153890490 793270988 /nfs/dbraw/zinc/27/09/88/793270988.db2.gz KHFHJYLZHOSOJS-MRVPVSSYSA-N 1 0 339.377 -1.160 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001153890491 793271141 /nfs/dbraw/zinc/27/11/41/793271141.db2.gz KHFHJYLZHOSOJS-QMMMGPOBSA-N 1 0 339.377 -1.160 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890579 793270810 /nfs/dbraw/zinc/27/08/10/793270810.db2.gz OBVZBOCFJUPNPW-GHMZBOCLSA-N 1 0 342.396 -1.714 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890580 793271008 /nfs/dbraw/zinc/27/10/08/793271008.db2.gz OBVZBOCFJUPNPW-MNOVXSKESA-N 1 0 342.396 -1.714 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890581 793271931 /nfs/dbraw/zinc/27/19/31/793271931.db2.gz OBVZBOCFJUPNPW-QWRGUYRKSA-N 1 0 342.396 -1.714 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890582 793269746 /nfs/dbraw/zinc/26/97/46/793269746.db2.gz OBVZBOCFJUPNPW-WDEREUQCSA-N 1 0 342.396 -1.714 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890634 793270667 /nfs/dbraw/zinc/27/06/67/793270667.db2.gz QCMCMDNDFNJSPJ-NEPJUHHUSA-N 1 0 329.397 -1.222 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890635 793270957 /nfs/dbraw/zinc/27/09/57/793270957.db2.gz QCMCMDNDFNJSPJ-NWDGAFQWSA-N 1 0 329.397 -1.222 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890636 793270394 /nfs/dbraw/zinc/27/03/94/793270394.db2.gz QCMCMDNDFNJSPJ-RYUDHWBXSA-N 1 0 329.397 -1.222 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890637 793271395 /nfs/dbraw/zinc/27/13/95/793271395.db2.gz QCMCMDNDFNJSPJ-VXGBXAGGSA-N 1 0 329.397 -1.222 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890747 793270311 /nfs/dbraw/zinc/27/03/11/793270311.db2.gz UFCVQGJZWZPXAP-GHMZBOCLSA-N 1 0 326.397 -1.094 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890748 793270870 /nfs/dbraw/zinc/27/08/70/793270870.db2.gz UFCVQGJZWZPXAP-MNOVXSKESA-N 1 0 326.397 -1.094 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890749 793271565 /nfs/dbraw/zinc/27/15/65/793271565.db2.gz UFCVQGJZWZPXAP-QWRGUYRKSA-N 1 0 326.397 -1.094 20 0 EAADRO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890750 793269718 /nfs/dbraw/zinc/26/97/18/793269718.db2.gz UFCVQGJZWZPXAP-WDEREUQCSA-N 1 0 326.397 -1.094 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)CS(C)(=O)=O ZINC001153890848 793270563 /nfs/dbraw/zinc/27/05/63/793270563.db2.gz XFWYTLODLWIAQS-NXEZZACHSA-N 1 0 333.410 -1.574 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)CS(C)(=O)=O ZINC001153890849 793270428 /nfs/dbraw/zinc/27/04/28/793270428.db2.gz XFWYTLODLWIAQS-UWVGGRQHSA-N 1 0 333.410 -1.574 20 0 EAADRO C[C@@H](C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)CS(C)(=O)=O ZINC001153890850 793270598 /nfs/dbraw/zinc/27/05/98/793270598.db2.gz XFWYTLODLWIAQS-VHSXEESVSA-N 1 0 333.410 -1.574 20 0 EAADRO C[C@H](C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)CS(C)(=O)=O ZINC001153890851 793271122 /nfs/dbraw/zinc/27/11/22/793271122.db2.gz XFWYTLODLWIAQS-ZJUUUORDSA-N 1 0 333.410 -1.574 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc2nnn(C)c21 ZINC001153900673 793271160 /nfs/dbraw/zinc/27/11/60/793271160.db2.gz AJQGWYYDUPPBAZ-UHFFFAOYSA-N 1 0 333.352 -1.257 20 0 EAADRO Cn1nnc2cccc(C(=O)NCC[NH2+]CCN3C(=O)CNC3=O)c21 ZINC001153900861 793271524 /nfs/dbraw/zinc/27/15/24/793271524.db2.gz KGOKMCPNTTUCSA-UHFFFAOYSA-N 1 0 345.363 -1.161 20 0 EAADRO Cn1nnc2cccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)c21 ZINC001153900936 793270969 /nfs/dbraw/zinc/27/09/69/793270969.db2.gz NMOCOYJYJXOKBM-UHFFFAOYSA-N 1 0 340.409 -1.163 20 0 EAADRO C[C@@]1(CCC(=O)NCC[NH2+]CCNS(C)(=O)=O)CCC(=O)N1 ZINC001153905257 793270884 /nfs/dbraw/zinc/27/08/84/793270884.db2.gz AOHQVTHKQRTACR-CYBMUJFWSA-N 1 0 334.442 -1.310 20 0 EAADRO C[C@]1(CCC(=O)NCC[NH2+]CCNS(C)(=O)=O)CCC(=O)N1 ZINC001153905258 793270766 /nfs/dbraw/zinc/27/07/66/793270766.db2.gz AOHQVTHKQRTACR-ZDUSSCGKSA-N 1 0 334.442 -1.310 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)NC(N)=O ZINC001153905607 793271341 /nfs/dbraw/zinc/27/13/41/793271341.db2.gz HDLPIXCRHQLTIU-LKFCYVNXSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)NC(N)=O ZINC001153905608 793271171 /nfs/dbraw/zinc/27/11/71/793271171.db2.gz HDLPIXCRHQLTIU-OTYXRUKQSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)NC(N)=O ZINC001153905609 793270943 /nfs/dbraw/zinc/27/09/43/793270943.db2.gz HDLPIXCRHQLTIU-XPTSAGLGSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)NC(N)=O ZINC001153905610 793270797 /nfs/dbraw/zinc/27/07/97/793270797.db2.gz HDLPIXCRHQLTIU-YMTOWFKASA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@]1(CCC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCC(=O)N1 ZINC001153905885 793271026 /nfs/dbraw/zinc/27/10/26/793271026.db2.gz LDBBAILFFFHHAK-HNNXBMFYSA-N 1 0 339.396 -1.307 20 0 EAADRO C[C@@]1(CCC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCC(=O)N1 ZINC001153905887 793269825 /nfs/dbraw/zinc/26/98/25/793269825.db2.gz LDBBAILFFFHHAK-OAHLLOKOSA-N 1 0 339.396 -1.307 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001153905901 793270483 /nfs/dbraw/zinc/27/04/83/793270483.db2.gz LNOOGDIERNVJDE-BMIGLBTASA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001153905903 793270999 /nfs/dbraw/zinc/27/09/99/793270999.db2.gz LNOOGDIERNVJDE-BONVTDFDSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001153905904 793270929 /nfs/dbraw/zinc/27/09/29/793270929.db2.gz LNOOGDIERNVJDE-MEBBXXQBSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001153905905 793270780 /nfs/dbraw/zinc/27/07/80/793270780.db2.gz LNOOGDIERNVJDE-ZUZCIYMTSA-N 1 0 341.412 -1.015 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001153907000 793271126 /nfs/dbraw/zinc/27/11/26/793271126.db2.gz JDUMDODOLHNZNN-SNVBAGLBSA-N 1 0 341.412 -1.124 20 0 EAADRO C[C@]1(CCC(=O)NCC[NH2+]CC(=O)N2CCOCC2)CCC(=O)N1 ZINC001153911120 793270745 /nfs/dbraw/zinc/27/07/45/793270745.db2.gz GXFJYQIYAXFJSW-INIZCTEOSA-N 1 0 340.424 -1.000 20 0 EAADRO C[C@@]1(CCC(=O)NCC[NH2+]CC(=O)N2CCOCC2)CCC(=O)N1 ZINC001153911121 793270241 /nfs/dbraw/zinc/27/02/41/793270241.db2.gz GXFJYQIYAXFJSW-MRXNPFEDSA-N 1 0 340.424 -1.000 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)c1cccc2nnn(C)c21)C(=O)NC(N)=O ZINC001153911157 793270904 /nfs/dbraw/zinc/27/09/04/793270904.db2.gz HXNKGUDLDVXTNT-MRVPVSSYSA-N 1 0 333.352 -1.129 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)c1cccc2nnn(C)c21)C(=O)NC(N)=O ZINC001153911158 793271438 /nfs/dbraw/zinc/27/14/38/793271438.db2.gz HXNKGUDLDVXTNT-QMMMGPOBSA-N 1 0 333.352 -1.129 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001153911538 793271040 /nfs/dbraw/zinc/27/10/40/793271040.db2.gz SBVHJIKJQYIOIH-HNNXBMFYSA-N 1 0 341.412 -1.013 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001153911541 793270219 /nfs/dbraw/zinc/27/02/19/793270219.db2.gz SBVHJIKJQYIOIH-OAHLLOKOSA-N 1 0 341.412 -1.013 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001153911790 793271846 /nfs/dbraw/zinc/27/18/46/793271846.db2.gz XZVYDNWUCDYFCX-AWEZNQCLSA-N 1 0 327.385 -1.403 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001153911792 793270406 /nfs/dbraw/zinc/27/04/06/793270406.db2.gz XZVYDNWUCDYFCX-CQSZACIVSA-N 1 0 327.385 -1.403 20 0 EAADRO CCOc1cccnc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001153916604 793271087 /nfs/dbraw/zinc/27/10/87/793271087.db2.gz RZWRQCRIBLMNHR-UHFFFAOYSA-N 1 0 349.391 -1.242 20 0 EAADRO NS(=O)(=O)CCCCCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001153945681 791448303 /nfs/dbraw/zinc/44/83/03/791448303.db2.gz BTTLURYCRHPTAS-LLVKDONJSA-N 1 0 334.442 -1.180 20 0 EAADRO NS(=O)(=O)CCCCCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001153945682 791447930 /nfs/dbraw/zinc/44/79/30/791447930.db2.gz BTTLURYCRHPTAS-NSHDSACASA-N 1 0 334.442 -1.180 20 0 EAADRO NS(=O)(=O)CCCCCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001153945690 791447904 /nfs/dbraw/zinc/44/79/04/791447904.db2.gz 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EAADRO CC(=O)NCC(=O)NCCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001154204498 793277478 /nfs/dbraw/zinc/27/74/78/793277478.db2.gz USURGCGVTYGWLM-UHFFFAOYSA-N 1 0 349.391 -1.044 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCCNC(=O)CNC(C)=O ZINC001154204544 793277388 /nfs/dbraw/zinc/27/73/88/793277388.db2.gz XGVPJMWSKCAIDI-UHFFFAOYSA-N 1 0 343.428 -1.797 20 0 EAADRO CC(=O)NCC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001154204578 793276430 /nfs/dbraw/zinc/27/64/30/793276430.db2.gz YXJDKCIHMZDJMJ-UHFFFAOYSA-N 1 0 325.369 -2.184 20 0 EAADRO CC(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001154204605 793276501 /nfs/dbraw/zinc/27/65/01/793276501.db2.gz ZUVXVCAZNMYNKH-UHFFFAOYSA-N 1 0 343.428 -1.751 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001154205578 793276315 /nfs/dbraw/zinc/27/63/15/793276315.db2.gz RFOJSPDCESVXAB-NEPJUHHUSA-N 1 0 342.396 -1.217 20 0 EAADRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001154205579 793277421 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CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)CNC(N)=O)C1 ZINC001154460487 793280632 /nfs/dbraw/zinc/28/06/32/793280632.db2.gz WVEMDWDOCZMDKS-SNVBAGLBSA-N 1 0 335.430 -1.968 20 0 EAADRO CS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)CNC(N)=O)o1 ZINC001154460490 793279363 /nfs/dbraw/zinc/27/93/63/793279363.db2.gz WXGYZPPYXKQBRK-UHFFFAOYSA-N 1 0 332.382 -1.053 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)CNC(N)=O)C2=O)cn1 ZINC001154463549 793279805 /nfs/dbraw/zinc/27/98/05/793279805.db2.gz ACJPQEBYFJKTAC-LLVKDONJSA-N 1 0 337.384 -1.710 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)CNC(N)=O)C2=O)cn1 ZINC001154463550 793280710 /nfs/dbraw/zinc/28/07/10/793280710.db2.gz ACJPQEBYFJKTAC-NSHDSACASA-N 1 0 337.384 -1.710 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001154463565 793280540 /nfs/dbraw/zinc/28/05/40/793280540.db2.gz BBJBQNKIHZFCBK-LLVKDONJSA-N 1 0 339.400 -1.421 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001154463566 793280726 /nfs/dbraw/zinc/28/07/26/793280726.db2.gz BBJBQNKIHZFCBK-NSHDSACASA-N 1 0 339.400 -1.421 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001154463631 793279709 /nfs/dbraw/zinc/27/97/09/793279709.db2.gz DIQQBINUJABKFU-UHFFFAOYSA-N 1 0 342.400 -2.526 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)CNC(N)=O ZINC001154463758 793280599 /nfs/dbraw/zinc/28/05/99/793280599.db2.gz FEBBBAIPVFCVDT-UHFFFAOYSA-N 1 0 338.430 -1.798 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154463828 793280170 /nfs/dbraw/zinc/28/01/70/793280170.db2.gz HYJQMSHXXINBES-UHFFFAOYSA-N 1 0 330.389 -1.768 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154463878 791471460 /nfs/dbraw/zinc/47/14/60/791471460.db2.gz KBXSEIOSQIGVSM-UHFFFAOYSA-N 1 0 330.389 -1.625 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)CNC(N)=O)C2=O)n1 ZINC001154463892 793280448 /nfs/dbraw/zinc/28/04/48/793280448.db2.gz KXINHSGNCMRKKZ-JTQLQIEISA-N 1 0 337.384 -1.710 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)CNC(N)=O)C2=O)n1 ZINC001154463893 793279394 /nfs/dbraw/zinc/27/93/94/793279394.db2.gz KXINHSGNCMRKKZ-SNVBAGLBSA-N 1 0 337.384 -1.710 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)CNC(N)=O)c1nccs1 ZINC001154464174 791471141 /nfs/dbraw/zinc/47/11/41/791471141.db2.gz NXMYSBCBMUQKRY-UHFFFAOYSA-N 1 0 328.398 -1.130 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154464185 793279778 /nfs/dbraw/zinc/27/97/78/793279778.db2.gz OWZCQPDVINLZIL-UHFFFAOYSA-N 1 0 339.400 -1.857 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001154464399 793280625 /nfs/dbraw/zinc/28/06/25/793280625.db2.gz TVAGKLLKFOIDGO-MRVPVSSYSA-N 1 0 339.318 -1.086 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001154464400 793280268 /nfs/dbraw/zinc/28/02/68/793280268.db2.gz TVAGKLLKFOIDGO-QMMMGPOBSA-N 1 0 339.318 -1.086 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001154464424 793280261 /nfs/dbraw/zinc/28/02/61/793280261.db2.gz UKICJJJWRWAFOE-SECBINFHSA-N 1 0 329.357 -2.740 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001154464425 793279792 /nfs/dbraw/zinc/27/97/92/793279792.db2.gz UKICJJJWRWAFOE-VIFPVBQESA-N 1 0 329.357 -2.740 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001154464472 793280578 /nfs/dbraw/zinc/28/05/78/793280578.db2.gz VGWRUFBIQOISII-UHFFFAOYSA-N 1 0 332.368 -1.074 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)CNC(N)=O)n1 ZINC001154464593 793280766 /nfs/dbraw/zinc/28/07/66/793280766.db2.gz XLUJZZKIARFOAI-UHFFFAOYSA-N 1 0 326.405 -1.265 20 0 EAADRO CCCn1nccc1NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154464633 793280646 /nfs/dbraw/zinc/28/06/46/793280646.db2.gz YVAZHMALQAAPBE-UHFFFAOYSA-N 1 0 339.400 -1.004 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154466566 793280836 /nfs/dbraw/zinc/28/08/36/793280836.db2.gz AGIPIFJRGRXMAM-UHFFFAOYSA-N 1 0 330.389 -1.624 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NC[C@H]1CCCO1 ZINC001154466591 793279733 /nfs/dbraw/zinc/27/97/33/793279733.db2.gz AIBICLBGPWOKGA-GHMZBOCLSA-N 1 0 329.401 -1.566 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NC[C@@H]1CCCO1 ZINC001154466597 793280076 /nfs/dbraw/zinc/28/00/76/793280076.db2.gz AIBICLBGPWOKGA-MNOVXSKESA-N 1 0 329.401 -1.566 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NC[C@@H]1CCCO1 ZINC001154466598 793280510 /nfs/dbraw/zinc/28/05/10/793280510.db2.gz AIBICLBGPWOKGA-QWRGUYRKSA-N 1 0 329.401 -1.566 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NC[C@H]1CCCO1 ZINC001154466600 793280463 /nfs/dbraw/zinc/28/04/63/793280463.db2.gz AIBICLBGPWOKGA-WDEREUQCSA-N 1 0 329.401 -1.566 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154466610 793280758 /nfs/dbraw/zinc/28/07/58/793280758.db2.gz AJQDGYYZNIBWAO-SECBINFHSA-N 1 0 330.389 -1.627 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154466612 793280748 /nfs/dbraw/zinc/28/07/48/793280748.db2.gz AJQDGYYZNIBWAO-VIFPVBQESA-N 1 0 330.389 -1.627 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001154466710 793280504 /nfs/dbraw/zinc/28/05/04/793280504.db2.gz CFNZBJNCMWHQDN-JTQLQIEISA-N 1 0 342.400 -2.526 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001154466713 793280143 /nfs/dbraw/zinc/28/01/43/793280143.db2.gz CFNZBJNCMWHQDN-SNVBAGLBSA-N 1 0 342.400 -2.526 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154466752 793280410 /nfs/dbraw/zinc/28/04/10/793280410.db2.gz CTUPGSDADQEFIJ-SECBINFHSA-N 1 0 346.388 -2.389 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154466755 793280393 /nfs/dbraw/zinc/28/03/93/793280393.db2.gz CTUPGSDADQEFIJ-VIFPVBQESA-N 1 0 346.388 -2.389 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)CNC(N)=O)CC1 ZINC001154467061 793280862 /nfs/dbraw/zinc/28/08/62/793280862.db2.gz FBYCAGSZWZCYKK-UHFFFAOYSA-N 1 0 342.400 -2.559 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467113 793280775 /nfs/dbraw/zinc/28/07/75/793280775.db2.gz GXWCEFRDAGQTSX-UHFFFAOYSA-N 1 0 345.444 -1.071 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001154467367 793279723 /nfs/dbraw/zinc/27/97/23/793279723.db2.gz ISNDTDCMXBRQKF-LLVKDONJSA-N 1 0 332.401 -1.693 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001154467368 793279511 /nfs/dbraw/zinc/27/95/11/793279511.db2.gz ISNDTDCMXBRQKF-NSHDSACASA-N 1 0 332.401 -1.693 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467381 793280304 /nfs/dbraw/zinc/28/03/04/793280304.db2.gz JDWJLDHWUZQANM-UHFFFAOYSA-N 1 0 331.417 -1.318 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O)n(C)n1 ZINC001154467383 793280276 /nfs/dbraw/zinc/28/02/76/793280276.db2.gz JGPPMGDQKJMFSG-UHFFFAOYSA-N 1 0 325.373 -1.569 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001154467388 793280162 /nfs/dbraw/zinc/28/01/62/793280162.db2.gz JNBMYRDVUXMRCQ-NEPJUHHUSA-N 1 0 332.401 -1.693 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001154467389 793279573 /nfs/dbraw/zinc/27/95/73/793279573.db2.gz JNBMYRDVUXMRCQ-NWDGAFQWSA-N 1 0 332.401 -1.693 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001154467390 793280153 /nfs/dbraw/zinc/28/01/53/793280153.db2.gz JNBMYRDVUXMRCQ-RYUDHWBXSA-N 1 0 332.401 -1.693 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001154467391 793280389 /nfs/dbraw/zinc/28/03/89/793280389.db2.gz JNBMYRDVUXMRCQ-VXGBXAGGSA-N 1 0 332.401 -1.693 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O)C(=O)N(C)C ZINC001154467414 793280046 /nfs/dbraw/zinc/28/00/46/793280046.db2.gz KXWJVQHLVDEHCN-SECBINFHSA-N 1 0 330.389 -2.657 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O)C(=O)N(C)C ZINC001154467415 793280794 /nfs/dbraw/zinc/28/07/94/793280794.db2.gz KXWJVQHLVDEHCN-VIFPVBQESA-N 1 0 330.389 -2.657 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467572 793280639 /nfs/dbraw/zinc/28/06/39/793280639.db2.gz NLEGRCVCSRVIMP-LLVKDONJSA-N 1 0 331.417 -1.318 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467574 793280378 /nfs/dbraw/zinc/28/03/78/793280378.db2.gz NLEGRCVCSRVIMP-NSHDSACASA-N 1 0 331.417 -1.318 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NCC(F)(F)F ZINC001154467705 793280751 /nfs/dbraw/zinc/28/07/51/793280751.db2.gz PCDOCDVSDRVMMV-SSDOTTSWSA-N 1 0 327.307 -1.182 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NCC(F)(F)F ZINC001154467706 793279870 /nfs/dbraw/zinc/27/98/70/793279870.db2.gz PCDOCDVSDRVMMV-ZETCQYMHSA-N 1 0 327.307 -1.182 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001154467727 793280809 /nfs/dbraw/zinc/28/08/09/793280809.db2.gz PMRAMFACCKROGB-MRVPVSSYSA-N 1 0 328.373 -1.873 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CNC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001154467728 793281946 /nfs/dbraw/zinc/28/19/46/793281946.db2.gz PMRAMFACCKROGB-QMMMGPOBSA-N 1 0 328.373 -1.873 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467730 793282262 /nfs/dbraw/zinc/28/22/62/793282262.db2.gz PNMWTTQLFAHEGP-UHFFFAOYSA-N 1 0 344.416 -2.265 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467748 793281613 /nfs/dbraw/zinc/28/16/13/793281613.db2.gz QARQVDMCANTWHD-UHFFFAOYSA-N 1 0 327.307 -1.229 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467780 793281533 /nfs/dbraw/zinc/28/15/33/793281533.db2.gz QMDVWNGFDJZUHL-JTQLQIEISA-N 1 0 344.416 -1.379 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467784 793281655 /nfs/dbraw/zinc/28/16/55/793281655.db2.gz QMDVWNGFDJZUHL-SNVBAGLBSA-N 1 0 344.416 -1.379 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001154467809 793282110 /nfs/dbraw/zinc/28/21/10/793282110.db2.gz QUMOJRLQAWNDQA-UHFFFAOYSA-N 1 0 346.395 -1.014 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)CNC(N)=O)C1=O ZINC001154467818 793282226 /nfs/dbraw/zinc/28/22/26/793282226.db2.gz QXJPYMQSBBMDAV-UHFFFAOYSA-N 1 0 328.373 -1.919 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)CNC(N)=O)cc(=O)n(C)c1=O ZINC001154467830 793282021 /nfs/dbraw/zinc/28/20/21/793282021.db2.gz 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ZINC001154468167 793282140 /nfs/dbraw/zinc/28/21/40/793282140.db2.gz XTXHTMGGEHXTBB-UHFFFAOYSA-N 1 0 342.400 -1.529 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001154468187 793282616 /nfs/dbraw/zinc/28/26/16/793282616.db2.gz YOPYUHNRINQTTQ-LLVKDONJSA-N 1 0 328.369 -1.079 20 0 EAADRO NC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001154468190 793282012 /nfs/dbraw/zinc/28/20/12/793282012.db2.gz YOPYUHNRINQTTQ-NSHDSACASA-N 1 0 328.369 -1.079 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154468247 793281758 /nfs/dbraw/zinc/28/17/58/793281758.db2.gz ZWTWEVRDCHTPTQ-UHFFFAOYSA-N 1 0 339.400 -1.260 20 0 EAADRO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154468749 793281886 /nfs/dbraw/zinc/28/18/86/793281886.db2.gz BHUBWOXSQSTMHJ-LLVKDONJSA-N 1 0 347.445 -1.842 20 0 EAADRO CC[N@H+](CCn1cccn1)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154468943 793281745 /nfs/dbraw/zinc/28/17/45/793281745.db2.gz IAKUARYCGDZOCI-GFCCVEGCSA-N 1 0 346.457 -1.237 20 0 EAADRO 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O=C(CN1CCCC1=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001154499867 793282249 /nfs/dbraw/zinc/28/22/49/793282249.db2.gz VYRYXLYAZLBNEG-UHFFFAOYSA-N 1 0 326.397 -1.437 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)CN1CCCC1=O)NC[C@H]1CCCO1 ZINC001154499893 793281871 /nfs/dbraw/zinc/28/18/71/793281871.db2.gz WNHOQGSAQMVMRW-CYBMUJFWSA-N 1 0 340.424 -1.000 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)CN1CCCC1=O)NC[C@@H]1CCCO1 ZINC001154499894 793281702 /nfs/dbraw/zinc/28/17/02/793281702.db2.gz WNHOQGSAQMVMRW-ZDUSSCGKSA-N 1 0 340.424 -1.000 20 0 EAADRO O=C(CN1CCCC1=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001154500101 793282722 /nfs/dbraw/zinc/28/27/22/793282722.db2.gz ZWGFOWTYQHSCBJ-UHFFFAOYSA-N 1 0 339.396 -2.337 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1cnnn1)Nc1nncs1 ZINC001154502031 791471799 /nfs/dbraw/zinc/47/17/99/791471799.db2.gz AENCOPQTPCYHHG-UHFFFAOYSA-N 1 0 325.358 -1.741 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1cnnn1)NCc1cccnc1 ZINC001154502033 793282690 /nfs/dbraw/zinc/28/26/90/793282690.db2.gz AEXJATIGCTXYNW-UHFFFAOYSA-N 1 0 332.368 -1.520 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001154502161 793282649 /nfs/dbraw/zinc/28/26/49/793282649.db2.gz BQUBZAYPXLKONJ-UHFFFAOYSA-N 1 0 331.402 -2.196 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502212 793281682 /nfs/dbraw/zinc/28/16/82/793281682.db2.gz CIVICDALQQCAHP-NEPJUHHUSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502223 793281770 /nfs/dbraw/zinc/28/17/70/793281770.db2.gz CIVICDALQQCAHP-NWDGAFQWSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502226 793281862 /nfs/dbraw/zinc/28/18/62/793281862.db2.gz CIVICDALQQCAHP-RYUDHWBXSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502228 793281711 /nfs/dbraw/zinc/28/17/11/793281711.db2.gz CIVICDALQQCAHP-VXGBXAGGSA-N 1 0 330.389 -1.819 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)Cn2cnnn2)C1 ZINC001154502244 793282661 /nfs/dbraw/zinc/28/26/61/793282661.db2.gz CNVHERHMPYKFEC-LLVKDONJSA-N 1 0 345.429 -1.950 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)Cn2cnnn2)C1 ZINC001154502260 793282672 /nfs/dbraw/zinc/28/26/72/793282672.db2.gz CNVHERHMPYKFEC-NSHDSACASA-N 1 0 345.429 -1.950 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502330 793281927 /nfs/dbraw/zinc/28/19/27/793281927.db2.gz FBEABZQISPDAQZ-UHFFFAOYSA-N 1 0 326.361 -1.995 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001154502622 793283834 /nfs/dbraw/zinc/28/38/34/793283834.db2.gz HPOHVPZDHJZJAQ-SECBINFHSA-N 1 0 340.306 -1.291 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001154502625 793283475 /nfs/dbraw/zinc/28/34/75/793283475.db2.gz HPOHVPZDHJZJAQ-VIFPVBQESA-N 1 0 340.306 -1.291 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)Nc1ncccn1 ZINC001154502649 793283204 /nfs/dbraw/zinc/28/32/04/793283204.db2.gz JBVVPZNFWCSEOU-JTQLQIEISA-N 1 0 333.356 -1.414 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)Nc1ncccn1 ZINC001154502650 793283073 /nfs/dbraw/zinc/28/30/73/793283073.db2.gz JBVVPZNFWCSEOU-SNVBAGLBSA-N 1 0 333.356 -1.414 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001154502651 793284449 /nfs/dbraw/zinc/28/44/49/793284449.db2.gz JCPVRERWXPCHDZ-UHFFFAOYSA-N 1 0 348.293 -1.482 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502930 793283844 /nfs/dbraw/zinc/28/38/44/793283844.db2.gz KJTTZYULLPMPTP-UHFFFAOYSA-N 1 0 333.418 -1.902 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502937 793283056 /nfs/dbraw/zinc/28/30/56/793283056.db2.gz KNYYCQKQFJLSRX-UHFFFAOYSA-N 1 0 326.405 -1.133 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001154502967 793283967 /nfs/dbraw/zinc/28/39/67/793283967.db2.gz LWUTZVKFHCQKRU-UHFFFAOYSA-N 1 0 337.306 -1.162 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001154503037 793283326 /nfs/dbraw/zinc/28/33/26/793283326.db2.gz NONDDZWKGHSJGH-UHFFFAOYSA-N 1 0 330.414 -1.406 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)Cn2cnnn2)s1 ZINC001154503042 793283033 /nfs/dbraw/zinc/28/30/33/793283033.db2.gz NYJOGHIFPVFFNY-UHFFFAOYSA-N 1 0 339.385 -1.432 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1cnnn1)NC1CCOCC1 ZINC001154503074 793283544 /nfs/dbraw/zinc/28/35/44/793283544.db2.gz OPDJPYXVDMIPFG-UHFFFAOYSA-N 1 0 325.373 -1.936 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001154503377 793284118 /nfs/dbraw/zinc/28/41/18/793284118.db2.gz RSEKWRKFSRDLPI-UHFFFAOYSA-N 1 0 344.339 -1.191 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001154503648 793283939 /nfs/dbraw/zinc/28/39/39/793283939.db2.gz WBLJJNWREXXRLK-LLVKDONJSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001154503649 793283669 /nfs/dbraw/zinc/28/36/69/793283669.db2.gz WBLJJNWREXXRLK-NSHDSACASA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001154503650 793284348 /nfs/dbraw/zinc/28/43/48/793284348.db2.gz WBZQENBLQHVXJN-NSHDSACASA-N 1 0 325.373 -2.248 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]CCCNC(=O)Cn1cnnn1)[nH]c2=O ZINC001154503655 793284023 /nfs/dbraw/zinc/28/40/23/793284023.db2.gz WGVBCZOGSJWVIA-UHFFFAOYSA-N 1 0 346.355 -1.649 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCCNC(=O)Cn2cnnn2)CC1 ZINC001154503668 791471948 /nfs/dbraw/zinc/47/19/48/791471948.db2.gz WYBJJYYZKOYZMO-UHFFFAOYSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001154503679 793284489 /nfs/dbraw/zinc/28/44/89/793284489.db2.gz XIYILNLYVKOHAQ-LLVKDONJSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001154503680 793284469 /nfs/dbraw/zinc/28/44/69/793284469.db2.gz XIYILNLYVKOHAQ-NSHDSACASA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]Cc1ncnn1CC(F)F ZINC001154503921 793283812 /nfs/dbraw/zinc/28/38/12/793283812.db2.gz ZDIJIRVEZSRYPL-UHFFFAOYSA-N 1 0 329.315 -1.174 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1cnnn1)NC[C@H]1CCCO1 ZINC001154503935 793284530 /nfs/dbraw/zinc/28/45/30/793284530.db2.gz ZRDSABSPCNBKIN-LLVKDONJSA-N 1 0 325.373 -1.936 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1cnnn1)NC[C@@H]1CCCO1 ZINC001154503936 793283131 /nfs/dbraw/zinc/28/31/31/793283131.db2.gz ZRDSABSPCNBKIN-NSHDSACASA-N 1 0 325.373 -1.936 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154505937 793284199 /nfs/dbraw/zinc/28/41/99/793284199.db2.gz AKKMAFYUFJRPFA-UHFFFAOYSA-N 1 0 335.372 -1.252 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2cnnn2)CCO1 ZINC001154505938 793284334 /nfs/dbraw/zinc/28/43/34/793284334.db2.gz AKOLMUZEZZZONC-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2cnnn2)CCO1 ZINC001154505939 793283067 /nfs/dbraw/zinc/28/30/67/793283067.db2.gz AKOLMUZEZZZONC-NSHDSACASA-N 1 0 325.373 -1.984 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCO1 ZINC001154505941 793283123 /nfs/dbraw/zinc/28/31/23/793283123.db2.gz ANASGSQHTVZLMZ-NEPJUHHUSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCO1 ZINC001154505942 793284015 /nfs/dbraw/zinc/28/40/15/793284015.db2.gz ANASGSQHTVZLMZ-NWDGAFQWSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCO1 ZINC001154505943 793283109 /nfs/dbraw/zinc/28/31/09/793283109.db2.gz ANASGSQHTVZLMZ-RYUDHWBXSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCO1 ZINC001154505944 793284008 /nfs/dbraw/zinc/28/40/08/793284008.db2.gz ANASGSQHTVZLMZ-VXGBXAGGSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)NCC(F)(F)F ZINC001154505987 793283785 /nfs/dbraw/zinc/28/37/85/793283785.db2.gz CUHKWBCYURRAMD-MRVPVSSYSA-N 1 0 337.306 -1.164 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1cnnn1)C(=O)NCC(F)(F)F ZINC001154505988 793283727 /nfs/dbraw/zinc/28/37/27/793283727.db2.gz CUHKWBCYURRAMD-QMMMGPOBSA-N 1 0 337.306 -1.164 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154505992 793283655 /nfs/dbraw/zinc/28/36/55/793283655.db2.gz CYAVVAJEDCYSBQ-UHFFFAOYSA-N 1 0 349.399 -1.839 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)Cn3cnnn3)C2=O)cn1 ZINC001154506079 793284177 /nfs/dbraw/zinc/28/41/77/793284177.db2.gz GPNKPCHQGOOUBF-GFCCVEGCSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)Cn3cnnn3)C2=O)cn1 ZINC001154506085 793283087 /nfs/dbraw/zinc/28/30/87/793283087.db2.gz GPNKPCHQGOOUBF-LBPRGKRZSA-N 1 0 347.383 -1.692 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001154506137 793283879 /nfs/dbraw/zinc/28/38/79/793283879.db2.gz HRVWHOFVXAMCFS-GFCCVEGCSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001154506140 793283345 /nfs/dbraw/zinc/28/33/45/793283345.db2.gz HRVWHOFVXAMCFS-LBPRGKRZSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001154506189 793283895 /nfs/dbraw/zinc/28/38/95/793283895.db2.gz IUGSWADUNGSXKM-UHFFFAOYSA-N 1 0 342.367 -1.055 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506205 793283791 /nfs/dbraw/zinc/28/37/91/793283791.db2.gz IWGNNUIGDOUGBW-UHFFFAOYSA-N 1 0 340.388 -1.749 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506209 793283630 /nfs/dbraw/zinc/28/36/30/793283630.db2.gz JBXMQKANOPXQJZ-JTQLQIEISA-N 1 0 340.388 -1.608 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506210 793284313 /nfs/dbraw/zinc/28/43/13/793284313.db2.gz JBXMQKANOPXQJZ-SNVBAGLBSA-N 1 0 340.388 -1.608 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)Cn2cnnn2)n1 ZINC001154506213 793283925 /nfs/dbraw/zinc/28/39/25/793283925.db2.gz JFFKNZYNCQMVPV-UHFFFAOYSA-N 1 0 336.404 -1.247 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506249 793283931 /nfs/dbraw/zinc/28/39/31/793283931.db2.gz KWTWSCNUGNNEQF-UHFFFAOYSA-N 1 0 333.418 -1.950 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001154506258 793284499 /nfs/dbraw/zinc/28/44/99/793284499.db2.gz LDOZPEPHZGWRPJ-JTQLQIEISA-N 1 0 339.356 -2.721 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001154506259 793283398 /nfs/dbraw/zinc/28/33/98/793283398.db2.gz LDOZPEPHZGWRPJ-SNVBAGLBSA-N 1 0 339.356 -2.721 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506287 793283700 /nfs/dbraw/zinc/28/37/00/793283700.db2.gz MHLGSCGXMLVQQU-UHFFFAOYSA-N 1 0 341.416 -1.300 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001154506528 793283953 /nfs/dbraw/zinc/28/39/53/793283953.db2.gz PABFRJXSLUXEDK-SECBINFHSA-N 1 0 349.317 -1.068 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001154506530 793283683 /nfs/dbraw/zinc/28/36/83/793283683.db2.gz PABFRJXSLUXEDK-VIFPVBQESA-N 1 0 349.317 -1.068 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)Cn3cnnn3)C2=O)n1 ZINC001154506537 793284035 /nfs/dbraw/zinc/28/40/35/793284035.db2.gz PFYXEKJUANDMEC-LLVKDONJSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)Cn3cnnn3)C2=O)n1 ZINC001154506538 793284360 /nfs/dbraw/zinc/28/43/60/793284360.db2.gz PFYXEKJUANDMEC-NSHDSACASA-N 1 0 347.383 -1.692 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506539 793283014 /nfs/dbraw/zinc/28/30/14/793283014.db2.gz PGVLWWIAPJSDQQ-UHFFFAOYSA-N 1 0 337.306 -1.210 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506543 793283772 /nfs/dbraw/zinc/28/37/72/793283772.db2.gz PIILIAYWIOAMJF-UHFFFAOYSA-N 1 0 348.429 -1.780 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001154506560 793283377 /nfs/dbraw/zinc/28/33/77/793283377.db2.gz PRNAAVLOXOTGGD-GFCCVEGCSA-N 1 0 349.399 -1.403 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001154506562 793283046 /nfs/dbraw/zinc/28/30/46/793283046.db2.gz PRNAAVLOXOTGGD-LBPRGKRZSA-N 1 0 349.399 -1.403 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506633 793283439 /nfs/dbraw/zinc/28/34/39/793283439.db2.gz RUXZNEHEHFLYJT-UHFFFAOYSA-N 1 0 340.388 -1.607 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506864 793283487 /nfs/dbraw/zinc/28/34/87/793283487.db2.gz UODRIJFJDYELRG-UHFFFAOYSA-N 1 0 349.399 -1.242 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1cnnn1)NC[C@H]1CCOC1 ZINC001154506877 793284434 /nfs/dbraw/zinc/28/44/34/793284434.db2.gz VALTULRFSNAGJI-LLVKDONJSA-N 1 0 325.373 -2.078 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1cnnn1)NC[C@@H]1CCOC1 ZINC001154506878 793283152 /nfs/dbraw/zinc/28/31/52/793283152.db2.gz VALTULRFSNAGJI-NSHDSACASA-N 1 0 325.373 -2.078 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)Cn1cnnn1)c1nccs1 ZINC001154506884 793283408 /nfs/dbraw/zinc/28/34/08/793283408.db2.gz VELITGSMAJBXLO-UHFFFAOYSA-N 1 0 338.397 -1.112 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001154506912 793283739 /nfs/dbraw/zinc/28/37/39/793283739.db2.gz WASMWNFMWKFVED-GFCCVEGCSA-N 1 0 338.368 -1.060 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001154506913 793283761 /nfs/dbraw/zinc/28/37/61/793283761.db2.gz WASMWNFMWKFVED-LBPRGKRZSA-N 1 0 338.368 -1.060 20 0 EAADRO CS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)Cn2cnnn2)o1 ZINC001154507076 793284509 /nfs/dbraw/zinc/28/45/09/793284509.db2.gz YAASJWSLABBMSU-UHFFFAOYSA-N 1 0 342.381 -1.034 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001154507088 793284050 /nfs/dbraw/zinc/28/40/50/793284050.db2.gz YBUKKCJWEBTSPN-CHWSQXEVSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001154507090 793284417 /nfs/dbraw/zinc/28/44/17/793284417.db2.gz YBUKKCJWEBTSPN-OLZOCXBDSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001154507091 793283987 /nfs/dbraw/zinc/28/39/87/793283987.db2.gz YBUKKCJWEBTSPN-QWHCGFSZSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1cnnn1)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001154507093 793283646 /nfs/dbraw/zinc/28/36/46/793283646.db2.gz YBUKKCJWEBTSPN-STQMWFEESA-N 1 0 342.400 -1.675 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2cnnn2)C[C@H](C)O1 ZINC001154507111 793284260 /nfs/dbraw/zinc/28/42/60/793284260.db2.gz YUNPYCXEYIDFFY-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2cnnn2)C[C@H](C)O1 ZINC001154507112 793283334 /nfs/dbraw/zinc/28/33/34/793283334.db2.gz YUNPYCXEYIDFFY-TXEJJXNPSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2cnnn2)C[C@@H](C)O1 ZINC001154507113 793284276 /nfs/dbraw/zinc/28/42/76/793284276.db2.gz YUNPYCXEYIDFFY-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154507118 793284480 /nfs/dbraw/zinc/28/44/80/793284480.db2.gz ZGAVCWNWXXOZFW-UHFFFAOYSA-N 1 0 332.430 -1.018 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)CN2CCCC2=O)CCO1 ZINC001154510054 793283959 /nfs/dbraw/zinc/28/39/59/793283959.db2.gz CNSGVFLNVAFQKJ-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)CN2CCCC2=O)CCO1 ZINC001154510055 793283312 /nfs/dbraw/zinc/28/33/12/793283312.db2.gz CNSGVFLNVAFQKJ-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)CN1CCCC1=O ZINC001154510084 793283801 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CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCCC1=O ZINC001154510475 793283172 /nfs/dbraw/zinc/28/31/72/793283172.db2.gz XYOYUELIRGNUQJ-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCCC1=O ZINC001154510476 793283188 /nfs/dbraw/zinc/28/31/88/793283188.db2.gz XYOYUELIRGNUQJ-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)cn1 ZINC001154520795 793283117 /nfs/dbraw/zinc/28/31/17/793283117.db2.gz FQAXBUZATRLDDD-GFCCVEGCSA-N 1 0 337.380 -1.361 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)cn1 ZINC001154520796 793283100 /nfs/dbraw/zinc/28/31/00/793283100.db2.gz FQAXBUZATRLDDD-LBPRGKRZSA-N 1 0 337.380 -1.361 20 0 EAADRO Cc1nnsc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001154521186 791472028 /nfs/dbraw/zinc/47/20/28/791472028.db2.gz YHYBNGGJHYLJKY-UHFFFAOYSA-N 1 0 340.409 -1.486 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC001154524384 793283565 /nfs/dbraw/zinc/28/35/65/793283565.db2.gz 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CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001154819716 786432977 /nfs/dbraw/zinc/43/29/77/786432977.db2.gz POXCXBNGHZNLFW-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001154820061 793288540 /nfs/dbraw/zinc/28/85/40/793288540.db2.gz WYKSQZZYALWOEY-UHFFFAOYSA-N 1 0 327.385 -2.481 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001154820145 793287982 /nfs/dbraw/zinc/28/79/82/793287982.db2.gz ZRNGLTMSXKRAGK-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001154820147 793288582 /nfs/dbraw/zinc/28/85/82/793288582.db2.gz ZRNGLTMSXKRAGK-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001154824206 793288363 /nfs/dbraw/zinc/28/83/63/793288363.db2.gz DPVXQVNBDYLWLF-UHFFFAOYSA-N 1 0 336.458 -1.158 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001154824298 793287447 /nfs/dbraw/zinc/28/74/47/793287447.db2.gz 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793287774 /nfs/dbraw/zinc/28/77/74/793287774.db2.gz TYXMZUSFDLVASM-UHFFFAOYSA-N 1 0 327.385 -1.498 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154824914 786433522 /nfs/dbraw/zinc/43/35/22/786433522.db2.gz VKVZBODKYHRBEL-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001154825164 793288410 /nfs/dbraw/zinc/28/84/10/793288410.db2.gz XKUNVKFFRSZJQB-CYBMUJFWSA-N 1 0 348.469 -1.158 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001154825165 793287639 /nfs/dbraw/zinc/28/76/39/793287639.db2.gz XKUNVKFFRSZJQB-ZDUSSCGKSA-N 1 0 348.469 -1.158 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154825178 793288656 /nfs/dbraw/zinc/28/86/56/793288656.db2.gz XUMSLDHIRURBDI-GXTWGEPZSA-N 1 0 333.429 -1.027 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154825179 793287796 /nfs/dbraw/zinc/28/77/96/793287796.db2.gz XUMSLDHIRURBDI-JSGCOSHPSA-N 1 0 333.429 -1.027 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154825180 793287668 /nfs/dbraw/zinc/28/76/68/793287668.db2.gz XUMSLDHIRURBDI-OCCSQVGLSA-N 1 0 333.429 -1.027 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154825181 793288547 /nfs/dbraw/zinc/28/85/47/793288547.db2.gz XUMSLDHIRURBDI-TZMCWYRMSA-N 1 0 333.429 -1.027 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001154825200 793287728 /nfs/dbraw/zinc/28/77/28/793287728.db2.gz YOQDNXCHYKAONS-CYBMUJFWSA-N 1 0 328.413 -1.287 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001154825201 793287765 /nfs/dbraw/zinc/28/77/65/793287765.db2.gz YOQDNXCHYKAONS-ZDUSSCGKSA-N 1 0 328.413 -1.287 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001154828766 793288014 /nfs/dbraw/zinc/28/80/14/793288014.db2.gz DXXJNLJTLXBRBC-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO CC(=O)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001154828767 793288589 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O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1COCCO1 ZINC001154856746 793288687 /nfs/dbraw/zinc/28/86/87/793288687.db2.gz BGVXTHSSAMSWDT-LLVKDONJSA-N 1 0 325.369 -1.180 20 0 EAADRO O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1COCCO1 ZINC001154856751 793287816 /nfs/dbraw/zinc/28/78/16/793287816.db2.gz BGVXTHSSAMSWDT-NSHDSACASA-N 1 0 325.369 -1.180 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COCCO1)NC[C@H]1CCCO1 ZINC001154856993 793288135 /nfs/dbraw/zinc/28/81/35/793288135.db2.gz CTDUTJMYYPJACR-CHWSQXEVSA-N 1 0 329.397 -1.207 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COCCO1)NC[C@H]1CCCO1 ZINC001154856995 793287421 /nfs/dbraw/zinc/28/74/21/793287421.db2.gz CTDUTJMYYPJACR-OLZOCXBDSA-N 1 0 329.397 -1.207 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COCCO1)NC[C@@H]1CCCO1 ZINC001154856996 793290239 /nfs/dbraw/zinc/29/02/39/793290239.db2.gz CTDUTJMYYPJACR-QWHCGFSZSA-N 1 0 329.397 -1.207 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COCCO1)NC[C@@H]1CCCO1 ZINC001154856998 793289433 /nfs/dbraw/zinc/28/94/33/793289433.db2.gz 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CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)[C@H]2COCCO2)C1 ZINC001154857731 793289279 /nfs/dbraw/zinc/28/92/79/793289279.db2.gz IKXQEQJCSHCXLT-QWHCGFSZSA-N 1 0 349.453 -1.221 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)[C@@H]2COCCO2)C1 ZINC001154857733 793289841 /nfs/dbraw/zinc/28/98/41/793289841.db2.gz IKXQEQJCSHCXLT-STQMWFEESA-N 1 0 349.453 -1.221 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1COCCO1 ZINC001154857786 793289323 /nfs/dbraw/zinc/28/93/23/793289323.db2.gz ITFTYVWFZQFQML-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1COCCO1 ZINC001154857788 793289941 /nfs/dbraw/zinc/28/99/41/793289941.db2.gz ITFTYVWFZQFQML-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1COCCO1 ZINC001154858486 793289769 /nfs/dbraw/zinc/28/97/69/793289769.db2.gz OUIIJRLEJHIAKU-QWHCGFSZSA-N 1 0 329.397 -1.519 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1COCCO1 ZINC001154858488 793290051 /nfs/dbraw/zinc/29/00/51/793290051.db2.gz 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COC(=O)NCC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001155138264 793293115 /nfs/dbraw/zinc/29/31/15/793293115.db2.gz SDSUOUWZJFCGQR-UHFFFAOYSA-N 1 0 338.430 -1.280 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001155138269 793292962 /nfs/dbraw/zinc/29/29/62/793292962.db2.gz SHQJJZABCMQOCR-LLVKDONJSA-N 1 0 330.385 -1.314 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001155138271 793294072 /nfs/dbraw/zinc/29/40/72/793294072.db2.gz SHQJJZABCMQOCR-NSHDSACASA-N 1 0 330.385 -1.314 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001155138473 793294045 /nfs/dbraw/zinc/29/40/45/793294045.db2.gz WPEGNLMCBKIAJR-UHFFFAOYSA-N 1 0 329.357 -1.620 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001155138599 793293969 /nfs/dbraw/zinc/29/39/69/793293969.db2.gz XUNZYEGYGVTENP-GFCCVEGCSA-N 1 0 347.412 -1.005 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001155138600 793293031 /nfs/dbraw/zinc/29/30/31/793293031.db2.gz 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786444427 /nfs/dbraw/zinc/44/44/27/786444427.db2.gz UDKFKKSLTURURU-LLVKDONJSA-N 1 0 332.401 -1.021 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)OC ZINC001155144011 786444575 /nfs/dbraw/zinc/44/45/75/786444575.db2.gz UDKFKKSLTURURU-NSHDSACASA-N 1 0 332.401 -1.021 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001155144054 793293730 /nfs/dbraw/zinc/29/37/30/793293730.db2.gz VRPYKCDXTCWICC-SECBINFHSA-N 1 0 343.384 -1.185 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001155144055 793293770 /nfs/dbraw/zinc/29/37/70/793293770.db2.gz VRPYKCDXTCWICC-VIFPVBQESA-N 1 0 343.384 -1.185 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001155144122 793293073 /nfs/dbraw/zinc/29/30/73/793293073.db2.gz YPCKZGRPGIFPDS-CHWSQXEVSA-N 1 0 347.412 -1.005 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001155144123 793294022 /nfs/dbraw/zinc/29/40/22/793294022.db2.gz YPCKZGRPGIFPDS-OLZOCXBDSA-N 1 0 347.412 -1.005 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001155144124 793292903 /nfs/dbraw/zinc/29/29/03/793292903.db2.gz YPCKZGRPGIFPDS-QWHCGFSZSA-N 1 0 347.412 -1.005 20 0 EAADRO COC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001155144125 793293178 /nfs/dbraw/zinc/29/31/78/793293178.db2.gz YPCKZGRPGIFPDS-STQMWFEESA-N 1 0 347.412 -1.005 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1ccon1)C(=O)N(C)C ZINC001155152722 793293987 /nfs/dbraw/zinc/29/39/87/793293987.db2.gz MFUYMQLVYMWBKI-JTQLQIEISA-N 1 0 325.369 -1.023 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1ccon1)C(=O)N(C)C ZINC001155152724 793294030 /nfs/dbraw/zinc/29/40/30/793294030.db2.gz MFUYMQLVYMWBKI-SNVBAGLBSA-N 1 0 325.369 -1.023 20 0 EAADRO CC[N@H+](CCCO)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001155160611 793293937 /nfs/dbraw/zinc/29/39/37/793293937.db2.gz KHPYWNVHNMWDTF-SECBINFHSA-N 1 0 333.414 -1.120 20 0 EAADRO CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001155160752 793292924 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342.440 -1.018 20 0 EAADRO CCNC(=O)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155673414 793301099 /nfs/dbraw/zinc/30/10/99/793301099.db2.gz ZCZOXEOTPYGCOH-UHFFFAOYSA-N 1 0 327.385 -1.450 20 0 EAADRO CCNC(=O)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001155684244 793300148 /nfs/dbraw/zinc/30/01/48/793300148.db2.gz OICAMIFNMOICHU-JTQLQIEISA-N 1 0 329.401 -1.157 20 0 EAADRO CCNC(=O)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001155684245 793300524 /nfs/dbraw/zinc/30/05/24/793300524.db2.gz OICAMIFNMOICHU-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cscn1)N1CCNC(=O)C1 ZINC001155684663 793301651 /nfs/dbraw/zinc/30/16/51/793301651.db2.gz ZCJPPMJCWCWILH-UHFFFAOYSA-N 1 0 325.394 -1.189 20 0 EAADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC(=O)N(C)C ZINC001155694193 793301375 /nfs/dbraw/zinc/30/13/75/793301375.db2.gz IEXMTQOFHADRHU-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO COC[C@@H](C)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001155695547 793301115 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O=C(C[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1)NC(=O)NC1CC1 ZINC001155741433 793299981 /nfs/dbraw/zinc/29/99/81/793299981.db2.gz SLQGKNJJQOWTBU-SNVBAGLBSA-N 1 0 325.369 -1.651 20 0 EAADRO CC[N@H+](CCO)[C@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001155743924 793301154 /nfs/dbraw/zinc/30/11/54/793301154.db2.gz LSWUMDQABPEREL-GFCCVEGCSA-N 1 0 326.401 -1.002 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001155748078 793300240 /nfs/dbraw/zinc/30/02/40/793300240.db2.gz DHOOGNVEPUZABB-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001155748079 793300852 /nfs/dbraw/zinc/30/08/52/793300852.db2.gz DHOOGNVEPUZABB-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001155752530 793303311 /nfs/dbraw/zinc/30/33/11/793303311.db2.gz BIZDYSBXCLHVJL-SNVBAGLBSA-N 1 0 325.369 -1.697 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001155752598 793302204 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EAADRO O=C(NCCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1CCC(=O)N1 ZINC001155752792 793302602 /nfs/dbraw/zinc/30/26/02/793302602.db2.gz HZADARBTZARKMI-TZMCWYRMSA-N 1 0 343.424 -1.083 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155752826 793303561 /nfs/dbraw/zinc/30/35/61/793303561.db2.gz JJSLPJJJESZEMI-GFCCVEGCSA-N 1 0 349.453 -1.188 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001155752836 793302528 /nfs/dbraw/zinc/30/25/28/793302528.db2.gz KGHGKABUQXQVBG-GHMZBOCLSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001155752837 793302829 /nfs/dbraw/zinc/30/28/29/793302829.db2.gz KGHGKABUQXQVBG-WDEREUQCSA-N 1 0 340.380 -2.129 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155753115 793303588 /nfs/dbraw/zinc/30/35/88/793303588.db2.gz NRYXDQMDBDREME-NWDGAFQWSA-N 1 0 328.413 -1.098 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155753116 793302818 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EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155753818 793302687 /nfs/dbraw/zinc/30/26/87/793302687.db2.gz VAFOPCLMKLMTFD-GHMZBOCLSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155753820 793303896 /nfs/dbraw/zinc/30/38/96/793303896.db2.gz VAFOPCLMKLMTFD-WDEREUQCSA-N 1 0 341.412 -1.016 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)[C@H]2CCC(=O)N2)cc(=O)n(C)c1=O ZINC001155753884 793303863 /nfs/dbraw/zinc/30/38/63/793303863.db2.gz WZIUJISNJOEPJN-LLVKDONJSA-N 1 0 337.380 -2.042 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1)NC[C@@H]1CCOC1 ZINC001155754193 793302840 /nfs/dbraw/zinc/30/28/40/793302840.db2.gz ZAZYDTMPHVGUHD-NWDGAFQWSA-N 1 0 326.397 -1.486 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1)NC[C@H]1CCOC1 ZINC001155754194 793303772 /nfs/dbraw/zinc/30/37/72/793303772.db2.gz ZAZYDTMPHVGUHD-VXGBXAGGSA-N 1 0 326.397 -1.486 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001155754220 793301927 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CCC(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001155795412 793303321 /nfs/dbraw/zinc/30/33/21/793303321.db2.gz DCOZUMDDDSUOOU-JTQLQIEISA-N 1 0 341.412 -1.015 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001155795414 793301810 /nfs/dbraw/zinc/30/18/10/793301810.db2.gz DCOZUMDDDSUOOU-SNVBAGLBSA-N 1 0 341.412 -1.015 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001155795480 793302277 /nfs/dbraw/zinc/30/22/77/793302277.db2.gz GGZJRHVQAPZYIR-LLVKDONJSA-N 1 0 342.396 -1.882 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001155795481 793302556 /nfs/dbraw/zinc/30/25/56/793302556.db2.gz GGZJRHVQAPZYIR-NSHDSACASA-N 1 0 342.396 -1.882 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001155795491 793302722 /nfs/dbraw/zinc/30/27/22/793302722.db2.gz GPAAGEAPXSGCPL-LLVKDONJSA-N 1 0 343.428 -1.799 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001155795492 793303784 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CCC(=O)NCC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001155796797 793302629 /nfs/dbraw/zinc/30/26/29/793302629.db2.gz ZCPGALREVXXIKM-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001155801809 793302409 /nfs/dbraw/zinc/30/24/09/793302409.db2.gz BERBFLFZLZOMCX-UHFFFAOYSA-N 1 0 327.385 -1.403 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001155801819 793301823 /nfs/dbraw/zinc/30/18/23/793301823.db2.gz BMQZJZPHHGWPEN-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)CC ZINC001155801864 793303035 /nfs/dbraw/zinc/30/30/35/793303035.db2.gz FCUDUKABCQDFIZ-JTQLQIEISA-N 1 0 329.401 -1.157 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)CC ZINC001155801865 793303599 /nfs/dbraw/zinc/30/35/99/793303599.db2.gz FCUDUKABCQDFIZ-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO CCC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001155801913 786462955 /nfs/dbraw/zinc/46/29/55/786462955.db2.gz FRUJWLVDZWPVGI-UHFFFAOYSA-N 1 0 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EAADRO CCc1ocnc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001156035107 793306916 /nfs/dbraw/zinc/30/69/16/793306916.db2.gz LUJLJQYTPFTTPE-UHFFFAOYSA-N 1 0 337.380 -1.095 20 0 EAADRO O=C(C[C@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001156048243 793306975 /nfs/dbraw/zinc/30/69/75/793306975.db2.gz DWNUHGUEWOISMY-GFCCVEGCSA-N 1 0 326.397 -1.533 20 0 EAADRO O=C(C[C@@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001156048244 793306417 /nfs/dbraw/zinc/30/64/17/793306417.db2.gz DWNUHGUEWOISMY-LBPRGKRZSA-N 1 0 326.397 -1.533 20 0 EAADRO O=C(Cc1cc[nH]n1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001156062570 793307454 /nfs/dbraw/zinc/30/74/54/793307454.db2.gz OJICYTWSYMEGDI-GFCCVEGCSA-N 1 0 337.380 -1.442 20 0 EAADRO O=C(Cc1cc[nH]n1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001156062576 793306590 /nfs/dbraw/zinc/30/65/90/793306590.db2.gz OJICYTWSYMEGDI-LBPRGKRZSA-N 1 0 337.380 -1.442 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cc2cc[nH]n2)n(C)c1=O ZINC001156087193 793307747 /nfs/dbraw/zinc/30/77/47/793307747.db2.gz 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HQFMYUNVHQVABZ-AWEZNQCLSA-N 1 0 330.429 -1.434 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156798966 793318363 /nfs/dbraw/zinc/31/83/63/793318363.db2.gz HQFMYUNVHQVABZ-CQSZACIVSA-N 1 0 330.429 -1.434 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)[C@H]1COCCN1C)S(C)(=O)=O ZINC001156799045 793318154 /nfs/dbraw/zinc/31/81/54/793318154.db2.gz JOVSQFSRFUAUTK-GFCCVEGCSA-N 1 0 336.458 -1.696 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)[C@@H]1COCCN1C)S(C)(=O)=O ZINC001156799046 786611783 /nfs/dbraw/zinc/61/17/83/786611783.db2.gz JOVSQFSRFUAUTK-LBPRGKRZSA-N 1 0 336.458 -1.696 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156799111 793318580 /nfs/dbraw/zinc/31/85/80/793318580.db2.gz KXOCBILWIJFSAO-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156799112 793319491 /nfs/dbraw/zinc/31/94/91/793319491.db2.gz KXOCBILWIJFSAO-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001156799135 793318383 /nfs/dbraw/zinc/31/83/83/793318383.db2.gz LPJVXQIVSJILQD-GFCCVEGCSA-N 1 0 336.396 -1.158 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001156799136 793318721 /nfs/dbraw/zinc/31/87/21/793318721.db2.gz LPJVXQIVSJILQD-LBPRGKRZSA-N 1 0 336.396 -1.158 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001156799159 793318596 /nfs/dbraw/zinc/31/85/96/793318596.db2.gz LYAZNTXMKCLBLP-GFCCVEGCSA-N 1 0 341.412 -2.629 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001156799160 793318313 /nfs/dbraw/zinc/31/83/13/793318313.db2.gz LYAZNTXMKCLBLP-LBPRGKRZSA-N 1 0 341.412 -2.629 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156799203 793318419 /nfs/dbraw/zinc/31/84/19/793318419.db2.gz MMBPJOSVWSGDTC-CYBMUJFWSA-N 1 0 330.429 -1.434 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156799204 793319239 /nfs/dbraw/zinc/31/92/39/793319239.db2.gz MMBPJOSVWSGDTC-ZDUSSCGKSA-N 1 0 330.429 -1.434 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001156799223 793319092 /nfs/dbraw/zinc/31/90/92/793319092.db2.gz MZLLDMAKOQRRLQ-GFCCVEGCSA-N 1 0 341.412 -1.599 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001156799224 793319230 /nfs/dbraw/zinc/31/92/30/793319230.db2.gz MZLLDMAKOQRRLQ-LBPRGKRZSA-N 1 0 341.412 -1.599 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001156799327 793318999 /nfs/dbraw/zinc/31/89/99/793318999.db2.gz PLLIZUBWXNWYMJ-JTQLQIEISA-N 1 0 342.425 -1.097 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001156799328 793318510 /nfs/dbraw/zinc/31/85/10/793318510.db2.gz PLLIZUBWXNWYMJ-SNVBAGLBSA-N 1 0 342.425 -1.097 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001156799451 793318500 /nfs/dbraw/zinc/31/85/00/793318500.db2.gz SAPKGAXSWUBWAM-KBPBESRZSA-N 1 0 342.440 -1.292 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001156799452 793319291 /nfs/dbraw/zinc/31/92/91/793319291.db2.gz SAPKGAXSWUBWAM-KGLIPLIRSA-N 1 0 342.440 -1.292 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001156799453 793318797 /nfs/dbraw/zinc/31/87/97/793318797.db2.gz SAPKGAXSWUBWAM-UONOGXRCSA-N 1 0 342.440 -1.292 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001156799454 793318168 /nfs/dbraw/zinc/31/81/68/793318168.db2.gz SAPKGAXSWUBWAM-ZIAGYGMSSA-N 1 0 342.440 -1.292 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156799469 793319278 /nfs/dbraw/zinc/31/92/78/793319278.db2.gz SGNIHDPASPAADO-CYBMUJFWSA-N 1 0 330.429 -1.434 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156799470 793319440 /nfs/dbraw/zinc/31/94/40/793319440.db2.gz SGNIHDPASPAADO-ZDUSSCGKSA-N 1 0 330.429 -1.434 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001156799483 793318808 /nfs/dbraw/zinc/31/88/08/793318808.db2.gz SQXDMAPPEPSTJH-GFCCVEGCSA-N 1 0 338.412 -1.265 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001156799484 793319652 /nfs/dbraw/zinc/31/96/52/793319652.db2.gz SQXDMAPPEPSTJH-LBPRGKRZSA-N 1 0 338.412 -1.265 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001156799529 793319043 /nfs/dbraw/zinc/31/90/43/793319043.db2.gz UWHUATNWAFTGLI-CYBMUJFWSA-N 1 0 328.413 -1.728 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001156799530 793318628 /nfs/dbraw/zinc/31/86/28/793318628.db2.gz UWHUATNWAFTGLI-ZDUSSCGKSA-N 1 0 328.413 -1.728 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156799647 793318398 /nfs/dbraw/zinc/31/83/98/793318398.db2.gz YCLKCSADEIYNNN-KBPBESRZSA-N 1 0 333.429 -1.563 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156799648 793319144 /nfs/dbraw/zinc/31/91/44/793319144.db2.gz YCLKCSADEIYNNN-KGLIPLIRSA-N 1 0 333.429 -1.563 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156799649 793318863 /nfs/dbraw/zinc/31/88/63/793318863.db2.gz YCLKCSADEIYNNN-UONOGXRCSA-N 1 0 333.429 -1.563 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156799650 786611076 /nfs/dbraw/zinc/61/10/76/786611076.db2.gz YCLKCSADEIYNNN-ZIAGYGMSSA-N 1 0 333.429 -1.563 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001156799663 793319266 /nfs/dbraw/zinc/31/92/66/793319266.db2.gz YNFJIYPRBDJFHQ-CYBMUJFWSA-N 1 0 348.469 -1.552 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001156799664 793319503 /nfs/dbraw/zinc/31/95/03/793319503.db2.gz YNFJIYPRBDJFHQ-ZDUSSCGKSA-N 1 0 348.469 -1.552 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001156802442 793318122 /nfs/dbraw/zinc/31/81/22/793318122.db2.gz GBEVLKUAMVIPGE-NEPJUHHUSA-N 1 0 329.397 -1.031 20 0 EAADRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001156802443 793319106 /nfs/dbraw/zinc/31/91/06/793319106.db2.gz GBEVLKUAMVIPGE-VXGBXAGGSA-N 1 0 329.397 -1.031 20 0 EAADRO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001156803811 793319247 /nfs/dbraw/zinc/31/92/47/793319247.db2.gz XITGERRVKKMDKF-GFCCVEGCSA-N 1 0 329.397 -1.029 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)n1cncn1 ZINC001156805162 793318785 /nfs/dbraw/zinc/31/87/85/793318785.db2.gz AKFHLSFCOIHTAD-CHWSQXEVSA-N 1 0 329.401 -1.041 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)n1cncn1 ZINC001156805163 793318452 /nfs/dbraw/zinc/31/84/52/793318452.db2.gz AKFHLSFCOIHTAD-OLZOCXBDSA-N 1 0 329.401 -1.041 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C)n1cncn1 ZINC001156805164 793318292 /nfs/dbraw/zinc/31/82/92/793318292.db2.gz AKFHLSFCOIHTAD-QWHCGFSZSA-N 1 0 329.401 -1.041 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)n1cncn1 ZINC001156805165 793318302 /nfs/dbraw/zinc/31/83/02/793318302.db2.gz AKFHLSFCOIHTAD-STQMWFEESA-N 1 0 329.401 -1.041 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001156805172 793319366 /nfs/dbraw/zinc/31/93/66/793319366.db2.gz ANUVGCHGKPMMSI-GFCCVEGCSA-N 1 0 341.412 -1.645 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001156805173 793318606 /nfs/dbraw/zinc/31/86/06/793318606.db2.gz ANUVGCHGKPMMSI-LBPRGKRZSA-N 1 0 341.412 -1.645 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156805232 793318775 /nfs/dbraw/zinc/31/87/75/793318775.db2.gz CILUZRGEBUFUSM-GFCCVEGCSA-N 1 0 336.458 -1.648 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156805233 793318142 /nfs/dbraw/zinc/31/81/42/793318142.db2.gz CILUZRGEBUFUSM-LBPRGKRZSA-N 1 0 336.458 -1.648 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C)n1cncn1 ZINC001156806011 793318932 /nfs/dbraw/zinc/31/89/32/793318932.db2.gz KPBFMBJAVIYELW-LLVKDONJSA-N 1 0 332.430 -1.126 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C)n1cncn1 ZINC001156806013 793319327 /nfs/dbraw/zinc/31/93/27/793319327.db2.gz KPBFMBJAVIYELW-NSHDSACASA-N 1 0 332.430 -1.126 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001156806024 793319080 /nfs/dbraw/zinc/31/90/80/793319080.db2.gz KUKCOOSUGFNYOJ-LLVKDONJSA-N 1 0 327.385 -2.035 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001156806025 793319476 /nfs/dbraw/zinc/31/94/76/793319476.db2.gz KUKCOOSUGFNYOJ-NSHDSACASA-N 1 0 327.385 -2.035 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)n1cncn1 ZINC001156807518 793318875 /nfs/dbraw/zinc/31/88/75/793318875.db2.gz WRMRCBGHEGPSHE-LLVKDONJSA-N 1 0 349.395 -1.467 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)n1cncn1 ZINC001156807521 793318687 /nfs/dbraw/zinc/31/86/87/793318687.db2.gz WRMRCBGHEGPSHE-NSHDSACASA-N 1 0 349.395 -1.467 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2COCCN2C)CCO1 ZINC001156807614 793318972 /nfs/dbraw/zinc/31/89/72/793318972.db2.gz XPWYTFLGUGWSDF-KBPBESRZSA-N 1 0 342.440 -1.340 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2COCCN2C)CCO1 ZINC001156807616 793318885 /nfs/dbraw/zinc/31/88/85/793318885.db2.gz XPWYTFLGUGWSDF-KGLIPLIRSA-N 1 0 342.440 -1.340 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2COCCN2C)CCO1 ZINC001156807618 793318589 /nfs/dbraw/zinc/31/85/89/793318589.db2.gz XPWYTFLGUGWSDF-UONOGXRCSA-N 1 0 342.440 -1.340 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2COCCN2C)CCO1 ZINC001156807619 793318991 /nfs/dbraw/zinc/31/89/91/793318991.db2.gz XPWYTFLGUGWSDF-ZIAGYGMSSA-N 1 0 342.440 -1.340 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)n1cncn1 ZINC001156807628 793318710 /nfs/dbraw/zinc/31/87/10/793318710.db2.gz XTCNANDESJRVAP-LLVKDONJSA-N 1 0 337.384 -1.123 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)n1cncn1 ZINC001156807637 793318177 /nfs/dbraw/zinc/31/81/77/793318177.db2.gz XTCNANDESJRVAP-NSHDSACASA-N 1 0 337.384 -1.123 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)n1cncn1 ZINC001156807806 793319641 /nfs/dbraw/zinc/31/96/41/793319641.db2.gz ZEXMDSGJKZRKTB-NXEZZACHSA-N 1 0 325.373 -1.221 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)n1cncn1 ZINC001156807807 793318762 /nfs/dbraw/zinc/31/87/62/793318762.db2.gz ZEXMDSGJKZRKTB-UWVGGRQHSA-N 1 0 325.373 -1.221 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)n1cncn1 ZINC001156807808 793319309 /nfs/dbraw/zinc/31/93/09/793319309.db2.gz ZEXMDSGJKZRKTB-VHSXEESVSA-N 1 0 325.373 -1.221 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)n1cncn1 ZINC001156807809 793318748 /nfs/dbraw/zinc/31/87/48/793318748.db2.gz ZEXMDSGJKZRKTB-ZJUUUORDSA-N 1 0 325.373 -1.221 20 0 EAADRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156807938 793318899 /nfs/dbraw/zinc/31/88/99/793318899.db2.gz LLYZOEIMBVQNIA-GHMZBOCLSA-N 1 0 330.385 -1.628 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156807939 793319343 /nfs/dbraw/zinc/31/93/43/793319343.db2.gz LLYZOEIMBVQNIA-MNOVXSKESA-N 1 0 330.385 -1.628 20 0 EAADRO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156808443 793319172 /nfs/dbraw/zinc/31/91/72/793319172.db2.gz RXVJQUIJQREUSO-LLVKDONJSA-N 1 0 337.384 -1.344 20 0 EAADRO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156808655 793318637 /nfs/dbraw/zinc/31/86/37/793318637.db2.gz XYYQDLZGHBAYPT-LLVKDONJSA-N 1 0 330.385 -1.626 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156811186 793318430 /nfs/dbraw/zinc/31/84/30/793318430.db2.gz CLTGWZNMLPUSJO-NEPJUHHUSA-N 1 0 343.428 -1.353 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156811189 793319301 /nfs/dbraw/zinc/31/93/01/793319301.db2.gz CLTGWZNMLPUSJO-NWDGAFQWSA-N 1 0 343.428 -1.353 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156811192 793318243 /nfs/dbraw/zinc/31/82/43/793318243.db2.gz CLTGWZNMLPUSJO-RYUDHWBXSA-N 1 0 343.428 -1.353 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156811194 793320432 /nfs/dbraw/zinc/32/04/32/793320432.db2.gz CLTGWZNMLPUSJO-VXGBXAGGSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156816063 793320880 /nfs/dbraw/zinc/32/08/80/793320880.db2.gz HWKFCNQKRWGCAE-GHMZBOCLSA-N 1 0 329.401 -1.743 20 0 EAADRO 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C[C@H](NC(N)=O)C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001157044892 793327522 /nfs/dbraw/zinc/32/75/22/793327522.db2.gz XKNFKILBRKLHSJ-WDEREUQCSA-N 1 0 349.457 -1.579 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001157044900 793326726 /nfs/dbraw/zinc/32/67/26/793326726.db2.gz XVXXXYOJKAZHSU-ZETCQYMHSA-N 1 0 329.386 -1.371 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157044924 793327338 /nfs/dbraw/zinc/32/73/38/793327338.db2.gz YXLJPVXFGYRCOE-VIFPVBQESA-N 1 0 328.373 -2.903 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157044930 793326165 /nfs/dbraw/zinc/32/61/65/793326165.db2.gz ZGOZTDYICASFJW-JTQLQIEISA-N 1 0 337.446 -1.532 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001157048553 793326406 /nfs/dbraw/zinc/32/64/06/793326406.db2.gz JKTLSNVOPGSZOC-MNOVXSKESA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001157048554 793326522 /nfs/dbraw/zinc/32/65/22/793326522.db2.gz JKTLSNVOPGSZOC-QWRGUYRKSA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001157048751 793326179 /nfs/dbraw/zinc/32/61/79/793326179.db2.gz NUFFJWWLYXULKI-VIFPVBQESA-N 1 0 344.416 -1.237 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157048927 793327650 /nfs/dbraw/zinc/32/76/50/793327650.db2.gz QXEMWQBOYCRLNE-JTQLQIEISA-N 1 0 344.416 -1.379 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001157054454 793327461 /nfs/dbraw/zinc/32/74/61/793327461.db2.gz OYNUBVYVXYZYRK-NWDGAFQWSA-N 1 0 346.428 -1.304 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001157054460 793326533 /nfs/dbraw/zinc/32/65/33/793326533.db2.gz OYNUBVYVXYZYRK-RYUDHWBXSA-N 1 0 346.428 -1.304 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001157054533 793327472 /nfs/dbraw/zinc/32/74/72/793327472.db2.gz SIGMHUNMQGUQCI-JTQLQIEISA-N 1 0 337.446 -1.579 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001157054759 793326677 /nfs/dbraw/zinc/32/66/77/793326677.db2.gz WZPQEWVSXWETLA-VIFPVBQESA-N 1 0 328.373 -1.919 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157054835 793327111 /nfs/dbraw/zinc/32/71/11/793327111.db2.gz YQDNHUUIAXNEHI-UWVGGRQHSA-N 1 0 343.384 -2.351 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157054846 793326904 /nfs/dbraw/zinc/32/69/04/793326904.db2.gz YQDNHUUIAXNEHI-VHSXEESVSA-N 1 0 343.384 -2.351 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001157054863 793327363 /nfs/dbraw/zinc/32/73/63/793327363.db2.gz YSXMONAXVMSPDJ-QWRGUYRKSA-N 1 0 329.401 -1.708 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001157054865 793327210 /nfs/dbraw/zinc/32/72/10/793327210.db2.gz YSXMONAXVMSPDJ-WDEREUQCSA-N 1 0 329.401 -1.708 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001157060100 793327002 /nfs/dbraw/zinc/32/70/02/793327002.db2.gz AKUAWIBGKSRYKR-VIFPVBQESA-N 1 0 340.384 -2.263 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001157060133 793326741 /nfs/dbraw/zinc/32/67/41/793326741.db2.gz BQBYLPJHGPYPMY-VIFPVBQESA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](C)NC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001157060186 793327019 /nfs/dbraw/zinc/32/70/19/793327019.db2.gz FADWKXVLPUXXAX-BDAKNGLRSA-N 1 0 342.400 -1.484 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001157060187 793326480 /nfs/dbraw/zinc/32/64/80/793326480.db2.gz FADWKXVLPUXXAX-IUCAKERBSA-N 1 0 342.400 -1.484 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157060507 793327453 /nfs/dbraw/zinc/32/74/53/793327453.db2.gz HDHYDCQSDCRWHA-JTQLQIEISA-N 1 0 344.416 -1.235 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O)n(C)n1 ZINC001157060694 793327481 /nfs/dbraw/zinc/32/74/81/793327481.db2.gz NHKZJQLLAYBWGI-JTQLQIEISA-N 1 0 339.400 -1.180 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157061005 793326566 /nfs/dbraw/zinc/32/65/66/793326566.db2.gz VFBKSFXHTNLNGS-UWVGGRQHSA-N 1 0 344.416 -1.238 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157061008 793327035 /nfs/dbraw/zinc/32/70/35/793327035.db2.gz VFBKSFXHTNLNGS-ZJUUUORDSA-N 1 0 344.416 -1.238 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157061083 793326185 /nfs/dbraw/zinc/32/61/85/793326185.db2.gz WIXJSDBFSZEECH-MNOVXSKESA-N 1 0 331.417 -1.320 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157061084 793326767 /nfs/dbraw/zinc/32/67/67/793326767.db2.gz WIXJSDBFSZEECH-QWRGUYRKSA-N 1 0 331.417 -1.320 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001157061168 793327093 /nfs/dbraw/zinc/32/70/93/793327093.db2.gz ZWMJQANJQFWFGB-UWVGGRQHSA-N 1 0 344.416 -2.268 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001157061169 793326847 /nfs/dbraw/zinc/32/68/47/793326847.db2.gz ZWMJQANJQFWFGB-VHSXEESVSA-N 1 0 344.416 -2.268 20 0 EAADRO O=C(CC1OCCCO1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157068245 793327278 /nfs/dbraw/zinc/32/72/78/793327278.db2.gz NWCHFRDZWRSBGD-UHFFFAOYSA-N 1 0 342.396 -1.806 20 0 EAADRO O=C(CC1OCCCO1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001157073973 793327371 /nfs/dbraw/zinc/32/73/71/793327371.db2.gz KPTNSINYMXPRJL-UHFFFAOYSA-N 1 0 328.369 -1.213 20 0 EAADRO CC[N@H+](CCOC)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 ZINC001157081232 793326386 /nfs/dbraw/zinc/32/63/86/793326386.db2.gz KKERIGWGVJEULC-GFCCVEGCSA-N 1 0 326.401 -1.133 20 0 EAADRO CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 ZINC001157081246 793326960 /nfs/dbraw/zinc/32/69/60/793326960.db2.gz LHLRIXKRGKVETC-NEPJUHHUSA-N 1 0 326.401 -1.398 20 0 EAADRO CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 ZINC001157081347 793326138 /nfs/dbraw/zinc/32/61/38/793326138.db2.gz LHLRIXKRGKVETC-VXGBXAGGSA-N 1 0 326.401 -1.398 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc2n(n1)CCCO2 ZINC001157081609 793326920 /nfs/dbraw/zinc/32/69/20/793326920.db2.gz BOMWJIMTZLLCGJ-WPRPVWTQSA-N 1 0 338.368 -2.011 20 0 EAADRO CC[N@H+](CCCO)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 ZINC001157081741 793326546 /nfs/dbraw/zinc/32/65/46/793326546.db2.gz PNOCTVRRMSHIBY-GFCCVEGCSA-N 1 0 326.401 -1.397 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1cc2n(n1)CCCO2 ZINC001157081862 793327442 /nfs/dbraw/zinc/32/74/42/793327442.db2.gz CWYPDGJOMIBJFP-UHFFFAOYSA-N 1 0 331.398 -1.498 20 0 EAADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157082275 793326804 /nfs/dbraw/zinc/32/68/04/793326804.db2.gz JRXRRXXGROAKSD-MNOVXSKESA-N 1 0 340.384 -1.224 20 0 EAADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157083393 793326270 /nfs/dbraw/zinc/32/62/70/793326270.db2.gz SZPGXNJPAMTUFL-RYUDHWBXSA-N 1 0 337.380 -1.050 20 0 EAADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157084001 793326417 /nfs/dbraw/zinc/32/64/17/793326417.db2.gz YDJDCXJMGIBILD-NWDGAFQWSA-N 1 0 337.380 -1.670 20 0 EAADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157084007 793327537 /nfs/dbraw/zinc/32/75/37/793327537.db2.gz YDJDCXJMGIBILD-RYUDHWBXSA-N 1 0 337.380 -1.670 20 0 EAADRO Cc1cc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)cnn1 ZINC001157093403 793326688 /nfs/dbraw/zinc/32/66/88/793326688.db2.gz CSJUAMWEWHIOCS-UHFFFAOYSA-N 1 0 334.380 -1.547 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100575 793326447 /nfs/dbraw/zinc/32/64/47/793326447.db2.gz FURUJPHWLYDXDB-UHFFFAOYSA-N 1 0 326.401 -1.083 20 0 EAADRO O=C(CCn1ccnn1)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001157100607 793326575 /nfs/dbraw/zinc/32/65/75/793326575.db2.gz HNSKAXKKKBYFHZ-UHFFFAOYSA-N 1 0 337.384 -1.248 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100610 793326913 /nfs/dbraw/zinc/32/69/13/793326913.db2.gz HSKXBNKTJWQICY-UHFFFAOYSA-N 1 0 339.400 -1.000 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100615 793326199 /nfs/dbraw/zinc/32/61/99/793326199.db2.gz IBKDYGULRSMQDV-UHFFFAOYSA-N 1 0 325.373 -1.390 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100675 793326624 /nfs/dbraw/zinc/32/66/24/793326624.db2.gz LMYNXEKALFQEAM-UHFFFAOYSA-N 1 0 326.401 -1.083 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100713 793327297 /nfs/dbraw/zinc/32/72/97/793327297.db2.gz NCCYABYQCONCIZ-LLVKDONJSA-N 1 0 339.400 -1.002 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100714 793326212 /nfs/dbraw/zinc/32/62/12/793326212.db2.gz NCCYABYQCONCIZ-NSHDSACASA-N 1 0 339.400 -1.002 20 0 EAADRO O=C(CCn1ccnn1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001157100859 793326858 /nfs/dbraw/zinc/32/68/58/793326858.db2.gz SLIFFASOIPTMRF-ZDUSSCGKSA-N 1 0 338.412 -1.253 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)CCn1ccnn1)S(C)(=O)=O ZINC001157100985 793327198 /nfs/dbraw/zinc/32/71/98/793327198.db2.gz UQYMCHRCHNCXER-UHFFFAOYSA-N 1 0 332.430 -1.345 20 0 EAADRO O=C(CCn1ccnn1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157101057 793327350 /nfs/dbraw/zinc/32/73/50/793327350.db2.gz XLSOLTCRPDZNPF-UHFFFAOYSA-N 1 0 337.384 -2.278 20 0 EAADRO O=C(CCn1ccnn1)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001157101058 793327594 /nfs/dbraw/zinc/32/75/94/793327594.db2.gz XLWOBDFTVSATGT-UHFFFAOYSA-N 1 0 344.441 -1.200 20 0 EAADRO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157109731 793327247 /nfs/dbraw/zinc/32/72/47/793327247.db2.gz SUGLPEYVEIAFRD-LLVKDONJSA-N 1 0 342.400 -1.788 20 0 EAADRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157110001 793327388 /nfs/dbraw/zinc/32/73/88/793327388.db2.gz XPWNQQODLYQXMN-GHMZBOCLSA-N 1 0 342.400 -1.789 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157110010 793326349 /nfs/dbraw/zinc/32/63/49/793326349.db2.gz XPWNQQODLYQXMN-MNOVXSKESA-N 1 0 342.400 -1.789 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001157116295 793327403 /nfs/dbraw/zinc/32/74/03/793327403.db2.gz AUKVHBMLRXTGGT-UHFFFAOYSA-N 1 0 334.380 -1.011 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001157116481 793327084 /nfs/dbraw/zinc/32/70/84/793327084.db2.gz GKXSZXPKGRPDOQ-UHFFFAOYSA-N 1 0 326.397 -1.581 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116517 786631322 /nfs/dbraw/zinc/63/13/22/786631322.db2.gz HCWIBPIVLUZMFH-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001157116530 793327124 /nfs/dbraw/zinc/32/71/24/793327124.db2.gz HOJWSUIMOKIHHF-AWEZNQCLSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001157116531 793327237 /nfs/dbraw/zinc/32/72/37/793327237.db2.gz HOJWSUIMOKIHHF-CQSZACIVSA-N 1 0 340.424 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116567 793327309 /nfs/dbraw/zinc/32/73/09/793327309.db2.gz JJTGUDJXYWBQOP-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001157116568 793327266 /nfs/dbraw/zinc/32/72/66/793327266.db2.gz JKUMJARBQOYISK-UHFFFAOYSA-N 1 0 339.396 -2.481 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116584 793326588 /nfs/dbraw/zinc/32/65/88/793326588.db2.gz KDTFBTLCULARHX-JTQLQIEISA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116585 793326502 /nfs/dbraw/zinc/32/65/02/793326502.db2.gz KDTFBTLCULARHX-SNVBAGLBSA-N 1 0 341.412 -1.205 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001157116587 793328110 /nfs/dbraw/zinc/32/81/10/793328110.db2.gz KFTWYKACGOOOQQ-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116610 793328434 /nfs/dbraw/zinc/32/84/34/793328434.db2.gz LERPCHKBQIISCB-DOMZBBRYSA-N 1 0 345.440 -1.027 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116611 793328605 /nfs/dbraw/zinc/32/86/05/793328605.db2.gz LERPCHKBQIISCB-IUODEOHRSA-N 1 0 345.440 -1.027 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116612 793327987 /nfs/dbraw/zinc/32/79/87/793327987.db2.gz LERPCHKBQIISCB-SWLSCSKDSA-N 1 0 345.440 -1.027 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116613 793328359 /nfs/dbraw/zinc/32/83/59/793328359.db2.gz LERPCHKBQIISCB-WFASDCNBSA-N 1 0 345.440 -1.027 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001157116623 793327433 /nfs/dbraw/zinc/32/74/33/793327433.db2.gz LZUOAUWGHIWCMI-GFCCVEGCSA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001157116624 786631478 /nfs/dbraw/zinc/63/14/78/786631478.db2.gz LZUOAUWGHIWCMI-LBPRGKRZSA-N 1 0 331.438 -1.005 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001157116650 793327796 /nfs/dbraw/zinc/32/77/96/793327796.db2.gz MYBSNEAZAJKAHU-UHFFFAOYSA-N 1 0 346.453 -1.404 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116651 793328830 /nfs/dbraw/zinc/32/88/30/793328830.db2.gz MYJRWIXQMAIPNU-AWEZNQCLSA-N 1 0 331.413 -1.416 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116652 793328391 /nfs/dbraw/zinc/32/83/91/793328391.db2.gz MYJRWIXQMAIPNU-CQSZACIVSA-N 1 0 331.413 -1.416 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001157116663 793327840 /nfs/dbraw/zinc/32/78/40/793327840.db2.gz NIJATUCMTYDBBM-UHFFFAOYSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001157116789 793328479 /nfs/dbraw/zinc/32/84/79/793328479.db2.gz OOSCIECAECUEFQ-AWEZNQCLSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001157116791 793328234 /nfs/dbraw/zinc/32/82/34/793328234.db2.gz OQAMJAWOWFSWKA-UHFFFAOYSA-N 1 0 334.442 -1.548 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116916 786630555 /nfs/dbraw/zinc/63/05/55/786630555.db2.gz UNBZEIPEEDMNFC-UHFFFAOYSA-N 1 0 327.385 -1.594 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116957 793327770 /nfs/dbraw/zinc/32/77/70/793327770.db2.gz WQESOCWZNXDIRX-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001157116967 793328334 /nfs/dbraw/zinc/32/83/34/793328334.db2.gz XELJUMRZYHNMRS-UHFFFAOYSA-N 1 0 336.396 -1.118 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116994 793328516 /nfs/dbraw/zinc/32/85/16/793328516.db2.gz YLAZJRRHKRUIFM-UHFFFAOYSA-N 1 0 341.412 -1.204 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157117019 793328038 /nfs/dbraw/zinc/32/80/38/793328038.db2.gz ZMWMJFLLLFZJQB-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001157122437 793327936 /nfs/dbraw/zinc/32/79/36/793327936.db2.gz FHVBBQHLYIYHRT-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001157122438 793328004 /nfs/dbraw/zinc/32/80/04/793328004.db2.gz FHVBBQHLYIYHRT-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157122470 793328463 /nfs/dbraw/zinc/32/84/63/793328463.db2.gz GPLTWHXDRBWHGP-UHFFFAOYSA-N 1 0 326.401 -1.083 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157122619 793328506 /nfs/dbraw/zinc/32/85/06/793328506.db2.gz LCYCDUWFBLAGQB-CYBMUJFWSA-N 1 0 329.401 -1.212 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157122620 793328012 /nfs/dbraw/zinc/32/80/12/793328012.db2.gz LCYCDUWFBLAGQB-ZDUSSCGKSA-N 1 0 329.401 -1.212 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157122625 793328172 /nfs/dbraw/zinc/32/81/72/793328172.db2.gz LHDAFDJSQXGLGF-JTQLQIEISA-N 1 0 325.373 -1.392 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157122626 793328147 /nfs/dbraw/zinc/32/81/47/793328147.db2.gz LHDAFDJSQXGLGF-SNVBAGLBSA-N 1 0 325.373 -1.392 20 0 EAADRO O=C(CCn1ccnn1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001157122698 793328185 /nfs/dbraw/zinc/32/81/85/793328185.db2.gz OPFYDRIWNYINRZ-UHFFFAOYSA-N 1 0 337.384 -1.294 20 0 EAADRO O=C(CCn1ccnn1)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001157122815 793328415 /nfs/dbraw/zinc/32/84/15/793328415.db2.gz VACUAEMKEHPWRD-CYBMUJFWSA-N 1 0 338.412 -1.083 20 0 EAADRO O=C(CCn1ccnn1)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001157122816 793328819 /nfs/dbraw/zinc/32/88/19/793328819.db2.gz VACUAEMKEHPWRD-ZDUSSCGKSA-N 1 0 338.412 -1.083 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157122911 793328326 /nfs/dbraw/zinc/32/83/26/793328326.db2.gz YPTMWMCLBWSAMD-UHFFFAOYSA-N 1 0 332.430 -1.297 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127159 793328198 /nfs/dbraw/zinc/32/81/98/793328198.db2.gz AQLHXNYBCYVOHW-SECBINFHSA-N 1 0 341.368 -1.078 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127160 793328162 /nfs/dbraw/zinc/32/81/62/793328162.db2.gz AQLHXNYBCYVOHW-VIFPVBQESA-N 1 0 341.368 -1.078 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)cc1=O ZINC001157127182 793328380 /nfs/dbraw/zinc/32/83/80/793328380.db2.gz BQOTYKQSTPFEQS-UHFFFAOYSA-N 1 0 326.353 -1.453 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127200 793327945 /nfs/dbraw/zinc/32/79/45/793327945.db2.gz CQXGQZCVZSYBDV-UHFFFAOYSA-N 1 0 328.369 -1.160 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157127216 793327738 /nfs/dbraw/zinc/32/77/38/793327738.db2.gz DNFWRUUYBYJBTD-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127359 793327847 /nfs/dbraw/zinc/32/78/47/793327847.db2.gz GJHJBJMWJRIFFR-UHFFFAOYSA-N 1 0 327.341 -1.467 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157127373 793328484 /nfs/dbraw/zinc/32/84/84/793328484.db2.gz GWURBBUVVRVPHD-SECBINFHSA-N 1 0 327.385 -1.595 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157127374 793328646 /nfs/dbraw/zinc/32/86/46/793328646.db2.gz GWURBBUVVRVPHD-VIFPVBQESA-N 1 0 327.385 -1.595 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001157127620 793328595 /nfs/dbraw/zinc/32/85/95/793328595.db2.gz MXGLJENVEVBSHS-UHFFFAOYSA-N 1 0 325.369 -1.888 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001157127640 793328181 /nfs/dbraw/zinc/32/81/81/793328181.db2.gz NSFJHCPJKICCKJ-CYBMUJFWSA-N 1 0 340.424 -1.287 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001157127641 793327829 /nfs/dbraw/zinc/32/78/29/793327829.db2.gz NSFJHCPJKICCKJ-ZDUSSCGKSA-N 1 0 340.424 -1.287 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)cc1=O ZINC001157127761 793328578 /nfs/dbraw/zinc/32/85/78/793328578.db2.gz SFTJBZRPFWCSPL-UHFFFAOYSA-N 1 0 340.380 -1.017 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127770 793328470 /nfs/dbraw/zinc/32/84/70/793328470.db2.gz SPTRBAAIIWMFDT-UHFFFAOYSA-N 1 0 341.368 -1.076 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001157127851 793328400 /nfs/dbraw/zinc/32/84/00/793328400.db2.gz TYJTVQVJCKDHKE-UHFFFAOYSA-N 1 0 339.396 -1.498 20 0 EAADRO CC(=O)N1CC(C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001157127903 786631531 /nfs/dbraw/zinc/63/15/31/786631531.db2.gz WEMYAUOSFZNDAB-UHFFFAOYSA-N 1 0 348.469 -1.158 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)CCn2ccnn2)n(C)c1=O ZINC001157127957 793327855 /nfs/dbraw/zinc/32/78/55/793327855.db2.gz YOTDBQFTQZGVEJ-UHFFFAOYSA-N 1 0 349.395 -1.638 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)cc1=O ZINC001157133945 793328784 /nfs/dbraw/zinc/32/87/84/793328784.db2.gz CAFWCAWDIFZSRF-LLVKDONJSA-N 1 0 340.380 -1.160 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)cc1=O ZINC001157133946 793328424 /nfs/dbraw/zinc/32/84/24/793328424.db2.gz CAFWCAWDIFZSRF-NSHDSACASA-N 1 0 340.380 -1.160 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157134008 793327917 /nfs/dbraw/zinc/32/79/17/793327917.db2.gz DHCUEQLCCKKEQG-MRVPVSSYSA-N 1 0 327.341 -1.468 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157134010 793328758 /nfs/dbraw/zinc/32/87/58/793328758.db2.gz DHCUEQLCCKKEQG-QMMMGPOBSA-N 1 0 327.341 -1.468 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)cc1=O ZINC001157134099 793328100 /nfs/dbraw/zinc/32/81/00/793328100.db2.gz FDSLWGHLCKVGRL-UHFFFAOYSA-N 1 0 325.325 -1.760 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1=O ZINC001157134128 793327923 /nfs/dbraw/zinc/32/79/23/793327923.db2.gz GELNIIIMVXWKNB-UHFFFAOYSA-N 1 0 339.352 -2.354 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157134178 793327778 /nfs/dbraw/zinc/32/77/78/793327778.db2.gz HMRJQZGPAZQVAW-UHFFFAOYSA-N 1 0 334.398 -1.373 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)c1cc(=O)n(C)o1)S(C)(=O)=O ZINC001157134595 793328119 /nfs/dbraw/zinc/32/81/19/793328119.db2.gz LZCZJPRTFCHQSG-UHFFFAOYSA-N 1 0 334.398 -1.421 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)cc1=O ZINC001157134598 793328350 /nfs/dbraw/zinc/32/83/50/793328350.db2.gz MBQYTXHCQCCFTC-UHFFFAOYSA-N 1 0 346.409 -1.277 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2cc(=O)n(C)o2)CCO1 ZINC001157134661 793328750 /nfs/dbraw/zinc/32/87/50/793328750.db2.gz PEIFRQCXRQGTFD-LLVKDONJSA-N 1 0 340.380 -1.065 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2cc(=O)n(C)o2)CCO1 ZINC001157134662 793328028 /nfs/dbraw/zinc/32/80/28/793328028.db2.gz PEIFRQCXRQGTFD-NSHDSACASA-N 1 0 340.380 -1.065 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157134667 793328729 /nfs/dbraw/zinc/32/87/29/793328729.db2.gz PFFPVSIIWLNKDL-UHFFFAOYSA-N 1 0 328.369 -1.160 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)cc1=O ZINC001157134949 793328315 /nfs/dbraw/zinc/32/83/15/793328315.db2.gz UTNCIUUEGORHDC-UHFFFAOYSA-N 1 0 339.352 -1.324 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)cc1=O ZINC001157134964 793327749 /nfs/dbraw/zinc/32/77/49/793327749.db2.gz VLWLBMAGHGBKLI-UHFFFAOYSA-N 1 0 339.352 -1.370 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)cc1=O ZINC001157134979 793328710 /nfs/dbraw/zinc/32/87/10/793328710.db2.gz WIAJVTVMMYRYOX-LLVKDONJSA-N 1 0 340.380 -1.017 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)cc1=O ZINC001157134980 793328368 /nfs/dbraw/zinc/32/83/68/793328368.db2.gz WIAJVTVMMYRYOX-NSHDSACASA-N 1 0 340.380 -1.017 20 0 EAADRO Cn1oc(C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)cc1=O ZINC001157135016 793327724 /nfs/dbraw/zinc/32/77/24/793327724.db2.gz XKQGJTUSVYHNNV-NSHDSACASA-N 1 0 340.380 -1.329 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157135034 793328738 /nfs/dbraw/zinc/32/87/38/793328738.db2.gz XSDOLAJABDBEPJ-UHFFFAOYSA-N 1 0 348.425 -1.031 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157135070 793327756 /nfs/dbraw/zinc/32/77/56/793327756.db2.gz YZBXAFHNRUPBHW-LLVKDONJSA-N 1 0 331.369 -1.288 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157135071 793328514 /nfs/dbraw/zinc/32/85/14/793328514.db2.gz 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Cn1nccc1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157214636 793329440 /nfs/dbraw/zinc/32/94/40/793329440.db2.gz XXROKGCURMOALI-UHFFFAOYSA-N 1 0 336.396 -1.983 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1ccnn1C ZINC001157220154 793328954 /nfs/dbraw/zinc/32/89/54/793328954.db2.gz PEOKYFLQFDZVQN-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO O=C(Cc1cncnc1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157227349 793329420 /nfs/dbraw/zinc/32/94/20/793329420.db2.gz YMJIPXCFEICJPF-CYBMUJFWSA-N 1 0 349.391 -1.375 20 0 EAADRO O=C(Cc1cncnc1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157227350 793329249 /nfs/dbraw/zinc/32/92/49/793329249.db2.gz YMJIPXCFEICJPF-ZDUSSCGKSA-N 1 0 349.391 -1.375 20 0 EAADRO CCn1ccnc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157232925 793329829 /nfs/dbraw/zinc/32/98/29/793329829.db2.gz PCNWJADZRFRQMY-UHFFFAOYSA-N 1 0 336.396 -1.429 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)Cc2cncnc2)cc(=O)n(C)c1=O ZINC001157233688 793329898 /nfs/dbraw/zinc/32/98/98/793329898.db2.gz 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793329369 /nfs/dbraw/zinc/32/93/69/793329369.db2.gz IZUWQLTYNYUILB-UHFFFAOYSA-N 1 0 342.440 -1.033 20 0 EAADRO CC(C)(O)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157279807 793329715 /nfs/dbraw/zinc/32/97/15/793329715.db2.gz JNILNOIHOGRPKE-LLVKDONJSA-N 1 0 329.397 -1.247 20 0 EAADRO CC(C)(O)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157279808 793329491 /nfs/dbraw/zinc/32/94/91/793329491.db2.gz JNILNOIHOGRPKE-NSHDSACASA-N 1 0 329.397 -1.247 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)C1CCC(O)CC1)N1CCNC(=O)C1 ZINC001157286764 793330200 /nfs/dbraw/zinc/33/02/00/793330200.db2.gz WEWOYZGOSVWEFB-UHFFFAOYSA-N 1 0 340.424 -1.408 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)CC(C)(C)O)CC1 ZINC001157291452 793330148 /nfs/dbraw/zinc/33/01/48/793330148.db2.gz DEOXXDVOVXQRQM-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)CC(C)(C)O)n(C)c1=O ZINC001157291552 793329268 /nfs/dbraw/zinc/32/92/68/793329268.db2.gz GJBWUJDCYAFYFG-UHFFFAOYSA-N 1 0 326.397 -1.159 20 0 EAADRO CC(C)(O)CC(=O)NCCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001157291807 793329793 /nfs/dbraw/zinc/32/97/93/793329793.db2.gz KYWLKXHPDVVWBO-GFCCVEGCSA-N 1 0 342.440 -1.033 20 0 EAADRO CC(C)(O)CC(=O)NCCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001157291808 793330165 /nfs/dbraw/zinc/33/01/65/793330165.db2.gz KYWLKXHPDVVWBO-LBPRGKRZSA-N 1 0 342.440 -1.033 20 0 EAADRO Cc1ccnc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001157296860 793329683 /nfs/dbraw/zinc/32/96/83/793329683.db2.gz AKLKOJZSAYNBBY-UHFFFAOYSA-N 1 0 334.380 -1.547 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CC(C)(C)O)C(=O)N(C)C ZINC001157297010 793329395 /nfs/dbraw/zinc/32/93/95/793329395.db2.gz FKZXNUWXRSOALK-LLVKDONJSA-N 1 0 330.429 -1.164 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CC(C)(C)O)C(=O)N(C)C ZINC001157297011 793329950 /nfs/dbraw/zinc/32/99/50/793329950.db2.gz FKZXNUWXRSOALK-NSHDSACASA-N 1 0 330.429 -1.164 20 0 EAADRO CC(C)(O)CC(=O)NCCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001157297626 793329608 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333.392 -1.995 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001157303572 793329588 /nfs/dbraw/zinc/32/95/88/793329588.db2.gz KBRXADLJJBBCAH-SFDCQRBFSA-N 1 0 330.388 -1.219 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNCCC[NH3+] ZINC001157303729 793329205 /nfs/dbraw/zinc/32/92/05/793329205.db2.gz LUCFSDXMUGCQAO-ZDUSSCGKSA-N 1 0 335.408 -1.746 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001157303740 793330192 /nfs/dbraw/zinc/33/01/92/793330192.db2.gz MMTVXNQFWNSPKK-AVGNSLFASA-N 1 0 334.376 -1.962 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001157303741 793329123 /nfs/dbraw/zinc/32/91/23/793329123.db2.gz MMTVXNQFWNSPKK-FRRDWIJNSA-N 1 0 334.376 -1.962 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1CC[NH2+]CC1 ZINC001157303803 793329963 /nfs/dbraw/zinc/32/99/63/793329963.db2.gz ORPVOUHNFLBUAF-AWEZNQCLSA-N 1 0 347.419 -1.779 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157303954 793329426 /nfs/dbraw/zinc/32/94/26/793329426.db2.gz PPWGZRVTEYIANG-GUYCJALGSA-N 1 0 347.419 -1.604 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157303955 793329929 /nfs/dbraw/zinc/32/99/29/793329929.db2.gz PPWGZRVTEYIANG-SUMWQHHRSA-N 1 0 347.419 -1.604 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001157304043 793329236 /nfs/dbraw/zinc/32/92/36/793329236.db2.gz SEEURLXPEIMUMY-AGIUHOORSA-N 1 0 334.376 -2.104 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001157304044 793329747 /nfs/dbraw/zinc/32/97/47/793329747.db2.gz SEEURLXPEIMUMY-AVGNSLFASA-N 1 0 334.376 -2.104 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001157304045 793330217 /nfs/dbraw/zinc/33/02/17/793330217.db2.gz SEEURLXPEIMUMY-FRRDWIJNSA-N 1 0 334.376 -2.104 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001157304046 793330057 /nfs/dbraw/zinc/33/00/57/793330057.db2.gz SEEURLXPEIMUMY-RWMBFGLXSA-N 1 0 334.376 -2.104 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C1(N)CC[NH2+]CC1 ZINC001157304164 793330264 /nfs/dbraw/zinc/33/02/64/793330264.db2.gz TZVKHWUSMAKWSC-ZDUSSCGKSA-N 1 0 347.419 -1.604 20 0 EAADRO CO[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001157309458 793329346 /nfs/dbraw/zinc/32/93/46/793329346.db2.gz HHHIKTNXQDJGHY-AWEZNQCLSA-N 1 0 326.397 -1.534 20 0 EAADRO CO[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001157309459 793329596 /nfs/dbraw/zinc/32/95/96/793329596.db2.gz HHHIKTNXQDJGHY-CQSZACIVSA-N 1 0 326.397 -1.534 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001157309600 793329275 /nfs/dbraw/zinc/32/92/75/793329275.db2.gz KOYHBVSMJZVZON-OBJOEFQTSA-N 1 0 334.376 -1.962 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001157309601 793330157 /nfs/dbraw/zinc/33/01/57/793330157.db2.gz KOYHBVSMJZVZON-SCRDCRAPSA-N 1 0 334.376 -1.962 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC001157310476 793330523 /nfs/dbraw/zinc/33/05/23/793330523.db2.gz YPMRXGHMTSGVQZ-KBPBESRZSA-N 1 0 348.403 -1.306 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC001157310477 793331255 /nfs/dbraw/zinc/33/12/55/793331255.db2.gz YPMRXGHMTSGVQZ-KGLIPLIRSA-N 1 0 348.403 -1.306 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1CCN(C(C)=O)CC1 ZINC001157323001 793331739 /nfs/dbraw/zinc/33/17/39/793331739.db2.gz HWUFUYVQYXRQNP-ZDUSSCGKSA-N 1 0 327.429 -1.490 20 0 EAADRO CCn1nnc2c1[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)CNC2 ZINC001157323116 793330832 /nfs/dbraw/zinc/33/08/32/793330832.db2.gz NBKNEWLWYZZVNV-MNOVXSKESA-N 1 0 337.428 -1.155 20 0 EAADRO CCn1nnc2c1[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)CNC2 ZINC001157323117 793330363 /nfs/dbraw/zinc/33/03/63/793330363.db2.gz NBKNEWLWYZZVNV-QWRGUYRKSA-N 1 0 337.428 -1.155 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]cn1)NC(C)=O ZINC001157323283 793330392 /nfs/dbraw/zinc/33/03/92/793330392.db2.gz OCVDVOBRJNADLN-QWHCGFSZSA-N 1 0 338.412 -1.183 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@H](NC(C)=O)C(=O)OC ZINC001157323312 793330384 /nfs/dbraw/zinc/33/03/84/793330384.db2.gz OOXVRYPNSDKTRQ-RYUDHWBXSA-N 1 0 344.412 -1.196 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCC(=O)N1CCOCC1 ZINC001157323339 793330349 /nfs/dbraw/zinc/33/03/49/793330349.db2.gz HJNYCQVDCMBLDE-LBPRGKRZSA-N 1 0 328.413 -1.015 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1CCS(=O)(=O)CC1 ZINC001157323413 793331540 /nfs/dbraw/zinc/33/15/40/793331540.db2.gz JCGPBLQFZQRRQP-NSHDSACASA-N 1 0 334.442 -1.923 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCN[C@@H](C(=O)OC)C1 ZINC001157323597 793330879 /nfs/dbraw/zinc/33/08/79/793330879.db2.gz LCBIMRQLPTYESV-GRYCIOLGSA-N 1 0 328.413 -1.113 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCN[C@@H](C(=O)OC)C1 ZINC001157323600 793330854 /nfs/dbraw/zinc/33/08/54/793330854.db2.gz LCBIMRQLPTYESV-SDDRHHMPSA-N 1 0 328.413 -1.113 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCN[C@H](C(=O)OC)C1 ZINC001157323601 793331728 /nfs/dbraw/zinc/33/17/28/793331728.db2.gz LCBIMRQLPTYESV-SRVKXCTJSA-N 1 0 328.413 -1.113 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCN[C@H](C(=O)OC)C1 ZINC001157323603 793330909 /nfs/dbraw/zinc/33/09/09/793330909.db2.gz LCBIMRQLPTYESV-WOPDTQHZSA-N 1 0 328.413 -1.113 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001157324486 793331768 /nfs/dbraw/zinc/33/17/68/793331768.db2.gz HWGFUEBRUHGEKO-JTQLQIEISA-N 1 0 325.369 -1.383 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001157324520 793330495 /nfs/dbraw/zinc/33/04/95/793330495.db2.gz ZIDNAQQGTWRFHR-NEPJUHHUSA-N 1 0 328.413 -1.159 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001157324521 793330975 /nfs/dbraw/zinc/33/09/75/793330975.db2.gz ZIDNAQQGTWRFHR-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001157335200 793331323 /nfs/dbraw/zinc/33/13/23/793331323.db2.gz DSMBWMRHRWBHTI-VIFPVBQESA-N 1 0 329.332 -1.552 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O ZINC001157335909 793331634 /nfs/dbraw/zinc/33/16/34/793331634.db2.gz LISVNSDJXIULSA-RMPHRYRLSA-N 1 0 328.413 -1.522 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O ZINC001157335911 793331807 /nfs/dbraw/zinc/33/18/07/793331807.db2.gz LISVNSDJXIULSA-RNWYCLNJSA-N 1 0 328.413 -1.522 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1CC[C@H](C(=O)OC)C1 ZINC001157337509 793330791 /nfs/dbraw/zinc/33/07/91/793330791.db2.gz WSGCRRBQMZKTGC-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O ZINC001157337536 793331061 /nfs/dbraw/zinc/33/10/61/793331061.db2.gz XLKJIWKSDUUQAT-FOGDFJRCSA-N 1 0 344.412 -1.198 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O ZINC001157337924 793331549 /nfs/dbraw/zinc/33/15/49/793331549.db2.gz ZRBQWXTUQGHUJV-DCAQKATOSA-N 1 0 341.412 -1.871 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157337939 793330820 /nfs/dbraw/zinc/33/08/20/793330820.db2.gz ZZCMHYSGZLSBFC-UWVGGRQHSA-N 1 0 345.400 -1.664 20 0 EAADRO Cn1nncc1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001157342830 793330544 /nfs/dbraw/zinc/33/05/44/793330544.db2.gz CANVPWSJDLYPIQ-UHFFFAOYSA-N 1 0 330.414 -1.440 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343429 793331621 /nfs/dbraw/zinc/33/16/21/793331621.db2.gz LIJSDVKEBQYARO-UHFFFAOYSA-N 1 0 332.430 -1.194 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343484 786693720 /nfs/dbraw/zinc/69/37/20/786693720.db2.gz MMGFGNJILHIYHJ-UHFFFAOYSA-N 1 0 347.441 -1.024 20 0 EAADRO Cn1nncc1C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157343502 793331035 /nfs/dbraw/zinc/33/10/35/793331035.db2.gz NAFNNUZUNWCJNL-JTQLQIEISA-N 1 0 338.368 -1.966 20 0 EAADRO Cn1nncc1C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157343503 793331008 /nfs/dbraw/zinc/33/10/08/793331008.db2.gz NAFNNUZUNWCJNL-SNVBAGLBSA-N 1 0 338.368 -1.966 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343689 786693301 /nfs/dbraw/zinc/69/33/01/786693301.db2.gz RCOGSTPYRIQWTB-NEPJUHHUSA-N 1 0 329.401 -1.063 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343690 786693151 /nfs/dbraw/zinc/69/31/51/786693151.db2.gz RCOGSTPYRIQWTB-NWDGAFQWSA-N 1 0 329.401 -1.063 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343691 786693379 /nfs/dbraw/zinc/69/33/79/786693379.db2.gz RCOGSTPYRIQWTB-RYUDHWBXSA-N 1 0 329.401 -1.063 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343692 786693837 /nfs/dbraw/zinc/69/38/37/786693837.db2.gz RCOGSTPYRIQWTB-VXGBXAGGSA-N 1 0 329.401 -1.063 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343875 793330515 /nfs/dbraw/zinc/33/05/15/793330515.db2.gz WNHRAEVCZLPPKM-UHFFFAOYSA-N 1 0 348.411 -1.083 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343898 793331216 /nfs/dbraw/zinc/33/12/16/793331216.db2.gz XDNNERFZTOGHHJ-UHFFFAOYSA-N 1 0 332.430 -1.146 20 0 EAADRO Cn1nncc1C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001157343936 793330899 /nfs/dbraw/zinc/33/08/99/793330899.db2.gz XSUPNGRJCAOIBY-LLVKDONJSA-N 1 0 344.441 -1.194 20 0 EAADRO Cn1nncc1C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001157343937 793331103 /nfs/dbraw/zinc/33/11/03/793331103.db2.gz XSUPNGRJCAOIBY-NSHDSACASA-N 1 0 344.441 -1.194 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001157344304 793331477 /nfs/dbraw/zinc/33/14/77/793331477.db2.gz JRKQLVPJLBZCEB-UWVGGRQHSA-N 1 0 327.385 -2.259 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC001157344529 793331155 /nfs/dbraw/zinc/33/11/55/793331155.db2.gz OKVRQHVKISMEIP-VIFPVBQESA-N 1 0 325.369 -1.943 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnnn1C ZINC001157350485 793331094 /nfs/dbraw/zinc/33/10/94/793331094.db2.gz WGOMWVVNXBZOKU-SECBINFHSA-N 1 0 325.373 -1.241 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cnnn1C ZINC001157350486 793331043 /nfs/dbraw/zinc/33/10/43/793331043.db2.gz WGOMWVVNXBZOKU-VIFPVBQESA-N 1 0 325.373 -1.241 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cnc(=O)n(CCOC)c1 ZINC001157351922 793331673 /nfs/dbraw/zinc/33/16/73/793331673.db2.gz ITOQPLHFGIFSJN-LBPRGKRZSA-N 1 0 339.396 -1.137 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001157351974 793330612 /nfs/dbraw/zinc/33/06/12/793330612.db2.gz KTKPVYWYPBELSC-JTQLQIEISA-N 1 0 325.369 -1.943 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)NCC(F)(F)F ZINC001157353812 793330483 /nfs/dbraw/zinc/33/04/83/793330483.db2.gz GJSZZAHDWBOQOV-SSDOTTSWSA-N 1 0 326.275 -1.131 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)NCC(F)(F)F ZINC001157353813 793331492 /nfs/dbraw/zinc/33/14/92/793331492.db2.gz GJSZZAHDWBOQOV-ZETCQYMHSA-N 1 0 326.275 -1.131 20 0 EAADRO Cn1nncc1C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001157353827 793331071 /nfs/dbraw/zinc/33/10/71/793331071.db2.gz GXHVNLBUNFEWLO-UHFFFAOYSA-N 1 0 335.368 -1.878 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001157354004 793330657 /nfs/dbraw/zinc/33/06/57/793330657.db2.gz KAQNNJABDVWHKT-JTQLQIEISA-N 1 0 339.400 -1.883 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001157354005 793331079 /nfs/dbraw/zinc/33/10/79/793331079.db2.gz KAQNNJABDVWHKT-SNVBAGLBSA-N 1 0 339.400 -1.883 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)NCc1cccnc1 ZINC001157354295 793331799 /nfs/dbraw/zinc/33/17/99/793331799.db2.gz OCZUTGJJYNEBQQ-GFCCVEGCSA-N 1 0 335.364 -1.098 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)NCc1cccnc1 ZINC001157354298 793330599 /nfs/dbraw/zinc/33/05/99/793330599.db2.gz OCZUTGJJYNEBQQ-LBPRGKRZSA-N 1 0 335.364 -1.098 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157354440 793331149 /nfs/dbraw/zinc/33/11/49/793331149.db2.gz PQSFMTDMMLJFPE-BDAKNGLRSA-N 1 0 329.357 -1.575 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157354441 793330630 /nfs/dbraw/zinc/33/06/30/793330630.db2.gz PQSFMTDMMLJFPE-DTWKUNHWSA-N 1 0 329.357 -1.575 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157354442 793330711 /nfs/dbraw/zinc/33/07/11/793330711.db2.gz PQSFMTDMMLJFPE-IUCAKERBSA-N 1 0 329.357 -1.575 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157354443 793330930 /nfs/dbraw/zinc/33/09/30/793330930.db2.gz PQSFMTDMMLJFPE-RKDXNWHRSA-N 1 0 329.357 -1.575 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cnnn1C)C(=O)NC(=O)NC1CC1 ZINC001157354698 793331608 /nfs/dbraw/zinc/33/16/08/793331608.db2.gz QDBFBUZSKMLKEN-SECBINFHSA-N 1 0 337.384 -1.099 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cnnn1C)C(=O)NC(=O)NC1CC1 ZINC001157354699 793331716 /nfs/dbraw/zinc/33/17/16/793331716.db2.gz QDBFBUZSKMLKEN-VIFPVBQESA-N 1 0 337.384 -1.099 20 0 EAADRO Cn1nncc1C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001157355060 793330434 /nfs/dbraw/zinc/33/04/34/793330434.db2.gz VZRGBHDPHYPCKN-UHFFFAOYSA-N 1 0 337.384 -1.145 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)NC1CCOCC1 ZINC001157355132 793331572 /nfs/dbraw/zinc/33/15/72/793331572.db2.gz XDAJMSNOZBPBHA-LLVKDONJSA-N 1 0 328.369 -1.514 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)NC1CCOCC1 ZINC001157355136 793331303 /nfs/dbraw/zinc/33/13/03/793331303.db2.gz XDAJMSNOZBPBHA-NSHDSACASA-N 1 0 328.369 -1.514 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157355310 793331485 /nfs/dbraw/zinc/33/14/85/793331485.db2.gz ZAILLMOXHQBPRC-UHFFFAOYSA-N 1 0 325.373 -1.240 20 0 EAADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ncn2c1nnn(C)c2=O ZINC001157356891 793331168 /nfs/dbraw/zinc/33/11/68/793331168.db2.gz SJTDZYNXFPADAS-QMMMGPOBSA-N 1 0 336.356 -2.204 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1COC(=O)N1 ZINC001157359591 793330938 /nfs/dbraw/zinc/33/09/38/793330938.db2.gz APZIWBRPWXBTHL-QWRGUYRKSA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1COC(=O)N1 ZINC001157359593 793330966 /nfs/dbraw/zinc/33/09/66/793330966.db2.gz APZIWBRPWXBTHL-WDEREUQCSA-N 1 0 328.369 -1.826 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001157359951 793331560 /nfs/dbraw/zinc/33/15/60/793331560.db2.gz DENVVNXEGPXUFH-GHMZBOCLSA-N 1 0 348.425 -1.528 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001157359956 793330953 /nfs/dbraw/zinc/33/09/53/793330953.db2.gz DENVVNXEGPXUFH-MNOVXSKESA-N 1 0 348.425 -1.528 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001157359958 793331345 /nfs/dbraw/zinc/33/13/45/793331345.db2.gz DENVVNXEGPXUFH-QWRGUYRKSA-N 1 0 348.425 -1.528 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001157359959 793331355 /nfs/dbraw/zinc/33/13/55/793331355.db2.gz DENVVNXEGPXUFH-WDEREUQCSA-N 1 0 348.425 -1.528 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1COC(=O)N1 ZINC001157360036 793331596 /nfs/dbraw/zinc/33/15/96/793331596.db2.gz DUHZSXIXJBAYEQ-JTQLQIEISA-N 1 0 334.398 -1.774 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)[C@H]1COC(=O)N1 ZINC001157360039 793330506 /nfs/dbraw/zinc/33/05/06/793330506.db2.gz DUHZSXIXJBAYEQ-SNVBAGLBSA-N 1 0 334.398 -1.774 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)s1 ZINC001157360149 793331581 /nfs/dbraw/zinc/33/15/81/793331581.db2.gz FMLYBVIARQKARY-MRVPVSSYSA-N 1 0 342.381 -1.011 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001157360150 793331643 /nfs/dbraw/zinc/33/16/43/793331643.db2.gz FMLYBVIARQKARY-QMMMGPOBSA-N 1 0 342.381 -1.011 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)Nc1nncs1 ZINC001157360468 793331364 /nfs/dbraw/zinc/33/13/64/793331364.db2.gz JJDACRQAKDDXHC-SSDOTTSWSA-N 1 0 328.354 -1.319 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)Nc1nncs1 ZINC001157360469 793331114 /nfs/dbraw/zinc/33/11/14/793331114.db2.gz JJDACRQAKDDXHC-ZETCQYMHSA-N 1 0 328.354 -1.319 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)NC(=O)NC1CC1 ZINC001157360544 786696064 /nfs/dbraw/zinc/69/60/64/786696064.db2.gz LBZFWSFXNVEKPI-SECBINFHSA-N 1 0 327.341 -1.821 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)NC(=O)NC1CC1 ZINC001157360545 786695743 /nfs/dbraw/zinc/69/57/43/786695743.db2.gz LBZFWSFXNVEKPI-VIFPVBQESA-N 1 0 327.341 -1.821 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)N1CCNC(=O)C1 ZINC001157360596 793330586 /nfs/dbraw/zinc/33/05/86/793330586.db2.gz MGTQGMBUSXXFCN-SECBINFHSA-N 1 0 327.341 -2.851 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)N1CCNC(=O)C1 ZINC001157360597 793331776 /nfs/dbraw/zinc/33/17/76/793331776.db2.gz MGTQGMBUSXXFCN-VIFPVBQESA-N 1 0 327.341 -2.851 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157360702 793331789 /nfs/dbraw/zinc/33/17/89/793331789.db2.gz OURIZSSUEFJNPU-SECBINFHSA-N 1 0 329.357 -1.574 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157360703 793331466 /nfs/dbraw/zinc/33/14/66/793331466.db2.gz OURIZSSUEFJNPU-VIFPVBQESA-N 1 0 329.357 -1.574 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157360804 786695539 /nfs/dbraw/zinc/69/55/39/786695539.db2.gz RBANDBWRHGERMM-JTQLQIEISA-N 1 0 336.414 -1.480 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157360805 786695773 /nfs/dbraw/zinc/69/57/73/786695773.db2.gz RBANDBWRHGERMM-SNVBAGLBSA-N 1 0 336.414 -1.480 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)NC[C@H]1CCCO1 ZINC001157360832 793333046 /nfs/dbraw/zinc/33/30/46/793333046.db2.gz RUVXOFPRSNTDSS-GHMZBOCLSA-N 1 0 328.369 -1.514 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)NC[C@H]1CCCO1 ZINC001157360833 793332272 /nfs/dbraw/zinc/33/22/72/793332272.db2.gz RUVXOFPRSNTDSS-MNOVXSKESA-N 1 0 328.369 -1.514 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)NC[C@@H]1CCCO1 ZINC001157360834 793332952 /nfs/dbraw/zinc/33/29/52/793332952.db2.gz RUVXOFPRSNTDSS-QWRGUYRKSA-N 1 0 328.369 -1.514 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)NC[C@@H]1CCCO1 ZINC001157360835 793332854 /nfs/dbraw/zinc/33/28/54/793332854.db2.gz RUVXOFPRSNTDSS-WDEREUQCSA-N 1 0 328.369 -1.514 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)[nH]c2=O ZINC001157360964 793332165 /nfs/dbraw/zinc/33/21/65/793332165.db2.gz VFGHIBQSLZHPRF-SECBINFHSA-N 1 0 349.351 -1.227 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)[nH]c2=O ZINC001157360965 793332573 /nfs/dbraw/zinc/33/25/73/793332573.db2.gz VFGHIBQSLZHPRF-VIFPVBQESA-N 1 0 349.351 -1.227 20 0 EAADRO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001157364019 793332508 /nfs/dbraw/zinc/33/25/08/793332508.db2.gz CFTACMVPRKSOEA-NEPJUHHUSA-N 1 0 329.397 -1.125 20 0 EAADRO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001157364021 793332042 /nfs/dbraw/zinc/33/20/42/793332042.db2.gz CFTACMVPRKSOEA-VXGBXAGGSA-N 1 0 329.397 -1.125 20 0 EAADRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001157364221 793332347 /nfs/dbraw/zinc/33/23/47/793332347.db2.gz KIIZSUHRCUWCQD-GRYCIOLGSA-N 1 0 329.397 -1.127 20 0 EAADRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001157364222 793333076 /nfs/dbraw/zinc/33/30/76/793333076.db2.gz KIIZSUHRCUWCQD-IJLUTSLNSA-N 1 0 329.397 -1.127 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001157364223 793332778 /nfs/dbraw/zinc/33/27/78/793332778.db2.gz KIIZSUHRCUWCQD-UTUOFQBUSA-N 1 0 329.397 -1.127 20 0 EAADRO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001157364224 793333251 /nfs/dbraw/zinc/33/32/51/793333251.db2.gz KIIZSUHRCUWCQD-WOPDTQHZSA-N 1 0 329.397 -1.127 20 0 EAADRO [NH3+]CCCC[C@H](NC(=O)CN1CCNCC1=O)C(=O)N1CCCC1 ZINC001157368441 793332883 /nfs/dbraw/zinc/33/28/83/793332883.db2.gz HBQGWWYMGAVGMK-ZDUSSCGKSA-N 1 0 339.440 -1.346 20 0 EAADRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N1CCCC1 ZINC001157368918 793332947 /nfs/dbraw/zinc/33/29/47/793332947.db2.gz NNMUMWRQHVASQE-QWRGUYRKSA-N 1 0 339.396 -1.179 20 0 EAADRO [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1)C(=O)N1CCCC1 ZINC001157369173 793332522 /nfs/dbraw/zinc/33/25/22/793332522.db2.gz QFLJSMJLXHLKNT-QWRGUYRKSA-N 1 0 338.416 -1.694 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)n(C)n1 ZINC001157369678 793333335 /nfs/dbraw/zinc/33/33/35/793333335.db2.gz BMHFFMOOVWYYNX-JTQLQIEISA-N 1 0 338.368 -1.129 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)n(C)n1 ZINC001157369679 793332415 /nfs/dbraw/zinc/33/24/15/793332415.db2.gz BMHFFMOOVWYYNX-SNVBAGLBSA-N 1 0 338.368 -1.129 20 0 EAADRO [NH3+]CCCC[C@H](NC(=O)CN1CC(=O)NC1=O)C(=O)N1CCCC1 ZINC001157369866 793332993 /nfs/dbraw/zinc/33/29/93/793332993.db2.gz YMXOXKIMCYVRGB-NSHDSACASA-N 1 0 339.396 -1.226 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)cc(=O)n(C)c1=O ZINC001157369993 793333413 /nfs/dbraw/zinc/33/34/13/793333413.db2.gz DVMWULFPFALFFA-JTQLQIEISA-N 1 0 339.352 -2.212 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)cc(=O)n(C)c1=O ZINC001157369994 793332459 /nfs/dbraw/zinc/33/24/59/793332459.db2.gz DVMWULFPFALFFA-SNVBAGLBSA-N 1 0 339.352 -2.212 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001157370183 793332763 /nfs/dbraw/zinc/33/27/63/793332763.db2.gz GDUKJYLBPLGZDJ-PSASIEDQSA-N 1 0 341.368 -1.433 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001157370188 793333131 /nfs/dbraw/zinc/33/31/31/793333131.db2.gz GDUKJYLBPLGZDJ-SCZZXKLOSA-N 1 0 341.368 -1.433 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001157370190 793332608 /nfs/dbraw/zinc/33/26/08/793332608.db2.gz GDUKJYLBPLGZDJ-WCBMZHEXSA-N 1 0 341.368 -1.433 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(=O)NC1CC1 ZINC001157370192 793332864 /nfs/dbraw/zinc/33/28/64/793332864.db2.gz GDUKJYLBPLGZDJ-WPRPVWTQSA-N 1 0 341.368 -1.433 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001157370221 793332208 /nfs/dbraw/zinc/33/22/08/793332208.db2.gz GOPAQDRCUKUJOK-NXEZZACHSA-N 1 0 343.384 -2.216 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001157370225 793332061 /nfs/dbraw/zinc/33/20/61/793332061.db2.gz GOPAQDRCUKUJOK-UWVGGRQHSA-N 1 0 343.384 -2.216 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001157370226 793332801 /nfs/dbraw/zinc/33/28/01/793332801.db2.gz GOPAQDRCUKUJOK-VHSXEESVSA-N 1 0 343.384 -2.216 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001157370228 793332900 /nfs/dbraw/zinc/33/29/00/793332900.db2.gz GOPAQDRCUKUJOK-ZJUUUORDSA-N 1 0 343.384 -2.216 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157370526 793332449 /nfs/dbraw/zinc/33/24/49/793332449.db2.gz HAYAFLHEAGLLHQ-GHMZBOCLSA-N 1 0 330.385 -1.268 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157370527 793333013 /nfs/dbraw/zinc/33/30/13/793333013.db2.gz HAYAFLHEAGLLHQ-MNOVXSKESA-N 1 0 330.385 -1.268 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157370528 793332007 /nfs/dbraw/zinc/33/20/07/793332007.db2.gz HAYAFLHEAGLLHQ-QWRGUYRKSA-N 1 0 330.385 -1.268 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157370529 793332836 /nfs/dbraw/zinc/33/28/36/793332836.db2.gz HAYAFLHEAGLLHQ-WDEREUQCSA-N 1 0 330.385 -1.268 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001157370572 793332093 /nfs/dbraw/zinc/33/20/93/793332093.db2.gz HVYPJVUGPOZXAN-SECBINFHSA-N 1 0 341.368 -1.479 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001157370573 793333400 /nfs/dbraw/zinc/33/34/00/793333400.db2.gz HVYPJVUGPOZXAN-VIFPVBQESA-N 1 0 341.368 -1.479 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@H]1COC(=O)N1 ZINC001157370663 793333417 /nfs/dbraw/zinc/33/34/17/793333417.db2.gz JEDUHLBIGUOFEM-NXEZZACHSA-N 1 0 342.352 -2.299 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1COC(=O)N1 ZINC001157370666 793332669 /nfs/dbraw/zinc/33/26/69/793332669.db2.gz JEDUHLBIGUOFEM-UWVGGRQHSA-N 1 0 342.352 -2.299 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@H]1COC(=O)N1 ZINC001157370667 793332548 /nfs/dbraw/zinc/33/25/48/793332548.db2.gz JEDUHLBIGUOFEM-VHSXEESVSA-N 1 0 342.352 -2.299 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1COC(=O)N1 ZINC001157370669 793333327 /nfs/dbraw/zinc/33/33/27/793333327.db2.gz JEDUHLBIGUOFEM-ZJUUUORDSA-N 1 0 342.352 -2.299 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC001157370945 793332491 /nfs/dbraw/zinc/33/24/91/793332491.db2.gz MRQQURUWYNTUQJ-GHMZBOCLSA-N 1 0 328.369 -1.562 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001157370947 793332842 /nfs/dbraw/zinc/33/28/42/793332842.db2.gz MRQQURUWYNTUQJ-MNOVXSKESA-N 1 0 328.369 -1.562 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001157370948 793332917 /nfs/dbraw/zinc/33/29/17/793332917.db2.gz MRQQURUWYNTUQJ-QWRGUYRKSA-N 1 0 328.369 -1.562 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC001157370950 793333026 /nfs/dbraw/zinc/33/30/26/793333026.db2.gz MRQQURUWYNTUQJ-WDEREUQCSA-N 1 0 328.369 -1.562 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157370998 793332714 /nfs/dbraw/zinc/33/27/14/793332714.db2.gz NXPWILUTEJEXQH-SECBINFHSA-N 1 0 343.384 -1.185 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157370999 793332632 /nfs/dbraw/zinc/33/26/32/793332632.db2.gz NXPWILUTEJEXQH-VIFPVBQESA-N 1 0 343.384 -1.185 20 0 EAADRO [NH3+]CCCC[C@H](NC(=O)CN1C(=O)CNC1=O)C(=O)N1CCCC1 ZINC001157371081 793332154 /nfs/dbraw/zinc/33/21/54/793332154.db2.gz OEMIAEAFAGPKRP-NSHDSACASA-N 1 0 339.396 -1.226 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157371106 793332300 /nfs/dbraw/zinc/33/23/00/793332300.db2.gz ONVKBESHJOXBHE-NXEZZACHSA-N 1 0 343.384 -1.187 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157371108 793332481 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EAADRO O=C(NCCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1COC(=O)N1 ZINC001157371217 793332437 /nfs/dbraw/zinc/33/24/37/793332437.db2.gz QMJCIHNEBHNXPT-YPMHNXCESA-N 1 0 345.396 -1.253 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157371356 793332404 /nfs/dbraw/zinc/33/24/04/793332404.db2.gz RFPLYHFNTUFZSB-JTQLQIEISA-N 1 0 343.384 -1.328 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157371357 793333092 /nfs/dbraw/zinc/33/30/92/793333092.db2.gz RFPLYHFNTUFZSB-SNVBAGLBSA-N 1 0 343.384 -1.328 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157371402 793332934 /nfs/dbraw/zinc/33/29/34/793332934.db2.gz SODRUUHUDQMAFC-JTQLQIEISA-N 1 0 343.384 -1.183 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157371403 793333063 /nfs/dbraw/zinc/33/30/63/793333063.db2.gz SODRUUHUDQMAFC-SNVBAGLBSA-N 1 0 343.384 -1.183 20 0 EAADRO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1COC(=O)N1 ZINC001157371667 793333115 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O=C(C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1)NC[C@@H]1CCOC1 ZINC001157372148 793333103 /nfs/dbraw/zinc/33/31/03/793333103.db2.gz YSQKPCRMNYDSOQ-QWRGUYRKSA-N 1 0 328.369 -1.657 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1)NC[C@@H]1CCOC1 ZINC001157372149 793333390 /nfs/dbraw/zinc/33/33/90/793333390.db2.gz YSQKPCRMNYDSOQ-WDEREUQCSA-N 1 0 328.369 -1.657 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1C[C@@H]1C(F)F)N1CCNC(=O)C1 ZINC001157387985 793332258 /nfs/dbraw/zinc/33/22/58/793332258.db2.gz LYYXHWSFWNMADI-UWVGGRQHSA-N 1 0 332.351 -1.058 20 0 EAADRO CS(=O)(=O)c1nc2c(c(NC3(CO)COC3)n1)CC[NH2+]CC2 ZINC001157392404 793332119 /nfs/dbraw/zinc/33/21/19/793332119.db2.gz SERAKLOIRZCGRA-UHFFFAOYSA-N 1 0 328.394 -1.259 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001157407782 793332132 /nfs/dbraw/zinc/33/21/32/793332132.db2.gz MFASQCUKVKYRGT-CQSZACIVSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C2CC3(C[NH2+]C3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421637 793333729 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ZINC001157422999 793334813 /nfs/dbraw/zinc/33/48/13/793334813.db2.gz IJYNFJXGGUSBCZ-BBDLJKNJSA-N 1 0 336.360 -2.106 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423007 793335158 /nfs/dbraw/zinc/33/51/58/793335158.db2.gz IJYNFJXGGUSBCZ-BTHHDRIZSA-N 1 0 336.360 -2.106 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CC[NH2+]C[C@H]2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423009 793334489 /nfs/dbraw/zinc/33/44/89/793334489.db2.gz IJYNFJXGGUSBCZ-LVLQYJHRSA-N 1 0 336.360 -2.106 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CC[NH2+]C[C@@H]2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423012 793334437 /nfs/dbraw/zinc/33/44/37/793334437.db2.gz IJYNFJXGGUSBCZ-RACQDCERSA-N 1 0 336.360 -2.106 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C[C@@H]([NH3+])C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423031 793334550 /nfs/dbraw/zinc/33/45/50/793334550.db2.gz ITUJZGBSOUCDKZ-LVYBWGIDSA-N 1 0 334.413 -1.290 20 0 EAADRO C[NH2+][C@@H](CC(C)C)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157423076 793335203 /nfs/dbraw/zinc/33/52/03/793335203.db2.gz JBBOACNJYKOYLT-JSXSYOHWSA-N 1 0 334.413 -1.419 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NC(=N)n1nnc2ccccc21 ZINC001157423086 793334425 /nfs/dbraw/zinc/33/44/25/793334425.db2.gz JOKDLZBBHMDRSU-UHFFFAOYSA-N 1 0 339.381 -1.449 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423126 793334068 /nfs/dbraw/zinc/33/40/68/793334068.db2.gz KLMLIIGJIVKUIC-RACQDCERSA-N 1 0 336.360 -1.963 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]([NH3+])CC(F)F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423135 793334172 /nfs/dbraw/zinc/33/41/72/793334172.db2.gz KRFXLVCAVJBNEK-WLIDXEKESA-N 1 0 328.312 -2.071 20 0 EAADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC001157423255 793335224 /nfs/dbraw/zinc/33/52/24/793335224.db2.gz MIPGSUMMZPDGRO-NYQILHERSA-N 1 0 332.397 -1.665 20 0 EAADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC001157423256 793333661 /nfs/dbraw/zinc/33/36/61/793333661.db2.gz MIPGSUMMZPDGRO-XRXQPUKHSA-N 1 0 332.397 -1.665 20 0 EAADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC001157423257 793334971 /nfs/dbraw/zinc/33/49/71/793334971.db2.gz MIPGSUMMZPDGRO-YHEIVTRZSA-N 1 0 332.397 -1.665 20 0 EAADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC001157423259 793333916 /nfs/dbraw/zinc/33/39/16/793333916.db2.gz MIPGSUMMZPDGRO-YRTQZTBLSA-N 1 0 332.397 -1.665 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C=C2CC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423261 793333587 /nfs/dbraw/zinc/33/35/87/793333587.db2.gz MJFLUPBBXOTKRM-XNHWVXRISA-N 1 0 330.381 -1.744 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)c2ccccc2C[NH3+])[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423603 793334470 /nfs/dbraw/zinc/33/44/70/793334470.db2.gz MNAGQYRCAKFRLJ-BSVDJGSKSA-N 1 0 340.376 -1.281 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)CN2CC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423656 793333847 /nfs/dbraw/zinc/33/38/47/793333847.db2.gz NBSYZVRHBDACPW-QIWZIZFYSA-N 1 0 333.385 -3.148 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]([NH3+])C2CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423672 793334533 /nfs/dbraw/zinc/33/45/33/793334533.db2.gz NIGURDCOCCCXQP-VILJTGTESA-N 1 0 346.424 -1.146 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC(=N)n1nnc2ccccc21 ZINC001157423714 793334209 /nfs/dbraw/zinc/33/42/09/793334209.db2.gz ODKYSMKEDBADIW-CBAPKCEASA-N 1 0 346.351 -1.962 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]([NH3+])c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423731 793333540 /nfs/dbraw/zinc/33/35/40/793333540.db2.gz OMAUJMYMKVITRY-GSKLTPFOSA-N 1 0 340.376 -1.353 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423732 793333927 /nfs/dbraw/zinc/33/39/27/793333927.db2.gz OMAUJMYMKVITRY-VILJTGTESA-N 1 0 340.376 -1.353 20 0 EAADRO C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]1CCCO1 ZINC001157423772 793334794 /nfs/dbraw/zinc/33/47/94/793334794.db2.gz PKUYKQSOLLKVSL-UWVGGRQHSA-N 1 0 343.384 -3.023 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C[C@H]2COCC[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423777 793334113 /nfs/dbraw/zinc/33/41/13/793334113.db2.gz PVBMCRHFASJADZ-AXVRASOTSA-N 1 0 334.369 -2.675 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423778 793333557 /nfs/dbraw/zinc/33/35/57/793333557.db2.gz PVBMCRHFASJADZ-LVYBWGIDSA-N 1 0 334.369 -2.675 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)CC2CC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424278 793334481 /nfs/dbraw/zinc/33/44/81/793334481.db2.gz RCJCCXSTQFRZAO-XNHWVXRISA-N 1 0 332.397 -1.664 20 0 EAADRO CC[C@H](C)[C@@H]([NH3+])CC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157424460 793334560 /nfs/dbraw/zinc/33/45/60/793334560.db2.gz UUDMAKQVCSFZHM-RPSBJWJMSA-N 1 0 334.413 -1.290 20 0 EAADRO CC(=O)OC[C@H]([NH3+])C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157424465 793334665 /nfs/dbraw/zinc/33/46/65/793334665.db2.gz UXGCJYOXIDAXLC-WWCPSFTBSA-N 1 0 336.341 -3.163 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(C[NH3+])c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424467 793334601 /nfs/dbraw/zinc/33/46/01/793334601.db2.gz UXQSLIMGTCCEKM-BSVDJGSKSA-N 1 0 340.376 -1.281 20 0 EAADRO CC(C)C[C@@](C)([NH3+])C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157424471 793335233 /nfs/dbraw/zinc/33/52/33/793335233.db2.gz UYXBDQOLCWBXAE-MYMCGMNMSA-N 1 0 334.413 -1.290 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C2CCC(C[NH3+])CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425054 793334866 /nfs/dbraw/zinc/33/48/66/793334866.db2.gz ZABCOBXGAMMNKF-HLZGNJBZSA-N 1 0 346.424 -1.288 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C[C@H]2CCC[NH2+]C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425118 793333575 /nfs/dbraw/zinc/33/35/75/793333575.db2.gz ZZDYZVXWRJDLCO-AGKSMTHOSA-N 1 0 332.397 -1.664 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425120 793333987 /nfs/dbraw/zinc/33/39/87/793333987.db2.gz ZZDYZVXWRJDLCO-PCYSDXQQSA-N 1 0 332.397 -1.664 20 0 EAADRO CCOC1CC(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001157427020 793334253 /nfs/dbraw/zinc/33/42/53/793334253.db2.gz WBIRNTYOSAOZNL-UHFFFAOYSA-N 1 0 340.424 -1.144 20 0 EAADRO N[C@]1(C(=O)NCCNC(=O)C(F)(F)Br)CC[NH2+]C1 ZINC001157433516 793334887 /nfs/dbraw/zinc/33/48/87/793334887.db2.gz KWXANKKXEKLPKQ-MRVPVSSYSA-N 1 0 329.145 -1.103 20 0 EAADRO N[C@@]1(C(=O)NCCNC(=O)C(F)(F)Br)CC[NH2+]C1 ZINC001157433517 793333684 /nfs/dbraw/zinc/33/36/84/793333684.db2.gz KWXANKKXEKLPKQ-QMMMGPOBSA-N 1 0 329.145 -1.103 20 0 EAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCNC(=O)C(F)(F)Br ZINC001157433557 793334915 /nfs/dbraw/zinc/33/49/15/793334915.db2.gz LLCQIHBTSHTVLR-WDSKDSINSA-N 1 0 329.145 -1.247 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@H]1C[NH2+]C[C@H]1O ZINC001157433610 793334899 /nfs/dbraw/zinc/33/48/99/793334899.db2.gz LZTHMQFEQQDFPX-NTSWFWBYSA-N 1 0 330.129 -1.213 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@@H]1C[NH2+]C[C@H]1O ZINC001157433612 793334698 /nfs/dbraw/zinc/33/46/98/793334698.db2.gz LZTHMQFEQQDFPX-PHDIDXHHSA-N 1 0 330.129 -1.213 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@@H]1C[NH2+]C[C@@H]1O ZINC001157433613 793334020 /nfs/dbraw/zinc/33/40/20/793334020.db2.gz LZTHMQFEQQDFPX-RITPCOANSA-N 1 0 330.129 -1.213 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@H]1C[NH2+]C[C@@H]1O ZINC001157433615 793334497 /nfs/dbraw/zinc/33/44/97/793334497.db2.gz LZTHMQFEQQDFPX-WDSKDSINSA-N 1 0 330.129 -1.213 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001157434686 793333963 /nfs/dbraw/zinc/33/39/63/793333963.db2.gz RMHGTBZADRKTPR-PHDIDXHHSA-N 1 0 330.129 -1.071 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001157434687 793333742 /nfs/dbraw/zinc/33/37/42/793333742.db2.gz RMHGTBZADRKTPR-WDSKDSINSA-N 1 0 330.129 -1.071 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@@H]1C[NH2+]CCN1 ZINC001157434721 793334092 /nfs/dbraw/zinc/33/40/92/793334092.db2.gz STVXRXFNKHIJOV-LURJTMIESA-N 1 0 329.145 -1.232 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@H]1C[NH2+]CCN1 ZINC001157434722 793334447 /nfs/dbraw/zinc/33/44/47/793334447.db2.gz STVXRXFNKHIJOV-ZCFIWIBFSA-N 1 0 329.145 -1.232 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@H]1[NH2+]CC[C@H]1O ZINC001157434754 793334275 /nfs/dbraw/zinc/33/42/75/793334275.db2.gz UIXAMVVAWQUZLK-RITPCOANSA-N 1 0 330.129 -1.071 20 0 EAADRO O=C(NCCNC(=O)C(F)(F)Br)[C@H]1[NH2+]CC[C@@H]1O ZINC001157434755 793334720 /nfs/dbraw/zinc/33/47/20/793334720.db2.gz UIXAMVVAWQUZLK-WDSKDSINSA-N 1 0 330.129 -1.071 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157435014 793333673 /nfs/dbraw/zinc/33/36/73/793333673.db2.gz UVUCFFJNQPCECM-BXUZGUMPSA-N 1 0 329.397 -1.391 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157435025 793335031 /nfs/dbraw/zinc/33/50/31/793335031.db2.gz UVUCFFJNQPCECM-SMDDNHRTSA-N 1 0 329.397 -1.391 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](O)C(C)C ZINC001157439427 793334934 /nfs/dbraw/zinc/33/49/34/793334934.db2.gz AHABAHNGZQTHRX-DGCLKSJQSA-N 1 0 346.428 -1.040 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](O)C(C)C ZINC001157439428 793334359 /nfs/dbraw/zinc/33/43/59/793334359.db2.gz AHABAHNGZQTHRX-WCQYABFASA-N 1 0 346.428 -1.040 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001157439463 793333876 /nfs/dbraw/zinc/33/38/76/793333876.db2.gz BWRBFBNNGFJXFK-OAHLLOKOSA-N 1 0 342.440 -1.162 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001157439659 793335042 /nfs/dbraw/zinc/33/50/42/793335042.db2.gz GSMTXXOYBISURK-DGCLKSJQSA-N 1 0 330.429 -1.308 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001157439665 793334742 /nfs/dbraw/zinc/33/47/42/793334742.db2.gz GSMTXXOYBISURK-WCQYABFASA-N 1 0 330.429 -1.308 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001157439955 793334192 /nfs/dbraw/zinc/33/41/92/793334192.db2.gz QHGAQKHPAKWRES-GXTWGEPZSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001157439956 793334264 /nfs/dbraw/zinc/33/42/64/793334264.db2.gz QHGAQKHPAKWRES-TZMCWYRMSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)[C@H](O)C(C)C)CC1 ZINC001157440202 793334853 /nfs/dbraw/zinc/33/48/53/793334853.db2.gz WVQSMCQWBZCVLG-OAHLLOKOSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001157440351 793333638 /nfs/dbraw/zinc/33/36/38/793333638.db2.gz ZIRBNFCUYMVRCU-CYBMUJFWSA-N 1 0 326.397 -1.303 20 0 EAADRO CCOC(=O)c1c[nH]nc1CNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157449137 793333792 /nfs/dbraw/zinc/33/37/92/793333792.db2.gz SWCPPMSJGLQEDO-UHFFFAOYSA-N 1 0 347.397 -1.577 20 0 EAADRO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2nnn[n-]2)CC1 ZINC001157449152 793335171 /nfs/dbraw/zinc/33/51/71/793335171.db2.gz UHZYYBGIEJZKHZ-VIFPVBQESA-N 1 0 325.373 -1.657 20 0 EAADRO CCOC(=O)c1c[nH]nc1CNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157449260 793334573 /nfs/dbraw/zinc/33/45/73/793334573.db2.gz UPBLZJVDFPDHJA-SECBINFHSA-N 1 0 326.357 -1.022 20 0 EAADRO CCOC(=O)c1c[nH]nc1CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001157449287 793334139 /nfs/dbraw/zinc/33/41/39/793334139.db2.gz VUAQAARJSCNZFK-CBAPKCEASA-N 1 0 327.341 -1.973 20 0 EAADRO C[C@@H]1CCC[C@@H](C)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157450903 786714570 /nfs/dbraw/zinc/71/45/70/786714570.db2.gz HLRRAAWOIQHUGR-GHMZBOCLSA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@@H]1CCC[C@H](C)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157450905 786713952 /nfs/dbraw/zinc/71/39/52/786713952.db2.gz HLRRAAWOIQHUGR-PHIMTYICSA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@H]1CCC[C@H](C)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157450906 786714492 /nfs/dbraw/zinc/71/44/92/786714492.db2.gz HLRRAAWOIQHUGR-QWRGUYRKSA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(C)CC1 ZINC001157451246 793333702 /nfs/dbraw/zinc/33/37/02/793333702.db2.gz QMKGQOFPWMHLMF-RYUDHWBXSA-N 1 0 325.413 -1.785 20 0 EAADRO CN1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001157451598 793335001 /nfs/dbraw/zinc/33/50/01/793335001.db2.gz ZEOUGANFNQMYKW-UHFFFAOYSA-N 1 0 328.373 -3.932 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157453647 793335100 /nfs/dbraw/zinc/33/51/00/793335100.db2.gz AHZOPZLAPROTBO-NEPJUHHUSA-N 1 0 329.401 -1.063 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157453648 793334989 /nfs/dbraw/zinc/33/49/89/793334989.db2.gz AHZOPZLAPROTBO-NWDGAFQWSA-N 1 0 329.401 -1.063 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157453649 793334831 /nfs/dbraw/zinc/33/48/31/793334831.db2.gz AHZOPZLAPROTBO-RYUDHWBXSA-N 1 0 329.401 -1.063 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157453650 793334522 /nfs/dbraw/zinc/33/45/22/793334522.db2.gz AHZOPZLAPROTBO-VXGBXAGGSA-N 1 0 329.401 -1.063 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001157454092 793334394 /nfs/dbraw/zinc/33/43/94/793334394.db2.gz IUSVDQZZTLIKQI-UHFFFAOYSA-N 1 0 330.414 -1.440 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157454386 793334978 /nfs/dbraw/zinc/33/49/78/793334978.db2.gz NKLZHLODNXETAA-UHFFFAOYSA-N 1 0 332.430 -1.146 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157454627 793335147 /nfs/dbraw/zinc/33/51/47/793335147.db2.gz OTAPDLMXKJBVSD-UHFFFAOYSA-N 1 0 325.373 -1.240 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157454898 793334823 /nfs/dbraw/zinc/33/48/23/793334823.db2.gz XLCQUEPOLUSRHQ-SECBINFHSA-N 1 0 325.373 -1.241 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157454899 793334877 /nfs/dbraw/zinc/33/48/77/793334877.db2.gz XLCQUEPOLUSRHQ-VIFPVBQESA-N 1 0 325.373 -1.241 20 0 EAADRO CC(C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(C)C ZINC001157458245 793333997 /nfs/dbraw/zinc/33/39/97/793333997.db2.gz CQXGQNZOWUQBTC-UHFFFAOYSA-N 1 0 329.401 -2.061 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC001157462050 793336249 /nfs/dbraw/zinc/33/62/49/793336249.db2.gz PTBBRRPPASLRAS-LLVKDONJSA-N 1 0 344.441 -1.194 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC001157462051 793336031 /nfs/dbraw/zinc/33/60/31/793336031.db2.gz PTBBRRPPASLRAS-NSHDSACASA-N 1 0 344.441 -1.194 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)o1 ZINC001157465868 786717028 /nfs/dbraw/zinc/71/70/28/786717028.db2.gz DXZLDEKEWPGKHY-UHFFFAOYSA-N 1 0 326.357 -1.138 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)o1 ZINC001157466503 793336494 /nfs/dbraw/zinc/33/64/94/793336494.db2.gz MPTODGYAHOULKM-LBPRGKRZSA-N 1 0 339.396 -1.000 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)o1 ZINC001157467285 793336483 /nfs/dbraw/zinc/33/64/83/793336483.db2.gz VXRXNLTXGDFYPQ-UHFFFAOYSA-N 1 0 325.369 -1.125 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)o1 ZINC001157467342 793335843 /nfs/dbraw/zinc/33/58/43/793335843.db2.gz XDVOSLLVMCXDCG-UHFFFAOYSA-N 1 0 333.414 -1.092 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)o1 ZINC001157467360 793335900 /nfs/dbraw/zinc/33/59/00/793335900.db2.gz XOKFAPYIPJJYLA-UHFFFAOYSA-N 1 0 338.368 -2.025 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)nn1 ZINC001157473541 793335875 /nfs/dbraw/zinc/33/58/75/793335875.db2.gz FXJQKDMKQPEYOI-JTQLQIEISA-N 1 0 338.368 -1.966 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)nn1 ZINC001157473543 793335943 /nfs/dbraw/zinc/33/59/43/793335943.db2.gz FXJQKDMKQPEYOI-SNVBAGLBSA-N 1 0 338.368 -1.966 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157473582 793335549 /nfs/dbraw/zinc/33/55/49/793335549.db2.gz GNGSEEVJVNRLBG-UHFFFAOYSA-N 1 0 347.441 -1.024 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157473634 793335750 /nfs/dbraw/zinc/33/57/50/793335750.db2.gz IHNBRPLDHBJOGL-UHFFFAOYSA-N 1 0 332.430 -1.194 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157473656 793335575 /nfs/dbraw/zinc/33/55/75/793335575.db2.gz IWSZQRMIQQJYDJ-UHFFFAOYSA-N 1 0 348.411 -1.083 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cn(C)nn1)C(=O)NC(=O)NC1CC1 ZINC001157473881 793336692 /nfs/dbraw/zinc/33/66/92/793336692.db2.gz MXVJLLYEDSVTQU-SECBINFHSA-N 1 0 337.384 -1.099 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cn(C)nn1)C(=O)NC(=O)NC1CC1 ZINC001157473882 793336507 /nfs/dbraw/zinc/33/65/07/793336507.db2.gz MXVJLLYEDSVTQU-VIFPVBQESA-N 1 0 337.384 -1.099 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)o1 ZINC001157474168 793336292 /nfs/dbraw/zinc/33/62/92/793336292.db2.gz QPIYIZYTLWHCPC-UHFFFAOYSA-N 1 0 338.368 -1.042 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1nnc(C)o1 ZINC001157474175 793336158 /nfs/dbraw/zinc/33/61/58/793336158.db2.gz QVYDTLQPHQEIQS-UHFFFAOYSA-N 1 0 333.414 -1.044 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001157474188 793336625 /nfs/dbraw/zinc/33/66/25/793336625.db2.gz 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338.408 -1.833 20 0 EAADRO O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001157496119 793335928 /nfs/dbraw/zinc/33/59/28/793335928.db2.gz BYTLNMGBFBVEMT-QWHCGFSZSA-N 1 0 338.408 -1.833 20 0 EAADRO O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001157496120 793336700 /nfs/dbraw/zinc/33/67/00/793336700.db2.gz BYTLNMGBFBVEMT-STQMWFEESA-N 1 0 338.408 -1.833 20 0 EAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496471 793336468 /nfs/dbraw/zinc/33/64/68/793336468.db2.gz GDZSIJUQVRUZMC-QWHCGFSZSA-N 1 0 338.408 -1.214 20 0 EAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496472 793336366 /nfs/dbraw/zinc/33/63/66/793336366.db2.gz GDZSIJUQVRUZMC-STQMWFEESA-N 1 0 338.408 -1.214 20 0 EAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157497670 793335411 /nfs/dbraw/zinc/33/54/11/793335411.db2.gz RJMCIJCKPAOUTO-NEPJUHHUSA-N 1 0 341.412 -1.388 20 0 EAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157497671 793335976 /nfs/dbraw/zinc/33/59/76/793335976.db2.gz RJMCIJCKPAOUTO-VXGBXAGGSA-N 1 0 341.412 -1.388 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157497898 793335959 /nfs/dbraw/zinc/33/59/59/793335959.db2.gz UQBKAOOJUWKAKI-SDDRHHMPSA-N 1 0 342.396 -2.340 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157497901 793335772 /nfs/dbraw/zinc/33/57/72/793335772.db2.gz UQBKAOOJUWKAKI-SRVKXCTJSA-N 1 0 342.396 -2.340 20 0 EAADRO CNC(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001157501480 793336405 /nfs/dbraw/zinc/33/64/05/793336405.db2.gz BESYPHMTCDAOKD-UHFFFAOYSA-N 1 0 343.428 -1.303 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNC(=O)NC ZINC001157501867 793335344 /nfs/dbraw/zinc/33/53/44/793335344.db2.gz GYVSZYGZJRGUOS-JTQLQIEISA-N 1 0 344.416 -1.364 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNC(=O)NC ZINC001157501868 793335892 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CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCNC(=O)NC ZINC001157501904 793335642 /nfs/dbraw/zinc/33/56/42/793335642.db2.gz IKQUWUWQAQGSER-UHFFFAOYSA-N 1 0 344.416 -1.363 20 0 EAADRO CNC(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001157501905 793335601 /nfs/dbraw/zinc/33/56/01/793335601.db2.gz ILNYCRIJWZFDAY-GFCCVEGCSA-N 1 0 343.428 -1.303 20 0 EAADRO CNC(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001157501906 793335586 /nfs/dbraw/zinc/33/55/86/793335586.db2.gz ILNYCRIJWZFDAY-LBPRGKRZSA-N 1 0 343.428 -1.303 20 0 EAADRO CNC(=O)NCCC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001157502137 793336322 /nfs/dbraw/zinc/33/63/22/793336322.db2.gz JOSDDNXJCOEKKM-UHFFFAOYSA-N 1 0 339.400 -1.277 20 0 EAADRO CNC(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001157502153 793336378 /nfs/dbraw/zinc/33/63/78/793336378.db2.gz KMCKUDJIFDTCPV-UHFFFAOYSA-N 1 0 342.400 -1.610 20 0 EAADRO CNC(=O)NCCC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001157502203 793335732 /nfs/dbraw/zinc/33/57/32/793335732.db2.gz MTVUNTKXXDOEMU-UHFFFAOYSA-N 1 0 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CCNC(=O)CN(C)C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157679051 786777606 /nfs/dbraw/zinc/77/76/06/786777606.db2.gz NXOJCWJUOLMZRO-LLVKDONJSA-N 1 0 331.438 -1.005 20 0 EAADRO CCNC(=O)CN(C)C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157679052 786777369 /nfs/dbraw/zinc/77/73/69/786777369.db2.gz NXOJCWJUOLMZRO-NSHDSACASA-N 1 0 331.438 -1.005 20 0 EAADRO CCNC(=O)CN(C)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157679302 793338736 /nfs/dbraw/zinc/33/87/36/793338736.db2.gz QTKSRLSOIRJJQZ-QWRGUYRKSA-N 1 0 341.412 -1.965 20 0 EAADRO CCNC(=O)CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157679689 793338560 /nfs/dbraw/zinc/33/85/60/793338560.db2.gz VWSMGQZIWKBPCT-UHFFFAOYSA-N 1 0 344.372 -4.112 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(F)(C2CC2)C1 ZINC001157702994 793339162 /nfs/dbraw/zinc/33/91/62/793339162.db2.gz GSBROOTXXOGJKF-UHFFFAOYSA-N 1 0 343.359 -2.746 20 0 EAADRO C[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCCO1 ZINC001157703884 793339032 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EAADRO COC(=O)[C@@]1(F)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001157716486 793339921 /nfs/dbraw/zinc/33/99/21/793339921.db2.gz OBVUIRRVLIKYKH-UVPNAGLESA-N 1 0 332.332 -2.193 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2cncnc2C1 ZINC001157716805 793339090 /nfs/dbraw/zinc/33/90/90/793339090.db2.gz SVCPKYGAXILSPT-GWCFXTLKSA-N 1 0 346.391 -1.227 20 0 EAADRO C[N@H+](CCN1C(=O)CNC1=O)C[C@H]1CCCCN1C(=O)CC(N)=O ZINC001157728921 793340341 /nfs/dbraw/zinc/34/03/41/793340341.db2.gz LOIVOWUGVVOKCS-LLVKDONJSA-N 1 0 339.396 -1.274 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730336 793339231 /nfs/dbraw/zinc/33/92/31/793339231.db2.gz JRIDEFMZBUXSLI-CIUDSAMLSA-N 1 0 336.339 -1.688 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730339 793339978 /nfs/dbraw/zinc/33/99/78/793339978.db2.gz JRIDEFMZBUXSLI-YIZRAAEISA-N 1 0 336.339 -1.688 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157731049 786789263 /nfs/dbraw/zinc/78/92/63/786789263.db2.gz UYEUBVSVCRPOBR-SECBINFHSA-N 1 0 329.369 -1.175 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157731050 786789087 /nfs/dbraw/zinc/78/90/87/786789087.db2.gz UYEUBVSVCRPOBR-VIFPVBQESA-N 1 0 329.369 -1.175 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157736227 793339647 /nfs/dbraw/zinc/33/96/47/793339647.db2.gz BZFRTJCEHMPXRC-UHFFFAOYSA-N 1 0 326.401 -1.096 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)[nH]1 ZINC001157736288 793338539 /nfs/dbraw/zinc/33/85/39/793338539.db2.gz DJXABZJOQIIEPR-UHFFFAOYSA-N 1 0 337.384 -1.260 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157736289 793339252 /nfs/dbraw/zinc/33/92/52/793339252.db2.gz DKKSQAGZHLWBFK-SECBINFHSA-N 1 0 339.400 -1.014 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157736290 793340106 /nfs/dbraw/zinc/34/01/06/793340106.db2.gz DKKSQAGZHLWBFK-VIFPVBQESA-N 1 0 339.400 -1.014 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157736299 793339386 /nfs/dbraw/zinc/33/93/86/793339386.db2.gz DOCQZUFPWUGHCX-UHFFFAOYSA-N 1 0 326.401 -1.096 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157736400 793339555 /nfs/dbraw/zinc/33/95/55/793339555.db2.gz HMJOKOFILANLNK-UHFFFAOYSA-N 1 0 325.373 -1.403 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)[nH]1 ZINC001157736662 793339573 /nfs/dbraw/zinc/33/95/73/793339573.db2.gz JQWZAPIOINZTJO-UHFFFAOYSA-N 1 0 344.441 -1.213 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001157736912 793338948 /nfs/dbraw/zinc/33/89/48/793338948.db2.gz OTEQLEMKTOKHGM-UHFFFAOYSA-N 1 0 337.384 -2.290 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)[nH]1 ZINC001157736961 793338582 /nfs/dbraw/zinc/33/85/82/793338582.db2.gz PLMVVUACKGOWCC-LBPRGKRZSA-N 1 0 338.412 -1.265 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157737317 793338851 /nfs/dbraw/zinc/33/88/51/793338851.db2.gz 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ZINC001157745173 793340084 /nfs/dbraw/zinc/34/00/84/793340084.db2.gz GLXWGWBWYBRMPM-UHFFFAOYSA-N 1 0 326.401 -1.096 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)[nH]1 ZINC001157745693 793339265 /nfs/dbraw/zinc/33/92/65/793339265.db2.gz KGGPCDKKSZRCCZ-UHFFFAOYSA-N 1 0 349.395 -1.651 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)[nH]1 ZINC001157745745 793339017 /nfs/dbraw/zinc/33/90/17/793339017.db2.gz NCUDNUCMNKUPOQ-GFCCVEGCSA-N 1 0 338.412 -1.096 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)[nH]1 ZINC001157745746 793338789 /nfs/dbraw/zinc/33/87/89/793338789.db2.gz NCUDNUCMNKUPOQ-LBPRGKRZSA-N 1 0 338.412 -1.096 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157746515 793338698 /nfs/dbraw/zinc/33/86/98/793338698.db2.gz TXDAWDXOLXNQSR-GFCCVEGCSA-N 1 0 329.401 -1.225 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157746518 793338602 /nfs/dbraw/zinc/33/86/02/793338602.db2.gz TXDAWDXOLXNQSR-LBPRGKRZSA-N 1 0 329.401 -1.225 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157746619 793339821 /nfs/dbraw/zinc/33/98/21/793339821.db2.gz VYUMCQBOCRXVGS-UHFFFAOYSA-N 1 0 332.430 -1.309 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)[nH]1 ZINC001157746682 793339185 /nfs/dbraw/zinc/33/91/85/793339185.db2.gz XQQOKGRANIGXFF-UHFFFAOYSA-N 1 0 337.384 -1.307 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)[nH]1 ZINC001157746787 793339662 /nfs/dbraw/zinc/33/96/62/793339662.db2.gz ZLDXYYYTRVMOLS-LLVKDONJSA-N 1 0 338.412 -1.001 20 0 EAADRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)[nH]1 ZINC001157746804 793339120 /nfs/dbraw/zinc/33/91/20/793339120.db2.gz ZLDXYYYTRVMOLS-NSHDSACASA-N 1 0 338.412 -1.001 20 0 EAADRO Cc1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001157752974 793339377 /nfs/dbraw/zinc/33/93/77/793339377.db2.gz MAVPANYJNOFPIL-UHFFFAOYSA-N 1 0 334.380 -1.547 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157755321 793340408 /nfs/dbraw/zinc/34/04/08/793340408.db2.gz PDGTXPOGAXPNHC-FZMZJTMJSA-N 1 0 332.376 -1.721 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157755322 793340144 /nfs/dbraw/zinc/34/01/44/793340144.db2.gz PDGTXPOGAXPNHC-SMDDNHRTSA-N 1 0 332.376 -1.721 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780085 793338933 /nfs/dbraw/zinc/33/89/33/793338933.db2.gz BRXIIHJMGSIGFZ-GFCCVEGCSA-N 1 0 325.406 -1.080 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780086 793340290 /nfs/dbraw/zinc/34/02/90/793340290.db2.gz BRXIIHJMGSIGFZ-LBPRGKRZSA-N 1 0 325.406 -1.080 20 0 EAADRO C[C@@H]1CCCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157780937 793339356 /nfs/dbraw/zinc/33/93/56/793339356.db2.gz KDRFXVVJQCDJDK-LLVKDONJSA-N 1 0 341.412 -2.058 20 0 EAADRO C[C@H]1CCCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157780938 793339855 /nfs/dbraw/zinc/33/98/55/793339855.db2.gz KDRFXVVJQCDJDK-NSHDSACASA-N 1 0 341.412 -2.058 20 0 EAADRO Cc1cn(C)nc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157783807 793339495 /nfs/dbraw/zinc/33/94/95/793339495.db2.gz SVRSLWAQTWDJIA-UHFFFAOYSA-N 1 0 336.396 -1.604 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157792664 793338994 /nfs/dbraw/zinc/33/89/94/793338994.db2.gz FOFUXMYLGMNVSL-BHDSKKPTSA-N 1 0 332.376 -1.593 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157792665 793340158 /nfs/dbraw/zinc/34/01/58/793340158.db2.gz FOFUXMYLGMNVSL-PKFCDNJMSA-N 1 0 332.376 -1.593 20 0 EAADRO C[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1[NH3+] ZINC001157793936 793338671 /nfs/dbraw/zinc/33/86/71/793338671.db2.gz PSZRZVDTVSBGFT-ZJUUUORDSA-N 1 0 334.380 -1.371 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)Cc1ccn(C)n1)S(C)(=O)=O ZINC001157801565 793340225 /nfs/dbraw/zinc/34/02/25/793340225.db2.gz IOBXRUSMMOTWKA-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1ccn(C)n1 ZINC001157802289 793340246 /nfs/dbraw/zinc/34/02/46/793340246.db2.gz XXZMAINTFXNQRC-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO Cn1ccc(CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001157809658 793338810 /nfs/dbraw/zinc/33/88/10/793338810.db2.gz RZFNAGBAJBMVHL-UHFFFAOYSA-N 1 0 336.396 -1.983 20 0 EAADRO COCC1(CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001157815211 793340417 /nfs/dbraw/zinc/34/04/17/793340417.db2.gz VPVADQLXAOJALH-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO Cn1ccc(CC(=O)NCCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC001157815270 793338985 /nfs/dbraw/zinc/33/89/85/793338985.db2.gz YCBQIQVIKIYQJI-UHFFFAOYSA-N 1 0 348.407 -1.344 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CNC(=O)N1CCCC1)C(=O)NC(N)=O ZINC001157852537 793341233 /nfs/dbraw/zinc/34/12/33/793341233.db2.gz AUFVFFOEYMDWBM-JTQLQIEISA-N 1 0 342.400 -1.529 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CNC(=O)N1CCCC1)C(=O)NC(N)=O ZINC001157852538 793342033 /nfs/dbraw/zinc/34/20/33/793342033.db2.gz AUFVFFOEYMDWBM-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO C[C@H]1C[C@@H](CO)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157853821 793342188 /nfs/dbraw/zinc/34/21/88/793342188.db2.gz PKLQXYVDRXMEOO-UWVGGRQHSA-N 1 0 343.384 -3.477 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157854449 793341972 /nfs/dbraw/zinc/34/19/72/793341972.db2.gz DMHXBYUFMCUOSS-WHOHXGKFSA-N 1 0 344.387 -1.628 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157857012 793341047 /nfs/dbraw/zinc/34/10/47/793341047.db2.gz YXMYJABURPWQMQ-RKDXNWHRSA-N 1 0 347.347 -3.775 20 0 EAADRO CC1CC(N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157862532 793341307 /nfs/dbraw/zinc/34/13/07/793341307.db2.gz HRKCVFFJDJLYHX-UHFFFAOYSA-N 1 0 327.385 -2.449 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157863032 793342233 /nfs/dbraw/zinc/34/22/33/793342233.db2.gz PXPAEBCVAXGANX-UHFFFAOYSA-N 1 0 332.382 -2.434 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCCC[NH2+]CCN1CCNC1=O ZINC001157863270 793341373 /nfs/dbraw/zinc/34/13/73/793341373.db2.gz BACOREQPNUZVHA-UHFFFAOYSA-N 1 0 340.428 -1.087 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)CNC(=O)N2CCCC2)nc1=O ZINC001157863289 793342074 /nfs/dbraw/zinc/34/20/74/793342074.db2.gz BJSWHCDHMXVEJQ-UHFFFAOYSA-N 1 0 339.400 -1.490 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157863483 793341327 /nfs/dbraw/zinc/34/13/27/793341327.db2.gz ZZQJPHCRGOVXIU-CBAPKCEASA-N 1 0 339.352 -2.946 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)nn1 ZINC001157863529 793340990 /nfs/dbraw/zinc/34/09/90/793340990.db2.gz HYQOHVSXUYBBEG-SECBINFHSA-N 1 0 341.372 -1.783 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)nn1 ZINC001157863530 793342047 /nfs/dbraw/zinc/34/20/47/793342047.db2.gz HYQOHVSXUYBBEG-VIFPVBQESA-N 1 0 341.372 -1.783 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CNC(=O)N1CCCC1 ZINC001157863542 793341916 /nfs/dbraw/zinc/34/19/16/793341916.db2.gz IIMGRROIVMUCJI-UHFFFAOYSA-N 1 0 349.457 -1.563 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)N1CCCC1 ZINC001157863552 793340569 /nfs/dbraw/zinc/34/05/69/793340569.db2.gz IVSGYTNXQPUOFB-UHFFFAOYSA-N 1 0 342.400 -1.657 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001157863688 793341705 /nfs/dbraw/zinc/34/17/05/793341705.db2.gz OUJSGOQNGFEFDP-LLVKDONJSA-N 1 0 339.396 -1.307 20 0 EAADRO O=C(CNC(=O)N1CCCC1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001157863689 793341820 /nfs/dbraw/zinc/34/18/20/793341820.db2.gz OUJSGOQNGFEFDP-NSHDSACASA-N 1 0 339.396 -1.307 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)N1CCCC1 ZINC001157863706 793340669 /nfs/dbraw/zinc/34/06/69/793340669.db2.gz POZBKMAIPULEQO-UHFFFAOYSA-N 1 0 328.373 -1.917 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)CNC(=O)N1CCCC1 ZINC001157863804 793341695 /nfs/dbraw/zinc/34/16/95/793341695.db2.gz VJCOKKKDZKTFRO-UHFFFAOYSA-N 1 0 334.442 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cn(CCOC)nn1 ZINC001157873664 793342023 /nfs/dbraw/zinc/34/20/23/793342023.db2.gz ACZOWPKVLOSXDO-UHFFFAOYSA-N 1 0 341.372 -1.910 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]CCS(C)(=O)=O)nn1 ZINC001157874271 793340749 /nfs/dbraw/zinc/34/07/49/793340749.db2.gz MAEGNBFZDFHTFG-UHFFFAOYSA-N 1 0 333.414 -1.321 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)nn1 ZINC001157874280 793341244 /nfs/dbraw/zinc/34/12/44/793341244.db2.gz MHULZQSAZBUGBD-UHFFFAOYSA-N 1 0 348.429 -1.817 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)nn1 ZINC001157874286 793341384 /nfs/dbraw/zinc/34/13/84/793341384.db2.gz MOOZPHKVKNDYOS-UHFFFAOYSA-N 1 0 327.345 -2.171 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]CCN2CCNC2=O)nn1 ZINC001157874542 793341733 /nfs/dbraw/zinc/34/17/33/793341733.db2.gz SELUMGDKPCFOKB-UHFFFAOYSA-N 1 0 339.400 -1.341 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)nn1 ZINC001157874550 793341189 /nfs/dbraw/zinc/34/11/89/793341189.db2.gz SNUXCOIGYLZLNA-JTQLQIEISA-N 1 0 338.368 -1.561 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)nn1 ZINC001157874551 793341685 /nfs/dbraw/zinc/34/16/85/793341685.db2.gz SNUXCOIGYLZLNA-SNVBAGLBSA-N 1 0 338.368 -1.561 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001157874858 793340646 /nfs/dbraw/zinc/34/06/46/793340646.db2.gz WTBSUZLMZJDKGI-UHFFFAOYSA-N 1 0 338.372 -1.744 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)nn1 ZINC001157874939 793341213 /nfs/dbraw/zinc/34/12/13/793341213.db2.gz ZQOVIEHQFJBZDS-JTQLQIEISA-N 1 0 337.388 -1.081 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)nn1 ZINC001157874940 793340687 /nfs/dbraw/zinc/34/06/87/793340687.db2.gz ZQOVIEHQFJBZDS-SNVBAGLBSA-N 1 0 337.388 -1.081 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877511 786855292 /nfs/dbraw/zinc/85/52/92/786855292.db2.gz GNYSJLQHZBGKJR-BDAKNGLRSA-N 1 0 347.359 -1.164 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877603 786855700 /nfs/dbraw/zinc/85/57/00/786855700.db2.gz KJPNNJJHLAGLEX-KZVJFYERSA-N 1 0 327.303 -1.560 20 0 EAADRO C[C@H]1C[C@@H](CF)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157877668 793341515 /nfs/dbraw/zinc/34/15/15/793341515.db2.gz MYGGKJWSWOTTHK-UWVGGRQHSA-N 1 0 345.375 -2.500 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1cnnn1C ZINC001157884671 793340885 /nfs/dbraw/zinc/34/08/85/793340885.db2.gz DWXXMIBJKDRBJO-SNVBAGLBSA-N 1 0 337.384 -1.064 20 0 EAADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCNC(=O)C1 ZINC001157889084 793342243 /nfs/dbraw/zinc/34/22/43/793342243.db2.gz IQHZSCVLHPTNKI-LLVKDONJSA-N 1 0 329.422 -1.251 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCNC(=O)C1 ZINC001157889085 793342011 /nfs/dbraw/zinc/34/20/11/793342011.db2.gz IQHZSCVLHPTNKI-NSHDSACASA-N 1 0 329.422 -1.251 20 0 EAADRO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCNC(=O)C1 ZINC001157891160 793341534 /nfs/dbraw/zinc/34/15/34/793341534.db2.gz VFYUVELWPSROCC-STQMWFEESA-N 1 0 339.440 -1.218 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1COC(=O)N1 ZINC001157892358 793341161 /nfs/dbraw/zinc/34/11/61/793341161.db2.gz AFFDPMBGNMGVNI-NXEZZACHSA-N 1 0 341.368 -1.397 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001157892359 793340613 /nfs/dbraw/zinc/34/06/13/793340613.db2.gz AFFDPMBGNMGVNI-ZJUUUORDSA-N 1 0 341.368 -1.397 20 0 EAADRO O=C(CCOCC1CC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157894242 793340787 /nfs/dbraw/zinc/34/07/87/793340787.db2.gz WLIMAMJVHIYIPX-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001157898970 793342120 /nfs/dbraw/zinc/34/21/20/793342120.db2.gz FCCSFKVGDQWMMZ-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001157898971 793341620 /nfs/dbraw/zinc/34/16/20/793341620.db2.gz FCCSFKVGDQWMMZ-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001157899143 793341846 /nfs/dbraw/zinc/34/18/46/793341846.db2.gz LDKNCAHPZGVGNO-SECBINFHSA-N 1 0 334.398 -2.173 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001157899144 786893508 /nfs/dbraw/zinc/89/35/08/786893508.db2.gz LDKNCAHPZGVGNO-VIFPVBQESA-N 1 0 334.398 -2.173 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCc1ccnn1C ZINC001157899491 793341150 /nfs/dbraw/zinc/34/11/50/793341150.db2.gz RIOPUIZJNCNSLG-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157899720 793341197 /nfs/dbraw/zinc/34/11/97/793341197.db2.gz BRKBVZQQMFPART-SECBINFHSA-N 1 0 329.369 -1.317 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157899722 793342219 /nfs/dbraw/zinc/34/22/19/793342219.db2.gz BRKBVZQQMFPART-VIFPVBQESA-N 1 0 329.369 -1.317 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001157899901 793341608 /nfs/dbraw/zinc/34/16/08/793341608.db2.gz ZAZSRNGHQUPAOC-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCOCCOC ZINC001157899943 786896030 /nfs/dbraw/zinc/89/60/30/786896030.db2.gz ZRPBZRULUJZFSA-UHFFFAOYSA-N 1 0 325.431 -1.315 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1ncn(C)n1 ZINC001157902227 793341767 /nfs/dbraw/zinc/34/17/67/793341767.db2.gz HLDKTQCJRUYXMM-SNVBAGLBSA-N 1 0 337.384 -1.064 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1cn(C)nn1 ZINC001157902936 793341630 /nfs/dbraw/zinc/34/16/30/793341630.db2.gz QOTUBTBGJJJHDT-SNVBAGLBSA-N 1 0 337.384 -1.064 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905300 793341039 /nfs/dbraw/zinc/34/10/39/793341039.db2.gz SCVXLARIKIWMRH-AGIUHOORSA-N 1 0 346.449 -1.398 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905301 793341090 /nfs/dbraw/zinc/34/10/90/793341090.db2.gz SCVXLARIKIWMRH-AVGNSLFASA-N 1 0 346.449 -1.398 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905302 793341008 /nfs/dbraw/zinc/34/10/08/793341008.db2.gz SCVXLARIKIWMRH-FRRDWIJNSA-N 1 0 346.449 -1.398 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905303 793342253 /nfs/dbraw/zinc/34/22/53/793342253.db2.gz SCVXLARIKIWMRH-RWMBFGLXSA-N 1 0 346.449 -1.398 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)NCC(C)C ZINC001157906109 793341502 /nfs/dbraw/zinc/34/15/02/793341502.db2.gz ADSKWBCZGSXRFG-UHFFFAOYSA-N 1 0 336.458 -1.206 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001157906137 786904793 /nfs/dbraw/zinc/90/47/93/786904793.db2.gz BWMVDKFZMQBGBJ-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001157906188 793342596 /nfs/dbraw/zinc/34/25/96/793342596.db2.gz DYRVRMAJPJCNHK-MRVPVSSYSA-N 1 0 337.402 -2.395 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001157906189 793343498 /nfs/dbraw/zinc/34/34/98/793343498.db2.gz DYRVRMAJPJCNHK-QMMMGPOBSA-N 1 0 337.402 -2.395 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001157906211 793343331 /nfs/dbraw/zinc/34/33/31/793343331.db2.gz GEJYEMUAFQMTGN-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157906216 793343556 /nfs/dbraw/zinc/34/35/56/793343556.db2.gz GKQZWFLXCRUEDO-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157906217 793342962 /nfs/dbraw/zinc/34/29/62/793342962.db2.gz GKQZWFLXCRUEDO-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001157906226 793343468 /nfs/dbraw/zinc/34/34/68/793343468.db2.gz GTPJQMHBXWCRFR-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)CCS(=O)(=O)NC)nn1 ZINC001157906238 793343360 /nfs/dbraw/zinc/34/33/60/793343360.db2.gz HBMNJDGAPIFFDF-UHFFFAOYSA-N 1 0 332.430 -1.167 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001157906296 793343072 /nfs/dbraw/zinc/34/30/72/793343072.db2.gz JKEHCJCRPHVSGQ-UHFFFAOYSA-N 1 0 349.413 -2.427 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)CCS(=O)(=O)NC)C1=O ZINC001157906461 786905440 /nfs/dbraw/zinc/90/54/40/786905440.db2.gz LIKZOOMUZHJAHS-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)CCS(=O)(=O)NC)C1=O ZINC001157906463 786905650 /nfs/dbraw/zinc/90/56/50/786905650.db2.gz LIKZOOMUZHJAHS-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001157906473 793343418 /nfs/dbraw/zinc/34/34/18/793343418.db2.gz LOVAYUNZYGWFCZ-UHFFFAOYSA-N 1 0 349.457 -1.947 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001157906577 793342489 /nfs/dbraw/zinc/34/24/89/793342489.db2.gz NFCBAPRDNNEMJN-UHFFFAOYSA-N 1 0 334.442 -1.452 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001157906588 793343046 /nfs/dbraw/zinc/34/30/46/793343046.db2.gz NMKVYLUAJGYSIC-UHFFFAOYSA-N 1 0 346.457 -1.246 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1cncn1C ZINC001157906590 793343390 /nfs/dbraw/zinc/34/33/90/793343390.db2.gz NMRXKHKSIKQBOQ-UHFFFAOYSA-N 1 0 346.457 -1.246 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001157906800 793343166 /nfs/dbraw/zinc/34/31/66/793343166.db2.gz PMHNYKSPTHVQFX-JTQLQIEISA-N 1 0 332.430 -1.089 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@H](C)c1nncn1C ZINC001157906801 786903722 /nfs/dbraw/zinc/90/37/22/786903722.db2.gz PMHNYKSPTHVQFX-SNVBAGLBSA-N 1 0 332.430 -1.089 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001157906855 786905511 /nfs/dbraw/zinc/90/55/11/786905511.db2.gz QSOOYMUAAMFURB-UHFFFAOYSA-N 1 0 348.425 -1.829 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1nccn1C ZINC001157906857 786905760 /nfs/dbraw/zinc/90/57/60/786905760.db2.gz QTMMHSWKGKKASX-UHFFFAOYSA-N 1 0 346.457 -1.246 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001157906870 793342930 /nfs/dbraw/zinc/34/29/30/793342930.db2.gz RBZMMYBCBMFMRA-GFCCVEGCSA-N 1 0 347.441 -1.721 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001157906871 793342724 /nfs/dbraw/zinc/34/27/24/793342724.db2.gz RBZMMYBCBMFMRA-LBPRGKRZSA-N 1 0 347.441 -1.721 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001157906875 793342827 /nfs/dbraw/zinc/34/28/27/793342827.db2.gz RHVOMGPHPCRPFY-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1ccnn1C ZINC001157906881 793342480 /nfs/dbraw/zinc/34/24/80/793342480.db2.gz RYLLOQXZPJVKHP-UHFFFAOYSA-N 1 0 346.457 -1.246 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001157907104 793342747 /nfs/dbraw/zinc/34/27/47/793342747.db2.gz TXOLJEXULIZCOY-JTQLQIEISA-N 1 0 334.442 -1.311 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001157907105 793343265 /nfs/dbraw/zinc/34/32/65/793343265.db2.gz TXOLJEXULIZCOY-SNVBAGLBSA-N 1 0 334.442 -1.311 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001157907108 793342968 /nfs/dbraw/zinc/34/29/68/793342968.db2.gz UAEFONKYKILYBL-UHFFFAOYSA-N 1 0 335.430 -1.953 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001157907120 793342737 /nfs/dbraw/zinc/34/27/37/793342737.db2.gz UNBMQRLEUBWUIJ-UHFFFAOYSA-N 1 0 344.459 -2.429 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001157907127 786904892 /nfs/dbraw/zinc/90/48/92/786904892.db2.gz UZXNRBMDYNELHL-UHFFFAOYSA-N 1 0 347.445 -1.851 20 0 EAADRO CCCn1nnnc1C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157907139 793342643 /nfs/dbraw/zinc/34/26/43/793342643.db2.gz VKAYKXTUGCHGIS-UHFFFAOYSA-N 1 0 347.445 -1.382 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001157907152 793342541 /nfs/dbraw/zinc/34/25/41/793342541.db2.gz VRLDBTGAEVCGFV-GFCCVEGCSA-N 1 0 348.469 -1.062 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001157907153 793343533 /nfs/dbraw/zinc/34/35/33/793343533.db2.gz VRLDBTGAEVCGFV-LBPRGKRZSA-N 1 0 348.469 -1.062 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001157907160 793342563 /nfs/dbraw/zinc/34/25/63/793342563.db2.gz VTEDJNJBODOQFH-LLVKDONJSA-N 1 0 344.441 -1.199 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001157907161 793342783 /nfs/dbraw/zinc/34/27/83/793342783.db2.gz VTEDJNJBODOQFH-NSHDSACASA-N 1 0 344.441 -1.199 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001157907173 793342448 /nfs/dbraw/zinc/34/24/48/793342448.db2.gz WLRZYAOPUHDAGO-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001157907174 793343012 /nfs/dbraw/zinc/34/30/12/793343012.db2.gz WLRZYAOPUHDAGO-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001157907332 793342704 /nfs/dbraw/zinc/34/27/04/793342704.db2.gz XNKFSDKVNGYCNP-UHFFFAOYSA-N 1 0 347.397 -1.352 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001157907395 793343337 /nfs/dbraw/zinc/34/33/37/793343337.db2.gz ZGWCIFUEDZTDCH-UHFFFAOYSA-N 1 0 348.433 -2.456 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001157911774 793342873 /nfs/dbraw/zinc/34/28/73/793342873.db2.gz AGMCBKHRBJWQOH-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157911777 793342674 /nfs/dbraw/zinc/34/26/74/793342674.db2.gz AJEBJDJTKOEDGY-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157911778 793343386 /nfs/dbraw/zinc/34/33/86/793343386.db2.gz AJEBJDJTKOEDGY-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001157911779 793342521 /nfs/dbraw/zinc/34/25/21/793342521.db2.gz ANYMLCPKMUVIDA-UHFFFAOYSA-N 1 0 334.402 -2.356 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1ncccn1 ZINC001157911806 793342469 /nfs/dbraw/zinc/34/24/69/793342469.db2.gz BPMVJRIAXXKYHN-UHFFFAOYSA-N 1 0 344.441 -1.189 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001157911838 793342981 /nfs/dbraw/zinc/34/29/81/793342981.db2.gz CMBYQEYALFBXEB-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001157911842 793342941 /nfs/dbraw/zinc/34/29/41/793342941.db2.gz CSLSKNGFTYPLJK-UHFFFAOYSA-N 1 0 347.445 -1.851 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001157911847 793343484 /nfs/dbraw/zinc/34/34/84/793343484.db2.gz CZVGIYUVIUNEBL-LLVKDONJSA-N 1 0 349.457 -1.949 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001157911848 793343592 /nfs/dbraw/zinc/34/35/92/793343592.db2.gz CZVGIYUVIUNEBL-NSHDSACASA-N 1 0 349.457 -1.949 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157911857 793343642 /nfs/dbraw/zinc/34/36/42/793343642.db2.gz DRFUEYYFMAUMHT-UHFFFAOYSA-N 1 0 337.446 -2.043 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157911865 793343629 /nfs/dbraw/zinc/34/36/29/793343629.db2.gz DTBRBQRLYKZPAU-UHFFFAOYSA-N 1 0 337.402 -2.523 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]CCOCCO ZINC001157911866 793342806 /nfs/dbraw/zinc/34/28/06/793342806.db2.gz DTOPYRHDZUSAJI-UHFFFAOYSA-N 1 0 340.446 -2.171 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157911872 793343194 /nfs/dbraw/zinc/34/31/94/793343194.db2.gz DZJBGZSQHWWHRL-GFCCVEGCSA-N 1 0 338.474 -1.019 20 0 EAADRO C[C@H](O)CCC[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157911874 793342888 /nfs/dbraw/zinc/34/28/88/793342888.db2.gz DZJBGZSQHWWHRL-LBPRGKRZSA-N 1 0 338.474 -1.019 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157911891 793343022 /nfs/dbraw/zinc/34/30/22/793343022.db2.gz FENURCJXYGEHNJ-JTQLQIEISA-N 1 0 337.446 -2.045 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157911893 793343249 /nfs/dbraw/zinc/34/32/49/793343249.db2.gz FENURCJXYGEHNJ-SNVBAGLBSA-N 1 0 337.446 -2.045 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C)C(N)=O ZINC001157911941 793342797 /nfs/dbraw/zinc/34/27/97/793342797.db2.gz GJUWIJFAWXIIHE-JTQLQIEISA-N 1 0 337.446 -1.916 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C)C(N)=O ZINC001157911943 793343493 /nfs/dbraw/zinc/34/34/93/793343493.db2.gz GJUWIJFAWXIIHE-SNVBAGLBSA-N 1 0 337.446 -1.916 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]CCn1cccn1 ZINC001157911995 793343526 /nfs/dbraw/zinc/34/35/26/793343526.db2.gz HFVWWQXGKQGDDL-UHFFFAOYSA-N 1 0 346.457 -1.283 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157912066 793342551 /nfs/dbraw/zinc/34/25/51/793342551.db2.gz HTTLZKZOVLYJRF-UHFFFAOYSA-N 1 0 332.430 -1.167 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157912068 786905071 /nfs/dbraw/zinc/90/50/71/786905071.db2.gz HWBUPTDOFGRUQA-UHFFFAOYSA-N 1 0 332.430 -1.167 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1ccn(C)n1 ZINC001157912111 793343454 /nfs/dbraw/zinc/34/34/54/793343454.db2.gz JZYLYNIRVFIZQF-UHFFFAOYSA-N 1 0 346.457 -1.246 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001157912135 793342852 /nfs/dbraw/zinc/34/28/52/793342852.db2.gz KSTSXDMPRPGPGF-LLVKDONJSA-N 1 0 349.457 -1.901 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001157912136 793342862 /nfs/dbraw/zinc/34/28/62/793342862.db2.gz KSTSXDMPRPGPGF-NSHDSACASA-N 1 0 349.457 -1.901 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001157912303 793342461 /nfs/dbraw/zinc/34/24/61/793342461.db2.gz NIDYXRFPBVWNET-UHFFFAOYSA-N 1 0 344.437 -1.080 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001157912307 793343749 /nfs/dbraw/zinc/34/37/49/793343749.db2.gz NLURXMTUUVHCPU-UHFFFAOYSA-N 1 0 334.442 -1.452 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001157912319 793343507 /nfs/dbraw/zinc/34/35/07/793343507.db2.gz ODTQEOGCNKTFJK-JTQLQIEISA-N 1 0 335.430 -2.291 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001157912320 793343656 /nfs/dbraw/zinc/34/36/56/793343656.db2.gz ODTQEOGCNKTFJK-SNVBAGLBSA-N 1 0 335.430 -2.291 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157912345 793342576 /nfs/dbraw/zinc/34/25/76/793342576.db2.gz PHMKUDMAVCECJE-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157912512 793343062 /nfs/dbraw/zinc/34/30/62/793343062.db2.gz RNJZFBYQROJBIA-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001157912519 793343230 /nfs/dbraw/zinc/34/32/30/793343230.db2.gz RVDALFNUVWPJBU-UHFFFAOYSA-N 1 0 345.429 -1.457 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001157912521 793343215 /nfs/dbraw/zinc/34/32/15/793343215.db2.gz RWRGQSNLDWNZAP-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]Cc1nnnn1C(C)C ZINC001157912524 793343661 /nfs/dbraw/zinc/34/36/61/793343661.db2.gz SEHGBWIMZVSEPL-UHFFFAOYSA-N 1 0 347.445 -1.211 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001157912527 793342919 /nfs/dbraw/zinc/34/29/19/793342919.db2.gz SEXATGWAKOFPFO-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001157912538 793342511 /nfs/dbraw/zinc/34/25/11/793342511.db2.gz SJGUUTZKTCZPAA-UHFFFAOYSA-N 1 0 347.445 -1.888 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C)[nH]1 ZINC001157912608 793342608 /nfs/dbraw/zinc/34/26/08/793342608.db2.gz SZTKWQUSVXGXDE-UHFFFAOYSA-N 1 0 347.445 -1.553 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001157912635 793342992 /nfs/dbraw/zinc/34/29/92/793342992.db2.gz UJGOWHGFFYJBLW-UHFFFAOYSA-N 1 0 347.445 -1.851 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)CCS(=O)(=O)NC)n1C ZINC001157912671 793343571 /nfs/dbraw/zinc/34/35/71/793343571.db2.gz UOJARUFNZHNWNI-UHFFFAOYSA-N 1 0 346.457 -1.087 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1cnon1 ZINC001157912672 793343425 /nfs/dbraw/zinc/34/34/25/793343425.db2.gz UUUBFECLTMYOCC-UHFFFAOYSA-N 1 0 334.402 -1.596 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001157912681 793343480 /nfs/dbraw/zinc/34/34/80/793343480.db2.gz VJKKWHAJUBRGCP-UHFFFAOYSA-N 1 0 349.457 -1.901 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001157912684 786908245 /nfs/dbraw/zinc/90/82/45/786908245.db2.gz VOKSYESPYOMLPX-UHFFFAOYSA-N 1 0 347.445 -1.851 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001157912711 793343741 /nfs/dbraw/zinc/34/37/41/793343741.db2.gz WAZKUOZJUIGSFP-GFCCVEGCSA-N 1 0 336.458 -1.143 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001157912713 793343521 /nfs/dbraw/zinc/34/35/21/793343521.db2.gz WAZKUOZJUIGSFP-LBPRGKRZSA-N 1 0 336.458 -1.143 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CCn1nc(C)nc1C ZINC001157912757 793343516 /nfs/dbraw/zinc/34/35/16/793343516.db2.gz XNBRKFUEKOBVOE-UHFFFAOYSA-N 1 0 346.457 -1.070 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157912772 786908048 /nfs/dbraw/zinc/90/80/48/786908048.db2.gz XZYZRTMSTFHXGF-LLVKDONJSA-N 1 0 340.446 -2.172 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157912776 786908110 /nfs/dbraw/zinc/90/81/10/786908110.db2.gz XZYZRTMSTFHXGF-NSHDSACASA-N 1 0 340.446 -2.172 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CCS(=O)(=O)NC)n1 ZINC001157912787 793343442 /nfs/dbraw/zinc/34/34/42/793343442.db2.gz YEGYWRFNYXGVNH-UHFFFAOYSA-N 1 0 332.430 -1.167 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157912816 793342662 /nfs/dbraw/zinc/34/26/62/793342662.db2.gz YROWFXBLHJXGPI-UHFFFAOYSA-N 1 0 337.446 -2.091 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001157912891 793343184 /nfs/dbraw/zinc/34/31/84/793343184.db2.gz ZVGRHQZCAXYRNG-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001157912892 793343082 /nfs/dbraw/zinc/34/30/82/793343082.db2.gz ZZXMJNQNKMLFSU-UHFFFAOYSA-N 1 0 347.445 -1.851 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1[C@@H](C)CC[C@H]1CO ZINC001157915308 793343274 /nfs/dbraw/zinc/34/32/74/793343274.db2.gz QVKDOYBDLMIJRE-CYDGBPFRSA-N 1 0 340.424 -1.187 20 0 EAADRO C[C@H]1CC[C@@H](CO)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157916111 793342495 /nfs/dbraw/zinc/34/24/95/793342495.db2.gz ZEGCGPWXFJRICF-UWVGGRQHSA-N 1 0 343.384 -3.335 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2[nH]cnc2C1 ZINC001157922622 793343695 /nfs/dbraw/zinc/34/36/95/793343695.db2.gz SWCUXMWYHJYSNY-GWCFXTLKSA-N 1 0 348.407 -1.251 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)(C)C[C@]1(C)CO ZINC001157926345 793343307 /nfs/dbraw/zinc/34/33/07/793343307.db2.gz OXCFSWJMVMEXCB-AMJWSMQMSA-N 1 0 328.413 -1.297 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)(C)C[C@@]1(C)CO ZINC001157926347 793343293 /nfs/dbraw/zinc/34/32/93/793343293.db2.gz OXCFSWJMVMEXCB-YHAQOWFVSA-N 1 0 328.413 -1.297 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001157931856 793342629 /nfs/dbraw/zinc/34/26/29/793342629.db2.gz BAIJKPZWQTXZKR-CYBMUJFWSA-N 1 0 329.397 -1.253 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001157931859 793343036 /nfs/dbraw/zinc/34/30/36/793343036.db2.gz BAIJKPZWQTXZKR-ZDUSSCGKSA-N 1 0 329.397 -1.253 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157932025 793342820 /nfs/dbraw/zinc/34/28/20/793342820.db2.gz GAKVBDLCLOLFTC-GFCCVEGCSA-N 1 0 342.396 -2.154 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157932026 793343206 /nfs/dbraw/zinc/34/32/06/793343206.db2.gz GAKVBDLCLOLFTC-LBPRGKRZSA-N 1 0 342.396 -2.154 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157932420 793345103 /nfs/dbraw/zinc/34/51/03/793345103.db2.gz NGRLXHHJYGWTTF-LLVKDONJSA-N 1 0 330.385 -1.267 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157932421 793345014 /nfs/dbraw/zinc/34/50/14/793345014.db2.gz NGRLXHHJYGWTTF-NSHDSACASA-N 1 0 330.385 -1.267 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001157932786 793344645 /nfs/dbraw/zinc/34/46/45/793344645.db2.gz XFBWHSCTTFJSOW-GFCCVEGCSA-N 1 0 342.396 -1.124 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001157932796 793344381 /nfs/dbraw/zinc/34/43/81/793344381.db2.gz XFBWHSCTTFJSOW-LBPRGKRZSA-N 1 0 342.396 -1.124 20 0 EAADRO CS(=O)(=O)c1nc2c(c(-n3[n-]c(=O)nc3C[NH3+])n1)CC[NH2+]CC2 ZINC001157933416 793344736 /nfs/dbraw/zinc/34/47/36/793344736.db2.gz WEEHTUJHXDZKRQ-UHFFFAOYSA-N 1 0 339.381 -1.687 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157934088 793344433 /nfs/dbraw/zinc/34/44/33/793344433.db2.gz GUZFMLHGURPBNL-BHDSKKPTSA-N 1 0 332.376 -1.593 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157934089 793344088 /nfs/dbraw/zinc/34/40/88/793344088.db2.gz GUZFMLHGURPBNL-PKFCDNJMSA-N 1 0 332.376 -1.593 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934324 793344932 /nfs/dbraw/zinc/34/49/32/793344932.db2.gz JWBRUYJOSKLJES-AGIUHOORSA-N 1 0 346.449 -1.398 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934325 793344909 /nfs/dbraw/zinc/34/49/09/793344909.db2.gz JWBRUYJOSKLJES-AVGNSLFASA-N 1 0 346.449 -1.398 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934326 793345232 /nfs/dbraw/zinc/34/52/32/793345232.db2.gz JWBRUYJOSKLJES-FRRDWIJNSA-N 1 0 346.449 -1.398 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934327 793344808 /nfs/dbraw/zinc/34/48/08/793344808.db2.gz JWBRUYJOSKLJES-RWMBFGLXSA-N 1 0 346.449 -1.398 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@](F)(CO)CC1 ZINC001157934647 793345195 /nfs/dbraw/zinc/34/51/95/793345195.db2.gz NIVOFLACUOKFDK-GFCCVEGCSA-N 1 0 325.406 -1.080 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157934648 793343866 /nfs/dbraw/zinc/34/38/66/793343866.db2.gz NIVOFLACUOKFDK-LBPRGKRZSA-N 1 0 325.406 -1.080 20 0 EAADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934977 793344173 /nfs/dbraw/zinc/34/41/73/793344173.db2.gz PTROXALENGXWAU-ILXRZTDVSA-N 1 0 335.404 -1.126 20 0 EAADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934978 793344682 /nfs/dbraw/zinc/34/46/82/793344682.db2.gz PTROXALENGXWAU-KKUMJFAQSA-N 1 0 335.404 -1.126 20 0 EAADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934979 793344029 /nfs/dbraw/zinc/34/40/29/793344029.db2.gz PTROXALENGXWAU-QLFBSQMISA-N 1 0 335.404 -1.126 20 0 EAADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934980 793344577 /nfs/dbraw/zinc/34/45/77/793344577.db2.gz PTROXALENGXWAU-SOUVJXGZSA-N 1 0 335.404 -1.126 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@H](O)[C@H](CO)C2)COC1(C)C ZINC001157935035 793345204 /nfs/dbraw/zinc/34/52/04/793345204.db2.gz QKEYRIUGRSNGMB-BJDJZHNGSA-N 1 0 329.397 -1.501 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@@H](O)[C@H](CO)C2)COC1(C)C ZINC001157935036 793345251 /nfs/dbraw/zinc/34/52/51/793345251.db2.gz QKEYRIUGRSNGMB-FIQHERPVSA-N 1 0 329.397 -1.501 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@H](O)[C@@H](CO)C2)COC1(C)C ZINC001157935037 793345265 /nfs/dbraw/zinc/34/52/65/793345265.db2.gz QKEYRIUGRSNGMB-USZNOCQGSA-N 1 0 329.397 -1.501 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@@H](O)[C@@H](CO)C2)COC1(C)C ZINC001157935038 793344390 /nfs/dbraw/zinc/34/43/90/793344390.db2.gz QKEYRIUGRSNGMB-WHOHXGKFSA-N 1 0 329.397 -1.501 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157937648 793344420 /nfs/dbraw/zinc/34/44/20/793344420.db2.gz YWVHEYMLRITCGN-GRYCIOLGSA-N 1 0 331.413 -1.553 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157937649 793344287 /nfs/dbraw/zinc/34/42/87/793344287.db2.gz YWVHEYMLRITCGN-SDDRHHMPSA-N 1 0 331.413 -1.553 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157937650 793343830 /nfs/dbraw/zinc/34/38/30/793343830.db2.gz YWVHEYMLRITCGN-SRVKXCTJSA-N 1 0 331.413 -1.553 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157937651 793345053 /nfs/dbraw/zinc/34/50/53/793345053.db2.gz YWVHEYMLRITCGN-WOPDTQHZSA-N 1 0 331.413 -1.553 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)NC(N)=O ZINC001157938857 793344718 /nfs/dbraw/zinc/34/47/18/793344718.db2.gz FJPLMPQSWDLQCO-JTQLQIEISA-N 1 0 337.384 -1.042 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)NC(N)=O ZINC001157938858 793344499 /nfs/dbraw/zinc/34/44/99/793344499.db2.gz FJPLMPQSWDLQCO-SNVBAGLBSA-N 1 0 337.384 -1.042 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)NC(N)=O ZINC001157938864 793345152 /nfs/dbraw/zinc/34/51/52/793345152.db2.gz FPUBYCAQVSMCPB-JTQLQIEISA-N 1 0 337.446 -1.579 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)NC(N)=O ZINC001157938865 786925127 /nfs/dbraw/zinc/92/51/27/786925127.db2.gz FPUBYCAQVSMCPB-SNVBAGLBSA-N 1 0 337.446 -1.579 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157938937 793343891 /nfs/dbraw/zinc/34/38/91/793343891.db2.gz HTTGSVPOCGAKDG-JTQLQIEISA-N 1 0 344.416 -1.235 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157938938 793345221 /nfs/dbraw/zinc/34/52/21/793345221.db2.gz HTTGSVPOCGAKDG-SNVBAGLBSA-N 1 0 344.416 -1.235 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157938967 793344533 /nfs/dbraw/zinc/34/45/33/793344533.db2.gz IAQRKTIWRYVQBR-NXEZZACHSA-N 1 0 344.416 -1.237 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157938970 793344409 /nfs/dbraw/zinc/34/44/09/793344409.db2.gz IAQRKTIWRYVQBR-UWVGGRQHSA-N 1 0 344.416 -1.237 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157938972 793345003 /nfs/dbraw/zinc/34/50/03/793345003.db2.gz IAQRKTIWRYVQBR-VHSXEESVSA-N 1 0 344.416 -1.237 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157938975 793344797 /nfs/dbraw/zinc/34/47/97/793344797.db2.gz IAQRKTIWRYVQBR-ZJUUUORDSA-N 1 0 344.416 -1.237 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1)NC(N)=O ZINC001157939110 793344465 /nfs/dbraw/zinc/34/44/65/793344465.db2.gz INNRFIHULPAIHJ-LLVKDONJSA-N 1 0 329.401 -1.612 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1)NC(N)=O ZINC001157939116 793344710 /nfs/dbraw/zinc/34/47/10/793344710.db2.gz INNRFIHULPAIHJ-NSHDSACASA-N 1 0 329.401 -1.612 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)NC(N)=O ZINC001157939146 793344964 /nfs/dbraw/zinc/34/49/64/793344964.db2.gz IZZPLMZFWVKWGZ-JTQLQIEISA-N 1 0 339.400 -1.149 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)NC(N)=O ZINC001157939147 793344561 /nfs/dbraw/zinc/34/45/61/793344561.db2.gz IZZPLMZFWVKWGZ-SNVBAGLBSA-N 1 0 339.400 -1.149 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157939239 793344278 /nfs/dbraw/zinc/34/42/78/793344278.db2.gz LOOPMJXYIMGKOF-LLVKDONJSA-N 1 0 331.417 -1.318 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157939240 793344077 /nfs/dbraw/zinc/34/40/77/793344077.db2.gz LOOPMJXYIMGKOF-NSHDSACASA-N 1 0 331.417 -1.318 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157939245 793345072 /nfs/dbraw/zinc/34/50/72/793345072.db2.gz LRGGKDNNKLBRNK-LLVKDONJSA-N 1 0 331.417 -1.318 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157939246 793344885 /nfs/dbraw/zinc/34/48/85/793344885.db2.gz LRGGKDNNKLBRNK-NSHDSACASA-N 1 0 331.417 -1.318 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(N)=O ZINC001157939601 793345278 /nfs/dbraw/zinc/34/52/78/793345278.db2.gz RZODRRYMXUMMRS-NEPJUHHUSA-N 1 0 343.428 -1.176 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)NC(N)=O ZINC001157939602 793344306 /nfs/dbraw/zinc/34/43/06/793344306.db2.gz RZODRRYMXUMMRS-NWDGAFQWSA-N 1 0 343.428 -1.176 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(N)=O ZINC001157939603 793345127 /nfs/dbraw/zinc/34/51/27/793345127.db2.gz RZODRRYMXUMMRS-RYUDHWBXSA-N 1 0 343.428 -1.176 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)NC(N)=O ZINC001157939604 793344339 /nfs/dbraw/zinc/34/43/39/793344339.db2.gz RZODRRYMXUMMRS-VXGBXAGGSA-N 1 0 343.428 -1.176 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157939605 793344859 /nfs/dbraw/zinc/34/48/59/793344859.db2.gz SASRLCHBOAXBOR-SECBINFHSA-N 1 0 330.389 -1.625 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157939606 793344601 /nfs/dbraw/zinc/34/46/01/793344601.db2.gz SASRLCHBOAXBOR-VIFPVBQESA-N 1 0 330.389 -1.625 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)NC(N)=O ZINC001157939808 793344193 /nfs/dbraw/zinc/34/41/93/793344193.db2.gz VFANKEXQIVSJOX-SECBINFHSA-N 1 0 342.400 -1.483 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)NC(N)=O ZINC001157939810 793343852 /nfs/dbraw/zinc/34/38/52/793343852.db2.gz VFANKEXQIVSJOX-VIFPVBQESA-N 1 0 342.400 -1.483 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)NC(N)=O ZINC001157939877 786925045 /nfs/dbraw/zinc/92/50/45/786925045.db2.gz WAFKVFVRPUKUST-LLVKDONJSA-N 1 0 349.457 -1.435 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)NC(N)=O ZINC001157939879 786925814 /nfs/dbraw/zinc/92/58/14/786925814.db2.gz WAFKVFVRPUKUST-NSHDSACASA-N 1 0 349.457 -1.435 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)NC(N)=O ZINC001157940152 793345118 /nfs/dbraw/zinc/34/51/18/793345118.db2.gz WYOCVQCNKYUAQW-JTQLQIEISA-N 1 0 342.400 -2.512 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)NC(N)=O ZINC001157940153 793344919 /nfs/dbraw/zinc/34/49/19/793344919.db2.gz WYOCVQCNKYUAQW-SNVBAGLBSA-N 1 0 342.400 -2.512 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)NC(N)=O ZINC001157940163 793345243 /nfs/dbraw/zinc/34/52/43/793345243.db2.gz XCMZZUFDHOHTBD-LLVKDONJSA-N 1 0 343.428 -1.176 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)NC(N)=O ZINC001157940164 793344248 /nfs/dbraw/zinc/34/42/48/793344248.db2.gz XCMZZUFDHOHTBD-NSHDSACASA-N 1 0 343.428 -1.176 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157943459 793345027 /nfs/dbraw/zinc/34/50/27/793345027.db2.gz CZPMKDNUFLIMEG-HWWQOWPSSA-N 1 0 345.440 -1.163 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157943460 793344049 /nfs/dbraw/zinc/34/40/49/793344049.db2.gz CZPMKDNUFLIMEG-MKBNYLNASA-N 1 0 345.440 -1.163 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157943461 793345160 /nfs/dbraw/zinc/34/51/60/793345160.db2.gz CZPMKDNUFLIMEG-MQIPJXDCSA-N 1 0 345.440 -1.163 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157943462 793344448 /nfs/dbraw/zinc/34/44/48/793344448.db2.gz CZPMKDNUFLIMEG-OZVIIMIRSA-N 1 0 345.440 -1.163 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@](C)(CO)[C@@H](O)C2)COC1(C)C ZINC001157943897 793344150 /nfs/dbraw/zinc/34/41/50/793344150.db2.gz GTLVJUCKKFEJCK-CENBSLRLSA-N 1 0 343.424 -1.111 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@@](C)(CO)[C@H](O)C2)COC1(C)C ZINC001157943898 793345083 /nfs/dbraw/zinc/34/50/83/793345083.db2.gz GTLVJUCKKFEJCK-OVZMXSCWSA-N 1 0 343.424 -1.111 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@](C)(CO)[C@H](O)C2)COC1(C)C ZINC001157943899 793344108 /nfs/dbraw/zinc/34/41/08/793344108.db2.gz GTLVJUCKKFEJCK-PVTKRXDGSA-N 1 0 343.424 -1.111 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@@](C)(CO)[C@@H](O)C2)COC1(C)C ZINC001157943900 793344540 /nfs/dbraw/zinc/34/45/40/793344540.db2.gz GTLVJUCKKFEJCK-YWDSYVAPSA-N 1 0 343.424 -1.111 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157944588 793343952 /nfs/dbraw/zinc/34/39/52/793343952.db2.gz JPGQHQBAXQASDJ-HWWQOWPSSA-N 1 0 345.440 -1.163 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157944592 793343973 /nfs/dbraw/zinc/34/39/73/793343973.db2.gz JPGQHQBAXQASDJ-MKBNYLNASA-N 1 0 345.440 -1.163 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157944595 793343989 /nfs/dbraw/zinc/34/39/89/793343989.db2.gz JPGQHQBAXQASDJ-MQIPJXDCSA-N 1 0 345.440 -1.163 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157944598 793344362 /nfs/dbraw/zinc/34/43/62/793344362.db2.gz JPGQHQBAXQASDJ-OZVIIMIRSA-N 1 0 345.440 -1.163 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157945444 793344491 /nfs/dbraw/zinc/34/44/91/793344491.db2.gz IRDBKNSYLSLBOP-LLVKDONJSA-N 1 0 331.417 -1.318 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157945445 793344619 /nfs/dbraw/zinc/34/46/19/793344619.db2.gz IRDBKNSYLSLBOP-NSHDSACASA-N 1 0 331.417 -1.318 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)NC(N)=O ZINC001157945890 793344660 /nfs/dbraw/zinc/34/46/60/793344660.db2.gz MVSJUDMLEVKUNL-NEPJUHHUSA-N 1 0 343.428 -1.488 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)NC(N)=O ZINC001157945893 793344237 /nfs/dbraw/zinc/34/42/37/793344237.db2.gz MVSJUDMLEVKUNL-RYUDHWBXSA-N 1 0 343.428 -1.488 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157946094 793344629 /nfs/dbraw/zinc/34/46/29/793344629.db2.gz POANUVXTERHQHS-NEPJUHHUSA-N 1 0 334.417 -1.447 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157946095 793345185 /nfs/dbraw/zinc/34/51/85/793345185.db2.gz POANUVXTERHQHS-NWDGAFQWSA-N 1 0 334.417 -1.447 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157946097 793344068 /nfs/dbraw/zinc/34/40/68/793344068.db2.gz POANUVXTERHQHS-RYUDHWBXSA-N 1 0 334.417 -1.447 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@H](O)[C@@](C)(CO)C2)COC1(C)C ZINC001157946147 793344945 /nfs/dbraw/zinc/34/49/45/793344945.db2.gz NBQKOXFJCPGDIP-CENBSLRLSA-N 1 0 343.424 -1.111 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@@H](O)[C@](C)(CO)C2)COC1(C)C ZINC001157946149 793344985 /nfs/dbraw/zinc/34/49/85/793344985.db2.gz NBQKOXFJCPGDIP-OVZMXSCWSA-N 1 0 343.424 -1.111 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@@H](O)[C@@](C)(CO)C2)COC1(C)C ZINC001157946151 793344132 /nfs/dbraw/zinc/34/41/32/793344132.db2.gz NBQKOXFJCPGDIP-PVTKRXDGSA-N 1 0 343.424 -1.111 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@H](O)[C@](C)(CO)C2)COC1(C)C ZINC001157946153 793343907 /nfs/dbraw/zinc/34/39/07/793343907.db2.gz NBQKOXFJCPGDIP-YWDSYVAPSA-N 1 0 343.424 -1.111 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157946281 793344400 /nfs/dbraw/zinc/34/44/00/793344400.db2.gz POANUVXTERHQHS-VXGBXAGGSA-N 1 0 334.417 -1.447 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(N)=O ZINC001157946798 793344254 /nfs/dbraw/zinc/34/42/54/793344254.db2.gz XDFASPREAAWHFT-GHMZBOCLSA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(N)=O ZINC001157946799 793344638 /nfs/dbraw/zinc/34/46/38/793344638.db2.gz XDFASPREAAWHFT-MNOVXSKESA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(N)=O ZINC001157946800 793344268 /nfs/dbraw/zinc/34/42/68/793344268.db2.gz XDFASPREAAWHFT-QWRGUYRKSA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(N)=O ZINC001157946801 793344591 /nfs/dbraw/zinc/34/45/91/793344591.db2.gz XDFASPREAAWHFT-WDEREUQCSA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157947559 793344347 /nfs/dbraw/zinc/34/43/47/793344347.db2.gz VAOZOYRYSMSYEG-LFNDISMMSA-N 1 0 330.385 -2.714 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157947560 793344013 /nfs/dbraw/zinc/34/40/13/793344013.db2.gz VAOZOYRYSMSYEG-QSDJMHMYSA-N 1 0 330.385 -2.714 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157947561 793344327 /nfs/dbraw/zinc/34/43/27/793344327.db2.gz VAOZOYRYSMSYEG-RUMNANIHSA-N 1 0 330.385 -2.714 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157947562 793344782 /nfs/dbraw/zinc/34/47/82/793344782.db2.gz VAOZOYRYSMSYEG-RZGXBDKHSA-N 1 0 330.385 -2.714 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001157952469 793344900 /nfs/dbraw/zinc/34/49/00/793344900.db2.gz CXNGRMKHJKRHIS-GFCCVEGCSA-N 1 0 342.396 -1.170 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001157952470 793344318 /nfs/dbraw/zinc/34/43/18/793344318.db2.gz CXNGRMKHJKRHIS-LBPRGKRZSA-N 1 0 342.396 -1.170 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001157952538 793345630 /nfs/dbraw/zinc/34/56/30/793345630.db2.gz FMNOHTHQHINPPX-CYBMUJFWSA-N 1 0 349.453 -1.077 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001157952539 793345355 /nfs/dbraw/zinc/34/53/55/793345355.db2.gz FMNOHTHQHINPPX-ZDUSSCGKSA-N 1 0 349.453 -1.077 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157952991 793345541 /nfs/dbraw/zinc/34/55/41/793345541.db2.gz IKGVICXFLZGCHS-GHMZBOCLSA-N 1 0 330.385 -1.268 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157952992 793345593 /nfs/dbraw/zinc/34/55/93/793345593.db2.gz IKGVICXFLZGCHS-MNOVXSKESA-N 1 0 330.385 -1.268 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157952993 793345460 /nfs/dbraw/zinc/34/54/60/793345460.db2.gz IKGVICXFLZGCHS-QWRGUYRKSA-N 1 0 330.385 -1.268 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157952994 793346025 /nfs/dbraw/zinc/34/60/25/793346025.db2.gz IKGVICXFLZGCHS-WDEREUQCSA-N 1 0 330.385 -1.268 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001157953009 793346294 /nfs/dbraw/zinc/34/62/94/793346294.db2.gz IOMDBQUDEVQCSW-KBPBESRZSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001157953010 793346638 /nfs/dbraw/zinc/34/66/38/793346638.db2.gz IOMDBQUDEVQCSW-UONOGXRCSA-N 1 0 343.424 -1.129 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)CO[C@@H]1CCOC1)S(C)(=O)=O ZINC001157954081 793345474 /nfs/dbraw/zinc/34/54/74/793345474.db2.gz ROJGKJLIFGOCQB-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)CO[C@H]1CCOC1)S(C)(=O)=O ZINC001157954082 793346046 /nfs/dbraw/zinc/34/60/46/793346046.db2.gz ROJGKJLIFGOCQB-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157954614 793346245 /nfs/dbraw/zinc/34/62/45/793346245.db2.gz YSKKWGVDVKVMKC-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157954620 793345448 /nfs/dbraw/zinc/34/54/48/793345448.db2.gz YSKKWGVDVKVMKC-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157954637 793345530 /nfs/dbraw/zinc/34/55/30/793345530.db2.gz YYONHEVQOYCTNX-KBPBESRZSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157954638 793346347 /nfs/dbraw/zinc/34/63/47/793346347.db2.gz YYONHEVQOYCTNX-KGLIPLIRSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157954639 793346474 /nfs/dbraw/zinc/34/64/74/793346474.db2.gz YYONHEVQOYCTNX-UONOGXRCSA-N 1 0 334.413 -1.088 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157954640 786946206 /nfs/dbraw/zinc/94/62/06/786946206.db2.gz YYONHEVQOYCTNX-ZIAGYGMSSA-N 1 0 334.413 -1.088 20 0 EAADRO O=C(CO[C@@H]1CCOC1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001157954750 793345979 /nfs/dbraw/zinc/34/59/79/793345979.db2.gz ZYKXUIDLHWISHS-LLVKDONJSA-N 1 0 328.369 -1.560 20 0 EAADRO O=C(CO[C@H]1CCOC1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001157954751 793346092 /nfs/dbraw/zinc/34/60/92/793346092.db2.gz ZYKXUIDLHWISHS-NSHDSACASA-N 1 0 328.369 -1.560 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157958976 793346771 /nfs/dbraw/zinc/34/67/71/793346771.db2.gz CKHTVYLOVFPXET-JTQLQIEISA-N 1 0 337.446 -1.532 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157958977 793346493 /nfs/dbraw/zinc/34/64/93/793346493.db2.gz CKHTVYLOVFPXET-SNVBAGLBSA-N 1 0 337.446 -1.532 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)NC(N)=O ZINC001157959057 793346556 /nfs/dbraw/zinc/34/65/56/793346556.db2.gz DJASQQDAOYNCFC-SECBINFHSA-N 1 0 328.373 -1.919 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)NC(N)=O ZINC001157959058 793345575 /nfs/dbraw/zinc/34/55/75/793345575.db2.gz DJASQQDAOYNCFC-VIFPVBQESA-N 1 0 328.373 -1.919 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)NC(N)=O ZINC001157959172 793346812 /nfs/dbraw/zinc/34/68/12/793346812.db2.gz GJFVXKRVQZAHQD-NEPJUHHUSA-N 1 0 326.401 -1.213 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)NC(N)=O ZINC001157959173 793346230 /nfs/dbraw/zinc/34/62/30/793346230.db2.gz GJFVXKRVQZAHQD-NWDGAFQWSA-N 1 0 326.401 -1.213 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)NC(N)=O ZINC001157959174 793346803 /nfs/dbraw/zinc/34/68/03/793346803.db2.gz GJFVXKRVQZAHQD-RYUDHWBXSA-N 1 0 326.401 -1.213 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)NC(N)=O ZINC001157959175 793345917 /nfs/dbraw/zinc/34/59/17/793345917.db2.gz GJFVXKRVQZAHQD-VXGBXAGGSA-N 1 0 326.401 -1.213 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(N)=O ZINC001157959312 793346168 /nfs/dbraw/zinc/34/61/68/793346168.db2.gz IOKQEVKIPJQLNL-NEPJUHHUSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(N)=O ZINC001157959315 793345373 /nfs/dbraw/zinc/34/53/73/793345373.db2.gz IOKQEVKIPJQLNL-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(N)=O ZINC001157959316 793345942 /nfs/dbraw/zinc/34/59/42/793345942.db2.gz IOKQEVKIPJQLNL-RYUDHWBXSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(N)=O ZINC001157959317 793345344 /nfs/dbraw/zinc/34/53/44/793345344.db2.gz IOKQEVKIPJQLNL-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)NC(N)=O ZINC001157959504 793346035 /nfs/dbraw/zinc/34/60/35/793346035.db2.gz JUUWZQOPKJDUKP-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)NC(N)=O ZINC001157959511 793346054 /nfs/dbraw/zinc/34/60/54/793346054.db2.gz JUUWZQOPKJDUKP-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(N)=O ZINC001157959814 793346673 /nfs/dbraw/zinc/34/66/73/793346673.db2.gz NACZJPYADMTOPX-NEPJUHHUSA-N 1 0 343.428 -1.318 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)NC(N)=O ZINC001157959815 793346200 /nfs/dbraw/zinc/34/62/00/793346200.db2.gz NACZJPYADMTOPX-NWDGAFQWSA-N 1 0 343.428 -1.318 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(N)=O ZINC001157959817 793346188 /nfs/dbraw/zinc/34/61/88/793346188.db2.gz NACZJPYADMTOPX-RYUDHWBXSA-N 1 0 343.428 -1.318 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)NC(N)=O ZINC001157959819 793346238 /nfs/dbraw/zinc/34/62/38/793346238.db2.gz NACZJPYADMTOPX-VXGBXAGGSA-N 1 0 343.428 -1.318 20 0 EAADRO C[C@@H](CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)NC(N)=O ZINC001157959922 793346464 /nfs/dbraw/zinc/34/64/64/793346464.db2.gz OLCHRYKGAZMJGP-JTQLQIEISA-N 1 0 342.400 -1.529 20 0 EAADRO C[C@H](CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)NC(N)=O ZINC001157959924 793345817 /nfs/dbraw/zinc/34/58/17/793345817.db2.gz OLCHRYKGAZMJGP-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157960362 793346269 /nfs/dbraw/zinc/34/62/69/793346269.db2.gz SFOXZBWOYJXTAI-BDAKNGLRSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157960363 793346779 /nfs/dbraw/zinc/34/67/79/793346779.db2.gz SFOXZBWOYJXTAI-DTWKUNHWSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157960364 793346719 /nfs/dbraw/zinc/34/67/19/793346719.db2.gz SFOXZBWOYJXTAI-IUCAKERBSA-N 1 0 330.389 -1.627 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157960366 793345363 /nfs/dbraw/zinc/34/53/63/793345363.db2.gz SFOXZBWOYJXTAI-RKDXNWHRSA-N 1 0 330.389 -1.627 20 0 EAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157968845 793346678 /nfs/dbraw/zinc/34/66/78/793346678.db2.gz IHCKSVMWPWAJAT-SECBINFHSA-N 1 0 336.314 -1.450 20 0 EAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157968846 793346391 /nfs/dbraw/zinc/34/63/91/793346391.db2.gz IHCKSVMWPWAJAT-VIFPVBQESA-N 1 0 336.314 -1.450 20 0 EAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157970801 793345491 /nfs/dbraw/zinc/34/54/91/793345491.db2.gz YETNGENGENXDFH-MRVPVSSYSA-N 1 0 339.318 -1.005 20 0 EAADRO Cc1cccn(CC(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1=O ZINC001157972381 793345753 /nfs/dbraw/zinc/34/57/53/793345753.db2.gz AWDJUVQQFYCNRV-UHFFFAOYSA-N 1 0 334.380 -1.125 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cccc(C)c1=O ZINC001157973218 793345923 /nfs/dbraw/zinc/34/59/23/793345923.db2.gz YIVKCDPOECLBPC-UHFFFAOYSA-N 1 0 337.380 -1.292 20 0 EAADRO C[N@H+](CCOCCO)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157973656 793346064 /nfs/dbraw/zinc/34/60/64/793346064.db2.gz NEEVQUVMBULQRW-CYBMUJFWSA-N 1 0 326.401 -1.005 20 0 EAADRO COC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157973877 793346124 /nfs/dbraw/zinc/34/61/24/793346124.db2.gz VEQPWYRAQWCMDC-CHWSQXEVSA-N 1 0 326.401 -1.007 20 0 EAADRO COC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157973878 793345651 /nfs/dbraw/zinc/34/56/51/793345651.db2.gz VEQPWYRAQWCMDC-OLZOCXBDSA-N 1 0 326.401 -1.007 20 0 EAADRO Cc1cccn(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)c1=O ZINC001157976859 793346576 /nfs/dbraw/zinc/34/65/76/793346576.db2.gz AGLVEUNDTKIERS-UHFFFAOYSA-N 1 0 349.391 -1.196 20 0 EAADRO Cc1cccn(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)c1=O ZINC001157977160 793345667 /nfs/dbraw/zinc/34/56/67/793345667.db2.gz DNSYXAPTNKIVNA-LLVKDONJSA-N 1 0 337.380 -1.164 20 0 EAADRO Cc1cccn(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)c1=O ZINC001157977161 793346119 /nfs/dbraw/zinc/34/61/19/793346119.db2.gz DNSYXAPTNKIVNA-NSHDSACASA-N 1 0 337.380 -1.164 20 0 EAADRO Cc1cccn(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)c1=O ZINC001157977217 793346621 /nfs/dbraw/zinc/34/66/21/793346621.db2.gz HAPMCFOUFCRSLK-UHFFFAOYSA-N 1 0 344.437 -1.198 20 0 EAADRO CS(=O)(=O)CC1(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001157981442 793345848 /nfs/dbraw/zinc/34/58/48/793345848.db2.gz RJFCVYJCBGPPAI-UHFFFAOYSA-N 1 0 348.425 -1.508 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157981635 793346650 /nfs/dbraw/zinc/34/66/50/793346650.db2.gz FEDJKCDZJGEQOL-YUMQZZPRSA-N 1 0 340.302 -1.956 20 0 EAADRO Cc1nc(CCN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])no1 ZINC001157982713 793345506 /nfs/dbraw/zinc/34/55/06/793345506.db2.gz FZWWOXGOAJUBKG-CBAPKCEASA-N 1 0 326.357 -1.914 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC001157989229 793346357 /nfs/dbraw/zinc/34/63/57/793346357.db2.gz NARLJCOMWGAUKG-GWCFXTLKSA-N 1 0 348.407 -1.251 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c(C)n1 ZINC001157992406 793346282 /nfs/dbraw/zinc/34/62/82/793346282.db2.gz CSPPODZHFDPICP-UHFFFAOYSA-N 1 0 340.384 -1.258 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@](C)(O)C1 ZINC001157996553 793345686 /nfs/dbraw/zinc/34/56/86/793345686.db2.gz DBDLQUFCQLWKPG-PGUXBMHVSA-N 1 0 326.397 -1.576 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@](C)(O)C1 ZINC001157996559 793345830 /nfs/dbraw/zinc/34/58/30/793345830.db2.gz DBDLQUFCQLWKPG-ZIBATOQPSA-N 1 0 326.397 -1.576 20 0 EAADRO C[C@@]1(O)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157996822 793346601 /nfs/dbraw/zinc/34/66/01/793346601.db2.gz HCIVKCWIRMXITG-CYBMUJFWSA-N 1 0 329.357 -3.723 20 0 EAADRO C[C@]1(O)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157996827 793345703 /nfs/dbraw/zinc/34/57/03/793345703.db2.gz HCIVKCWIRMXITG-ZDUSSCGKSA-N 1 0 329.357 -3.723 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC001157997151 793346733 /nfs/dbraw/zinc/34/67/33/793346733.db2.gz JCLMQVGMSZMKKO-BJDJZHNGSA-N 1 0 326.397 -1.720 20 0 EAADRO COCCn1ncc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1C ZINC001157997499 793346276 /nfs/dbraw/zinc/34/62/76/793346276.db2.gz IJRNKTMCSHRMQO-UHFFFAOYSA-N 1 0 340.384 -1.258 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC001157998382 793345602 /nfs/dbraw/zinc/34/56/02/793345602.db2.gz FCFGUSCTGDSZKK-NWDGAFQWSA-N 1 0 328.413 -1.161 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC001157998383 793345789 /nfs/dbraw/zinc/34/57/89/793345789.db2.gz FCFGUSCTGDSZKK-RYUDHWBXSA-N 1 0 328.413 -1.161 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157998390 793346824 /nfs/dbraw/zinc/34/68/24/793346824.db2.gz FFOZOFUXDNHBIR-JTQLQIEISA-N 1 0 336.414 -2.430 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157998391 793345774 /nfs/dbraw/zinc/34/57/74/793345774.db2.gz FFOZOFUXDNHBIR-SNVBAGLBSA-N 1 0 336.414 -2.430 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001157998473 793345947 /nfs/dbraw/zinc/34/59/47/793345947.db2.gz FUPBXPSSYAGBAT-SDDRHHMPSA-N 1 0 326.397 -1.312 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001157998474 793345884 /nfs/dbraw/zinc/34/58/84/793345884.db2.gz FUPBXPSSYAGBAT-SRVKXCTJSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]1O ZINC001157998527 786958448 /nfs/dbraw/zinc/95/84/48/786958448.db2.gz WUERMGRQADQKEQ-IUCAKERBSA-N 1 0 329.357 -3.867 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157999254 793345418 /nfs/dbraw/zinc/34/54/18/793345418.db2.gz POFZLRDHVQPMKV-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157999255 793347447 /nfs/dbraw/zinc/34/74/47/793347447.db2.gz POFZLRDHVQPMKV-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999258 793348245 /nfs/dbraw/zinc/34/82/45/793348245.db2.gz PPHPBRUGMVUURY-GHMZBOCLSA-N 1 0 345.421 -1.873 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999259 793348297 /nfs/dbraw/zinc/34/82/97/793348297.db2.gz PPHPBRUGMVUURY-MNOVXSKESA-N 1 0 345.421 -1.873 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999260 793348477 /nfs/dbraw/zinc/34/84/77/793348477.db2.gz PPHPBRUGMVUURY-QWRGUYRKSA-N 1 0 345.421 -1.873 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999261 793348642 /nfs/dbraw/zinc/34/86/42/793348642.db2.gz PPHPBRUGMVUURY-WDEREUQCSA-N 1 0 345.421 -1.873 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999436 793347580 /nfs/dbraw/zinc/34/75/80/793347580.db2.gz QSDOZMATMKIUOI-NEPJUHHUSA-N 1 0 338.408 -1.534 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999437 793347263 /nfs/dbraw/zinc/34/72/63/793347263.db2.gz QSDOZMATMKIUOI-NWDGAFQWSA-N 1 0 338.408 -1.534 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999438 793347062 /nfs/dbraw/zinc/34/70/62/793347062.db2.gz QSDOZMATMKIUOI-RYUDHWBXSA-N 1 0 338.408 -1.534 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999439 793347862 /nfs/dbraw/zinc/34/78/62/793347862.db2.gz QSDOZMATMKIUOI-VXGBXAGGSA-N 1 0 338.408 -1.534 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CSCNC(C)=O ZINC001157999480 793348599 /nfs/dbraw/zinc/34/85/99/793348599.db2.gz RRWHMIWPAQNPLS-QWRGUYRKSA-N 1 0 332.426 -1.496 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CSCNC(C)=O ZINC001157999481 793347540 /nfs/dbraw/zinc/34/75/40/793347540.db2.gz RRWHMIWPAQNPLS-WDEREUQCSA-N 1 0 332.426 -1.496 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001158005855 793347846 /nfs/dbraw/zinc/34/78/46/793347846.db2.gz DIYWIQQCURAOOL-QWHCGFSZSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001158005856 793347076 /nfs/dbraw/zinc/34/70/76/793347076.db2.gz DIYWIQQCURAOOL-STQMWFEESA-N 1 0 328.413 -1.016 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001158005914 793348185 /nfs/dbraw/zinc/34/81/85/793348185.db2.gz FBBWEMJFJCIUII-GVXVVHGQSA-N 1 0 328.413 -1.161 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001158005915 793348207 /nfs/dbraw/zinc/34/82/07/793348207.db2.gz FBBWEMJFJCIUII-LOWVWBTDSA-N 1 0 328.413 -1.161 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001158006668 793348121 /nfs/dbraw/zinc/34/81/21/793348121.db2.gz MKYRYUGGFPZXTK-CYBMUJFWSA-N 1 0 348.407 -1.137 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001158006669 793346976 /nfs/dbraw/zinc/34/69/76/793346976.db2.gz MKYRYUGGFPZXTK-ZDUSSCGKSA-N 1 0 348.407 -1.137 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001158007195 793348325 /nfs/dbraw/zinc/34/83/25/793348325.db2.gz RBXIGFQLGWDOIK-GUBZILKMSA-N 1 0 343.384 -2.943 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001158007196 793348399 /nfs/dbraw/zinc/34/83/99/793348399.db2.gz RBXIGFQLGWDOIK-LPEHRKFASA-N 1 0 343.384 -2.943 20 0 EAADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCNC[C@@H]1C(=O)OCC ZINC001158007227 793347195 /nfs/dbraw/zinc/34/71/95/793347195.db2.gz RULHAXJDVCHUCM-IJLUTSLNSA-N 1 0 327.381 -1.251 20 0 EAADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCNC[C@H]1C(=O)OCC ZINC001158007228 793347473 /nfs/dbraw/zinc/34/74/73/793347473.db2.gz RULHAXJDVCHUCM-UTUOFQBUSA-N 1 0 327.381 -1.251 20 0 EAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001158007527 793347813 /nfs/dbraw/zinc/34/78/13/793347813.db2.gz UNXUGACEIYDIRB-NWDGAFQWSA-N 1 0 328.413 -1.161 20 0 EAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001158007528 793347693 /nfs/dbraw/zinc/34/76/93/793347693.db2.gz UNXUGACEIYDIRB-RYUDHWBXSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)(C)N(C[C@@H](O)CO)C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001158013612 793348541 /nfs/dbraw/zinc/34/85/41/793348541.db2.gz FXXFCRXRSDYTHZ-SNVBAGLBSA-N 1 0 325.431 -1.813 20 0 EAADRO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001158014881 793347096 /nfs/dbraw/zinc/34/70/96/793347096.db2.gz ONAQRTCONHDJAL-IUCAKERBSA-N 1 0 325.362 -1.681 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C[C@@H](O)CO)C(C)(C)C ZINC001158016221 793348437 /nfs/dbraw/zinc/34/84/37/793348437.db2.gz VBUUHIZWBNXGJT-AEJSXWLSSA-N 1 0 332.401 -2.326 20 0 EAADRO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001158016332 793348070 /nfs/dbraw/zinc/34/80/70/793348070.db2.gz WPGLGGSILUVSIM-JBDRJPRFSA-N 1 0 332.332 -2.194 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCO)c1=O ZINC001158035940 793347011 /nfs/dbraw/zinc/34/70/11/793347011.db2.gz QGWFZNZMIKXLSB-CYBMUJFWSA-N 1 0 338.408 -1.148 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158036880 793348140 /nfs/dbraw/zinc/34/81/40/793348140.db2.gz GDEROTYJTGKFCF-CMPLNLGQSA-N 1 0 334.380 -1.253 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158036881 793347859 /nfs/dbraw/zinc/34/78/59/793347859.db2.gz GDEROTYJTGKFCF-JQWIXIFHSA-N 1 0 334.380 -1.253 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158036882 793347722 /nfs/dbraw/zinc/34/77/22/793347722.db2.gz GDEROTYJTGKFCF-PWSUYJOCSA-N 1 0 334.380 -1.253 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158036883 793348591 /nfs/dbraw/zinc/34/85/91/793348591.db2.gz GDEROTYJTGKFCF-ZYHUDNBSSA-N 1 0 334.380 -1.253 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039293 793347284 /nfs/dbraw/zinc/34/72/84/793347284.db2.gz RXSVVFBLLQXXTD-JTQLQIEISA-N 1 0 347.383 -1.418 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039297 793348280 /nfs/dbraw/zinc/34/82/80/793348280.db2.gz RXSVVFBLLQXXTD-SNVBAGLBSA-N 1 0 347.383 -1.418 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039710 793347308 /nfs/dbraw/zinc/34/73/08/793347308.db2.gz TZNLFKZOCYFMFI-AAEUAGOBSA-N 1 0 339.396 -1.134 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039717 793347569 /nfs/dbraw/zinc/34/75/69/793347569.db2.gz TZNLFKZOCYFMFI-DGCLKSJQSA-N 1 0 339.396 -1.134 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039721 793348273 /nfs/dbraw/zinc/34/82/73/793348273.db2.gz TZNLFKZOCYFMFI-WCQYABFASA-N 1 0 339.396 -1.134 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039725 793347377 /nfs/dbraw/zinc/34/73/77/793347377.db2.gz TZNLFKZOCYFMFI-YPMHNXCESA-N 1 0 339.396 -1.134 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039761 793347369 /nfs/dbraw/zinc/34/73/69/793347369.db2.gz UFGYSBWGQBKNEP-LLVKDONJSA-N 1 0 336.396 -1.053 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158039763 793347997 /nfs/dbraw/zinc/34/79/97/793347997.db2.gz UFGYSBWGQBKNEP-NSHDSACASA-N 1 0 336.396 -1.053 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040038 793348429 /nfs/dbraw/zinc/34/84/29/793348429.db2.gz USKHZPLPFVAJQL-LLVKDONJSA-N 1 0 336.396 -1.005 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040039 793347901 /nfs/dbraw/zinc/34/79/01/793347901.db2.gz USKHZPLPFVAJQL-NSHDSACASA-N 1 0 336.396 -1.005 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040503 793347985 /nfs/dbraw/zinc/34/79/85/793347985.db2.gz XMIHQPLTAPMUIS-GHMZBOCLSA-N 1 0 336.396 -1.007 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040504 793348149 /nfs/dbraw/zinc/34/81/49/793348149.db2.gz XMIHQPLTAPMUIS-MNOVXSKESA-N 1 0 336.396 -1.007 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040505 793347114 /nfs/dbraw/zinc/34/71/14/793347114.db2.gz XMIHQPLTAPMUIS-QWRGUYRKSA-N 1 0 336.396 -1.007 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040506 793346940 /nfs/dbraw/zinc/34/69/40/793346940.db2.gz XMIHQPLTAPMUIS-WDEREUQCSA-N 1 0 336.396 -1.007 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040794 793347299 /nfs/dbraw/zinc/34/72/99/793347299.db2.gz ZUHNMLPPHJDSMK-GFCCVEGCSA-N 1 0 339.396 -1.133 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040795 793347676 /nfs/dbraw/zinc/34/76/76/793347676.db2.gz ZUHNMLPPHJDSMK-LBPRGKRZSA-N 1 0 339.396 -1.133 20 0 EAADRO CN(C)c1cnc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001158050940 793350152 /nfs/dbraw/zinc/35/01/52/793350152.db2.gz KPDIGTJVZWSSIY-UHFFFAOYSA-N 1 0 349.395 -1.196 20 0 EAADRO CN(C)c1cnc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001158051956 793350253 /nfs/dbraw/zinc/35/02/53/793350253.db2.gz YMWSUIRYMMZZHT-UHFFFAOYSA-N 1 0 344.441 -1.199 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnc(N(C)C)cn1 ZINC001158051983 793349846 /nfs/dbraw/zinc/34/98/46/793349846.db2.gz ZWDBBYJQYRRERC-UHFFFAOYSA-N 1 0 337.384 -1.292 20 0 EAADRO CN(C)c1cnc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001158055090 793349505 /nfs/dbraw/zinc/34/95/05/793349505.db2.gz DGBYYFVVGVOXOH-UHFFFAOYSA-N 1 0 334.384 -1.126 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cnc(N(C)C)cn1)C(=O)NC(N)=O ZINC001158055211 793350231 /nfs/dbraw/zinc/35/02/31/793350231.db2.gz IMRFXLXTMWKICN-SECBINFHSA-N 1 0 337.384 -1.165 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cnc(N(C)C)cn1)C(=O)NC(N)=O ZINC001158055212 793349470 /nfs/dbraw/zinc/34/94/70/793349470.db2.gz IMRFXLXTMWKICN-VIFPVBQESA-N 1 0 337.384 -1.165 20 0 EAADRO [NH3+]Cc1nnnn1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001158076671 786976477 /nfs/dbraw/zinc/97/64/77/786976477.db2.gz GYUVEWMEDMJHLR-UHFFFAOYSA-N 1 0 325.354 -1.463 20 0 EAADRO [NH3+]Cc1nnnn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC001158076747 786976187 /nfs/dbraw/zinc/97/61/87/786976187.db2.gz IGDJIALXTSZINE-UHFFFAOYSA-N 1 0 325.354 -1.463 20 0 EAADRO CCOC(=O)c1cnc(N2CCOCC2)nc1-n1nnnc1C[NH3+] ZINC001158077530 793349298 /nfs/dbraw/zinc/34/92/98/793349298.db2.gz UPESCEQVIHTNJJ-UHFFFAOYSA-N 1 0 334.340 -1.076 20 0 EAADRO [NH3+]Cc1nnnn1-c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001158080226 793350264 /nfs/dbraw/zinc/35/02/64/793350264.db2.gz IHOYLAWGYRWHRK-UHFFFAOYSA-N 1 0 337.365 -1.613 20 0 EAADRO CCn1nnc2c1[C@H](C(=O)N1CC(=O)NC[C@@]13CC[NH2+]C3)CNC2 ZINC001158091525 793349481 /nfs/dbraw/zinc/34/94/81/793349481.db2.gz DVVKOTZIVGTMDD-BMIGLBTASA-N 1 0 333.396 -1.825 20 0 EAADRO CCn1nnc2c1[C@@H](C(=O)N1CC(=O)NC[C@@]13CC[NH2+]C3)CNC2 ZINC001158091526 793350242 /nfs/dbraw/zinc/35/02/42/793350242.db2.gz DVVKOTZIVGTMDD-BONVTDFDSA-N 1 0 333.396 -1.825 20 0 EAADRO CCn1nnc2c1[C@H](C(=O)N1CC(=O)NC[C@]13CC[NH2+]C3)CNC2 ZINC001158091527 793349002 /nfs/dbraw/zinc/34/90/02/793349002.db2.gz DVVKOTZIVGTMDD-MEBBXXQBSA-N 1 0 333.396 -1.825 20 0 EAADRO CCn1nnc2c1[C@@H](C(=O)N1CC(=O)NC[C@]13CC[NH2+]C3)CNC2 ZINC001158091528 793349112 /nfs/dbraw/zinc/34/91/12/793349112.db2.gz DVVKOTZIVGTMDD-ZUZCIYMTSA-N 1 0 333.396 -1.825 20 0 EAADRO Nc1nc2c(ncn2CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c(=O)[nH]1 ZINC001158101884 793348790 /nfs/dbraw/zinc/34/87/90/793348790.db2.gz NLQCWGULZFBOAT-AWEZNQCLSA-N 1 0 346.351 -2.195 20 0 EAADRO Nc1nc2c(ncn2CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c(=O)[nH]1 ZINC001158101885 793349782 /nfs/dbraw/zinc/34/97/82/793349782.db2.gz NLQCWGULZFBOAT-CQSZACIVSA-N 1 0 346.351 -2.195 20 0 EAADRO Cc1nn(C)c(C)c1OCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001158106240 793349810 /nfs/dbraw/zinc/34/98/10/793349810.db2.gz SGRPBRLYSYGBAC-UHFFFAOYSA-N 1 0 340.384 -1.293 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158109834 793349913 /nfs/dbraw/zinc/34/99/13/793349913.db2.gz DTCMEMCGRGAMHS-SRVKXCTJSA-N 1 0 340.424 -1.295 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@H]2CCO)CC1 ZINC001158109835 793349761 /nfs/dbraw/zinc/34/97/61/793349761.db2.gz DTCMEMCGRGAMHS-TUAOUCFPSA-N 1 0 340.424 -1.295 20 0 EAADRO O=C([C@@H]1CNCc2ccnn21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110353 793349218 /nfs/dbraw/zinc/34/92/18/793349218.db2.gz GNMJNLYKCLCBFD-BLLLJJGKSA-N 1 0 330.392 -1.535 20 0 EAADRO O=C([C@@H]1CNCc2ccnn21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110356 793349312 /nfs/dbraw/zinc/34/93/12/793349312.db2.gz GNMJNLYKCLCBFD-LRDDRELGSA-N 1 0 330.392 -1.535 20 0 EAADRO O=C([C@H]1CNCc2ccnn21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110358 793348821 /nfs/dbraw/zinc/34/88/21/793348821.db2.gz GNMJNLYKCLCBFD-MLGOLLRUSA-N 1 0 330.392 -1.535 20 0 EAADRO O=C([C@H]1CNCc2ccnn21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110360 793349671 /nfs/dbraw/zinc/34/96/71/793349671.db2.gz GNMJNLYKCLCBFD-WBMJQRKESA-N 1 0 330.392 -1.535 20 0 EAADRO Cc1cnccc1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001158111814 793348946 /nfs/dbraw/zinc/34/89/46/793348946.db2.gz UQGTXLRATRAMTL-UHFFFAOYSA-N 1 0 347.419 -1.013 20 0 EAADRO Nc1nn2cccnc2c1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118649 793351549 /nfs/dbraw/zinc/35/15/49/793351549.db2.gz AJTTXLHXOVVDNM-INIZCTEOSA-N 1 0 341.375 -1.137 20 0 EAADRO Nc1nn2cccnc2c1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118650 793351304 /nfs/dbraw/zinc/35/13/04/793351304.db2.gz AJTTXLHXOVVDNM-MRXNPFEDSA-N 1 0 341.375 -1.137 20 0 EAADRO O=C(c1cnc2n1CCNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118799 793351217 /nfs/dbraw/zinc/35/12/17/793351217.db2.gz BSYNDTDUFRGNJA-INIZCTEOSA-N 1 0 330.392 -1.462 20 0 EAADRO O=C(c1cnc2n1CCNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118801 793351863 /nfs/dbraw/zinc/35/18/63/793351863.db2.gz BSYNDTDUFRGNJA-MRXNPFEDSA-N 1 0 330.392 -1.462 20 0 EAADRO O=C(c1nnn2c1CNCC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119274 793351794 /nfs/dbraw/zinc/35/17/94/793351794.db2.gz HSXHFMUDVSGBCP-HNNXBMFYSA-N 1 0 331.380 -2.067 20 0 EAADRO O=C(c1nnn2c1CNCC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119276 793351417 /nfs/dbraw/zinc/35/14/17/793351417.db2.gz HSXHFMUDVSGBCP-OAHLLOKOSA-N 1 0 331.380 -2.067 20 0 EAADRO O=C(c1cc2n(n1)CCNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120593 793351809 /nfs/dbraw/zinc/35/18/09/793351809.db2.gz RDIVQEIZMPMDMB-INIZCTEOSA-N 1 0 330.392 -1.462 20 0 EAADRO O=C(c1cc2n(n1)CCNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120595 793350919 /nfs/dbraw/zinc/35/09/19/793350919.db2.gz RDIVQEIZMPMDMB-MRXNPFEDSA-N 1 0 330.392 -1.462 20 0 EAADRO O=C(c1cnn2c1CNCC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121379 793351772 /nfs/dbraw/zinc/35/17/72/793351772.db2.gz ZIIAUWJWHMYKOM-INIZCTEOSA-N 1 0 330.392 -1.462 20 0 EAADRO O=C(c1cnn2c1CNCC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121381 793351495 /nfs/dbraw/zinc/35/14/95/793351495.db2.gz ZIIAUWJWHMYKOM-MRXNPFEDSA-N 1 0 330.392 -1.462 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1=O ZINC001158122315 793351632 /nfs/dbraw/zinc/35/16/32/793351632.db2.gz LWOFKRVCZXPAHR-UHFFFAOYSA-N 1 0 341.368 -1.938 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)NCCC[NH2+]CCOCCO)C1=O ZINC001158122375 793351190 /nfs/dbraw/zinc/35/11/90/793351190.db2.gz OAKCDKGZDAMHFW-UHFFFAOYSA-N 1 0 329.397 -1.124 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001158122378 793351257 /nfs/dbraw/zinc/35/12/57/793351257.db2.gz OEKOZCINOQJIRT-LLVKDONJSA-N 1 0 329.397 -1.125 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001158122379 786984575 /nfs/dbraw/zinc/98/45/75/786984575.db2.gz OEKOZCINOQJIRT-NSHDSACASA-N 1 0 329.397 -1.125 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001158122702 793350630 /nfs/dbraw/zinc/35/06/30/793350630.db2.gz UBULWZHRHJVKLW-UHFFFAOYSA-N 1 0 337.384 -1.409 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001158122717 793350934 /nfs/dbraw/zinc/35/09/34/793350934.db2.gz USYPAURZBKZTFY-UHFFFAOYSA-N 1 0 326.397 -1.044 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)C1=O ZINC001158122905 793350988 /nfs/dbraw/zinc/35/09/88/793350988.db2.gz XSRZCXHVWXFWOJ-UHFFFAOYSA-N 1 0 347.437 -1.088 20 0 EAADRO Cn1nc2c(c1C(=O)N1CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C1)CNC2 ZINC001158131950 793351642 /nfs/dbraw/zinc/35/16/42/793351642.db2.gz OWDSBBZQSAZDOA-INIZCTEOSA-N 1 0 330.392 -1.425 20 0 EAADRO Cn1nc2c(c1C(=O)N1CC3(C[NH2+]C3)[C@]3(CCNC3=O)C1)CNC2 ZINC001158131955 793351093 /nfs/dbraw/zinc/35/10/93/793351093.db2.gz OWDSBBZQSAZDOA-MRXNPFEDSA-N 1 0 330.392 -1.425 20 0 EAADRO CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001158138780 793351909 /nfs/dbraw/zinc/35/19/09/793351909.db2.gz BYQNZMDINKMSAW-HNNXBMFYSA-N 1 0 340.424 -1.144 20 0 EAADRO CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001158138781 793350823 /nfs/dbraw/zinc/35/08/23/793350823.db2.gz BYQNZMDINKMSAW-OAHLLOKOSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCO ZINC001158141826 793351562 /nfs/dbraw/zinc/35/15/62/793351562.db2.gz GQYNTAPMDRHGJS-CQSZACIVSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)O ZINC001158141914 793351916 /nfs/dbraw/zinc/35/19/16/793351916.db2.gz KAGASGCTKZUXGX-GXTWGEPZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC001158141915 793351452 /nfs/dbraw/zinc/35/14/52/793351452.db2.gz KAGASGCTKZUXGX-TZMCWYRMSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCO ZINC001158142800 793351165 /nfs/dbraw/zinc/35/11/65/793351165.db2.gz ZDUDVFQKPKWURO-CYBMUJFWSA-N 1 0 328.413 -1.456 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)Cn2ncnn2)s1 ZINC001158162813 793352609 /nfs/dbraw/zinc/35/26/09/793352609.db2.gz AXGLJSMDQUIYFH-UHFFFAOYSA-N 1 0 339.385 -1.432 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncnn1)NCc1cccnc1 ZINC001158163047 793352881 /nfs/dbraw/zinc/35/28/81/793352881.db2.gz HRLISSORPGAQAE-UHFFFAOYSA-N 1 0 332.368 -1.520 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001158163051 793352355 /nfs/dbraw/zinc/35/23/55/793352355.db2.gz HYHXYEZTENJMRS-LLVKDONJSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001158163052 793352542 /nfs/dbraw/zinc/35/25/42/793352542.db2.gz HYHXYEZTENJMRS-NSHDSACASA-N 1 0 330.414 -1.406 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163069 793352417 /nfs/dbraw/zinc/35/24/17/793352417.db2.gz ISILIXRUEVJWHE-UHFFFAOYSA-N 1 0 326.405 -1.133 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001158163075 793352600 /nfs/dbraw/zinc/35/26/00/793352600.db2.gz IXPLGZJZPCZRIG-UHFFFAOYSA-N 1 0 330.414 -1.406 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163077 793353190 /nfs/dbraw/zinc/35/31/90/793353190.db2.gz IZRBUMWWQYCPTL-UHFFFAOYSA-N 1 0 326.361 -1.995 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]CCCNC(=O)Cn1ncnn1)[nH]c2=O ZINC001158163080 793352967 /nfs/dbraw/zinc/35/29/67/793352967.db2.gz JBQGKWGYFWGXLU-UHFFFAOYSA-N 1 0 346.355 -1.649 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163081 793352637 /nfs/dbraw/zinc/35/26/37/793352637.db2.gz JDAGRBWMYKWROD-UHFFFAOYSA-N 1 0 333.418 -1.902 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]Cc1ncnn1CC(F)F ZINC001158163270 793352565 /nfs/dbraw/zinc/35/25/65/793352565.db2.gz NDCNAARUXWMFRD-UHFFFAOYSA-N 1 0 329.315 -1.174 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncnn1)Nc1nncs1 ZINC001158163272 793352730 /nfs/dbraw/zinc/35/27/30/793352730.db2.gz NFUZQEXCHYSPCS-UHFFFAOYSA-N 1 0 325.358 -1.741 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001158163397 793352485 /nfs/dbraw/zinc/35/24/85/793352485.db2.gz OFLALJHLXNRWJZ-UHFFFAOYSA-N 1 0 337.306 -1.162 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163449 793352344 /nfs/dbraw/zinc/35/23/44/793352344.db2.gz QTTDLYZNMSGOOD-SECBINFHSA-N 1 0 326.361 -1.997 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163450 793352827 /nfs/dbraw/zinc/35/28/27/793352827.db2.gz QTTDLYZNMSGOOD-VIFPVBQESA-N 1 0 326.361 -1.997 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)Nc1ncccn1 ZINC001158163513 793352241 /nfs/dbraw/zinc/35/22/41/793352241.db2.gz SZYYJXXLOXQWMD-JTQLQIEISA-N 1 0 333.356 -1.414 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)Nc1ncccn1 ZINC001158163515 793353154 /nfs/dbraw/zinc/35/31/54/793353154.db2.gz SZYYJXXLOXQWMD-SNVBAGLBSA-N 1 0 333.356 -1.414 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncnn1)NC1CCOCC1 ZINC001158163581 793353248 /nfs/dbraw/zinc/35/32/48/793353248.db2.gz VFEAYYYWFWEWIV-UHFFFAOYSA-N 1 0 325.373 -1.936 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]CCCNC(=O)Cn2ncnn2)CC1 ZINC001158163607 793352093 /nfs/dbraw/zinc/35/20/93/793352093.db2.gz VJLAXFHUWDSJJM-UHFFFAOYSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001158163710 793352406 /nfs/dbraw/zinc/35/24/06/793352406.db2.gz XEKFDQRITSNZLO-UHFFFAOYSA-N 1 0 331.402 -2.196 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncnn1)NC[C@H]1CCCO1 ZINC001158164023 793353268 /nfs/dbraw/zinc/35/32/68/793353268.db2.gz ZNVASIHNRKDIFM-LLVKDONJSA-N 1 0 325.373 -1.936 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncnn1)NC[C@@H]1CCCO1 ZINC001158164024 793352812 /nfs/dbraw/zinc/35/28/12/793352812.db2.gz ZNVASIHNRKDIFM-NSHDSACASA-N 1 0 325.373 -1.936 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(COC2)C1 ZINC001158166505 793352663 /nfs/dbraw/zinc/35/26/63/793352663.db2.gz BKNKCYKGZWUJOZ-RYUDHWBXSA-N 1 0 338.408 -1.310 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158169388 793352323 /nfs/dbraw/zinc/35/23/23/793352323.db2.gz AEPFHFZSLNLOOP-UHFFFAOYSA-N 1 0 340.388 -1.607 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001158169401 793352931 /nfs/dbraw/zinc/35/29/31/793352931.db2.gz ARVPCSKDFCYBBR-LLVKDONJSA-N 1 0 330.414 -1.406 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001158169403 793352336 /nfs/dbraw/zinc/35/23/36/793352336.db2.gz ARVPCSKDFCYBBR-NSHDSACASA-N 1 0 330.414 -1.406 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)Cn2ncnn2)C1 ZINC001158169406 793353173 /nfs/dbraw/zinc/35/31/73/793353173.db2.gz ASMVFAINBGDZGY-LLVKDONJSA-N 1 0 345.429 -1.950 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)Cn2ncnn2)C1 ZINC001158169408 793352941 /nfs/dbraw/zinc/35/29/41/793352941.db2.gz ASMVFAINBGDZGY-NSHDSACASA-N 1 0 345.429 -1.950 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001158169789 793353010 /nfs/dbraw/zinc/35/30/10/793353010.db2.gz FTFAREXZOCZWGQ-JTQLQIEISA-N 1 0 339.356 -2.721 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001158169790 793352853 /nfs/dbraw/zinc/35/28/53/793352853.db2.gz FTFAREXZOCZWGQ-SNVBAGLBSA-N 1 0 339.356 -2.721 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001158169799 793352995 /nfs/dbraw/zinc/35/29/95/793352995.db2.gz GAAADNABFVRQCT-GFCCVEGCSA-N 1 0 349.399 -1.403 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001158169800 793352128 /nfs/dbraw/zinc/35/21/28/793352128.db2.gz GAAADNABFVRQCT-LBPRGKRZSA-N 1 0 349.399 -1.403 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001158169805 793353140 /nfs/dbraw/zinc/35/31/40/793353140.db2.gz GCRKZTFUXCTCPO-UHFFFAOYSA-N 1 0 342.367 -1.055 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001158169873 793352474 /nfs/dbraw/zinc/35/24/74/793352474.db2.gz HIWOJCPBHIFIMV-GFCCVEGCSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001158169875 793352767 /nfs/dbraw/zinc/35/27/67/793352767.db2.gz HIWOJCPBHIFIMV-LBPRGKRZSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001158169936 793352646 /nfs/dbraw/zinc/35/26/46/793352646.db2.gz IAWQVLBAQIICDG-UHFFFAOYSA-N 1 0 344.339 -1.191 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001158169982 793352911 /nfs/dbraw/zinc/35/29/11/793352911.db2.gz JEWZRMARLOBPBD-UHFFFAOYSA-N 1 0 348.293 -1.482 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(COC2)C1 ZINC001158169994 793352039 /nfs/dbraw/zinc/35/20/39/793352039.db2.gz XYDHVHOIZSDWEO-UHFFFAOYSA-N 1 0 341.368 -3.457 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)Cn3ncnn3)C2=O)n1 ZINC001158170307 793352717 /nfs/dbraw/zinc/35/27/17/793352717.db2.gz JUHUCXDKMBLISJ-LLVKDONJSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)Cn3ncnn3)C2=O)n1 ZINC001158170308 793352279 /nfs/dbraw/zinc/35/22/79/793352279.db2.gz JUHUCXDKMBLISJ-NSHDSACASA-N 1 0 347.383 -1.692 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)Cn1ncnn1)c1nccs1 ZINC001158170339 793353201 /nfs/dbraw/zinc/35/32/01/793353201.db2.gz LFWCQKORFXCYPZ-UHFFFAOYSA-N 1 0 338.397 -1.112 20 0 EAADRO CS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)Cn2ncnn2)o1 ZINC001158170378 793352583 /nfs/dbraw/zinc/35/25/83/793352583.db2.gz NLDRXAUSCLVDTM-UHFFFAOYSA-N 1 0 342.381 -1.034 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001158170480 793353291 /nfs/dbraw/zinc/35/32/91/793353291.db2.gz PLFMCDWXLIMQKD-SECBINFHSA-N 1 0 349.317 -1.068 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001158170481 793352264 /nfs/dbraw/zinc/35/22/64/793352264.db2.gz PLFMCDWXLIMQKD-VIFPVBQESA-N 1 0 349.317 -1.068 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170503 793352445 /nfs/dbraw/zinc/35/24/45/793352445.db2.gz QCKWCMNLHGFIGA-UHFFFAOYSA-N 1 0 337.306 -1.210 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170601 793353216 /nfs/dbraw/zinc/35/32/16/793353216.db2.gz RLCWREZVUJLFQG-UHFFFAOYSA-N 1 0 340.388 -1.749 20 0 EAADRO Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)Cn3ncnn3)C2=O)cn1 ZINC001158170668 793352191 /nfs/dbraw/zinc/35/21/91/793352191.db2.gz SQZLAJQRGSHAGT-GFCCVEGCSA-N 1 0 347.383 -1.692 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)Cn3ncnn3)C2=O)cn1 ZINC001158170669 793353230 /nfs/dbraw/zinc/35/32/30/793353230.db2.gz SQZLAJQRGSHAGT-LBPRGKRZSA-N 1 0 347.383 -1.692 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001158170670 793353084 /nfs/dbraw/zinc/35/30/84/793353084.db2.gz SSXCYSPSFYUSPG-SECBINFHSA-N 1 0 340.306 -1.291 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001158170671 793352303 /nfs/dbraw/zinc/35/23/03/793352303.db2.gz SSXCYSPSFYUSPG-VIFPVBQESA-N 1 0 340.306 -1.291 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2ncnn2)C[C@H](C)O1 ZINC001158170674 793352231 /nfs/dbraw/zinc/35/22/31/793352231.db2.gz SXOFBKVYDZYVCF-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2ncnn2)C[C@H](C)O1 ZINC001158170675 793352516 /nfs/dbraw/zinc/35/25/16/793352516.db2.gz SXOFBKVYDZYVCF-TXEJJXNPSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2ncnn2)C[C@@H](C)O1 ZINC001158170676 793352555 /nfs/dbraw/zinc/35/25/55/793352555.db2.gz SXOFBKVYDZYVCF-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001158170684 793353006 /nfs/dbraw/zinc/35/30/06/793353006.db2.gz TZXWGHAISGJMLD-NSHDSACASA-N 1 0 325.373 -2.248 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)Cn2ncnn2)n1 ZINC001158170694 793353125 /nfs/dbraw/zinc/35/31/25/793353125.db2.gz UVBPCTSWJUSXIE-UHFFFAOYSA-N 1 0 336.404 -1.247 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncnn1)NC[C@H]1CCOC1 ZINC001158170696 793352949 /nfs/dbraw/zinc/35/29/49/793352949.db2.gz UYOGFNIYEUFCBY-LLVKDONJSA-N 1 0 325.373 -2.078 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncnn1)NC[C@@H]1CCOC1 ZINC001158170697 793352989 /nfs/dbraw/zinc/35/29/89/793352989.db2.gz UYOGFNIYEUFCBY-NSHDSACASA-N 1 0 325.373 -2.078 20 0 EAADRO CC(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170699 793352892 /nfs/dbraw/zinc/35/28/92/793352892.db2.gz VARNLCNHEUDKLL-UHFFFAOYSA-N 1 0 332.430 -1.018 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170701 787006202 /nfs/dbraw/zinc/00/62/02/787006202.db2.gz VEQSMMWUFDESGF-UHFFFAOYSA-N 1 0 333.418 -1.950 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170712 793352152 /nfs/dbraw/zinc/35/21/52/793352152.db2.gz VKAFVAMLBIQDGI-NEPJUHHUSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170713 793352906 /nfs/dbraw/zinc/35/29/06/793352906.db2.gz VKAFVAMLBIQDGI-NWDGAFQWSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170714 793352896 /nfs/dbraw/zinc/35/28/96/793352896.db2.gz VKAFVAMLBIQDGI-RYUDHWBXSA-N 1 0 330.389 -1.819 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170715 793352630 /nfs/dbraw/zinc/35/26/30/793352630.db2.gz VKAFVAMLBIQDGI-VXGBXAGGSA-N 1 0 330.389 -1.819 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170730 793353041 /nfs/dbraw/zinc/35/30/41/793353041.db2.gz VXGLJCBMALPQDR-UHFFFAOYSA-N 1 0 349.399 -1.839 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170755 793352395 /nfs/dbraw/zinc/35/23/95/793352395.db2.gz WMXPZJHQYULKQK-UHFFFAOYSA-N 1 0 348.429 -1.780 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2ncnn2)CCO1 ZINC001158170883 793352315 /nfs/dbraw/zinc/35/23/15/793352315.db2.gz XQUQHUWMCPNSHD-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cn2ncnn2)CCO1 ZINC001158170884 793352057 /nfs/dbraw/zinc/35/20/57/793352057.db2.gz XQUQHUWMCPNSHD-NSHDSACASA-N 1 0 325.373 -1.984 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158175772 793353022 /nfs/dbraw/zinc/35/30/22/793353022.db2.gz DTTUIRVYXMSEMI-UHFFFAOYSA-N 1 0 349.399 -1.242 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158175915 793353182 /nfs/dbraw/zinc/35/31/82/793353182.db2.gz GRDLLISCDPVTCQ-LLVKDONJSA-N 1 0 327.389 -1.690 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158175917 793352702 /nfs/dbraw/zinc/35/27/02/793352702.db2.gz GRDLLISCDPVTCQ-NSHDSACASA-N 1 0 327.389 -1.690 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176085 793352710 /nfs/dbraw/zinc/35/27/10/793352710.db2.gz JFWLEIBXWTZIFP-GFCCVEGCSA-N 1 0 341.416 -1.300 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176129 793353017 /nfs/dbraw/zinc/35/30/17/793353017.db2.gz JFWLEIBXWTZIFP-LBPRGKRZSA-N 1 0 341.416 -1.300 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)Cn2ncnn2)n(C)n1 ZINC001158176141 793352865 /nfs/dbraw/zinc/35/28/65/793352865.db2.gz JRUOXPLDJJPRFH-UHFFFAOYSA-N 1 0 335.372 -1.550 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001158176195 793352174 /nfs/dbraw/zinc/35/21/74/793352174.db2.gz KWRCWFBKMAIRAW-CHWSQXEVSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001158176196 793352925 /nfs/dbraw/zinc/35/29/25/793352925.db2.gz KWRCWFBKMAIRAW-OLZOCXBDSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001158176197 793352506 /nfs/dbraw/zinc/35/25/06/793352506.db2.gz KWRCWFBKMAIRAW-QWHCGFSZSA-N 1 0 342.400 -1.675 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001158176198 793352208 /nfs/dbraw/zinc/35/22/08/793352208.db2.gz KWRCWFBKMAIRAW-STQMWFEESA-N 1 0 342.400 -1.675 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176299 793353117 /nfs/dbraw/zinc/35/31/17/793353117.db2.gz NHEHYHOTJFJJGD-UHFFFAOYSA-N 1 0 341.416 -1.300 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001158176318 793353301 /nfs/dbraw/zinc/35/33/01/793353301.db2.gz NPUZGZVDZRUBOV-GFCCVEGCSA-N 1 0 338.368 -1.060 20 0 EAADRO O=C(Cn1ncnn1)NCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001158176321 793352956 /nfs/dbraw/zinc/35/29/56/793352956.db2.gz NPUZGZVDZRUBOV-LBPRGKRZSA-N 1 0 338.368 -1.060 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NC[C@@H]1CCCO1 ZINC001158176377 793352784 /nfs/dbraw/zinc/35/27/84/793352784.db2.gz OOMBQYZRPCGISD-NEPJUHHUSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NC[C@H]1CCCO1 ZINC001158176378 793352781 /nfs/dbraw/zinc/35/27/81/793352781.db2.gz OOMBQYZRPCGISD-NWDGAFQWSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NC[C@@H]1CCCO1 ZINC001158176379 793353309 /nfs/dbraw/zinc/35/33/09/793353309.db2.gz OOMBQYZRPCGISD-RYUDHWBXSA-N 1 0 339.400 -1.547 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NC[C@H]1CCCO1 ZINC001158176380 793352527 /nfs/dbraw/zinc/35/25/27/793352527.db2.gz OOMBQYZRPCGISD-VXGBXAGGSA-N 1 0 339.400 -1.547 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cn2ncnn2)n(C)c1=O ZINC001158176649 793354749 /nfs/dbraw/zinc/35/47/49/793354749.db2.gz SZLBGXIZCITIPO-UHFFFAOYSA-N 1 0 336.356 -2.633 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NC(=O)NC1CC1 ZINC001158176741 793353599 /nfs/dbraw/zinc/35/35/99/793353599.db2.gz WGUSEMQKEMJYNR-SECBINFHSA-N 1 0 338.372 -1.854 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NC(=O)NC1CC1 ZINC001158176745 793353627 /nfs/dbraw/zinc/35/36/27/793353627.db2.gz WGUSEMQKEMJYNR-VIFPVBQESA-N 1 0 338.372 -1.854 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176767 793354245 /nfs/dbraw/zinc/35/42/45/793354245.db2.gz WOFBLGTYBJMUAS-UHFFFAOYSA-N 1 0 335.372 -1.252 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176823 793354707 /nfs/dbraw/zinc/35/47/07/793354707.db2.gz XKEOYJJBENDYIA-JTQLQIEISA-N 1 0 340.388 -1.608 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176825 793353677 /nfs/dbraw/zinc/35/36/77/793353677.db2.gz XKEOYJJBENDYIA-SNVBAGLBSA-N 1 0 340.388 -1.608 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001158176838 793353799 /nfs/dbraw/zinc/35/37/99/793353799.db2.gz XVPGNHRJVKWPMG-JTQLQIEISA-N 1 0 340.388 -2.638 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001158176841 793353850 /nfs/dbraw/zinc/35/38/50/793353850.db2.gz XVPGNHRJVKWPMG-SNVBAGLBSA-N 1 0 340.388 -2.638 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)Cn2ncnn2)C1=O ZINC001158176846 793354208 /nfs/dbraw/zinc/35/42/08/793354208.db2.gz YCRKHBPPJFQCBB-UHFFFAOYSA-N 1 0 338.372 -1.901 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NCC(F)(F)F ZINC001158176869 793353583 /nfs/dbraw/zinc/35/35/83/793353583.db2.gz YKHYTOXCLRSKTM-MRVPVSSYSA-N 1 0 337.306 -1.164 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ncnn1)C(=O)NCC(F)(F)F ZINC001158176871 793354319 /nfs/dbraw/zinc/35/43/19/793354319.db2.gz YKHYTOXCLRSKTM-QMMMGPOBSA-N 1 0 337.306 -1.164 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158177005 793354087 /nfs/dbraw/zinc/35/40/87/793354087.db2.gz ZMBYNDHCRCOBED-UHFFFAOYSA-N 1 0 340.388 -1.605 20 0 EAADRO Nc1nc2c(ncn2CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c(=O)[nH]1 ZINC001158179417 793354631 /nfs/dbraw/zinc/35/46/31/793354631.db2.gz LYPVWWHVHUETDE-RKDXNWHRSA-N 1 0 333.352 -1.439 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC12CCCC2 ZINC001158179596 793353711 /nfs/dbraw/zinc/35/37/11/793353711.db2.gz PASDDJNNOWOBQA-UHFFFAOYSA-N 1 0 339.396 -2.161 20 0 EAADRO COc1cc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)ncn1 ZINC001158189728 793354769 /nfs/dbraw/zinc/35/47/69/793354769.db2.gz UZLVZTGNGRZVRW-UHFFFAOYSA-N 1 0 336.352 -1.254 20 0 EAADRO COc1cc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)ncn1 ZINC001158189797 793353590 /nfs/dbraw/zinc/35/35/90/793353590.db2.gz XRTRWVUBPJDVLD-UHFFFAOYSA-N 1 0 331.398 -1.256 20 0 EAADRO Cn1c2ncn(CC(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)c2c(=O)n(C)c1=O ZINC001158192621 793354094 /nfs/dbraw/zinc/35/40/94/793354094.db2.gz AZJKPNWTCWIYHR-VHSXEESVSA-N 1 0 332.364 -1.604 20 0 EAADRO COc1cc(-n2cncc2C[C@@H]([NH3+])CO)nc(S(C)(=O)=O)n1 ZINC001158203761 793354370 /nfs/dbraw/zinc/35/43/70/793354370.db2.gz HJTUDDSKAJQEHA-MRVPVSSYSA-N 1 0 327.366 -1.064 20 0 EAADRO NC(=O)[C@@H]1CCCN1c1cc(-n2cncc2C[C@@H]([NH3+])CO)ncn1 ZINC001158209496 793354143 /nfs/dbraw/zinc/35/41/43/793354143.db2.gz VAAYSSYJFLQVEI-PWSUYJOCSA-N 1 0 331.380 -1.022 20 0 EAADRO NC(=O)[C@H]1CCCN1c1cc(-n2cncc2C[C@@H]([NH3+])CO)ncn1 ZINC001158209497 793353399 /nfs/dbraw/zinc/35/33/99/793353399.db2.gz VAAYSSYJFLQVEI-ZYHUDNBSSA-N 1 0 331.380 -1.022 20 0 EAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001158235261 793354353 /nfs/dbraw/zinc/35/43/53/793354353.db2.gz AWGRGGIRJAHRGN-GWCFXTLKSA-N 1 0 349.409 -2.145 20 0 EAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001158235262 793354128 /nfs/dbraw/zinc/35/41/28/793354128.db2.gz AYKPFULFQJMJEV-QSDJMHMYSA-N 1 0 329.353 -2.541 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC2(C1)CCCO2 ZINC001158235288 793353989 /nfs/dbraw/zinc/35/39/89/793353989.db2.gz CBLTURFREZSVFU-UHFFFAOYSA-N 1 0 341.368 -3.315 20 0 EAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C2 ZINC001158235291 793354523 /nfs/dbraw/zinc/35/45/23/793354523.db2.gz CDIUBMAQZBBYBO-MKBNYLNASA-N 1 0 339.392 -1.026 20 0 EAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158235346 793354676 /nfs/dbraw/zinc/35/46/76/793354676.db2.gz FRKQATJPEUQDIH-PGUXBMHVSA-N 1 0 325.365 -1.416 20 0 EAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001158235360 793354508 /nfs/dbraw/zinc/35/45/08/793354508.db2.gz GGYMIZRCCREBBG-RBZYPMLTSA-N 1 0 328.369 -1.590 20 0 EAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001158236002 793353973 /nfs/dbraw/zinc/35/39/73/793353973.db2.gz VJXBMEPYCUOJEQ-PGUXBMHVSA-N 1 0 325.365 -2.035 20 0 EAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001158236004 793353825 /nfs/dbraw/zinc/35/38/25/793353825.db2.gz VJXBMEPYCUOJEQ-RWSFTLGLSA-N 1 0 325.365 -2.035 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC2(C1)CCCO2 ZINC001158240052 793354435 /nfs/dbraw/zinc/35/44/35/793354435.db2.gz IRCCDWVGPGLFKK-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261164 793354562 /nfs/dbraw/zinc/35/45/62/793354562.db2.gz LIULKWBPTCARSX-GFCCVEGCSA-N 1 0 330.396 -1.008 20 0 EAADRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261165 793353452 /nfs/dbraw/zinc/35/34/52/793353452.db2.gz LIULKWBPTCARSX-LBPRGKRZSA-N 1 0 330.396 -1.008 20 0 EAADRO O=C(CN1CCNCC1=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262220 793354781 /nfs/dbraw/zinc/35/47/81/793354781.db2.gz RVYWWPGAHKFUEI-UHFFFAOYSA-N 1 0 333.396 -1.869 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001158263706 793354551 /nfs/dbraw/zinc/35/45/51/793354551.db2.gz GGPQVTXDEPHEIX-GHMZBOCLSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001158263852 793354472 /nfs/dbraw/zinc/35/44/72/793354472.db2.gz HRRLGDPWGPLBTQ-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001158264389 793354664 /nfs/dbraw/zinc/35/46/64/793354664.db2.gz RKMVTSBLGFUHME-NXEZZACHSA-N 1 0 327.385 -1.547 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001158264678 793354689 /nfs/dbraw/zinc/35/46/89/793354689.db2.gz XDRWGNRLXNOGCM-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)NCCNC(=O)CCC(=O)NCC[NH+]1CCC(O)CC1 ZINC001158273723 793353783 /nfs/dbraw/zinc/35/37/83/793353783.db2.gz JIKZGNNTHKUEFT-UHFFFAOYSA-N 1 0 328.413 -1.408 20 0 EAADRO COCCCS(=O)(=O)NCC(=O)NCC[NH+]1CCC(O)CC1 ZINC001158274284 793353498 /nfs/dbraw/zinc/35/34/98/793353498.db2.gz VKTYJBUCEOVRBZ-UHFFFAOYSA-N 1 0 337.442 -1.485 20 0 EAADRO Cn1nnc(CNCCCNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001158274880 793353836 /nfs/dbraw/zinc/35/38/36/793353836.db2.gz ILIYBPQFQKEGOT-UHFFFAOYSA-N 1 0 335.416 -1.122 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001158275096 793353540 /nfs/dbraw/zinc/35/35/40/793353540.db2.gz OELYWOHVTRFBIH-GHMZBOCLSA-N 1 0 334.442 -1.454 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001158275205 793354106 /nfs/dbraw/zinc/35/41/06/793354106.db2.gz OMTHXOXCUSGLII-GMTAPVOTSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001158275206 793353578 /nfs/dbraw/zinc/35/35/78/793353578.db2.gz OMTHXOXCUSGLII-OUAUKWLOSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C(=O)NC(N)=O ZINC001158275284 793354323 /nfs/dbraw/zinc/35/43/23/793354323.db2.gz SHJMHJWZHLIGOP-KXUCPTDWSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C(=O)NC(N)=O ZINC001158275285 793354334 /nfs/dbraw/zinc/35/43/34/793354334.db2.gz SHJMHJWZHLIGOP-OPRDCNLKSA-N 1 0 327.385 -1.420 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001158275292 793354717 /nfs/dbraw/zinc/35/47/17/793354717.db2.gz SLMPAXSGKUMNQV-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001158275570 793354385 /nfs/dbraw/zinc/35/43/85/793354385.db2.gz YVYQYDAGHULAAG-VXGBXAGGSA-N 1 0 348.469 -1.064 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCOC ZINC001158277068 793355758 /nfs/dbraw/zinc/35/57/58/793355758.db2.gz MMQPCSOMIHYXHG-GFCCVEGCSA-N 1 0 336.458 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCO ZINC001158277476 793355169 /nfs/dbraw/zinc/35/51/69/793355169.db2.gz TZCCSAXCPADETG-GFCCVEGCSA-N 1 0 336.458 -1.265 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)O ZINC001158277597 793356112 /nfs/dbraw/zinc/35/61/12/793356112.db2.gz XXUKXKIETQKPSI-NWDGAFQWSA-N 1 0 336.458 -1.266 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)O ZINC001158277598 793356069 /nfs/dbraw/zinc/35/60/69/793356069.db2.gz XXUKXKIETQKPSI-VXGBXAGGSA-N 1 0 336.458 -1.266 20 0 EAADRO O=C(c1nnn2c1CNCC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286504 793356084 /nfs/dbraw/zinc/35/60/84/793356084.db2.gz VLJWGISPMDPYCZ-UHFFFAOYSA-N 1 0 343.395 -1.293 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305963 793355268 /nfs/dbraw/zinc/35/52/68/793355268.db2.gz NBQPQXQBCDWBOR-RVMXOQNASA-N 1 0 337.424 -1.739 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306368 793355032 /nfs/dbraw/zinc/35/50/32/793355032.db2.gz RFBAIHGBXAICIK-VHSXEESVSA-N 1 0 340.384 -3.886 20 0 EAADRO CNC(=O)CN(C)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001158310663 793356421 /nfs/dbraw/zinc/35/64/21/793356421.db2.gz FLWQSBBBZSWMLH-CYBMUJFWSA-N 1 0 339.440 -1.523 20 0 EAADRO C[C@H](C(N)=O)N(C)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001158310939 793356387 /nfs/dbraw/zinc/35/63/87/793356387.db2.gz OFBGVEWHHQCMAU-CHWSQXEVSA-N 1 0 339.440 -1.395 20 0 EAADRO C[C@@H](C(N)=O)N(C)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001158310940 793355302 /nfs/dbraw/zinc/35/53/02/793355302.db2.gz OFBGVEWHHQCMAU-QWHCGFSZSA-N 1 0 339.440 -1.395 20 0 EAADRO CN(CC(N)=O)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001158310982 793355433 /nfs/dbraw/zinc/35/54/33/793355433.db2.gz PXWLBUZQWRTYJJ-GFCCVEGCSA-N 1 0 325.413 -1.784 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC001158311187 793356225 /nfs/dbraw/zinc/35/62/25/793356225.db2.gz WQPFKLRJSOVHIF-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC001158311188 793356477 /nfs/dbraw/zinc/35/64/77/793356477.db2.gz WQPFKLRJSOVHIF-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cn2c(n1)CCC2)N1CCNC(=O)C1 ZINC001158318880 793355241 /nfs/dbraw/zinc/35/52/41/793355241.db2.gz RWEYZRPOTKHDDG-UHFFFAOYSA-N 1 0 348.407 -1.503 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158320618 793355686 /nfs/dbraw/zinc/35/56/86/793355686.db2.gz VRIIHKZYIODXJT-BDAKNGLRSA-N 1 0 327.353 -1.301 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326707 793354954 /nfs/dbraw/zinc/35/49/54/793354954.db2.gz LRIRWPRYCWVWPY-UHFFFAOYSA-N 1 0 348.425 -2.286 20 0 EAADRO [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327124 793354976 /nfs/dbraw/zinc/35/49/76/793354976.db2.gz RRRLGLKFJFSNQA-CYBMUJFWSA-N 1 0 339.440 -1.756 20 0 EAADRO [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327127 793355789 /nfs/dbraw/zinc/35/57/89/793355789.db2.gz RRRLGLKFJFSNQA-ZDUSSCGKSA-N 1 0 339.440 -1.756 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335270 793355842 /nfs/dbraw/zinc/35/58/42/793355842.db2.gz POEVBEWARGLNNX-FBUXBERBSA-N 1 0 332.404 -1.092 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001158335818 793355699 /nfs/dbraw/zinc/35/56/99/793355699.db2.gz CUWNSHLXFFRJBD-SECBINFHSA-N 1 0 338.372 -1.669 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCCNCc2nc(C3CC3)no2)n1 ZINC001158336781 793354989 /nfs/dbraw/zinc/35/49/89/793354989.db2.gz AIMXQBAXRGWXPB-UHFFFAOYSA-N 1 0 348.367 -1.067 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158336820 793355728 /nfs/dbraw/zinc/35/57/28/793355728.db2.gz BCTCAVZOKRBMNM-UHFFFAOYSA-N 1 0 339.400 -1.659 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]CCOCC(F)F)n1 ZINC001158336827 793355337 /nfs/dbraw/zinc/35/53/37/793355337.db2.gz BEYYROMCBSLNIP-UHFFFAOYSA-N 1 0 334.327 -1.245 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]CCN2CCNC2=O)n1 ZINC001158336855 793356217 /nfs/dbraw/zinc/35/62/17/793356217.db2.gz BSQFUULADGVHQW-UHFFFAOYSA-N 1 0 338.372 -2.502 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158336869 787045968 /nfs/dbraw/zinc/04/59/68/787045968.db2.gz BWESBWQNALOIIO-UHFFFAOYSA-N 1 0 346.413 -2.092 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]C[C@@H]2CCc3ncnn32)n1 ZINC001158336871 793355615 /nfs/dbraw/zinc/35/56/15/793355615.db2.gz BWOKNDLEENGZTH-JTQLQIEISA-N 1 0 347.383 -1.748 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]C[C@H]2CCc3ncnn32)n1 ZINC001158336873 793356255 /nfs/dbraw/zinc/35/62/55/793356255.db2.gz BWOKNDLEENGZTH-SNVBAGLBSA-N 1 0 347.383 -1.748 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(=O)N(C)C ZINC001158336884 793355558 /nfs/dbraw/zinc/35/55/58/793355558.db2.gz CBXPZCQSJVQTJF-SECBINFHSA-N 1 0 325.373 -2.050 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(=O)N(C)C ZINC001158336885 793355344 /nfs/dbraw/zinc/35/53/44/793355344.db2.gz CBXPZCQSJVQTJF-VIFPVBQESA-N 1 0 325.373 -2.050 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158336889 793355570 /nfs/dbraw/zinc/35/55/70/793355570.db2.gz CCFRDXSZGWSYQL-UHFFFAOYSA-N 1 0 339.400 -1.611 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001158336895 793355259 /nfs/dbraw/zinc/35/52/59/793355259.db2.gz CEUIXOLOKOBMTD-UHFFFAOYSA-N 1 0 349.399 -1.619 20 0 EAADRO CCn1cc(CC[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)cn1 ZINC001158336925 793356192 /nfs/dbraw/zinc/35/61/92/793356192.db2.gz DQZPKYNVGJVVCR-UHFFFAOYSA-N 1 0 348.411 -1.068 20 0 EAADRO Cc1cc(C)n(CC[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001158336930 793355396 /nfs/dbraw/zinc/35/53/96/793355396.db2.gz DYSSRIKKZDYYAR-UHFFFAOYSA-N 1 0 348.411 -1.014 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(=O)NC1CC1 ZINC001158337144 793354946 /nfs/dbraw/zinc/35/49/46/793354946.db2.gz FVSWKAMCKYBISQ-SECBINFHSA-N 1 0 337.384 -1.860 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(=O)NC1CC1 ZINC001158337145 793355554 /nfs/dbraw/zinc/35/55/54/793355554.db2.gz FVSWKAMCKYBISQ-VIFPVBQESA-N 1 0 337.384 -1.860 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337146 793356334 /nfs/dbraw/zinc/35/63/34/793356334.db2.gz FWHWWQWLAUOLOK-UHFFFAOYSA-N 1 0 347.401 -2.978 20 0 EAADRO CN1CCC[C@H]([NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001158337175 793354937 /nfs/dbraw/zinc/35/49/37/793354937.db2.gz GYUZCEGODYUFHQ-JTQLQIEISA-N 1 0 337.384 -1.906 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001158337176 793355155 /nfs/dbraw/zinc/35/51/55/793355155.db2.gz GYUZCEGODYUFHQ-SNVBAGLBSA-N 1 0 337.384 -1.906 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001158337178 793355931 /nfs/dbraw/zinc/35/59/31/793355931.db2.gz HBQMECOPOOYEPV-JTQLQIEISA-N 1 0 337.384 -1.906 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001158337179 793355628 /nfs/dbraw/zinc/35/56/28/793355628.db2.gz HBQMECOPOOYEPV-SNVBAGLBSA-N 1 0 337.384 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]CC(=O)N2CCCC2)n1 ZINC001158337193 793355330 /nfs/dbraw/zinc/35/53/30/793355330.db2.gz IAUYKISANLHDAL-UHFFFAOYSA-N 1 0 337.384 -1.905 20 0 EAADRO Cc1noc([C@@H](C)NCCCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001158337325 793355111 /nfs/dbraw/zinc/35/51/11/793355111.db2.gz JFAPHTSKQIJCQE-MRVPVSSYSA-N 1 0 336.356 -1.074 20 0 EAADRO Cc1noc([C@H](C)NCCCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001158337326 793355808 /nfs/dbraw/zinc/35/58/08/793355808.db2.gz JFAPHTSKQIJCQE-QMMMGPOBSA-N 1 0 336.356 -1.074 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337340 793356155 /nfs/dbraw/zinc/35/61/55/793356155.db2.gz KIFUCTYBAHRJGB-UHFFFAOYSA-N 1 0 340.344 -3.072 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]C[C@H]2C[C@]23CCOC3)n1 ZINC001158337378 793355879 /nfs/dbraw/zinc/35/58/79/793355879.db2.gz MGACCXMUASOIJK-ABAIWWIYSA-N 1 0 336.396 -1.101 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]C[C@H]2C[C@@]23CCOC3)n1 ZINC001158337379 793356038 /nfs/dbraw/zinc/35/60/38/793356038.db2.gz MGACCXMUASOIJK-IAQYHMDHSA-N 1 0 336.396 -1.101 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]C[C@@H]2C[C@]23CCOC3)n1 ZINC001158337380 793355833 /nfs/dbraw/zinc/35/58/33/793355833.db2.gz MGACCXMUASOIJK-NHYWBVRUSA-N 1 0 336.396 -1.101 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]C[C@@H]2C[C@@]23CCOC3)n1 ZINC001158337381 793355405 /nfs/dbraw/zinc/35/54/05/793355405.db2.gz MGACCXMUASOIJK-XHDPSFHLSA-N 1 0 336.396 -1.101 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337393 793355869 /nfs/dbraw/zinc/35/58/69/793355869.db2.gz MPZJQYJRNKWOEA-UHFFFAOYSA-N 1 0 325.373 -2.001 20 0 EAADRO CCCC[C@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001158337413 793356458 /nfs/dbraw/zinc/35/64/58/793356458.db2.gz NFGQFTHLBZCRIG-JTQLQIEISA-N 1 0 339.400 -1.483 20 0 EAADRO CCCC[C@@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001158337414 793357981 /nfs/dbraw/zinc/35/79/81/793357981.db2.gz NFGQFTHLBZCRIG-SNVBAGLBSA-N 1 0 339.400 -1.483 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]CCNC(=O)C2CC2)n1 ZINC001158337417 793357801 /nfs/dbraw/zinc/35/78/01/793357801.db2.gz NGHNPNLFGZIWQP-UHFFFAOYSA-N 1 0 337.384 -2.001 20 0 EAADRO Cn1cc(CC[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)cn1 ZINC001158337419 793356903 /nfs/dbraw/zinc/35/69/03/793356903.db2.gz NHKUDGGDBQPFBW-UHFFFAOYSA-N 1 0 334.384 -1.551 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001158337422 793356719 /nfs/dbraw/zinc/35/67/19/793356719.db2.gz NKWBEANGSBUBQP-UHFFFAOYSA-N 1 0 337.384 -1.906 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(=O)NC(N)=O ZINC001158337479 793357242 /nfs/dbraw/zinc/35/72/42/793357242.db2.gz OTDYWPRCDCPHPP-SSDOTTSWSA-N 1 0 340.344 -2.944 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1)C(=O)NC(N)=O ZINC001158337484 793357123 /nfs/dbraw/zinc/35/71/23/793357123.db2.gz OTDYWPRCDCPHPP-ZETCQYMHSA-N 1 0 340.344 -2.944 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337520 793356945 /nfs/dbraw/zinc/35/69/45/793356945.db2.gz QDIBQRQARNPYTE-UHFFFAOYSA-N 1 0 328.373 -1.864 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337533 793357971 /nfs/dbraw/zinc/35/79/71/793357971.db2.gz QMQPXHUJUNTQMW-UHFFFAOYSA-N 1 0 326.317 -3.332 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2nnnn2C2CC2)n1 ZINC001158337547 793357250 /nfs/dbraw/zinc/35/72/50/793357250.db2.gz QYRDIUZOULHDDL-UHFFFAOYSA-N 1 0 348.371 -2.006 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]CCN2CCCC2=O)n1 ZINC001158337555 793356968 /nfs/dbraw/zinc/35/69/68/793356968.db2.gz RISDOGQRPMVPPI-UHFFFAOYSA-N 1 0 337.384 -1.905 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337573 793356605 /nfs/dbraw/zinc/35/66/05/793356605.db2.gz SAKNQRPQTANOLI-UHFFFAOYSA-N 1 0 339.400 -1.660 20 0 EAADRO CCn1nc(C)c(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001158337586 793357541 /nfs/dbraw/zinc/35/75/41/793357541.db2.gz SNMQZZIXMIGXJF-UHFFFAOYSA-N 1 0 349.399 -1.407 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337645 793357016 /nfs/dbraw/zinc/35/70/16/793357016.db2.gz TZAKDEBMRXJQLH-JTQLQIEISA-N 1 0 339.400 -1.612 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337646 793357003 /nfs/dbraw/zinc/35/70/03/793357003.db2.gz TZAKDEBMRXJQLH-SNVBAGLBSA-N 1 0 339.400 -1.612 20 0 EAADRO Cc1cnc(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)nc1 ZINC001158337655 793357727 /nfs/dbraw/zinc/35/77/27/793357727.db2.gz USXTXDIAPODARV-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]CCO[C@@H]2CC2(F)F)n1 ZINC001158337662 793357036 /nfs/dbraw/zinc/35/70/36/793357036.db2.gz UZNCQNYMFKKPOA-SECBINFHSA-N 1 0 346.338 -1.103 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]CCO[C@H]2CC2(F)F)n1 ZINC001158337663 793356800 /nfs/dbraw/zinc/35/68/00/793356800.db2.gz UZNCQNYMFKKPOA-VIFPVBQESA-N 1 0 346.338 -1.103 20 0 EAADRO Cn1nccc1CC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337667 793357940 /nfs/dbraw/zinc/35/79/40/793357940.db2.gz VDTCHZGHUFUZHD-UHFFFAOYSA-N 1 0 334.384 -1.551 20 0 EAADRO COc1cncc(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001158337677 793356647 /nfs/dbraw/zinc/35/66/47/793356647.db2.gz VOIMRNAYKPQDNU-UHFFFAOYSA-N 1 0 348.367 -1.528 20 0 EAADRO Cc1cnc(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)cn1 ZINC001158337691 793357441 /nfs/dbraw/zinc/35/74/41/793357441.db2.gz VXZFTPLCXBPUCV-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)nn1C ZINC001158337697 793356860 /nfs/dbraw/zinc/35/68/60/793356860.db2.gz WCGODSTZBYVTLO-UHFFFAOYSA-N 1 0 334.384 -1.285 20 0 EAADRO Cc1nnsc1C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337702 793357665 /nfs/dbraw/zinc/35/76/65/793357665.db2.gz WMNHHAANUVBUGG-UHFFFAOYSA-N 1 0 338.397 -1.167 20 0 EAADRO Cc1ncc(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)cn1 ZINC001158337735 793357806 /nfs/dbraw/zinc/35/78/06/793357806.db2.gz XTJOPWJEQOOPES-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337746 793357044 /nfs/dbraw/zinc/35/70/44/793357044.db2.gz YDCWENOARXDGAE-JTQLQIEISA-N 1 0 339.400 -1.612 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337747 793357062 /nfs/dbraw/zinc/35/70/62/793357062.db2.gz YDCWENOARXDGAE-SNVBAGLBSA-N 1 0 339.400 -1.612 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001158337768 793356963 /nfs/dbraw/zinc/35/69/63/793356963.db2.gz ZIEDOQZVLFUXIJ-MRVPVSSYSA-N 1 0 337.340 -2.722 20 0 EAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001158337769 793356692 /nfs/dbraw/zinc/35/66/92/793356692.db2.gz 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C[N@H+](CCN1C(=O)CNC1=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411144 793357641 /nfs/dbraw/zinc/35/76/41/793357641.db2.gz AKHRYIZKLRYWOB-SNVBAGLBSA-N 1 0 325.369 -1.664 20 0 EAADRO CC(=O)NCCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411230 787062558 /nfs/dbraw/zinc/06/25/58/787062558.db2.gz CPGZHIVJXAFHMZ-CYBMUJFWSA-N 1 0 328.413 -1.063 20 0 EAADRO C[N@H+](C[C@H](O)CN1CCCC1=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411748 793357381 /nfs/dbraw/zinc/35/73/81/793357381.db2.gz IBOYFUUYPDRKGZ-OLZOCXBDSA-N 1 0 340.424 -1.232 20 0 EAADRO COCCOC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158412466 793357690 /nfs/dbraw/zinc/35/76/90/793357690.db2.gz LIVZHLDEMWAMDH-CHWSQXEVSA-N 1 0 331.413 -1.192 20 0 EAADRO COCCOC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158412467 793357908 /nfs/dbraw/zinc/35/79/08/793357908.db2.gz LIVZHLDEMWAMDH-OLZOCXBDSA-N 1 0 331.413 -1.192 20 0 EAADRO C[N@H+](CCCN1C(=O)CNC1=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158413708 793359485 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793359864 /nfs/dbraw/zinc/35/98/64/793359864.db2.gz PCGBNJSKCWXXIT-GARJFASQSA-N 1 0 334.380 -1.253 20 0 EAADRO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001158433064 793358744 /nfs/dbraw/zinc/35/87/44/793358744.db2.gz WZRMWDFTHJNXRC-BMIGLBTASA-N 1 0 334.380 -1.252 20 0 EAADRO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001158433066 793359649 /nfs/dbraw/zinc/35/96/49/793359649.db2.gz WZRMWDFTHJNXRC-BONVTDFDSA-N 1 0 334.380 -1.252 20 0 EAADRO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001158433069 793358220 /nfs/dbraw/zinc/35/82/20/793358220.db2.gz WZRMWDFTHJNXRC-MEBBXXQBSA-N 1 0 334.380 -1.252 20 0 EAADRO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001158433072 793358318 /nfs/dbraw/zinc/35/83/18/793358318.db2.gz WZRMWDFTHJNXRC-ZUZCIYMTSA-N 1 0 334.380 -1.252 20 0 EAADRO CS(=O)(=O)c1nc2c(c(N[C@H](CO)C(N)=O)n1)CC[NH2+]CC2 ZINC001158437064 793358454 /nfs/dbraw/zinc/35/84/54/793358454.db2.gz NSVOVATWBDZAIU-SECBINFHSA-N 1 0 329.382 -2.174 20 0 EAADRO CS(=O)(=O)c1nc2c(c(N[C@@H](CO)C(N)=O)n1)CC[NH2+]CC2 ZINC001158437067 793358306 /nfs/dbraw/zinc/35/83/06/793358306.db2.gz NSVOVATWBDZAIU-VIFPVBQESA-N 1 0 329.382 -2.174 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@]12C[C@H]1COC2 ZINC001158463091 793358668 /nfs/dbraw/zinc/35/86/68/793358668.db2.gz OYJKDOOTMGPGNB-MKBNYLNASA-N 1 0 339.392 -1.371 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@]12C[C@H]1COC2 ZINC001158463092 793358642 /nfs/dbraw/zinc/35/86/42/793358642.db2.gz OYJKDOOTMGPGNB-OZVIIMIRSA-N 1 0 339.392 -1.371 20 0 EAADRO CN(CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001158467623 793358704 /nfs/dbraw/zinc/35/87/04/793358704.db2.gz IFQRMDBDOCLJSK-GRYCIOLGSA-N 1 0 326.397 -1.183 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1=O ZINC001158486271 793358589 /nfs/dbraw/zinc/35/85/89/793358589.db2.gz IULQJOLXVJEMGD-NEPJUHHUSA-N 1 0 338.412 -1.433 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1=O ZINC001158486272 793358364 /nfs/dbraw/zinc/35/83/64/793358364.db2.gz IULQJOLXVJEMGD-NWDGAFQWSA-N 1 0 338.412 -1.433 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1=O ZINC001158486273 793358104 /nfs/dbraw/zinc/35/81/04/793358104.db2.gz IULQJOLXVJEMGD-RYUDHWBXSA-N 1 0 338.412 -1.433 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1=O ZINC001158486274 793359449 /nfs/dbraw/zinc/35/94/49/793359449.db2.gz IULQJOLXVJEMGD-VXGBXAGGSA-N 1 0 338.412 -1.433 20 0 EAADRO CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001158486387 793359587 /nfs/dbraw/zinc/35/95/87/793359587.db2.gz ACZRTGJXJMODSA-MXWKQRLJSA-N 1 0 339.396 -1.384 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)[C@]23C[C@H]2COC3)cc(=O)n(C)c1=O ZINC001158492351 793359577 /nfs/dbraw/zinc/35/95/77/793359577.db2.gz DQZLEJSGGAGMHU-ZBEGNZNMSA-N 1 0 336.392 -1.284 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)N(C)C ZINC001158493263 793358071 /nfs/dbraw/zinc/35/80/71/793358071.db2.gz VMKMGTPILBAFME-MKBNYLNASA-N 1 0 340.424 -1.288 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)N(C)C ZINC001158493264 793359318 /nfs/dbraw/zinc/35/93/18/793359318.db2.gz VMKMGTPILBAFME-WQGACYEGSA-N 1 0 340.424 -1.288 20 0 EAADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC(C[NH+](C)C)C1 ZINC001158503424 793360690 /nfs/dbraw/zinc/36/06/90/793360690.db2.gz GFOMOMLRRBQUEP-UHFFFAOYSA-N 1 0 328.394 -1.125 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2nnn(C(C)(C)C)n2)nc1=O ZINC001158505644 793360162 /nfs/dbraw/zinc/36/01/62/793360162.db2.gz DQMUWKPUIPYVRT-UHFFFAOYSA-N 1 0 337.388 -1.240 20 0 EAADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1nnn2c1CNCC2 ZINC001158505909 793360103 /nfs/dbraw/zinc/36/01/03/793360103.db2.gz HYECYTFZLRFXKY-GARJFASQSA-N 1 0 334.380 -1.253 20 0 EAADRO CC(C)(C)n1nnc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001158506494 793361348 /nfs/dbraw/zinc/36/13/48/793361348.db2.gz JLZJXFRPNCGBAL-UHFFFAOYSA-N 1 0 326.361 -1.668 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001158507006 793360242 /nfs/dbraw/zinc/36/02/42/793360242.db2.gz NNKGBHRDJSYYAY-UHFFFAOYSA-N 1 0 340.388 -1.407 20 0 EAADRO CC(C)(C)n1nnc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001158507024 793360615 /nfs/dbraw/zinc/36/06/15/793360615.db2.gz OFEJLYLENQXSPX-UHFFFAOYSA-N 1 0 347.445 -1.313 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1nnn(C(C)(C)C)n1)C(=O)NC(N)=O ZINC001158507077 793361082 /nfs/dbraw/zinc/36/10/82/793361082.db2.gz PJWFSFSNJNJGHP-MRVPVSSYSA-N 1 0 340.388 -1.279 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1nnn(C(C)(C)C)n1)C(=O)NC(N)=O ZINC001158507078 793360043 /nfs/dbraw/zinc/36/00/43/793360043.db2.gz PJWFSFSNJNJGHP-QMMMGPOBSA-N 1 0 340.388 -1.279 20 0 EAADRO CC(C)(C)n1nnc(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001158515008 793360277 /nfs/dbraw/zinc/36/02/77/793360277.db2.gz WDWIEPZXOPQPLZ-SECBINFHSA-N 1 0 337.384 -1.057 20 0 EAADRO CC(C)(C)n1nnc(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001158515009 793360476 /nfs/dbraw/zinc/36/04/76/793360476.db2.gz WDWIEPZXOPQPLZ-VIFPVBQESA-N 1 0 337.384 -1.057 20 0 EAADRO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001158532322 793360146 /nfs/dbraw/zinc/36/01/46/793360146.db2.gz ATDDUMGFDUMDIJ-GXFFZTMASA-N 1 0 333.410 -1.239 20 0 EAADRO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001158532323 793360888 /nfs/dbraw/zinc/36/08/88/793360888.db2.gz ATDDUMGFDUMDIJ-MFKMUULPSA-N 1 0 333.410 -1.239 20 0 EAADRO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001158533383 793360053 /nfs/dbraw/zinc/36/00/53/793360053.db2.gz LAQCIQPCUPMRQY-BZKAFXDJSA-N 1 0 340.380 -1.752 20 0 EAADRO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001158533385 793361416 /nfs/dbraw/zinc/36/14/16/793361416.db2.gz LAQCIQPCUPMRQY-OFYUCFFLSA-N 1 0 340.380 -1.752 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCO ZINC001158539854 793360824 /nfs/dbraw/zinc/36/08/24/793360824.db2.gz DNYUBULERIDHRO-GFCCVEGCSA-N 1 0 336.458 -1.312 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCO)C1=O ZINC001158550367 793360896 /nfs/dbraw/zinc/36/08/96/793360896.db2.gz ZQQCXXZNTYNQKD-LLVKDONJSA-N 1 0 340.380 -1.288 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCO)C(N)=O ZINC001158554417 793360377 /nfs/dbraw/zinc/36/03/77/793360377.db2.gz JYJQLESUWFKJEG-OLZOCXBDSA-N 1 0 328.413 -1.328 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CCn1cncn1 ZINC001158565738 793361409 /nfs/dbraw/zinc/36/14/09/793361409.db2.gz AOXZWGHCAUJROO-LLVKDONJSA-N 1 0 332.430 -1.298 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CCn1cncn1 ZINC001158565739 793360535 /nfs/dbraw/zinc/36/05/35/793360535.db2.gz AOXZWGHCAUJROO-NSHDSACASA-N 1 0 332.430 -1.298 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001158565743 793361286 /nfs/dbraw/zinc/36/12/86/793361286.db2.gz ASTCDTPTXRATEN-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001158565744 793360314 /nfs/dbraw/zinc/36/03/14/793360314.db2.gz ASTCDTPTXRATEN-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001158565781 787131528 /nfs/dbraw/zinc/13/15/28/787131528.db2.gz BVUCFRQMIJGBCN-SECBINFHSA-N 1 0 333.418 -1.866 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001158565782 787131734 /nfs/dbraw/zinc/13/17/34/787131734.db2.gz BVUCFRQMIJGBCN-VIFPVBQESA-N 1 0 333.418 -1.866 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001158565787 793360438 /nfs/dbraw/zinc/36/04/38/793360438.db2.gz BZRPPMRTTJVIFY-NXEZZACHSA-N 1 0 347.445 -1.305 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001158565788 793361091 /nfs/dbraw/zinc/36/10/91/793361091.db2.gz BZRPPMRTTJVIFY-UWVGGRQHSA-N 1 0 347.445 -1.305 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001158565789 793360185 /nfs/dbraw/zinc/36/01/85/793360185.db2.gz BZRPPMRTTJVIFY-VHSXEESVSA-N 1 0 347.445 -1.305 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001158565790 793360290 /nfs/dbraw/zinc/36/02/90/793360290.db2.gz BZRPPMRTTJVIFY-ZJUUUORDSA-N 1 0 347.445 -1.305 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001158565833 793360661 /nfs/dbraw/zinc/36/06/61/793360661.db2.gz DKCNNDNGHIFQKK-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001158565834 793361354 /nfs/dbraw/zinc/36/13/54/793361354.db2.gz DKCNNDNGHIFQKK-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001158565844 793360413 /nfs/dbraw/zinc/36/04/13/793360413.db2.gz DQWIEHYYQHJHFT-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001158565845 793361277 /nfs/dbraw/zinc/36/12/77/793361277.db2.gz DQWIEHYYQHJHFT-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001158565846 793361143 /nfs/dbraw/zinc/36/11/43/793361143.db2.gz DQWIEHYYQHJHFT-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001158565847 793360504 /nfs/dbraw/zinc/36/05/04/793360504.db2.gz DQWIEHYYQHJHFT-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001158565904 793360710 /nfs/dbraw/zinc/36/07/10/793360710.db2.gz FZEBQFFNWKKVGB-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001158565905 793360543 /nfs/dbraw/zinc/36/05/43/793360543.db2.gz FZEBQFFNWKKVGB-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001158565913 793361431 /nfs/dbraw/zinc/36/14/31/793361431.db2.gz GGJZEPSVRQSGDD-LLVKDONJSA-N 1 0 349.457 -1.565 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001158565914 793360656 /nfs/dbraw/zinc/36/06/56/793360656.db2.gz GGJZEPSVRQSGDD-NSHDSACASA-N 1 0 349.457 -1.565 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001158565919 787131750 /nfs/dbraw/zinc/13/17/50/787131750.db2.gz GKTDUQISJXJMSR-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001158565920 787131003 /nfs/dbraw/zinc/13/10/03/787131003.db2.gz GKTDUQISJXJMSR-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001158565961 793360527 /nfs/dbraw/zinc/36/05/27/793360527.db2.gz HVAXVUCHEAZDQU-MRVPVSSYSA-N 1 0 337.402 -2.395 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001158565962 793361216 /nfs/dbraw/zinc/36/12/16/793361216.db2.gz HVAXVUCHEAZDQU-QMMMGPOBSA-N 1 0 337.402 -2.395 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001158566039 793360307 /nfs/dbraw/zinc/36/03/07/793360307.db2.gz KEELKYMWQUMFMB-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001158566040 793361137 /nfs/dbraw/zinc/36/11/37/793361137.db2.gz KEELKYMWQUMFMB-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CCOCCO ZINC001158566089 793360325 /nfs/dbraw/zinc/36/03/25/793360325.db2.gz LNSKRYOPUWPYHL-LLVKDONJSA-N 1 0 325.431 -1.581 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CCOCCO ZINC001158566090 787130808 /nfs/dbraw/zinc/13/08/08/787130808.db2.gz LNSKRYOPUWPYHL-NSHDSACASA-N 1 0 325.431 -1.581 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001158566425 793360202 /nfs/dbraw/zinc/36/02/02/793360202.db2.gz PFYPCYVVKPLNLN-NXEZZACHSA-N 1 0 348.425 -1.785 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001158566426 793360431 /nfs/dbraw/zinc/36/04/31/793360431.db2.gz PFYPCYVVKPLNLN-UWVGGRQHSA-N 1 0 348.425 -1.785 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001158566427 793360253 /nfs/dbraw/zinc/36/02/53/793360253.db2.gz PFYPCYVVKPLNLN-VHSXEESVSA-N 1 0 348.425 -1.785 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001158566428 793361308 /nfs/dbraw/zinc/36/13/08/793361308.db2.gz PFYPCYVVKPLNLN-ZJUUUORDSA-N 1 0 348.425 -1.785 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001158566443 793360445 /nfs/dbraw/zinc/36/04/45/793360445.db2.gz PMNDYJKVVUXBPY-JTQLQIEISA-N 1 0 332.430 -1.261 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001158566446 793361331 /nfs/dbraw/zinc/36/13/31/793361331.db2.gz PMNDYJKVVUXBPY-SNVBAGLBSA-N 1 0 332.430 -1.261 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001158566578 793361107 /nfs/dbraw/zinc/36/11/07/793361107.db2.gz RMDVXMJIRIXOEL-JTQLQIEISA-N 1 0 332.430 -1.261 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001158566580 793360225 /nfs/dbraw/zinc/36/02/25/793360225.db2.gz RMDVXMJIRIXOEL-SNVBAGLBSA-N 1 0 332.430 -1.261 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001158566736 793361150 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328.369 -1.961 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001158638779 793363549 /nfs/dbraw/zinc/36/35/49/793363549.db2.gz RZQHLQPFELWCTP-LLVKDONJSA-N 1 0 328.413 -1.240 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001158638780 793363868 /nfs/dbraw/zinc/36/38/68/793363868.db2.gz RZQHLQPFELWCTP-NSHDSACASA-N 1 0 328.413 -1.240 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001158638820 793363294 /nfs/dbraw/zinc/36/32/94/793363294.db2.gz SOIMAANUDLEXEQ-NEPJUHHUSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001158638821 793363788 /nfs/dbraw/zinc/36/37/88/793363788.db2.gz SOIMAANUDLEXEQ-NWDGAFQWSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001158638822 793362884 /nfs/dbraw/zinc/36/28/84/793362884.db2.gz SOIMAANUDLEXEQ-RYUDHWBXSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001158638823 793363121 /nfs/dbraw/zinc/36/31/21/793363121.db2.gz SOIMAANUDLEXEQ-VXGBXAGGSA-N 1 0 349.453 -1.332 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001158638824 793363303 /nfs/dbraw/zinc/36/33/03/793363303.db2.gz SOUPWLDELXFZMY-NXEZZACHSA-N 1 0 327.389 -1.482 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001158638825 793362985 /nfs/dbraw/zinc/36/29/85/793362985.db2.gz SOUPWLDELXFZMY-UWVGGRQHSA-N 1 0 327.389 -1.482 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001158639118 793363714 /nfs/dbraw/zinc/36/37/14/793363714.db2.gz SOUPWLDELXFZMY-VHSXEESVSA-N 1 0 327.389 -1.482 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001158639119 793363277 /nfs/dbraw/zinc/36/32/77/793363277.db2.gz SOUPWLDELXFZMY-ZJUUUORDSA-N 1 0 327.389 -1.482 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158639132 793363233 /nfs/dbraw/zinc/36/32/33/793363233.db2.gz SUZBKDQIYHPDMK-GFCCVEGCSA-N 1 0 346.428 -1.614 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158639133 793362948 /nfs/dbraw/zinc/36/29/48/793362948.db2.gz SUZBKDQIYHPDMK-LBPRGKRZSA-N 1 0 346.428 -1.614 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158639148 793363049 /nfs/dbraw/zinc/36/30/49/793363049.db2.gz TWZFUIWGNLKKDD-SECBINFHSA-N 1 0 331.373 -2.311 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158639149 793363830 /nfs/dbraw/zinc/36/38/30/793363830.db2.gz TWZFUIWGNLKKDD-VIFPVBQESA-N 1 0 331.373 -2.311 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001158639429 793363137 /nfs/dbraw/zinc/36/31/37/793363137.db2.gz WABWOXKTTONHCO-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001158639430 793363397 /nfs/dbraw/zinc/36/33/97/793363397.db2.gz WABWOXKTTONHCO-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001158639590 793363215 /nfs/dbraw/zinc/36/32/15/793363215.db2.gz 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COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001158642761 793363885 /nfs/dbraw/zinc/36/38/85/793363885.db2.gz OOXXAYNLOLEYFM-TVQRCGJNSA-N 1 0 341.393 -1.145 20 0 EAADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001158642762 793363878 /nfs/dbraw/zinc/36/38/78/793363878.db2.gz OOXXAYNLOLEYFM-ZANVPECISA-N 1 0 341.393 -1.145 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccoc1 ZINC001158644832 793363902 /nfs/dbraw/zinc/36/39/02/793363902.db2.gz DQIUUMIGERBSTH-UHFFFAOYSA-N 1 0 339.352 -1.439 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)CNC(=O)c2ccoc2)nc1=O ZINC001158645103 793363000 /nfs/dbraw/zinc/36/30/00/793363000.db2.gz IVWUWAYDUBIGHS-UHFFFAOYSA-N 1 0 336.352 -1.273 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001158645662 793363099 /nfs/dbraw/zinc/36/30/99/793363099.db2.gz QVOAWKGDVXMLJT-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001158645667 793363064 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O=C(CNC(=O)c1ccoc1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001158645852 793363925 /nfs/dbraw/zinc/36/39/25/793363925.db2.gz VIHAFDCKQIMXET-NSHDSACASA-N 1 0 336.348 -1.090 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccoc1 ZINC001158646374 793363261 /nfs/dbraw/zinc/36/32/61/793363261.db2.gz YFNCVWKUWVLSOH-UHFFFAOYSA-N 1 0 325.325 -1.700 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CNC(=O)c1ccoc1)C(=O)NC(N)=O ZINC001158655038 793363895 /nfs/dbraw/zinc/36/38/95/793363895.db2.gz RUWZRYJLJGSYEY-SECBINFHSA-N 1 0 339.352 -1.311 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CNC(=O)c1ccoc1)C(=O)NC(N)=O ZINC001158655040 793363848 /nfs/dbraw/zinc/36/38/48/793363848.db2.gz RUWZRYJLJGSYEY-VIFPVBQESA-N 1 0 339.352 -1.311 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CNC(=O)c1ccoc1 ZINC001158655052 793363532 /nfs/dbraw/zinc/36/35/32/793363532.db2.gz SBZCUYOHCWFTLT-UHFFFAOYSA-N 1 0 346.409 -1.346 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001158663533 793363353 /nfs/dbraw/zinc/36/33/53/793363353.db2.gz LTKNCOVUCKSSFL-NXEZZACHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001158663534 793363936 /nfs/dbraw/zinc/36/39/36/793363936.db2.gz LTKNCOVUCKSSFL-UWVGGRQHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001158663535 793363156 /nfs/dbraw/zinc/36/31/56/793363156.db2.gz LTKNCOVUCKSSFL-VHSXEESVSA-N 1 0 329.401 -1.159 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001158663536 793363737 /nfs/dbraw/zinc/36/37/37/793363737.db2.gz LTKNCOVUCKSSFL-ZJUUUORDSA-N 1 0 329.401 -1.159 20 0 EAADRO C[C@H](NC(=O)C1CCCC1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001158672245 793363478 /nfs/dbraw/zinc/36/34/78/793363478.db2.gz OCVRADDEUGAOAF-JTQLQIEISA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](NC(=O)C1CCCC1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001158672246 793363384 /nfs/dbraw/zinc/36/33/84/793363384.db2.gz OCVRADDEUGAOAF-SNVBAGLBSA-N 1 0 341.412 -1.028 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC(=O)CC1 ZINC001158672292 793363433 /nfs/dbraw/zinc/36/34/33/793363433.db2.gz POLIOBFNSWILKJ-UHFFFAOYSA-N 1 0 341.368 -3.125 20 0 EAADRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001158672419 793363910 /nfs/dbraw/zinc/36/39/10/793363910.db2.gz PYXXYWJRFYKOFY-SECBINFHSA-N 1 0 339.352 -1.311 20 0 EAADRO C[C@H](NC(=O)c1ccoc1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001158672420 793363207 /nfs/dbraw/zinc/36/32/07/793363207.db2.gz PYXXYWJRFYKOFY-VIFPVBQESA-N 1 0 339.352 -1.311 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158683500 793363836 /nfs/dbraw/zinc/36/38/36/793363836.db2.gz PFABBTDWVHWHLV-NXEZZACHSA-N 1 0 345.400 -1.923 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158683506 793362920 /nfs/dbraw/zinc/36/29/20/793362920.db2.gz PFABBTDWVHWHLV-UWVGGRQHSA-N 1 0 345.400 -1.923 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158683507 793363678 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EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001158684011 793363564 /nfs/dbraw/zinc/36/35/64/793363564.db2.gz SLHMWKHCPZNLON-CHWSQXEVSA-N 1 0 341.412 -1.509 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001158684017 793362900 /nfs/dbraw/zinc/36/29/00/793362900.db2.gz SLHMWKHCPZNLON-OLZOCXBDSA-N 1 0 341.412 -1.509 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001158684018 793363687 /nfs/dbraw/zinc/36/36/87/793363687.db2.gz SLHMWKHCPZNLON-QWHCGFSZSA-N 1 0 341.412 -1.509 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001158684020 793363623 /nfs/dbraw/zinc/36/36/23/793363623.db2.gz SLHMWKHCPZNLON-STQMWFEESA-N 1 0 341.412 -1.509 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001158684344 793363603 /nfs/dbraw/zinc/36/36/03/793363603.db2.gz VEWYKRVVNISVDE-BDAKNGLRSA-N 1 0 331.373 -2.183 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001158684345 793363112 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COCC(=O)N[C@H](C)C(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001158685044 793363370 /nfs/dbraw/zinc/36/33/70/793363370.db2.gz ZVPMQGXUUHBHQM-SNVBAGLBSA-N 1 0 341.368 -1.140 20 0 EAADRO CCC(=O)N1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001158698598 793363516 /nfs/dbraw/zinc/36/35/16/793363516.db2.gz RYVXVPKLBJDQBG-LLVKDONJSA-N 1 0 341.412 -1.074 20 0 EAADRO CCC(=O)N1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001158698599 793363224 /nfs/dbraw/zinc/36/32/24/793363224.db2.gz RYVXVPKLBJDQBG-NSHDSACASA-N 1 0 341.412 -1.074 20 0 EAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001158712263 793363179 /nfs/dbraw/zinc/36/31/79/793363179.db2.gz BGJSSQDPDIHORJ-VHSXEESVSA-N 1 0 330.366 -1.322 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001158733352 793364286 /nfs/dbraw/zinc/36/42/86/793364286.db2.gz CNXCACMRKLDSMJ-UHFFFAOYSA-N 1 0 336.404 -1.210 20 0 EAADRO CC(C)(C)n1nnc(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001158733486 793364617 /nfs/dbraw/zinc/36/46/17/793364617.db2.gz GEDNOGDZWDMNNE-UHFFFAOYSA-N 1 0 340.388 -1.739 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1COCN1 ZINC001158734493 793365054 /nfs/dbraw/zinc/36/50/54/793365054.db2.gz AHPNIWCKSCOHTG-JTQLQIEISA-N 1 0 330.366 -1.446 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CNC(=O)N1 ZINC001158734569 793365424 /nfs/dbraw/zinc/36/54/24/793365424.db2.gz CUEPLFFOORHPLZ-QMMMGPOBSA-N 1 0 343.365 -1.710 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1COCCN1 ZINC001158735156 793364885 /nfs/dbraw/zinc/36/48/85/793364885.db2.gz PIMRFMVQEKIDBF-NSHDSACASA-N 1 0 344.393 -1.403 20 0 EAADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)C[C@H](O)C[NH3+])CC2 ZINC001158746672 793364547 /nfs/dbraw/zinc/36/45/47/793364547.db2.gz GSTHSWIXZWUPOO-JTQLQIEISA-N 1 0 340.380 -1.126 20 0 EAADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)C[C@@H](O)C[NH3+])CC2 ZINC001158746673 793364044 /nfs/dbraw/zinc/36/40/44/793364044.db2.gz GSTHSWIXZWUPOO-SNVBAGLBSA-N 1 0 340.380 -1.126 20 0 EAADRO 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EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001158810426 793366239 /nfs/dbraw/zinc/36/62/39/793366239.db2.gz GJKCHRJYOXQJCA-YNEHKIRRSA-N 1 0 341.408 -1.521 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001158810559 793366115 /nfs/dbraw/zinc/36/61/15/793366115.db2.gz HFPOUQLQFJXBHR-AVGNSLFASA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001158810560 793367014 /nfs/dbraw/zinc/36/70/14/793367014.db2.gz HFPOUQLQFJXBHR-FRRDWIJNSA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001158810561 793366402 /nfs/dbraw/zinc/36/64/02/793366402.db2.gz HFPOUQLQFJXBHR-JHJVBQTASA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001158810562 793366229 /nfs/dbraw/zinc/36/62/29/793366229.db2.gz HFPOUQLQFJXBHR-XQQFMLRXSA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001158810608 793366302 /nfs/dbraw/zinc/36/63/02/793366302.db2.gz IXRMGJBWTGAKGT-NEPJUHHUSA-N 1 0 328.413 -1.425 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001158810609 793366183 /nfs/dbraw/zinc/36/61/83/793366183.db2.gz IXRMGJBWTGAKGT-RYUDHWBXSA-N 1 0 328.413 -1.425 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001158811097 793365901 /nfs/dbraw/zinc/36/59/01/793365901.db2.gz PMEQTIOEYWPRCY-BLLLJJGKSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001158811098 793366318 /nfs/dbraw/zinc/36/63/18/793366318.db2.gz PMEQTIOEYWPRCY-LRDDRELGSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001158811099 793365759 /nfs/dbraw/zinc/36/57/59/793365759.db2.gz PMEQTIOEYWPRCY-MLGOLLRUSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001158811100 793366422 /nfs/dbraw/zinc/36/64/22/793366422.db2.gz PMEQTIOEYWPRCY-WBMJQRKESA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001158811136 793366372 /nfs/dbraw/zinc/36/63/72/793366372.db2.gz QRBGFQRZIGRBSC-CHWSQXEVSA-N 1 0 340.424 -1.540 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001158811137 793365917 /nfs/dbraw/zinc/36/59/17/793365917.db2.gz QRBGFQRZIGRBSC-OLZOCXBDSA-N 1 0 340.424 -1.540 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001158811138 793365936 /nfs/dbraw/zinc/36/59/36/793365936.db2.gz QRBGFQRZIGRBSC-QWHCGFSZSA-N 1 0 340.424 -1.540 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001158811139 793366764 /nfs/dbraw/zinc/36/67/64/793366764.db2.gz QRBGFQRZIGRBSC-STQMWFEESA-N 1 0 340.424 -1.540 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CNCC[NH3+])CC2 ZINC001158813674 793366734 /nfs/dbraw/zinc/36/67/34/793366734.db2.gz DSVXHROTVBKNFU-GFCCVEGCSA-N 1 0 328.413 -1.553 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CNCC[NH3+])CC2 ZINC001158813675 793366198 /nfs/dbraw/zinc/36/61/98/793366198.db2.gz DSVXHROTVBKNFU-LBPRGKRZSA-N 1 0 328.413 -1.553 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001158813878 793366656 /nfs/dbraw/zinc/36/66/56/793366656.db2.gz IASKNCRRLHXERB-AVGNSLFASA-N 1 0 340.424 -1.412 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001158813879 793365732 /nfs/dbraw/zinc/36/57/32/793365732.db2.gz IASKNCRRLHXERB-XQQFMLRXSA-N 1 0 340.424 -1.412 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001158813886 793367025 /nfs/dbraw/zinc/36/70/25/793367025.db2.gz IDLJDUFENCFTCT-BZPMIXESSA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001158813887 793366003 /nfs/dbraw/zinc/36/60/03/793366003.db2.gz IDLJDUFENCFTCT-DYEKYZERSA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001158813888 793366742 /nfs/dbraw/zinc/36/67/42/793366742.db2.gz IDLJDUFENCFTCT-OBJOEFQTSA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001158813889 793366480 /nfs/dbraw/zinc/36/64/80/793366480.db2.gz IDLJDUFENCFTCT-SCRDCRAPSA-N 1 0 341.408 -1.378 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001158813893 793366343 /nfs/dbraw/zinc/36/63/43/793366343.db2.gz IFPNWKCHDMCGMO-AGIUHOORSA-N 1 0 340.424 -1.554 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001158813894 793365819 /nfs/dbraw/zinc/36/58/19/793365819.db2.gz IFPNWKCHDMCGMO-AVGNSLFASA-N 1 0 340.424 -1.554 20 0 EAADRO N[C@@H](C[NH3+])C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158815400 793366130 /nfs/dbraw/zinc/36/61/30/793366130.db2.gz ZLWADJXJSDAMOI-LJISPDSOSA-N 1 0 347.419 -1.153 20 0 EAADRO N[C@@]1(C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CC[NH2+]C1 ZINC001158821203 793366972 /nfs/dbraw/zinc/36/69/72/793366972.db2.gz CMOSIILNTXNFMY-HNNXBMFYSA-N 1 0 335.412 -1.857 20 0 EAADRO N[C@]1(C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CC[NH2+]C1 ZINC001158821204 793366859 /nfs/dbraw/zinc/36/68/59/793366859.db2.gz CMOSIILNTXNFMY-OAHLLOKOSA-N 1 0 335.412 -1.857 20 0 EAADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821212 793366642 /nfs/dbraw/zinc/36/66/42/793366642.db2.gz CUNYGDGLPVKHAV-JYAVWHMHSA-N 1 0 332.408 -1.082 20 0 EAADRO O=C([C@H]1C[NH2+]CCN1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821277 793366359 /nfs/dbraw/zinc/36/63/59/793366359.db2.gz GNBBQSYYKMAZKY-GFCCVEGCSA-N 1 0 335.412 -1.986 20 0 EAADRO O=C([C@@H]1C[NH2+]CCN1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821278 793366818 /nfs/dbraw/zinc/36/68/18/793366818.db2.gz GNBBQSYYKMAZKY-LBPRGKRZSA-N 1 0 335.412 -1.986 20 0 EAADRO [NH3+][C@H]1CN[C@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001158821401 793366541 /nfs/dbraw/zinc/36/65/41/793366541.db2.gz KPABWTOWWQDCJD-NEPJUHHUSA-N 1 0 335.412 -1.858 20 0 EAADRO [NH3+][C@@H]1CN[C@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001158821402 793366036 /nfs/dbraw/zinc/36/60/36/793366036.db2.gz KPABWTOWWQDCJD-RYUDHWBXSA-N 1 0 335.412 -1.858 20 0 EAADRO NC1(C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CC[NH2+]CC1 ZINC001158821975 793365883 /nfs/dbraw/zinc/36/58/83/793365883.db2.gz REHOXCVYGDVNAY-UHFFFAOYSA-N 1 0 349.439 -1.467 20 0 EAADRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822406 793366394 /nfs/dbraw/zinc/36/63/94/793366394.db2.gz WNFKBKGPWWRMKE-RYUDHWBXSA-N 1 0 336.396 -1.825 20 0 EAADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822407 793366473 /nfs/dbraw/zinc/36/64/73/793366473.db2.gz WNFKBKGPWWRMKE-VXGBXAGGSA-N 1 0 336.396 -1.825 20 0 EAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822422 793366593 /nfs/dbraw/zinc/36/65/93/793366593.db2.gz XCKLPSKTMCREMS-RYUDHWBXSA-N 1 0 335.412 -2.001 20 0 EAADRO N[C@@]1(C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CCC[NH2+]C1 ZINC001158822738 793366150 /nfs/dbraw/zinc/36/61/50/793366150.db2.gz ZIENIOKZADJSAO-INIZCTEOSA-N 1 0 349.439 -1.467 20 0 EAADRO N[C@]1(C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CCC[NH2+]C1 ZINC001158822741 793366650 /nfs/dbraw/zinc/36/66/50/793366650.db2.gz ZIENIOKZADJSAO-MRXNPFEDSA-N 1 0 349.439 -1.467 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822761 793365543 /nfs/dbraw/zinc/36/55/43/793365543.db2.gz ZOEAKWZGIYDGJM-NEPJUHHUSA-N 1 0 336.396 -1.967 20 0 EAADRO O=C([C@H]1C[NH2+]C[C@H]1O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822764 793366533 /nfs/dbraw/zinc/36/65/33/793366533.db2.gz ZOEAKWZGIYDGJM-NWDGAFQWSA-N 1 0 336.396 -1.967 20 0 EAADRO O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822765 793366098 /nfs/dbraw/zinc/36/60/98/793366098.db2.gz ZOEAKWZGIYDGJM-RYUDHWBXSA-N 1 0 336.396 -1.967 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822766 793367007 /nfs/dbraw/zinc/36/70/07/793367007.db2.gz ZOEAKWZGIYDGJM-VXGBXAGGSA-N 1 0 336.396 -1.967 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158832503 793366412 /nfs/dbraw/zinc/36/64/12/793366412.db2.gz IJYLNDFKGQGASU-FZMZJTMJSA-N 1 0 336.396 -1.825 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@H]1O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158832504 793365945 /nfs/dbraw/zinc/36/59/45/793365945.db2.gz IJYLNDFKGQGASU-RISCZKNCSA-N 1 0 336.396 -1.825 20 0 EAADRO Cn1ccc(-c2cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)no2)n1 ZINC001158839302 793368467 /nfs/dbraw/zinc/36/84/67/793368467.db2.gz KFXOQBQUNZDHMS-UHFFFAOYSA-N 1 0 349.351 -1.021 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cccn3nnnc23)nc1=O ZINC001158849748 793367977 /nfs/dbraw/zinc/36/79/77/793367977.db2.gz BQJGUIBMLLDMCU-UHFFFAOYSA-N 1 0 331.340 -1.544 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)c1cccn2nnnc12 ZINC001158850017 793368084 /nfs/dbraw/zinc/36/80/84/793368084.db2.gz LOKVAMKSBNSACF-UHFFFAOYSA-N 1 0 349.395 -1.014 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)c1cccn2nnnc12 ZINC001158850020 793368229 /nfs/dbraw/zinc/36/82/29/793368229.db2.gz 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COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158916089 793367431 /nfs/dbraw/zinc/36/74/31/793367431.db2.gz LAOWWELUORMEQB-UHFFFAOYSA-N 1 0 347.441 -1.175 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158916126 793367285 /nfs/dbraw/zinc/36/72/85/793367285.db2.gz MRHGVCARLHECGG-JTQLQIEISA-N 1 0 325.373 -1.392 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158916127 793367165 /nfs/dbraw/zinc/36/71/65/793367165.db2.gz MRHGVCARLHECGG-SNVBAGLBSA-N 1 0 325.373 -1.392 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158916422 793367792 /nfs/dbraw/zinc/36/77/92/793367792.db2.gz QJYDTEZWPCHWDK-UHFFFAOYSA-N 1 0 348.411 -1.234 20 0 EAADRO O=C(Cn1nccn1)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001158916684 793367801 /nfs/dbraw/zinc/36/78/01/793367801.db2.gz RMNBLWUSZDOQBN-CYBMUJFWSA-N 1 0 341.412 -1.070 20 0 EAADRO O=C(Cn1nccn1)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001158916686 793368138 /nfs/dbraw/zinc/36/81/38/793368138.db2.gz 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/nfs/dbraw/zinc/36/76/51/793367651.db2.gz NKMNBAROXCVVRQ-UHFFFAOYSA-N 1 0 330.352 -1.090 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158921772 793368328 /nfs/dbraw/zinc/36/83/28/793368328.db2.gz NNHLYVTUEAJYAH-UHFFFAOYSA-N 1 0 332.430 -1.297 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158922109 793368379 /nfs/dbraw/zinc/36/83/79/793368379.db2.gz QOLOKSJONTXWRN-UHFFFAOYSA-N 1 0 325.373 -1.390 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cn2nccn2)n(C)c1=O ZINC001158922546 793368282 /nfs/dbraw/zinc/36/82/82/793368282.db2.gz WKYHEXXVQGCQID-UHFFFAOYSA-N 1 0 335.368 -2.028 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)Cn2nccn2)C1=O ZINC001158922575 793367201 /nfs/dbraw/zinc/36/72/01/793367201.db2.gz XJDCTULWUIMUJJ-UHFFFAOYSA-N 1 0 337.384 -1.296 20 0 EAADRO O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967635 793367677 /nfs/dbraw/zinc/36/76/77/793367677.db2.gz CHVYSJDWCQFMHZ-MCIONIFRSA-N 1 0 344.419 -1.298 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967642 793367931 /nfs/dbraw/zinc/36/79/31/793367931.db2.gz CHVYSJDWCQFMHZ-MJBXVCDLSA-N 1 0 344.419 -1.298 20 0 EAADRO N[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CCC[NH2+]C1 ZINC001158967846 793367276 /nfs/dbraw/zinc/36/72/76/793367276.db2.gz GQWDXYRBMIQUNK-DVOMOZLQSA-N 1 0 332.408 -1.027 20 0 EAADRO N[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CCC[NH2+]C1 ZINC001158967847 793367769 /nfs/dbraw/zinc/36/77/69/793367769.db2.gz GQWDXYRBMIQUNK-WWGRRREGSA-N 1 0 332.408 -1.027 20 0 EAADRO COC(=O)[C@@H](N)CC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967876 793368532 /nfs/dbraw/zinc/36/85/32/793368532.db2.gz HTGLFBCTMWCGGE-TUAOUCFPSA-N 1 0 335.364 -1.217 20 0 EAADRO O=C(CN1CC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968366 793369596 /nfs/dbraw/zinc/36/95/96/793369596.db2.gz PSVWNWIRUCRCQP-KGLIPLIRSA-N 1 0 332.408 -1.202 20 0 EAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968471 793368678 /nfs/dbraw/zinc/36/86/78/793368678.db2.gz QZSRWUFWWINOOV-XQQFMLRXSA-N 1 0 335.364 -1.217 20 0 EAADRO O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158968513 793368979 /nfs/dbraw/zinc/36/89/79/793368979.db2.gz RIUGYLIRQOETLW-LOUJCGABSA-N 1 0 344.419 -1.156 20 0 EAADRO O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158968515 793369007 /nfs/dbraw/zinc/36/90/07/793369007.db2.gz RIUGYLIRQOETLW-QDEZUTFSSA-N 1 0 344.419 -1.156 20 0 EAADRO O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158968517 793368859 /nfs/dbraw/zinc/36/88/59/793368859.db2.gz RIUGYLIRQOETLW-VWPFQQQWSA-N 1 0 344.419 -1.156 20 0 EAADRO O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158968519 793369373 /nfs/dbraw/zinc/36/93/73/793369373.db2.gz RIUGYLIRQOETLW-WVZRYYJFSA-N 1 0 344.419 -1.156 20 0 EAADRO CCN(C)c1cc(C)[nH+]c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1 ZINC001158969968 793369411 /nfs/dbraw/zinc/36/94/11/793369411.db2.gz LQKKKFGAKMRHDD-JOLIMNQDSA-N 1 0 328.369 -1.547 20 0 EAADRO CCN(C)c1cc(C)[nH+]c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)n1 ZINC001158969970 793369284 /nfs/dbraw/zinc/36/92/84/793369284.db2.gz LQKKKFGAKMRHDD-WECGXBHGSA-N 1 0 328.369 -1.547 20 0 EAADRO Cc1cc(N2CCCC2)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[nH+]1 ZINC001158970458 793369642 /nfs/dbraw/zinc/36/96/42/793369642.db2.gz WZWBHIDKYSWMPE-DKTYCGPESA-N 1 0 340.380 -1.403 20 0 EAADRO Cc1cc(N2CCCC2)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[nH+]1 ZINC001158970459 793368946 /nfs/dbraw/zinc/36/89/46/793368946.db2.gz WZWBHIDKYSWMPE-FZGMBXNASA-N 1 0 340.380 -1.403 20 0 EAADRO Cc1nc(N2CCCC2)cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[nH+]1 ZINC001158975156 793370023 /nfs/dbraw/zinc/37/00/23/793370023.db2.gz QPFSNEXNRQKPOI-WMESBKTJSA-N 1 0 340.380 -1.403 20 0 EAADRO Cc1nc(N2CCCC2)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[nH+]1 ZINC001158975157 793369814 /nfs/dbraw/zinc/36/98/14/793369814.db2.gz QPFSNEXNRQKPOI-YGARTUKASA-N 1 0 340.380 -1.403 20 0 EAADRO OC[C@H]1O[C@@H](O)[C@H](Nc2cc(N3CCCC3)cc[nH+]2)[C@@H](O)[C@@H]1O ZINC001158977513 793371631 /nfs/dbraw/zinc/37/16/31/793371631.db2.gz FJRNGUZKKXCPJH-DIAXPKBXSA-N 1 0 325.365 -1.106 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H](Nc2cc(N3CCCC3)cc[nH+]2)[C@@H](O)[C@@H]1O ZINC001158977514 793370894 /nfs/dbraw/zinc/37/08/94/793370894.db2.gz FJRNGUZKKXCPJH-GZENYHORSA-N 1 0 325.365 -1.106 20 0 EAADRO C[N@H+](Cc1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nc1)C1CC1 ZINC001158977706 793370910 /nfs/dbraw/zinc/37/09/10/793370910.db2.gz IGPIKORFVOPJRS-BTAUDXDXSA-N 1 0 339.392 -1.112 20 0 EAADRO C[N@H+](Cc1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1)C1CC1 ZINC001158977707 793371012 /nfs/dbraw/zinc/37/10/12/793371012.db2.gz IGPIKORFVOPJRS-JPIRQXTESA-N 1 0 339.392 -1.112 20 0 EAADRO OC[C@H]1O[C@@H](O)[C@H](Nc2cccc(N3CCOCC3)[nH+]2)[C@@H](O)[C@@H]1O ZINC001158978545 793372566 /nfs/dbraw/zinc/37/25/66/793372566.db2.gz RKMXAABSDIPVFK-WMESBKTJSA-N 1 0 341.364 -1.870 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H](Nc2cccc(N3CCOCC3)[nH+]2)[C@@H](O)[C@@H]1O ZINC001158978547 793372408 /nfs/dbraw/zinc/37/24/08/793372408.db2.gz RKMXAABSDIPVFK-YGARTUKASA-N 1 0 341.364 -1.870 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H](Nc2ncccc2C[NH+]2CCCC2)[C@@H](O)[C@@H]1O ZINC001158979642 793372396 /nfs/dbraw/zinc/37/23/96/793372396.db2.gz CKXMRGRTQNYHEY-PAURTPPISA-N 1 0 339.392 -1.111 20 0 EAADRO OC[C@H]1O[C@@H](O)[C@H](Nc2ncccc2C[NH+]2CCCC2)[C@@H](O)[C@@H]1O ZINC001158979644 793372307 /nfs/dbraw/zinc/37/23/07/793372307.db2.gz CKXMRGRTQNYHEY-UTGUJQJDSA-N 1 0 339.392 -1.111 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H](Nc2ccc(C[NH+]3CCCC3)cn2)[C@@H](O)[C@@H]1O ZINC001158979706 793372253 /nfs/dbraw/zinc/37/22/53/793372253.db2.gz ZPKCNMZIUCCDHS-BTAUDXDXSA-N 1 0 339.392 -1.111 20 0 EAADRO OC[C@H]1O[C@@H](O)[C@H](Nc2ccc(C[NH+]3CCCC3)cn2)[C@@H](O)[C@@H]1O ZINC001158979708 793372761 /nfs/dbraw/zinc/37/27/61/793372761.db2.gz ZPKCNMZIUCCDHS-JPIRQXTESA-N 1 0 339.392 -1.111 20 0 EAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001158991107 793374013 /nfs/dbraw/zinc/37/40/13/793374013.db2.gz IGVYMQCZVPYXLM-AAEUAGOBSA-N 1 0 339.396 -1.686 20 0 EAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001158991108 793373485 /nfs/dbraw/zinc/37/34/85/793373485.db2.gz IGVYMQCZVPYXLM-DGCLKSJQSA-N 1 0 339.396 -1.686 20 0 EAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001158991109 793373359 /nfs/dbraw/zinc/37/33/59/793373359.db2.gz IGVYMQCZVPYXLM-WCQYABFASA-N 1 0 339.396 -1.686 20 0 EAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001158991110 793374122 /nfs/dbraw/zinc/37/41/22/793374122.db2.gz IGVYMQCZVPYXLM-YPMHNXCESA-N 1 0 339.396 -1.686 20 0 EAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CNCC[NH3+])C1 ZINC001158991987 793373644 /nfs/dbraw/zinc/37/36/44/793373644.db2.gz SJDQTLFQAWRWTJ-GFCCVEGCSA-N 1 0 338.412 -1.848 20 0 EAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CNCC[NH3+])C1 ZINC001158991988 793373452 /nfs/dbraw/zinc/37/34/52/793373452.db2.gz SJDQTLFQAWRWTJ-LBPRGKRZSA-N 1 0 338.412 -1.848 20 0 EAADRO COc1cc(CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)on1 ZINC001158996225 793373337 /nfs/dbraw/zinc/37/33/37/793373337.db2.gz OWOAITVUTNPGFI-UHFFFAOYSA-N 1 0 327.341 -1.093 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnc2cc[nH]cc-2c1=O ZINC001159015084 793373616 /nfs/dbraw/zinc/37/36/16/793373616.db2.gz SVJGQSHWRPMAJW-UHFFFAOYSA-N 1 0 346.347 -1.173 20 0 EAADRO COC[C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)Cc2cn(C)nc21 ZINC001159019008 793373794 /nfs/dbraw/zinc/37/37/94/793373794.db2.gz OTFODIPXFCOZCA-CHWSQXEVSA-N 1 0 335.408 -1.177 20 0 EAADRO COC[C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)Cc2cn(C)nc21 ZINC001159019010 793373547 /nfs/dbraw/zinc/37/35/47/793373547.db2.gz OTFODIPXFCOZCA-OLZOCXBDSA-N 1 0 335.408 -1.177 20 0 EAADRO COC[C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)Cc2cn(C)nc21 ZINC001159019011 793373036 /nfs/dbraw/zinc/37/30/36/793373036.db2.gz OTFODIPXFCOZCA-QWHCGFSZSA-N 1 0 335.408 -1.177 20 0 EAADRO COC[C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)Cc2cn(C)nc21 ZINC001159019014 793374383 /nfs/dbraw/zinc/37/43/83/793374383.db2.gz OTFODIPXFCOZCA-STQMWFEESA-N 1 0 335.408 -1.177 20 0 EAADRO COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)Cc2cn(C)nc21 ZINC001159028516 793373997 /nfs/dbraw/zinc/37/39/97/793373997.db2.gz CQGHXKAEDRBJHY-DLOVCJGASA-N 1 0 339.396 -1.683 20 0 EAADRO COC[C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)Cc2cn(C)nc21 ZINC001159028517 793373650 /nfs/dbraw/zinc/37/36/50/793373650.db2.gz CQGHXKAEDRBJHY-WCQGTBRESA-N 1 0 339.396 -1.683 20 0 EAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1NC[C@@H]1COCC[NH2+]1 ZINC001159046439 793373198 /nfs/dbraw/zinc/37/31/98/793373198.db2.gz JGYDCXQMSDPMSR-MRVPVSSYSA-N 1 0 330.366 -1.084 20 0 EAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1NC[C@H]1COCC[NH2+]1 ZINC001159046440 793373843 /nfs/dbraw/zinc/37/38/43/793373843.db2.gz JGYDCXQMSDPMSR-QMMMGPOBSA-N 1 0 330.366 -1.084 20 0 EAADRO COc1nc(NC[C@@H]2COCC[NH2+]2)nc(N2CCn3ccnc3C2)n1 ZINC001159046896 793373123 /nfs/dbraw/zinc/37/31/23/793373123.db2.gz OVPZFWLYXPVQJR-LLVKDONJSA-N 1 0 346.395 -1.081 20 0 EAADRO COc1nc(NC[C@H]2COCC[NH2+]2)nc(N2CCn3ccnc3C2)n1 ZINC001159046898 793373773 /nfs/dbraw/zinc/37/37/73/793373773.db2.gz OVPZFWLYXPVQJR-NSHDSACASA-N 1 0 346.395 -1.081 20 0 EAADRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@@H]21 ZINC001159048550 793374022 /nfs/dbraw/zinc/37/40/22/793374022.db2.gz UGKZBBCVIOIAFM-DHGKCCLASA-N 1 0 325.409 -1.092 20 0 EAADRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001159048551 793374135 /nfs/dbraw/zinc/37/41/35/793374135.db2.gz UGKZBBCVIOIAFM-XGFWRYKXSA-N 1 0 325.409 -1.092 20 0 EAADRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001159048552 793373186 /nfs/dbraw/zinc/37/31/86/793373186.db2.gz UGKZBBCVIOIAFM-XHJNMGKDSA-N 1 0 325.409 -1.092 20 0 EAADRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)C[C@@H]21 ZINC001159048553 793374343 /nfs/dbraw/zinc/37/43/43/793374343.db2.gz UGKZBBCVIOIAFM-XVIXHAIJSA-N 1 0 325.409 -1.092 20 0 EAADRO O=C(CCc1ccncn1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159053418 793374309 /nfs/dbraw/zinc/37/43/09/793374309.db2.gz BZGVPXBGHYHGEJ-UHFFFAOYSA-N 1 0 348.407 -1.537 20 0 EAADRO N[C@@H](C[NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159071767 793373937 /nfs/dbraw/zinc/37/39/37/793373937.db2.gz FHGLRVYXZASFDD-WYUUTHIRSA-N 1 0 334.380 -1.578 20 0 EAADRO [NH3+]C[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159071944 793373889 /nfs/dbraw/zinc/37/38/89/793373889.db2.gz MDOROCZFKWHSSX-LPWJVIDDSA-N 1 0 349.391 -1.154 20 0 EAADRO [NH3+]C[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159071945 793373968 /nfs/dbraw/zinc/37/39/68/793373968.db2.gz MDOROCZFKWHSSX-XQHKEYJVSA-N 1 0 349.391 -1.154 20 0 EAADRO N[C@@H](CC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159072808 793373627 /nfs/dbraw/zinc/37/36/27/793373627.db2.gz WEXMAMVJWLVKQS-NDBYEHHHSA-N 1 0 348.407 -1.188 20 0 EAADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159076813 793373154 /nfs/dbraw/zinc/37/31/54/793373154.db2.gz XJDQAKBBBJTDDG-LBPRGKRZSA-N 1 0 349.439 -2.022 20 0 EAADRO [NH3+]CCNCC(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159076844 793373116 /nfs/dbraw/zinc/37/31/16/793373116.db2.gz YUCPMKQJRNSIHT-UPJWGTAASA-N 1 0 348.407 -1.316 20 0 EAADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](N)CC[NH3+] ZINC001159077075 793373980 /nfs/dbraw/zinc/37/39/80/793373980.db2.gz MGYXAHPEVQOSPE-DVOMOZLQSA-N 1 0 342.440 -1.083 20 0 EAADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](N)CC[NH3+] ZINC001159077076 793373755 /nfs/dbraw/zinc/37/37/55/793373755.db2.gz MGYXAHPEVQOSPE-HEHGZKQESA-N 1 0 342.440 -1.083 20 0 EAADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](N)CC[NH3+] ZINC001159077077 793373020 /nfs/dbraw/zinc/37/30/20/793373020.db2.gz MGYXAHPEVQOSPE-WWGRRREGSA-N 1 0 342.440 -1.083 20 0 EAADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](N)CC[NH3+] ZINC001159077078 793373005 /nfs/dbraw/zinc/37/30/05/793373005.db2.gz MGYXAHPEVQOSPE-XEZPLFJOSA-N 1 0 342.440 -1.083 20 0 EAADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077915 793374351 /nfs/dbraw/zinc/37/43/51/793374351.db2.gz SIRDMFAOEMGBCA-BBRMVZONSA-N 1 0 342.440 -1.210 20 0 EAADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077916 793373464 /nfs/dbraw/zinc/37/34/64/793373464.db2.gz SIRDMFAOEMGBCA-CJNGLKHVSA-N 1 0 342.440 -1.210 20 0 EAADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077917 793374157 /nfs/dbraw/zinc/37/41/57/793374157.db2.gz SIRDMFAOEMGBCA-CZUORRHYSA-N 1 0 342.440 -1.210 20 0 EAADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077918 793372984 /nfs/dbraw/zinc/37/29/84/793372984.db2.gz SIRDMFAOEMGBCA-XJKSGUPXSA-N 1 0 342.440 -1.210 20 0 EAADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001159077935 793373896 /nfs/dbraw/zinc/37/38/96/793373896.db2.gz SPLCXUMDEDPRRJ-IOASZLSFSA-N 1 0 343.424 -1.049 20 0 EAADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001159077936 793373951 /nfs/dbraw/zinc/37/39/51/793373951.db2.gz SPLCXUMDEDPRRJ-WWGRRREGSA-N 1 0 343.424 -1.049 20 0 EAADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001159077937 793374322 /nfs/dbraw/zinc/37/43/22/793374322.db2.gz SPLCXUMDEDPRRJ-XEZPLFJOSA-N 1 0 343.424 -1.049 20 0 EAADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001159077938 793373083 /nfs/dbraw/zinc/37/30/83/793373083.db2.gz SPLCXUMDEDPRRJ-ZENOOKHLSA-N 1 0 343.424 -1.049 20 0 EAADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078105 793374196 /nfs/dbraw/zinc/37/41/96/793374196.db2.gz UXELEHLGSNPDEA-HUBLWGQQSA-N 1 0 328.413 -1.473 20 0 EAADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078106 793372959 /nfs/dbraw/zinc/37/29/59/793372959.db2.gz UXELEHLGSNPDEA-SLEUVZQESA-N 1 0 328.413 -1.473 20 0 EAADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078107 793373399 /nfs/dbraw/zinc/37/33/99/793373399.db2.gz UXELEHLGSNPDEA-TYNCELHUSA-N 1 0 328.413 -1.473 20 0 EAADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078108 793372857 /nfs/dbraw/zinc/37/28/57/793372857.db2.gz UXELEHLGSNPDEA-XUJVJEKNSA-N 1 0 328.413 -1.473 20 0 EAADRO Cn1nccc1CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001159082146 793374298 /nfs/dbraw/zinc/37/42/98/793374298.db2.gz WSRVPHOKBILHMX-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO CCO[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H]2CCCO[C@H]12 ZINC001159085684 793373557 /nfs/dbraw/zinc/37/35/57/793373557.db2.gz XKPUNTCCTYYCIZ-YYHQMBLXSA-N 1 0 329.397 -1.394 20 0 EAADRO CC(=O)NCC(=O)NCCC1=CC[N@H+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001159086205 793373580 /nfs/dbraw/zinc/37/35/80/793373580.db2.gz YEIDUZXGEOHFTJ-JTQLQIEISA-N 1 0 339.396 -1.156 20 0 EAADRO CC(=O)NCC(=O)NCCC1=CC[N@H+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001159086206 793374063 /nfs/dbraw/zinc/37/40/63/793374063.db2.gz YEIDUZXGEOHFTJ-SNVBAGLBSA-N 1 0 339.396 -1.156 20 0 EAADRO CS(=O)(=O)c1nc2c(c(NCC(=O)CCO)n1)CC[NH2+]CC2 ZINC001159089671 793374091 /nfs/dbraw/zinc/37/40/91/793374091.db2.gz JKXOTCAWJXEZKZ-UHFFFAOYSA-N 1 0 328.394 -1.068 20 0 EAADRO N[C@@H](C[NH3+])C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159091027 793373521 /nfs/dbraw/zinc/37/35/21/793373521.db2.gz LAJZTXZURTVJRD-RMRHIDDWSA-N 1 0 340.424 -1.330 20 0 EAADRO COCc1n[nH]c2c1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001159091592 793373288 /nfs/dbraw/zinc/37/32/88/793373288.db2.gz SDSWCJJNAVOCHS-UHFFFAOYSA-N 1 0 331.398 -1.381 20 0 EAADRO Cn1ccc(CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001159100118 793374215 /nfs/dbraw/zinc/37/42/15/793374215.db2.gz LAFCPKTXPYKLNU-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])COC(C)=O)C[C@H]21 ZINC001159109055 793374041 /nfs/dbraw/zinc/37/40/41/793374041.db2.gz LLBQUHFVZDQMEE-MROQNXINSA-N 1 0 327.381 -1.124 20 0 EAADRO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C[C@H]21 ZINC001159109347 793372892 /nfs/dbraw/zinc/37/28/92/793372892.db2.gz RSBXCUGUUOGZRG-GODIYZJISA-N 1 0 336.436 -1.063 20 0 EAADRO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]21 ZINC001159109348 793374232 /nfs/dbraw/zinc/37/42/32/793374232.db2.gz RSBXCUGUUOGZRG-MPZWGZMNSA-N 1 0 336.436 -1.063 20 0 EAADRO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C[C@H]21 ZINC001159109349 793373733 /nfs/dbraw/zinc/37/37/33/793373733.db2.gz RSBXCUGUUOGZRG-RKWLLSJHSA-N 1 0 336.436 -1.063 20 0 EAADRO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]21 ZINC001159109350 793374105 /nfs/dbraw/zinc/37/41/05/793374105.db2.gz RSBXCUGUUOGZRG-TVRNETQVSA-N 1 0 336.436 -1.063 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1ccns1)N1CCNC(=O)C1 ZINC001159113643 793374925 /nfs/dbraw/zinc/37/49/25/793374925.db2.gz OZCYJZXHNCIBEW-UHFFFAOYSA-N 1 0 325.394 -1.189 20 0 EAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159123896 793375567 /nfs/dbraw/zinc/37/55/67/793375567.db2.gz KOCOPPHALHDUOH-SWLSCSKDSA-N 1 0 327.429 -2.041 20 0 EAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159123898 793375673 /nfs/dbraw/zinc/37/56/73/793375673.db2.gz KOCOPPHALHDUOH-WFASDCNBSA-N 1 0 327.429 -2.041 20 0 EAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CNCC[NH3+])C2)C1 ZINC001159125790 793374946 /nfs/dbraw/zinc/37/49/46/793374946.db2.gz ILNLLFGGYQJCLV-INIZCTEOSA-N 1 0 341.456 -1.778 20 0 EAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CNCC[NH3+])C2)C1 ZINC001159125791 793375321 /nfs/dbraw/zinc/37/53/21/793375321.db2.gz ILNLLFGGYQJCLV-MRXNPFEDSA-N 1 0 341.456 -1.778 20 0 EAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)CC[NH3+])C2)C1 ZINC001159127654 793374787 /nfs/dbraw/zinc/37/47/87/793374787.db2.gz UPHPEJYHQVMPTN-BBRMVZONSA-N 1 0 341.456 -1.651 20 0 EAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)CC[NH3+])C2)C1 ZINC001159127655 793375202 /nfs/dbraw/zinc/37/52/02/793375202.db2.gz UPHPEJYHQVMPTN-XJKSGUPXSA-N 1 0 341.456 -1.651 20 0 EAADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2nnn[n-]2)C1 ZINC001159134838 793375400 /nfs/dbraw/zinc/37/54/00/793375400.db2.gz PYPWPCKQRYUTLW-MNOVXSKESA-N 1 0 333.400 -1.514 20 0 EAADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2nnn[n-]2)C1 ZINC001159134840 793375084 /nfs/dbraw/zinc/37/50/84/793375084.db2.gz PYPWPCKQRYUTLW-QWRGUYRKSA-N 1 0 333.400 -1.514 20 0 EAADRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H](N)C[NH3+])O1 ZINC001159135424 793375364 /nfs/dbraw/zinc/37/53/64/793375364.db2.gz BPSCVRMKPBYCLF-YVECIDJPSA-N 1 0 328.413 -1.474 20 0 EAADRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C[C@@H](O)C[NH3+])O1 ZINC001159135534 793375009 /nfs/dbraw/zinc/37/50/09/793375009.db2.gz DOQJRYYPVOVICM-AAVRWANBSA-N 1 0 343.424 -1.051 20 0 EAADRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C[C@H](O)C[NH3+])O1 ZINC001159135547 793375752 /nfs/dbraw/zinc/37/57/52/793375752.db2.gz DOQJRYYPVOVICM-REWJHTLYSA-N 1 0 343.424 -1.051 20 0 EAADRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)CNCC[NH3+])O1 ZINC001159136305 793375452 /nfs/dbraw/zinc/37/54/52/793375452.db2.gz SWJRSGQFENJSPU-MGPQQGTHSA-N 1 0 342.440 -1.212 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(=O)C(C)C ZINC001159161318 793374521 /nfs/dbraw/zinc/37/45/21/793374521.db2.gz CWIYWFWYYUQYHZ-UHFFFAOYSA-N 1 0 329.401 -1.348 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159162267 793375764 /nfs/dbraw/zinc/37/57/64/793375764.db2.gz QRVHKVUEHNXKOE-UHFFFAOYSA-N 1 0 326.401 -1.181 20 0 EAADRO CC[C@@H]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001159168833 793375740 /nfs/dbraw/zinc/37/57/40/793375740.db2.gz AZCXIMGTJWLMOH-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CC[C@@H]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001159168837 793374910 /nfs/dbraw/zinc/37/49/10/793374910.db2.gz AZCXIMGTJWLMOH-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO CC[C@H]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001159168839 793374467 /nfs/dbraw/zinc/37/44/67/793374467.db2.gz AZCXIMGTJWLMOH-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CC[C@H]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001159168841 793375440 /nfs/dbraw/zinc/37/54/40/793375440.db2.gz AZCXIMGTJWLMOH-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)n1 ZINC001159183935 787239747 /nfs/dbraw/zinc/23/97/47/787239747.db2.gz DGKUBYXQDPJUFB-UHFFFAOYSA-N 1 0 332.430 -1.215 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159184001 793374492 /nfs/dbraw/zinc/37/44/92/793374492.db2.gz FQWXYHYEJRRHOV-UHFFFAOYSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)S(C)(=O)=O ZINC001159184006 793375520 /nfs/dbraw/zinc/37/55/20/793375520.db2.gz FTLNTNKGNFJSAG-UHFFFAOYSA-N 1 0 344.437 -1.127 20 0 EAADRO CS(=O)(=O)NCCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001159184072 787239902 /nfs/dbraw/zinc/23/99/02/787239902.db2.gz GAMKFMLIMJPELM-UHFFFAOYSA-N 1 0 348.425 -1.829 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159184110 787239277 /nfs/dbraw/zinc/23/92/77/787239277.db2.gz HKCGPYXWKKPMPZ-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159184124 793375169 /nfs/dbraw/zinc/37/51/69/793375169.db2.gz HYGOHQSHTUQOEY-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159184125 793375534 /nfs/dbraw/zinc/37/55/34/793375534.db2.gz HYGOHQSHTUQOEY-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO COc1ccc(C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)nn1 ZINC001159184137 787239863 /nfs/dbraw/zinc/23/98/63/787239863.db2.gz INGSNIANEYUYML-UHFFFAOYSA-N 1 0 345.425 -1.028 20 0 EAADRO CC(C)n1nnnc1C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159184183 793374670 /nfs/dbraw/zinc/37/46/70/793374670.db2.gz IZIUCHFMOZAOTR-UHFFFAOYSA-N 1 0 347.445 -1.259 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)c1nncn1C ZINC001159184307 793375299 /nfs/dbraw/zinc/37/52/99/793375299.db2.gz LPAKPYDSLIFAPJ-JTQLQIEISA-N 1 0 332.430 -1.137 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)c1nncn1C ZINC001159184308 793375238 /nfs/dbraw/zinc/37/52/38/793375238.db2.gz LPAKPYDSLIFAPJ-SNVBAGLBSA-N 1 0 332.430 -1.137 20 0 EAADRO CN(CC(=O)NCCC[NH2+]CCN1CCNC1=O)S(C)(=O)=O ZINC001159184311 793375704 /nfs/dbraw/zinc/37/57/04/793375704.db2.gz LSACLYLUGYMEAB-UHFFFAOYSA-N 1 0 335.430 -2.001 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)n1C ZINC001159184313 793375504 /nfs/dbraw/zinc/37/55/04/793375504.db2.gz LSXFPFLBSVPKQM-UHFFFAOYSA-N 1 0 346.457 -1.135 20 0 EAADRO CN(CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)S(C)(=O)=O ZINC001159184325 793375735 /nfs/dbraw/zinc/37/57/35/793375735.db2.gz LUSOCDDBNOVDJK-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1)S(C)(=O)=O ZINC001159184347 787240583 /nfs/dbraw/zinc/24/05/83/787240583.db2.gz MIEBBORAPWJWGR-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CN(CC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O)S(C)(=O)=O ZINC001159184351 787240258 /nfs/dbraw/zinc/24/02/58/787240258.db2.gz MJDOBMXDWLYJLO-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CN(CC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O)S(C)(=O)=O ZINC001159184357 787240303 /nfs/dbraw/zinc/24/03/03/787240303.db2.gz MJDOBMXDWLYJLO-NSHDSACASA-N 1 0 334.442 -1.406 20 0 EAADRO CN(CC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1)S(C)(=O)=O ZINC001159184359 787240357 /nfs/dbraw/zinc/24/03/57/787240357.db2.gz MJFNTNJVUPDJHQ-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCNS(C)(=O)=O)C(=O)NC(N)=O ZINC001159184376 787240406 /nfs/dbraw/zinc/24/04/06/787240406.db2.gz MRRNTSCFPKDHIC-MRVPVSSYSA-N 1 0 337.402 -2.395 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCNS(C)(=O)=O)C(=O)NC(N)=O 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CCS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001159189331 787243651 /nfs/dbraw/zinc/24/36/51/787243651.db2.gz HAYWLGYLEVNYOW-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)CCNS(C)(=O)=O)n1C ZINC001159189334 787243264 /nfs/dbraw/zinc/24/32/64/787243264.db2.gz HDKRZFBJJSEXRL-UHFFFAOYSA-N 1 0 346.457 -1.087 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001159189337 787243347 /nfs/dbraw/zinc/24/33/47/787243347.db2.gz HFMXALVCYJYISV-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCNS(C)(=O)=O)c1nnnn1C ZINC001159189341 787243127 /nfs/dbraw/zinc/24/31/27/787243127.db2.gz HNQWTHREIOAKTB-SECBINFHSA-N 1 0 333.418 -1.694 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCNS(C)(=O)=O)c1nnnn1C ZINC001159189342 787243357 /nfs/dbraw/zinc/24/33/57/787243357.db2.gz HNQWTHREIOAKTB-VIFPVBQESA-N 1 0 333.418 -1.694 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159189347 787243896 /nfs/dbraw/zinc/24/38/96/787243896.db2.gz IFOOQPVCQMGGKW-UHFFFAOYSA-N 1 0 332.430 -1.167 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CCNS(C)(=O)=O)n1 ZINC001159189357 793374836 /nfs/dbraw/zinc/37/48/36/793374836.db2.gz ILPSELNVPUTETC-UHFFFAOYSA-N 1 0 332.430 -1.167 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159189372 793374886 /nfs/dbraw/zinc/37/48/86/793374886.db2.gz IXYPMIUPMMMHTF-JTQLQIEISA-N 1 0 329.401 -1.220 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159189373 793375529 /nfs/dbraw/zinc/37/55/29/793375529.db2.gz IXYPMIUPMMMHTF-SNVBAGLBSA-N 1 0 329.401 -1.220 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001159189409 787243725 /nfs/dbraw/zinc/24/37/25/787243725.db2.gz KSVCIIGYUAHZGO-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001159189702 787243893 /nfs/dbraw/zinc/24/38/93/787243893.db2.gz LAPFFXWQVSRGGP-GFCCVEGCSA-N 1 0 347.441 -1.721 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001159189703 787243539 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347.397 -1.352 20 0 EAADRO CN(CC(=O)NCCC[NH2+]CCNC(=O)C1CC1)S(C)(=O)=O ZINC001159201467 787244897 /nfs/dbraw/zinc/24/48/97/787244897.db2.gz XIADZVYRLMJTDZ-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001159201472 793375962 /nfs/dbraw/zinc/37/59/62/793375962.db2.gz XSLHYFXSULYGIW-GFCCVEGCSA-N 1 0 348.469 -1.062 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001159201473 793376623 /nfs/dbraw/zinc/37/66/23/793376623.db2.gz XSLHYFXSULYGIW-LBPRGKRZSA-N 1 0 348.469 -1.062 20 0 EAADRO CCS(=O)(=O)NCC(=O)NCCC[NH2+]CCc1ccnn1C ZINC001159201483 793375980 /nfs/dbraw/zinc/37/59/80/793375980.db2.gz YEIYFFFPNDVMGS-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)CNCC[NH3+])C[C@@H]21 ZINC001159201990 793375919 /nfs/dbraw/zinc/37/59/19/793375919.db2.gz CKKTTWKFMOGJRV-RWMBFGLXSA-N 1 0 327.429 -1.331 20 0 EAADRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001159202301 793376267 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EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(=O)C1CC1 ZINC001159217452 793378411 /nfs/dbraw/zinc/37/84/11/793378411.db2.gz HJQIMUDJQJGBBL-CQSZACIVSA-N 1 0 345.440 -1.025 20 0 EAADRO CN(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C(=O)C1CC1 ZINC001159217876 793378126 /nfs/dbraw/zinc/37/81/26/793378126.db2.gz LPVGXNRBGDIFJB-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(=O)C1CC1 ZINC001159218321 793377475 /nfs/dbraw/zinc/37/74/75/793377475.db2.gz PCNIOYAOBPAFBB-JTQLQIEISA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(=O)C1CC1 ZINC001159218322 793377640 /nfs/dbraw/zinc/37/76/40/793377640.db2.gz PCNIOYAOBPAFBB-SNVBAGLBSA-N 1 0 341.412 -1.205 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN(C)C(=O)C1CC1 ZINC001159218386 793378383 /nfs/dbraw/zinc/37/83/83/793378383.db2.gz RXTVLCMHABRQDO-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CN(CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)C(=O)C1CC1 ZINC001159218634 793377336 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COCC(=O)N(C)CC(=O)NCCC[NH2+]Cc1nnnn1C(C)C ZINC001159223542 793377422 /nfs/dbraw/zinc/37/74/22/793377422.db2.gz CNORRXDYERCYPN-UHFFFAOYSA-N 1 0 341.416 -1.045 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159223643 793377874 /nfs/dbraw/zinc/37/78/74/793377874.db2.gz GDGQSOAJBAUCGN-UHFFFAOYSA-N 1 0 331.373 -2.357 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]Cc1ncnn1CCF ZINC001159223652 793378270 /nfs/dbraw/zinc/37/82/70/793378270.db2.gz GUBBOLVVKNTLJQ-UHFFFAOYSA-N 1 0 344.391 -1.052 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001159223665 793377062 /nfs/dbraw/zinc/37/70/62/793377062.db2.gz HOGKWVMHPBPTNZ-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159223666 793378208 /nfs/dbraw/zinc/37/82/08/793378208.db2.gz HOMYLPMSZJCQIX-UHFFFAOYSA-N 1 0 345.400 -1.967 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001159223670 793378414 /nfs/dbraw/zinc/37/84/14/793378414.db2.gz HVNMRPYMFHYHCE-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001159223672 793377295 /nfs/dbraw/zinc/37/72/95/793377295.db2.gz HVNMRPYMFHYHCE-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001159223695 793378323 /nfs/dbraw/zinc/37/83/23/793378323.db2.gz ILBBQXPNJKFTJQ-GFCCVEGCSA-N 1 0 338.412 -1.034 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001159223696 793377598 /nfs/dbraw/zinc/37/75/98/793377598.db2.gz ILBBQXPNJKFTJQ-LBPRGKRZSA-N 1 0 338.412 -1.034 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001159223774 793378089 /nfs/dbraw/zinc/37/80/89/793378089.db2.gz JYAIYGUFSJLSEF-UHFFFAOYSA-N 1 0 328.413 -1.192 20 0 EAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](N)C[NH3+] ZINC001159223953 793377693 /nfs/dbraw/zinc/37/76/93/793377693.db2.gz FCBJRWWOPDJNHM-MNOVXSKESA-N 1 0 334.384 -1.678 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001159223968 793377568 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COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224003 793377447 /nfs/dbraw/zinc/37/74/47/793377447.db2.gz MPWLNSMDCCHZIO-CYBMUJFWSA-N 1 0 349.428 -1.789 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224007 787248275 /nfs/dbraw/zinc/24/82/75/787248275.db2.gz MPWLNSMDCCHZIO-ZDUSSCGKSA-N 1 0 349.428 -1.789 20 0 EAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](N)CC[NH3+] ZINC001159224083 793377857 /nfs/dbraw/zinc/37/78/57/793377857.db2.gz HBSMTFSFVQVXJQ-NEPJUHHUSA-N 1 0 348.411 -1.288 20 0 EAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](N)CC[NH3+] ZINC001159224084 793377493 /nfs/dbraw/zinc/37/74/93/793377493.db2.gz HBSMTFSFVQVXJQ-RYUDHWBXSA-N 1 0 348.411 -1.288 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001159224096 793377222 /nfs/dbraw/zinc/37/72/22/793377222.db2.gz NDVXXVAPSFGJAA-JTQLQIEISA-N 1 0 327.389 -1.528 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001159224097 793377543 /nfs/dbraw/zinc/37/75/43/793377543.db2.gz NDVXXVAPSFGJAA-SNVBAGLBSA-N 1 0 327.389 -1.528 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)CN(C)C(=O)COC)nn1 ZINC001159224130 793377175 /nfs/dbraw/zinc/37/71/75/793377175.db2.gz OVSPHIMGOWMSPT-UHFFFAOYSA-N 1 0 326.401 -1.001 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001159224295 793377349 /nfs/dbraw/zinc/37/73/49/793377349.db2.gz QCEZIWSNFZFUQG-UHFFFAOYSA-N 1 0 329.401 -1.788 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001159224299 793377245 /nfs/dbraw/zinc/37/72/45/793377245.db2.gz QEXZPCOUZKRHHB-UHFFFAOYSA-N 1 0 328.413 -1.191 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159224306 793377093 /nfs/dbraw/zinc/37/70/93/793377093.db2.gz QJSYCBIWXYWWQD-UHFFFAOYSA-N 1 0 343.384 -2.261 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224345 793377953 /nfs/dbraw/zinc/37/79/53/793377953.db2.gz RIMBFCVTBIINCB-UHFFFAOYSA-N 1 0 326.401 -1.001 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001159224378 787249937 /nfs/dbraw/zinc/24/99/37/787249937.db2.gz SFBMJOXGUKATQW-UHFFFAOYSA-N 1 0 346.428 -1.660 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001159224406 793377169 /nfs/dbraw/zinc/37/71/69/793377169.db2.gz SWRXTDXEZMZYLA-GFCCVEGCSA-N 1 0 349.453 -1.378 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001159224407 793378265 /nfs/dbraw/zinc/37/82/65/793378265.db2.gz SWRXTDXEZMZYLA-LBPRGKRZSA-N 1 0 349.453 -1.378 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)CN(C)C(=O)COC)C1=O ZINC001159224420 793377649 /nfs/dbraw/zinc/37/76/49/793377649.db2.gz TZGMGQWDLAIQAY-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)CN(C)C(=O)COC)C1=O ZINC001159224421 793377702 /nfs/dbraw/zinc/37/77/02/793377702.db2.gz TZGMGQWDLAIQAY-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159224428 793378423 /nfs/dbraw/zinc/37/84/23/793378423.db2.gz UHZXRNLEEXWXOO-UHFFFAOYSA-N 1 0 328.373 -2.191 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001159224448 787249292 /nfs/dbraw/zinc/24/92/92/787249292.db2.gz UPRXMKAKHFKKPQ-UHFFFAOYSA-N 1 0 337.442 -1.378 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001159224463 793378241 /nfs/dbraw/zinc/37/82/41/793378241.db2.gz UYONSDGOPBWYPA-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001159224524 793378318 /nfs/dbraw/zinc/37/83/18/793378318.db2.gz WVKOWZWIPKCQNA-UHFFFAOYSA-N 1 0 328.413 -1.191 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224539 793378339 /nfs/dbraw/zinc/37/83/39/793378339.db2.gz XPNIZUUPXMLMTM-UHFFFAOYSA-N 1 0 346.428 -1.660 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CN(C)C(=O)COC)n1 ZINC001159224542 793377581 /nfs/dbraw/zinc/37/75/81/793377581.db2.gz XSSAWNUTJJFKAF-UHFFFAOYSA-N 1 0 326.401 -1.001 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCNC(=O)NC(C)C ZINC001159224552 793378180 /nfs/dbraw/zinc/37/81/80/793378180.db2.gz YGZRPXLFLOARLT-UHFFFAOYSA-N 1 0 345.444 -1.105 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224645 793377884 /nfs/dbraw/zinc/37/78/84/793377884.db2.gz ZRPUBHNIEVWYLJ-UHFFFAOYSA-N 1 0 346.428 -1.660 20 0 EAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CNCC[NH3+] ZINC001159225973 793377563 /nfs/dbraw/zinc/37/75/63/793377563.db2.gz WTUBPGSYQYNFQH-GFCCVEGCSA-N 1 0 348.411 -1.416 20 0 EAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CNCC[NH3+] ZINC001159225974 793378251 /nfs/dbraw/zinc/37/82/51/793378251.db2.gz WTUBPGSYQYNFQH-LBPRGKRZSA-N 1 0 348.411 -1.416 20 0 EAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[C@H](O)C[NH3+] ZINC001159226059 793379356 /nfs/dbraw/zinc/37/93/56/793379356.db2.gz XKOVUFJSIKRANW-NEPJUHHUSA-N 1 0 349.395 -1.255 20 0 EAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[C@@H](O)C[NH3+] ZINC001159226062 793378606 /nfs/dbraw/zinc/37/86/06/793378606.db2.gz XKOVUFJSIKRANW-NWDGAFQWSA-N 1 0 349.395 -1.255 20 0 EAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[C@H](O)C[NH3+] ZINC001159226064 793378822 /nfs/dbraw/zinc/37/88/22/793378822.db2.gz XKOVUFJSIKRANW-RYUDHWBXSA-N 1 0 349.395 -1.255 20 0 EAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[C@@H](O)C[NH3+] ZINC001159226067 793378886 /nfs/dbraw/zinc/37/88/86/793378886.db2.gz XKOVUFJSIKRANW-VXGBXAGGSA-N 1 0 349.395 -1.255 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001159229383 793379067 /nfs/dbraw/zinc/37/90/67/793379067.db2.gz ALRDDXVXWLDJKA-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001159229386 793379529 /nfs/dbraw/zinc/37/95/29/793379529.db2.gz ALRDDXVXWLDJKA-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159229481 793379227 /nfs/dbraw/zinc/37/92/27/793379227.db2.gz CDRDEIMDBNIFLQ-JTQLQIEISA-N 1 0 345.400 -1.969 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159229482 793379168 /nfs/dbraw/zinc/37/91/68/793379168.db2.gz CDRDEIMDBNIFLQ-SNVBAGLBSA-N 1 0 345.400 -1.969 20 0 EAADRO CC(C)N1C[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001159230037 793379128 /nfs/dbraw/zinc/37/91/28/793379128.db2.gz JTIULQNTRKZPDA-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(C)N1C[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001159230038 793379462 /nfs/dbraw/zinc/37/94/62/793379462.db2.gz JTIULQNTRKZPDA-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(C)N1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001159230040 793379341 /nfs/dbraw/zinc/37/93/41/793379341.db2.gz JWHDBOPTRLUJIV-JTQLQIEISA-N 1 0 327.385 -1.466 20 0 EAADRO CC(C)N1C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001159230041 793379448 /nfs/dbraw/zinc/37/94/48/793379448.db2.gz JWHDBOPTRLUJIV-SNVBAGLBSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159230164 793378701 /nfs/dbraw/zinc/37/87/01/793378701.db2.gz KLRBRLBDSIWNJH-GHMZBOCLSA-N 1 0 338.412 -1.133 20 0 EAADRO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159230167 793378849 /nfs/dbraw/zinc/37/88/49/793378849.db2.gz KLRBRLBDSIWNJH-MNOVXSKESA-N 1 0 338.412 -1.133 20 0 EAADRO C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159230170 793378898 /nfs/dbraw/zinc/37/88/98/793378898.db2.gz KLRBRLBDSIWNJH-QWRGUYRKSA-N 1 0 338.412 -1.133 20 0 EAADRO C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159230173 793378968 /nfs/dbraw/zinc/37/89/68/793378968.db2.gz KLRBRLBDSIWNJH-WDEREUQCSA-N 1 0 338.412 -1.133 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001159230567 793379456 /nfs/dbraw/zinc/37/94/56/793379456.db2.gz LUSXGBKXMSKXEV-LLVKDONJSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001159230568 793378655 /nfs/dbraw/zinc/37/86/55/793378655.db2.gz LUSXGBKXMSKXEV-NSHDSACASA-N 1 0 341.412 -1.205 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001159231633 793379220 /nfs/dbraw/zinc/37/92/20/793379220.db2.gz WWSSBCHJBKKELK-CYBMUJFWSA-N 1 0 341.412 -1.555 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001159231634 793378878 /nfs/dbraw/zinc/37/88/78/793378878.db2.gz WWSSBCHJBKKELK-ZDUSSCGKSA-N 1 0 341.412 -1.555 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159231665 793378739 /nfs/dbraw/zinc/37/87/39/793378739.db2.gz XPVRPFFWFJWKOY-SECBINFHSA-N 1 0 331.373 -2.230 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159231666 793378562 /nfs/dbraw/zinc/37/85/62/793378562.db2.gz XPVRPFFWFJWKOY-VIFPVBQESA-N 1 0 331.373 -2.230 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001159231718 793378744 /nfs/dbraw/zinc/37/87/44/793378744.db2.gz YRNVUQCYGDKOCB-UHFFFAOYSA-N 1 0 342.396 -1.664 20 0 EAADRO COCC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001159231862 793379262 /nfs/dbraw/zinc/37/92/62/793379262.db2.gz ZVIAYCUSHNNTKH-UHFFFAOYSA-N 1 0 341.368 -1.186 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)C[NH2+]2)cn1 ZINC001159235669 793379148 /nfs/dbraw/zinc/37/91/48/793379148.db2.gz BRWXFMQRTWPIBE-XDQVBPFNSA-N 1 0 333.392 -1.042 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[C@@H](O)C[NH2+]2)cn1 ZINC001159235670 793378629 /nfs/dbraw/zinc/37/86/29/793378629.db2.gz BRWXFMQRTWPIBE-YIYPIFLZSA-N 1 0 333.392 -1.042 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]CCN2)cn1 ZINC001159236093 793378812 /nfs/dbraw/zinc/37/88/12/793378812.db2.gz LCXDFIFUTYCJRL-HZSPNIEDSA-N 1 0 332.408 -1.203 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH2+]CCN2)cn1 ZINC001159236094 793379076 /nfs/dbraw/zinc/37/90/76/793379076.db2.gz LCXDFIFUTYCJRL-MELADBBJSA-N 1 0 332.408 -1.203 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]C[C@@H]2N)cn1 ZINC001159236489 793378911 /nfs/dbraw/zinc/37/89/11/793378911.db2.gz QYXRPQCMWMSXMI-XDQVBPFNSA-N 1 0 332.408 -1.218 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@]2(N)CC[NH2+]C2)cn1 ZINC001159236885 793379412 /nfs/dbraw/zinc/37/94/12/793379412.db2.gz UWCXKPMYLPDYDS-WOSRLPQWSA-N 1 0 332.408 -1.074 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@]2(N)CC[NH2+]C2)cn1 ZINC001159236895 793379491 /nfs/dbraw/zinc/37/94/91/793379491.db2.gz UWCXKPMYLPDYDS-ZENOOKHLSA-N 1 0 332.408 -1.074 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2[NH2+]CC[C@@H]2O)cn1 ZINC001159237002 793379387 /nfs/dbraw/zinc/37/93/87/793379387.db2.gz WUWAHXODWXNFQV-CRWXNKLISA-N 1 0 333.392 -1.042 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2[NH2+]CC[C@H]2O)cn1 ZINC001159237005 793378669 /nfs/dbraw/zinc/37/86/69/793378669.db2.gz WUWAHXODWXNFQV-DGAVXFQQSA-N 1 0 333.392 -1.042 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC001159237190 793378525 /nfs/dbraw/zinc/37/85/25/793378525.db2.gz XXVQSNPYPOVGRJ-FQUUOJAGSA-N 1 0 333.392 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC001159237193 793379138 /nfs/dbraw/zinc/37/91/38/793379138.db2.gz XXVQSNPYPOVGRJ-IGQOVBAYSA-N 1 0 333.392 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC001159237196 793379315 /nfs/dbraw/zinc/37/93/15/793379315.db2.gz XXVQSNPYPOVGRJ-RQJABVFESA-N 1 0 333.392 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC001159237198 793379106 /nfs/dbraw/zinc/37/91/06/793379106.db2.gz XXVQSNPYPOVGRJ-XJFOESAGSA-N 1 0 333.392 -1.184 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H]([NH3+])CN2)cn1 ZINC001159237359 793379241 /nfs/dbraw/zinc/37/92/41/793379241.db2.gz ZFPBQQQCBAACNK-XDQVBPFNSA-N 1 0 332.408 -1.075 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@@H]([NH3+])CN2)cn1 ZINC001159237362 793379421 /nfs/dbraw/zinc/37/94/21/793379421.db2.gz ZFPBQQQCBAACNK-ZOBORPQBSA-N 1 0 332.408 -1.075 20 0 EAADRO CC(C)N1C[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001159239859 793379196 /nfs/dbraw/zinc/37/91/96/793379196.db2.gz DDOAAXAWMSBFAX-LLVKDONJSA-N 1 0 338.412 -1.039 20 0 EAADRO CC(C)N1C[C@@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001159239861 793379552 /nfs/dbraw/zinc/37/95/52/793379552.db2.gz DDOAAXAWMSBFAX-NSHDSACASA-N 1 0 338.412 -1.039 20 0 EAADRO COCCN1C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)CC1=O ZINC001159240062 793378637 /nfs/dbraw/zinc/37/86/37/793378637.db2.gz FLDMGOWODHZSPO-CYBMUJFWSA-N 1 0 340.424 -1.191 20 0 EAADRO COCCN1C[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)CC1=O ZINC001159240063 793379442 /nfs/dbraw/zinc/37/94/42/793379442.db2.gz FLDMGOWODHZSPO-ZDUSSCGKSA-N 1 0 340.424 -1.191 20 0 EAADRO COCCN1C[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)CC1=O ZINC001159240072 793378613 /nfs/dbraw/zinc/37/86/13/793378613.db2.gz FOUWOAHVBLISGY-LLVKDONJSA-N 1 0 339.400 -1.699 20 0 EAADRO COCCN1C[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C)CC1=O ZINC001159240073 793379297 /nfs/dbraw/zinc/37/92/97/793379297.db2.gz FOUWOAHVBLISGY-NSHDSACASA-N 1 0 339.400 -1.699 20 0 EAADRO C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159240110 793378769 /nfs/dbraw/zinc/37/87/69/793378769.db2.gz GCSXJPVPGWSJNM-NXEZZACHSA-N 1 0 327.385 -1.561 20 0 EAADRO C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159240111 793378798 /nfs/dbraw/zinc/37/87/98/793378798.db2.gz GCSXJPVPGWSJNM-UWVGGRQHSA-N 1 0 327.385 -1.561 20 0 EAADRO C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159240112 793378513 /nfs/dbraw/zinc/37/85/13/793378513.db2.gz GCSXJPVPGWSJNM-VHSXEESVSA-N 1 0 327.385 -1.561 20 0 EAADRO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159240113 793379101 /nfs/dbraw/zinc/37/91/01/793379101.db2.gz GCSXJPVPGWSJNM-ZJUUUORDSA-N 1 0 327.385 -1.561 20 0 EAADRO COCCN1C[C@H](C(=O)NCCC[NH2+]Cc2nncn2C)CC1=O ZINC001159241502 793379114 /nfs/dbraw/zinc/37/91/14/793379114.db2.gz NHPUBQHSSTZIJN-GFCCVEGCSA-N 1 0 338.412 -1.094 20 0 EAADRO COCCN1C[C@@H](C(=O)NCCC[NH2+]Cc2nncn2C)CC1=O ZINC001159241503 793378541 /nfs/dbraw/zinc/37/85/41/793378541.db2.gz NHPUBQHSSTZIJN-LBPRGKRZSA-N 1 0 338.412 -1.094 20 0 EAADRO CC(C)N1C[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1=O ZINC001159241544 793379482 /nfs/dbraw/zinc/37/94/82/793379482.db2.gz NZTWMCUQSFONOW-GHMZBOCLSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)N1C[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1=O ZINC001159241545 793379011 /nfs/dbraw/zinc/37/90/11/793379011.db2.gz NZTWMCUQSFONOW-MNOVXSKESA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)N1C[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1=O ZINC001159241546 793379213 /nfs/dbraw/zinc/37/92/13/793379213.db2.gz NZTWMCUQSFONOW-QWRGUYRKSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)N1C[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1=O ZINC001159241547 793379093 /nfs/dbraw/zinc/37/90/93/793379093.db2.gz NZTWMCUQSFONOW-WDEREUQCSA-N 1 0 341.412 -1.077 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1C ZINC001159241574 793379334 /nfs/dbraw/zinc/37/93/34/793379334.db2.gz OKPPURBPJLTWIW-GHMZBOCLSA-N 1 0 341.412 -1.300 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCNC(=O)[C@H]1C[C@H]1C ZINC001159241575 793379045 /nfs/dbraw/zinc/37/90/45/793379045.db2.gz 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C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001159241810 793378842 /nfs/dbraw/zinc/37/88/42/793378842.db2.gz QLUMXNZWHKFNJY-VXGBXAGGSA-N 1 0 348.469 -1.206 20 0 EAADRO CC(C)(C)N1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001159242188 793378953 /nfs/dbraw/zinc/37/89/53/793378953.db2.gz SHZSAFQPGMOKGJ-JTQLQIEISA-N 1 0 341.412 -1.076 20 0 EAADRO CC(C)(C)N1C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001159242189 793379536 /nfs/dbraw/zinc/37/95/36/793379536.db2.gz SHZSAFQPGMOKGJ-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO CS(=O)(=O)c1nc2c(c(N3C[C@H](O)C[C@@H]3CO)n1)CC[NH2+]CC2 ZINC001159245598 793379158 /nfs/dbraw/zinc/37/91/58/793379158.db2.gz MLNGLTRBYVWUGA-NXEZZACHSA-N 1 0 342.421 -1.500 20 0 EAADRO CN1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1=O ZINC001159247771 793379036 /nfs/dbraw/zinc/37/90/36/793379036.db2.gz AOOWUVYNGRIQGR-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO CN1C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1=O ZINC001159247773 793379326 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COCC(=O)NCCC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001159270428 793381893 /nfs/dbraw/zinc/38/18/93/793381893.db2.gz RZLDZDGGIHCUKI-CYBMUJFWSA-N 1 0 341.412 -1.507 20 0 EAADRO COCC(=O)NCCC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001159270429 793381849 /nfs/dbraw/zinc/38/18/49/793381849.db2.gz RZLDZDGGIHCUKI-ZDUSSCGKSA-N 1 0 341.412 -1.507 20 0 EAADRO CCN1C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC1=O ZINC001159270439 793381416 /nfs/dbraw/zinc/38/14/16/793381416.db2.gz SKJAIGAJAGXJMA-CYBMUJFWSA-N 1 0 340.424 -1.191 20 0 EAADRO CCN1C[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC1=O ZINC001159270440 793381694 /nfs/dbraw/zinc/38/16/94/793381694.db2.gz SKJAIGAJAGXJMA-ZDUSSCGKSA-N 1 0 340.424 -1.191 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNC(=O)COC ZINC001159270451 793381227 /nfs/dbraw/zinc/38/12/27/793381227.db2.gz SVVDUJAGNMWGSA-JTQLQIEISA-N 1 0 345.400 -1.921 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNC(=O)COC ZINC001159270452 793381876 /nfs/dbraw/zinc/38/18/76/793381876.db2.gz 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CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273694 793381825 /nfs/dbraw/zinc/38/18/25/793381825.db2.gz UJTPEYJQOBLNSP-XQQFMLRXSA-N 1 0 335.364 -1.217 20 0 EAADRO O=C(CN1CC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273715 793381757 /nfs/dbraw/zinc/38/17/57/793381757.db2.gz UUFAQSPEKQCFQA-KGLIPLIRSA-N 1 0 332.408 -1.202 20 0 EAADRO NC1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC[NH2+]CC1 ZINC001159273718 793380822 /nfs/dbraw/zinc/38/08/22/793380822.db2.gz UYLAXOASGQAZPX-OLZOCXBDSA-N 1 0 332.408 -1.027 20 0 EAADRO O=C(N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159273745 793381061 /nfs/dbraw/zinc/38/10/61/793381061.db2.gz VKZPRIOEWINCCS-LOUJCGABSA-N 1 0 344.419 -1.156 20 0 EAADRO O=C(N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159273746 793381742 /nfs/dbraw/zinc/38/17/42/793381742.db2.gz VKZPRIOEWINCCS-QDEZUTFSSA-N 1 0 344.419 -1.156 20 0 EAADRO O=C(N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@@]12C[NH2+]C[C@H]1CCN2 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C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O)c1nnnn1C ZINC001159302633 793382080 /nfs/dbraw/zinc/38/20/80/793382080.db2.gz KMCAWMPVFCWQTR-NXEZZACHSA-N 1 0 337.384 -1.096 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O)c1nnnn1C ZINC001159302634 793382294 /nfs/dbraw/zinc/38/22/94/793382294.db2.gz KMCAWMPVFCWQTR-UWVGGRQHSA-N 1 0 337.384 -1.096 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C)N1C(=O)CCC1=O ZINC001159302635 793382539 /nfs/dbraw/zinc/38/25/39/793382539.db2.gz KMCAWMPVFCWQTR-VHSXEESVSA-N 1 0 337.384 -1.096 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O)c1nnnn1C ZINC001159302636 793383000 /nfs/dbraw/zinc/38/30/00/793383000.db2.gz KMCAWMPVFCWQTR-ZJUUUORDSA-N 1 0 337.384 -1.096 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001159302678 793383061 /nfs/dbraw/zinc/38/30/61/793383061.db2.gz LQTLAZVHFMKJRU-SECBINFHSA-N 1 0 341.368 -1.925 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001159302679 793382487 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C[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)N1C(=O)CCC1=O ZINC001159303466 793382616 /nfs/dbraw/zinc/38/26/16/793382616.db2.gz ZCUVFKHLKIIBDC-JTQLQIEISA-N 1 0 333.410 -1.336 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)N1C(=O)CCC1=O ZINC001159303467 793382672 /nfs/dbraw/zinc/38/26/72/793382672.db2.gz ZCUVFKHLKIIBDC-SNVBAGLBSA-N 1 0 333.410 -1.336 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)NC(N)=O ZINC001159307020 793382255 /nfs/dbraw/zinc/38/22/55/793382255.db2.gz CARGPGWJCZCGRE-BDAKNGLRSA-N 1 0 341.368 -1.797 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)N1C(=O)CCC1=O ZINC001159307027 793382992 /nfs/dbraw/zinc/38/29/92/793382992.db2.gz CARGPGWJCZCGRE-DTWKUNHWSA-N 1 0 341.368 -1.797 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)NC(N)=O ZINC001159307030 793382287 /nfs/dbraw/zinc/38/22/87/793382287.db2.gz CARGPGWJCZCGRE-IUCAKERBSA-N 1 0 341.368 -1.797 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)NC(N)=O ZINC001159307033 793382765 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COCCOCC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159318366 793382499 /nfs/dbraw/zinc/38/24/99/793382499.db2.gz DZOSVEAQDPNPCP-UHFFFAOYSA-N 1 0 342.396 -1.694 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159318502 793382719 /nfs/dbraw/zinc/38/27/19/793382719.db2.gz GQLBBHXFSRIUIK-LLVKDONJSA-N 1 0 328.369 -2.350 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159318503 793383072 /nfs/dbraw/zinc/38/30/72/793383072.db2.gz GQLBBHXFSRIUIK-NSHDSACASA-N 1 0 328.369 -2.350 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)nn1C ZINC001159318522 793382359 /nfs/dbraw/zinc/38/23/59/793382359.db2.gz HRZGXVQBLMWRDQ-UHFFFAOYSA-N 1 0 348.407 -1.115 20 0 EAADRO Cc1cnc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)nc1 ZINC001159318567 793383035 /nfs/dbraw/zinc/38/30/35/793383035.db2.gz JVZFPLSPEHBSEV-UHFFFAOYSA-N 1 0 346.391 -1.058 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CCOCCO)c1=O ZINC001159319270 793382193 /nfs/dbraw/zinc/38/21/93/793382193.db2.gz XSVDTJQGIRKLFV-UHFFFAOYSA-N 1 0 328.369 -2.348 20 0 EAADRO Cn1cc(CC[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)cn1 ZINC001159321920 793382584 /nfs/dbraw/zinc/38/25/84/793382584.db2.gz BOASPWRYQVVXFM-UHFFFAOYSA-N 1 0 348.407 -1.381 20 0 EAADRO Cc1nnc([C@H](C)[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)[nH]1 ZINC001159321930 793382813 /nfs/dbraw/zinc/38/28/13/793382813.db2.gz CHHNTPGLQPQXTP-JTQLQIEISA-N 1 0 349.395 -1.169 20 0 EAADRO Cc1nnc([C@@H](C)[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)[nH]1 ZINC001159321931 793382035 /nfs/dbraw/zinc/38/20/35/793382035.db2.gz CHHNTPGLQPQXTP-SNVBAGLBSA-N 1 0 349.395 -1.169 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159321947 793382664 /nfs/dbraw/zinc/38/26/64/793382664.db2.gz CVRHZGDSFGDWAP-JTQLQIEISA-N 1 0 325.369 -2.223 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159321948 793382644 /nfs/dbraw/zinc/38/26/44/793382644.db2.gz CVRHZGDSFGDWAP-SNVBAGLBSA-N 1 0 325.369 -2.223 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC001159321949 793382525 /nfs/dbraw/zinc/38/25/25/793382525.db2.gz CWKFRQSPRKIGJI-UHFFFAOYSA-N 1 0 335.368 -2.028 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CCn2cccn2)c1=O ZINC001159321969 793383161 /nfs/dbraw/zinc/38/31/61/793383161.db2.gz DNBADXSMMIVXGF-UHFFFAOYSA-N 1 0 334.380 -1.460 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)nn1 ZINC001159322197 793382333 /nfs/dbraw/zinc/38/23/33/793382333.db2.gz FQPJBIWSROWBJD-UHFFFAOYSA-N 1 0 349.395 -1.546 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)N(C)C ZINC001159322208 793382124 /nfs/dbraw/zinc/38/21/24/793382124.db2.gz GHDAGQXIQKWNFL-LLVKDONJSA-N 1 0 339.396 -1.880 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)N(C)C ZINC001159322209 793383133 /nfs/dbraw/zinc/38/31/33/793383133.db2.gz GHDAGQXIQKWNFL-NSHDSACASA-N 1 0 339.396 -1.880 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)ncn1 ZINC001159322216 793382218 /nfs/dbraw/zinc/38/22/18/793382218.db2.gz GRJMLHJOHPCMMW-UHFFFAOYSA-N 1 0 346.391 -1.058 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)[nH]1 ZINC001159322224 793382944 /nfs/dbraw/zinc/38/29/44/793382944.db2.gz GYDBSJBCQGHBJT-UHFFFAOYSA-N 1 0 335.368 -1.730 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O)C(N)=O ZINC001159322258 793382592 /nfs/dbraw/zinc/38/25/92/793382592.db2.gz IRKXYNJNWWXWKW-JTQLQIEISA-N 1 0 325.369 -2.093 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O)C(N)=O ZINC001159322259 793382479 /nfs/dbraw/zinc/38/24/79/793382479.db2.gz IRKXYNJNWWXWKW-SNVBAGLBSA-N 1 0 325.369 -2.093 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322272 793382557 /nfs/dbraw/zinc/38/25/57/793382557.db2.gz JBOHUXMIPONLTO-UHFFFAOYSA-N 1 0 339.396 -1.831 20 0 EAADRO Cn1nccc1CC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322431 793382415 /nfs/dbraw/zinc/38/24/15/793382415.db2.gz MNQLUDRDQOXUER-UHFFFAOYSA-N 1 0 348.407 -1.381 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]Cc2cnns2)c1=O ZINC001159322451 793382845 /nfs/dbraw/zinc/38/28/45/793382845.db2.gz NICLIQVETFMDID-UHFFFAOYSA-N 1 0 338.393 -1.305 20 0 EAADRO Cc1nccnc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322712 793382384 /nfs/dbraw/zinc/38/23/84/793382384.db2.gz PYYPLKRFOSVUSB-UHFFFAOYSA-N 1 0 346.391 -1.058 20 0 EAADRO Cc1cnc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)cn1 ZINC001159322745 793382507 /nfs/dbraw/zinc/38/25/07/793382507.db2.gz RMDUOAGWYCNVBA-UHFFFAOYSA-N 1 0 346.391 -1.058 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1=O ZINC001159322758 793382434 /nfs/dbraw/zinc/38/24/34/793382434.db2.gz RVCXAFCZWNWOGD-UHFFFAOYSA-N 1 0 340.340 -3.162 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322764 793382932 /nfs/dbraw/zinc/38/29/32/793382932.db2.gz SAAPCNTUPOFABE-GFCCVEGCSA-N 1 0 326.397 -1.196 20 0 EAADRO C[C@H](O)CCC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322765 793382875 /nfs/dbraw/zinc/38/28/75/793382875.db2.gz SAAPCNTUPOFABE-LBPRGKRZSA-N 1 0 326.397 -1.196 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CCn2cncn2)c1=O ZINC001159322766 793383052 /nfs/dbraw/zinc/38/30/52/793383052.db2.gz SAKLVOXVAOTBRL-UHFFFAOYSA-N 1 0 335.368 -2.065 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159323104 793382350 /nfs/dbraw/zinc/38/23/50/793382350.db2.gz UUGWQTPBNXDOIS-UHFFFAOYSA-N 1 0 325.369 -2.269 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O)c1nncn1C ZINC001159323111 793382705 /nfs/dbraw/zinc/38/27/05/793382705.db2.gz UYUIOOAHITUDPS-LLVKDONJSA-N 1 0 349.395 -1.467 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O)c1nncn1C ZINC001159323112 793382159 /nfs/dbraw/zinc/38/21/59/793382159.db2.gz UYUIOOAHITUDPS-NSHDSACASA-N 1 0 349.395 -1.467 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)C1=O ZINC001159323135 793382209 /nfs/dbraw/zinc/38/22/09/793382209.db2.gz VTFRBEPAUHUIQK-LLVKDONJSA-N 1 0 337.380 -2.126 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)C1=O ZINC001159323136 793382463 /nfs/dbraw/zinc/38/24/63/793382463.db2.gz VTFRBEPAUHUIQK-NSHDSACASA-N 1 0 337.380 -2.126 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]Cc2nncs2)c1=O ZINC001159323141 793382726 /nfs/dbraw/zinc/38/27/26/793382726.db2.gz VZTLTIVMSDRRDK-UHFFFAOYSA-N 1 0 338.393 -1.305 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CCOCC(F)F)c1=O ZINC001159323154 793382633 /nfs/dbraw/zinc/38/26/33/793382633.db2.gz WWARESSXXZSNOC-UHFFFAOYSA-N 1 0 348.350 -1.075 20 0 EAADRO Cc1ncc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)cn1 ZINC001159323318 793382909 /nfs/dbraw/zinc/38/29/09/793382909.db2.gz ZXYUXMZNCRWDDZ-UHFFFAOYSA-N 1 0 346.391 -1.058 20 0 EAADRO Cn1cncc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327206 793382424 /nfs/dbraw/zinc/38/24/24/793382424.db2.gz AGTBHRZJAMXJFQ-UHFFFAOYSA-N 1 0 334.380 -1.423 20 0 EAADRO Cc1nonc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327255 793382975 /nfs/dbraw/zinc/38/29/75/793382975.db2.gz CHGRUKVTDYONDQ-UHFFFAOYSA-N 1 0 336.352 -1.465 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)c1=O ZINC001159327256 793383101 /nfs/dbraw/zinc/38/31/01/793383101.db2.gz CKZDRPZGZUPXLC-UHFFFAOYSA-N 1 0 346.409 -2.313 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327283 793383891 /nfs/dbraw/zinc/38/38/91/793383891.db2.gz DGBKZLSUTMVHCN-UHFFFAOYSA-N 1 0 348.407 -1.115 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CC(=O)N2CCC2)c1=O ZINC001159327343 793384165 /nfs/dbraw/zinc/38/41/65/793384165.db2.gz GNZDECIOLIUMHC-UHFFFAOYSA-N 1 0 337.380 -2.125 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327397 793384212 /nfs/dbraw/zinc/38/42/12/793384212.db2.gz IRNKSKSFKQFVLU-UHFFFAOYSA-N 1 0 325.369 -2.221 20 0 EAADRO Cc1ccnc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC001159327432 793383341 /nfs/dbraw/zinc/38/33/41/793383341.db2.gz JWDKKJPYFGNPPF-UHFFFAOYSA-N 1 0 346.391 -1.058 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327435 793383954 /nfs/dbraw/zinc/38/39/54/793383954.db2.gz JZNKDDRYIUMZJE-UHFFFAOYSA-N 1 0 336.356 -2.633 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327455 793384293 /nfs/dbraw/zinc/38/42/93/793384293.db2.gz KZIDKYLCXHKJKR-UHFFFAOYSA-N 1 0 339.396 -1.833 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]Cc2ncccn2)c1=O ZINC001159327466 793383761 /nfs/dbraw/zinc/38/37/61/793383761.db2.gz LHGSEFYNHKHGMB-UHFFFAOYSA-N 1 0 332.364 -1.367 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)cn1 ZINC001159327474 793384349 /nfs/dbraw/zinc/38/43/49/793384349.db2.gz LQOFOURERIOHML-UHFFFAOYSA-N 1 0 334.380 -1.423 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327764 793383777 /nfs/dbraw/zinc/38/37/77/793383777.db2.gz ORHPULUOLPESLK-UHFFFAOYSA-N 1 0 335.368 -2.028 20 0 EAADRO Cn1nccc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327773 793383672 /nfs/dbraw/zinc/38/36/72/793383672.db2.gz OZNKZLCDBTZOOE-UHFFFAOYSA-N 1 0 334.380 -1.423 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327796 793383411 /nfs/dbraw/zinc/38/34/11/793383411.db2.gz PRDNHOPWMNIBHJ-UHFFFAOYSA-N 1 0 335.368 -2.028 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159328237 793384314 /nfs/dbraw/zinc/38/43/14/793384314.db2.gz RFSQRBGJWRKVDH-UHFFFAOYSA-N 1 0 335.368 -2.028 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)CCCN1C(=O)CCC1=O ZINC001159328254 793383223 /nfs/dbraw/zinc/38/32/23/793383223.db2.gz RQLMRYDKLOFCGZ-UHFFFAOYSA-N 1 0 337.384 -1.265 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159328282 793383711 /nfs/dbraw/zinc/38/37/11/793383711.db2.gz SGHFBMKKPWCIAK-UHFFFAOYSA-N 1 0 349.395 -1.546 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159328644 793383743 /nfs/dbraw/zinc/38/37/43/793383743.db2.gz VBKVMWSUWJGZRT-UHFFFAOYSA-N 1 0 339.396 -1.879 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC001159328658 793384302 /nfs/dbraw/zinc/38/43/02/793384302.db2.gz VJXXMKURIGSVPG-UHFFFAOYSA-N 1 0 349.395 -1.546 20 0 EAADRO Cn1ccnc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159328703 793384230 /nfs/dbraw/zinc/38/42/30/793384230.db2.gz WHDZMFCHLSYLCZ-UHFFFAOYSA-N 1 0 334.380 -1.423 20 0 EAADRO Cn1ccc(C[NH2+]CCCNC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC001159328719 793383811 /nfs/dbraw/zinc/38/38/11/793383811.db2.gz WOVOJPXGMFVQFT-UHFFFAOYSA-N 1 0 334.380 -1.423 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCCC[NH2+]CC(=O)NC2CC2)c1=O ZINC001159328730 793384358 /nfs/dbraw/zinc/38/43/58/793384358.db2.gz WZHRLDYEOVZJLX-UHFFFAOYSA-N 1 0 337.380 -2.079 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159328741 793384097 /nfs/dbraw/zinc/38/40/97/793384097.db2.gz XHSPGWYLOJGDRI-UHFFFAOYSA-N 1 0 349.395 -1.546 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001159334996 793383921 /nfs/dbraw/zinc/38/39/21/793383921.db2.gz OBSHGGZYOHZNNZ-UHFFFAOYSA-N 1 0 329.401 -1.694 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001159335114 793383933 /nfs/dbraw/zinc/38/39/33/793383933.db2.gz RZPOCHZWLJJPLV-UHFFFAOYSA-N 1 0 326.357 -1.054 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159335185 793383753 /nfs/dbraw/zinc/38/37/53/793383753.db2.gz 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/nfs/dbraw/zinc/38/42/54/793384254.db2.gz GEURBGWFVHLQKL-SNVBAGLBSA-N 1 0 337.384 -1.172 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001159341021 793383692 /nfs/dbraw/zinc/38/36/92/793383692.db2.gz HJVKFZVTQYBKNS-UHFFFAOYSA-N 1 0 325.373 -1.667 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001159341057 793383989 /nfs/dbraw/zinc/38/39/89/793383989.db2.gz IOTPFVBMQXYQBO-UHFFFAOYSA-N 1 0 343.413 -1.190 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001159341060 793384296 /nfs/dbraw/zinc/38/42/96/793384296.db2.gz IPAFIKDJJKOSDJ-LLVKDONJSA-N 1 0 329.401 -1.694 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001159341062 793383456 /nfs/dbraw/zinc/38/34/56/793383456.db2.gz IPAFIKDJJKOSDJ-NSHDSACASA-N 1 0 329.401 -1.694 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159341077 793384288 /nfs/dbraw/zinc/38/42/88/793384288.db2.gz JBXRSORBWQDRDS-UHFFFAOYSA-N 1 0 328.373 -3.030 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O 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CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159341327 793383619 /nfs/dbraw/zinc/38/36/19/793383619.db2.gz SHKVNLIWYLCDIF-UHFFFAOYSA-N 1 0 337.446 -1.659 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001159341369 787268624 /nfs/dbraw/zinc/26/86/24/787268624.db2.gz UMQXMULEQLZMMU-UHFFFAOYSA-N 1 0 334.442 -1.164 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001159341371 793383901 /nfs/dbraw/zinc/38/39/01/793383901.db2.gz UNZCMMLDHFHLJO-UHFFFAOYSA-N 1 0 329.386 -1.499 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001159341387 793383585 /nfs/dbraw/zinc/38/35/85/793383585.db2.gz VBPJISWRSSLMGK-UHFFFAOYSA-N 1 0 326.405 -1.047 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001159341504 793383789 /nfs/dbraw/zinc/38/37/89/793383789.db2.gz ZHAZKUKBZXFJGV-UHFFFAOYSA-N 1 0 334.442 -1.164 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001159341508 793384216 /nfs/dbraw/zinc/38/42/16/793384216.db2.gz ZMFXWKFSPSZOIG-UHFFFAOYSA-N 1 0 328.373 -2.001 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001159346398 793384205 /nfs/dbraw/zinc/38/42/05/793384205.db2.gz BEJUYJGKOISPCR-LLVKDONJSA-N 1 0 349.457 -1.707 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001159346399 793383808 /nfs/dbraw/zinc/38/38/08/793383808.db2.gz BEJUYJGKOISPCR-NSHDSACASA-N 1 0 349.457 -1.707 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001159346401 793383640 /nfs/dbraw/zinc/38/36/40/793383640.db2.gz BNOVYZSMCJCTJD-SECBINFHSA-N 1 0 344.334 -1.049 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001159346402 793384149 /nfs/dbraw/zinc/38/41/49/793384149.db2.gz BNOVYZSMCJCTJD-VIFPVBQESA-N 1 0 344.334 -1.049 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001159346446 793383577 /nfs/dbraw/zinc/38/35/77/793383577.db2.gz DGXAGLOMYVAACB-LLVKDONJSA-N 1 0 334.442 -1.164 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001159346447 793383465 /nfs/dbraw/zinc/38/34/65/793383465.db2.gz DGXAGLOMYVAACB-NSHDSACASA-N 1 0 334.442 -1.164 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001159346536 793384329 /nfs/dbraw/zinc/38/43/29/793384329.db2.gz JMZKDXUBSRMKFD-NEPJUHHUSA-N 1 0 334.417 -1.576 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001159346537 793383372 /nfs/dbraw/zinc/38/33/72/793383372.db2.gz JMZKDXUBSRMKFD-NWDGAFQWSA-N 1 0 334.417 -1.576 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001159346538 793384087 /nfs/dbraw/zinc/38/40/87/793384087.db2.gz JMZKDXUBSRMKFD-RYUDHWBXSA-N 1 0 334.417 -1.576 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001159346539 793383364 /nfs/dbraw/zinc/38/33/64/793383364.db2.gz JMZKDXUBSRMKFD-VXGBXAGGSA-N 1 0 334.417 -1.576 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001159346609 793383606 /nfs/dbraw/zinc/38/36/06/793383606.db2.gz NDFMGEZBTHCIQS-UHFFFAOYSA-N 1 0 340.432 -1.005 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001159355317 793383511 /nfs/dbraw/zinc/38/35/11/793383511.db2.gz BROLMXSHHHIPSH-SECBINFHSA-N 1 0 342.400 -1.612 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001159355318 793384154 /nfs/dbraw/zinc/38/41/54/793384154.db2.gz BROLMXSHHHIPSH-VIFPVBQESA-N 1 0 342.400 -1.612 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159355324 793384375 /nfs/dbraw/zinc/38/43/75/793384375.db2.gz BWAMGWAEYCJOLV-UHFFFAOYSA-N 1 0 344.416 -1.363 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001159355330 793383734 /nfs/dbraw/zinc/38/37/34/793383734.db2.gz CHJRJBJXGQMEBW-LLVKDONJSA-N 1 0 329.401 -1.836 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001159355331 793383531 /nfs/dbraw/zinc/38/35/31/793383531.db2.gz CHJRJBJXGQMEBW-NSHDSACASA-N 1 0 329.401 -1.836 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001159355376 793383378 /nfs/dbraw/zinc/38/33/78/793383378.db2.gz DQZNEADMCKAAEV-CHWSQXEVSA-N 1 0 346.428 -1.432 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001159355377 793383449 /nfs/dbraw/zinc/38/34/49/793383449.db2.gz DQZNEADMCKAAEV-OLZOCXBDSA-N 1 0 346.428 -1.432 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001159355378 793384140 /nfs/dbraw/zinc/38/41/40/793384140.db2.gz DQZNEADMCKAAEV-QWHCGFSZSA-N 1 0 346.428 -1.432 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001159355379 793383946 /nfs/dbraw/zinc/38/39/46/793383946.db2.gz DQZNEADMCKAAEV-STQMWFEESA-N 1 0 346.428 -1.432 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001159355497 793384181 /nfs/dbraw/zinc/38/41/81/793384181.db2.gz FDJQMEOVRCJWQS-GFCCVEGCSA-N 1 0 346.428 -1.432 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001159355498 793383522 /nfs/dbraw/zinc/38/35/22/793383522.db2.gz FDJQMEOVRCJWQS-LBPRGKRZSA-N 1 0 346.428 -1.432 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC001159355506 793383874 /nfs/dbraw/zinc/38/38/74/793383874.db2.gz FOAZSVMTOIXJHF-UHFFFAOYSA-N 1 0 339.400 -1.010 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001159355529 793383436 /nfs/dbraw/zinc/38/34/36/793383436.db2.gz GITBUSWOLZHOLT-RYUDHWBXSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001159355530 793384077 /nfs/dbraw/zinc/38/40/77/793384077.db2.gz GITBUSWOLZHOLT-TXEJJXNPSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001159355531 793384198 /nfs/dbraw/zinc/38/41/98/793384198.db2.gz GITBUSWOLZHOLT-VXGBXAGGSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001159355534 793384264 /nfs/dbraw/zinc/38/42/64/793384264.db2.gz GKFQGBAVMYWFQK-NEPJUHHUSA-N 1 0 343.428 -1.305 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001159355535 793384367 /nfs/dbraw/zinc/38/43/67/793384367.db2.gz GKFQGBAVMYWFQK-NWDGAFQWSA-N 1 0 343.428 -1.305 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001159355536 793383254 /nfs/dbraw/zinc/38/32/54/793383254.db2.gz GKFQGBAVMYWFQK-RYUDHWBXSA-N 1 0 343.428 -1.305 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001159355537 793383302 /nfs/dbraw/zinc/38/33/02/793383302.db2.gz GKFQGBAVMYWFQK-VXGBXAGGSA-N 1 0 343.428 -1.305 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001159355568 793383427 /nfs/dbraw/zinc/38/34/27/793383427.db2.gz HXQGVECPNMBTLL-UHFFFAOYSA-N 1 0 340.384 -2.391 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001159355637 793383703 /nfs/dbraw/zinc/38/37/03/793383703.db2.gz JCRYCVHJMNQIMO-UHFFFAOYSA-N 1 0 344.416 -1.364 20 0 EAADRO CNC(=O)NCC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001159355725 793384192 /nfs/dbraw/zinc/38/41/92/793384192.db2.gz LYPJUWRUMSDRIB-UHFFFAOYSA-N 1 0 337.446 -1.707 20 0 EAADRO CCCCn1nnnc1C[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159355743 793384064 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EAADRO O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515259 793388039 /nfs/dbraw/zinc/38/80/39/793388039.db2.gz RDZJAEMZGGFHBD-BXUZGUMPSA-N 1 0 331.380 -1.165 20 0 EAADRO O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515262 793389158 /nfs/dbraw/zinc/38/91/58/793389158.db2.gz RDZJAEMZGGFHBD-FZMZJTMJSA-N 1 0 331.380 -1.165 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515263 793388183 /nfs/dbraw/zinc/38/81/83/793388183.db2.gz RDZJAEMZGGFHBD-RISCZKNCSA-N 1 0 331.380 -1.165 20 0 EAADRO O=C([C@H]1C[NH2+]C[C@H]1O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515265 793388381 /nfs/dbraw/zinc/38/83/81/793388381.db2.gz RDZJAEMZGGFHBD-SMDDNHRTSA-N 1 0 331.380 -1.165 20 0 EAADRO N[C@@]1(C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)CC[NH2+]C1 ZINC001159515586 793388846 /nfs/dbraw/zinc/38/88/46/793388846.db2.gz UJPQDSZCFBXORD-HNNXBMFYSA-N 1 0 330.396 -1.054 20 0 EAADRO N[C@]1(C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)CC[NH2+]C1 ZINC001159515587 793388233 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CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001159519649 793388032 /nfs/dbraw/zinc/38/80/32/793388032.db2.gz LCJPZWWLQHAVHW-OAHLLOKOSA-N 1 0 335.412 -1.321 20 0 EAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159519806 793387569 /nfs/dbraw/zinc/38/75/69/793387569.db2.gz NDTGMSVAAGQPDO-NEPJUHHUSA-N 1 0 336.396 -1.431 20 0 EAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001159519807 793388368 /nfs/dbraw/zinc/38/83/68/793388368.db2.gz NDTGMSVAAGQPDO-NWDGAFQWSA-N 1 0 336.396 -1.431 20 0 EAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159519808 793387522 /nfs/dbraw/zinc/38/75/22/793387522.db2.gz NDTGMSVAAGQPDO-RYUDHWBXSA-N 1 0 336.396 -1.431 20 0 EAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001159519809 793387476 /nfs/dbraw/zinc/38/74/76/793387476.db2.gz NDTGMSVAAGQPDO-VXGBXAGGSA-N 1 0 336.396 -1.431 20 0 EAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159519875 793387840 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-1.465 20 0 EAADRO O=C(CCc1c[nH]cn1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159537026 793388281 /nfs/dbraw/zinc/38/82/81/793388281.db2.gz GEXJPXGZFQDSSI-UHFFFAOYSA-N 1 0 336.396 -1.603 20 0 EAADRO COCCC1(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001159573280 793388326 /nfs/dbraw/zinc/38/83/26/793388326.db2.gz WRHGAHBMNUKZCN-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO CC[C@H]1N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CCC[C@]12CCC(=O)N2 ZINC001159594030 793387878 /nfs/dbraw/zinc/38/78/78/793387878.db2.gz JVOHJNWCEBTHHI-OVZMXSCWSA-N 1 0 340.424 -1.140 20 0 EAADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cc(C[NH3+])ncn1)C(=O)[O-] ZINC001159597922 793387602 /nfs/dbraw/zinc/38/76/02/793387602.db2.gz RRBBJNMLMHBATF-NSHDSACASA-N 1 0 333.352 -1.418 20 0 EAADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ncnc2c1C[NH2+]C2)C(=O)[O-] ZINC001159598015 793388832 /nfs/dbraw/zinc/38/88/32/793388832.db2.gz TYTDZEXVRNXPFQ-NSHDSACASA-N 1 0 345.363 -1.274 20 0 EAADRO Cc1c(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)cnn1C ZINC001159598897 787321185 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KUHXSZVCGDGDBE-MEBFFEOJSA-N 1 0 339.392 -1.121 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159624566 793388137 /nfs/dbraw/zinc/38/81/37/793388137.db2.gz KUHXSZVCGDGDBE-RKQHYHRCSA-N 1 0 339.392 -1.121 20 0 EAADRO O=C([C@H]1C[NH2+]C[C@H]1O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159624567 793387849 /nfs/dbraw/zinc/38/78/49/793387849.db2.gz KUHXSZVCGDGDBE-RYMFRWLXSA-N 1 0 339.392 -1.121 20 0 EAADRO O=C([C@H]1C[NH2+]CCN1)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159624568 793388175 /nfs/dbraw/zinc/38/81/75/793388175.db2.gz KXUDQHOJSRCWIH-AAVRWANBSA-N 1 0 338.408 -1.140 20 0 EAADRO O=C([C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH2+]CCN2)O1)N1CCCO1 ZINC001159624569 793387457 /nfs/dbraw/zinc/38/74/57/793387457.db2.gz KXUDQHOJSRCWIH-REWJHTLYSA-N 1 0 338.408 -1.140 20 0 EAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625063 793388056 /nfs/dbraw/zinc/38/80/56/793388056.db2.gz QNKDKLDKEVHMAA-ODXJTPSBSA-N 1 0 338.408 -1.155 20 0 EAADRO N[C@]1(C(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CC[NH2+]C1 ZINC001159625091 793388981 /nfs/dbraw/zinc/38/89/81/793388981.db2.gz QUMZVHWAFMLAQH-BRXULGCHSA-N 1 0 338.408 -1.010 20 0 EAADRO N[C@@]1(C(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CC[NH2+]C1 ZINC001159625092 793388453 /nfs/dbraw/zinc/38/84/53/793388453.db2.gz QUMZVHWAFMLAQH-JXFSHQFZSA-N 1 0 338.408 -1.010 20 0 EAADRO [NH3+][C@@H]1CN[C@H](C(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)C1 ZINC001159625683 793387643 /nfs/dbraw/zinc/38/76/43/793387643.db2.gz YZGSDLZEHIWSEP-ODXJTPSBSA-N 1 0 338.408 -1.012 20 0 EAADRO [NH3+][C@H]1CN[C@H](C(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)C1 ZINC001159625684 793388114 /nfs/dbraw/zinc/38/81/14/793388114.db2.gz YZGSDLZEHIWSEP-XVIXHAIJSA-N 1 0 338.408 -1.012 20 0 EAADRO N[C@@H](C[NH3+])C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633585 793388925 /nfs/dbraw/zinc/38/89/25/793388925.db2.gz OBJXXCVWHNDOGK-LBPRGKRZSA-N 1 0 331.380 -1.494 20 0 EAADRO N[C@@H](CC[NH3+])C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633600 793387491 /nfs/dbraw/zinc/38/74/91/793387491.db2.gz OMEKHCYAALUHIF-ZDUSSCGKSA-N 1 0 345.407 -1.104 20 0 EAADRO [NH3+]CCNCC(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159634113 793388259 /nfs/dbraw/zinc/38/82/59/793388259.db2.gz VOJKEJIPVWECIC-UHFFFAOYSA-N 1 0 345.407 -1.231 20 0 EAADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC001159634323 793387860 /nfs/dbraw/zinc/38/78/60/793387860.db2.gz AWGVIDWAFSIRPE-FRRDWIJNSA-N 1 0 326.397 -1.137 20 0 EAADRO [NH3+]C[C@H](O)CC(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159635422 793388804 /nfs/dbraw/zinc/38/88/04/793388804.db2.gz NRABYLOXDFKHKX-CYBMUJFWSA-N 1 0 346.391 -1.070 20 0 EAADRO [NH3+]C[C@@H](O)CC(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159635423 793387530 /nfs/dbraw/zinc/38/75/30/793387530.db2.gz NRABYLOXDFKHKX-ZDUSSCGKSA-N 1 0 346.391 -1.070 20 0 EAADRO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001159637147 793387573 /nfs/dbraw/zinc/38/75/73/793387573.db2.gz XMSCXVSLGJJHEO-BCUIYNNISA-N 1 0 343.424 -1.145 20 0 EAADRO COC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001159637148 793387732 /nfs/dbraw/zinc/38/77/32/793387732.db2.gz XMSCXVSLGJJHEO-JFILPPLUSA-N 1 0 343.424 -1.145 20 0 EAADRO COC[C@@]12CCCO[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001159637149 793389001 /nfs/dbraw/zinc/38/90/01/793389001.db2.gz XMSCXVSLGJJHEO-QCQGSNGOSA-N 1 0 343.424 -1.145 20 0 EAADRO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001159637150 793387507 /nfs/dbraw/zinc/38/75/07/793387507.db2.gz XMSCXVSLGJJHEO-WFGGJUAMSA-N 1 0 343.424 -1.145 20 0 EAADRO NC(=O)CC(=O)NCCC1=CC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC001159646686 793388461 /nfs/dbraw/zinc/38/84/61/793388461.db2.gz LVBPUBFQFAZCGQ-UHFFFAOYSA-N 1 0 337.380 -1.448 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+]1CC=C(CCNC(=O)CC(N)=O)CC1 ZINC001159646730 793389020 /nfs/dbraw/zinc/38/90/20/793389020.db2.gz NVBYJSBNXBOUQR-SECBINFHSA-N 1 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793390015 /nfs/dbraw/zinc/39/00/15/793390015.db2.gz JJRUMDPPVWYPQH-UHFFFAOYSA-N 1 0 346.453 -1.108 20 0 EAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159679947 793389943 /nfs/dbraw/zinc/38/99/43/793389943.db2.gz FKQRFVNXDUJYCA-GMSGAONNSA-N 1 0 330.366 -1.492 20 0 EAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159679949 793390052 /nfs/dbraw/zinc/39/00/52/793390052.db2.gz FKQRFVNXDUJYCA-OIBJUYFYSA-N 1 0 330.366 -1.492 20 0 EAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159679951 793389324 /nfs/dbraw/zinc/38/93/24/793389324.db2.gz FKQRFVNXDUJYCA-XCBNKYQSSA-N 1 0 330.366 -1.492 20 0 EAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159679955 793389453 /nfs/dbraw/zinc/38/94/53/793389453.db2.gz FKQRFVNXDUJYCA-XVKPBYJWSA-N 1 0 330.366 -1.492 20 0 EAADRO COc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc(N2CCn3ccnc3C2)n1 ZINC001159681827 793389982 /nfs/dbraw/zinc/38/99/82/793389982.db2.gz GUHAYPSIWRSOLI-GHMZBOCLSA-N 1 0 346.395 -1.489 20 0 EAADRO COc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)nc(N2CCn3ccnc3C2)n1 ZINC001159681831 793390120 /nfs/dbraw/zinc/39/01/20/793390120.db2.gz GUHAYPSIWRSOLI-MNOVXSKESA-N 1 0 346.395 -1.489 20 0 EAADRO COc1nc(N[C@H]2C[NH2+]C[C@H]2CO)nc(N2CCn3ccnc3C2)n1 ZINC001159681833 793389511 /nfs/dbraw/zinc/38/95/11/793389511.db2.gz GUHAYPSIWRSOLI-QWRGUYRKSA-N 1 0 346.395 -1.489 20 0 EAADRO COc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)nc(N2CCn3ccnc3C2)n1 ZINC001159681835 793389891 /nfs/dbraw/zinc/38/98/91/793389891.db2.gz GUHAYPSIWRSOLI-WDEREUQCSA-N 1 0 346.395 -1.489 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCn1ccnn1 ZINC001159686734 793390216 /nfs/dbraw/zinc/39/02/16/793390216.db2.gz VLYSSUWBMKXRKX-UHFFFAOYSA-N 1 0 325.373 -1.390 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCn1ccnn1 ZINC001159686744 793389848 /nfs/dbraw/zinc/38/98/48/793389848.db2.gz VRCHXSOVWZOLJI-UHFFFAOYSA-N 1 0 339.400 -1.000 20 0 EAADRO COC[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159687030 793389227 /nfs/dbraw/zinc/38/92/27/793389227.db2.gz ZYVGTSZBDACSNS-CHWSQXEVSA-N 1 0 342.440 -1.041 20 0 EAADRO COC[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159687032 793389531 /nfs/dbraw/zinc/38/95/31/793389531.db2.gz ZYVGTSZBDACSNS-OLZOCXBDSA-N 1 0 342.440 -1.041 20 0 EAADRO COC[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159687035 793390391 /nfs/dbraw/zinc/39/03/91/793390391.db2.gz ZYVGTSZBDACSNS-QWHCGFSZSA-N 1 0 342.440 -1.041 20 0 EAADRO COC[C@H](C)[C@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159687038 793389605 /nfs/dbraw/zinc/38/96/05/793389605.db2.gz ZYVGTSZBDACSNS-STQMWFEESA-N 1 0 342.440 -1.041 20 0 EAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159688519 793389991 /nfs/dbraw/zinc/38/99/91/793389991.db2.gz SNDZFUUVGNBVHI-JZLYGMAVSA-N 1 0 334.420 -1.070 20 0 EAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159688520 793390378 /nfs/dbraw/zinc/39/03/78/793390378.db2.gz SNDZFUUVGNBVHI-UIORMTCPSA-N 1 0 334.420 -1.070 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159697940 793390182 /nfs/dbraw/zinc/39/01/82/793390182.db2.gz PXKAJQZVGYOCFS-IRDPIATMSA-N 1 0 338.408 -1.576 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCCn1ccnn1)C(=O)NC(N)=O ZINC001159702465 793389836 /nfs/dbraw/zinc/38/98/36/793389836.db2.gz APLIKLRYTHUBHA-JTQLQIEISA-N 1 0 325.373 -1.262 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCCn1ccnn1)C(=O)NC(N)=O ZINC001159702466 793390346 /nfs/dbraw/zinc/39/03/46/793390346.db2.gz APLIKLRYTHUBHA-SNVBAGLBSA-N 1 0 325.373 -1.262 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCCn1ccnn1 ZINC001159702559 793389882 /nfs/dbraw/zinc/38/98/82/793389882.db2.gz GHIPNGQGUSUODY-UHFFFAOYSA-N 1 0 332.430 -1.297 20 0 EAADRO O=C(CCCn1ccnn1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159702563 793389816 /nfs/dbraw/zinc/38/98/16/793389816.db2.gz GJHLJMGUSIJPBN-UHFFFAOYSA-N 1 0 337.384 -1.294 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCn1ccnn1 ZINC001159703019 793390275 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UIKNCNUXFZRLDY-YXCITZCRSA-N 1 0 348.407 -1.502 20 0 EAADRO Cn1cnc2[nH]c(=O)cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c21 ZINC001159716263 793389862 /nfs/dbraw/zinc/38/98/62/793389862.db2.gz UXGRUUWHRLFLNK-UHFFFAOYSA-N 1 0 349.351 -1.422 20 0 EAADRO CO[C@@H]1COCC[C@@H]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159725933 793390209 /nfs/dbraw/zinc/39/02/09/793390209.db2.gz GRNFZDHZSICJIV-GHMZBOCLSA-N 1 0 330.385 -1.281 20 0 EAADRO CO[C@H]1COCC[C@@H]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159725934 793389660 /nfs/dbraw/zinc/38/96/60/793389660.db2.gz GRNFZDHZSICJIV-MNOVXSKESA-N 1 0 330.385 -1.281 20 0 EAADRO CO[C@H]1COCC[C@H]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159725935 793389826 /nfs/dbraw/zinc/38/98/26/793389826.db2.gz GRNFZDHZSICJIV-QWRGUYRKSA-N 1 0 330.385 -1.281 20 0 EAADRO CO[C@@H]1COCC[C@H]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159725936 793389873 /nfs/dbraw/zinc/38/98/73/793389873.db2.gz GRNFZDHZSICJIV-WDEREUQCSA-N 1 0 330.385 -1.281 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCOC[C@@H]1OC ZINC001159726398 793389959 /nfs/dbraw/zinc/38/99/59/793389959.db2.gz LAMPITHRYHDHQH-NEPJUHHUSA-N 1 0 344.412 -1.021 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001159726400 793390257 /nfs/dbraw/zinc/39/02/57/793390257.db2.gz LAMPITHRYHDHQH-NWDGAFQWSA-N 1 0 344.412 -1.021 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001159726402 793389593 /nfs/dbraw/zinc/38/95/93/793389593.db2.gz LAMPITHRYHDHQH-RYUDHWBXSA-N 1 0 344.412 -1.021 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCOC[C@H]1OC ZINC001159726404 793389637 /nfs/dbraw/zinc/38/96/37/793389637.db2.gz LAMPITHRYHDHQH-VXGBXAGGSA-N 1 0 344.412 -1.021 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001159734538 793390223 /nfs/dbraw/zinc/39/02/23/793390223.db2.gz DOVPUWFVMRAHCF-JTQLQIEISA-N 1 0 334.380 -1.128 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001159734539 793390239 /nfs/dbraw/zinc/39/02/39/793390239.db2.gz DOVPUWFVMRAHCF-SNVBAGLBSA-N 1 0 334.380 -1.128 20 0 EAADRO N[C@@H](C[NH3+])C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159736535 793389725 /nfs/dbraw/zinc/38/97/25/793389725.db2.gz FOPFHZLBTRRYAK-WWGRRREGSA-N 1 0 340.424 -1.614 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccnc2ccnn21 ZINC001159747918 793390263 /nfs/dbraw/zinc/39/02/63/793390263.db2.gz PRZSEWOQVFIZHA-UHFFFAOYSA-N 1 0 333.352 -1.106 20 0 EAADRO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]4C[NH2+]CCN4)C3)CC2=O)cn1 ZINC001159750030 793389948 /nfs/dbraw/zinc/38/99/48/793389948.db2.gz IEHACRRSXHJGQR-BBRMVZONSA-N 1 0 332.408 -1.063 20 0 EAADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4C[NH2+]CCN4)C3)CC2=O)cn1 ZINC001159750031 793389253 /nfs/dbraw/zinc/38/92/53/793389253.db2.gz IEHACRRSXHJGQR-XJKSGUPXSA-N 1 0 332.408 -1.063 20 0 EAADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4C[NH2+]C[C@@H]4O)C3)CC2=O)cn1 ZINC001159751550 793390157 /nfs/dbraw/zinc/39/01/57/793390157.db2.gz RWCSBNDSBIULLM-DVOMOZLQSA-N 1 0 333.392 -1.044 20 0 EAADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@H]4C[NH2+]C[C@@H]4O)C3)CC2=O)cn1 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CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C2 ZINC001160171050 793396667 /nfs/dbraw/zinc/39/66/67/793396667.db2.gz GCYVJWDOARESEL-WFASDCNBSA-N 1 0 334.380 -1.771 20 0 EAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)C2 ZINC001160171060 793398993 /nfs/dbraw/zinc/39/89/93/793398993.db2.gz GIGOIQLMMBBPFK-BCUIYNNISA-N 1 0 335.408 -2.114 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)C2 ZINC001160171061 793398860 /nfs/dbraw/zinc/39/88/60/793398860.db2.gz GIGOIQLMMBBPFK-JFILPPLUSA-N 1 0 335.408 -2.114 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001160171123 793398460 /nfs/dbraw/zinc/39/84/60/793398460.db2.gz HYHWJOBOGQCXQE-KCXAZCMYSA-N 1 0 335.408 -2.113 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001160171124 793398777 /nfs/dbraw/zinc/39/87/77/793398777.db2.gz HYHWJOBOGQCXQE-RCBQFDQVSA-N 1 0 335.408 -2.113 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001160171125 793399231 /nfs/dbraw/zinc/39/92/31/793399231.db2.gz HYHWJOBOGQCXQE-UHOFOFEASA-N 1 0 335.408 -2.113 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001160171126 793398376 /nfs/dbraw/zinc/39/83/76/793398376.db2.gz HYHWJOBOGQCXQE-VBNZEHGJSA-N 1 0 335.408 -2.113 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001160171538 793398280 /nfs/dbraw/zinc/39/82/80/793398280.db2.gz NWNXNIFQGMSHKL-BBRMVZONSA-N 1 0 348.407 -1.761 20 0 EAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001160171539 793398517 /nfs/dbraw/zinc/39/85/17/793398517.db2.gz NWNXNIFQGMSHKL-XJKSGUPXSA-N 1 0 348.407 -1.761 20 0 EAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001160171584 793398823 /nfs/dbraw/zinc/39/88/23/793398823.db2.gz PAZJEIJRMVCWER-FZMZJTMJSA-N 1 0 326.353 -2.174 20 0 EAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001160171585 793398792 /nfs/dbraw/zinc/39/87/92/793398792.db2.gz PAZJEIJRMVCWER-SMDDNHRTSA-N 1 0 326.353 -2.174 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccon1 ZINC001160171781 793398446 /nfs/dbraw/zinc/39/84/46/793398446.db2.gz AHEXEKYHNFPWPG-QMMMGPOBSA-N 1 0 338.324 -1.693 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001160171791 793398537 /nfs/dbraw/zinc/39/85/37/793398537.db2.gz ARESUANTOHSPLZ-NSHDSACASA-N 1 0 339.396 -1.309 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001160171814 793399225 /nfs/dbraw/zinc/39/92/25/793399225.db2.gz BNHZVMJEKNJFFW-SFYZADRCSA-N 1 0 325.325 -2.514 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001160171815 793398494 /nfs/dbraw/zinc/39/84/94/793398494.db2.gz BNHZVMJEKNJFFW-YUMQZZPRSA-N 1 0 325.325 -2.514 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O)S(C)(=O)=O ZINC001160171846 793399334 /nfs/dbraw/zinc/39/93/34/793399334.db2.gz DCUKUKUVTQOPIT-VIFPVBQESA-N 1 0 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336.352 -1.321 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001160172217 793399115 /nfs/dbraw/zinc/39/91/15/793399115.db2.gz LGNFSDCHTBGXLI-JTQLQIEISA-N 1 0 325.369 -1.793 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001160172218 793398253 /nfs/dbraw/zinc/39/82/53/793398253.db2.gz LKQJBAQQRFDSAS-UWVGGRQHSA-N 1 0 335.368 -1.541 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001160172219 793399058 /nfs/dbraw/zinc/39/90/58/793399058.db2.gz LKQJBAQQRFDSAS-ZJUUUORDSA-N 1 0 335.368 -1.541 20 0 EAADRO CN1CCC[C@H]([NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001160172230 793399208 /nfs/dbraw/zinc/39/92/08/793399208.db2.gz LVRWGJBXHQINLO-UWVGGRQHSA-N 1 0 325.369 -1.699 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001160172233 793398507 /nfs/dbraw/zinc/39/85/07/793398507.db2.gz LVRWGJBXHQINLO-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001160172279 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O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001160172695 793399016 /nfs/dbraw/zinc/39/90/16/793399016.db2.gz QJFAEXATLIIOBE-MNOVXSKESA-N 1 0 339.396 -1.403 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001160172696 793398547 /nfs/dbraw/zinc/39/85/47/793398547.db2.gz QJFAEXATLIIOBE-QWRGUYRKSA-N 1 0 339.396 -1.403 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160172700 793398480 /nfs/dbraw/zinc/39/84/80/793398480.db2.gz QQMMSNVNWYTHOF-JTQLQIEISA-N 1 0 327.385 -1.547 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160172708 793398436 /nfs/dbraw/zinc/39/84/36/793398436.db2.gz RFROFOKZEHORHJ-NEPJUHHUSA-N 1 0 344.412 -1.286 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160172709 793398408 /nfs/dbraw/zinc/39/84/08/793398408.db2.gz RFROFOKZEHORHJ-RYUDHWBXSA-N 1 0 344.412 -1.286 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001160172711 793399436 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EAADRO O=C([C@H]1C[NH2+]CCN1)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193612 793399675 /nfs/dbraw/zinc/39/96/75/793399675.db2.gz QCJHCXMXHLVRNL-GFCCVEGCSA-N 1 0 330.396 -1.183 20 0 EAADRO O=C([C@@H]1C[NH2+]CCN1)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193613 793399884 /nfs/dbraw/zinc/39/98/84/793399884.db2.gz QCJHCXMXHLVRNL-LBPRGKRZSA-N 1 0 330.396 -1.183 20 0 EAADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193619 793400736 /nfs/dbraw/zinc/40/07/36/793400736.db2.gz QKYZKLCHEQSBDI-VXGBXAGGSA-N 1 0 331.380 -1.022 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160194313 793400339 /nfs/dbraw/zinc/40/03/39/793400339.db2.gz WJOJWEKPIKCSFN-FZMZJTMJSA-N 1 0 331.380 -1.022 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@H]1O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160194314 793400352 /nfs/dbraw/zinc/40/03/52/793400352.db2.gz WJOJWEKPIKCSFN-RISCZKNCSA-N 1 0 331.380 -1.022 20 0 EAADRO Cc1ccncc1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001160203790 793399762 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Cn1cnc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)cc1=O ZINC001160228586 793399601 /nfs/dbraw/zinc/39/96/01/793399601.db2.gz NMVUCZLUNJKCSS-UHFFFAOYSA-N 1 0 336.352 -1.958 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001160228589 793400214 /nfs/dbraw/zinc/40/02/14/793400214.db2.gz NOIFWPKFOMLFEC-SECBINFHSA-N 1 0 338.368 -1.666 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001160228592 793399834 /nfs/dbraw/zinc/39/98/34/793399834.db2.gz NOIFWPKFOMLFEC-VIFPVBQESA-N 1 0 338.368 -1.666 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001160228644 793400590 /nfs/dbraw/zinc/40/05/90/793400590.db2.gz ORNPUBBAWKDWOS-JQWIXIFHSA-N 1 0 330.385 -1.268 20 0 EAADRO Cn1cnc(C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1=O ZINC001160228690 793399997 /nfs/dbraw/zinc/39/99/97/793399997.db2.gz QRNSIYMFJNUXIK-LLVKDONJSA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cnc(C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1=O ZINC001160228691 793400236 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C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001160237715 793401062 /nfs/dbraw/zinc/40/10/62/793401062.db2.gz FAAJLYBBBVRBFM-JSGCOSHPSA-N 1 0 329.397 -1.255 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001160237880 793401344 /nfs/dbraw/zinc/40/13/44/793401344.db2.gz GMHSEYNSLAJERB-YDHLFZDLSA-N 1 0 343.424 -1.131 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001160237915 793402250 /nfs/dbraw/zinc/40/22/50/793402250.db2.gz HRNCWPNKKZUHBH-STQMWFEESA-N 1 0 349.453 -1.078 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001160238144 793401676 /nfs/dbraw/zinc/40/16/76/793401676.db2.gz SFAVEXQINRVRMS-RYUDHWBXSA-N 1 0 337.442 -1.222 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001160238270 793402222 /nfs/dbraw/zinc/40/22/22/793402222.db2.gz YUGAGSVGKCGXER-FZMZJTMJSA-N 1 0 342.396 -2.155 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001160242869 793401600 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C[C@@H](C(=O)NC(N)=O)[N@H+]1CC=C(CCNC(=O)Cn2nccn2)CC1 ZINC001160246924 793401812 /nfs/dbraw/zinc/40/18/12/793401812.db2.gz DAPFHUWODVPBLF-NSHDSACASA-N 1 0 349.395 -1.000 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001160248914 793402244 /nfs/dbraw/zinc/40/22/44/793402244.db2.gz IIFNGKPPHNHGGS-UHFFFAOYSA-N 1 0 339.396 -1.358 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001160248951 793401904 /nfs/dbraw/zinc/40/19/04/793401904.db2.gz JKWVNURLUBWYSX-RYUDHWBXSA-N 1 0 337.442 -1.175 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001160249226 793401919 /nfs/dbraw/zinc/40/19/19/793401919.db2.gz MJHXBKPYFDYJFB-DCAQKATOSA-N 1 0 330.385 -1.270 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001160249228 793401554 /nfs/dbraw/zinc/40/15/54/793401554.db2.gz MJHXBKPYFDYJFB-VWYCJHECSA-N 1 0 330.385 -1.270 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001160254416 793401595 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CC(C)(C(N)=O)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001160398390 793403159 /nfs/dbraw/zinc/40/31/59/793403159.db2.gz XYPHWYTWSVCSNB-JTQLQIEISA-N 1 0 342.396 -1.896 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001160398395 793402984 /nfs/dbraw/zinc/40/29/84/793402984.db2.gz XYPHWYTWSVCSNB-SNVBAGLBSA-N 1 0 342.396 -1.896 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001160398475 793403105 /nfs/dbraw/zinc/40/31/05/793403105.db2.gz ZHDCLWKQUKECOR-UHFFFAOYSA-N 1 0 334.442 -1.371 20 0 EAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H](N)C[NH3+])[C@@H]3CCCO[C@@H]32)cn1 ZINC001160400651 793403028 /nfs/dbraw/zinc/40/30/28/793403028.db2.gz AGWLVGPBJOLMFB-WUHRBBMRSA-N 1 0 336.396 -1.806 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160402836 793403389 /nfs/dbraw/zinc/40/33/89/793403389.db2.gz CVTQWCIQVRBJSK-UHFFFAOYSA-N 1 0 329.401 -1.170 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160403076 793402681 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O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404204 793403286 /nfs/dbraw/zinc/40/32/86/793403286.db2.gz KNZXSWKIIZPCDE-GBJTYRQASA-N 1 0 337.420 -1.031 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404411 793403557 /nfs/dbraw/zinc/40/35/57/793403557.db2.gz MVKFAWLFZWHDQK-DDNRWTCHSA-N 1 0 341.408 -1.537 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001160408504 793402835 /nfs/dbraw/zinc/40/28/35/793402835.db2.gz JKMMTXJHYCXOJG-UHFFFAOYSA-N 1 0 327.385 -1.418 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001160408550 793403756 /nfs/dbraw/zinc/40/37/56/793403756.db2.gz LFIOQOWGESBHCU-UHFFFAOYSA-N 1 0 327.385 -2.448 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)C(C)(C)C(N)=O)C(=O)N(C)C ZINC001160408632 793402828 /nfs/dbraw/zinc/40/28/28/793402828.db2.gz OISYDINUGOCZIK-JTQLQIEISA-N 1 0 343.428 -1.813 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)C(C)(C)C(N)=O)C(=O)N(C)C ZINC001160408635 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EAADRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001160409077 793403678 /nfs/dbraw/zinc/40/36/78/793403678.db2.gz XCNWYAVUDCPNOG-NSHDSACASA-N 1 0 328.413 -1.111 20 0 EAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001160417425 793402872 /nfs/dbraw/zinc/40/28/72/793402872.db2.gz CHEWPQZOHZVVJL-BBRMVZONSA-N 1 0 343.424 -1.192 20 0 EAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001160417426 793402727 /nfs/dbraw/zinc/40/27/27/793402727.db2.gz CHEWPQZOHZVVJL-CJNGLKHVSA-N 1 0 343.424 -1.192 20 0 EAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001160417427 793403151 /nfs/dbraw/zinc/40/31/51/793403151.db2.gz CHEWPQZOHZVVJL-CZUORRHYSA-N 1 0 343.424 -1.192 20 0 EAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001160417428 793403648 /nfs/dbraw/zinc/40/36/48/793403648.db2.gz CHEWPQZOHZVVJL-XJKSGUPXSA-N 1 0 343.424 -1.192 20 0 EAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001160419176 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CCOC(=O)[C@@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCC1=O ZINC001160428167 793402968 /nfs/dbraw/zinc/40/29/68/793402968.db2.gz PYDDFMMNORHMLQ-VXGBXAGGSA-N 1 0 339.392 -1.312 20 0 EAADRO COc1cc(OC)nc(CN2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)n1 ZINC001160428824 793402572 /nfs/dbraw/zinc/40/25/72/793402572.db2.gz LRVXXHSJUVCYPA-LLVKDONJSA-N 1 0 339.396 -1.152 20 0 EAADRO COc1cc(OC)nc(CN2CCN(C(=O)C[C@H](O)C[NH3+])CC2)n1 ZINC001160428834 793403236 /nfs/dbraw/zinc/40/32/36/793403236.db2.gz LRVXXHSJUVCYPA-NSHDSACASA-N 1 0 339.396 -1.152 20 0 EAADRO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H](N)CC[NH3+])CC2)n1 ZINC001160429239 793403270 /nfs/dbraw/zinc/40/32/70/793403270.db2.gz RLPZMHZBHDXDBW-NSHDSACASA-N 1 0 338.412 -1.186 20 0 EAADRO COc1cc(OC)nc(CN2CCN(C(=O)CNCC[NH3+])CC2)n1 ZINC001160431687 793402885 /nfs/dbraw/zinc/40/28/85/793402885.db2.gz AGXNBTKDEWCVED-UHFFFAOYSA-N 1 0 338.412 -1.314 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160431881 793403607 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CC(C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001160485057 793405158 /nfs/dbraw/zinc/40/51/58/793405158.db2.gz PIESZEOCULJEKM-GFCCVEGCSA-N 1 0 342.444 -1.569 20 0 EAADRO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)CC1 ZINC001160485125 793406018 /nfs/dbraw/zinc/40/60/18/793406018.db2.gz RFEDSOXQQQOAGE-AWEZNQCLSA-N 1 0 336.440 -1.041 20 0 EAADRO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160485508 793405524 /nfs/dbraw/zinc/40/55/24/793405524.db2.gz WACVZRBFIBWFOH-CYBMUJFWSA-N 1 0 339.440 -2.014 20 0 EAADRO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160485512 793405428 /nfs/dbraw/zinc/40/54/28/793405428.db2.gz WACVZRBFIBWFOH-ZDUSSCGKSA-N 1 0 339.440 -2.014 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490346 793406219 /nfs/dbraw/zinc/40/62/19/793406219.db2.gz NDNHUHZQGBQJBL-ZFWWWQNUSA-N 1 0 349.435 -1.407 20 0 EAADRO Cc1cc(=O)c(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)cn1C ZINC001160491396 793406102 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CC(=O)NCC(=O)NCC(=O)NCCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001160538054 793407218 /nfs/dbraw/zinc/40/72/18/793407218.db2.gz SFCTWLYSXRKLCO-GFCCVEGCSA-N 1 0 340.424 -1.242 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001160538056 793407152 /nfs/dbraw/zinc/40/71/52/793407152.db2.gz SFCTWLYSXRKLCO-LBPRGKRZSA-N 1 0 340.424 -1.242 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCC12COC2 ZINC001160542455 793407296 /nfs/dbraw/zinc/40/72/96/793407296.db2.gz XHYFBTIGZQRYCE-RYUDHWBXSA-N 1 0 338.408 -1.168 20 0 EAADRO CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C1COC1 ZINC001160542485 793407163 /nfs/dbraw/zinc/40/71/63/793407163.db2.gz YKVXDTCXRVMKPS-KBPBESRZSA-N 1 0 337.376 -1.404 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC12COC2 ZINC001160542597 793407248 /nfs/dbraw/zinc/40/72/48/793407248.db2.gz ZYRVUWWIWOWAPA-UHFFFAOYSA-N 1 0 341.368 -3.315 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160548018 793406672 /nfs/dbraw/zinc/40/66/72/793406672.db2.gz BMDYIKCIVMMAPK-AXFHLTTASA-N 1 0 339.396 -2.225 20 0 EAADRO NC(=O)[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001160548413 793407226 /nfs/dbraw/zinc/40/72/26/793407226.db2.gz GDYMTFJLIOLZBZ-MRVPVSSYSA-N 1 0 342.356 -4.373 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C)CC1(C)COC1 ZINC001160549684 793407003 /nfs/dbraw/zinc/40/70/03/793407003.db2.gz VERPFXWJGOGOJG-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO Cn1cnn(CC(=O)NCCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)c1=O ZINC001160551018 793407276 /nfs/dbraw/zinc/40/72/76/793407276.db2.gz FZLWPWIRWXXAHQ-CYBMUJFWSA-N 1 0 348.407 -1.391 20 0 EAADRO Cn1cnn(CC(=O)NCCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)c1=O ZINC001160551020 793407345 /nfs/dbraw/zinc/40/73/45/793407345.db2.gz FZLWPWIRWXXAHQ-ZDUSSCGKSA-N 1 0 348.407 -1.391 20 0 EAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(=O)C1 ZINC001160554105 793406831 /nfs/dbraw/zinc/40/68/31/793406831.db2.gz DJBPGBYYDCOSMF-STQMWFEESA-N 1 0 338.408 -1.203 20 0 EAADRO C[C@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)Cn2ncn(C)c2=O)CC1 ZINC001160559084 793407483 /nfs/dbraw/zinc/40/74/83/793407483.db2.gz CGCVQJNLBHZELR-LLVKDONJSA-N 1 0 336.396 -1.406 20 0 EAADRO C[C@@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)Cn2ncn(C)c2=O)CC1 ZINC001160559085 793407128 /nfs/dbraw/zinc/40/71/28/793407128.db2.gz CGCVQJNLBHZELR-NSHDSACASA-N 1 0 336.396 -1.406 20 0 EAADRO COC1CC(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001160560933 793407097 /nfs/dbraw/zinc/40/70/97/793407097.db2.gz BSGYRIACQVOLAP-UHFFFAOYSA-N 1 0 326.397 -1.534 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001160561474 793406782 /nfs/dbraw/zinc/40/67/82/793406782.db2.gz QDIDSYLABGQSIC-UHFFFAOYSA-N 1 0 336.352 -1.036 20 0 EAADRO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160564434 793406898 /nfs/dbraw/zinc/40/68/98/793406898.db2.gz HXQPFYOCWWRUCR-UWVGGRQHSA-N 1 0 348.363 -1.540 20 0 EAADRO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001160564927 793406970 /nfs/dbraw/zinc/40/69/70/793406970.db2.gz RPOBHSHCNLLYJP-UHFFFAOYSA-N 1 0 341.393 -1.027 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2cnn(C)c2C1 ZINC001160565791 793407557 /nfs/dbraw/zinc/40/75/57/793407557.db2.gz WADZWSIAJSXJOI-JQWIXIFHSA-N 1 0 348.407 -1.283 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160566873 793406991 /nfs/dbraw/zinc/40/69/91/793406991.db2.gz FPIMQRUHXDUQBE-GHMZBOCLSA-N 1 0 341.412 -1.015 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160566874 793407365 /nfs/dbraw/zinc/40/73/65/793407365.db2.gz FPIMQRUHXDUQBE-WDEREUQCSA-N 1 0 341.412 -1.015 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(c2cccnn2)CC1 ZINC001160569818 793406985 /nfs/dbraw/zinc/40/69/85/793406985.db2.gz HUROHFVXNFQTQL-UHFFFAOYSA-N 1 0 342.425 -1.655 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160570754 793407340 /nfs/dbraw/zinc/40/73/40/793407340.db2.gz BXNFOZZIDPCXRA-LLVKDONJSA-N 1 0 341.412 -1.013 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160570836 793407093 /nfs/dbraw/zinc/40/70/93/793407093.db2.gz DYWJEQAIWFMTSL-GFCCVEGCSA-N 1 0 328.413 -1.096 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1)NC(=O)NC1CC1 ZINC001160570921 793407159 /nfs/dbraw/zinc/40/71/59/793407159.db2.gz GQENUZDYRTYZPQ-LLVKDONJSA-N 1 0 339.396 -1.261 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160570946 793407112 /nfs/dbraw/zinc/40/71/12/793407112.db2.gz HNVNWRMKOBSBKY-SNVBAGLBSA-N 1 0 327.385 -1.403 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1CCCC(=O)N1 ZINC001160570996 793406946 /nfs/dbraw/zinc/40/69/46/793406946.db2.gz IOIIWURPDACLKX-QWHCGFSZSA-N 1 0 340.424 -1.266 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160571005 793407103 /nfs/dbraw/zinc/40/71/03/793407103.db2.gz IWUZCVDJJFKUHG-CHWSQXEVSA-N 1 0 331.413 -1.225 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160571007 793406980 /nfs/dbraw/zinc/40/69/80/793406980.db2.gz IWUZCVDJJFKUHG-QWHCGFSZSA-N 1 0 331.413 -1.225 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1)N1CCOCC1 ZINC001160571013 793407170 /nfs/dbraw/zinc/40/71/70/793407170.db2.gz JAPCYQLJDKQLJF-GFCCVEGCSA-N 1 0 326.397 -1.390 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)[C@H]1CCCC(=O)N1 ZINC001160571124 793407203 /nfs/dbraw/zinc/40/72/03/793407203.db2.gz OCRHNVSBKHOBDX-GFCCVEGCSA-N 1 0 346.453 -1.214 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160571722 793407409 /nfs/dbraw/zinc/40/74/09/793407409.db2.gz WGPCUVNGSHWDFK-CYBMUJFWSA-N 1 0 328.413 -1.096 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160571951 793407406 /nfs/dbraw/zinc/40/74/06/793407406.db2.gz ZEVRCEPNVYISGQ-GFCCVEGCSA-N 1 0 328.413 -1.096 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1)S(C)(=O)=O ZINC001160571962 793406870 /nfs/dbraw/zinc/40/68/70/793406870.db2.gz ZNYGMVWQBQKRBU-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1)N1CCNC(=O)C1 ZINC001160571978 793406632 /nfs/dbraw/zinc/40/66/32/793406632.db2.gz ZYEYHWXVKNJZRS-LLVKDONJSA-N 1 0 339.396 -2.291 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC001160573102 793407461 /nfs/dbraw/zinc/40/74/61/793407461.db2.gz FMFLARUJZVNSMM-QWRGUYRKSA-N 1 0 349.395 -2.167 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573886 793407041 /nfs/dbraw/zinc/40/70/41/793407041.db2.gz XAJKZVGDPLLVLW-AAEUAGOBSA-N 1 0 346.387 -1.314 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2nc(Cl)ncc2C1 ZINC001160575558 793406739 /nfs/dbraw/zinc/40/67/39/793406739.db2.gz CPXUQNJTBPPHES-CBAPKCEASA-N 1 0 327.772 -1.161 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160576780 793407072 /nfs/dbraw/zinc/40/70/72/793407072.db2.gz CZBHCUHZWOIEIN-UHFFFAOYSA-N 1 0 333.410 -1.095 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160577076 793407415 /nfs/dbraw/zinc/40/74/15/793407415.db2.gz FFRGXILPPBOASW-UWVGGRQHSA-N 1 0 340.380 -1.608 20 0 EAADRO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160580752 793406880 /nfs/dbraw/zinc/40/68/80/793406880.db2.gz AAWRPAFAADNHJQ-DCAQKATOSA-N 1 0 342.396 -1.362 20 0 EAADRO CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160580753 793407424 /nfs/dbraw/zinc/40/74/24/793407424.db2.gz AAWRPAFAADNHJQ-GARJFASQSA-N 1 0 342.396 -1.362 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CCCC(=O)N2)CCO1 ZINC001160583763 793407186 /nfs/dbraw/zinc/40/71/86/793407186.db2.gz BIOXOFIERPXXMC-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CCCC(=O)N2)CCO1 ZINC001160583764 793406821 /nfs/dbraw/zinc/40/68/21/793406821.db2.gz BIOXOFIERPXXMC-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCC(=O)N1 ZINC001160583941 793406762 /nfs/dbraw/zinc/40/67/62/793406762.db2.gz DSBTUTGHRJPXPO-SNVBAGLBSA-N 1 0 325.369 -1.697 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160583956 793406864 /nfs/dbraw/zinc/40/68/64/793406864.db2.gz FDTAMSSWGYJYTM-LLVKDONJSA-N 1 0 334.442 -1.310 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)COCc1nccn1C ZINC001160584011 793406975 /nfs/dbraw/zinc/40/69/75/793406975.db2.gz HSKUTMNAJGARPI-UHFFFAOYSA-N 1 0 340.384 -1.512 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1)NC[C@H]1CCOC1 ZINC001160584146 793406801 /nfs/dbraw/zinc/40/68/01/793406801.db2.gz JQXMKMAWIWBGGT-CHWSQXEVSA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1)NC[C@@H]1CCOC1 ZINC001160584147 793407453 /nfs/dbraw/zinc/40/74/53/793407453.db2.gz JQXMKMAWIWBGGT-QWHCGFSZSA-N 1 0 340.424 -1.096 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160584189 793406892 /nfs/dbraw/zinc/40/68/92/793406892.db2.gz LJZSJMSWYSOEHI-NXEZZACHSA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160584190 793407534 /nfs/dbraw/zinc/40/75/34/793407534.db2.gz LJZSJMSWYSOEHI-VHSXEESVSA-N 1 0 327.385 -1.405 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001160584231 793407505 /nfs/dbraw/zinc/40/75/05/793407505.db2.gz AKFYZTQFGOZFEK-CYBMUJFWSA-N 1 0 343.453 -1.142 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001160584237 793407176 /nfs/dbraw/zinc/40/71/76/793407176.db2.gz AKFYZTQFGOZFEK-ZDUSSCGKSA-N 1 0 343.453 -1.142 20 0 EAADRO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCC(=O)N1 ZINC001160584569 793407333 /nfs/dbraw/zinc/40/73/33/793407333.db2.gz PBDUHWLOSUPGKX-LLVKDONJSA-N 1 0 339.396 -1.307 20 0 EAADRO Cn1ccnc1COCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001160584592 793406965 /nfs/dbraw/zinc/40/69/65/793406965.db2.gz PNXHPQUUVIGNJJ-UHFFFAOYSA-N 1 0 326.357 -1.773 20 0 EAADRO Cn1ccnc1COCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001160584667 793407140 /nfs/dbraw/zinc/40/71/40/793407140.db2.gz RVBYBGKBYNVYTO-LLVKDONJSA-N 1 0 337.380 -1.162 20 0 EAADRO Cn1ccnc1COCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001160584669 793406856 /nfs/dbraw/zinc/40/68/56/793406856.db2.gz RVBYBGKBYNVYTO-NSHDSACASA-N 1 0 337.380 -1.162 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160584828 793407471 /nfs/dbraw/zinc/40/74/71/793407471.db2.gz IIXYRCOUMZXLJY-DZGCQCFKSA-N 1 0 344.481 -1.483 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160584830 793407058 /nfs/dbraw/zinc/40/70/58/793407058.db2.gz IIXYRCOUMZXLJY-HIFRSBDPSA-N 1 0 344.481 -1.483 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160584832 793408427 /nfs/dbraw/zinc/40/84/27/793408427.db2.gz IIXYRCOUMZXLJY-UKRRQHHQSA-N 1 0 344.481 -1.483 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160584834 793408593 /nfs/dbraw/zinc/40/85/93/793408593.db2.gz IIXYRCOUMZXLJY-ZFWWWQNUSA-N 1 0 344.481 -1.483 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001160584836 793408367 /nfs/dbraw/zinc/40/83/67/793408367.db2.gz IIZFUDWGQOTTKW-UHFFFAOYSA-N 1 0 332.470 -1.354 20 0 EAADRO Cn1ccnc1COCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001160585059 793408081 /nfs/dbraw/zinc/40/80/81/793408081.db2.gz UWRSBFKUGNOEPU-UHFFFAOYSA-N 1 0 337.384 -1.345 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001160585426 793408228 /nfs/dbraw/zinc/40/82/28/793408228.db2.gz KRXUBICOVZMIAL-UHFFFAOYSA-N 1 0 332.470 -1.530 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001160585432 787455479 /nfs/dbraw/zinc/45/54/79/787455479.db2.gz KUENVEMGYRNYJU-AWEZNQCLSA-N 1 0 332.470 -1.354 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001160585433 787455050 /nfs/dbraw/zinc/45/50/50/787455050.db2.gz KUENVEMGYRNYJU-CQSZACIVSA-N 1 0 332.470 -1.354 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001160585629 793408215 /nfs/dbraw/zinc/40/82/15/793408215.db2.gz MKOBCMKKPXANBB-MELADBBJSA-N 1 0 344.481 -1.485 20 0 EAADRO 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C[C@H]([NH2+]CCCNC(=O)COCc1nccn1C)C(=O)NC(N)=O ZINC001160592577 793408582 /nfs/dbraw/zinc/40/85/82/793408582.db2.gz WXEYTQQWMXTOPC-JTQLQIEISA-N 1 0 340.384 -1.384 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)COCc1nccn1C)C(=O)NC(N)=O ZINC001160592578 793408261 /nfs/dbraw/zinc/40/82/61/793408261.db2.gz WXEYTQQWMXTOPC-SNVBAGLBSA-N 1 0 340.384 -1.384 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C[C@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001160592641 793408486 /nfs/dbraw/zinc/40/84/86/793408486.db2.gz YTSIDVREAZHYSR-NXEZZACHSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C[C@@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001160592642 793408107 /nfs/dbraw/zinc/40/81/07/793408107.db2.gz YTSIDVREAZHYSR-UWVGGRQHSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C[C@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001160592644 793408465 /nfs/dbraw/zinc/40/84/65/793408465.db2.gz YTSIDVREAZHYSR-VHSXEESVSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001160592645 793408679 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Cc1cnc2nc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)nn2c1 ZINC001160645871 793573106 /nfs/dbraw/zinc/57/31/06/793573106.db2.gz OKXKLRDBAQXMPT-UHFFFAOYSA-N 1 0 334.340 -1.663 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1nc2ncc(C)cn2n1 ZINC001160646020 793573710 /nfs/dbraw/zinc/57/37/10/793573710.db2.gz SACITNIJWOQOAR-UHFFFAOYSA-N 1 0 348.367 -1.402 20 0 EAADRO CN(CC1COC1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160646500 793574050 /nfs/dbraw/zinc/57/40/50/793574050.db2.gz ZWQOHKIJYSYKFZ-UHFFFAOYSA-N 1 0 329.357 -3.602 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647344 793573357 /nfs/dbraw/zinc/57/33/57/793573357.db2.gz HZEFKUGIIJVISA-AEJSXWLSSA-N 1 0 325.369 -2.473 20 0 EAADRO CO[C@@H]1CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001160647607 793573801 /nfs/dbraw/zinc/57/38/01/793573801.db2.gz PERJUQFBBFHCAA-SNVBAGLBSA-N 1 0 343.384 -3.069 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C)CC1COC1 ZINC001160648008 793573999 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-1.065 20 0 EAADRO CCN(CC(C)(C)O)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160756034 793577053 /nfs/dbraw/zinc/57/70/53/793577053.db2.gz ZHMRQVPORUMCEO-UHFFFAOYSA-N 1 0 345.400 -3.087 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160756329 793577319 /nfs/dbraw/zinc/57/73/19/793577319.db2.gz KNPHKFDSVZBWEH-CABZTGNLSA-N 1 0 349.391 -1.578 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001160758774 793577433 /nfs/dbraw/zinc/57/74/33/793577433.db2.gz PCJFSEFRAJFYMJ-UHFFFAOYSA-N 1 0 338.368 -1.036 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760490 793577739 /nfs/dbraw/zinc/57/77/39/793577739.db2.gz NXGVOHVUXXKWAG-QEYWKRMJSA-N 1 0 348.350 -1.566 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760767 793577835 /nfs/dbraw/zinc/57/78/35/793577835.db2.gz RGAZKYOAODELOQ-AOOOYVTPSA-N 1 0 341.380 -1.053 20 0 EAADRO 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DTWWYNBRNOCVTH-QWRGUYRKSA-N 1 0 346.405 -1.446 20 0 EAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001160773133 793577491 /nfs/dbraw/zinc/57/74/91/793577491.db2.gz DTWWYNBRNOCVTH-WDEREUQCSA-N 1 0 346.405 -1.446 20 0 EAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@]1(N)CCC[NH2+]C1)C2 ZINC001160773533 793577526 /nfs/dbraw/zinc/57/75/26/793577526.db2.gz JALMBZTYGHKVNP-GWCFXTLKSA-N 1 0 345.421 -1.744 20 0 EAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]1(N)CCC[NH2+]C1)C2 ZINC001160773534 793577400 /nfs/dbraw/zinc/57/74/00/793577400.db2.gz JALMBZTYGHKVNP-GXFFZTMASA-N 1 0 345.421 -1.744 20 0 EAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@]1(N)CCC[NH2+]C1)C2 ZINC001160773535 793577034 /nfs/dbraw/zinc/57/70/34/793577034.db2.gz JALMBZTYGHKVNP-MFKMUULPSA-N 1 0 345.421 -1.744 20 0 EAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]1(N)CCC[NH2+]C1)C2 ZINC001160773536 793577265 /nfs/dbraw/zinc/57/72/65/793577265.db2.gz JALMBZTYGHKVNP-ZWNOBZJWSA-N 1 0 345.421 -1.744 20 0 EAADRO 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EAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)[C@H](C(=O)OC)C1 ZINC001160871045 793580264 /nfs/dbraw/zinc/58/02/64/793580264.db2.gz PVAMEDSDYQXCNC-GVXVVHGQSA-N 1 0 328.413 -1.208 20 0 EAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)[C@@H](C(=O)OC)C1 ZINC001160871046 793580898 /nfs/dbraw/zinc/58/08/98/793580898.db2.gz PVAMEDSDYQXCNC-LOWVWBTDSA-N 1 0 328.413 -1.208 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CCN1C ZINC001160871238 793580560 /nfs/dbraw/zinc/58/05/60/793580560.db2.gz SLCLBQDKMCRIFE-NWDGAFQWSA-N 1 0 326.397 -1.358 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CCN1C ZINC001160871239 793581183 /nfs/dbraw/zinc/58/11/83/793581183.db2.gz SLCLBQDKMCRIFE-RYUDHWBXSA-N 1 0 326.397 -1.358 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CCN1C ZINC001160871404 793581262 /nfs/dbraw/zinc/58/12/62/793581262.db2.gz URDVNYNTVVFBCB-JTQLQIEISA-N 1 0 336.414 -2.478 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CCN1C ZINC001160871405 793581442 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ZINC001160945298 793582610 /nfs/dbraw/zinc/58/26/10/793582610.db2.gz BUXAEGIQRQWERN-LBPRGKRZSA-N 1 0 334.438 -1.086 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001160945620 793582216 /nfs/dbraw/zinc/58/22/16/793582216.db2.gz MVXWTCHUPARHBI-UHFFFAOYSA-N 1 0 342.425 -1.369 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)C1CC2(C1)CS(=O)(=O)C2 ZINC001160945883 793583233 /nfs/dbraw/zinc/58/32/33/793583233.db2.gz QUQRNSJIVLQQSG-UHFFFAOYSA-N 1 0 334.438 -1.084 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001160945884 793582336 /nfs/dbraw/zinc/58/23/36/793582336.db2.gz QVIBVHWVIBQWAT-UHFFFAOYSA-N 1 0 331.438 -1.005 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCNC1=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001160945929 793582417 /nfs/dbraw/zinc/58/24/17/793582417.db2.gz SJPABYFARFAYGE-LLVKDONJSA-N 1 0 329.422 -1.204 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCNC1=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001160945930 793582380 /nfs/dbraw/zinc/58/23/80/793582380.db2.gz SJPABYFARFAYGE-NSHDSACASA-N 1 0 329.422 -1.204 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001160945936 793582637 /nfs/dbraw/zinc/58/26/37/793582637.db2.gz SPCBBUNGOLDKMG-UHFFFAOYSA-N 1 0 346.409 -1.898 20 0 EAADRO CC(C)(C)C(=O)N1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001160947316 793582771 /nfs/dbraw/zinc/58/27/71/793582771.db2.gz DVSJIKCXTPIETL-UHFFFAOYSA-N 1 0 348.469 -1.076 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@H]1c1cccnc1 ZINC001160950444 793582272 /nfs/dbraw/zinc/58/22/72/793582272.db2.gz DALLVBSBXGFUOR-DRZSPHRISA-N 1 0 349.391 -1.311 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@@H]1c1cccnc1 ZINC001160950446 793582410 /nfs/dbraw/zinc/58/24/10/793582410.db2.gz DALLVBSBXGFUOR-WCFLWFBJSA-N 1 0 349.391 -1.311 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001160950601 793582601 /nfs/dbraw/zinc/58/26/01/793582601.db2.gz ZTGRFIFVKMBVJR-QWRGUYRKSA-N 1 0 328.413 -1.472 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2(CC2)C1 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CC(=O)[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001161039274 793584716 /nfs/dbraw/zinc/58/47/16/793584716.db2.gz PEVLBHMNQQEPCV-JTQLQIEISA-N 1 0 341.368 -3.269 20 0 EAADRO CC(=O)[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001161039275 793584362 /nfs/dbraw/zinc/58/43/62/793584362.db2.gz PEVLBHMNQQEPCV-SNVBAGLBSA-N 1 0 341.368 -3.269 20 0 EAADRO CC(=O)[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161039460 793583958 /nfs/dbraw/zinc/58/39/58/793583958.db2.gz WQHGBIMSFRNVLK-DRZSPHRISA-N 1 0 338.408 -1.122 20 0 EAADRO CC(=O)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161039461 793584994 /nfs/dbraw/zinc/58/49/94/793584994.db2.gz WQHGBIMSFRNVLK-UHTWSYAYSA-N 1 0 338.408 -1.122 20 0 EAADRO O=C(NCCC1=CC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001161050183 793583782 /nfs/dbraw/zinc/58/37/82/793583782.db2.gz BXMXXZKXHHRMCN-NEPJUHHUSA-N 1 0 349.391 -1.389 20 0 EAADRO O=C(NCCC1=CC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001161050184 793585097 /nfs/dbraw/zinc/58/50/97/793585097.db2.gz BXMXXZKXHHRMCN-NWDGAFQWSA-N 1 0 349.391 -1.389 20 0 EAADRO O=C(NCCC1=CC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001161050185 793584528 /nfs/dbraw/zinc/58/45/28/793584528.db2.gz BXMXXZKXHHRMCN-RYUDHWBXSA-N 1 0 349.391 -1.389 20 0 EAADRO O=C(NCCC1=CC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001161050186 793584381 /nfs/dbraw/zinc/58/43/81/793584381.db2.gz BXMXXZKXHHRMCN-VXGBXAGGSA-N 1 0 349.391 -1.389 20 0 EAADRO COC[C@H](O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161050655 793584317 /nfs/dbraw/zinc/58/43/17/793584317.db2.gz IVPMSQQXKJEJFD-CHWSQXEVSA-N 1 0 326.397 -1.187 20 0 EAADRO COC[C@H](O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161050656 793584275 /nfs/dbraw/zinc/58/42/75/793584275.db2.gz IVPMSQQXKJEJFD-OLZOCXBDSA-N 1 0 326.397 -1.187 20 0 EAADRO COC[C@@H](O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161050657 793583860 /nfs/dbraw/zinc/58/38/60/793583860.db2.gz IVPMSQQXKJEJFD-QWHCGFSZSA-N 1 0 326.397 -1.187 20 0 EAADRO COC[C@@H](O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161050658 793584517 /nfs/dbraw/zinc/58/45/17/793584517.db2.gz IVPMSQQXKJEJFD-STQMWFEESA-N 1 0 326.397 -1.187 20 0 EAADRO O=C(NCCC1=CC[N@H+](CCOCCO)CC1)[C@H]1CNC(=O)N1 ZINC001161051014 793584947 /nfs/dbraw/zinc/58/49/47/793584947.db2.gz NSFCLIFFVQLCMZ-CYBMUJFWSA-N 1 0 326.397 -1.185 20 0 EAADRO O=C(NCCC1=CC[N@H+](CCOCCO)CC1)[C@@H]1CNC(=O)N1 ZINC001161051016 793584903 /nfs/dbraw/zinc/58/49/03/793584903.db2.gz NSFCLIFFVQLCMZ-ZDUSSCGKSA-N 1 0 326.397 -1.185 20 0 EAADRO N[C@@H](CC[NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066618 793584584 /nfs/dbraw/zinc/58/45/84/793584584.db2.gz BRWGODCVXKHDQS-MNOVXSKESA-N 1 0 327.410 -1.363 20 0 EAADRO N[C@@H](CC[NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066620 793583542 /nfs/dbraw/zinc/58/35/42/793583542.db2.gz BRWGODCVXKHDQS-QWRGUYRKSA-N 1 0 327.410 -1.363 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066661 793583472 /nfs/dbraw/zinc/58/34/72/793583472.db2.gz CGCUPKXHOHJHKV-IJLUTSLNSA-N 1 0 340.405 -1.459 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066844 793583950 /nfs/dbraw/zinc/58/39/50/793583950.db2.gz CGCUPKXHOHJHKV-QJPTWQEYSA-N 1 0 340.405 -1.459 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066845 793584707 /nfs/dbraw/zinc/58/47/07/793584707.db2.gz CGCUPKXHOHJHKV-TUAOUCFPSA-N 1 0 340.405 -1.459 20 0 EAADRO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066846 793584511 /nfs/dbraw/zinc/58/45/11/793584511.db2.gz CGCUPKXHOHJHKV-UTUOFQBUSA-N 1 0 340.405 -1.459 20 0 EAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067142 793584732 /nfs/dbraw/zinc/58/47/32/793584732.db2.gz FPTUAYKUJPANPE-SRVKXCTJSA-N 1 0 339.421 -1.493 20 0 EAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067144 793583821 /nfs/dbraw/zinc/58/38/21/793583821.db2.gz FPTUAYKUJPANPE-WOPDTQHZSA-N 1 0 339.421 -1.493 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067246 793584472 /nfs/dbraw/zinc/58/44/72/793584472.db2.gz GTXSJZAVLKUGIL-GVXVVHGQSA-N 1 0 340.405 -1.316 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@H]1O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067248 793584440 /nfs/dbraw/zinc/58/44/40/793584440.db2.gz GTXSJZAVLKUGIL-LOWVWBTDSA-N 1 0 340.405 -1.316 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067250 793584580 /nfs/dbraw/zinc/58/45/80/793584580.db2.gz GTXSJZAVLKUGIL-MDZLAQPJSA-N 1 0 340.405 -1.316 20 0 EAADRO O=C([C@H]1[NH2+]CC[C@H]1O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067251 793583655 /nfs/dbraw/zinc/58/36/55/793583655.db2.gz GTXSJZAVLKUGIL-WZRBSPASSA-N 1 0 340.405 -1.316 20 0 EAADRO O=C([C@@H]1C[NH2+]CCN1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068421 793584548 /nfs/dbraw/zinc/58/45/48/793584548.db2.gz QJHFUTSFDVPZJI-NEPJUHHUSA-N 1 0 339.421 -1.478 20 0 EAADRO O=C([C@H]1C[NH2+]CCN1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068422 793583935 /nfs/dbraw/zinc/58/39/35/793583935.db2.gz QJHFUTSFDVPZJI-NWDGAFQWSA-N 1 0 339.421 -1.478 20 0 EAADRO O=C([C@@H]1C[NH2+]CCN1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068423 793584290 /nfs/dbraw/zinc/58/42/90/793584290.db2.gz QJHFUTSFDVPZJI-RYUDHWBXSA-N 1 0 339.421 -1.478 20 0 EAADRO O=C([C@H]1C[NH2+]CCN1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068424 793584284 /nfs/dbraw/zinc/58/42/84/793584284.db2.gz QJHFUTSFDVPZJI-VXGBXAGGSA-N 1 0 339.421 -1.478 20 0 EAADRO [NH3+][C@@H]1CN[C@H](C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068483 793584753 /nfs/dbraw/zinc/58/47/53/793584753.db2.gz RWZBPEODVKCLKL-SRVKXCTJSA-N 1 0 339.421 -1.350 20 0 EAADRO [NH3+][C@@H]1CN[C@H](C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068484 793583505 /nfs/dbraw/zinc/58/35/05/793583505.db2.gz RWZBPEODVKCLKL-TUAOUCFPSA-N 1 0 339.421 -1.350 20 0 EAADRO [NH3+][C@H]1CN[C@H](C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068485 793583751 /nfs/dbraw/zinc/58/37/51/793583751.db2.gz RWZBPEODVKCLKL-UTUOFQBUSA-N 1 0 339.421 -1.350 20 0 EAADRO [NH3+][C@H]1CN[C@H](C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068486 793584864 /nfs/dbraw/zinc/58/48/64/793584864.db2.gz RWZBPEODVKCLKL-WOPDTQHZSA-N 1 0 339.421 -1.350 20 0 EAADRO [NH3+]CCNCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068498 793584437 /nfs/dbraw/zinc/58/44/37/793584437.db2.gz SEXUQKLQUWDDPB-LLVKDONJSA-N 1 0 327.410 -1.491 20 0 EAADRO [NH3+]CCNCC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068499 793583459 /nfs/dbraw/zinc/58/34/59/793583459.db2.gz SEXUQKLQUWDDPB-NSHDSACASA-N 1 0 327.410 -1.491 20 0 EAADRO [NH3+]C[C@H](O)CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068913 793586093 /nfs/dbraw/zinc/58/60/93/793586093.db2.gz XYISKXPWWVVKSP-GHMZBOCLSA-N 1 0 328.394 -1.330 20 0 EAADRO [NH3+]C[C@@H](O)CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068914 793586293 /nfs/dbraw/zinc/58/62/93/793586293.db2.gz XYISKXPWWVVKSP-MNOVXSKESA-N 1 0 328.394 -1.330 20 0 EAADRO [NH3+]C[C@@H](O)CC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068915 793586553 /nfs/dbraw/zinc/58/65/53/793586553.db2.gz XYISKXPWWVVKSP-QWRGUYRKSA-N 1 0 328.394 -1.330 20 0 EAADRO [NH3+]C[C@H](O)CC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068916 793586138 /nfs/dbraw/zinc/58/61/38/793586138.db2.gz XYISKXPWWVVKSP-WDEREUQCSA-N 1 0 328.394 -1.330 20 0 EAADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161069052 793585715 /nfs/dbraw/zinc/58/57/15/793585715.db2.gz ZMYSDGCZZSOCPC-IJLUTSLNSA-N 1 0 340.405 -1.316 20 0 EAADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161069054 793585631 /nfs/dbraw/zinc/58/56/31/793585631.db2.gz ZMYSDGCZZSOCPC-QJPTWQEYSA-N 1 0 340.405 -1.316 20 0 EAADRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161069056 793585683 /nfs/dbraw/zinc/58/56/83/793585683.db2.gz ZMYSDGCZZSOCPC-SRVKXCTJSA-N 1 0 340.405 -1.316 20 0 EAADRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161069058 793586302 /nfs/dbraw/zinc/58/63/02/793586302.db2.gz ZMYSDGCZZSOCPC-WOPDTQHZSA-N 1 0 340.405 -1.316 20 0 EAADRO Cn1c(C[N@H+]2CC=C(CCNC(=O)C(N)=O)CC2)cc(=O)n(C)c1=O ZINC001161069750 793585946 /nfs/dbraw/zinc/58/59/46/793585946.db2.gz BUWVGVRCCYKBEA-UHFFFAOYSA-N 1 0 349.391 -1.792 20 0 EAADRO NC(=O)C(=O)NCCC1=CC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC001161070747 793586502 /nfs/dbraw/zinc/58/65/02/793586502.db2.gz OFZLHRROXNSASQ-UHFFFAOYSA-N 1 0 337.380 -1.448 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@H+]1CC=C(CCNC(=O)C(N)=O)CC1 ZINC001161071313 793586462 /nfs/dbraw/zinc/58/64/62/793586462.db2.gz ZLYSCSXQDKXGMQ-UHFFFAOYSA-N 1 0 346.453 -1.108 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ccc(N)cc2C1 ZINC001161076262 793585725 /nfs/dbraw/zinc/58/57/25/793585725.db2.gz JCKLHDZJZAOIFI-ZANVPECISA-N 1 0 333.392 -1.139 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161080986 793586619 /nfs/dbraw/zinc/58/66/19/793586619.db2.gz ATSBZQKRPGKZKB-IUCAKERBSA-N 1 0 340.384 -2.632 20 0 EAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081377 793585502 /nfs/dbraw/zinc/58/55/02/793585502.db2.gz FCDMYWYMFMBVNV-GFCCVEGCSA-N 1 0 334.380 -1.839 20 0 EAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081379 793585463 /nfs/dbraw/zinc/58/54/63/793585463.db2.gz FCDMYWYMFMBVNV-LBPRGKRZSA-N 1 0 334.380 -1.839 20 0 EAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081667 793586673 /nfs/dbraw/zinc/58/66/73/793586673.db2.gz LKKVOAGAGQGVPI-KPWVOAKYSA-N 1 0 327.410 -1.073 20 0 EAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081669 793586384 /nfs/dbraw/zinc/58/63/84/793586384.db2.gz LKKVOAGAGQGVPI-SAHAZLINSA-N 1 0 327.410 -1.073 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161082018 793586192 /nfs/dbraw/zinc/58/61/92/793586192.db2.gz NCNSRMBHQNLVPJ-ONGXEEELSA-N 1 0 338.368 -2.345 20 0 EAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161082574 793586587 /nfs/dbraw/zinc/58/65/87/793586587.db2.gz OJXAEDFAYPIBKC-LLVKDONJSA-N 1 0 337.384 -1.393 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161083176 793585993 /nfs/dbraw/zinc/58/59/93/793585993.db2.gz RBRFBFZZXSKYLO-UHFFFAOYSA-N 1 0 333.414 -2.119 20 0 EAADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161083779 793586545 /nfs/dbraw/zinc/58/65/45/793586545.db2.gz CLWRUZDDXZYLKW-AXFHLTTASA-N 1 0 328.390 -1.073 20 0 EAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161083780 793585757 /nfs/dbraw/zinc/58/57/57/793585757.db2.gz CLWRUZDDXZYLKW-DCAQKATOSA-N 1 0 328.390 -1.073 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)S(C)(=O)=O ZINC001161083841 793586611 /nfs/dbraw/zinc/58/66/11/793586611.db2.gz MGTFJCMEJLYYOI-LLVKDONJSA-N 1 0 349.453 -1.189 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)S(C)(=O)=O ZINC001161083842 793586063 /nfs/dbraw/zinc/58/60/63/793586063.db2.gz MGTFJCMEJLYYOI-NSHDSACASA-N 1 0 349.453 -1.189 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084383 793585548 /nfs/dbraw/zinc/58/55/48/793585548.db2.gz GXAKWCKMYVSHNN-NAKRPEOUSA-N 1 0 338.364 -2.033 20 0 EAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161084426 793585844 /nfs/dbraw/zinc/58/58/44/793585844.db2.gz XRDFKISTEDXSLY-LBPRGKRZSA-N 1 0 334.380 -1.220 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161084645 793585790 /nfs/dbraw/zinc/58/57/90/793585790.db2.gz USGAWRXRZCKCPQ-LLVKDONJSA-N 1 0 337.442 -1.332 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161084646 793586377 /nfs/dbraw/zinc/58/63/77/793586377.db2.gz USGAWRXRZCKCPQ-NSHDSACASA-N 1 0 337.442 -1.332 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085281 793585698 /nfs/dbraw/zinc/58/56/98/793585698.db2.gz SEYPXERWRJRIMF-YUMQZZPRSA-N 1 0 341.324 -4.180 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)S(C)(=O)=O ZINC001161086872 793585472 /nfs/dbraw/zinc/58/54/72/793585472.db2.gz ADVKTRYGTCFIMO-JTQLQIEISA-N 1 0 345.425 -1.163 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)S(C)(=O)=O ZINC001161086873 793585411 /nfs/dbraw/zinc/58/54/11/793585411.db2.gz ADVKTRYGTCFIMO-SNVBAGLBSA-N 1 0 345.425 -1.163 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161086922 787572760 /nfs/dbraw/zinc/57/27/60/787572760.db2.gz BHDDTONSQHZCQW-JTQLQIEISA-N 1 0 343.471 -1.545 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161086923 787573093 /nfs/dbraw/zinc/57/30/93/787573093.db2.gz BHDDTONSQHZCQW-SNVBAGLBSA-N 1 0 343.471 -1.545 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)S(C)(=O)=O ZINC001161087180 793585498 /nfs/dbraw/zinc/58/54/98/793585498.db2.gz CVSKNWWHHSRSEK-SECBINFHSA-N 1 0 329.444 -1.935 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)S(C)(=O)=O 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-1.332 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161087958 793586559 /nfs/dbraw/zinc/58/65/59/793586559.db2.gz JEPLNAJMSQJHKV-NSHDSACASA-N 1 0 337.442 -1.332 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)S(C)(=O)=O ZINC001161088004 793585417 /nfs/dbraw/zinc/58/54/17/793585417.db2.gz KGZMXVIDDICPBM-JTQLQIEISA-N 1 0 348.425 -2.526 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)S(C)(=O)=O ZINC001161088005 793586034 /nfs/dbraw/zinc/58/60/34/793586034.db2.gz KGZMXVIDDICPBM-SNVBAGLBSA-N 1 0 348.425 -2.526 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)S(C)(=O)=O ZINC001161088678 793585528 /nfs/dbraw/zinc/58/55/28/793585528.db2.gz MHNQDBAMCOSWJT-SECBINFHSA-N 1 0 348.425 -1.496 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)S(C)(=O)=O ZINC001161088679 793586356 /nfs/dbraw/zinc/58/63/56/793586356.db2.gz MHNQDBAMCOSWJT-VIFPVBQESA-N 1 0 348.425 -1.496 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC001161088686 793586275 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EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)S(C)(=O)=O ZINC001161088807 787571891 /nfs/dbraw/zinc/57/18/91/787571891.db2.gz NLXPDBCYFSFKAC-LLVKDONJSA-N 1 0 335.426 -1.626 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)S(C)(=O)=O ZINC001161088809 787571550 /nfs/dbraw/zinc/57/15/50/787571550.db2.gz NLXPDBCYFSFKAC-NSHDSACASA-N 1 0 335.426 -1.626 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)S(C)(=O)=O ZINC001161089244 793585646 /nfs/dbraw/zinc/58/56/46/793585646.db2.gz PEGKPOJXDNVGJY-NEPJUHHUSA-N 1 0 349.453 -1.332 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)S(C)(=O)=O ZINC001161089248 793586027 /nfs/dbraw/zinc/58/60/27/793586027.db2.gz PEGKPOJXDNVGJY-NWDGAFQWSA-N 1 0 349.453 -1.332 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)S(C)(=O)=O ZINC001161089252 793586123 /nfs/dbraw/zinc/58/61/23/793586123.db2.gz PEGKPOJXDNVGJY-RYUDHWBXSA-N 1 0 349.453 -1.332 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)S(C)(=O)=O ZINC001161089255 793586132 /nfs/dbraw/zinc/58/61/32/793586132.db2.gz PEGKPOJXDNVGJY-VXGBXAGGSA-N 1 0 349.453 -1.332 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161089291 787574222 /nfs/dbraw/zinc/57/42/22/787574222.db2.gz PKMZWAGHXSEUQN-SECBINFHSA-N 1 0 336.414 -1.639 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161089294 787573515 /nfs/dbraw/zinc/57/35/15/787573515.db2.gz PKMZWAGHXSEUQN-VIFPVBQESA-N 1 0 336.414 -1.639 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161089591 793585874 /nfs/dbraw/zinc/58/58/74/793585874.db2.gz QHXCRYHIWHVZCC-BDAKNGLRSA-N 1 0 336.414 -1.641 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161089592 793586239 /nfs/dbraw/zinc/58/62/39/793586239.db2.gz QHXCRYHIWHVZCC-DTWKUNHWSA-N 1 0 336.414 -1.641 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161089594 793586349 /nfs/dbraw/zinc/58/63/49/793586349.db2.gz QHXCRYHIWHVZCC-IUCAKERBSA-N 1 0 336.414 -1.641 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161089596 793585487 /nfs/dbraw/zinc/58/54/87/793585487.db2.gz QHXCRYHIWHVZCC-RKDXNWHRSA-N 1 0 336.414 -1.641 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)S(C)(=O)=O ZINC001161089783 793585447 /nfs/dbraw/zinc/58/54/47/793585447.db2.gz RQDGUSIJZDHRHM-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)S(C)(=O)=O ZINC001161089789 793585862 /nfs/dbraw/zinc/58/58/62/793585862.db2.gz RQDGUSIJZDHRHM-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)S(C)(=O)=O ZINC001161089792 793586608 /nfs/dbraw/zinc/58/66/08/793586608.db2.gz RQDGUSIJZDHRHM-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)S(C)(=O)=O ZINC001161089794 793586526 /nfs/dbraw/zinc/58/65/26/793586526.db2.gz RQDGUSIJZDHRHM-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC001161089850 793586370 /nfs/dbraw/zinc/58/63/70/793586370.db2.gz SNVVSUPCOPWJPI-NEPJUHHUSA-N 1 0 349.453 -1.189 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC001161089852 793585808 /nfs/dbraw/zinc/58/58/08/793585808.db2.gz SNVVSUPCOPWJPI-NWDGAFQWSA-N 1 0 349.453 -1.189 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC001161089855 793586666 /nfs/dbraw/zinc/58/66/66/793586666.db2.gz SNVVSUPCOPWJPI-RYUDHWBXSA-N 1 0 349.453 -1.189 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC001161089857 793586363 /nfs/dbraw/zinc/58/63/63/793586363.db2.gz SNVVSUPCOPWJPI-VXGBXAGGSA-N 1 0 349.453 -1.189 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)S(C)(=O)=O ZINC001161090016 793585825 /nfs/dbraw/zinc/58/58/25/793585825.db2.gz UTBJEMMHDNODTI-JTQLQIEISA-N 1 0 343.409 -1.056 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)S(C)(=O)=O ZINC001161090017 793586479 /nfs/dbraw/zinc/58/64/79/793586479.db2.gz UTBJEMMHDNODTI-SNVBAGLBSA-N 1 0 343.409 -1.056 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161090400 787574074 /nfs/dbraw/zinc/57/40/74/787574074.db2.gz WTBXWJHSWVWWBZ-LLVKDONJSA-N 1 0 337.442 -1.332 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161090401 787574554 /nfs/dbraw/zinc/57/45/54/787574554.db2.gz WTBXWJHSWVWWBZ-NSHDSACASA-N 1 0 337.442 -1.332 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161090420 787574977 /nfs/dbraw/zinc/57/49/77/787574977.db2.gz XJQITINIZVPFCH-NEPJUHHUSA-N 1 0 340.442 -1.461 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161090422 787574530 /nfs/dbraw/zinc/57/45/30/787574530.db2.gz XJQITINIZVPFCH-NWDGAFQWSA-N 1 0 340.442 -1.461 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001161090424 787574502 /nfs/dbraw/zinc/57/45/02/787574502.db2.gz XJQITINIZVPFCH-RYUDHWBXSA-N 1 0 340.442 -1.461 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001161090429 787574316 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793591349 /nfs/dbraw/zinc/59/13/49/793591349.db2.gz VCUSITWXXJCAGD-SNVBAGLBSA-N 1 0 329.401 -2.189 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCCC[NH2+]Cc1cnc(C)cn1 ZINC001161174541 793591861 /nfs/dbraw/zinc/59/18/61/793591861.db2.gz XKRGREZMPWBARC-UHFFFAOYSA-N 1 0 336.396 -1.367 20 0 EAADRO CCn1ccc(C[NH2+]CCCNC(=O)CNC(=O)CNC(C)=O)n1 ZINC001161174552 793591589 /nfs/dbraw/zinc/59/15/89/793591589.db2.gz YHLZNDRYSCPCSN-UHFFFAOYSA-N 1 0 338.412 -1.249 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCCC[NH2+][C@H](C)c1ncccn1 ZINC001161174555 793592296 /nfs/dbraw/zinc/59/22/96/793592296.db2.gz YKEFLJLGCHOLHE-LLVKDONJSA-N 1 0 336.396 -1.114 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCCC[NH2+][C@@H](C)c1ncccn1 ZINC001161174556 793592397 /nfs/dbraw/zinc/59/23/97/793592397.db2.gz YKEFLJLGCHOLHE-NSHDSACASA-N 1 0 336.396 -1.114 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCCC[NH2+]CCn1cncn1 ZINC001161174557 793591887 /nfs/dbraw/zinc/59/18/87/793591887.db2.gz YKNOYBOIGOFJMG-UHFFFAOYSA-N 1 0 325.373 -2.374 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(O)CC1 ZINC001161178069 793031203 /nfs/dbraw/zinc/03/12/03/793031203.db2.gz HHHIRCVCQDHOHX-UHFFFAOYSA-N 1 0 329.357 -3.723 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccn(C)c(=O)c1 ZINC001161179472 793591745 /nfs/dbraw/zinc/59/17/45/793591745.db2.gz RRULRAGLTFTTNZ-JTQLQIEISA-N 1 0 337.380 -1.061 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccn(C)c(=O)c1 ZINC001161179473 793592285 /nfs/dbraw/zinc/59/22/85/793592285.db2.gz RRULRAGLTFTTNZ-SNVBAGLBSA-N 1 0 337.380 -1.061 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(O)CC1 ZINC001161180455 793032398 /nfs/dbraw/zinc/03/23/98/793032398.db2.gz GKTKFFXKNRQJSB-JQWIXIFHSA-N 1 0 326.397 -1.576 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161181812 793033126 /nfs/dbraw/zinc/03/31/26/793033126.db2.gz PFKBXOUICGVNAU-UHFFFAOYSA-N 1 0 343.409 -1.199 20 0 EAADRO CNC(=O)CN1CC=C(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001161199632 793591180 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NS(=O)(=O)c1cc(C(=O)NCCC[NH2+]CC(=O)N2CCC2)co1 ZINC001161232265 793591299 /nfs/dbraw/zinc/59/12/99/793591299.db2.gz AYDDHCFJADFIOL-UHFFFAOYSA-N 1 0 344.393 -1.131 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)c2coc(S(N)(=O)=O)c2)n1 ZINC001161232303 793591996 /nfs/dbraw/zinc/59/19/96/793591996.db2.gz CIYGFVPAYNIMRS-UHFFFAOYSA-N 1 0 342.381 -1.035 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161232314 793591829 /nfs/dbraw/zinc/59/18/29/793591829.db2.gz CPDOGMZMDYANRI-UHFFFAOYSA-N 1 0 332.382 -1.227 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161232340 793591361 /nfs/dbraw/zinc/59/13/61/793591361.db2.gz DFKYVNGUCHOMPU-JTQLQIEISA-N 1 0 335.382 -1.356 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161232341 793591603 /nfs/dbraw/zinc/59/16/03/793591603.db2.gz DFKYVNGUCHOMPU-SNVBAGLBSA-N 1 0 335.382 -1.356 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161232348 793591643 /nfs/dbraw/zinc/59/16/43/793591643.db2.gz DMUQRCAWOQOQTF-UHFFFAOYSA-N 1 0 342.381 -1.035 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161232537 793591372 /nfs/dbraw/zinc/59/13/72/793591372.db2.gz FFVCCMCNCZPLMW-MRVPVSSYSA-N 1 0 332.382 -1.229 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161232539 793591717 /nfs/dbraw/zinc/59/17/17/793591717.db2.gz FFVCCMCNCZPLMW-QMMMGPOBSA-N 1 0 332.382 -1.229 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)co1 ZINC001161232596 793592372 /nfs/dbraw/zinc/59/23/72/793592372.db2.gz GBRAOKLIIVFFEH-SECBINFHSA-N 1 0 330.366 -1.475 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+][C@H]2CCNC2=O)co1 ZINC001161232598 793591901 /nfs/dbraw/zinc/59/19/01/793591901.db2.gz GBRAOKLIIVFFEH-VIFPVBQESA-N 1 0 330.366 -1.475 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1)C(N)=O ZINC001161232629 793592355 /nfs/dbraw/zinc/59/23/55/793592355.db2.gz HDRPAXAYEYTEKZ-SECBINFHSA-N 1 0 332.382 -1.100 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1)C(N)=O ZINC001161232630 793591914 /nfs/dbraw/zinc/59/19/14/793591914.db2.gz HDRPAXAYEYTEKZ-VIFPVBQESA-N 1 0 332.382 -1.100 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)c2coc(S(N)(=O)=O)c2)nn1 ZINC001161233023 793591725 /nfs/dbraw/zinc/59/17/25/793591725.db2.gz NSDLMTGEYZTGHK-UHFFFAOYSA-N 1 0 342.381 -1.035 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+]CCOCCO)co1 ZINC001161233179 793592893 /nfs/dbraw/zinc/59/28/93/793592893.db2.gz PZNMQKRARBUEGG-UHFFFAOYSA-N 1 0 335.382 -1.355 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161233222 793592629 /nfs/dbraw/zinc/59/26/29/793592629.db2.gz RMWLEWBOCISPCB-UHFFFAOYSA-N 1 0 347.353 -2.169 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161233367 793593456 /nfs/dbraw/zinc/59/34/56/793593456.db2.gz TZHRCJPIVSTBIY-UHFFFAOYSA-N 1 0 343.369 -1.640 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)c2coc(S(N)(=O)=O)c2)C1=O ZINC001161233387 793592692 /nfs/dbraw/zinc/59/26/92/793592692.db2.gz USXANGTYMQESIM-JTQLQIEISA-N 1 0 344.393 -1.133 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)c2coc(S(N)(=O)=O)c2)C1=O ZINC001161233388 793593478 /nfs/dbraw/zinc/59/34/78/793593478.db2.gz USXANGTYMQESIM-SNVBAGLBSA-N 1 0 344.393 -1.133 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)co1 ZINC001161233423 793593785 /nfs/dbraw/zinc/59/37/85/793593785.db2.gz WAYVDDQBAJIPJR-JTQLQIEISA-N 1 0 344.393 -1.085 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)co1 ZINC001161233424 793594122 /nfs/dbraw/zinc/59/41/22/793594122.db2.gz WAYVDDQBAJIPJR-SNVBAGLBSA-N 1 0 344.393 -1.085 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161233621 793592996 /nfs/dbraw/zinc/59/29/96/793592996.db2.gz XOEJBIFDOVDXEF-UHFFFAOYSA-N 1 0 332.382 -1.275 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+]CCn2cncn2)co1 ZINC001161233630 793592795 /nfs/dbraw/zinc/59/27/95/793592795.db2.gz XRGBUDGQOJVMQJ-UHFFFAOYSA-N 1 0 342.381 -1.072 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+]CC(=O)NC2CC2)co1 ZINC001161233695 793593090 /nfs/dbraw/zinc/59/30/90/793593090.db2.gz YCMQOUHVJNDIHN-UHFFFAOYSA-N 1 0 344.393 -1.085 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161233713 793592838 /nfs/dbraw/zinc/59/28/38/793592838.db2.gz YLOIBALYSBKLHX-UHFFFAOYSA-N 1 0 342.381 -1.035 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001161233747 793593219 /nfs/dbraw/zinc/59/32/19/793593219.db2.gz ZOWDCVLHHXTOQN-UHFFFAOYSA-N 1 0 342.381 -1.035 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234301 793593470 /nfs/dbraw/zinc/59/34/70/793593470.db2.gz ABJMEEJLSDWWAJ-LLVKDONJSA-N 1 0 330.414 -1.338 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234303 793593642 /nfs/dbraw/zinc/59/36/42/793593642.db2.gz ABJMEEJLSDWWAJ-NSHDSACASA-N 1 0 330.414 -1.338 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234823 793592702 /nfs/dbraw/zinc/59/27/02/793592702.db2.gz ILEFNNWTYURGPK-AXFHLTTASA-N 1 0 337.384 -1.851 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234826 793593812 /nfs/dbraw/zinc/59/38/12/793593812.db2.gz ILEFNNWTYURGPK-DCAQKATOSA-N 1 0 337.384 -1.851 20 0 EAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161236631 793593284 /nfs/dbraw/zinc/59/32/84/793593284.db2.gz GNFORBGAWPGONE-JTQLQIEISA-N 1 0 336.414 -2.478 20 0 EAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161236632 793593872 /nfs/dbraw/zinc/59/38/72/793593872.db2.gz GNFORBGAWPGONE-SNVBAGLBSA-N 1 0 336.414 -2.478 20 0 EAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001161237500 793593589 /nfs/dbraw/zinc/59/35/89/793593589.db2.gz KZRBJAGRKCMBRC-NWDGAFQWSA-N 1 0 326.397 -1.358 20 0 EAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001161237501 793593115 /nfs/dbraw/zinc/59/31/15/793593115.db2.gz KZRBJAGRKCMBRC-RYUDHWBXSA-N 1 0 326.397 -1.358 20 0 EAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001161238435 793593849 /nfs/dbraw/zinc/59/38/49/793593849.db2.gz UIHCDKXOOGCJRU-NWDGAFQWSA-N 1 0 328.413 -1.208 20 0 EAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001161238436 793593418 /nfs/dbraw/zinc/59/34/18/793593418.db2.gz UIHCDKXOOGCJRU-RYUDHWBXSA-N 1 0 328.413 -1.208 20 0 EAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001161238437 793594101 /nfs/dbraw/zinc/59/41/01/793594101.db2.gz UJJFYQFUWNQHSP-QWHCGFSZSA-N 1 0 328.413 -1.064 20 0 EAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001161238438 793593621 /nfs/dbraw/zinc/59/36/21/793593621.db2.gz UJJFYQFUWNQHSP-STQMWFEESA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)C[C@H]1C(=O)OC ZINC001161238611 793594062 /nfs/dbraw/zinc/59/40/62/793594062.db2.gz UTOPIIYTHTWAAV-GVXVVHGQSA-N 1 0 328.413 -1.208 20 0 EAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)C[C@@H]1C(=O)OC ZINC001161238612 793593826 /nfs/dbraw/zinc/59/38/26/793593826.db2.gz UTOPIIYTHTWAAV-LOWVWBTDSA-N 1 0 328.413 -1.208 20 0 EAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161239253 793593885 /nfs/dbraw/zinc/59/38/85/793593885.db2.gz YNXHYNYCKIISIQ-GUBZILKMSA-N 1 0 343.384 -2.991 20 0 EAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161239254 793593343 /nfs/dbraw/zinc/59/33/43/793593343.db2.gz YNXHYNYCKIISIQ-LPEHRKFASA-N 1 0 343.384 -2.991 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCN(c2cccnc2)CC1 ZINC001161239338 793593524 /nfs/dbraw/zinc/59/35/24/793593524.db2.gz JSKBAAZLJGCGIM-JSGCOSHPSA-N 1 0 335.408 -1.055 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(c2ncncn2)CC1 ZINC001161247250 793593582 /nfs/dbraw/zinc/59/35/82/793593582.db2.gz APQOSVGIEOJAMQ-UHFFFAOYSA-N 1 0 343.413 -2.260 20 0 EAADRO [NH3+][C@H]1CCCCN(CC(=O)N2CCN(c3ncncn3)CC2)C1=O ZINC001161248048 793594037 /nfs/dbraw/zinc/59/40/37/793594037.db2.gz PGEGUFSVZLHTBU-LBPRGKRZSA-N 1 0 333.396 -1.140 20 0 EAADRO COc1ccc2ncc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)n2n1 ZINC001161251355 793592747 /nfs/dbraw/zinc/59/27/47/793592747.db2.gz QBGVPBCSXNODEG-UHFFFAOYSA-N 1 0 349.351 -1.358 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001161259943 793593247 /nfs/dbraw/zinc/59/32/47/793593247.db2.gz AWAHHXKUUUTLHO-LLVKDONJSA-N 1 0 349.457 -1.308 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001161260511 793593717 /nfs/dbraw/zinc/59/37/17/793593717.db2.gz PMFHKCAQKTYBLJ-GFCCVEGCSA-N 1 0 346.453 -1.753 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001161260512 793593305 /nfs/dbraw/zinc/59/33/05/793593305.db2.gz PMFHKCAQKTYBLJ-LBPRGKRZSA-N 1 0 346.453 -1.753 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001161260523 793592763 /nfs/dbraw/zinc/59/27/63/793592763.db2.gz PXSOSGAPDCBTRN-WCFLWFBJSA-N 1 0 330.454 -1.133 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001161260558 793592956 /nfs/dbraw/zinc/59/29/56/793592956.db2.gz QSZPYARVWMTHAX-BXUZGUMPSA-N 1 0 330.454 -1.132 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001161260560 793593675 /nfs/dbraw/zinc/59/36/75/793593675.db2.gz QSZPYARVWMTHAX-FZMZJTMJSA-N 1 0 330.454 -1.132 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001161260562 793592782 /nfs/dbraw/zinc/59/27/82/793592782.db2.gz QSZPYARVWMTHAX-RISCZKNCSA-N 1 0 330.454 -1.132 20 0 EAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001161260563 793593541 /nfs/dbraw/zinc/59/35/41/793593541.db2.gz QSZPYARVWMTHAX-SMDDNHRTSA-N 1 0 330.454 -1.132 20 0 EAADRO COCc1nn(C)cc1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001161262637 793593954 /nfs/dbraw/zinc/59/39/54/793593954.db2.gz CSEWJTODMFYPST-UHFFFAOYSA-N 1 0 337.384 -1.102 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CCC3N=NC(=O)N3C2)nn1 ZINC001161262794 793593970 /nfs/dbraw/zinc/59/39/70/793593970.db2.gz HGRKIRYIPXWWDZ-JTQLQIEISA-N 1 0 334.384 -1.029 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)nn1 ZINC001161262796 793592726 /nfs/dbraw/zinc/59/27/26/793592726.db2.gz HGRKIRYIPXWWDZ-SNVBAGLBSA-N 1 0 334.384 -1.029 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)NC1CC1 ZINC001161262801 793593616 /nfs/dbraw/zinc/59/36/16/793593616.db2.gz HIVQYRQWVCEGJL-JTQLQIEISA-N 1 0 336.396 -1.079 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)NC1CC1 ZINC001161262836 793593276 /nfs/dbraw/zinc/59/32/76/793593276.db2.gz HIVQYRQWVCEGJL-SNVBAGLBSA-N 1 0 336.396 -1.079 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1=O ZINC001161262838 793592870 /nfs/dbraw/zinc/59/28/70/793592870.db2.gz HKVYVRBAVHAIDO-GHMZBOCLSA-N 1 0 336.396 -1.127 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1=O ZINC001161262839 793593746 /nfs/dbraw/zinc/59/37/46/793593746.db2.gz HKVYVRBAVHAIDO-MNOVXSKESA-N 1 0 336.396 -1.127 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1=O ZINC001161262841 793593169 /nfs/dbraw/zinc/59/31/69/793593169.db2.gz HKVYVRBAVHAIDO-QWRGUYRKSA-N 1 0 336.396 -1.127 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1=O ZINC001161262843 793594031 /nfs/dbraw/zinc/59/40/31/793594031.db2.gz HKVYVRBAVHAIDO-WDEREUQCSA-N 1 0 336.396 -1.127 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)N1CCC1 ZINC001161262849 793594130 /nfs/dbraw/zinc/59/41/30/793594130.db2.gz HLJYCXNSSUOQKF-LLVKDONJSA-N 1 0 336.396 -1.126 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)N1CCC1 ZINC001161262854 793593927 /nfs/dbraw/zinc/59/39/27/793593927.db2.gz HLJYCXNSSUOQKF-NSHDSACASA-N 1 0 336.396 -1.126 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001161262892 793593099 /nfs/dbraw/zinc/59/30/99/793593099.db2.gz INDYZCTYLGOVKJ-GHMZBOCLSA-N 1 0 336.396 -1.079 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCCNC1=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001161262894 793593079 /nfs/dbraw/zinc/59/30/79/793593079.db2.gz INDYZCTYLGOVKJ-MNOVXSKESA-N 1 0 336.396 -1.079 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCCNC1=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001161262896 793593409 /nfs/dbraw/zinc/59/34/09/793593409.db2.gz INDYZCTYLGOVKJ-QWRGUYRKSA-N 1 0 336.396 -1.079 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCCNC1=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001161262897 793593207 /nfs/dbraw/zinc/59/32/07/793593207.db2.gz INDYZCTYLGOVKJ-WDEREUQCSA-N 1 0 336.396 -1.079 20 0 EAADRO O=C(NCCC[NH2+]CCn1cncn1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001161263050 793593510 /nfs/dbraw/zinc/59/35/10/793593510.db2.gz MJINGMXYKPEVFT-LLVKDONJSA-N 1 0 334.384 -1.066 20 0 EAADRO O=C(NCCC[NH2+]CCn1cncn1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001161263051 793593334 /nfs/dbraw/zinc/59/33/34/793593334.db2.gz MJINGMXYKPEVFT-NSHDSACASA-N 1 0 334.384 -1.066 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001161263058 793594004 /nfs/dbraw/zinc/59/40/04/793594004.db2.gz MNPMOCXYZMSPJL-LLVKDONJSA-N 1 0 327.385 -1.349 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)[C@H]1CCC2N=NC(=O)N2C1 ZINC001161263059 793592944 /nfs/dbraw/zinc/59/29/44/793592944.db2.gz MNPMOCXYZMSPJL-NSHDSACASA-N 1 0 327.385 -1.349 20 0 EAADRO 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EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161461758 793601215 /nfs/dbraw/zinc/60/12/15/793601215.db2.gz MVYABQMHFPMMNR-UHFFFAOYSA-N 1 0 327.345 -2.867 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161461810 793600508 /nfs/dbraw/zinc/60/05/08/793600508.db2.gz OEYSOLNIVMDNBD-GFCCVEGCSA-N 1 0 340.428 -1.067 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161461813 793601302 /nfs/dbraw/zinc/60/13/02/793601302.db2.gz OEYSOLNIVMDNBD-LBPRGKRZSA-N 1 0 340.428 -1.067 20 0 EAADRO CC(C)n1nnnc1C[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161461814 793600736 /nfs/dbraw/zinc/60/07/36/793600736.db2.gz OKGBREPZCZTZMU-UHFFFAOYSA-N 1 0 337.388 -1.555 20 0 EAADRO Cn1cnn(CC(=O)NCCC[NH2+]CCCN2CCCC2=O)c1=O ZINC001161461817 793601042 /nfs/dbraw/zinc/60/10/42/793601042.db2.gz OMUNPCSOSJYQQO-UHFFFAOYSA-N 1 0 338.412 -1.310 20 0 EAADRO Cn1cnn(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)c1=O ZINC001161461844 793601581 /nfs/dbraw/zinc/60/15/81/793601581.db2.gz 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CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161462698 793600892 /nfs/dbraw/zinc/60/08/92/793600892.db2.gz ZSQXPAWSRCKGFO-LLVKDONJSA-N 1 0 326.401 -1.408 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161462699 793600881 /nfs/dbraw/zinc/60/08/81/793600881.db2.gz ZSQXPAWSRCKGFO-NSHDSACASA-N 1 0 326.401 -1.408 20 0 EAADRO Cn1cnn(CC(=O)NCCC[NH2+]Cc2nnc(C3CC3)[nH]2)c1=O ZINC001161467032 793600927 /nfs/dbraw/zinc/60/09/27/793600927.db2.gz PRQQFOJRDJVATI-UHFFFAOYSA-N 1 0 334.384 -1.127 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161478989 793602760 /nfs/dbraw/zinc/60/27/60/793602760.db2.gz WUZCFQXWKLBRHK-AWEZNQCLSA-N 1 0 340.424 -1.113 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161478990 793603063 /nfs/dbraw/zinc/60/30/63/793603063.db2.gz WUZCFQXWKLBRHK-CQSZACIVSA-N 1 0 340.424 -1.113 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001161481855 793602058 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C[C@@H]1CN(C2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001161500423 785341812 /nfs/dbraw/zinc/34/18/12/785341812.db2.gz WYXAUBAULOHKEM-TXEJJXNPSA-N 1 0 348.469 -1.473 20 0 EAADRO C[C@@H]1CN(C2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001161500425 785340424 /nfs/dbraw/zinc/34/04/24/785340424.db2.gz WYXAUBAULOHKEM-VXGBXAGGSA-N 1 0 348.469 -1.473 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(C(F)F)C1 ZINC001161500766 793603921 /nfs/dbraw/zinc/60/39/21/793603921.db2.gz ZYSOLBGNTYTDIV-UHFFFAOYSA-N 1 0 335.311 -2.983 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C[C@@H]2C(=O)N(C)C ZINC001161506146 793603993 /nfs/dbraw/zinc/60/39/93/793603993.db2.gz BEBDQLWMHNBGPQ-AGIUHOORSA-N 1 0 338.408 -1.896 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C[C@H]2C(=O)N(C)C ZINC001161506147 793604258 /nfs/dbraw/zinc/60/42/58/793604258.db2.gz BEBDQLWMHNBGPQ-AVGNSLFASA-N 1 0 338.408 -1.896 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C[C@@H]2C(=O)N(C)C ZINC001161506148 793603681 /nfs/dbraw/zinc/60/36/81/793603681.db2.gz BEBDQLWMHNBGPQ-UPJWGTAASA-N 1 0 338.408 -1.896 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C[C@H]2C(=O)N(C)C ZINC001161506149 793604074 /nfs/dbraw/zinc/60/40/74/793604074.db2.gz BEBDQLWMHNBGPQ-XQQFMLRXSA-N 1 0 338.408 -1.896 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161506301 793603778 /nfs/dbraw/zinc/60/37/78/793603778.db2.gz FGNDTDPOYZWEJD-NEPJUHHUSA-N 1 0 325.413 -1.942 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506302 793603660 /nfs/dbraw/zinc/60/36/60/793603660.db2.gz FGNDTDPOYZWEJD-RYUDHWBXSA-N 1 0 325.413 -1.942 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)CNCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161506333 793603486 /nfs/dbraw/zinc/60/34/86/793603486.db2.gz FTUKHMYTKVMWMW-GFCCVEGCSA-N 1 0 325.413 -2.070 20 0 EAADRO CC(=O)N1CC2(C1)CN(C(=O)CNCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506334 793603751 /nfs/dbraw/zinc/60/37/51/793603751.db2.gz 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Cc1nc(C)n(CC[NH2+]CCCNC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001161958500 793613419 /nfs/dbraw/zinc/61/34/19/793613419.db2.gz XSYLITPKSJYYKG-UHFFFAOYSA-N 1 0 349.395 -1.047 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001161958514 793613621 /nfs/dbraw/zinc/61/36/21/793613621.db2.gz YNAASUQCPLHTOY-UHFFFAOYSA-N 1 0 326.313 -2.760 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001161958538 793613304 /nfs/dbraw/zinc/61/33/04/793613304.db2.gz ZTWZDFKABKKECU-LLVKDONJSA-N 1 0 337.380 -1.334 20 0 EAADRO CN1CCC[C@H]([NH2+]CCCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001161958539 793612640 /nfs/dbraw/zinc/61/26/40/793612640.db2.gz ZTWZDFKABKKECU-NSHDSACASA-N 1 0 337.380 -1.334 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCCC[NH2+]CCN1CCNC1=O ZINC001161963684 793613377 /nfs/dbraw/zinc/61/33/77/793613377.db2.gz BIHDCYDCRMYNAU-UHFFFAOYSA-N 1 0 338.368 -1.930 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O)c1nncn1C ZINC001161963934 793613530 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CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001161969447 793613269 /nfs/dbraw/zinc/61/32/69/793613269.db2.gz POXKWXKWYHIANT-LLVKDONJSA-N 1 0 339.396 -1.041 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001161969448 793613449 /nfs/dbraw/zinc/61/34/49/793613449.db2.gz POXKWXKWYHIANT-NSHDSACASA-N 1 0 339.396 -1.041 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NC(N)=O ZINC001161969456 793613247 /nfs/dbraw/zinc/61/32/47/793613247.db2.gz PXJIBTLYJIHSMV-MRVPVSSYSA-N 1 0 340.340 -2.372 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NC(N)=O ZINC001161969457 793613404 /nfs/dbraw/zinc/61/34/04/793613404.db2.gz PXJIBTLYJIHSMV-QMMMGPOBSA-N 1 0 340.340 -2.372 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001161969461 793612907 /nfs/dbraw/zinc/61/29/07/793612907.db2.gz PZKRHDOMNUESNZ-UHFFFAOYSA-N 1 0 347.397 -2.406 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NC1CC1 ZINC001161969462 793613292 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C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)NC(N)=O ZINC001162075833 793616505 /nfs/dbraw/zinc/61/65/05/793616505.db2.gz RMIYXAWDKQLTJV-VHSXEESVSA-N 1 0 342.400 -1.544 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)NC(N)=O ZINC001162075834 793616516 /nfs/dbraw/zinc/61/65/16/793616516.db2.gz RMIYXAWDKQLTJV-ZJUUUORDSA-N 1 0 342.400 -1.544 20 0 EAADRO COCC1(CNC(=O)Cn2cnnn2)CC[NH+](CCCO)CC1 ZINC001162091147 793616268 /nfs/dbraw/zinc/61/62/68/793616268.db2.gz FEZVWNSVNKQSSZ-UHFFFAOYSA-N 1 0 326.401 -1.100 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162091173 793616348 /nfs/dbraw/zinc/61/63/48/793616348.db2.gz GJWJBYQPJOIELS-LLVKDONJSA-N 1 0 343.428 -1.366 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162091174 793615697 /nfs/dbraw/zinc/61/56/97/793615697.db2.gz GJWJBYQPJOIELS-NSHDSACASA-N 1 0 343.428 -1.366 20 0 EAADRO COCC1(CNC(=O)Cn2cnnn2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162091337 793615806 /nfs/dbraw/zinc/61/58/06/793615806.db2.gz JHDMNENUYCXJNZ-LLVKDONJSA-N 1 0 339.400 -1.608 20 0 EAADRO COCC1(CNC(=O)Cn2cnnn2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162091338 793615573 /nfs/dbraw/zinc/61/55/73/793615573.db2.gz JHDMNENUYCXJNZ-NSHDSACASA-N 1 0 339.400 -1.608 20 0 EAADRO COCC1(CNC(=O)CNC(N)=O)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001162091362 793616170 /nfs/dbraw/zinc/61/61/70/793616170.db2.gz KNCGRNBQTYISMI-LLVKDONJSA-N 1 0 341.412 -1.612 20 0 EAADRO COCC1(CNC(=O)CNC(N)=O)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001162091363 793616131 /nfs/dbraw/zinc/61/61/31/793616131.db2.gz KNCGRNBQTYISMI-NSHDSACASA-N 1 0 341.412 -1.612 20 0 EAADRO COCC1(CNC(=O)CNC(N)=O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162091368 793615605 /nfs/dbraw/zinc/61/56/05/793615605.db2.gz KTKNWKZIAQUNAM-JTQLQIEISA-N 1 0 329.401 -1.627 20 0 EAADRO COCC1(CNC(=O)CNC(N)=O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162091369 793616331 /nfs/dbraw/zinc/61/63/31/793616331.db2.gz KTKNWKZIAQUNAM-SNVBAGLBSA-N 1 0 329.401 -1.627 20 0 EAADRO COCC1(CNC(=O)CNC(N)=O)CC[NH+](CC(=O)N(C)C)CC1 ZINC001162091372 793616482 /nfs/dbraw/zinc/61/64/82/793616482.db2.gz KWXMXGAVNZBNIF-UHFFFAOYSA-N 1 0 343.428 -1.412 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)Cn2cnnn2)(COC)CC1 ZINC001162091402 793615985 /nfs/dbraw/zinc/61/59/85/793615985.db2.gz MMDFHKHZFJXIII-UHFFFAOYSA-N 1 0 339.400 -1.736 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162091426 793616447 /nfs/dbraw/zinc/61/64/47/793616447.db2.gz MXZDJWXFWYSFEX-UHFFFAOYSA-N 1 0 329.401 -1.755 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162091753 793616431 /nfs/dbraw/zinc/61/64/31/793616431.db2.gz SUZLZQGQDLNHEK-LLVKDONJSA-N 1 0 343.428 -1.237 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162091754 793616323 /nfs/dbraw/zinc/61/63/23/793616323.db2.gz SUZLZQGQDLNHEK-NSHDSACASA-N 1 0 343.428 -1.237 20 0 EAADRO COCC1(CNC(=O)CNC(N)=O)CC[NH+](CCOCCO)CC1 ZINC001162091790 793616458 /nfs/dbraw/zinc/61/64/58/793616458.db2.gz UVWAQNYDHJQAJH-UHFFFAOYSA-N 1 0 346.428 -1.492 20 0 EAADRO CCNC(=O)C[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162091813 793616235 /nfs/dbraw/zinc/61/62/35/793616235.db2.gz WLAMGSJGMRZXGR-UHFFFAOYSA-N 1 0 343.428 -1.364 20 0 EAADRO COCC1(CNC(=O)Cn2cnnn2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162091965 793615648 /nfs/dbraw/zinc/61/56/48/793615648.db2.gz YCLDVUGDWXYLTG-GFCCVEGCSA-N 1 0 326.401 -1.101 20 0 EAADRO COCC1(CNC(=O)Cn2cnnn2)CC[NH+](C[C@H](C)O)CC1 ZINC001162091966 793616011 /nfs/dbraw/zinc/61/60/11/793616011.db2.gz YCLDVUGDWXYLTG-LBPRGKRZSA-N 1 0 326.401 -1.101 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162091999 793616548 /nfs/dbraw/zinc/61/65/48/793616548.db2.gz ZZVWZAYXMMHDDO-GFCCVEGCSA-N 1 0 346.428 -1.493 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(CNC(=O)CNC(N)=O)(COC)CC1 ZINC001162092000 793616144 /nfs/dbraw/zinc/61/61/44/793616144.db2.gz ZZVWZAYXMMHDDO-LBPRGKRZSA-N 1 0 346.428 -1.493 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001162092252 793615791 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COCCn1nc(C(=O)NCCC[NH2+]Cc2cn(C)nn2)ccc1=O ZINC001162097509 793615912 /nfs/dbraw/zinc/61/59/12/793615912.db2.gz OSEQRFAEXISVIK-UHFFFAOYSA-N 1 0 349.395 -1.072 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]CCn2cncn2)ccc1=O ZINC001162097784 793615759 /nfs/dbraw/zinc/61/57/59/793615759.db2.gz RSSDFLXZXQCIMG-UHFFFAOYSA-N 1 0 349.395 -1.109 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]Cc2cnn(C)n2)ccc1=O ZINC001162097840 793615902 /nfs/dbraw/zinc/61/59/02/793615902.db2.gz UNNDGZDYFPDILV-UHFFFAOYSA-N 1 0 349.395 -1.072 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)ccc1=O ZINC001162097843 793615618 /nfs/dbraw/zinc/61/56/18/793615618.db2.gz UNVIQVSGGYYECP-LLVKDONJSA-N 1 0 337.380 -1.512 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+][C@H]2CCNC2=O)ccc1=O ZINC001162097844 793616157 /nfs/dbraw/zinc/61/61/57/793616157.db2.gz UNVIQVSGGYYECP-NSHDSACASA-N 1 0 337.380 -1.512 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]C[C@@H](O)COC)ccc1=O ZINC001162097845 793616318 /nfs/dbraw/zinc/61/63/18/793616318.db2.gz UPJMMXVXGJHRHH-GFCCVEGCSA-N 1 0 342.396 -1.394 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]C[C@H](O)COC)ccc1=O ZINC001162097846 793616496 /nfs/dbraw/zinc/61/64/96/793616496.db2.gz UPJMMXVXGJHRHH-LBPRGKRZSA-N 1 0 342.396 -1.394 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001162097875 793616052 /nfs/dbraw/zinc/61/60/52/793616052.db2.gz VJPAGLQMVQLCSG-LLVKDONJSA-N 1 0 339.396 -1.266 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001162097876 793615968 /nfs/dbraw/zinc/61/59/68/793615968.db2.gz VJPAGLQMVQLCSG-NSHDSACASA-N 1 0 339.396 -1.266 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]CCOCCO)ccc1=O ZINC001162097903 793615801 /nfs/dbraw/zinc/61/58/01/793615801.db2.gz WEJOKFNAPWOIFQ-UHFFFAOYSA-N 1 0 342.396 -1.392 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+][C@@H](C)C(N)=O)ccc1=O ZINC001162097936 793616306 /nfs/dbraw/zinc/61/63/06/793616306.db2.gz XPIVDUBHYYXRRG-JTQLQIEISA-N 1 0 325.369 -1.527 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+][C@H](C)C(N)=O)ccc1=O ZINC001162097937 793615674 /nfs/dbraw/zinc/61/56/74/793615674.db2.gz XPIVDUBHYYXRRG-SNVBAGLBSA-N 1 0 325.369 -1.527 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]Cc2nncn2C)ccc1=O ZINC001162112266 793618133 /nfs/dbraw/zinc/61/81/33/793618133.db2.gz CDCFZCSBBCRPPA-UHFFFAOYSA-N 1 0 349.395 -1.072 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]Cc2ncnn2C)ccc1=O ZINC001162112341 793618071 /nfs/dbraw/zinc/61/80/71/793618071.db2.gz GNMHIODPMCOCMW-UHFFFAOYSA-N 1 0 349.395 -1.072 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001162112597 793617834 /nfs/dbraw/zinc/61/78/34/793617834.db2.gz MRTGOQDTLRRBCZ-UHFFFAOYSA-N 1 0 339.396 -1.265 20 0 EAADRO COCCn1nc(C(=O)NCCC[NH2+]Cc2cnnn2C)ccc1=O ZINC001162112735 793617508 /nfs/dbraw/zinc/61/75/08/793617508.db2.gz PQJXRHOJNXXKEL-UHFFFAOYSA-N 1 0 349.395 -1.072 20 0 EAADRO COc1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001162119516 793617807 /nfs/dbraw/zinc/61/78/07/793617807.db2.gz NROAGDDXDUPZHN-UHFFFAOYSA-N 1 0 349.391 -1.242 20 0 EAADRO COC(=O)C(C(=O)OC)c1cncc(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001162123844 793617855 /nfs/dbraw/zinc/61/78/55/793617855.db2.gz FVSCQKGLIVFMAN-UHFFFAOYSA-N 1 0 346.365 -1.369 20 0 EAADRO COc1nc(N(CC[NH3+])S(C)(=O)=O)nc(N2CCOCC2)n1 ZINC001162123855 786187976 /nfs/dbraw/zinc/18/79/76/786187976.db2.gz GLZZPUCUIDNHIV-UHFFFAOYSA-N 1 0 332.386 -1.559 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])c1cc(N2CCC(C(N)=O)CC2)ncn1 ZINC001162123868 793617820 /nfs/dbraw/zinc/61/78/20/793617820.db2.gz HMPKKJYVMQOUEK-UHFFFAOYSA-N 1 0 342.425 -1.097 20 0 EAADRO CN1CCN(c2cc(N(CC[NH3+])S(C)(=O)=O)ncn2)CC1=O ZINC001162123920 793617781 /nfs/dbraw/zinc/61/77/81/793617781.db2.gz JRYWHHJRHZDHRP-UHFFFAOYSA-N 1 0 328.398 -1.520 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])c1nc2nc[nH]c2c(N2CCOCC2)n1 ZINC001162124159 793618180 /nfs/dbraw/zinc/61/81/80/793618180.db2.gz PKNQVBBONYIBBG-UHFFFAOYSA-N 1 0 341.397 -1.086 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])c1ccc(C(=O)N2CCNC(=O)C2)cn1 ZINC001162124198 793617593 /nfs/dbraw/zinc/61/75/93/793617593.db2.gz RGSWGAFLFSVPHL-UHFFFAOYSA-N 1 0 341.393 -1.622 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)c1ccccc1OCC(N)=O ZINC001162124747 793617092 /nfs/dbraw/zinc/61/70/92/793617092.db2.gz IJXDLOAAXRDCKV-UHFFFAOYSA-N 1 0 347.379 -1.016 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])c1ccc(N2CCC(C(N)=O)CC2)nn1 ZINC001162125265 793618013 /nfs/dbraw/zinc/61/80/13/793618013.db2.gz WXEUEZPEDZZZRI-UHFFFAOYSA-N 1 0 342.425 -1.097 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])c1cc(CN2CCNC(=O)C2)ccn1 ZINC001162127101 793617959 /nfs/dbraw/zinc/61/79/59/793617959.db2.gz QGAFENLRESSZCT-UHFFFAOYSA-N 1 0 327.410 -1.262 20 0 EAADRO C[C@]1(c2cccnc2N(CC[NH3+])S(C)(=O)=O)NC(=O)NC1=O ZINC001162127527 793617351 /nfs/dbraw/zinc/61/73/51/793617351.db2.gz VVPIXGZIZCXUIM-GFCCVEGCSA-N 1 0 327.366 -1.139 20 0 EAADRO C[C@@]1(c2cccnc2N(CC[NH3+])S(C)(=O)=O)NC(=O)NC1=O ZINC001162127528 793617292 /nfs/dbraw/zinc/61/72/92/793617292.db2.gz VVPIXGZIZCXUIM-LBPRGKRZSA-N 1 0 327.366 -1.139 20 0 EAADRO CS(=O)(=O)CCn1cc(N(CC[NH3+])S(C)(=O)=O)ccc1=O ZINC001162131265 786188290 /nfs/dbraw/zinc/18/82/90/786188290.db2.gz RCDOIJDIPYHOMX-UHFFFAOYSA-N 1 0 337.423 -1.382 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)CNC(=O)OC)(COC)CC1 ZINC001162131573 793617492 /nfs/dbraw/zinc/61/74/92/793617492.db2.gz IEPJIIGLUYHAEX-UHFFFAOYSA-N 1 0 344.412 -1.067 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2COCCO2)(COC)CC1 ZINC001162132178 793617336 /nfs/dbraw/zinc/61/73/36/793617336.db2.gz YYDIKNZLTBXTMV-CYBMUJFWSA-N 1 0 343.424 -1.007 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2COCCO2)(COC)CC1 ZINC001162132179 793617738 /nfs/dbraw/zinc/61/77/38/793617738.db2.gz YYDIKNZLTBXTMV-ZDUSSCGKSA-N 1 0 343.424 -1.007 20 0 EAADRO CC(=O)N[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CCCC1 ZINC001162161371 793618269 /nfs/dbraw/zinc/61/82/69/793618269.db2.gz AZZLGIHLHVXXKH-CYBMUJFWSA-N 1 0 341.412 -1.028 20 0 EAADRO CC(=O)N[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CCCC1 ZINC001162161372 793617790 /nfs/dbraw/zinc/61/77/90/793617790.db2.gz AZZLGIHLHVXXKH-ZDUSSCGKSA-N 1 0 341.412 -1.028 20 0 EAADRO COCC1(CNC(=O)[C@H]2CCC(=O)N2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162170594 793617151 /nfs/dbraw/zinc/61/71/51/793617151.db2.gz BIGXGAMUXUXKHT-NWDGAFQWSA-N 1 0 340.424 -1.016 20 0 EAADRO COCC1(CNC(=O)[C@H]2CCC(=O)N2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162170596 793617383 /nfs/dbraw/zinc/61/73/83/793617383.db2.gz BIGXGAMUXUXKHT-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC(=O)N2)(COC)CC1 ZINC001162171802 793618335 /nfs/dbraw/zinc/61/83/35/793618335.db2.gz YFTGQRPTDOBYPL-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001162176899 793617940 /nfs/dbraw/zinc/61/79/40/793617940.db2.gz CBVRJMFBSZYVGK-LLVKDONJSA-N 1 0 339.396 -1.307 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001162176900 793617526 /nfs/dbraw/zinc/61/75/26/793617526.db2.gz CBVRJMFBSZYVGK-NSHDSACASA-N 1 0 339.396 -1.307 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001162177419 793617022 /nfs/dbraw/zinc/61/70/22/793617022.db2.gz INYIGLXOSNPGBF-LLVKDONJSA-N 1 0 341.412 -1.013 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001162177424 793617891 /nfs/dbraw/zinc/61/78/91/793617891.db2.gz INYIGLXOSNPGBF-NSHDSACASA-N 1 0 341.412 -1.013 20 0 EAADRO O=C(C[C@H]1CCCC(=O)N1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001162178845 793618116 /nfs/dbraw/zinc/61/81/16/793618116.db2.gz QIEJLABTISXHCF-CYBMUJFWSA-N 1 0 340.424 -1.000 20 0 EAADRO O=C(C[C@@H]1CCCC(=O)N1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001162178846 793618039 /nfs/dbraw/zinc/61/80/39/793618039.db2.gz QIEJLABTISXHCF-ZDUSSCGKSA-N 1 0 340.424 -1.000 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001162179371 793618259 /nfs/dbraw/zinc/61/82/59/793618259.db2.gz WMMOBQDHUZWCGV-LLVKDONJSA-N 1 0 334.442 -1.310 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001162179372 793617628 /nfs/dbraw/zinc/61/76/28/793617628.db2.gz WMMOBQDHUZWCGV-NSHDSACASA-N 1 0 334.442 -1.310 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001162179379 793616939 /nfs/dbraw/zinc/61/69/39/793616939.db2.gz XBWFPPQZQQIUCL-JTQLQIEISA-N 1 0 327.385 -1.403 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001162179380 793617922 /nfs/dbraw/zinc/61/79/22/793617922.db2.gz XBWFPPQZQQIUCL-SNVBAGLBSA-N 1 0 327.385 -1.403 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+](CC(=O)N(C)C)CC1 ZINC001162182096 793617892 /nfs/dbraw/zinc/61/78/92/793617892.db2.gz DODWQRYVSXBPNT-UHFFFAOYSA-N 1 0 328.413 -1.205 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)CC(N)=O)(COC)CC1 ZINC001162182121 793617687 /nfs/dbraw/zinc/61/76/87/793617687.db2.gz FGEAGYKVDFSIST-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)CC(N)=O)(COC)CC1 ZINC001162182157 793617615 /nfs/dbraw/zinc/61/76/15/793617615.db2.gz FGEAGYKVDFSIST-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+](CC(=O)N2CCC2)CC1 ZINC001162182175 793617724 /nfs/dbraw/zinc/61/77/24/793617724.db2.gz FSYNRORETVTOPV-UHFFFAOYSA-N 1 0 340.424 -1.061 20 0 EAADRO CCNC(=O)C[NH+]1CCC(CNC(=O)CC(N)=O)(COC)CC1 ZINC001162182247 793617671 /nfs/dbraw/zinc/61/76/71/793617671.db2.gz HQZIMROABDTDSM-UHFFFAOYSA-N 1 0 328.413 -1.157 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001162182330 793617005 /nfs/dbraw/zinc/61/70/05/793617005.db2.gz JFLMDAVMBCWHCK-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001162182337 793617753 /nfs/dbraw/zinc/61/77/53/793617753.db2.gz JFLMDAVMBCWHCK-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001162182522 793617901 /nfs/dbraw/zinc/61/79/01/793617901.db2.gz LLSNYBKDPIARSM-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001162182524 793618048 /nfs/dbraw/zinc/61/80/48/793618048.db2.gz LLSNYBKDPIARSM-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001162182682 793617882 /nfs/dbraw/zinc/61/78/82/793617882.db2.gz QHTPEIGJEIUHLP-GFCCVEGCSA-N 1 0 340.424 -1.015 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001162182684 793617171 /nfs/dbraw/zinc/61/71/71/793617171.db2.gz QHTPEIGJEIUHLP-LBPRGKRZSA-N 1 0 340.424 -1.015 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001162182786 793617438 /nfs/dbraw/zinc/61/74/38/793617438.db2.gz QJEYFAXQXXLHNB-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+](CCn2cncn2)CC1 ZINC001162182842 793618192 /nfs/dbraw/zinc/61/81/92/793618192.db2.gz RORAACVRHLRYPR-UHFFFAOYSA-N 1 0 338.412 -1.002 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(CNC(=O)CC(N)=O)(COC)CC1 ZINC001162182884 793618217 /nfs/dbraw/zinc/61/82/17/793618217.db2.gz TVRPINPMQNRUGC-GFCCVEGCSA-N 1 0 331.413 -1.286 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(CNC(=O)CC(N)=O)(COC)CC1 ZINC001162182885 793617427 /nfs/dbraw/zinc/61/74/27/793617427.db2.gz TVRPINPMQNRUGC-LBPRGKRZSA-N 1 0 331.413 -1.286 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+](CCOCCO)CC1 ZINC001162182896 793617802 /nfs/dbraw/zinc/61/78/02/793617802.db2.gz UFSDIPMFKPKYTN-UHFFFAOYSA-N 1 0 331.413 -1.285 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)CC(N)=O)(COC)CC1 ZINC001162182911 793617240 /nfs/dbraw/zinc/61/72/40/793617240.db2.gz VEUZNERGXYBYQI-LLVKDONJSA-N 1 0 328.413 -1.030 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)CC(N)=O)(COC)CC1 ZINC001162182912 793617554 /nfs/dbraw/zinc/61/75/54/793617554.db2.gz VEUZNERGXYBYQI-NSHDSACASA-N 1 0 328.413 -1.030 20 0 EAADRO COCC1(CNC(=O)CC(N)=O)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001162182947 793617347 /nfs/dbraw/zinc/61/73/47/793617347.db2.gz WJPMVOURFOHJGH-UHFFFAOYSA-N 1 0 343.384 -2.099 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001162183128 793617206 /nfs/dbraw/zinc/61/72/06/793617206.db2.gz CABJGEOSPAWHNP-GHMZBOCLSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001162183130 793617310 /nfs/dbraw/zinc/61/73/10/793617310.db2.gz CABJGEOSPAWHNP-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001162183133 793618125 /nfs/dbraw/zinc/61/81/25/793618125.db2.gz CABJGEOSPAWHNP-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001162183135 793618279 /nfs/dbraw/zinc/61/82/79/793618279.db2.gz CABJGEOSPAWHNP-WDEREUQCSA-N 1 0 341.412 -1.015 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C[C@H]1CCCC(=O)N1)C(=O)NC(N)=O ZINC001162183684 793616888 /nfs/dbraw/zinc/61/68/88/793616888.db2.gz LPKJSRMUBNACQM-NXEZZACHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C[C@@H]1CCCC(=O)N1)C(=O)NC(N)=O ZINC001162183687 793617547 /nfs/dbraw/zinc/61/75/47/793617547.db2.gz LPKJSRMUBNACQM-UWVGGRQHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C[C@H]1CCCC(=O)N1)C(=O)NC(N)=O ZINC001162183688 793617356 /nfs/dbraw/zinc/61/73/56/793617356.db2.gz LPKJSRMUBNACQM-VHSXEESVSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CCCC(=O)N1)C(=O)NC(N)=O ZINC001162183689 793617484 /nfs/dbraw/zinc/61/74/84/793617484.db2.gz LPKJSRMUBNACQM-ZJUUUORDSA-N 1 0 327.385 -1.276 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)c1ccc(C(N)=O)o1)S(C)(=O)=O ZINC001162188630 793617946 /nfs/dbraw/zinc/61/79/46/793617946.db2.gz DSMPOLLPZZQEGA-UHFFFAOYSA-N 1 0 346.409 -1.021 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(C(N)=O)o1 ZINC001162188851 793617268 /nfs/dbraw/zinc/61/72/68/793617268.db2.gz HJCVHNQGGKGSGF-UHFFFAOYSA-N 1 0 325.325 -1.456 20 0 EAADRO NC(=O)c1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)o1 ZINC001162188954 793618326 /nfs/dbraw/zinc/61/83/26/793618326.db2.gz JTVYQKZITHGOFG-UHFFFAOYSA-N 1 0 338.364 -1.053 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1ccc(C(N)=O)o1 ZINC001162188955 793617278 /nfs/dbraw/zinc/61/72/78/793617278.db2.gz JUNASRUIKJKQKE-UHFFFAOYSA-N 1 0 332.382 -1.363 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(C(N)=O)o1 ZINC001162189063 793617538 /nfs/dbraw/zinc/61/75/38/793617538.db2.gz MDAZSAIEVUJHIA-UHFFFAOYSA-N 1 0 339.352 -1.066 20 0 EAADRO NC(=O)c1ccc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)o1 ZINC001162189373 793618300 /nfs/dbraw/zinc/61/83/00/793618300.db2.gz VPXOJWMHHSSVLU-UHFFFAOYSA-N 1 0 337.336 -1.360 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(C(N)=O)o1)C(=O)NC(N)=O ZINC001162193169 793617608 /nfs/dbraw/zinc/61/76/08/793617608.db2.gz IXFOJHHNHOMZIR-SSDOTTSWSA-N 1 0 325.325 -1.329 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(C(N)=O)o1)C(=O)NC(N)=O ZINC001162193170 793616916 /nfs/dbraw/zinc/61/69/16/793616916.db2.gz IXFOJHHNHOMZIR-ZETCQYMHSA-N 1 0 325.325 -1.329 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccc(C(N)=O)o1 ZINC001162194177 793617315 /nfs/dbraw/zinc/61/73/15/793617315.db2.gz WGLVAHMTFDMJRI-MRVPVSSYSA-N 1 0 339.352 -1.068 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccc(C(N)=O)o1 ZINC001162194179 793617502 /nfs/dbraw/zinc/61/75/02/793617502.db2.gz WGLVAHMTFDMJRI-QMMMGPOBSA-N 1 0 339.352 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(OC)n(C)n1 ZINC001162219304 793619751 /nfs/dbraw/zinc/61/97/51/793619751.db2.gz KJQYYUFRLYTGSS-UHFFFAOYSA-N 1 0 326.357 -1.406 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(OC)n(C)n1 ZINC001162219753 793620029 /nfs/dbraw/zinc/62/00/29/793620029.db2.gz UFDMTWPRZXPLPB-UHFFFAOYSA-N 1 0 340.384 -1.016 20 0 EAADRO COc1cc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)nn1C ZINC001162219839 793619815 /nfs/dbraw/zinc/61/98/15/793619815.db2.gz XCYIKEXNWXYKAJ-UHFFFAOYSA-N 1 0 339.396 -1.003 20 0 EAADRO COc1cnc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)nc1 ZINC001162223419 793619322 /nfs/dbraw/zinc/61/93/22/793619322.db2.gz ATXWILITJAMQRE-UHFFFAOYSA-N 1 0 336.352 -1.254 20 0 EAADRO COc1cc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)nn1C ZINC001162223469 793619365 /nfs/dbraw/zinc/61/93/65/793619365.db2.gz DCSCEIIHMUBRAW-UHFFFAOYSA-N 1 0 333.414 -1.313 20 0 EAADRO COc1cnc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)nc1 ZINC001162223660 793619114 /nfs/dbraw/zinc/61/91/14/793619114.db2.gz HMTRDMBSTYCVMR-UHFFFAOYSA-N 1 0 331.398 -1.256 20 0 EAADRO COc1cc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)nn1C ZINC001162223696 793619667 /nfs/dbraw/zinc/61/96/67/793619667.db2.gz JIKPQDGVNHBNNZ-UHFFFAOYSA-N 1 0 338.368 -1.310 20 0 EAADRO COCC1(CNC(=O)CN2CN=NC2=O)CC[NH+](CCO)CC1 ZINC001162224555 793619395 /nfs/dbraw/zinc/61/93/95/793619395.db2.gz KFCQJHBVCNRASS-UHFFFAOYSA-N 1 0 327.385 -1.179 20 0 EAADRO COc1cc(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)nn1C ZINC001162227918 793619062 /nfs/dbraw/zinc/61/90/62/793619062.db2.gz BGRVXTVKOZRAPW-MRVPVSSYSA-N 1 0 326.357 -1.278 20 0 EAADRO COc1cc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)nn1C ZINC001162227919 793620054 /nfs/dbraw/zinc/62/00/54/793620054.db2.gz BGRVXTVKOZRAPW-QMMMGPOBSA-N 1 0 326.357 -1.278 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cc(OC)n(C)n1 ZINC001162229426 793619201 /nfs/dbraw/zinc/61/92/01/793619201.db2.gz XSEICOYMFNUZRO-SECBINFHSA-N 1 0 340.384 -1.018 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(OC)n(C)n1 ZINC001162229427 793619340 /nfs/dbraw/zinc/61/93/40/793619340.db2.gz XSEICOYMFNUZRO-VIFPVBQESA-N 1 0 340.384 -1.018 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+](CCOCCO)CC1 ZINC001162229925 793619441 /nfs/dbraw/zinc/61/94/41/793619441.db2.gz GUNVQAHRSSXBPY-UHFFFAOYSA-N 1 0 345.440 -1.024 20 0 EAADRO COCC1(CNC(=O)[C@H](C)NC(N)=O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162230127 793620100 /nfs/dbraw/zinc/62/01/00/793620100.db2.gz LEUNCJGJZAGKBQ-QWRGUYRKSA-N 1 0 343.428 -1.238 20 0 EAADRO COCC1(CNC(=O)[C@H](C)NC(N)=O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162230128 793619162 /nfs/dbraw/zinc/61/91/62/793619162.db2.gz LEUNCJGJZAGKBQ-WDEREUQCSA-N 1 0 343.428 -1.238 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001162230144 793619990 /nfs/dbraw/zinc/61/99/90/793619990.db2.gz MBGDNDHMTFFVDM-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001162230145 793619345 /nfs/dbraw/zinc/61/93/45/793619345.db2.gz MBGDNDHMTFFVDM-LBPRGKRZSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+](CC(=O)NC)CC1 ZINC001162230181 793619936 /nfs/dbraw/zinc/61/99/36/793619936.db2.gz ODFWXZZOWGHVGI-UHFFFAOYSA-N 1 0 328.413 -1.287 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+](C[C@@H](O)COC)CC1 ZINC001162230368 793618605 /nfs/dbraw/zinc/61/86/05/793618605.db2.gz UPRWPPDORDVCJN-CYBMUJFWSA-N 1 0 345.440 -1.025 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+](C[C@H](O)COC)CC1 ZINC001162230369 793619524 /nfs/dbraw/zinc/61/95/24/793619524.db2.gz UPRWPPDORDVCJN-ZDUSSCGKSA-N 1 0 345.440 -1.025 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@H](C)NC(N)=O)(COC)CC1 ZINC001162230416 793619428 /nfs/dbraw/zinc/61/94/28/793619428.db2.gz VWYRVBCMVCXWAA-NSHDSACASA-N 1 0 343.428 -1.366 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162230423 793619736 /nfs/dbraw/zinc/61/97/36/793619736.db2.gz WJDQFWPZEZXKHR-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO CNC(=O)CC(=O)NCC1(COC)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162230424 793618771 /nfs/dbraw/zinc/61/87/71/793618771.db2.gz 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CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2COC(=O)N2)(COC)CC1 ZINC001162242467 793619570 /nfs/dbraw/zinc/61/95/70/793619570.db2.gz UCBPGYBGTBVBEC-LLVKDONJSA-N 1 0 342.396 -1.314 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2COC(=O)N2)(COC)CC1 ZINC001162242468 793619457 /nfs/dbraw/zinc/61/94/57/793619457.db2.gz UCBPGYBGTBVBEC-NSHDSACASA-N 1 0 342.396 -1.314 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccn(CCOC)n1 ZINC001162264797 793619275 /nfs/dbraw/zinc/61/92/75/793619275.db2.gz VNVGVVBYTCCZGF-UHFFFAOYSA-N 1 0 340.384 -1.305 20 0 EAADRO COCCn1ccc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001162264814 793619510 /nfs/dbraw/zinc/61/95/10/793619510.db2.gz WJMOXNUBNOSJJP-UHFFFAOYSA-N 1 0 337.384 -1.139 20 0 EAADRO COCCn1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001162265158 793619301 /nfs/dbraw/zinc/61/93/01/793619301.db2.gz ZHJVEXFQGLYQHA-UHFFFAOYSA-N 1 0 326.357 -1.566 20 0 EAADRO COCCn1ccc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)n1 ZINC001162270520 793619131 /nfs/dbraw/zinc/61/91/31/793619131.db2.gz FNXPEJJDEKDBKV-JTQLQIEISA-N 1 0 340.384 -1.178 20 0 EAADRO COCCn1ccc(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)n1 ZINC001162270521 793619484 /nfs/dbraw/zinc/61/94/84/793619484.db2.gz FNXPEJJDEKDBKV-SNVBAGLBSA-N 1 0 340.384 -1.178 20 0 EAADRO COCCn1ccc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001162270867 793619795 /nfs/dbraw/zinc/61/97/95/793619795.db2.gz LLWSRGSIWCZXDC-UHFFFAOYSA-N 1 0 347.441 -1.212 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cn(C)ccc1=O ZINC001162271196 793620067 /nfs/dbraw/zinc/62/00/67/793620067.db2.gz SKOCLSIFVYSFQX-UHFFFAOYSA-N 1 0 337.380 -1.060 20 0 EAADRO Cn1ccc(=O)c(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)c1 ZINC001162271302 793618938 /nfs/dbraw/zinc/61/89/38/793618938.db2.gz ZONNKEXRXZZDNI-UHFFFAOYSA-N 1 0 336.392 -1.046 20 0 EAADRO Cn1ccc(=O)c(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001162271303 793619382 /nfs/dbraw/zinc/61/93/82/793619382.db2.gz ZOWBSKONBNVBJN-UHFFFAOYSA-N 1 0 349.391 -1.947 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)Cn2ncnn2)(COC)CC1 ZINC001162275273 793618636 /nfs/dbraw/zinc/61/86/36/793618636.db2.gz IZLJCUGEAKSYDI-UHFFFAOYSA-N 1 0 339.400 -1.736 20 0 EAADRO COCC1(CNC(=O)Cn2ncnn2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162275319 793619082 /nfs/dbraw/zinc/61/90/82/793619082.db2.gz LHNRAYJVECPUBS-LLVKDONJSA-N 1 0 339.400 -1.608 20 0 EAADRO COCC1(CNC(=O)Cn2ncnn2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162275320 793618962 /nfs/dbraw/zinc/61/89/62/793618962.db2.gz LHNRAYJVECPUBS-NSHDSACASA-N 1 0 339.400 -1.608 20 0 EAADRO COCC1(CNC(=O)Cn2ncnn2)CC[NH+](CCCO)CC1 ZINC001162275362 793619773 /nfs/dbraw/zinc/61/97/73/793619773.db2.gz MZAJEKCXMWZRGX-UHFFFAOYSA-N 1 0 326.401 -1.100 20 0 EAADRO COCC1(CNC(=O)Cn2ncnn2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162275493 793618798 /nfs/dbraw/zinc/61/87/98/793618798.db2.gz UEPJZZQNMGGFIS-GFCCVEGCSA-N 1 0 326.401 -1.101 20 0 EAADRO COCC1(CNC(=O)Cn2ncnn2)CC[NH+](C[C@H](C)O)CC1 ZINC001162275494 793619356 /nfs/dbraw/zinc/61/93/56/793619356.db2.gz UEPJZZQNMGGFIS-LBPRGKRZSA-N 1 0 326.401 -1.101 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)c1cn(C)ccc1=O)S(C)(=O)=O ZINC001162277988 793619896 /nfs/dbraw/zinc/61/98/96/793619896.db2.gz TVFRXPLIVNCQQC-UHFFFAOYSA-N 1 0 344.437 -1.014 20 0 EAADRO Cc1cnc(COCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)o1 ZINC001162277997 793618715 /nfs/dbraw/zinc/61/87/15/793618715.db2.gz UJRJDJXLSYERSD-UHFFFAOYSA-N 1 0 327.341 -1.210 20 0 EAADRO Cn1ccc(=O)c(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001162280767 793618905 /nfs/dbraw/zinc/61/89/05/793618905.db2.gz CZOJKRLRQXYAMK-UHFFFAOYSA-N 1 0 335.364 -1.353 20 0 EAADRO Cn1ccc(=O)c(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)c1 ZINC001162281747 793619784 /nfs/dbraw/zinc/61/97/84/793619784.db2.gz WXLFHLGRTWHWIF-UHFFFAOYSA-N 1 0 330.410 -1.356 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn(C)ccc1=O ZINC001162281879 793618983 /nfs/dbraw/zinc/61/89/83/793618983.db2.gz XIGZLYVZBQYLSD-JTQLQIEISA-N 1 0 337.380 -1.061 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cn(C)ccc1=O ZINC001162281880 793619660 /nfs/dbraw/zinc/61/96/60/793619660.db2.gz 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ZINC001162285295 793618576 /nfs/dbraw/zinc/61/85/76/793618576.db2.gz PFQXXTGFFABEDQ-UHFFFAOYSA-N 1 0 347.379 -1.079 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)Cn2nccn2)(COC)CC1 ZINC001162288140 793619177 /nfs/dbraw/zinc/61/91/77/793619177.db2.gz ISWFZODCEWSEIE-UHFFFAOYSA-N 1 0 338.412 -1.131 20 0 EAADRO COCC1(CNC(=O)Cn2nccn2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162288195 793618877 /nfs/dbraw/zinc/61/88/77/793618877.db2.gz KNBOMGXGNSSSFS-GFCCVEGCSA-N 1 0 338.412 -1.003 20 0 EAADRO COCC1(CNC(=O)Cn2nccn2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162288196 793619233 /nfs/dbraw/zinc/61/92/33/793619233.db2.gz KNBOMGXGNSSSFS-LBPRGKRZSA-N 1 0 338.412 -1.003 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162288308 793618951 /nfs/dbraw/zinc/61/89/51/793618951.db2.gz MFFRFOWIQCVMJX-CYBMUJFWSA-N 1 0 345.440 -1.025 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162288309 793619379 /nfs/dbraw/zinc/61/93/79/793619379.db2.gz MFFRFOWIQCVMJX-ZDUSSCGKSA-N 1 0 345.440 -1.025 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1ccnc2n[nH]nc21 ZINC001162289551 793618683 /nfs/dbraw/zinc/61/86/83/793618683.db2.gz APVZXTDJQQRZFP-UHFFFAOYSA-N 1 0 341.397 -1.388 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1ccnc2n[nH]nc21)C(=O)NC(N)=O ZINC001162289667 793619536 /nfs/dbraw/zinc/61/95/36/793619536.db2.gz HJULNMVDBYXABG-SSDOTTSWSA-N 1 0 334.340 -1.354 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1ccnc2n[nH]nc21)C(=O)NC(N)=O ZINC001162289668 793619474 /nfs/dbraw/zinc/61/94/74/793619474.db2.gz HJULNMVDBYXABG-ZETCQYMHSA-N 1 0 334.340 -1.354 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccnc2n[nH]nc21 ZINC001162289820 793619362 /nfs/dbraw/zinc/61/93/62/793619362.db2.gz PBTSDYVHZQSVAN-MRVPVSSYSA-N 1 0 348.367 -1.094 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccnc2n[nH]nc21 ZINC001162289821 793619152 /nfs/dbraw/zinc/61/91/52/793619152.db2.gz PBTSDYVHZQSVAN-QMMMGPOBSA-N 1 0 348.367 -1.094 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)c1ccnc2n[nH]nc21 ZINC001162289838 793619636 /nfs/dbraw/zinc/61/96/36/793619636.db2.gz PUAFDQWNZHKHAB-UHFFFAOYSA-N 1 0 346.351 -1.386 20 0 EAADRO COCC(=O)N(C)CC(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162291877 793619390 /nfs/dbraw/zinc/61/93/90/793619390.db2.gz NOTFZEZKIXQSSN-UHFFFAOYSA-N 1 0 345.440 -1.072 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)CNC(=O)NC)(COC)CC1 ZINC001162295901 793619188 /nfs/dbraw/zinc/61/91/88/793619188.db2.gz LLPXZOLLWLXRCD-UHFFFAOYSA-N 1 0 343.428 -1.494 20 0 EAADRO CNC(=O)NCC(=O)NCC1(COC)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162295925 793619311 /nfs/dbraw/zinc/61/93/11/793619311.db2.gz MMJNGAKSRMHPSZ-LLVKDONJSA-N 1 0 343.428 -1.366 20 0 EAADRO CNC(=O)NCC(=O)NCC1(COC)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162295926 793619759 /nfs/dbraw/zinc/61/97/59/793619759.db2.gz MMJNGAKSRMHPSZ-NSHDSACASA-N 1 0 343.428 -1.366 20 0 EAADRO COCC(=O)NCCC(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162296485 793619859 /nfs/dbraw/zinc/61/98/59/793619859.db2.gz XIZLOXSTMSJHNN-UHFFFAOYSA-N 1 0 345.440 -1.024 20 0 EAADRO COCC1(CNC(=O)CN2CCOCC2=O)CC[NH+](CCO)CC1 ZINC001162300414 793619353 /nfs/dbraw/zinc/61/93/53/793619353.db2.gz IQTHPHSSUKACDG-UHFFFAOYSA-N 1 0 343.424 -1.318 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc2n(n1)CCCO2 ZINC001162305087 793621764 /nfs/dbraw/zinc/62/17/64/793621764.db2.gz IANBJHKFRKSXBY-UHFFFAOYSA-N 1 0 338.368 -1.169 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cc2n(n1)CCCO2 ZINC001162305144 793620599 /nfs/dbraw/zinc/62/05/99/793620599.db2.gz KALAZQUKWUQZIJ-UHFFFAOYSA-N 1 0 345.425 -1.076 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cc2n(n1)CCCO2)C(=O)NC(N)=O ZINC001162305241 793620623 /nfs/dbraw/zinc/62/06/23/793620623.db2.gz KPGDYQUWFLYTHE-SECBINFHSA-N 1 0 338.368 -1.042 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cc2n(n1)CCCO2)C(=O)NC(N)=O ZINC001162305243 793620981 /nfs/dbraw/zinc/62/09/81/793620981.db2.gz KPGDYQUWFLYTHE-VIFPVBQESA-N 1 0 338.368 -1.042 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cc3n(n2)CCCO3)nc1=O ZINC001162305650 793620881 /nfs/dbraw/zinc/62/08/81/793620881.db2.gz VATCXWNHMGEEGP-UHFFFAOYSA-N 1 0 335.368 -1.003 20 0 EAADRO COCC1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC[NH+](CCO)CC1 ZINC001162306482 793620368 /nfs/dbraw/zinc/62/03/68/793620368.db2.gz NFCPXBGEJKJMML-NSHDSACASA-N 1 0 342.396 -1.578 20 0 EAADRO COc1nccc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001162310622 793621400 /nfs/dbraw/zinc/62/14/00/793621400.db2.gz SQPUKIKQIHVIEI-UHFFFAOYSA-N 1 0 336.352 -1.254 20 0 EAADRO COc1nccc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001162310862 793621372 /nfs/dbraw/zinc/62/13/72/793621372.db2.gz UIKIUMCCGORYTL-UHFFFAOYSA-N 1 0 331.398 -1.256 20 0 EAADRO COCC1(CNC(=O)Cn2ncn(C)c2=O)CC[NH+](CCO)CC1 ZINC001162335418 793620333 /nfs/dbraw/zinc/62/03/33/793620333.db2.gz IVANUFLCSPFWRM-UHFFFAOYSA-N 1 0 341.412 -1.581 20 0 EAADRO CC[NH+]1CCC(CNC(=O)CNS(=O)(=O)NC)(COC)CC1 ZINC001162373721 793621631 /nfs/dbraw/zinc/62/16/31/793621631.db2.gz NHVNMVJSTIUGGT-UHFFFAOYSA-N 1 0 336.458 -1.095 20 0 EAADRO COCC1(CNC(=O)[C@H]2CCNC2=O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162391369 793621281 /nfs/dbraw/zinc/62/12/81/793621281.db2.gz BLUUSQCKZOCOPL-NEPJUHHUSA-N 1 0 340.424 -1.159 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CCNC2=O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162391370 793621543 /nfs/dbraw/zinc/62/15/43/793621543.db2.gz BLUUSQCKZOCOPL-NWDGAFQWSA-N 1 0 340.424 -1.159 20 0 EAADRO COCC1(CNC(=O)[C@H]2CCNC2=O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162391371 793620571 /nfs/dbraw/zinc/62/05/71/793620571.db2.gz BLUUSQCKZOCOPL-RYUDHWBXSA-N 1 0 340.424 -1.159 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CCNC2=O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162391372 793620580 /nfs/dbraw/zinc/62/05/80/793620580.db2.gz BLUUSQCKZOCOPL-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO COCC1(CNC(=O)CN2CCNC(=O)C2)CC[NH+](CCO)CC1 ZINC001162391747 793620847 /nfs/dbraw/zinc/62/08/47/793620847.db2.gz FQUGYZLQYGILIP-UHFFFAOYSA-N 1 0 342.440 -1.745 20 0 EAADRO COCC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CC[NH+](CCO)CC1 ZINC001162392853 793621539 /nfs/dbraw/zinc/62/15/39/793621539.db2.gz OQDWYELJUHAVSF-GFCCVEGCSA-N 1 0 328.413 -1.153 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC[NH+](CCO)CC1 ZINC001162392856 793621367 /nfs/dbraw/zinc/62/13/67/793621367.db2.gz OQDWYELJUHAVSF-LBPRGKRZSA-N 1 0 328.413 -1.153 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCNC2=O)(COC)CC1 ZINC001162393290 793620587 /nfs/dbraw/zinc/62/05/87/793620587.db2.gz TXLGWMHPFKLHDI-GFCCVEGCSA-N 1 0 340.424 -1.287 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCNC2=O)(COC)CC1 ZINC001162393293 793620414 /nfs/dbraw/zinc/62/04/14/793620414.db2.gz TXLGWMHPFKLHDI-LBPRGKRZSA-N 1 0 340.424 -1.287 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)c2nnn(C)n2)(COC)CC1 ZINC001162418494 793621528 /nfs/dbraw/zinc/62/15/28/793621528.db2.gz BNBHQSQMOZLFLR-UHFFFAOYSA-N 1 0 339.400 -1.586 20 0 EAADRO COCC1(CNC(=O)c2nnn(C)n2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162419731 793621577 /nfs/dbraw/zinc/62/15/77/793621577.db2.gz UURUWHUOBKEDNS-JTQLQIEISA-N 1 0 339.400 -1.458 20 0 EAADRO COCC1(CNC(=O)c2nnn(C)n2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162419732 793621254 /nfs/dbraw/zinc/62/12/54/793621254.db2.gz UURUWHUOBKEDNS-SNVBAGLBSA-N 1 0 339.400 -1.458 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccc2nnnn2c1 ZINC001162440675 793622293 /nfs/dbraw/zinc/62/22/93/793622293.db2.gz DFNWPSKLVXMZRE-JTQLQIEISA-N 1 0 331.336 -1.361 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2nnnn2c1 ZINC001162440676 793622925 /nfs/dbraw/zinc/62/29/25/793622925.db2.gz DFNWPSKLVXMZRE-SNVBAGLBSA-N 1 0 331.336 -1.361 20 0 EAADRO COCC1(CNC(=O)[C@H]2CNC(=O)N2)CC[NH+](CCCO)CC1 ZINC001162440837 793623169 /nfs/dbraw/zinc/62/31/69/793623169.db2.gz BNHVJDRPCXDHJY-GFCCVEGCSA-N 1 0 328.413 -1.105 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CNC(=O)N2)CC[NH+](CCCO)CC1 ZINC001162440842 793622526 /nfs/dbraw/zinc/62/25/26/793622526.db2.gz BNHVJDRPCXDHJY-LBPRGKRZSA-N 1 0 328.413 -1.105 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CNC(=O)N2)(COC)CC1 ZINC001162440896 793623190 /nfs/dbraw/zinc/62/31/90/793623190.db2.gz DVUITZHCRNBCAG-LLVKDONJSA-N 1 0 341.412 -1.741 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CNC(=O)N2)(COC)CC1 ZINC001162440897 793622675 /nfs/dbraw/zinc/62/26/75/793622675.db2.gz DVUITZHCRNBCAG-NSHDSACASA-N 1 0 341.412 -1.741 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCNC1=O)c1ccc2nnnn2c1 ZINC001162440975 793624895 /nfs/dbraw/zinc/62/48/95/793624895.db2.gz IWTIDXCYJKHQBE-UHFFFAOYSA-N 1 0 332.368 -1.141 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)c1ccc2nnnn2c1 ZINC001162440992 793625012 /nfs/dbraw/zinc/62/50/12/793625012.db2.gz JOIIQZFJBNCWBU-UHFFFAOYSA-N 1 0 349.395 -1.014 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)c1ccc2nnnn2c1 ZINC001162440997 793624833 /nfs/dbraw/zinc/62/48/33/793624833.db2.gz JQYVPOSSBMPVRO-UHFFFAOYSA-N 1 0 349.395 -1.014 20 0 EAADRO COCC1(CNC(=O)[C@H]2CNC(=O)N2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162441152 793624664 /nfs/dbraw/zinc/62/46/64/793624664.db2.gz IVULSFPCJCKHGG-GHMZBOCLSA-N 1 0 341.412 -1.614 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CNC(=O)N2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162441156 793623870 /nfs/dbraw/zinc/62/38/70/793623870.db2.gz IVULSFPCJCKHGG-MNOVXSKESA-N 1 0 341.412 -1.614 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CNC(=O)N2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162441158 793623823 /nfs/dbraw/zinc/62/38/23/793623823.db2.gz IVULSFPCJCKHGG-QWRGUYRKSA-N 1 0 341.412 -1.614 20 0 EAADRO COCC1(CNC(=O)[C@H]2CNC(=O)N2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162441160 793623915 /nfs/dbraw/zinc/62/39/15/793623915.db2.gz IVULSFPCJCKHGG-WDEREUQCSA-N 1 0 341.412 -1.614 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)c1ccc2nnnn2c1 ZINC001162441260 793624647 /nfs/dbraw/zinc/62/46/47/793624647.db2.gz MTMAIMBTFPARNZ-UHFFFAOYSA-N 1 0 326.382 -1.122 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CNC(=O)N2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162441617 793623928 /nfs/dbraw/zinc/62/39/28/793623928.db2.gz PPQWFUUMQGCSJJ-NEPJUHHUSA-N 1 0 328.413 -1.107 20 0 EAADRO COCC1(CNC(=O)[C@H]2CNC(=O)N2)CC[NH+](C[C@H](C)O)CC1 ZINC001162441618 793624478 /nfs/dbraw/zinc/62/44/78/793624478.db2.gz PPQWFUUMQGCSJJ-NWDGAFQWSA-N 1 0 328.413 -1.107 20 0 EAADRO COCC1(CNC(=O)[C@@H]2CNC(=O)N2)CC[NH+](C[C@H](C)O)CC1 ZINC001162441619 793624739 /nfs/dbraw/zinc/62/47/39/793624739.db2.gz PPQWFUUMQGCSJJ-RYUDHWBXSA-N 1 0 328.413 -1.107 20 0 EAADRO COCC1(CNC(=O)[C@H]2CNC(=O)N2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162441620 793624031 /nfs/dbraw/zinc/62/40/31/793624031.db2.gz PPQWFUUMQGCSJJ-VXGBXAGGSA-N 1 0 328.413 -1.107 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1ccc2nnnn2c1)N1CCOCC1 ZINC001162441755 793624096 /nfs/dbraw/zinc/62/40/96/793624096.db2.gz WBLCETJVPKJVCV-UHFFFAOYSA-N 1 0 347.379 -1.307 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc2nnnn2c1 ZINC001162441833 793624798 /nfs/dbraw/zinc/62/47/98/793624798.db2.gz WXPWCQMQUNTPCH-UHFFFAOYSA-N 1 0 348.367 -1.321 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)c1ccc2nnnn2c1 ZINC001162441860 793624828 /nfs/dbraw/zinc/62/48/28/793624828.db2.gz XBWVYRCPDWBZKJ-UHFFFAOYSA-N 1 0 349.395 -1.014 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2ccc3nnnn3c2)nc1=O ZINC001162441882 793624987 /nfs/dbraw/zinc/62/49/87/793624987.db2.gz XHYWESPNBKUPQG-UHFFFAOYSA-N 1 0 331.340 -1.544 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc2nnnn2c1 ZINC001162441973 793624927 /nfs/dbraw/zinc/62/49/27/793624927.db2.gz YDWGDUNUERYKPB-UHFFFAOYSA-N 1 0 334.340 -1.711 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@@H]21 ZINC001162443764 793624188 /nfs/dbraw/zinc/62/41/88/793624188.db2.gz JLNUDDNIOVTZQN-KFWWJZLASA-N 1 0 334.428 -1.648 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2NCN[C@@H]21 ZINC001162443765 793624423 /nfs/dbraw/zinc/62/44/23/793624423.db2.gz JLNUDDNIOVTZQN-RBSFLKMASA-N 1 0 334.428 -1.648 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2NCN[C@H]21 ZINC001162443766 793624944 /nfs/dbraw/zinc/62/49/44/793624944.db2.gz JLNUDDNIOVTZQN-RRFJBIMHSA-N 1 0 334.428 -1.648 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@H]21 ZINC001162443767 793624148 /nfs/dbraw/zinc/62/41/48/793624148.db2.gz JLNUDDNIOVTZQN-ZNMIVQPWSA-N 1 0 334.428 -1.648 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2NCN[C@H]21 ZINC001162445330 793624595 /nfs/dbraw/zinc/62/45/95/793624595.db2.gz SRTLKQOJYRJFEZ-ARFHVFGLSA-N 1 0 333.440 -1.043 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2NCN[C@@H]21 ZINC001162445334 793626478 /nfs/dbraw/zinc/62/64/78/793626478.db2.gz SRTLKQOJYRJFEZ-BZUAXINKSA-N 1 0 333.440 -1.043 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001162445335 793626318 /nfs/dbraw/zinc/62/63/18/793626318.db2.gz SRTLKQOJYRJFEZ-OAGGEKHMSA-N 1 0 333.440 -1.043 20 0 EAADRO N[C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2NCN[C@H]21 ZINC001162445337 793626891 /nfs/dbraw/zinc/62/68/91/793626891.db2.gz SRTLKQOJYRJFEZ-XHSDSOJGSA-N 1 0 333.440 -1.043 20 0 EAADRO N[C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2NCN[C@@H]21 ZINC001162447411 793626122 /nfs/dbraw/zinc/62/61/22/793626122.db2.gz MMBNXUDWMQNDBO-BZPMIXESSA-N 1 0 332.412 -2.376 20 0 EAADRO N[C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2NCN[C@H]21 ZINC001162447412 793625713 /nfs/dbraw/zinc/62/57/13/793625713.db2.gz MMBNXUDWMQNDBO-OUCADQQQSA-N 1 0 332.412 -2.376 20 0 EAADRO N[C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2NCN[C@H]21 ZINC001162447413 793626024 /nfs/dbraw/zinc/62/60/24/793626024.db2.gz MMBNXUDWMQNDBO-SCRDCRAPSA-N 1 0 332.412 -2.376 20 0 EAADRO N[C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2NCN[C@@H]21 ZINC001162447414 793626106 /nfs/dbraw/zinc/62/61/06/793626106.db2.gz MMBNXUDWMQNDBO-YRGRVCCFSA-N 1 0 332.412 -2.376 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001162449414 793626130 /nfs/dbraw/zinc/62/61/30/793626130.db2.gz AJQHFGMVBHVIFL-UHFFFAOYSA-N 1 0 326.397 -1.405 20 0 EAADRO CCN1CC[C@@H]([NH+]2CCC(CNC(=O)C(N)=O)(COC)CC2)C1=O ZINC001162449464 793625736 /nfs/dbraw/zinc/62/57/36/793625736.db2.gz CHTYQKGFSPHQBB-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO CCN1CC[C@H]([NH+]2CCC(CNC(=O)C(N)=O)(COC)CC2)C1=O ZINC001162449465 793625680 /nfs/dbraw/zinc/62/56/80/793625680.db2.gz CHTYQKGFSPHQBB-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001162449686 793626399 /nfs/dbraw/zinc/62/63/99/793626399.db2.gz IZGAZYIQWLCEDU-LLVKDONJSA-N 1 0 340.424 -1.016 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001162449688 793626138 /nfs/dbraw/zinc/62/61/38/793626138.db2.gz IZGAZYIQWLCEDU-NSHDSACASA-N 1 0 340.424 -1.016 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001162449703 793626623 /nfs/dbraw/zinc/62/66/23/793626623.db2.gz JLPISOZUERKMQQ-JTQLQIEISA-N 1 0 340.380 -1.878 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001162449704 793626385 /nfs/dbraw/zinc/62/63/85/793626385.db2.gz JLPISOZUERKMQQ-SNVBAGLBSA-N 1 0 340.380 -1.878 20 0 EAADRO CCN(C)C(=O)C[NH+]1CCC(CNC(=O)C(N)=O)(COC)CC1 ZINC001162449716 793625407 /nfs/dbraw/zinc/62/54/07/793625407.db2.gz KGLSLNHWCGWZCP-UHFFFAOYSA-N 1 0 328.413 -1.205 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC001162449717 793626345 /nfs/dbraw/zinc/62/63/45/793626345.db2.gz KHNHLCOGKPHSPU-UHFFFAOYSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)N2CCC2)CC1 ZINC001162449729 793626726 /nfs/dbraw/zinc/62/67/26/793626726.db2.gz LGFCMJMXVUXGGV-UHFFFAOYSA-N 1 0 326.397 -1.451 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CCN2CCNC2=O)CC1 ZINC001162449839 793626815 /nfs/dbraw/zinc/62/68/15/793626815.db2.gz MTKHPUAEOKPWEU-UHFFFAOYSA-N 1 0 341.412 -1.658 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001162449876 793626433 /nfs/dbraw/zinc/62/64/33/793626433.db2.gz NULCFRZRDQVYGX-LLVKDONJSA-N 1 0 328.413 -1.207 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001162449877 793626207 /nfs/dbraw/zinc/62/62/07/793626207.db2.gz NULCFRZRDQVYGX-NSHDSACASA-N 1 0 328.413 -1.207 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)NC(C)C)CC1 ZINC001162450016 793625481 /nfs/dbraw/zinc/62/54/81/793625481.db2.gz PQVJTQQNLGWFGB-UHFFFAOYSA-N 1 0 328.413 -1.159 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001162450052 793625954 /nfs/dbraw/zinc/62/59/54/793625954.db2.gz ROEGSASVXFVMNH-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001162450053 793625437 /nfs/dbraw/zinc/62/54/37/793625437.db2.gz ROEGSASVXFVMNH-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001162450082 793626494 /nfs/dbraw/zinc/62/64/94/793626494.db2.gz SRPOETWSLLEAQL-UHFFFAOYSA-N 1 0 329.357 -2.489 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001162450088 793626039 /nfs/dbraw/zinc/62/60/39/793626039.db2.gz TUNMXRMXYNFZSJ-SECBINFHSA-N 1 0 343.384 -2.100 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001162450090 793626362 /nfs/dbraw/zinc/62/63/62/793626362.db2.gz TUNMXRMXYNFZSJ-VIFPVBQESA-N 1 0 343.384 -2.100 20 0 EAADRO CCCNC(=O)C[NH+]1CCC(CNC(=O)C(N)=O)(COC)CC1 ZINC001162450333 793626684 /nfs/dbraw/zinc/62/66/84/793626684.db2.gz VSKDGRWLDGKOTC-UHFFFAOYSA-N 1 0 328.413 -1.157 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001162450341 793628412 /nfs/dbraw/zinc/62/84/12/793628412.db2.gz VWHJYBUBDDHMLY-UHFFFAOYSA-N 1 0 340.424 -1.157 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)NCC2CC2)CC1 ZINC001162450379 793627483 /nfs/dbraw/zinc/62/74/83/793627483.db2.gz WOLFUROQJNJWHN-UHFFFAOYSA-N 1 0 340.424 -1.157 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001162450389 793628498 /nfs/dbraw/zinc/62/84/98/793628498.db2.gz WQBGKDKRFGSARX-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001162450392 793627853 /nfs/dbraw/zinc/62/78/53/793627853.db2.gz WQBGKDKRFGSARX-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO COCC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001162450396 793627312 /nfs/dbraw/zinc/62/73/12/793627312.db2.gz WQLBPBRNLWKSMT-UHFFFAOYSA-N 1 0 340.424 -1.061 20 0 EAADRO 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/nfs/dbraw/zinc/62/93/50/793629350.db2.gz UNTCLZRJRIPKPJ-GFCCVEGCSA-N 1 0 341.408 -1.124 20 0 EAADRO COCC1(CNC(=O)C[C@H]2CC(=O)NC2=O)CC[NH+](CCO)CC1 ZINC001162633556 793630155 /nfs/dbraw/zinc/63/01/55/793630155.db2.gz UNTCLZRJRIPKPJ-LBPRGKRZSA-N 1 0 341.408 -1.124 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)CN1CCCCS1(=O)=O)C(N)=O ZINC001162633837 793629616 /nfs/dbraw/zinc/62/96/16/793629616.db2.gz QXHKCUQPRGEJSY-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)CN1CCCCS1(=O)=O)C(N)=O ZINC001162633840 793629653 /nfs/dbraw/zinc/62/96/53/793629653.db2.gz QXHKCUQPRGEJSY-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO COc1coc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)cc1=O ZINC001162633971 793629447 /nfs/dbraw/zinc/62/94/47/793629447.db2.gz UFYXMHNTNHMWQL-UHFFFAOYSA-N 1 0 347.393 -1.093 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NCCC[NH2+]CCn1cncn1 ZINC001162633997 793629243 /nfs/dbraw/zinc/62/92/43/793629243.db2.gz VJKSQQGTBLHKMO-UHFFFAOYSA-N 1 0 344.441 -1.200 20 0 EAADRO COc1coc(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)cc1=O ZINC001162634028 793629196 /nfs/dbraw/zinc/62/91/96/793629196.db2.gz WWCXLBGBHQFXCT-MRVPVSSYSA-N 1 0 340.336 -1.059 20 0 EAADRO COc1coc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)cc1=O ZINC001162634029 793629409 /nfs/dbraw/zinc/62/94/09/793629409.db2.gz WWCXLBGBHQFXCT-QMMMGPOBSA-N 1 0 340.336 -1.059 20 0 EAADRO Cc1cncn1CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001162646267 793629593 /nfs/dbraw/zinc/62/95/93/793629593.db2.gz DJDMDRKENQDOEB-UHFFFAOYSA-N 1 0 348.407 -1.115 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162651700 793629442 /nfs/dbraw/zinc/62/94/42/793629442.db2.gz DAEOXLQUZAKMHV-UHFFFAOYSA-N 1 0 345.429 -1.768 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001162651745 793629645 /nfs/dbraw/zinc/62/96/45/793629645.db2.gz GEWCRROXJMAOQI-LLVKDONJSA-N 1 0 332.426 -1.604 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001162651746 793629213 /nfs/dbraw/zinc/62/92/13/793629213.db2.gz GEWCRROXJMAOQI-NSHDSACASA-N 1 0 332.426 -1.604 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)CN2CCCCS2(=O)=O)n1 ZINC001162651887 793629533 /nfs/dbraw/zinc/62/95/33/793629533.db2.gz ICLXLWBAQGSWGU-UHFFFAOYSA-N 1 0 344.441 -1.163 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001162652056 793629115 /nfs/dbraw/zinc/62/91/15/793629115.db2.gz LQWOHFJJNKPKSR-UHFFFAOYSA-N 1 0 346.453 -1.260 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1nnc2ccccc2n1 ZINC001162652078 793628962 /nfs/dbraw/zinc/62/89/62/793628962.db2.gz MPQLWEHTKBKFRQ-UHFFFAOYSA-N 1 0 331.336 -1.071 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652095 793629283 /nfs/dbraw/zinc/62/92/83/793629283.db2.gz NAWWWLUDJISKMU-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001162652113 793629662 /nfs/dbraw/zinc/62/96/62/793629662.db2.gz OGTYRPYARVHAAH-GFCCVEGCSA-N 1 0 346.453 -1.214 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001162652114 793630214 /nfs/dbraw/zinc/63/02/14/793630214.db2.gz OGTYRPYARVHAAH-LBPRGKRZSA-N 1 0 346.453 -1.214 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652122 793629485 /nfs/dbraw/zinc/62/94/85/793629485.db2.gz OSDYXNWOSNHPEB-UHFFFAOYSA-N 1 0 344.441 -1.163 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652203 793629450 /nfs/dbraw/zinc/62/94/50/793629450.db2.gz QVLKNRXVGBNKFN-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652284 793629733 /nfs/dbraw/zinc/62/97/33/793629733.db2.gz UBYXOWTZQVZBBQ-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652307 793629528 /nfs/dbraw/zinc/62/95/28/793629528.db2.gz UQPUIYTZEDSGCP-GFCCVEGCSA-N 1 0 337.442 -1.485 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652309 793629586 /nfs/dbraw/zinc/62/95/86/793629586.db2.gz UQPUIYTZEDSGCP-LBPRGKRZSA-N 1 0 337.442 -1.485 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O)NC1CC1 ZINC001162652337 793629490 /nfs/dbraw/zinc/62/94/90/793629490.db2.gz VMFHNCCHWXTFFD-UHFFFAOYSA-N 1 0 346.453 -1.214 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652354 793629507 /nfs/dbraw/zinc/62/95/07/793629507.db2.gz WMGKAKMWJVNYPK-UHFFFAOYSA-N 1 0 344.441 -1.163 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)CN1CCCCS1(=O)=O ZINC001162652381 793629853 /nfs/dbraw/zinc/62/98/53/793629853.db2.gz YHAJPRWLZAYDSM-UHFFFAOYSA-N 1 0 344.441 -1.163 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)CN2CCCCS2(=O)=O)nn1 ZINC001162652400 793629366 /nfs/dbraw/zinc/62/93/66/793629366.db2.gz ZGOTXEFODREQOI-UHFFFAOYSA-N 1 0 344.441 -1.163 20 0 EAADRO NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cnnn1 ZINC001162689210 793630184 /nfs/dbraw/zinc/63/01/84/793630184.db2.gz ZWGPCKASGJLRPO-UHFFFAOYSA-N 1 0 331.380 -1.181 20 0 EAADRO COCC1(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC001162697199 793629742 /nfs/dbraw/zinc/62/97/42/793629742.db2.gz WCZYVLHGRHIIJR-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cc(F)c[nH]1)N1CCNC(=O)C1 ZINC001162724453 793630139 /nfs/dbraw/zinc/63/01/39/793630139.db2.gz PBLRMUILTCZCCO-UHFFFAOYSA-N 1 0 325.344 -1.178 20 0 EAADRO O=C(Cc1ccc(=O)[nH]c1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001162736250 793629130 /nfs/dbraw/zinc/62/91/30/793629130.db2.gz HHNTZOFKKRUGBX-UHFFFAOYSA-N 1 0 349.391 -1.616 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001162741697 793629898 /nfs/dbraw/zinc/62/98/98/793629898.db2.gz FWBVVOSMDFXDGW-UHFFFAOYSA-N 1 0 330.410 -1.025 20 0 EAADRO O=C(Cc1ccc(=O)[nH]c1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001162742149 793629431 /nfs/dbraw/zinc/62/94/31/793629431.db2.gz LXVRTKGIUQPKAL-UHFFFAOYSA-N 1 0 335.364 -1.023 20 0 EAADRO Cn1nnc2cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cnc21 ZINC001162745824 793629577 /nfs/dbraw/zinc/62/95/77/793629577.db2.gz AQUWSOUTDVTANV-UHFFFAOYSA-N 1 0 334.340 -1.732 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cnc2c(c1)nnn2C)C(=O)NC(N)=O ZINC001162745904 793629624 /nfs/dbraw/zinc/62/96/24/793629624.db2.gz CSXCLLYGZAIBQA-MRVPVSSYSA-N 1 0 348.367 -1.344 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cnc2c(c1)nnn2C)C(=O)NC(N)=O ZINC001162745909 793629724 /nfs/dbraw/zinc/62/97/24/793629724.db2.gz CSXCLLYGZAIBQA-QMMMGPOBSA-N 1 0 348.367 -1.344 20 0 EAADRO Cn1nnc2cc(C(=O)NCCC[NH2+][C@H]3CCC(=O)NC3=O)cnc21 ZINC001162746157 793629609 /nfs/dbraw/zinc/62/96/09/793629609.db2.gz HFZUFAMJRLRTQI-JTQLQIEISA-N 1 0 345.363 -1.122 20 0 EAADRO Cn1nnc2cc(C(=O)NCCC[NH2+][C@@H]3CCC(=O)NC3=O)cnc21 ZINC001162746158 793629559 /nfs/dbraw/zinc/62/95/59/793629559.db2.gz HFZUFAMJRLRTQI-SNVBAGLBSA-N 1 0 345.363 -1.122 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnc2c(c1)nnn2C ZINC001162746647 793629454 /nfs/dbraw/zinc/62/94/54/793629454.db2.gz PMICNQLJHKITNQ-UHFFFAOYSA-N 1 0 348.367 -1.472 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)c1cnc2c(c1)nnn2C ZINC001162746837 793629831 /nfs/dbraw/zinc/62/98/31/793629831.db2.gz TWACTKAWCOMDQH-UHFFFAOYSA-N 1 0 330.356 -1.204 20 0 EAADRO Cn1nnc2cc(C(=O)NCCC[NH2+]Cc3nc(=O)n(C)[nH]3)cnc21 ZINC001162746987 793629400 /nfs/dbraw/zinc/62/94/00/793629400.db2.gz ZMTZDGCCSSWTOF-UHFFFAOYSA-N 1 0 345.367 -1.305 20 0 EAADRO NC(=O)CC(=O)N(CC[NH2+]CC(=O)NC(N)=O)CCc1ccccc1 ZINC001162750940 793629986 /nfs/dbraw/zinc/62/99/86/793629986.db2.gz CVAKLCGRFNYJJC-UHFFFAOYSA-N 1 0 349.391 -1.282 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001162791798 793629084 /nfs/dbraw/zinc/62/90/84/793629084.db2.gz BLVGINMBPQPTML-NEPJUHHUSA-N 1 0 328.413 -1.016 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCC[NH2+][C@@H]2CCNC2=O)O1 ZINC001162792553 793629049 /nfs/dbraw/zinc/62/90/49/793629049.db2.gz KBVKSWXFONLPAT-UTUOFQBUSA-N 1 0 326.397 -1.216 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCC[NH2+][C@H]2CCNC2=O)O1 ZINC001162792554 793629394 /nfs/dbraw/zinc/62/93/94/793629394.db2.gz KBVKSWXFONLPAT-WOPDTQHZSA-N 1 0 326.397 -1.216 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001162792582 793629583 /nfs/dbraw/zinc/62/95/83/793629583.db2.gz KILYCHRDHZPXSN-UPJWGTAASA-N 1 0 331.413 -1.097 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001162792587 793629515 /nfs/dbraw/zinc/62/95/15/793629515.db2.gz KILYCHRDHZPXSN-XQQFMLRXSA-N 1 0 331.413 -1.097 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001162792725 793629816 /nfs/dbraw/zinc/62/98/16/793629816.db2.gz MEGDUDNQQJCQCO-MNOVXSKESA-N 1 0 339.400 -1.381 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001162793187 793630065 /nfs/dbraw/zinc/63/00/65/793630065.db2.gz QCZNLCINZWJDDU-ZJUUUORDSA-N 1 0 343.384 -1.910 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001162793224 793630119 /nfs/dbraw/zinc/63/01/19/793630119.db2.gz RKBQLZPWPUZXNP-NEPJUHHUSA-N 1 0 349.453 -1.060 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ncc2cccnc21 ZINC001162798719 793629257 /nfs/dbraw/zinc/62/92/57/793629257.db2.gz KEOCCSWWFRGTDB-UHFFFAOYSA-N 1 0 333.352 -1.278 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCC[NH2+]CCOCCO)O1 ZINC001162799248 793630050 /nfs/dbraw/zinc/63/00/50/793630050.db2.gz XLZRQVQLWWELSW-OLZOCXBDSA-N 1 0 331.413 -1.096 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1ncc2cccnc21 ZINC001162799276 793629570 /nfs/dbraw/zinc/62/95/70/793629570.db2.gz YXWLYGPNXQBHDH-UHFFFAOYSA-N 1 0 347.379 -1.017 20 0 EAADRO NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)Cn1ncnn1 ZINC001162810363 793629521 /nfs/dbraw/zinc/62/95/21/793629521.db2.gz JPRNQUXEHBTVJY-UHFFFAOYSA-N 1 0 331.380 -1.181 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCc3nncn3CC2)nc1=O ZINC001162814458 793629387 /nfs/dbraw/zinc/62/93/87/793629387.db2.gz COSFYRMSZIREAF-LLVKDONJSA-N 1 0 348.411 -1.052 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCc3nncn3CC2)nc1=O ZINC001162814459 793629152 /nfs/dbraw/zinc/62/91/52/793629152.db2.gz COSFYRMSZIREAF-NSHDSACASA-N 1 0 348.411 -1.052 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2nncn2CC1 ZINC001162815720 793629339 /nfs/dbraw/zinc/62/93/39/793629339.db2.gz SPLARCBHHLRLMX-JTQLQIEISA-N 1 0 337.384 -1.479 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001162815721 793630127 /nfs/dbraw/zinc/63/01/27/793630127.db2.gz SPLARCBHHLRLMX-SNVBAGLBSA-N 1 0 337.384 -1.479 20 0 EAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ccnc(N)n1 ZINC001162844518 793629757 /nfs/dbraw/zinc/62/97/57/793629757.db2.gz BUIWLCBXHXKQRV-QWRGUYRKSA-N 1 0 344.379 -1.409 20 0 EAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cc(N)ncn1 ZINC001162845516 793629666 /nfs/dbraw/zinc/62/96/66/793629666.db2.gz KTUCQJSOWLAESF-QWRGUYRKSA-N 1 0 344.379 -1.409 20 0 EAADRO C[C@H]1CO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001162851626 793628993 /nfs/dbraw/zinc/62/89/93/793628993.db2.gz QXUVTESHMPROIX-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1CO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001162851627 793629232 /nfs/dbraw/zinc/62/92/32/793629232.db2.gz QXUVTESHMPROIX-NWDGAFQWSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@@H]1CO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001162851628 793629305 /nfs/dbraw/zinc/62/93/05/793629305.db2.gz QXUVTESHMPROIX-RYUDHWBXSA-N 1 0 326.397 -1.534 20 0 EAADRO C[C@H]1CO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001162851629 793629427 /nfs/dbraw/zinc/62/94/27/793629427.db2.gz QXUVTESHMPROIX-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)ncc1=O ZINC001162866588 793629457 /nfs/dbraw/zinc/62/94/57/793629457.db2.gz DADARTGRPBZUFL-UHFFFAOYSA-N 1 0 347.379 -1.188 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162866656 793631659 /nfs/dbraw/zinc/63/16/59/793631659.db2.gz DUTUUCNWTQPUHT-UHFFFAOYSA-N 1 0 339.396 -1.358 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)ncc1=O ZINC001162867496 793631897 /nfs/dbraw/zinc/63/18/97/793631897.db2.gz OGDPCTDDSPGZHS-UHFFFAOYSA-N 1 0 345.363 -1.082 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)ncc1=O ZINC001162867777 793630727 /nfs/dbraw/zinc/63/07/27/793630727.db2.gz RKGKYHVUMACDCE-UHFFFAOYSA-N 1 0 337.380 -1.651 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162868252 793631691 /nfs/dbraw/zinc/63/16/91/793631691.db2.gz WZYKUODJZDRHKT-UHFFFAOYSA-N 1 0 338.368 -1.665 20 0 EAADRO O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871975 793631698 /nfs/dbraw/zinc/63/16/98/793631698.db2.gz CFQJUORTHVUMCH-LOIXOFCESA-N 1 0 336.396 -1.031 20 0 EAADRO O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871976 793631379 /nfs/dbraw/zinc/63/13/79/793631379.db2.gz CFQJUORTHVUMCH-VTWZXRTESA-N 1 0 336.396 -1.031 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1)S(C)(=O)=O ZINC001162872087 793630837 /nfs/dbraw/zinc/63/08/37/793630837.db2.gz GIQSMAQPAZODGR-UHFFFAOYSA-N 1 0 345.425 -1.619 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162872285 793631021 /nfs/dbraw/zinc/63/10/21/793631021.db2.gz MVCYMRCOFQKBLJ-UHFFFAOYSA-N 1 0 339.396 -1.358 20 0 EAADRO Cn1nnc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872478 793630971 /nfs/dbraw/zinc/63/09/71/793630971.db2.gz TVLDHYKDNFGQBE-AVERBVTBSA-N 1 0 335.412 -1.331 20 0 EAADRO Cn1nnc(CNCCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872479 793630866 /nfs/dbraw/zinc/63/08/66/793630866.db2.gz TVLDHYKDNFGQBE-MQYJIDSJSA-N 1 0 335.412 -1.331 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162872534 793631832 /nfs/dbraw/zinc/63/18/32/793631832.db2.gz VFGGUDQFPBMAQD-UHFFFAOYSA-N 1 0 339.396 -1.358 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)ncc1=O ZINC001162872651 793630781 /nfs/dbraw/zinc/63/07/81/793630781.db2.gz ZNJQRCANZCJBSU-LLVKDONJSA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)ncc1=O ZINC001162872652 793631771 /nfs/dbraw/zinc/63/17/71/793631771.db2.gz ZNJQRCANZCJBSU-NSHDSACASA-N 1 0 342.421 -1.076 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)ncc1=O ZINC001162878228 793631926 /nfs/dbraw/zinc/63/19/26/793631926.db2.gz DHCZSIHRPHZLNK-UHFFFAOYSA-N 1 0 335.364 -1.361 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)ncc1=O ZINC001162878253 793631518 /nfs/dbraw/zinc/63/15/18/793631518.db2.gz FBFDAPWNZUTPIE-UHFFFAOYSA-N 1 0 336.352 -1.958 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162878326 793631683 /nfs/dbraw/zinc/63/16/83/793631683.db2.gz FTPVEEINOYPTIO-SECBINFHSA-N 1 0 338.368 -1.666 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162878328 793631944 /nfs/dbraw/zinc/63/19/44/793631944.db2.gz FTPVEEINOYPTIO-VIFPVBQESA-N 1 0 338.368 -1.666 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)ncc1=O ZINC001162878424 793631062 /nfs/dbraw/zinc/63/10/62/793631062.db2.gz IFLKAIJMRMINKH-GFCCVEGCSA-N 1 0 334.380 -1.253 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)ncc1=O ZINC001162878426 793631584 /nfs/dbraw/zinc/63/15/84/793631584.db2.gz IFLKAIJMRMINKH-LBPRGKRZSA-N 1 0 334.380 -1.253 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]CCCS(C)(=O)=O)ncc1=O ZINC001162878613 793631677 /nfs/dbraw/zinc/63/16/77/793631677.db2.gz KJOFKKVZDQPXKV-UHFFFAOYSA-N 1 0 330.410 -1.076 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)ncc1=O ZINC001162878682 793631370 /nfs/dbraw/zinc/63/13/70/793631370.db2.gz NZUWSUACZGIFKN-UHFFFAOYSA-N 1 0 331.398 -1.961 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162878954 793631921 /nfs/dbraw/zinc/63/19/21/793631921.db2.gz UBSXDXRBKHWPLN-UHFFFAOYSA-N 1 0 345.425 -1.571 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162879041 793631127 /nfs/dbraw/zinc/63/11/27/793631127.db2.gz XLVQPUQACFZAME-GFCCVEGCSA-N 1 0 342.396 -1.486 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162879042 793631651 /nfs/dbraw/zinc/63/16/51/793631651.db2.gz XLVQPUQACFZAME-LBPRGKRZSA-N 1 0 342.396 -1.486 20 0 EAADRO Cn1nnc(C(=O)N(CC[NH2+]CC(N)=O)CCc2ccccc2)n1 ZINC001162888620 793631929 /nfs/dbraw/zinc/63/19/29/793631929.db2.gz XAERVGMERVQTJQ-UHFFFAOYSA-N 1 0 331.380 -1.030 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)C(N)=O ZINC001162906005 793631823 /nfs/dbraw/zinc/63/18/23/793631823.db2.gz CTTYBPRTMKYTLH-UHFFFAOYSA-N 1 0 349.391 -1.412 20 0 EAADRO NC(=O)C(=O)N(CC[NH2+][C@@H]1CCC(=O)NC1=O)CCc1ccccc1 ZINC001162907159 793630839 /nfs/dbraw/zinc/63/08/39/793630839.db2.gz ZGMFEQHXTAWYFH-CYBMUJFWSA-N 1 0 346.387 -1.062 20 0 EAADRO NC(=O)C(=O)N(CC[NH2+][C@H]1CCC(=O)NC1=O)CCc1ccccc1 ZINC001162907160 793631593 /nfs/dbraw/zinc/63/15/93/793631593.db2.gz ZGMFEQHXTAWYFH-ZDUSSCGKSA-N 1 0 346.387 -1.062 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)C(N)=O ZINC001162907171 793631911 /nfs/dbraw/zinc/63/19/11/793631911.db2.gz ZOMJPVQYSKXYKN-UHFFFAOYSA-N 1 0 335.364 -1.673 20 0 EAADRO NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CNC(=O)N1 ZINC001162911015 793630694 /nfs/dbraw/zinc/63/06/94/793630694.db2.gz BWTOEVBFGRFKTQ-CYBMUJFWSA-N 1 0 333.392 -1.186 20 0 EAADRO NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CNC(=O)N1 ZINC001162911016 793631072 /nfs/dbraw/zinc/63/10/72/793631072.db2.gz BWTOEVBFGRFKTQ-ZDUSSCGKSA-N 1 0 333.392 -1.186 20 0 EAADRO C[C@@H]([NH2+]CCN(CCc1ccccc1)C(=O)C(N)=O)C(=O)NC(N)=O ZINC001162911215 793630955 /nfs/dbraw/zinc/63/09/55/793630955.db2.gz HXHHIJTZRCLUBF-LLVKDONJSA-N 1 0 349.391 -1.284 20 0 EAADRO C[C@H]([NH2+]CCN(CCc1ccccc1)C(=O)C(N)=O)C(=O)NC(N)=O ZINC001162911216 793632004 /nfs/dbraw/zinc/63/20/04/793632004.db2.gz HXHHIJTZRCLUBF-NSHDSACASA-N 1 0 349.391 -1.284 20 0 EAADRO COC(=O)CNS(=O)(=O)c1ccc(N[C@@H]2COC[C@@H]2[NH3+])nc1 ZINC001162920433 793630923 /nfs/dbraw/zinc/63/09/23/793630923.db2.gz YNLXVDCGVBUXOG-VHSXEESVSA-N 1 0 330.366 -1.329 20 0 EAADRO CC[C@@H]1OCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001162939237 793631004 /nfs/dbraw/zinc/63/10/04/793631004.db2.gz SSBMOABFTMXCDB-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO COC(=O)[C@@H](Nc1nc(OC)nc(N2CCOCC2)n1)C(C)(C)[NH3+] ZINC001162942098 793631623 /nfs/dbraw/zinc/63/16/23/793631623.db2.gz JOGMBDJXRLCLFM-SECBINFHSA-N 1 0 340.384 -1.171 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]C[C@H](O)COCCOC)nn1 ZINC001162995685 793631315 /nfs/dbraw/zinc/63/13/15/793631315.db2.gz CLFITCKYYQLTMA-AWEZNQCLSA-N 1 0 343.428 -1.040 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]C[C@@H](O)COCCOC)nn1 ZINC001162995686 793631110 /nfs/dbraw/zinc/63/11/10/793631110.db2.gz CLFITCKYYQLTMA-CQSZACIVSA-N 1 0 343.428 -1.040 20 0 EAADRO CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001162995836 793631806 /nfs/dbraw/zinc/63/18/06/793631806.db2.gz GIGKXFSHBYFTSF-KGLIPLIRSA-N 1 0 342.440 -1.292 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]CCNS(=O)(=O)CC)nn1 ZINC001162996531 793631559 /nfs/dbraw/zinc/63/15/59/793631559.db2.gz VAGTZEOPTXZYFJ-UHFFFAOYSA-N 1 0 346.457 -1.124 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)nn1 ZINC001162996571 793631532 /nfs/dbraw/zinc/63/15/32/793631532.db2.gz VLRVVNCUHVPXNO-UHFFFAOYSA-N 1 0 332.430 -1.514 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(N)=O ZINC001162996614 793631267 /nfs/dbraw/zinc/63/12/67/793631267.db2.gz WQASFJYACAKVIB-MCIONIFRSA-N 1 0 342.440 -1.164 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(N)=O ZINC001162996615 793631328 /nfs/dbraw/zinc/63/13/28/793631328.db2.gz WQASFJYACAKVIB-MJBXVCDLSA-N 1 0 342.440 -1.164 20 0 EAADRO NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001162996762 793631955 /nfs/dbraw/zinc/63/19/55/793631955.db2.gz ZIVSYCHOBDLWIN-OLZOCXBDSA-N 1 0 328.413 -1.553 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001162996774 793631918 /nfs/dbraw/zinc/63/19/18/793631918.db2.gz ZVMCCPTXNUPVAN-UHFFFAOYSA-N 1 0 337.384 -1.512 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)nn1 ZINC001162996776 793631575 /nfs/dbraw/zinc/63/15/75/793631575.db2.gz ZYGSCZNXNPMSER-UHFFFAOYSA-N 1 0 346.457 -1.172 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC)nn1 ZINC001163000164 793630795 /nfs/dbraw/zinc/63/07/95/793630795.db2.gz LOFOCRWGOAYTOS-JTQLQIEISA-N 1 0 339.400 -1.220 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC)nn1 ZINC001163000165 793631907 /nfs/dbraw/zinc/63/19/07/793631907.db2.gz LOFOCRWGOAYTOS-SNVBAGLBSA-N 1 0 339.400 -1.220 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1cn(CC)nn1 ZINC001163000190 793631817 /nfs/dbraw/zinc/63/18/17/793631817.db2.gz MYPYCUXMESTYFY-UHFFFAOYSA-N 1 0 339.400 -1.218 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)nn1 ZINC001163000458 793631751 /nfs/dbraw/zinc/63/17/51/793631751.db2.gz QMQRQPLJLXOIAI-SECBINFHSA-N 1 0 325.373 -1.480 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)nn1 ZINC001163000459 793631669 /nfs/dbraw/zinc/63/16/69/793631669.db2.gz QMQRQPLJLXOIAI-VIFPVBQESA-N 1 0 325.373 -1.480 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)nn1 ZINC001163000499 793631949 /nfs/dbraw/zinc/63/19/49/793631949.db2.gz SHMLIYQPZFFDHA-UHFFFAOYSA-N 1 0 338.412 -1.205 20 0 EAADRO CCn1cc(CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC)nn1 ZINC001163000729 793630894 /nfs/dbraw/zinc/63/08/94/793630894.db2.gz WDQKFMNHXPAHSF-UHFFFAOYSA-N 1 0 325.373 -1.608 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001163014300 793631870 /nfs/dbraw/zinc/63/18/70/793631870.db2.gz STXZUHGIGIEMEW-UHFFFAOYSA-N 1 0 349.351 -1.176 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCCC[NH2+]Cc1nnnn1C)CC2 ZINC001163026815 793631028 /nfs/dbraw/zinc/63/10/28/793631028.db2.gz KYTXTPOULUPAEA-LLVKDONJSA-N 1 0 333.400 -1.031 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCCC[NH2+]Cc1nnnn1C)CC2 ZINC001163026818 793631719 /nfs/dbraw/zinc/63/17/19/793631719.db2.gz KYTXTPOULUPAEA-NSHDSACASA-N 1 0 333.400 -1.031 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)CC2 ZINC001163027446 793630758 /nfs/dbraw/zinc/63/07/58/793630758.db2.gz SKVOBNNFKNSYCM-LLVKDONJSA-N 1 0 348.411 -1.133 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)CC2 ZINC001163027448 793631196 /nfs/dbraw/zinc/63/11/96/793631196.db2.gz SKVOBNNFKNSYCM-NSHDSACASA-N 1 0 348.411 -1.133 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC2 ZINC001163027777 793631158 /nfs/dbraw/zinc/63/11/58/793631158.db2.gz XIKXTOSSEVAGQT-JTQLQIEISA-N 1 0 337.384 -1.560 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC2 ZINC001163027778 793630743 /nfs/dbraw/zinc/63/07/43/793630743.db2.gz XIKXTOSSEVAGQT-SNVBAGLBSA-N 1 0 337.384 -1.560 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001163031201 793633030 /nfs/dbraw/zinc/63/30/30/793633030.db2.gz DQQRUFLUZGSPAI-JBLDHEPKSA-N 1 0 328.369 -1.671 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001163031876 793633177 /nfs/dbraw/zinc/63/31/77/793633177.db2.gz LHGZJUUNCFNVLR-CIQGVGRVSA-N 1 0 339.392 -1.061 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001163031878 793632618 /nfs/dbraw/zinc/63/26/18/793632618.db2.gz LHGZJUUNCFNVLR-ZJQBRPOHSA-N 1 0 339.392 -1.061 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nc1=O ZINC001163032307 793633020 /nfs/dbraw/zinc/63/30/20/793633020.db2.gz RJFDDLPCORGYDD-GMXVVIOVSA-N 1 0 339.396 -1.244 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001163032722 793633355 /nfs/dbraw/zinc/63/33/55/793633355.db2.gz ZLBYVAQXMOHJFJ-GMXVVIOVSA-N 1 0 342.396 -1.411 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037765 793632542 /nfs/dbraw/zinc/63/25/42/793632542.db2.gz AIUNKXBTUZSYTO-JTQLQIEISA-N 1 0 348.425 -2.478 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037767 793632677 /nfs/dbraw/zinc/63/26/77/793632677.db2.gz AKQXHGKOJGSGES-BDAKNGLRSA-N 1 0 332.382 -3.116 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037768 793632778 /nfs/dbraw/zinc/63/27/78/793632778.db2.gz AKQXHGKOJGSGES-IUCAKERBSA-N 1 0 332.382 -3.116 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)on1 ZINC001163037774 793632430 /nfs/dbraw/zinc/63/24/30/793632430.db2.gz AXOFYMJAFINWSD-NSHDSACASA-N 1 0 344.393 -1.508 20 0 EAADRO O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037805 793632692 /nfs/dbraw/zinc/63/26/92/793632692.db2.gz CAVJSOZPCFBWHX-LBPRGKRZSA-N 1 0 340.405 -1.409 20 0 EAADRO O=C(NCCC[NH2+]Cc1ccns1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037806 793633210 /nfs/dbraw/zinc/63/32/10/793633210.db2.gz CBLLHKSBWKUKDK-JTQLQIEISA-N 1 0 346.434 -1.348 20 0 EAADRO O=C(NCCC[NH2+]C[C@H]1CCCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037820 793632507 /nfs/dbraw/zinc/63/25/07/793632507.db2.gz CTUNTDQNNPHVCW-NEPJUHHUSA-N 1 0 347.437 -1.435 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H]1CCCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037821 793633107 /nfs/dbraw/zinc/63/31/07/793633107.db2.gz CTUNTDQNNPHVCW-RYUDHWBXSA-N 1 0 347.437 -1.435 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(N)=O ZINC001163037829 793633198 /nfs/dbraw/zinc/63/31/98/793633198.db2.gz CXTLAXJKEWNNRM-BDAKNGLRSA-N 1 0 334.398 -2.741 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(N)=O ZINC001163037830 793633203 /nfs/dbraw/zinc/63/32/03/793633203.db2.gz CXTLAXJKEWNNRM-IUCAKERBSA-N 1 0 334.398 -2.741 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)NC1CC1 ZINC001163037834 793632842 /nfs/dbraw/zinc/63/28/42/793632842.db2.gz DGUPGDSKYKZMSD-JTQLQIEISA-N 1 0 346.409 -2.726 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[nH]1 ZINC001163037849 793633333 /nfs/dbraw/zinc/63/33/33/793633333.db2.gz DQXGQPDLXZQBGQ-VIFPVBQESA-N 1 0 344.397 -2.378 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037854 793632393 /nfs/dbraw/zinc/63/23/93/793632393.db2.gz DXTMEPYUHDBXNX-MNOVXSKESA-N 1 0 335.426 -1.844 20 0 EAADRO C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037855 793632916 /nfs/dbraw/zinc/63/29/16/793632916.db2.gz DXTMEPYUHDBXNX-QWRGUYRKSA-N 1 0 335.426 -1.844 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)n1 ZINC001163037880 793633283 /nfs/dbraw/zinc/63/32/83/793633283.db2.gz FHVUJQHPGDOXET-JTQLQIEISA-N 1 0 344.397 -2.676 20 0 EAADRO Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)n1 ZINC001163037886 793633222 /nfs/dbraw/zinc/63/32/22/793633222.db2.gz FJFOTPNBICRRRB-NSHDSACASA-N 1 0 343.409 -2.071 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cn1 ZINC001163037900 793633366 /nfs/dbraw/zinc/63/33/66/793633366.db2.gz FTNTZJUKINAVTP-NSHDSACASA-N 1 0 343.409 -2.071 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001163037911 793633249 /nfs/dbraw/zinc/63/32/49/793633249.db2.gz FYSCGYUIMULZEA-RWMBFGLXSA-N 1 0 349.453 -1.317 20 0 EAADRO Cc1nocc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037946 793633297 /nfs/dbraw/zinc/63/32/97/793633297.db2.gz GNGANFUNOPVYJU-NSHDSACASA-N 1 0 344.393 -1.508 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163037962 793633374 /nfs/dbraw/zinc/63/33/74/793633374.db2.gz GZZPQPPMOYRUNU-JTQLQIEISA-N 1 0 348.425 -2.526 20 0 EAADRO Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038011 793632906 /nfs/dbraw/zinc/63/29/06/793632906.db2.gz HUEKCWONXWEMQS-NSHDSACASA-N 1 0 343.409 -2.071 20 0 EAADRO O=C(NCCC[NH2+]CCn1cccn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038025 793633001 /nfs/dbraw/zinc/63/30/01/793633001.db2.gz IAHTUDNXBFNAMH-NSHDSACASA-N 1 0 343.409 -2.108 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038055 793633071 /nfs/dbraw/zinc/63/30/71/793633071.db2.gz IYQNXGGACYJDRS-JTQLQIEISA-N 1 0 344.397 -2.676 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCCNC1=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038058 793633315 /nfs/dbraw/zinc/63/33/15/793633315.db2.gz JAWVEUVAHYKZOU-UWVGGRQHSA-N 1 0 346.409 -2.726 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038072 793632986 /nfs/dbraw/zinc/63/29/86/793632986.db2.gz JAWVEUVAHYKZOU-ZJUUUORDSA-N 1 0 346.409 -2.726 20 0 EAADRO O=C(NCCC[NH2+]Cc1cnns1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038092 793632829 /nfs/dbraw/zinc/63/28/29/793632829.db2.gz JFILQFJJWFYUTL-VIFPVBQESA-N 1 0 347.422 -1.953 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038099 793632899 /nfs/dbraw/zinc/63/28/99/793632899.db2.gz JRZDHLJMUJILFN-JTQLQIEISA-N 1 0 337.398 -2.996 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038132 793632873 /nfs/dbraw/zinc/63/28/73/793632873.db2.gz KMUNKNPGHROQOE-BDAKNGLRSA-N 1 0 334.398 -2.870 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038135 793632851 /nfs/dbraw/zinc/63/28/51/793632851.db2.gz KMUNKNPGHROQOE-IUCAKERBSA-N 1 0 334.398 -2.870 20 0 EAADRO O=C(NCCC[NH2+]Cc1nccs1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038153 793633045 /nfs/dbraw/zinc/63/30/45/793633045.db2.gz LDLRHWVLTCLJIM-VIFPVBQESA-N 1 0 346.434 -1.348 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038159 793633266 /nfs/dbraw/zinc/63/32/66/793633266.db2.gz LKXFSSMKAJXACP-VIFPVBQESA-N 1 0 344.397 -2.676 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038193 793633037 /nfs/dbraw/zinc/63/30/37/793633037.db2.gz MBYYGOJEBXSTPJ-VIFPVBQESA-N 1 0 344.397 -2.676 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)nn1 ZINC001163038202 793633167 /nfs/dbraw/zinc/63/31/67/793633167.db2.gz MNDPPVWASFOMKZ-JTQLQIEISA-N 1 0 344.397 -2.676 20 0 EAADRO O=C(NCCC[NH2+]C[C@H]1CCCOC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038214 793633216 /nfs/dbraw/zinc/63/32/16/793633216.db2.gz MYXUHEGQYOFYSR-NEPJUHHUSA-N 1 0 347.437 -1.578 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H]1CCCOC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038216 793633259 /nfs/dbraw/zinc/63/32/59/793633259.db2.gz MYXUHEGQYOFYSR-RYUDHWBXSA-N 1 0 347.437 -1.578 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038222 793632782 /nfs/dbraw/zinc/63/27/82/793632782.db2.gz NMSYYRLWVWMMQC-JTQLQIEISA-N 1 0 348.425 -2.480 20 0 EAADRO Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038228 793632808 /nfs/dbraw/zinc/63/28/08/793632808.db2.gz NPAXAPNLIKUYOB-JTQLQIEISA-N 1 0 343.409 -2.071 20 0 EAADRO O=C(NCCC[NH2+]Cc1ccccn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038403 793632460 /nfs/dbraw/zinc/63/24/60/793632460.db2.gz ONMLMNZDSPZAIO-LBPRGKRZSA-N 1 0 340.405 -1.409 20 0 EAADRO O=C(NCCC[NH2+]CC[C@H]1CCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038410 793633088 /nfs/dbraw/zinc/63/30/88/793633088.db2.gz PEHHOMNKTWBEBO-NEPJUHHUSA-N 1 0 347.437 -1.435 20 0 EAADRO O=C(NCCC[NH2+]CC[C@@H]1CCCO1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038411 793632667 /nfs/dbraw/zinc/63/26/67/793632667.db2.gz PEHHOMNKTWBEBO-RYUDHWBXSA-N 1 0 347.437 -1.435 20 0 EAADRO Cc1conc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038412 793633234 /nfs/dbraw/zinc/63/32/34/793633234.db2.gz PJWWLUMYUUZSCF-NSHDSACASA-N 1 0 344.393 -1.508 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)N(C)C ZINC001163038436 793633308 /nfs/dbraw/zinc/63/33/08/793633308.db2.gz QKQHCXVRKWBIQO-UWVGGRQHSA-N 1 0 348.425 -2.528 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)N(C)C ZINC001163038437 793633016 /nfs/dbraw/zinc/63/30/16/793633016.db2.gz QKQHCXVRKWBIQO-ZJUUUORDSA-N 1 0 348.425 -2.528 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038455 793633145 /nfs/dbraw/zinc/63/31/45/793633145.db2.gz QOEHQZWSKPPYQZ-VIFPVBQESA-N 1 0 334.398 -2.916 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)no1 ZINC001163038504 793632763 /nfs/dbraw/zinc/63/27/63/793632763.db2.gz REZYADVRWGZOCI-NSHDSACASA-N 1 0 344.393 -1.508 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038533 793633012 /nfs/dbraw/zinc/63/30/12/793633012.db2.gz RZZWHKDQHGEFMB-VIFPVBQESA-N 1 0 334.398 -2.868 20 0 EAADRO Cc1ncc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)o1 ZINC001163038672 793632568 /nfs/dbraw/zinc/63/25/68/793632568.db2.gz SJJOEIZLHPXCSO-NSHDSACASA-N 1 0 344.393 -1.508 20 0 EAADRO Cc1ncoc1C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038700 793632794 /nfs/dbraw/zinc/63/27/94/793632794.db2.gz SXYCTJPNJZVBER-JTQLQIEISA-N 1 0 344.393 -1.508 20 0 EAADRO O=C(NCCC[NH2+]CCC(F)(F)F)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038713 793632450 /nfs/dbraw/zinc/63/24/50/793632450.db2.gz TWWLALGMOVKLKO-QMMMGPOBSA-N 1 0 345.343 -1.052 20 0 EAADRO CC[C@H](C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)OC ZINC001163038714 793633191 /nfs/dbraw/zinc/63/31/91/793633191.db2.gz TYEAAZWMIZROCR-MNOVXSKESA-N 1 0 335.426 -1.580 20 0 EAADRO CC[C@@H](C[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)OC ZINC001163038715 793632824 /nfs/dbraw/zinc/63/28/24/793632824.db2.gz TYEAAZWMIZROCR-QWRGUYRKSA-N 1 0 335.426 -1.580 20 0 EAADRO Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)co1 ZINC001163038721 793633150 /nfs/dbraw/zinc/63/31/50/793633150.db2.gz UHDBSNGQTBNGRE-NSHDSACASA-N 1 0 344.393 -1.508 20 0 EAADRO O=C(NCCC[NH2+]Cc1ccon1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038739 793633136 /nfs/dbraw/zinc/63/31/36/793633136.db2.gz VJVUNWBZORATLS-JTQLQIEISA-N 1 0 330.366 -1.816 20 0 EAADRO O=C(NCCC[NH2+]Cc1cncs1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038744 793633114 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NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001163065792 793634341 /nfs/dbraw/zinc/63/43/41/793634341.db2.gz RQFYKBXQMBYQOO-VIFPVBQESA-N 1 0 337.340 -2.344 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)n1 ZINC001163065820 793634135 /nfs/dbraw/zinc/63/41/35/793634135.db2.gz SWPSQPJSEFNCJG-LBPRGKRZSA-N 1 0 332.368 -1.210 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001163066232 793634132 /nfs/dbraw/zinc/63/41/32/793634132.db2.gz XADJLUKRUMZFJI-LBPRGKRZSA-N 1 0 336.396 -1.060 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001163066430 793633953 /nfs/dbraw/zinc/63/39/53/793633953.db2.gz YDTHKVKKPXYVIH-JTQLQIEISA-N 1 0 333.356 -1.815 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001163066528 793634638 /nfs/dbraw/zinc/63/46/38/793634638.db2.gz ZVQBQJLPHRMGJA-LBPRGKRZSA-N 1 0 332.368 -1.210 20 0 EAADRO COc1nc(N[C@@H]2COCCC23C[NH2+]C3)nc(N2CCOCC2)n1 ZINC001163070492 793634411 /nfs/dbraw/zinc/63/44/11/793634411.db2.gz 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ZINC001163191366 793635863 /nfs/dbraw/zinc/63/58/63/793635863.db2.gz WBDOKUCHQWPORQ-VIFPVBQESA-N 1 0 327.385 -1.418 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001163194235 793636214 /nfs/dbraw/zinc/63/62/14/793636214.db2.gz BSCKCAHUNJXULJ-UHFFFAOYSA-N 1 0 338.412 -1.311 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1=O ZINC001163194287 793635991 /nfs/dbraw/zinc/63/59/91/793635991.db2.gz DAPJRGQLJHHSPK-UHFFFAOYSA-N 1 0 327.345 -2.737 20 0 EAADRO O=C(COCC(F)F)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001163194309 793635795 /nfs/dbraw/zinc/63/57/95/793635795.db2.gz DLAYZZJTUCUHPH-UHFFFAOYSA-N 1 0 336.339 -1.678 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)CCn2ncn(C)c2=O)C1=O ZINC001163194525 793635518 /nfs/dbraw/zinc/63/55/18/793635518.db2.gz GQFJUTCXJLICHZ-GFCCVEGCSA-N 1 0 338.412 -1.311 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)CCn2ncn(C)c2=O)C1=O ZINC001163194527 793636058 /nfs/dbraw/zinc/63/60/58/793636058.db2.gz GQFJUTCXJLICHZ-LBPRGKRZSA-N 1 0 338.412 -1.311 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)CCn2ncn(C)c2=O)nn1 ZINC001163194608 793635409 /nfs/dbraw/zinc/63/54/09/793635409.db2.gz IOXQUZRCXQQDFZ-UHFFFAOYSA-N 1 0 336.400 -1.121 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCn1ncn(C)c1=O)C(=O)NC1CC1 ZINC001163194612 793636153 /nfs/dbraw/zinc/63/61/53/793636153.db2.gz IQYZWGIMIHOBPM-LLVKDONJSA-N 1 0 338.412 -1.265 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCn1ncn(C)c1=O)C(=O)NC1CC1 ZINC001163194613 793636176 /nfs/dbraw/zinc/63/61/76/793636176.db2.gz IQYZWGIMIHOBPM-NSHDSACASA-N 1 0 338.412 -1.265 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CCCS(C)(=O)=O)c1=O ZINC001163194619 793635551 /nfs/dbraw/zinc/63/55/51/793635551.db2.gz IULTXAZYJQZYRG-UHFFFAOYSA-N 1 0 347.441 -1.498 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O)c1=O ZINC001163194627 793636097 /nfs/dbraw/zinc/63/60/97/793636097.db2.gz JCQHLTNXMWGYFX-UHFFFAOYSA-N 1 0 348.429 -2.383 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CCN2CCCC2=O)c1=O ZINC001163194636 793635877 /nfs/dbraw/zinc/63/58/77/793635877.db2.gz JJWSPZJGOXHEHR-UHFFFAOYSA-N 1 0 338.412 -1.310 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCn1ncn(C)c1=O)C(=O)N(C)C ZINC001163195086 793636281 /nfs/dbraw/zinc/63/62/81/793636281.db2.gz PATNOPHKBXLJJC-LLVKDONJSA-N 1 0 326.401 -1.456 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCn1ncn(C)c1=O)C(=O)N(C)C ZINC001163195088 793635250 /nfs/dbraw/zinc/63/52/50/793635250.db2.gz PATNOPHKBXLJJC-NSHDSACASA-N 1 0 326.401 -1.456 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CC(=O)N2CCCC2)c1=O ZINC001163195110 793636231 /nfs/dbraw/zinc/63/62/31/793636231.db2.gz PHJOAMCLDHHSPY-UHFFFAOYSA-N 1 0 338.412 -1.310 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163195159 793635541 /nfs/dbraw/zinc/63/55/41/793635541.db2.gz RDFVYUOCBBOVJO-GFCCVEGCSA-N 1 0 340.428 -1.018 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163195161 793635435 /nfs/dbraw/zinc/63/54/35/793635435.db2.gz RDFVYUOCBBOVJO-LBPRGKRZSA-N 1 0 340.428 -1.018 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]C[C@H]2CCc3ncnn32)c1=O ZINC001163195215 793636201 /nfs/dbraw/zinc/63/62/01/793636201.db2.gz SUKFLXIEGDBVJZ-GFCCVEGCSA-N 1 0 348.411 -1.153 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]C[C@@H]2CCc3ncnn32)c1=O ZINC001163195221 793636160 /nfs/dbraw/zinc/63/61/60/793636160.db2.gz SUKFLXIEGDBVJZ-LBPRGKRZSA-N 1 0 348.411 -1.153 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163195244 793635692 /nfs/dbraw/zinc/63/56/92/793635692.db2.gz UAUFOWDCLSLSRN-UHFFFAOYSA-N 1 0 340.428 -1.160 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCn1ncn(C)c1=O)C(=O)NC(N)=O ZINC001163195348 793635852 /nfs/dbraw/zinc/63/58/52/793635852.db2.gz WTDRUGCTBUZNLT-SECBINFHSA-N 1 0 341.372 -2.349 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCn1ncn(C)c1=O)C(=O)NC(N)=O ZINC001163195351 793636220 /nfs/dbraw/zinc/63/62/20/793636220.db2.gz WTDRUGCTBUZNLT-VIFPVBQESA-N 1 0 341.372 -2.349 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CCNC(=O)C2CC2)c1=O ZINC001163195370 793635630 /nfs/dbraw/zinc/63/56/30/793635630.db2.gz XAUDFTMMOFGSQE-UHFFFAOYSA-N 1 0 338.412 -1.406 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163195374 793635976 /nfs/dbraw/zinc/63/59/76/793635976.db2.gz XEFDSFFANBGPOL-UHFFFAOYSA-N 1 0 326.401 -1.406 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163203447 793635352 /nfs/dbraw/zinc/63/53/52/793635352.db2.gz BSUBOFAYDPVYJZ-UHFFFAOYSA-N 1 0 326.401 -1.454 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CC(=O)NCC2CC2)c1=O ZINC001163203531 793636138 /nfs/dbraw/zinc/63/61/38/793636138.db2.gz DGCUZFZDOPKLPO-UHFFFAOYSA-N 1 0 338.412 -1.406 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)c1=O ZINC001163203776 793636072 /nfs/dbraw/zinc/63/60/72/793636072.db2.gz GBCHBEALUWJRBG-UHFFFAOYSA-N 1 0 340.428 -1.018 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1=O ZINC001163203859 793636188 /nfs/dbraw/zinc/63/61/88/793636188.db2.gz HVUHMUFKJCJVTB-UHFFFAOYSA-N 1 0 338.372 -2.310 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]Cc2ccn(C)c(=O)c2)c1=O ZINC001163204076 793636264 /nfs/dbraw/zinc/63/62/64/793636264.db2.gz NUQVPSAEOLZGKE-UHFFFAOYSA-N 1 0 348.407 -1.033 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163207809 793637352 /nfs/dbraw/zinc/63/73/52/793637352.db2.gz ADQXJVNQFDLAEC-UHFFFAOYSA-N 1 0 340.428 -1.064 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)COCC(F)F)n(C)c1=O ZINC001163207825 793636764 /nfs/dbraw/zinc/63/67/64/793636764.db2.gz AWKRVHJQVNOYPK-UHFFFAOYSA-N 1 0 348.350 -1.038 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CCn2ncn(C)c2=O)n1 ZINC001163207902 793637370 /nfs/dbraw/zinc/63/73/70/793637370.db2.gz CVRNAFZZGOYUET-UHFFFAOYSA-N 1 0 336.400 -1.121 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208061 793637162 /nfs/dbraw/zinc/63/71/62/793637162.db2.gz FVZWSMBPQOCQRG-UHFFFAOYSA-N 1 0 336.400 -1.121 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208144 793637015 /nfs/dbraw/zinc/63/70/15/793637015.db2.gz IBWNUFXFHMAWGF-GFCCVEGCSA-N 1 0 340.428 -1.018 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208145 793637024 /nfs/dbraw/zinc/63/70/24/793637024.db2.gz IBWNUFXFHMAWGF-LBPRGKRZSA-N 1 0 340.428 -1.018 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208178 793636807 /nfs/dbraw/zinc/63/68/07/793636807.db2.gz IXHDYTRQQIXPDY-UHFFFAOYSA-N 1 0 336.400 -1.121 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208418 793636876 /nfs/dbraw/zinc/63/68/76/793636876.db2.gz LHUIFVYUXQWJIE-UHFFFAOYSA-N 1 0 326.401 -1.408 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]CCS(C)(=O)=O)c1=O ZINC001163208455 793636697 /nfs/dbraw/zinc/63/66/97/793636697.db2.gz MYSBCRLOKUIUMM-UHFFFAOYSA-N 1 0 333.414 -1.888 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208465 793637446 /nfs/dbraw/zinc/63/74/46/793637446.db2.gz NSPIKUOGHLHULN-UHFFFAOYSA-N 1 0 340.428 -1.065 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208603 793637500 /nfs/dbraw/zinc/63/75/00/793637500.db2.gz QOVRBJPNXMOBPG-UHFFFAOYSA-N 1 0 341.372 -2.477 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163208717 793637466 /nfs/dbraw/zinc/63/74/66/793637466.db2.gz VUFQIVODQVRMSC-UHFFFAOYSA-N 1 0 340.428 -1.016 20 0 EAADRO Cn1cnn(CCC(=O)NCCC[NH2+]Cc2nnnn2C2CC2)c1=O ZINC001163208748 793636582 /nfs/dbraw/zinc/63/65/82/793636582.db2.gz XCADGJRWYDAEGB-UHFFFAOYSA-N 1 0 349.399 -1.411 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]Cc1nnnn1C)S(N)(=O)=O ZINC001163212013 793637394 /nfs/dbraw/zinc/63/73/94/793637394.db2.gz AERICQWRUSXKKW-SECBINFHSA-N 1 0 333.418 -1.737 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]Cc1nnnn1C)S(N)(=O)=O ZINC001163212017 793637457 /nfs/dbraw/zinc/63/74/57/793637457.db2.gz AERICQWRUSXKKW-VIFPVBQESA-N 1 0 333.418 -1.737 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)S(N)(=O)=O ZINC001163212359 793636797 /nfs/dbraw/zinc/63/67/97/793636797.db2.gz DQFRTPOWQUAUIK-GHMZBOCLSA-N 1 0 334.442 -1.182 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)S(N)(=O)=O ZINC001163212360 793636731 /nfs/dbraw/zinc/63/67/31/793636731.db2.gz DQFRTPOWQUAUIK-MNOVXSKESA-N 1 0 334.442 -1.182 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)S(N)(=O)=O ZINC001163212361 793637275 /nfs/dbraw/zinc/63/72/75/793637275.db2.gz DQFRTPOWQUAUIK-QWRGUYRKSA-N 1 0 334.442 -1.182 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)S(N)(=O)=O ZINC001163212362 793636637 /nfs/dbraw/zinc/63/66/37/793636637.db2.gz DQFRTPOWQUAUIK-WDEREUQCSA-N 1 0 334.442 -1.182 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]Cc1nncn1C)S(N)(=O)=O ZINC001163212451 793636781 /nfs/dbraw/zinc/63/67/81/793636781.db2.gz DZFMTRUZDREVPF-JTQLQIEISA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]Cc1nncn1C)S(N)(=O)=O ZINC001163212469 793636967 /nfs/dbraw/zinc/63/69/67/793636967.db2.gz DZFMTRUZDREVPF-SNVBAGLBSA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)S(N)(=O)=O ZINC001163212714 793636800 /nfs/dbraw/zinc/63/68/00/793636800.db2.gz GLSZIIUDWRQRQQ-GHMZBOCLSA-N 1 0 325.431 -1.453 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)S(N)(=O)=O ZINC001163212715 793637385 /nfs/dbraw/zinc/63/73/85/793637385.db2.gz GLSZIIUDWRQRQQ-MNOVXSKESA-N 1 0 325.431 -1.453 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC)S(N)(=O)=O ZINC001163212716 793637216 /nfs/dbraw/zinc/63/72/16/793637216.db2.gz GLSZIIUDWRQRQQ-QWRGUYRKSA-N 1 0 325.431 -1.453 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC)S(N)(=O)=O ZINC001163212717 793636947 /nfs/dbraw/zinc/63/69/47/793636947.db2.gz GLSZIIUDWRQRQQ-WDEREUQCSA-N 1 0 325.431 -1.453 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)S(N)(=O)=O ZINC001163212863 793636898 /nfs/dbraw/zinc/63/68/98/793636898.db2.gz IPSMVEWBYHNUSG-JTQLQIEISA-N 1 0 343.471 -1.416 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)S(N)(=O)=O ZINC001163212864 793637531 /nfs/dbraw/zinc/63/75/31/793637531.db2.gz IPSMVEWBYHNUSG-SNVBAGLBSA-N 1 0 343.471 -1.416 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)S(N)(=O)=O ZINC001163212870 793637176 /nfs/dbraw/zinc/63/71/76/793637176.db2.gz IVNCULAJKKOSSA-SECBINFHSA-N 1 0 348.429 -1.839 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)S(N)(=O)=O ZINC001163212873 793637280 /nfs/dbraw/zinc/63/72/80/793637280.db2.gz IVNCULAJKKOSSA-VIFPVBQESA-N 1 0 348.429 -1.839 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]Cc1cn(C)nn1)S(N)(=O)=O ZINC001163212877 793637206 /nfs/dbraw/zinc/63/72/06/793637206.db2.gz IWLYMSUBVMBBTI-LLVKDONJSA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]Cc1cn(C)nn1)S(N)(=O)=O ZINC001163212879 793636750 /nfs/dbraw/zinc/63/67/50/793636750.db2.gz IWLYMSUBVMBBTI-NSHDSACASA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001163212940 793636960 /nfs/dbraw/zinc/63/69/60/793636960.db2.gz JLTOCJISIUIPJI-NXEZZACHSA-N 1 0 348.425 -1.655 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001163212951 793636743 /nfs/dbraw/zinc/63/67/43/793636743.db2.gz JLTOCJISIUIPJI-UWVGGRQHSA-N 1 0 348.425 -1.655 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001163212954 793637008 /nfs/dbraw/zinc/63/70/08/793637008.db2.gz JLTOCJISIUIPJI-VHSXEESVSA-N 1 0 348.425 -1.655 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)S(N)(=O)=O ZINC001163212956 793636541 /nfs/dbraw/zinc/63/65/41/793636541.db2.gz JLTOCJISIUIPJI-ZJUUUORDSA-N 1 0 348.425 -1.655 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c1nnnn1C)S(N)(=O)=O ZINC001163213170 793636650 /nfs/dbraw/zinc/63/66/50/793636650.db2.gz NOMHNUSJNSKAOP-NXEZZACHSA-N 1 0 347.445 -1.176 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C)S(N)(=O)=O ZINC001163213171 793637303 /nfs/dbraw/zinc/63/73/03/793637303.db2.gz NOMHNUSJNSKAOP-UWVGGRQHSA-N 1 0 347.445 -1.176 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C)S(N)(=O)=O ZINC001163213172 793637292 /nfs/dbraw/zinc/63/72/92/793637292.db2.gz NOMHNUSJNSKAOP-VHSXEESVSA-N 1 0 347.445 -1.176 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1nnnn1C)S(N)(=O)=O ZINC001163213173 793637440 /nfs/dbraw/zinc/63/74/40/793637440.db2.gz NOMHNUSJNSKAOP-ZJUUUORDSA-N 1 0 347.445 -1.176 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)S(N)(=O)=O ZINC001163213370 793637086 /nfs/dbraw/zinc/63/70/86/793637086.db2.gz OJUZKQBNEKVSBX-LLVKDONJSA-N 1 0 349.457 -1.435 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)S(N)(=O)=O ZINC001163213372 793636889 /nfs/dbraw/zinc/63/68/89/793636889.db2.gz OJUZKQBNEKVSBX-NSHDSACASA-N 1 0 349.457 -1.435 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)S(N)(=O)=O ZINC001163213457 793636737 /nfs/dbraw/zinc/63/67/37/793636737.db2.gz QMNOBNWPYVDFOD-LLVKDONJSA-N 1 0 334.442 -1.182 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)S(N)(=O)=O ZINC001163213458 793636616 /nfs/dbraw/zinc/63/66/16/793636616.db2.gz QMNOBNWPYVDFOD-NSHDSACASA-N 1 0 334.442 -1.182 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]CCOCCO)S(N)(=O)=O ZINC001163213616 793637094 /nfs/dbraw/zinc/63/70/94/793637094.db2.gz SGQFYXFACKHBKM-LLVKDONJSA-N 1 0 325.431 -1.452 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]CCOCCO)S(N)(=O)=O ZINC001163213617 793637314 /nfs/dbraw/zinc/63/73/14/793637314.db2.gz SGQFYXFACKHBKM-NSHDSACASA-N 1 0 325.431 -1.452 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]Cc1cnnn1C)S(N)(=O)=O ZINC001163213623 793637411 /nfs/dbraw/zinc/63/74/11/793637411.db2.gz SKVNHIKOGZDCMG-LLVKDONJSA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]Cc1cnnn1C)S(N)(=O)=O ZINC001163213624 793637154 /nfs/dbraw/zinc/63/71/54/793637154.db2.gz SKVNHIKOGZDCMG-NSHDSACASA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)S(N)(=O)=O ZINC001163213725 793636906 /nfs/dbraw/zinc/63/69/06/793636906.db2.gz URJSEYARKJKEGP-MRVPVSSYSA-N 1 0 337.402 -2.266 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)S(N)(=O)=O ZINC001163213728 793637146 /nfs/dbraw/zinc/63/71/46/793637146.db2.gz URJSEYARKJKEGP-QMMMGPOBSA-N 1 0 337.402 -2.266 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)S(N)(=O)=O ZINC001163213850 793637130 /nfs/dbraw/zinc/63/71/30/793637130.db2.gz VWHOUDVBCQCKFW-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)S(N)(=O)=O ZINC001163213853 793636981 /nfs/dbraw/zinc/63/69/81/793636981.db2.gz VWHOUDVBCQCKFW-MNOVXSKESA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)S(N)(=O)=O ZINC001163213854 793636788 /nfs/dbraw/zinc/63/67/88/793636788.db2.gz VWHOUDVBCQCKFW-QWRGUYRKSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)S(N)(=O)=O ZINC001163213856 793637528 /nfs/dbraw/zinc/63/75/28/793637528.db2.gz VWHOUDVBCQCKFW-WDEREUQCSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]CCn1cncn1)S(N)(=O)=O ZINC001163213876 793637055 /nfs/dbraw/zinc/63/70/55/793637055.db2.gz WOHZJXQXRXDVRR-LLVKDONJSA-N 1 0 332.430 -1.169 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]CCn1cncn1)S(N)(=O)=O ZINC001163213878 793636952 /nfs/dbraw/zinc/63/69/52/793636952.db2.gz WOHZJXQXRXDVRR-NSHDSACASA-N 1 0 332.430 -1.169 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCCc1c[nH]nn1 ZINC001163213907 793637070 /nfs/dbraw/zinc/63/70/70/793637070.db2.gz XCLXVHVMSMVZBQ-UHFFFAOYSA-N 1 0 325.373 -1.192 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)S(N)(=O)=O ZINC001163213918 793636631 /nfs/dbraw/zinc/63/66/31/793636631.db2.gz XIWSFMQVWDIVBN-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)S(N)(=O)=O ZINC001163213920 793637508 /nfs/dbraw/zinc/63/75/08/793637508.db2.gz XIWSFMQVWDIVBN-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]Cc1cnn(C)n1)S(N)(=O)=O ZINC001163214246 793637423 /nfs/dbraw/zinc/63/74/23/793637423.db2.gz ZOMGLDPKYCVEOV-LLVKDONJSA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]Cc1cnn(C)n1)S(N)(=O)=O ZINC001163214247 793637117 /nfs/dbraw/zinc/63/71/17/793637117.db2.gz ZOMGLDPKYCVEOV-NSHDSACASA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@@H](C(=O)NCCC[NH2+]Cc1ncnn1C)S(N)(=O)=O ZINC001163214269 793637226 /nfs/dbraw/zinc/63/72/26/793637226.db2.gz ZWCDKZOMMOSHMV-JTQLQIEISA-N 1 0 332.430 -1.132 20 0 EAADRO CCC[C@H](C(=O)NCCC[NH2+]Cc1ncnn1C)S(N)(=O)=O ZINC001163214270 793637241 /nfs/dbraw/zinc/63/72/41/793637241.db2.gz ZWCDKZOMMOSHMV-SNVBAGLBSA-N 1 0 332.430 -1.132 20 0 EAADRO NC(=O)c1cc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)co1 ZINC001163217304 793636837 /nfs/dbraw/zinc/63/68/37/793636837.db2.gz BVCDNSNCOAAXLY-UHFFFAOYSA-N 1 0 338.364 -1.053 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1coc(C(N)=O)c1 ZINC001163217542 793637061 /nfs/dbraw/zinc/63/70/61/793637061.db2.gz KGBXOPVBMUASRQ-UHFFFAOYSA-N 1 0 325.325 -1.456 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)c1coc(C(N)=O)c1)S(C)(=O)=O ZINC001163217682 793637513 /nfs/dbraw/zinc/63/75/13/793637513.db2.gz ORYTVSHIGVCKTJ-UHFFFAOYSA-N 1 0 346.409 -1.021 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1coc(C(N)=O)c1 ZINC001163218093 793636448 /nfs/dbraw/zinc/63/64/48/793636448.db2.gz WBINISDNMGZZPH-UHFFFAOYSA-N 1 0 339.352 -1.066 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1coc(C(N)=O)c1 ZINC001163222963 793636668 /nfs/dbraw/zinc/63/66/68/793636668.db2.gz CUKYWBRLIXCFIT-MRVPVSSYSA-N 1 0 339.352 -1.068 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1coc(C(N)=O)c1 ZINC001163222966 793636987 /nfs/dbraw/zinc/63/69/87/793636987.db2.gz CUKYWBRLIXCFIT-QMMMGPOBSA-N 1 0 339.352 -1.068 20 0 EAADRO NC(=O)c1cc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)co1 ZINC001163223662 793636483 /nfs/dbraw/zinc/63/64/83/793636483.db2.gz MKTMIAGWSGJHOZ-UHFFFAOYSA-N 1 0 337.336 -1.360 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1coc(C(N)=O)c1)C(=O)NC(N)=O ZINC001163223705 793637103 /nfs/dbraw/zinc/63/71/03/793637103.db2.gz OAJNTGGTNIBHCQ-SSDOTTSWSA-N 1 0 325.325 -1.329 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1coc(C(N)=O)c1)C(=O)NC(N)=O ZINC001163223706 793636719 /nfs/dbraw/zinc/63/67/19/793636719.db2.gz OAJNTGGTNIBHCQ-ZETCQYMHSA-N 1 0 325.325 -1.329 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1coc(C(N)=O)c1 ZINC001163224122 793637110 /nfs/dbraw/zinc/63/71/10/793637110.db2.gz SLBXMASDNRNXTR-UHFFFAOYSA-N 1 0 332.382 -1.363 20 0 EAADRO COc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc(N2CCOCC2)n1 ZINC001163234580 793636994 /nfs/dbraw/zinc/63/69/94/793636994.db2.gz AFZSBHHTMDSQRB-LKFCYVNXSA-N 1 0 335.368 -1.293 20 0 EAADRO COc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc(N2CCOCC2)n1 ZINC001163234583 793637261 /nfs/dbraw/zinc/63/72/61/793637261.db2.gz AFZSBHHTMDSQRB-OTYXRUKQSA-N 1 0 335.368 -1.293 20 0 EAADRO COc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc(N2CCOCC2)n1 ZINC001163234585 793637338 /nfs/dbraw/zinc/63/73/38/793637338.db2.gz AFZSBHHTMDSQRB-XPTSAGLGSA-N 1 0 335.368 -1.293 20 0 EAADRO COc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc(N2CCOCC2)n1 ZINC001163234587 793636859 /nfs/dbraw/zinc/63/68/59/793636859.db2.gz AFZSBHHTMDSQRB-YMTOWFKASA-N 1 0 335.368 -1.293 20 0 EAADRO COC(=O)C(C(=O)OC)c1cncc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001163239172 793637490 /nfs/dbraw/zinc/63/74/90/793637490.db2.gz RJVDSNMZUIGGGT-BJOHPYRUSA-N 1 0 349.347 -1.104 20 0 EAADRO COC(=O)C(C(=O)OC)c1cncc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001163239173 793637484 /nfs/dbraw/zinc/63/74/84/793637484.db2.gz RJVDSNMZUIGGGT-PSLIRLAXSA-N 1 0 349.347 -1.104 20 0 EAADRO COC(=O)C(C(=O)OC)c1cncc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001163239174 793636679 /nfs/dbraw/zinc/63/66/79/793636679.db2.gz RJVDSNMZUIGGGT-RFAUZJTJSA-N 1 0 349.347 -1.104 20 0 EAADRO COC(=O)C(C(=O)OC)c1cncc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001163239175 793637322 /nfs/dbraw/zinc/63/73/22/793637322.db2.gz RJVDSNMZUIGGGT-VFZGTOFNSA-N 1 0 349.347 -1.104 20 0 EAADRO O=C(c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc1)N1CCNC(=O)C1 ZINC001163239770 793637221 /nfs/dbraw/zinc/63/72/21/793637221.db2.gz HOZSQSUBKLEBDB-BDJLRTHQSA-N 1 0 344.375 -1.356 20 0 EAADRO O=C(c1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc1)N1CCNC(=O)C1 ZINC001163239771 793637326 /nfs/dbraw/zinc/63/73/26/793637326.db2.gz HOZSQSUBKLEBDB-BZNIZROVSA-N 1 0 344.375 -1.356 20 0 EAADRO O=C(c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc1)N1CCNC(=O)C1 ZINC001163239772 793637200 /nfs/dbraw/zinc/63/72/00/793637200.db2.gz HOZSQSUBKLEBDB-MEDUHNTESA-N 1 0 344.375 -1.356 20 0 EAADRO O=C(c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc1)N1CCNC(=O)C1 ZINC001163239773 793636914 /nfs/dbraw/zinc/63/69/14/793636914.db2.gz HOZSQSUBKLEBDB-ZBEGNZNMSA-N 1 0 344.375 -1.356 20 0 EAADRO CN1CCN(c2cc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)ncn2)CC1=O ZINC001163242866 793637186 /nfs/dbraw/zinc/63/71/86/793637186.db2.gz RAAGFQUOASVDDJ-BMIGLBTASA-N 1 0 331.380 -1.255 20 0 EAADRO CN1CCN(c2cc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)ncn2)CC1=O ZINC001163242867 793637037 /nfs/dbraw/zinc/63/70/37/793637037.db2.gz RAAGFQUOASVDDJ-BONVTDFDSA-N 1 0 331.380 -1.255 20 0 EAADRO CN1CCN(c2cc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)ncn2)CC1=O ZINC001163242868 793638724 /nfs/dbraw/zinc/63/87/24/793638724.db2.gz RAAGFQUOASVDDJ-MEBBXXQBSA-N 1 0 331.380 -1.255 20 0 EAADRO CN1CCN(c2cc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)ncn2)CC1=O ZINC001163242869 793637799 /nfs/dbraw/zinc/63/77/99/793637799.db2.gz RAAGFQUOASVDDJ-ZUZCIYMTSA-N 1 0 331.380 -1.255 20 0 EAADRO CCOCC(=O)NCCC1(C[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001163251832 793638311 /nfs/dbraw/zinc/63/83/11/793638311.db2.gz YPMXXKVJHFLZSG-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO CS(=O)(=O)CCn1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1=O ZINC001163254257 793638254 /nfs/dbraw/zinc/63/82/54/793638254.db2.gz QEHFOPZIISLXPN-BXUZGUMPSA-N 1 0 340.405 -1.117 20 0 EAADRO CS(=O)(=O)CCn1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc1=O ZINC001163254261 793638160 /nfs/dbraw/zinc/63/81/60/793638160.db2.gz QEHFOPZIISLXPN-FZMZJTMJSA-N 1 0 340.405 -1.117 20 0 EAADRO CS(=O)(=O)CCn1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1=O ZINC001163254263 793638591 /nfs/dbraw/zinc/63/85/91/793638591.db2.gz QEHFOPZIISLXPN-RISCZKNCSA-N 1 0 340.405 -1.117 20 0 EAADRO CS(=O)(=O)CCn1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc1=O ZINC001163254265 793638106 /nfs/dbraw/zinc/63/81/06/793638106.db2.gz QEHFOPZIISLXPN-SMDDNHRTSA-N 1 0 340.405 -1.117 20 0 EAADRO CCCCN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163274790 793638977 /nfs/dbraw/zinc/63/89/77/793638977.db2.gz GLPOOBSCZHDYCH-GFCCVEGCSA-N 1 0 343.428 -1.222 20 0 EAADRO CCCCN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163274791 793638337 /nfs/dbraw/zinc/63/83/37/793638337.db2.gz GLPOOBSCZHDYCH-LBPRGKRZSA-N 1 0 343.428 -1.222 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnc(C)s1 ZINC001163282695 793638921 /nfs/dbraw/zinc/63/89/21/793638921.db2.gz AHJCAOIGRQAEFT-UHFFFAOYSA-N 1 0 336.443 -1.504 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccc(OC)nn1 ZINC001163282697 793638755 /nfs/dbraw/zinc/63/87/55/793638755.db2.gz AHSXDYFPVSFUAX-UHFFFAOYSA-N 1 0 346.413 -1.865 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccc(F)cn1 ZINC001163282714 793638943 /nfs/dbraw/zinc/63/89/43/793638943.db2.gz AZJHVPUEGHRRST-UHFFFAOYSA-N 1 0 333.389 -1.130 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cn(C)nc1C ZINC001163282749 793638843 /nfs/dbraw/zinc/63/88/43/793638843.db2.gz BXDHXFCWQZKZIG-UHFFFAOYSA-N 1 0 332.430 -1.622 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001163282752 793638098 /nfs/dbraw/zinc/63/80/98/793638098.db2.gz BXYPIFBBQSKNTF-UHFFFAOYSA-N 1 0 335.430 -2.338 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cc(C)n(C)n1 ZINC001163282801 793638429 /nfs/dbraw/zinc/63/84/29/793638429.db2.gz CYZLCTZGTRLCIB-UHFFFAOYSA-N 1 0 332.430 -1.622 20 0 EAADRO CCn1c(C)nnc1C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163282956 793638993 /nfs/dbraw/zinc/63/89/93/793638993.db2.gz FEEVQOQPENLSOR-UHFFFAOYSA-N 1 0 347.445 -1.744 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001163282967 793638011 /nfs/dbraw/zinc/63/80/11/793638011.db2.gz FLUOHVZEGBYNLF-JTQLQIEISA-N 1 0 347.370 -1.228 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1COCCN1CC(F)F ZINC001163282968 793638563 /nfs/dbraw/zinc/63/85/63/793638563.db2.gz FLUOHVZEGBYNLF-SNVBAGLBSA-N 1 0 347.370 -1.228 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)n1C ZINC001163282973 793638814 /nfs/dbraw/zinc/63/88/14/793638814.db2.gz FPQYNKCZKPBXTL-UHFFFAOYSA-N 1 0 347.445 -1.973 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccc(CO)cc1 ZINC001163282979 793638266 /nfs/dbraw/zinc/63/82/66/793638266.db2.gz FVDNORYLGDWLRE-UHFFFAOYSA-N 1 0 344.437 -1.171 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ncnn1C(C)C ZINC001163283002 793638290 /nfs/dbraw/zinc/63/82/90/793638290.db2.gz GOAWGEZQFMRFJS-UHFFFAOYSA-N 1 0 347.445 -1.491 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001163283029 793638738 /nfs/dbraw/zinc/63/87/38/793638738.db2.gz GZVCDBCLPOYZBY-UHFFFAOYSA-N 1 0 335.390 -3.242 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001163283032 793638663 /nfs/dbraw/zinc/63/86/63/793638663.db2.gz HASDCQIJZUZBNO-UHFFFAOYSA-N 1 0 335.430 -2.242 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)n1 ZINC001163283154 793638970 /nfs/dbraw/zinc/63/89/70/793638970.db2.gz HYQXYAYSXUYKNA-UHFFFAOYSA-N 1 0 333.418 -2.052 20 0 EAADRO CCCn1ncnc1C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163283156 793638951 /nfs/dbraw/zinc/63/89/51/793638951.db2.gz IIOIEYKRTFUYKJ-UHFFFAOYSA-N 1 0 347.445 -1.662 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001163283157 793638028 /nfs/dbraw/zinc/63/80/28/793638028.db2.gz INWWGXRTJWMKEG-UHFFFAOYSA-N 1 0 349.457 -1.996 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163283184 793637997 /nfs/dbraw/zinc/63/79/97/793637997.db2.gz JRWRQKQFRNKRFE-UHFFFAOYSA-N 1 0 338.390 -3.408 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163283204 793638173 /nfs/dbraw/zinc/63/81/73/793638173.db2.gz KCAILVBVXIXYBM-UHFFFAOYSA-N 1 0 347.445 -1.744 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163283206 793638597 /nfs/dbraw/zinc/63/85/97/793638597.db2.gz KFCNZFRWJOSOOB-UHFFFAOYSA-N 1 0 333.418 -2.052 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCOCC(F)F ZINC001163283271 793637976 /nfs/dbraw/zinc/63/79/76/793637976.db2.gz LQUOHXIRKJTHDK-UHFFFAOYSA-N 1 0 332.373 -1.582 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163283278 793638694 /nfs/dbraw/zinc/63/86/94/793638694.db2.gz LTPDHJLGGZNAFL-JTQLQIEISA-N 1 0 337.446 -1.949 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163283280 793637896 /nfs/dbraw/zinc/63/78/96/793637896.db2.gz LTPDHJLGGZNAFL-SNVBAGLBSA-N 1 0 337.446 -1.949 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cccnc1OC ZINC001163283355 793638526 /nfs/dbraw/zinc/63/85/26/793638526.db2.gz MKQFNRTVCCIFTA-UHFFFAOYSA-N 1 0 345.425 -1.260 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1COCCN1CC(F)F ZINC001163283366 793638782 /nfs/dbraw/zinc/63/87/82/793638782.db2.gz MUDNLOHJQUIQHL-GHMZBOCLSA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1COCCN1CC(F)F ZINC001163283367 793637882 /nfs/dbraw/zinc/63/78/82/793637882.db2.gz MUDNLOHJQUIQHL-MNOVXSKESA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1COCCN1CC(F)F ZINC001163283368 793638490 /nfs/dbraw/zinc/63/84/90/793638490.db2.gz MUDNLOHJQUIQHL-QWRGUYRKSA-N 1 0 334.367 -1.063 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1COCCN1CC(F)F ZINC001163283369 793638640 /nfs/dbraw/zinc/63/86/40/793638640.db2.gz MUDNLOHJQUIQHL-WDEREUQCSA-N 1 0 334.367 -1.063 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)c1cnccn1 ZINC001163283387 793638575 /nfs/dbraw/zinc/63/85/75/793638575.db2.gz NHBBSHJGTHNPIO-JTQLQIEISA-N 1 0 330.414 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)c1cnccn1 ZINC001163283389 793638865 /nfs/dbraw/zinc/63/88/65/793638865.db2.gz NHBBSHJGTHNPIO-SNVBAGLBSA-N 1 0 330.414 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001163283411 793638189 /nfs/dbraw/zinc/63/81/89/793638189.db2.gz NPAVXVPBVNYTKU-UHFFFAOYSA-N 1 0 332.430 -1.888 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cncc(F)c1 ZINC001163283421 793638997 /nfs/dbraw/zinc/63/89/97/793638997.db2.gz NRMNTCMMNNHDND-UHFFFAOYSA-N 1 0 333.389 -1.130 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001163283437 793638647 /nfs/dbraw/zinc/63/86/47/793638647.db2.gz OFXDLYHECDTPFT-JTQLQIEISA-N 1 0 335.430 -2.243 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001163283440 793638795 /nfs/dbraw/zinc/63/87/95/793638795.db2.gz OFXDLYHECDTPFT-SNVBAGLBSA-N 1 0 335.430 -2.243 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001163283463 793638538 /nfs/dbraw/zinc/63/85/38/793638538.db2.gz OMZDKNUGADSLNV-UHFFFAOYSA-N 1 0 330.432 -2.819 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001163283505 793638475 /nfs/dbraw/zinc/63/84/75/793638475.db2.gz PQINYWFVASVNAU-UHFFFAOYSA-N 1 0 345.429 -1.668 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccnc(OC)n1 ZINC001163283516 793638442 /nfs/dbraw/zinc/63/84/42/793638442.db2.gz PSNAHYNRTDPBCJ-UHFFFAOYSA-N 1 0 346.413 -1.865 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001163283524 793637933 /nfs/dbraw/zinc/63/79/33/793637933.db2.gz PVHMMXGVQYHTNM-MRVPVSSYSA-N 1 0 334.406 -2.579 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001163283529 793637952 /nfs/dbraw/zinc/63/79/52/793637952.db2.gz PVHMMXGVQYHTNM-QMMMGPOBSA-N 1 0 334.406 -2.579 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001163283546 793638484 /nfs/dbraw/zinc/63/84/84/793638484.db2.gz QDMGCBYCLSDWHD-UHFFFAOYSA-N 1 0 337.446 -1.997 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001163283654 793638709 /nfs/dbraw/zinc/63/87/09/793638709.db2.gz QOZNGXWPHRGVDE-UHFFFAOYSA-N 1 0 346.417 -2.342 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001163283669 793638791 /nfs/dbraw/zinc/63/87/91/793638791.db2.gz QWMMOECVPAMWAQ-UHFFFAOYSA-N 1 0 349.457 -1.805 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cn(C(C)C)nn1 ZINC001163283680 793638453 /nfs/dbraw/zinc/63/84/53/793638453.db2.gz RLCMQCVOGKNLIK-UHFFFAOYSA-N 1 0 347.445 -1.491 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccc(OC)nc1 ZINC001163283686 793638686 /nfs/dbraw/zinc/63/86/86/793638686.db2.gz RNUYLKNGJFKNHS-UHFFFAOYSA-N 1 0 345.425 -1.260 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001163283703 793638198 /nfs/dbraw/zinc/63/81/98/793638198.db2.gz SBELIINFQQHJDF-UHFFFAOYSA-N 1 0 347.445 -1.422 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163283716 793638962 /nfs/dbraw/zinc/63/89/62/793638962.db2.gz SPDILHDKMJUVNW-UHFFFAOYSA-N 1 0 337.446 -1.996 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCc1ccnn1C ZINC001163283729 793638603 /nfs/dbraw/zinc/63/86/03/793638603.db2.gz SSUZSCDQVKAEFO-UHFFFAOYSA-N 1 0 332.430 -1.888 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001163283744 793638551 /nfs/dbraw/zinc/63/85/51/793638551.db2.gz TZGFPCXEHIPFOZ-MRVPVSSYSA-N 1 0 335.386 -3.059 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001163283745 793638700 /nfs/dbraw/zinc/63/87/00/793638700.db2.gz TZGFPCXEHIPFOZ-QMMMGPOBSA-N 1 0 335.386 -3.059 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccnc(OC)c1 ZINC001163283968 793638832 /nfs/dbraw/zinc/63/88/32/793638832.db2.gz UYFSAXLCANKKPO-UHFFFAOYSA-N 1 0 345.425 -1.260 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163284008 793637855 /nfs/dbraw/zinc/63/78/55/793637855.db2.gz VXCMXEHRPLJCNR-UHFFFAOYSA-N 1 0 337.446 -1.948 20 0 EAADRO CCn1cc(CC[NH2+]CCCNC(=O)CNS(=O)(=O)NC)cn1 ZINC001163284015 793638633 /nfs/dbraw/zinc/63/86/33/793638633.db2.gz WBCODYJLFYYORX-UHFFFAOYSA-N 1 0 346.457 -1.405 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163284032 793638047 /nfs/dbraw/zinc/63/80/47/793638047.db2.gz WLZMCLPDHUFTIS-UHFFFAOYSA-N 1 0 333.418 -2.052 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nccc(C)n1 ZINC001163284084 793638395 /nfs/dbraw/zinc/63/83/95/793638395.db2.gz XBKNTSZGXXAGRL-UHFFFAOYSA-N 1 0 330.414 -1.565 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCOCCOC ZINC001163284231 793638586 /nfs/dbraw/zinc/63/85/86/793638586.db2.gz XMCRMWCQFUJKDB-UHFFFAOYSA-N 1 0 326.419 -2.201 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCn1nc(C)nc1C ZINC001163284240 793637985 /nfs/dbraw/zinc/63/79/85/793637985.db2.gz XPTXJWGGXYYSQS-UHFFFAOYSA-N 1 0 347.445 -1.955 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCCc1nc(C)no1 ZINC001163284247 793638366 /nfs/dbraw/zinc/63/83/66/793638366.db2.gz XSENZECIMWSPSF-UHFFFAOYSA-N 1 0 348.429 -1.540 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ncc(C)cn1 ZINC001163284282 793638034 /nfs/dbraw/zinc/63/80/34/793638034.db2.gz YFLGCELRMYNBCQ-UHFFFAOYSA-N 1 0 330.414 -1.565 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cccc(OC)n1 ZINC001163284294 793638142 /nfs/dbraw/zinc/63/81/42/793638142.db2.gz YYAQRQNMCPICLA-UHFFFAOYSA-N 1 0 345.425 -1.260 20 0 EAADRO CCc1cnc(C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)o1 ZINC001163284295 793638279 /nfs/dbraw/zinc/63/82/79/793638279.db2.gz YYRFSKCLXACNTR-UHFFFAOYSA-N 1 0 333.414 -1.113 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001163284301 793638387 /nfs/dbraw/zinc/63/83/87/793638387.db2.gz ZCJAJYICSWIHTL-UHFFFAOYSA-N 1 0 335.430 -2.243 20 0 EAADRO CCc1nocc1C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163284315 793638422 /nfs/dbraw/zinc/63/84/22/793638422.db2.gz ZXTRWYKWAPQAPM-UHFFFAOYSA-N 1 0 333.414 -1.113 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)NC(C)=O)CC1 ZINC001163285597 793638749 /nfs/dbraw/zinc/63/87/49/793638749.db2.gz IMPUERPVFGOGLX-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)NC(C)=O)CC1 ZINC001163285598 793638214 /nfs/dbraw/zinc/63/82/14/793638214.db2.gz IMPUERPVFGOGLX-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001163285953 793638299 /nfs/dbraw/zinc/63/82/99/793638299.db2.gz NDQNXIOICQQOTJ-SECBINFHSA-N 1 0 327.385 -1.418 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001163285954 793638655 /nfs/dbraw/zinc/63/86/55/793638655.db2.gz NDQNXIOICQQOTJ-VIFPVBQESA-N 1 0 327.385 -1.418 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C2=COCCO2)CC1 ZINC001163286358 793638071 /nfs/dbraw/zinc/63/80/71/793638071.db2.gz TVTOJDREHKBMMT-UHFFFAOYSA-N 1 0 326.353 -1.054 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001163290107 793638498 /nfs/dbraw/zinc/63/84/98/793638498.db2.gz AMKIYKDRISDKPY-UHFFFAOYSA-N 1 0 344.459 -2.429 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001163290109 793638990 /nfs/dbraw/zinc/63/89/90/793638990.db2.gz AOTXDBQJBFGTPE-UHFFFAOYSA-N 1 0 336.418 -2.839 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001163290116 793638618 /nfs/dbraw/zinc/63/86/18/793638618.db2.gz AWDWHYXXOGOFFO-LLVKDONJSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001163290117 793638611 /nfs/dbraw/zinc/63/86/11/793638611.db2.gz AWDWHYXXOGOFFO-NSHDSACASA-N 1 0 336.458 -1.049 20 0 EAADRO CCOC1CC(C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)C1 ZINC001163290121 793638966 /nfs/dbraw/zinc/63/89/66/793638966.db2.gz BDCDUUVWVYIUGA-UHFFFAOYSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001163290125 793638544 /nfs/dbraw/zinc/63/85/44/793638544.db2.gz BKOHBDPWCGKBPX-JTQLQIEISA-N 1 0 345.429 -2.085 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001163290126 793638374 /nfs/dbraw/zinc/63/83/74/793638374.db2.gz BKOHBDPWCGKBPX-SNVBAGLBSA-N 1 0 345.429 -2.085 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001163290138 793638851 /nfs/dbraw/zinc/63/88/51/793638851.db2.gz BWRCNWVGHZSYHN-UHFFFAOYSA-N 1 0 348.385 -2.237 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC001163290144 793638803 /nfs/dbraw/zinc/63/88/03/793638803.db2.gz BZZKWKZUUPHFDT-NEPJUHHUSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC001163290146 793640042 /nfs/dbraw/zinc/64/00/42/793640042.db2.gz BZZKWKZUUPHFDT-NWDGAFQWSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC001163290147 793638937 /nfs/dbraw/zinc/63/89/37/793638937.db2.gz BZZKWKZUUPHFDT-RYUDHWBXSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC001163290149 793638516 /nfs/dbraw/zinc/63/85/16/793638516.db2.gz BZZKWKZUUPHFDT-VXGBXAGGSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H](OC)C1CCC1 ZINC001163290194 793639217 /nfs/dbraw/zinc/63/92/17/793639217.db2.gz CYLPEYHXWBGQNO-GFCCVEGCSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H](OC)C1CCC1 ZINC001163290195 793639999 /nfs/dbraw/zinc/63/99/99/793639999.db2.gz CYLPEYHXWBGQNO-LBPRGKRZSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001163290196 793640064 /nfs/dbraw/zinc/64/00/64/793640064.db2.gz CYQLDNBPZWBGSX-JTQLQIEISA-N 1 0 349.457 -1.949 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001163290197 793640032 /nfs/dbraw/zinc/64/00/32/793640032.db2.gz CYQLDNBPZWBGSX-SNVBAGLBSA-N 1 0 349.457 -1.949 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nc(C)oc1C ZINC001163290210 793639232 /nfs/dbraw/zinc/63/92/32/793639232.db2.gz DMLOBHWROFDVHW-UHFFFAOYSA-N 1 0 333.414 -1.059 20 0 EAADRO CCn1nc(C)c(C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)n1 ZINC001163290222 793639579 /nfs/dbraw/zinc/63/95/79/793639579.db2.gz DVDLXOZTFJQLQA-UHFFFAOYSA-N 1 0 347.445 -1.744 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001163290404 793640161 /nfs/dbraw/zinc/64/01/61/793640161.db2.gz FFVDYVLFAXTAHI-CYBMUJFWSA-N 1 0 344.437 -1.130 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCOCC1CCC1 ZINC001163290405 793639541 /nfs/dbraw/zinc/63/95/41/793639541.db2.gz FGZGAWLXBWCKJR-UHFFFAOYSA-N 1 0 336.458 -1.047 20 0 EAADRO CCCn1nnnc1C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163290408 793639900 /nfs/dbraw/zinc/63/99/00/793639900.db2.gz FJCITGKVULZWPA-UHFFFAOYSA-N 1 0 348.433 -2.267 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cc(OC)no1 ZINC001163290416 793639799 /nfs/dbraw/zinc/63/97/99/793639799.db2.gz FPQGKLISZADGPL-UHFFFAOYSA-N 1 0 335.386 -1.667 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)nn1 ZINC001163290429 793639808 /nfs/dbraw/zinc/63/98/08/793639808.db2.gz GIZBEKBADJEAIK-UHFFFAOYSA-N 1 0 333.418 -2.052 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCC1CCOCC1 ZINC001163290445 793639290 /nfs/dbraw/zinc/63/92/90/793639290.db2.gz HHHAFMYNHNZGLU-UHFFFAOYSA-N 1 0 336.458 -1.047 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCc1ccns1 ZINC001163290463 793639845 /nfs/dbraw/zinc/63/98/45/793639845.db2.gz IERBXZRJTCPVKZ-UHFFFAOYSA-N 1 0 335.455 -1.165 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001163290480 793640124 /nfs/dbraw/zinc/64/01/24/793640124.db2.gz IYWMIBXMMWEIDV-LLVKDONJSA-N 1 0 349.457 -1.948 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001163290481 793639966 /nfs/dbraw/zinc/63/99/66/793639966.db2.gz IYWMIBXMMWEIDV-NSHDSACASA-N 1 0 349.457 -1.948 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)c1nncn1C ZINC001163290483 793639556 /nfs/dbraw/zinc/63/95/56/793639556.db2.gz JCCROTUGZHAZNJ-SECBINFHSA-N 1 0 333.418 -1.974 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001163290484 793639749 /nfs/dbraw/zinc/63/97/49/793639749.db2.gz JCCROTUGZHAZNJ-VIFPVBQESA-N 1 0 333.418 -1.974 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1c(C)noc1C ZINC001163290486 793639301 /nfs/dbraw/zinc/63/93/01/793639301.db2.gz JFRARAAEZHCGOI-UHFFFAOYSA-N 1 0 333.414 -1.059 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC(C)C ZINC001163290489 793639624 /nfs/dbraw/zinc/63/96/24/793639624.db2.gz JKJZBCDQKWUNEV-UHFFFAOYSA-N 1 0 337.446 -2.092 20 0 EAADRO CCc1nnc([C@@H](C)[NH2+]CCCNC(=O)CNS(=O)(=O)NC)[nH]1 ZINC001163290497 793640199 /nfs/dbraw/zinc/64/01/99/793640199.db2.gz KAKRUQGNHQZFKZ-SECBINFHSA-N 1 0 347.445 -1.422 20 0 EAADRO CCc1nnc([C@H](C)[NH2+]CCCNC(=O)CNS(=O)(=O)NC)[nH]1 ZINC001163290550 793639465 /nfs/dbraw/zinc/63/94/65/793639465.db2.gz KAKRUQGNHQZFKZ-VIFPVBQESA-N 1 0 347.445 -1.422 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)CNS(=O)(=O)NC)C1=O ZINC001163290555 793639370 /nfs/dbraw/zinc/63/93/70/793639370.db2.gz KDEBIQVXJNHQDH-JTQLQIEISA-N 1 0 335.430 -2.243 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)CNS(=O)(=O)NC)C1=O ZINC001163290556 793639522 /nfs/dbraw/zinc/63/95/22/793639522.db2.gz KDEBIQVXJNHQDH-SNVBAGLBSA-N 1 0 335.430 -2.243 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001163290618 793640017 /nfs/dbraw/zinc/64/00/17/793640017.db2.gz KVCBEHJKCNZAGQ-LLVKDONJSA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001163290619 793639793 /nfs/dbraw/zinc/63/97/93/793639793.db2.gz KVCBEHJKCNZAGQ-NSHDSACASA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cc(C)ncn1 ZINC001163290631 793639494 /nfs/dbraw/zinc/63/94/94/793639494.db2.gz LYFCDRQFDLRZTD-UHFFFAOYSA-N 1 0 330.414 -1.565 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001163290639 793639263 /nfs/dbraw/zinc/63/92/63/793639263.db2.gz MHXONSIHQNTVFY-MRVPVSSYSA-N 1 0 333.418 -1.676 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001163290640 793640294 /nfs/dbraw/zinc/64/02/94/793640294.db2.gz MHXONSIHQNTVFY-QMMMGPOBSA-N 1 0 333.418 -1.676 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001163290646 793639947 /nfs/dbraw/zinc/63/99/47/793639947.db2.gz MLABZYLXWIDNIO-UHFFFAOYSA-N 1 0 345.447 -3.315 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001163290647 793639820 /nfs/dbraw/zinc/63/98/20/793639820.db2.gz MLQVSMNLMXGFFA-SECBINFHSA-N 1 0 335.430 -2.197 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001163290648 793639702 /nfs/dbraw/zinc/63/97/02/793639702.db2.gz MLQVSMNLMXGFFA-VIFPVBQESA-N 1 0 335.430 -2.197 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cncc(OC)n1 ZINC001163290651 793640240 /nfs/dbraw/zinc/64/02/40/793640240.db2.gz MMTHTAOIPBSLDX-UHFFFAOYSA-N 1 0 346.413 -1.865 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001163290660 793639592 /nfs/dbraw/zinc/63/95/92/793639592.db2.gz MVZSUIXTBGTEHL-UHFFFAOYSA-N 1 0 349.457 -1.851 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001163290676 793639435 /nfs/dbraw/zinc/63/94/35/793639435.db2.gz NPZVHGOXGAPGST-UHFFFAOYSA-N 1 0 335.430 -2.338 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001163290687 793640049 /nfs/dbraw/zinc/64/00/49/793640049.db2.gz OATPWQFSZJACTD-UHFFFAOYSA-N 1 0 335.430 -2.242 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001163290806 793639504 /nfs/dbraw/zinc/63/95/04/793639504.db2.gz QMZYCRZKORIXRR-UHFFFAOYSA-N 1 0 337.446 -1.949 20 0 EAADRO CCO[C@H](C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)C1CC1 ZINC001163290811 793640190 /nfs/dbraw/zinc/64/01/90/793640190.db2.gz QTVMZRVFEGUTKM-GFCCVEGCSA-N 1 0 336.458 -1.049 20 0 EAADRO CCO[C@@H](C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)C1CC1 ZINC001163290812 793640008 /nfs/dbraw/zinc/64/00/08/793640008.db2.gz QTVMZRVFEGUTKM-LBPRGKRZSA-N 1 0 336.458 -1.049 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001163290820 793639916 /nfs/dbraw/zinc/63/99/16/793639916.db2.gz RDMNPTLCIHLBMW-SSDOTTSWSA-N 1 0 338.390 -3.281 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001163290824 793639924 /nfs/dbraw/zinc/63/99/24/793639924.db2.gz RDMNPTLCIHLBMW-ZETCQYMHSA-N 1 0 338.390 -3.281 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cnc(C)cn1 ZINC001163290836 793639411 /nfs/dbraw/zinc/63/94/11/793639411.db2.gz RLWZRBAPSPFGHZ-UHFFFAOYSA-N 1 0 330.414 -1.565 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nc(C)c(C)o1 ZINC001163290837 793639640 /nfs/dbraw/zinc/63/96/40/793639640.db2.gz RMUDGMWVQOEZKQ-UHFFFAOYSA-N 1 0 333.414 -1.059 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)c1ncccn1 ZINC001163290860 793639527 /nfs/dbraw/zinc/63/95/27/793639527.db2.gz SGAAGJQYFJSAKX-JTQLQIEISA-N 1 0 330.414 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)c1ncccn1 ZINC001163290861 793639984 /nfs/dbraw/zinc/63/99/84/793639984.db2.gz SGAAGJQYFJSAKX-SNVBAGLBSA-N 1 0 330.414 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1snnc1C ZINC001163290894 786271220 /nfs/dbraw/zinc/27/12/20/786271220.db2.gz SRSAPGALNNAIPI-UHFFFAOYSA-N 1 0 336.443 -1.504 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)c1cnc(C)cn1 ZINC001163290910 793639856 /nfs/dbraw/zinc/63/98/56/793639856.db2.gz UHVZUWVWEZJJOX-LLVKDONJSA-N 1 0 344.441 -1.004 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001163290911 793640276 /nfs/dbraw/zinc/64/02/76/793640276.db2.gz UHVZUWVWEZJJOX-NSHDSACASA-N 1 0 344.441 -1.004 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cnc(C)nc1 ZINC001163290914 793639891 /nfs/dbraw/zinc/63/98/91/793639891.db2.gz UQRKTJUCIBTBFY-UHFFFAOYSA-N 1 0 330.414 -1.565 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001163290925 793640318 /nfs/dbraw/zinc/64/03/18/793640318.db2.gz VCSYAALFLLPRHU-UHFFFAOYSA-N 1 0 345.425 -1.965 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001163290939 793639536 /nfs/dbraw/zinc/63/95/36/793639536.db2.gz VSTKEKDKYMWAOL-UHFFFAOYSA-N 1 0 344.441 -1.521 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCn1nc(C)cc1C ZINC001163290945 793639445 /nfs/dbraw/zinc/63/94/45/793639445.db2.gz VTZOXWUEXBIPRD-UHFFFAOYSA-N 1 0 346.457 -1.350 20 0 EAADRO CCCC[C@H]([NH2+]CCCNC(=O)CNS(=O)(=O)NC)C(N)=O ZINC001163290991 793640094 /nfs/dbraw/zinc/64/00/94/793640094.db2.gz XGVGNOGOTDJGJK-JTQLQIEISA-N 1 0 337.446 -1.820 20 0 EAADRO CCCC[C@@H]([NH2+]CCCNC(=O)CNS(=O)(=O)NC)C(N)=O ZINC001163290993 793640269 /nfs/dbraw/zinc/64/02/69/793640269.db2.gz XGVGNOGOTDJGJK-SNVBAGLBSA-N 1 0 337.446 -1.820 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001163291000 793639830 /nfs/dbraw/zinc/63/98/30/793639830.db2.gz XHNJLAJOLXIYAC-AAEUAGOBSA-N 1 0 334.442 -1.437 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001163291001 793640025 /nfs/dbraw/zinc/64/00/25/793640025.db2.gz XHNJLAJOLXIYAC-DGCLKSJQSA-N 1 0 334.442 -1.437 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001163291003 793639380 /nfs/dbraw/zinc/63/93/80/793639380.db2.gz XHNJLAJOLXIYAC-WCQYABFASA-N 1 0 334.442 -1.437 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001163291005 793639407 /nfs/dbraw/zinc/63/94/07/793639407.db2.gz XHNJLAJOLXIYAC-YPMHNXCESA-N 1 0 334.442 -1.437 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC)C1CC1 ZINC001163291024 793640259 /nfs/dbraw/zinc/64/02/59/793640259.db2.gz YAVDYHJUFMVPHA-UHFFFAOYSA-N 1 0 349.457 -1.853 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1oc(C)nc1C ZINC001163291037 793639453 /nfs/dbraw/zinc/63/94/53/793639453.db2.gz YJQGRONFDMFHMF-UHFFFAOYSA-N 1 0 333.414 -1.059 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCC[C@@H]1CCOC1 ZINC001163291039 793639393 /nfs/dbraw/zinc/63/93/93/793639393.db2.gz YKMFMDQDSXAMPS-GFCCVEGCSA-N 1 0 336.458 -1.047 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCC[C@H]1CCOC1 ZINC001163291040 793640056 /nfs/dbraw/zinc/64/00/56/793640056.db2.gz YKMFMDQDSXAMPS-LBPRGKRZSA-N 1 0 336.458 -1.047 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nccnc1C ZINC001163291099 793639686 /nfs/dbraw/zinc/63/96/86/793639686.db2.gz YNENQKGYCPGFHM-UHFFFAOYSA-N 1 0 330.414 -1.565 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001163291131 793639838 /nfs/dbraw/zinc/63/98/38/793639838.db2.gz ZQOSVFBFIFMDPQ-SECBINFHSA-N 1 0 344.384 -1.440 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F ZINC001163291132 793639570 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-1.030 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001163293637 793639352 /nfs/dbraw/zinc/63/93/52/793639352.db2.gz UILPKOSMFHQMNZ-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001163293638 793639630 /nfs/dbraw/zinc/63/96/30/793639630.db2.gz UILPKOSMFHQMNZ-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)c2ccc(=O)[nH]n2)CC1 ZINC001163293783 793640214 /nfs/dbraw/zinc/64/02/14/793640214.db2.gz ZZDQSLHAPWMXAL-UHFFFAOYSA-N 1 0 336.352 -1.133 20 0 EAADRO Cc1cn2nc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cc2c(=O)[nH]1 ZINC001163297078 793639933 /nfs/dbraw/zinc/63/99/33/793639933.db2.gz CUVIFEVIAZPGBW-UHFFFAOYSA-N 1 0 349.351 -1.765 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cc(OC)ccn1 ZINC001163297246 793639650 /nfs/dbraw/zinc/63/96/50/793639650.db2.gz FKQFGDWTPLABNO-UHFFFAOYSA-N 1 0 345.425 -1.260 20 0 EAADRO Cc1cn2nc(C(=O)NCCC[NH2+]Cc3nnnn3C)cc2c(=O)[nH]1 ZINC001163297329 793639765 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EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163957239 793655149 /nfs/dbraw/zinc/65/51/49/793655149.db2.gz GPLMDFFTNVDRFM-NWDGAFQWSA-N 1 0 332.401 -1.870 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163957240 793655081 /nfs/dbraw/zinc/65/50/81/793655081.db2.gz GPLMDFFTNVDRFM-RYUDHWBXSA-N 1 0 332.401 -1.870 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163957241 793655439 /nfs/dbraw/zinc/65/54/39/793655439.db2.gz GPLMDFFTNVDRFM-VXGBXAGGSA-N 1 0 332.401 -1.870 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163957255 793654938 /nfs/dbraw/zinc/65/49/38/793654938.db2.gz HHBMOEDWTDKKMI-LLVKDONJSA-N 1 0 334.442 -1.069 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163957256 793655025 /nfs/dbraw/zinc/65/50/25/793655025.db2.gz HHBMOEDWTDKKMI-NSHDSACASA-N 1 0 334.442 -1.069 20 0 EAADRO CN1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)NC1=O ZINC001163957269 793655197 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EAADRO CN1C[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)NC1=O ZINC001163957291 793655587 /nfs/dbraw/zinc/65/55/87/793655587.db2.gz HXKDAFLTVBOBBM-RYUDHWBXSA-N 1 0 346.453 -1.069 20 0 EAADRO CN1C[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)NC1=O ZINC001163957292 793655337 /nfs/dbraw/zinc/65/53/37/793655337.db2.gz HXKDAFLTVBOBBM-VXGBXAGGSA-N 1 0 346.453 -1.069 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163957296 793655045 /nfs/dbraw/zinc/65/50/45/793655045.db2.gz IEXLGEXHHZYPOL-GFCCVEGCSA-N 1 0 329.401 -1.741 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163957297 793654835 /nfs/dbraw/zinc/65/48/35/793654835.db2.gz IEXLGEXHHZYPOL-LBPRGKRZSA-N 1 0 329.401 -1.741 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163957626 793655358 /nfs/dbraw/zinc/65/53/58/793655358.db2.gz NXQWZAXOJPLJBH-JTQLQIEISA-N 1 0 335.430 -1.955 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163957634 793655767 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EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001163957694 793655424 /nfs/dbraw/zinc/65/54/24/793655424.db2.gz OPSJEYCWQPXUEQ-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CN1C[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)NC1=O ZINC001163957988 793655621 /nfs/dbraw/zinc/65/56/21/793655621.db2.gz QXADGKOWENAKKH-JTQLQIEISA-N 1 0 325.369 -1.745 20 0 EAADRO CN1C[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)NC1=O ZINC001163957990 793654872 /nfs/dbraw/zinc/65/48/72/793654872.db2.gz QXADGKOWENAKKH-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163958106 793655205 /nfs/dbraw/zinc/65/52/05/793655205.db2.gz SGWSRDJBEDHFPE-LLVKDONJSA-N 1 0 328.417 -1.187 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163958107 793655430 /nfs/dbraw/zinc/65/54/30/793655430.db2.gz SGWSRDJBEDHFPE-NSHDSACASA-N 1 0 328.417 -1.187 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163958165 793655409 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-1.213 20 0 EAADRO C[C@@H](C[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1)CS(C)(=O)=O ZINC001163958248 793655212 /nfs/dbraw/zinc/65/52/12/793655212.db2.gz UAWRPJDAMOUNRY-QWRGUYRKSA-N 1 0 334.442 -1.213 20 0 EAADRO C[C@@H](C[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1)CS(C)(=O)=O ZINC001163958251 793655346 /nfs/dbraw/zinc/65/53/46/793655346.db2.gz UAWRPJDAMOUNRY-WDEREUQCSA-N 1 0 334.442 -1.213 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163958468 793654992 /nfs/dbraw/zinc/65/49/92/793654992.db2.gz VMQVDHVRYAMGGW-LLVKDONJSA-N 1 0 349.457 -1.613 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163958472 793655233 /nfs/dbraw/zinc/65/52/33/793655233.db2.gz VMQVDHVRYAMGGW-NSHDSACASA-N 1 0 349.457 -1.613 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163958487 793654897 /nfs/dbraw/zinc/65/48/97/793654897.db2.gz VTGMPWQETWSFIJ-NEPJUHHUSA-N 1 0 343.428 -1.353 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163958489 793655579 /nfs/dbraw/zinc/65/55/79/793655579.db2.gz VTGMPWQETWSFIJ-NWDGAFQWSA-N 1 0 343.428 -1.353 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163958498 793654699 /nfs/dbraw/zinc/65/46/99/793654699.db2.gz VTGMPWQETWSFIJ-RYUDHWBXSA-N 1 0 343.428 -1.353 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163958501 793654971 /nfs/dbraw/zinc/65/49/71/793654971.db2.gz VTGMPWQETWSFIJ-VXGBXAGGSA-N 1 0 343.428 -1.353 20 0 EAADRO CN1C[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)NC1=O ZINC001163958870 793655113 /nfs/dbraw/zinc/65/51/13/793655113.db2.gz ZRNOSSWYLARYRN-SECBINFHSA-N 1 0 326.357 -2.342 20 0 EAADRO CN1C[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)NC1=O ZINC001163958871 793655249 /nfs/dbraw/zinc/65/52/49/793655249.db2.gz ZRNOSSWYLARYRN-VIFPVBQESA-N 1 0 326.357 -2.342 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)CCc2nnc[nH]2)CC1 ZINC001163992134 793654793 /nfs/dbraw/zinc/65/47/93/793654793.db2.gz KUXAZDRMYOUDRE-UHFFFAOYSA-N 1 0 337.384 -1.192 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001164058747 793654852 /nfs/dbraw/zinc/65/48/52/793654852.db2.gz VSRYLLOFKXFWHD-JTQLQIEISA-N 1 0 339.396 -1.416 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001164058748 793655238 /nfs/dbraw/zinc/65/52/38/793655238.db2.gz VSRYLLOFKXFWHD-SNVBAGLBSA-N 1 0 339.396 -1.416 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001164133017 793655368 /nfs/dbraw/zinc/65/53/68/793655368.db2.gz FQDKQMDPMZZILK-ZDUSSCGKSA-N 1 0 340.424 -1.002 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001164133102 793655400 /nfs/dbraw/zinc/65/54/00/793655400.db2.gz GJUICQPYJDTJQU-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001164133104 793655666 /nfs/dbraw/zinc/65/56/66/793655666.db2.gz GJUICQPYJDTJQU-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001164133406 793655448 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COCC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001164658279 793665313 /nfs/dbraw/zinc/66/53/13/793665313.db2.gz CRDAWEZVRVGKIR-GHMZBOCLSA-N 1 0 328.413 -1.113 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001164658282 793663944 /nfs/dbraw/zinc/66/39/44/793663944.db2.gz CRDAWEZVRVGKIR-MNOVXSKESA-N 1 0 328.413 -1.113 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001164658283 793665347 /nfs/dbraw/zinc/66/53/47/793665347.db2.gz CRDAWEZVRVGKIR-QWRGUYRKSA-N 1 0 328.413 -1.113 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001164658284 793665174 /nfs/dbraw/zinc/66/51/74/793665174.db2.gz CRDAWEZVRVGKIR-WDEREUQCSA-N 1 0 328.413 -1.113 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001164658779 793664643 /nfs/dbraw/zinc/66/46/43/793664643.db2.gz HMNSXGFSEQGKPH-NEPJUHHUSA-N 1 0 340.424 -1.098 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001164658788 793665013 /nfs/dbraw/zinc/66/50/13/793665013.db2.gz HMNSXGFSEQGKPH-NWDGAFQWSA-N 1 0 340.424 -1.098 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001164658790 793665231 /nfs/dbraw/zinc/66/52/31/793665231.db2.gz HMNSXGFSEQGKPH-RYUDHWBXSA-N 1 0 340.424 -1.098 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001164658792 793665512 /nfs/dbraw/zinc/66/55/12/793665512.db2.gz HMNSXGFSEQGKPH-VXGBXAGGSA-N 1 0 340.424 -1.098 20 0 EAADRO Cn1nnc2c1nccc2C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001164659051 793665406 /nfs/dbraw/zinc/66/54/06/793665406.db2.gz AEXZYQTVIREHJF-JTQLQIEISA-N 1 0 345.363 -1.122 20 0 EAADRO Cn1nnc2c1nccc2C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001164659055 793665355 /nfs/dbraw/zinc/66/53/55/793665355.db2.gz AEXZYQTVIREHJF-SNVBAGLBSA-N 1 0 345.363 -1.122 20 0 EAADRO Cn1nnc2c1nccc2C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001164659118 793665558 /nfs/dbraw/zinc/66/55/58/793665558.db2.gz AVJDQSAMRJCOBN-UHFFFAOYSA-N 1 0 345.367 -1.305 20 0 EAADRO NC(=O)Cc1occc1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001164660184 793664427 /nfs/dbraw/zinc/66/44/27/793664427.db2.gz JTAHKUBDSKBRKG-JTQLQIEISA-N 1 0 336.348 -1.178 20 0 EAADRO NC(=O)Cc1occc1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001164660191 793663837 /nfs/dbraw/zinc/66/38/37/793663837.db2.gz JTAHKUBDSKBRKG-SNVBAGLBSA-N 1 0 336.348 -1.178 20 0 EAADRO Cn1nnc2c1nccc2C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001164660941 793665400 /nfs/dbraw/zinc/66/54/00/793665400.db2.gz NAENNRJHYZEZPM-UHFFFAOYSA-N 1 0 334.340 -1.732 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1ccnc2c1nnn2C)C(=O)NC(N)=O ZINC001164661064 793665382 /nfs/dbraw/zinc/66/53/82/793665382.db2.gz OIKBAAVGRNOGNP-MRVPVSSYSA-N 1 0 348.367 -1.344 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1ccnc2c1nnn2C)C(=O)NC(N)=O ZINC001164661066 793664283 /nfs/dbraw/zinc/66/42/83/793664283.db2.gz OIKBAAVGRNOGNP-QMMMGPOBSA-N 1 0 348.367 -1.344 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccnc2c1nnn2C ZINC001164662091 793663801 /nfs/dbraw/zinc/66/38/01/793663801.db2.gz VLPUHUQXWYQSNH-UHFFFAOYSA-N 1 0 348.367 -1.472 20 0 EAADRO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001164669126 793665530 /nfs/dbraw/zinc/66/55/30/793665530.db2.gz HJARSDONPCTZSM-UHFFFAOYSA-N 1 0 331.438 -1.005 20 0 EAADRO COC[C@H](O)C[NH2+]CC1(CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001164669644 793664228 /nfs/dbraw/zinc/66/42/28/793664228.db2.gz MVRUHGYDKAVCCX-GFCCVEGCSA-N 1 0 334.438 -1.086 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001164669645 793665240 /nfs/dbraw/zinc/66/52/40/793665240.db2.gz MVRUHGYDKAVCCX-LBPRGKRZSA-N 1 0 334.438 -1.086 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001164669851 793664418 /nfs/dbraw/zinc/66/44/18/793664418.db2.gz RBNJCJCTYXEDCP-UHFFFAOYSA-N 1 0 346.409 -1.898 20 0 EAADRO O=C(NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)C1CS(=O)(=O)C1 ZINC001164670550 793664564 /nfs/dbraw/zinc/66/45/64/793664564.db2.gz YUZHUUQTOSFJAM-LLVKDONJSA-N 1 0 329.422 -1.204 20 0 EAADRO O=C(NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)C1CS(=O)(=O)C1 ZINC001164670651 793665266 /nfs/dbraw/zinc/66/52/66/793665266.db2.gz YUZHUUQTOSFJAM-NSHDSACASA-N 1 0 329.422 -1.204 20 0 EAADRO O=C(NCCC1(C[NH2+]CCOCCO)CC1)C1CS(=O)(=O)C1 ZINC001164670687 793665301 /nfs/dbraw/zinc/66/53/01/793665301.db2.gz ZQMLQTGFCXSPJP-UHFFFAOYSA-N 1 0 334.438 -1.084 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)COc1cnn(C)c1)S(C)(=O)=O ZINC001164675506 793664868 /nfs/dbraw/zinc/66/48/68/793664868.db2.gz GQWVYSANKZJJCZ-UHFFFAOYSA-N 1 0 347.441 -1.214 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)COc1cnn(C)c1 ZINC001164675731 793665488 /nfs/dbraw/zinc/66/54/88/793665488.db2.gz LVZKKWIKEANAMY-UHFFFAOYSA-N 1 0 326.357 -1.650 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)COc1cnn(C)c1 ZINC001164675899 793663976 /nfs/dbraw/zinc/66/39/76/793663976.db2.gz NRRZBNNCSCJUME-UHFFFAOYSA-N 1 0 340.384 -1.260 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)COc1cnn(C)c1 ZINC001164676151 793665319 /nfs/dbraw/zinc/66/53/19/793665319.db2.gz VAXLLLDCUSRBHG-CYBMUJFWSA-N 1 0 344.412 -1.081 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)COc1cnn(C)c1 ZINC001164676152 793664900 /nfs/dbraw/zinc/66/49/00/793664900.db2.gz VAXLLLDCUSRBHG-ZDUSSCGKSA-N 1 0 344.412 -1.081 20 0 EAADRO Cn1cc(OCC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001164676199 793665094 /nfs/dbraw/zinc/66/50/94/793665094.db2.gz WRFCYMOUIYSZMI-UHFFFAOYSA-N 1 0 339.396 -1.246 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)COc1cnn(C)c1)C(=O)NC(N)=O ZINC001164683810 793664501 /nfs/dbraw/zinc/66/45/01/793664501.db2.gz IRVQMIOTWMODNR-SECBINFHSA-N 1 0 326.357 -1.522 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)COc1cnn(C)c1)C(=O)NC(N)=O ZINC001164683811 793665283 /nfs/dbraw/zinc/66/52/83/793665283.db2.gz IRVQMIOTWMODNR-VIFPVBQESA-N 1 0 326.357 -1.522 20 0 EAADRO Cn1cc(OCC(=O)NCCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001164684844 793665596 /nfs/dbraw/zinc/66/55/96/793665596.db2.gz KXPLOFULJUGWJM-UHFFFAOYSA-N 1 0 333.414 -1.556 20 0 EAADRO Cn1cc(OCC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001164685773 793664982 /nfs/dbraw/zinc/66/49/82/793664982.db2.gz ONUJCQMFQSNCCW-UHFFFAOYSA-N 1 0 338.368 -1.553 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)COc1cnn(C)c1 ZINC001164686614 793664394 /nfs/dbraw/zinc/66/43/94/793664394.db2.gz RPGLGTBHEDAQKY-JTQLQIEISA-N 1 0 340.384 -1.261 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)COc1cnn(C)c1 ZINC001164686624 793665540 /nfs/dbraw/zinc/66/55/40/793665540.db2.gz RPGLGTBHEDAQKY-SNVBAGLBSA-N 1 0 340.384 -1.261 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1ccoc1CC(N)=O)C(=O)NC(N)=O ZINC001164687440 793665484 /nfs/dbraw/zinc/66/54/84/793665484.db2.gz UWIUMUCBJBSYSE-MRVPVSSYSA-N 1 0 339.352 -1.400 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1ccoc1CC(N)=O)C(=O)NC(N)=O ZINC001164687443 793664030 /nfs/dbraw/zinc/66/40/30/793664030.db2.gz UWIUMUCBJBSYSE-QMMMGPOBSA-N 1 0 339.352 -1.400 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1ccoc1CC(N)=O ZINC001164687514 793664745 /nfs/dbraw/zinc/66/47/45/793664745.db2.gz VSWWCCQQMOEYLR-UHFFFAOYSA-N 1 0 346.409 -1.434 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)COc1cnn(C)c1 ZINC001164687862 793664701 /nfs/dbraw/zinc/66/47/01/793664701.db2.gz XIVAZZNFXQNXPS-UHFFFAOYSA-N 1 0 347.441 -1.166 20 0 EAADRO CN1CCN(C2CN(c3ccc(N4CC[NH2+]CC4)nn3)C2)CC1=O ZINC001165109539 793665246 /nfs/dbraw/zinc/66/52/46/793665246.db2.gz XBFVVOWQMUASDZ-UHFFFAOYSA-N 1 0 331.424 -1.151 20 0 EAADRO CN1CCN(C2CN(c3cncc(N4CC[NH2+]CC4)n3)C2)CC1=O ZINC001165111803 793665389 /nfs/dbraw/zinc/66/53/89/793665389.db2.gz LRQHSIRNYJRNPS-UHFFFAOYSA-N 1 0 331.424 -1.151 20 0 EAADRO O=C(c1cccnc1N1CC(N2CCNC(=O)C2)C1)N1CC[NH2+]CC1 ZINC001165114996 793664363 /nfs/dbraw/zinc/66/43/63/793664363.db2.gz SJTJFSXVILVDBS-UHFFFAOYSA-N 1 0 344.419 -1.253 20 0 EAADRO CN1CCN(c2ccc(N(C3C[NH2+]C3)S(C)(=O)=O)nn2)CC1 ZINC001165126764 793665140 /nfs/dbraw/zinc/66/51/40/793665140.db2.gz KUYZGNGNARJZDV-UHFFFAOYSA-N 1 0 326.426 -1.034 20 0 EAADRO CN1CCN(c2nccc(N(C3C[NH2+]C3)S(C)(=O)=O)n2)CC1 ZINC001165127890 793663863 /nfs/dbraw/zinc/66/38/63/793663863.db2.gz OTYWSJJTNNHWJF-UHFFFAOYSA-N 1 0 326.426 -1.034 20 0 EAADRO NC(=O)CN1CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001165155579 793666453 /nfs/dbraw/zinc/66/64/53/793666453.db2.gz ISZBPIJDOATVIB-UHFFFAOYSA-N 1 0 332.408 -1.266 20 0 EAADRO Cn1[nH]c(C[NH2+]CC2(CCNC(=O)Cn3nccn3)CC2)nc1=O ZINC001165227457 793666639 /nfs/dbraw/zinc/66/66/39/793666639.db2.gz CWSHKMVPRIAVAE-UHFFFAOYSA-N 1 0 334.384 -1.224 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)Cn2nccn2)CC1 ZINC001165227499 793666768 /nfs/dbraw/zinc/66/67/68/793666768.db2.gz FGSHQVOHTDQNHA-UHFFFAOYSA-N 1 0 337.384 -1.390 20 0 EAADRO O=C(Cn1nccn1)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001165229277 793666358 /nfs/dbraw/zinc/66/63/58/793666358.db2.gz YYLGQFNDRLPWOM-LLVKDONJSA-N 1 0 334.380 -1.041 20 0 EAADRO O=C(Cn1nccn1)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001165229278 793666827 /nfs/dbraw/zinc/66/68/27/793666827.db2.gz YYLGQFNDRLPWOM-NSHDSACASA-N 1 0 334.380 -1.041 20 0 EAADRO O=C(Cn1nccn1)NCCC1(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001165234670 793666023 /nfs/dbraw/zinc/66/60/23/793666023.db2.gz BTTUPDBQRMWTAX-UHFFFAOYSA-N 1 0 349.395 -1.294 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)Cn2nccn2)CC1 ZINC001165235585 793666220 /nfs/dbraw/zinc/66/62/20/793666220.db2.gz SHMJKULAKYIJGO-UHFFFAOYSA-N 1 0 344.441 -1.297 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)Cn2nccn2)CC1)C(=O)NC(N)=O ZINC001165235749 793666790 /nfs/dbraw/zinc/66/67/90/793666790.db2.gz WUSLHUVLIRXNGJ-JTQLQIEISA-N 1 0 337.384 -1.262 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)Cn2nccn2)CC1)C(=O)NC(N)=O ZINC001165235750 793666851 /nfs/dbraw/zinc/66/68/51/793666851.db2.gz WUSLHUVLIRXNGJ-SNVBAGLBSA-N 1 0 337.384 -1.262 20 0 EAADRO NS(=O)(=O)c1ccc(N2CC(=O)NC3(CC[NH2+]CC3)C2)nc1 ZINC001165252376 793666291 /nfs/dbraw/zinc/66/62/91/793666291.db2.gz FSDGZMINUADJLB-UHFFFAOYSA-N 1 0 325.394 -1.213 20 0 EAADRO NS(=O)(=O)c1cccnc1N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001165253143 793666471 /nfs/dbraw/zinc/66/64/71/793666471.db2.gz UQBWSSBVDKUXQC-UHFFFAOYSA-N 1 0 325.394 -1.213 20 0 EAADRO NS(=O)(=O)c1ccc(N2CC(=O)NC3(CC[NH2+]CC3)C2)nn1 ZINC001165254371 793666397 /nfs/dbraw/zinc/66/63/97/793666397.db2.gz DJGDLNWZRBMVKS-UHFFFAOYSA-N 1 0 326.382 -1.818 20 0 EAADRO NS(=O)(=O)c1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001165255486 793666760 /nfs/dbraw/zinc/66/67/60/793666760.db2.gz RXXQJGBTUZDPLE-UHFFFAOYSA-N 1 0 325.394 -1.213 20 0 EAADRO CN1CC(=O)Nc2cnc(N3CC(=O)NC4(CC[NH2+]CC4)C3)nc21 ZINC001165255983 793665811 /nfs/dbraw/zinc/66/58/11/793665811.db2.gz GRLANVVXPWVLSZ-UHFFFAOYSA-N 1 0 331.380 -1.077 20 0 EAADRO NS(=O)(=O)c1cccc(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001165257895 793666633 /nfs/dbraw/zinc/66/66/33/793666633.db2.gz QQTHVVQWNQYOBL-UHFFFAOYSA-N 1 0 325.394 -1.213 20 0 EAADRO NS(=O)(=O)c1cnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001165258155 793666332 /nfs/dbraw/zinc/66/63/32/793666332.db2.gz VVSJDKHWMNRAQB-UHFFFAOYSA-N 1 0 343.384 -1.074 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCc2nn[nH]c21 ZINC001165276801 793666463 /nfs/dbraw/zinc/66/64/63/793666463.db2.gz CPFFWIXHIAIYAM-JTQLQIEISA-N 1 0 349.395 -1.128 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCc2nn[nH]c21 ZINC001165276802 793665986 /nfs/dbraw/zinc/66/59/86/793665986.db2.gz CPFFWIXHIAIYAM-SNVBAGLBSA-N 1 0 349.395 -1.128 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCc2nn[nH]c21)C(=O)NC(N)=O ZINC001165277153 793665927 /nfs/dbraw/zinc/66/59/27/793665927.db2.gz HDGSQCSFKOUADD-BDAKNGLRSA-N 1 0 337.384 -1.096 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2nn[nH]c21)C(=O)NC(N)=O ZINC001165277154 793666561 /nfs/dbraw/zinc/66/65/61/793666561.db2.gz HDGSQCSFKOUADD-DTWKUNHWSA-N 1 0 337.384 -1.096 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCc2nn[nH]c21)C(=O)NC(N)=O ZINC001165277155 793666519 /nfs/dbraw/zinc/66/65/19/793666519.db2.gz HDGSQCSFKOUADD-IUCAKERBSA-N 1 0 337.384 -1.096 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2nn[nH]c21)C(=O)NC(N)=O ZINC001165277156 793666839 /nfs/dbraw/zinc/66/68/39/793666839.db2.gz HDGSQCSFKOUADD-RKDXNWHRSA-N 1 0 337.384 -1.096 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001165278503 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DKVUXGMSHXXCOX-SECBINFHSA-N 1 0 330.410 -1.642 20 0 EAADRO CN(C[C@H](O)CO)c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001165527627 793670969 /nfs/dbraw/zinc/67/09/69/793670969.db2.gz DKVUXGMSHXXCOX-VIFPVBQESA-N 1 0 330.410 -1.642 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001165545054 793671688 /nfs/dbraw/zinc/67/16/88/793671688.db2.gz AVLLKGOYKIMQIZ-NSHDSACASA-N 1 0 349.395 -1.248 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001165545474 793672246 /nfs/dbraw/zinc/67/22/46/793672246.db2.gz KJWRFJYFBHYQGR-BDAKNGLRSA-N 1 0 325.369 -1.666 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001165545481 793671675 /nfs/dbraw/zinc/67/16/75/793671675.db2.gz KJWRFJYFBHYQGR-IUCAKERBSA-N 1 0 325.369 -1.666 20 0 EAADRO CC[C@H]([NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001165545589 793671694 /nfs/dbraw/zinc/67/16/94/793671694.db2.gz LURJOZRLAXANRQ-UWVGGRQHSA-N 1 0 339.396 -1.276 20 0 EAADRO CC[C@@H]([NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001165545591 793672302 /nfs/dbraw/zinc/67/23/02/793672302.db2.gz LURJOZRLAXANRQ-ZJUUUORDSA-N 1 0 339.396 -1.276 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001165545736 793671871 /nfs/dbraw/zinc/67/18/71/793671871.db2.gz NUICKQRNEHZYME-NSHDSACASA-N 1 0 342.396 -1.531 20 0 EAADRO Cn1nnnc1C[NH2+]CC1(CCNC(=O)c2cc(=O)n(C)cn2)CC1 ZINC001165551446 793671888 /nfs/dbraw/zinc/67/18/88/793671888.db2.gz NOLAPJPXNZRPLF-UHFFFAOYSA-N 1 0 346.395 -1.006 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165559511 793671875 /nfs/dbraw/zinc/67/18/75/793671875.db2.gz FEMLVHZSIYRHQL-UHFFFAOYSA-N 1 0 325.431 -1.186 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001165559551 793671881 /nfs/dbraw/zinc/67/18/81/793671881.db2.gz GXSCCZOIUKFWKJ-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CN1CCC[C@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001165559552 793671480 /nfs/dbraw/zinc/67/14/80/793671480.db2.gz GXSCCZOIUKFWKJ-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001165560589 793672157 /nfs/dbraw/zinc/67/21/57/793672157.db2.gz APYDBRYPHOMNCY-UWVGGRQHSA-N 1 0 337.380 -1.651 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001165560590 793672327 /nfs/dbraw/zinc/67/23/27/793672327.db2.gz APYDBRYPHOMNCY-ZJUUUORDSA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1nncc1C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560611 793672011 /nfs/dbraw/zinc/67/20/11/793672011.db2.gz BCIBUOPILFEPSA-NSHDSACASA-N 1 0 349.395 -1.211 20 0 EAADRO Cn1ncnc1C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560654 793671806 /nfs/dbraw/zinc/67/18/06/793671806.db2.gz CYRYVJNONHUJCG-JTQLQIEISA-N 1 0 349.395 -1.211 20 0 EAADRO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560657 793671657 /nfs/dbraw/zinc/67/16/57/793671657.db2.gz DEBFVWVGJANQSP-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560687 793671526 /nfs/dbraw/zinc/67/15/26/793671526.db2.gz FEBITUDGANTZSK-VIFPVBQESA-N 1 0 325.369 -1.793 20 0 EAADRO COC[C@H](O)C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560800 793671613 /nfs/dbraw/zinc/67/16/13/793671613.db2.gz FVDIWKPAZAUHNJ-MNOVXSKESA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560801 793671564 /nfs/dbraw/zinc/67/15/64/793671564.db2.gz FVDIWKPAZAUHNJ-QWRGUYRKSA-N 1 0 342.396 -1.532 20 0 EAADRO CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560827 793672310 /nfs/dbraw/zinc/67/23/10/793672310.db2.gz HGDHJIKILIQTEC-JTQLQIEISA-N 1 0 339.396 -1.403 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560859 793672262 /nfs/dbraw/zinc/67/22/62/793672262.db2.gz IKVAHILWBBEXTQ-UWVGGRQHSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165560860 793671785 /nfs/dbraw/zinc/67/17/85/793671785.db2.gz IKVAHILWBBEXTQ-ZJUUUORDSA-N 1 0 339.396 -1.405 20 0 EAADRO Cn1cnnc1C[NH2+]CC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001165561034 793672192 /nfs/dbraw/zinc/67/21/92/793672192.db2.gz NAFKVZPHLAZORI-JTQLQIEISA-N 1 0 349.395 -1.211 20 0 EAADRO Cn1ncc(C[NH2+]CC2(CCNC(=O)C[C@@H]3NC(=O)NC3=O)CC2)n1 ZINC001165561056 793672166 /nfs/dbraw/zinc/67/21/66/793672166.db2.gz OBDNPJXLUPKGQL-NSHDSACASA-N 1 0 349.395 -1.211 20 0 EAADRO Cn1cc(C[NH2+]CC2(CCNC(=O)C[C@@H]3NC(=O)NC3=O)CC2)nn1 ZINC001165561292 793671718 /nfs/dbraw/zinc/67/17/18/793671718.db2.gz SRXACTYCRHEOSD-NSHDSACASA-N 1 0 349.395 -1.211 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001165565292 793672295 /nfs/dbraw/zinc/67/22/95/793672295.db2.gz BDMDSCCIDWIAGP-GFCCVEGCSA-N 1 0 347.441 -1.591 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001165565297 793671243 /nfs/dbraw/zinc/67/12/43/793671243.db2.gz BDMDSCCIDWIAGP-LBPRGKRZSA-N 1 0 347.441 -1.591 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)CCCS(N)(=O)=O)nn1 ZINC001165565331 793671942 /nfs/dbraw/zinc/67/19/42/793671942.db2.gz BHWMFHDKEDDERU-UHFFFAOYSA-N 1 0 332.430 -1.037 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001165565474 793671596 /nfs/dbraw/zinc/67/15/96/793671596.db2.gz CVOLYJRVSKSPRV-UHFFFAOYSA-N 1 0 348.425 -1.700 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001165565590 793672052 /nfs/dbraw/zinc/67/20/52/793672052.db2.gz DQPLLTHRLUHTRG-SECBINFHSA-N 1 0 334.398 -2.044 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001165565594 793671794 /nfs/dbraw/zinc/67/17/94/793671794.db2.gz DQPLLTHRLUHTRG-VIFPVBQESA-N 1 0 334.398 -2.044 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001165565796 793672086 /nfs/dbraw/zinc/67/20/86/793672086.db2.gz FUSLYQQDOZLKLC-UHFFFAOYSA-N 1 0 349.413 -2.297 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001165565847 793671339 /nfs/dbraw/zinc/67/13/39/793671339.db2.gz GKKFFRIELALVGE-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001165565848 793672078 /nfs/dbraw/zinc/67/20/78/793672078.db2.gz GKKFFRIELALVGE-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO CCCn1nnnc1C[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165565863 793671906 /nfs/dbraw/zinc/67/19/06/793671906.db2.gz GNWWEHNADUQGJH-UHFFFAOYSA-N 1 0 347.445 -1.252 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165565876 793672231 /nfs/dbraw/zinc/67/22/31/793672231.db2.gz HEEXNAGAECQASZ-UHFFFAOYSA-N 1 0 336.458 -1.077 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001165565925 793671843 /nfs/dbraw/zinc/67/18/43/793671843.db2.gz HRTAOTPFTXRSPB-UHFFFAOYSA-N 1 0 334.442 -1.323 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001165565993 793672287 /nfs/dbraw/zinc/67/22/87/793672287.db2.gz KDVPJDLYIAZUAA-LLVKDONJSA-N 1 0 344.441 -1.070 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001165565994 793671329 /nfs/dbraw/zinc/67/13/29/793671329.db2.gz KDVPJDLYIAZUAA-NSHDSACASA-N 1 0 344.441 -1.070 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001165566137 793671257 /nfs/dbraw/zinc/67/12/57/793671257.db2.gz MWSMNPILSCNVHD-UHFFFAOYSA-N 1 0 347.397 -1.222 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C(=O)NC(N)=O ZINC001165566148 793671996 /nfs/dbraw/zinc/67/19/96/793671996.db2.gz NCTPHGHIHVOKPU-MRVPVSSYSA-N 1 0 337.402 -2.266 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C(=O)NC(N)=O ZINC001165566151 793671764 /nfs/dbraw/zinc/67/17/64/793671764.db2.gz NCTPHGHIHVOKPU-QMMMGPOBSA-N 1 0 337.402 -2.266 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)c1nnnn1C ZINC001165566163 793671665 /nfs/dbraw/zinc/67/16/65/793671665.db2.gz NPIJKRNAPOVIRU-SECBINFHSA-N 1 0 333.418 -1.564 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)c1nnnn1C ZINC001165566167 793671451 /nfs/dbraw/zinc/67/14/51/793671451.db2.gz NPIJKRNAPOVIRU-VIFPVBQESA-N 1 0 333.418 -1.564 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C(=O)NC1CC1 ZINC001165566200 793672278 /nfs/dbraw/zinc/67/22/78/793672278.db2.gz OKYUGUZUSUUORM-JTQLQIEISA-N 1 0 334.442 -1.182 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCCS(N)(=O)=O)C(=O)NC1CC1 ZINC001165566201 793671975 /nfs/dbraw/zinc/67/19/75/793671975.db2.gz OKYUGUZUSUUORM-SNVBAGLBSA-N 1 0 334.442 -1.182 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)CCCS(N)(=O)=O)C1CC1 ZINC001165566250 793672268 /nfs/dbraw/zinc/67/22/68/793672268.db2.gz PYFAIQGKOVXXBH-UHFFFAOYSA-N 1 0 334.442 -1.228 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001165566262 793671217 /nfs/dbraw/zinc/67/12/17/793671217.db2.gz QGQRWCLHLPTCFG-UHFFFAOYSA-N 1 0 334.442 -1.227 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001165566268 793671492 /nfs/dbraw/zinc/67/14/92/793671492.db2.gz QPDWSFKESPWZRV-UHFFFAOYSA-N 1 0 334.442 -1.227 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165566344 793672005 /nfs/dbraw/zinc/67/20/05/793672005.db2.gz ROPKDAZDKOCBNZ-UHFFFAOYSA-N 1 0 344.459 -2.300 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001165566512 793671603 /nfs/dbraw/zinc/67/16/03/793671603.db2.gz WVYFTEBVWLGLQN-UHFFFAOYSA-N 1 0 335.430 -1.824 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165566554 793671645 /nfs/dbraw/zinc/67/16/45/793671645.db2.gz XTNRUCFUTVGYNA-UHFFFAOYSA-N 1 0 343.471 -1.414 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165570344 793671628 /nfs/dbraw/zinc/67/16/28/793671628.db2.gz DWZNNPCDWKHIRH-UHFFFAOYSA-N 1 0 329.444 -1.804 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165570355 793671960 /nfs/dbraw/zinc/67/19/60/793671960.db2.gz FKBLBAVMOUPMTM-UHFFFAOYSA-N 1 0 332.430 -1.037 20 0 EAADRO CC(C)n1nnnc1C[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165570687 793671349 /nfs/dbraw/zinc/67/13/49/793671349.db2.gz JBJKGTIWKWMAEC-UHFFFAOYSA-N 1 0 347.445 -1.081 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165570765 793671703 /nfs/dbraw/zinc/67/17/03/793671703.db2.gz KCLKXUILEGHPJB-UHFFFAOYSA-N 1 0 337.402 -2.393 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001165570957 793671756 /nfs/dbraw/zinc/67/17/56/793671756.db2.gz PFBYVDWUWGWXAD-UHFFFAOYSA-N 1 0 334.442 -1.323 20 0 EAADRO NS(=O)(=O)CCCC(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001165570980 793671434 /nfs/dbraw/zinc/67/14/34/793671434.db2.gz PJCHKJWKYCPWQI-UHFFFAOYSA-N 1 0 345.429 -1.327 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)CCCS(N)(=O)=O)nc1=O ZINC001165571099 793672121 /nfs/dbraw/zinc/67/21/21/793672121.db2.gz RQCKRNPBYFZXAP-UHFFFAOYSA-N 1 0 334.402 -2.227 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165571285 793671928 /nfs/dbraw/zinc/67/19/28/793671928.db2.gz UDWDZRUWVMWEBU-UHFFFAOYSA-N 1 0 332.430 -1.037 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CCCS(N)(=O)=O)n1 ZINC001165571563 793671535 /nfs/dbraw/zinc/67/15/35/793671535.db2.gz YXBRRWZVSXIUST-UHFFFAOYSA-N 1 0 332.430 -1.037 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165589593 793671771 /nfs/dbraw/zinc/67/17/71/793671771.db2.gz XSELXJXNPXXTQM-JQWIXIFHSA-N 1 0 342.396 -1.139 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001165595883 793672059 /nfs/dbraw/zinc/67/20/59/793672059.db2.gz FHYJNMIPELASLA-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001165596341 793671953 /nfs/dbraw/zinc/67/19/53/793671953.db2.gz KRSNXXAETKKKFX-UHFFFAOYSA-N 1 0 325.369 -2.694 20 0 EAADRO Cn1ncc2c1nc(C[NH2+]CCCNC(=O)C1(C(N)=O)CC1)[nH]c2=O ZINC001165596596 793672205 /nfs/dbraw/zinc/67/22/05/793672205.db2.gz QKBHCHJCRJSICK-UHFFFAOYSA-N 1 0 347.379 -1.070 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)CC1 ZINC001165596684 793671505 /nfs/dbraw/zinc/67/15/05/793671505.db2.gz SVDFRHWXIKCQJT-UHFFFAOYSA-N 1 0 326.382 -1.162 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001165596704 793671831 /nfs/dbraw/zinc/67/18/31/793671831.db2.gz UDSLMPKTWSTXIY-UHFFFAOYSA-N 1 0 332.426 -1.617 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165596832 793672131 /nfs/dbraw/zinc/67/21/31/793672131.db2.gz UUGDKDSSEGLALL-SECBINFHSA-N 1 0 327.385 -1.418 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165596834 793672112 /nfs/dbraw/zinc/67/21/12/793672112.db2.gz UUGDKDSSEGLALL-VIFPVBQESA-N 1 0 327.385 -1.418 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165596859 793671710 /nfs/dbraw/zinc/67/17/10/793671710.db2.gz VDVZFUITZTWAOL-UHFFFAOYSA-N 1 0 327.385 -1.416 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165596861 793671653 /nfs/dbraw/zinc/67/16/53/793671653.db2.gz VEYMWEAQSOPLPN-UHFFFAOYSA-N 1 0 334.442 -1.323 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001165596932 793672068 /nfs/dbraw/zinc/67/20/68/793672068.db2.gz WPVKJKFRRANRAR-LLVKDONJSA-N 1 0 326.397 -1.357 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001165596933 793671744 /nfs/dbraw/zinc/67/17/44/793671744.db2.gz WPVKJKFRRANRAR-NSHDSACASA-N 1 0 326.397 -1.357 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001165597147 793671273 /nfs/dbraw/zinc/67/12/73/793671273.db2.gz ZWWMNGPOFKTUEM-UHFFFAOYSA-N 1 0 325.369 -1.664 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165602804 793671730 /nfs/dbraw/zinc/67/17/30/793671730.db2.gz AQPOOCINJXKKCS-UHFFFAOYSA-N 1 0 349.453 -1.201 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001165602954 793672092 /nfs/dbraw/zinc/67/20/92/793672092.db2.gz BUUGDJRUIJRCHX-JTQLQIEISA-N 1 0 340.380 -2.142 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001165602957 793672254 /nfs/dbraw/zinc/67/22/54/793672254.db2.gz BUUGDJRUIJRCHX-SNVBAGLBSA-N 1 0 340.380 -2.142 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001165603000 793671574 /nfs/dbraw/zinc/67/15/74/793671574.db2.gz CXKZVGQMBXGHCC-NSHDSACASA-N 1 0 326.397 -1.669 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COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165604186 793673710 /nfs/dbraw/zinc/67/37/10/793673710.db2.gz QJRXIYFHPLBQGU-RYUDHWBXSA-N 1 0 331.413 -1.240 20 0 EAADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165604189 793673619 /nfs/dbraw/zinc/67/36/19/793673619.db2.gz QJRXIYFHPLBQGU-VXGBXAGGSA-N 1 0 331.413 -1.240 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165604194 793673383 /nfs/dbraw/zinc/67/33/83/793673383.db2.gz QLRAHGWKUFAVHC-UHFFFAOYSA-N 1 0 334.442 -1.371 20 0 EAADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165604233 793673491 /nfs/dbraw/zinc/67/34/91/793673491.db2.gz RCAVITATOXZIHQ-UHFFFAOYSA-N 1 0 341.412 -1.028 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)C3(C(N)=O)CC3)C2=O)n1 ZINC001165604253 793673067 /nfs/dbraw/zinc/67/30/67/793673067.db2.gz RKMKTGYNLYQYQX-LLVKDONJSA-N 1 0 348.407 -1.113 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)C3(C(N)=O)CC3)C2=O)n1 ZINC001165604257 793672954 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NC(=O)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001165605495 793672618 /nfs/dbraw/zinc/67/26/18/793672618.db2.gz YWIRABUEHKEODU-NSHDSACASA-N 1 0 326.397 -1.500 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001165609166 793673166 /nfs/dbraw/zinc/67/31/66/793673166.db2.gz CGVCYFQXSIPRLP-UHFFFAOYSA-N 1 0 348.469 -1.077 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)C(C)(C)C(N)=O)CC1)C(=O)NC(N)=O ZINC001165610085 793672969 /nfs/dbraw/zinc/67/29/69/793672969.db2.gz SHFFCYZAWKBQEJ-SECBINFHSA-N 1 0 341.412 -1.043 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)C(C)(C)C(N)=O)CC1)C(=O)NC(N)=O ZINC001165610086 793673465 /nfs/dbraw/zinc/67/34/65/793673465.db2.gz SHFFCYZAWKBQEJ-VIFPVBQESA-N 1 0 341.412 -1.043 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165610270 793673454 /nfs/dbraw/zinc/67/34/54/793673454.db2.gz WVSCCDWXKBFDRR-UHFFFAOYSA-N 1 0 327.385 -1.431 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001165612312 793672918 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EAADRO C[C@@H]([NH2+]CCCNC(=O)C1(C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001165613968 793672876 /nfs/dbraw/zinc/67/28/76/793672876.db2.gz QNBLIZQUUQUYTI-SECBINFHSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C1(C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001165613969 793672739 /nfs/dbraw/zinc/67/27/39/793672739.db2.gz QNBLIZQUUQUYTI-VIFPVBQESA-N 1 0 339.396 -1.276 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001165614006 793673757 /nfs/dbraw/zinc/67/37/57/793673757.db2.gz RYOYVYFNPCWIRF-UHFFFAOYSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC001165614571 793673275 /nfs/dbraw/zinc/67/32/75/793673275.db2.gz WSQRQMAIZRQAOO-CHWSQXEVSA-N 1 0 343.424 -1.096 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC001165614573 793673767 /nfs/dbraw/zinc/67/37/67/793673767.db2.gz WSQRQMAIZRQAOO-OLZOCXBDSA-N 1 0 343.424 -1.096 20 0 EAADRO NC(=O)C1(C(=O)NCCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC001165614575 793673131 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C[C@@H]([NH2+]CCCNC(=O)C(N)=O)C(=O)NC(=O)NCC(F)(F)F ZINC001165619023 793673098 /nfs/dbraw/zinc/67/30/98/793673098.db2.gz LAWNPIPKBUUXOW-ZCFIWIBFSA-N 1 0 341.290 -1.656 20 0 EAADRO NC(=O)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CCCCC1 ZINC001165619031 793673281 /nfs/dbraw/zinc/67/32/81/793673281.db2.gz LHIJDTOQTTUGCS-UHFFFAOYSA-N 1 0 327.385 -1.274 20 0 EAADRO NC(=O)C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001165619091 793673194 /nfs/dbraw/zinc/67/31/94/793673194.db2.gz NXDKBNARHGKZAN-SECBINFHSA-N 1 0 334.398 -2.882 20 0 EAADRO NC(=O)C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001165619092 793673302 /nfs/dbraw/zinc/67/33/02/793673302.db2.gz NXDKBNARHGKZAN-VIFPVBQESA-N 1 0 334.398 -2.882 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C(N)=O)C(=O)N1CC(=O)Nc2ccccc21 ZINC001165619126 793673776 /nfs/dbraw/zinc/67/37/76/793673776.db2.gz PDXCHMWWOPKZSS-JTQLQIEISA-N 1 0 347.375 -1.059 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C(N)=O)C(=O)N1CC(=O)Nc2ccccc21 ZINC001165619127 793673676 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CNC(=O)c1ccc(NC(=O)C[NH2+]CCCNC(=O)C(N)=O)cc1 ZINC001165619307 793673399 /nfs/dbraw/zinc/67/33/99/793673399.db2.gz SQBRYTZPIKOPJD-UHFFFAOYSA-N 1 0 335.364 -1.434 20 0 EAADRO CCNC(=O)c1cccc(NC(=O)C[NH2+]CCCNC(=O)C(N)=O)c1 ZINC001165619323 793673147 /nfs/dbraw/zinc/67/31/47/793673147.db2.gz SYCQQPRVXLKBNQ-UHFFFAOYSA-N 1 0 349.391 -1.044 20 0 EAADRO NC(=O)C(=O)NCCC[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001165619363 793673579 /nfs/dbraw/zinc/67/35/79/793673579.db2.gz UOFHZMZMHNPHSL-GFCCVEGCSA-N 1 0 334.376 -1.313 20 0 EAADRO NC(=O)C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001165619366 793673084 /nfs/dbraw/zinc/67/30/84/793673084.db2.gz UOFHZMZMHNPHSL-LBPRGKRZSA-N 1 0 334.376 -1.313 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)C(N)=O)C1 ZINC001165619933 793673203 /nfs/dbraw/zinc/67/32/03/793673203.db2.gz ZTMPSGHJGCARFM-LLVKDONJSA-N 1 0 327.385 -2.305 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)C(N)=O)C1 ZINC001165619938 793673502 /nfs/dbraw/zinc/67/35/02/793673502.db2.gz 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327.385 -2.320 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C(N)=O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001165635872 793673813 /nfs/dbraw/zinc/67/38/13/793673813.db2.gz FSBNALIVPKHPEJ-VHSXEESVSA-N 1 0 327.385 -2.320 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C(N)=O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001165635873 793672926 /nfs/dbraw/zinc/67/29/26/793672926.db2.gz FSBNALIVPKHPEJ-ZJUUUORDSA-N 1 0 327.385 -2.320 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001165635918 793673525 /nfs/dbraw/zinc/67/35/25/793673525.db2.gz GTYCILNYZVTKLD-JTQLQIEISA-N 1 0 348.425 -2.397 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001165635919 793672820 /nfs/dbraw/zinc/67/28/20/793672820.db2.gz GTYCILNYZVTKLD-SNVBAGLBSA-N 1 0 348.425 -2.397 20 0 EAADRO COc1ccc(CCNC(=O)C[NH2+]CCCNC(=O)C(N)=O)cc1 ZINC001165636232 793673337 /nfs/dbraw/zinc/67/33/37/793673337.db2.gz NRNWASVAIAEIJY-UHFFFAOYSA-N 1 0 336.392 -1.065 20 0 EAADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)C(N)=O)o1 ZINC001165637267 793672799 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NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001165645285 793673436 /nfs/dbraw/zinc/67/34/36/793673436.db2.gz ZNJRRNQSFDWWID-SNVBAGLBSA-N 1 0 339.396 -1.274 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCCNC(=O)C(N)=O)CC1 ZINC001165645434 793673429 /nfs/dbraw/zinc/67/34/29/793673429.db2.gz JJKONZWCPDRRPW-JTQLQIEISA-N 1 0 327.385 -2.353 20 0 EAADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCCNC(=O)C(N)=O)CC1 ZINC001165645435 793673246 /nfs/dbraw/zinc/67/32/46/793673246.db2.gz JJKONZWCPDRRPW-SNVBAGLBSA-N 1 0 327.385 -2.353 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001165645500 793673821 /nfs/dbraw/zinc/67/38/21/793673821.db2.gz LVBDJPPTMDKFSY-SECBINFHSA-N 1 0 334.398 -2.787 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001165645601 793673512 /nfs/dbraw/zinc/67/35/12/793673512.db2.gz LVBDJPPTMDKFSY-VIFPVBQESA-N 1 0 334.398 -2.787 20 0 EAADRO NC(=O)C(=O)NCCC[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC001165645607 793673533 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COC[C@H](OC)C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166173752 793678133 /nfs/dbraw/zinc/67/81/33/793678133.db2.gz BZLKAOWCZFCRMW-NSHDSACASA-N 1 0 330.385 -1.314 20 0 EAADRO COC[C@@H](OC)C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001166174643 793678253 /nfs/dbraw/zinc/67/82/53/793678253.db2.gz KAVWHNUEOGOWOE-CHWSQXEVSA-N 1 0 331.413 -1.009 20 0 EAADRO COC[C@H](OC)C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001166174656 793678786 /nfs/dbraw/zinc/67/87/86/793678786.db2.gz KAVWHNUEOGOWOE-OLZOCXBDSA-N 1 0 331.413 -1.009 20 0 EAADRO COC[C@@H](OC)C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001166174659 793678687 /nfs/dbraw/zinc/67/86/87/793678687.db2.gz KAVWHNUEOGOWOE-QWHCGFSZSA-N 1 0 331.413 -1.009 20 0 EAADRO COC[C@H](OC)C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001166174660 793678650 /nfs/dbraw/zinc/67/86/50/793678650.db2.gz KAVWHNUEOGOWOE-STQMWFEESA-N 1 0 331.413 -1.009 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](COC)OC ZINC001166175834 793678045 /nfs/dbraw/zinc/67/80/45/793678045.db2.gz QJXUHOMJTJOQCT-LLVKDONJSA-N 1 0 325.431 -1.317 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](COC)OC ZINC001166175835 793678090 /nfs/dbraw/zinc/67/80/90/793678090.db2.gz QJXUHOMJTJOQCT-NSHDSACASA-N 1 0 325.431 -1.317 20 0 EAADRO COC[C@H](OC)C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001166177370 793677930 /nfs/dbraw/zinc/67/79/30/793677930.db2.gz YAAMYDBOOYEWKA-NEPJUHHUSA-N 1 0 345.396 -1.746 20 0 EAADRO COC[C@@H](OC)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001166177373 793678795 /nfs/dbraw/zinc/67/87/95/793678795.db2.gz YAAMYDBOOYEWKA-NWDGAFQWSA-N 1 0 345.396 -1.746 20 0 EAADRO COC[C@H](OC)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001166177375 793677900 /nfs/dbraw/zinc/67/79/00/793677900.db2.gz YAAMYDBOOYEWKA-RYUDHWBXSA-N 1 0 345.396 -1.746 20 0 EAADRO COC[C@@H](OC)C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001166177377 793677845 /nfs/dbraw/zinc/67/78/45/793677845.db2.gz YAAMYDBOOYEWKA-VXGBXAGGSA-N 1 0 345.396 -1.746 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[C@H]1CCCO1 ZINC001166187264 793678761 /nfs/dbraw/zinc/67/87/61/793678761.db2.gz WVSIUIUCPWIULN-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[C@@H]1CCCO1 ZINC001166187265 793677830 /nfs/dbraw/zinc/67/78/30/793677830.db2.gz WVSIUIUCPWIULN-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[C@H]1CCCO1 ZINC001166187266 793677940 /nfs/dbraw/zinc/67/79/40/793677940.db2.gz WVSIUIUCPWIULN-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[C@@H]1CCCO1 ZINC001166187267 793678657 /nfs/dbraw/zinc/67/86/57/793678657.db2.gz WVSIUIUCPWIULN-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001166189381 793678072 /nfs/dbraw/zinc/67/80/72/793678072.db2.gz HIRRXOWVSFJNSU-UHFFFAOYSA-N 1 0 346.453 -1.227 20 0 EAADRO COC[C@@H](OC)C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001166192054 793677947 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EAADRO CCc1ncoc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166282933 793678265 /nfs/dbraw/zinc/67/82/65/793678265.db2.gz LUMWPJACBFHTEE-UHFFFAOYSA-N 1 0 337.380 -1.095 20 0 EAADRO Cn1nnnc1C[NH2+]CC1(CCNC(=O)c2cn(C)c(=O)cn2)CC1 ZINC001166301022 793678333 /nfs/dbraw/zinc/67/83/33/793678333.db2.gz HROIFXICKFLXFI-UHFFFAOYSA-N 1 0 346.395 -1.006 20 0 EAADRO O=C(NCCC1(C[NH2+]CCCO)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001166322327 793677767 /nfs/dbraw/zinc/67/77/67/793677767.db2.gz ASEWXPVZFFYFRN-NSHDSACASA-N 1 0 347.437 -1.842 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001166322360 793677882 /nfs/dbraw/zinc/67/78/82/793677882.db2.gz BOUBFJSYBKVLTL-VIFPVBQESA-N 1 0 346.409 -2.739 20 0 EAADRO COCC[NH2+]CC1(CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001166322383 793678736 /nfs/dbraw/zinc/67/87/36/793678736.db2.gz CCXMYQQMWFIOPS-NSHDSACASA-N 1 0 347.437 -1.578 20 0 EAADRO C[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001166322416 793677874 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NS(=O)(=O)c1n[nH]cc1C(=O)NCCC[NH2+]Cc1nncs1 ZINC001166333053 793678405 /nfs/dbraw/zinc/67/84/05/793678405.db2.gz CAXYYRLWZOZXEO-UHFFFAOYSA-N 1 0 345.410 -1.182 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cccc(=O)n1C ZINC001166333099 793677908 /nfs/dbraw/zinc/67/79/08/793677908.db2.gz DLUMZXGBFXRUJV-UHFFFAOYSA-N 1 0 337.380 -1.060 20 0 EAADRO Cn1c(=O)cccc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166333114 793678653 /nfs/dbraw/zinc/67/86/53/793678653.db2.gz FCTSDCFPCWKKNW-UHFFFAOYSA-N 1 0 349.391 -1.947 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccon1 ZINC001166333117 793677818 /nfs/dbraw/zinc/67/78/18/793677818.db2.gz FEKWUNCTMMRLCY-UHFFFAOYSA-N 1 0 328.354 -1.045 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCC[NH2+]CCn1cccn1 ZINC001166333119 793678234 /nfs/dbraw/zinc/67/82/34/793678234.db2.gz FFMURTMBOPWVDQ-UHFFFAOYSA-N 1 0 341.397 -1.337 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166333130 793678227 /nfs/dbraw/zinc/67/82/27/793678227.db2.gz 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20 0 EAADRO C[C@@H](O)CCC[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166333310 793680202 /nfs/dbraw/zinc/68/02/02/793680202.db2.gz MIRFYXGCVFHZNA-SECBINFHSA-N 1 0 333.414 -1.072 20 0 EAADRO C[C@H](O)CCC[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166333311 793679744 /nfs/dbraw/zinc/67/97/44/793679744.db2.gz MIRFYXGCVFHZNA-VIFPVBQESA-N 1 0 333.414 -1.072 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(N)=O ZINC001166333322 793679881 /nfs/dbraw/zinc/67/98/81/793679881.db2.gz NCDMLWAOSYUIDB-MRVPVSSYSA-N 1 0 332.386 -1.970 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(N)=O ZINC001166333323 793680064 /nfs/dbraw/zinc/68/00/64/793680064.db2.gz NCDMLWAOSYUIDB-QMMMGPOBSA-N 1 0 332.386 -1.970 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)N(C)C ZINC001166333371 793679561 /nfs/dbraw/zinc/67/95/61/793679561.db2.gz PXVAZNGJBJNNCR-MRVPVSSYSA-N 1 0 346.413 -1.757 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(=O)N(C)C ZINC001166333372 793679719 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CN(CC[NH2+]CCCNC(=O)c1cccc(=O)n1C)S(C)(=O)=O ZINC001166333542 793680253 /nfs/dbraw/zinc/68/02/53/793680253.db2.gz XCUIFRJNGXZPPS-UHFFFAOYSA-N 1 0 344.437 -1.014 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)c2c[nH]nc2S(N)(=O)=O)n1 ZINC001166333691 793679789 /nfs/dbraw/zinc/67/97/89/793679789.db2.gz ZJSONCVHBPGIIQ-UHFFFAOYSA-N 1 0 342.385 -1.905 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166341222 793679663 /nfs/dbraw/zinc/67/96/63/793679663.db2.gz AHRGCVVCBGQKMW-UHFFFAOYSA-N 1 0 332.386 -2.097 20 0 EAADRO Cn1ccnc1C[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166341233 793679976 /nfs/dbraw/zinc/67/99/76/793679976.db2.gz ASEDEVMVQCHTKX-UHFFFAOYSA-N 1 0 341.397 -1.300 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166341251 793679830 /nfs/dbraw/zinc/67/98/30/793679830.db2.gz BRXLMGBILHHEAK-UHFFFAOYSA-N 1 0 343.373 -2.510 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166341278 793679190 /nfs/dbraw/zinc/67/91/90/793679190.db2.gz CRYWANKMYXIKNK-UHFFFAOYSA-N 1 0 344.397 -1.955 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCC[NH2+]Cc1ncccn1 ZINC001166341563 793680045 /nfs/dbraw/zinc/68/00/45/793680045.db2.gz IHRAAMUJOHESOV-UHFFFAOYSA-N 1 0 339.381 -1.243 20 0 EAADRO Cn1ccc(C[NH2+]CCCNC(=O)c2c[nH]nc2S(N)(=O)=O)n1 ZINC001166341732 793679615 /nfs/dbraw/zinc/67/96/15/793679615.db2.gz IVQBXJYLZFMJOE-UHFFFAOYSA-N 1 0 341.397 -1.300 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001166341748 793680313 /nfs/dbraw/zinc/68/03/13/793680313.db2.gz JHYVXLMXVCHZSA-SECBINFHSA-N 1 0 344.397 -1.955 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001166341749 793679769 /nfs/dbraw/zinc/67/97/69/793679769.db2.gz JHYVXLMXVCHZSA-VIFPVBQESA-N 1 0 344.397 -1.955 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166341756 793679570 /nfs/dbraw/zinc/67/95/70/793679570.db2.gz JPFHXRNDHHIRHL-UHFFFAOYSA-N 1 0 342.385 -1.905 20 0 EAADRO C[C@@]1(C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CNC(=O)C1 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EAADRO Cn1cc(N2CC[C@@H]([NH2+]CC3(CCNC(=O)C(N)=O)CC3)C2=O)cn1 ZINC001166945541 793689137 /nfs/dbraw/zinc/68/91/37/793689137.db2.gz CKBFZANQOQCVBC-GFCCVEGCSA-N 1 0 348.407 -1.113 20 0 EAADRO Cn1cc(N2CC[C@H]([NH2+]CC3(CCNC(=O)C(N)=O)CC3)C2=O)cn1 ZINC001166945542 793689197 /nfs/dbraw/zinc/68/91/97/793689197.db2.gz CKBFZANQOQCVBC-LBPRGKRZSA-N 1 0 348.407 -1.113 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001166945565 793689430 /nfs/dbraw/zinc/68/94/30/793689430.db2.gz DGQSNKZWFPVGPM-JTQLQIEISA-N 1 0 340.380 -2.142 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001166945566 793688448 /nfs/dbraw/zinc/68/84/48/793688448.db2.gz DGQSNKZWFPVGPM-SNVBAGLBSA-N 1 0 340.380 -2.142 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001166945590 793689324 /nfs/dbraw/zinc/68/93/24/793689324.db2.gz DTUKWMWMOPCKJM-UHFFFAOYSA-N 1 0 325.369 -1.710 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166945782 793688721 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CN(CC[NH2+]CCCNC(=O)CCc1cn[nH]n1)S(C)(=O)=O ZINC001166949792 793688484 /nfs/dbraw/zinc/68/84/84/793688484.db2.gz UHYJQUAKYDXJSB-UHFFFAOYSA-N 1 0 332.430 -1.275 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166949897 793688696 /nfs/dbraw/zinc/68/86/96/793688696.db2.gz WVWMQHVYMGZXTN-UHFFFAOYSA-N 1 0 326.401 -1.014 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166950236 793689374 /nfs/dbraw/zinc/68/93/74/793689374.db2.gz ZYILCQXMRPDJOI-UHFFFAOYSA-N 1 0 325.373 -1.321 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CC2(CCNC(=O)C(N)=O)CC2)C[C@H](C)O1 ZINC001166951200 793689481 /nfs/dbraw/zinc/68/94/81/793689481.db2.gz AGNLKIIPHSPPNN-RYUDHWBXSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CC2(CCNC(=O)C(N)=O)CC2)C[C@H](C)O1 ZINC001166951202 793688992 /nfs/dbraw/zinc/68/89/92/793688992.db2.gz AGNLKIIPHSPPNN-TXEJJXNPSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CC2(CCNC(=O)C(N)=O)CC2)C[C@@H](C)O1 ZINC001166951205 793688660 /nfs/dbraw/zinc/68/86/60/793688660.db2.gz AGNLKIIPHSPPNN-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166951240 793689291 /nfs/dbraw/zinc/68/92/91/793689291.db2.gz BBYGZBFRCODPJG-LLVKDONJSA-N 1 0 328.413 -1.111 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166951241 793689257 /nfs/dbraw/zinc/68/92/57/793689257.db2.gz BBYGZBFRCODPJG-NSHDSACASA-N 1 0 328.413 -1.111 20 0 EAADRO Cn1c(C[NH2+]CC2(CCNC(=O)C(N)=O)CC2)cc(=O)n(C)c1=O ZINC001166951262 793688477 /nfs/dbraw/zinc/68/84/77/793688477.db2.gz BHYFPGSUWLYMGZ-UHFFFAOYSA-N 1 0 337.380 -2.055 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166951544 793688952 /nfs/dbraw/zinc/68/89/52/793688952.db2.gz JNEXXEUSKCLANX-UHFFFAOYSA-N 1 0 341.412 -1.026 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC001166951570 793689437 /nfs/dbraw/zinc/68/94/37/793689437.db2.gz KHNVKYALJSTOOY-CHWSQXEVSA-N 1 0 343.424 -1.096 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC001166951571 793689348 /nfs/dbraw/zinc/68/93/48/793689348.db2.gz KHNVKYALJSTOOY-OLZOCXBDSA-N 1 0 343.424 -1.096 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC001166951572 793688965 /nfs/dbraw/zinc/68/89/65/793688965.db2.gz KHNVKYALJSTOOY-QWHCGFSZSA-N 1 0 343.424 -1.096 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC001166951573 793689216 /nfs/dbraw/zinc/68/92/16/793689216.db2.gz KHNVKYALJSTOOY-STQMWFEESA-N 1 0 343.424 -1.096 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]CC2(CCNC(=O)C(N)=O)CC2)C1=O ZINC001166951623 793689461 /nfs/dbraw/zinc/68/94/61/793689461.db2.gz MVPFOABMBCXRKX-UHFFFAOYSA-N 1 0 339.396 -1.322 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CC3(CCNC(=O)C(N)=O)CC3)C2=O)n1 ZINC001166951715 793688743 /nfs/dbraw/zinc/68/87/43/793688743.db2.gz RKYMTGXIVXXQSG-LLVKDONJSA-N 1 0 348.407 -1.113 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CC3(CCNC(=O)C(N)=O)CC3)C2=O)n1 ZINC001166951732 793689471 /nfs/dbraw/zinc/68/94/71/793689471.db2.gz RKYMTGXIVXXQSG-NSHDSACASA-N 1 0 348.407 -1.113 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001166951756 793688911 /nfs/dbraw/zinc/68/89/11/793688911.db2.gz SGVDFSDDVFUSMK-SECBINFHSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001166951757 793688440 /nfs/dbraw/zinc/68/84/40/793688440.db2.gz SGVDFSDDVFUSMK-VIFPVBQESA-N 1 0 339.396 -1.276 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001166951941 793688936 /nfs/dbraw/zinc/68/89/36/793688936.db2.gz XBHMGRCJHPGWKK-LLVKDONJSA-N 1 0 326.397 -1.500 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001166951942 793689490 /nfs/dbraw/zinc/68/94/90/793689490.db2.gz XBHMGRCJHPGWKK-NSHDSACASA-N 1 0 326.397 -1.500 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001166951960 793689317 /nfs/dbraw/zinc/68/93/17/793689317.db2.gz XTAQYRUYAZGBDC-GFCCVEGCSA-N 1 0 343.424 -1.096 20 0 EAADRO NC(=O)C(=O)NCCC1(C[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001166951961 793688498 /nfs/dbraw/zinc/68/84/98/793688498.db2.gz XTAQYRUYAZGBDC-LBPRGKRZSA-N 1 0 343.424 -1.096 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CC1(CCNC(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001166952017 793689224 /nfs/dbraw/zinc/68/92/24/793689224.db2.gz ZNOFGNZTENUKIG-JTQLQIEISA-N 1 0 341.412 -2.059 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CC1(CCNC(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001166952018 793690863 /nfs/dbraw/zinc/69/08/63/793690863.db2.gz ZNOFGNZTENUKIG-SNVBAGLBSA-N 1 0 341.412 -2.059 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166952022 793690234 /nfs/dbraw/zinc/69/02/34/793690234.db2.gz ZQGUIBNREMNZCW-JTQLQIEISA-N 1 0 341.412 -1.030 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166952023 793690454 /nfs/dbraw/zinc/69/04/54/793690454.db2.gz ZQGUIBNREMNZCW-SNVBAGLBSA-N 1 0 341.412 -1.030 20 0 EAADRO O=C(CCc1cn[nH]n1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166952876 793690812 /nfs/dbraw/zinc/69/08/12/793690812.db2.gz ACBODQMMBCXWPC-UHFFFAOYSA-N 1 0 337.384 -1.225 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166953291 793690660 /nfs/dbraw/zinc/69/06/60/793690660.db2.gz JFUPWXFCAQEVKI-UHFFFAOYSA-N 1 0 332.430 -1.228 20 0 EAADRO O=C(CCc1cn[nH]n1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001166953631 793690517 /nfs/dbraw/zinc/69/05/17/793690517.db2.gz OWVKYNZBHNCZNF-ZDUSSCGKSA-N 1 0 338.412 -1.184 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166953792 793690497 /nfs/dbraw/zinc/69/04/97/793690497.db2.gz RSGFRASUHDLEOE-UHFFFAOYSA-N 1 0 326.401 -1.014 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166953986 793690115 /nfs/dbraw/zinc/69/01/15/793690115.db2.gz VTWXKQSZDVARES-CYBMUJFWSA-N 1 0 329.401 -1.143 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166953987 793690835 /nfs/dbraw/zinc/69/08/35/793690835.db2.gz VTWXKQSZDVARES-ZDUSSCGKSA-N 1 0 329.401 -1.143 20 0 EAADRO O=C(CCc1cn[nH]n1)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001166954240 793690679 /nfs/dbraw/zinc/69/06/79/793690679.db2.gz ZWHQTLZCDINLJH-GFCCVEGCSA-N 1 0 338.412 -1.014 20 0 EAADRO O=C(CCc1cn[nH]n1)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001166954242 793689899 /nfs/dbraw/zinc/68/98/99/793689899.db2.gz ZWHQTLZCDINLJH-LBPRGKRZSA-N 1 0 338.412 -1.014 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(OC)nc(S(C)(=O)=O)n1 ZINC001166963021 793690463 /nfs/dbraw/zinc/69/04/63/793690463.db2.gz DPQLHAFAPHCWHW-SFYZADRCSA-N 1 0 330.366 -1.032 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001166966071 793690418 /nfs/dbraw/zinc/69/04/18/793690418.db2.gz BAZFXRYSVUEHGG-MFKMUULPSA-N 1 0 348.407 -1.005 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166969583 793690695 /nfs/dbraw/zinc/69/06/95/793690695.db2.gz XLEFCEPYABMNNX-UHFFFAOYSA-N 1 0 326.401 -1.014 20 0 EAADRO C[C@@H]1C(=O)Nc2cnc(N(C3C[NH2+]C3)S(C)(=O)=O)nc2N1C ZINC001166969755 793689957 /nfs/dbraw/zinc/68/99/57/793689957.db2.gz VFNCQDPDWDIJIY-SSDOTTSWSA-N 1 0 326.382 -1.009 20 0 EAADRO C[C@H]1C(=O)Nc2cnc(N(C3C[NH2+]C3)S(C)(=O)=O)nc2N1C ZINC001166969756 793690098 /nfs/dbraw/zinc/69/00/98/793690098.db2.gz VFNCQDPDWDIJIY-ZETCQYMHSA-N 1 0 326.382 -1.009 20 0 EAADRO COc1cc(N(C2C[NH2+]C2)S(C)(=O)=O)nc(S(C)(=O)=O)n1 ZINC001166969765 793690964 /nfs/dbraw/zinc/69/09/64/793690964.db2.gz WCHGRIUIJUBLND-UHFFFAOYSA-N 1 0 336.395 -1.374 20 0 EAADRO CS(=O)(=O)N(c1cc(N2CCC[C@H]2C(N)=O)ncn1)C1C[NH2+]C1 ZINC001166972029 793691080 /nfs/dbraw/zinc/69/10/80/793691080.db2.gz ORYFTNSJKZNHNZ-JTQLQIEISA-N 1 0 340.409 -1.332 20 0 EAADRO CS(=O)(=O)N(c1cc(N2CCC[C@@H]2C(N)=O)ncn1)C1C[NH2+]C1 ZINC001166972030 793690885 /nfs/dbraw/zinc/69/08/85/793690885.db2.gz ORYFTNSJKZNHNZ-SNVBAGLBSA-N 1 0 340.409 -1.332 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166974303 793690796 /nfs/dbraw/zinc/69/07/96/793690796.db2.gz HXFSUIPGQGCTNN-SECBINFHSA-N 1 0 325.373 -1.323 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166974306 793690995 /nfs/dbraw/zinc/69/09/95/793690995.db2.gz HXFSUIPGQGCTNN-VIFPVBQESA-N 1 0 325.373 -1.323 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)CCc2cn[nH]n2)n(C)c1=O ZINC001166974350 793691049 /nfs/dbraw/zinc/69/10/49/793691049.db2.gz IXQWDRRZPWLKKD-UHFFFAOYSA-N 1 0 349.395 -1.569 20 0 EAADRO CN(c1nc(N2CCOCC2)nc(N2CCOCC2)n1)C1C[NH2+]C1 ZINC001166977338 793690340 /nfs/dbraw/zinc/69/03/40/793690340.db2.gz SSXOKIWLGCWNQI-UHFFFAOYSA-N 1 0 335.412 -1.047 20 0 EAADRO Cn1cc(C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)[nH]c1=O ZINC001167003194 793690073 /nfs/dbraw/zinc/69/00/73/793690073.db2.gz YMVVCQFMYQHZNP-UHFFFAOYSA-N 1 0 338.368 -1.190 20 0 EAADRO Cc1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)ncc1C(N)=O ZINC001167035512 793690379 /nfs/dbraw/zinc/69/03/79/793690379.db2.gz GXBIJPHSBPLWRN-UHFFFAOYSA-N 1 0 336.352 -1.607 20 0 EAADRO Cc1cc(C(=O)NCCC[NH2+]Cc2nnnn2C)ncc1C(N)=O ZINC001167045348 785070175 /nfs/dbraw/zinc/07/01/75/785070175.db2.gz IJEDMYQBFGHWOB-UHFFFAOYSA-N 1 0 332.368 -1.078 20 0 EAADRO C[C@@H]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001167045736 785069284 /nfs/dbraw/zinc/06/92/84/785069284.db2.gz OQOKIVKZZJEISB-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO Cc1cc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)ncc1C(N)=O ZINC001167045966 785069011 /nfs/dbraw/zinc/06/90/11/785069011.db2.gz SGERZQLVWABWLC-UHFFFAOYSA-N 1 0 347.379 -1.180 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001167063908 785078912 /nfs/dbraw/zinc/07/89/12/785078912.db2.gz DXFDLTXXRKBYFY-SECBINFHSA-N 1 0 338.372 -2.084 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001167063909 785078939 /nfs/dbraw/zinc/07/89/39/785078939.db2.gz DXFDLTXXRKBYFY-VIFPVBQESA-N 1 0 338.372 -2.084 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001167063929 785078146 /nfs/dbraw/zinc/07/81/46/785078146.db2.gz FNDMODHFCMSLHC-JTQLQIEISA-N 1 0 334.388 -1.555 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001167063934 785078476 /nfs/dbraw/zinc/07/84/76/785078476.db2.gz FNDMODHFCMSLHC-SNVBAGLBSA-N 1 0 334.388 -1.555 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCc2nnnn2CC1)N1CCC1 ZINC001167063947 785078380 /nfs/dbraw/zinc/07/83/80/785078380.db2.gz FSCJTXVUAGMCLO-GFCCVEGCSA-N 1 0 335.412 -1.046 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCc2nnnn2CC1)N1CCC1 ZINC001167063949 785079014 /nfs/dbraw/zinc/07/90/14/785079014.db2.gz FSCJTXVUAGMCLO-LBPRGKRZSA-N 1 0 335.412 -1.046 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001167064917 785078250 /nfs/dbraw/zinc/07/82/50/785078250.db2.gz MNVKUXTUDZQMJL-LLVKDONJSA-N 1 0 344.441 -1.234 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001167064920 785078599 /nfs/dbraw/zinc/07/85/99/785078599.db2.gz MNVKUXTUDZQMJL-NSHDSACASA-N 1 0 344.441 -1.234 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCc3nnnn3CC2)nc1=O ZINC001167066315 785079417 /nfs/dbraw/zinc/07/94/17/785079417.db2.gz XZHYOZCEFXUIHV-JTQLQIEISA-N 1 0 349.399 -1.657 20 0 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O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCNC(=O)C1 ZINC001167071771 785080936 /nfs/dbraw/zinc/08/09/36/785080936.db2.gz NXYRNDFONGHCGH-UPJWGTAASA-N 1 0 338.408 -1.392 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCc3nnnn3CC2)C1=O ZINC001167071843 785082212 /nfs/dbraw/zinc/08/22/12/785082212.db2.gz OUXMIZNXVNXSOY-NEPJUHHUSA-N 1 0 335.412 -1.048 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCc3nnnn3CC2)C1=O ZINC001167071850 785082671 /nfs/dbraw/zinc/08/26/71/785082671.db2.gz OUXMIZNXVNXSOY-NWDGAFQWSA-N 1 0 335.412 -1.048 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCc3nnnn3CC2)C1=O ZINC001167071851 785082531 /nfs/dbraw/zinc/08/25/31/785082531.db2.gz OUXMIZNXVNXSOY-RYUDHWBXSA-N 1 0 335.412 -1.048 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCc3nnnn3CC2)C1=O ZINC001167071852 785082036 /nfs/dbraw/zinc/08/20/36/785082036.db2.gz OUXMIZNXVNXSOY-VXGBXAGGSA-N 1 0 335.412 -1.048 20 0 EAADRO C[C@@]1(C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CCC(=O)N1 ZINC001167073281 785082366 /nfs/dbraw/zinc/08/23/66/785082366.db2.gz IGVZJXRBYAKYEV-AWEZNQCLSA-N 1 0 339.396 -1.274 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)[C@H]1CCC(=O)N1 ZINC001167078884 785083968 /nfs/dbraw/zinc/08/39/68/785083968.db2.gz LRCQYTNRQWDXHM-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)[C@@H]1CCC(=O)N1 ZINC001167078887 785083594 /nfs/dbraw/zinc/08/35/94/785083594.db2.gz LRCQYTNRQWDXHM-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)[C@H]1CCC(=O)N1 ZINC001167078888 785083141 /nfs/dbraw/zinc/08/31/41/785083141.db2.gz LRCQYTNRQWDXHM-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)[C@@H]1CCC(=O)N1 ZINC001167078889 785083085 /nfs/dbraw/zinc/08/30/85/785083085.db2.gz LRCQYTNRQWDXHM-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001167079000 785083616 /nfs/dbraw/zinc/08/36/16/785083616.db2.gz MGKWFIASADKUFO-NEPJUHHUSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001167079002 785083434 /nfs/dbraw/zinc/08/34/34/785083434.db2.gz MGKWFIASADKUFO-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001167079007 785083005 /nfs/dbraw/zinc/08/30/05/785083005.db2.gz MGKWFIASADKUFO-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001167079009 785083953 /nfs/dbraw/zinc/08/39/53/785083953.db2.gz MGKWFIASADKUFO-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001167079673 785083662 /nfs/dbraw/zinc/08/36/62/785083662.db2.gz VWFKJLWDABMQRD-NXEZZACHSA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001167079675 785083379 /nfs/dbraw/zinc/08/33/79/785083379.db2.gz VWFKJLWDABMQRD-UWVGGRQHSA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001167079676 785083128 /nfs/dbraw/zinc/08/31/28/785083128.db2.gz VWFKJLWDABMQRD-VHSXEESVSA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001167079678 785083799 /nfs/dbraw/zinc/08/37/99/785083799.db2.gz VWFKJLWDABMQRD-ZJUUUORDSA-N 1 0 327.385 -1.547 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001167079854 785083296 /nfs/dbraw/zinc/08/32/96/785083296.db2.gz XCJSZWHVKBYNBT-GHMZBOCLSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001167079860 785083982 /nfs/dbraw/zinc/08/39/82/785083982.db2.gz XCJSZWHVKBYNBT-MNOVXSKESA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001167079861 785083889 /nfs/dbraw/zinc/08/38/89/785083889.db2.gz XCJSZWHVKBYNBT-QWRGUYRKSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001167079862 785084139 /nfs/dbraw/zinc/08/41/39/785084139.db2.gz XCJSZWHVKBYNBT-WDEREUQCSA-N 1 0 341.412 -1.157 20 0 EAADRO [NH3+][C@H]1CN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C[C@H]1O ZINC001167089359 785089682 /nfs/dbraw/zinc/08/96/82/785089682.db2.gz CDDDMSYGIWSIHQ-NWDGAFQWSA-N 1 0 340.405 -1.540 20 0 EAADRO COc1nc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc(N2CCn3ccnc3C2)n1 ZINC001167090159 785088806 /nfs/dbraw/zinc/08/88/06/785088806.db2.gz UZIPFFVOSMHBHV-VHSXEESVSA-N 1 0 332.368 -1.395 20 0 EAADRO [NH3+][C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C[C@H]1O ZINC001167092054 785091860 /nfs/dbraw/zinc/09/18/60/785091860.db2.gz IELRZWWIMZCTLY-NWDGAFQWSA-N 1 0 328.394 -1.389 20 0 EAADRO [NH3+][C@H]1CN(c2ncccc2S(=O)(=O)N2CCOCC2)C[C@H]1O ZINC001167092124 785090487 /nfs/dbraw/zinc/09/04/87/785090487.db2.gz KIDZHPMGEGVBAD-WDEREUQCSA-N 1 0 328.394 -1.389 20 0 EAADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001167092763 785091559 /nfs/dbraw/zinc/09/15/59/785091559.db2.gz QOLQGNHPJDFSRF-NWDGAFQWSA-N 1 0 337.380 -1.002 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](COC)OC)CC1 ZINC001167095059 785094138 /nfs/dbraw/zinc/09/41/38/785094138.db2.gz LXNDQXHYXCWMCV-LLVKDONJSA-N 1 0 344.412 -1.021 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H](COC)OC)CC1 ZINC001167095060 785092637 /nfs/dbraw/zinc/09/26/37/785092637.db2.gz LXNDQXHYXCWMCV-NSHDSACASA-N 1 0 344.412 -1.021 20 0 EAADRO COC[C@H](OC)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167095282 785093391 /nfs/dbraw/zinc/09/33/91/785093391.db2.gz SGSGVHKEDWZHRW-JTQLQIEISA-N 1 0 330.385 -1.281 20 0 EAADRO COC[C@@H](OC)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167095283 785094300 /nfs/dbraw/zinc/09/43/00/785094300.db2.gz SGSGVHKEDWZHRW-SNVBAGLBSA-N 1 0 330.385 -1.281 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001167095699 785092955 /nfs/dbraw/zinc/09/29/55/785092955.db2.gz HKYQWJFJNOQNGE-GHMZBOCLSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001167095700 785092544 /nfs/dbraw/zinc/09/25/44/785092544.db2.gz HKYQWJFJNOQNGE-MNOVXSKESA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001167095701 785094289 /nfs/dbraw/zinc/09/42/89/785094289.db2.gz HKYQWJFJNOQNGE-QWRGUYRKSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001167095702 785093556 /nfs/dbraw/zinc/09/35/56/785093556.db2.gz HKYQWJFJNOQNGE-WDEREUQCSA-N 1 0 334.442 -1.454 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001167095705 785093032 /nfs/dbraw/zinc/09/30/32/785093032.db2.gz HPHXHRKCYMVEKK-NEPJUHHUSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001167095706 785093915 /nfs/dbraw/zinc/09/39/15/785093915.db2.gz HPHXHRKCYMVEKK-NWDGAFQWSA-N 1 0 348.469 -1.064 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001167095707 785093079 /nfs/dbraw/zinc/09/30/79/785093079.db2.gz HPHXHRKCYMVEKK-RYUDHWBXSA-N 1 0 348.469 -1.064 20 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785111164 /nfs/dbraw/zinc/11/11/64/785111164.db2.gz UALNRTJEDSJMLQ-LBPRGKRZSA-N 1 0 335.364 -1.304 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)c2ccnnc2)C1 ZINC001167284204 785111502 /nfs/dbraw/zinc/11/15/02/785111502.db2.gz WTNXHMOBADTZNM-CYBMUJFWSA-N 1 0 348.407 -1.090 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)c2ccnnc2)C1 ZINC001167284205 785111648 /nfs/dbraw/zinc/11/16/48/785111648.db2.gz WTNXHMOBADTZNM-ZDUSSCGKSA-N 1 0 348.407 -1.090 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001167284965 785111035 /nfs/dbraw/zinc/11/10/35/785111035.db2.gz BCHXFBQNUIVVCN-LLVKDONJSA-N 1 0 335.412 -1.013 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001167284966 785111598 /nfs/dbraw/zinc/11/15/98/785111598.db2.gz BCHXFBQNUIVVCN-NSHDSACASA-N 1 0 335.412 -1.013 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1ccnnc1)C(=O)N(C)C ZINC001167286168 785110457 /nfs/dbraw/zinc/11/04/57/785110457.db2.gz PDCUEUHOIZCIEL-LLVKDONJSA-N 1 0 336.396 -1.221 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1ccnnc1)C(=O)N(C)C ZINC001167286174 785111281 /nfs/dbraw/zinc/11/12/81/785111281.db2.gz PDCUEUHOIZCIEL-NSHDSACASA-N 1 0 336.396 -1.221 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1ccnnc1)NCC(=O)N1CCCC1 ZINC001167286648 785111714 /nfs/dbraw/zinc/11/17/14/785111714.db2.gz XONMODVPFZVXAI-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167303279 785113783 /nfs/dbraw/zinc/11/37/83/785113783.db2.gz JBJJAYAZAPDLLH-LLVKDONJSA-N 1 0 341.412 -1.028 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167303280 785113952 /nfs/dbraw/zinc/11/39/52/785113952.db2.gz JBJJAYAZAPDLLH-NSHDSACASA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001167323454 785117417 /nfs/dbraw/zinc/11/74/17/785117417.db2.gz AXLMVRRFXGBOSK-LLVKDONJSA-N 1 0 344.437 -1.081 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001167323455 785117565 /nfs/dbraw/zinc/11/75/65/785117565.db2.gz AXLMVRRFXGBOSK-NSHDSACASA-N 1 0 344.437 -1.081 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001167323526 785117374 /nfs/dbraw/zinc/11/73/74/785117374.db2.gz CQKFYTXAZUYKGN-JTQLQIEISA-N 1 0 346.457 -1.071 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001167323527 785117340 /nfs/dbraw/zinc/11/73/40/785117340.db2.gz CQKFYTXAZUYKGN-SNVBAGLBSA-N 1 0 346.457 -1.071 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167323583 785116320 /nfs/dbraw/zinc/11/63/20/785116320.db2.gz DXWBZAHVWMEVTM-LLVKDONJSA-N 1 0 325.431 -1.317 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167323584 785117541 /nfs/dbraw/zinc/11/75/41/785117541.db2.gz DXWBZAHVWMEVTM-NSHDSACASA-N 1 0 325.431 -1.317 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001167323609 785118883 /nfs/dbraw/zinc/11/88/83/785118883.db2.gz FILRTRQQLMBNBX-JTQLQIEISA-N 1 0 335.430 -1.955 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001167323610 785118413 /nfs/dbraw/zinc/11/84/13/785118413.db2.gz FILRTRQQLMBNBX-SNVBAGLBSA-N 1 0 335.430 -1.955 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001167323627 785118269 /nfs/dbraw/zinc/11/82/69/785118269.db2.gz FQPCKEVWKMQCGF-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001167323628 785118947 /nfs/dbraw/zinc/11/89/47/785118947.db2.gz FQPCKEVWKMQCGF-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)c1nnnn1C ZINC001167323631 785117871 /nfs/dbraw/zinc/11/78/71/785117871.db2.gz FSFMMIFAVNMCPA-BDAKNGLRSA-N 1 0 333.418 -1.695 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001167323632 785118802 /nfs/dbraw/zinc/11/88/02/785118802.db2.gz FSFMMIFAVNMCPA-DTWKUNHWSA-N 1 0 333.418 -1.695 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001167323633 785118574 /nfs/dbraw/zinc/11/85/74/785118574.db2.gz FSFMMIFAVNMCPA-IUCAKERBSA-N 1 0 333.418 -1.695 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001167323634 785118483 /nfs/dbraw/zinc/11/84/83/785118483.db2.gz FSFMMIFAVNMCPA-RKDXNWHRSA-N 1 0 333.418 -1.695 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001167323654 785118333 /nfs/dbraw/zinc/11/83/33/785118333.db2.gz GFLOGXVBIUOZKJ-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001167323655 785118355 /nfs/dbraw/zinc/11/83/55/785118355.db2.gz GFLOGXVBIUOZKJ-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001167323659 785118878 /nfs/dbraw/zinc/11/88/78/785118878.db2.gz GIGVMVZWBDEASN-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001167323660 785118256 /nfs/dbraw/zinc/11/82/56/785118256.db2.gz GIGVMVZWBDEASN-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001167323719 785118363 /nfs/dbraw/zinc/11/83/63/785118363.db2.gz IPORCUVKDPNYJD-MRVPVSSYSA-N 1 0 334.402 -2.358 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001167323720 785117981 /nfs/dbraw/zinc/11/79/81/785117981.db2.gz IPORCUVKDPNYJD-QMMMGPOBSA-N 1 0 334.402 -2.358 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001167323767 785118713 /nfs/dbraw/zinc/11/87/13/785118713.db2.gz KJSFFHMCERMBHE-SECBINFHSA-N 1 0 329.444 -1.935 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001167323768 785116911 /nfs/dbraw/zinc/11/69/11/785116911.db2.gz KJSFFHMCERMBHE-VIFPVBQESA-N 1 0 329.444 -1.935 20 0 EAADRO CC(C)n1nnnc1C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167323779 785117937 /nfs/dbraw/zinc/11/79/37/785117937.db2.gz KYUANUZVWVATEZ-JTQLQIEISA-N 1 0 347.445 -1.212 20 0 EAADRO CC(C)n1nnnc1C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167323780 785117927 /nfs/dbraw/zinc/11/79/27/785117927.db2.gz KYUANUZVWVATEZ-SNVBAGLBSA-N 1 0 347.445 -1.212 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001167323781 785118080 /nfs/dbraw/zinc/11/80/80/785118080.db2.gz LAWYOPGPCYAIOL-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001167323782 785118933 /nfs/dbraw/zinc/11/89/33/785118933.db2.gz LAWYOPGPCYAIOL-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001167323806 785118311 /nfs/dbraw/zinc/11/83/11/785118311.db2.gz LPXCFEUJMOFUHB-NEPJUHHUSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001167323807 785118887 /nfs/dbraw/zinc/11/88/87/785118887.db2.gz LPXCFEUJMOFUHB-NWDGAFQWSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001167323808 785118969 /nfs/dbraw/zinc/11/89/69/785118969.db2.gz LPXCFEUJMOFUHB-RYUDHWBXSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001167323809 785118457 /nfs/dbraw/zinc/11/84/57/785118457.db2.gz LPXCFEUJMOFUHB-VXGBXAGGSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167323857 785118791 /nfs/dbraw/zinc/11/87/91/785118791.db2.gz NBDXNONJVBMAKJ-LLVKDONJSA-N 1 0 336.458 -1.113 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167323858 785118600 /nfs/dbraw/zinc/11/86/00/785118600.db2.gz NBDXNONJVBMAKJ-NSHDSACASA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001167323927 785118955 /nfs/dbraw/zinc/11/89/55/785118955.db2.gz PHELGICEHXZSKM-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001167323928 785118923 /nfs/dbraw/zinc/11/89/23/785118923.db2.gz PHELGICEHXZSKM-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001167324023 785118941 /nfs/dbraw/zinc/11/89/41/785118941.db2.gz SCSVTGHTESZORQ-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001167324024 785118017 /nfs/dbraw/zinc/11/80/17/785118017.db2.gz SCSVTGHTESZORQ-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001167324027 785118677 /nfs/dbraw/zinc/11/86/77/785118677.db2.gz SGCAZNXYVOPMNF-JTQLQIEISA-N 1 0 332.430 -1.168 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001167324028 785118996 /nfs/dbraw/zinc/11/89/96/785118996.db2.gz SGCAZNXYVOPMNF-SNVBAGLBSA-N 1 0 332.430 -1.168 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167324031 785118066 /nfs/dbraw/zinc/11/80/66/785118066.db2.gz SISHIBRDNFNULU-JTQLQIEISA-N 1 0 332.430 -1.168 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167324032 785118234 /nfs/dbraw/zinc/11/82/34/785118234.db2.gz SISHIBRDNFNULU-SNVBAGLBSA-N 1 0 332.430 -1.168 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001167324073 785118919 /nfs/dbraw/zinc/11/89/19/785118919.db2.gz UVLYRESKSAAYKY-LLVKDONJSA-N 1 0 331.442 -1.004 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001167324074 785118840 /nfs/dbraw/zinc/11/88/40/785118840.db2.gz UVLYRESKSAAYKY-NSHDSACASA-N 1 0 331.442 -1.004 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001167324077 785118756 /nfs/dbraw/zinc/11/87/56/785118756.db2.gz VAQYDTNAOBVUDJ-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001167324078 785118115 /nfs/dbraw/zinc/11/81/15/785118115.db2.gz VAQYDTNAOBVUDJ-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001167324079 785118450 /nfs/dbraw/zinc/11/84/50/785118450.db2.gz VAQYDTNAOBVUDJ-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001167324080 785118518 /nfs/dbraw/zinc/11/85/18/785118518.db2.gz VAQYDTNAOBVUDJ-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167324133 785118057 /nfs/dbraw/zinc/11/80/57/785118057.db2.gz WSCJIYDMFFTDPL-MRVPVSSYSA-N 1 0 337.402 -2.524 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167324134 785117950 /nfs/dbraw/zinc/11/79/50/785117950.db2.gz WSCJIYDMFFTDPL-QMMMGPOBSA-N 1 0 337.402 -2.524 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)n1C ZINC001167324139 785118908 /nfs/dbraw/zinc/11/89/08/785118908.db2.gz WSUMKXJHLDTIJQ-JTQLQIEISA-N 1 0 346.457 -1.089 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1C ZINC001167324140 785117898 /nfs/dbraw/zinc/11/78/98/785117898.db2.gz WSUMKXJHLDTIJQ-SNVBAGLBSA-N 1 0 346.457 -1.089 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167324159 785118866 /nfs/dbraw/zinc/11/88/66/785118866.db2.gz XBUOSIBQVBFDIZ-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167324160 785118833 /nfs/dbraw/zinc/11/88/33/785118833.db2.gz XBUOSIBQVBFDIZ-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167324185 785118285 /nfs/dbraw/zinc/11/82/85/785118285.db2.gz XQKGCMFCGZXDRJ-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167324186 785118197 /nfs/dbraw/zinc/11/81/97/785118197.db2.gz XQKGCMFCGZXDRJ-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001167324199 785118166 /nfs/dbraw/zinc/11/81/66/785118166.db2.gz YAISKLZIXNDMDO-BDAKNGLRSA-N 1 0 334.398 -2.175 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001167324200 785118474 /nfs/dbraw/zinc/11/84/74/785118474.db2.gz YAISKLZIXNDMDO-DTWKUNHWSA-N 1 0 334.398 -2.175 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001167324201 785118873 /nfs/dbraw/zinc/11/88/73/785118873.db2.gz YAISKLZIXNDMDO-IUCAKERBSA-N 1 0 334.398 -2.175 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001167324202 785118156 /nfs/dbraw/zinc/11/81/56/785118156.db2.gz YAISKLZIXNDMDO-RKDXNWHRSA-N 1 0 334.398 -2.175 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001167324203 785118549 /nfs/dbraw/zinc/11/85/49/785118549.db2.gz YAROGCIJPSYZKD-SECBINFHSA-N 1 0 345.429 -1.458 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001167324204 785118425 /nfs/dbraw/zinc/11/84/25/785118425.db2.gz YAROGCIJPSYZKD-VIFPVBQESA-N 1 0 345.429 -1.458 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCc1ccnn1C ZINC001167324208 785118144 /nfs/dbraw/zinc/11/81/44/785118144.db2.gz YIQSDIJYVSSSRZ-LLVKDONJSA-N 1 0 331.442 -1.004 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCc1ccnn1C ZINC001167324209 785118586 /nfs/dbraw/zinc/11/85/86/785118586.db2.gz YIQSDIJYVSSSRZ-NSHDSACASA-N 1 0 331.442 -1.004 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167324231 785118977 /nfs/dbraw/zinc/11/89/77/785118977.db2.gz ZBSGDZMREVJQON-JTQLQIEISA-N 1 0 332.430 -1.168 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167324232 785118027 /nfs/dbraw/zinc/11/80/27/785118027.db2.gz ZBSGDZMREVJQON-SNVBAGLBSA-N 1 0 332.430 -1.168 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167324241 785118339 /nfs/dbraw/zinc/11/83/39/785118339.db2.gz ZOUICWHJDKHBCT-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167324242 785118594 /nfs/dbraw/zinc/11/85/94/785118594.db2.gz ZOUICWHJDKHBCT-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167324243 785118466 /nfs/dbraw/zinc/11/84/66/785118466.db2.gz ZOUICWHJDKHBCT-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167324244 785118442 /nfs/dbraw/zinc/11/84/42/785118442.db2.gz ZOUICWHJDKHBCT-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H](C)c1nncn1C ZINC001167324247 785118690 /nfs/dbraw/zinc/11/86/90/785118690.db2.gz ZSFUMWYELWYUKN-NXEZZACHSA-N 1 0 332.430 -1.090 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001167324248 785118539 /nfs/dbraw/zinc/11/85/39/785118539.db2.gz ZSFUMWYELWYUKN-UWVGGRQHSA-N 1 0 332.430 -1.090 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001167324249 785117882 /nfs/dbraw/zinc/11/78/82/785117882.db2.gz ZSFUMWYELWYUKN-VHSXEESVSA-N 1 0 332.430 -1.090 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)c1nncn1C ZINC001167324250 785118294 /nfs/dbraw/zinc/11/82/94/785118294.db2.gz ZSFUMWYELWYUKN-ZJUUUORDSA-N 1 0 332.430 -1.090 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001167327011 785119595 /nfs/dbraw/zinc/11/95/95/785119595.db2.gz APADTGIXBPBNTD-SECBINFHSA-N 1 0 347.397 -1.353 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001167327012 785119951 /nfs/dbraw/zinc/11/99/51/785119951.db2.gz APADTGIXBPBNTD-VIFPVBQESA-N 1 0 347.397 -1.353 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001167327077 785119630 /nfs/dbraw/zinc/11/96/30/785119630.db2.gz CCNCICIEQMOGQE-GHMZBOCLSA-N 1 0 344.441 -1.201 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001167327078 785120266 /nfs/dbraw/zinc/12/02/66/785120266.db2.gz CCNCICIEQMOGQE-MNOVXSKESA-N 1 0 344.441 -1.201 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001167327079 785120013 /nfs/dbraw/zinc/12/00/13/785120013.db2.gz CCNCICIEQMOGQE-QWRGUYRKSA-N 1 0 344.441 -1.201 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001167327080 785119997 /nfs/dbraw/zinc/11/99/97/785119997.db2.gz CCNCICIEQMOGQE-WDEREUQCSA-N 1 0 344.441 -1.201 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001167327210 785120300 /nfs/dbraw/zinc/12/03/00/785120300.db2.gz HFIVTKWQTPJCRL-SECBINFHSA-N 1 0 344.459 -2.431 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001167327211 785119586 /nfs/dbraw/zinc/11/95/86/785119586.db2.gz HFIVTKWQTPJCRL-VIFPVBQESA-N 1 0 344.459 -2.431 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001167327227 785120130 /nfs/dbraw/zinc/12/01/30/785120130.db2.gz HMSAPNSAKHTKCR-NEPJUHHUSA-N 1 0 347.441 -1.722 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001167327228 785119470 /nfs/dbraw/zinc/11/94/70/785119470.db2.gz HMSAPNSAKHTKCR-NWDGAFQWSA-N 1 0 347.441 -1.722 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001167327229 785119578 /nfs/dbraw/zinc/11/95/78/785119578.db2.gz HMSAPNSAKHTKCR-RYUDHWBXSA-N 1 0 347.441 -1.722 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001167327230 785119526 /nfs/dbraw/zinc/11/95/26/785119526.db2.gz HMSAPNSAKHTKCR-VXGBXAGGSA-N 1 0 347.441 -1.722 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001167327329 785120181 /nfs/dbraw/zinc/12/01/81/785120181.db2.gz LBJFLTCELQRUQV-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001167327330 785119379 /nfs/dbraw/zinc/11/93/79/785119379.db2.gz LBJFLTCELQRUQV-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001167327346 785120461 /nfs/dbraw/zinc/12/04/61/785120461.db2.gz LNBCBBFZHKWGPG-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001167327347 785119972 /nfs/dbraw/zinc/11/99/72/785119972.db2.gz LNBCBBFZHKWGPG-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001167327575 785120528 /nfs/dbraw/zinc/12/05/28/785120528.db2.gz OCEPALCSCWVZNO-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001167327624 785119418 /nfs/dbraw/zinc/11/94/18/785119418.db2.gz OCEPALCSCWVZNO-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167327674 785120228 /nfs/dbraw/zinc/12/02/28/785120228.db2.gz PDJALTCCTCAXGJ-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167327675 785119749 /nfs/dbraw/zinc/11/97/49/785119749.db2.gz PDJALTCCTCAXGJ-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167327676 785120004 /nfs/dbraw/zinc/12/00/04/785120004.db2.gz PDJALTCCTCAXGJ-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167327677 785119930 /nfs/dbraw/zinc/11/99/30/785119930.db2.gz PDJALTCCTCAXGJ-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001167327848 785119817 /nfs/dbraw/zinc/11/98/17/785119817.db2.gz QXAAKMOBQKQITG-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001167327849 785119982 /nfs/dbraw/zinc/11/99/82/785119982.db2.gz QXAAKMOBQKQITG-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001167327850 785119713 /nfs/dbraw/zinc/11/97/13/785119713.db2.gz QXAAKMOBQKQITG-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001167327851 785119777 /nfs/dbraw/zinc/11/97/77/785119777.db2.gz QXAAKMOBQKQITG-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001167328021 785120316 /nfs/dbraw/zinc/12/03/16/785120316.db2.gz TVCGXXDYSGYFSB-GHMZBOCLSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 ZINC001167328022 785119808 /nfs/dbraw/zinc/11/98/08/785119808.db2.gz TVCGXXDYSGYFSB-MNOVXSKESA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001167328023 785119920 /nfs/dbraw/zinc/11/99/20/785119920.db2.gz TVCGXXDYSGYFSB-QWRGUYRKSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001167328024 785119827 /nfs/dbraw/zinc/11/98/27/785119827.db2.gz TVCGXXDYSGYFSB-WDEREUQCSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001167328174 785120233 /nfs/dbraw/zinc/12/02/33/785120233.db2.gz VLGPQNQVLWCICA-JTQLQIEISA-N 1 0 348.425 -1.831 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001167328175 785119642 /nfs/dbraw/zinc/11/96/42/785119642.db2.gz VLGPQNQVLWCICA-SNVBAGLBSA-N 1 0 348.425 -1.831 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001167328223 785119700 /nfs/dbraw/zinc/11/97/00/785119700.db2.gz WTKKDTSPCWCPPK-HTQZYQBOSA-N 1 0 337.402 -2.397 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001167328224 785119622 /nfs/dbraw/zinc/11/96/22/785119622.db2.gz WTKKDTSPCWCPPK-JGVFFNPUSA-N 1 0 337.402 -2.397 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)C(=O)NC(N)=O ZINC001167328225 785119729 /nfs/dbraw/zinc/11/97/29/785119729.db2.gz WTKKDTSPCWCPPK-SFYZADRCSA-N 1 0 337.402 -2.397 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001167328226 785120391 /nfs/dbraw/zinc/12/03/91/785120391.db2.gz WTKKDTSPCWCPPK-YUMQZZPRSA-N 1 0 337.402 -2.397 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001167328233 785119963 /nfs/dbraw/zinc/11/99/63/785119963.db2.gz WWNXEPNOZTXXLM-JTQLQIEISA-N 1 0 343.471 -1.545 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001167328234 785120079 /nfs/dbraw/zinc/12/00/79/785120079.db2.gz WWNXEPNOZTXXLM-SNVBAGLBSA-N 1 0 343.471 -1.545 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001167328267 785119877 /nfs/dbraw/zinc/11/98/77/785119877.db2.gz XWOUXOBTJCNLJT-NXEZZACHSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001167328268 785119391 /nfs/dbraw/zinc/11/93/91/785119391.db2.gz XWOUXOBTJCNLJT-UWVGGRQHSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001167328269 785119991 /nfs/dbraw/zinc/11/99/91/785119991.db2.gz XWOUXOBTJCNLJT-VHSXEESVSA-N 1 0 334.442 -1.313 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)C(=O)NC1CC1 ZINC001167328270 785120241 /nfs/dbraw/zinc/12/02/41/785120241.db2.gz XWOUXOBTJCNLJT-ZJUUUORDSA-N 1 0 334.442 -1.313 20 0 EAADRO CCCn1nnnc1C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167328289 785119844 /nfs/dbraw/zinc/11/98/44/785119844.db2.gz YQOIZYMEFRRQMS-JTQLQIEISA-N 1 0 347.445 -1.383 20 0 EAADRO CCCn1nnnc1C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167328290 785119606 /nfs/dbraw/zinc/11/96/06/785119606.db2.gz YQOIZYMEFRRQMS-SNVBAGLBSA-N 1 0 347.445 -1.383 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)nn1 ZINC001167328330 785119530 /nfs/dbraw/zinc/11/95/30/785119530.db2.gz ZSIIYVAXZYCEIP-JTQLQIEISA-N 1 0 332.430 -1.168 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)nn1 ZINC001167328331 785120361 /nfs/dbraw/zinc/12/03/61/785120361.db2.gz ZSIIYVAXZYCEIP-SNVBAGLBSA-N 1 0 332.430 -1.168 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167328343 785119616 /nfs/dbraw/zinc/11/96/16/785119616.db2.gz ZZHJBWIUYLYTIC-LLVKDONJSA-N 1 0 336.458 -1.208 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167328344 785119458 /nfs/dbraw/zinc/11/94/58/785119458.db2.gz ZZHJBWIUYLYTIC-NSHDSACASA-N 1 0 336.458 -1.208 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001167328394 785119784 /nfs/dbraw/zinc/11/97/84/785119784.db2.gz CFHDAIPGVIIACC-NXEZZACHSA-N 1 0 334.442 -1.326 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001167328395 785119868 /nfs/dbraw/zinc/11/98/68/785119868.db2.gz CFHDAIPGVIIACC-UWVGGRQHSA-N 1 0 334.442 -1.326 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001167328396 785120070 /nfs/dbraw/zinc/12/00/70/785120070.db2.gz CFHDAIPGVIIACC-VHSXEESVSA-N 1 0 334.442 -1.326 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1)C(N)=O ZINC001167328397 785120248 /nfs/dbraw/zinc/12/02/48/785120248.db2.gz CFHDAIPGVIIACC-ZJUUUORDSA-N 1 0 334.442 -1.326 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167328506 785119492 /nfs/dbraw/zinc/11/94/92/785119492.db2.gz HVEWRVHCUNOCEG-GHMZBOCLSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001167328507 785120194 /nfs/dbraw/zinc/12/01/94/785120194.db2.gz HVEWRVHCUNOCEG-MNOVXSKESA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001167328508 785120381 /nfs/dbraw/zinc/12/03/81/785120381.db2.gz HVEWRVHCUNOCEG-QWRGUYRKSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167328509 785119664 /nfs/dbraw/zinc/11/96/64/785119664.db2.gz HVEWRVHCUNOCEG-WDEREUQCSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001167328620 785119479 /nfs/dbraw/zinc/11/94/79/785119479.db2.gz MOFOXATWGTUBCE-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001167328621 785119743 /nfs/dbraw/zinc/11/97/43/785119743.db2.gz MOFOXATWGTUBCE-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001167328724 785120064 /nfs/dbraw/zinc/12/00/64/785120064.db2.gz QYBWCUJHFDNOTB-GHMZBOCLSA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001167328725 785119565 /nfs/dbraw/zinc/11/95/65/785119565.db2.gz QYBWCUJHFDNOTB-MNOVXSKESA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001167328726 785119832 /nfs/dbraw/zinc/11/98/32/785119832.db2.gz QYBWCUJHFDNOTB-QWRGUYRKSA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001167328727 785120174 /nfs/dbraw/zinc/12/01/74/785120174.db2.gz QYBWCUJHFDNOTB-WDEREUQCSA-N 1 0 348.469 -1.065 20 0 EAADRO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001167328812 785120049 /nfs/dbraw/zinc/12/00/49/785120049.db2.gz VOOLOWDJFJYJOI-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001167328813 785120419 /nfs/dbraw/zinc/12/04/19/785120419.db2.gz VOOLOWDJFJYJOI-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001167328863 785119550 /nfs/dbraw/zinc/11/95/50/785119550.db2.gz XEPCRMRXOVCFBB-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001167328864 785120137 /nfs/dbraw/zinc/12/01/37/785120137.db2.gz XEPCRMRXOVCFBB-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO Cc1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)c(=O)[nH]1 ZINC001167330701 785121885 /nfs/dbraw/zinc/12/18/85/785121885.db2.gz CQVQLKFUXKFNJW-UHFFFAOYSA-N 1 0 349.391 -1.236 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1C(=O)Cc2ccccc21 ZINC001167331104 785121724 /nfs/dbraw/zinc/12/17/24/785121724.db2.gz SAEXWFJHGSJNBK-UHFFFAOYSA-N 1 0 347.375 -1.134 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167343710 785123542 /nfs/dbraw/zinc/12/35/42/785123542.db2.gz SHGNMVDUWWBQPS-VIFPVBQESA-N 1 0 325.369 -1.793 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167344775 785122531 /nfs/dbraw/zinc/12/25/31/785122531.db2.gz BSDLMIWECPKRNF-UWVGGRQHSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167344776 785123435 /nfs/dbraw/zinc/12/34/35/785123435.db2.gz BSDLMIWECPKRNF-ZJUUUORDSA-N 1 0 339.396 -1.405 20 0 EAADRO Cn1ncnc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167344790 785123699 /nfs/dbraw/zinc/12/36/99/785123699.db2.gz CKYKHLWJLNPZQG-JTQLQIEISA-N 1 0 349.395 -1.211 20 0 EAADRO Cn1ncc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)n1 ZINC001167345084 785122577 /nfs/dbraw/zinc/12/25/77/785122577.db2.gz HIOKQJLUUIPGQJ-NSHDSACASA-N 1 0 349.395 -1.211 20 0 EAADRO Cn1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)nn1 ZINC001167345281 785123288 /nfs/dbraw/zinc/12/32/88/785123288.db2.gz LMLINKYVNZMVKA-NSHDSACASA-N 1 0 349.395 -1.211 20 0 EAADRO CC[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)C(N)=O ZINC001167345286 785122763 /nfs/dbraw/zinc/12/27/63/785122763.db2.gz LVXHYPNHPIPUGF-UWVGGRQHSA-N 1 0 339.396 -1.276 20 0 EAADRO CC[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)C(N)=O ZINC001167345287 785122924 /nfs/dbraw/zinc/12/29/24/785122924.db2.gz LVXHYPNHPIPUGF-ZJUUUORDSA-N 1 0 339.396 -1.276 20 0 EAADRO O=C(NCCC1(C[NH2+]CCn2cncn2)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001167345312 785122784 /nfs/dbraw/zinc/12/27/84/785122784.db2.gz NGFYVOOEGDDWBU-NSHDSACASA-N 1 0 349.395 -1.248 20 0 EAADRO COC[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167345330 785123712 /nfs/dbraw/zinc/12/37/12/785123712.db2.gz NXUQYOXDJPDSEH-MNOVXSKESA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167345331 785124180 /nfs/dbraw/zinc/12/41/80/785124180.db2.gz NXUQYOXDJPDSEH-QWRGUYRKSA-N 1 0 342.396 -1.532 20 0 EAADRO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167345335 785125104 /nfs/dbraw/zinc/12/51/04/785125104.db2.gz OFCATYGGMWRQIL-JTQLQIEISA-N 1 0 339.396 -1.403 20 0 EAADRO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167345534 785124557 /nfs/dbraw/zinc/12/45/57/785124557.db2.gz STUNKSQAIPLLMN-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001167345535 785125112 /nfs/dbraw/zinc/12/51/12/785125112.db2.gz SUSLOTJWHSHBOK-UWVGGRQHSA-N 1 0 337.380 -1.651 20 0 EAADRO O=C(NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001167345536 785125229 /nfs/dbraw/zinc/12/52/29/785125229.db2.gz SUSLOTJWHSHBOK-ZJUUUORDSA-N 1 0 337.380 -1.651 20 0 EAADRO Cn1cnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167345647 785125119 /nfs/dbraw/zinc/12/51/19/785125119.db2.gz UFORZHQBUQPHJS-JTQLQIEISA-N 1 0 349.395 -1.211 20 0 EAADRO O=C(NCCC1(C[NH2+]CCOCCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001167345686 785124807 /nfs/dbraw/zinc/12/48/07/785124807.db2.gz WGRSWLPJJJEDRC-NSHDSACASA-N 1 0 342.396 -1.531 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)C(N)=O ZINC001167345696 785125219 /nfs/dbraw/zinc/12/52/19/785125219.db2.gz WZMBTYPQXXWZQS-BDAKNGLRSA-N 1 0 325.369 -1.666 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)C(N)=O ZINC001167345697 785125158 /nfs/dbraw/zinc/12/51/58/785125158.db2.gz WZMBTYPQXXWZQS-IUCAKERBSA-N 1 0 325.369 -1.666 20 0 EAADRO Cn1nncc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001167345702 785124615 /nfs/dbraw/zinc/12/46/15/785124615.db2.gz XCLSZHUJHXQULV-NSHDSACASA-N 1 0 349.395 -1.211 20 0 EAADRO O=C(Cc1c[nH]cn1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001167349546 785124362 /nfs/dbraw/zinc/12/43/62/785124362.db2.gz AMOGSNBITZOWKL-GFCCVEGCSA-N 1 0 337.380 -1.442 20 0 EAADRO O=C(Cc1c[nH]cn1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001167349547 785124841 /nfs/dbraw/zinc/12/48/41/785124841.db2.gz AMOGSNBITZOWKL-LBPRGKRZSA-N 1 0 337.380 -1.442 20 0 EAADRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cc2c[nH]cn2)n(C)c1=O ZINC001167349934 785124567 /nfs/dbraw/zinc/12/45/67/785124567.db2.gz MDEVJSOUTLYMBA-UHFFFAOYSA-N 1 0 334.380 -1.354 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001167350227 785126861 /nfs/dbraw/zinc/12/68/61/785126861.db2.gz QSVWQPQVURSMCV-LLVKDONJSA-N 1 0 338.412 -1.359 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001167350228 785125915 /nfs/dbraw/zinc/12/59/15/785125915.db2.gz QSVWQPQVURSMCV-NSHDSACASA-N 1 0 338.412 -1.359 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167351478 785126914 /nfs/dbraw/zinc/12/69/14/785126914.db2.gz BHRDOPRPZFONJG-UHFFFAOYSA-N 1 0 335.430 -2.256 20 0 EAADRO C[C@@H](O)C[NH2+]CC1(CCNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001167351831 785126775 /nfs/dbraw/zinc/12/67/75/785126775.db2.gz OMLOYNZJOUPFTP-LLVKDONJSA-N 1 0 336.458 -1.361 20 0 EAADRO C[C@H](O)C[NH2+]CC1(CCNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001167351832 785126100 /nfs/dbraw/zinc/12/61/00/785126100.db2.gz OMLOYNZJOUPFTP-NSHDSACASA-N 1 0 336.458 -1.361 20 0 EAADRO COCC[NH2+]CC1(CCNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001167351951 785125724 /nfs/dbraw/zinc/12/57/24/785125724.db2.gz UKJOTBSSSSVLMQ-UHFFFAOYSA-N 1 0 336.458 -1.095 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001167352006 785126438 /nfs/dbraw/zinc/12/64/38/785126438.db2.gz WJUHCYVYGGQYGY-UHFFFAOYSA-N 1 0 349.457 -1.996 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)CNS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001167352014 785126650 /nfs/dbraw/zinc/12/66/50/785126650.db2.gz WWRPMOIYCYDCIV-JTQLQIEISA-N 1 0 349.457 -1.868 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)CNS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001167352015 785126411 /nfs/dbraw/zinc/12/64/11/785126411.db2.gz WWRPMOIYCYDCIV-SNVBAGLBSA-N 1 0 349.457 -1.868 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC1(C[NH2+]CCCO)CC1 ZINC001167352041 785126191 /nfs/dbraw/zinc/12/61/91/785126191.db2.gz YFURTXMSYZIKAZ-UHFFFAOYSA-N 1 0 336.458 -1.359 20 0 EAADRO Cn1cc(C(=O)NCCC2(C[NH2+]CCCO)CC2)c(=O)n(C)c1=O ZINC001167370109 785127833 /nfs/dbraw/zinc/12/78/33/785127833.db2.gz FPTHIKOJERBJKU-UHFFFAOYSA-N 1 0 338.408 -1.044 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167370477 785128230 /nfs/dbraw/zinc/12/82/30/785128230.db2.gz PDNXADMRSINXAG-UHFFFAOYSA-N 1 0 334.380 -1.241 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001167370539 785127492 /nfs/dbraw/zinc/12/74/92/785127492.db2.gz RQZNXFKYGFMDRR-UHFFFAOYSA-N 1 0 347.379 -1.748 20 0 EAADRO Cn1cc(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)c(=O)n(C)c1=O ZINC001167370765 785128176 /nfs/dbraw/zinc/12/81/76/785128176.db2.gz YDXRSBHRQHMURW-UHFFFAOYSA-N 1 0 337.380 -1.941 20 0 EAADRO C[C@@H](O)C[NH2+]CC1(CCNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001167370786 785128348 /nfs/dbraw/zinc/12/83/48/785128348.db2.gz YXGHFJOHQQRNHB-LLVKDONJSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@H](O)C[NH2+]CC1(CCNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001167370787 785127937 /nfs/dbraw/zinc/12/79/37/785127937.db2.gz YXGHFJOHQQRNHB-NSHDSACASA-N 1 0 338.408 -1.046 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)NCCC2(C[NH2+]CCO)CC2)C1=O ZINC001167376418 785127898 /nfs/dbraw/zinc/12/78/98/785127898.db2.gz BWMMQOYICHBYEY-UHFFFAOYSA-N 1 0 326.353 -1.725 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)NCCC2(C[NH2+]CCCO)CC2)C1=O ZINC001167376432 785127693 /nfs/dbraw/zinc/12/76/93/785127693.db2.gz CMJUURMIXRVPTI-UHFFFAOYSA-N 1 0 340.380 -1.335 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1=O ZINC001167376441 785128220 /nfs/dbraw/zinc/12/82/20/785128220.db2.gz CVYPSAZSHYFPNE-UHFFFAOYSA-N 1 0 339.352 -2.232 20 0 EAADRO COCC[NH2+]CC1(CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 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EAADRO O=C(NCCC[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388389 785130889 /nfs/dbraw/zinc/13/08/89/785130889.db2.gz NAMSWSZJNOTXIY-YUMQZZPRSA-N 1 0 340.302 -1.006 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388395 785131428 /nfs/dbraw/zinc/13/14/28/785131428.db2.gz NKQOQWNTDKRBCV-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388396 785131453 /nfs/dbraw/zinc/13/14/53/785131453.db2.gz NKQOQWNTDKRBCV-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388405 785130995 /nfs/dbraw/zinc/13/09/95/785130995.db2.gz NUTKDPAYQDURJR-NSHDSACASA-N 1 0 343.384 -2.167 20 0 EAADRO O=C(NCCC[NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388414 785130703 /nfs/dbraw/zinc/13/07/03/785130703.db2.gz OQIUGOAMZPIYFD-VIFPVBQESA-N 1 0 335.368 -1.124 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388421 785130657 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333.414 -1.025 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001167421716 785136115 /nfs/dbraw/zinc/13/61/15/785136115.db2.gz CPBMSIUOGARULY-UHFFFAOYSA-N 1 0 335.430 -2.289 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001167421722 785136271 /nfs/dbraw/zinc/13/62/71/785136271.db2.gz CWMRHSAQSDMKKY-GFCCVEGCSA-N 1 0 336.458 -1.095 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001167421723 785135803 /nfs/dbraw/zinc/13/58/03/785135803.db2.gz CWMRHSAQSDMKKY-LBPRGKRZSA-N 1 0 336.458 -1.095 20 0 EAADRO Cc1ncoc1C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421734 785135469 /nfs/dbraw/zinc/13/54/69/785135469.db2.gz DIYCADHIOKSQKB-UHFFFAOYSA-N 1 0 333.414 -1.025 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001167421737 785136189 /nfs/dbraw/zinc/13/61/89/785136189.db2.gz DLNMTUGXRXAQAM-UHFFFAOYSA-N 1 0 334.406 -2.798 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001167421743 785136063 /nfs/dbraw/zinc/13/60/63/785136063.db2.gz 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785136376 /nfs/dbraw/zinc/13/63/76/785136376.db2.gz GBIWEZRIHMTYOP-SNVBAGLBSA-N 1 0 347.445 -1.632 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001167421773 785136365 /nfs/dbraw/zinc/13/63/65/785136365.db2.gz GDRLGNWOJBECRT-GFCCVEGCSA-N 1 0 336.458 -1.095 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001167421774 785135342 /nfs/dbraw/zinc/13/53/42/785135342.db2.gz GDRLGNWOJBECRT-LBPRGKRZSA-N 1 0 336.458 -1.095 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421784 785135824 /nfs/dbraw/zinc/13/58/24/785135824.db2.gz GUFBXVBLEANZSO-JTQLQIEISA-N 1 0 326.419 -2.514 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421785 785135935 /nfs/dbraw/zinc/13/59/35/785135935.db2.gz GUFBXVBLEANZSO-SNVBAGLBSA-N 1 0 326.419 -2.514 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001167421787 785135482 /nfs/dbraw/zinc/13/54/82/785135482.db2.gz GZUWEFINMRJOGX-UHFFFAOYSA-N 1 0 335.430 -2.243 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421788 785135646 /nfs/dbraw/zinc/13/56/46/785135646.db2.gz HBTGMKMXTVKKGJ-UHFFFAOYSA-N 1 0 346.457 -1.280 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cncn1C ZINC001167421800 785136077 /nfs/dbraw/zinc/13/60/77/785136077.db2.gz HHDRCXZFFDNRNE-UHFFFAOYSA-N 1 0 332.430 -1.588 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001167421801 785135894 /nfs/dbraw/zinc/13/58/94/785135894.db2.gz HIBHSMJNAAKUFA-UHFFFAOYSA-N 1 0 333.418 -2.193 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001167421802 785135388 /nfs/dbraw/zinc/13/53/88/785135388.db2.gz HKNIMAQEGRXVOG-UHFFFAOYSA-N 1 0 349.457 -1.899 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C)ncn1 ZINC001167421805 785135980 /nfs/dbraw/zinc/13/59/80/785135980.db2.gz HPWIDJZHQKMVHP-UHFFFAOYSA-N 1 0 344.441 -1.223 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccn(C)n1 ZINC001167421808 785137046 /nfs/dbraw/zinc/13/70/46/785137046.db2.gz HRDQTKCUIYEAKJ-UHFFFAOYSA-N 1 0 332.430 -1.588 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001167421815 785137315 /nfs/dbraw/zinc/13/73/15/785137315.db2.gz HZQUZAOFTWGMEX-UHFFFAOYSA-N 1 0 346.457 -1.546 20 0 EAADRO Cc1ncc(C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C)o1 ZINC001167421824 785137243 /nfs/dbraw/zinc/13/72/43/785137243.db2.gz IJJPXFGMKHDBJE-UHFFFAOYSA-N 1 0 333.414 -1.025 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C)nn1 ZINC001167421826 785136899 /nfs/dbraw/zinc/13/68/99/785136899.db2.gz IPBMWJGVEBNZSC-UHFFFAOYSA-N 1 0 347.445 -1.710 20 0 EAADRO Cc1conc1C[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421831 785137060 /nfs/dbraw/zinc/13/70/60/785137060.db2.gz ITYXDODKMLXFCB-UHFFFAOYSA-N 1 0 333.414 -1.025 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]Cc1ccnn1C ZINC001167421838 785137334 /nfs/dbraw/zinc/13/73/34/785137334.db2.gz JEPFVLZOZHAZDM-UHFFFAOYSA-N 1 0 332.430 -1.588 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001167421840 785136962 /nfs/dbraw/zinc/13/69/62/785136962.db2.gz 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O=C(NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)C1CC(=O)NC(=O)C1 ZINC001167450711 785145924 /nfs/dbraw/zinc/14/59/24/785145924.db2.gz NDWUOWWPRLIHHC-NSHDSACASA-N 1 0 336.392 -1.196 20 0 EAADRO Cn1ncc(C(=O)NCCC2(C[NH2+]CCNS(C)(=O)=O)CC2)n1 ZINC001167450726 785145884 /nfs/dbraw/zinc/14/58/84/785145884.db2.gz NRZBXUSCPPPYOD-UHFFFAOYSA-N 1 0 344.441 -1.146 20 0 EAADRO COC[C@H](O)C[NH2+]CC1(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001167450776 785146366 /nfs/dbraw/zinc/14/63/66/785146366.db2.gz QOXNLUAJYDCYQJ-GFCCVEGCSA-N 1 0 341.408 -1.077 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001167450777 785146198 /nfs/dbraw/zinc/14/61/98/785146198.db2.gz QOXNLUAJYDCYQJ-LBPRGKRZSA-N 1 0 341.408 -1.077 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)c2cnn(C)n2)CC1)C(=O)NC(N)=O ZINC001167450797 785146594 /nfs/dbraw/zinc/14/65/94/785146594.db2.gz RRDJDTXYMGHJDH-SECBINFHSA-N 1 0 337.384 -1.112 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)c2cnn(C)n2)CC1)C(=O)NC(N)=O ZINC001167450798 785146566 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Cc1cnc2c(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cnn2c1 ZINC001167455235 785148802 /nfs/dbraw/zinc/14/88/02/785148802.db2.gz ROHREINARXBAQX-UHFFFAOYSA-N 1 0 333.352 -1.058 20 0 EAADRO Cc1ccn(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)c(=O)c1 ZINC001167456476 785149990 /nfs/dbraw/zinc/14/99/90/785149990.db2.gz AJIBBHBRJQMBPY-LLVKDONJSA-N 1 0 337.380 -1.164 20 0 EAADRO Cc1ccn(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)c(=O)c1 ZINC001167456477 785149594 /nfs/dbraw/zinc/14/95/94/785149594.db2.gz AJIBBHBRJQMBPY-NSHDSACASA-N 1 0 337.380 -1.164 20 0 EAADRO Cc1ccn(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)c(=O)c1 ZINC001167456544 785149649 /nfs/dbraw/zinc/14/96/49/785149649.db2.gz DBKAQDXHPWSGEH-UHFFFAOYSA-N 1 0 349.391 -1.196 20 0 EAADRO Cc1ccn(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)c(=O)c1 ZINC001167457104 785150718 /nfs/dbraw/zinc/15/07/18/785150718.db2.gz RVBYIXKGDHKKTP-UHFFFAOYSA-N 1 0 344.437 -1.198 20 0 EAADRO CCc1oncc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001167462435 785153825 /nfs/dbraw/zinc/15/38/25/785153825.db2.gz 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EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CC(=O)NC2=O)CC1)C(N)=O ZINC001167468899 785156814 /nfs/dbraw/zinc/15/68/14/785156814.db2.gz PBMJBJFIMHTIHY-SECBINFHSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)CN2CC(=O)NC2=O)CC1)C(N)=O ZINC001167468901 785157043 /nfs/dbraw/zinc/15/70/43/785157043.db2.gz PBMJBJFIMHTIHY-VIFPVBQESA-N 1 0 325.369 -1.712 20 0 EAADRO Cn1cnnc1C[NH2+]CC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001167468903 785156770 /nfs/dbraw/zinc/15/67/70/785156770.db2.gz PDCXOXSZBYVEIE-UHFFFAOYSA-N 1 0 349.395 -1.257 20 0 EAADRO COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001167469114 785156252 /nfs/dbraw/zinc/15/62/52/785156252.db2.gz RWRRRVFFSYYPLQ-LLVKDONJSA-N 1 0 342.396 -1.578 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001167469115 785156946 /nfs/dbraw/zinc/15/69/46/785156946.db2.gz RWRRRVFFSYYPLQ-NSHDSACASA-N 1 0 342.396 -1.578 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001167469136 785155334 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O=C(COC1CCOCC1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001167524626 785188234 /nfs/dbraw/zinc/18/82/34/785188234.db2.gz UVZUQZMIVULZCM-UHFFFAOYSA-N 1 0 342.396 -1.170 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)COC1CCOCC1 ZINC001167524653 785188412 /nfs/dbraw/zinc/18/84/12/785188412.db2.gz VKIBTZDTPIEYEA-UHFFFAOYSA-N 1 0 337.442 -1.173 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)COC1CCOCC1 ZINC001167524706 785188346 /nfs/dbraw/zinc/18/83/46/785188346.db2.gz WYFAKVHJSVYPLA-UHFFFAOYSA-N 1 0 330.385 -1.267 20 0 EAADRO O=C(COC[C@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001167527708 785187539 /nfs/dbraw/zinc/18/75/39/785187539.db2.gz IOXKBXUQHFAUON-AWEZNQCLSA-N 1 0 343.424 -1.006 20 0 EAADRO O=C(COC[C@@H]1CCOC1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001167527716 785188394 /nfs/dbraw/zinc/18/83/94/785188394.db2.gz IOXKBXUQHFAUON-CQSZACIVSA-N 1 0 343.424 -1.006 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)COC[C@@H]2CCOC2)nc1=O ZINC001167527915 785188512 /nfs/dbraw/zinc/18/85/12/785188512.db2.gz KQNGQGHNASCANX-LLVKDONJSA-N 1 0 327.385 -1.243 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)COC[C@H]2CCOC2)nc1=O ZINC001167527916 785188433 /nfs/dbraw/zinc/18/84/33/785188433.db2.gz KQNGQGHNASCANX-NSHDSACASA-N 1 0 327.385 -1.243 20 0 EAADRO O=C(COC[C@@H]1CCOC1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001167527960 785188470 /nfs/dbraw/zinc/18/84/70/785188470.db2.gz LOHRUYOQONCWNP-NEPJUHHUSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(COC[C@H]1CCOC1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001167527961 785188015 /nfs/dbraw/zinc/18/80/15/785188015.db2.gz LOHRUYOQONCWNP-NWDGAFQWSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(COC[C@H]1CCOC1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001167527962 785187695 /nfs/dbraw/zinc/18/76/95/785187695.db2.gz LOHRUYOQONCWNP-RYUDHWBXSA-N 1 0 327.381 -1.059 20 0 EAADRO O=C(COC[C@@H]1CCOC1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001167527963 785188473 /nfs/dbraw/zinc/18/84/73/785188473.db2.gz LOHRUYOQONCWNP-VXGBXAGGSA-N 1 0 327.381 -1.059 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)COC1CCOCC1)C(=O)NC(N)=O ZINC001167528104 785188368 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JVDMGBDIUBZAIA-SECBINFHSA-N 1 0 334.398 -1.898 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001167530796 785188174 /nfs/dbraw/zinc/18/81/74/785188174.db2.gz JVDMGBDIUBZAIA-VIFPVBQESA-N 1 0 334.398 -1.898 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C1CCS(=O)(=O)CC1)C(=O)NC(N)=O ZINC001167531196 785188182 /nfs/dbraw/zinc/18/81/82/785188182.db2.gz QPCDMYSAANFZOV-SECBINFHSA-N 1 0 348.425 -1.510 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C1CCS(=O)(=O)CC1)C(=O)NC(N)=O ZINC001167531197 785188045 /nfs/dbraw/zinc/18/80/45/785188045.db2.gz QPCDMYSAANFZOV-VIFPVBQESA-N 1 0 348.425 -1.510 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CCS(=O)(=O)CC1 ZINC001167534250 785189540 /nfs/dbraw/zinc/18/95/40/785189540.db2.gz CWCZZWYFTQURBS-UHFFFAOYSA-N 1 0 348.425 -1.637 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)C2CCS(=O)(=O)CC2)nc1=O ZINC001167534640 785188291 /nfs/dbraw/zinc/18/82/91/785188291.db2.gz HMCLKOJGHSEKNP-UHFFFAOYSA-N 1 0 345.425 -1.471 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CCS(=O)(=O)CC1 ZINC001167534860 785187617 /nfs/dbraw/zinc/18/76/17/785187617.db2.gz IYRGEMCVTVENGE-LLVKDONJSA-N 1 0 345.421 -1.288 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)C1CCS(=O)(=O)CC1 ZINC001167534867 785187744 /nfs/dbraw/zinc/18/77/44/785187744.db2.gz IYRGEMCVTVENGE-NSHDSACASA-N 1 0 345.421 -1.288 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001167534926 785187733 /nfs/dbraw/zinc/18/77/33/785187733.db2.gz JZPPQBSNJAZOHC-GHMZBOCLSA-N 1 0 345.421 -1.288 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001167534928 785187683 /nfs/dbraw/zinc/18/76/83/785187683.db2.gz JZPPQBSNJAZOHC-MNOVXSKESA-N 1 0 345.421 -1.288 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCCS(=O)(=O)C1 ZINC001167534929 785188303 /nfs/dbraw/zinc/18/83/03/785188303.db2.gz JZPPQBSNJAZOHC-QWRGUYRKSA-N 1 0 345.421 -1.288 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCCS(=O)(=O)C1 ZINC001167534930 785188286 /nfs/dbraw/zinc/18/82/86/785188286.db2.gz JZPPQBSNJAZOHC-WDEREUQCSA-N 1 0 345.421 -1.288 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)NC(N)=O ZINC001167535143 785187767 /nfs/dbraw/zinc/18/77/67/785187767.db2.gz KJSGEASMEAVTBY-NXEZZACHSA-N 1 0 348.425 -1.510 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)NC(N)=O ZINC001167535144 785188445 /nfs/dbraw/zinc/18/84/45/785188445.db2.gz KJSGEASMEAVTBY-UWVGGRQHSA-N 1 0 348.425 -1.510 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)NC(N)=O ZINC001167535146 785189632 /nfs/dbraw/zinc/18/96/32/785189632.db2.gz KJSGEASMEAVTBY-VHSXEESVSA-N 1 0 348.425 -1.510 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)NC(N)=O ZINC001167535147 785189311 /nfs/dbraw/zinc/18/93/11/785189311.db2.gz KJSGEASMEAVTBY-ZJUUUORDSA-N 1 0 348.425 -1.510 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001167535218 785189500 /nfs/dbraw/zinc/18/95/00/785189500.db2.gz MENHWOWVTOFXDT-LLVKDONJSA-N 1 0 340.467 -1.048 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001167535222 785189647 /nfs/dbraw/zinc/18/96/47/785189647.db2.gz MENHWOWVTOFXDT-NSHDSACASA-N 1 0 340.467 -1.048 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCNC1=O)C1CCS(=O)(=O)CC1 ZINC001167535859 785189551 /nfs/dbraw/zinc/18/95/51/785189551.db2.gz QRFFRMWTWKOESI-UHFFFAOYSA-N 1 0 346.453 -1.068 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)COC[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001167535888 785189107 /nfs/dbraw/zinc/18/91/07/785189107.db2.gz RNMSHYCEDMDMEP-GHMZBOCLSA-N 1 0 330.385 -1.281 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)COC[C@H]1CCOC1)C(=O)NC(N)=O ZINC001167535889 785189678 /nfs/dbraw/zinc/18/96/78/785189678.db2.gz RNMSHYCEDMDMEP-MNOVXSKESA-N 1 0 330.385 -1.281 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)COC[C@H]1CCOC1)C(=O)NC(N)=O ZINC001167535891 785189346 /nfs/dbraw/zinc/18/93/46/785189346.db2.gz RNMSHYCEDMDMEP-QWRGUYRKSA-N 1 0 330.385 -1.281 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)COC[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001167535893 785189422 /nfs/dbraw/zinc/18/94/22/785189422.db2.gz RNMSHYCEDMDMEP-WDEREUQCSA-N 1 0 330.385 -1.281 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCCS(=O)(=O)C2)nc1=O ZINC001167536328 785189366 /nfs/dbraw/zinc/18/93/66/785189366.db2.gz WYHPDGADLYSDPC-JTQLQIEISA-N 1 0 345.425 -1.471 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCCS(=O)(=O)C2)nc1=O ZINC001167536329 785188947 /nfs/dbraw/zinc/18/89/47/785188947.db2.gz WYHPDGADLYSDPC-SNVBAGLBSA-N 1 0 345.425 -1.471 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001167536330 785189385 /nfs/dbraw/zinc/18/93/85/785189385.db2.gz WYVRQEQABJLHMR-JTQLQIEISA-N 1 0 348.425 -1.637 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001167536331 785189487 /nfs/dbraw/zinc/18/94/87/785189487.db2.gz WYVRQEQABJLHMR-SNVBAGLBSA-N 1 0 348.425 -1.637 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)C1CCS(=O)(=O)CC1 ZINC001167536475 785189706 /nfs/dbraw/zinc/18/97/06/785189706.db2.gz YFHFCPGJLUNZKZ-UHFFFAOYSA-N 1 0 340.467 -1.048 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)COC[C@H]1CCOC1 ZINC001167536488 785189013 /nfs/dbraw/zinc/18/90/13/785189013.db2.gz YMDNEAQUBJOTGF-NEPJUHHUSA-N 1 0 344.412 -1.021 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)COC[C@@H]1CCOC1 ZINC001167536489 785189248 /nfs/dbraw/zinc/18/92/48/785189248.db2.gz YMDNEAQUBJOTGF-NWDGAFQWSA-N 1 0 344.412 -1.021 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)COC[C@H]1CCOC1 ZINC001167536490 785189429 /nfs/dbraw/zinc/18/94/29/785189429.db2.gz YMDNEAQUBJOTGF-RYUDHWBXSA-N 1 0 344.412 -1.021 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)COC[C@@H]1CCOC1 ZINC001167536491 785189496 /nfs/dbraw/zinc/18/94/96/785189496.db2.gz YMDNEAQUBJOTGF-VXGBXAGGSA-N 1 0 344.412 -1.021 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001167537554 785189410 /nfs/dbraw/zinc/18/94/10/785189410.db2.gz FIQDVHQYFYHQCR-GFCCVEGCSA-N 1 0 346.453 -1.068 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1CCCS(=O)(=O)C1 ZINC001167537555 785189567 /nfs/dbraw/zinc/18/95/67/785189567.db2.gz FIQDVHQYFYHQCR-LBPRGKRZSA-N 1 0 346.453 -1.068 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541653 785189153 /nfs/dbraw/zinc/18/91/53/785189153.db2.gz AENMNVXLVJDDDU-UHFFFAOYSA-N 1 0 345.367 -1.684 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541792 785189256 /nfs/dbraw/zinc/18/92/56/785189256.db2.gz DBHZRPRSNVGZTI-UHFFFAOYSA-N 1 0 346.355 -2.289 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)Cn2ncn3nccc3c2=O)[nH]1 ZINC001167541858 785189221 /nfs/dbraw/zinc/18/92/21/785189221.db2.gz FYEIGYSIYJKRBL-UHFFFAOYSA-N 1 0 345.367 -1.386 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541863 785189574 /nfs/dbraw/zinc/18/95/74/785189574.db2.gz GBTMDBNJRTZLKN-UHFFFAOYSA-N 1 0 335.368 -1.877 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O)C(N)=O ZINC001167541877 785188991 /nfs/dbraw/zinc/18/89/91/785188991.db2.gz GPIVDSJNSLNWGD-JTQLQIEISA-N 1 0 335.368 -1.749 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O)C(N)=O ZINC001167541878 785189213 /nfs/dbraw/zinc/18/92/13/785189213.db2.gz GPIVDSJNSLNWGD-SNVBAGLBSA-N 1 0 335.368 -1.749 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001167541879 785189406 /nfs/dbraw/zinc/18/94/06/785189406.db2.gz GUVFBHXDHMOJJU-LLVKDONJSA-N 1 0 347.379 -1.735 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001167541880 785189269 /nfs/dbraw/zinc/18/92/69/785189269.db2.gz GUVFBHXDHMOJJU-NSHDSACASA-N 1 0 347.379 -1.735 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541916 785189601 /nfs/dbraw/zinc/18/96/01/785189601.db2.gz HHKGUFZBTDDNHB-JTQLQIEISA-N 1 0 335.368 -1.879 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541917 785189659 /nfs/dbraw/zinc/18/96/59/785189659.db2.gz HHKGUFZBTDDNHB-SNVBAGLBSA-N 1 0 335.368 -1.879 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541918 785189280 /nfs/dbraw/zinc/18/92/80/785189280.db2.gz HHNQEQPEFAIQTR-UHFFFAOYSA-N 1 0 345.367 -1.684 20 0 EAADRO Cc1nonc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541935 785189300 /nfs/dbraw/zinc/18/93/00/785189300.db2.gz HQXLGTZPQCOGKX-UHFFFAOYSA-N 1 0 346.351 -1.121 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541939 785189665 /nfs/dbraw/zinc/18/96/65/785189665.db2.gz IAYDYBOEVLZDTM-UHFFFAOYSA-N 1 0 345.367 -1.684 20 0 EAADRO Cn1cncc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542040 785189585 /nfs/dbraw/zinc/18/95/85/785189585.db2.gz KDAPYXXCUBCLET-UHFFFAOYSA-N 1 0 344.379 -1.079 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCCC[NH2+]Cc1ncccn1 ZINC001167542070 785189527 /nfs/dbraw/zinc/18/95/27/785189527.db2.gz LEVLKYWPVICGAT-UHFFFAOYSA-N 1 0 342.363 -1.023 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O)C(=O)N(C)C ZINC001167542109 785189554 /nfs/dbraw/zinc/18/95/54/785189554.db2.gz MFIVNVWXGSWDOF-LLVKDONJSA-N 1 0 349.395 -1.536 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O)C(=O)N(C)C ZINC001167542110 785189387 /nfs/dbraw/zinc/18/93/87/785189387.db2.gz MFIVNVWXGSWDOF-NSHDSACASA-N 1 0 349.395 -1.536 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O)NC1CC1 ZINC001167542150 785189317 /nfs/dbraw/zinc/18/93/17/785189317.db2.gz NKVNHGPPOZEOML-UHFFFAOYSA-N 1 0 347.379 -1.735 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542186 785189434 /nfs/dbraw/zinc/18/94/34/785189434.db2.gz OEXHYSYBKPHHCN-LLVKDONJSA-N 1 0 338.368 -2.006 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542187 785189698 /nfs/dbraw/zinc/18/96/98/785189698.db2.gz OEXHYSYBKPHHCN-NSHDSACASA-N 1 0 338.368 -2.006 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)Cn2ncn3nccc3c2=O)cn1 ZINC001167542202 785189175 /nfs/dbraw/zinc/18/91/75/785189175.db2.gz OOPUFSYEVIJWJJ-UHFFFAOYSA-N 1 0 344.379 -1.079 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)Cn2ncn3nccc3c2=O)n1 ZINC001167542235 785189593 /nfs/dbraw/zinc/18/95/93/785189593.db2.gz PLRLFGDZKCSZOY-UHFFFAOYSA-N 1 0 345.367 -1.684 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C(C)(C)S(C)(=O)=O)C(=O)NC(N)=O ZINC001167542261 785189672 /nfs/dbraw/zinc/18/96/72/785189672.db2.gz PZXNOSJLGDOLPL-MRVPVSSYSA-N 1 0 336.414 -1.511 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C(C)(C)S(C)(=O)=O)C(=O)NC(N)=O ZINC001167542262 785189351 /nfs/dbraw/zinc/18/93/51/785189351.db2.gz PZXNOSJLGDOLPL-QMMMGPOBSA-N 1 0 336.414 -1.511 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCCC[NH2+]CCOCCO ZINC001167542363 785189623 /nfs/dbraw/zinc/18/96/23/785189623.db2.gz SRVBAFOYJKFQQD-UHFFFAOYSA-N 1 0 338.368 -2.004 20 0 EAADRO Cn1nccc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542383 785189274 /nfs/dbraw/zinc/18/92/74/785189274.db2.gz TWXCTVSIXIQTAW-UHFFFAOYSA-N 1 0 344.379 -1.079 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542391 785188880 /nfs/dbraw/zinc/18/88/80/785188880.db2.gz UEZRXODPNPYQBN-UHFFFAOYSA-N 1 0 335.368 -1.925 20 0 EAADRO Cn1ccnc1C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542396 785189186 /nfs/dbraw/zinc/18/91/86/785189186.db2.gz UHXXLWCVKWFHOO-UHFFFAOYSA-N 1 0 344.379 -1.079 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542419 785188866 /nfs/dbraw/zinc/18/88/66/785188866.db2.gz UQTJDYROHFQGQX-UHFFFAOYSA-N 1 0 349.395 -1.487 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCCC[NH2+]CCn1cncn1 ZINC001167542425 785189418 /nfs/dbraw/zinc/18/94/18/785189418.db2.gz UUKAVEIJKMQQSI-UHFFFAOYSA-N 1 0 345.367 -1.721 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167542449 785188929 /nfs/dbraw/zinc/18/89/29/785188929.db2.gz VKJMCGMLHHUEJB-UHFFFAOYSA-N 1 0 349.395 -1.489 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)Cn2ncn3nccc3c2=O)nn1 ZINC001167542503 785189517 /nfs/dbraw/zinc/18/95/17/785189517.db2.gz WLOCIZNLKJDTPY-UHFFFAOYSA-N 1 0 345.367 -1.684 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)Cn2ncn3nccc3c2=O)C1=O ZINC001167542504 785189291 /nfs/dbraw/zinc/18/92/91/785189291.db2.gz WNEUWTBVWCCIAG-LLVKDONJSA-N 1 0 347.379 -1.782 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)Cn2ncn3nccc3c2=O)C1=O ZINC001167542505 785189377 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Cn1cc(C(=O)NCCC[NH2+]CCOCCO)c(=O)n(C)c1=O ZINC001167549598 785191855 /nfs/dbraw/zinc/19/18/55/785191855.db2.gz PSHPVUCPZOXJCA-UHFFFAOYSA-N 1 0 328.369 -2.198 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)S(C)(=O)=O ZINC001167549768 785191484 /nfs/dbraw/zinc/19/14/84/785191484.db2.gz RCTWPZWRENORJH-UHFFFAOYSA-N 1 0 336.414 -1.639 20 0 EAADRO CC(C)(C(=O)NCCC[NH2+]CCS(C)(=O)=O)S(C)(=O)=O ZINC001167549795 785191539 /nfs/dbraw/zinc/19/15/39/785191539.db2.gz RPLXFSDVARBVFP-UHFFFAOYSA-N 1 0 328.456 -1.050 20 0 EAADRO CC(C)(C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)S(C)(=O)=O ZINC001167549829 785191888 /nfs/dbraw/zinc/19/18/88/785191888.db2.gz SHADYTWHTFYUCV-SECBINFHSA-N 1 0 333.410 -1.289 20 0 EAADRO CC(C)(C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)S(C)(=O)=O ZINC001167549830 785191700 /nfs/dbraw/zinc/19/17/00/785191700.db2.gz SHADYTWHTFYUCV-VIFPVBQESA-N 1 0 333.410 -1.289 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+]Cc2ncccn2)c(=O)n(C)c1=O ZINC001167549845 785191873 /nfs/dbraw/zinc/19/18/73/785191873.db2.gz SPCWNZDFOLJFDN-UHFFFAOYSA-N 1 0 332.364 -1.216 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167549889 785191714 /nfs/dbraw/zinc/19/17/14/785191714.db2.gz UIOIQGJZDINVFQ-UHFFFAOYSA-N 1 0 339.396 -1.682 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167550054 785191766 /nfs/dbraw/zinc/19/17/66/785191766.db2.gz XHBFOUVYDPHMNP-UHFFFAOYSA-N 1 0 335.368 -1.878 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167550060 785191557 /nfs/dbraw/zinc/19/15/57/785191557.db2.gz XSEJHKWHIXMOLF-UHFFFAOYSA-N 1 0 335.368 -1.878 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167550071 785191412 /nfs/dbraw/zinc/19/14/12/785191412.db2.gz YHIGDZFEMDDZIV-UHFFFAOYSA-N 1 0 349.395 -1.395 20 0 EAADRO CC(C)(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)S(C)(=O)=O ZINC001167550086 785191843 /nfs/dbraw/zinc/19/18/43/785191843.db2.gz YTZNNJUSSFELTF-UHFFFAOYSA-N 1 0 343.471 -1.545 20 0 EAADRO Cn1cc(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)c(=O)n(C)c1=O ZINC001167550096 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CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O)C(N)=O ZINC001167703604 785254994 /nfs/dbraw/zinc/25/49/94/785254994.db2.gz AECILHBWXNCRAW-RYUDHWBXSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]C[C@H]1CCCOC1)C(N)=O ZINC001167703606 785255729 /nfs/dbraw/zinc/25/57/29/785255729.db2.gz AGLPPVZLOUHRRZ-OLZOCXBDSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]C[C@@H]1CCCOC1)C(N)=O ZINC001167703607 785255891 /nfs/dbraw/zinc/25/58/91/785255891.db2.gz AGLPPVZLOUHRRZ-STQMWFEESA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]CCc1ccnn1C)C(N)=O ZINC001167703608 785255546 /nfs/dbraw/zinc/25/55/46/785255546.db2.gz AHWLDEDAEUGZGO-ZDUSSCGKSA-N 1 0 338.412 -1.561 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703613 785255396 /nfs/dbraw/zinc/25/53/96/785255396.db2.gz AOMDESMEPMUQRJ-JQWIXIFHSA-N 1 0 343.428 -1.623 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703614 785255011 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CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703658 785255839 /nfs/dbraw/zinc/25/58/39/785255839.db2.gz CZNIVGBSOPSPAP-JQWIXIFHSA-N 1 0 343.428 -1.623 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703659 785255328 /nfs/dbraw/zinc/25/53/28/785255328.db2.gz CZNIVGBSOPSPAP-PWSUYJOCSA-N 1 0 343.428 -1.623 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1cnnn1C)C(N)=O ZINC001167703663 785255967 /nfs/dbraw/zinc/25/59/67/785255967.db2.gz DCOFTEGCQPJFJB-NSHDSACASA-N 1 0 325.373 -2.209 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1)C(N)=O ZINC001167703671 785255365 /nfs/dbraw/zinc/25/53/65/785255365.db2.gz DNIKOEBRTRUJHB-CABZTGNLSA-N 1 0 341.412 -1.871 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1)C(N)=O ZINC001167703672 785255901 /nfs/dbraw/zinc/25/59/01/785255901.db2.gz DNIKOEBRTRUJHB-SKDRFNHKSA-N 1 0 341.412 -1.871 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1=O ZINC001167703679 785255036 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CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C(N)=O ZINC001167703704 785255447 /nfs/dbraw/zinc/25/54/47/785255447.db2.gz GANKSNMGEQAYAZ-CBAPKCEASA-N 1 0 344.372 -2.954 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703722 785255324 /nfs/dbraw/zinc/25/53/24/785255324.db2.gz GTEUKFXZTMSQGV-LBPRGKRZSA-N 1 0 343.428 -1.621 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1cc(C)n(C)n1)C(N)=O ZINC001167703725 785254910 /nfs/dbraw/zinc/25/49/10/785254910.db2.gz GWKDIFJJHJGTPA-ZDUSSCGKSA-N 1 0 338.412 -1.295 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)C(N)=O ZINC001167703736 785255313 /nfs/dbraw/zinc/25/53/13/785255313.db2.gz HWGFKIGNHODKCZ-MNOVXSKESA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)C(N)=O ZINC001167703737 785255647 /nfs/dbraw/zinc/25/56/47/785255647.db2.gz HWGFKIGNHODKCZ-QWRGUYRKSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]CC(=O)N1CCCC1)C(N)=O ZINC001167703739 785255319 /nfs/dbraw/zinc/25/53/19/785255319.db2.gz HZIPNIJTIJBSNI-LBPRGKRZSA-N 1 0 341.412 -1.915 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1cnns1)C(N)=O ZINC001167703742 785255911 /nfs/dbraw/zinc/25/59/11/785255911.db2.gz ICLPFRCNBTZBNS-JTQLQIEISA-N 1 0 328.398 -1.486 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@H](C)c1nncn1C)C(N)=O ZINC001167703746 785255210 /nfs/dbraw/zinc/25/52/10/785255210.db2.gz IHAQSJQPGGWYHF-KOLCDFICSA-N 1 0 339.400 -1.648 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@@H](C)c1nncn1C)C(N)=O ZINC001167703747 785255195 /nfs/dbraw/zinc/25/51/95/785255195.db2.gz IHAQSJQPGGWYHF-ONGXEEELSA-N 1 0 339.400 -1.648 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1ncnn1C)C(N)=O ZINC001167703752 785255927 /nfs/dbraw/zinc/25/59/27/785255927.db2.gz IPIUDJFOYWUQGQ-JTQLQIEISA-N 1 0 325.373 -2.209 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1cnc(C)o1)C(N)=O ZINC001167703759 785255664 /nfs/dbraw/zinc/25/56/64/785255664.db2.gz IWKDQGQDIZKSQW-LBPRGKRZSA-N 1 0 325.369 -1.041 20 0 EAADRO CCCC[C@@H]([NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O)C(N)=O ZINC001167703764 785256036 /nfs/dbraw/zinc/25/60/36/785256036.db2.gz JDVLIZUHBAUXHT-NEPJUHHUSA-N 1 0 343.428 -1.494 20 0 EAADRO CCCC[C@H]([NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O)C(N)=O ZINC001167703765 785255123 /nfs/dbraw/zinc/25/51/23/785255123.db2.gz JDVLIZUHBAUXHT-RYUDHWBXSA-N 1 0 343.428 -1.494 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(N)=O ZINC001167703770 785254926 /nfs/dbraw/zinc/25/49/26/785254926.db2.gz JLBZLLSCGVQGTH-VIFPVBQESA-N 1 0 341.372 -2.916 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]CC1CCOCC1)C(N)=O ZINC001167703784 785255705 /nfs/dbraw/zinc/25/57/05/785255705.db2.gz JWZJHIBCGHUJCB-ZDUSSCGKSA-N 1 0 328.413 -1.111 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1cc(C)no1)C(N)=O ZINC001167703785 785255109 /nfs/dbraw/zinc/25/51/09/785255109.db2.gz JXEBBTDGZZWJTE-LBPRGKRZSA-N 1 0 325.369 -1.041 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1cnc(C)nc1)C(N)=O ZINC001167703797 785255429 /nfs/dbraw/zinc/25/54/29/785255429.db2.gz KQBSPBSORKEDCO-ZDUSSCGKSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)C(N)=O ZINC001167703804 785255655 /nfs/dbraw/zinc/25/56/55/785255655.db2.gz KYNCRRYRCOGMTK-KOLCDFICSA-N 1 0 329.401 -2.061 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)C(N)=O ZINC001167703805 785254943 /nfs/dbraw/zinc/25/49/43/785254943.db2.gz KYNCRRYRCOGMTK-ONGXEEELSA-N 1 0 329.401 -2.061 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1nnnn1C)C(N)=O ZINC001167703808 785254955 /nfs/dbraw/zinc/25/49/55/785254955.db2.gz LJEQSXARYAPDRI-VIFPVBQESA-N 1 0 326.361 -2.814 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]Cc1nnc(C)[nH]1)C(N)=O ZINC001167703815 785254892 /nfs/dbraw/zinc/25/48/92/785254892.db2.gz LRFNQMZNTOTSOH-JTQLQIEISA-N 1 0 325.373 -1.911 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703816 785255588 /nfs/dbraw/zinc/25/55/88/785255588.db2.gz LRLCBMYTECSQCP-NSHDSACASA-N 1 0 329.401 -2.011 20 0 EAADRO 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COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168023290 785662129 /nfs/dbraw/zinc/66/21/29/785662129.db2.gz DDXKFRPUOJSCNT-LLVKDONJSA-N 1 0 342.396 -1.578 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168023291 785662512 /nfs/dbraw/zinc/66/25/12/785662512.db2.gz DDXKFRPUOJSCNT-NSHDSACASA-N 1 0 342.396 -1.578 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)Cn2cncn2)CC1)C(=O)NC(N)=O ZINC001168023329 785662919 /nfs/dbraw/zinc/66/29/19/785662919.db2.gz FIBDMIMLTOYOMW-JTQLQIEISA-N 1 0 337.384 -1.262 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)Cn2cncn2)CC1)C(=O)NC(N)=O ZINC001168023330 785662798 /nfs/dbraw/zinc/66/27/98/785662798.db2.gz FIBDMIMLTOYOMW-SNVBAGLBSA-N 1 0 337.384 -1.262 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001168023331 785662662 /nfs/dbraw/zinc/66/26/62/785662662.db2.gz FIDZWOOHPMOITA-UHFFFAOYSA-N 1 0 349.395 -1.294 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001168023332 785662831 /nfs/dbraw/zinc/66/28/31/785662831.db2.gz FIJYJWSUNRRYEH-UHFFFAOYSA-N 1 0 342.396 -1.577 20 0 EAADRO CN1CC(=O)N(CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1=O ZINC001168023450 785662282 /nfs/dbraw/zinc/66/22/82/785662282.db2.gz HAVABLPBSXWGBM-UHFFFAOYSA-N 1 0 325.369 -1.758 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001168023466 785663944 /nfs/dbraw/zinc/66/39/44/785663944.db2.gz HNGNTJWKMPWOSU-UHFFFAOYSA-N 1 0 339.396 -1.498 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001168023478 785663883 /nfs/dbraw/zinc/66/38/83/785663883.db2.gz HSEPNMWWTYKIOS-SECBINFHSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001168023482 785663990 /nfs/dbraw/zinc/66/39/90/785663990.db2.gz HSEPNMWWTYKIOS-VIFPVBQESA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168023510 785664237 /nfs/dbraw/zinc/66/42/37/785664237.db2.gz IGWAOLAHRYZZMG-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168023511 785663875 /nfs/dbraw/zinc/66/38/75/785663875.db2.gz IGWAOLAHRYZZMG-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168023591 785663419 /nfs/dbraw/zinc/66/34/19/785663419.db2.gz KCXDMNFVQXGWKW-UHFFFAOYSA-N 1 0 325.369 -1.840 20 0 EAADRO O=C(Cn1cncn1)NCCC1(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001168023777 785664163 /nfs/dbraw/zinc/66/41/63/785664163.db2.gz NNAHMYWBERIRTA-UHFFFAOYSA-N 1 0 349.395 -1.294 20 0 EAADRO Cn1ncc(C[NH2+]CC2(CCNC(=O)CN3C(=O)CNC3=O)CC2)n1 ZINC001168023785 785664015 /nfs/dbraw/zinc/66/40/15/785664015.db2.gz NZDAPBMLVTUUQJ-UHFFFAOYSA-N 1 0 349.395 -1.257 20 0 EAADRO CC[C@H]([NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001168023814 785663609 /nfs/dbraw/zinc/66/36/09/785663609.db2.gz OZAOJRQFYLPNPV-JTQLQIEISA-N 1 0 339.396 -1.322 20 0 EAADRO CC[C@@H]([NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1)C(N)=O ZINC001168023815 785664200 /nfs/dbraw/zinc/66/42/00/785664200.db2.gz OZAOJRQFYLPNPV-SNVBAGLBSA-N 1 0 339.396 -1.322 20 0 EAADRO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168023819 785663585 /nfs/dbraw/zinc/66/35/85/785663585.db2.gz PGMQSARWLOJRJT-UHFFFAOYSA-N 1 0 339.396 -1.498 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)Cn2cncn2)CC1 ZINC001168023837 785663601 /nfs/dbraw/zinc/66/36/01/785663601.db2.gz QBKANWNUGUVVRN-UHFFFAOYSA-N 1 0 344.441 -1.297 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1)C(N)=O ZINC001168024190 785664217 /nfs/dbraw/zinc/66/42/17/785664217.db2.gz ZOWDYIBHSVPXNN-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1)C(N)=O ZINC001168024192 785663687 /nfs/dbraw/zinc/66/36/87/785663687.db2.gz ZOWDYIBHSVPXNN-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001168031955 785666391 /nfs/dbraw/zinc/66/63/91/785666391.db2.gz ATWYPGQZWJESME-SECBINFHSA-N 1 0 325.369 -1.664 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001168031956 785666103 /nfs/dbraw/zinc/66/61/03/785666103.db2.gz ATWYPGQZWJESME-VIFPVBQESA-N 1 0 325.369 -1.664 20 0 EAADRO NC(=O)NCCC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001168031979 785666217 /nfs/dbraw/zinc/66/62/17/785666217.db2.gz BYSIZTSOIZLDIZ-UHFFFAOYSA-N 1 0 328.373 -1.884 20 0 EAADRO NC(=O)NCCC(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001168032364 785666145 /nfs/dbraw/zinc/66/61/45/785666145.db2.gz HDTNADXHELVCGH-UHFFFAOYSA-N 1 0 340.428 -1.054 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001168032375 785666290 /nfs/dbraw/zinc/66/62/90/785666290.db2.gz HMLNTRTUUGXBBT-JTQLQIEISA-N 1 0 339.396 -1.403 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001168032376 785666070 /nfs/dbraw/zinc/66/60/70/785666070.db2.gz HMLNTRTUUGXBBT-SNVBAGLBSA-N 1 0 339.396 -1.403 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)CCNC(N)=O)CC1 ZINC001168032731 785666100 /nfs/dbraw/zinc/66/61/00/785666100.db2.gz KOIJEDZWFJLZDO-UHFFFAOYSA-N 1 0 349.457 -1.530 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)CCNC(N)=O)CC1)C(=O)NC(N)=O ZINC001168032860 785666434 /nfs/dbraw/zinc/66/64/34/785666434.db2.gz QARRFCDVDBPFSO-SECBINFHSA-N 1 0 342.400 -1.496 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)CCNC(N)=O)CC1)C(=O)NC(N)=O ZINC001168032862 785666058 /nfs/dbraw/zinc/66/60/58/785666058.db2.gz QARRFCDVDBPFSO-VIFPVBQESA-N 1 0 342.400 -1.496 20 0 EAADRO Cn1cnnc1C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168042476 785668743 /nfs/dbraw/zinc/66/87/43/785668743.db2.gz FEHXPQFEDJVHQE-UHFFFAOYSA-N 1 0 349.395 -1.257 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)C1(n2cnnn2)CCOCC1 ZINC001168042722 785669291 /nfs/dbraw/zinc/66/92/91/785669291.db2.gz BGHNWJZUFRMIDO-UHFFFAOYSA-N 1 0 342.400 -1.716 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1)C(N)=O ZINC001168042758 785669268 /nfs/dbraw/zinc/66/92/68/785669268.db2.gz CTESEHQWFVKJFU-JTQLQIEISA-N 1 0 325.373 -1.852 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1)C(N)=O ZINC001168042759 785669314 /nfs/dbraw/zinc/66/93/14/785669314.db2.gz CTESEHQWFVKJFU-SNVBAGLBSA-N 1 0 325.373 -1.852 20 0 EAADRO Cn1ncnc1C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168042937 785669308 /nfs/dbraw/zinc/66/93/08/785669308.db2.gz JGAKFULDMIARNB-UHFFFAOYSA-N 1 0 349.395 -1.257 20 0 EAADRO Cn1nnnc1C[NH2+]CC1(CCNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001168042950 785669297 /nfs/dbraw/zinc/66/92/97/785669297.db2.gz JSAWZCDWQRSEFI-UHFFFAOYSA-N 1 0 349.395 -1.265 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)c2nccnc2C(N)=O)CC1)C(N)=O ZINC001168042953 785669100 /nfs/dbraw/zinc/66/91/00/785669100.db2.gz JUWYCVDJSVYPIS-SECBINFHSA-N 1 0 334.380 -1.061 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)c2nccnc2C(N)=O)CC1)C(N)=O ZINC001168042954 785668548 /nfs/dbraw/zinc/66/85/48/785668548.db2.gz JUWYCVDJSVYPIS-VIFPVBQESA-N 1 0 334.380 -1.061 20 0 EAADRO O=C(NCCC[NH2+]CCn1cncn1)C1(n2cnnn2)CCOCC1 ZINC001168043208 785669052 /nfs/dbraw/zinc/66/90/52/785669052.db2.gz FSHWSQBPWGSERG-UHFFFAOYSA-N 1 0 349.399 -1.434 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCNC1=O)C1(n2cnnn2)CCOCC1 ZINC001168043286 785669239 /nfs/dbraw/zinc/66/92/39/785669239.db2.gz HYPQMXURFSKKCB-LLVKDONJSA-N 1 0 337.384 -1.837 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCNC1=O)C1(n2cnnn2)CCOCC1 ZINC001168043287 785668664 /nfs/dbraw/zinc/66/86/64/785668664.db2.gz HYPQMXURFSKKCB-NSHDSACASA-N 1 0 337.384 -1.837 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)C2(n3cnnn3)CCOCC2)[nH]1 ZINC001168043296 785669350 /nfs/dbraw/zinc/66/93/50/785669350.db2.gz IQTQUWNGMAZMLY-UHFFFAOYSA-N 1 0 349.399 -1.099 20 0 EAADRO CNC(=O)C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168043303 785668931 /nfs/dbraw/zinc/66/89/31/785668931.db2.gz IVIBLMDUBQBKPF-UHFFFAOYSA-N 1 0 325.373 -1.979 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168043401 785668655 /nfs/dbraw/zinc/66/86/55/785668655.db2.gz JSGHQCTUQWUFJG-GFCCVEGCSA-N 1 0 342.400 -1.718 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168043410 785669154 /nfs/dbraw/zinc/66/91/54/785669154.db2.gz JSGHQCTUQWUFJG-LBPRGKRZSA-N 1 0 342.400 -1.718 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168043417 785669343 /nfs/dbraw/zinc/66/93/43/785669343.db2.gz JULILCZGVZTJMG-UHFFFAOYSA-N 1 0 349.399 -1.397 20 0 EAADRO Cn1nncc1C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168043459 785668606 /nfs/dbraw/zinc/66/86/06/785668606.db2.gz MSHILUVJYDTISN-UHFFFAOYSA-N 1 0 349.395 -1.257 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168043521 785669236 /nfs/dbraw/zinc/66/92/36/785669236.db2.gz NHOVOAHUMBJXBH-JTQLQIEISA-N 1 0 337.380 -1.697 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168043528 785668590 /nfs/dbraw/zinc/66/85/90/785668590.db2.gz NHOVOAHUMBJXBH-SNVBAGLBSA-N 1 0 337.380 -1.697 20 0 EAADRO Cn1nnc(CNCCCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001168043660 785669202 /nfs/dbraw/zinc/66/92/02/785669202.db2.gz LHAFVCNKUILJRD-UHFFFAOYSA-N 1 0 335.416 -1.122 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1)C(N)=O ZINC001168043822 785669022 /nfs/dbraw/zinc/66/90/22/785669022.db2.gz MNOWDFOVGDDXMJ-LLVKDONJSA-N 1 0 339.400 -1.461 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1)C(N)=O ZINC001168043824 785669057 /nfs/dbraw/zinc/66/90/57/785669057.db2.gz MNOWDFOVGDDXMJ-NSHDSACASA-N 1 0 339.400 -1.461 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)C2(n3cnnn3)CCOCC2)n1 ZINC001168043826 785669251 /nfs/dbraw/zinc/66/92/51/785669251.db2.gz MOUVWOXWQMFJDF-UHFFFAOYSA-N 1 0 349.399 -1.397 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168043882 785669159 /nfs/dbraw/zinc/66/91/59/785669159.db2.gz NGXFWTXVGRPRCZ-UHFFFAOYSA-N 1 0 349.399 -1.397 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168043948 785670236 /nfs/dbraw/zinc/67/02/36/785670236.db2.gz OWKHQUKXQZIUEZ-LLVKDONJSA-N 1 0 339.400 -1.591 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168043951 785669957 /nfs/dbraw/zinc/66/99/57/785669957.db2.gz OWKHQUKXQZIUEZ-NSHDSACASA-N 1 0 339.400 -1.591 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)C2(n3cnnn3)CCOCC2)nn1 ZINC001168044022 785670536 /nfs/dbraw/zinc/67/05/36/785670536.db2.gz QCWHKZHWJISPTA-UHFFFAOYSA-N 1 0 349.399 -1.397 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168044160 785670812 /nfs/dbraw/zinc/67/08/12/785670812.db2.gz RSEZAEOFELQPSH-LLVKDONJSA-N 1 0 336.392 -1.100 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168044163 785670666 /nfs/dbraw/zinc/67/06/66/785670666.db2.gz RSEZAEOFELQPSH-NSHDSACASA-N 1 0 336.392 -1.100 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168044319 785670362 /nfs/dbraw/zinc/67/03/62/785670362.db2.gz RATBFQFVQDUSSY-UHFFFAOYSA-N 1 0 339.400 -1.589 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168044409 785670635 /nfs/dbraw/zinc/67/06/35/785670635.db2.gz TZMWJDHFQPYEAX-UHFFFAOYSA-N 1 0 349.399 -1.397 20 0 EAADRO NC(=O)c1nccnc1C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168044570 785670769 /nfs/dbraw/zinc/67/07/69/785670769.db2.gz WFERNWQIODYUTP-JTQLQIEISA-N 1 0 346.391 -1.046 20 0 EAADRO NC(=O)c1nccnc1C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168044580 785670058 /nfs/dbraw/zinc/67/00/58/785670058.db2.gz WFERNWQIODYUTP-SNVBAGLBSA-N 1 0 346.391 -1.046 20 0 EAADRO Cn1cc(C[NH2+]CC2(CCNC(=O)CN3C(=O)CNC3=O)CC2)nn1 ZINC001168044735 785670217 /nfs/dbraw/zinc/67/02/17/785670217.db2.gz XZYYXBDSIBQCAE-UHFFFAOYSA-N 1 0 349.395 -1.257 20 0 EAADRO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001168044759 785670765 /nfs/dbraw/zinc/67/07/65/785670765.db2.gz YYDVWFLYZITHBO-UHFFFAOYSA-N 1 0 339.396 -1.450 20 0 EAADRO CNC(=O)C[NH2+]CC1(CCNC(=O)c2nccnc2C(N)=O)CC1 ZINC001168044773 785670430 /nfs/dbraw/zinc/67/04/30/785670430.db2.gz ZMYQEQVRPCHHCT-UHFFFAOYSA-N 1 0 334.380 -1.189 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168044812 785670353 /nfs/dbraw/zinc/67/03/53/785670353.db2.gz YUYLCTDAHFQGNS-UHFFFAOYSA-N 1 0 339.400 -1.637 20 0 EAADRO O=C(NCCC[NH2+]Cc1cnon1)C1(n2cnnn2)CCOCC1 ZINC001168044832 785670296 /nfs/dbraw/zinc/67/02/96/785670296.db2.gz ZPHWQDPJPCAXTI-UHFFFAOYSA-N 1 0 336.356 -1.142 20 0 EAADRO Cn1[nH]c(C[NH2+]CC2(CCNC(=O)CCNC(N)=O)CC2)nc1=O ZINC001168051973 785704604 /nfs/dbraw/zinc/70/46/04/785704604.db2.gz IKYKOXPFZNFRMD-UHFFFAOYSA-N 1 0 339.400 -1.457 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)CCNC(N)=O)CC1 ZINC001168052637 785705879 /nfs/dbraw/zinc/70/58/79/785705879.db2.gz PHARFLIEICFMAX-UHFFFAOYSA-N 1 0 342.400 -1.624 20 0 EAADRO CS(=O)(=O)CC[NH2+]CC1(CCNC(=O)CCNC(N)=O)CC1 ZINC001168052770 785705740 /nfs/dbraw/zinc/70/57/40/785705740.db2.gz QQCKEDQEKBKQJL-UHFFFAOYSA-N 1 0 334.442 -1.035 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001168052778 785706276 /nfs/dbraw/zinc/70/62/76/785706276.db2.gz QTLPVLWELDNODL-NXEZZACHSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001168052780 785706111 /nfs/dbraw/zinc/70/61/11/785706111.db2.gz QTLPVLWELDNODL-UWVGGRQHSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@H]([NH2+]CC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001168052781 785705790 /nfs/dbraw/zinc/70/57/90/785705790.db2.gz QTLPVLWELDNODL-VHSXEESVSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@@H]([NH2+]CC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1)C(N)=O ZINC001168052784 785705747 /nfs/dbraw/zinc/70/57/47/785705747.db2.gz QTLPVLWELDNODL-ZJUUUORDSA-N 1 0 339.396 -1.276 20 0 EAADRO NC(=O)NCCC(=O)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001168052910 785705414 /nfs/dbraw/zinc/70/54/14/785705414.db2.gz TYYSQNHMRSQZRF-JTQLQIEISA-N 1 0 339.396 -1.274 20 0 EAADRO NC(=O)NCCC(=O)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001168052912 785706312 /nfs/dbraw/zinc/70/63/12/785706312.db2.gz TYYSQNHMRSQZRF-SNVBAGLBSA-N 1 0 339.396 -1.274 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)Cn2ccccc2=O)CC1 ZINC001168058378 785707010 /nfs/dbraw/zinc/70/70/10/785707010.db2.gz QVFJXVZJIDOQSU-UHFFFAOYSA-N 1 0 349.391 -1.081 20 0 EAADRO NC(=O)C[NH2+]CC1(CCNC(=O)CCCN2C(=O)CNC2=O)CC1 ZINC001168058872 785710067 /nfs/dbraw/zinc/71/00/67/785710067.db2.gz WHVRJRQMJZFIIC-UHFFFAOYSA-N 1 0 339.396 -1.320 20 0 EAADRO CN1CC[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)S1(=O)=O ZINC001168059961 785710620 /nfs/dbraw/zinc/71/06/20/785710620.db2.gz AXPDRMOIFMZJFS-LLVKDONJSA-N 1 0 347.441 -1.859 20 0 EAADRO CN1CC[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)S1(=O)=O ZINC001168059964 785710937 /nfs/dbraw/zinc/71/09/37/785710937.db2.gz AXPDRMOIFMZJFS-NSHDSACASA-N 1 0 347.441 -1.859 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)N(C)C ZINC001168060371 785711619 /nfs/dbraw/zinc/71/16/19/785711619.db2.gz DIVOWWWJGHHSHE-GHMZBOCLSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)N(C)C ZINC001168060373 785711107 /nfs/dbraw/zinc/71/11/07/785711107.db2.gz DIVOWWWJGHHSHE-MNOVXSKESA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)N(C)C ZINC001168060375 785710808 /nfs/dbraw/zinc/71/08/08/785710808.db2.gz DIVOWWWJGHHSHE-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)N(C)C ZINC001168060377 785711787 /nfs/dbraw/zinc/71/17/87/785711787.db2.gz DIVOWWWJGHHSHE-WDEREUQCSA-N 1 0 334.442 -1.407 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001168060622 785710884 /nfs/dbraw/zinc/71/08/84/785710884.db2.gz HCBQZWGHHIRLNQ-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001168060641 785711674 /nfs/dbraw/zinc/71/16/74/785711674.db2.gz HCBQZWGHHIRLNQ-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001168060644 785710661 /nfs/dbraw/zinc/71/06/61/785710661.db2.gz HCBQZWGHHIRLNQ-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001168060646 785710723 /nfs/dbraw/zinc/71/07/23/785710723.db2.gz HCBQZWGHHIRLNQ-WDEREUQCSA-N 1 0 332.426 -1.653 20 0 EAADRO CN1CC[C@H](C(=O)NCCC[NH2+]CCn2cncn2)S1(=O)=O ZINC001168061102 785711726 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CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001168061257 785711333 /nfs/dbraw/zinc/71/13/33/785711333.db2.gz KCMQZFRLIRWXDF-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001168061258 785710771 /nfs/dbraw/zinc/71/07/71/785710771.db2.gz KCMQZFRLIRWXDF-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001168061277 785711398 /nfs/dbraw/zinc/71/13/98/785711398.db2.gz KLIHKBYEURCYKM-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001168061280 785711578 /nfs/dbraw/zinc/71/15/78/785711578.db2.gz KLIHKBYEURCYKM-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CN1CC[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)S1(=O)=O ZINC001168061291 785711269 /nfs/dbraw/zinc/71/12/69/785711269.db2.gz KNDRKHYGUYSZMS-NXEZZACHSA-N 1 0 346.409 -2.079 20 0 EAADRO CN1CC[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)S1(=O)=O ZINC001168061293 785711317 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CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001168062555 785711051 /nfs/dbraw/zinc/71/10/51/785711051.db2.gz UUQQHTFYVXMMMD-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001168062556 785711523 /nfs/dbraw/zinc/71/15/23/785711523.db2.gz UUQQHTFYVXMMMD-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001168062557 785711446 /nfs/dbraw/zinc/71/14/46/785711446.db2.gz UUQQHTFYVXMMMD-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001168062558 785711467 /nfs/dbraw/zinc/71/14/67/785711467.db2.gz UUQQHTFYVXMMMD-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CN1CC[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)S1(=O)=O ZINC001168062836 785711181 /nfs/dbraw/zinc/71/11/81/785711181.db2.gz WZNUCMUHTBZFSH-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CN1CC[C@H](C(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)S1(=O)=O ZINC001168062837 785711688 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CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001168062957 785711475 /nfs/dbraw/zinc/71/14/75/785711475.db2.gz ZWPMAXJSRJPCMM-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CN1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)S1(=O)=O ZINC001168067600 785730682 /nfs/dbraw/zinc/73/06/82/785730682.db2.gz BSZUXHMFZCRWKY-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CN1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)S1(=O)=O ZINC001168067606 785730404 /nfs/dbraw/zinc/73/04/04/785730404.db2.gz BSZUXHMFZCRWKY-LBPRGKRZSA-N 1 0 346.453 -1.261 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)NC1CC1 ZINC001168068137 785730533 /nfs/dbraw/zinc/73/05/33/785730533.db2.gz GIRZBYDUUCFPRE-CMPLNLGQSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)NC1CC1 ZINC001168068138 785730446 /nfs/dbraw/zinc/73/04/46/785730446.db2.gz GIRZBYDUUCFPRE-JQWIXIFHSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)NC1CC1 ZINC001168068139 785730776 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FKGNFOIJQNFRGZ-UHFFFAOYSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1nccc1C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168512077 786027968 /nfs/dbraw/zinc/02/79/68/786027968.db2.gz GVZFLSBVHSKJFM-UHFFFAOYSA-N 1 0 334.380 -1.044 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168512391 786028044 /nfs/dbraw/zinc/02/80/44/786028044.db2.gz IHFSSXGGKZDGAG-LLVKDONJSA-N 1 0 328.369 -1.970 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168512403 786027836 /nfs/dbraw/zinc/02/78/36/786027836.db2.gz IHFSSXGGKZDGAG-NSHDSACASA-N 1 0 328.369 -1.970 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC001168512405 786027814 /nfs/dbraw/zinc/02/78/14/786027814.db2.gz IICNTDAIHDBXEI-UHFFFAOYSA-N 1 0 349.395 -1.166 20 0 EAADRO Cc1nonc1C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168512423 786027843 /nfs/dbraw/zinc/02/78/43/786027843.db2.gz IOXCQMPKZQGPCZ-UHFFFAOYSA-N 1 0 336.352 -1.086 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O)c1nncn1C ZINC001168512437 786027997 /nfs/dbraw/zinc/02/79/97/786027997.db2.gz IWXVUNDIMWEGIK-LLVKDONJSA-N 1 0 349.395 -1.088 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O)c1nncn1C ZINC001168512442 786028147 /nfs/dbraw/zinc/02/81/47/786028147.db2.gz IWXVUNDIMWEGIK-NSHDSACASA-N 1 0 349.395 -1.088 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001168512533 786028027 /nfs/dbraw/zinc/02/80/27/786028027.db2.gz KDTMVLSEYOFANZ-UHFFFAOYSA-N 1 0 337.380 -1.699 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168512944 786027625 /nfs/dbraw/zinc/02/76/25/786027625.db2.gz LMRZYVXKKNLGQA-UHFFFAOYSA-N 1 0 335.368 -1.649 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)CCn2cc[nH]c(=O)c2=O)[nH]1 ZINC001168513018 786028095 /nfs/dbraw/zinc/02/80/95/786028095.db2.gz MHEONXHUVNHLPQ-UHFFFAOYSA-N 1 0 335.368 -1.351 20 0 EAADRO Cn1ccc(C[NH2+]CCCNC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC001168513019 786027730 /nfs/dbraw/zinc/02/77/30/786027730.db2.gz MJWZCGCIBLWXHX-UHFFFAOYSA-N 1 0 334.380 -1.044 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168513618 786027826 /nfs/dbraw/zinc/02/78/26/786027826.db2.gz OVJQGSONPZVMLF-UHFFFAOYSA-N 1 0 340.340 -2.783 20 0 EAADRO Cn1cc(CC[NH2+]CCCNC(=O)CCn2cc[nH]c(=O)c2=O)cn1 ZINC001168513629 786027806 /nfs/dbraw/zinc/02/78/06/786027806.db2.gz OXAAMYZPALQPFB-UHFFFAOYSA-N 1 0 348.407 -1.001 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC001168513670 786028060 /nfs/dbraw/zinc/02/80/60/786028060.db2.gz PRRVKEZPHJCWJK-UHFFFAOYSA-N 1 0 335.368 -1.649 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168513678 786028023 /nfs/dbraw/zinc/02/80/23/786028023.db2.gz PUVWXXOCTUWART-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O)C(N)=O ZINC001168513679 786027600 /nfs/dbraw/zinc/02/76/00/786027600.db2.gz PVKIHABYZNEDRI-JTQLQIEISA-N 1 0 325.369 -1.714 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O)C(N)=O ZINC001168513684 786027789 /nfs/dbraw/zinc/02/77/89/786027789.db2.gz PVKIHABYZNEDRI-SNVBAGLBSA-N 1 0 325.369 -1.714 20 0 EAADRO Cn1cncc1C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168514115 786027714 /nfs/dbraw/zinc/02/77/14/786027714.db2.gz RGCDAKAJMLSIKM-UHFFFAOYSA-N 1 0 334.380 -1.044 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001168514201 786027936 /nfs/dbraw/zinc/02/79/36/786027936.db2.gz UECVPRLETRQCMT-LLVKDONJSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001168514203 786027636 /nfs/dbraw/zinc/02/76/36/786027636.db2.gz UECVPRLETRQCMT-NSHDSACASA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NCCC[NH2+]CCn1cncn1 ZINC001168514239 786028099 /nfs/dbraw/zinc/02/80/99/786028099.db2.gz UTFSQRGBLWQBNP-UHFFFAOYSA-N 1 0 335.368 -1.686 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NCCC[NH2+]CCn1cccn1 ZINC001168514606 786027660 /nfs/dbraw/zinc/02/76/60/786027660.db2.gz VTIJZHOAQOVQJB-UHFFFAOYSA-N 1 0 334.380 -1.081 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168514615 786028010 /nfs/dbraw/zinc/02/80/10/786028010.db2.gz VZINRRJEUSREQF-UHFFFAOYSA-N 1 0 325.369 -1.841 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168514698 786028049 /nfs/dbraw/zinc/02/80/49/786028049.db2.gz WHIPKXPFCKHUOR-UHFFFAOYSA-N 1 0 349.395 -1.166 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168514709 786028125 /nfs/dbraw/zinc/02/81/25/786028125.db2.gz WJVJZOONRKDEQM-UHFFFAOYSA-N 1 0 349.395 -1.166 20 0 EAADRO Cn1nccc1CC[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168514735 786027977 /nfs/dbraw/zinc/02/79/77/786027977.db2.gz WOTRUTSELPPKCD-UHFFFAOYSA-N 1 0 348.407 -1.001 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001168514742 786027877 /nfs/dbraw/zinc/02/78/77/786027877.db2.gz WRWMWVJEZZJZIZ-UHFFFAOYSA-N 1 0 337.380 -1.745 20 0 EAADRO Cn1nnc(CNCCCNC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC001168514811 786027903 /nfs/dbraw/zinc/02/79/03/786027903.db2.gz YMESYSNCUJFRPQ-UHFFFAOYSA-N 1 0 336.356 -2.254 20 0 EAADRO Cn1ccnc1C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168514927 786027653 /nfs/dbraw/zinc/02/76/53/786027653.db2.gz ZBDCUUDMAOXCEH-UHFFFAOYSA-N 1 0 334.380 -1.044 20 0 EAADRO CC(=O)NCc1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)o1 ZINC001168523154 786028474 /nfs/dbraw/zinc/02/84/74/786028474.db2.gz KZRUYPJAGXEFFA-UHFFFAOYSA-N 1 0 339.352 -1.180 20 0 EAADRO CC(C)CCC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001168533167 786076067 /nfs/dbraw/zinc/07/60/67/786076067.db2.gz ZAVKULQHQTXHEL-UHFFFAOYSA-N 1 0 329.401 -1.170 20 0 EAADRO Cc1n[nH]c(C)c1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001168571266 786116440 /nfs/dbraw/zinc/11/64/40/786116440.db2.gz VDKNIFZSTXPLAY-UHFFFAOYSA-N 1 0 336.396 -1.306 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001168579648 786118770 /nfs/dbraw/zinc/11/87/70/786118770.db2.gz FXAFDMARZXTQOY-GFCCVEGCSA-N 1 0 341.408 -1.076 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001168579649 786119119 /nfs/dbraw/zinc/11/91/19/786119119.db2.gz FXAFDMARZXTQOY-LBPRGKRZSA-N 1 0 341.408 -1.076 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001168580963 786120127 /nfs/dbraw/zinc/12/01/27/786120127.db2.gz PVZURUYOSXXNPO-NEPJUHHUSA-N 1 0 341.408 -1.077 20 0 EAADRO COC[C@H](O)C[NH2+]CC1(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001168580964 786120079 /nfs/dbraw/zinc/12/00/79/786120079.db2.gz PVZURUYOSXXNPO-NWDGAFQWSA-N 1 0 341.408 -1.077 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001168580965 786120420 /nfs/dbraw/zinc/12/04/20/786120420.db2.gz PVZURUYOSXXNPO-RYUDHWBXSA-N 1 0 341.408 -1.077 20 0 EAADRO COC[C@H](O)C[NH2+]CC1(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001168580966 786120003 /nfs/dbraw/zinc/12/00/03/786120003.db2.gz PVZURUYOSXXNPO-VXGBXAGGSA-N 1 0 341.408 -1.077 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168581268 786119659 /nfs/dbraw/zinc/11/96/59/786119659.db2.gz SZMSSNKPELPJAD-GHMZBOCLSA-N 1 0 336.392 -1.196 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168581271 786120071 /nfs/dbraw/zinc/12/00/71/786120071.db2.gz SZMSSNKPELPJAD-MNOVXSKESA-N 1 0 336.392 -1.196 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168581272 786119999 /nfs/dbraw/zinc/11/99/99/786119999.db2.gz SZMSSNKPELPJAD-QWRGUYRKSA-N 1 0 336.392 -1.196 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168581274 786119681 /nfs/dbraw/zinc/11/96/81/786119681.db2.gz SZMSSNKPELPJAD-WDEREUQCSA-N 1 0 336.392 -1.196 20 0 EAADRO Cn1nnnc1C[NH2+]CC1(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001168581625 786120407 /nfs/dbraw/zinc/12/04/07/786120407.db2.gz XXSUKKXYVXCQKU-JTQLQIEISA-N 1 0 349.395 -1.361 20 0 EAADRO Cn1nnnc1C[NH2+]CC1(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001168581627 786120074 /nfs/dbraw/zinc/12/00/74/786120074.db2.gz XXSUKKXYVXCQKU-SNVBAGLBSA-N 1 0 349.395 -1.361 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001168606052 786124268 /nfs/dbraw/zinc/12/42/68/786124268.db2.gz ABPXMECVNFTOSX-UHFFFAOYSA-N 1 0 337.384 -1.457 20 0 EAADRO O=C(CN1CC(=O)NC1=O)NCCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001168606053 786124703 /nfs/dbraw/zinc/12/47/03/786124703.db2.gz AFBLGBGRDJYWDJ-UHFFFAOYSA-N 1 0 335.368 -1.170 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)CN1CC(=O)NC1=O)NC1CCCC1 ZINC001168606067 786124486 /nfs/dbraw/zinc/12/44/86/786124486.db2.gz AZQGJEYCRCGMDC-UHFFFAOYSA-N 1 0 339.396 -1.307 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)CN2CC(=O)NC2=O)s1 ZINC001168606070 786124475 /nfs/dbraw/zinc/12/44/75/786124475.db2.gz BGFSBNHFOMUPCN-UHFFFAOYSA-N 1 0 326.382 -1.006 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)CN1CC(=O)NC1=O)C1CC1 ZINC001168606084 786124614 /nfs/dbraw/zinc/12/46/14/786124614.db2.gz BQUHMFXWKUCSCS-UHFFFAOYSA-N 1 0 325.369 -1.745 20 0 EAADRO Cc1noc(CCC[NH2+]CCCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001168606103 786124608 /nfs/dbraw/zinc/12/46/08/786124608.db2.gz CCGPIKWMCYGGJS-UHFFFAOYSA-N 1 0 338.368 -1.042 20 0 EAADRO 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O=C(CCc1ncccn1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001168856000 786491238 /nfs/dbraw/zinc/49/12/38/786491238.db2.gz LAOBGXXMEDJVCK-UHFFFAOYSA-N 1 0 348.407 -1.537 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]CCN1C(=O)CNC1=O ZINC001168865207 786492093 /nfs/dbraw/zinc/49/20/93/786492093.db2.gz JJQLKYAWSQSLNW-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]CCN1C(=O)CNC1=O ZINC001168865208 786491732 /nfs/dbraw/zinc/49/17/32/786491732.db2.gz JJQLKYAWSQSLNW-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001168866488 786492303 /nfs/dbraw/zinc/49/23/03/786492303.db2.gz QMYZUKRUEOUBOE-NXEZZACHSA-N 1 0 329.401 -1.030 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001168866489 786492226 /nfs/dbraw/zinc/49/22/26/786492226.db2.gz QMYZUKRUEOUBOE-UWVGGRQHSA-N 1 0 329.401 -1.030 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001168866491 786492010 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CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CNC(C)=O ZINC001168881806 786493344 /nfs/dbraw/zinc/49/33/44/786493344.db2.gz VKGJNHZWBUYOMT-SNVBAGLBSA-N 1 0 329.401 -1.157 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cnon1 ZINC001168891183 786493106 /nfs/dbraw/zinc/49/31/06/786493106.db2.gz AUICNFQPAMESRI-UHFFFAOYSA-N 1 0 349.413 -1.265 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCCNC(=O)c2cnon2)CC1 ZINC001168891708 786493361 /nfs/dbraw/zinc/49/33/61/786493361.db2.gz FKZYPKFELOGMBS-UHFFFAOYSA-N 1 0 338.368 -1.497 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cnon1 ZINC001168892376 786493257 /nfs/dbraw/zinc/49/32/57/786493257.db2.gz NOWUYVUSEQBKTK-SECBINFHSA-N 1 0 325.325 -1.711 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cnon1 ZINC001168892377 786493388 /nfs/dbraw/zinc/49/33/88/786493388.db2.gz NOWUYVUSEQBKTK-VIFPVBQESA-N 1 0 325.325 -1.711 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)c2cnon2)CC1 ZINC001168892831 786494208 /nfs/dbraw/zinc/49/42/08/786494208.db2.gz 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ZINC001168916239 786495235 /nfs/dbraw/zinc/49/52/35/786495235.db2.gz AUDNMAWTFCNVIP-SECBINFHSA-N 1 0 342.356 -1.360 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnon1 ZINC001168916240 786494618 /nfs/dbraw/zinc/49/46/18/786494618.db2.gz AUDNMAWTFCNVIP-VIFPVBQESA-N 1 0 342.356 -1.360 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cnon1)NCC(=O)N1CCCC1 ZINC001168916470 786495180 /nfs/dbraw/zinc/49/51/80/786495180.db2.gz GOWCXMRKUBQEEN-UHFFFAOYSA-N 1 0 338.368 -1.482 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc2ncccn2n1 ZINC001168917007 786495477 /nfs/dbraw/zinc/49/54/77/786495477.db2.gz RSOXPOFBRHSBMB-UHFFFAOYSA-N 1 0 333.352 -1.106 20 0 EAADRO CS(=O)(=O)N1CCN(c2cccc(-n3nnnc3C[NH3+])n2)CC1 ZINC001168920224 786494595 /nfs/dbraw/zinc/49/45/95/786494595.db2.gz BNPYMZTWRNXMPR-UHFFFAOYSA-N 1 0 338.397 -1.402 20 0 EAADRO CN1CCN(S(=O)(=O)c2cccnc2-n2nnnc2C[NH3+])CC1 ZINC001168920546 786495452 /nfs/dbraw/zinc/49/54/52/786495452.db2.gz HQOVCVWBXUHLNZ-UHFFFAOYSA-N 1 0 338.397 -1.548 20 0 EAADRO COC(=O)CNS(=O)(=O)c1ccc(-n2nnnc2C[NH3+])nc1 ZINC001168920992 786495482 /nfs/dbraw/zinc/49/54/82/786495482.db2.gz OMASQYTVFXUQAG-UHFFFAOYSA-N 1 0 327.326 -2.033 20 0 EAADRO CN1CCN(S(=O)(=O)c2ccc(-n3nnnc3C[NH3+])nc2)CC1 ZINC001168921118 786495431 /nfs/dbraw/zinc/49/54/31/786495431.db2.gz RUPKJBORZOGODC-UHFFFAOYSA-N 1 0 338.397 -1.548 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)c1cc2ncccn2n1 ZINC001168923101 786495384 /nfs/dbraw/zinc/49/53/84/786495384.db2.gz KJZRCKBGODWSDH-UHFFFAOYSA-N 1 0 345.363 -1.009 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cc2ncccn2n1 ZINC001168924125 786495393 /nfs/dbraw/zinc/49/53/93/786495393.db2.gz XOZNAGNRSRHMKI-UHFFFAOYSA-N 1 0 340.409 -1.012 20 0 EAADRO COC(=O)Cc1cc(-n2nnnc2C[NH3+])ccc1S(N)(=O)=O ZINC001168924487 786495213 /nfs/dbraw/zinc/49/52/13/786495213.db2.gz ZNDMGFGJOCNFFI-UHFFFAOYSA-N 1 0 326.338 -1.516 20 0 EAADRO O=C1NC(=O)C2(CC[NH+](C[C@H](O)CC3(O)CCOCC3)CC2)N1 ZINC001168933955 786495470 /nfs/dbraw/zinc/49/54/70/786495470.db2.gz SWDHNSRXWNLHPI-LLVKDONJSA-N 1 0 327.381 -1.047 20 0 EAADRO O=C1NC(=O)C2(CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)N1 ZINC001168933958 786494678 /nfs/dbraw/zinc/49/46/78/786494678.db2.gz SWDHNSRXWNLHPI-NSHDSACASA-N 1 0 327.381 -1.047 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)c2ncccn2)C1 ZINC001168953457 786496582 /nfs/dbraw/zinc/49/65/82/786496582.db2.gz GQDWCCKOZUCXSC-GFCCVEGCSA-N 1 0 348.407 -1.090 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)c2ncccn2)C1 ZINC001168953458 786496651 /nfs/dbraw/zinc/49/66/51/786496651.db2.gz GQDWCCKOZUCXSC-LBPRGKRZSA-N 1 0 348.407 -1.090 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)c2ncccn2)cc(=O)n(C)c1=O ZINC001168953822 786495844 /nfs/dbraw/zinc/49/58/44/786495844.db2.gz NMRWVYWOFXTVHU-UHFFFAOYSA-N 1 0 332.364 -1.216 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1ncccn1)NCC(=O)N1CCCC1 ZINC001168953839 786496218 /nfs/dbraw/zinc/49/62/18/786496218.db2.gz OCJYSHMMTSRNOB-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1ncccn1)C(=O)N(C)C ZINC001168954092 786496629 /nfs/dbraw/zinc/49/66/29/786496629.db2.gz UECHXEMDJCGHCB-LLVKDONJSA-N 1 0 336.396 -1.221 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1ncccn1)C(=O)N(C)C ZINC001168954093 786495420 /nfs/dbraw/zinc/49/54/20/786495420.db2.gz UECHXEMDJCGHCB-NSHDSACASA-N 1 0 336.396 -1.221 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCCNC(=O)c2ncccn2)CC1 ZINC001168954191 786494723 /nfs/dbraw/zinc/49/47/23/786494723.db2.gz VPMBDSQTJFNWSP-UHFFFAOYSA-N 1 0 348.407 -1.090 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)c2ncccn2)CC1 ZINC001168954492 786495692 /nfs/dbraw/zinc/49/56/92/786495692.db2.gz WLQSOUNMEWTWIG-UHFFFAOYSA-N 1 0 348.407 -1.123 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ncccn1 ZINC001168954594 786496670 /nfs/dbraw/zinc/49/66/70/786496670.db2.gz ZBCSKVYYMBRMCW-LLVKDONJSA-N 1 0 335.364 -1.304 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ncccn1 ZINC001168954597 786496324 /nfs/dbraw/zinc/49/63/24/786496324.db2.gz ZBCSKVYYMBRMCW-NSHDSACASA-N 1 0 335.364 -1.304 20 0 EAADRO COC(=O)c1cnc(-n2nc(CC[NH3+])nc2C)c(S(N)(=O)=O)c1 ZINC001168986600 786498046 /nfs/dbraw/zinc/49/80/46/786498046.db2.gz YUKIJCSCMUPOLI-UHFFFAOYSA-N 1 0 340.365 -1.094 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cccnn1 ZINC001168988542 786497197 /nfs/dbraw/zinc/49/71/97/786497197.db2.gz DWXUJFPSROKSBQ-LLVKDONJSA-N 1 0 335.364 -1.304 20 0 EAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cccnn1 ZINC001168988543 786497463 /nfs/dbraw/zinc/49/74/63/786497463.db2.gz DWXUJFPSROKSBQ-NSHDSACASA-N 1 0 335.364 -1.304 20 0 EAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCCNC(=O)c2cccnn2)CC1 ZINC001168989580 786498033 /nfs/dbraw/zinc/49/80/33/786498033.db2.gz SWIGGTYGSLFVNP-UHFFFAOYSA-N 1 0 348.407 -1.090 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001168992087 786496719 /nfs/dbraw/zinc/49/67/19/786496719.db2.gz JAVLSRONXXFHSP-NXEZZACHSA-N 1 0 329.401 -1.030 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001168992088 786495833 /nfs/dbraw/zinc/49/58/33/786495833.db2.gz JAVLSRONXXFHSP-UWVGGRQHSA-N 1 0 329.401 -1.030 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001168992089 786496649 /nfs/dbraw/zinc/49/66/49/786496649.db2.gz JAVLSRONXXFHSP-VHSXEESVSA-N 1 0 329.401 -1.030 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001168992090 786495747 /nfs/dbraw/zinc/49/57/47/786495747.db2.gz JAVLSRONXXFHSP-ZJUUUORDSA-N 1 0 329.401 -1.030 20 0 EAADRO Cn1c(C[NH2+]CCCNC(=O)c2cccnn2)cc(=O)n(C)c1=O ZINC001169015866 786495773 /nfs/dbraw/zinc/49/57/73/786495773.db2.gz FQHMXLWUAGXQKZ-UHFFFAOYSA-N 1 0 332.364 -1.216 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1cccnn1)C(=O)N(C)C ZINC001169015949 786496545 /nfs/dbraw/zinc/49/65/45/786496545.db2.gz GNNRVSHPPWTLAI-LLVKDONJSA-N 1 0 336.396 -1.221 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1cccnn1)C(=O)N(C)C ZINC001169015950 786496269 /nfs/dbraw/zinc/49/62/69/786496269.db2.gz GNNRVSHPPWTLAI-NSHDSACASA-N 1 0 336.396 -1.221 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cccnn1)NCC(=O)N1CCCC1 ZINC001169016081 786496449 /nfs/dbraw/zinc/49/64/49/786496449.db2.gz KCDIQRZZHPQECQ-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)c2cccnn2)C1 ZINC001169016488 786497868 /nfs/dbraw/zinc/49/78/68/786497868.db2.gz RVSRCJAHLBFRHO-GFCCVEGCSA-N 1 0 348.407 -1.090 20 0 EAADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)c2cccnn2)C1 ZINC001169016489 786497976 /nfs/dbraw/zinc/49/79/76/786497976.db2.gz RVSRCJAHLBFRHO-LBPRGKRZSA-N 1 0 348.407 -1.090 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)c2cccnn2)CC1 ZINC001169016566 786497846 /nfs/dbraw/zinc/49/78/46/786497846.db2.gz VZEAMHFPZAOLKS-UHFFFAOYSA-N 1 0 348.407 -1.123 20 0 EAADRO C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)CNC(N)=O ZINC001169017152 786498005 /nfs/dbraw/zinc/49/80/05/786498005.db2.gz HMIUWASXSFQTTR-LLVKDONJSA-N 1 0 328.417 -1.056 20 0 EAADRO C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)CNC(N)=O ZINC001169017153 786499244 /nfs/dbraw/zinc/49/92/44/786499244.db2.gz HMIUWASXSFQTTR-NSHDSACASA-N 1 0 328.417 -1.056 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CNC(N)=O ZINC001169018389 786499381 /nfs/dbraw/zinc/49/93/81/786499381.db2.gz XKKDSJQJJUFLHX-CHWSQXEVSA-N 1 0 348.444 -1.057 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CNC(N)=O ZINC001169018391 786499339 /nfs/dbraw/zinc/49/93/39/786499339.db2.gz XKKDSJQJJUFLHX-OLZOCXBDSA-N 1 0 348.444 -1.057 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169018393 786499117 /nfs/dbraw/zinc/49/91/17/786499117.db2.gz XKKDSJQJJUFLHX-QWHCGFSZSA-N 1 0 348.444 -1.057 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169018394 786498845 /nfs/dbraw/zinc/49/88/45/786498845.db2.gz XKKDSJQJJUFLHX-STQMWFEESA-N 1 0 348.444 -1.057 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CNC(N)=O ZINC001169026861 786499264 /nfs/dbraw/zinc/49/92/64/786499264.db2.gz BCJHJAJIPFIZAP-BDAKNGLRSA-N 1 0 330.389 -1.497 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O)C(=O)NC(N)=O ZINC001169026862 786498555 /nfs/dbraw/zinc/49/85/55/786498555.db2.gz BCJHJAJIPFIZAP-DTWKUNHWSA-N 1 0 330.389 -1.497 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CNC(N)=O ZINC001169026863 786498780 /nfs/dbraw/zinc/49/87/80/786498780.db2.gz BCJHJAJIPFIZAP-IUCAKERBSA-N 1 0 330.389 -1.497 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CNC(N)=O ZINC001169026864 786498772 /nfs/dbraw/zinc/49/87/72/786498772.db2.gz BCJHJAJIPFIZAP-RKDXNWHRSA-N 1 0 330.389 -1.497 20 0 EAADRO C[C@@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001169027128 786498065 /nfs/dbraw/zinc/49/80/65/786498065.db2.gz DHRROBWHUUIPEV-JTQLQIEISA-N 1 0 342.400 -1.529 20 0 EAADRO C[C@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)CNC(N)=O ZINC001169027137 786497444 /nfs/dbraw/zinc/49/74/44/786497444.db2.gz DHRROBWHUUIPEV-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)CNC(N)=O ZINC001169027979 786498021 /nfs/dbraw/zinc/49/80/21/786498021.db2.gz LKTRUZHLTSHWBX-JTQLQIEISA-N 1 0 337.446 -1.532 20 0 EAADRO C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)CNC(N)=O ZINC001169027980 786497313 /nfs/dbraw/zinc/49/73/13/786497313.db2.gz LKTRUZHLTSHWBX-SNVBAGLBSA-N 1 0 337.446 -1.532 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CNC(N)=O ZINC001169029278 786497655 /nfs/dbraw/zinc/49/76/55/786497655.db2.gz RSRFWHMWSYXGHG-NXEZZACHSA-N 1 0 344.416 -1.237 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169029279 786497482 /nfs/dbraw/zinc/49/74/82/786497482.db2.gz RSRFWHMWSYXGHG-UWVGGRQHSA-N 1 0 344.416 -1.237 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169029281 786498079 /nfs/dbraw/zinc/49/80/79/786498079.db2.gz RSRFWHMWSYXGHG-VHSXEESVSA-N 1 0 344.416 -1.237 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CNC(N)=O ZINC001169029283 786497719 /nfs/dbraw/zinc/49/77/19/786497719.db2.gz RSRFWHMWSYXGHG-ZJUUUORDSA-N 1 0 344.416 -1.237 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1nccs1)N1CCNC(=O)C1 ZINC001169042344 786497896 /nfs/dbraw/zinc/49/78/96/786497896.db2.gz ZXRQQYAHLFNQFH-UHFFFAOYSA-N 1 0 325.394 -1.189 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cn1cnnn1 ZINC001169045345 786497884 /nfs/dbraw/zinc/49/78/84/786497884.db2.gz PSIBULXJXWMMCG-JTQLQIEISA-N 1 0 337.388 -1.440 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cn1cnnn1 ZINC001169045347 786497399 /nfs/dbraw/zinc/49/73/99/786497399.db2.gz PSIBULXJXWMMCG-SNVBAGLBSA-N 1 0 337.388 -1.440 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cnnn1 ZINC001169053406 786499279 /nfs/dbraw/zinc/49/92/79/786499279.db2.gz CUNNHXWZHBBSFY-JTQLQIEISA-N 1 0 340.388 -1.607 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001169053409 786499260 /nfs/dbraw/zinc/49/92/60/786499260.db2.gz CUNNHXWZHBBSFY-SNVBAGLBSA-N 1 0 340.388 -1.607 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cnnn1 ZINC001169053432 786499488 /nfs/dbraw/zinc/49/94/88/786499488.db2.gz DAUQHQHZYCSKQR-SECBINFHSA-N 1 0 326.361 -1.867 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cnnn1 ZINC001169053436 786498704 /nfs/dbraw/zinc/49/87/04/786498704.db2.gz DAUQHQHZYCSKQR-VIFPVBQESA-N 1 0 326.361 -1.867 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001169053675 786499030 /nfs/dbraw/zinc/49/90/30/786499030.db2.gz HBMQLUQMDNLSON-GHMZBOCLSA-N 1 0 337.384 -1.257 20 0 EAADRO C[C@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001169053676 786498871 /nfs/dbraw/zinc/49/88/71/786498871.db2.gz HBMQLUQMDNLSON-MNOVXSKESA-N 1 0 337.384 -1.257 20 0 EAADRO C[C@@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001169053677 786499067 /nfs/dbraw/zinc/49/90/67/786499067.db2.gz HBMQLUQMDNLSON-QWRGUYRKSA-N 1 0 337.384 -1.257 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001169053678 786499151 /nfs/dbraw/zinc/49/91/51/786499151.db2.gz HBMQLUQMDNLSON-WDEREUQCSA-N 1 0 337.384 -1.257 20 0 EAADRO C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001169053871 786498817 /nfs/dbraw/zinc/49/88/17/786498817.db2.gz JURKDJJYDAUUBQ-LLVKDONJSA-N 1 0 332.430 -1.018 20 0 EAADRO C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001169053872 786499360 /nfs/dbraw/zinc/49/93/60/786499360.db2.gz JURKDJJYDAUUBQ-NSHDSACASA-N 1 0 332.430 -1.018 20 0 EAADRO C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001169054745 786499295 /nfs/dbraw/zinc/49/92/95/786499295.db2.gz UMYCFIGNMMJZMT-LLVKDONJSA-N 1 0 347.445 -1.513 20 0 EAADRO C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001169054746 786499377 /nfs/dbraw/zinc/49/93/77/786499377.db2.gz UMYCFIGNMMJZMT-NSHDSACASA-N 1 0 347.445 -1.513 20 0 EAADRO C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)Cn1cnnn1 ZINC001169055091 786499404 /nfs/dbraw/zinc/49/94/04/786499404.db2.gz YEOCCQOMQKIDBK-GFCCVEGCSA-N 1 0 338.416 -1.037 20 0 EAADRO C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)Cn1cnnn1 ZINC001169055092 786499210 /nfs/dbraw/zinc/49/92/10/786499210.db2.gz YEOCCQOMQKIDBK-LBPRGKRZSA-N 1 0 338.416 -1.037 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N1CCOCC1)NC(=O)CNC(N)=O ZINC001169061568 786499163 /nfs/dbraw/zinc/49/91/63/786499163.db2.gz GBLGLWYAELQBJY-GFCCVEGCSA-N 1 0 343.428 -1.222 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N1CCOCC1)NC(=O)CNC(N)=O ZINC001169061569 786498957 /nfs/dbraw/zinc/49/89/57/786498957.db2.gz GBLGLWYAELQBJY-LBPRGKRZSA-N 1 0 343.428 -1.222 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169062211 786499552 /nfs/dbraw/zinc/49/95/52/786499552.db2.gz KFPSTLSBBLHRHY-JTQLQIEISA-N 1 0 344.416 -1.235 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CNC(N)=O ZINC001169062212 786499288 /nfs/dbraw/zinc/49/92/88/786499288.db2.gz KFPSTLSBBLHRHY-SNVBAGLBSA-N 1 0 344.416 -1.235 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CNC(N)=O ZINC001169063169 786498499 /nfs/dbraw/zinc/49/84/99/786498499.db2.gz NWUAHPOJEQCJFW-SECBINFHSA-N 1 0 327.389 -1.459 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CNC(N)=O ZINC001169063170 786499311 /nfs/dbraw/zinc/49/93/11/786499311.db2.gz NWUAHPOJEQCJFW-VIFPVBQESA-N 1 0 327.389 -1.459 20 0 EAADRO COc1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)o1 ZINC001169068038 786498861 /nfs/dbraw/zinc/49/88/61/786498861.db2.gz OAAVJSOATKCACJ-UHFFFAOYSA-N 1 0 338.364 -1.044 20 0 EAADRO COC(=O)C(C(=O)OC)c1cncc(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001169071239 786499430 /nfs/dbraw/zinc/49/94/30/786499430.db2.gz IOBGQQHJTTZDSV-SECBINFHSA-N 1 0 349.347 -1.046 20 0 EAADRO COc1nc(-n2cncc2C[C@@H]([NH3+])CO)nc(N2CCOCC2)n1 ZINC001169071850 786498904 /nfs/dbraw/zinc/49/89/04/786498904.db2.gz NKIAYYPTKCFWBZ-SNVBAGLBSA-N 1 0 335.368 -1.235 20 0 EAADRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc(C(=O)N2CCNC(=O)C2)cn1 ZINC001169072558 786499015 /nfs/dbraw/zinc/49/90/15/786499015.db2.gz OTFRHTNIQPPNKM-GFCCVEGCSA-N 1 0 344.375 -1.299 20 0 EAADRO CN1CCN(c2cc(-n3cncc3C[C@@H]([NH3+])CO)ncn2)CC1=O ZINC001169072678 786499391 /nfs/dbraw/zinc/49/93/91/786499391.db2.gz RLTRPUCUIGDNQF-LLVKDONJSA-N 1 0 331.380 -1.197 20 0 EAADRO CS(=O)(=O)CCn1cc(-n2cncc2C[C@@H]([NH3+])CO)ccc1=O ZINC001169073717 786499184 /nfs/dbraw/zinc/49/91/84/786499184.db2.gz ABEOJHWQSHBREH-LLVKDONJSA-N 1 0 340.405 -1.059 20 0 EAADRO Cc1nc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)c(C)o1 ZINC001169074166 786499156 /nfs/dbraw/zinc/49/91/56/786499156.db2.gz CJBOIXBPOARDQS-UHFFFAOYSA-N 1 0 337.380 -1.041 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)Cn1cnnn1 ZINC001169074827 786498763 /nfs/dbraw/zinc/49/87/63/786498763.db2.gz JKWKMICGZABFPQ-NXEZZACHSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cnnn1 ZINC001169074832 786498686 /nfs/dbraw/zinc/49/86/86/786498686.db2.gz JKWKMICGZABFPQ-UWVGGRQHSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cnnn1)C(=O)NC(N)=O ZINC001169074834 786498877 /nfs/dbraw/zinc/49/88/77/786498877.db2.gz JKWKMICGZABFPQ-VHSXEESVSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cnnn1 ZINC001169074836 786500205 /nfs/dbraw/zinc/50/02/05/786500205.db2.gz JKWKMICGZABFPQ-ZJUUUORDSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CNC(N)=O ZINC001169074846 786500429 /nfs/dbraw/zinc/50/04/29/786500429.db2.gz JUMNSNNKXBJMMB-NXEZZACHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CNC(N)=O ZINC001169074848 786500637 /nfs/dbraw/zinc/50/06/37/786500637.db2.gz JUMNSNNKXBJMMB-UWVGGRQHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CNC(N)=O ZINC001169074851 786500262 /nfs/dbraw/zinc/50/02/62/786500262.db2.gz JUMNSNNKXBJMMB-VHSXEESVSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CNC(N)=O ZINC001169074854 786500416 /nfs/dbraw/zinc/50/04/16/786500416.db2.gz JUMNSNNKXBJMMB-ZJUUUORDSA-N 1 0 327.385 -1.276 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CNC(N)=O ZINC001169074855 786500339 /nfs/dbraw/zinc/50/03/39/786500339.db2.gz JXKUFFQTPLLOBO-SECBINFHSA-N 1 0 330.389 -1.625 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169074856 786500563 /nfs/dbraw/zinc/50/05/63/786500563.db2.gz JXKUFFQTPLLOBO-VIFPVBQESA-N 1 0 330.389 -1.625 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001169081887 786500336 /nfs/dbraw/zinc/50/03/36/786500336.db2.gz KAEUGSDKZGXFAR-UHFFFAOYSA-N 1 0 346.409 -1.121 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001169082095 786500384 /nfs/dbraw/zinc/50/03/84/786500384.db2.gz MEJFDHIWWYMXKG-JTQLQIEISA-N 1 0 328.369 -1.158 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001169082100 786500647 /nfs/dbraw/zinc/50/06/47/786500647.db2.gz MEJFDHIWWYMXKG-SNVBAGLBSA-N 1 0 328.369 -1.158 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001169082141 786500171 /nfs/dbraw/zinc/50/01/71/786500171.db2.gz MVPCBHCCAXBADO-SECBINFHSA-N 1 0 325.369 -1.031 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001169082146 786500815 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786505650 /nfs/dbraw/zinc/50/56/50/786505650.db2.gz KPWXNTJORMCIGH-VHSXEESVSA-N 1 0 344.368 -2.596 20 0 EAADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CO1 ZINC001169370621 786505641 /nfs/dbraw/zinc/50/56/41/786505641.db2.gz KPWXNTJORMCIGH-ZJUUUORDSA-N 1 0 344.368 -2.596 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001169396303 786507312 /nfs/dbraw/zinc/50/73/12/786507312.db2.gz GUNUOYHHUOWXJY-JTQLQIEISA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001169396304 786507340 /nfs/dbraw/zinc/50/73/40/786507340.db2.gz GUNUOYHHUOWXJY-SNVBAGLBSA-N 1 0 341.412 -1.028 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(=O)NCC(F)(F)F ZINC001169443173 786509049 /nfs/dbraw/zinc/50/90/49/786509049.db2.gz CCUZUWRGHYJBFR-UHFFFAOYSA-N 1 0 341.290 -1.784 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)NCC(F)(F)F ZINC001169443230 786509291 /nfs/dbraw/zinc/50/92/91/786509291.db2.gz DDOXGANZSSAEAK-SSDOTTSWSA-N 1 0 338.286 -1.434 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)NCC(F)(F)F ZINC001169443233 786509118 /nfs/dbraw/zinc/50/91/18/786509118.db2.gz DDOXGANZSSAEAK-ZETCQYMHSA-N 1 0 338.286 -1.434 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(=O)NCC1CC1 ZINC001169443293 786509522 /nfs/dbraw/zinc/50/95/22/786509522.db2.gz FHLKFDVZPTYVMU-SECBINFHSA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C(=O)NCC1CC1 ZINC001169443295 786508794 /nfs/dbraw/zinc/50/87/94/786508794.db2.gz FHLKFDVZPTYVMU-VIFPVBQESA-N 1 0 327.385 -1.547 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)C(=O)NCC1CC1)NC[C@H]1CCOC1 ZINC001169443914 786508935 /nfs/dbraw/zinc/50/89/35/786508935.db2.gz MENBOMRNLYFESI-CYBMUJFWSA-N 1 0 340.424 -1.239 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)C(=O)NCC1CC1)NC[C@@H]1CCOC1 ZINC001169443916 786509482 /nfs/dbraw/zinc/50/94/82/786509482.db2.gz MENBOMRNLYFESI-ZDUSSCGKSA-N 1 0 340.424 -1.239 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)C(=O)NCC(F)(F)F)nc1=O ZINC001169443931 786509197 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CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC(N)=O ZINC001169926715 786561992 /nfs/dbraw/zinc/56/19/92/786561992.db2.gz AWINVHQBIVMWGP-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169935906 786560867 /nfs/dbraw/zinc/56/08/67/786560867.db2.gz OYUTYTDFZYINIA-JTQLQIEISA-N 1 0 328.369 -2.021 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169935908 786560498 /nfs/dbraw/zinc/56/04/98/786560498.db2.gz OYUTYTDFZYINIA-SNVBAGLBSA-N 1 0 328.369 -2.021 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(N)=O ZINC001169936534 786561138 /nfs/dbraw/zinc/56/11/38/786561138.db2.gz CSEZHBLEZKNKRE-LLVKDONJSA-N 1 0 341.412 -1.915 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC(N)=O ZINC001169936536 786560320 /nfs/dbraw/zinc/56/03/20/786560320.db2.gz CSEZHBLEZKNKRE-NSHDSACASA-N 1 0 341.412 -1.915 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N1CCOCC1)NC(=O)CC(N)=O ZINC001169936623 786560804 /nfs/dbraw/zinc/56/08/04/786560804.db2.gz 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CC1(C)CC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC(C)(C)N1O ZINC001169988372 786596759 /nfs/dbraw/zinc/59/67/59/786596759.db2.gz RYQYISGUSZRDJV-UHFFFAOYSA-N 1 0 343.428 -1.296 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001169992804 786600773 /nfs/dbraw/zinc/60/07/73/786600773.db2.gz XRIVGGRZNJWHNP-NEPJUHHUSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001169992805 786601068 /nfs/dbraw/zinc/60/10/68/786601068.db2.gz XRIVGGRZNJWHNP-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001169992806 786602089 /nfs/dbraw/zinc/60/20/89/786602089.db2.gz XRIVGGRZNJWHNP-RYUDHWBXSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001169992807 786601671 /nfs/dbraw/zinc/60/16/71/786601671.db2.gz XRIVGGRZNJWHNP-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1c[nH]nc1C1CC1)N1CCNC(=O)C1 ZINC001170001208 786606606 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COc1ncc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001170084017 786693827 /nfs/dbraw/zinc/69/38/27/786693827.db2.gz TXWWIRXNALEHRB-UHFFFAOYSA-N 1 0 331.398 -1.256 20 0 EAADRO Cc1cc(=O)c(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)c[nH]1 ZINC001170088988 786702049 /nfs/dbraw/zinc/70/20/49/786702049.db2.gz IPNCGIZWZLDCFY-UHFFFAOYSA-N 1 0 349.391 -1.649 20 0 EAADRO Cc1cc(=O)c(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)c[nH]1 ZINC001170096822 786707547 /nfs/dbraw/zinc/70/75/47/786707547.db2.gz FFVGXBPZTOLCEH-UHFFFAOYSA-N 1 0 330.410 -1.058 20 0 EAADRO Cc1cc(=O)c(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)c[nH]1 ZINC001170097349 786707236 /nfs/dbraw/zinc/70/72/36/786707236.db2.gz YSDAUCAFSKBBDC-UHFFFAOYSA-N 1 0 335.364 -1.055 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001170152550 786754626 /nfs/dbraw/zinc/75/46/26/786754626.db2.gz APRINHAJKMPVMC-GHMZBOCLSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001170152552 786754601 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ZINC001170372900 786786767 /nfs/dbraw/zinc/78/67/67/786786767.db2.gz QXQZKQUPPFUJQD-UWVGGRQHSA-N 1 0 344.416 -1.237 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001170372901 786787685 /nfs/dbraw/zinc/78/76/85/786787685.db2.gz QXQZKQUPPFUJQD-ZJUUUORDSA-N 1 0 344.416 -1.237 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H](C)NC(N)=O ZINC001170372936 786788343 /nfs/dbraw/zinc/78/83/43/786788343.db2.gz RRSZJDLPYRHBAA-UWVGGRQHSA-N 1 0 341.416 -1.070 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H](C)NC(N)=O ZINC001170372937 786787913 /nfs/dbraw/zinc/78/79/13/786787913.db2.gz RRSZJDLPYRHBAA-ZJUUUORDSA-N 1 0 341.416 -1.070 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C)NC(N)=O ZINC001170373191 786788565 /nfs/dbraw/zinc/78/85/65/786788565.db2.gz TWNLAGDAOCOPTR-BDAKNGLRSA-N 1 0 330.389 -1.497 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C)NC(N)=O ZINC001170373194 786788487 /nfs/dbraw/zinc/78/84/87/786788487.db2.gz TWNLAGDAOCOPTR-IUCAKERBSA-N 1 0 330.389 -1.497 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CNC(=O)c1cscn1 ZINC001170378502 786787609 /nfs/dbraw/zinc/78/76/09/786787609.db2.gz ACJHFYIURJOQDQ-JTQLQIEISA-N 1 0 330.410 -1.024 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CNC(=O)c1cscn1 ZINC001170378503 786788478 /nfs/dbraw/zinc/78/84/78/786788478.db2.gz ACJHFYIURJOQDQ-SNVBAGLBSA-N 1 0 330.410 -1.024 20 0 EAADRO O=C(CNC(=O)c1cscn1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001170378531 786788552 /nfs/dbraw/zinc/78/85/52/786788552.db2.gz BKTZQYCZSKMGQQ-SECBINFHSA-N 1 0 325.394 -1.143 20 0 EAADRO O=C(CNC(=O)c1cscn1)NCCC[NH2+][C@H]1CCNC1=O ZINC001170378532 786788032 /nfs/dbraw/zinc/78/80/32/786788032.db2.gz BKTZQYCZSKMGQQ-VIFPVBQESA-N 1 0 325.394 -1.143 20 0 EAADRO O=C(CNC(=O)c1cscn1)NCCC[NH2+]CCOCCO ZINC001170378607 786787909 /nfs/dbraw/zinc/78/79/09/786787909.db2.gz DCKGYWGZKRDTLS-UHFFFAOYSA-N 1 0 330.410 -1.022 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1cscn1 ZINC001170378609 786788162 /nfs/dbraw/zinc/78/81/62/786788162.db2.gz DDZAWWGGQAPBKS-UHFFFAOYSA-N 1 0 342.381 -1.836 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001170400884 786787618 /nfs/dbraw/zinc/78/76/18/786787618.db2.gz CXMBQOPNTXYZKB-JTQLQIEISA-N 1 0 348.425 -1.508 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001170400885 786788171 /nfs/dbraw/zinc/78/81/71/786788171.db2.gz CXMBQOPNTXYZKB-SNVBAGLBSA-N 1 0 348.425 -1.508 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001170404837 786788240 /nfs/dbraw/zinc/78/82/40/786788240.db2.gz VMELFFXAYWNISO-JTQLQIEISA-N 1 0 341.412 -1.076 20 0 EAADRO CC(=O)N1CC(C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001170404838 786788497 /nfs/dbraw/zinc/78/84/97/786788497.db2.gz VMELFFXAYWNISO-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO CC(=O)N1CC[C@](C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001170440237 786824858 /nfs/dbraw/zinc/82/48/58/786824858.db2.gz HGNIXHOLYLHVJJ-AWEZNQCLSA-N 1 0 327.385 -1.464 20 0 EAADRO CC(=O)N1CC[C@@](C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001170440238 786824084 /nfs/dbraw/zinc/82/40/84/786824084.db2.gz HGNIXHOLYLHVJJ-CQSZACIVSA-N 1 0 327.385 -1.464 20 0 EAADRO CC(=O)N1CC[C@](C)(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001170441184 786826741 /nfs/dbraw/zinc/82/67/41/786826741.db2.gz NJRBJCAGYDZPEX-HNNXBMFYSA-N 1 0 338.412 -1.037 20 0 EAADRO CC(=O)N1CC[C@@](C)(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001170441185 786826720 /nfs/dbraw/zinc/82/67/20/786826720.db2.gz NJRBJCAGYDZPEX-OAHLLOKOSA-N 1 0 338.412 -1.037 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001170442683 786828713 /nfs/dbraw/zinc/82/87/13/786828713.db2.gz YWJFNDNJXBQHRE-HNNXBMFYSA-N 1 0 341.412 -1.204 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001170442685 786829499 /nfs/dbraw/zinc/82/94/99/786829499.db2.gz YWJFNDNJXBQHRE-OAHLLOKOSA-N 1 0 341.412 -1.204 20 0 EAADRO CC(=O)N1CC[C@](C)(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001170449315 786841085 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341.412 -1.076 20 0 EAADRO Cc1cn2ccnc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c2n1 ZINC001170450405 786844121 /nfs/dbraw/zinc/84/41/21/786844121.db2.gz XYSKAXDZLBYSNF-UHFFFAOYSA-N 1 0 333.352 -1.058 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@@]12CCOC2)N1CCNC(=O)C1 ZINC001170460435 786868651 /nfs/dbraw/zinc/86/86/51/786868651.db2.gz ZVBMZNSGDTZPGQ-BLLLJJGKSA-N 1 0 338.408 -1.533 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@]12CCOC2)N1CCNC(=O)C1 ZINC001170460437 786868332 /nfs/dbraw/zinc/86/83/32/786868332.db2.gz ZVBMZNSGDTZPGQ-LRDDRELGSA-N 1 0 338.408 -1.533 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1C[C@@]12CCOC2)N1CCNC(=O)C1 ZINC001170460439 786868579 /nfs/dbraw/zinc/86/85/79/786868579.db2.gz ZVBMZNSGDTZPGQ-MLGOLLRUSA-N 1 0 338.408 -1.533 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1C[C@]12CCOC2)N1CCNC(=O)C1 ZINC001170460441 786869249 /nfs/dbraw/zinc/86/92/49/786869249.db2.gz ZVBMZNSGDTZPGQ-WBMJQRKESA-N 1 0 338.408 -1.533 20 0 EAADRO O=C1NC(=O)[C@@H]2C[N@H+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC001170470188 786895794 /nfs/dbraw/zinc/89/57/94/786895794.db2.gz XVCRBTGSKCIRJY-WQAKAFBOSA-N 1 0 343.339 -1.152 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001170486507 786927225 /nfs/dbraw/zinc/92/72/25/786927225.db2.gz CZIHEJAONPKHAV-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001170486508 786927352 /nfs/dbraw/zinc/92/73/52/786927352.db2.gz CZIHEJAONPKHAV-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001170487418 786932090 /nfs/dbraw/zinc/93/20/90/786932090.db2.gz LCUOOTWVEUJDRE-SECBINFHSA-N 1 0 339.356 -1.856 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001170487423 786933436 /nfs/dbraw/zinc/93/34/36/786933436.db2.gz LCUOOTWVEUJDRE-VIFPVBQESA-N 1 0 339.356 -1.856 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001170488464 786935407 /nfs/dbraw/zinc/93/54/07/786935407.db2.gz QKZKUOCIHRFRIG-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001170488465 786934370 /nfs/dbraw/zinc/93/43/70/786934370.db2.gz QKZKUOCIHRFRIG-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)c1cn([C@@H]2CCOC2)nn1 ZINC001170488502 786935401 /nfs/dbraw/zinc/93/54/01/786935401.db2.gz QXEFQXXFRYCMOC-GFCCVEGCSA-N 1 0 327.385 -1.042 20 0 EAADRO O=C(NCCC[NH2+]CCOCCO)c1cn([C@H]2CCOC2)nn1 ZINC001170488504 786934360 /nfs/dbraw/zinc/93/43/60/786934360.db2.gz QXEFQXXFRYCMOC-LBPRGKRZSA-N 1 0 327.385 -1.042 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001170492432 786944006 /nfs/dbraw/zinc/94/40/06/786944006.db2.gz IJQCUEWTGMSKMC-NXEZZACHSA-N 1 0 343.384 -1.185 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001170492433 786944243 /nfs/dbraw/zinc/94/42/43/786944243.db2.gz IJQCUEWTGMSKMC-UWVGGRQHSA-N 1 0 343.384 -1.185 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001170492434 786943305 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CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001170519884 787003080 /nfs/dbraw/zinc/00/30/80/787003080.db2.gz HORGGEVZBOWHGZ-QWRGUYRKSA-N 1 0 327.389 -1.691 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1ccn(C)n1 ZINC001170519905 787003477 /nfs/dbraw/zinc/00/34/77/787003477.db2.gz IGIORVFLILSWRZ-NSHDSACASA-N 1 0 349.399 -1.793 20 0 EAADRO COCCCC[NH2+]CCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001170519908 787001987 /nfs/dbraw/zinc/00/19/87/787001987.db2.gz IHMYIRPZKXQAPI-LBPRGKRZSA-N 1 0 341.416 -1.300 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]CCOCCO ZINC001170519910 787003033 /nfs/dbraw/zinc/00/30/33/787003033.db2.gz ITDOAPZFBGMXJK-NSHDSACASA-N 1 0 343.388 -2.717 20 0 EAADRO COCCCn1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001170519939 787004213 /nfs/dbraw/zinc/00/42/13/787004213.db2.gz JGKCOTGUZAEVNL-UHFFFAOYSA-N 1 0 340.384 -1.176 20 0 EAADRO CCOCCC[NH2+]CCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001170519971 787005281 /nfs/dbraw/zinc/00/52/81/787005281.db2.gz 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NC(=O)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001170770694 787257635 /nfs/dbraw/zinc/25/76/35/787257635.db2.gz FELBVAUKMUDRJZ-MNOVXSKESA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001170770695 787257407 /nfs/dbraw/zinc/25/74/07/787257407.db2.gz FELBVAUKMUDRJZ-QWRGUYRKSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001170770696 787257497 /nfs/dbraw/zinc/25/74/97/787257497.db2.gz FELBVAUKMUDRJZ-WDEREUQCSA-N 1 0 339.396 -1.179 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001170771123 787257488 /nfs/dbraw/zinc/25/74/88/787257488.db2.gz HXCYSHMYEDGIFN-JTQLQIEISA-N 1 0 342.400 -1.529 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001170771124 787257119 /nfs/dbraw/zinc/25/71/19/787257119.db2.gz HXCYSHMYEDGIFN-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(N)=O)nc1=O ZINC001170771179 787257591 /nfs/dbraw/zinc/25/75/91/787257591.db2.gz JJNHIZTXWABGGR-JTQLQIEISA-N 1 0 339.400 -1.363 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(N)=O)nc1=O ZINC001170771180 787257705 /nfs/dbraw/zinc/25/77/05/787257705.db2.gz JJNHIZTXWABGGR-SNVBAGLBSA-N 1 0 339.400 -1.363 20 0 EAADRO COC(=O)c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)nc(S(C)(=O)=O)n1 ZINC001170772088 787257142 /nfs/dbraw/zinc/25/71/42/787257142.db2.gz HCTIWDWXRNDHQI-APPZFPTMSA-N 1 0 330.366 -1.341 20 0 EAADRO COC(=O)c1cc(N[C@H]2C[NH2+]C[C@H]2CO)nc(S(C)(=O)=O)n1 ZINC001170772089 787257700 /nfs/dbraw/zinc/25/77/00/787257700.db2.gz HCTIWDWXRNDHQI-CBAPKCEASA-N 1 0 330.366 -1.341 20 0 EAADRO COC(=O)c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)nc(S(C)(=O)=O)n1 ZINC001170772090 787257092 /nfs/dbraw/zinc/25/70/92/787257092.db2.gz HCTIWDWXRNDHQI-IONNQARKSA-N 1 0 330.366 -1.341 20 0 EAADRO COC(=O)c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc(S(C)(=O)=O)n1 ZINC001170772210 787258427 /nfs/dbraw/zinc/25/84/27/787258427.db2.gz HCTIWDWXRNDHQI-VXNVDRBHSA-N 1 0 330.366 -1.341 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001170772520 787258571 /nfs/dbraw/zinc/25/85/71/787258571.db2.gz TUOSHGNGNBYXAI-SECBINFHSA-N 1 0 328.373 -1.790 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001170772522 787258377 /nfs/dbraw/zinc/25/83/77/787258377.db2.gz TUOSHGNGNBYXAI-VIFPVBQESA-N 1 0 328.373 -1.790 20 0 EAADRO COC(=O)c1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c(S(N)(=O)=O)c1 ZINC001170775982 787260711 /nfs/dbraw/zinc/26/07/11/787260711.db2.gz FMZHKPSOLJAVFS-BDAKNGLRSA-N 1 0 330.366 -1.492 20 0 EAADRO COC(=O)c1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c(S(N)(=O)=O)c1 ZINC001170775983 787261153 /nfs/dbraw/zinc/26/11/53/787261153.db2.gz FMZHKPSOLJAVFS-DTWKUNHWSA-N 1 0 330.366 -1.492 20 0 EAADRO COC(=O)c1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c(S(N)(=O)=O)c1 ZINC001170775984 787260915 /nfs/dbraw/zinc/26/09/15/787260915.db2.gz FMZHKPSOLJAVFS-IUCAKERBSA-N 1 0 330.366 -1.492 20 0 EAADRO COC(=O)c1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c(S(N)(=O)=O)c1 ZINC001170775985 787260881 /nfs/dbraw/zinc/26/08/81/787260881.db2.gz FMZHKPSOLJAVFS-RKDXNWHRSA-N 1 0 330.366 -1.492 20 0 EAADRO COC(=O)CNS(=O)(=O)c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)nc1 ZINC001170775990 787260858 /nfs/dbraw/zinc/26/08/58/787260858.db2.gz FOGBPXVWPZURLQ-GXSJLCMTSA-N 1 0 344.393 -1.475 20 0 EAADRO COC(=O)CNS(=O)(=O)c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)nc1 ZINC001170775991 787260575 /nfs/dbraw/zinc/26/05/75/787260575.db2.gz FOGBPXVWPZURLQ-KOLCDFICSA-N 1 0 344.393 -1.475 20 0 EAADRO COC(=O)CNS(=O)(=O)c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc1 ZINC001170775992 787260701 /nfs/dbraw/zinc/26/07/01/787260701.db2.gz FOGBPXVWPZURLQ-MWLCHTKSSA-N 1 0 344.393 -1.475 20 0 EAADRO COC(=O)CNS(=O)(=O)c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)nc1 ZINC001170775993 787260939 /nfs/dbraw/zinc/26/09/39/787260939.db2.gz FOGBPXVWPZURLQ-ONGXEEELSA-N 1 0 344.393 -1.475 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]CCn1cccn1 ZINC001170783941 787269145 /nfs/dbraw/zinc/26/91/45/787269145.db2.gz BLBLVXQWKUAIQC-GFCCVEGCSA-N 1 0 349.399 -1.830 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(N)=O ZINC001170783948 787269657 /nfs/dbraw/zinc/26/96/57/787269657.db2.gz BLLJIAFMSHABTF-NXEZZACHSA-N 1 0 340.388 -2.462 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(N)=O ZINC001170783949 787268853 /nfs/dbraw/zinc/26/88/53/787268853.db2.gz BLLJIAFMSHABTF-ZJUUUORDSA-N 1 0 340.388 -2.462 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1nccn1C ZINC001170783990 787269753 /nfs/dbraw/zinc/26/97/53/787269753.db2.gz BXAOONWMNNXYHM-LLVKDONJSA-N 1 0 349.399 -1.793 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC001170784063 787269160 /nfs/dbraw/zinc/26/91/60/787269160.db2.gz DDGQRDWIZGTKDG-GFCCVEGCSA-N 1 0 346.395 -1.131 20 0 EAADRO COCCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784116 787269358 /nfs/dbraw/zinc/26/93/58/787269358.db2.gz DJJCDXADASZIJJ-LLVKDONJSA-N 1 0 327.389 -1.690 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1ccccn1 ZINC001170784125 787269253 /nfs/dbraw/zinc/26/92/53/787269253.db2.gz DOKJPWJMEAGVDY-GFCCVEGCSA-N 1 0 346.395 -1.131 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784145 787269639 /nfs/dbraw/zinc/26/96/39/787269639.db2.gz FEWDLMMFBQUTTJ-NXEZZACHSA-N 1 0 340.388 -2.592 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784146 787269257 /nfs/dbraw/zinc/26/92/57/787269257.db2.gz FEWDLMMFBQUTTJ-VHSXEESVSA-N 1 0 340.388 -2.592 20 0 EAADRO CC[C@@H](C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)OC ZINC001170784147 787269527 /nfs/dbraw/zinc/26/95/27/787269527.db2.gz FGADSRRPUFBZJE-NEPJUHHUSA-N 1 0 341.416 -1.301 20 0 EAADRO CC[C@H](C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)OC ZINC001170784148 787269295 /nfs/dbraw/zinc/26/92/95/787269295.db2.gz FGADSRRPUFBZJE-VXGBXAGGSA-N 1 0 341.416 -1.301 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001170784221 787269764 /nfs/dbraw/zinc/26/97/64/787269764.db2.gz GYBOVRFVOROCBA-DTWKUNHWSA-N 1 0 326.361 -2.853 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001170784222 787269412 /nfs/dbraw/zinc/26/94/12/787269412.db2.gz GYBOVRFVOROCBA-RKDXNWHRSA-N 1 0 326.361 -2.853 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001170784521 787269436 /nfs/dbraw/zinc/26/94/36/787269436.db2.gz HDTJBTBDDSUUDM-NEPJUHHUSA-N 1 0 339.400 -1.690 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001170784522 787269620 /nfs/dbraw/zinc/26/96/20/787269620.db2.gz HDTJBTBDDSUUDM-VXGBXAGGSA-N 1 0 339.400 -1.690 20 0 EAADRO CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784537 787269341 /nfs/dbraw/zinc/26/93/41/787269341.db2.gz HORGGEVZBOWHGZ-GHMZBOCLSA-N 1 0 327.389 -1.691 20 0 EAADRO CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784538 787269425 /nfs/dbraw/zinc/26/94/25/787269425.db2.gz HORGGEVZBOWHGZ-WDEREUQCSA-N 1 0 327.389 -1.691 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1ccn(C)n1 ZINC001170784562 787269545 /nfs/dbraw/zinc/26/95/45/787269545.db2.gz IGIORVFLILSWRZ-LLVKDONJSA-N 1 0 349.399 -1.793 20 0 EAADRO COCCCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784567 787269335 /nfs/dbraw/zinc/26/93/35/787269335.db2.gz IHMYIRPZKXQAPI-GFCCVEGCSA-N 1 0 341.416 -1.300 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]CCOCCO ZINC001170784583 787269280 /nfs/dbraw/zinc/26/92/80/787269280.db2.gz ITDOAPZFBGMXJK-LLVKDONJSA-N 1 0 343.388 -2.717 20 0 EAADRO CCOCCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784719 787268819 /nfs/dbraw/zinc/26/88/19/787268819.db2.gz JTRCMIGFUNQJNF-GFCCVEGCSA-N 1 0 341.416 -1.300 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001170784723 787269382 /nfs/dbraw/zinc/26/93/82/787269382.db2.gz KBFHAXOWDKZGEC-LLVKDONJSA-N 1 0 349.399 -1.793 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1ncccn1 ZINC001170784724 787269104 /nfs/dbraw/zinc/26/91/04/787269104.db2.gz KCRNPVYCEKJXKP-LLVKDONJSA-N 1 0 347.383 -1.736 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCCN1C(N)=O)C(=O)NC(N)=O ZINC001170784784 787268831 /nfs/dbraw/zinc/26/88/31/787268831.db2.gz LEJYNDZNXAZQIQ-NXEZZACHSA-N 1 0 342.400 -1.401 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCCN1C(N)=O)C(=O)NC(N)=O ZINC001170784786 787269152 /nfs/dbraw/zinc/26/91/52/787269152.db2.gz LEJYNDZNXAZQIQ-UWVGGRQHSA-N 1 0 342.400 -1.401 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCCN1C(N)=O)C(=O)NC(N)=O ZINC001170784787 787269308 /nfs/dbraw/zinc/26/93/08/787269308.db2.gz LEJYNDZNXAZQIQ-VHSXEESVSA-N 1 0 342.400 -1.401 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCCN1C(N)=O)C(=O)NC(N)=O ZINC001170784789 787269275 /nfs/dbraw/zinc/26/92/75/787269275.db2.gz LEJYNDZNXAZQIQ-ZJUUUORDSA-N 1 0 342.400 -1.401 20 0 EAADRO CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784808 787269676 /nfs/dbraw/zinc/26/96/76/787269676.db2.gz LJCDVKDXEFXUAU-SECBINFHSA-N 1 0 326.361 -2.980 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1ccon1 ZINC001170785065 787268723 /nfs/dbraw/zinc/26/87/23/787268723.db2.gz NCLYFOCPZBUKTN-SNVBAGLBSA-N 1 0 336.356 -1.538 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1cncn1C ZINC001170785146 787269377 /nfs/dbraw/zinc/26/93/77/787269377.db2.gz PARYRPCSHXTEIM-LLVKDONJSA-N 1 0 349.399 -1.793 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785162 787269591 /nfs/dbraw/zinc/26/95/91/787269591.db2.gz POEYNIXFGRCWPN-GHMZBOCLSA-N 1 0 343.388 -2.719 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785163 787268947 /nfs/dbraw/zinc/26/89/47/787268947.db2.gz POEYNIXFGRCWPN-MNOVXSKESA-N 1 0 343.388 -2.719 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]CCC[C@H](C)O ZINC001170785171 787268747 /nfs/dbraw/zinc/26/87/47/787268747.db2.gz PSHZHLDRFKBHIK-NWDGAFQWSA-N 1 0 341.416 -1.565 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785174 787269246 /nfs/dbraw/zinc/26/92/46/787269246.db2.gz PSHZHLDRFKBHIK-VXGBXAGGSA-N 1 0 341.416 -1.565 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1cnon1 ZINC001170785365 787269050 /nfs/dbraw/zinc/26/90/50/787269050.db2.gz QSBACLGIYTXDMR-SECBINFHSA-N 1 0 337.344 -2.143 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]Cc1ccnn1C ZINC001170785437 787270953 /nfs/dbraw/zinc/27/09/53/787270953.db2.gz RWECWXGLRRIQEQ-LLVKDONJSA-N 1 0 349.399 -1.793 20 0 EAADRO CC(C)OCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785667 787270073 /nfs/dbraw/zinc/27/00/73/787270073.db2.gz UBFCTRAIACAPAH-GFCCVEGCSA-N 1 0 341.416 -1.301 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001170785688 787270086 /nfs/dbraw/zinc/27/00/86/787270086.db2.gz UWODDWQJGHZHNY-SNVBAGLBSA-N 1 0 340.388 -2.638 20 0 EAADRO COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785701 787270987 /nfs/dbraw/zinc/27/09/87/787270987.db2.gz VIQZQWDKUNWDJB-GHMZBOCLSA-N 1 0 327.389 -1.691 20 0 EAADRO COC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785702 787271001 /nfs/dbraw/zinc/27/10/01/787271001.db2.gz VIQZQWDKUNWDJB-WDEREUQCSA-N 1 0 327.389 -1.691 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785947 787270889 /nfs/dbraw/zinc/27/08/89/787270889.db2.gz XBHXMSPGFWSGDM-SNVBAGLBSA-N 1 0 340.388 -2.590 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001170786000 787269461 /nfs/dbraw/zinc/26/94/61/787269461.db2.gz YVDXWYPYQODOOY-NXEZZACHSA-N 1 0 338.372 -2.838 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001170786001 787269213 /nfs/dbraw/zinc/26/92/13/787269213.db2.gz YVDXWYPYQODOOY-ZJUUUORDSA-N 1 0 338.372 -2.838 20 0 EAADRO CCOCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170786044 787269598 /nfs/dbraw/zinc/26/95/98/787269598.db2.gz ZYRIOTLHWRKGPT-LLVKDONJSA-N 1 0 327.389 -1.690 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001170786046 787268675 /nfs/dbraw/zinc/26/86/75/787268675.db2.gz ZZUGOTLQSTVRSX-LLVKDONJSA-N 1 0 349.457 -1.435 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001170786047 787269398 /nfs/dbraw/zinc/26/93/98/787269398.db2.gz ZZUGOTLQSTVRSX-NSHDSACASA-N 1 0 349.457 -1.435 20 0 EAADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@H]2CCCOCC2)c(=O)[nH]1 ZINC001170793353 787272671 /nfs/dbraw/zinc/27/26/71/787272671.db2.gz ZQRWJKIOMXZFJK-NRFQWKTPSA-N 1 0 341.364 -1.273 20 0 EAADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@@H]2CCCOCC2)c(=O)[nH]1 ZINC001170793354 787273311 /nfs/dbraw/zinc/27/33/11/787273311.db2.gz ZQRWJKIOMXZFJK-OMRXRXQOSA-N 1 0 341.364 -1.273 20 0 EAADRO C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001170796091 787274196 /nfs/dbraw/zinc/27/41/96/787274196.db2.gz ONQLIHCMIRQEOI-LLVKDONJSA-N 1 0 332.430 -1.018 20 0 EAADRO C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001170796092 787274805 /nfs/dbraw/zinc/27/48/05/787274805.db2.gz ONQLIHCMIRQEOI-NSHDSACASA-N 1 0 332.430 -1.018 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cn1ncnn1 ZINC001170796764 787277280 /nfs/dbraw/zinc/27/72/80/787277280.db2.gz UJFUGGYODWYQGF-JTQLQIEISA-N 1 0 337.388 -1.440 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cn1ncnn1 ZINC001170796768 787277117 /nfs/dbraw/zinc/27/71/17/787277117.db2.gz UJFUGGYODWYQGF-SNVBAGLBSA-N 1 0 337.388 -1.440 20 0 EAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+][C@@H]1CCCOCC1 ZINC001170801167 787281679 /nfs/dbraw/zinc/28/16/79/787281679.db2.gz PSBOCQSZBGOGHN-NEPJUHHUSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+][C@H]1CCCOCC1 ZINC001170801168 787281433 /nfs/dbraw/zinc/28/14/33/787281433.db2.gz PSBOCQSZBGOGHN-RYUDHWBXSA-N 1 0 326.397 -1.262 20 0 EAADRO Cn1cc(-c2n[nH]cc2C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001170802733 787282311 /nfs/dbraw/zinc/28/23/11/787282311.db2.gz WBYGJWRJLIGZIH-UHFFFAOYSA-N 1 0 348.367 -1.285 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1ncnn1 ZINC001170805815 787285386 /nfs/dbraw/zinc/28/53/86/787285386.db2.gz KVCBTLONJOXDRX-JTQLQIEISA-N 1 0 340.388 -1.607 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001170805818 787285860 /nfs/dbraw/zinc/28/58/60/787285860.db2.gz KVCBTLONJOXDRX-SNVBAGLBSA-N 1 0 340.388 -1.607 20 0 EAADRO C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001170806313 787287415 /nfs/dbraw/zinc/28/74/15/787287415.db2.gz NBOPQJFJGVIRCD-LLVKDONJSA-N 1 0 347.445 -1.513 20 0 EAADRO C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001170806318 787287010 /nfs/dbraw/zinc/28/70/10/787287010.db2.gz NBOPQJFJGVIRCD-NSHDSACASA-N 1 0 347.445 -1.513 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)Cn1ncnn1 ZINC001170806406 787287548 /nfs/dbraw/zinc/28/75/48/787287548.db2.gz NOIOYFGHLDZXIL-NXEZZACHSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ncnn1 ZINC001170806412 787287309 /nfs/dbraw/zinc/28/73/09/787287309.db2.gz NOIOYFGHLDZXIL-UWVGGRQHSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1ncnn1)C(=O)NC(N)=O ZINC001170806416 787286740 /nfs/dbraw/zinc/28/67/40/787286740.db2.gz NOIOYFGHLDZXIL-VHSXEESVSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ncnn1 ZINC001170806420 787286939 /nfs/dbraw/zinc/28/69/39/787286939.db2.gz NOIOYFGHLDZXIL-ZJUUUORDSA-N 1 0 340.388 -1.479 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ncnn1 ZINC001170806546 787287111 /nfs/dbraw/zinc/28/71/11/787287111.db2.gz OREUZGKKMPZAMZ-SECBINFHSA-N 1 0 326.361 -1.867 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1ncnn1 ZINC001170806547 787287604 /nfs/dbraw/zinc/28/76/04/787287604.db2.gz OREUZGKKMPZAMZ-VIFPVBQESA-N 1 0 326.361 -1.867 20 0 EAADRO C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)Cn1ncnn1 ZINC001170806958 787286829 /nfs/dbraw/zinc/28/68/29/787286829.db2.gz RCUMUJMFSVKOKN-GFCCVEGCSA-N 1 0 338.416 -1.037 20 0 EAADRO C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)Cn1ncnn1 ZINC001170806959 787287330 /nfs/dbraw/zinc/28/73/30/787287330.db2.gz RCUMUJMFSVKOKN-LBPRGKRZSA-N 1 0 338.416 -1.037 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cn1ncnn1 ZINC001170807259 787288934 /nfs/dbraw/zinc/28/89/34/787288934.db2.gz TZWRLLQTDZYSTA-GHMZBOCLSA-N 1 0 337.384 -1.257 20 0 EAADRO C[C@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)Cn1ncnn1 ZINC001170807260 787288435 /nfs/dbraw/zinc/28/84/35/787288435.db2.gz TZWRLLQTDZYSTA-MNOVXSKESA-N 1 0 337.384 -1.257 20 0 EAADRO C[C@@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)Cn1ncnn1 ZINC001170807261 787288961 /nfs/dbraw/zinc/28/89/61/787288961.db2.gz TZWRLLQTDZYSTA-QWRGUYRKSA-N 1 0 337.384 -1.257 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cn1ncnn1 ZINC001170807262 787289050 /nfs/dbraw/zinc/28/90/50/787289050.db2.gz TZWRLLQTDZYSTA-WDEREUQCSA-N 1 0 337.384 -1.257 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(N2CCCC2)nn1 ZINC001170829354 787309162 /nfs/dbraw/zinc/30/91/62/787309162.db2.gz MBCOSJCTXYNRAD-UHFFFAOYSA-N 1 0 349.395 -1.019 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001170860847 787322631 /nfs/dbraw/zinc/32/26/31/787322631.db2.gz WTUQAVXHRSBNIY-BJOHPYRUSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001170860848 787322565 /nfs/dbraw/zinc/32/25/65/787322565.db2.gz WTUQAVXHRSBNIY-PSLIRLAXSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001170860849 787321910 /nfs/dbraw/zinc/32/19/10/787321910.db2.gz WTUQAVXHRSBNIY-RFAUZJTJSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001170860850 787322374 /nfs/dbraw/zinc/32/23/74/787322374.db2.gz WTUQAVXHRSBNIY-VFZGTOFNSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001170860880 787322049 /nfs/dbraw/zinc/32/20/49/787322049.db2.gz YARALGIEURZIED-AWEZNQCLSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001170860881 787322773 /nfs/dbraw/zinc/32/27/73/787322773.db2.gz YARALGIEURZIED-CQSZACIVSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(=O)N[C@](C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001170860899 787321971 /nfs/dbraw/zinc/32/19/71/787321971.db2.gz YOJCLRWVZFHPQN-AWEZNQCLSA-N 1 0 327.385 -1.418 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001170860900 787321504 /nfs/dbraw/zinc/32/15/04/787321504.db2.gz YOJCLRWVZFHPQN-CQSZACIVSA-N 1 0 327.385 -1.418 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 ZINC001170867787 787324780 /nfs/dbraw/zinc/32/47/80/787324780.db2.gz NAWGDGYMUHSITH-HNNXBMFYSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@](C)(NC(C)=O)C1CC1 ZINC001170867789 787324446 /nfs/dbraw/zinc/32/44/46/787324446.db2.gz NAWGDGYMUHSITH-OAHLLOKOSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001170878061 787327393 /nfs/dbraw/zinc/32/73/93/787327393.db2.gz KHXTZCBIKNACKQ-SECBINFHSA-N 1 0 325.373 -1.873 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001170878063 787327896 /nfs/dbraw/zinc/32/78/96/787327896.db2.gz KHXTZCBIKNACKQ-VIFPVBQESA-N 1 0 325.373 -1.873 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001170879246 787329483 /nfs/dbraw/zinc/32/94/83/787329483.db2.gz VSVSWTGBGZVOOC-JTQLQIEISA-N 1 0 339.400 -1.612 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001170879251 787329265 /nfs/dbraw/zinc/32/92/65/787329265.db2.gz VSVSWTGBGZVOOC-SNVBAGLBSA-N 1 0 339.400 -1.612 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001170879301 787330259 /nfs/dbraw/zinc/33/02/59/787330259.db2.gz WMNPSNSRHSIXSD-NXEZZACHSA-N 1 0 339.400 -1.485 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001170879302 787329423 /nfs/dbraw/zinc/32/94/23/787329423.db2.gz WMNPSNSRHSIXSD-UWVGGRQHSA-N 1 0 339.400 -1.485 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001170879303 787330195 /nfs/dbraw/zinc/33/01/95/787330195.db2.gz WMNPSNSRHSIXSD-VHSXEESVSA-N 1 0 339.400 -1.485 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001170879304 787329133 /nfs/dbraw/zinc/32/91/33/787329133.db2.gz WMNPSNSRHSIXSD-ZJUUUORDSA-N 1 0 339.400 -1.485 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1conc1COC ZINC001170966503 787342046 /nfs/dbraw/zinc/34/20/46/787342046.db2.gz KRRWVDBAFLRBDJ-UHFFFAOYSA-N 1 0 327.341 -1.014 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001170971278 787348621 /nfs/dbraw/zinc/34/86/21/787348621.db2.gz HIZKPLUIGMTOCM-SECBINFHSA-N 1 0 348.425 -1.510 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001170971279 787348611 /nfs/dbraw/zinc/34/86/11/787348611.db2.gz HIZKPLUIGMTOCM-VIFPVBQESA-N 1 0 348.425 -1.510 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170975014 787357322 /nfs/dbraw/zinc/35/73/22/787357322.db2.gz GLPJJWWGULAECW-LLVKDONJSA-N 1 0 336.367 -1.010 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170975016 787357951 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EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001171072192 787427936 /nfs/dbraw/zinc/42/79/36/787427936.db2.gz SUMWTCLFZTVDSD-ZETCQYMHSA-N 1 0 327.341 -1.260 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001171072507 787428163 /nfs/dbraw/zinc/42/81/63/787428163.db2.gz XAMVXGYECJGBBT-UHFFFAOYSA-N 1 0 327.341 -1.306 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001171078379 787436029 /nfs/dbraw/zinc/43/60/29/787436029.db2.gz WTGWKBRBSJZROO-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001171078381 787437416 /nfs/dbraw/zinc/43/74/16/787437416.db2.gz WTGWKBRBSJZROO-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171079035 787438522 /nfs/dbraw/zinc/43/85/22/787438522.db2.gz ASWVAXOYQNUFRA-UHFFFAOYSA-N 1 0 335.368 -1.395 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCCNC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171079042 787438560 /nfs/dbraw/zinc/43/85/60/787438560.db2.gz BCZKQCUPFAWASL-SECBINFHSA-N 1 0 333.352 -1.594 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCCNC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171079046 787439021 /nfs/dbraw/zinc/43/90/21/787439021.db2.gz BCZKQCUPFAWASL-VIFPVBQESA-N 1 0 333.352 -1.594 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)N(C)C ZINC001171079058 787438968 /nfs/dbraw/zinc/43/89/68/787438968.db2.gz BTRORFNYZSFJFD-SECBINFHSA-N 1 0 335.368 -1.396 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)N(C)C ZINC001171079059 787439111 /nfs/dbraw/zinc/43/91/11/787439111.db2.gz BTRORFNYZSFJFD-VIFPVBQESA-N 1 0 335.368 -1.396 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1)NCC1CC1 ZINC001171079063 787439159 /nfs/dbraw/zinc/43/91/59/787439159.db2.gz BVXZRJDXGBXCCI-UHFFFAOYSA-N 1 0 347.379 -1.347 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001171079065 787438542 /nfs/dbraw/zinc/43/85/42/787438542.db2.gz BWZRJHLAABXGBY-JTQLQIEISA-N 1 0 347.379 -1.252 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001171079066 787438921 /nfs/dbraw/zinc/43/89/21/787438921.db2.gz BWZRJHLAABXGBY-SNVBAGLBSA-N 1 0 347.379 -1.252 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1)N1CCC1 ZINC001171079072 787438574 /nfs/dbraw/zinc/43/85/74/787438574.db2.gz CCTNDIIZZTZAAN-UHFFFAOYSA-N 1 0 333.352 -1.641 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171079114 787439216 /nfs/dbraw/zinc/43/92/16/787439216.db2.gz DIOQPBZRBWDPHF-UHFFFAOYSA-N 1 0 349.395 -1.006 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171079124 787437925 /nfs/dbraw/zinc/43/79/25/787437925.db2.gz DNBPBBUICBECPQ-UHFFFAOYSA-N 1 0 335.368 -1.348 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1)N1CCCC1 ZINC001171079447 787437999 /nfs/dbraw/zinc/43/79/99/787437999.db2.gz GJFGDCKOKMQMDS-UHFFFAOYSA-N 1 0 347.379 -1.251 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)nn1 ZINC001171079481 787439054 /nfs/dbraw/zinc/43/90/54/787439054.db2.gz HFIJGTKZRLXIRQ-UHFFFAOYSA-N 1 0 345.367 -1.061 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)n1 ZINC001171079483 787438591 /nfs/dbraw/zinc/43/85/91/787438591.db2.gz HHDVITOYCBMXGA-UHFFFAOYSA-N 1 0 331.340 -1.544 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171079530 787439142 /nfs/dbraw/zinc/43/91/42/787439142.db2.gz HWADWDZRZHWVKV-UHFFFAOYSA-N 1 0 345.367 -1.061 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)nn1 ZINC001171079540 787438083 /nfs/dbraw/zinc/43/80/83/787438083.db2.gz HZMNKXSCADXZRH-UHFFFAOYSA-N 1 0 331.340 -1.544 20 0 EAADRO CN1CCC[C@H]([NH2+]CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001171079625 787438936 /nfs/dbraw/zinc/43/89/36/787438936.db2.gz JNAUMOBJZDRVNU-JTQLQIEISA-N 1 0 347.379 -1.252 20 0 EAADRO CN1CCC[C@@H]([NH2+]CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)C1=O ZINC001171079626 787438986 /nfs/dbraw/zinc/43/89/86/787438986.db2.gz JNAUMOBJZDRVNU-SNVBAGLBSA-N 1 0 347.379 -1.252 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080570 787438637 /nfs/dbraw/zinc/43/86/37/787438637.db2.gz VXLADMCDNKQFEK-MRVPVSSYSA-N 1 0 347.335 -2.068 20 0 EAADRO O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080571 787438466 /nfs/dbraw/zinc/43/84/66/787438466.db2.gz VXLADMCDNKQFEK-QMMMGPOBSA-N 1 0 347.335 -2.068 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080600 787438395 /nfs/dbraw/zinc/43/83/95/787438395.db2.gz XFZKUQDTPLMLGO-UHFFFAOYSA-N 1 0 342.381 -1.828 20 0 EAADRO O=C(NCCC[NH2+]CCNC(=O)C1CC1)c1cc(=O)n2[nH]cnc2n1 ZINC001171080606 787438204 /nfs/dbraw/zinc/43/82/04/787438204.db2.gz XJPNZJBYIAWOGT-UHFFFAOYSA-N 1 0 347.379 -1.347 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080656 787439175 /nfs/dbraw/zinc/43/91/75/787439175.db2.gz ZLDVQBZEPIXPFN-UHFFFAOYSA-N 1 0 331.340 -1.544 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080700 787439312 /nfs/dbraw/zinc/43/93/12/787439312.db2.gz ZQZPKUCRFHPOSA-UHFFFAOYSA-N 1 0 331.340 -1.544 20 0 EAADRO C[NH2+]Cc1cc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)ncn1 ZINC001171083416 787440453 /nfs/dbraw/zinc/44/04/53/787440453.db2.gz KXXATKXXJRFHMY-UHFFFAOYSA-N 1 0 347.379 -1.005 20 0 EAADRO Cc1cn(CC(=O)NCCNc2cc3c(nn2)C[NH2+]C3)c(=O)[nH]c1=O ZINC001171083486 787440848 /nfs/dbraw/zinc/44/08/48/787440848.db2.gz NRAIDAYFSFJPTO-UHFFFAOYSA-N 1 0 345.363 -1.121 20 0 EAADRO Cc1cn(CC(=O)NCCNc2cnc(C[NH3+])nc2)c(=O)[nH]c1=O ZINC001171084573 787440125 /nfs/dbraw/zinc/44/01/25/787440125.db2.gz KUODULWXVYONHC-UHFFFAOYSA-N 1 0 333.352 -1.266 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001171086140 787440672 /nfs/dbraw/zinc/44/06/72/787440672.db2.gz XONLBJZOYUWWDK-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001171086141 787440102 /nfs/dbraw/zinc/44/01/02/787440102.db2.gz XONLBJZOYUWWDK-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)NC1CC1 ZINC001171086251 787440777 /nfs/dbraw/zinc/44/07/77/787440777.db2.gz LJMWLTPTZBYLDV-SECBINFHSA-N 1 0 347.379 -1.206 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1)C(=O)NC1CC1 ZINC001171086252 787441100 /nfs/dbraw/zinc/44/11/00/787441100.db2.gz LJMWLTPTZBYLDV-VIFPVBQESA-N 1 0 347.379 -1.206 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001171095575 787440512 /nfs/dbraw/zinc/44/05/12/787440512.db2.gz NRSUCACGAUBBHV-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001171095578 787440769 /nfs/dbraw/zinc/44/07/69/787440769.db2.gz NRSUCACGAUBBHV-MNOVXSKESA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001171095580 787440903 /nfs/dbraw/zinc/44/09/03/787440903.db2.gz NRSUCACGAUBBHV-QWRGUYRKSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001171095584 787440387 /nfs/dbraw/zinc/44/03/87/787440387.db2.gz NRSUCACGAUBBHV-WDEREUQCSA-N 1 0 341.412 -1.076 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]Cc1nnnn1C ZINC001171106816 787444399 /nfs/dbraw/zinc/44/43/99/787444399.db2.gz BQRFDKCGTPLYNC-JTQLQIEISA-N 1 0 326.405 -1.096 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]Cc1nnnn1C ZINC001171106817 787443775 /nfs/dbraw/zinc/44/37/75/787443775.db2.gz BQRFDKCGTPLYNC-SNVBAGLBSA-N 1 0 326.405 -1.096 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001171108101 787443718 /nfs/dbraw/zinc/44/37/18/787443718.db2.gz JGWGGZNWTFTNMB-JTQLQIEISA-N 1 0 341.416 -1.198 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001171108102 787443589 /nfs/dbraw/zinc/44/35/89/787443589.db2.gz JGWGGZNWTFTNMB-SNVBAGLBSA-N 1 0 341.416 -1.198 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001171108622 787444093 /nfs/dbraw/zinc/44/40/93/787444093.db2.gz MLCVUOGZESZRSR-SECBINFHSA-N 1 0 330.389 -1.625 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001171108625 787443494 /nfs/dbraw/zinc/44/34/94/787443494.db2.gz MLCVUOGZESZRSR-VIFPVBQESA-N 1 0 330.389 -1.625 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(=O)NC ZINC001171110523 787443544 /nfs/dbraw/zinc/44/35/44/787443544.db2.gz YFCMUGAAUZFOSS-JTQLQIEISA-N 1 0 344.416 -1.364 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(=O)NC ZINC001171110524 787443379 /nfs/dbraw/zinc/44/33/79/787443379.db2.gz YFCMUGAAUZFOSS-SNVBAGLBSA-N 1 0 344.416 -1.364 20 0 EAADRO C[C@H](CCCC[NH2+]CCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001171120534 787445330 /nfs/dbraw/zinc/44/53/30/787445330.db2.gz NUIIDEUNFRDZGA-GFCCVEGCSA-N 1 0 326.397 -1.196 20 0 EAADRO C[C@@H](CCCC[NH2+]CCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001171120539 787446010 /nfs/dbraw/zinc/44/60/10/787446010.db2.gz NUIIDEUNFRDZGA-LBPRGKRZSA-N 1 0 326.397 -1.196 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001171120908 787445953 /nfs/dbraw/zinc/44/59/53/787445953.db2.gz PIRYTXKOUSIHQK-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001171120909 787444963 /nfs/dbraw/zinc/44/49/63/787444963.db2.gz PIRYTXKOUSIHQK-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001171121238 787445834 /nfs/dbraw/zinc/44/58/34/787445834.db2.gz RMIPSLYECWNUQK-LLVKDONJSA-N 1 0 339.396 -1.703 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001171121244 787445059 /nfs/dbraw/zinc/44/50/59/787445059.db2.gz RMIPSLYECWNUQK-NSHDSACASA-N 1 0 339.396 -1.703 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171121566 787445701 /nfs/dbraw/zinc/44/57/01/787445701.db2.gz VFWQRTHWSHDCHF-GHMZBOCLSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171121567 787445339 /nfs/dbraw/zinc/44/53/39/787445339.db2.gz VFWQRTHWSHDCHF-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171121568 787445089 /nfs/dbraw/zinc/44/50/89/787445089.db2.gz VFWQRTHWSHDCHF-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171121569 787446051 /nfs/dbraw/zinc/44/60/51/787446051.db2.gz VFWQRTHWSHDCHF-WDEREUQCSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001171131921 787447422 /nfs/dbraw/zinc/44/74/22/787447422.db2.gz SBHNHOCPPPQEQN-NXEZZACHSA-N 1 0 344.416 -1.237 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001171131922 787446923 /nfs/dbraw/zinc/44/69/23/787446923.db2.gz SBHNHOCPPPQEQN-UWVGGRQHSA-N 1 0 344.416 -1.237 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001171131923 787447145 /nfs/dbraw/zinc/44/71/45/787447145.db2.gz SBHNHOCPPPQEQN-VHSXEESVSA-N 1 0 344.416 -1.237 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001171131924 787447290 /nfs/dbraw/zinc/44/72/90/787447290.db2.gz SBHNHOCPPPQEQN-ZJUUUORDSA-N 1 0 344.416 -1.237 20 0 EAADRO CC(C)(C)[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171135394 787447530 /nfs/dbraw/zinc/44/75/30/787447530.db2.gz DUFZWKMDTZYRQW-SECBINFHSA-N 1 0 330.389 -1.640 20 0 EAADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171135397 787447555 /nfs/dbraw/zinc/44/75/55/787447555.db2.gz DUFZWKMDTZYRQW-VIFPVBQESA-N 1 0 330.389 -1.640 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)CS(=O)(=O)C(C)(C)C)nc1=O ZINC001171135563 787447607 /nfs/dbraw/zinc/44/76/07/787447607.db2.gz IDJMTFKAQHRRFR-UHFFFAOYSA-N 1 0 347.441 -1.082 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H](NC(N)=O)C(C)(C)C)nc1=O ZINC001171135611 787446867 /nfs/dbraw/zinc/44/68/67/787446867.db2.gz IVDYXHMPIXHDJF-JTQLQIEISA-N 1 0 341.416 -1.213 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)nc1=O ZINC001171135612 787447598 /nfs/dbraw/zinc/44/75/98/787447598.db2.gz IVDYXHMPIXHDJF-SNVBAGLBSA-N 1 0 341.416 -1.213 20 0 EAADRO CC(C)(C)[C@H](NC(N)=O)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171135704 787447300 /nfs/dbraw/zinc/44/73/00/787447300.db2.gz KPZAHYXTFSQZDO-GXSJLCMTSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171135705 787446838 /nfs/dbraw/zinc/44/68/38/787446838.db2.gz KPZAHYXTFSQZDO-KOLCDFICSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(C)(C)[C@H](NC(N)=O)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171135706 787447581 /nfs/dbraw/zinc/44/75/81/787447581.db2.gz KPZAHYXTFSQZDO-MWLCHTKSSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171135708 787447090 /nfs/dbraw/zinc/44/70/90/787447090.db2.gz KPZAHYXTFSQZDO-ONGXEEELSA-N 1 0 341.412 -1.030 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001171136066 787447179 /nfs/dbraw/zinc/44/71/79/787447179.db2.gz SGUZBVZSYOYSQD-JTQLQIEISA-N 1 0 344.416 -1.379 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001171136071 787447056 /nfs/dbraw/zinc/44/70/56/787447056.db2.gz SGUZBVZSYOYSQD-SNVBAGLBSA-N 1 0 344.416 -1.379 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001171136356 787447560 /nfs/dbraw/zinc/44/75/60/787447560.db2.gz YUGRNYQORRACBH-JTQLQIEISA-N 1 0 326.405 -1.111 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001171136357 787447310 /nfs/dbraw/zinc/44/73/10/787447310.db2.gz YUGRNYQORRACBH-SNVBAGLBSA-N 1 0 326.405 -1.111 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171136374 787447932 /nfs/dbraw/zinc/44/79/32/787447932.db2.gz ZNXLMPRTPNXSHW-UHFFFAOYSA-N 1 0 336.414 -1.510 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H](NC(N)=O)C(C)(C)C)C(=O)NC(N)=O ZINC001171152181 787448875 /nfs/dbraw/zinc/44/88/75/787448875.db2.gz AUTIFQDZBFPAJI-BDAKNGLRSA-N 1 0 344.416 -1.251 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)NC(N)=O ZINC001171152185 787449253 /nfs/dbraw/zinc/44/92/53/787449253.db2.gz AUTIFQDZBFPAJI-DTWKUNHWSA-N 1 0 344.416 -1.251 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H](NC(N)=O)C(C)(C)C)C(=O)NC(N)=O ZINC001171152187 787449208 /nfs/dbraw/zinc/44/92/08/787449208.db2.gz AUTIFQDZBFPAJI-IUCAKERBSA-N 1 0 344.416 -1.251 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)NC(N)=O ZINC001171152188 787449240 /nfs/dbraw/zinc/44/92/40/787449240.db2.gz AUTIFQDZBFPAJI-RKDXNWHRSA-N 1 0 344.416 -1.251 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CCNC1=O ZINC001171218135 787474132 /nfs/dbraw/zinc/47/41/32/787474132.db2.gz ZUQLYUNFZBFYSO-GHMZBOCLSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CCNC1=O ZINC001171218137 787474045 /nfs/dbraw/zinc/47/40/45/787474045.db2.gz ZUQLYUNFZBFYSO-MNOVXSKESA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CCNC1=O ZINC001171218138 787474018 /nfs/dbraw/zinc/47/40/18/787474018.db2.gz ZUQLYUNFZBFYSO-QWRGUYRKSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CCNC1=O ZINC001171218140 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C[C@@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001171270269 787501830 /nfs/dbraw/zinc/50/18/30/787501830.db2.gz PZOGWCZFTVTWNL-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171298345 787532955 /nfs/dbraw/zinc/53/29/55/787532955.db2.gz AQYNDYBNBMMKHA-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171298346 787531732 /nfs/dbraw/zinc/53/17/32/787531732.db2.gz AQYNDYBNBMMKHA-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171298866 787531840 /nfs/dbraw/zinc/53/18/40/787531840.db2.gz FMTDSUBYLTVZAC-SRVKXCTJSA-N 1 0 344.412 -1.144 20 0 EAADRO COC[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171298887 787531900 /nfs/dbraw/zinc/53/19/00/787531900.db2.gz FMTDSUBYLTVZAC-TUAOUCFPSA-N 1 0 344.412 -1.144 20 0 EAADRO COC[C@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171298888 787532636 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20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171301040 787534601 /nfs/dbraw/zinc/53/46/01/787534601.db2.gz WAUWBFHFVTWDFV-UWVGGRQHSA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171301041 787535038 /nfs/dbraw/zinc/53/50/38/787535038.db2.gz WAUWBFHFVTWDFV-ZJUUUORDSA-N 1 0 327.385 -1.405 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1c(OC)cc[nH]c1=O ZINC001171320444 787574230 /nfs/dbraw/zinc/57/42/30/787574230.db2.gz AAAMKNRHGALZTF-UHFFFAOYSA-N 1 0 339.352 -1.039 20 0 EAADRO COc1cc[nH]c(=O)c1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171323204 787575652 /nfs/dbraw/zinc/57/56/52/787575652.db2.gz PDTDRTXNTQPUEI-UHFFFAOYSA-N 1 0 325.325 -1.300 20 0 EAADRO CCn1cnc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001171337007 787598534 /nfs/dbraw/zinc/59/85/34/787598534.db2.gz BYBIMTGFDNXDRQ-UHFFFAOYSA-N 1 0 336.396 -1.429 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCNC1=O ZINC001171358448 787604128 /nfs/dbraw/zinc/60/41/28/787604128.db2.gz HCKWDOYGALOANK-GHMZBOCLSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCNC1=O ZINC001171358449 787604220 /nfs/dbraw/zinc/60/42/20/787604220.db2.gz HCKWDOYGALOANK-MNOVXSKESA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCNC1=O ZINC001171358450 787604260 /nfs/dbraw/zinc/60/42/60/787604260.db2.gz HCKWDOYGALOANK-QWRGUYRKSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCNC1=O ZINC001171358451 787604374 /nfs/dbraw/zinc/60/43/74/787604374.db2.gz HCKWDOYGALOANK-WDEREUQCSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)C(N)=O ZINC001171366631 787606048 /nfs/dbraw/zinc/60/60/48/787606048.db2.gz BCTKFAHKAZWDQU-SECBINFHSA-N 1 0 329.401 -1.043 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)C(N)=O ZINC001171366632 787606440 /nfs/dbraw/zinc/60/64/40/787606440.db2.gz BCTKFAHKAZWDQU-VIFPVBQESA-N 1 0 329.401 -1.043 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171420099 787667851 /nfs/dbraw/zinc/66/78/51/787667851.db2.gz YPQUHSLVWHBSPM-LLVKDONJSA-N 1 0 336.367 -1.010 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171420100 787668001 /nfs/dbraw/zinc/66/80/01/787668001.db2.gz YPQUHSLVWHBSPM-NSHDSACASA-N 1 0 336.367 -1.010 20 0 EAADRO CN(C)c1ccc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001171429790 787676439 /nfs/dbraw/zinc/67/64/39/787676439.db2.gz APQNZTYMZYBITL-UHFFFAOYSA-N 1 0 349.395 -1.196 20 0 EAADRO CN(C)c1ccc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)nn1 ZINC001171429907 787676589 /nfs/dbraw/zinc/67/65/89/787676589.db2.gz DXJSIGPWOSFUCN-UHFFFAOYSA-N 1 0 344.441 -1.199 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(N(C)C)nn1)C(=O)NC(N)=O ZINC001171430621 787676534 /nfs/dbraw/zinc/67/65/34/787676534.db2.gz NQBGMEPSOVIVTK-SECBINFHSA-N 1 0 337.384 -1.165 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(N(C)C)nn1)C(=O)NC(N)=O ZINC001171430626 787676298 /nfs/dbraw/zinc/67/62/98/787676298.db2.gz NQBGMEPSOVIVTK-VIFPVBQESA-N 1 0 337.384 -1.165 20 0 EAADRO CN(C)c1ccc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001171431259 787677521 /nfs/dbraw/zinc/67/75/21/787677521.db2.gz UTAVDVBXBABXON-UHFFFAOYSA-N 1 0 334.384 -1.126 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(N(C)C)nn1 ZINC001171431273 787677472 /nfs/dbraw/zinc/67/74/72/787677472.db2.gz VMJRZAIVGRCHML-UHFFFAOYSA-N 1 0 337.384 -1.292 20 0 EAADRO Cc1ccn2ncc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c2n1 ZINC001171437881 787699482 /nfs/dbraw/zinc/69/94/82/787699482.db2.gz XPAJRHXZOURGKQ-UHFFFAOYSA-N 1 0 333.352 -1.058 20 0 EAADRO CNC(=O)c1ccc(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001171443309 787708999 /nfs/dbraw/zinc/70/89/99/787708999.db2.gz ACCICUIUHIMPAG-GFCCVEGCSA-N 1 0 347.375 -1.044 20 0 EAADRO CNC(=O)c1ccc(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001171443310 787709269 /nfs/dbraw/zinc/70/92/69/787709269.db2.gz ACCICUIUHIMPAG-LBPRGKRZSA-N 1 0 347.375 -1.044 20 0 EAADRO CNC(=O)c1ccc(C(=O)NCCC[NH2+]Cc2nnnn2C)cn1 ZINC001171443403 787709210 /nfs/dbraw/zinc/70/92/10/787709210.db2.gz COQLBGRXWLBJIG-UHFFFAOYSA-N 1 0 332.368 -1.126 20 0 EAADRO CNC(=O)c1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001171443757 787707611 /nfs/dbraw/zinc/70/76/11/787707611.db2.gz HJZFYTXGJBKAJY-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO CNC(=O)c1ccc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001171444403 787709220 /nfs/dbraw/zinc/70/92/20/787709220.db2.gz TZVPXJUFEWVWBM-UHFFFAOYSA-N 1 0 347.379 -1.227 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCC(=O)N(C)C ZINC001171450845 787740322 /nfs/dbraw/zinc/74/03/22/787740322.db2.gz AJXJBMUWSXROIZ-UHFFFAOYSA-N 1 0 329.401 -1.204 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171451014 787742398 /nfs/dbraw/zinc/74/23/98/787742398.db2.gz GUCRPHVIJSXXTP-UHFFFAOYSA-N 1 0 341.412 -1.107 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001171451822 787743435 /nfs/dbraw/zinc/74/34/35/787743435.db2.gz VKXMGJJVIHJXOH-UHFFFAOYSA-N 1 0 326.401 -1.037 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCCC(=O)N(C)C)C(=O)NC(N)=O ZINC001171459263 787785374 /nfs/dbraw/zinc/78/53/74/787785374.db2.gz OYUJKBGVRXESRX-JTQLQIEISA-N 1 0 329.401 -1.076 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCCC(=O)N(C)C)C(=O)NC(N)=O ZINC001171459264 787785156 /nfs/dbraw/zinc/78/51/56/787785156.db2.gz OYUJKBGVRXESRX-SNVBAGLBSA-N 1 0 329.401 -1.076 20 0 EAADRO CN(C)C(=O)CCCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001171459608 787785770 /nfs/dbraw/zinc/78/57/70/787785770.db2.gz UKRXYBKIUQWJKJ-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CCNC(=O)CCCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001171460077 787785009 /nfs/dbraw/zinc/78/50/09/787785009.db2.gz ZFZSLOAIFUPTPU-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO CCNC(=O)CCCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001171468935 787799577 /nfs/dbraw/zinc/79/95/77/787799577.db2.gz QFZSBHHXIUALFJ-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CCNC(=O)CCCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001171468936 787799037 /nfs/dbraw/zinc/79/90/37/787799037.db2.gz QFZSBHHXIUALFJ-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO CCNC(=O)CCCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001171468990 787799685 /nfs/dbraw/zinc/79/96/85/787799685.db2.gz SMUKQFRUIFEVNT-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CCNC(=O)CCCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171469241 787798833 /nfs/dbraw/zinc/79/88/33/787798833.db2.gz UMVMCHDMQBKLMG-UHFFFAOYSA-N 1 0 341.412 -1.060 20 0 EAADRO CCCNC(=O)CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001171486978 787789401 /nfs/dbraw/zinc/78/94/01/787789401.db2.gz BSXSULOHALWISR-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CCCNC(=O)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171487402 787790682 /nfs/dbraw/zinc/79/06/82/787790682.db2.gz NGZVLZWPVUSALW-UHFFFAOYSA-N 1 0 341.412 -1.060 20 0 EAADRO CCCNC(=O)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001171487416 787790795 /nfs/dbraw/zinc/79/07/95/787790795.db2.gz NUBGTFUZVYULAQ-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO CCCNC(=O)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001171487752 787790927 /nfs/dbraw/zinc/79/09/27/787790927.db2.gz PBVRPEODEFLSBA-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CCCNC(=O)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001171487753 787791171 /nfs/dbraw/zinc/79/11/71/787791171.db2.gz PBVRPEODEFLSBA-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO CCCNC(=O)CCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171512024 787800671 /nfs/dbraw/zinc/80/06/71/787800671.db2.gz AHVQARQABUZXPD-UHFFFAOYSA-N 1 0 329.401 -1.026 20 0 EAADRO CC(C)NC(=O)CCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171512295 787800202 /nfs/dbraw/zinc/80/02/02/787800202.db2.gz JFOPEYHDRLJHMQ-UHFFFAOYSA-N 1 0 329.401 -1.028 20 0 EAADRO Cn1cccc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)c1=O ZINC001171540147 787801681 /nfs/dbraw/zinc/80/16/81/787801681.db2.gz QNNVTUOESRMGSC-UHFFFAOYSA-N 1 0 336.392 -1.046 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cccn(C)c1=O ZINC001171540316 787800551 /nfs/dbraw/zinc/80/05/51/787800551.db2.gz XFZKVNSTSPNYKW-UHFFFAOYSA-N 1 0 337.380 -1.060 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cccn(C)c1=O ZINC001171543658 787800259 /nfs/dbraw/zinc/80/02/59/787800259.db2.gz CPFSGPWMBDWXCD-JTQLQIEISA-N 1 0 337.380 -1.061 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cccn(C)c1=O ZINC001171543659 787801694 /nfs/dbraw/zinc/80/16/94/787801694.db2.gz CPFSGPWMBDWXCD-SNVBAGLBSA-N 1 0 337.380 -1.061 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)c1cccn(C)c1=O)S(C)(=O)=O ZINC001171543716 787801548 /nfs/dbraw/zinc/80/15/48/787801548.db2.gz DWBQXNDGASHUGP-UHFFFAOYSA-N 1 0 344.437 -1.014 20 0 EAADRO Cn1cccc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)c1=O ZINC001171543804 787801284 /nfs/dbraw/zinc/80/12/84/787801284.db2.gz FLFLDVYPKYIJCM-UHFFFAOYSA-N 1 0 349.391 -1.947 20 0 EAADRO Cn1cccc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)c1=O ZINC001171543821 787800929 /nfs/dbraw/zinc/80/09/29/787800929.db2.gz GKXHDTDMWCTYMR-UHFFFAOYSA-N 1 0 335.364 -1.353 20 0 EAADRO Cn1cccc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)c1=O ZINC001171544509 787801812 /nfs/dbraw/zinc/80/18/12/787801812.db2.gz XQXURHANGHKGCP-UHFFFAOYSA-N 1 0 330.410 -1.356 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001171546159 787800403 /nfs/dbraw/zinc/80/04/03/787800403.db2.gz HTIVRGKKAURNAU-LLVKDONJSA-N 1 0 337.442 -1.203 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001171546218 787801899 /nfs/dbraw/zinc/80/18/99/787801899.db2.gz HTIVRGKKAURNAU-NSHDSACASA-N 1 0 337.442 -1.203 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1Cc2ccccc2C1=O ZINC001171549216 787803458 /nfs/dbraw/zinc/80/34/58/787803458.db2.gz VWGFKIKOJYBRSG-UHFFFAOYSA-N 1 0 347.375 -1.067 20 0 EAADRO CCc1cc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)no1 ZINC001171555395 787802332 /nfs/dbraw/zinc/80/23/32/787802332.db2.gz JQTBSJQMCLEXND-UHFFFAOYSA-N 1 0 337.380 -1.095 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001171562151 787802806 /nfs/dbraw/zinc/80/28/06/787802806.db2.gz DCVYOJDUKVUNJG-GHMZBOCLSA-N 1 0 343.428 -1.623 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001171562152 787802792 /nfs/dbraw/zinc/80/27/92/787802792.db2.gz DCVYOJDUKVUNJG-MNOVXSKESA-N 1 0 343.428 -1.623 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001171562153 787803572 /nfs/dbraw/zinc/80/35/72/787803572.db2.gz DCVYOJDUKVUNJG-QWRGUYRKSA-N 1 0 343.428 -1.623 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001171562154 787803106 /nfs/dbraw/zinc/80/31/06/787803106.db2.gz DCVYOJDUKVUNJG-WDEREUQCSA-N 1 0 343.428 -1.623 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001171562862 787802675 /nfs/dbraw/zinc/80/26/75/787802675.db2.gz PHRRCQIKYQWOJS-JTQLQIEISA-N 1 0 329.401 -2.011 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001171562865 787803005 /nfs/dbraw/zinc/80/30/05/787803005.db2.gz PHRRCQIKYQWOJS-SNVBAGLBSA-N 1 0 329.401 -2.011 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001171563354 787803684 /nfs/dbraw/zinc/80/36/84/787803684.db2.gz UVVZTXQNROBNPK-LLVKDONJSA-N 1 0 343.428 -1.751 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001171563355 787802865 /nfs/dbraw/zinc/80/28/65/787802865.db2.gz UVVZTXQNROBNPK-NSHDSACASA-N 1 0 343.428 -1.751 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)O ZINC001171563630 787802166 /nfs/dbraw/zinc/80/21/66/787802166.db2.gz YUKONQIIWPQEHD-NEPJUHHUSA-N 1 0 330.429 -1.116 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)O ZINC001171563634 787803624 /nfs/dbraw/zinc/80/36/24/787803624.db2.gz YUKONQIIWPQEHD-NWDGAFQWSA-N 1 0 330.429 -1.116 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)O ZINC001171563635 787802179 /nfs/dbraw/zinc/80/21/79/787802179.db2.gz YUKONQIIWPQEHD-RYUDHWBXSA-N 1 0 330.429 -1.116 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)O ZINC001171563637 787802780 /nfs/dbraw/zinc/80/27/80/787802780.db2.gz YUKONQIIWPQEHD-VXGBXAGGSA-N 1 0 330.429 -1.116 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001171568357 787802960 /nfs/dbraw/zinc/80/29/60/787802960.db2.gz ARGJZJOPBTXJRM-UHFFFAOYSA-N 1 0 347.331 -1.525 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]CCCO ZINC001171577361 787802634 /nfs/dbraw/zinc/80/26/34/787802634.db2.gz RHKXBRBHRWJOLZ-GFCCVEGCSA-N 1 0 330.429 -1.114 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]CCCO ZINC001171577363 787802151 /nfs/dbraw/zinc/80/21/51/787802151.db2.gz RHKXBRBHRWJOLZ-LBPRGKRZSA-N 1 0 330.429 -1.114 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001171603840 787804516 /nfs/dbraw/zinc/80/45/16/787804516.db2.gz CSDPMZHPFBMCIQ-CHWSQXEVSA-N 1 0 341.456 -1.101 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001171603841 787804783 /nfs/dbraw/zinc/80/47/83/787804783.db2.gz CSDPMZHPFBMCIQ-OLZOCXBDSA-N 1 0 341.456 -1.101 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001171603844 787804617 /nfs/dbraw/zinc/80/46/17/787804617.db2.gz CSDPMZHPFBMCIQ-QWHCGFSZSA-N 1 0 341.456 -1.101 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001171603845 787804703 /nfs/dbraw/zinc/80/47/03/787804703.db2.gz CSDPMZHPFBMCIQ-STQMWFEESA-N 1 0 341.456 -1.101 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001171605414 787804195 /nfs/dbraw/zinc/80/41/95/787804195.db2.gz NJHZPZPSNXNXDP-CYBMUJFWSA-N 1 0 341.456 -1.229 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001171605415 787804973 /nfs/dbraw/zinc/80/49/73/787804973.db2.gz NJHZPZPSNXNXDP-ZDUSSCGKSA-N 1 0 341.456 -1.229 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001171605759 787804956 /nfs/dbraw/zinc/80/49/56/787804956.db2.gz QRAPADWJSKHSTA-GFCCVEGCSA-N 1 0 327.429 -1.490 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001171605770 787804853 /nfs/dbraw/zinc/80/48/53/787804853.db2.gz QRAPADWJSKHSTA-LBPRGKRZSA-N 1 0 327.429 -1.490 20 0 EAADRO C[C@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001171610886 787805233 /nfs/dbraw/zinc/80/52/33/787805233.db2.gz CFCQTBOLPGXJGF-NEPJUHHUSA-N 1 0 338.412 -1.265 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001171610887 787803924 /nfs/dbraw/zinc/80/39/24/787803924.db2.gz CFCQTBOLPGXJGF-NWDGAFQWSA-N 1 0 338.412 -1.265 20 0 EAADRO C[C@@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001171610888 787804068 /nfs/dbraw/zinc/80/40/68/787804068.db2.gz CFCQTBOLPGXJGF-RYUDHWBXSA-N 1 0 338.412 -1.265 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001171610889 787804416 /nfs/dbraw/zinc/80/44/16/787804416.db2.gz CFCQTBOLPGXJGF-VXGBXAGGSA-N 1 0 338.412 -1.265 20 0 EAADRO CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171610924 787803952 /nfs/dbraw/zinc/80/39/52/787803952.db2.gz DNNWIZGPSGHXDK-GFCCVEGCSA-N 1 0 340.428 -1.018 20 0 EAADRO CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171610925 787805187 /nfs/dbraw/zinc/80/51/87/787805187.db2.gz DNNWIZGPSGHXDK-LBPRGKRZSA-N 1 0 340.428 -1.018 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171610936 787804362 /nfs/dbraw/zinc/80/43/62/787804362.db2.gz FFRUHPKEQUKEQM-LLVKDONJSA-N 1 0 326.401 -1.408 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171610937 787804666 /nfs/dbraw/zinc/80/46/66/787804666.db2.gz FFRUHPKEQUKEQM-NSHDSACASA-N 1 0 326.401 -1.408 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001171610960 787805401 /nfs/dbraw/zinc/80/54/01/787805401.db2.gz FVMPULQFZIGXFS-GFCCVEGCSA-N 1 0 340.428 -1.065 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001171610961 787804267 /nfs/dbraw/zinc/80/42/67/787804267.db2.gz FVMPULQFZIGXFS-LBPRGKRZSA-N 1 0 340.428 -1.065 20 0 EAADRO COC[C@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611066 787804758 /nfs/dbraw/zinc/80/47/58/787804758.db2.gz JNUJFRPBLNYLDY-CHWSQXEVSA-N 1 0 343.428 -1.146 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611067 787803830 /nfs/dbraw/zinc/80/38/30/787803830.db2.gz JNUJFRPBLNYLDY-OLZOCXBDSA-N 1 0 343.428 -1.146 20 0 EAADRO COC[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611068 787805197 /nfs/dbraw/zinc/80/51/97/787805197.db2.gz JNUJFRPBLNYLDY-QWHCGFSZSA-N 1 0 343.428 -1.146 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611069 787805374 /nfs/dbraw/zinc/80/53/74/787805374.db2.gz JNUJFRPBLNYLDY-STQMWFEESA-N 1 0 343.428 -1.146 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611084 787804311 /nfs/dbraw/zinc/80/43/11/787804311.db2.gz JYLFGFCOWJZDIK-NEPJUHHUSA-N 1 0 340.428 -1.019 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611085 787804377 /nfs/dbraw/zinc/80/43/77/787804377.db2.gz JYLFGFCOWJZDIK-NWDGAFQWSA-N 1 0 340.428 -1.019 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611086 787803856 /nfs/dbraw/zinc/80/38/56/787803856.db2.gz JYLFGFCOWJZDIK-RYUDHWBXSA-N 1 0 340.428 -1.019 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611087 787805157 /nfs/dbraw/zinc/80/51/57/787805157.db2.gz JYLFGFCOWJZDIK-VXGBXAGGSA-N 1 0 340.428 -1.019 20 0 EAADRO C[C@H](CCCC[NH2+]CCOCCO)NC(=O)Cn1ncn(C)c1=O ZINC001171611174 787804298 /nfs/dbraw/zinc/80/42/98/787804298.db2.gz MBVINOSACWXOTA-CYBMUJFWSA-N 1 0 343.428 -1.145 20 0 EAADRO C[C@@H](CCCC[NH2+]CCOCCO)NC(=O)Cn1ncn(C)c1=O ZINC001171611175 787804124 /nfs/dbraw/zinc/80/41/24/787804124.db2.gz MBVINOSACWXOTA-ZDUSSCGKSA-N 1 0 343.428 -1.145 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001171611756 787803977 /nfs/dbraw/zinc/80/39/77/787803977.db2.gz VRCQUPWTRWPXKI-GHMZBOCLSA-N 1 0 326.401 -1.280 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001171611757 787804772 /nfs/dbraw/zinc/80/47/72/787804772.db2.gz VRCQUPWTRWPXKI-MNOVXSKESA-N 1 0 326.401 -1.280 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001171611758 787805144 /nfs/dbraw/zinc/80/51/44/787805144.db2.gz VRCQUPWTRWPXKI-QWRGUYRKSA-N 1 0 326.401 -1.280 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001171611759 787804906 /nfs/dbraw/zinc/80/49/06/787804906.db2.gz VRCQUPWTRWPXKI-WDEREUQCSA-N 1 0 326.401 -1.280 20 0 EAADRO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001171615616 787804483 /nfs/dbraw/zinc/80/44/83/787804483.db2.gz BIZDYSBXCLHVJL-JTQLQIEISA-N 1 0 325.369 -1.697 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001171615690 787804252 /nfs/dbraw/zinc/80/42/52/787804252.db2.gz CQPNNRDOIJWIRK-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001171615691 787803865 /nfs/dbraw/zinc/80/38/65/787803865.db2.gz CQPNNRDOIJWIRK-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001171615709 787803844 /nfs/dbraw/zinc/80/38/44/787803844.db2.gz DHOOGNVEPUZABB-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001171615710 787804113 /nfs/dbraw/zinc/80/41/13/787804113.db2.gz DHOOGNVEPUZABB-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171615832 787804081 /nfs/dbraw/zinc/80/40/81/787804081.db2.gz DUGFXOFOUMEXLV-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3CCC(=O)N3)C2=O)n1 ZINC001171615890 787804046 /nfs/dbraw/zinc/80/40/46/787804046.db2.gz HOOJZIOZSWTKTC-NWDGAFQWSA-N 1 0 348.407 -1.100 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3CCC(=O)N3)C2=O)n1 ZINC001171615891 787804008 /nfs/dbraw/zinc/80/40/08/787804008.db2.gz HOOJZIOZSWTKTC-RYUDHWBXSA-N 1 0 348.407 -1.100 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171616071 787804655 /nfs/dbraw/zinc/80/46/55/787804655.db2.gz JJSLPJJJESZEMI-LBPRGKRZSA-N 1 0 349.453 -1.188 20 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/nfs/dbraw/zinc/80/68/42/787806842.db2.gz QEPXEYLMCMNNLF-SNVBAGLBSA-N 1 0 325.369 -1.301 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001171709537 787806307 /nfs/dbraw/zinc/80/63/07/787806307.db2.gz BJCAFFQQLRDNPL-UHFFFAOYSA-N 1 0 345.425 -1.803 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+][C@H](C)c2nnnn2C)n1 ZINC001171709548 787806891 /nfs/dbraw/zinc/80/68/91/787806891.db2.gz CAYFFKLCTCQUTK-LLVKDONJSA-N 1 0 334.384 -1.068 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001171709549 787806108 /nfs/dbraw/zinc/80/61/08/787806108.db2.gz CAYFFKLCTCQUTK-NSHDSACASA-N 1 0 334.384 -1.068 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001171709555 787806741 /nfs/dbraw/zinc/80/67/41/787806741.db2.gz CHDOVXCOOJICCB-UHFFFAOYSA-N 1 0 349.391 -1.203 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)n1 ZINC001171709843 787806967 /nfs/dbraw/zinc/80/69/67/787806967.db2.gz GSZVLTMAAFJLQN-AWEZNQCLSA-N 1 0 348.407 -1.095 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)n1 ZINC001171709844 787806166 /nfs/dbraw/zinc/80/61/66/787806166.db2.gz GSZVLTMAAFJLQN-CQSZACIVSA-N 1 0 348.407 -1.095 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)n1 ZINC001171709846 787806980 /nfs/dbraw/zinc/80/69/80/787806980.db2.gz GZMAQJLTAPLBRJ-JTQLQIEISA-N 1 0 338.368 -1.769 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)n1 ZINC001171709847 787806152 /nfs/dbraw/zinc/80/61/52/787806152.db2.gz GZMAQJLTAPLBRJ-SNVBAGLBSA-N 1 0 338.368 -1.769 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1nc(C)ccc1=O ZINC001171709863 787805792 /nfs/dbraw/zinc/80/57/92/787805792.db2.gz HUAGRMLAYGYCCA-UHFFFAOYSA-N 1 0 338.368 -1.897 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+]CCN2CCNC2=O)n1 ZINC001171709925 787806934 /nfs/dbraw/zinc/80/69/34/787806934.db2.gz KZTBTIJPOYFHMV-UHFFFAOYSA-N 1 0 336.396 -1.327 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001171709988 787805468 /nfs/dbraw/zinc/80/54/68/787805468.db2.gz OYTYBBAJVJMABG-UHFFFAOYSA-N 1 0 335.368 -1.730 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)n1 ZINC001171710108 787805815 /nfs/dbraw/zinc/80/58/15/787805815.db2.gz VPEWEOJYUJEUOS-UHFFFAOYSA-N 1 0 330.410 -1.308 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001171710182 787806179 /nfs/dbraw/zinc/80/61/79/787806179.db2.gz YZPNTMCPZCQCNI-LLVKDONJSA-N 1 0 335.364 -1.547 20 0 EAADRO Cc1ccc(=O)n(CC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001171710183 787806582 /nfs/dbraw/zinc/80/65/82/787806582.db2.gz YZPNTMCPZCQCNI-NSHDSACASA-N 1 0 335.364 -1.547 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C(=O)NC)CCC1 ZINC001171748500 787806531 /nfs/dbraw/zinc/80/65/31/787806531.db2.gz GYQZALLUCBIDLY-UHFFFAOYSA-N 1 0 327.385 -1.546 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C(=O)NC)CCC1 ZINC001171749066 787806430 /nfs/dbraw/zinc/80/64/30/787806430.db2.gz SLPGXDCLZJVXOV-UHFFFAOYSA-N 1 0 341.412 -1.156 20 0 EAADRO CNC(=O)C1(C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)CCC1 ZINC001171749068 787807065 /nfs/dbraw/zinc/80/70/65/787807065.db2.gz SPKYVEICWOYDRF-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CNC(=O)C1(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CCC1 ZINC001171749315 787806134 /nfs/dbraw/zinc/80/61/34/787806134.db2.gz ZOHKITVADCHTJR-UHFFFAOYSA-N 1 0 340.424 -1.143 20 0 EAADRO CNC(=O)C1(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001171756939 787806047 /nfs/dbraw/zinc/80/60/47/787806047.db2.gz CGERXXBDFYGECO-UHFFFAOYSA-N 1 0 334.442 -1.452 20 0 EAADRO CNC(=O)C1(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)CCC1 ZINC001171757234 787805673 /nfs/dbraw/zinc/80/56/73/787805673.db2.gz GGKSMARHDIZUHQ-SECBINFHSA-N 1 0 327.385 -1.418 20 0 EAADRO CNC(=O)C1(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CCC1 ZINC001171757236 787806294 /nfs/dbraw/zinc/80/62/94/787806294.db2.gz GGKSMARHDIZUHQ-VIFPVBQESA-N 1 0 327.385 -1.418 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C(=O)NC)CCC1 ZINC001171757680 787806921 /nfs/dbraw/zinc/80/69/21/787806921.db2.gz MWNPXXVPCFDURE-JTQLQIEISA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C(=O)NC)CCC1 ZINC001171757681 787806752 /nfs/dbraw/zinc/80/67/52/787806752.db2.gz MWNPXXVPCFDURE-SNVBAGLBSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)C1(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001171757686 787806228 /nfs/dbraw/zinc/80/62/28/787806228.db2.gz NCQIWIJJHYVLIP-UHFFFAOYSA-N 1 0 339.396 -1.450 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C1(C(=O)NC)CCC1 ZINC001171758227 787806206 /nfs/dbraw/zinc/80/62/06/787806206.db2.gz UFMXQBQMLGEHGE-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1cc(Cl)no1)N1CCNC(=O)C1 ZINC001171781535 787807726 /nfs/dbraw/zinc/80/77/26/787807726.db2.gz KLCLOCKVIRHMEB-UHFFFAOYSA-N 1 0 343.771 -1.004 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccccc1 ZINC001171822813 787808209 /nfs/dbraw/zinc/80/82/09/787808209.db2.gz OBFJXXPNSYRFLF-UHFFFAOYSA-N 1 0 349.391 -1.032 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccccc1 ZINC001171822914 787808573 /nfs/dbraw/zinc/80/85/73/787808573.db2.gz UDYUPZQGPDIIJK-UHFFFAOYSA-N 1 0 335.364 -1.293 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171889340 787807867 /nfs/dbraw/zinc/80/78/67/787807867.db2.gz FHMUIKFCFTUJAG-UWVGGRQHSA-N 1 0 348.425 -2.351 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171889341 787807667 /nfs/dbraw/zinc/80/76/67/787807667.db2.gz FHMUIKFCFTUJAG-ZJUUUORDSA-N 1 0 348.425 -2.351 20 0 EAADRO COCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890109 787807997 /nfs/dbraw/zinc/80/79/97/787807997.db2.gz PTKWOWCHYIGZTE-NEPJUHHUSA-N 1 0 349.453 -1.189 20 0 EAADRO COCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890110 787808010 /nfs/dbraw/zinc/80/80/10/787808010.db2.gz PTKWOWCHYIGZTE-RYUDHWBXSA-N 1 0 349.453 -1.189 20 0 EAADRO C[C@H](CCCC[NH2+]CCCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890587 787807429 /nfs/dbraw/zinc/80/74/29/787807429.db2.gz YGSMSPGQEBONAK-NEPJUHHUSA-N 1 0 349.453 -1.453 20 0 EAADRO C[C@@H](CCCC[NH2+]CCCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890591 787808045 /nfs/dbraw/zinc/80/80/45/787808045.db2.gz YGSMSPGQEBONAK-RYUDHWBXSA-N 1 0 349.453 -1.453 20 0 EAADRO C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890766 787808322 /nfs/dbraw/zinc/80/83/22/787808322.db2.gz ZPGGZKDWTDVNTG-MNOVXSKESA-N 1 0 335.426 -1.844 20 0 EAADRO C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890770 787808022 /nfs/dbraw/zinc/80/80/22/787808022.db2.gz ZPGGZKDWTDVNTG-QWRGUYRKSA-N 1 0 335.426 -1.844 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@]1(C)CNC(=O)C1 ZINC001171897077 787807854 /nfs/dbraw/zinc/80/78/54/787807854.db2.gz YZTDXITYBKKJSE-BMIGLBTASA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@]1(C)CNC(=O)C1 ZINC001171897078 787808638 /nfs/dbraw/zinc/80/86/38/787808638.db2.gz YZTDXITYBKKJSE-BONVTDFDSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001171897079 787807189 /nfs/dbraw/zinc/80/71/89/787807189.db2.gz YZTDXITYBKKJSE-MEBBXXQBSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001171897080 787808036 /nfs/dbraw/zinc/80/80/36/787808036.db2.gz YZTDXITYBKKJSE-ZUZCIYMTSA-N 1 0 341.412 -1.028 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001171912541 787808189 /nfs/dbraw/zinc/80/81/89/787808189.db2.gz FYXQBMJYTNQHRR-GFCCVEGCSA-N 1 0 340.428 -1.018 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001171912542 787807982 /nfs/dbraw/zinc/80/79/82/787807982.db2.gz FYXQBMJYTNQHRR-LBPRGKRZSA-N 1 0 340.428 -1.018 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001171912857 787808296 /nfs/dbraw/zinc/80/82/96/787808296.db2.gz LZNANMDKBDTLBM-LLVKDONJSA-N 1 0 326.401 -1.278 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001171912858 787808561 /nfs/dbraw/zinc/80/85/61/787808561.db2.gz LZNANMDKBDTLBM-NSHDSACASA-N 1 0 326.401 -1.278 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001171924401 787807476 /nfs/dbraw/zinc/80/74/76/787807476.db2.gz OHCRDBIYTSUMBU-NXEZZACHSA-N 1 0 337.446 -1.821 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001171924402 787808244 /nfs/dbraw/zinc/80/82/44/787808244.db2.gz OHCRDBIYTSUMBU-UWVGGRQHSA-N 1 0 337.446 -1.821 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001171924403 787807841 /nfs/dbraw/zinc/80/78/41/787807841.db2.gz OHCRDBIYTSUMBU-VHSXEESVSA-N 1 0 337.446 -1.821 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001171924404 787807702 /nfs/dbraw/zinc/80/77/02/787807702.db2.gz OHCRDBIYTSUMBU-ZJUUUORDSA-N 1 0 337.446 -1.821 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001171928948 787807714 /nfs/dbraw/zinc/80/77/14/787807714.db2.gz AWZCZMSGEDXXDY-GHMZBOCLSA-N 1 0 349.457 -1.807 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001171928949 787807956 /nfs/dbraw/zinc/80/79/56/787807956.db2.gz AWZCZMSGEDXXDY-MNOVXSKESA-N 1 0 349.457 -1.807 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001171928950 787807627 /nfs/dbraw/zinc/80/76/27/787807627.db2.gz AWZCZMSGEDXXDY-QWRGUYRKSA-N 1 0 349.457 -1.807 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001171928951 787807923 /nfs/dbraw/zinc/80/79/23/787807923.db2.gz AWZCZMSGEDXXDY-WDEREUQCSA-N 1 0 349.457 -1.807 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001171929076 787807234 /nfs/dbraw/zinc/80/72/34/787807234.db2.gz DLNLSDZVHRNAQF-JTQLQIEISA-N 1 0 337.446 -1.949 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001171929077 787807398 /nfs/dbraw/zinc/80/73/98/787807398.db2.gz DLNLSDZVHRNAQF-SNVBAGLBSA-N 1 0 337.446 -1.949 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnon1 ZINC001171929950 787808221 /nfs/dbraw/zinc/80/82/21/787808221.db2.gz LLCDFPXJPVSJLX-JTQLQIEISA-N 1 0 348.429 -1.112 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)CCCC[NH2+]Cc1cnon1 ZINC001171929956 787807452 /nfs/dbraw/zinc/80/74/52/787807452.db2.gz LLCDFPXJPVSJLX-SNVBAGLBSA-N 1 0 348.429 -1.112 20 0 EAADRO CCOC(=O)C1(C)CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001171940006 787807296 /nfs/dbraw/zinc/80/72/96/787807296.db2.gz HEMRLEYMJHLSOI-QRXHJKHBSA-N 1 0 347.408 -1.112 20 0 EAADRO CCOC(=O)C1(C)CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001171940007 787808421 /nfs/dbraw/zinc/80/84/21/787808421.db2.gz HEMRLEYMJHLSOI-YIGVGQIGSA-N 1 0 347.408 -1.112 20 0 EAADRO NC(=O)[C@H]1C[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C(N)=O ZINC001171944220 787809330 /nfs/dbraw/zinc/80/93/30/787809330.db2.gz YKUAABSBOFVMGW-AOOOYVTPSA-N 1 0 337.380 -1.630 20 0 EAADRO NC(=O)[C@@H]1C[NH+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C(N)=O ZINC001171944239 787809542 /nfs/dbraw/zinc/80/95/42/787809542.db2.gz YKUAABSBOFVMGW-NXEZZACHSA-N 1 0 337.380 -1.630 20 0 EAADRO NC(=O)[C@H]1C[NH+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C(N)=O 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CCOC(=O)CNC(=O)C[NH2+][C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173566053 787823469 /nfs/dbraw/zinc/82/34/69/787823469.db2.gz YQFNQUGYEPGPIV-RTCCRHLQSA-N 1 0 344.364 -1.004 20 0 EAADRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173567778 787823166 /nfs/dbraw/zinc/82/31/66/787823166.db2.gz CGDACJFBQAEVMS-MMWGEVLESA-N 1 0 344.364 -1.006 20 0 EAADRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173567780 787822590 /nfs/dbraw/zinc/82/25/90/787822590.db2.gz CGDACJFBQAEVMS-XWLWVQCSSA-N 1 0 344.364 -1.006 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173570107 787822551 /nfs/dbraw/zinc/82/25/51/787822551.db2.gz QBYMGHUMKNIFFU-AATLWQCWSA-N 1 0 329.353 -1.693 20 0 EAADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173570113 787823012 /nfs/dbraw/zinc/82/30/12/787823012.db2.gz QBYMGHUMKNIFFU-QEYWKRMJSA-N 1 0 329.353 -1.693 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)C[C@@H]1C(=O)OC ZINC001173572656 787823325 /nfs/dbraw/zinc/82/33/25/787823325.db2.gz MTLDZRDCGLHPGH-AJBSGBCOSA-N 1 0 343.380 -1.305 20 0 EAADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)C[C@@H]1C(=O)OC ZINC001173572658 787821781 /nfs/dbraw/zinc/82/17/81/787821781.db2.gz MTLDZRDCGLHPGH-MFDAYCCISA-N 1 0 343.380 -1.305 20 0 EAADRO COC(=O)CNC(=O)C[NH2+][C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173581239 787823719 /nfs/dbraw/zinc/82/37/19/787823719.db2.gz HIHRWJCRJSAYEH-ILWJIGKKSA-N 1 0 330.337 -1.394 20 0 EAADRO COC(=O)CNC(=O)C[NH2+][C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173581252 787822288 /nfs/dbraw/zinc/82/22/88/787822288.db2.gz HIHRWJCRJSAYEH-OWUUHHOZSA-N 1 0 330.337 -1.394 20 0 EAADRO COC(=O)[C@@H]1C[C@H](N(C2C[NH2+]C2)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173581745 787822870 /nfs/dbraw/zinc/82/28/70/787822870.db2.gz IQRSHIASNYOYDW-GUDFOSOFSA-N 1 0 334.394 -1.039 20 0 EAADRO COC(=O)[C@@H]1C[C@@H](N(C2C[NH2+]C2)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173581746 787823042 /nfs/dbraw/zinc/82/30/42/787823042.db2.gz IQRSHIASNYOYDW-UIKWRGBMSA-N 1 0 334.394 -1.039 20 0 EAADRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001173634435 787823587 /nfs/dbraw/zinc/82/35/87/787823587.db2.gz GDIAOYZAYFBEPS-AMWJMBAYSA-N 1 0 333.381 -1.502 20 0 EAADRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001173634436 787823191 /nfs/dbraw/zinc/82/31/91/787823191.db2.gz GDIAOYZAYFBEPS-AUTHNMGKSA-N 1 0 333.381 -1.502 20 0 EAADRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001173634437 787821908 /nfs/dbraw/zinc/82/19/08/787821908.db2.gz GDIAOYZAYFBEPS-CFJWECJASA-N 1 0 333.381 -1.502 20 0 EAADRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001173634438 787821883 /nfs/dbraw/zinc/82/18/83/787821883.db2.gz GDIAOYZAYFBEPS-QNGIWVFGSA-N 1 0 333.381 -1.502 20 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OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H](O)[C@@H]1O ZINC001173659855 787823497 /nfs/dbraw/zinc/82/34/97/787823497.db2.gz GSIPFPQYMCIPIB-OOCWMUITSA-N 1 0 344.330 -1.597 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)[C@@H](O)[C@@H]1O ZINC001173743730 787825159 /nfs/dbraw/zinc/82/51/59/787825159.db2.gz DHZCUJZHKXECGM-DEIVRAHUSA-N 1 0 329.357 -2.454 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H]([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)[C@@H](O)[C@@H]1O ZINC001173743732 787824102 /nfs/dbraw/zinc/82/41/02/787824102.db2.gz DHZCUJZHKXECGM-JPUYGHKHSA-N 1 0 329.357 -2.454 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)[C@@H](O)[C@@H]1O ZINC001173743734 787825567 /nfs/dbraw/zinc/82/55/67/787825567.db2.gz DHZCUJZHKXECGM-KFOMTVSFSA-N 1 0 329.357 -2.454 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H]([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)[C@@H](O)[C@@H]1O ZINC001173743736 787825733 /nfs/dbraw/zinc/82/57/33/787825733.db2.gz DHZCUJZHKXECGM-KQWRFTCOSA-N 1 0 329.357 -2.454 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173753757 787825375 /nfs/dbraw/zinc/82/53/75/787825375.db2.gz VLPRYKORCWXONM-NXEZZACHSA-N 1 0 338.372 -2.536 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173753759 787824387 /nfs/dbraw/zinc/82/43/87/787824387.db2.gz VLPRYKORCWXONM-UWVGGRQHSA-N 1 0 338.372 -2.536 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173753761 787824496 /nfs/dbraw/zinc/82/44/96/787824496.db2.gz VLPRYKORCWXONM-VHSXEESVSA-N 1 0 338.372 -2.536 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173753763 787824425 /nfs/dbraw/zinc/82/44/25/787824425.db2.gz VLPRYKORCWXONM-ZJUUUORDSA-N 1 0 338.372 -2.536 20 0 EAADRO NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1cc[nH+]cc1 ZINC001173881684 787825779 /nfs/dbraw/zinc/82/57/79/787825779.db2.gz FOFFMHVOLOTOJR-IDTAVKCVSA-N 1 0 335.320 -1.846 20 0 EAADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2cc[nH+]cc2)[C@@H](O)[C@@H]1O ZINC001173881737 787824752 /nfs/dbraw/zinc/82/47/52/787824752.db2.gz ILEIFEMESSWTNG-ADGXKJENSA-N 1 0 344.331 -1.002 20 0 EAADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2cc[nH+]cc2)[C@H](O)[C@@H]1O ZINC001173881743 787825492 /nfs/dbraw/zinc/82/54/92/787825492.db2.gz ILEIFEMESSWTNG-SDBHATRESA-N 1 0 344.331 -1.002 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001174657909 787827578 /nfs/dbraw/zinc/82/75/78/787827578.db2.gz AHHXUEMVWXNHTA-CHWSQXEVSA-N 1 0 339.440 -1.429 20 0 EAADRO C[C@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001174657911 787827655 /nfs/dbraw/zinc/82/76/55/787827655.db2.gz AHHXUEMVWXNHTA-OLZOCXBDSA-N 1 0 339.440 -1.429 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001174657912 787828428 /nfs/dbraw/zinc/82/84/28/787828428.db2.gz AHHXUEMVWXNHTA-QWHCGFSZSA-N 1 0 339.440 -1.429 20 0 EAADRO C[C@@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001174657913 787827808 /nfs/dbraw/zinc/82/78/08/787827808.db2.gz AHHXUEMVWXNHTA-STQMWFEESA-N 1 0 339.440 -1.429 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001174657965 787827998 /nfs/dbraw/zinc/82/79/98/787827998.db2.gz AWCIKCXXASRYQK-GFCCVEGCSA-N 1 0 327.429 -1.571 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001174657967 787827721 /nfs/dbraw/zinc/82/77/21/787827721.db2.gz AWCIKCXXASRYQK-LBPRGKRZSA-N 1 0 327.429 -1.571 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001174658157 787827365 /nfs/dbraw/zinc/82/73/65/787827365.db2.gz CZDGKPVZXYSNIX-NXEZZACHSA-N 1 0 327.385 -1.276 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001174658183 787827861 /nfs/dbraw/zinc/82/78/61/787827861.db2.gz CZDGKPVZXYSNIX-VHSXEESVSA-N 1 0 327.385 -1.276 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001174658380 787828289 /nfs/dbraw/zinc/82/82/89/787828289.db2.gz IQRXXSRMQRSYEU-CHWSQXEVSA-N 1 0 348.444 -1.057 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001174658381 787828220 /nfs/dbraw/zinc/82/82/20/787828220.db2.gz IQRXXSRMQRSYEU-QWHCGFSZSA-N 1 0 348.444 -1.057 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174658388 787827754 /nfs/dbraw/zinc/82/77/54/787827754.db2.gz IWDZFPFPWYFWLJ-CYBMUJFWSA-N 1 0 344.441 -1.117 20 0 EAADRO Cn1nncc1C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174658389 787827630 /nfs/dbraw/zinc/82/76/30/787827630.db2.gz IWDZFPFPWYFWLJ-ZDUSSCGKSA-N 1 0 344.441 -1.117 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174658584 787828182 /nfs/dbraw/zinc/82/81/82/787828182.db2.gz MRNXIYQLQMKDRH-CYBMUJFWSA-N 1 0 344.441 -1.117 20 0 EAADRO Cn1cnnc1C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174658585 787828315 /nfs/dbraw/zinc/82/83/15/787828315.db2.gz MRNXIYQLQMKDRH-ZDUSSCGKSA-N 1 0 344.441 -1.117 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001174658641 787827545 /nfs/dbraw/zinc/82/75/45/787827545.db2.gz GTSWADDUURVCDF-KBPBESRZSA-N 1 0 344.456 -1.310 20 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/nfs/dbraw/zinc/82/75/55/787827555.db2.gz NTBJKGDRRIXOFW-SNVBAGLBSA-N 1 0 337.446 -1.532 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001174658715 787828094 /nfs/dbraw/zinc/82/80/94/787828094.db2.gz NZVYYGNDWSVPDK-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001174658934 787828118 /nfs/dbraw/zinc/82/81/18/787828118.db2.gz SZEWUMMDOYGCAM-NXEZZACHSA-N 1 0 344.416 -1.237 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001174658935 787828081 /nfs/dbraw/zinc/82/80/81/787828081.db2.gz SZEWUMMDOYGCAM-VHSXEESVSA-N 1 0 344.416 -1.237 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001174659035 787828585 /nfs/dbraw/zinc/82/85/85/787828585.db2.gz JYVFNTUWQFAQHF-CYBMUJFWSA-N 1 0 341.456 -1.229 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001174659036 787827354 /nfs/dbraw/zinc/82/73/54/787827354.db2.gz JYVFNTUWQFAQHF-ZDUSSCGKSA-N 1 0 341.456 -1.229 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+]CC(=O)N2CCC2)CCS(=O)(=O)N1 ZINC001174659102 787828106 /nfs/dbraw/zinc/82/81/06/787828106.db2.gz VIGGMOZHVQNTGC-AWEZNQCLSA-N 1 0 346.453 -1.214 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+]CC(=O)N2CCC2)CCS(=O)(=O)N1 ZINC001174659103 787828256 /nfs/dbraw/zinc/82/82/56/787828256.db2.gz VIGGMOZHVQNTGC-CQSZACIVSA-N 1 0 346.453 -1.214 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174659129 787828048 /nfs/dbraw/zinc/82/80/48/787828048.db2.gz WJMBPDRQKCZOKY-GFCCVEGCSA-N 1 0 345.429 -1.722 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174659130 787827607 /nfs/dbraw/zinc/82/76/07/787827607.db2.gz WJMBPDRQKCZOKY-LBPRGKRZSA-N 1 0 345.429 -1.722 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001174659284 787828282 /nfs/dbraw/zinc/82/82/82/787828282.db2.gz ZECNVEXDGFEDJB-LLVKDONJSA-N 1 0 328.417 -1.056 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001174659305 787827794 /nfs/dbraw/zinc/82/77/94/787827794.db2.gz ZLWLDRWGYJJIOJ-DTWKUNHWSA-N 1 0 330.389 -1.497 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001174659314 787827507 /nfs/dbraw/zinc/82/75/07/787827507.db2.gz ZLWLDRWGYJJIOJ-RKDXNWHRSA-N 1 0 330.389 -1.497 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001174659462 787827902 /nfs/dbraw/zinc/82/79/02/787827902.db2.gz NCAOCWKWXIPZSY-NEPJUHHUSA-N 1 0 327.429 -1.443 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001174659463 787828483 /nfs/dbraw/zinc/82/84/83/787828483.db2.gz NCAOCWKWXIPZSY-NWDGAFQWSA-N 1 0 327.429 -1.443 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001174659464 787827781 /nfs/dbraw/zinc/82/77/81/787827781.db2.gz NCAOCWKWXIPZSY-RYUDHWBXSA-N 1 0 327.429 -1.443 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001174659465 787828242 /nfs/dbraw/zinc/82/82/42/787828242.db2.gz NCAOCWKWXIPZSY-VXGBXAGGSA-N 1 0 327.429 -1.443 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001174659482 787828269 /nfs/dbraw/zinc/82/82/69/787828269.db2.gz NGDYRFIXULOCRB-CHWSQXEVSA-N 1 0 341.456 -1.183 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001174659483 787827531 /nfs/dbraw/zinc/82/75/31/787827531.db2.gz NGDYRFIXULOCRB-OLZOCXBDSA-N 1 0 341.456 -1.183 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001174659484 787828133 /nfs/dbraw/zinc/82/81/33/787828133.db2.gz NGDYRFIXULOCRB-QWHCGFSZSA-N 1 0 341.456 -1.183 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001174659485 787828556 /nfs/dbraw/zinc/82/85/56/787828556.db2.gz NGDYRFIXULOCRB-STQMWFEESA-N 1 0 341.456 -1.183 20 0 EAADRO C[C@@H](CCCC[NH2+]CCOCCO)NC(=O)CN1CCNC(=O)C1 ZINC001174659912 787827948 /nfs/dbraw/zinc/82/79/48/787827948.db2.gz PTUZEQFENAYSTO-AWEZNQCLSA-N 1 0 344.456 -1.308 20 0 EAADRO C[C@H](CCCC[NH2+]CCOCCO)NC(=O)CN1CCNC(=O)C1 ZINC001174659913 787827875 /nfs/dbraw/zinc/82/78/75/787827875.db2.gz PTUZEQFENAYSTO-CQSZACIVSA-N 1 0 344.456 -1.308 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001174660248 787827669 /nfs/dbraw/zinc/82/76/69/787827669.db2.gz QPECZTUHYVCJFD-GHMZBOCLSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001174660256 787827279 /nfs/dbraw/zinc/82/72/79/787827279.db2.gz QPECZTUHYVCJFD-MNOVXSKESA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001174660258 787827890 /nfs/dbraw/zinc/82/78/90/787827890.db2.gz QPECZTUHYVCJFD-QWRGUYRKSA-N 1 0 341.412 -1.157 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001174660259 787827197 /nfs/dbraw/zinc/82/71/97/787827197.db2.gz QPECZTUHYVCJFD-WDEREUQCSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCNC1=O ZINC001174660719 787827678 /nfs/dbraw/zinc/82/76/78/787827678.db2.gz SXGZZPRLXIDBQQ-NXEZZACHSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCNC1=O ZINC001174660724 787827732 /nfs/dbraw/zinc/82/77/32/787827732.db2.gz SXGZZPRLXIDBQQ-UWVGGRQHSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCNC1=O ZINC001174660726 787827741 /nfs/dbraw/zinc/82/77/41/787827741.db2.gz SXGZZPRLXIDBQQ-VHSXEESVSA-N 1 0 327.385 -1.418 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCNC1=O ZINC001174660728 787828570 /nfs/dbraw/zinc/82/85/70/787828570.db2.gz SXGZZPRLXIDBQQ-ZJUUUORDSA-N 1 0 327.385 -1.418 20 0 EAADRO CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001174661539 787827265 /nfs/dbraw/zinc/82/72/65/787827265.db2.gz WPNWPAXLRPPVAV-CHWSQXEVSA-N 1 0 341.456 -1.053 20 0 EAADRO CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001174661545 787828156 /nfs/dbraw/zinc/82/81/56/787828156.db2.gz WPNWPAXLRPPVAV-OLZOCXBDSA-N 1 0 341.456 -1.053 20 0 EAADRO CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001174661550 787827471 /nfs/dbraw/zinc/82/74/71/787827471.db2.gz WPNWPAXLRPPVAV-QWHCGFSZSA-N 1 0 341.456 -1.053 20 0 EAADRO CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001174661552 787827969 /nfs/dbraw/zinc/82/79/69/787827969.db2.gz WPNWPAXLRPPVAV-STQMWFEESA-N 1 0 341.456 -1.053 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001174665643 787827920 /nfs/dbraw/zinc/82/79/20/787827920.db2.gz BLODOIOPPNTZMZ-LLVKDONJSA-N 1 0 341.412 -1.013 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001174665644 787827296 /nfs/dbraw/zinc/82/72/96/787827296.db2.gz BLODOIOPPNTZMZ-NSHDSACASA-N 1 0 341.412 -1.013 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)nn1 ZINC001174665658 787828027 /nfs/dbraw/zinc/82/80/27/787828027.db2.gz BYMHVGKGVAYBMF-CYBMUJFWSA-N 1 0 344.441 -1.117 20 0 EAADRO Cn1cc(C[NH2+]CCCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)nn1 ZINC001174665659 787827428 /nfs/dbraw/zinc/82/74/28/787827428.db2.gz BYMHVGKGVAYBMF-ZDUSSCGKSA-N 1 0 344.441 -1.117 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+]CCOCCO)CCS(=O)(=O)N1 ZINC001174665660 787828014 /nfs/dbraw/zinc/82/80/14/787828014.db2.gz CAXZFFWHOXTMSM-CYBMUJFWSA-N 1 0 337.442 -1.437 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+]CCOCCO)CCS(=O)(=O)N1 ZINC001174665661 787827338 /nfs/dbraw/zinc/82/73/38/787827338.db2.gz CAXZFFWHOXTMSM-ZDUSSCGKSA-N 1 0 337.442 -1.437 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)CCS(=O)(=O)N1 ZINC001174665811 787828399 /nfs/dbraw/zinc/82/83/99/787828399.db2.gz DQWQHVZTPYHISN-GFCCVEGCSA-N 1 0 349.413 -2.251 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)CCS(=O)(=O)N1 ZINC001174665812 787827212 /nfs/dbraw/zinc/82/72/12/787827212.db2.gz DQWQHVZTPYHISN-LBPRGKRZSA-N 1 0 349.413 -2.251 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+]CCn2cncn2)CCS(=O)(=O)N1 ZINC001174665855 787827568 /nfs/dbraw/zinc/82/75/68/787827568.db2.gz FKROKDMVDWXMFP-CYBMUJFWSA-N 1 0 344.441 -1.154 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+]CCn2cncn2)CCS(=O)(=O)N1 ZINC001174665856 787828232 /nfs/dbraw/zinc/82/82/32/787828232.db2.gz FKROKDMVDWXMFP-ZDUSSCGKSA-N 1 0 344.441 -1.154 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+]CC(=O)NC2CC2)CCS(=O)(=O)N1 ZINC001174665867 787828608 /nfs/dbraw/zinc/82/86/08/787828608.db2.gz FOYQBCWYINUWMY-AWEZNQCLSA-N 1 0 346.453 -1.167 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+]CC(=O)NC2CC2)CCS(=O)(=O)N1 ZINC001174665868 787827708 /nfs/dbraw/zinc/82/77/08/787827708.db2.gz FOYQBCWYINUWMY-CQSZACIVSA-N 1 0 346.453 -1.167 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174665879 787827833 /nfs/dbraw/zinc/82/78/33/787827833.db2.gz FVWBIJSEBWLDMJ-CYBMUJFWSA-N 1 0 334.442 -1.358 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174665880 787827223 /nfs/dbraw/zinc/82/72/23/787827223.db2.gz FVWBIJSEBWLDMJ-ZDUSSCGKSA-N 1 0 334.442 -1.358 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(N)=O ZINC001174665968 787827847 /nfs/dbraw/zinc/82/78/47/787827847.db2.gz GMLDPWPTWNQZES-GWCFXTLKSA-N 1 0 334.442 -1.182 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(N)=O ZINC001174665973 787828621 /nfs/dbraw/zinc/82/86/21/787828621.db2.gz GMLDPWPTWNQZES-GXFFZTMASA-N 1 0 334.442 -1.182 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(N)=O ZINC001174665974 787827819 /nfs/dbraw/zinc/82/78/19/787827819.db2.gz GMLDPWPTWNQZES-MFKMUULPSA-N 1 0 334.442 -1.182 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(N)=O ZINC001174665976 787827960 /nfs/dbraw/zinc/82/79/60/787827960.db2.gz GMLDPWPTWNQZES-ZWNOBZJWSA-N 1 0 334.442 -1.182 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CCS(=O)(=O)N1 ZINC001174666061 787827696 /nfs/dbraw/zinc/82/76/96/787827696.db2.gz HWNLTNBMSVVVTG-BXUZGUMPSA-N 1 0 346.453 -1.167 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)CCS(=O)(=O)N1 ZINC001174666062 787828633 /nfs/dbraw/zinc/82/86/33/787828633.db2.gz HWNLTNBMSVVVTG-FZMZJTMJSA-N 1 0 346.453 -1.167 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CCS(=O)(=O)N1 ZINC001174666063 787828536 /nfs/dbraw/zinc/82/85/36/787828536.db2.gz HWNLTNBMSVVVTG-RISCZKNCSA-N 1 0 346.453 -1.167 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)CCS(=O)(=O)N1 ZINC001174666064 787827458 /nfs/dbraw/zinc/82/74/58/787827458.db2.gz HWNLTNBMSVVVTG-SMDDNHRTSA-N 1 0 346.453 -1.167 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174666105 787827172 /nfs/dbraw/zinc/82/71/72/787827172.db2.gz IZNWMUXJEFUPKS-AAEUAGOBSA-N 1 0 337.442 -1.439 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174666106 787827311 /nfs/dbraw/zinc/82/73/11/787827311.db2.gz IZNWMUXJEFUPKS-DGCLKSJQSA-N 1 0 337.442 -1.439 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174666107 787827324 /nfs/dbraw/zinc/82/73/24/787827324.db2.gz IZNWMUXJEFUPKS-WCQYABFASA-N 1 0 337.442 -1.439 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174666108 787827493 /nfs/dbraw/zinc/82/74/93/787827493.db2.gz IZNWMUXJEFUPKS-YPMHNXCESA-N 1 0 337.442 -1.439 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1=O ZINC001174666169 787827592 /nfs/dbraw/zinc/82/75/92/787827592.db2.gz KKTOOCUDGIRXGC-BXUZGUMPSA-N 1 0 346.453 -1.215 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1=O ZINC001174666170 787828647 /nfs/dbraw/zinc/82/86/47/787828647.db2.gz KKTOOCUDGIRXGC-FZMZJTMJSA-N 1 0 346.453 -1.215 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1=O ZINC001174666171 787828361 /nfs/dbraw/zinc/82/83/61/787828361.db2.gz KKTOOCUDGIRXGC-RISCZKNCSA-N 1 0 346.453 -1.215 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1=O ZINC001174666172 787828472 /nfs/dbraw/zinc/82/84/72/787828472.db2.gz KKTOOCUDGIRXGC-SMDDNHRTSA-N 1 0 346.453 -1.215 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174666693 787827416 /nfs/dbraw/zinc/82/74/16/787827416.db2.gz QLLHSUQLHADGIO-CYBMUJFWSA-N 1 0 334.442 -1.310 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174666694 787828209 /nfs/dbraw/zinc/82/82/09/787828209.db2.gz QLLHSUQLHADGIO-ZDUSSCGKSA-N 1 0 334.442 -1.310 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)n1 ZINC001174666703 787828440 /nfs/dbraw/zinc/82/84/40/787828440.db2.gz QOEKTLBQFZBWFT-CYBMUJFWSA-N 1 0 344.441 -1.117 20 0 EAADRO Cn1ncc(C[NH2+]CCCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)n1 ZINC001174666704 787828509 /nfs/dbraw/zinc/82/85/09/787828509.db2.gz QOEKTLBQFZBWFT-ZDUSSCGKSA-N 1 0 344.441 -1.117 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001174666969 787828911 /nfs/dbraw/zinc/82/89/11/787828911.db2.gz SAJISPJUVYGEFL-JTQLQIEISA-N 1 0 327.385 -1.274 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001174666976 787829192 /nfs/dbraw/zinc/82/91/92/787829192.db2.gz SAJISPJUVYGEFL-SNVBAGLBSA-N 1 0 327.385 -1.274 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+][C@H]2CCNC2=O)CCS(=O)(=O)N1 ZINC001174666996 787829135 /nfs/dbraw/zinc/82/91/35/787829135.db2.gz SKNFTUDGYCXRFV-GWCFXTLKSA-N 1 0 332.426 -1.557 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+][C@H]2CCNC2=O)CCS(=O)(=O)N1 ZINC001174667002 787828803 /nfs/dbraw/zinc/82/88/03/787828803.db2.gz SKNFTUDGYCXRFV-GXFFZTMASA-N 1 0 332.426 -1.557 20 0 EAADRO C[C@@]1(CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)CCS(=O)(=O)N1 ZINC001174667004 787829533 /nfs/dbraw/zinc/82/95/33/787829533.db2.gz SKNFTUDGYCXRFV-MFKMUULPSA-N 1 0 332.426 -1.557 20 0 EAADRO C[C@]1(CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)CCS(=O)(=O)N1 ZINC001174667007 787829522 /nfs/dbraw/zinc/82/95/22/787829522.db2.gz SKNFTUDGYCXRFV-ZWNOBZJWSA-N 1 0 332.426 -1.557 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174667233 787829231 /nfs/dbraw/zinc/82/92/31/787829231.db2.gz WDURCZSZVKFHCV-CYBMUJFWSA-N 1 0 344.441 -1.117 20 0 EAADRO Cn1ncnc1C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174667234 787829342 /nfs/dbraw/zinc/82/93/42/787829342.db2.gz WDURCZSZVKFHCV-ZDUSSCGKSA-N 1 0 344.441 -1.117 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174667253 787828970 /nfs/dbraw/zinc/82/89/70/787828970.db2.gz WQLWIJCWFRZMKH-GWCFXTLKSA-N 1 0 334.442 -1.311 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174667254 787829862 /nfs/dbraw/zinc/82/98/62/787829862.db2.gz WQLWIJCWFRZMKH-GXFFZTMASA-N 1 0 334.442 -1.311 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174667255 787829848 /nfs/dbraw/zinc/82/98/48/787829848.db2.gz WQLWIJCWFRZMKH-MFKMUULPSA-N 1 0 334.442 -1.311 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174667256 787829034 /nfs/dbraw/zinc/82/90/34/787829034.db2.gz WQLWIJCWFRZMKH-ZWNOBZJWSA-N 1 0 334.442 -1.311 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001174693908 787831038 /nfs/dbraw/zinc/83/10/38/787831038.db2.gz FBGLRMJLURRPTN-NXEZZACHSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001174693909 787830910 /nfs/dbraw/zinc/83/09/10/787830910.db2.gz FBGLRMJLURRPTN-UWVGGRQHSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001174693910 787831231 /nfs/dbraw/zinc/83/12/31/787831231.db2.gz FBGLRMJLURRPTN-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001174693911 787830484 /nfs/dbraw/zinc/83/04/84/787830484.db2.gz FBGLRMJLURRPTN-ZJUUUORDSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001174694148 787831370 /nfs/dbraw/zinc/83/13/70/787831370.db2.gz HOHGUXYOOUQIEB-GHMZBOCLSA-N 1 0 338.416 -1.002 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001174694149 787831710 /nfs/dbraw/zinc/83/17/10/787831710.db2.gz HOHGUXYOOUQIEB-MNOVXSKESA-N 1 0 338.416 -1.002 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001174694150 787831180 /nfs/dbraw/zinc/83/11/80/787831180.db2.gz HOHGUXYOOUQIEB-QWRGUYRKSA-N 1 0 338.416 -1.002 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001174694151 787830570 /nfs/dbraw/zinc/83/05/70/787830570.db2.gz HOHGUXYOOUQIEB-WDEREUQCSA-N 1 0 338.416 -1.002 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC ZINC001174721929 787830288 /nfs/dbraw/zinc/83/02/88/787830288.db2.gz GMCUDTQFDFCCES-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001174721952 787830336 /nfs/dbraw/zinc/83/03/36/787830336.db2.gz HHMDVQRGLIHBCR-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001174721953 787831115 /nfs/dbraw/zinc/83/11/15/787831115.db2.gz HHMDVQRGLIHBCR-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001174722245 787830538 /nfs/dbraw/zinc/83/05/38/787830538.db2.gz LIEDMEWSOCFVNT-GFCCVEGCSA-N 1 0 339.458 -1.191 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001174722246 787831062 /nfs/dbraw/zinc/83/10/62/787831062.db2.gz LIEDMEWSOCFVNT-LBPRGKRZSA-N 1 0 339.458 -1.191 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001174722640 787830702 /nfs/dbraw/zinc/83/07/02/787830702.db2.gz TXEDMYKNXKPRKK-UHFFFAOYSA-N 1 0 347.445 -1.475 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001174722773 787831323 /nfs/dbraw/zinc/83/13/23/787831323.db2.gz VEPOEYNOTUAALV-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001174722879 787831412 /nfs/dbraw/zinc/83/14/12/787831412.db2.gz XJRZTNLTAFGTJR-LLVKDONJSA-N 1 0 334.442 -1.310 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001174722880 787830593 /nfs/dbraw/zinc/83/05/93/787830593.db2.gz XJRZTNLTAFGTJR-NSHDSACASA-N 1 0 334.442 -1.310 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)NCCC[NH2+]CCOCCO ZINC001174722917 787831563 /nfs/dbraw/zinc/83/15/63/787831563.db2.gz ZNSKLYDDRXTITC-UHFFFAOYSA-N 1 0 339.458 -1.189 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnn(C)c1OC ZINC001174730740 787830471 /nfs/dbraw/zinc/83/04/71/787830471.db2.gz ASZJUQXEQBSMDW-UHFFFAOYSA-N 1 0 340.384 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnn(C)c1OC ZINC001174731167 787830413 /nfs/dbraw/zinc/83/04/13/787830413.db2.gz JZMLYKYCWPMSID-UHFFFAOYSA-N 1 0 326.357 -1.406 20 0 EAADRO COc1c(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)cnn1C ZINC001174731208 787831050 /nfs/dbraw/zinc/83/10/50/787831050.db2.gz KYCNUWRYXLYJBF-UHFFFAOYSA-N 1 0 339.396 -1.003 20 0 EAADRO COc1c(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)cnn1C ZINC001174737925 787831575 /nfs/dbraw/zinc/83/15/75/787831575.db2.gz GFCYKPPZSJNHAM-UHFFFAOYSA-N 1 0 338.368 -1.310 20 0 EAADRO COc1c(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)cnn1C ZINC001174738011 787830348 /nfs/dbraw/zinc/83/03/48/787830348.db2.gz IYRMUWRDOCAEDW-MRVPVSSYSA-N 1 0 326.357 -1.278 20 0 EAADRO COc1c(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)cnn1C ZINC001174738013 787831217 /nfs/dbraw/zinc/83/12/17/787831217.db2.gz IYRMUWRDOCAEDW-QMMMGPOBSA-N 1 0 326.357 -1.278 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnn(C)c1OC ZINC001174738576 787831479 /nfs/dbraw/zinc/83/14/79/787831479.db2.gz TWCDXSJSDRSAAR-SECBINFHSA-N 1 0 340.384 -1.018 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cnn(C)c1OC ZINC001174738577 787830799 /nfs/dbraw/zinc/83/07/99/787830799.db2.gz TWCDXSJSDRSAAR-VIFPVBQESA-N 1 0 340.384 -1.018 20 0 EAADRO COc1c(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)cnn1C ZINC001174738687 787831739 /nfs/dbraw/zinc/83/17/39/787831739.db2.gz VGSQZZHYZMZCEV-UHFFFAOYSA-N 1 0 333.414 -1.313 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nnn(C)n1 ZINC001174758478 787830746 /nfs/dbraw/zinc/83/07/46/787830746.db2.gz OPRBGNKKCFASNH-SECBINFHSA-N 1 0 337.388 -1.290 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nnn(C)n1 ZINC001174758492 787831748 /nfs/dbraw/zinc/83/17/48/787831748.db2.gz OPRBGNKKCFASNH-VIFPVBQESA-N 1 0 337.388 -1.290 20 0 EAADRO Cn1nnc2ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cc21 ZINC001174761319 787831793 /nfs/dbraw/zinc/83/17/93/787831793.db2.gz MXKLUCXLWJBICY-UHFFFAOYSA-N 1 0 333.352 -1.127 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001174765392 787831028 /nfs/dbraw/zinc/83/10/28/787831028.db2.gz DOTBOWSPWNDKBA-SECBINFHSA-N 1 0 340.388 -1.456 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001174765402 787831337 /nfs/dbraw/zinc/83/13/37/787831337.db2.gz DOTBOWSPWNDKBA-VIFPVBQESA-N 1 0 340.388 -1.456 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)c1nnn(C)n1 ZINC001174765570 787830647 /nfs/dbraw/zinc/83/06/47/787830647.db2.gz FXFRYYXQYISVSY-NXEZZACHSA-N 1 0 337.384 -1.107 20 0 EAADRO C[C@@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)c1nnn(C)n1 ZINC001174765571 787830849 /nfs/dbraw/zinc/83/08/49/787830849.db2.gz FXFRYYXQYISVSY-UWVGGRQHSA-N 1 0 337.384 -1.107 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)c1nnn(C)n1 ZINC001174765572 787830862 /nfs/dbraw/zinc/83/08/62/787830862.db2.gz FXFRYYXQYISVSY-VHSXEESVSA-N 1 0 337.384 -1.107 20 0 EAADRO C[C@H](CCCC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)c1nnn(C)n1 ZINC001174765573 787831166 /nfs/dbraw/zinc/83/11/66/787831166.db2.gz FXFRYYXQYISVSY-ZJUUUORDSA-N 1 0 337.384 -1.107 20 0 EAADRO C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001174766258 787831584 /nfs/dbraw/zinc/83/15/84/787831584.db2.gz PBZZRPHRROAXAD-JTQLQIEISA-N 1 0 347.445 -1.363 20 0 EAADRO C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001174766259 787830367 /nfs/dbraw/zinc/83/03/67/787830367.db2.gz PBZZRPHRROAXAD-SNVBAGLBSA-N 1 0 347.445 -1.363 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1nnn(C)n1 ZINC001174767440 787830326 /nfs/dbraw/zinc/83/03/26/787830326.db2.gz XORHJYAMRNAQAT-MRVPVSSYSA-N 1 0 326.361 -1.717 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1nnn(C)n1 ZINC001174767447 787831242 /nfs/dbraw/zinc/83/12/42/787831242.db2.gz XORHJYAMRNAQAT-QMMMGPOBSA-N 1 0 326.361 -1.717 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)c1nnn(C)n1 ZINC001174781303 787831683 /nfs/dbraw/zinc/83/16/83/787831683.db2.gz ARGHBRATFFCZOM-BDAKNGLRSA-N 1 0 340.388 -1.328 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)c1nnn(C)n1)C(=O)NC(N)=O ZINC001174781309 787830877 /nfs/dbraw/zinc/83/08/77/787830877.db2.gz ARGHBRATFFCZOM-DTWKUNHWSA-N 1 0 340.388 -1.328 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)c1nnn(C)n1 ZINC001174781311 787830459 /nfs/dbraw/zinc/83/04/59/787830459.db2.gz ARGHBRATFFCZOM-IUCAKERBSA-N 1 0 340.388 -1.328 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)c1nnn(C)n1 ZINC001174781312 787831206 /nfs/dbraw/zinc/83/12/06/787831206.db2.gz ARGHBRATFFCZOM-RKDXNWHRSA-N 1 0 340.388 -1.328 20 0 EAADRO CC(=O)N(C)CCCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001174783298 787830625 /nfs/dbraw/zinc/83/06/25/787830625.db2.gz HEHDNPSZALOUQO-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CC(=O)N(C)CCCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001174783326 787831602 /nfs/dbraw/zinc/83/16/02/787831602.db2.gz IUBBJDAWAYGEST-UHFFFAOYSA-N 1 0 341.412 -1.107 20 0 EAADRO CC(=O)N(C)CCCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001174784310 787831660 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CC(=O)N1CC[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001174835749 787830400 /nfs/dbraw/zinc/83/04/00/787830400.db2.gz KBOXKCPEEOKBBV-LBPRGKRZSA-N 1 0 339.396 -1.498 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001174836104 787831616 /nfs/dbraw/zinc/83/16/16/787831616.db2.gz OJIYSCUXWDXSIT-UHFFFAOYSA-N 1 0 337.384 -1.139 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174836108 787831551 /nfs/dbraw/zinc/83/15/51/787831551.db2.gz ONNPEEOSNFMMSL-LLVKDONJSA-N 1 0 327.385 -1.594 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001174836109 787832950 /nfs/dbraw/zinc/83/29/50/787832950.db2.gz ONNPEEOSNFMMSL-NSHDSACASA-N 1 0 327.385 -1.594 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174836170 787831986 /nfs/dbraw/zinc/83/19/86/787831986.db2.gz QSWPHPCBKMPYAK-CABCVRRESA-N 1 0 345.440 -1.025 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001174836171 787833402 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CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001174836352 787833451 /nfs/dbraw/zinc/83/34/51/787833451.db2.gz TVSABSZAZZESSE-ZDUSSCGKSA-N 1 0 348.469 -1.110 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001174836411 787832696 /nfs/dbraw/zinc/83/26/96/787832696.db2.gz VGBQWKXJXWRNHO-CYBMUJFWSA-N 1 0 325.413 -1.024 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001174836412 787831971 /nfs/dbraw/zinc/83/19/71/787831971.db2.gz VGBQWKXJXWRNHO-ZDUSSCGKSA-N 1 0 325.413 -1.024 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001174843185 787833520 /nfs/dbraw/zinc/83/35/20/787833520.db2.gz LYGWIKCSJLVXIG-UHFFFAOYSA-N 1 0 326.357 -1.566 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnn(CCOC)c1 ZINC001174843824 787832134 /nfs/dbraw/zinc/83/21/34/787832134.db2.gz XMOLPBHTZUVRLW-UHFFFAOYSA-N 1 0 340.384 -1.305 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)cn1 ZINC001174850883 787833464 /nfs/dbraw/zinc/83/34/64/787833464.db2.gz HHZIVRROEUFHFP-JTQLQIEISA-N 1 0 340.384 -1.178 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)cn1 ZINC001174850890 787833665 /nfs/dbraw/zinc/83/36/65/787833665.db2.gz HHZIVRROEUFHFP-SNVBAGLBSA-N 1 0 340.384 -1.178 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001174851227 787832632 /nfs/dbraw/zinc/83/26/32/787832632.db2.gz NSEQWZIVWIPMGL-UHFFFAOYSA-N 1 0 347.335 -1.365 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174851438 787833289 /nfs/dbraw/zinc/83/32/89/787833289.db2.gz RHLNWWJGXZUJGH-CMPLNLGQSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001174851439 787833579 /nfs/dbraw/zinc/83/35/79/787833579.db2.gz RHLNWWJGXZUJGH-JQWIXIFHSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001174851440 787833203 /nfs/dbraw/zinc/83/32/03/787833203.db2.gz RHLNWWJGXZUJGH-PWSUYJOCSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174851441 787833169 /nfs/dbraw/zinc/83/31/69/787833169.db2.gz RHLNWWJGXZUJGH-ZYHUDNBSSA-N 1 0 341.412 -1.205 20 0 EAADRO COCCn1cc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001174851572 787832521 /nfs/dbraw/zinc/83/25/21/787832521.db2.gz SKMOTZWIDOSJNH-UHFFFAOYSA-N 1 0 347.441 -1.212 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001174851711 787832010 /nfs/dbraw/zinc/83/20/10/787832010.db2.gz ZFIXGJZCOLJBJB-GXSJLCMTSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001174851712 787833174 /nfs/dbraw/zinc/83/31/74/787833174.db2.gz ZFIXGJZCOLJBJB-KOLCDFICSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001174851713 787832508 /nfs/dbraw/zinc/83/25/08/787832508.db2.gz ZFIXGJZCOLJBJB-MWLCHTKSSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001174851714 787833415 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COc1ccc(C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)nn1 ZINC001174918746 787832043 /nfs/dbraw/zinc/83/20/43/787832043.db2.gz DSGPGXWZDCAFDY-UHFFFAOYSA-N 1 0 345.425 -1.028 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001174918747 787833614 /nfs/dbraw/zinc/83/36/14/787833614.db2.gz DSPDPWKBPKMHKG-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO COc1nccc(C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001174918986 787832241 /nfs/dbraw/zinc/83/22/41/787832241.db2.gz FUAYHLKHHAUFDT-UHFFFAOYSA-N 1 0 345.425 -1.028 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001174918992 787833476 /nfs/dbraw/zinc/83/34/76/787833476.db2.gz FVGDVHNGZYZBKQ-UHFFFAOYSA-N 1 0 334.402 -2.404 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174919077 787832213 /nfs/dbraw/zinc/83/22/13/787832213.db2.gz GNOMGCRSYMVWTB-UHFFFAOYSA-N 1 0 336.458 -1.158 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)n1C ZINC001174919128 787831866 /nfs/dbraw/zinc/83/18/66/787831866.db2.gz IDIUKAGKCQSGNU-UHFFFAOYSA-N 1 0 346.457 -1.135 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001174919173 787832186 /nfs/dbraw/zinc/83/21/86/787832186.db2.gz IIBWDJUKPBMYSB-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001174919224 787833139 /nfs/dbraw/zinc/83/31/39/787833139.db2.gz IVOLNVZVUOQJKW-UHFFFAOYSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001174919231 787833331 /nfs/dbraw/zinc/83/33/31/787833331.db2.gz IZPOLGSYFNNBAY-UHFFFAOYSA-N 1 0 344.437 -1.127 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174919379 787832800 /nfs/dbraw/zinc/83/28/00/787832800.db2.gz KNCPKRNTSYEZBD-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174919380 787832415 /nfs/dbraw/zinc/83/24/15/787832415.db2.gz KNCPKRNTSYEZBD-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174919430 787833316 /nfs/dbraw/zinc/83/33/16/787833316.db2.gz MLYLXQUOMMKXQD-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001174919670 787832847 /nfs/dbraw/zinc/83/28/47/787832847.db2.gz OKGRXPHOCLRIMP-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174919751 787832884 /nfs/dbraw/zinc/83/28/84/787832884.db2.gz QWTOQNXJRQXDQG-UHFFFAOYSA-N 1 0 332.430 -1.215 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001174919956 787833357 /nfs/dbraw/zinc/83/33/57/787833357.db2.gz TVDYVMJHIDDRCD-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001174919973 787834696 /nfs/dbraw/zinc/83/46/96/787834696.db2.gz UOHVUSSXNCELGH-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174920070 787834819 /nfs/dbraw/zinc/83/48/19/787834819.db2.gz WYTRYBVPFFEBRZ-UHFFFAOYSA-N 1 0 336.458 -1.160 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174920140 787834760 /nfs/dbraw/zinc/83/47/60/787834760.db2.gz YEDDKIMBYMTXOG-UHFFFAOYSA-N 1 0 332.430 -1.215 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001174920213 787835119 /nfs/dbraw/zinc/83/51/19/787835119.db2.gz ZBMUVSIKKODTPQ-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001174920302 787835276 /nfs/dbraw/zinc/83/52/76/787835276.db2.gz ZJBAVLKWQBKKLG-UHFFFAOYSA-N 1 0 329.444 -1.982 20 0 EAADRO COc1cncc(C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001174926722 787834449 /nfs/dbraw/zinc/83/44/49/787834449.db2.gz AFIRIOWMLRPDNO-UHFFFAOYSA-N 1 0 345.425 -1.028 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174926765 787834780 /nfs/dbraw/zinc/83/47/80/787834780.db2.gz BKSYABOAIJEDJL-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174926766 787834960 /nfs/dbraw/zinc/83/49/60/787834960.db2.gz BKSYABOAIJEDJL-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001174926792 787834721 /nfs/dbraw/zinc/83/47/21/787834721.db2.gz CLDFBMSMKKYCQV-LLVKDONJSA-N 1 0 344.441 -1.247 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001174926793 787835154 /nfs/dbraw/zinc/83/51/54/787835154.db2.gz CLDFBMSMKKYCQV-NSHDSACASA-N 1 0 344.441 -1.247 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001174926798 787835230 /nfs/dbraw/zinc/83/52/30/787835230.db2.gz CMPCMFQLOXFMHF-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001174926799 787834236 /nfs/dbraw/zinc/83/42/36/787834236.db2.gz CMPCMFQLOXFMHF-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001174926811 787833889 /nfs/dbraw/zinc/83/38/89/787833889.db2.gz CXGDUHMRHSFCAI-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001174926812 787834281 /nfs/dbraw/zinc/83/42/81/787834281.db2.gz CXGDUHMRHSFCAI-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CCCn1nnnc1C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174926932 787835013 /nfs/dbraw/zinc/83/50/13/787835013.db2.gz DTJIJLMPDSWWBQ-UHFFFAOYSA-N 1 0 347.445 -1.430 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C(=O)NC1CC1 ZINC001174926990 787833855 /nfs/dbraw/zinc/83/38/55/787833855.db2.gz GQSRADSCLSQXFR-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C(=O)NC1CC1 ZINC001174926991 787835037 /nfs/dbraw/zinc/83/50/37/787835037.db2.gz GQSRADSCLSQXFR-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001174926994 787833961 /nfs/dbraw/zinc/83/39/61/787833961.db2.gz GUGUAVNLRNIOKP-UHFFFAOYSA-N 1 0 349.413 -2.475 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001174927003 787834198 /nfs/dbraw/zinc/83/41/98/787834198.db2.gz GYRWPCOKRATCQI-UHFFFAOYSA-N 1 0 348.425 -1.877 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)c1nncn1C ZINC001174927012 787834972 /nfs/dbraw/zinc/83/49/72/787834972.db2.gz HHXBIYAVWHBILY-JTQLQIEISA-N 1 0 332.430 -1.137 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)c1nncn1C ZINC001174927013 787834365 /nfs/dbraw/zinc/83/43/65/787834365.db2.gz HHXBIYAVWHBILY-SNVBAGLBSA-N 1 0 332.430 -1.137 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001174927169 787833897 /nfs/dbraw/zinc/83/38/97/787833897.db2.gz HOQGCZVQKCKARK-UHFFFAOYSA-N 1 0 347.397 -1.400 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001174927225 787834319 /nfs/dbraw/zinc/83/43/19/787834319.db2.gz IGFOADVPKHGDSO-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001174927227 787834590 /nfs/dbraw/zinc/83/45/90/787834590.db2.gz IGFOADVPKHGDSO-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001174927268 787834095 /nfs/dbraw/zinc/83/40/95/787834095.db2.gz ITUVCOAJCHKMLZ-UHFFFAOYSA-N 1 0 335.430 -2.001 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001174927307 787834683 /nfs/dbraw/zinc/83/46/83/787834683.db2.gz JSOSQIFETNSKQC-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001174927308 787833807 /nfs/dbraw/zinc/83/38/07/787833807.db2.gz JSOSQIFETNSKQC-LBPRGKRZSA-N 1 0 348.469 -1.017 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C)S(C)(=O)=O ZINC001174927475 787833821 /nfs/dbraw/zinc/83/38/21/787833821.db2.gz KAQHTNFVRVDZKM-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C)S(C)(=O)=O ZINC001174927477 787835204 /nfs/dbraw/zinc/83/52/04/787835204.db2.gz KAQHTNFVRVDZKM-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001174927551 787833918 /nfs/dbraw/zinc/83/39/18/787833918.db2.gz KRZWUYJLTFNCSE-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001174927554 787835218 /nfs/dbraw/zinc/83/52/18/787835218.db2.gz KSPQGYGZHRMBCI-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001174927561 787833793 /nfs/dbraw/zinc/83/37/93/787833793.db2.gz KSPQGYGZHRMBCI-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)nn1 ZINC001174927609 787835349 /nfs/dbraw/zinc/83/53/49/787835349.db2.gz MIPOONJAFKXAEQ-UHFFFAOYSA-N 1 0 332.430 -1.215 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)c1nnnn1C ZINC001174927720 787834529 /nfs/dbraw/zinc/83/45/29/787834529.db2.gz MWUDHBFOZLCDKG-SECBINFHSA-N 1 0 333.418 -1.742 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)c1nnnn1C ZINC001174927721 787833929 /nfs/dbraw/zinc/83/39/29/787833929.db2.gz MWUDHBFOZLCDKG-VIFPVBQESA-N 1 0 333.418 -1.742 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174927724 787834843 /nfs/dbraw/zinc/83/48/43/787834843.db2.gz NGXLLLPHRIFVGQ-UHFFFAOYSA-N 1 0 325.431 -1.363 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001174927787 787834736 /nfs/dbraw/zinc/83/47/36/787834736.db2.gz OKLVUWIQOIIXLJ-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001174927789 787834870 /nfs/dbraw/zinc/83/48/70/787834870.db2.gz OKLVUWIQOIIXLJ-NSHDSACASA-N 1 0 334.442 -1.406 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001174927858 787834806 /nfs/dbraw/zinc/83/48/06/787834806.db2.gz PNOFGLOZFDVNBT-UHFFFAOYSA-N 1 0 334.442 -1.500 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001174928102 787834947 /nfs/dbraw/zinc/83/49/47/787834947.db2.gz SVSPCMKVNXHYMF-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001174928103 787833948 /nfs/dbraw/zinc/83/39/48/787833948.db2.gz SVSPCMKVNXHYMF-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001174928442 787833648 /nfs/dbraw/zinc/83/36/48/787833648.db2.gz UMMAPOGVFCGQHV-UHFFFAOYSA-N 1 0 343.471 -1.592 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C(=O)NC(N)=O ZINC001174928465 787833535 /nfs/dbraw/zinc/83/35/35/787833535.db2.gz UZNZMFWLHHVIPK-MRVPVSSYSA-N 1 0 337.402 -2.443 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C(=O)NC(N)=O ZINC001174928466 787832606 /nfs/dbraw/zinc/83/26/06/787832606.db2.gz UZNZMFWLHHVIPK-QMMMGPOBSA-N 1 0 337.402 -2.443 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001174928467 787832791 /nfs/dbraw/zinc/83/27/91/787832791.db2.gz VBIGIWBZWGXHLZ-UHFFFAOYSA-N 1 0 344.459 -2.477 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174928470 787832491 /nfs/dbraw/zinc/83/24/91/787832491.db2.gz VDACFHUIMPSWDE-UHFFFAOYSA-N 1 0 336.458 -1.254 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001174928493 787832709 /nfs/dbraw/zinc/83/27/09/787832709.db2.gz VUJGQMJTHMHORQ-SECBINFHSA-N 1 0 334.398 -2.221 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001174928494 787833692 /nfs/dbraw/zinc/83/36/92/787833692.db2.gz VUJGQMJTHMHORQ-VIFPVBQESA-N 1 0 334.398 -2.221 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001174928499 787832428 /nfs/dbraw/zinc/83/24/28/787832428.db2.gz VYNFUZOEZACMGM-UHFFFAOYSA-N 1 0 346.457 -1.118 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001174928511 787832857 /nfs/dbraw/zinc/83/28/57/787832857.db2.gz VZLPHBXKNTYFJM-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001174928513 787832776 /nfs/dbraw/zinc/83/27/76/787832776.db2.gz VZLPHBXKNTYFJM-NSHDSACASA-N 1 0 334.442 -1.406 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001174928739 787832117 /nfs/dbraw/zinc/83/21/17/787832117.db2.gz YQZOUPLYVRACAQ-UHFFFAOYSA-N 1 0 334.442 -1.404 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCc1ccnn1C ZINC001174928768 787833385 /nfs/dbraw/zinc/83/33/85/787833385.db2.gz YYVJQETZERGSFJ-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001174928835 787832618 /nfs/dbraw/zinc/83/26/18/787832618.db2.gz ZQILTAJJIYJITO-UHFFFAOYSA-N 1 0 331.442 -1.050 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCCC[NH2+]Cc2nnnn2C)n1 ZINC001174934748 787834486 /nfs/dbraw/zinc/83/44/86/787834486.db2.gz AZIHGEIMAMMWDO-UHFFFAOYSA-N 1 0 332.368 -1.126 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001174934759 787834175 /nfs/dbraw/zinc/83/41/75/787834175.db2.gz BAIGMVHERNMPDQ-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001174934768 787834578 /nfs/dbraw/zinc/83/45/78/787834578.db2.gz BAIGMVHERNMPDQ-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001174934770 787835335 /nfs/dbraw/zinc/83/53/35/787835335.db2.gz BAIGMVHERNMPDQ-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001174934771 787834223 /nfs/dbraw/zinc/83/42/23/787834223.db2.gz BAIGMVHERNMPDQ-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001174935048 787833970 /nfs/dbraw/zinc/83/39/70/787833970.db2.gz DKAMXUJKCITRJU-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001174935060 787835138 /nfs/dbraw/zinc/83/51/38/787835138.db2.gz DKAMXUJKCITRJU-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001174935452 787834405 /nfs/dbraw/zinc/83/44/05/787834405.db2.gz IAXCOSVXBJONDY-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001174935755 787835166 /nfs/dbraw/zinc/83/51/66/787835166.db2.gz KQPAONDBFLHXRJ-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001174935918 787835305 /nfs/dbraw/zinc/83/53/05/787835305.db2.gz NZVRGVGISVMCRK-UHFFFAOYSA-N 1 0 347.379 -1.227 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001174935990 787834750 /nfs/dbraw/zinc/83/47/50/787834750.db2.gz QFXBRHXHJFHLQV-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001174935991 787833876 /nfs/dbraw/zinc/83/38/76/787833876.db2.gz QFXBRHXHJFHLQV-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001174936090 787834333 /nfs/dbraw/zinc/83/43/33/787834333.db2.gz UZUVWSDSIFLIQO-GFCCVEGCSA-N 1 0 347.441 -1.769 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001174936091 787834601 /nfs/dbraw/zinc/83/46/01/787834601.db2.gz UZUVWSDSIFLIQO-LBPRGKRZSA-N 1 0 347.441 -1.769 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001174937099 787835375 /nfs/dbraw/zinc/83/53/75/787835375.db2.gz HORMLOBFCZMWKM-SECBINFHSA-N 1 0 338.368 -1.157 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001174937100 787834124 /nfs/dbraw/zinc/83/41/24/787834124.db2.gz HORMLOBFCZMWKM-VIFPVBQESA-N 1 0 338.368 -1.157 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C)C(=O)NC(N)=O ZINC001174942793 787835878 /nfs/dbraw/zinc/83/58/78/787835878.db2.gz HDZSWOXWSMTUNK-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C)C(=O)NC(N)=O ZINC001174942794 787836136 /nfs/dbraw/zinc/83/61/36/787836136.db2.gz HDZSWOXWSMTUNK-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C)C(=O)NC(N)=O ZINC001174942795 787836193 /nfs/dbraw/zinc/83/61/93/787836193.db2.gz HDZSWOXWSMTUNK-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C)C(=O)NC(N)=O ZINC001174942796 787835992 /nfs/dbraw/zinc/83/59/92/787835992.db2.gz HDZSWOXWSMTUNK-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001174942939 787835633 /nfs/dbraw/zinc/83/56/33/787835633.db2.gz JBIFLIJQRRODQL-JTQLQIEISA-N 1 0 347.375 -1.044 20 0 EAADRO CNC(=O)c1cccc(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001174942940 787836735 /nfs/dbraw/zinc/83/67/35/787836735.db2.gz JBIFLIJQRRODQL-SNVBAGLBSA-N 1 0 347.375 -1.044 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174969864 787836626 /nfs/dbraw/zinc/83/66/26/787836626.db2.gz DCUSLZVCFVDPEZ-BDAKNGLRSA-N 1 0 328.373 -1.873 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174969870 787835810 /nfs/dbraw/zinc/83/58/10/787835810.db2.gz DCUSLZVCFVDPEZ-DTWKUNHWSA-N 1 0 328.373 -1.873 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174969871 787836312 /nfs/dbraw/zinc/83/63/12/787836312.db2.gz DCUSLZVCFVDPEZ-IUCAKERBSA-N 1 0 328.373 -1.873 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174969872 787836107 /nfs/dbraw/zinc/83/61/07/787836107.db2.gz DCUSLZVCFVDPEZ-RKDXNWHRSA-N 1 0 328.373 -1.873 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001174972551 787835259 /nfs/dbraw/zinc/83/52/59/787835259.db2.gz VSRXNZLMJJAQFT-NXEZZACHSA-N 1 0 339.400 -1.446 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174972555 787834639 /nfs/dbraw/zinc/83/46/39/787834639.db2.gz VSRXNZLMJJAQFT-UWVGGRQHSA-N 1 0 339.400 -1.446 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001174972557 787833835 /nfs/dbraw/zinc/83/38/35/787833835.db2.gz VSRXNZLMJJAQFT-VHSXEESVSA-N 1 0 339.400 -1.446 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174972558 787834882 /nfs/dbraw/zinc/83/48/82/787834882.db2.gz VSRXNZLMJJAQFT-ZJUUUORDSA-N 1 0 339.400 -1.446 20 0 EAADRO C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174972847 787834615 /nfs/dbraw/zinc/83/46/15/787834615.db2.gz XFCCGTVEIPNWJR-NEPJUHHUSA-N 1 0 340.428 -1.042 20 0 EAADRO C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174972848 787834630 /nfs/dbraw/zinc/83/46/30/787834630.db2.gz XFCCGTVEIPNWJR-NWDGAFQWSA-N 1 0 340.428 -1.042 20 0 EAADRO C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174972849 787834707 /nfs/dbraw/zinc/83/47/07/787834707.db2.gz XFCCGTVEIPNWJR-RYUDHWBXSA-N 1 0 340.428 -1.042 20 0 EAADRO C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174972850 787834793 /nfs/dbraw/zinc/83/47/93/787834793.db2.gz XFCCGTVEIPNWJR-VXGBXAGGSA-N 1 0 340.428 -1.042 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001174973127 787834268 /nfs/dbraw/zinc/83/42/68/787834268.db2.gz ZLVDRETVLRNVDP-NXEZZACHSA-N 1 0 342.400 -1.612 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174973135 787834857 /nfs/dbraw/zinc/83/48/57/787834857.db2.gz ZLVDRETVLRNVDP-UWVGGRQHSA-N 1 0 342.400 -1.612 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001174973136 787834041 /nfs/dbraw/zinc/83/40/41/787834041.db2.gz ZLVDRETVLRNVDP-VHSXEESVSA-N 1 0 342.400 -1.612 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174973137 787834307 /nfs/dbraw/zinc/83/43/07/787834307.db2.gz ZLVDRETVLRNVDP-ZJUUUORDSA-N 1 0 342.400 -1.612 20 0 EAADRO C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174973142 787833980 /nfs/dbraw/zinc/83/39/80/787833980.db2.gz ZODJHVQUQREGEZ-GHMZBOCLSA-N 1 0 334.442 -1.023 20 0 EAADRO C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174973143 787835193 /nfs/dbraw/zinc/83/51/93/787835193.db2.gz ZODJHVQUQREGEZ-MNOVXSKESA-N 1 0 334.442 -1.023 20 0 EAADRO C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174973144 787834551 /nfs/dbraw/zinc/83/45/51/787834551.db2.gz ZODJHVQUQREGEZ-QWRGUYRKSA-N 1 0 334.442 -1.023 20 0 EAADRO C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174973145 787834352 /nfs/dbraw/zinc/83/43/52/787834352.db2.gz ZODJHVQUQREGEZ-WDEREUQCSA-N 1 0 334.442 -1.023 20 0 EAADRO C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174978016 787834187 /nfs/dbraw/zinc/83/41/87/787834187.db2.gz HKYKRXDWAALIGL-GHMZBOCLSA-N 1 0 349.457 -1.518 20 0 EAADRO C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174978017 787834111 /nfs/dbraw/zinc/83/41/11/787834111.db2.gz HKYKRXDWAALIGL-MNOVXSKESA-N 1 0 349.457 -1.518 20 0 EAADRO C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174978018 787834209 /nfs/dbraw/zinc/83/42/09/787834209.db2.gz HKYKRXDWAALIGL-QWRGUYRKSA-N 1 0 349.457 -1.518 20 0 EAADRO C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001174978019 787834163 /nfs/dbraw/zinc/83/41/63/787834163.db2.gz HKYKRXDWAALIGL-WDEREUQCSA-N 1 0 349.457 -1.518 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001174979941 787838252 /nfs/dbraw/zinc/83/82/52/787838252.db2.gz FGLLFUSUMGQZHE-AWEZNQCLSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001174979942 787837452 /nfs/dbraw/zinc/83/74/52/787837452.db2.gz FGLLFUSUMGQZHE-CQSZACIVSA-N 1 0 340.424 -1.144 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001174980257 787837709 /nfs/dbraw/zinc/83/77/09/787837709.db2.gz HGDDVGOPDYPKOK-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001174980258 787838636 /nfs/dbraw/zinc/83/86/36/787838636.db2.gz HGDDVGOPDYPKOK-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001174980479 787837339 /nfs/dbraw/zinc/83/73/39/787837339.db2.gz KSWZZYSVLFSVDW-LLVKDONJSA-N 1 0 340.384 -2.048 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001174980485 787837940 /nfs/dbraw/zinc/83/79/40/787837940.db2.gz KSWZZYSVLFSVDW-NSHDSACASA-N 1 0 340.384 -2.048 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001174980666 787837195 /nfs/dbraw/zinc/83/71/95/787837195.db2.gz OLKRCVOTAKEYBY-AWEZNQCLSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001174980667 787837537 /nfs/dbraw/zinc/83/75/37/787837537.db2.gz OLKRCVOTAKEYBY-CQSZACIVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001174980697 787837761 /nfs/dbraw/zinc/83/77/61/787837761.db2.gz PNXJYZAKCLFBTF-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001174980698 787837179 /nfs/dbraw/zinc/83/71/79/787837179.db2.gz PNXJYZAKCLFBTF-CQSZACIVSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001174980798 787838051 /nfs/dbraw/zinc/83/80/51/787838051.db2.gz URDCUDQVWHZRNV-LLVKDONJSA-N 1 0 325.373 -1.947 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001174980799 787837370 /nfs/dbraw/zinc/83/73/70/787837370.db2.gz URDCUDQVWHZRNV-NSHDSACASA-N 1 0 325.373 -1.947 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001174980904 787838480 /nfs/dbraw/zinc/83/84/80/787838480.db2.gz ZPBGCSWRCOGXSS-CYBMUJFWSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001174980905 787837094 /nfs/dbraw/zinc/83/70/94/787837094.db2.gz ZPBGCSWRCOGXSS-ZDUSSCGKSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001174987201 787837108 /nfs/dbraw/zinc/83/71/08/787837108.db2.gz AGSVOVYYUVJNCZ-CYBMUJFWSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001174987203 787837983 /nfs/dbraw/zinc/83/79/83/787837983.db2.gz AGSVOVYYUVJNCZ-ZDUSSCGKSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001174987263 787838375 /nfs/dbraw/zinc/83/83/75/787838375.db2.gz BCNLVDZHPRKIEJ-AAEUAGOBSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001174987264 787837889 /nfs/dbraw/zinc/83/78/89/787837889.db2.gz BCNLVDZHPRKIEJ-DGCLKSJQSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001174987265 787838469 /nfs/dbraw/zinc/83/84/69/787838469.db2.gz BCNLVDZHPRKIEJ-WCQYABFASA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001174987266 787838387 /nfs/dbraw/zinc/83/83/87/787838387.db2.gz BCNLVDZHPRKIEJ-YPMHNXCESA-N 1 0 328.413 -1.194 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001174987299 787837080 /nfs/dbraw/zinc/83/70/80/787837080.db2.gz BULOZEBJVULRTO-LLVKDONJSA-N 1 0 343.384 -2.215 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001174987303 787838492 /nfs/dbraw/zinc/83/84/92/787838492.db2.gz BULOZEBJVULRTO-NSHDSACASA-N 1 0 343.384 -2.215 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001174987751 787838204 /nfs/dbraw/zinc/83/82/04/787838204.db2.gz DVZNYRVREJOIPK-GXSJLCMTSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001174987754 787838009 /nfs/dbraw/zinc/83/80/09/787838009.db2.gz DVZNYRVREJOIPK-KOLCDFICSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001174987755 787837999 /nfs/dbraw/zinc/83/79/99/787837999.db2.gz DVZNYRVREJOIPK-MWLCHTKSSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001174987756 787837464 /nfs/dbraw/zinc/83/74/64/787837464.db2.gz DVZNYRVREJOIPK-ONGXEEELSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001174987778 787838412 /nfs/dbraw/zinc/83/84/12/787838412.db2.gz FEYLIDGPBNPEQJ-CMPLNLGQSA-N 1 0 339.400 -1.386 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001174987780 787837319 /nfs/dbraw/zinc/83/73/19/787837319.db2.gz FEYLIDGPBNPEQJ-JQWIXIFHSA-N 1 0 339.400 -1.386 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001174987782 787837551 /nfs/dbraw/zinc/83/75/51/787837551.db2.gz FEYLIDGPBNPEQJ-PWSUYJOCSA-N 1 0 339.400 -1.386 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001174987783 787837210 /nfs/dbraw/zinc/83/72/10/787837210.db2.gz FEYLIDGPBNPEQJ-ZYHUDNBSSA-N 1 0 339.400 -1.386 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001174987870 787837789 /nfs/dbraw/zinc/83/77/89/787837789.db2.gz GFXMLXWIOIKQQA-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001174987871 787837490 /nfs/dbraw/zinc/83/74/90/787837490.db2.gz GFXMLXWIOIKQQA-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001174988149 787838399 /nfs/dbraw/zinc/83/83/99/787838399.db2.gz IMWFSXGPYMTRNI-CYBMUJFWSA-N 1 0 349.453 -1.236 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001174988150 787837304 /nfs/dbraw/zinc/83/73/04/787837304.db2.gz IMWFSXGPYMTRNI-ZDUSSCGKSA-N 1 0 349.453 -1.236 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1=O ZINC001174988231 787837525 /nfs/dbraw/zinc/83/75/25/787837525.db2.gz JNLKUOPXPVZDPA-KBPBESRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1=O ZINC001174988232 787838214 /nfs/dbraw/zinc/83/82/14/787838214.db2.gz JNLKUOPXPVZDPA-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CN(C(C)=O)CCO2)C1=O ZINC001174988234 787837441 /nfs/dbraw/zinc/83/74/41/787837441.db2.gz JNLKUOPXPVZDPA-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CN(C(C)=O)CCO2)C1=O ZINC001174988236 787838127 /nfs/dbraw/zinc/83/81/27/787838127.db2.gz JNLKUOPXPVZDPA-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001174988510 787838097 /nfs/dbraw/zinc/83/80/97/787838097.db2.gz KDUOYNIKDMHSGV-CHWSQXEVSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001174988512 787838362 /nfs/dbraw/zinc/83/83/62/787838362.db2.gz KDUOYNIKDMHSGV-OLZOCXBDSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001174988515 787838238 /nfs/dbraw/zinc/83/82/38/787838238.db2.gz KDUOYNIKDMHSGV-QWHCGFSZSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001174988517 787837167 /nfs/dbraw/zinc/83/71/67/787837167.db2.gz KDUOYNIKDMHSGV-STQMWFEESA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001174988726 787838335 /nfs/dbraw/zinc/83/83/35/787838335.db2.gz MJYKUXFNXLXTGI-JTQLQIEISA-N 1 0 329.357 -2.476 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001174988745 787837147 /nfs/dbraw/zinc/83/71/47/787837147.db2.gz MJYKUXFNXLXTGI-SNVBAGLBSA-N 1 0 329.357 -2.476 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001174988828 787837429 /nfs/dbraw/zinc/83/74/29/787837429.db2.gz NGZOJUTZMCGKGV-KBPBESRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001174988829 787837971 /nfs/dbraw/zinc/83/79/71/787837971.db2.gz NGZOJUTZMCGKGV-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001174988830 787837722 /nfs/dbraw/zinc/83/77/22/787837722.db2.gz NGZOJUTZMCGKGV-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001174988832 787838023 /nfs/dbraw/zinc/83/80/23/787838023.db2.gz NGZOJUTZMCGKGV-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001174988872 787836267 /nfs/dbraw/zinc/83/62/67/787836267.db2.gz NVSWKNRFEBUWPC-GFCCVEGCSA-N 1 0 335.426 -1.626 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001174988873 787836233 /nfs/dbraw/zinc/83/62/33/787836233.db2.gz NVSWKNRFEBUWPC-LBPRGKRZSA-N 1 0 335.426 -1.626 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001174988922 787836553 /nfs/dbraw/zinc/83/65/53/787836553.db2.gz PNPWOJQMGDVRSY-AWEZNQCLSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001174988924 787835931 /nfs/dbraw/zinc/83/59/31/787835931.db2.gz PNPWOJQMGDVRSY-CQSZACIVSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001174988979 787835756 /nfs/dbraw/zinc/83/57/56/787835756.db2.gz QGXJVEMLOPVJDD-BXUZGUMPSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001174988982 787836996 /nfs/dbraw/zinc/83/69/96/787836996.db2.gz QGXJVEMLOPVJDD-FZMZJTMJSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001174988983 787836460 /nfs/dbraw/zinc/83/64/60/787836460.db2.gz QGXJVEMLOPVJDD-RISCZKNCSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001174988985 787836581 /nfs/dbraw/zinc/83/65/81/787836581.db2.gz QGXJVEMLOPVJDD-SMDDNHRTSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001174989244 787836605 /nfs/dbraw/zinc/83/66/05/787836605.db2.gz QXYQQHMHNRVLGO-CYBMUJFWSA-N 1 0 341.412 -1.645 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001174989247 787836254 /nfs/dbraw/zinc/83/62/54/787836254.db2.gz QXYQQHMHNRVLGO-ZDUSSCGKSA-N 1 0 341.412 -1.645 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)C)C1 ZINC001174989346 787836640 /nfs/dbraw/zinc/83/66/40/787836640.db2.gz UYCGMIZTSGCDCD-CYBMUJFWSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)C)C1 ZINC001174989347 787836051 /nfs/dbraw/zinc/83/60/51/787836051.db2.gz UYCGMIZTSGCDCD-ZDUSSCGKSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001174989558 787836121 /nfs/dbraw/zinc/83/61/21/787836121.db2.gz WGUGBPDCQCSCJH-CHWSQXEVSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001174989561 787836513 /nfs/dbraw/zinc/83/65/13/787836513.db2.gz WGUGBPDCQCSCJH-OLZOCXBDSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001174989562 787836092 /nfs/dbraw/zinc/83/60/92/787836092.db2.gz WGUGBPDCQCSCJH-QWHCGFSZSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001174989564 787836388 /nfs/dbraw/zinc/83/63/88/787836388.db2.gz WGUGBPDCQCSCJH-STQMWFEESA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCCC2=O)C1 ZINC001174989631 787836445 /nfs/dbraw/zinc/83/64/45/787836445.db2.gz XJHGVSDMRCLMCL-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCCC2=O)C1 ZINC001174989633 787836524 /nfs/dbraw/zinc/83/65/24/787836524.db2.gz XJHGVSDMRCLMCL-CQSZACIVSA-N 1 0 340.424 -1.048 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001174989718 787836942 /nfs/dbraw/zinc/83/69/42/787836942.db2.gz YOFPIJOQPIFTIQ-AWEZNQCLSA-N 1 0 331.413 -1.007 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001174989725 787836688 /nfs/dbraw/zinc/83/66/88/787836688.db2.gz YOFPIJOQPIFTIQ-CQSZACIVSA-N 1 0 331.413 -1.007 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001174989804 787836433 /nfs/dbraw/zinc/83/64/33/787836433.db2.gz ZNUDRIQOHWFAOW-NEPJUHHUSA-N 1 0 340.380 -1.865 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001174989807 787836843 /nfs/dbraw/zinc/83/68/43/787836843.db2.gz ZNUDRIQOHWFAOW-NWDGAFQWSA-N 1 0 340.380 -1.865 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001174989809 787836764 /nfs/dbraw/zinc/83/67/64/787836764.db2.gz ZNUDRIQOHWFAOW-RYUDHWBXSA-N 1 0 340.380 -1.865 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001174989810 787835519 /nfs/dbraw/zinc/83/55/19/787835519.db2.gz ZNUDRIQOHWFAOW-VXGBXAGGSA-N 1 0 340.380 -1.865 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001174996996 787835825 /nfs/dbraw/zinc/83/58/25/787835825.db2.gz LJOPGSBWPOTBRA-JTQLQIEISA-N 1 0 341.412 -1.028 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001174997000 787836009 /nfs/dbraw/zinc/83/60/09/787836009.db2.gz LJOPGSBWPOTBRA-SNVBAGLBSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C(N)=O)CC1 ZINC001174998876 787836805 /nfs/dbraw/zinc/83/68/05/787836805.db2.gz WAPACVAAUXAAQG-SECBINFHSA-N 1 0 327.385 -1.289 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C(N)=O)CC1 ZINC001174998877 787836282 /nfs/dbraw/zinc/83/62/82/787836282.db2.gz WAPACVAAUXAAQG-VIFPVBQESA-N 1 0 327.385 -1.289 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175006688 787836664 /nfs/dbraw/zinc/83/66/64/787836664.db2.gz ODXWDXVARULNRD-NXEZZACHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175006689 787835700 /nfs/dbraw/zinc/83/57/00/787835700.db2.gz ODXWDXVARULNRD-UWVGGRQHSA-N 1 0 329.401 -1.030 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175006690 787835943 /nfs/dbraw/zinc/83/59/43/787835943.db2.gz ODXWDXVARULNRD-VHSXEESVSA-N 1 0 329.401 -1.030 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175006691 787835501 /nfs/dbraw/zinc/83/55/01/787835501.db2.gz ODXWDXVARULNRD-ZJUUUORDSA-N 1 0 329.401 -1.030 20 0 EAADRO Cn1cncc1CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001175011643 787835673 /nfs/dbraw/zinc/83/56/73/787835673.db2.gz KAKFQQCSDJDNFE-UHFFFAOYSA-N 1 0 331.442 -1.002 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C(N)=O ZINC001175012649 787835742 /nfs/dbraw/zinc/83/57/42/787835742.db2.gz DMNIWUIKFBKCLV-SECBINFHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C(N)=O ZINC001175012651 787835850 /nfs/dbraw/zinc/83/58/50/787835850.db2.gz DMNIWUIKFBKCLV-VIFPVBQESA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H](CCCC[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C(N)=O ZINC001175012842 787835647 /nfs/dbraw/zinc/83/56/47/787835647.db2.gz FJMLHJJSZYTLSL-NEPJUHHUSA-N 1 0 328.413 -1.280 20 0 EAADRO C[C@@H](CCCC[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C(N)=O ZINC001175012844 787835592 /nfs/dbraw/zinc/83/55/92/787835592.db2.gz FJMLHJJSZYTLSL-RYUDHWBXSA-N 1 0 328.413 -1.280 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175015332 787836654 /nfs/dbraw/zinc/83/66/54/787836654.db2.gz UEMBVLMDQFXMNI-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175015333 787835768 /nfs/dbraw/zinc/83/57/68/787835768.db2.gz UEMBVLMDQFXMNI-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)C(N)=O ZINC001175015377 787835729 /nfs/dbraw/zinc/83/57/29/787835729.db2.gz UKGVMEGQYHSTNM-JTQLQIEISA-N 1 0 327.385 -2.305 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)C(N)=O ZINC001175015378 787835579 /nfs/dbraw/zinc/83/55/79/787835579.db2.gz UKGVMEGQYHSTNM-SNVBAGLBSA-N 1 0 327.385 -2.305 20 0 EAADRO C[C@H](CCCC[NH2+]CCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001175015849 787836797 /nfs/dbraw/zinc/83/67/97/787836797.db2.gz XEDBRCFRYSZICU-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO C[C@@H](CCCC[NH2+]CCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001175015850 787836022 /nfs/dbraw/zinc/83/60/22/787836022.db2.gz XEDBRCFRYSZICU-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC2CC2)c(=O)n1C ZINC001175017893 787836854 /nfs/dbraw/zinc/83/68/54/787836854.db2.gz AGVSQKPYUFZFTL-JTQLQIEISA-N 1 0 338.412 -1.347 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC2CC2)c(=O)n1C ZINC001175017894 787836751 /nfs/dbraw/zinc/83/67/51/787836751.db2.gz AGVSQKPYUFZFTL-SNVBAGLBSA-N 1 0 338.412 -1.347 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175017917 787836377 /nfs/dbraw/zinc/83/63/77/787836377.db2.gz BJKKNOZREQYFHE-LLVKDONJSA-N 1 0 340.428 -1.099 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175017918 787835907 /nfs/dbraw/zinc/83/59/07/787835907.db2.gz BJKKNOZREQYFHE-NSHDSACASA-N 1 0 340.428 -1.099 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175017921 787836594 /nfs/dbraw/zinc/83/65/94/787836594.db2.gz BRFIHTDAURJVSY-UHFFFAOYSA-N 1 0 326.401 -1.488 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCc2cnn(C)c2)c(=O)n1C ZINC001175017930 787835717 /nfs/dbraw/zinc/83/57/17/787835717.db2.gz BZFQNRYJDNAIFJ-UHFFFAOYSA-N 1 0 335.412 -1.038 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]Cc2nnnn2C2CC2)c(=O)n1C ZINC001175017940 787836345 /nfs/dbraw/zinc/83/63/45/787836345.db2.gz COAQTASTPUVCEJ-UHFFFAOYSA-N 1 0 349.399 -1.492 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175017941 787836207 /nfs/dbraw/zinc/83/62/07/787836207.db2.gz COXPJHPCDNXULN-LLVKDONJSA-N 1 0 340.428 -1.099 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175017942 787836721 /nfs/dbraw/zinc/83/67/21/787836721.db2.gz COXPJHPCDNXULN-NSHDSACASA-N 1 0 340.428 -1.099 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)NC(C)C)c(=O)n1C ZINC001175017952 787836497 /nfs/dbraw/zinc/83/64/97/787836497.db2.gz DEYYKAQRWFOYAT-UHFFFAOYSA-N 1 0 326.401 -1.489 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)c(=O)n1C ZINC001175017960 787836180 /nfs/dbraw/zinc/83/61/80/787836180.db2.gz DOWZDODWTMIARC-UHFFFAOYSA-N 1 0 338.412 -1.393 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)c(=O)n1C ZINC001175017965 787836955 /nfs/dbraw/zinc/83/69/55/787836955.db2.gz DWPPJDDACHQWMC-UHFFFAOYSA-N 1 0 340.428 -1.099 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018091 787836297 /nfs/dbraw/zinc/83/62/97/787836297.db2.gz FSNMXCBSNBKJCK-UHFFFAOYSA-N 1 0 340.428 -1.145 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)N(C)C(C)C)c(=O)n1C ZINC001175018101 787836401 /nfs/dbraw/zinc/83/64/01/787836401.db2.gz GFZYYZICLQKWPX-UHFFFAOYSA-N 1 0 340.428 -1.147 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)c(=O)n1C ZINC001175018104 787835460 /nfs/dbraw/zinc/83/54/60/787835460.db2.gz GHTOEUYTZWJDHM-MRVPVSSYSA-N 1 0 341.372 -2.430 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)c(=O)n1C ZINC001175018105 787835562 /nfs/dbraw/zinc/83/55/62/787835562.db2.gz GHTOEUYTZWJDHM-QMMMGPOBSA-N 1 0 341.372 -2.430 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)NCC(C)C)c(=O)n1C ZINC001175018106 787836566 /nfs/dbraw/zinc/83/65/66/787836566.db2.gz GHZFCNUDIWEMJZ-UHFFFAOYSA-N 1 0 340.428 -1.242 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018114 787836158 /nfs/dbraw/zinc/83/61/58/787836158.db2.gz GQLJRJAOOVSYLR-UHFFFAOYSA-N 1 0 336.400 -1.202 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCN2CCNC2=O)c(=O)n1C ZINC001175018118 787836221 /nfs/dbraw/zinc/83/62/21/787836221.db2.gz GTWGUQWOMVIUMC-UHFFFAOYSA-N 1 0 339.400 -1.989 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)c(=O)n1C ZINC001175018131 787836031 /nfs/dbraw/zinc/83/60/31/787836031.db2.gz HLCWCGCGMHWHFK-UHFFFAOYSA-N 1 0 338.372 -2.392 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018165 787836472 /nfs/dbraw/zinc/83/64/72/787836472.db2.gz IKGYQGLIDJCDSQ-UHFFFAOYSA-N 1 0 336.400 -1.202 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]Cc2ccn(C)c(=O)c2)c(=O)n1C ZINC001175018190 787836710 /nfs/dbraw/zinc/83/67/10/787836710.db2.gz ISVVHTUKYHUQKL-UHFFFAOYSA-N 1 0 348.407 -1.115 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018217 787835659 /nfs/dbraw/zinc/83/56/59/787835659.db2.gz IWTAXJFDSGMOTD-UHFFFAOYSA-N 1 0 341.372 -2.558 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]C[C@H]2CCc3ncnn32)c(=O)n1C ZINC001175018239 787836243 /nfs/dbraw/zinc/83/62/43/787836243.db2.gz IXYLXNZXEIMKOL-GFCCVEGCSA-N 1 0 348.411 -1.235 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]C[C@@H]2CCc3ncnn32)c(=O)n1C ZINC001175018250 787835893 /nfs/dbraw/zinc/83/58/93/787835893.db2.gz IXYLXNZXEIMKOL-LBPRGKRZSA-N 1 0 348.411 -1.235 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)c(=O)n1C ZINC001175018268 787836676 /nfs/dbraw/zinc/83/66/76/787836676.db2.gz JDCIBHBXDWGNHR-JTQLQIEISA-N 1 0 326.401 -1.537 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)c(=O)n1C ZINC001175018273 787835953 /nfs/dbraw/zinc/83/59/53/787835953.db2.gz JDCIBHBXDWGNHR-SNVBAGLBSA-N 1 0 326.401 -1.537 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018393 787836700 /nfs/dbraw/zinc/83/67/00/787836700.db2.gz KIPIQYPSUIBNDB-UHFFFAOYSA-N 1 0 329.401 -1.351 20 0 EAADRO COc1ccc(C[NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)nn1 ZINC001175018429 787838610 /nfs/dbraw/zinc/83/86/10/787838610.db2.gz MCNKBHSSHWZKCX-UHFFFAOYSA-N 1 0 349.395 -1.015 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)nn1 ZINC001175018455 787838509 /nfs/dbraw/zinc/83/85/09/787838509.db2.gz NPRBDJPXSVLLKP-UHFFFAOYSA-N 1 0 336.400 -1.202 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018470 787837773 /nfs/dbraw/zinc/83/77/73/787837773.db2.gz OPGITQITCHYMEK-UHFFFAOYSA-N 1 0 340.428 -1.098 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCNC(=O)C2CC2)c(=O)n1C ZINC001175018476 787837915 /nfs/dbraw/zinc/83/79/15/787837915.db2.gz OVYBDJAMEDAOCB-UHFFFAOYSA-N 1 0 338.412 -1.488 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018801 787838596 /nfs/dbraw/zinc/83/85/96/787838596.db2.gz QNUIYSJXNUUXMQ-UHFFFAOYSA-N 1 0 326.401 -1.536 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)c(=O)n1C ZINC001175018819 787838158 /nfs/dbraw/zinc/83/81/58/787838158.db2.gz RMQIDXNVMHPMNX-JTQLQIEISA-N 1 0 338.368 -2.209 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)c(=O)n1C ZINC001175018820 787838455 /nfs/dbraw/zinc/83/84/55/787838455.db2.gz RMQIDXNVMHPMNX-SNVBAGLBSA-N 1 0 338.368 -2.209 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001175018835 787837659 /nfs/dbraw/zinc/83/76/59/787837659.db2.gz SHQCTGOFERIHSQ-UHFFFAOYSA-N 1 0 336.400 -1.202 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)c(=O)n1C ZINC001175018850 787838140 /nfs/dbraw/zinc/83/81/40/787838140.db2.gz TURINCWRAJISMY-UHFFFAOYSA-N 1 0 348.429 -2.465 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)c(=O)n1C ZINC001175018852 787838225 /nfs/dbraw/zinc/83/82/25/787838225.db2.gz TVLOSCDGLXSCSU-UHFFFAOYSA-N 1 0 327.345 -2.819 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@@H](C)c2nncn2C)c(=O)n1C ZINC001175019165 787837683 /nfs/dbraw/zinc/83/76/83/787837683.db2.gz UMAMLDJXLUGSIG-JTQLQIEISA-N 1 0 336.400 -1.124 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@H](C)c2nncn2C)c(=O)n1C ZINC001175019166 787838183 /nfs/dbraw/zinc/83/81/83/787838183.db2.gz UMAMLDJXLUGSIG-SNVBAGLBSA-N 1 0 336.400 -1.124 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)N2CCCC2)c(=O)n1C ZINC001175019173 787838432 /nfs/dbraw/zinc/83/84/32/787838432.db2.gz USPUGXSFFXESNZ-UHFFFAOYSA-N 1 0 338.412 -1.391 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)c(=O)n1C ZINC001175019174 787837252 /nfs/dbraw/zinc/83/72/52/787837252.db2.gz UTSMNUGIRXSMNF-GFCCVEGCSA-N 1 0 338.412 -1.393 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)c(=O)n1C ZINC001175019175 787838172 /nfs/dbraw/zinc/83/81/72/787838172.db2.gz UTSMNUGIRXSMNF-LBPRGKRZSA-N 1 0 338.412 -1.393 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@H](C)c2nnnn2C)c(=O)n1C ZINC001175019183 787837862 /nfs/dbraw/zinc/83/78/62/787837862.db2.gz VLGUDVJNOLLWKQ-SECBINFHSA-N 1 0 337.388 -1.729 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)c(=O)n1C ZINC001175019184 787837826 /nfs/dbraw/zinc/83/78/26/787837826.db2.gz VLGUDVJNOLLWKQ-VIFPVBQESA-N 1 0 337.388 -1.729 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCCS(C)(=O)=O)c(=O)n1C ZINC001175019190 787837598 /nfs/dbraw/zinc/83/75/98/787837598.db2.gz VRAIABBFXYNFNW-UHFFFAOYSA-N 1 0 347.441 -1.579 20 0 EAADRO COc1nccc(C[NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001175019195 787838281 /nfs/dbraw/zinc/83/82/81/787838281.db2.gz VVMGSYUUKCIWQP-UHFFFAOYSA-N 1 0 349.395 -1.015 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)C1=O ZINC001175019199 787838659 /nfs/dbraw/zinc/83/86/59/787838659.db2.gz WDBBNVFIOTXIQX-GFCCVEGCSA-N 1 0 338.412 -1.393 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)C1=O ZINC001175019200 787838305 /nfs/dbraw/zinc/83/83/05/787838305.db2.gz WDBBNVFIOTXIQX-LBPRGKRZSA-N 1 0 338.412 -1.393 20 0 EAADRO COc1cncc(C[NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001175019215 787837122 /nfs/dbraw/zinc/83/71/22/787837122.db2.gz WSMAHJDEKKZHTN-UHFFFAOYSA-N 1 0 349.395 -1.015 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCN2CCCC2=O)c(=O)n1C ZINC001175019218 787837804 /nfs/dbraw/zinc/83/78/04/787837804.db2.gz XCDACGDRAXJWSM-UHFFFAOYSA-N 1 0 338.412 -1.391 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCc2ccnn2C)c(=O)n1C ZINC001175019229 787837501 /nfs/dbraw/zinc/83/75/01/787837501.db2.gz XUFLBCWQXIGDIT-UHFFFAOYSA-N 1 0 335.412 -1.038 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CC(=O)NCC2CC2)c(=O)n1C ZINC001175019234 787837624 /nfs/dbraw/zinc/83/76/24/787837624.db2.gz YFPNNPIOXDSUFL-UHFFFAOYSA-N 1 0 338.412 -1.488 20 0 EAADRO Cc1nn(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)c(=O)n1C ZINC001175019266 787837235 /nfs/dbraw/zinc/83/72/35/787837235.db2.gz ZUOOUGRNNRXVMH-UHFFFAOYSA-N 1 0 333.414 -1.969 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)C(N)=O ZINC001175022610 787837815 /nfs/dbraw/zinc/83/78/15/787837815.db2.gz FQVGVYNWMFZKST-NEPJUHHUSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)C(N)=O ZINC001175022611 787838546 /nfs/dbraw/zinc/83/85/46/787838546.db2.gz FQVGVYNWMFZKST-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)C(N)=O ZINC001175022612 787838318 /nfs/dbraw/zinc/83/83/18/787838318.db2.gz FQVGVYNWMFZKST-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)C(N)=O ZINC001175022613 787837612 /nfs/dbraw/zinc/83/76/12/787837612.db2.gz FQVGVYNWMFZKST-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)C(N)=O ZINC001175031112 787839136 /nfs/dbraw/zinc/83/91/36/787839136.db2.gz ATSBSMXRCQIROV-JTQLQIEISA-N 1 0 339.396 -1.666 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)C(N)=O ZINC001175031113 787839124 /nfs/dbraw/zinc/83/91/24/787839124.db2.gz ATSBSMXRCQIROV-SNVBAGLBSA-N 1 0 339.396 -1.666 20 0 EAADRO C[C@H](CCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)C(N)=O ZINC001175031146 787840266 /nfs/dbraw/zinc/84/02/66/787840266.db2.gz BJEWEIRMFSTIJR-GHMZBOCLSA-N 1 0 342.396 -1.754 20 0 EAADRO C[C@H](CCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)C(N)=O ZINC001175031147 787838937 /nfs/dbraw/zinc/83/89/37/787838937.db2.gz BJEWEIRMFSTIJR-MNOVXSKESA-N 1 0 342.396 -1.754 20 0 EAADRO C[C@@H](CCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)C(N)=O ZINC001175031148 787838875 /nfs/dbraw/zinc/83/88/75/787838875.db2.gz BJEWEIRMFSTIJR-QWRGUYRKSA-N 1 0 342.396 -1.754 20 0 EAADRO C[C@@H](CCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)C(N)=O ZINC001175031149 787839661 /nfs/dbraw/zinc/83/96/61/787839661.db2.gz BJEWEIRMFSTIJR-WDEREUQCSA-N 1 0 342.396 -1.754 20 0 EAADRO C[C@@H](CCCC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)C(N)=O ZINC001175033767 787839963 /nfs/dbraw/zinc/83/99/63/787839963.db2.gz RXNGCYYHOJDJDZ-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@H](CCCC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)C(N)=O ZINC001175033768 787838923 /nfs/dbraw/zinc/83/89/23/787838923.db2.gz RXNGCYYHOJDJDZ-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O)n1 ZINC001175034049 787839347 /nfs/dbraw/zinc/83/93/47/787839347.db2.gz XLUQUPVEPBEGOK-SECBINFHSA-N 1 0 340.384 -1.392 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]CCCC[C@H](C)NC(=O)C(N)=O)n1 ZINC001175034050 787840361 /nfs/dbraw/zinc/84/03/61/787840361.db2.gz XLUQUPVEPBEGOK-VIFPVBQESA-N 1 0 340.384 -1.392 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)C(N)=O ZINC001175034199 787840082 /nfs/dbraw/zinc/84/00/82/787840082.db2.gz ZYMRJOLZPJNLGL-NEPJUHHUSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)C(N)=O ZINC001175034200 787839727 /nfs/dbraw/zinc/83/97/27/787839727.db2.gz ZYMRJOLZPJNLGL-NWDGAFQWSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)C(N)=O ZINC001175034201 787840382 /nfs/dbraw/zinc/84/03/82/787840382.db2.gz ZYMRJOLZPJNLGL-RYUDHWBXSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)C(N)=O ZINC001175034202 787838950 /nfs/dbraw/zinc/83/89/50/787838950.db2.gz ZYMRJOLZPJNLGL-VXGBXAGGSA-N 1 0 328.413 -1.111 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)NC(=O)C(N)=O ZINC001175041242 787840470 /nfs/dbraw/zinc/84/04/70/787840470.db2.gz NOZFOSJTZNXNJW-GHMZBOCLSA-N 1 0 343.428 -1.671 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)NC(=O)C(N)=O ZINC001175041243 787840314 /nfs/dbraw/zinc/84/03/14/787840314.db2.gz NOZFOSJTZNXNJW-MNOVXSKESA-N 1 0 343.428 -1.671 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)NC(=O)C(N)=O ZINC001175041244 787839295 /nfs/dbraw/zinc/83/92/95/787839295.db2.gz NOZFOSJTZNXNJW-QWRGUYRKSA-N 1 0 343.428 -1.671 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C(N)=O)C(=O)N(C)C ZINC001175041245 787840328 /nfs/dbraw/zinc/84/03/28/787840328.db2.gz NOZFOSJTZNXNJW-WDEREUQCSA-N 1 0 343.428 -1.671 20 0 EAADRO CN1CCCn2nc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2C1 ZINC001175104302 787839512 /nfs/dbraw/zinc/83/95/12/787839512.db2.gz FMAOMAOMKIFXNZ-UHFFFAOYSA-N 1 0 340.388 -1.003 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)c1ccc(=O)[nH]c1)N1CCNC(=O)C1 ZINC001175156236 787839826 /nfs/dbraw/zinc/83/98/26/787839826.db2.gz FPJNZYCAIWZNNH-UHFFFAOYSA-N 1 0 335.364 -1.545 20 0 EAADRO C[C@H](CCCC[NH2+]CCO)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001175207759 787839504 /nfs/dbraw/zinc/83/95/04/787839504.db2.gz BKGDGZMMSPMZEY-SECBINFHSA-N 1 0 333.414 -1.072 20 0 EAADRO C[C@@H](CCCC[NH2+]CCO)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001175207768 787838886 /nfs/dbraw/zinc/83/88/86/787838886.db2.gz BKGDGZMMSPMZEY-VIFPVBQESA-N 1 0 333.414 -1.072 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001175209386 787839387 /nfs/dbraw/zinc/83/93/87/787839387.db2.gz JFLFESJYIOKKMY-MRVPVSSYSA-N 1 0 346.413 -1.579 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001175209387 787839803 /nfs/dbraw/zinc/83/98/03/787839803.db2.gz JFLFESJYIOKKMY-QMMMGPOBSA-N 1 0 346.413 -1.579 20 0 EAADRO Cc1cc(C)n2nc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)nc2n1 ZINC001175231215 787839481 /nfs/dbraw/zinc/83/94/81/787839481.db2.gz JDYYSRIEKHPUAE-UHFFFAOYSA-N 1 0 348.367 -1.354 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@]1(C)CCNC1=O ZINC001175237780 787840119 /nfs/dbraw/zinc/84/01/19/787840119.db2.gz SHPNTYIBOXXIAM-BMIGLBTASA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@]1(C)CCNC1=O ZINC001175237782 787839681 /nfs/dbraw/zinc/83/96/81/787839681.db2.gz SHPNTYIBOXXIAM-BONVTDFDSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@]1(C)CCNC1=O ZINC001175237784 787838765 /nfs/dbraw/zinc/83/87/65/787838765.db2.gz SHPNTYIBOXXIAM-MEBBXXQBSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@]1(C)CCNC1=O ZINC001175237785 787839754 /nfs/dbraw/zinc/83/97/54/787839754.db2.gz SHPNTYIBOXXIAM-ZUZCIYMTSA-N 1 0 341.412 -1.028 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1nc2nccc(C)n2n1 ZINC001175238830 787840434 /nfs/dbraw/zinc/84/04/34/787840434.db2.gz BJLHSVCJLAMGJD-UHFFFAOYSA-N 1 0 348.367 -1.402 20 0 EAADRO Cc1ccnc2nc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)nn21 ZINC001175238846 787839911 /nfs/dbraw/zinc/83/99/11/787839911.db2.gz BRUMBWCIHOZPBW-UHFFFAOYSA-N 1 0 334.340 -1.663 20 0 EAADRO Cc1ccnc2nc(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)nn21 ZINC001175238893 787838752 /nfs/dbraw/zinc/83/87/52/787838752.db2.gz CZYAHLNJEBOHRU-SECBINFHSA-N 1 0 348.367 -1.274 20 0 EAADRO Cc1ccnc2nc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)nn21 ZINC001175238895 787839075 /nfs/dbraw/zinc/83/90/75/787839075.db2.gz CZYAHLNJEBOHRU-VIFPVBQESA-N 1 0 348.367 -1.274 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)C1CCCCC1 ZINC001175238938 787839862 /nfs/dbraw/zinc/83/98/62/787839862.db2.gz FNOIMBVCTKTYKS-UHFFFAOYSA-N 1 0 341.412 -1.026 20 0 EAADRO Cc1ccnc2nc(C(=O)NCCC[NH2+]Cc3nc(=O)n(C)[nH]3)nn21 ZINC001175239186 787839611 /nfs/dbraw/zinc/83/96/11/787839611.db2.gz INVJLFYKBJPZKE-UHFFFAOYSA-N 1 0 345.367 -1.236 20 0 EAADRO Cc1ccnc2nc(C(=O)NCCC[NH2+][C@H]3CCC(=O)NC3=O)nn21 ZINC001175239695 787840422 /nfs/dbraw/zinc/84/04/22/787840422.db2.gz OWXUHKBRXOZXGN-JTQLQIEISA-N 1 0 345.363 -1.053 20 0 EAADRO Cc1ccnc2nc(C(=O)NCCC[NH2+][C@@H]3CCC(=O)NC3=O)nn21 ZINC001175239699 787839739 /nfs/dbraw/zinc/83/97/39/787839739.db2.gz OWXUHKBRXOZXGN-SNVBAGLBSA-N 1 0 345.363 -1.053 20 0 EAADRO Cc1ccnc2nc(C(=O)NCCC[NH2+]Cc3nnnn3C)nn21 ZINC001175240023 787840233 /nfs/dbraw/zinc/84/02/33/787840233.db2.gz YWXLHVMWPHGRMX-UHFFFAOYSA-N 1 0 330.356 -1.134 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1cccs1 ZINC001175247132 787840200 /nfs/dbraw/zinc/84/02/00/787840200.db2.gz UCHCWROMNRSGNJ-UHFFFAOYSA-N 1 0 341.393 -1.231 20 0 EAADRO O=C(CNC(=O)c1ccco1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001175253306 787839922 /nfs/dbraw/zinc/83/99/22/787839922.db2.gz CDUIMGWTFLGDQR-JTQLQIEISA-N 1 0 336.348 -1.090 20 0 EAADRO O=C(CNC(=O)c1ccco1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001175253307 787839451 /nfs/dbraw/zinc/83/94/51/787839451.db2.gz CDUIMGWTFLGDQR-SNVBAGLBSA-N 1 0 336.348 -1.090 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)CNC(=O)c2ccco2)nc1=O ZINC001175254014 787838906 /nfs/dbraw/zinc/83/89/06/787838906.db2.gz 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C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001176135036 787855763 /nfs/dbraw/zinc/85/57/63/787855763.db2.gz BMPRRYSFHRTEGX-JTQLQIEISA-N 1 0 327.385 -1.370 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001176135037 787854862 /nfs/dbraw/zinc/85/48/62/787854862.db2.gz BMPRRYSFHRTEGX-SNVBAGLBSA-N 1 0 327.385 -1.370 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001176135852 787855083 /nfs/dbraw/zinc/85/50/83/787855083.db2.gz PZSLGVONJFOXBM-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001176135853 787854851 /nfs/dbraw/zinc/85/48/51/787854851.db2.gz PZSLGVONJFOXBM-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001176145839 787855106 /nfs/dbraw/zinc/85/51/06/787855106.db2.gz ZNJSXKMOZMHJCM-SECBINFHSA-N 1 0 335.368 -1.219 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001176145843 787856070 /nfs/dbraw/zinc/85/60/70/787856070.db2.gz ZNJSXKMOZMHJCM-VIFPVBQESA-N 1 0 335.368 -1.219 20 0 EAADRO Cc1nccn1CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001176146987 787855035 /nfs/dbraw/zinc/85/50/35/787855035.db2.gz FRHZHAZUYGMPMC-UHFFFAOYSA-N 1 0 348.407 -1.115 20 0 EAADRO CN(CC[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1)S(C)(=O)=O ZINC001176152497 787855932 /nfs/dbraw/zinc/85/59/32/787855932.db2.gz CDGPRTQDWNJOOM-UHFFFAOYSA-N 1 0 345.425 -1.286 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176152585 787855510 /nfs/dbraw/zinc/85/55/10/787855510.db2.gz DZJNXOZXFQUNOL-UHFFFAOYSA-N 1 0 339.396 -1.024 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176152866 787855404 /nfs/dbraw/zinc/85/54/04/787855404.db2.gz NEAVPCZKGRIAGK-UHFFFAOYSA-N 1 0 339.396 -1.024 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176153157 787856294 /nfs/dbraw/zinc/85/62/94/787856294.db2.gz QAGZGHVFMADJFI-UHFFFAOYSA-N 1 0 339.396 -1.024 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176153178 787855025 /nfs/dbraw/zinc/85/50/25/787855025.db2.gz QSNFMWXXKYLAMW-UHFFFAOYSA-N 1 0 338.368 -1.331 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176153391 787855125 /nfs/dbraw/zinc/85/51/25/787855125.db2.gz SJNCQYVZNXNSJA-GFCCVEGCSA-N 1 0 342.396 -1.153 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176153392 787856860 /nfs/dbraw/zinc/85/68/60/787856860.db2.gz SJNCQYVZNXNSJA-LBPRGKRZSA-N 1 0 342.396 -1.153 20 0 EAADRO NC(=O)c1cc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)c[nH]1 ZINC001176153836 787857365 /nfs/dbraw/zinc/85/73/65/787857365.db2.gz ZIJGZRQYGUBKCV-UHFFFAOYSA-N 1 0 337.380 -1.318 20 0 EAADRO Cc1ccc(CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001176169054 787854724 /nfs/dbraw/zinc/85/47/24/787854724.db2.gz JVNZQCAOVVGLIA-UHFFFAOYSA-N 1 0 347.419 -1.013 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCNCc1nnn(C)n1 ZINC001176170945 787855941 /nfs/dbraw/zinc/85/59/41/787855941.db2.gz ZMCNICNFCBVQLI-GFCCVEGCSA-N 1 0 325.417 -1.226 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCNCc1nnn(C)n1 ZINC001176170947 787854824 /nfs/dbraw/zinc/85/48/24/787854824.db2.gz ZMCNICNFCBVQLI-LBPRGKRZSA-N 1 0 325.417 -1.226 20 0 EAADRO NC(=O)c1cc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)c[nH]1 ZINC001176177486 787854633 /nfs/dbraw/zinc/85/46/33/787854633.db2.gz QQLGLGRHJWHSRQ-UHFFFAOYSA-N 1 0 336.352 -1.625 20 0 EAADRO NC(=O)c1cc(C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)c[nH]1 ZINC001176186191 787856360 /nfs/dbraw/zinc/85/63/60/787856360.db2.gz GWMZYSWGCQZJHZ-UHFFFAOYSA-N 1 0 335.364 -1.028 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176186436 787855250 /nfs/dbraw/zinc/85/52/50/787855250.db2.gz KHJVISTUIQHTNU-UHFFFAOYSA-N 1 0 345.425 -1.238 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176186513 787855056 /nfs/dbraw/zinc/85/50/56/787855056.db2.gz NNHXMFYPUJGITB-UHFFFAOYSA-N 1 0 331.398 -1.628 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176187034 787854665 /nfs/dbraw/zinc/85/46/65/787854665.db2.gz ZXBZBGJKKPHCLS-MRVPVSSYSA-N 1 0 338.368 -1.333 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176187035 787856325 /nfs/dbraw/zinc/85/63/25/787856325.db2.gz ZXBZBGJKKPHCLS-QMMMGPOBSA-N 1 0 338.368 -1.333 20 0 EAADRO CCc1ncncc1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176233930 787856940 /nfs/dbraw/zinc/85/69/40/787856940.db2.gz XFFUQOQKRQDIBS-UHFFFAOYSA-N 1 0 348.407 -1.293 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001176236408 787856697 /nfs/dbraw/zinc/85/66/97/787856697.db2.gz DTPSQCCSRSWXAG-UWVGGRQHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001176236413 787857111 /nfs/dbraw/zinc/85/71/11/787857111.db2.gz DTPSQCCSRSWXAG-ZJUUUORDSA-N 1 0 327.385 -1.276 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001176237239 787856760 /nfs/dbraw/zinc/85/67/60/787856760.db2.gz KUUMTFFMGNIAQY-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001176237241 787857742 /nfs/dbraw/zinc/85/77/42/787857742.db2.gz KUUMTFFMGNIAQY-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO O=C(C[C@H]1CCCOC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176249223 787860589 /nfs/dbraw/zinc/86/05/89/787860589.db2.gz XQXKLFBIZXKSRO-CYBMUJFWSA-N 1 0 340.424 -1.143 20 0 EAADRO O=C(C[C@@H]1CCCOC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176249224 787860797 /nfs/dbraw/zinc/86/07/97/787860797.db2.gz XQXKLFBIZXKSRO-ZDUSSCGKSA-N 1 0 340.424 -1.143 20 0 EAADRO NC(=O)c1cncc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)c1 ZINC001176271185 787860038 /nfs/dbraw/zinc/86/00/38/787860038.db2.gz NMXICHOIPRLQBM-UHFFFAOYSA-N 1 0 349.391 -1.251 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cncc(C(N)=O)c2)nc1=O ZINC001176271460 787860746 /nfs/dbraw/zinc/86/07/46/787860746.db2.gz QKBHUJQYUJJDTB-UHFFFAOYSA-N 1 0 333.352 -1.488 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)c1cncc(C(N)=O)c1 ZINC001176271489 787860534 /nfs/dbraw/zinc/86/05/34/787860534.db2.gz ROWMHLOUOCZPIB-UHFFFAOYSA-N 1 0 328.394 -1.065 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cncc(C(N)=O)c1 ZINC001176271925 787861003 /nfs/dbraw/zinc/86/10/03/787861003.db2.gz YVKBITDHYCEBCI-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cncc(C(N)=O)c1)C(=O)NC(N)=O ZINC001176276399 787857775 /nfs/dbraw/zinc/85/77/75/787857775.db2.gz ACAKFCVNRQIGHU-MRVPVSSYSA-N 1 0 336.352 -1.527 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cncc(C(N)=O)c1)C(=O)NC(N)=O ZINC001176276404 787856867 /nfs/dbraw/zinc/85/68/67/787856867.db2.gz ACAKFCVNRQIGHU-QMMMGPOBSA-N 1 0 336.352 -1.527 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)nc1=O ZINC001176276747 787857091 /nfs/dbraw/zinc/85/70/91/787857091.db2.gz DRHWUMBTXMLBBE-MRVPVSSYSA-N 1 0 332.386 -2.604 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)nc1=O ZINC001176276750 787857397 /nfs/dbraw/zinc/85/73/97/787857397.db2.gz DRHWUMBTXMLBBE-QMMMGPOBSA-N 1 0 332.386 -2.604 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cncc(C(N)=O)c1 ZINC001176276998 787857082 /nfs/dbraw/zinc/85/70/82/787857082.db2.gz HAPXAKLBIKFIIM-UHFFFAOYSA-N 1 0 343.409 -1.561 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)N1CCCCC1 ZINC001176277053 787856848 /nfs/dbraw/zinc/85/68/48/787856848.db2.gz HQLPONIHGJJNLS-GFCCVEGCSA-N 1 0 346.453 -1.214 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)N1CCCCC1 ZINC001176277055 787857144 /nfs/dbraw/zinc/85/71/44/787857144.db2.gz HQLPONIHGJJNLS-LBPRGKRZSA-N 1 0 346.453 -1.214 20 0 EAADRO Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)cc1=O ZINC001176277074 787857203 /nfs/dbraw/zinc/85/72/03/787857203.db2.gz HZEKPJTVJIGEDN-GFCCVEGCSA-N 1 0 342.421 -1.327 20 0 EAADRO Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1=O ZINC001176277083 787857781 /nfs/dbraw/zinc/85/77/81/787857781.db2.gz HZEKPJTVJIGEDN-LBPRGKRZSA-N 1 0 342.421 -1.327 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)N1CCCC1 ZINC001176277616 787857214 /nfs/dbraw/zinc/85/72/14/787857214.db2.gz KCBIZZMZXLSDRK-LLVKDONJSA-N 1 0 332.426 -1.604 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)N1CCCC1 ZINC001176277617 787857189 /nfs/dbraw/zinc/85/71/89/787857189.db2.gz KCBIZZMZXLSDRK-NSHDSACASA-N 1 0 332.426 -1.604 20 0 EAADRO CCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176277649 787857802 /nfs/dbraw/zinc/85/78/02/787857802.db2.gz LNRZGPMMOPITAL-LLVKDONJSA-N 1 0 344.441 -1.106 20 0 EAADRO CCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176277650 787856990 /nfs/dbraw/zinc/85/69/90/787856990.db2.gz LNRZGPMMOPITAL-NSHDSACASA-N 1 0 344.441 -1.106 20 0 EAADRO CC(C)n1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176277654 787857697 /nfs/dbraw/zinc/85/76/97/787857697.db2.gz LRHBRFRYHPIPOA-JTQLQIEISA-N 1 0 345.429 -1.458 20 0 EAADRO CC(C)n1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176277655 787857022 /nfs/dbraw/zinc/85/70/22/787857022.db2.gz LRHBRFRYHPIPOA-SNVBAGLBSA-N 1 0 345.429 -1.458 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001176278195 787856565 /nfs/dbraw/zinc/85/65/65/787856565.db2.gz NGDFPHRZEPYCNW-LLVKDONJSA-N 1 0 332.426 -1.605 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001176278196 787857153 /nfs/dbraw/zinc/85/71/53/787857153.db2.gz NGDFPHRZEPYCNW-NSHDSACASA-N 1 0 332.426 -1.605 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176278197 787857421 /nfs/dbraw/zinc/85/74/21/787857421.db2.gz NJQHOBMFOTZGNF-JTQLQIEISA-N 1 0 334.442 -1.311 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176278198 787856578 /nfs/dbraw/zinc/85/65/78/787856578.db2.gz NJQHOBMFOTZGNF-SNVBAGLBSA-N 1 0 334.442 -1.311 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)NCC1CCC1 ZINC001176278199 787856803 /nfs/dbraw/zinc/85/68/03/787856803.db2.gz NNIUFCVGJCIBDN-GFCCVEGCSA-N 1 0 346.453 -1.310 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC1CCC1 ZINC001176278200 787857921 /nfs/dbraw/zinc/85/79/21/787857921.db2.gz NNIUFCVGJCIBDN-LBPRGKRZSA-N 1 0 346.453 -1.310 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1C ZINC001176278260 787857571 /nfs/dbraw/zinc/85/75/71/787857571.db2.gz QFZBAFWTXPSPDD-JTQLQIEISA-N 1 0 344.441 -1.335 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)n1C ZINC001176278261 787856711 /nfs/dbraw/zinc/85/67/11/787856711.db2.gz QFZBAFWTXPSPDD-SNVBAGLBSA-N 1 0 344.441 -1.335 20 0 EAADRO NC(=O)c1cncc(C(=O)NCCC[NH2+]CCN2CCNC2=O)c1 ZINC001176278659 787856885 /nfs/dbraw/zinc/85/68/85/787856885.db2.gz RKHOSEHOAFVMSO-UHFFFAOYSA-N 1 0 334.380 -1.085 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)NCC1CC1 ZINC001176278686 787857908 /nfs/dbraw/zinc/85/79/08/787857908.db2.gz RPWJNHWNPMYWDY-LLVKDONJSA-N 1 0 332.426 -1.700 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC1CC1 ZINC001176278693 787857793 /nfs/dbraw/zinc/85/77/93/787857793.db2.gz RPWJNHWNPMYWDY-NSHDSACASA-N 1 0 332.426 -1.700 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176278882 787857608 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CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1=O ZINC001176287355 787857341 /nfs/dbraw/zinc/85/73/41/787857341.db2.gz BPLPWKWRANBALJ-QWRGUYRKSA-N 1 0 332.426 -1.605 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1=O ZINC001176287356 787857378 /nfs/dbraw/zinc/85/73/78/787857378.db2.gz BPLPWKWRANBALJ-WDEREUQCSA-N 1 0 332.426 -1.605 20 0 EAADRO CCn1nc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001176287375 787856922 /nfs/dbraw/zinc/85/69/22/787856922.db2.gz BRFSIDWDTACHNJ-LLVKDONJSA-N 1 0 344.441 -1.106 20 0 EAADRO CCn1nc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001176287377 787857125 /nfs/dbraw/zinc/85/71/25/787857125.db2.gz BRFSIDWDTACHNJ-NSHDSACASA-N 1 0 344.441 -1.106 20 0 EAADRO Cc1nnc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 ZINC001176287378 787857549 /nfs/dbraw/zinc/85/75/49/787857549.db2.gz BTDVMNQLUVKQTI-PSASIEDQSA-N 1 0 330.414 -1.038 20 0 EAADRO Cc1nnc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 ZINC001176287384 787857859 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787857455 /nfs/dbraw/zinc/85/74/55/787857455.db2.gz CXPZDBZRUDCHDD-GHMZBOCLSA-N 1 0 342.425 -1.447 20 0 EAADRO O=C(NCCC[NH2+]C[C@H]1CCc2ncnn21)[C@@H]1CCS(=O)(=O)N1 ZINC001176287843 787857969 /nfs/dbraw/zinc/85/79/69/787857969.db2.gz CXPZDBZRUDCHDD-MNOVXSKESA-N 1 0 342.425 -1.447 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H]1CCc2ncnn21)[C@@H]1CCS(=O)(=O)N1 ZINC001176287844 787856588 /nfs/dbraw/zinc/85/65/88/787856588.db2.gz CXPZDBZRUDCHDD-QWRGUYRKSA-N 1 0 342.425 -1.447 20 0 EAADRO O=C(NCCC[NH2+]C[C@@H]1CCc2ncnn21)[C@H]1CCS(=O)(=O)N1 ZINC001176287845 787857516 /nfs/dbraw/zinc/85/75/16/787857516.db2.gz CXPZDBZRUDCHDD-WDEREUQCSA-N 1 0 342.425 -1.447 20 0 EAADRO O=C(NCCC[NH2+]CCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001176287917 787857325 /nfs/dbraw/zinc/85/73/25/787857325.db2.gz DIDNOBQGUSWIFE-CHWSQXEVSA-N 1 0 349.453 -1.030 20 0 EAADRO O=C(NCCC[NH2+]CCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001176287930 787857623 /nfs/dbraw/zinc/85/76/23/787857623.db2.gz DIDNOBQGUSWIFE-OLZOCXBDSA-N 1 0 349.453 -1.030 20 0 EAADRO O=C(NCCC[NH2+]CCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001176287932 787857353 /nfs/dbraw/zinc/85/73/53/787857353.db2.gz DIDNOBQGUSWIFE-QWHCGFSZSA-N 1 0 349.453 -1.030 20 0 EAADRO O=C(NCCC[NH2+]CCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001176287933 787857814 /nfs/dbraw/zinc/85/78/14/787857814.db2.gz DIDNOBQGUSWIFE-STQMWFEESA-N 1 0 349.453 -1.030 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176287964 787856528 /nfs/dbraw/zinc/85/65/28/787856528.db2.gz DQDQFEYZBRQQFF-SECBINFHSA-N 1 0 327.428 -2.181 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176287966 787857949 /nfs/dbraw/zinc/85/79/49/787857949.db2.gz DQDQFEYZBRQQFF-VIFPVBQESA-N 1 0 327.428 -2.181 20 0 EAADRO O=C(NCCC[NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CCS(=O)(=O)N1 ZINC001176288017 787856953 /nfs/dbraw/zinc/85/69/53/787856953.db2.gz FQELLAQKMXULET-JTQLQIEISA-N 1 0 342.425 -1.030 20 0 EAADRO O=C(NCCC[NH2+]Cc1nnc(C2CC2)[nH]1)[C@H]1CCS(=O)(=O)N1 ZINC001176288023 787856824 /nfs/dbraw/zinc/85/68/24/787856824.db2.gz FQELLAQKMXULET-SNVBAGLBSA-N 1 0 342.425 -1.030 20 0 EAADRO O=C(NCCC[NH2+]CCCN1CCCC1=O)[C@H]1CCS(=O)(=O)N1 ZINC001176288283 787857465 /nfs/dbraw/zinc/85/74/65/787857465.db2.gz FSMXZPCFZJFFJS-GFCCVEGCSA-N 1 0 346.453 -1.214 20 0 EAADRO O=C(NCCC[NH2+]CCCN1CCCC1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176288284 787857596 /nfs/dbraw/zinc/85/75/96/787857596.db2.gz FSMXZPCFZJFFJS-LBPRGKRZSA-N 1 0 346.453 -1.214 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176288289 787857686 /nfs/dbraw/zinc/85/76/86/787857686.db2.gz FVGDSPUNUBRBDJ-NEPJUHHUSA-N 1 0 348.469 -1.065 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176288290 787856746 /nfs/dbraw/zinc/85/67/46/787856746.db2.gz FVGDSPUNUBRBDJ-NWDGAFQWSA-N 1 0 348.469 -1.065 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176288291 787858347 /nfs/dbraw/zinc/85/83/47/787858347.db2.gz FVGDSPUNUBRBDJ-RYUDHWBXSA-N 1 0 348.469 -1.065 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176288292 787858502 /nfs/dbraw/zinc/85/85/02/787858502.db2.gz FVGDSPUNUBRBDJ-VXGBXAGGSA-N 1 0 348.469 -1.065 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001176288305 787858894 /nfs/dbraw/zinc/85/88/94/787858894.db2.gz GOXNADFXBVBYAN-GFCCVEGCSA-N 1 0 346.453 -1.215 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001176288312 787859428 /nfs/dbraw/zinc/85/94/28/787859428.db2.gz GOXNADFXBVBYAN-LBPRGKRZSA-N 1 0 346.453 -1.215 20 0 EAADRO O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001176288382 787859397 /nfs/dbraw/zinc/85/93/97/787859397.db2.gz HLQWWJVUMBRJIJ-JTQLQIEISA-N 1 0 343.413 -1.704 20 0 EAADRO O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001176288390 787859237 /nfs/dbraw/zinc/85/92/37/787859237.db2.gz HLQWWJVUMBRJIJ-SNVBAGLBSA-N 1 0 343.413 -1.704 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176288391 787858550 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EAADRO O=C(NCCC[NH2+]Cc1ncnn1CCF)[C@@H]1CCS(=O)(=O)N1 ZINC001176288687 787859454 /nfs/dbraw/zinc/85/94/54/787859454.db2.gz IPSSCQIFFGSHKT-JTQLQIEISA-N 1 0 348.404 -1.465 20 0 EAADRO O=C(NCCC[NH2+]Cc1ncnn1CCF)[C@H]1CCS(=O)(=O)N1 ZINC001176288688 787858124 /nfs/dbraw/zinc/85/81/24/787858124.db2.gz IPSSCQIFFGSHKT-SNVBAGLBSA-N 1 0 348.404 -1.465 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176288716 787858792 /nfs/dbraw/zinc/85/87/92/787858792.db2.gz JOCGKLJABSIWPC-GHMZBOCLSA-N 1 0 334.442 -1.311 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176288717 787859148 /nfs/dbraw/zinc/85/91/48/787859148.db2.gz JOCGKLJABSIWPC-MNOVXSKESA-N 1 0 334.442 -1.311 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176288718 787859210 /nfs/dbraw/zinc/85/92/10/787859210.db2.gz JOCGKLJABSIWPC-QWRGUYRKSA-N 1 0 334.442 -1.311 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176288719 787858803 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O=C(C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)NC1CCCC1 ZINC001176288752 787858381 /nfs/dbraw/zinc/85/83/81/787858381.db2.gz KYUMAAREMZNQOM-LBPRGKRZSA-N 1 0 346.453 -1.167 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001176289164 787858160 /nfs/dbraw/zinc/85/81/60/787858160.db2.gz MVOIWUGUSZSELJ-NXEZZACHSA-N 1 0 330.414 -1.336 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001176289165 787858878 /nfs/dbraw/zinc/85/88/78/787858878.db2.gz MVOIWUGUSZSELJ-UWVGGRQHSA-N 1 0 330.414 -1.336 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001176289166 787858637 /nfs/dbraw/zinc/85/86/37/787858637.db2.gz MVOIWUGUSZSELJ-VHSXEESVSA-N 1 0 330.414 -1.336 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001176289167 787858534 /nfs/dbraw/zinc/85/85/34/787858534.db2.gz MVOIWUGUSZSELJ-ZJUUUORDSA-N 1 0 330.414 -1.336 20 0 EAADRO COc1cncc(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001176289169 787859042 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CC(C)(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176289207 787859124 /nfs/dbraw/zinc/85/91/24/787859124.db2.gz OCPPJGIKQZDXCA-LLVKDONJSA-N 1 0 348.469 -1.064 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176289208 787859339 /nfs/dbraw/zinc/85/93/39/787859339.db2.gz OCPPJGIKQZDXCA-NSHDSACASA-N 1 0 348.469 -1.064 20 0 EAADRO COc1nccc(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001176289230 787858047 /nfs/dbraw/zinc/85/80/47/787858047.db2.gz OZXSCYTUTJKQDN-LLVKDONJSA-N 1 0 343.409 -1.227 20 0 EAADRO COc1nccc(C[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001176289231 787858521 /nfs/dbraw/zinc/85/85/21/787858521.db2.gz OZXSCYTUTJKQDN-NSHDSACASA-N 1 0 343.409 -1.227 20 0 EAADRO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)C1=O ZINC001176289232 787858355 /nfs/dbraw/zinc/85/83/55/787858355.db2.gz PAHYUGFQGJFUPB-NEPJUHHUSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1=O ZINC001176289344 787859216 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Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001176289363 787858621 /nfs/dbraw/zinc/85/86/21/787858621.db2.gz PGIOGWPLCMVLEK-LBPRGKRZSA-N 1 0 344.441 -1.317 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176289378 787859188 /nfs/dbraw/zinc/85/91/88/787859188.db2.gz PRZRULIVZOEIGE-JTQLQIEISA-N 1 0 341.455 -1.791 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176289380 787858144 /nfs/dbraw/zinc/85/81/44/787858144.db2.gz PRZRULIVZOEIGE-SNVBAGLBSA-N 1 0 341.455 -1.791 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176289385 787858481 /nfs/dbraw/zinc/85/84/81/787858481.db2.gz PTUDZLKGRPWDAZ-LLVKDONJSA-N 1 0 349.457 -1.518 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176289392 787858695 /nfs/dbraw/zinc/85/86/95/787858695.db2.gz PTUDZLKGRPWDAZ-NSHDSACASA-N 1 0 349.457 -1.518 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176289400 787859102 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ZINC001176342522 787861970 /nfs/dbraw/zinc/86/19/70/787861970.db2.gz MHUJPRXZPRUJIP-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001176342544 787861428 /nfs/dbraw/zinc/86/14/28/787861428.db2.gz MOMOIFISXLMFSL-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCCO[C@H]1CCOC1 ZINC001176342564 787862156 /nfs/dbraw/zinc/86/21/56/787862156.db2.gz MOMOIFISXLMFSL-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001176342628 787862678 /nfs/dbraw/zinc/86/26/78/787862678.db2.gz NCMHRYNJTLWJFS-UHFFFAOYSA-N 1 0 349.413 -2.427 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCN1CCCC1=O)C(=O)NC(N)=O ZINC001176342995 787862773 /nfs/dbraw/zinc/86/27/73/787862773.db2.gz OLBCQFKONROPRA-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCN1CCCC1=O)C(=O)NC(N)=O ZINC001176342996 787862844 /nfs/dbraw/zinc/86/28/44/787862844.db2.gz OLBCQFKONROPRA-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1cncc(OC)n1 ZINC001176343011 787862098 /nfs/dbraw/zinc/86/20/98/787862098.db2.gz OUTQKVRFLCCOIG-UHFFFAOYSA-N 1 0 331.398 -1.370 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCNC(=O)NC(C)C ZINC001176343046 787861337 /nfs/dbraw/zinc/86/13/37/787861337.db2.gz PJICYUXDLISWJY-UHFFFAOYSA-N 1 0 337.446 -1.661 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1nc(C2CC2)nn1C ZINC001176343103 787862214 /nfs/dbraw/zinc/86/22/14/787862214.db2.gz QWMFDUGQLBLMCJ-UHFFFAOYSA-N 1 0 344.441 -1.162 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176343105 787862282 /nfs/dbraw/zinc/86/22/82/787862282.db2.gz QWWGHEQSIBMKKH-UHFFFAOYSA-N 1 0 335.386 -2.817 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C ZINC001176343197 787862462 /nfs/dbraw/zinc/86/24/62/787862462.db2.gz SYYPYZCXORWUDQ-UHFFFAOYSA-N 1 0 336.458 -1.206 20 0 EAADRO CCn1nc(C)c(C[NH2+]CCCNC(=O)CS(=O)(=O)NC)n1 ZINC001176343322 787862855 /nfs/dbraw/zinc/86/28/55/787862855.db2.gz VXAKCEOKWBTIIV-UHFFFAOYSA-N 1 0 332.430 -1.248 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCN1CCCC1=O ZINC001176343521 787861611 /nfs/dbraw/zinc/86/16/11/787861611.db2.gz XHYZZTACIVDYFZ-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001176343581 787861711 /nfs/dbraw/zinc/86/17/11/787861711.db2.gz ZXBXPHKNWTUVHD-GFCCVEGCSA-N 1 0 346.453 -1.215 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001176343582 787862146 /nfs/dbraw/zinc/86/21/46/787862146.db2.gz ZXBXPHKNWTUVHD-LBPRGKRZSA-N 1 0 346.453 -1.215 20 0 EAADRO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176348982 787862763 /nfs/dbraw/zinc/86/27/63/787862763.db2.gz BPPRDFRUYGMZGE-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176348983 787861348 /nfs/dbraw/zinc/86/13/48/787861348.db2.gz BPPRDFRUYGMZGE-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176348999 787861467 /nfs/dbraw/zinc/86/14/67/787861467.db2.gz CAYLCDWVVZWYKV-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176349003 787862574 /nfs/dbraw/zinc/86/25/74/787862574.db2.gz CIDLPLIDJSUGIM-UHFFFAOYSA-N 1 0 347.445 -1.476 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001176349023 787862076 /nfs/dbraw/zinc/86/20/76/787862076.db2.gz DJPFBXDZSOLXFY-UHFFFAOYSA-N 1 0 333.370 -1.742 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176349028 787860156 /nfs/dbraw/zinc/86/01/56/787860156.db2.gz DOKSOKRKKPGSKG-JTQLQIEISA-N 1 0 334.442 -1.311 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176349029 787860643 /nfs/dbraw/zinc/86/06/43/787860643.db2.gz DOKSOKRKKPGSKG-SNVBAGLBSA-N 1 0 334.442 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001176349269 787861855 /nfs/dbraw/zinc/86/18/55/787861855.db2.gz GGKQPUBEPASMKP-UHFFFAOYSA-N 1 0 334.442 -1.356 20 0 EAADRO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349320 787861456 /nfs/dbraw/zinc/86/14/56/787861456.db2.gz IKBYDGDHEURGJS-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176349336 787861983 /nfs/dbraw/zinc/86/19/83/787861983.db2.gz JBTIJSBTUWYANM-SECBINFHSA-N 1 0 336.414 -1.511 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176349337 787862454 /nfs/dbraw/zinc/86/24/54/787862454.db2.gz JBTIJSBTUWYANM-VIFPVBQESA-N 1 0 336.414 -1.511 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001176349343 787862004 /nfs/dbraw/zinc/86/20/04/787862004.db2.gz JNCOSQGRGFKUBS-LLVKDONJSA-N 1 0 333.414 -2.111 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001176349344 787862731 /nfs/dbraw/zinc/86/27/31/787862731.db2.gz JNCOSQGRGFKUBS-NSHDSACASA-N 1 0 333.414 -2.111 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001176349607 787864018 /nfs/dbraw/zinc/86/40/18/787864018.db2.gz LUKKOKHYKQJYEE-LLVKDONJSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001176349608 787864445 /nfs/dbraw/zinc/86/44/45/787864445.db2.gz LUKKOKHYKQJYEE-NSHDSACASA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1cc(=O)c(OC)co1 ZINC001176349611 787864180 /nfs/dbraw/zinc/86/41/80/787864180.db2.gz LYPCKQFHPFCDEV-UHFFFAOYSA-N 1 0 347.393 -1.207 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001176349631 787863900 /nfs/dbraw/zinc/86/39/00/787863900.db2.gz MNSPYPZJEUOZKG-JTQLQIEISA-N 1 0 343.471 -1.688 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001176349632 787862996 /nfs/dbraw/zinc/86/29/96/787862996.db2.gz MNSPYPZJEUOZKG-SNVBAGLBSA-N 1 0 343.471 -1.688 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001176349642 787863369 /nfs/dbraw/zinc/86/33/69/787863369.db2.gz MSIGQEBAEPBVJX-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001176349643 787863964 /nfs/dbraw/zinc/86/39/64/787863964.db2.gz MSIGQEBAEPBVJX-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349646 787863192 /nfs/dbraw/zinc/86/31/92/787863192.db2.gz MUGCZZSFPQNKCS-MRVPVSSYSA-N 1 0 337.402 -2.524 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349647 787863830 /nfs/dbraw/zinc/86/38/30/787863830.db2.gz MUGCZZSFPQNKCS-QMMMGPOBSA-N 1 0 337.402 -2.524 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176349656 787863110 /nfs/dbraw/zinc/86/31/10/787863110.db2.gz MZBKVINZBNBHTO-UHFFFAOYSA-N 1 0 348.425 -1.543 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001176349661 787863586 /nfs/dbraw/zinc/86/35/86/787863586.db2.gz NDLFTUNAHUEJNM-UHFFFAOYSA-N 1 0 334.398 -2.220 20 0 EAADRO CCN(C(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC)C1CC1 ZINC001176349675 787863422 /nfs/dbraw/zinc/86/34/22/787863422.db2.gz NQNUEECYYXIHOX-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176349696 787863300 /nfs/dbraw/zinc/86/33/00/787863300.db2.gz OGIZEGYQZVLLPK-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176349711 787864358 /nfs/dbraw/zinc/86/43/58/787864358.db2.gz OMFVIRLRGKSRGA-UHFFFAOYSA-N 1 0 343.471 -1.545 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]C[C@@H](O)COCC(C)C ZINC001176349780 787864433 /nfs/dbraw/zinc/86/44/33/787864433.db2.gz PPVLZOPMKGNONF-GFCCVEGCSA-N 1 0 339.458 -1.335 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]C[C@H](O)COCC(C)C ZINC001176349783 787864077 /nfs/dbraw/zinc/86/40/77/787864077.db2.gz PPVLZOPMKGNONF-LBPRGKRZSA-N 1 0 339.458 -1.335 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176349818 787864325 /nfs/dbraw/zinc/86/43/25/787864325.db2.gz QJRBKNADOAGQCF-LLVKDONJSA-N 1 0 339.458 -1.193 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176349819 787863347 /nfs/dbraw/zinc/86/33/47/787863347.db2.gz QJRBKNADOAGQCF-NSHDSACASA-N 1 0 339.458 -1.193 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349919 787862992 /nfs/dbraw/zinc/86/29/92/787862992.db2.gz TVDLXZZZCPRPNT-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349920 787863958 /nfs/dbraw/zinc/86/39/58/787863958.db2.gz TVDLXZZZCPRPNT-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349941 787864175 /nfs/dbraw/zinc/86/41/75/787864175.db2.gz UOXUCYQDLAQMHZ-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349942 787863473 /nfs/dbraw/zinc/86/34/73/787863473.db2.gz UOXUCYQDLAQMHZ-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349943 787863150 /nfs/dbraw/zinc/86/31/50/787863150.db2.gz UOXUCYQDLAQMHZ-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176349944 787863498 /nfs/dbraw/zinc/86/34/98/787863498.db2.gz UOXUCYQDLAQMHZ-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001176349947 787864347 /nfs/dbraw/zinc/86/43/47/787864347.db2.gz UTXRUEOEQPJYHQ-JTQLQIEISA-N 1 0 334.442 -1.454 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001176349948 787863657 /nfs/dbraw/zinc/86/36/57/787863657.db2.gz UTXRUEOEQPJYHQ-SNVBAGLBSA-N 1 0 334.442 -1.454 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)NCCC[NH2+]CCOCCO ZINC001176349949 787863358 /nfs/dbraw/zinc/86/33/58/787863358.db2.gz UUAGRUIZECWKQI-UHFFFAOYSA-N 1 0 339.458 -1.191 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001176349953 787863460 /nfs/dbraw/zinc/86/34/60/787863460.db2.gz UZTKIFSXCDEVIP-LLVKDONJSA-N 1 0 336.458 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001176349954 787864286 /nfs/dbraw/zinc/86/42/86/787864286.db2.gz UZTKIFSXCDEVIP-NSHDSACASA-N 1 0 336.458 -1.113 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176350066 787863047 /nfs/dbraw/zinc/86/30/47/787863047.db2.gz VGVTXWITMZZINM-UHFFFAOYSA-N 1 0 336.458 -1.064 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001176350077 787863805 /nfs/dbraw/zinc/86/38/05/787863805.db2.gz VTTNPZBPPKQMOR-LLVKDONJSA-N 1 0 336.458 -1.208 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001176350078 787864411 /nfs/dbraw/zinc/86/44/11/787864411.db2.gz VTTNPZBPPKQMOR-NSHDSACASA-N 1 0 336.458 -1.208 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176350123 787863126 /nfs/dbraw/zinc/86/31/26/787863126.db2.gz YNURGZAFOWIXIV-UHFFFAOYSA-N 1 0 334.442 -1.069 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCOC[C@H]1CCCO1 ZINC001176350124 787863708 /nfs/dbraw/zinc/86/37/08/787863708.db2.gz YPUPWYSGGMPXMY-GFCCVEGCSA-N 1 0 337.442 -1.173 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001176350125 787864459 /nfs/dbraw/zinc/86/44/59/787864459.db2.gz YPUPWYSGGMPXMY-LBPRGKRZSA-N 1 0 337.442 -1.173 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176350131 787863799 /nfs/dbraw/zinc/86/37/99/787863799.db2.gz YWMJZBFYSWSDDK-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176350132 787864053 /nfs/dbraw/zinc/86/40/53/787864053.db2.gz YWMJZBFYSWSDDK-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176357203 787864029 /nfs/dbraw/zinc/86/40/29/787864029.db2.gz DRTKNWJAOYZBCX-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176357204 787864042 /nfs/dbraw/zinc/86/40/42/787864042.db2.gz DRTKNWJAOYZBCX-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001176357429 787862956 /nfs/dbraw/zinc/86/29/56/787862956.db2.gz HFPSHTNMWWHAQC-UHFFFAOYSA-N 1 0 336.414 -1.637 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176357681 787863717 /nfs/dbraw/zinc/86/37/17/787863717.db2.gz LFLYUNAFQSRRNG-JTQLQIEISA-N 1 0 333.410 -1.288 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176357686 787862969 /nfs/dbraw/zinc/86/29/69/787862969.db2.gz LFLYUNAFQSRRNG-SNVBAGLBSA-N 1 0 333.410 -1.288 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176357842 787864419 /nfs/dbraw/zinc/86/44/19/787864419.db2.gz PIMQZCFDDGYYDZ-UHFFFAOYSA-N 1 0 328.456 -1.048 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176357969 787863593 /nfs/dbraw/zinc/86/35/93/787863593.db2.gz SLXSIFYBSVFASY-UHFFFAOYSA-N 1 0 333.414 -1.471 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176358135 787864373 /nfs/dbraw/zinc/86/43/73/787864373.db2.gz YBPCULLVBCPGRT-UHFFFAOYSA-N 1 0 334.442 -1.068 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176358208 787864062 /nfs/dbraw/zinc/86/40/62/787864062.db2.gz ZLEKGSKTRDSJIM-UHFFFAOYSA-N 1 0 349.453 -1.234 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176361451 787864278 /nfs/dbraw/zinc/86/42/78/787864278.db2.gz CBVRYEZMDGTFJW-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176361538 787864396 /nfs/dbraw/zinc/86/43/96/787864396.db2.gz GEDWSQJDNYPFOT-UHFFFAOYSA-N 1 0 348.425 -1.541 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CS(=O)(=O)C(C)C ZINC001176361587 787863819 /nfs/dbraw/zinc/86/38/19/787863819.db2.gz IJXSFXXNSGDYLM-UHFFFAOYSA-N 1 0 336.414 -1.639 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176361629 787864197 /nfs/dbraw/zinc/86/41/97/787864197.db2.gz KIABRDHIFWABAS-UHFFFAOYSA-N 1 0 333.414 -1.473 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176361650 787864266 /nfs/dbraw/zinc/86/42/66/787864266.db2.gz KWUOLDLPSLLOLB-SECBINFHSA-N 1 0 336.414 -1.510 20 0 EAADRO CCCS(=O)(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176361651 787863099 /nfs/dbraw/zinc/86/30/99/787863099.db2.gz KWUOLDLPSLLOLB-VIFPVBQESA-N 1 0 336.414 -1.510 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176361706 787863179 /nfs/dbraw/zinc/86/31/79/787863179.db2.gz NCHBZTSLLDSUMZ-UHFFFAOYSA-N 1 0 349.453 -1.236 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176361797 787863330 /nfs/dbraw/zinc/86/33/30/787863330.db2.gz QNBNBPFVIPVUJE-JTQLQIEISA-N 1 0 333.410 -1.289 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176361798 787863385 /nfs/dbraw/zinc/86/33/85/787863385.db2.gz QNBNBPFVIPVUJE-SNVBAGLBSA-N 1 0 333.410 -1.289 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176361922 787864253 /nfs/dbraw/zinc/86/42/53/787864253.db2.gz XJRLGZFQXITFMS-UHFFFAOYSA-N 1 0 328.456 -1.050 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001176384216 787862598 /nfs/dbraw/zinc/86/25/98/787862598.db2.gz NDIXGMHWVCHURS-LLVKDONJSA-N 1 0 336.458 -1.112 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001176384217 787862439 /nfs/dbraw/zinc/86/24/39/787862439.db2.gz NDIXGMHWVCHURS-NSHDSACASA-N 1 0 336.458 -1.112 20 0 EAADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](Cc1c[nH]cn1)NC(C)=O ZINC001176384482 787862392 /nfs/dbraw/zinc/86/23/92/787862392.db2.gz AWAFCKYEXFAIBQ-GFCCVEGCSA-N 1 0 325.369 -1.193 20 0 EAADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001176384767 787861662 /nfs/dbraw/zinc/86/16/62/787861662.db2.gz FFRUTCJQBCQDPJ-LLVKDONJSA-N 1 0 342.360 -1.879 20 0 EAADRO Cc1nn(CC(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O)c(=O)n1C ZINC001176391484 787861321 /nfs/dbraw/zinc/86/13/21/787861321.db2.gz DYEHMRIPQOXHHV-JTQLQIEISA-N 1 0 326.401 -1.360 20 0 EAADRO Cc1nn(CC(=O)N[C@H](C)CCCC[NH2+]CC(N)=O)c(=O)n1C ZINC001176391486 787861929 /nfs/dbraw/zinc/86/19/29/787861929.db2.gz DYEHMRIPQOXHHV-SNVBAGLBSA-N 1 0 326.401 -1.360 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001176392311 787862043 /nfs/dbraw/zinc/86/20/43/787862043.db2.gz KKKIFHIYQGWWCH-LLVKDONJSA-N 1 0 340.428 -1.099 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001176392312 787861496 /nfs/dbraw/zinc/86/14/96/787861496.db2.gz KKKIFHIYQGWWCH-NSHDSACASA-N 1 0 340.428 -1.099 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O)C1 ZINC001176400601 787865546 /nfs/dbraw/zinc/86/55/46/787865546.db2.gz GRRNDKTWURKQHU-AAEUAGOBSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O)C1 ZINC001176400621 787864610 /nfs/dbraw/zinc/86/46/10/787864610.db2.gz GRRNDKTWURKQHU-DGCLKSJQSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O)C1 ZINC001176400622 787865324 /nfs/dbraw/zinc/86/53/24/787865324.db2.gz GRRNDKTWURKQHU-WCQYABFASA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O)C1 ZINC001176400624 787865579 /nfs/dbraw/zinc/86/55/79/787865579.db2.gz GRRNDKTWURKQHU-YPMHNXCESA-N 1 0 328.413 -1.016 20 0 EAADRO CC(C)(C)CC(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176423282 787865069 /nfs/dbraw/zinc/86/50/69/787865069.db2.gz XHFHIQDTWWJRNW-UHFFFAOYSA-N 1 0 329.401 -1.170 20 0 EAADRO CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176429217 787864299 /nfs/dbraw/zinc/86/42/99/787864299.db2.gz NMPSARLOWIJMDJ-LLVKDONJSA-N 1 0 341.412 -1.076 20 0 EAADRO CC(C)C(=O)N1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176429218 787863135 /nfs/dbraw/zinc/86/31/35/787863135.db2.gz NMPSARLOWIJMDJ-NSHDSACASA-N 1 0 341.412 -1.076 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccsc1 ZINC001176430306 787863942 /nfs/dbraw/zinc/86/39/42/787863942.db2.gz XVYSRILYEGTMEC-UHFFFAOYSA-N 1 0 341.393 -1.231 20 0 EAADRO CN1CC[C@@H]([NH2+]CCCNC(=O)CCNC(=O)c2cnccn2)C1=O ZINC001176443217 787865440 /nfs/dbraw/zinc/86/54/40/787865440.db2.gz GWEDCIIRHWLYHB-GFCCVEGCSA-N 1 0 348.407 -1.077 20 0 EAADRO CN1CC[C@H]([NH2+]CCCNC(=O)CCNC(=O)c2cnccn2)C1=O ZINC001176443218 787865495 /nfs/dbraw/zinc/86/54/95/787865495.db2.gz GWEDCIIRHWLYHB-LBPRGKRZSA-N 1 0 348.407 -1.077 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)CCNC(=O)c1cnccn1 ZINC001176443231 787865714 /nfs/dbraw/zinc/86/57/14/787865714.db2.gz HGLNFKMMZDNNSP-UHFFFAOYSA-N 1 0 347.383 -1.584 20 0 EAADRO CCNC(=O)C[NH2+]CCCNC(=O)CCNC(=O)c1cnccn1 ZINC001176443277 787865335 /nfs/dbraw/zinc/86/53/35/787865335.db2.gz JRCPWHTUKNIPLN-UHFFFAOYSA-N 1 0 336.396 -1.172 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176443397 787864954 /nfs/dbraw/zinc/86/49/54/787864954.db2.gz KLNCBWIFVSMGTJ-UHFFFAOYSA-N 1 0 348.407 -1.075 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCNC(=O)CCNC(=O)c1cnccn1 ZINC001176443661 787864840 /nfs/dbraw/zinc/86/48/40/787864840.db2.gz NYXOBPRWORFYNA-UHFFFAOYSA-N 1 0 336.396 -1.219 20 0 EAADRO COC[C@H](O)C[NH2+]CCCNC(=O)CCNC(=O)c1cnccn1 ZINC001176443696 787865347 /nfs/dbraw/zinc/86/53/47/787865347.db2.gz OVRLWRWIBYRZED-GFCCVEGCSA-N 1 0 339.396 -1.300 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCNC(=O)CCNC(=O)c1cnccn1 ZINC001176443697 787865639 /nfs/dbraw/zinc/86/56/39/787865639.db2.gz OVRLWRWIBYRZED-LBPRGKRZSA-N 1 0 339.396 -1.300 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176444013 787865306 /nfs/dbraw/zinc/86/53/06/787865306.db2.gz QXYYSXVKYPTLOK-LLVKDONJSA-N 1 0 334.380 -1.419 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+][C@H]1CCNC1=O ZINC001176444014 787865706 /nfs/dbraw/zinc/86/57/06/787865706.db2.gz QXYYSXVKYPTLOK-NSHDSACASA-N 1 0 334.380 -1.419 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+]CCOCCO ZINC001176444015 787865738 /nfs/dbraw/zinc/86/57/38/787865738.db2.gz QZDYNROSRSNKEV-UHFFFAOYSA-N 1 0 339.396 -1.299 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176444020 787865040 /nfs/dbraw/zinc/86/50/40/787865040.db2.gz QZUAGIDKDRZJEX-GFCCVEGCSA-N 1 0 348.407 -1.029 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176444021 787865356 /nfs/dbraw/zinc/86/53/56/787865356.db2.gz QZUAGIDKDRZJEX-LBPRGKRZSA-N 1 0 348.407 -1.029 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176444041 787865399 /nfs/dbraw/zinc/86/53/99/787865399.db2.gz RLCSOXIGSGDHBU-UHFFFAOYSA-N 1 0 348.407 -1.029 20 0 EAADRO O=C(CCNC(=O)c1cnccn1)NCCC[NH2+]CCn1cncn1 ZINC001176444418 787865191 /nfs/dbraw/zinc/86/51/91/787865191.db2.gz VOJABTLRENQPRV-UHFFFAOYSA-N 1 0 346.395 -1.016 20 0 EAADRO CC[C@@H]([NH2+]CCCNC(=O)CCNC(=O)c1cnccn1)C(N)=O ZINC001176444426 787865060 /nfs/dbraw/zinc/86/50/60/787865060.db2.gz VUMLNYXICQGTTL-LLVKDONJSA-N 1 0 336.396 -1.044 20 0 EAADRO CC[C@H]([NH2+]CCCNC(=O)CCNC(=O)c1cnccn1)C(N)=O ZINC001176444427 787865485 /nfs/dbraw/zinc/86/54/85/787865485.db2.gz VUMLNYXICQGTTL-NSHDSACASA-N 1 0 336.396 -1.044 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNC(=O)c1cnccn1 ZINC001176444492 787865149 /nfs/dbraw/zinc/86/51/49/787865149.db2.gz YNJMHUPLZBORMU-LLVKDONJSA-N 1 0 336.396 -1.173 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNC(=O)c1cnccn1 ZINC001176444495 787865505 /nfs/dbraw/zinc/86/55/05/787865505.db2.gz YNJMHUPLZBORMU-NSHDSACASA-N 1 0 336.396 -1.173 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)COc1ccc(C(N)=O)cc1 ZINC001176451249 787865833 /nfs/dbraw/zinc/86/58/33/787865833.db2.gz KQICIEJBABKCOG-UHFFFAOYSA-N 1 0 347.379 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cncn1 ZINC001176466942 787864996 /nfs/dbraw/zinc/86/49/96/787864996.db2.gz IGUBGYAXAJIJLF-LLVKDONJSA-N 1 0 339.400 -1.002 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cncn1 ZINC001176466945 787865171 /nfs/dbraw/zinc/86/51/71/787865171.db2.gz IGUBGYAXAJIJLF-NSHDSACASA-N 1 0 339.400 -1.002 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001176468000 787865609 /nfs/dbraw/zinc/86/56/09/787865609.db2.gz PAKPLIOGGJEPIW-JTQLQIEISA-N 1 0 325.373 -1.262 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001176468003 787865637 /nfs/dbraw/zinc/86/56/37/787865637.db2.gz PAKPLIOGGJEPIW-SNVBAGLBSA-N 1 0 325.373 -1.262 20 0 EAADRO COCC[C@@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176469321 787865451 /nfs/dbraw/zinc/86/54/51/787865451.db2.gz CAIOSSGUMSPXOG-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO COCC[C@H](C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176469326 787865428 /nfs/dbraw/zinc/86/54/28/787865428.db2.gz CAIOSSGUMSPXOG-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)N1CCCC1=O ZINC001176476642 787864938 /nfs/dbraw/zinc/86/49/38/787864938.db2.gz FDNFHNUZZVBDOW-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)N1CCCC1=O ZINC001176476647 787865650 /nfs/dbraw/zinc/86/56/50/787865650.db2.gz FDNFHNUZZVBDOW-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001176484964 787865280 /nfs/dbraw/zinc/86/52/80/787865280.db2.gz AOAFQNTUIIZONY-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001176484968 787864757 /nfs/dbraw/zinc/86/47/57/787864757.db2.gz AOAFQNTUIIZONY-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)N1CCCC1=O ZINC001176485135 787864771 /nfs/dbraw/zinc/86/47/71/787864771.db2.gz HAZDCOGUJQWKHZ-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)N1CCCC1=O ZINC001176485137 787864702 /nfs/dbraw/zinc/86/47/02/787864702.db2.gz HAZDCOGUJQWKHZ-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176485353 787864804 /nfs/dbraw/zinc/86/48/04/787864804.db2.gz FFECQGDETVHDKQ-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176485361 787865570 /nfs/dbraw/zinc/86/55/70/787865570.db2.gz FFECQGDETVHDKQ-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001176485411 787865216 /nfs/dbraw/zinc/86/52/16/787865216.db2.gz GIEFCOFHTNUHHS-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001176485412 787865592 /nfs/dbraw/zinc/86/55/92/787865592.db2.gz GIEFCOFHTNUHHS-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001176486313 787864825 /nfs/dbraw/zinc/86/48/25/787864825.db2.gz KWSAQQZEBLLRRM-GHMZBOCLSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001176486314 787865556 /nfs/dbraw/zinc/86/55/56/787865556.db2.gz KWSAQQZEBLLRRM-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001176486315 787865266 /nfs/dbraw/zinc/86/52/66/787865266.db2.gz KWSAQQZEBLLRRM-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001176486316 787865381 /nfs/dbraw/zinc/86/53/81/787865381.db2.gz KWSAQQZEBLLRRM-WDEREUQCSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176486711 787865802 /nfs/dbraw/zinc/86/58/02/787865802.db2.gz MZDSMIBRQIKSBH-GHMZBOCLSA-N 1 0 341.412 -1.063 20 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787865516 /nfs/dbraw/zinc/86/55/16/787865516.db2.gz NKIAEYWTCNGQDL-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001176486954 787864815 /nfs/dbraw/zinc/86/48/15/787864815.db2.gz NKIAEYWTCNGQDL-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN1C(=O)CNC1=O ZINC001176487486 787865773 /nfs/dbraw/zinc/86/57/73/787865773.db2.gz RZFPIBWPVABKRU-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)CN1C(=O)CNC1=O ZINC001176487489 787865296 /nfs/dbraw/zinc/86/52/96/787865296.db2.gz RZFPIBWPVABKRU-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)CN1C(=O)CNC1=O ZINC001176487491 787864926 /nfs/dbraw/zinc/86/49/26/787864926.db2.gz RZFPIBWPVABKRU-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN1C(=O)CNC1=O ZINC001176487493 787864685 /nfs/dbraw/zinc/86/46/85/787864685.db2.gz RZFPIBWPVABKRU-WDEREUQCSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001176487694 787864788 /nfs/dbraw/zinc/86/47/88/787864788.db2.gz VBURFVXHIONYAW-NXEZZACHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001176487695 787864987 /nfs/dbraw/zinc/86/49/87/787864987.db2.gz VBURFVXHIONYAW-UWVGGRQHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001176487696 787865680 /nfs/dbraw/zinc/86/56/80/787865680.db2.gz VBURFVXHIONYAW-VHSXEESVSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001176487697 787865291 /nfs/dbraw/zinc/86/52/91/787865291.db2.gz VBURFVXHIONYAW-ZJUUUORDSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1C(=O)CN(C)C1=O ZINC001176487894 787865662 /nfs/dbraw/zinc/86/56/62/787865662.db2.gz XKHNEJOHOZDONM-JTQLQIEISA-N 1 0 327.385 -1.370 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CN1C(=O)CN(C)C1=O ZINC001176487895 787864918 /nfs/dbraw/zinc/86/49/18/787864918.db2.gz XKHNEJOHOZDONM-SNVBAGLBSA-N 1 0 327.385 -1.370 20 0 EAADRO C[C@H](CCCC[NH2+]CCOCCO)NC(=O)CN1C(=O)CNC1=O ZINC001176487910 787865784 /nfs/dbraw/zinc/86/57/84/787865784.db2.gz XVZMGTGAPGDQBD-GFCCVEGCSA-N 1 0 344.412 -1.188 20 0 EAADRO C[C@@H](CCCC[NH2+]CCOCCO)NC(=O)CN1C(=O)CNC1=O ZINC001176487911 787865225 /nfs/dbraw/zinc/86/52/25/787865225.db2.gz XVZMGTGAPGDQBD-LBPRGKRZSA-N 1 0 344.412 -1.188 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176487939 787864554 /nfs/dbraw/zinc/86/45/54/787864554.db2.gz YFKYQTPPEUPQFO-NEPJUHHUSA-N 1 0 344.412 -1.190 20 0 EAADRO COC[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176487941 787864749 /nfs/dbraw/zinc/86/47/49/787864749.db2.gz YFKYQTPPEUPQFO-NWDGAFQWSA-N 1 0 344.412 -1.190 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176487942 787865623 /nfs/dbraw/zinc/86/56/23/787865623.db2.gz YFKYQTPPEUPQFO-RYUDHWBXSA-N 1 0 344.412 -1.190 20 0 EAADRO COC[C@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176487943 787865813 /nfs/dbraw/zinc/86/58/13/787865813.db2.gz YFKYQTPPEUPQFO-VXGBXAGGSA-N 1 0 344.412 -1.190 20 0 EAADRO CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176488315 787865388 /nfs/dbraw/zinc/86/53/88/787865388.db2.gz ZXBGVSIGBQBPMX-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176488316 787865026 /nfs/dbraw/zinc/86/50/26/787865026.db2.gz ZXBGVSIGBQBPMX-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CCNC(N)=O ZINC001176495308 787864645 /nfs/dbraw/zinc/86/46/45/787864645.db2.gz IVISOFNUOCJVSY-NXEZZACHSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CCNC(N)=O ZINC001176495310 787864850 /nfs/dbraw/zinc/86/48/50/787864850.db2.gz IVISOFNUOCJVSY-UWVGGRQHSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CCNC(N)=O)C(=O)NC(N)=O ZINC001176495311 787865796 /nfs/dbraw/zinc/86/57/96/787865796.db2.gz IVISOFNUOCJVSY-VHSXEESVSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CCNC(N)=O ZINC001176495313 787864621 /nfs/dbraw/zinc/86/46/21/787864621.db2.gz IVISOFNUOCJVSY-ZJUUUORDSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCNC(N)=O ZINC001176495694 787864893 /nfs/dbraw/zinc/86/48/93/787864893.db2.gz LBCIKMCBUZQRBZ-JTQLQIEISA-N 1 0 341.416 -1.069 20 0 EAADRO C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCNC(N)=O ZINC001176495695 787864856 /nfs/dbraw/zinc/86/48/56/787864856.db2.gz LBCIKMCBUZQRBZ-SNVBAGLBSA-N 1 0 341.416 -1.069 20 0 EAADRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CCNC(N)=O ZINC001176495749 787864634 /nfs/dbraw/zinc/86/46/34/787864634.db2.gz LYAUXVAKULQQNZ-SECBINFHSA-N 1 0 330.389 -1.496 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CCNC(N)=O ZINC001176495751 787864781 /nfs/dbraw/zinc/86/47/81/787864781.db2.gz LYAUXVAKULQQNZ-VIFPVBQESA-N 1 0 330.389 -1.496 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CCNC(N)=O ZINC001176496372 787865161 /nfs/dbraw/zinc/86/51/61/787865161.db2.gz RVFTWNPPBJXYPB-JTQLQIEISA-N 1 0 344.416 -1.235 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CCNC(N)=O ZINC001176496375 787865824 /nfs/dbraw/zinc/86/58/24/787865824.db2.gz RVFTWNPPBJXYPB-SNVBAGLBSA-N 1 0 344.416 -1.235 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001176505736 787865750 /nfs/dbraw/zinc/86/57/50/787865750.db2.gz TUWGTBVMIAKWML-GFCCVEGCSA-N 1 0 349.453 -1.173 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001176505737 787865241 /nfs/dbraw/zinc/86/52/41/787865241.db2.gz TUWGTBVMIAKWML-LBPRGKRZSA-N 1 0 349.453 -1.173 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001176519586 787864878 /nfs/dbraw/zinc/86/48/78/787864878.db2.gz DAHZIITWKUIBKB-BXUZGUMPSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001176519594 787866212 /nfs/dbraw/zinc/86/62/12/787866212.db2.gz DAHZIITWKUIBKB-FZMZJTMJSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001176519596 787867154 /nfs/dbraw/zinc/86/71/54/787867154.db2.gz DAHZIITWKUIBKB-RISCZKNCSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001176519597 787866655 /nfs/dbraw/zinc/86/66/55/787866655.db2.gz DAHZIITWKUIBKB-SMDDNHRTSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001176520021 787865934 /nfs/dbraw/zinc/86/59/34/787865934.db2.gz JAOGNSMJHRDNMF-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001176520609 787865981 /nfs/dbraw/zinc/86/59/81/787865981.db2.gz JAOGNSMJHRDNMF-CQSZACIVSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001176520706 787866665 /nfs/dbraw/zinc/86/66/65/787866665.db2.gz KJJHLYUEFKOSQL-AWEZNQCLSA-N 1 0 340.424 -1.050 20 0 EAADRO 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C[C@@H](CCCC[NH2+]CCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001176575381 787868009 /nfs/dbraw/zinc/86/80/09/787868009.db2.gz ZXAGMIBCBYJSQL-ZDUSSCGKSA-N 1 0 335.470 -1.026 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001176584117 787866466 /nfs/dbraw/zinc/86/64/66/787866466.db2.gz AIUAOQKVWWGHDJ-GFCCVEGCSA-N 1 0 349.453 -1.188 20 0 EAADRO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001176584118 787866386 /nfs/dbraw/zinc/86/63/86/787866386.db2.gz AIUAOQKVWWGHDJ-LBPRGKRZSA-N 1 0 349.453 -1.188 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O)N1CCOCC1 ZINC001176584554 787866491 /nfs/dbraw/zinc/86/64/91/787866491.db2.gz DOAXPPQFEXXUHX-GFCCVEGCSA-N 1 0 347.437 -1.482 20 0 EAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCCS1(=O)=O)N1CCOCC1 ZINC001176584555 787867024 /nfs/dbraw/zinc/86/70/24/787867024.db2.gz DOAXPPQFEXXUHX-LBPRGKRZSA-N 1 0 347.437 -1.482 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001176585227 787867185 /nfs/dbraw/zinc/86/71/85/787867185.db2.gz 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EAADRO O=C(NCCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCCS1(=O)=O ZINC001176592810 787868072 /nfs/dbraw/zinc/86/80/72/787868072.db2.gz DGWVXTNEMVRMEZ-NSHDSACASA-N 1 0 345.421 -1.192 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001176592844 787868001 /nfs/dbraw/zinc/86/80/01/787868001.db2.gz FNZDMGKPWCGBCM-CYBMUJFWSA-N 1 0 349.453 -1.188 20 0 EAADRO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001176592845 787867916 /nfs/dbraw/zinc/86/79/16/787867916.db2.gz FNZDMGKPWCGBCM-ZDUSSCGKSA-N 1 0 349.453 -1.188 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O)c1nnnn1C ZINC001176592863 787868038 /nfs/dbraw/zinc/86/80/38/787868038.db2.gz GOZGTHNWBIBBIV-NXEZZACHSA-N 1 0 330.414 -1.056 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCS1(=O)=O)c1nnnn1C ZINC001176592864 787867481 /nfs/dbraw/zinc/86/74/81/787867481.db2.gz GOZGTHNWBIBBIV-UWVGGRQHSA-N 1 0 330.414 -1.056 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O)c1nnnn1C ZINC001176592865 787868055 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O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCCS1(=O)=O ZINC001176593863 787867693 /nfs/dbraw/zinc/86/76/93/787867693.db2.gz PZPMSHJSKMMFOG-VHSXEESVSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCCS1(=O)=O ZINC001176593864 787867854 /nfs/dbraw/zinc/86/78/54/787867854.db2.gz PZPMSHJSKMMFOG-ZJUUUORDSA-N 1 0 331.394 -1.535 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCS1(=O)=O ZINC001176594169 787867938 /nfs/dbraw/zinc/86/79/38/787867938.db2.gz VIJAECMKLMAJGE-JTQLQIEISA-N 1 0 346.409 -1.789 20 0 EAADRO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCS1(=O)=O ZINC001176594170 787867355 /nfs/dbraw/zinc/86/73/55/787867355.db2.gz VIJAECMKLMAJGE-SNVBAGLBSA-N 1 0 346.409 -1.789 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1CCCS1(=O)=O ZINC001176594501 787867536 /nfs/dbraw/zinc/86/75/36/787867536.db2.gz ZUDFGSCHVRABPY-LLVKDONJSA-N 1 0 332.426 -1.315 20 0 EAADRO O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1CCCS1(=O)=O ZINC001176594502 787867595 /nfs/dbraw/zinc/86/75/95/787867595.db2.gz ZUDFGSCHVRABPY-NSHDSACASA-N 1 0 332.426 -1.315 20 0 EAADRO Cn1nc(C2CC2)nc1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176605117 787868435 /nfs/dbraw/zinc/86/84/35/787868435.db2.gz FFCSGJFQWALYBO-UHFFFAOYSA-N 1 0 337.384 -1.474 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1noc2c1COCC2 ZINC001176605846 787868635 /nfs/dbraw/zinc/86/86/35/787868635.db2.gz JOQAXHLFVJZUIW-UHFFFAOYSA-N 1 0 339.352 -1.088 20 0 EAADRO Cn1nc(C2CC2)nc1CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176606100 787868558 /nfs/dbraw/zinc/86/85/58/787868558.db2.gz PQDJDEQVEVHKEZ-UHFFFAOYSA-N 1 0 348.411 -1.047 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1noc2c1COCC2 ZINC001176606353 787869929 /nfs/dbraw/zinc/86/99/29/787869929.db2.gz TXVOCUDCVIVAGO-UHFFFAOYSA-N 1 0 325.325 -1.348 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176618602 787867743 /nfs/dbraw/zinc/86/77/43/787867743.db2.gz BSTYJIIOGXXODH-SSDOTTSWSA-N 1 0 330.366 -1.260 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176618603 787867340 /nfs/dbraw/zinc/86/73/40/787867340.db2.gz BSTYJIIOGXXODH-ZETCQYMHSA-N 1 0 330.366 -1.260 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176627091 787868120 /nfs/dbraw/zinc/86/81/20/787868120.db2.gz HXCKHWMTHPFAPH-CYBMUJFWSA-N 1 0 327.429 -1.172 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176627094 787867505 /nfs/dbraw/zinc/86/75/05/787867505.db2.gz HXCKHWMTHPFAPH-ZDUSSCGKSA-N 1 0 327.429 -1.172 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001176627152 787867437 /nfs/dbraw/zinc/86/74/37/787867437.db2.gz IUXUQUGBJDAHKT-CABCVRRESA-N 1 0 347.456 -1.173 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001176627184 787867662 /nfs/dbraw/zinc/86/76/62/787867662.db2.gz IUXUQUGBJDAHKT-GJZGRUSLSA-N 1 0 347.456 -1.173 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001176627188 787867884 /nfs/dbraw/zinc/86/78/84/787867884.db2.gz IUXUQUGBJDAHKT-HUUCEWRRSA-N 1 0 347.456 -1.173 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001176627190 787867605 /nfs/dbraw/zinc/86/76/05/787867605.db2.gz IUXUQUGBJDAHKT-LSDHHAIUSA-N 1 0 347.456 -1.173 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)C1 ZINC001176628463 787868089 /nfs/dbraw/zinc/86/80/89/787868089.db2.gz UMSKZRMRRKTBPR-HNNXBMFYSA-N 1 0 344.456 -1.044 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)C1 ZINC001176628464 787867633 /nfs/dbraw/zinc/86/76/33/787867633.db2.gz UMSKZRMRRKTBPR-OAHLLOKOSA-N 1 0 344.456 -1.044 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176638944 787868865 /nfs/dbraw/zinc/86/88/65/787868865.db2.gz KXHIZMQQOXOYMN-WDEREUQCSA-N 1 0 334.442 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)CCCC[NH2+]CCOCCO ZINC001176639180 787868260 /nfs/dbraw/zinc/86/82/60/787868260.db2.gz PCBJWYAEEDOXRZ-GFCCVEGCSA-N 1 0 339.458 -1.191 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCCC[NH2+]CCOCCO ZINC001176639181 787869786 /nfs/dbraw/zinc/86/97/86/787869786.db2.gz PCBJWYAEEDOXRZ-LBPRGKRZSA-N 1 0 339.458 -1.191 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1nnnn1C ZINC001176639367 787869091 /nfs/dbraw/zinc/86/90/91/787869091.db2.gz SVEDPYZWUSIQCG-JTQLQIEISA-N 1 0 347.445 -1.476 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)CCCC[NH2+]Cc1nnnn1C ZINC001176639368 787868503 /nfs/dbraw/zinc/86/85/03/787868503.db2.gz SVEDPYZWUSIQCG-SNVBAGLBSA-N 1 0 347.445 -1.476 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001176639625 787868771 /nfs/dbraw/zinc/86/87/71/787868771.db2.gz ZXHRHLZGQXZNGO-GHMZBOCLSA-N 1 0 336.458 -1.065 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001176639626 787869057 /nfs/dbraw/zinc/86/90/57/787869057.db2.gz ZXHRHLZGQXZNGO-MNOVXSKESA-N 1 0 336.458 -1.065 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001176639627 787868614 /nfs/dbraw/zinc/86/86/14/787868614.db2.gz ZXHRHLZGQXZNGO-QWRGUYRKSA-N 1 0 336.458 -1.065 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001176639628 787868842 /nfs/dbraw/zinc/86/88/42/787868842.db2.gz ZXHRHLZGQXZNGO-WDEREUQCSA-N 1 0 336.458 -1.065 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001176643373 787869629 /nfs/dbraw/zinc/86/96/29/787869629.db2.gz DIOHHCVIKPJRJE-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001176643377 787868581 /nfs/dbraw/zinc/86/85/81/787868581.db2.gz DIOHHCVIKPJRJE-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)C1 ZINC001176643652 787869489 /nfs/dbraw/zinc/86/94/89/787869489.db2.gz FESIJWSHSWSLEH-AWEZNQCLSA-N 1 0 344.456 -1.044 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)C1 ZINC001176643653 787869554 /nfs/dbraw/zinc/86/95/54/787869554.db2.gz FESIJWSHSWSLEH-CQSZACIVSA-N 1 0 344.456 -1.044 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176643728 787868958 /nfs/dbraw/zinc/86/89/58/787868958.db2.gz GWQNKYUHPMBWFU-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176643729 787869020 /nfs/dbraw/zinc/86/90/20/787869020.db2.gz GWQNKYUHPMBWFU-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO CCN1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176643730 787869459 /nfs/dbraw/zinc/86/94/59/787869459.db2.gz GWQNKYUHPMBWFU-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO CCN1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176643731 787868647 /nfs/dbraw/zinc/86/86/47/787868647.db2.gz GWQNKYUHPMBWFU-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001176676260 787869186 /nfs/dbraw/zinc/86/91/86/787869186.db2.gz UMBJTDLILWJTDL-AWEZNQCLSA-N 1 0 337.428 -1.083 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001176676263 787868732 /nfs/dbraw/zinc/86/87/32/787868732.db2.gz UMBJTDLILWJTDL-CQSZACIVSA-N 1 0 337.428 -1.083 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001176676609 787869883 /nfs/dbraw/zinc/86/98/83/787869883.db2.gz WTIMYEWLEPWHDN-CYBMUJFWSA-N 1 0 341.412 -1.612 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001176676610 787869907 /nfs/dbraw/zinc/86/99/07/787869907.db2.gz WTIMYEWLEPWHDN-ZDUSSCGKSA-N 1 0 341.412 -1.612 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001176677491 787869298 /nfs/dbraw/zinc/86/92/98/787869298.db2.gz LDRSOVXBFSGWEX-AAEUAGOBSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001176677493 787868379 /nfs/dbraw/zinc/86/83/79/787868379.db2.gz LDRSOVXBFSGWEX-DGCLKSJQSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001176677495 787869221 /nfs/dbraw/zinc/86/92/21/787869221.db2.gz LDRSOVXBFSGWEX-WCQYABFASA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001176677496 787868524 /nfs/dbraw/zinc/86/85/24/787868524.db2.gz LDRSOVXBFSGWEX-YPMHNXCESA-N 1 0 328.413 -1.016 20 0 EAADRO CC[C@H](C)[C@H](NC(C)=O)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176713643 787869122 /nfs/dbraw/zinc/86/91/22/787869122.db2.gz YSZKOVFZRVYVDN-CABZTGNLSA-N 1 0 329.401 -1.172 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CNC(=O)Cn1cncn1 ZINC001176738168 787868366 /nfs/dbraw/zinc/86/83/66/787868366.db2.gz PIYCXJJFICEHAF-LLVKDONJSA-N 1 0 339.400 -1.856 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CNC(=O)Cn1cncn1 ZINC001176738172 787868461 /nfs/dbraw/zinc/86/84/61/787868461.db2.gz PIYCXJJFICEHAF-NSHDSACASA-N 1 0 339.400 -1.856 20 0 EAADRO C[C@H](CCCC[NH2+]CCO)NC(=O)CNC(=O)Cn1cncn1 ZINC001176739136 787868948 /nfs/dbraw/zinc/86/89/48/787868948.db2.gz UMAYDQDVGOKPSI-GFCCVEGCSA-N 1 0 326.401 -1.349 20 0 EAADRO C[C@@H](CCCC[NH2+]CCO)NC(=O)CNC(=O)Cn1cncn1 ZINC001176739144 787869139 /nfs/dbraw/zinc/86/91/39/787869139.db2.gz UMAYDQDVGOKPSI-LBPRGKRZSA-N 1 0 326.401 -1.349 20 0 EAADRO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176752988 787868911 /nfs/dbraw/zinc/86/89/11/787868911.db2.gz BYOHZVLWZFXRQQ-SECBINFHSA-N 1 0 325.373 -1.873 20 0 EAADRO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176752994 787868317 /nfs/dbraw/zinc/86/83/17/787868317.db2.gz BYOHZVLWZFXRQQ-VIFPVBQESA-N 1 0 325.373 -1.873 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176753286 787868303 /nfs/dbraw/zinc/86/83/03/787868303.db2.gz FFLLGDMSBXVAEE-JTQLQIEISA-N 1 0 339.400 -1.612 20 0 EAADRO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176753287 787869520 /nfs/dbraw/zinc/86/95/20/787869520.db2.gz FFLLGDMSBXVAEE-SNVBAGLBSA-N 1 0 339.400 -1.612 20 0 EAADRO C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176753382 787869534 /nfs/dbraw/zinc/86/95/34/787869534.db2.gz HGUPBZBNTIQWBI-NXEZZACHSA-N 1 0 339.400 -1.485 20 0 EAADRO C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176753383 787868830 /nfs/dbraw/zinc/86/88/30/787868830.db2.gz HGUPBZBNTIQWBI-UWVGGRQHSA-N 1 0 339.400 -1.485 20 0 EAADRO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001176753384 787869834 /nfs/dbraw/zinc/86/98/34/787869834.db2.gz HGUPBZBNTIQWBI-VHSXEESVSA-N 1 0 339.400 -1.485 20 0 EAADRO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176753385 787868939 /nfs/dbraw/zinc/86/89/39/787868939.db2.gz HGUPBZBNTIQWBI-ZJUUUORDSA-N 1 0 339.400 -1.485 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cccnc2C(N)=O)nc1=O ZINC001176768044 787869311 /nfs/dbraw/zinc/86/93/11/787869311.db2.gz DBALWDOUKLURKC-UHFFFAOYSA-N 1 0 333.352 -1.488 20 0 EAADRO NC(=O)c1ncccc1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176772677 787869680 /nfs/dbraw/zinc/86/96/80/787869680.db2.gz JNLBEVKBVSMPOP-UHFFFAOYSA-N 1 0 334.380 -1.085 20 0 EAADRO NC(=O)c1ncccc1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176772799 787868422 /nfs/dbraw/zinc/86/84/22/787868422.db2.gz KGRMSEMIXRCUMW-JTQLQIEISA-N 1 0 333.348 -1.305 20 0 EAADRO NC(=O)c1ncccc1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176772801 787869288 /nfs/dbraw/zinc/86/92/88/787869288.db2.gz KGRMSEMIXRCUMW-SNVBAGLBSA-N 1 0 333.348 -1.305 20 0 EAADRO CCN(CC)C(=O)CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176772984 787868850 /nfs/dbraw/zinc/86/88/50/787868850.db2.gz OREOEFWEAWGVAL-UHFFFAOYSA-N 1 0 329.401 -1.074 20 0 EAADRO NC(=O)c1ncccc1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176773062 787868641 /nfs/dbraw/zinc/86/86/41/787868641.db2.gz RXUWDGYDHGSZOK-UHFFFAOYSA-N 1 0 349.391 -1.251 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)c1cccnc1C(N)=O ZINC001176773146 787868793 /nfs/dbraw/zinc/86/87/93/787868793.db2.gz TWDCDHWMDXYORT-UHFFFAOYSA-N 1 0 328.394 -1.065 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cccnc1C(N)=O ZINC001176773416 787869175 /nfs/dbraw/zinc/86/91/75/787869175.db2.gz ZSHHTAZNRLMTGI-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cccnc1C(N)=O ZINC001176777724 787868814 /nfs/dbraw/zinc/86/88/14/787868814.db2.gz DKWPHNRPKRNSEG-UHFFFAOYSA-N 1 0 343.409 -1.561 20 0 EAADRO NC(=O)c1ncccc1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176778328 787868758 /nfs/dbraw/zinc/86/87/58/787868758.db2.gz LPZLNPHSEHYHDQ-UHFFFAOYSA-N 1 0 348.363 -1.558 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cccnc1C(N)=O)C(=O)NC(N)=O ZINC001176779292 787868749 /nfs/dbraw/zinc/86/87/49/787868749.db2.gz YTWJEWPTKNVGGZ-MRVPVSSYSA-N 1 0 336.352 -1.527 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cccnc1C(N)=O)C(=O)NC(N)=O ZINC001176779293 787869107 /nfs/dbraw/zinc/86/91/07/787869107.db2.gz YTWJEWPTKNVGGZ-QMMMGPOBSA-N 1 0 336.352 -1.527 20 0 EAADRO O=C(CNC(=O)c1ccccn1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176807753 787869738 /nfs/dbraw/zinc/86/97/38/787869738.db2.gz IXWLRPZKRZHJRX-GFCCVEGCSA-N 1 0 347.375 -1.288 20 0 EAADRO O=C(CNC(=O)c1ccccn1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176807754 787869152 /nfs/dbraw/zinc/86/91/52/787869152.db2.gz IXWLRPZKRZHJRX-LBPRGKRZSA-N 1 0 347.375 -1.288 20 0 EAADRO O=C(CNC(=O)c1ccccn1)NCCC[NH2+]CCN1CCNC1=O ZINC001176807944 787868928 /nfs/dbraw/zinc/86/89/28/787868928.db2.gz NFCIPIYNXYYULS-UHFFFAOYSA-N 1 0 348.407 -1.068 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccccn1 ZINC001176807965 787868395 /nfs/dbraw/zinc/86/83/95/787868395.db2.gz ODQSVFPAIGHNAL-UHFFFAOYSA-N 1 0 336.352 -1.898 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)CNC(=O)c2ccccn2)nc1=O ZINC001176812304 787869663 /nfs/dbraw/zinc/86/96/63/787869663.db2.gz DNPAXOWVYLCXNT-UHFFFAOYSA-N 1 0 347.379 -1.471 20 0 EAADRO Cn1nnnc1C[NH2+]CCCNC(=O)CNC(=O)c1ccccn1 ZINC001176812699 787868683 /nfs/dbraw/zinc/86/86/83/787868683.db2.gz QVMOHAPKVQCXJN-UHFFFAOYSA-N 1 0 332.368 -1.369 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)CNC(=O)c1ccccn1 ZINC001176812714 787869388 /nfs/dbraw/zinc/86/93/88/787869388.db2.gz RQFSSSAVEXUYGN-UHFFFAOYSA-N 1 0 342.421 -1.048 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCCC[NH2+]CCOCCO ZINC001176817284 787870939 /nfs/dbraw/zinc/87/09/39/787870939.db2.gz BAZRQRHXUWDEBP-UHFFFAOYSA-N 1 0 325.431 -1.627 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001176817285 787870543 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/nfs/dbraw/zinc/88/22/28/787882228.db2.gz BFIWBHIZMPUDDK-UHFFFAOYSA-N 1 0 339.400 -1.612 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CCOCC(F)F)nn1 ZINC001176955871 787882365 /nfs/dbraw/zinc/88/23/65/787882365.db2.gz BKUFWHGFYSQIKA-UHFFFAOYSA-N 1 0 334.327 -1.245 20 0 EAADRO CCCNC(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176955874 787881822 /nfs/dbraw/zinc/88/18/22/787881822.db2.gz BUHHTNXBSPLUNH-UHFFFAOYSA-N 1 0 325.373 -2.001 20 0 EAADRO Cc1ccnc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176955877 787881477 /nfs/dbraw/zinc/88/14/77/787881477.db2.gz BVEIUYCECGRJGC-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO CCc1nnc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1C ZINC001176955881 787881766 /nfs/dbraw/zinc/88/17/66/787881766.db2.gz CAKJLWIMTZXXFS-UHFFFAOYSA-N 1 0 349.399 -1.636 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)c1nnnn1C ZINC001176955885 787881912 /nfs/dbraw/zinc/88/19/12/787881912.db2.gz CDNOFTCUDAEWMN-MRVPVSSYSA-N 1 0 336.360 -2.242 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)c1nnnn1C ZINC001176955886 787881797 /nfs/dbraw/zinc/88/17/97/787881797.db2.gz CDNOFTCUDAEWMN-QMMMGPOBSA-N 1 0 336.360 -2.242 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176955894 787882379 /nfs/dbraw/zinc/88/23/79/787882379.db2.gz CLTRYQKPUUFSNY-UHFFFAOYSA-N 1 0 334.398 -1.931 20 0 EAADRO CC(C)n1cc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)nn1 ZINC001176955907 787882167 /nfs/dbraw/zinc/88/21/67/787882167.db2.gz DBJFXMGEIDRQBR-UHFFFAOYSA-N 1 0 349.399 -1.155 20 0 EAADRO CCn1ncnc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176955908 787882500 /nfs/dbraw/zinc/88/25/00/787882500.db2.gz DBTVOCUOCQURPB-UHFFFAOYSA-N 1 0 335.372 -1.716 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001176955949 787881670 /nfs/dbraw/zinc/88/16/70/787881670.db2.gz GTWYILNHGALFBM-UHFFFAOYSA-N 1 0 348.425 -1.541 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CC(=O)N2CCCC2)nn1 ZINC001176955960 787881661 /nfs/dbraw/zinc/88/16/61/787881661.db2.gz 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CN1CCC[C@@H]([NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001176956020 787882702 /nfs/dbraw/zinc/88/27/02/787882702.db2.gz JUYKQVTUKPDMBH-SNVBAGLBSA-N 1 0 337.384 -1.906 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001176956028 787882421 /nfs/dbraw/zinc/88/24/21/787882421.db2.gz KBJBVDZBTCVELI-SECBINFHSA-N 1 0 336.414 -1.639 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001176956029 787881467 /nfs/dbraw/zinc/88/14/67/787881467.db2.gz KBJBVDZBTCVELI-VIFPVBQESA-N 1 0 336.414 -1.639 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001176956035 787881281 /nfs/dbraw/zinc/88/12/81/787881281.db2.gz KNKNQVANLHJXEZ-UHFFFAOYSA-N 1 0 343.471 -1.544 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956040 787882073 /nfs/dbraw/zinc/88/20/73/787882073.db2.gz KQCGXKWFAQMBOJ-JTQLQIEISA-N 1 0 339.400 -1.612 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956041 787882726 /nfs/dbraw/zinc/88/27/26/787882726.db2.gz KQCGXKWFAQMBOJ-SNVBAGLBSA-N 1 0 339.400 -1.612 20 0 EAADRO CCCn1ncnc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956042 787881853 /nfs/dbraw/zinc/88/18/53/787881853.db2.gz KQCKYCPWFVRIQB-UHFFFAOYSA-N 1 0 349.399 -1.325 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956053 787881404 /nfs/dbraw/zinc/88/14/04/787881404.db2.gz KZOOYFLOUMHFOF-UHFFFAOYSA-N 1 0 339.400 -1.659 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956064 787882477 /nfs/dbraw/zinc/88/24/77/787882477.db2.gz LTXHBHUDSCYQHA-UHFFFAOYSA-N 1 0 334.384 -1.285 20 0 EAADRO CN(C(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001176956077 787882390 /nfs/dbraw/zinc/88/23/90/787882390.db2.gz MHYVOLHXQFJDRT-UHFFFAOYSA-N 1 0 337.384 -1.906 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956080 787882311 /nfs/dbraw/zinc/88/23/11/787882311.db2.gz MKZZYINDOROAIE-UHFFFAOYSA-N 1 0 340.344 -3.072 20 0 EAADRO CCn1cc(CC[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001176956107 787881751 /nfs/dbraw/zinc/88/17/51/787881751.db2.gz NPKKRRWGDKUIGX-UHFFFAOYSA-N 1 0 348.411 -1.068 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176956108 787883440 /nfs/dbraw/zinc/88/34/40/787883440.db2.gz NSFVLLYAPAECIW-UHFFFAOYSA-N 1 0 349.399 -1.619 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956110 787883225 /nfs/dbraw/zinc/88/32/25/787883225.db2.gz NWRLAQBDPNKBBW-UHFFFAOYSA-N 1 0 325.373 -2.003 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)nn1C ZINC001176956125 787884112 /nfs/dbraw/zinc/88/41/12/787884112.db2.gz ONGPKOAUXQRBLU-UHFFFAOYSA-N 1 0 334.384 -1.285 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001176956132 787882999 /nfs/dbraw/zinc/88/29/99/787882999.db2.gz OYSHGWHMTRWNIW-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001176956133 787884042 /nfs/dbraw/zinc/88/40/42/787884042.db2.gz OYSHGWHMTRWNIW-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001176956141 787884083 /nfs/dbraw/zinc/88/40/83/787884083.db2.gz PHKIJKWVOUUQBE-UHFFFAOYSA-N 1 0 333.410 -1.334 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)nn1 ZINC001176956142 787883304 /nfs/dbraw/zinc/88/33/04/787883304.db2.gz PHKJZIKZDKVRRM-MRVPVSSYSA-N 1 0 337.340 -2.722 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)nn1 ZINC001176956143 787884050 /nfs/dbraw/zinc/88/40/50/787884050.db2.gz PHKJZIKZDKVRRM-QMMMGPOBSA-N 1 0 337.340 -2.722 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956155 787883432 /nfs/dbraw/zinc/88/34/32/787883432.db2.gz PZVIKGWOXUWPBS-UHFFFAOYSA-N 1 0 339.400 -1.660 20 0 EAADRO Cn1nccc1CC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956162 787883282 /nfs/dbraw/zinc/88/32/82/787883282.db2.gz QJSCISOSNRKJJD-UHFFFAOYSA-N 1 0 334.384 -1.551 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176956184 787883551 /nfs/dbraw/zinc/88/35/51/787883551.db2.gz REVJUGAFEUXMBQ-UHFFFAOYSA-N 1 0 329.444 -1.934 20 0 EAADRO CCn1ccnc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956198 787884322 /nfs/dbraw/zinc/88/43/22/787884322.db2.gz RNQVSDRXOOZXPV-UHFFFAOYSA-N 1 0 334.384 -1.111 20 0 EAADRO CCn1ncc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176956219 787883315 /nfs/dbraw/zinc/88/33/15/787883315.db2.gz SGQDCBXILVAUGE-UHFFFAOYSA-N 1 0 335.372 -1.716 20 0 EAADRO COc1ccc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)nn1 ZINC001176956220 787883820 /nfs/dbraw/zinc/88/38/20/787883820.db2.gz SJJSNSIXUNSTIR-UHFFFAOYSA-N 1 0 348.367 -1.528 20 0 EAADRO COc1nccc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176956229 787883033 /nfs/dbraw/zinc/88/30/33/787883033.db2.gz SSCKLONGNAGGCO-UHFFFAOYSA-N 1 0 348.367 -1.528 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2nnnn2C2CC2)nn1 ZINC001176956244 787883924 /nfs/dbraw/zinc/88/39/24/787883924.db2.gz UCOLVOIRHLFNGM-UHFFFAOYSA-N 1 0 348.371 -2.006 20 0 EAADRO COCCOCC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956312 787883503 /nfs/dbraw/zinc/88/35/03/787883503.db2.gz VJNZXMLNDBPEAK-UHFFFAOYSA-N 1 0 328.373 -1.864 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956320 787883162 /nfs/dbraw/zinc/88/31/62/787883162.db2.gz VUKFIBYLXVAMSF-UHFFFAOYSA-N 1 0 325.373 -2.049 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CC(=O)NCC2CC2)nn1 ZINC001176956368 787883911 /nfs/dbraw/zinc/88/39/11/787883911.db2.gz WPMWSWISFBXJGX-UHFFFAOYSA-N 1 0 337.384 -2.001 20 0 EAADRO CCn1nncc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956380 787883192 /nfs/dbraw/zinc/88/31/92/787883192.db2.gz WVRHYYWCSQVNEH-UHFFFAOYSA-N 1 0 335.372 -1.716 20 0 EAADRO CCCCNC(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956387 787883462 /nfs/dbraw/zinc/88/34/62/787883462.db2.gz WWDRPAALTNCIGV-UHFFFAOYSA-N 1 0 339.400 -1.611 20 0 EAADRO Cc1nnc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)s1 ZINC001176956399 787883790 /nfs/dbraw/zinc/88/37/90/787883790.db2.gz XJVSGMCFDMJZMF-UHFFFAOYSA-N 1 0 338.397 -1.167 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)nc1=O ZINC001176956405 787883252 /nfs/dbraw/zinc/88/32/52/787883252.db2.gz XMJMJHIPCOJSRG-UHFFFAOYSA-N 1 0 337.344 -2.905 20 0 EAADRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001176956444 787883124 /nfs/dbraw/zinc/88/31/24/787883124.db2.gz YLVUBTQAUOGMAG-UHFFFAOYSA-N 1 0 328.456 -1.048 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2nnc(C3CC3)[nH]2)nn1 ZINC001176956446 787883235 /nfs/dbraw/zinc/88/32/35/787883235.db2.gz YOCLXQQUFMZQSC-UHFFFAOYSA-N 1 0 347.383 -1.331 20 0 EAADRO CCn1nnc(C)c1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956454 787883579 /nfs/dbraw/zinc/88/35/79/787883579.db2.gz YVTCFOHCNJHEDW-UHFFFAOYSA-N 1 0 349.399 -1.407 20 0 EAADRO CCn1c(C)nnc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956473 787882831 /nfs/dbraw/zinc/88/28/31/787882831.db2.gz ZRMKOUFMUKYUIW-UHFFFAOYSA-N 1 0 349.399 -1.407 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2cc3n(n2)CCC3)nn1 ZINC001176961004 787883744 /nfs/dbraw/zinc/88/37/44/787883744.db2.gz AWOIXYIWQCPULF-UHFFFAOYSA-N 1 0 346.395 -1.184 20 0 EAADRO CCc1nnc([C@@H](C)[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001176961020 787884350 /nfs/dbraw/zinc/88/43/50/787884350.db2.gz BPCYRIMAUFBYJF-SECBINFHSA-N 1 0 349.399 -1.085 20 0 EAADRO CCc1nnc([C@H](C)[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001176961021 787883010 /nfs/dbraw/zinc/88/30/10/787883010.db2.gz BPCYRIMAUFBYJF-VIFPVBQESA-N 1 0 349.399 -1.085 20 0 EAADRO Cc1cnc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001176961031 787882939 /nfs/dbraw/zinc/88/29/39/787882939.db2.gz BXZSJTYCRNKQPJ-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]C[C@H]2C[C@]23CCOC3)nn1 ZINC001176961066 787884088 /nfs/dbraw/zinc/88/40/88/787884088.db2.gz CRFRCFSOZYHXCQ-ABAIWWIYSA-N 1 0 336.396 -1.101 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]C[C@H]2C[C@@]23CCOC3)nn1 ZINC001176961067 787883066 /nfs/dbraw/zinc/88/30/66/787883066.db2.gz CRFRCFSOZYHXCQ-IAQYHMDHSA-N 1 0 336.396 -1.101 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]C[C@@H]2C[C@]23CCOC3)nn1 ZINC001176961068 787884155 /nfs/dbraw/zinc/88/41/55/787884155.db2.gz CRFRCFSOZYHXCQ-NHYWBVRUSA-N 1 0 336.396 -1.101 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]C[C@@H]2C[C@@]23CCOC3)nn1 ZINC001176961070 787884193 /nfs/dbraw/zinc/88/41/93/787884193.db2.gz CRFRCFSOZYHXCQ-XHDPSFHLSA-N 1 0 336.396 -1.101 20 0 EAADRO Cc1nnc([C@@H](C)[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001176961087 787883403 /nfs/dbraw/zinc/88/34/03/787883403.db2.gz DDUSGJHDSRIZGY-MRVPVSSYSA-N 1 0 335.372 -1.339 20 0 EAADRO Cc1nnc([C@H](C)[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001176961107 787883620 /nfs/dbraw/zinc/88/36/20/787883620.db2.gz DDUSGJHDSRIZGY-QMMMGPOBSA-N 1 0 335.372 -1.339 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176961131 787883688 /nfs/dbraw/zinc/88/36/88/787883688.db2.gz DKOQTOMQNPMOHI-UHFFFAOYSA-N 1 0 347.401 -2.978 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CCN2CCNC2=O)nn1 ZINC001176961138 787883380 /nfs/dbraw/zinc/88/33/80/787883380.db2.gz DNDSRQPVVZWCOW-UHFFFAOYSA-N 1 0 338.372 -2.502 20 0 EAADRO Cc1ncc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001176961157 787883992 /nfs/dbraw/zinc/88/39/92/787883992.db2.gz DSILLUMVQVIHQU-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)C(=O)N(C)C ZINC001176961286 787883712 /nfs/dbraw/zinc/88/37/12/787883712.db2.gz JSTNTXMEQDMGGJ-SECBINFHSA-N 1 0 325.373 -2.050 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)C(=O)N(C)C ZINC001176961287 787883952 /nfs/dbraw/zinc/88/39/52/787883952.db2.gz JSTNTXMEQDMGGJ-VIFPVBQESA-N 1 0 325.373 -2.050 20 0 EAADRO Cc1nnsc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176961309 787884169 /nfs/dbraw/zinc/88/41/69/787884169.db2.gz KUVTUTMLVPAJNP-UHFFFAOYSA-N 1 0 338.397 -1.167 20 0 EAADRO Cc1cc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)ncn1 ZINC001176961310 787883334 /nfs/dbraw/zinc/88/33/34/787883334.db2.gz KVFIAUJNDVDABY-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CCNC(=O)C2CC2)nn1 ZINC001176961318 787883644 /nfs/dbraw/zinc/88/36/44/787883644.db2.gz KYBGRILFEOMGOA-UHFFFAOYSA-N 1 0 337.384 -2.001 20 0 EAADRO Cc1cc(C)n(CC[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176961321 787883392 /nfs/dbraw/zinc/88/33/92/787883392.db2.gz KZOIMOVESFHGDO-UHFFFAOYSA-N 1 0 348.411 -1.014 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CCO[C@H]2CC2(F)F)nn1 ZINC001176961364 787883172 /nfs/dbraw/zinc/88/31/72/787883172.db2.gz MDMPJGFRHJBIRC-JTQLQIEISA-N 1 0 346.338 -1.103 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CCO[C@@H]2CC2(F)F)nn1 ZINC001176961367 787882855 /nfs/dbraw/zinc/88/28/55/787882855.db2.gz MDMPJGFRHJBIRC-SNVBAGLBSA-N 1 0 346.338 -1.103 20 0 EAADRO CCn1nc(C)c(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176961375 787883526 /nfs/dbraw/zinc/88/35/26/787883526.db2.gz MLPBEVWLTXENQB-UHFFFAOYSA-N 1 0 349.399 -1.407 20 0 EAADRO CCN1CC[C@H]([NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001176961410 787883133 /nfs/dbraw/zinc/88/31/33/787883133.db2.gz NIQYOIGDLQRULO-JTQLQIEISA-N 1 0 337.384 -1.906 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001176961412 787883811 /nfs/dbraw/zinc/88/38/11/787883811.db2.gz NIQYOIGDLQRULO-SNVBAGLBSA-N 1 0 337.384 -1.906 20 0 EAADRO Cc1nccnc1C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176961595 787884289 /nfs/dbraw/zinc/88/42/89/787884289.db2.gz PJZIGECXLZSBGO-UHFFFAOYSA-N 1 0 332.368 -1.228 20 0 EAADRO CCn1ccc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176961609 787884266 /nfs/dbraw/zinc/88/42/66/787884266.db2.gz QDPQTTYQCUBGEP-UHFFFAOYSA-N 1 0 334.384 -1.111 20 0 EAADRO CCCC[C@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001176961623 787884101 /nfs/dbraw/zinc/88/41/01/787884101.db2.gz QRIKJDVMGSZOFK-JTQLQIEISA-N 1 0 339.400 -1.483 20 0 EAADRO CCCC[C@@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001176961624 787883593 /nfs/dbraw/zinc/88/35/93/787883593.db2.gz QRIKJDVMGSZOFK-SNVBAGLBSA-N 1 0 339.400 -1.483 20 0 EAADRO CS(=O)(=O)CCC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176961632 787883271 /nfs/dbraw/zinc/88/32/71/787883271.db2.gz RALBMKNMZHGCCD-UHFFFAOYSA-N 1 0 346.413 -2.092 20 0 EAADRO CCn1cc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)nn1 ZINC001176961680 787883664 /nfs/dbraw/zinc/88/36/64/787883664.db2.gz UMQFDUAEJQZDCW-UHFFFAOYSA-N 1 0 335.372 -1.716 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176961718 787883478 /nfs/dbraw/zinc/88/34/78/787883478.db2.gz VDAFVDYJRYPEKA-UHFFFAOYSA-N 1 0 339.400 -1.755 20 0 EAADRO COc1cncc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176961740 787882917 /nfs/dbraw/zinc/88/29/17/787882917.db2.gz VNUMWLHNGGBQMW-UHFFFAOYSA-N 1 0 348.367 -1.528 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]CCN2CCCC2=O)nn1 ZINC001176961751 787884131 /nfs/dbraw/zinc/88/41/31/787884131.db2.gz VTEVDZRPZUIXSP-UHFFFAOYSA-N 1 0 337.384 -1.905 20 0 EAADRO Cc1sc(=O)n(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1C ZINC001176961785 787883607 /nfs/dbraw/zinc/88/36/07/787883607.db2.gz WOXSVMFZLUPJKV-UHFFFAOYSA-N 1 0 343.409 -1.183 20 0 EAADRO COc1cc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)on1 ZINC001176961800 787884247 /nfs/dbraw/zinc/88/42/47/787884247.db2.gz WSSYQGGKYDAWDT-UHFFFAOYSA-N 1 0 337.340 -1.330 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)c1nncn1C ZINC001176961803 787883857 /nfs/dbraw/zinc/88/38/57/787883857.db2.gz WSXFCDZFQGZXPK-SECBINFHSA-N 1 0 335.372 -1.637 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1)c1nncn1C ZINC001176961808 787884018 /nfs/dbraw/zinc/88/40/18/787884018.db2.gz WSXFCDZFQGZXPK-VIFPVBQESA-N 1 0 335.372 -1.637 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]C[C@@H]2CCc3ncnn32)nn1 ZINC001176961929 787883148 /nfs/dbraw/zinc/88/31/48/787883148.db2.gz ZKAYRNRWIXDDJW-JTQLQIEISA-N 1 0 347.383 -1.748 20 0 EAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]C[C@H]2CCc3ncnn32)nn1 ZINC001176961947 787883181 /nfs/dbraw/zinc/88/31/81/787883181.db2.gz ZKAYRNRWIXDDJW-SNVBAGLBSA-N 1 0 347.383 -1.748 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2cnon2)nn1 ZINC001176971556 787885783 /nfs/dbraw/zinc/88/57/83/787885783.db2.gz 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CCn1nc(C)c(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)n1 ZINC001177510733 787911209 /nfs/dbraw/zinc/91/12/09/787911209.db2.gz LUIFWEXTMPBCSE-VIFPVBQESA-N 1 0 325.373 -1.101 20 0 EAADRO CCn1nc(C)c(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001177511679 787911852 /nfs/dbraw/zinc/91/18/52/787911852.db2.gz SCZSLUXOEQBAJF-UHFFFAOYSA-N 1 0 337.384 -1.132 20 0 EAADRO Cn1cc(CCC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)nn1 ZINC001177512111 787912030 /nfs/dbraw/zinc/91/20/30/787912030.db2.gz VIMBXWSDCCBBBG-UHFFFAOYSA-N 1 0 338.412 -1.298 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)CCc1cn(C)nn1 ZINC001177512139 787911990 /nfs/dbraw/zinc/91/19/90/787911990.db2.gz WNTOTMWPSHZNCM-UHFFFAOYSA-N 1 0 340.428 -1.004 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1cn(C)nn1 ZINC001177512395 787911889 /nfs/dbraw/zinc/91/18/89/787911889.db2.gz ZJQQMVAVGQEEFQ-UHFFFAOYSA-N 1 0 325.373 -1.701 20 0 EAADRO CCn1nc(C)c(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001177512406 787911962 /nfs/dbraw/zinc/91/19/62/787911962.db2.gz ZTMIEQUKMGQAPQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/91/15/98/787911598.db2.gz HQEHRIXZNFSIGH-SNVBAGLBSA-N 1 0 339.400 -1.312 20 0 EAADRO Cn1cc(CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O)nn1 ZINC001177517279 787911833 /nfs/dbraw/zinc/91/18/33/787911833.db2.gz LDJSRKYTHVKYKG-UHFFFAOYSA-N 1 0 332.430 -1.607 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1cn(C)nn1 ZINC001177517343 787912118 /nfs/dbraw/zinc/91/21/18/787912118.db2.gz OCOKDMBPSGBUBD-UHFFFAOYSA-N 1 0 346.457 -1.217 20 0 EAADRO Cn1cc(CCC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)nn1 ZINC001177517347 787912154 /nfs/dbraw/zinc/91/21/54/787912154.db2.gz OGRROUQJDUUTTN-UHFFFAOYSA-N 1 0 336.396 -1.007 20 0 EAADRO Cn1cc(CCC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001177517480 787912140 /nfs/dbraw/zinc/91/21/40/787912140.db2.gz QAXBICLUTQWBJG-UHFFFAOYSA-N 1 0 337.384 -1.605 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)CCc1cn(C)nn1)C(=O)NC(N)=O ZINC001177517534 787911843 /nfs/dbraw/zinc/91/18/43/787911843.db2.gz SAGPUOIEUZFMHB-SECBINFHSA-N 1 0 325.373 -1.573 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)CCc1cn(C)nn1)C(=O)NC(N)=O ZINC001177517535 787911222 /nfs/dbraw/zinc/91/12/22/787911222.db2.gz SAGPUOIEUZFMHB-VIFPVBQESA-N 1 0 325.373 -1.573 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001177524077 787911571 /nfs/dbraw/zinc/91/15/71/787911571.db2.gz DQRBZKQSOVGMKR-NXEZZACHSA-N 1 0 329.401 -1.187 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001177524078 787911742 /nfs/dbraw/zinc/91/17/42/787911742.db2.gz DQRBZKQSOVGMKR-UWVGGRQHSA-N 1 0 329.401 -1.187 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001177524079 787911540 /nfs/dbraw/zinc/91/15/40/787911540.db2.gz DQRBZKQSOVGMKR-VHSXEESVSA-N 1 0 329.401 -1.187 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001177524080 787911952 /nfs/dbraw/zinc/91/19/52/787911952.db2.gz DQRBZKQSOVGMKR-ZJUUUORDSA-N 1 0 329.401 -1.187 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001177528164 787911772 /nfs/dbraw/zinc/91/17/72/787911772.db2.gz GHYFNAXFNJTMHS-LLVKDONJSA-N 1 0 336.458 -1.221 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001177528165 787911652 /nfs/dbraw/zinc/91/16/52/787911652.db2.gz GHYFNAXFNJTMHS-NSHDSACASA-N 1 0 336.458 -1.221 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001177528481 787911778 /nfs/dbraw/zinc/91/17/78/787911778.db2.gz OLXQQSFBRXTDFL-LLVKDONJSA-N 1 0 341.412 -1.218 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001177528482 787911936 /nfs/dbraw/zinc/91/19/36/787911936.db2.gz OLXQQSFBRXTDFL-NSHDSACASA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001177528676 787911396 /nfs/dbraw/zinc/91/13/96/787911396.db2.gz RDGVUNZQENTSMA-JTQLQIEISA-N 1 0 329.401 -1.315 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001177528677 787911524 /nfs/dbraw/zinc/91/15/24/787911524.db2.gz RDGVUNZQENTSMA-SNVBAGLBSA-N 1 0 329.401 -1.315 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001177529325 787911637 /nfs/dbraw/zinc/91/16/37/787911637.db2.gz XWWXHHCPZWSPTN-JTQLQIEISA-N 1 0 326.401 -1.148 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001177529327 787911996 /nfs/dbraw/zinc/91/19/96/787911996.db2.gz XWWXHHCPZWSPTN-SNVBAGLBSA-N 1 0 326.401 -1.148 20 0 EAADRO Cc1nc[nH]c1C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001177560601 787911503 /nfs/dbraw/zinc/91/15/03/787911503.db2.gz LSBPELFUUGKSDO-LLVKDONJSA-N 1 0 337.380 -1.062 20 0 EAADRO Cc1nc[nH]c1C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001177560602 787912009 /nfs/dbraw/zinc/91/20/09/787912009.db2.gz LSBPELFUUGKSDO-NSHDSACASA-N 1 0 337.380 -1.062 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)N1CCOCC1 ZINC001177569993 787913149 /nfs/dbraw/zinc/91/31/49/787913149.db2.gz CWOZMRZPIMMQAH-NSHDSACASA-N 1 0 326.401 -1.575 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177570040 787913421 /nfs/dbraw/zinc/91/34/21/787913421.db2.gz FLFLWUWDELLLNI-LBPRGKRZSA-N 1 0 343.428 -1.351 20 0 EAADRO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177570146 787913209 /nfs/dbraw/zinc/91/32/09/787913209.db2.gz KPXHWHIRAVYOGW-AWEZNQCLSA-N 1 0 344.456 -1.044 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177570535 787913129 /nfs/dbraw/zinc/91/31/29/787913129.db2.gz QNEZTDQIIWOBKC-GJZGRUSLSA-N 1 0 347.456 -1.173 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177570536 787912793 /nfs/dbraw/zinc/91/27/93/787912793.db2.gz QNEZTDQIIWOBKC-LSDHHAIUSA-N 1 0 347.456 -1.173 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)N1CCOCC1 ZINC001177570568 787913441 /nfs/dbraw/zinc/91/34/41/787913441.db2.gz RQZMSWRONVWRQL-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)N1CCOCC1 ZINC001177570569 787912807 /nfs/dbraw/zinc/91/28/07/787912807.db2.gz RQZMSWRONVWRQL-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO 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NC(=O)c1ccnc(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001177628778 787913909 /nfs/dbraw/zinc/91/39/09/787913909.db2.gz FCIXOELLPGFPIN-UHFFFAOYSA-N 1 0 348.363 -1.558 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001177629904 787914181 /nfs/dbraw/zinc/91/41/81/787914181.db2.gz QJOHSTDNMHXMHS-UHFFFAOYSA-N 1 0 343.409 -1.561 20 0 EAADRO NC(=O)c1ccnc(C(=O)NCCC[NH2+]CCN2CCNC2=O)c1 ZINC001177630162 787914213 /nfs/dbraw/zinc/91/42/13/787914213.db2.gz UCJVRPVRYYVZER-UHFFFAOYSA-N 1 0 334.380 -1.085 20 0 EAADRO C[C@@H]([NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1)C(=O)NC(N)=O ZINC001177630199 787914457 /nfs/dbraw/zinc/91/44/57/787914457.db2.gz VOHGXFAONOXXFX-MRVPVSSYSA-N 1 0 336.352 -1.527 20 0 EAADRO C[C@H]([NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1)C(=O)NC(N)=O ZINC001177630200 787913927 /nfs/dbraw/zinc/91/39/27/787913927.db2.gz VOHGXFAONOXXFX-QMMMGPOBSA-N 1 0 336.352 -1.527 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cc(C(N)=O)ccn2)nc1=O ZINC001177632434 787914504 /nfs/dbraw/zinc/91/45/04/787914504.db2.gz DDXUCEWCYNVKEK-UHFFFAOYSA-N 1 0 333.352 -1.488 20 0 EAADRO NC(=O)c1ccnc(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)c1 ZINC001177632730 787914340 /nfs/dbraw/zinc/91/43/40/787914340.db2.gz PKPFLTQTPLBSBM-UHFFFAOYSA-N 1 0 349.391 -1.251 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001177632749 787914113 /nfs/dbraw/zinc/91/41/13/787914113.db2.gz QHWJEBOGTGVHLJ-UHFFFAOYSA-N 1 0 336.352 -1.654 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001177633182 787914421 /nfs/dbraw/zinc/91/44/21/787914421.db2.gz WSHZJTRKLFXAKI-UHFFFAOYSA-N 1 0 328.394 -1.065 20 0 EAADRO NC(=O)c1ccnc(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001177633273 787913863 /nfs/dbraw/zinc/91/38/63/787913863.db2.gz ZDFIFNZMOYRDCL-JTQLQIEISA-N 1 0 333.348 -1.305 20 0 EAADRO NC(=O)c1ccnc(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001177633274 787913903 /nfs/dbraw/zinc/91/39/03/787913903.db2.gz ZDFIFNZMOYRDCL-SNVBAGLBSA-N 1 0 333.348 -1.305 20 0 EAADRO CCC(CC)C(=O)NCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001177644082 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COC[C@@H](O)C[NH2+]CCCNC(=O)CCCCCS(N)(=O)=O ZINC001177648941 787914386 /nfs/dbraw/zinc/91/43/86/787914386.db2.gz YGKQIUUQUNWKPX-LBPRGKRZSA-N 1 0 339.458 -1.062 20 0 EAADRO COCC(=O)NCCCCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001177663345 787914099 /nfs/dbraw/zinc/91/40/99/787914099.db2.gz NKYJJWFNTRCMRO-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001177732855 787915163 /nfs/dbraw/zinc/91/51/63/787915163.db2.gz COAOYXMHTJMFMP-UHFFFAOYSA-N 1 0 345.429 -2.570 20 0 EAADRO CC(=O)NCC(=O)NCCCCCC[NH2+]CCN1C(=O)CNC1=O ZINC001177775489 787914371 /nfs/dbraw/zinc/91/43/71/787914371.db2.gz KMEBHTWQBFGOCA-UHFFFAOYSA-N 1 0 341.412 -1.060 20 0 EAADRO CC(=O)NCC(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001177775743 787914466 /nfs/dbraw/zinc/91/44/66/787914466.db2.gz OWNXVVDQDUCENU-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CC(=O)NCC(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001177775744 787915154 /nfs/dbraw/zinc/91/51/54/787915154.db2.gz OWNXVVDQDUCENU-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO CC(=O)NCC(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O ZINC001177775982 787914903 /nfs/dbraw/zinc/91/49/03/787914903.db2.gz YUJAQYWTRUZOLE-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CNC(C)=O ZINC001177780212 787915215 /nfs/dbraw/zinc/91/52/15/787915215.db2.gz IHSDWUDBDUQHCU-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001177840417 787915833 /nfs/dbraw/zinc/91/58/33/787915833.db2.gz ZVFWKRYQLVTPEM-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001177840419 787916059 /nfs/dbraw/zinc/91/60/59/787916059.db2.gz ZVFWKRYQLVTPEM-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO NC(=O)NCC(=O)NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001177866969 787915809 /nfs/dbraw/zinc/91/58/09/787915809.db2.gz ADFNUMDJSIVLLT-JTQLQIEISA-N 1 0 327.385 -1.274 20 0 EAADRO NC(=O)NCC(=O)NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001177866970 787915970 /nfs/dbraw/zinc/91/59/70/787915970.db2.gz ADFNUMDJSIVLLT-SNVBAGLBSA-N 1 0 327.385 -1.274 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCCCCNC(=O)CNC(N)=O)nc1=O ZINC001177867052 787915670 /nfs/dbraw/zinc/91/56/70/787915670.db2.gz CHERAISYMJDTNJ-UHFFFAOYSA-N 1 0 327.389 -1.457 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177867088 787915933 /nfs/dbraw/zinc/91/59/33/787915933.db2.gz CVONIEKUUDTYDL-UHFFFAOYSA-N 1 0 344.416 -1.233 20 0 EAADRO COCCOC[C@H](O)C[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177867291 787916198 /nfs/dbraw/zinc/91/61/98/787916198.db2.gz GLKJLXURGPAFCE-CYBMUJFWSA-N 1 0 348.444 -1.055 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177867292 787916127 /nfs/dbraw/zinc/91/61/27/787916127.db2.gz GLKJLXURGPAFCE-ZDUSSCGKSA-N 1 0 348.444 -1.055 20 0 EAADRO NC(=O)NCC(=O)NCCCCCC[NH2+]CCN1CCNC1=O ZINC001177867333 787916290 /nfs/dbraw/zinc/91/62/90/787916290.db2.gz HMDOVULVGFNQLY-UHFFFAOYSA-N 1 0 328.417 -1.054 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177867870 787915888 /nfs/dbraw/zinc/91/58/88/787915888.db2.gz SBKSLIDAFWYVAK-UHFFFAOYSA-N 1 0 330.389 -1.624 20 0 EAADRO NC(=O)NCC(=O)NCCCCCC[NH2+]CC(=O)N1CCOCC1 ZINC001177867932 787915873 /nfs/dbraw/zinc/91/58/73/787915873.db2.gz WFMOSKAEDOHJHA-UHFFFAOYSA-N 1 0 343.428 -1.220 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)CNC(N)=O)C(=O)NC(N)=O ZINC001177868829 787915753 /nfs/dbraw/zinc/91/57/53/787915753.db2.gz IBNSHNIVWKPEFD-SECBINFHSA-N 1 0 330.389 -1.496 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)CNC(N)=O)C(=O)NC(N)=O ZINC001177868830 787916108 /nfs/dbraw/zinc/91/61/08/787916108.db2.gz IBNSHNIVWKPEFD-VIFPVBQESA-N 1 0 330.389 -1.496 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177869057 787915924 /nfs/dbraw/zinc/91/59/24/787915924.db2.gz RJIPMXGWCLLABF-JTQLQIEISA-N 1 0 344.416 -1.235 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177869058 787915710 /nfs/dbraw/zinc/91/57/10/787915710.db2.gz RJIPMXGWCLLABF-SNVBAGLBSA-N 1 0 344.416 -1.235 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177869064 787915882 /nfs/dbraw/zinc/91/58/82/787915882.db2.gz RUCOOUSKIXKJPO-UHFFFAOYSA-N 1 0 337.446 -1.530 20 0 EAADRO NC(=O)NCC(=O)NCCCCCC[NH2+]CCN1C(=O)CNC1=O ZINC001177869546 787916267 /nfs/dbraw/zinc/91/62/67/787916267.db2.gz YQQVCBQNIKLYGL-UHFFFAOYSA-N 1 0 342.400 -1.527 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1cnnn1 ZINC001177877635 787916208 /nfs/dbraw/zinc/91/62/08/787916208.db2.gz FFOXVLIWHOFJAY-UHFFFAOYSA-N 1 0 340.388 -1.605 20 0 EAADRO O=C(Cn1cnnn1)NCCCCCC[NH2+]CCN1CCNC1=O ZINC001177877674 787916310 /nfs/dbraw/zinc/91/63/10/787916310.db2.gz HCUYFYXFRDDFNH-UHFFFAOYSA-N 1 0 338.416 -1.036 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCCCCNC(=O)Cn1cnnn1 ZINC001177877732 787916030 /nfs/dbraw/zinc/91/60/30/787916030.db2.gz KFOOOKKBRLKUNQ-UHFFFAOYSA-N 1 0 332.430 -1.016 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1cnnn1 ZINC001177877742 787916118 /nfs/dbraw/zinc/91/61/18/787916118.db2.gz KUXSKERKPPJWJU-UHFFFAOYSA-N 1 0 326.361 -1.866 20 0 EAADRO O=C(Cn1cnnn1)NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001177877843 787916220 /nfs/dbraw/zinc/91/62/20/787916220.db2.gz POFPURYXHHQCRI-LLVKDONJSA-N 1 0 337.384 -1.256 20 0 EAADRO O=C(Cn1cnnn1)NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001177877844 787916258 /nfs/dbraw/zinc/91/62/58/787916258.db2.gz POFPURYXHHQCRI-NSHDSACASA-N 1 0 337.384 -1.256 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCCCCNC(=O)Cn2cnnn2)nc1=O ZINC001177877848 787915779 /nfs/dbraw/zinc/91/57/79/787915779.db2.gz QBWQGGXPGRNHKG-UHFFFAOYSA-N 1 0 337.388 -1.439 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)Cn1cnnn1 ZINC001177882400 787916134 /nfs/dbraw/zinc/91/61/34/787916134.db2.gz XYFIARHUBQBPQE-UHFFFAOYSA-N 1 0 347.445 -1.512 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)Cn1cnnn1)C(=O)NC(N)=O ZINC001177882410 787916204 /nfs/dbraw/zinc/91/62/04/787916204.db2.gz YISZWLQCSOBUQI-JTQLQIEISA-N 1 0 340.388 -1.477 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)Cn1cnnn1)C(=O)NC(N)=O ZINC001177882411 787916068 /nfs/dbraw/zinc/91/60/68/787916068.db2.gz YISZWLQCSOBUQI-SNVBAGLBSA-N 1 0 340.388 -1.477 20 0 EAADRO CC(=O)N(C)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001177910512 787915762 /nfs/dbraw/zinc/91/57/62/787915762.db2.gz ACQIRUSJRGPRHF-UHFFFAOYSA-N 1 0 329.401 -1.074 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1COCCO1 ZINC001177923884 787915907 /nfs/dbraw/zinc/91/59/07/787915907.db2.gz MGLPRVDZVBGILJ-LLVKDONJSA-N 1 0 330.385 -1.137 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1COCCO1 ZINC001177923886 787916097 /nfs/dbraw/zinc/91/60/97/787916097.db2.gz MGLPRVDZVBGILJ-NSHDSACASA-N 1 0 330.385 -1.137 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCCCCNC(=O)CS(C)(=O)=O)nc1=O ZINC001177949624 787916145 /nfs/dbraw/zinc/91/61/45/787916145.db2.gz KIYBTJUTZJXNDD-UHFFFAOYSA-N 1 0 347.441 -1.081 20 0 EAADRO CS(=O)(=O)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001177950882 787915961 /nfs/dbraw/zinc/91/59/61/787915961.db2.gz VJXUQGRJUCCYIK-UHFFFAOYSA-N 1 0 336.414 -1.508 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)[C@@H]1C ZINC001177982544 787917739 /nfs/dbraw/zinc/91/77/39/787917739.db2.gz BJFRUCYZTCQRRS-SRVKXCTJSA-N 1 0 327.381 -1.278 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[C@@H]1C ZINC001177982545 787917817 /nfs/dbraw/zinc/91/78/17/787917817.db2.gz BJFRUCYZTCQRRS-TUAOUCFPSA-N 1 0 327.381 -1.278 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001177983063 787917104 /nfs/dbraw/zinc/91/71/04/787917104.db2.gz KYSRHYSLRDLXEO-SRVKXCTJSA-N 1 0 328.413 -1.195 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001177983064 787917008 /nfs/dbraw/zinc/91/70/08/787917008.db2.gz KYSRHYSLRDLXEO-WOPDTQHZSA-N 1 0 328.413 -1.195 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@@H]1C ZINC001177983338 787917401 /nfs/dbraw/zinc/91/74/01/787917401.db2.gz PGAWZCLDVYOEHM-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO COCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001177986994 787917869 /nfs/dbraw/zinc/91/78/69/787917869.db2.gz RVMIXPYMHKIZCB-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO [NH3+]CCN(CCNC(=O)Cc1csc(NC=O)n1)N(O)N=O ZINC001178036955 787917601 /nfs/dbraw/zinc/91/76/01/787917601.db2.gz MNJNDPAXNGCDQY-UHFFFAOYSA-N 1 0 331.358 -1.082 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001178041828 787917703 /nfs/dbraw/zinc/91/77/03/787917703.db2.gz LHGDWTPDTFISEV-QXEWZRGKSA-N 1 0 327.385 -1.454 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001178041829 787916981 /nfs/dbraw/zinc/91/69/81/787916981.db2.gz LHGDWTPDTFISEV-YWVKMMECSA-N 1 0 327.385 -1.454 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)[C@@H]1C ZINC001178042043 787917779 /nfs/dbraw/zinc/91/77/79/787917779.db2.gz QWYBUSFAGSBXQR-UBHSHLNASA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)[C@@H]1C ZINC001178042044 787917186 /nfs/dbraw/zinc/91/71/86/787917186.db2.gz QWYBUSFAGSBXQR-YUTCNCBUSA-N 1 0 340.424 -1.146 20 0 EAADRO CCC(=O)NCC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178050360 787916889 /nfs/dbraw/zinc/91/68/89/787916889.db2.gz QJKYKLYQFRCJKJ-UHFFFAOYSA-N 1 0 329.401 -1.026 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2=COCCO2)[C@H]1C ZINC001178055351 787916998 /nfs/dbraw/zinc/91/69/98/787916998.db2.gz XSDKQSSEXISJDW-UWVGGRQHSA-N 1 0 326.353 -1.091 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1C ZINC001178059350 787916802 /nfs/dbraw/zinc/91/68/02/787916802.db2.gz VLPBSMLDHWULKY-JQWIXIFHSA-N 1 0 335.364 -1.032 20 0 EAADRO CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178062257 787917363 /nfs/dbraw/zinc/91/73/63/787917363.db2.gz MCKQMYPIQRCUQM-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H]1C)C(=O)NC(N)=O ZINC001178062408 787917148 /nfs/dbraw/zinc/91/71/48/787917148.db2.gz OSULZMOWCTVTEB-CIUDSAMLSA-N 1 0 336.352 -1.042 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H]1C)C(=O)NC(N)=O ZINC001178062411 787917797 /nfs/dbraw/zinc/91/77/97/787917797.db2.gz OSULZMOWCTVTEB-VGMNWLOBSA-N 1 0 336.352 -1.042 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H]1C ZINC001178062443 787917277 /nfs/dbraw/zinc/91/72/77/787917277.db2.gz PNEAGWZQECYYIE-IUCAKERBSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001178062529 787916920 /nfs/dbraw/zinc/91/69/20/787916920.db2.gz REMSPQOIAPORHQ-UWVGGRQHSA-N 1 0 343.409 -1.076 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1C ZINC001178080464 787917849 /nfs/dbraw/zinc/91/78/49/787917849.db2.gz FUYMAYQYTYUAQD-QXEWZRGKSA-N 1 0 327.385 -1.454 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1C ZINC001178080465 787917024 /nfs/dbraw/zinc/91/70/24/787917024.db2.gz FUYMAYQYTYUAQD-YWVKMMECSA-N 1 0 327.385 -1.454 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178080612 787917225 /nfs/dbraw/zinc/91/72/25/787917225.db2.gz KOPQZWWJBSKKPH-NHCYSSNCSA-N 1 0 339.396 -1.358 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178080613 787917862 /nfs/dbraw/zinc/91/78/62/787917862.db2.gz KOPQZWWJBSKKPH-SCVCMEIPSA-N 1 0 339.396 -1.358 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1C ZINC001178080655 787917572 /nfs/dbraw/zinc/91/75/72/787917572.db2.gz LZWHDCCFLYZGJP-NHCYSSNCSA-N 1 0 341.412 -1.064 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1C ZINC001178080656 787917840 /nfs/dbraw/zinc/91/78/40/787917840.db2.gz LZWHDCCFLYZGJP-SCVCMEIPSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001178080729 787916778 /nfs/dbraw/zinc/91/67/78/787916778.db2.gz OIKWMWGCKBZYSG-DYEKYZERSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001178080730 787917256 /nfs/dbraw/zinc/91/72/56/787917256.db2.gz OIKWMWGCKBZYSG-OBJOEFQTSA-N 1 0 340.424 -1.051 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001178080976 787917041 /nfs/dbraw/zinc/91/70/41/787917041.db2.gz XZBRWKAWRRVVCS-GVXVVHGQSA-N 1 0 348.469 -1.019 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001178080977 787917475 /nfs/dbraw/zinc/91/74/75/787917475.db2.gz XZBRWKAWRRVVCS-MDZLAQPJSA-N 1 0 348.469 -1.019 20 0 EAADRO NC(=O)CC(=O)NCCCCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001178084843 787916723 /nfs/dbraw/zinc/91/67/23/787916723.db2.gz LIUXQQZSKVKCGE-UHFFFAOYSA-N 1 0 341.412 -1.914 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2ccon2)CCN1C(=O)Cn1cnnn1 ZINC001178084918 787917311 /nfs/dbraw/zinc/91/73/11/787917311.db2.gz ABUZYDBZTQKGJF-UWVGGRQHSA-N 1 0 334.340 -1.121 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C ZINC001178084999 787917294 /nfs/dbraw/zinc/91/72/94/787917294.db2.gz CXTFYBJPRPRXJU-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)CC(N)=O ZINC001178085068 787916973 /nfs/dbraw/zinc/91/69/73/787916973.db2.gz MZDLOEMNDJYFRJ-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)CC(N)=O ZINC001178085069 787917749 /nfs/dbraw/zinc/91/77/49/787917749.db2.gz MZDLOEMNDJYFRJ-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CC(N)=O ZINC001178085153 787917204 /nfs/dbraw/zinc/91/72/04/787917204.db2.gz OXTZTMCQQHXCFE-UHFFFAOYSA-N 1 0 329.401 -1.026 20 0 EAADRO NC(=O)CC(=O)NCCCCCC[NH2+]CCN1C(=O)CNC1=O ZINC001178085763 787917141 /nfs/dbraw/zinc/91/71/41/787917141.db2.gz YNNAGUHYPGRCFV-UHFFFAOYSA-N 1 0 327.385 -1.320 20 0 EAADRO NC(=O)CC(=O)NCCCCCC[NH2+]CC(=O)N1CCOCC1 ZINC001178085780 787917129 /nfs/dbraw/zinc/91/71/29/787917129.db2.gz ZLWVHNFICAJUII-UHFFFAOYSA-N 1 0 328.413 -1.013 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCCC1=O ZINC001178086136 787917058 /nfs/dbraw/zinc/91/70/58/787917058.db2.gz QHGXNCFOXKLUEL-UWVGGRQHSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)Cn1cnnn1 ZINC001178086291 787917591 /nfs/dbraw/zinc/91/75/91/787917591.db2.gz SNFKWPDQUQPPAT-QWRGUYRKSA-N 1 0 330.414 -1.313 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001178086326 787917461 /nfs/dbraw/zinc/91/74/61/787917461.db2.gz UAOAPUMEPHPKPZ-GUBZILKMSA-N 1 0 338.372 -1.904 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001178086336 787917209 /nfs/dbraw/zinc/91/72/09/787917209.db2.gz UAOAPUMEPHPKPZ-UTLUCORTSA-N 1 0 338.372 -1.904 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)Cn1cnnn1 ZINC001178086338 787917904 /nfs/dbraw/zinc/91/79/04/787917904.db2.gz UBJVYWJIXFMMSY-AVGNSLFASA-N 1 0 334.384 -1.490 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)Cn1cnnn1 ZINC001178086398 787916901 /nfs/dbraw/zinc/91/69/01/787916901.db2.gz UBJVYWJIXFMMSY-XQQFMLRXSA-N 1 0 334.384 -1.490 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C)CS(C)(=O)=O ZINC001178086602 787919104 /nfs/dbraw/zinc/91/91/04/787919104.db2.gz XSCLEAITPQLABD-SRVKXCTJSA-N 1 0 344.441 -1.067 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C)CS(C)(=O)=O ZINC001178086603 787918491 /nfs/dbraw/zinc/91/84/91/787918491.db2.gz XSCLEAITPQLABD-WOPDTQHZSA-N 1 0 344.441 -1.067 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1cnnn1 ZINC001178086622 787918600 /nfs/dbraw/zinc/91/86/00/787918600.db2.gz YLZIOYUIPVCSOD-UWVGGRQHSA-N 1 0 331.402 -2.199 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001178086641 787919129 /nfs/dbraw/zinc/91/91/29/787919129.db2.gz YVYNAYUWJKRPBN-QWRGUYRKSA-N 1 0 345.429 -1.809 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CCOCC2)CCN1C(=O)CNC(N)=O ZINC001178087919 787918477 /nfs/dbraw/zinc/91/84/77/787918477.db2.gz DUXSMHKXQXNPQQ-JQWIXIFHSA-N 1 0 341.412 -1.471 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCN1C(=O)CNC(N)=O ZINC001178088228 787918976 /nfs/dbraw/zinc/91/89/76/787918976.db2.gz MWRYQSHVUNKHSB-YUMQZZPRSA-N 1 0 339.318 -1.088 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178089081 787919158 /nfs/dbraw/zinc/91/91/58/787919158.db2.gz ZFERGNMLXVWFQB-GUBZILKMSA-N 1 0 342.400 -1.532 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178089084 787918806 /nfs/dbraw/zinc/91/88/06/787918806.db2.gz ZFERGNMLXVWFQB-UTLUCORTSA-N 1 0 342.400 -1.532 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178092991 787918658 /nfs/dbraw/zinc/91/86/58/787918658.db2.gz ACJXNQVPABLUJK-JQWIXIFHSA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)CNC(N)=O ZINC001178093012 787919046 /nfs/dbraw/zinc/91/90/46/787919046.db2.gz ATMSVFMEWKEKID-UWVGGRQHSA-N 1 0 335.430 -1.875 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)CCN1C(=O)CNC(N)=O ZINC001178093016 787919208 /nfs/dbraw/zinc/91/92/08/787919208.db2.gz BEIHJNFGDLPUKF-ONGXEEELSA-N 1 0 347.379 -1.230 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093057 787918415 /nfs/dbraw/zinc/91/84/15/787918415.db2.gz CSLCRMFMQVOSCV-QWRGUYRKSA-N 1 0 329.401 -1.614 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093067 787919286 /nfs/dbraw/zinc/91/92/86/787919286.db2.gz CWTCMYRZEPQWSQ-IUCAKERBSA-N 1 0 328.373 -1.921 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093112 787919164 /nfs/dbraw/zinc/91/91/64/787919164.db2.gz DKUXCMPXISVHCA-QWRGUYRKSA-N 1 0 349.457 -1.437 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)CNC(N)=O ZINC001178093114 787918498 /nfs/dbraw/zinc/91/84/98/787918498.db2.gz DOKYYEIZXSCDLE-QWRGUYRKSA-N 1 0 327.385 -1.908 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)CCN1C(=O)CNC(N)=O ZINC001178093142 787918758 /nfs/dbraw/zinc/91/87/58/787918758.db2.gz DZWBXHZEYUCYOS-WPRPVWTQSA-N 1 0 340.384 -1.778 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)CNC(N)=O ZINC001178093318 787918607 /nfs/dbraw/zinc/91/86/07/787918607.db2.gz GPHHBLSJTCNUOX-QWRGUYRKSA-N 1 0 347.441 -1.731 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093349 787918989 /nfs/dbraw/zinc/91/89/89/787918989.db2.gz IAZVLLPRYBGTRX-SRVKXCTJSA-N 1 0 332.401 -1.742 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093350 787918836 /nfs/dbraw/zinc/91/88/36/787918836.db2.gz IAZVLLPRYBGTRX-TUAOUCFPSA-N 1 0 332.401 -1.742 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NCc2cccnc2)CCN1C(=O)CNC(N)=O ZINC001178093392 787918328 /nfs/dbraw/zinc/91/83/28/787918328.db2.gz JQOFIAZUMJGLNX-AAEUAGOBSA-N 1 0 348.407 -1.055 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093578 787918573 /nfs/dbraw/zinc/91/85/73/787918573.db2.gz KMPDJTCJSUNIFK-QWRGUYRKSA-N 1 0 329.401 -1.614 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093631 787919168 /nfs/dbraw/zinc/91/91/68/787919168.db2.gz MTLDWDAZYFOAGT-QWRGUYRKSA-N 1 0 328.417 -1.059 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093785 787919151 /nfs/dbraw/zinc/91/91/51/787919151.db2.gz OTOZKDUILWERSC-UWVGGRQHSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CCN1C(=O)CNC(N)=O ZINC001178093802 787918556 /nfs/dbraw/zinc/91/85/56/787918556.db2.gz PLBISSLUEMWFAL-SRVKXCTJSA-N 1 0 341.412 -1.783 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2nncs2)CCN1C(=O)CNC(N)=O ZINC001178093888 787918541 /nfs/dbraw/zinc/91/85/41/787918541.db2.gz SEIORTKHXCBAIG-YUMQZZPRSA-N 1 0 341.397 -1.276 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)CCN1C(=O)CNC(N)=O ZINC001178093916 787918341 /nfs/dbraw/zinc/91/83/41/787918341.db2.gz SSDLGQRBNSUHCS-SRVKXCTJSA-N 1 0 341.412 -1.471 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)CCN1C(=O)CNC(N)=O ZINC001178093917 787919213 /nfs/dbraw/zinc/91/92/13/787919213.db2.gz SSDLGQRBNSUHCS-TUAOUCFPSA-N 1 0 341.412 -1.471 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)CNC(N)=O ZINC001178093933 787919203 /nfs/dbraw/zinc/91/92/03/787919203.db2.gz UKGTWHWWTLTRAV-UWVGGRQHSA-N 1 0 335.368 -1.338 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)CNC(N)=O ZINC001178093951 787919251 /nfs/dbraw/zinc/91/92/51/787919251.db2.gz VMBWWXLJOHKUKN-UWVGGRQHSA-N 1 0 340.384 -2.808 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CCN1C(=O)CNC(N)=O ZINC001178094047 787919264 /nfs/dbraw/zinc/91/92/64/787919264.db2.gz ZUVLURLSASJJPQ-AXFHLTTASA-N 1 0 332.426 -1.332 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)CNC(N)=O ZINC001178094048 787919061 /nfs/dbraw/zinc/91/90/61/787919061.db2.gz ZUVLURLSASJJPQ-DCAQKATOSA-N 1 0 332.426 -1.332 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CNC(N)=O ZINC001178096054 787917324 /nfs/dbraw/zinc/91/73/24/787917324.db2.gz AAJLLCWQGAOBEI-IUCAKERBSA-N 1 0 326.357 -2.215 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)CS(C)(=O)=O ZINC001178096059 787917121 /nfs/dbraw/zinc/91/71/21/787917121.db2.gz AEMZPORBLYDSIJ-DCAQKATOSA-N 1 0 334.442 -1.086 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)CS(C)(=O)=O ZINC001178096060 787917394 /nfs/dbraw/zinc/91/73/94/787917394.db2.gz AEMZPORBLYDSIJ-VWYCJHECSA-N 1 0 334.442 -1.086 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)CCN1C(=O)CNC(N)=O ZINC001178096452 787917891 /nfs/dbraw/zinc/91/78/91/787917891.db2.gz IZNBIVIVYFVSDS-SRVKXCTJSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)CCN1C(=O)CNC(N)=O ZINC001178096454 787917554 /nfs/dbraw/zinc/91/75/54/787917554.db2.gz IZNBIVIVYFVSDS-WOPDTQHZSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)CCN1C(=O)CNC(N)=O ZINC001178096607 787917678 /nfs/dbraw/zinc/91/76/78/787917678.db2.gz KPTRUFNTRRHQDZ-SRVKXCTJSA-N 1 0 341.412 -1.614 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)CCN1C(=O)CNC(N)=O ZINC001178096609 787917195 /nfs/dbraw/zinc/91/71/95/787917195.db2.gz KPTRUFNTRRHQDZ-TUAOUCFPSA-N 1 0 341.412 -1.614 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)CNC(N)=O ZINC001178096830 787917914 /nfs/dbraw/zinc/91/79/14/787917914.db2.gz OGHMSULXQFUABS-UWVGGRQHSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C)C(=O)NC(N)=O ZINC001178096844 787917239 /nfs/dbraw/zinc/91/72/39/787917239.db2.gz OXWONBDWNYEQHJ-DCAQKATOSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C)C(=O)NC(N)=O ZINC001178096845 787917267 /nfs/dbraw/zinc/91/72/67/787917267.db2.gz OXWONBDWNYEQHJ-VWYCJHECSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1=O ZINC001178096956 787917018 /nfs/dbraw/zinc/91/70/18/787917018.db2.gz PEHBEYSZPSIMND-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178096972 787917423 /nfs/dbraw/zinc/91/74/23/787917423.db2.gz PVUFEGCBGGBHRY-CIUDSAMLSA-N 1 0 328.373 -1.922 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178096973 787917825 /nfs/dbraw/zinc/91/78/25/787917825.db2.gz PVUFEGCBGGBHRY-VGMNWLOBSA-N 1 0 328.373 -1.922 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178097014 787917081 /nfs/dbraw/zinc/91/70/81/787917081.db2.gz RCUPYYIMHCGDQD-UWVGGRQHSA-N 1 0 335.430 -1.827 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CNC(N)=O ZINC001178097067 787917287 /nfs/dbraw/zinc/91/72/87/787917287.db2.gz SLNPMNYKOBIDAZ-UWVGGRQHSA-N 1 0 325.369 -1.617 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178097088 787917502 /nfs/dbraw/zinc/91/75/02/787917502.db2.gz TZDZCUSSYSTACX-SRVKXCTJSA-N 1 0 343.428 -1.225 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178097089 787917247 /nfs/dbraw/zinc/91/72/47/787917247.db2.gz TZDZCUSSYSTACX-WOPDTQHZSA-N 1 0 343.428 -1.225 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)CNC(N)=O ZINC001178097163 787917137 /nfs/dbraw/zinc/91/71/37/787917137.db2.gz XLVAVGBWSQTHBE-QWRGUYRKSA-N 1 0 349.457 -1.485 20 0 EAADRO CN1CCO[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001178107666 787917218 /nfs/dbraw/zinc/91/72/18/787917218.db2.gz VMYJPVLFTDWMKH-GFCCVEGCSA-N 1 0 343.428 -1.222 20 0 EAADRO CN1CCO[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001178107667 787917070 /nfs/dbraw/zinc/91/70/70/787917070.db2.gz VMYJPVLFTDWMKH-LBPRGKRZSA-N 1 0 343.428 -1.222 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cncn2)[C@H]1C ZINC001178120831 787917514 /nfs/dbraw/zinc/91/75/14/787917514.db2.gz ZAKANGIPXKIJEO-QWRGUYRKSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCn1cncn1 ZINC001178139693 787919123 /nfs/dbraw/zinc/91/91/23/787919123.db2.gz MLMVTKBMDGWUSG-RYUDHWBXSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCn2cncn2)[C@H]1C)C(=O)NC(N)=O ZINC001178140205 787918430 /nfs/dbraw/zinc/91/84/30/787918430.db2.gz YLGPBCJTXVBMOD-DCAQKATOSA-N 1 0 337.384 -1.169 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2cncn2)[C@H]1C)C(=O)NC(N)=O ZINC001178140207 787918915 /nfs/dbraw/zinc/91/89/15/787918915.db2.gz YLGPBCJTXVBMOD-VWYCJHECSA-N 1 0 337.384 -1.169 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@@H]1COCCO1 ZINC001178143179 787918396 /nfs/dbraw/zinc/91/83/96/787918396.db2.gz BHWGXKVLOQZNSM-AVGNSLFASA-N 1 0 349.453 -1.128 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1COCCO1 ZINC001178143182 787919135 /nfs/dbraw/zinc/91/91/35/787919135.db2.gz BHWGXKVLOQZNSM-RWMBFGLXSA-N 1 0 349.453 -1.128 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)[C@H]1C ZINC001178143953 787918303 /nfs/dbraw/zinc/91/83/03/787918303.db2.gz OAIVXMRMWCXORM-SDDRHHMPSA-N 1 0 342.396 -1.174 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H]1C ZINC001178143957 787919257 /nfs/dbraw/zinc/91/92/57/787919257.db2.gz OAIVXMRMWCXORM-SRVKXCTJSA-N 1 0 342.396 -1.174 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1COCCO1 ZINC001178143958 787919186 /nfs/dbraw/zinc/91/91/86/787919186.db2.gz OCRZJIGODBRVML-SDDRHHMPSA-N 1 0 335.426 -1.470 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1COCCO1 ZINC001178143963 787918822 /nfs/dbraw/zinc/91/88/22/787918822.db2.gz OCRZJIGODBRVML-SRVKXCTJSA-N 1 0 335.426 -1.470 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H]1C ZINC001178144442 787918740 /nfs/dbraw/zinc/91/87/40/787918740.db2.gz VDBYFTFNDPITGH-AVGNSLFASA-N 1 0 349.453 -1.080 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)[C@H]1C ZINC001178144446 787919282 /nfs/dbraw/zinc/91/92/82/787919282.db2.gz VDBYFTFNDPITGH-RWMBFGLXSA-N 1 0 349.453 -1.080 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H]1C ZINC001178144496 787919140 /nfs/dbraw/zinc/91/91/40/787919140.db2.gz VZBANDGTXAWNRV-DCAQKATOSA-N 1 0 328.369 -1.564 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)[C@H]1C ZINC001178144501 787919172 /nfs/dbraw/zinc/91/91/72/787919172.db2.gz VZBANDGTXAWNRV-GARJFASQSA-N 1 0 328.369 -1.564 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001178160704 787918681 /nfs/dbraw/zinc/91/86/81/787918681.db2.gz OXFXFMNQDMEHBM-JQWIXIFHSA-N 1 0 341.412 -1.111 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001178163044 787918588 /nfs/dbraw/zinc/91/85/88/787918588.db2.gz OOMWNOQFBVDVQG-AAEUAGOBSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001178163186 787919023 /nfs/dbraw/zinc/91/90/23/787919023.db2.gz PKIIYUXNXBHJIP-JSGCOSHPSA-N 1 0 340.424 -1.098 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001178163209 787918466 /nfs/dbraw/zinc/91/84/66/787918466.db2.gz QIKMIGDUPVGACD-ONGXEEELSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001178163252 787918928 /nfs/dbraw/zinc/91/89/28/787918928.db2.gz SEGILRZOKLQHFB-NHCYSSNCSA-N 1 0 341.412 -1.112 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001178163253 787918700 /nfs/dbraw/zinc/91/87/00/787918700.db2.gz SEGILRZOKLQHFB-SCVCMEIPSA-N 1 0 341.412 -1.112 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001178163470 787918903 /nfs/dbraw/zinc/91/89/03/787918903.db2.gz TZJHMRCMXKGPTB-AAEUAGOBSA-N 1 0 348.469 -1.065 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178163555 787919248 /nfs/dbraw/zinc/91/92/48/787919248.db2.gz WQJSMFPOBPDNGJ-JQWIXIFHSA-N 1 0 339.396 -1.405 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178163768 787918891 /nfs/dbraw/zinc/91/88/91/787918891.db2.gz ZKIGWSVVIYHRDX-QXEWZRGKSA-N 1 0 327.385 -1.373 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178163772 787918629 /nfs/dbraw/zinc/91/86/29/787918629.db2.gz ZKIGWSVVIYHRDX-YWVKMMECSA-N 1 0 327.385 -1.373 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178163782 787918368 /nfs/dbraw/zinc/91/83/68/787918368.db2.gz ZOLNZYPCJSQJRE-JQWIXIFHSA-N 1 0 334.442 -1.407 20 0 EAADRO CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178179165 787919234 /nfs/dbraw/zinc/91/92/34/787919234.db2.gz MVAJVAHBFMKSAO-AVGNSLFASA-N 1 0 340.424 -1.051 20 0 EAADRO CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178179167 787919111 /nfs/dbraw/zinc/91/91/11/787919111.db2.gz MVAJVAHBFMKSAO-XQQFMLRXSA-N 1 0 340.424 -1.051 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001178180506 787919227 /nfs/dbraw/zinc/91/92/27/787919227.db2.gz WIINMOHOPWARSC-LLVKDONJSA-N 1 0 341.412 -1.026 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001178180507 787918644 /nfs/dbraw/zinc/91/86/44/787918644.db2.gz WIINMOHOPWARSC-NSHDSACASA-N 1 0 341.412 -1.026 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C)C(=O)NC(N)=O ZINC001178192227 787918861 /nfs/dbraw/zinc/91/88/61/787918861.db2.gz AETFCRDNUGSKGY-QXEWZRGKSA-N 1 0 339.396 -1.325 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C)C(=O)NC(N)=O ZINC001178192228 787918403 /nfs/dbraw/zinc/91/84/03/787918403.db2.gz AETFCRDNUGSKGY-YWVKMMECSA-N 1 0 339.396 -1.325 20 0 EAADRO COCCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178192612 787918997 /nfs/dbraw/zinc/91/89/97/787918997.db2.gz TVHKWLGJYZCKJY-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C ZINC001178202521 787920153 /nfs/dbraw/zinc/92/01/53/787920153.db2.gz HNKQJLZPMKIRAP-ONGXEEELSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001178202799 787920315 /nfs/dbraw/zinc/92/03/15/787920315.db2.gz LPKOZHHASJUWBA-WPRPVWTQSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001178202853 787920624 /nfs/dbraw/zinc/92/06/24/787920624.db2.gz OJDKJKSNJYBDNG-ONGXEEELSA-N 1 0 336.396 -1.286 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001178202887 787920221 /nfs/dbraw/zinc/92/02/21/787920221.db2.gz PYYLEYJAGUYRJU-DLOVCJGASA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001178202888 787920115 /nfs/dbraw/zinc/92/01/15/787920115.db2.gz PYYLEYJAGUYRJU-ZMLRMANQSA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001178203266 787919705 /nfs/dbraw/zinc/91/97/05/787919705.db2.gz WTSRCJJAZSTJRL-JQWIXIFHSA-N 1 0 346.453 -1.359 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001178210804 787920405 /nfs/dbraw/zinc/92/04/05/787920405.db2.gz AHAUKLMLGRADOD-GUBZILKMSA-N 1 0 326.353 -1.273 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001178210805 787920441 /nfs/dbraw/zinc/92/04/41/787920441.db2.gz AHAUKLMLGRADOD-LPEHRKFASA-N 1 0 326.353 -1.273 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001178211162 787920414 /nfs/dbraw/zinc/92/04/14/787920414.db2.gz RXMBIFWDBHPXSF-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178211247 787920518 /nfs/dbraw/zinc/92/05/18/787920518.db2.gz WQXPBDBKGFOBOM-IUCAKERBSA-N 1 0 329.357 -1.623 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178211248 787920665 /nfs/dbraw/zinc/92/06/65/787920665.db2.gz WRNYYCOIPWSOFX-UWVGGRQHSA-N 1 0 343.384 -1.233 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001178211304 787920505 /nfs/dbraw/zinc/92/05/05/787920505.db2.gz ZIKPEEAXYYGMDN-IUCAKERBSA-N 1 0 326.357 -1.457 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178216188 787920199 /nfs/dbraw/zinc/92/01/99/787920199.db2.gz JQYZCUYNVUQKOH-AVGNSLFASA-N 1 0 347.412 -1.055 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178216191 787919719 /nfs/dbraw/zinc/91/97/19/787919719.db2.gz JQYZCUYNVUQKOH-XQQFMLRXSA-N 1 0 347.412 -1.055 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001178216196 787920373 /nfs/dbraw/zinc/92/03/73/787920373.db2.gz JXQVRJJECNAPOW-QWRGUYRKSA-N 1 0 327.385 -1.053 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178216528 787920748 /nfs/dbraw/zinc/92/07/48/787920748.db2.gz MGCNGEDYDHVNIS-CIUDSAMLSA-N 1 0 329.357 -1.495 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178216533 787920206 /nfs/dbraw/zinc/92/02/06/787920206.db2.gz MGCNGEDYDHVNIS-VGMNWLOBSA-N 1 0 329.357 -1.495 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178217082 787920609 /nfs/dbraw/zinc/92/06/09/787920609.db2.gz SYUNMHJUPYJLGM-UWVGGRQHSA-N 1 0 341.368 -1.527 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178217145 787920431 /nfs/dbraw/zinc/92/04/31/787920431.db2.gz VCQBGQXCYJPAIH-GUBZILKMSA-N 1 0 343.384 -1.235 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178217152 787919774 /nfs/dbraw/zinc/91/97/74/787919774.db2.gz VCQBGQXCYJPAIH-UTLUCORTSA-N 1 0 343.384 -1.235 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178217260 787919034 /nfs/dbraw/zinc/91/90/34/787919034.db2.gz WURWSINZTMMLKC-UWVGGRQHSA-N 1 0 336.414 -1.529 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178233978 787920676 /nfs/dbraw/zinc/92/06/76/787920676.db2.gz FCSMQAHEFKDFIC-AAEUAGOBSA-N 1 0 349.453 -1.237 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178234014 787920572 /nfs/dbraw/zinc/92/05/72/787920572.db2.gz FVDCZYDARXXZDW-IUCAKERBSA-N 1 0 334.398 -1.934 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C)C(=O)NC(N)=O ZINC001178234043 787920185 /nfs/dbraw/zinc/92/01/85/787920185.db2.gz HHLVBFZZQYJWCV-CIUDSAMLSA-N 1 0 334.398 -1.807 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C)C(=O)NC(N)=O ZINC001178234044 787920271 /nfs/dbraw/zinc/92/02/71/787920271.db2.gz HHLVBFZZQYJWCV-VGMNWLOBSA-N 1 0 334.398 -1.807 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CS(C)(=O)=O ZINC001178234180 787919876 /nfs/dbraw/zinc/91/98/76/787919876.db2.gz INKCSIBLZIEIQZ-UWVGGRQHSA-N 1 0 341.455 -1.841 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178234257 787919732 /nfs/dbraw/zinc/91/97/32/787919732.db2.gz MBWZEKJRHHXZIM-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)CS(C)(=O)=O ZINC001178234334 787919998 /nfs/dbraw/zinc/91/99/98/787919998.db2.gz OEVHFPRDPRQYJA-UWVGGRQHSA-N 1 0 326.440 -1.345 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178234552 787920301 /nfs/dbraw/zinc/92/03/01/787920301.db2.gz TYGAIVAPOMHGST-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)CS(C)(=O)=O ZINC001178234599 787920603 /nfs/dbraw/zinc/92/06/03/787920603.db2.gz VXSBCSGZMDLVKA-AVGNSLFASA-N 1 0 344.437 -1.132 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)CS(C)(=O)=O ZINC001178234600 787920580 /nfs/dbraw/zinc/92/05/80/787920580.db2.gz VXSBCSGZMDLVKA-XQQFMLRXSA-N 1 0 344.437 -1.132 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178234850 787920586 /nfs/dbraw/zinc/92/05/86/787920586.db2.gz YDIWHPBZGONYHN-UWVGGRQHSA-N 1 0 348.425 -1.544 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178234901 787920344 /nfs/dbraw/zinc/92/03/44/787920344.db2.gz ZHSDYDUATSWULG-GUBZILKMSA-N 1 0 348.425 -1.546 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178234902 787919755 /nfs/dbraw/zinc/91/97/55/787919755.db2.gz ZHSDYDUATSWULG-UTLUCORTSA-N 1 0 348.425 -1.546 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178239527 787920282 /nfs/dbraw/zinc/92/02/82/787920282.db2.gz MLERBNJIAUQTAA-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CN1CCOCC1 ZINC001178241101 787920102 /nfs/dbraw/zinc/92/01/02/787920102.db2.gz ZFBWVYWYQQMJDK-UHFFFAOYSA-N 1 0 343.428 -1.220 20 0 EAADRO CN1CCOC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178249084 787920742 /nfs/dbraw/zinc/92/07/42/787920742.db2.gz MELMINRAARWKTK-GFCCVEGCSA-N 1 0 343.428 -1.222 20 0 EAADRO CN1CCOC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178249085 787920709 /nfs/dbraw/zinc/92/07/09/787920709.db2.gz MELMINRAARWKTK-LBPRGKRZSA-N 1 0 343.428 -1.222 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CN1CN=NC1=O ZINC001178266637 787920599 /nfs/dbraw/zinc/92/05/99/787920599.db2.gz IZUVALQWOAKCCT-UHFFFAOYSA-N 1 0 341.372 -1.555 20 0 EAADRO Cn1nnnc1C[NH2+]CCCCCCNC(=O)CN1CN=NC1=O ZINC001178266715 787919823 /nfs/dbraw/zinc/91/98/23/787919823.db2.gz LHFRITJVZPOUCX-UHFFFAOYSA-N 1 0 337.388 -1.026 20 0 EAADRO CCNC(=O)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178267134 787919929 /nfs/dbraw/zinc/91/99/29/787919929.db2.gz YZMLRBXEFSXJEE-UHFFFAOYSA-N 1 0 329.401 -1.026 20 0 EAADRO CCCOCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178272015 787919789 /nfs/dbraw/zinc/91/97/89/787919789.db2.gz ZMTMTNINUNFBBB-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178276013 787920560 /nfs/dbraw/zinc/92/05/60/787920560.db2.gz YEIWQRKVQCPXBJ-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CC(C)OCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178287448 787919807 /nfs/dbraw/zinc/91/98/07/787919807.db2.gz SCUHQGSJXDSSFG-STQMWFEESA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)CC(=O)NCCCCCC[NH2+]CCN1C(=O)CNC1=O ZINC001178289946 787920595 /nfs/dbraw/zinc/92/05/95/787920595.db2.gz GMRFPRVOXPALLA-UHFFFAOYSA-N 1 0 341.412 -1.060 20 0 EAADRO CNC(=O)CC(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O ZINC001178290001 787919985 /nfs/dbraw/zinc/91/99/85/787919985.db2.gz JCLQYJNLLCJHIS-UHFFFAOYSA-N 1 0 336.458 -1.062 20 0 EAADRO CNC(=O)CC(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001178290030 787920450 /nfs/dbraw/zinc/92/04/50/787920450.db2.gz KEDGMYSWNFCUKM-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CNC(=O)CC(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001178290031 787920261 /nfs/dbraw/zinc/92/02/61/787920261.db2.gz KEDGMYSWNFCUKM-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1C ZINC001178291106 787920494 /nfs/dbraw/zinc/92/04/94/787920494.db2.gz ANECTIYEALIOOT-JQWIXIFHSA-N 1 0 336.396 -1.003 20 0 EAADRO CNC(=O)CC(=O)NCCCCCC[NH2+]CC(=O)NC(=O)NC ZINC001178294623 787920228 /nfs/dbraw/zinc/92/02/28/787920228.db2.gz QXVWPGNBMVILTI-UHFFFAOYSA-N 1 0 329.401 -1.156 20 0 EAADRO CO[C@H](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178296672 787920550 /nfs/dbraw/zinc/92/05/50/787920550.db2.gz LINOWPMKAYHWFT-AGIUHOORSA-N 1 0 340.424 -1.051 20 0 EAADRO CO[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178296673 787920239 /nfs/dbraw/zinc/92/02/39/787920239.db2.gz LINOWPMKAYHWFT-AVGNSLFASA-N 1 0 340.424 -1.051 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178303845 787920738 /nfs/dbraw/zinc/92/07/38/787920738.db2.gz LOSKJWRBOIDPAO-VIFPVBQESA-N 1 0 330.389 -1.496 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCCCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001178304019 787919968 /nfs/dbraw/zinc/91/99/68/787919968.db2.gz PTMGBRWEZJOZGB-JTQLQIEISA-N 1 0 341.416 -1.069 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H](C)NC(N)=O ZINC001178304262 787920693 /nfs/dbraw/zinc/92/06/93/787920693.db2.gz ZUVZUNGIPPUWKA-JTQLQIEISA-N 1 0 344.416 -1.235 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001178309688 787922014 /nfs/dbraw/zinc/92/20/14/787922014.db2.gz GSLYLRZOILNXAZ-UWVGGRQHSA-N 1 0 344.416 -1.107 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)[C@H](C)NC(N)=O)C(=O)NC(N)=O ZINC001178309689 787921745 /nfs/dbraw/zinc/92/17/45/787921745.db2.gz GSLYLRZOILNXAZ-ZJUUUORDSA-N 1 0 344.416 -1.107 20 0 EAADRO CC(=O)N1CC(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001178322078 787921664 /nfs/dbraw/zinc/92/16/64/787921664.db2.gz AACKXJRCISTOEY-UHFFFAOYSA-N 1 0 341.412 -1.074 20 0 EAADRO CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178332332 787920030 /nfs/dbraw/zinc/92/00/30/787920030.db2.gz OOKGVXBDWXLYMY-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178335936 787920077 /nfs/dbraw/zinc/92/00/77/787920077.db2.gz MYRUZFDWSPZODJ-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178336010 787920355 /nfs/dbraw/zinc/92/03/55/787920355.db2.gz PBDHOTGABVSIDT-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO COC[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178341943 787919841 /nfs/dbraw/zinc/91/98/41/787919841.db2.gz OXCWKVGQYMATEI-AGIUHOORSA-N 1 0 340.424 -1.194 20 0 EAADRO COC[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178341944 787919909 /nfs/dbraw/zinc/91/99/09/787919909.db2.gz OXCWKVGQYMATEI-AVGNSLFASA-N 1 0 340.424 -1.194 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178345438 787919861 /nfs/dbraw/zinc/91/98/61/787919861.db2.gz ANMMWLUHFDXNIM-FPMFFAJLSA-N 1 0 340.424 -1.003 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001178346506 787921894 /nfs/dbraw/zinc/92/18/94/787921894.db2.gz MSLNDDDDKQINNR-GARJFASQSA-N 1 0 332.426 -1.607 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178346575 787921756 /nfs/dbraw/zinc/92/17/56/787921756.db2.gz PQXSIANSGSPZIK-VPOLOUISSA-N 1 0 339.396 -1.312 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178346576 787921901 /nfs/dbraw/zinc/92/19/01/787921901.db2.gz PQXSIANSGSPZIK-XWLWVQCSSA-N 1 0 339.396 -1.312 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178347011 787921522 /nfs/dbraw/zinc/92/15/22/787921522.db2.gz UKEDAXDTXPIQMO-RFQIPJPRSA-N 1 0 343.424 -1.132 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178347014 787921733 /nfs/dbraw/zinc/92/17/33/787921733.db2.gz UKEDAXDTXPIQMO-XDQVBPFNSA-N 1 0 343.424 -1.132 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C)C(=O)NC(N)=O ZINC001178347201 787921481 /nfs/dbraw/zinc/92/14/81/787921481.db2.gz YLBFNOOVTQAVNH-AATLWQCWSA-N 1 0 325.369 -1.573 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C)C(=O)NC(N)=O ZINC001178347202 787921767 /nfs/dbraw/zinc/92/17/67/787921767.db2.gz YLBFNOOVTQAVNH-XFWSIPNHSA-N 1 0 325.369 -1.573 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178347239 787921609 /nfs/dbraw/zinc/92/16/09/787921609.db2.gz ZVCDMOUBUPIKTR-SDDRHHMPSA-N 1 0 346.453 -1.217 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178350806 787921624 /nfs/dbraw/zinc/92/16/24/787921624.db2.gz BYEZZSNPHLQEIL-RWMBFGLXSA-N 1 0 340.424 -1.003 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178351387 787921594 /nfs/dbraw/zinc/92/15/94/787921594.db2.gz OJWWRMFNPTVRNO-GARJFASQSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001178351410 787921299 /nfs/dbraw/zinc/92/12/99/787921299.db2.gz OYBUGKOKKYERTO-SDDRHHMPSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178351520 787922102 /nfs/dbraw/zinc/92/21/02/787922102.db2.gz PMXWNNQMKSOUDX-LPEHRKFASA-N 1 0 325.369 -1.700 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178351692 787921611 /nfs/dbraw/zinc/92/16/11/787921611.db2.gz WEVKQUIPGYAAGH-RWMBFGLXSA-N 1 0 340.424 -1.003 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C ZINC001178363304 787923294 /nfs/dbraw/zinc/92/32/94/787923294.db2.gz CWLQXSTYHFHQIO-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001178363966 787922751 /nfs/dbraw/zinc/92/27/51/787922751.db2.gz ONEOMRZZDDWCLN-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178364675 787923482 /nfs/dbraw/zinc/92/34/82/787923482.db2.gz VOTHFQSJNUVPNW-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO COCCOCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001178367133 787923756 /nfs/dbraw/zinc/92/37/56/787923756.db2.gz XTOVYKJXDXDGHB-QWRGUYRKSA-N 1 0 327.385 -1.150 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCCCCNC(=O)[C@@H]2COC(=O)N2)nc1=O ZINC001178369189 787921696 /nfs/dbraw/zinc/92/16/96/787921696.db2.gz MRIQAQXANHIIED-JTQLQIEISA-N 1 0 340.384 -1.017 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCCCCNC(=O)[C@H]2COC(=O)N2)nc1=O ZINC001178369191 787921461 /nfs/dbraw/zinc/92/14/61/787921461.db2.gz MRIQAQXANHIIED-SNVBAGLBSA-N 1 0 340.384 -1.017 20 0 EAADRO Cn1nncc1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178369229 787921619 /nfs/dbraw/zinc/92/16/19/787921619.db2.gz NJTBLOYDQWDHEV-UHFFFAOYSA-N 1 0 325.373 -1.110 20 0 EAADRO COCCOCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178371013 787922032 /nfs/dbraw/zinc/92/20/32/787922032.db2.gz IGTRXCSAKBHYKD-DCAQKATOSA-N 1 0 330.385 -1.188 20 0 EAADRO COCCOCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178371014 787921672 /nfs/dbraw/zinc/92/16/72/787921672.db2.gz IGTRXCSAKBHYKD-VWYCJHECSA-N 1 0 330.385 -1.188 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)COCCOC)[C@H]1C ZINC001178371034 787921825 /nfs/dbraw/zinc/92/18/25/787921825.db2.gz JEDSWOZEFHSXFT-QWRGUYRKSA-N 1 0 330.385 -1.316 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C ZINC001178371106 787922094 /nfs/dbraw/zinc/92/20/94/787922094.db2.gz MGTUICUQKFKAMH-IUCAKERBSA-N 1 0 335.368 -1.293 20 0 EAADRO COCCOCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178371140 787921547 /nfs/dbraw/zinc/92/15/47/787921547.db2.gz NTZFEWRUEDOSIT-RYUDHWBXSA-N 1 0 337.442 -1.222 20 0 EAADRO COCCOCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178371340 787922022 /nfs/dbraw/zinc/92/20/22/787922022.db2.gz XVBDMGIIBRKMPQ-RYUDHWBXSA-N 1 0 342.396 -1.220 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1COC(=O)N1 ZINC001178372358 787921802 /nfs/dbraw/zinc/92/18/02/787921802.db2.gz MGIGLRZRTXZZKL-SECBINFHSA-N 1 0 329.357 -1.444 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1COC(=O)N1 ZINC001178372359 787921978 /nfs/dbraw/zinc/92/19/78/787921978.db2.gz MGIGLRZRTXZZKL-VIFPVBQESA-N 1 0 329.357 -1.444 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001178372715 787921973 /nfs/dbraw/zinc/92/19/73/787921973.db2.gz VPNYXTBBBVEEGN-NXEZZACHSA-N 1 0 343.384 -1.056 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001178372716 787921921 /nfs/dbraw/zinc/92/19/21/787921921.db2.gz VPNYXTBBBVEEGN-UWVGGRQHSA-N 1 0 343.384 -1.056 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001178372717 787921815 /nfs/dbraw/zinc/92/18/15/787921815.db2.gz VPNYXTBBBVEEGN-VHSXEESVSA-N 1 0 343.384 -1.056 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001178372718 787921217 /nfs/dbraw/zinc/92/12/17/787921217.db2.gz VPNYXTBBBVEEGN-ZJUUUORDSA-N 1 0 343.384 -1.056 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1COC(=O)N1 ZINC001178372884 787921984 /nfs/dbraw/zinc/92/19/84/787921984.db2.gz ZQPYUVICIOMZLK-JTQLQIEISA-N 1 0 343.384 -1.183 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1COC(=O)N1 ZINC001178372885 787921449 /nfs/dbraw/zinc/92/14/49/787921449.db2.gz ZQPYUVICIOMZLK-SNVBAGLBSA-N 1 0 343.384 -1.183 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1nccnc1N ZINC001178378782 787921312 /nfs/dbraw/zinc/92/13/12/787921312.db2.gz IJBFXZVZIGGSCC-UWVGGRQHSA-N 1 0 342.425 -1.199 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C)C(=O)NC(N)=O ZINC001178379087 787921882 /nfs/dbraw/zinc/92/18/82/787921882.db2.gz NSOUORZFXIULEW-CIUDSAMLSA-N 1 0 335.368 -1.165 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C)C(=O)NC(N)=O ZINC001178379088 787921639 /nfs/dbraw/zinc/92/16/39/787921639.db2.gz NSOUORZFXIULEW-VGMNWLOBSA-N 1 0 335.368 -1.165 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178383697 787921606 /nfs/dbraw/zinc/92/16/06/787921606.db2.gz GTHVAFXTULJLNE-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)CCN1C(=O)CC(N)=O ZINC001178383740 787921535 /nfs/dbraw/zinc/92/15/35/787921535.db2.gz ILKWJKBSBDNJFX-SRVKXCTJSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)CCN1C(=O)CC(N)=O ZINC001178383741 787921577 /nfs/dbraw/zinc/92/15/77/787921577.db2.gz ILKWJKBSBDNJFX-TUAOUCFPSA-N 1 0 326.397 -1.264 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178383902 787921370 /nfs/dbraw/zinc/92/13/70/787921370.db2.gz KXTRNGXESYLGLW-GUBZILKMSA-N 1 0 327.385 -1.325 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178383903 787921353 /nfs/dbraw/zinc/92/13/53/787921353.db2.gz KXTRNGXESYLGLW-UTLUCORTSA-N 1 0 327.385 -1.325 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178384187 787922061 /nfs/dbraw/zinc/92/20/61/787922061.db2.gz UDOVHUQDUHZEHN-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO Cn1cc(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)nn1 ZINC001178384367 787921653 /nfs/dbraw/zinc/92/16/53/787921653.db2.gz UGLNEAOSIWMGBL-UHFFFAOYSA-N 1 0 325.373 -1.110 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)CCN1C(=O)CC(N)=O ZINC001178384425 787921855 /nfs/dbraw/zinc/92/18/55/787921855.db2.gz WVMHRUKIEXVEDX-WPRPVWTQSA-N 1 0 325.369 -1.571 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178384448 787921953 /nfs/dbraw/zinc/92/19/53/787921953.db2.gz XUASBCBGBUIWIK-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001178384470 787921455 /nfs/dbraw/zinc/92/14/55/787921455.db2.gz YPFSQGNEDXZCKR-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001178384502 787921658 /nfs/dbraw/zinc/92/16/58/787921658.db2.gz ZZOIARAGNIEQLW-DCAQKATOSA-N 1 0 341.412 -1.064 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001178384503 787921782 /nfs/dbraw/zinc/92/17/82/787921782.db2.gz ZZOIARAGNIEQLW-VWYCJHECSA-N 1 0 341.412 -1.064 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)CCN1C(=O)CC(N)=O ZINC001178390597 787921708 /nfs/dbraw/zinc/92/17/08/787921708.db2.gz AKNHDPMHNVLFGM-SRVKXCTJSA-N 1 0 326.397 -1.407 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)CCN1C(=O)CC(N)=O ZINC001178390598 787921328 /nfs/dbraw/zinc/92/13/28/787921328.db2.gz AKNHDPMHNVLFGM-TUAOUCFPSA-N 1 0 326.397 -1.407 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2nncs2)CCN1C(=O)CC(N)=O ZINC001178390614 787921567 /nfs/dbraw/zinc/92/15/67/787921567.db2.gz BFFXASFCHOZMKU-YUMQZZPRSA-N 1 0 326.382 -1.069 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178390655 787921775 /nfs/dbraw/zinc/92/17/75/787921775.db2.gz CSZKNEQSUASJII-RYUDHWBXSA-N 1 0 349.453 -1.108 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)CC(N)=O ZINC001178391018 787921419 /nfs/dbraw/zinc/92/14/19/787921419.db2.gz GAHROCXCGFSMAX-QWRGUYRKSA-N 1 0 334.442 -1.278 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178391701 787921492 /nfs/dbraw/zinc/92/14/92/787921492.db2.gz NPIMPFYPIVIRPG-QWRGUYRKSA-N 1 0 334.442 -1.230 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCN1C(=O)CC(N)=O ZINC001178391743 787921229 /nfs/dbraw/zinc/92/12/29/787921229.db2.gz PPJKFKUOIKWQCX-AXFHLTTASA-N 1 0 340.380 -2.049 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCN1C(=O)CC(N)=O ZINC001178391744 787921833 /nfs/dbraw/zinc/92/18/33/787921833.db2.gz PPJKFKUOIKWQCX-DCAQKATOSA-N 1 0 340.380 -2.049 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)CC(N)=O ZINC001178391762 787921790 /nfs/dbraw/zinc/92/17/90/787921790.db2.gz QCYOFJIUAMKALE-UWVGGRQHSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CCN1C(=O)CC(N)=O ZINC001178391929 787921560 /nfs/dbraw/zinc/92/15/60/787921560.db2.gz UBVIYAVCIBSQNU-SRVKXCTJSA-N 1 0 326.397 -1.576 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178392154 787921384 /nfs/dbraw/zinc/92/13/84/787921384.db2.gz ZFMLDOIAPZVVPF-QWRGUYRKSA-N 1 0 341.412 -1.077 20 0 EAADRO Cn1cnc(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001178394978 787923843 /nfs/dbraw/zinc/92/38/43/787923843.db2.gz CHEZCPGBYNFMMS-UHFFFAOYSA-N 1 0 325.373 -1.110 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)N(C)C ZINC001178395473 787922909 /nfs/dbraw/zinc/92/29/09/787922909.db2.gz IWTCLAWADRVLKE-DCAQKATOSA-N 1 0 341.412 -1.966 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)N(C)C ZINC001178395475 787923250 /nfs/dbraw/zinc/92/32/50/787923250.db2.gz IWTCLAWADRVLKE-VWYCJHECSA-N 1 0 341.412 -1.966 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395680 787923088 /nfs/dbraw/zinc/92/30/88/787923088.db2.gz LIBFPDDVVWDARA-GUBZILKMSA-N 1 0 327.385 -1.325 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395681 787923885 /nfs/dbraw/zinc/92/38/85/787923885.db2.gz LIBFPDDVVWDARA-UTLUCORTSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)CCN1C(=O)CC(N)=O ZINC001178395709 787923110 /nfs/dbraw/zinc/92/31/10/787923110.db2.gz MTKJONDJXVZDJO-OBJOEFQTSA-N 1 0 343.424 -1.003 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)CCN1C(=O)CC(N)=O ZINC001178395710 787923404 /nfs/dbraw/zinc/92/34/04/787923404.db2.gz MTKJONDJXVZDJO-SCRDCRAPSA-N 1 0 343.424 -1.003 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395878 787922621 /nfs/dbraw/zinc/92/26/21/787922621.db2.gz PWXQZCRNYYQVJY-SRVKXCTJSA-N 1 0 328.413 -1.018 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395879 787923256 /nfs/dbraw/zinc/92/32/56/787923256.db2.gz PWXQZCRNYYQVJY-WOPDTQHZSA-N 1 0 328.413 -1.018 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001178396155 787923182 /nfs/dbraw/zinc/92/31/82/787923182.db2.gz VBRIMWNDQNXIOG-QXEWZRGKSA-N 1 0 339.396 -1.183 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001178396156 787923900 /nfs/dbraw/zinc/92/39/00/787923900.db2.gz VBRIMWNDQNXIOG-YWVKMMECSA-N 1 0 339.396 -1.183 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CCOCC2)CCN1C(=O)CC(N)=O ZINC001178396161 787923201 /nfs/dbraw/zinc/92/32/01/787923201.db2.gz VKOLRLLDOXXWDA-JQWIXIFHSA-N 1 0 326.397 -1.264 20 0 EAADRO CNC(=O)NCCC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178399303 787923243 /nfs/dbraw/zinc/92/32/43/787923243.db2.gz FCPQVHHMBAVPHY-UHFFFAOYSA-N 1 0 344.416 -1.233 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2nnn(C)c2C)[C@H]1C ZINC001178405897 787923117 /nfs/dbraw/zinc/92/31/17/787923117.db2.gz RASOTOJFEHJOSN-WPRPVWTQSA-N 1 0 337.384 -1.228 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001178414509 787923502 /nfs/dbraw/zinc/92/35/02/787923502.db2.gz KZKNQEMEHTZTMX-AVGNSLFASA-N 1 0 333.454 -1.059 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001178414512 787922642 /nfs/dbraw/zinc/92/26/42/787922642.db2.gz KZKNQEMEHTZTMX-RWMBFGLXSA-N 1 0 333.454 -1.059 20 0 EAADRO Cc1c(C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]2C)nnn1C ZINC001178414762 787923326 /nfs/dbraw/zinc/92/33/26/787923326.db2.gz NODUXVGTXWIZSJ-ONGXEEELSA-N 1 0 344.441 -1.135 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001178414772 787923573 /nfs/dbraw/zinc/92/35/73/787923573.db2.gz OASCEBNICTYPTP-AVGNSLFASA-N 1 0 348.469 -1.555 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001178414775 787923949 /nfs/dbraw/zinc/92/39/49/787923949.db2.gz OASCEBNICTYPTP-RWMBFGLXSA-N 1 0 348.469 -1.555 20 0 EAADRO Cc1c(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]2C)nnn1C ZINC001178414791 787923736 /nfs/dbraw/zinc/92/37/36/787923736.db2.gz OVECCHOAOZLXFB-NRPADANISA-N 1 0 337.384 -1.100 20 0 EAADRO Cc1c(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]2C)nnn1C ZINC001178414792 787923654 /nfs/dbraw/zinc/92/36/54/787923654.db2.gz OVECCHOAOZLXFB-WEDXCCLWSA-N 1 0 337.384 -1.100 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C ZINC001178414889 787923009 /nfs/dbraw/zinc/92/30/09/787923009.db2.gz SZMFNTXVZICVHS-SDDRHHMPSA-N 1 0 341.412 -1.648 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178414890 787923312 /nfs/dbraw/zinc/92/33/12/787923312.db2.gz SZMFNTXVZICVHS-SRVKXCTJSA-N 1 0 341.412 -1.648 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001178414923 787923434 /nfs/dbraw/zinc/92/34/34/787923434.db2.gz VBJUWRSYTFJUEK-DCAQKATOSA-N 1 0 327.385 -1.909 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001178414924 787923270 /nfs/dbraw/zinc/92/32/70/787923270.db2.gz VBJUWRSYTFJUEK-GARJFASQSA-N 1 0 327.385 -1.909 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)[C@H]1C ZINC001178434725 787923040 /nfs/dbraw/zinc/92/30/40/787923040.db2.gz NAVIUHXGQWCXTM-UWVGGRQHSA-N 1 0 337.384 -1.228 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCc1nnc[nH]1 ZINC001178442224 787922892 /nfs/dbraw/zinc/92/28/92/787922892.db2.gz GABHIZIYDSWNOI-QWRGUYRKSA-N 1 0 344.441 -1.135 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)[C@H]1C)C(=O)NC(N)=O ZINC001178442762 787923916 /nfs/dbraw/zinc/92/39/16/787923916.db2.gz QAMDBVCPPLATDG-GUBZILKMSA-N 1 0 337.384 -1.100 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)[C@H]1C)C(=O)NC(N)=O ZINC001178442763 787923350 /nfs/dbraw/zinc/92/33/50/787923350.db2.gz QAMDBVCPPLATDG-UTLUCORTSA-N 1 0 337.384 -1.100 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H]1C ZINC001178455292 787923617 /nfs/dbraw/zinc/92/36/17/787923617.db2.gz ADLNNBIRLINHFQ-AXFHLTTASA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1C ZINC001178455294 787923872 /nfs/dbraw/zinc/92/38/72/787923872.db2.gz ADLNNBIRLINHFQ-DCAQKATOSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001178456451 787923990 /nfs/dbraw/zinc/92/39/90/787923990.db2.gz XACKPZGKYPKCFQ-SRVKXCTJSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001178456453 787922984 /nfs/dbraw/zinc/92/29/84/787922984.db2.gz XACKPZGKYPKCFQ-TUAOUCFPSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001178456501 787924002 /nfs/dbraw/zinc/92/40/02/787924002.db2.gz YCHFKAQQIJIPBC-AEJSXWLSSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001178456503 787923678 /nfs/dbraw/zinc/92/36/78/787923678.db2.gz YCHFKAQQIJIPBC-GUBZILKMSA-N 1 0 325.369 -1.714 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)[C@H]1C ZINC001178467392 787923415 /nfs/dbraw/zinc/92/34/15/787923415.db2.gz HRYHHLKAPWBERF-AXFHLTTASA-N 1 0 340.380 -1.026 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)[C@H]1C ZINC001178467393 787923556 /nfs/dbraw/zinc/92/35/56/787923556.db2.gz HRYHHLKAPWBERF-DCAQKATOSA-N 1 0 340.380 -1.026 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@H]1COC(=O)C1 ZINC001178467622 787923467 /nfs/dbraw/zinc/92/34/67/787923467.db2.gz MGTRKABLFTVFKW-AEJSXWLSSA-N 1 0 326.353 -1.287 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@@H]1COC(=O)C1 ZINC001178467623 787922827 /nfs/dbraw/zinc/92/28/27/787922827.db2.gz MGTRKABLFTVFKW-GUBZILKMSA-N 1 0 326.353 -1.287 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCCCCC[NH2+]CCO ZINC001178471422 787923164 /nfs/dbraw/zinc/92/31/64/787923164.db2.gz AZKOENSGEIRGSO-UHFFFAOYSA-N 1 0 338.474 -1.017 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CCS(=O)(=O)NC ZINC001178472222 787922818 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348.469 -1.555 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1COCCN1C ZINC001178489490 787925178 /nfs/dbraw/zinc/92/51/78/787925178.db2.gz XIVOHFKUNMKIMW-RWMBFGLXSA-N 1 0 348.469 -1.555 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1ncnn1 ZINC001178490363 787925440 /nfs/dbraw/zinc/92/54/40/787925440.db2.gz KWKHEQDZFGGGKG-UHFFFAOYSA-N 1 0 326.361 -1.866 20 0 EAADRO O=C(Cn1ncnn1)NCCCCCC[NH2+]CCN1CCNC1=O ZINC001178490371 787924828 /nfs/dbraw/zinc/92/48/28/787924828.db2.gz LHGZUHCOWMKFTM-UHFFFAOYSA-N 1 0 338.416 -1.036 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCCCCCNC(=O)Cn1ncnn1 ZINC001178490708 787924461 /nfs/dbraw/zinc/92/44/61/787924461.db2.gz QTLZRHGGFRAXGA-UHFFFAOYSA-N 1 0 332.430 -1.016 20 0 EAADRO O=C(Cn1ncnn1)NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001178490709 787925159 /nfs/dbraw/zinc/92/51/59/787925159.db2.gz QTZJYVLMKMEDLV-LLVKDONJSA-N 1 0 337.384 -1.256 20 0 EAADRO O=C(Cn1ncnn1)NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001178490710 787925557 /nfs/dbraw/zinc/92/55/57/787925557.db2.gz QTZJYVLMKMEDLV-NSHDSACASA-N 1 0 337.384 -1.256 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1ncnn1 ZINC001178491212 787925452 /nfs/dbraw/zinc/92/54/52/787925452.db2.gz ZMWQXEMQINLAPK-UHFFFAOYSA-N 1 0 340.388 -1.605 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)Cn1ncnn1)C(=O)NC(N)=O ZINC001178494235 787922960 /nfs/dbraw/zinc/92/29/60/787922960.db2.gz BVDKQIOBQHPTIM-JTQLQIEISA-N 1 0 340.388 -1.477 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)Cn1ncnn1)C(=O)NC(N)=O ZINC001178494236 787923367 /nfs/dbraw/zinc/92/33/67/787923367.db2.gz BVDKQIOBQHPTIM-SNVBAGLBSA-N 1 0 340.388 -1.477 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)Cn1ncnn1 ZINC001178494533 787923854 /nfs/dbraw/zinc/92/38/54/787923854.db2.gz GMMFSXYVJVYMSU-UHFFFAOYSA-N 1 0 347.445 -1.512 20 0 EAADRO CC(C)(C)OC(=O)N1CCN(CC(=O)NCC[NH2+]CCO)C(=O)C1 ZINC001178501466 787923146 /nfs/dbraw/zinc/92/31/46/787923146.db2.gz CKGYYFVTTUTQQN-UHFFFAOYSA-N 1 0 344.412 -1.236 20 0 EAADRO CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(C[NH3+])COC2)C(=O)C1 ZINC001178502114 787922951 /nfs/dbraw/zinc/92/29/51/787922951.db2.gz XRSMXJHETUHSON-UHFFFAOYSA-N 1 0 342.396 -1.090 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)CN1CN=NC1=O ZINC001178508720 787924688 /nfs/dbraw/zinc/92/46/88/787924688.db2.gz QHDJESXAJLBEEP-AVGNSLFASA-N 1 0 349.395 -1.180 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)CN1CN=NC1=O ZINC001178508721 787925064 /nfs/dbraw/zinc/92/50/64/787925064.db2.gz QHDJESXAJLBEEP-XQQFMLRXSA-N 1 0 349.395 -1.180 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C ZINC001178511762 787925337 /nfs/dbraw/zinc/92/53/37/787925337.db2.gz FGFMUYXGOBGWHU-IUCAKERBSA-N 1 0 339.356 -1.982 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)n1cncn1 ZINC001178511922 787924956 /nfs/dbraw/zinc/92/49/56/787924956.db2.gz FYGVYEKZPOSSHZ-SRVKXCTJSA-N 1 0 344.441 -1.033 20 0 EAADRO C[C@H](C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)n1cncn1 ZINC001178511923 787925030 /nfs/dbraw/zinc/92/50/30/787925030.db2.gz FYGVYEKZPOSSHZ-TUAOUCFPSA-N 1 0 344.441 -1.033 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)CN1CN=NC1=O ZINC001178512183 787924348 /nfs/dbraw/zinc/92/43/48/787924348.db2.gz JUEKPXPUKGCFKI-QWRGUYRKSA-N 1 0 345.425 -1.003 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CN=NC1=O ZINC001178512203 787925608 /nfs/dbraw/zinc/92/56/08/787925608.db2.gz KOHHPMTVKJGZIF-UWVGGRQHSA-N 1 0 346.413 -1.888 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)CN1CN=NC1=O ZINC001178512494 787924889 /nfs/dbraw/zinc/92/48/89/787924889.db2.gz NVWLGKCJOLMQIP-UWVGGRQHSA-N 1 0 331.398 -1.393 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001178512568 787924762 /nfs/dbraw/zinc/92/47/62/787924762.db2.gz QCKHBYIHCDBMLA-DCAQKATOSA-N 1 0 341.412 -1.064 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001178512569 787924509 /nfs/dbraw/zinc/92/45/09/787924509.db2.gz QCKHBYIHCDBMLA-VWYCJHECSA-N 1 0 341.412 -1.064 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178512776 787924526 /nfs/dbraw/zinc/92/45/26/787924526.db2.gz QINBTGXVUSTTRE-GUBZILKMSA-N 1 0 327.385 -1.325 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178512777 787925047 /nfs/dbraw/zinc/92/50/47/787925047.db2.gz QINBTGXVUSTTRE-UTLUCORTSA-N 1 0 327.385 -1.325 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178512778 787925310 /nfs/dbraw/zinc/92/53/10/787925310.db2.gz QIVARUZSCAOSKC-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C)C(=O)NC(N)=O ZINC001178512780 787925486 /nfs/dbraw/zinc/92/54/86/787925486.db2.gz QKJXXBMNTKJZCR-CIUDSAMLSA-N 1 0 339.356 -1.854 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C)C(=O)NC(N)=O ZINC001178512781 787925075 /nfs/dbraw/zinc/92/50/75/787925075.db2.gz QKJXXBMNTKJZCR-VGMNWLOBSA-N 1 0 339.356 -1.854 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)n2cncn2)[C@H]1C ZINC001178512818 787925510 /nfs/dbraw/zinc/92/55/10/787925510.db2.gz RRLXCLHQNWQOSQ-AXFHLTTASA-N 1 0 337.384 -1.126 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)n2cncn2)[C@H]1C ZINC001178512819 787925458 /nfs/dbraw/zinc/92/54/58/787925458.db2.gz RRLXCLHQNWQOSQ-DCAQKATOSA-N 1 0 337.384 -1.126 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178513052 787924855 /nfs/dbraw/zinc/92/48/55/787924855.db2.gz YCLIRWWVQOAODY-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CN=NC1=O ZINC001178513064 787924290 /nfs/dbraw/zinc/92/42/90/787924290.db2.gz YOZMKHWFCQNNOE-YUMQZZPRSA-N 1 0 325.329 -2.242 20 0 EAADRO CNC(=O)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178519626 787924365 /nfs/dbraw/zinc/92/43/65/787924365.db2.gz ANCHXJQIADYALV-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO CNC(=O)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178519659 787925248 /nfs/dbraw/zinc/92/52/48/787925248.db2.gz 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C[C@H]([NH2+]CCCCCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001178522291 787924585 /nfs/dbraw/zinc/92/45/85/787924585.db2.gz KOOYHCICHOYICY-JTQLQIEISA-N 1 0 339.400 -1.483 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001178522295 787925152 /nfs/dbraw/zinc/92/51/52/787925152.db2.gz KOOYHCICHOYICY-SNVBAGLBSA-N 1 0 339.400 -1.483 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001178522540 787925589 /nfs/dbraw/zinc/92/55/89/787925589.db2.gz LREKSTVTTAJNTG-UHFFFAOYSA-N 1 0 339.400 -1.611 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C ZINC001178525570 787924998 /nfs/dbraw/zinc/92/49/98/787924998.db2.gz NYJXDTZADOFQLV-WPRPVWTQSA-N 1 0 337.384 -1.350 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cnn(C)c1N ZINC001178525684 787925363 /nfs/dbraw/zinc/92/53/63/787925363.db2.gz SRTSMROFWHKFJB-ONGXEEELSA-N 1 0 344.441 -1.256 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C)C(=O)NC(N)=O ZINC001178525693 787924697 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341.412 -1.064 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178544407 787924659 /nfs/dbraw/zinc/92/46/59/787924659.db2.gz DJTHKESFDONQCN-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178544414 787925566 /nfs/dbraw/zinc/92/55/66/787925566.db2.gz DYMBOJGYRAMBIB-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@@H]1C ZINC001178544515 787924638 /nfs/dbraw/zinc/92/46/38/787924638.db2.gz IPYRVXIWPGCJHU-ONGXEEELSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)[C@@H]1C ZINC001178544559 787925425 /nfs/dbraw/zinc/92/54/25/787925425.db2.gz KMYUVMFGJWBMBM-AVGNSLFASA-N 1 0 340.424 -1.003 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)[C@@H]1C ZINC001178544560 787925185 /nfs/dbraw/zinc/92/51/85/787925185.db2.gz KMYUVMFGJWBMBM-XQQFMLRXSA-N 1 0 340.424 -1.003 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCCCOC)[C@@H]1C 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GSIWQIWJIYZGLK-AGIUHOORSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001178547830 787925144 /nfs/dbraw/zinc/92/51/44/787925144.db2.gz GSIWQIWJIYZGLK-AVGNSLFASA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178547850 787924725 /nfs/dbraw/zinc/92/47/25/787924725.db2.gz HTFRZTGSBCVJNR-UWVGGRQHSA-N 1 0 325.369 -1.747 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CCOCCNC(C)=O)[C@@H]1C ZINC001178547861 787926291 /nfs/dbraw/zinc/92/62/91/787926291.db2.gz IDRXYMHRZVBBOM-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C ZINC001178547874 787927044 /nfs/dbraw/zinc/92/70/44/787927044.db2.gz ISPNWEWADOSTGD-AVGNSLFASA-N 1 0 331.413 -1.275 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C ZINC001178547875 787926775 /nfs/dbraw/zinc/92/67/75/787926775.db2.gz ISPNWEWADOSTGD-XQQFMLRXSA-N 1 0 331.413 -1.275 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC001178547903 787926397 /nfs/dbraw/zinc/92/63/97/787926397.db2.gz JXSPBOOVDOZWLQ-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001178547939 787926361 /nfs/dbraw/zinc/92/63/61/787926361.db2.gz LLROGYSBAZLCEA-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001178548138 787926093 /nfs/dbraw/zinc/92/60/93/787926093.db2.gz SCPIPIOJLIMEPE-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178548352 787926583 /nfs/dbraw/zinc/92/65/83/787926583.db2.gz UXCYUXORTMBBJQ-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)[C@@H]1C ZINC001178548375 787926743 /nfs/dbraw/zinc/92/67/43/787926743.db2.gz VKWIYQBRARQTFH-AVGNSLFASA-N 1 0 340.424 -1.315 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)[C@@H]1C ZINC001178548491 787926448 /nfs/dbraw/zinc/92/64/48/787926448.db2.gz XLFXBOJYQLUYTI-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)[C@@H]1C ZINC001178548609 787927066 /nfs/dbraw/zinc/92/70/66/787927066.db2.gz YRRVRLQQUSFROQ-AVGNSLFASA-N 1 0 340.424 -1.146 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)[C@@H]1C ZINC001178548610 787926337 /nfs/dbraw/zinc/92/63/37/787926337.db2.gz YRRVRLQQUSFROQ-XQQFMLRXSA-N 1 0 340.424 -1.146 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178551028 787926269 /nfs/dbraw/zinc/92/62/69/787926269.db2.gz CYYDNDYZFRCVCF-KATARQTJSA-N 1 0 342.400 -1.534 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178551029 787926543 /nfs/dbraw/zinc/92/65/43/787926543.db2.gz CYYDNDYZFRCVCF-XKNYDFJKSA-N 1 0 342.400 -1.534 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H]1C ZINC001178551279 787926669 /nfs/dbraw/zinc/92/66/69/787926669.db2.gz IONLDOQEKFYWMB-DCAQKATOSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCn1ccnn1 ZINC001178551583 787926454 /nfs/dbraw/zinc/92/64/54/787926454.db2.gz MNIUZLNQFQGSLH-RYUDHWBXSA-N 1 0 344.441 -1.204 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C ZINC001178551596 787926963 /nfs/dbraw/zinc/92/69/63/787926963.db2.gz MTWNMTJDNIEBHZ-QWRGUYRKSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)[C@@H]1C ZINC001178551607 787926689 /nfs/dbraw/zinc/92/66/89/787926689.db2.gz NDVXPWKUSPXEGJ-CYDGBPFRSA-N 1 0 338.412 -1.120 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)[C@@H]1C ZINC001178551608 787926509 /nfs/dbraw/zinc/92/65/09/787926509.db2.gz NDVXPWKUSPXEGJ-RVMXOQNASA-N 1 0 338.412 -1.120 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178551619 787926055 /nfs/dbraw/zinc/92/60/55/787926055.db2.gz NIRWPIDIVXCZTJ-JBDRJPRFSA-N 1 0 328.373 -1.794 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C)C(=O)NC(N)=O ZINC001178551620 787926299 /nfs/dbraw/zinc/92/62/99/787926299.db2.gz NIRWPIDIVXCZTJ-XGEHTFHBSA-N 1 0 328.373 -1.794 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC1OCCCO1 ZINC001178551749 787926594 /nfs/dbraw/zinc/92/65/94/787926594.db2.gz OGWOBYLZCHCRSX-UWVGGRQHSA-N 1 0 328.369 -1.087 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178552049 787926221 /nfs/dbraw/zinc/92/62/21/787926221.db2.gz TYWKOHJAUPSKFT-GUBZILKMSA-N 1 0 335.430 -1.829 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178552098 787927051 /nfs/dbraw/zinc/92/70/51/787927051.db2.gz WBWOQKAJVLDYEH-GUBZILKMSA-N 1 0 340.384 -1.826 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178552133 787926499 /nfs/dbraw/zinc/92/64/99/787926499.db2.gz XPKNVDFFTBCNFP-DCAQKATOSA-N 1 0 349.457 -1.439 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]2C)C1 ZINC001178555156 787927016 /nfs/dbraw/zinc/92/70/16/787927016.db2.gz CRVGVWVEQXORMF-AUTRQRHGSA-N 1 0 339.396 -1.373 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]2C)C1 ZINC001178555157 787926632 /nfs/dbraw/zinc/92/66/32/787926632.db2.gz CRVGVWVEQXORMF-PTRXPTGYSA-N 1 0 339.396 -1.373 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C)C(=O)NC(N)=O ZINC001178555159 787926434 /nfs/dbraw/zinc/92/64/34/787926434.db2.gz CVEBYQMBKJZNAA-DCAQKATOSA-N 1 0 337.384 -1.169 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C)C(=O)NC(N)=O ZINC001178555160 787926863 /nfs/dbraw/zinc/92/68/63/787926863.db2.gz CVEBYQMBKJZNAA-VWYCJHECSA-N 1 0 337.384 -1.169 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H]1C ZINC001178555200 787926213 /nfs/dbraw/zinc/92/62/13/787926213.db2.gz FGFUAPCPKPVUOI-IUCAKERBSA-N 1 0 339.352 -1.374 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001178555343 787926553 /nfs/dbraw/zinc/92/65/53/787926553.db2.gz KZBBIEFRNLOYEF-CABZTGNLSA-N 1 0 339.396 -1.501 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cc(=O)n(C)o1 ZINC001178555358 787926257 /nfs/dbraw/zinc/92/62/57/787926257.db2.gz LLINSOYLMMZLKU-YUMQZZPRSA-N 1 0 325.325 -1.634 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]2C)C1 ZINC001178555456 787927080 /nfs/dbraw/zinc/92/70/80/787927080.db2.gz OXSPCFRCCHWPEH-GWCFXTLKSA-N 1 0 346.453 -1.407 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001178555478 787926305 /nfs/dbraw/zinc/92/63/05/787926305.db2.gz PSDQJJNFSTUAAP-KWQFWETISA-N 1 0 325.369 -1.761 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178559766 787926533 /nfs/dbraw/zinc/92/65/33/787926533.db2.gz HRLSHBQEPGLTKA-SRVKXCTJSA-N 1 0 343.428 -1.225 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001178559774 787926320 /nfs/dbraw/zinc/92/63/20/787926320.db2.gz HZODPFBGXLGIAU-CIUDSAMLSA-N 1 0 325.373 -1.756 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001178562965 787926834 /nfs/dbraw/zinc/92/68/34/787926834.db2.gz BRHWWHCKKIZVEH-AATLWQCWSA-N 1 0 325.369 -1.573 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001178562966 787926278 /nfs/dbraw/zinc/92/62/78/787926278.db2.gz BRHWWHCKKIZVEH-XKNYDFJKSA-N 1 0 325.369 -1.573 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563147 787926759 /nfs/dbraw/zinc/92/67/59/787926759.db2.gz FZCFJHZUANBTMP-SRVKXCTJSA-N 1 0 343.428 -1.225 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563439 787926660 /nfs/dbraw/zinc/92/66/60/787926660.db2.gz JKYJVNAILVPVET-GVXVVHGQSA-N 1 0 343.428 -1.225 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563486 787926029 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SKCNGCGXOGIJNS-DCAQKATOSA-N 1 0 349.457 -1.486 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563855 787927029 /nfs/dbraw/zinc/92/70/29/787927029.db2.gz UAYGWPVOFGLQLK-CIUDSAMLSA-N 1 0 328.373 -1.922 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001178564091 787926402 /nfs/dbraw/zinc/92/64/02/787926402.db2.gz ZMFDBRVUBNPSPC-SRVKXCTJSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H]1C)C(=O)NC(N)=O ZINC001178566518 787926174 /nfs/dbraw/zinc/92/61/74/787926174.db2.gz FMYXNWLWXQKVNM-CIUDSAMLSA-N 1 0 339.352 -1.246 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H]1C)C(=O)NC(N)=O ZINC001178566519 787926157 /nfs/dbraw/zinc/92/61/57/787926157.db2.gz FMYXNWLWXQKVNM-VGMNWLOBSA-N 1 0 339.352 -1.246 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C1CS(=O)(=O)C1 ZINC001178566669 787926370 /nfs/dbraw/zinc/92/63/70/787926370.db2.gz DBNGUXVLELOESY-UHFFFAOYSA-N 1 0 348.425 -1.508 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1nccn1 ZINC001178579578 787926349 /nfs/dbraw/zinc/92/63/49/787926349.db2.gz AKNJTZVFDYTRIW-UHFFFAOYSA-N 1 0 339.400 -1.000 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1nccn1 ZINC001178579832 787926561 /nfs/dbraw/zinc/92/65/61/787926561.db2.gz IYRQKJNAEMDTFH-UHFFFAOYSA-N 1 0 325.373 -1.261 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ccnn2C)[C@H]1C ZINC001178587473 787926978 /nfs/dbraw/zinc/92/69/78/787926978.db2.gz NLMYYSSJLMDSNN-JQWIXIFHSA-N 1 0 336.396 -1.003 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)c1cnnn1C ZINC001178594178 787926333 /nfs/dbraw/zinc/92/63/33/787926333.db2.gz BECVGMLZRVROIL-QWRGUYRKSA-N 1 0 344.441 -1.101 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cnnn1C ZINC001178594188 787927008 /nfs/dbraw/zinc/92/70/08/787927008.db2.gz BKJNNVSXRAFTLG-UWVGGRQHSA-N 1 0 330.414 -1.443 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC001178594193 787926249 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341.368 -1.481 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001178595360 787926609 /nfs/dbraw/zinc/92/66/09/787926609.db2.gz UQPVBSXPOQCGBE-SDDRHHMPSA-N 1 0 342.396 -1.174 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001178595362 787927088 /nfs/dbraw/zinc/92/70/88/787927088.db2.gz UQPVBSXPOQCGBE-SRVKXCTJSA-N 1 0 342.396 -1.174 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC001178595546 787926938 /nfs/dbraw/zinc/92/69/38/787926938.db2.gz YVYJHSLCHAVSIG-GUBZILKMSA-N 1 0 337.384 -1.148 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC001178595547 787926189 /nfs/dbraw/zinc/92/61/89/787926189.db2.gz YVYJHSLCHAVSIG-UTLUCORTSA-N 1 0 337.384 -1.148 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001178604869 787926228 /nfs/dbraw/zinc/92/62/28/787926228.db2.gz CQNPRJDFOSPYNL-DRZSPHRISA-N 1 0 342.396 -1.174 20 0 EAADRO 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342.400 -1.660 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC001178632756 787927721 /nfs/dbraw/zinc/92/77/21/787927721.db2.gz ZYFXAFASKDBBRD-GUBZILKMSA-N 1 0 337.384 -1.148 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC001178632757 787928251 /nfs/dbraw/zinc/92/82/51/787928251.db2.gz ZYFXAFASKDBBRD-UTLUCORTSA-N 1 0 337.384 -1.148 20 0 EAADRO CNC(=O)NCC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178633633 787928311 /nfs/dbraw/zinc/92/83/11/787928311.db2.gz BQANSYNHVBYAFJ-UHFFFAOYSA-N 1 0 330.389 -1.624 20 0 EAADRO CNC(=O)NCC(=O)NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001178633662 787927830 /nfs/dbraw/zinc/92/78/30/787927830.db2.gz CQUSWKSENUWVKZ-LLVKDONJSA-N 1 0 341.412 -1.013 20 0 EAADRO CNC(=O)NCC(=O)NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001178633663 787928388 /nfs/dbraw/zinc/92/83/88/787928388.db2.gz CQUSWKSENUWVKZ-NSHDSACASA-N 1 0 341.412 -1.013 20 0 EAADRO CNC(=O)NCC(=O)NCCCCCC[NH2+]CC(=O)NC(=O)NC ZINC001178633858 787927973 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342.396 -1.174 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C[C@H]1CCNC1=O ZINC001178683841 787927685 /nfs/dbraw/zinc/92/76/85/787927685.db2.gz JCUCADIYEPZTBX-LLVKDONJSA-N 1 0 341.412 -1.026 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCNC1=O ZINC001178683842 787927612 /nfs/dbraw/zinc/92/76/12/787927612.db2.gz JCUCADIYEPZTBX-NSHDSACASA-N 1 0 341.412 -1.026 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CO[C@H]1CCOC1 ZINC001178684438 787928297 /nfs/dbraw/zinc/92/82/97/787928297.db2.gz AUQKXETWZFPVDH-AVGNSLFASA-N 1 0 349.453 -1.080 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CO[C@@H]1CCOC1 ZINC001178684440 787927752 /nfs/dbraw/zinc/92/77/52/787927752.db2.gz AUQKXETWZFPVDH-XQQFMLRXSA-N 1 0 349.453 -1.080 20 0 EAADRO Cc1cccn(CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)c1=O ZINC001178685376 787928426 /nfs/dbraw/zinc/92/84/26/787928426.db2.gz RUNBRCRNEHVIOA-RYUDHWBXSA-N 1 0 349.391 -1.069 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C)NC(N)=O ZINC001178685594 787927579 /nfs/dbraw/zinc/92/75/79/787927579.db2.gz YRYQWCKAKIKOAG-GUBZILKMSA-N 1 0 339.400 -1.366 20 0 EAADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C)NC(N)=O ZINC001178685595 787927733 /nfs/dbraw/zinc/92/77/33/787927733.db2.gz YRYQWCKAKIKOAG-UTLUCORTSA-N 1 0 339.400 -1.366 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)NC(N)=O ZINC001178688971 787928131 /nfs/dbraw/zinc/92/81/31/787928131.db2.gz LEDWVUHILSMGIQ-DCAQKATOSA-N 1 0 349.457 -1.439 20 0 EAADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)NC(N)=O ZINC001178688972 787928128 /nfs/dbraw/zinc/92/81/28/787928128.db2.gz LEDWVUHILSMGIQ-VWYCJHECSA-N 1 0 349.457 -1.439 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)NC(N)=O)[C@H]1C ZINC001178688978 787928028 /nfs/dbraw/zinc/92/80/28/787928028.db2.gz LIMLWCRFMHVWDT-GUBZILKMSA-N 1 0 342.400 -1.532 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)[C@H]1C ZINC001178688980 787927931 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GXFMYPRCMUYTCK-SRVKXCTJSA-N 1 0 346.453 -1.217 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001178699098 787929853 /nfs/dbraw/zinc/92/98/53/787929853.db2.gz IPDXOUPQHGAWIB-JQWIXIFHSA-N 1 0 346.453 -1.217 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001178699254 787929035 /nfs/dbraw/zinc/92/90/35/787929035.db2.gz LKGKVYSWPJZUIL-SRVKXCTJSA-N 1 0 337.442 -1.488 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C ZINC001178699255 787929319 /nfs/dbraw/zinc/92/93/19/787929319.db2.gz LKGKVYSWPJZUIL-TUAOUCFPSA-N 1 0 337.442 -1.488 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001178699335 787928849 /nfs/dbraw/zinc/92/88/49/787928849.db2.gz PFBKTFDEDXSGJA-DCAQKATOSA-N 1 0 332.426 -1.607 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001178699336 787929287 /nfs/dbraw/zinc/92/92/87/787929287.db2.gz PFBKTFDEDXSGJA-GARJFASQSA-N 1 0 332.426 -1.607 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H]1C ZINC001178699477 787928873 /nfs/dbraw/zinc/92/88/73/787928873.db2.gz SSAUBDNKIPYBTM-JQWIXIFHSA-N 1 0 344.441 -1.167 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001178699548 787929410 /nfs/dbraw/zinc/92/94/10/787929410.db2.gz VGIAGVAITAJRGP-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001178699572 787929327 /nfs/dbraw/zinc/92/93/27/787929327.db2.gz WFRRUAIBZAGCLR-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178699739 787928801 /nfs/dbraw/zinc/92/88/01/787928801.db2.gz YQLSOKKDUDNBDP-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001178699762 787929927 /nfs/dbraw/zinc/92/99/27/787929927.db2.gz ZMUAGNDNIHWLKN-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001178701286 787929731 /nfs/dbraw/zinc/92/97/31/787929731.db2.gz HVCSWPNTQLLICO-JSXSYOHWSA-N 1 0 332.397 -1.569 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001178701287 787930011 /nfs/dbraw/zinc/93/00/11/787930011.db2.gz HVCSWPNTQLLICO-VUZIRADBSA-N 1 0 332.397 -1.569 20 0 EAADRO COCC[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C ZINC001178703643 787929673 /nfs/dbraw/zinc/92/96/73/787929673.db2.gz ALTLDWQJPHSDBD-RYUDHWBXSA-N 1 0 336.458 -1.050 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001178703842 787929871 /nfs/dbraw/zinc/92/98/71/787929871.db2.gz FPUDXQRIDXIYBB-SDDRHHMPSA-N 1 0 346.453 -1.265 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001178703843 787929265 /nfs/dbraw/zinc/92/92/65/787929265.db2.gz FPUDXQRIDXIYBB-SRVKXCTJSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C ZINC001178703899 787929475 /nfs/dbraw/zinc/92/94/75/787929475.db2.gz IKVQYQZOYZFGES-SRVKXCTJSA-N 1 0 336.458 -1.316 20 0 EAADRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C ZINC001178703900 787929193 /nfs/dbraw/zinc/92/91/93/787929193.db2.gz IKVQYQZOYZFGES-WOPDTQHZSA-N 1 0 336.458 -1.316 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C)C(N)=O ZINC001178703920 787929831 /nfs/dbraw/zinc/92/98/31/787929831.db2.gz JOQMVIUCCIZNBG-DCAQKATOSA-N 1 0 349.457 -1.823 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C)C(N)=O ZINC001178703921 787929439 /nfs/dbraw/zinc/92/94/39/787929439.db2.gz JOQMVIUCCIZNBG-VWYCJHECSA-N 1 0 349.457 -1.823 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC001178704117 787929720 /nfs/dbraw/zinc/92/97/20/787929720.db2.gz NSGSIQXRHMFCAC-RYUDHWBXSA-N 1 0 336.458 -1.314 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001178704275 787929590 /nfs/dbraw/zinc/92/95/90/787929590.db2.gz QNTMGHZTJCHRFH-RYUDHWBXSA-N 1 0 344.441 -1.204 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C ZINC001178704360 787929175 /nfs/dbraw/zinc/92/91/75/787929175.db2.gz SZPSCPJWCQTCAS-QWRGUYRKSA-N 1 0 349.457 -1.950 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001178704468 787929069 /nfs/dbraw/zinc/92/90/69/787929069.db2.gz VHSSBQIIWVRAPS-DCAQKATOSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001178704469 787929699 /nfs/dbraw/zinc/92/96/99/787929699.db2.gz VHSSBQIIWVRAPS-VWYCJHECSA-N 1 0 334.442 -1.361 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC001178704474 787929562 /nfs/dbraw/zinc/92/95/62/787929562.db2.gz VUWRJIVOFKFZGQ-UWVGGRQHSA-N 1 0 335.430 -2.211 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178704509 787929279 /nfs/dbraw/zinc/92/92/79/787929279.db2.gz XLSBQUBVZQNVCB-RYUDHWBXSA-N 1 0 337.442 -1.486 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001178704515 787928981 /nfs/dbraw/zinc/92/89/81/787928981.db2.gz YBGJPMKEYGTTNH-SRVKXCTJSA-N 1 0 348.469 -1.019 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001178704516 787929048 /nfs/dbraw/zinc/92/90/48/787929048.db2.gz YBGJPMKEYGTTNH-WOPDTQHZSA-N 1 0 348.469 -1.019 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C)C(N)=O ZINC001178704518 787929918 /nfs/dbraw/zinc/92/99/18/787929918.db2.gz YDZSJLFXZACTBY-AXFHLTTASA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C)C(N)=O ZINC001178704521 787929942 /nfs/dbraw/zinc/92/99/42/787929942.db2.gz YDZSJLFXZACTBY-DCAQKATOSA-N 1 0 334.442 -1.231 20 0 EAADRO O=C(CN1CCOCC1=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001178705047 787929118 /nfs/dbraw/zinc/92/91/18/787929118.db2.gz AHYNEGPILQUMEO-CYBMUJFWSA-N 1 0 340.424 -1.000 20 0 EAADRO O=C(CN1CCOCC1=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001178705048 787929805 /nfs/dbraw/zinc/92/98/05/787929805.db2.gz AHYNEGPILQUMEO-ZDUSSCGKSA-N 1 0 340.424 -1.000 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1CCOCC1=O ZINC001178705278 787929082 /nfs/dbraw/zinc/92/90/82/787929082.db2.gz KIMMOAOWYAZWQH-UHFFFAOYSA-N 1 0 328.413 -1.143 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)CN1CCOCC1=O)C(N)=O ZINC001178705569 787928952 /nfs/dbraw/zinc/92/89/52/787928952.db2.gz SQPBYDILFLWPDA-GFCCVEGCSA-N 1 0 328.413 -1.015 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)CN1CCOCC1=O)C(N)=O ZINC001178705570 787929357 /nfs/dbraw/zinc/92/93/57/787929357.db2.gz SQPBYDILFLWPDA-LBPRGKRZSA-N 1 0 328.413 -1.015 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cnc(N(C)C)cn1 ZINC001178707936 787929377 /nfs/dbraw/zinc/92/93/77/787929377.db2.gz OSJGDNNPKDUYMM-UWVGGRQHSA-N 1 0 349.395 -1.070 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715471 787929990 /nfs/dbraw/zinc/92/99/90/787929990.db2.gz AQYFAAHZCNCCNT-AVGNSLFASA-N 1 0 342.400 -1.724 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715472 787928944 /nfs/dbraw/zinc/92/89/44/787928944.db2.gz AQYFAAHZCNCCNT-XQQFMLRXSA-N 1 0 342.400 -1.724 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2ccon2)CCN1C(=O)Cn1ncnn1 ZINC001178715495 787929216 /nfs/dbraw/zinc/92/92/16/787929216.db2.gz BJDLVHPCCFMWCR-UWVGGRQHSA-N 1 0 334.340 -1.121 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCN1C(=O)Cn1ncnn1 ZINC001178715519 787928892 /nfs/dbraw/zinc/92/88/92/787928892.db2.gz CKVOMLLDKJBCQQ-IUCAKERBSA-N 1 0 349.317 -1.069 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)Cn1ncnn1 ZINC001178715548 787929091 /nfs/dbraw/zinc/92/90/91/787929091.db2.gz CYKDFMPNPWOPIH-QWRGUYRKSA-N 1 0 330.414 -1.313 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715556 787929548 /nfs/dbraw/zinc/92/95/48/787929548.db2.gz DDMWMEZTGVNJPS-RYUDHWBXSA-N 1 0 338.416 -1.040 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715722 787929612 /nfs/dbraw/zinc/92/96/12/787929612.db2.gz GTZUNFLINVDZIA-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715780 787929297 /nfs/dbraw/zinc/92/92/97/787929297.db2.gz HWBLRKNHYHLKBV-AAEUAGOBSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)Cn1ncnn1 ZINC001178716181 787928788 /nfs/dbraw/zinc/92/87/88/787928788.db2.gz LIGMVLLKENAEGD-AVGNSLFASA-N 1 0 334.384 -1.490 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)Cn1ncnn1 ZINC001178716183 787929403 /nfs/dbraw/zinc/92/94/03/787929403.db2.gz LIGMVLLKENAEGD-XQQFMLRXSA-N 1 0 334.384 -1.490 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178716254 787929513 /nfs/dbraw/zinc/92/95/13/787929513.db2.gz NEXUZDOVRZGKGN-QWRGUYRKSA-N 1 0 345.429 -1.809 20 0 EAADRO COc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)ncn1 ZINC001178716439 787929426 /nfs/dbraw/zinc/92/94/26/787929426.db2.gz NXYCYSOSQYBKBZ-IUCAKERBSA-N 1 0 336.352 -1.127 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C)CS(C)(=O)=O ZINC001178716738 787928863 /nfs/dbraw/zinc/92/88/63/787928863.db2.gz VJKFVGRNXJEGKX-SRVKXCTJSA-N 1 0 344.441 -1.067 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C)CS(C)(=O)=O ZINC001178716739 787929666 /nfs/dbraw/zinc/92/96/66/787929666.db2.gz VJKFVGRNXJEGKX-WOPDTQHZSA-N 1 0 344.441 -1.067 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178716740 787929575 /nfs/dbraw/zinc/92/95/75/787929575.db2.gz VNVHJJAXQTVPDZ-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)Cn1ncnn1 ZINC001178716741 787929815 /nfs/dbraw/zinc/92/98/15/787929815.db2.gz VPWLZJOBVUCQHW-QWRGUYRKSA-N 1 0 345.367 -1.319 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1ncnn1 ZINC001178716742 787928960 /nfs/dbraw/zinc/92/89/60/787928960.db2.gz VSXLKUDLPZBLEA-UWVGGRQHSA-N 1 0 331.402 -2.199 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)Cn1ncnn1 ZINC001178716793 787929041 /nfs/dbraw/zinc/92/90/41/787929041.db2.gz XZWMIRGPAXWEFR-QWRGUYRKSA-N 1 0 345.429 -1.857 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178716824 787929974 /nfs/dbraw/zinc/92/99/74/787929974.db2.gz ZAYIEQFRVOAYSH-UWVGGRQHSA-N 1 0 338.372 -1.902 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178716835 787928932 /nfs/dbraw/zinc/92/89/32/787928932.db2.gz ZLASQQWJAIDKTJ-GUBZILKMSA-N 1 0 338.372 -1.904 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178716836 787929999 /nfs/dbraw/zinc/92/99/99/787929999.db2.gz ZLASQQWJAIDKTJ-UTLUCORTSA-N 1 0 338.372 -1.904 20 0 EAADRO CCNC(=O)C[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719002 787929781 /nfs/dbraw/zinc/92/97/81/787929781.db2.gz DBAQVLPXYVWKIV-NSHDSACASA-N 1 0 341.412 -1.013 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719252 787929017 /nfs/dbraw/zinc/92/90/17/787929017.db2.gz GTBMTJAERWRADR-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719275 787928818 /nfs/dbraw/zinc/92/88/18/787928818.db2.gz HQDWWWFFUPFPKI-JTQLQIEISA-N 1 0 327.385 -1.403 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719564 787927981 /nfs/dbraw/zinc/92/79/81/787927981.db2.gz OARBYOWSFXZBEN-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719565 787927775 /nfs/dbraw/zinc/92/77/75/787927775.db2.gz OARBYOWSFXZBEN-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001178719573 787927395 /nfs/dbraw/zinc/92/73/95/787927395.db2.gz OLVTWIBCMGICBS-UWVGGRQHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001178719574 787927345 /nfs/dbraw/zinc/92/73/45/787927345.db2.gz OLVTWIBCMGICBS-ZJUUUORDSA-N 1 0 327.385 -1.276 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCCCCC[NH2+]CCOCCO ZINC001178719917 787927822 /nfs/dbraw/zinc/92/78/22/787927822.db2.gz VFNGNEWJRFDBLJ-LBPRGKRZSA-N 1 0 344.412 -1.140 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001178719936 787928396 /nfs/dbraw/zinc/92/83/96/787928396.db2.gz VYQPOZWXHZPNLT-MNOVXSKESA-N 1 0 339.396 -1.261 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001178719937 787927922 /nfs/dbraw/zinc/92/79/22/787927922.db2.gz VYQPOZWXHZPNLT-QWRGUYRKSA-N 1 0 339.396 -1.261 20 0 EAADRO COC[C@H](O)C[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719939 787927480 /nfs/dbraw/zinc/92/74/80/787927480.db2.gz WCKQOFIRZFEXJQ-NEPJUHHUSA-N 1 0 344.412 -1.142 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719940 787928279 /nfs/dbraw/zinc/92/82/79/787928279.db2.gz WCKQOFIRZFEXJQ-RYUDHWBXSA-N 1 0 344.412 -1.142 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001178722082 787927677 /nfs/dbraw/zinc/92/76/77/787927677.db2.gz PPZKKWRXJYBJBM-VPOLOUISSA-N 1 0 339.396 -1.325 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001178735933 787929157 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349.395 -1.765 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001178736327 787929949 /nfs/dbraw/zinc/92/99/49/787929949.db2.gz VHEVWLDJBJFIJW-AXFHLTTASA-N 1 0 340.384 -2.037 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001178736328 787929710 /nfs/dbraw/zinc/92/97/10/787929710.db2.gz VHEVWLDJBJFIJW-DCAQKATOSA-N 1 0 340.384 -2.037 20 0 EAADRO CC(C)(C(N)=O)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178752695 787930955 /nfs/dbraw/zinc/93/09/55/787930955.db2.gz ZAKWFZKBRNKTKM-UHFFFAOYSA-N 1 0 329.401 -1.041 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178753141 787931136 /nfs/dbraw/zinc/93/11/36/787931136.db2.gz DWWCCIBOPKQEAN-SRVKXCTJSA-N 1 0 348.469 -1.019 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178753142 787930818 /nfs/dbraw/zinc/93/08/18/787930818.db2.gz DWWCCIBOPKQEAN-WOPDTQHZSA-N 1 0 348.469 -1.019 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178753335 787931304 /nfs/dbraw/zinc/93/13/04/787931304.db2.gz JHYFWDCDQXWOTF-AGIUHOORSA-N 1 0 331.413 -1.275 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178753336 787930237 /nfs/dbraw/zinc/93/02/37/787930237.db2.gz JHYFWDCDQXWOTF-AVGNSLFASA-N 1 0 331.413 -1.275 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178753394 787931238 /nfs/dbraw/zinc/93/12/38/787931238.db2.gz MFWSTUNEUJTMRF-GUBZILKMSA-N 1 0 343.384 -2.089 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178753395 787930488 /nfs/dbraw/zinc/93/04/88/787930488.db2.gz MFWSTUNEUJTMRF-UTLUCORTSA-N 1 0 343.384 -2.089 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178753403 787931515 /nfs/dbraw/zinc/93/15/15/787931515.db2.gz MNJBSXXPMPAXSW-DCAQKATOSA-N 1 0 334.442 -1.361 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178753404 787931086 /nfs/dbraw/zinc/93/10/86/787931086.db2.gz MNJBSXXPMPAXSW-VWYCJHECSA-N 1 0 334.442 -1.361 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178758193 787930834 /nfs/dbraw/zinc/93/08/34/787930834.db2.gz LTEGCQVVGXBFTE-DCAQKATOSA-N 1 0 341.412 -1.064 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178758194 787931315 /nfs/dbraw/zinc/93/13/15/787931315.db2.gz LTEGCQVVGXBFTE-VWYCJHECSA-N 1 0 341.412 -1.064 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178758472 787930755 /nfs/dbraw/zinc/93/07/55/787930755.db2.gz WJEBCVTVHIVIKZ-GUBZILKMSA-N 1 0 327.385 -1.325 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178758473 787931152 /nfs/dbraw/zinc/93/11/52/787931152.db2.gz WJEBCVTVHIVIKZ-UTLUCORTSA-N 1 0 327.385 -1.325 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCCNC1=O ZINC001178759989 787931385 /nfs/dbraw/zinc/93/13/85/787931385.db2.gz 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COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001178768139 787931229 /nfs/dbraw/zinc/93/12/29/787931229.db2.gz ONLCBBDTWZLKLZ-AVGNSLFASA-N 1 0 340.424 -1.051 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001178768364 787930477 /nfs/dbraw/zinc/93/04/77/787930477.db2.gz SVBDTZFRUAJAKG-CYDGBPFRSA-N 1 0 331.413 -1.276 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C ZINC001178768365 787930729 /nfs/dbraw/zinc/93/07/29/787930729.db2.gz SVBDTZFRUAJAKG-RVMXOQNASA-N 1 0 331.413 -1.276 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001178768367 787931406 /nfs/dbraw/zinc/93/14/06/787931406.db2.gz SVBDTZFRUAJAKG-VOAKCMCISA-N 1 0 331.413 -1.276 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C ZINC001178768368 787931442 /nfs/dbraw/zinc/93/14/42/787931442.db2.gz SVBDTZFRUAJAKG-XQHKEYJVSA-N 1 0 331.413 -1.276 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178768392 787931525 /nfs/dbraw/zinc/93/15/25/787931525.db2.gz UMKMNXIJVYHXEZ-SRVKXCTJSA-N 1 0 328.413 -1.195 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178768394 787930355 /nfs/dbraw/zinc/93/03/55/787930355.db2.gz UMKMNXIJVYHXEZ-WOPDTQHZSA-N 1 0 328.413 -1.195 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)[C@H]1C ZINC001178768436 787931181 /nfs/dbraw/zinc/93/11/81/787931181.db2.gz VXNFLOWKTUQVAX-SRVKXCTJSA-N 1 0 328.413 -1.147 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)[C@H]1C ZINC001178768437 787930871 /nfs/dbraw/zinc/93/08/71/787930871.db2.gz VXNFLOWKTUQVAX-WOPDTQHZSA-N 1 0 328.413 -1.147 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1C ZINC001178768529 787930459 /nfs/dbraw/zinc/93/04/59/787930459.db2.gz ZBAXTSHDAABBER-SRVKXCTJSA-N 1 0 349.453 -1.239 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1C ZINC001178768530 787930506 /nfs/dbraw/zinc/93/05/06/787930506.db2.gz ZBAXTSHDAABBER-WOPDTQHZSA-N 1 0 349.453 -1.239 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001178771203 787930307 /nfs/dbraw/zinc/93/03/07/787930307.db2.gz BMMMGOOCMQQIMF-CABZTGNLSA-N 1 0 329.422 -1.111 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C)C(=O)NC(N)=O ZINC001178771279 787931358 /nfs/dbraw/zinc/93/13/58/787931358.db2.gz DBMGMLXJOMVXIB-NRPADANISA-N 1 0 346.409 -1.807 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C)C(=O)NC(N)=O ZINC001178771282 787931261 /nfs/dbraw/zinc/93/12/61/787931261.db2.gz DBMGMLXJOMVXIB-WEDXCCLWSA-N 1 0 346.409 -1.807 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001178771536 787931039 /nfs/dbraw/zinc/93/10/39/787931039.db2.gz IJNQUIQKPOJHQZ-CBAPKCEASA-N 1 0 332.382 -2.195 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001178771733 787930964 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C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C)C(=O)N(C)C ZINC001178822179 787932084 /nfs/dbraw/zinc/93/20/84/787932084.db2.gz LURQSMJYJDABLV-WOPDTQHZSA-N 1 0 348.469 -1.067 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C ZINC001178822197 787932209 /nfs/dbraw/zinc/93/22/09/787932209.db2.gz MZNQAFMXAPLGRE-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001178822208 787932968 /nfs/dbraw/zinc/93/29/68/787932968.db2.gz NVWQXAWEFMYFKB-ONGXEEELSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN(C)S(C)(=O)=O ZINC001178822226 787932715 /nfs/dbraw/zinc/93/27/15/787932715.db2.gz OPPWGPLUMFRABT-IUCAKERBSA-N 1 0 349.413 -2.348 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C ZINC001178822381 787932075 /nfs/dbraw/zinc/93/20/75/787932075.db2.gz RDYSYZRUHOJHEQ-DCAQKATOSA-N 1 0 334.442 -1.409 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C 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COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001178829793 787931944 /nfs/dbraw/zinc/93/19/44/787931944.db2.gz GBNCGVZDSJAVBI-AAEUAGOBSA-N 1 0 340.424 -1.003 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001178829823 787932725 /nfs/dbraw/zinc/93/27/25/787932725.db2.gz HBHQJRBANGYVFB-AAEUAGOBSA-N 1 0 340.424 -1.051 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001178830071 787932961 /nfs/dbraw/zinc/93/29/61/787932961.db2.gz KDPZNJUZULBROS-SDDRHHMPSA-N 1 0 326.397 -1.393 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001178830072 787931991 /nfs/dbraw/zinc/93/19/91/787931991.db2.gz KDPZNJUZULBROS-SRVKXCTJSA-N 1 0 326.397 -1.393 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178830114 787934197 /nfs/dbraw/zinc/93/41/97/787934197.db2.gz LYMGUARPHQQUJD-UWVGGRQHSA-N 1 0 343.384 -2.087 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1C ZINC001178830119 787934093 /nfs/dbraw/zinc/93/40/93/787934093.db2.gz MCVWSEVICCUKOJ-RYUDHWBXSA-N 1 0 349.453 -1.285 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1C ZINC001178830272 787934267 /nfs/dbraw/zinc/93/42/67/787934267.db2.gz QPFKNGROJCKJEM-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178830309 787934085 /nfs/dbraw/zinc/93/40/85/787934085.db2.gz RYCRQBWWYMBFRL-RYUDHWBXSA-N 1 0 328.413 -1.194 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178830320 787934276 /nfs/dbraw/zinc/93/42/76/787934276.db2.gz SKBLQUSSGDKKKY-STQMWFEESA-N 1 0 331.413 -1.273 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC001178830357 787934189 /nfs/dbraw/zinc/93/41/89/787934189.db2.gz UMOJPSICQQYSJR-QWRGUYRKSA-N 1 0 337.380 -2.128 20 0 EAADRO CCN1C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)CC1=O ZINC001178830366 787933847 /nfs/dbraw/zinc/93/38/47/787933847.db2.gz VDOXSTILGPHKKI-AXFHLTTASA-N 1 0 339.396 -1.371 20 0 EAADRO CCN1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)CC1=O ZINC001178830367 787933328 /nfs/dbraw/zinc/93/33/28/787933328.db2.gz VDOXSTILGPHKKI-DCAQKATOSA-N 1 0 339.396 -1.371 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178830383 787933982 /nfs/dbraw/zinc/93/39/82/787933982.db2.gz VOYQNHUFBQRSOU-UWVGGRQHSA-N 1 0 343.384 -2.135 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCNC(=O)COC)[C@H]1C ZINC001178830530 787934167 /nfs/dbraw/zinc/93/41/67/787934167.db2.gz ZAXFCQWSLRPTJX-SRVKXCTJSA-N 1 0 328.413 -1.147 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCNC(=O)COC)[C@H]1C ZINC001178830531 787934246 /nfs/dbraw/zinc/93/42/46/787934246.db2.gz ZAXFCQWSLRPTJX-WOPDTQHZSA-N 1 0 328.413 -1.147 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001178830532 787934349 /nfs/dbraw/zinc/93/43/49/787934349.db2.gz ZDNLOOAADVRVRZ-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C)C(N)=O ZINC001178831958 787934225 /nfs/dbraw/zinc/93/42/25/787934225.db2.gz DXLRWTAOAMNNOE-AXFHLTTASA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C)C(N)=O ZINC001178831960 787934230 /nfs/dbraw/zinc/93/42/30/787934230.db2.gz DXLRWTAOAMNNOE-DCAQKATOSA-N 1 0 334.442 -1.231 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@@H]1C ZINC001178832122 787934218 /nfs/dbraw/zinc/93/42/18/787934218.db2.gz FNNPJVGFTDMUNE-DCAQKATOSA-N 1 0 334.442 -1.361 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@@H]1C ZINC001178832123 787934133 /nfs/dbraw/zinc/93/41/33/787934133.db2.gz FNNPJVGFTDMUNE-VWYCJHECSA-N 1 0 334.442 -1.361 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832136 787934298 /nfs/dbraw/zinc/93/42/98/787934298.db2.gz GNGSRKRZOYFTSY-RYUDHWBXSA-N 1 0 337.442 -1.486 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C)C(=O)N(C)C ZINC001178832166 787933434 /nfs/dbraw/zinc/93/34/34/787933434.db2.gz ILYPQWNRJZQWLS-SRVKXCTJSA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C)C(=O)N(C)C ZINC001178832167 787933875 /nfs/dbraw/zinc/93/38/75/787933875.db2.gz ILYPQWNRJZQWLS-WOPDTQHZSA-N 1 0 348.469 -1.019 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001178832177 787934205 /nfs/dbraw/zinc/93/42/05/787934205.db2.gz JFUKVJFLGKENDN-RYUDHWBXSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832185 787933344 /nfs/dbraw/zinc/93/33/44/787933344.db2.gz JNXSXPDPABHBTJ-DCAQKATOSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832186 787933631 /nfs/dbraw/zinc/93/36/31/787933631.db2.gz JNXSXPDPABHBTJ-GARJFASQSA-N 1 0 332.426 -1.607 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001178832194 787934425 /nfs/dbraw/zinc/93/44/25/787934425.db2.gz JZYMFVZQKZVXSP-STQMWFEESA-N 1 0 338.412 -1.038 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832207 787934233 /nfs/dbraw/zinc/93/42/33/787934233.db2.gz KTYJPLLBBHMOCM-JQWIXIFHSA-N 1 0 346.453 -1.217 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C)C(N)=O ZINC001178832318 787933451 /nfs/dbraw/zinc/93/34/51/787933451.db2.gz LTONLUUVTGXNEZ-SRVKXCTJSA-N 1 0 328.413 -1.066 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C)C(N)=O ZINC001178832319 787933695 /nfs/dbraw/zinc/93/36/95/787933695.db2.gz LTONLUUVTGXNEZ-TUAOUCFPSA-N 1 0 328.413 -1.066 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C)C(N)=O ZINC001178832333 787934163 /nfs/dbraw/zinc/93/41/63/787934163.db2.gz MHHPAMNOKGRNBZ-AXFHLTTASA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C)C(N)=O ZINC001178832334 787934304 /nfs/dbraw/zinc/93/43/04/787934304.db2.gz MHHPAMNOKGRNBZ-DCAQKATOSA-N 1 0 334.442 -1.231 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)[C@@H]1C ZINC001178832349 787933908 /nfs/dbraw/zinc/93/39/08/787933908.db2.gz NOLUSYYKZWKZAF-AVGNSLFASA-N 1 0 340.424 -1.051 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)[C@@H]1C ZINC001178832350 787934065 /nfs/dbraw/zinc/93/40/65/787934065.db2.gz NOLUSYYKZWKZAF-RWMBFGLXSA-N 1 0 340.424 -1.051 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832353 787934126 /nfs/dbraw/zinc/93/41/26/787934126.db2.gz NUCZEEMWLBMGCV-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178832354 787934362 /nfs/dbraw/zinc/93/43/62/787934362.db2.gz NUKGBVBDENXNIS-STQMWFEESA-N 1 0 331.413 -1.321 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832372 787934031 /nfs/dbraw/zinc/93/40/31/787934031.db2.gz OGKFISRYQZFFDH-RYUDHWBXSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832378 787934145 /nfs/dbraw/zinc/93/41/45/787934145.db2.gz OIVKUBVIRMWIMT-JQWIXIFHSA-N 1 0 344.441 -1.167 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001178832384 787933994 /nfs/dbraw/zinc/93/39/94/787933994.db2.gz OVJXLIASXGIWSR-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C ZINC001178832395 787933376 /nfs/dbraw/zinc/93/33/76/787933376.db2.gz OZTHIASXSNIUBK-SRVKXCTJSA-N 1 0 328.413 -1.195 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C ZINC001178832397 787934103 /nfs/dbraw/zinc/93/41/03/787934103.db2.gz OZTHIASXSNIUBK-WOPDTQHZSA-N 1 0 328.413 -1.195 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001178832531 787934183 /nfs/dbraw/zinc/93/41/83/787934183.db2.gz RGQXTHRMXALGFB-SRVKXCTJSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001178832532 787934447 /nfs/dbraw/zinc/93/44/47/787934447.db2.gz RGQXTHRMXALGFB-TUAOUCFPSA-N 1 0 337.442 -1.488 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832581 787933606 /nfs/dbraw/zinc/93/36/06/787933606.db2.gz SHJYUTOSTUBNTB-SDDRHHMPSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832582 787934185 /nfs/dbraw/zinc/93/41/85/787934185.db2.gz SHJYUTOSTUBNTB-SRVKXCTJSA-N 1 0 346.453 -1.217 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001178832583 787933557 /nfs/dbraw/zinc/93/35/57/787933557.db2.gz SHRRDLQGEFDUQU-SDDRHHMPSA-N 1 0 346.453 -1.265 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001178832584 787933948 /nfs/dbraw/zinc/93/39/48/787933948.db2.gz SHRRDLQGEFDUQU-SRVKXCTJSA-N 1 0 346.453 -1.265 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001178832589 787933645 /nfs/dbraw/zinc/93/36/45/787933645.db2.gz SKAULWVWSZBUHZ-SRVKXCTJSA-N 1 0 348.469 -1.019 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001178832591 787934290 /nfs/dbraw/zinc/93/42/90/787934290.db2.gz SKAULWVWSZBUHZ-WOPDTQHZSA-N 1 0 348.469 -1.019 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001178832592 787933674 /nfs/dbraw/zinc/93/36/74/787933674.db2.gz SOKRMYKIDHMTEQ-AVGNSLFASA-N 1 0 340.424 -1.099 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001178832593 787934037 /nfs/dbraw/zinc/93/40/37/787934037.db2.gz SOKRMYKIDHMTEQ-RWMBFGLXSA-N 1 0 340.424 -1.099 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832624 787933475 /nfs/dbraw/zinc/93/34/75/787933475.db2.gz VEYPFLHHMDDBRE-IUCAKERBSA-N 1 0 349.413 -2.300 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832625 787933487 /nfs/dbraw/zinc/93/34/87/787933487.db2.gz VKFFCBCYFKPZQY-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CCNS(C)(=O)=O 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CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001178834963 787934007 /nfs/dbraw/zinc/93/40/07/787934007.db2.gz FENWOXMKUPAIIU-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCS1(=O)=O ZINC001178835419 787934257 /nfs/dbraw/zinc/93/42/57/787934257.db2.gz NGLBVIJTYSILNK-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001178835481 787934400 /nfs/dbraw/zinc/93/44/00/787934400.db2.gz QSQBKMDFHWHSCG-AVGNSLFASA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001178835482 787934327 /nfs/dbraw/zinc/93/43/27/787934327.db2.gz QSQBKMDFHWHSCG-XQQFMLRXSA-N 1 0 349.453 -1.392 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001178835738 787934210 /nfs/dbraw/zinc/93/42/10/787934210.db2.gz UBRJVCBBCLDAEK-SRVKXCTJSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001178835739 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CC(=O)NCC(=O)NCC(=O)NCCCCCC[NH2+]C[C@H](C)O ZINC001178846868 787934931 /nfs/dbraw/zinc/93/49/31/787934931.db2.gz VTIIWPNKCIUZFG-LBPRGKRZSA-N 1 0 330.429 -1.114 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178846970 787935347 /nfs/dbraw/zinc/93/53/47/787935347.db2.gz YGQUYOMXAPNVNT-UHFFFAOYSA-N 1 0 329.401 -2.010 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178848870 787934985 /nfs/dbraw/zinc/93/49/85/787934985.db2.gz DPOZGPYEYUVZRN-UWVGGRQHSA-N 1 0 335.430 -1.956 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001178848896 787935581 /nfs/dbraw/zinc/93/55/81/787935581.db2.gz DWAVKBUDOIQQDR-SRVKXCTJSA-N 1 0 346.453 -1.071 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001178848898 787935404 /nfs/dbraw/zinc/93/54/04/787935404.db2.gz DWAVKBUDOIQQDR-TUAOUCFPSA-N 1 0 346.453 -1.071 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001178848908 787935419 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CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1C ZINC001178850427 787935228 /nfs/dbraw/zinc/93/52/28/787935228.db2.gz YNGPHAZILRHFSL-QWRGUYRKSA-N 1 0 334.442 -1.071 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C ZINC001178850448 787934871 /nfs/dbraw/zinc/93/48/71/787934871.db2.gz ZPRHRVVTXQQIJH-AVGNSLFASA-N 1 0 346.428 -1.482 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C ZINC001178850449 787935447 /nfs/dbraw/zinc/93/54/47/787935447.db2.gz ZPRHRVVTXQQIJH-XQQFMLRXSA-N 1 0 346.428 -1.482 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H]1C ZINC001178853447 787935029 /nfs/dbraw/zinc/93/50/29/787935029.db2.gz SDISZKKOVXDKFX-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H]1C ZINC001178870228 787935770 /nfs/dbraw/zinc/93/57/70/787935770.db2.gz GTXOFSIZCHPFOZ-AXFHLTTASA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H]1C ZINC001178870229 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NC(=O)C[NH2+]CCCCCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001178959425 787937131 /nfs/dbraw/zinc/93/71/31/787937131.db2.gz UAEFJVSWXQPMCV-UHFFFAOYSA-N 1 0 325.369 -1.300 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cnc[nH]c2=O)[C@H]1C)C(=O)NC(N)=O ZINC001178960934 787937436 /nfs/dbraw/zinc/93/74/36/787937436.db2.gz QPNVTTYGOQBJHK-NRPADANISA-N 1 0 336.352 -1.042 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cnc[nH]c2=O)[C@H]1C)C(=O)NC(N)=O ZINC001178960936 787936519 /nfs/dbraw/zinc/93/65/19/787936519.db2.gz QPNVTTYGOQBJHK-WEDXCCLWSA-N 1 0 336.352 -1.042 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001178961869 787936879 /nfs/dbraw/zinc/93/68/79/787936879.db2.gz CIIKYGJIKZQXNB-UHFFFAOYSA-N 1 0 339.396 -1.039 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H]1C)C(=O)NC(N)=O ZINC001178963932 787937532 /nfs/dbraw/zinc/93/75/32/787937532.db2.gz NMFWHGFHZOETOI-VPOLOUISSA-N 1 0 339.396 -1.183 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H]1C)C(=O)NC(N)=O 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UHCXUUPJSXRYGT-UWVGGRQHSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCS(C)(=O)=O ZINC001179005812 787938038 /nfs/dbraw/zinc/93/80/38/787938038.db2.gz ZWURZXCZNDVYCM-IUCAKERBSA-N 1 0 334.398 -1.805 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179009163 787938659 /nfs/dbraw/zinc/93/86/59/787938659.db2.gz ALZANCZNRGRLCR-JQWIXIFHSA-N 1 0 341.412 -2.094 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179009168 787938115 /nfs/dbraw/zinc/93/81/15/787938115.db2.gz AQWFWZYZUUHBQS-SDDRHHMPSA-N 1 0 347.437 -1.485 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179009169 787938237 /nfs/dbraw/zinc/93/82/37/787938237.db2.gz AQWFWZYZUUHBQS-SRVKXCTJSA-N 1 0 347.437 -1.485 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001179009222 787938376 /nfs/dbraw/zinc/93/83/76/787938376.db2.gz CZYCYQHPXTZPPH-JQWIXIFHSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179009561 787938168 /nfs/dbraw/zinc/93/81/68/787938168.db2.gz KOYFMSFOOHORHO-DLOVCJGASA-N 1 0 339.396 -2.294 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179009562 787938386 /nfs/dbraw/zinc/93/83/86/787938386.db2.gz KOYFMSFOOHORHO-ZMLRMANQSA-N 1 0 339.396 -2.294 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179009567 787938279 /nfs/dbraw/zinc/93/82/79/787938279.db2.gz KSJHGDVBTFQOLK-DCAQKATOSA-N 1 0 335.426 -1.500 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179009568 787938628 /nfs/dbraw/zinc/93/86/28/787938628.db2.gz KSJHGDVBTFQOLK-VWYCJHECSA-N 1 0 335.426 -1.500 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C ZINC001179009595 787938677 /nfs/dbraw/zinc/93/86/77/787938677.db2.gz MBVHNSAMCBIZFE-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001179009650 787938397 /nfs/dbraw/zinc/93/83/97/787938397.db2.gz OCEFDVBBBJLYNK-ONGXEEELSA-N 1 0 335.364 -1.227 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C ZINC001179009758 787938577 /nfs/dbraw/zinc/93/85/77/787938577.db2.gz OZLAVPURJJZMAH-QWRGUYRKSA-N 1 0 335.426 -1.627 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179009815 787938354 /nfs/dbraw/zinc/93/83/54/787938354.db2.gz RMFLFVGWBDLRGT-RYUDHWBXSA-N 1 0 349.453 -1.285 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C ZINC001179009845 787938651 /nfs/dbraw/zinc/93/86/51/787938651.db2.gz SMOHMBLFPIOAOP-SRVKXCTJSA-N 1 0 349.453 -1.239 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C ZINC001179009846 787938918 /nfs/dbraw/zinc/93/89/18/787938918.db2.gz SMOHMBLFPIOAOP-WOPDTQHZSA-N 1 0 349.453 -1.239 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001179010167 787938785 /nfs/dbraw/zinc/93/87/85/787938785.db2.gz UDGAQRADCVQAGJ-ONGXEEELSA-N 1 0 327.385 -2.436 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C)C(N)=O ZINC001179010198 787938320 /nfs/dbraw/zinc/93/83/20/787938320.db2.gz VASKSTKRTRTCCW-SRVKXCTJSA-N 1 0 349.453 -1.110 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C)C(N)=O ZINC001179010199 787938507 /nfs/dbraw/zinc/93/85/07/787938507.db2.gz VASKSTKRTRTCCW-TUAOUCFPSA-N 1 0 349.453 -1.110 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC001179010368 787938487 /nfs/dbraw/zinc/93/84/87/787938487.db2.gz ZSGJKMFIJPCVBE-WPRPVWTQSA-N 1 0 344.393 -1.134 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@H]1C ZINC001179014036 787938760 /nfs/dbraw/zinc/93/87/60/787938760.db2.gz DWDDXPDMPLEGHD-AXFHLTTASA-N 1 0 336.396 -1.129 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@H]1C ZINC001179014037 787938420 /nfs/dbraw/zinc/93/84/20/787938420.db2.gz DWDDXPDMPLEGHD-DCAQKATOSA-N 1 0 336.396 -1.129 20 0 EAADRO 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C[C@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001179045079 787938478 /nfs/dbraw/zinc/93/84/78/787938478.db2.gz AJIWBLVPRDAWOD-UWVGGRQHSA-N 1 0 335.368 -1.061 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC001179045494 787938791 /nfs/dbraw/zinc/93/87/91/787938791.db2.gz KQAITAXQJBZWGH-UWVGGRQHSA-N 1 0 330.414 -1.063 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)CCN1C(=O)c1cn[nH]n1 ZINC001179050239 787938311 /nfs/dbraw/zinc/93/83/11/787938311.db2.gz TXJOGTJCMZACRI-WPRPVWTQSA-N 1 0 335.368 -1.015 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001179055739 787938495 /nfs/dbraw/zinc/93/84/95/787938495.db2.gz ACUYNVORRIMZFF-ONGXEEELSA-N 1 0 335.364 -1.227 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001179055805 787938906 /nfs/dbraw/zinc/93/89/06/787938906.db2.gz DRYJIXZDFIUWMW-SRVKXCTJSA-N 1 0 336.396 -1.019 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCNC2=O)[C@H]1C ZINC001179055847 787938346 /nfs/dbraw/zinc/93/83/46/787938346.db2.gz HBUWBGUHMVAVQU-AVGNSLFASA-N 1 0 328.413 -1.012 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCNC2=O)[C@H]1C ZINC001179055848 787937940 /nfs/dbraw/zinc/93/79/40/787937940.db2.gz HBUWBGUHMVAVQU-XQQFMLRXSA-N 1 0 328.413 -1.012 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)[C@H]1C ZINC001179055855 787938768 /nfs/dbraw/zinc/93/87/68/787938768.db2.gz HOLVEXUJOSKOGD-STQMWFEESA-N 1 0 341.456 -1.232 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCCNC1=O ZINC001179055933 787938893 /nfs/dbraw/zinc/93/88/93/787938893.db2.gz LQNFSSDKDAPFMP-UWVGGRQHSA-N 1 0 340.384 -1.824 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179056230 787938445 /nfs/dbraw/zinc/93/84/45/787938445.db2.gz QLKLNBLANXMAFG-RYUDHWBXSA-N 1 0 327.429 -1.493 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCCCC1=O ZINC001179056369 787938336 /nfs/dbraw/zinc/93/83/36/787938336.db2.gz RZVQGOVWPSPRHQ-QWRGUYRKSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCNC1=O ZINC001179056375 787938562 /nfs/dbraw/zinc/93/85/62/787938562.db2.gz SIBZNTUOTUTNPO-STQMWFEESA-N 1 0 328.413 -1.010 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)c1cn[nH]n1 ZINC001179056396 787938218 /nfs/dbraw/zinc/93/82/18/787938218.db2.gz UEHYORUMRPNMEZ-UWVGGRQHSA-N 1 0 330.414 -1.111 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC001179060042 787938137 /nfs/dbraw/zinc/93/81/37/787938137.db2.gz QWZYFBCKSLGDMW-IUCAKERBSA-N 1 0 344.393 -1.134 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179064982 787939554 /nfs/dbraw/zinc/93/95/54/787939554.db2.gz NIMFBFUBJMHBRU-AGIUHOORSA-N 1 0 341.456 -1.104 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179064983 787940311 /nfs/dbraw/zinc/94/03/11/787940311.db2.gz NIMFBFUBJMHBRU-AVGNSLFASA-N 1 0 341.456 -1.104 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCCCNC(N)=O ZINC001179086670 787939469 /nfs/dbraw/zinc/93/94/69/787939469.db2.gz FAHWLRRHJWLIEW-UWVGGRQHSA-N 1 0 342.400 -1.401 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001179086932 787939759 /nfs/dbraw/zinc/93/97/59/787939759.db2.gz GRJZRPVZXKDDMB-SRVKXCTJSA-N 1 0 340.380 -1.465 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001179086933 787939822 /nfs/dbraw/zinc/93/98/22/787939822.db2.gz GRJZRPVZXKDDMB-TUAOUCFPSA-N 1 0 340.380 -1.465 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001179086997 787940156 /nfs/dbraw/zinc/94/01/56/787940156.db2.gz KFLQIWPYHNRLJN-QWRGUYRKSA-N 1 0 337.380 -1.384 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001179087001 787940204 /nfs/dbraw/zinc/94/02/04/787940204.db2.gz KSIDKPDGGNVDPK-RYUDHWBXSA-N 1 0 340.380 -1.463 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001179087184 787939589 /nfs/dbraw/zinc/93/95/89/787939589.db2.gz LFJKVEVODAKSAN-JQWIXIFHSA-N 1 0 349.391 -1.194 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001179087266 787939883 /nfs/dbraw/zinc/93/98/83/787939883.db2.gz PGIIQJLJFSZYRB-DCAQKATOSA-N 1 0 337.380 -1.338 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001179087267 787940303 /nfs/dbraw/zinc/94/03/03/787940303.db2.gz PGIIQJLJFSZYRB-VWYCJHECSA-N 1 0 337.380 -1.338 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001179087731 787940116 /nfs/dbraw/zinc/94/01/16/787940116.db2.gz WZGYFQYTXJTSNE-QWRGUYRKSA-N 1 0 337.380 -1.336 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001179096366 787939650 /nfs/dbraw/zinc/93/96/50/787939650.db2.gz JBSCWIIJTRHITN-AEJSXWLSSA-N 1 0 346.409 -1.805 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001179096367 787939413 /nfs/dbraw/zinc/93/94/13/787939413.db2.gz JBSCWIIJTRHITN-GUBZILKMSA-N 1 0 346.409 -1.805 20 0 EAADRO C[C@@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179097276 787939772 /nfs/dbraw/zinc/93/97/72/787939772.db2.gz FJCWPXQBMCSJFC-NEPJUHHUSA-N 1 0 349.453 -1.453 20 0 EAADRO C[C@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179097277 787939512 /nfs/dbraw/zinc/93/95/12/787939512.db2.gz FJCWPXQBMCSJFC-RYUDHWBXSA-N 1 0 349.453 -1.453 20 0 EAADRO COCC[NH2+]CCCCCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179097679 787940233 /nfs/dbraw/zinc/94/02/33/787940233.db2.gz OAYHHGKIZCSPAG-LBPRGKRZSA-N 1 0 349.453 -1.188 20 0 EAADRO O=C(NCCCCCC[NH2+]CCO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179097751 787939748 /nfs/dbraw/zinc/93/97/48/787939748.db2.gz SIPAGLQAUDZNJQ-NSHDSACASA-N 1 0 335.426 -1.842 20 0 EAADRO O=C(NCCCCCC[NH2+]CCCO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179097769 787939541 /nfs/dbraw/zinc/93/95/41/787939541.db2.gz SUAMIFUUELYQJC-LBPRGKRZSA-N 1 0 349.453 -1.452 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@H]1CCCC(=O)N1 ZINC001179103234 787941048 /nfs/dbraw/zinc/94/10/48/787941048.db2.gz AUMUBFOLDZNOBV-AXFHLTTASA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@@H]1CCCC(=O)N1 ZINC001179103235 787941832 /nfs/dbraw/zinc/94/18/32/787941832.db2.gz AUMUBFOLDZNOBV-DCAQKATOSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001179103460 787941141 /nfs/dbraw/zinc/94/11/41/787941141.db2.gz HCUXWVWGICMQBV-YUMQZZPRSA-N 1 0 337.336 -1.234 20 0 EAADRO NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179106094 787941159 /nfs/dbraw/zinc/94/11/59/787941159.db2.gz MMVISKZPFGQCPS-JTQLQIEISA-N 1 0 348.425 -2.349 20 0 EAADRO COc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)nn1C ZINC001179108701 787941948 /nfs/dbraw/zinc/94/19/48/787941948.db2.gz FJWDXHRNHXKQHK-IUCAKERBSA-N 1 0 338.368 -1.184 20 0 EAADRO COc1cnc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)nc1 ZINC001179108806 787940904 /nfs/dbraw/zinc/94/09/04/787940904.db2.gz KGBHZIGSQMDNQZ-WPRPVWTQSA-N 1 0 336.352 -1.127 20 0 EAADRO C[C@@]1(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CNC(=O)C1 ZINC001179112557 787941652 /nfs/dbraw/zinc/94/16/52/787941652.db2.gz OCBKJOZGFOCLKG-HNNXBMFYSA-N 1 0 341.412 -1.026 20 0 EAADRO C[C@]1(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CNC(=O)C1 ZINC001179112558 787940688 /nfs/dbraw/zinc/94/06/88/787940688.db2.gz OCBKJOZGFOCLKG-OAHLLOKOSA-N 1 0 341.412 -1.026 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cn(C)ccc1=O ZINC001179114574 787941205 /nfs/dbraw/zinc/94/12/05/787941205.db2.gz YDYWYZOQRKLCBL-ONGXEEELSA-N 1 0 335.364 -1.227 20 0 EAADRO COc1nccc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)n1 ZINC001179117396 787941855 /nfs/dbraw/zinc/94/18/55/787941855.db2.gz DMMYBGHDWQXQGM-IUCAKERBSA-N 1 0 336.352 -1.127 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001179126398 787941287 /nfs/dbraw/zinc/94/12/87/787941287.db2.gz BSHMKYBYMVNWBW-CBAPKCEASA-N 1 0 346.351 -1.260 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CCn1ncn(C)c1=O ZINC001179128845 787941571 /nfs/dbraw/zinc/94/15/71/787941571.db2.gz DGIJANWJHPLWGL-UHFFFAOYSA-N 1 0 340.428 -1.016 20 0 EAADRO Cn1cnn(CCC(=O)NCCCCCC[NH2+]CC(N)=O)c1=O ZINC001179129320 787940953 /nfs/dbraw/zinc/94/09/53/787940953.db2.gz RNMCYGBKXFJRQQ-UHFFFAOYSA-N 1 0 326.401 -1.277 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccc2nnnn2c1 ZINC001179136285 787941183 /nfs/dbraw/zinc/94/11/83/787941183.db2.gz VQCGDNFIQOAXPK-WPRPVWTQSA-N 1 0 346.351 -1.488 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001179138559 787941616 /nfs/dbraw/zinc/94/16/16/787941616.db2.gz AGIROKNVOUZMBD-JTQLQIEISA-N 1 0 337.446 -1.820 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001179138567 787941531 /nfs/dbraw/zinc/94/15/31/787941531.db2.gz AGIROKNVOUZMBD-SNVBAGLBSA-N 1 0 337.446 -1.820 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCCCCC[NH2+]Cc1cnon1 ZINC001179139816 787940819 /nfs/dbraw/zinc/94/08/19/787940819.db2.gz QMXABJBFNMOTSK-UHFFFAOYSA-N 1 0 348.429 -1.110 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CNS(=O)(=O)NC ZINC001179139866 787941415 /nfs/dbraw/zinc/94/14/15/787941415.db2.gz SIGFUQLZCWNLNK-UHFFFAOYSA-N 1 0 337.446 -1.948 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001179140345 787941808 /nfs/dbraw/zinc/94/18/08/787941808.db2.gz ZYYXRSFEMWIKHO-LLVKDONJSA-N 1 0 349.457 -1.805 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001179140347 787940965 /nfs/dbraw/zinc/94/09/65/787940965.db2.gz ZYYXRSFEMWIKHO-NSHDSACASA-N 1 0 349.457 -1.805 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001179146122 787941728 /nfs/dbraw/zinc/94/17/28/787941728.db2.gz OYLCRVNXNGQIJN-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC001179179146 787940922 /nfs/dbraw/zinc/94/09/22/787940922.db2.gz JZRDCVMQYGPODO-IUCAKERBSA-N 1 0 336.352 -1.832 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179196613 787940712 /nfs/dbraw/zinc/94/07/12/787940712.db2.gz AIDZEMFMJZJORC-DCAQKATOSA-N 1 0 335.401 -1.162 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001179196780 787940761 /nfs/dbraw/zinc/94/07/61/787940761.db2.gz DUTWMTUGQGLIIT-DCAQKATOSA-N 1 0 333.410 -2.139 20 0 EAADRO CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197051 787941762 /nfs/dbraw/zinc/94/17/62/787941762.db2.gz JZPVPPFDAFYGCW-BJDJZHNGSA-N 1 0 347.437 -1.487 20 0 EAADRO CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197052 787941013 /nfs/dbraw/zinc/94/10/13/787941013.db2.gz JZPVPPFDAFYGCW-RHYQMDGZSA-N 1 0 347.437 -1.487 20 0 EAADRO CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197183 787941381 /nfs/dbraw/zinc/94/13/81/787941381.db2.gz RAWARSABFHKQSA-SRVKXCTJSA-N 1 0 347.437 -1.485 20 0 EAADRO COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197216 787941842 /nfs/dbraw/zinc/94/18/42/787941842.db2.gz SMIGJJBPVLRTBP-DCAQKATOSA-N 1 0 333.410 -1.875 20 0 EAADRO COC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197239 787941892 /nfs/dbraw/zinc/94/18/92/787941892.db2.gz UKGRIZDZNVTRFY-BJDJZHNGSA-N 1 0 347.437 -1.487 20 0 EAADRO COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197240 787940991 /nfs/dbraw/zinc/94/09/91/787940991.db2.gz UKGRIZDZNVTRFY-RHYQMDGZSA-N 1 0 347.437 -1.487 20 0 EAADRO COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197279 787941367 /nfs/dbraw/zinc/94/13/67/787941367.db2.gz WRLQVCBYYZIUNT-SRVKXCTJSA-N 1 0 347.437 -1.485 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)nn1 ZINC001179197316 787940735 /nfs/dbraw/zinc/94/07/35/787940735.db2.gz YPSPQAHIHCQAIN-ONGXEEELSA-N 1 0 337.384 -1.386 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001179197331 787941600 /nfs/dbraw/zinc/94/16/00/787941600.db2.gz ZJMWXNCNQGFBMB-GUBZILKMSA-N 1 0 346.409 -2.775 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)NCCCCCC[NH2+]CC(N)=O)c1=O ZINC001179208036 787940840 /nfs/dbraw/zinc/94/08/40/787940840.db2.gz GZIOVYFGMGCBDM-UHFFFAOYSA-N 1 0 325.369 -1.149 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CCn1ncn(C)c1=O ZINC001179209244 787941022 /nfs/dbraw/zinc/94/10/22/787941022.db2.gz AKSRLSDLKJZQMG-RYUDHWBXSA-N 1 0 338.412 -1.361 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CCn1ncn(C)c1=O ZINC001179209494 787941640 /nfs/dbraw/zinc/94/16/40/787941640.db2.gz IDLBNCICEKCAEQ-STQMWFEESA-N 1 0 341.412 -1.440 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C ZINC001179209651 787941487 /nfs/dbraw/zinc/94/14/87/787941487.db2.gz KNENTUUFCGMKGQ-RYUDHWBXSA-N 1 0 338.412 -1.313 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001179209705 787941472 /nfs/dbraw/zinc/94/14/72/787941472.db2.gz NKXNMYKXJPEGQL-CBAPKCEASA-N 1 0 337.336 -1.234 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C ZINC001179209723 787941647 /nfs/dbraw/zinc/94/16/47/787941647.db2.gz ODSSLXPUZGTYCI-AVGNSLFASA-N 1 0 341.412 -1.442 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C ZINC001179209724 787941065 /nfs/dbraw/zinc/94/10/65/787941065.db2.gz ODSSLXPUZGTYCI-XQQFMLRXSA-N 1 0 341.412 -1.442 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC001179210118 787941322 /nfs/dbraw/zinc/94/13/22/787941322.db2.gz XOWNTZLZEMTRDG-JQWIXIFHSA-N 1 0 344.379 -1.004 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C ZINC001179214044 787940862 /nfs/dbraw/zinc/94/08/62/787940862.db2.gz MLLYZOAVAWGSOZ-DLOVCJGASA-N 1 0 334.380 -1.310 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C ZINC001179214193 787941772 /nfs/dbraw/zinc/94/17/72/787941772.db2.gz QIZSROICLCYLNC-SRVKXCTJSA-N 1 0 338.412 -1.315 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C ZINC001179214195 787940886 /nfs/dbraw/zinc/94/08/86/787940886.db2.gz QIZSROICLCYLNC-WOPDTQHZSA-N 1 0 338.412 -1.315 20 0 EAADRO CC[C@@H]([NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001179218617 787941913 /nfs/dbraw/zinc/94/19/13/787941913.db2.gz CAXOOKLZXUNMSS-CYBMUJFWSA-N 1 0 341.456 -1.052 20 0 EAADRO CC[C@H]([NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001179218621 787941660 /nfs/dbraw/zinc/94/16/60/787941660.db2.gz CAXOOKLZXUNMSS-ZDUSSCGKSA-N 1 0 341.456 -1.052 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001179218956 787941163 /nfs/dbraw/zinc/94/11/63/787941163.db2.gz FLUATHPWPLEFRI-GFCCVEGCSA-N 1 0 327.429 -1.442 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001179218957 787941788 /nfs/dbraw/zinc/94/17/88/787941788.db2.gz FLUATHPWPLEFRI-LBPRGKRZSA-N 1 0 327.429 -1.442 20 0 EAADRO O=C(CN1CCNC(=O)C1)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001179219204 787941699 /nfs/dbraw/zinc/94/16/99/787941699.db2.gz GRUSMXVJQOBSPH-CYBMUJFWSA-N 1 0 339.440 -1.427 20 0 EAADRO O=C(CN1CCNC(=O)C1)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001179219205 787940776 /nfs/dbraw/zinc/94/07/76/787940776.db2.gz GRUSMXVJQOBSPH-ZDUSSCGKSA-N 1 0 339.440 -1.427 20 0 EAADRO CCNC(=O)C[NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1 ZINC001179219217 787941877 /nfs/dbraw/zinc/94/18/77/787941877.db2.gz HTFNKDICIYNYIM-UHFFFAOYSA-N 1 0 341.456 -1.180 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1 ZINC001179219230 787941907 /nfs/dbraw/zinc/94/19/07/787941907.db2.gz IERLOTURTOJANU-UHFFFAOYSA-N 1 0 341.456 -1.227 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1 ZINC001179219306 787941815 /nfs/dbraw/zinc/94/18/15/787941815.db2.gz JZKBMNMSJITOOH-CYBMUJFWSA-N 1 0 341.456 -1.181 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1 ZINC001179219308 787941590 /nfs/dbraw/zinc/94/15/90/787941590.db2.gz JZKBMNMSJITOOH-ZDUSSCGKSA-N 1 0 341.456 -1.181 20 0 EAADRO O=C(CN1CCNC(=O)C1)NCCCCCC[NH2+]CCOCCO ZINC001179219656 787941934 /nfs/dbraw/zinc/94/19/34/787941934.db2.gz KSGIPRVLWKLKRT-UHFFFAOYSA-N 1 0 344.456 -1.307 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1 ZINC001179220740 787941515 /nfs/dbraw/zinc/94/15/15/787941515.db2.gz VEIWDGVPLXYDJZ-UHFFFAOYSA-N 1 0 327.429 -1.570 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1 ZINC001179220808 787940851 /nfs/dbraw/zinc/94/08/51/787940851.db2.gz WTEWHYZAGXNPQO-AWEZNQCLSA-N 1 0 344.456 -1.308 20 0 EAADRO COC[C@H](O)C[NH2+]CCCCCCNC(=O)CN1CCNC(=O)C1 ZINC001179220811 787941754 /nfs/dbraw/zinc/94/17/54/787941754.db2.gz WTEWHYZAGXNPQO-CQSZACIVSA-N 1 0 344.456 -1.308 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179225986 787941343 /nfs/dbraw/zinc/94/13/43/787941343.db2.gz MSKKYFAPUDRBGQ-JTQLQIEISA-N 1 0 329.401 -1.041 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179225987 787941073 /nfs/dbraw/zinc/94/10/73/787941073.db2.gz MSKKYFAPUDRBGQ-SNVBAGLBSA-N 1 0 329.401 -1.041 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCNC1=O ZINC001179229818 787940660 /nfs/dbraw/zinc/94/06/60/787940660.db2.gz BMIVHJDVTCVXPE-JTQLQIEISA-N 1 0 327.385 -1.416 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCNC1=O ZINC001179229827 787941252 /nfs/dbraw/zinc/94/12/52/787941252.db2.gz BMIVHJDVTCVXPE-SNVBAGLBSA-N 1 0 327.385 -1.416 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@H]1CCNC1=O ZINC001179229967 787941707 /nfs/dbraw/zinc/94/17/07/787941707.db2.gz DLQUVXXRWKCMBP-GFCCVEGCSA-N 1 0 348.469 -1.062 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1CCNC1=O ZINC001179229968 787940627 /nfs/dbraw/zinc/94/06/27/787940627.db2.gz DLQUVXXRWKCMBP-LBPRGKRZSA-N 1 0 348.469 -1.062 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCNC(=O)CC1 ZINC001179230079 787941520 /nfs/dbraw/zinc/94/15/20/787941520.db2.gz IWRNUBJLPOLPKB-AXFHLTTASA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCNC(=O)CC1 ZINC001179230082 787941447 /nfs/dbraw/zinc/94/14/47/787941447.db2.gz IWRNUBJLPOLPKB-DCAQKATOSA-N 1 0 339.396 -1.323 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C)S(N)(=O)=O ZINC001179230702 787941716 /nfs/dbraw/zinc/94/17/16/787941716.db2.gz RWRPXXFOQPERKZ-DCAQKATOSA-N 1 0 334.442 -1.231 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C)S(N)(=O)=O ZINC001179230703 787941224 /nfs/dbraw/zinc/94/12/24/787941224.db2.gz RWRPXXFOQPERKZ-GARJFASQSA-N 1 0 334.442 -1.231 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCNC1=O ZINC001179230794 787941263 /nfs/dbraw/zinc/94/12/63/787941263.db2.gz QLGZDWSNVYIYSD-LLVKDONJSA-N 1 0 341.412 -1.156 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCNC1=O ZINC001179230795 787941849 /nfs/dbraw/zinc/94/18/49/787941849.db2.gz QLGZDWSNVYIYSD-NSHDSACASA-N 1 0 341.412 -1.156 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCNC1=O)C(=O)NC(N)=O ZINC001179234893 787941583 /nfs/dbraw/zinc/94/15/83/787941583.db2.gz AINWFDOGLISWJM-GHMZBOCLSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(N)=O ZINC001179234894 787941824 /nfs/dbraw/zinc/94/18/24/787941824.db2.gz AINWFDOGLISWJM-MNOVXSKESA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(N)=O ZINC001179234895 787940644 /nfs/dbraw/zinc/94/06/44/787940644.db2.gz AINWFDOGLISWJM-QWRGUYRKSA-N 1 0 341.412 -1.028 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCNC1=O)C(=O)NC(N)=O ZINC001179234896 787941745 /nfs/dbraw/zinc/94/17/45/787941745.db2.gz AINWFDOGLISWJM-WDEREUQCSA-N 1 0 341.412 -1.028 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179238842 787941349 /nfs/dbraw/zinc/94/13/49/787941349.db2.gz CCRSFFKLOMTQFW-QWRGUYRKSA-N 1 0 349.457 -1.903 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nccn2C)[C@@H]1C ZINC001179238957 787943139 /nfs/dbraw/zinc/94/31/39/787943139.db2.gz IMCYESPCVWWXCA-QWRGUYRKSA-N 1 0 344.441 -1.447 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001179239010 787942799 /nfs/dbraw/zinc/94/27/99/787942799.db2.gz LNLXQEXOTAETMM-JQWIXIFHSA-N 1 0 344.441 -1.447 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001179239021 787942906 /nfs/dbraw/zinc/94/29/06/787942906.db2.gz LZRNPPRKCNLSHY-QWRGUYRKSA-N 1 0 347.441 -2.149 20 0 EAADRO CN1C[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)NC1=O ZINC001179239824 787942541 /nfs/dbraw/zinc/94/25/41/787942541.db2.gz NWTYNQAMPAIDRL-JTQLQIEISA-N 1 0 342.400 -1.529 20 0 EAADRO CN1C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)NC1=O ZINC001179239830 787943587 /nfs/dbraw/zinc/94/35/87/787943587.db2.gz NWTYNQAMPAIDRL-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO CN1C[C@H](C(=O)NCCCCCC[NH2+]Cc2nnnn2C)NC1=O ZINC001179240066 787942760 /nfs/dbraw/zinc/94/27/60/787942760.db2.gz UCMYWJMXNYRHPP-LLVKDONJSA-N 1 0 338.416 -1.000 20 0 EAADRO CN1C[C@@H](C(=O)NCCCCCC[NH2+]Cc2nnnn2C)NC1=O ZINC001179240067 787943428 /nfs/dbraw/zinc/94/34/28/787943428.db2.gz UCMYWJMXNYRHPP-NSHDSACASA-N 1 0 338.416 -1.000 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccn(C)n2)[C@@H]1C ZINC001179244727 787943285 /nfs/dbraw/zinc/94/32/85/787943285.db2.gz DKOIJQDTBMERQA-JQWIXIFHSA-N 1 0 344.441 -1.447 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H]1C ZINC001179244812 787942449 /nfs/dbraw/zinc/94/24/49/787942449.db2.gz FSRRAXGDNCHHNN-ONGXEEELSA-N 1 0 345.429 -2.052 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179245005 787943508 /nfs/dbraw/zinc/94/35/08/787943508.db2.gz KFISNLXJPVGIDR-UWVGGRQHSA-N 1 0 335.430 -2.245 20 0 EAADRO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179245016 787942787 /nfs/dbraw/zinc/94/27/87/787942787.db2.gz KUPYPADPRJTYGF-QWRGUYRKSA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001179245067 787942643 /nfs/dbraw/zinc/94/26/43/787942643.db2.gz OMSQXWYTOHCVNR-JQWIXIFHSA-N 1 0 344.441 -1.447 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001179245081 787942877 /nfs/dbraw/zinc/94/28/77/787942877.db2.gz PDYBJVXWRHRQKW-JQWIXIFHSA-N 1 0 344.441 -1.447 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179245145 787943632 /nfs/dbraw/zinc/94/36/32/787943632.db2.gz PSRCTTGJDMZZAI-UWVGGRQHSA-N 1 0 335.430 -2.293 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)[C@@H]1C ZINC001179245194 787943029 /nfs/dbraw/zinc/94/30/29/787943029.db2.gz SCZFHFGWVNZETG-DCAQKATOSA-N 1 0 347.441 -2.102 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)[C@@H]1C ZINC001179245195 787942656 /nfs/dbraw/zinc/94/26/56/787942656.db2.gz SCZFHFGWVNZETG-GARJFASQSA-N 1 0 347.441 -2.102 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179245284 787943648 /nfs/dbraw/zinc/94/36/48/787943648.db2.gz XCBMJXMYAGVVER-GUBZILKMSA-N 1 0 333.414 -2.492 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179245285 787943491 /nfs/dbraw/zinc/94/34/91/787943491.db2.gz XCBMJXMYAGVVER-LPEHRKFASA-N 1 0 333.414 -2.492 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001179245327 787943563 /nfs/dbraw/zinc/94/35/63/787943563.db2.gz ZLNPLNFCEQTJEC-ONGXEEELSA-N 1 0 347.441 -2.102 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C ZINC001179245333 787943476 /nfs/dbraw/zinc/94/34/76/787943476.db2.gz ZRTHPAIOEBDOPT-QWRGUYRKSA-N 1 0 349.457 -1.856 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001179245536 787943472 /nfs/dbraw/zinc/94/34/72/787943472.db2.gz KQMDXQMQEMNKAG-GHMZBOCLSA-N 1 0 341.412 -1.041 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001179245537 787942825 /nfs/dbraw/zinc/94/28/25/787942825.db2.gz KQMDXQMQEMNKAG-MNOVXSKESA-N 1 0 341.412 -1.041 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001179245538 787942509 /nfs/dbraw/zinc/94/25/09/787942509.db2.gz KQMDXQMQEMNKAG-QWRGUYRKSA-N 1 0 341.412 -1.041 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001179245639 787942527 /nfs/dbraw/zinc/94/25/27/787942527.db2.gz KQMDXQMQEMNKAG-WDEREUQCSA-N 1 0 341.412 -1.041 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001179247948 787942737 /nfs/dbraw/zinc/94/27/37/787942737.db2.gz BFFZUSQLCPCOED-DCAQKATOSA-N 1 0 347.441 -2.150 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001179247955 787942690 /nfs/dbraw/zinc/94/26/90/787942690.db2.gz BFFZUSQLCPCOED-GARJFASQSA-N 1 0 347.441 -2.150 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001179248023 787943449 /nfs/dbraw/zinc/94/34/49/787943449.db2.gz CLCAEFPJBMWTTK-QWRGUYRKSA-N 1 0 345.429 -2.089 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]1C ZINC001179248260 787942777 /nfs/dbraw/zinc/94/27/77/787942777.db2.gz DVBMYSSZPJICMX-SRVKXCTJSA-N 1 0 334.442 -1.344 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@H]2CCOC2)[C@@H]1C ZINC001179248262 787942753 /nfs/dbraw/zinc/94/27/53/787942753.db2.gz DVBMYSSZPJICMX-TUAOUCFPSA-N 1 0 334.442 -1.344 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnns2)[C@@H]1C ZINC001179248271 787943683 /nfs/dbraw/zinc/94/36/83/787943683.db2.gz FDNMSEIOBCAMMY-WPRPVWTQSA-N 1 0 348.454 -1.329 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CCC[C@H](C)O)[C@@H]1C ZINC001179248546 787942852 /nfs/dbraw/zinc/94/28/52/787942852.db2.gz ISTZMJDWHKPYJS-SRVKXCTJSA-N 1 0 336.458 -1.220 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CCC[C@@H](C)O)[C@@H]1C ZINC001179248547 787943359 /nfs/dbraw/zinc/94/33/59/787943359.db2.gz ISTZMJDWHKPYJS-WOPDTQHZSA-N 1 0 336.458 -1.220 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179248560 787943384 /nfs/dbraw/zinc/94/33/84/787943384.db2.gz JMDQAEAXCQCJAU-GUBZILKMSA-N 1 0 335.430 -2.246 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179248561 787942891 /nfs/dbraw/zinc/94/28/91/787942891.db2.gz JMDQAEAXCQCJAU-UTLUCORTSA-N 1 0 335.430 -2.246 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C)C(N)=O ZINC001179248574 787942713 /nfs/dbraw/zinc/94/27/13/787942713.db2.gz JTTUVXBGZSSJBK-AEJSXWLSSA-N 1 0 335.430 -2.117 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C)C(N)=O ZINC001179248575 787943581 /nfs/dbraw/zinc/94/35/81/787943581.db2.gz JTTUVXBGZSSJBK-GUBZILKMSA-N 1 0 335.430 -2.117 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001179248958 787942320 /nfs/dbraw/zinc/94/23/20/787942320.db2.gz PKMGRFFCELHWHU-RYUDHWBXSA-N 1 0 344.441 -1.484 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C ZINC001179249111 787942414 /nfs/dbraw/zinc/94/24/14/787942414.db2.gz RRQGUDPDEJUPHC-AXFHLTTASA-N 1 0 338.430 -2.374 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001179249112 787942533 /nfs/dbraw/zinc/94/25/33/787942533.db2.gz RRQGUDPDEJUPHC-DCAQKATOSA-N 1 0 338.430 -2.374 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179249314 787942948 /nfs/dbraw/zinc/94/29/48/787942948.db2.gz VXSOROAPNYREQO-DCAQKATOSA-N 1 0 349.457 -1.904 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179249315 787943658 /nfs/dbraw/zinc/94/36/58/787943658.db2.gz VXSOROAPNYREQO-VWYCJHECSA-N 1 0 349.457 -1.904 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001179249353 787943522 /nfs/dbraw/zinc/94/35/22/787943522.db2.gz XILXJJLUBIFFOV-QWRGUYRKSA-N 1 0 338.430 -2.372 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC001179264518 787943396 /nfs/dbraw/zinc/94/33/96/787943396.db2.gz POTXMZHWSYPUFS-WPRPVWTQSA-N 1 0 347.383 -1.368 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC001179275683 787944111 /nfs/dbraw/zinc/94/41/11/787944111.db2.gz SDKPEJFYHVRPOP-RYUDHWBXSA-N 1 0 346.391 -1.179 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179285483 787943161 /nfs/dbraw/zinc/94/31/61/787943161.db2.gz WBMWEAGKLAYQOL-UWVGGRQHSA-N 1 0 330.414 -1.145 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccn2nnnc2c1 ZINC001179290267 787942477 /nfs/dbraw/zinc/94/24/77/787942477.db2.gz VZVLDDUSMFCFAL-WPRPVWTQSA-N 1 0 346.351 -1.488 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCNC(=O)C1 ZINC001179294584 787943528 /nfs/dbraw/zinc/94/35/28/787943528.db2.gz BVQOPVYLTVRFLT-RYUDHWBXSA-N 1 0 325.413 -1.915 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179294612 787942630 /nfs/dbraw/zinc/94/26/30/787942630.db2.gz CZKIWKCOLJZJOP-STQMWFEESA-N 1 0 339.440 -1.478 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001179294859 787943307 /nfs/dbraw/zinc/94/33/07/787943307.db2.gz GJQHECDQGIDNCI-AAEUAGOBSA-N 1 0 337.424 -1.724 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179294863 787943101 /nfs/dbraw/zinc/94/31/01/787943101.db2.gz GLNNVGIAOOAGDU-STQMWFEESA-N 1 0 339.440 -1.525 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179294891 787943068 /nfs/dbraw/zinc/94/30/68/787943068.db2.gz HLLYWEFXRQNJDQ-RYUDHWBXSA-N 1 0 325.413 -1.867 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@H]1CCC(=O)N1C ZINC001179294928 787943037 /nfs/dbraw/zinc/94/30/37/787943037.db2.gz IULDOPIVPXUOQO-AXFHLTTASA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@@H]1CCC(=O)N1C ZINC001179294929 787942359 /nfs/dbraw/zinc/94/23/59/787942359.db2.gz IULDOPIVPXUOQO-DCAQKATOSA-N 1 0 339.396 -1.229 20 0 EAADRO COCCOCC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295168 787943576 /nfs/dbraw/zinc/94/35/76/787943576.db2.gz KLHYFTHFKVQLER-KBPBESRZSA-N 1 0 342.440 -1.340 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295187 787942520 /nfs/dbraw/zinc/94/25/20/787942520.db2.gz LWHRFEZNNFQZLC-AVGNSLFASA-N 1 0 328.413 -1.996 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295188 787942444 /nfs/dbraw/zinc/94/24/44/787942444.db2.gz LWHRFEZNNFQZLC-XQQFMLRXSA-N 1 0 328.413 -1.996 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)CN1CCNC(=O)C1 ZINC001179295538 787942840 /nfs/dbraw/zinc/94/28/40/787942840.db2.gz OWTOZLKIJFLHJP-RYUDHWBXSA-N 1 0 346.453 -1.958 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCNC(=O)C1 ZINC001179295542 787943343 /nfs/dbraw/zinc/94/33/43/787943343.db2.gz PAZMDRQISVKAMM-UWVGGRQHSA-N 1 0 340.384 -2.808 20 0 EAADRO COc1nn(C)cc1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179295551 787943545 /nfs/dbraw/zinc/94/35/45/787943545.db2.gz PKHMUIMNEDDLIU-WPRPVWTQSA-N 1 0 338.368 -1.184 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C)C(=O)N(C)C ZINC001179295581 787943185 /nfs/dbraw/zinc/94/31/85/787943185.db2.gz QRLPTRBLBNESCX-AGIUHOORSA-N 1 0 339.440 -1.526 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C)C(=O)N(C)C ZINC001179295582 787942962 /nfs/dbraw/zinc/94/29/62/787942962.db2.gz QRLPTRBLBNESCX-AVGNSLFASA-N 1 0 339.440 -1.526 20 0 EAADRO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295867 787943930 /nfs/dbraw/zinc/94/39/30/787943930.db2.gz UYXDKVLIBMIIOJ-STQMWFEESA-N 1 0 339.440 -1.477 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295868 787944910 /nfs/dbraw/zinc/94/49/10/787944910.db2.gz VDCGWFVLSBSNCL-SRVKXCTJSA-N 1 0 325.413 -1.868 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295869 787944790 /nfs/dbraw/zinc/94/47/90/787944790.db2.gz VDCGWFVLSBSNCL-WOPDTQHZSA-N 1 0 325.413 -1.868 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCNC(=O)C1 ZINC001179295890 787944234 /nfs/dbraw/zinc/94/42/34/787944234.db2.gz WNSNARGIGCVITK-STQMWFEESA-N 1 0 328.413 -1.994 20 0 EAADRO Cn1nnc(C(=O)NCCCCCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001179298070 787944623 /nfs/dbraw/zinc/94/46/23/787944623.db2.gz JTNZFHPOADTYRW-JTQLQIEISA-N 1 0 337.384 -1.105 20 0 EAADRO Cn1nnc(C(=O)NCCCCCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001179298071 787944212 /nfs/dbraw/zinc/94/42/12/787944212.db2.gz JTNZFHPOADTYRW-SNVBAGLBSA-N 1 0 337.384 -1.105 20 0 EAADRO Cn1nnc(C(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001179298109 787944701 /nfs/dbraw/zinc/94/47/01/787944701.db2.gz LKYAKZQMFNMLHL-UHFFFAOYSA-N 1 0 347.445 -1.361 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)c1nnn(C)n1)C(=O)NC(N)=O ZINC001179298225 787944746 /nfs/dbraw/zinc/94/47/46/787944746.db2.gz QMBSDKLBRJFGNJ-SECBINFHSA-N 1 0 340.388 -1.327 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)c1nnn(C)n1)C(=O)NC(N)=O ZINC001179298226 787944826 /nfs/dbraw/zinc/94/48/26/787944826.db2.gz QMBSDKLBRJFGNJ-VIFPVBQESA-N 1 0 340.388 -1.327 20 0 EAADRO Cn1nnc(C(=O)NCCCCCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001179298242 787944057 /nfs/dbraw/zinc/94/40/57/787944057.db2.gz RJXMIKNYXHTIBW-UHFFFAOYSA-N 1 0 337.388 -1.288 20 0 EAADRO Cn1nnc(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001179298275 787943988 /nfs/dbraw/zinc/94/39/88/787943988.db2.gz SVRLRANBUOFICJ-UHFFFAOYSA-N 1 0 326.361 -1.715 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)c1nnn(C)n1 ZINC001179298413 787944136 /nfs/dbraw/zinc/94/41/36/787944136.db2.gz WAXBLSYAVTWTJK-UHFFFAOYSA-N 1 0 340.388 -1.455 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179299891 787944262 /nfs/dbraw/zinc/94/42/62/787944262.db2.gz COJZLWDOQOEUSC-AEJSXWLSSA-N 1 0 325.369 -1.843 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179299892 787944093 /nfs/dbraw/zinc/94/40/93/787944093.db2.gz COJZLWDOQOEUSC-GUBZILKMSA-N 1 0 325.369 -1.843 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CCNC1=O ZINC001179300142 787943945 /nfs/dbraw/zinc/94/39/45/787943945.db2.gz HLWFENHKHFSFRP-AXFHLTTASA-N 1 0 332.426 -1.749 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CCNC1=O ZINC001179300143 787944069 /nfs/dbraw/zinc/94/40/69/787944069.db2.gz HLWFENHKHFSFRP-DCAQKATOSA-N 1 0 332.426 -1.749 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)[C@H]1C)C(=O)NC(N)=O ZINC001179300196 787943955 /nfs/dbraw/zinc/94/39/55/787943955.db2.gz JEAJWFRKEWZJAM-CIUDSAMLSA-N 1 0 338.368 -1.098 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)[C@H]1C)C(=O)NC(N)=O ZINC001179300197 787944755 /nfs/dbraw/zinc/94/47/55/787944755.db2.gz JEAJWFRKEWZJAM-VGMNWLOBSA-N 1 0 338.368 -1.098 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300432 787944671 /nfs/dbraw/zinc/94/46/71/787944671.db2.gz OARQDMODSNXZEJ-SRVKXCTJSA-N 1 0 346.453 -1.359 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300433 787944571 /nfs/dbraw/zinc/94/45/71/787944571.db2.gz OARQDMODSNXZEJ-TUAOUCFPSA-N 1 0 346.453 -1.359 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300527 787944369 /nfs/dbraw/zinc/94/43/69/787944369.db2.gz ODDHKOOMTHJPGJ-UBHSHLNASA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300528 787943903 /nfs/dbraw/zinc/94/39/03/787943903.db2.gz ODDHKOOMTHJPGJ-YUTCNCBUSA-N 1 0 340.424 -1.146 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300590 787944196 /nfs/dbraw/zinc/94/41/96/787944196.db2.gz QHVJMLZRQBNTOB-AVGNSLFASA-N 1 0 340.424 -1.146 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300591 787944351 /nfs/dbraw/zinc/94/43/51/787944351.db2.gz QHVJMLZRQBNTOB-XQQFMLRXSA-N 1 0 340.424 -1.146 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179300632 787944833 /nfs/dbraw/zinc/94/48/33/787944833.db2.gz SFTGDOKZGNYLCU-GUBZILKMSA-N 1 0 340.384 -1.955 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179300633 787944011 /nfs/dbraw/zinc/94/40/11/787944011.db2.gz SFTGDOKZGNYLCU-LPEHRKFASA-N 1 0 340.384 -1.955 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300651 787944925 /nfs/dbraw/zinc/94/49/25/787944925.db2.gz SUEOYSIKABGPQY-AVGNSLFASA-N 1 0 340.424 -1.146 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300652 787944078 /nfs/dbraw/zinc/94/40/78/787944078.db2.gz SUEOYSIKABGPQY-XQQFMLRXSA-N 1 0 340.424 -1.146 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300658 787944777 /nfs/dbraw/zinc/94/47/77/787944777.db2.gz TUPOCOUBVOFWFJ-AXFHLTTASA-N 1 0 339.396 -1.453 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300659 787944817 /nfs/dbraw/zinc/94/48/17/787944817.db2.gz TUPOCOUBVOFWFJ-DCAQKATOSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1CCNC1=O ZINC001179300679 787944378 /nfs/dbraw/zinc/94/43/78/787944378.db2.gz UQLKFJYZPKHQLD-SRVKXCTJSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@@H]1CCNC1=O ZINC001179300680 787944677 /nfs/dbraw/zinc/94/46/77/787944677.db2.gz UQLKFJYZPKHQLD-TUAOUCFPSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001179300707 787944489 /nfs/dbraw/zinc/94/44/89/787944489.db2.gz VLNKDORQERALSF-DCAQKATOSA-N 1 0 332.426 -1.366 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001179300708 787944936 /nfs/dbraw/zinc/94/49/36/787944936.db2.gz VLNKDORQERALSF-GARJFASQSA-N 1 0 332.426 -1.366 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001179300721 787944751 /nfs/dbraw/zinc/94/47/51/787944751.db2.gz VYXVSFRWAZNUKL-DCAQKATOSA-N 1 0 347.441 -1.862 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001179300722 787944226 /nfs/dbraw/zinc/94/42/26/787944226.db2.gz VYXVSFRWAZNUKL-GARJFASQSA-N 1 0 347.441 -1.862 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001179300817 787943880 /nfs/dbraw/zinc/94/38/80/787943880.db2.gz ZFONNBTYNLYQFF-CIUDSAMLSA-N 1 0 326.357 -2.216 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001179300818 787944811 /nfs/dbraw/zinc/94/48/11/787944811.db2.gz ZFONNBTYNLYQFF-XHNCKOQMSA-N 1 0 326.357 -2.216 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001179303762 787944887 /nfs/dbraw/zinc/94/48/87/787944887.db2.gz MOVWQNALVIHAHX-UWVGGRQHSA-N 1 0 345.425 -1.133 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)[C@H]1C ZINC001179304083 787944627 /nfs/dbraw/zinc/94/46/27/787944627.db2.gz SOKNPPKGEQEWJK-IUCAKERBSA-N 1 0 338.368 -1.226 20 0 EAADRO CN1CC[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1=O ZINC001179319464 787944145 /nfs/dbraw/zinc/94/41/45/787944145.db2.gz FPDBPXDAYRYQCS-LLVKDONJSA-N 1 0 341.412 -1.074 20 0 EAADRO CN1CC[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1=O ZINC001179319472 787944900 /nfs/dbraw/zinc/94/49/00/787944900.db2.gz FPDBPXDAYRYQCS-NSHDSACASA-N 1 0 341.412 -1.074 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)c1nnn(C)n1 ZINC001179326673 787944665 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NUMUWHFLLNBNHD-VWYCJHECSA-N 1 0 334.442 -1.374 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179327481 787944683 /nfs/dbraw/zinc/94/46/83/787944683.db2.gz NWUAJKZAJQCGNG-SRVKXCTJSA-N 1 0 342.400 -1.573 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179327486 787944799 /nfs/dbraw/zinc/94/47/99/787944799.db2.gz NWUAJKZAJQCGNG-TUAOUCFPSA-N 1 0 342.400 -1.573 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179327544 787944880 /nfs/dbraw/zinc/94/48/80/787944880.db2.gz PDUUTMBFICXLTD-DCAQKATOSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179327546 787944720 /nfs/dbraw/zinc/94/47/20/787944720.db2.gz PDUUTMBFICXLTD-VWYCJHECSA-N 1 0 339.396 -1.371 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179327830 787944852 /nfs/dbraw/zinc/94/48/52/787944852.db2.gz QWXFOUSOQIMRTO-JQWIXIFHSA-N 1 0 339.400 -1.445 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)c1nnn(C)n1 ZINC001179327878 787944821 /nfs/dbraw/zinc/94/48/21/787944821.db2.gz ROYFSDWSJJSAID-UWVGGRQHSA-N 1 0 330.414 -1.163 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179327883 787944735 /nfs/dbraw/zinc/94/47/35/787944735.db2.gz RTDSRYINGAAFFB-QWRGUYRKSA-N 1 0 339.400 -1.445 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1C ZINC001179327941 787944763 /nfs/dbraw/zinc/94/47/63/787944763.db2.gz UNNREYVZBLCPBS-DCAQKATOSA-N 1 0 341.412 -1.077 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001179327942 787944407 /nfs/dbraw/zinc/94/44/07/787944407.db2.gz UNNREYVZBLCPBS-VWYCJHECSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001179328095 787943971 /nfs/dbraw/zinc/94/39/71/787943971.db2.gz WIALXEDKQRVQCU-AGIUHOORSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001179328096 787943864 /nfs/dbraw/zinc/94/38/64/787943864.db2.gz WIALXEDKQRVQCU-AVGNSLFASA-N 1 0 340.424 -1.064 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1C ZINC001179328212 787944464 /nfs/dbraw/zinc/94/44/64/787944464.db2.gz YNRWNKYISYZNMW-GUBZILKMSA-N 1 0 327.385 -1.468 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001179328213 787944838 /nfs/dbraw/zinc/94/48/38/787944838.db2.gz YNRWNKYISYZNMW-UTLUCORTSA-N 1 0 327.385 -1.468 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179332339 787944039 /nfs/dbraw/zinc/94/40/39/787944039.db2.gz MLJPPDWVWYFPAU-CIUDSAMLSA-N 1 0 338.372 -1.753 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179332340 787944582 /nfs/dbraw/zinc/94/45/82/787944582.db2.gz MLJPPDWVWYFPAU-VGMNWLOBSA-N 1 0 338.372 -1.753 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179332411 787943855 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339.400 -1.445 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCN(C)C1=O ZINC001179364134 787944771 /nfs/dbraw/zinc/94/47/71/787944771.db2.gz FCRSFOZVQRICEF-AEJSXWLSSA-N 1 0 325.369 -1.761 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCN(C)C1=O ZINC001179364135 787944516 /nfs/dbraw/zinc/94/45/16/787944516.db2.gz FCRSFOZVQRICEF-GUBZILKMSA-N 1 0 325.369 -1.761 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001179364599 787943890 /nfs/dbraw/zinc/94/38/90/787943890.db2.gz NGFNFEDAMCYJET-AXFHLTTASA-N 1 0 339.396 -1.501 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H]1C ZINC001179364601 787944896 /nfs/dbraw/zinc/94/48/96/787944896.db2.gz NGFNFEDAMCYJET-DCAQKATOSA-N 1 0 339.396 -1.501 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CCN(C)C1=O ZINC001179369954 787943999 /nfs/dbraw/zinc/94/39/99/787943999.db2.gz JRONHWBZVWTDDJ-SRVKXCTJSA-N 1 0 346.453 -1.407 20 0 EAADRO 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C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(N)=O ZINC001179416373 787946390 /nfs/dbraw/zinc/94/63/90/787946390.db2.gz RAXKBEJNOPOHCF-ZJUUUORDSA-N 1 0 342.400 -1.483 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)COc1cnn(C)c1 ZINC001179416543 787945914 /nfs/dbraw/zinc/94/59/14/787945914.db2.gz VYKQOPKGCOGSQH-ONGXEEELSA-N 1 0 338.368 -1.427 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001179420045 787945366 /nfs/dbraw/zinc/94/53/66/787945366.db2.gz AVRJUJPAJHHPFZ-IUCAKERBSA-N 1 0 336.352 -1.582 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001179421406 787945337 /nfs/dbraw/zinc/94/53/37/787945337.db2.gz WPDXFWYDPLLIPR-AEJSXWLSSA-N 1 0 349.395 -1.002 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001179421407 787945491 /nfs/dbraw/zinc/94/54/91/787945491.db2.gz WPDXFWYDPLLIPR-GUBZILKMSA-N 1 0 349.395 -1.002 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C)C(=O)NC(N)=O ZINC001179426545 787944905 /nfs/dbraw/zinc/94/49/05/787944905.db2.gz AYLGHSWXFUWKGY-CIUDSAMLSA-N 1 0 336.352 -1.454 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C)C(=O)NC(N)=O ZINC001179426546 787944648 /nfs/dbraw/zinc/94/46/48/787944648.db2.gz AYLGHSWXFUWKGY-VGMNWLOBSA-N 1 0 336.352 -1.454 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001179426889 787944598 /nfs/dbraw/zinc/94/45/98/787944598.db2.gz RYSRLPIZYHDLPL-UWVGGRQHSA-N 1 0 343.409 -1.488 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179430594 787944424 /nfs/dbraw/zinc/94/44/24/787944424.db2.gz ABFSNBKBVMXNID-CIUDSAMLSA-N 1 0 326.357 -2.298 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179430595 787944311 /nfs/dbraw/zinc/94/43/11/787944311.db2.gz ABFSNBKBVMXNID-XHNCKOQMSA-N 1 0 326.357 -2.298 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179430903 787944727 /nfs/dbraw/zinc/94/47/27/787944727.db2.gz IIFOTBBXYKWGOA-SDDRHHMPSA-N 1 0 341.412 -1.601 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179430909 787944857 /nfs/dbraw/zinc/94/48/57/787944857.db2.gz IIFOTBBXYKWGOA-SRVKXCTJSA-N 1 0 341.412 -1.601 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179430922 787944706 /nfs/dbraw/zinc/94/47/06/787944706.db2.gz IYFCUJWVSUCDHX-DRZSPHRISA-N 1 0 341.412 -1.601 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179430924 787944240 /nfs/dbraw/zinc/94/42/40/787944240.db2.gz IYFCUJWVSUCDHX-WCFLWFBJSA-N 1 0 341.412 -1.601 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001179431253 787945972 /nfs/dbraw/zinc/94/59/72/787945972.db2.gz SBDBJHOARUCWKR-DCAQKATOSA-N 1 0 347.441 -1.862 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001179431254 787945907 /nfs/dbraw/zinc/94/59/07/787945907.db2.gz SBDBJHOARUCWKR-GARJFASQSA-N 1 0 347.441 -1.862 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001179431272 787945599 /nfs/dbraw/zinc/94/55/99/787945599.db2.gz SUHWVSMQUFPNOU-DCAQKATOSA-N 1 0 347.379 -1.325 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001179431273 787945295 /nfs/dbraw/zinc/94/52/95/787945295.db2.gz SUHWVSMQUFPNOU-GARJFASQSA-N 1 0 347.379 -1.325 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179431287 787946070 /nfs/dbraw/zinc/94/60/70/787946070.db2.gz UHQUGVGWEBRFLS-SDDRHHMPSA-N 1 0 341.412 -1.601 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179431288 787946041 /nfs/dbraw/zinc/94/60/41/787946041.db2.gz UHQUGVGWEBRFLS-SRVKXCTJSA-N 1 0 341.412 -1.601 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179431397 787945859 /nfs/dbraw/zinc/94/58/59/787945859.db2.gz YGRULIKZXKLYDR-GUBZILKMSA-N 1 0 340.384 -1.908 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179431398 787946084 /nfs/dbraw/zinc/94/60/84/787946084.db2.gz YGRULIKZXKLYDR-LPEHRKFASA-N 1 0 340.384 -1.908 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001179435456 787946214 /nfs/dbraw/zinc/94/62/14/787946214.db2.gz FNNVAKCEGNDWEH-UHFFFAOYSA-N 1 0 327.385 -2.304 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C1(C(N)=O)CC1 ZINC001179435681 787945805 /nfs/dbraw/zinc/94/58/05/787945805.db2.gz GQCJWPIMVVEPIY-UHFFFAOYSA-N 1 0 341.412 -1.026 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C1(C(N)=O)CC1 ZINC001179436178 787946341 /nfs/dbraw/zinc/94/63/41/787946341.db2.gz PLDGQZDQXGROOV-UHFFFAOYSA-N 1 0 327.385 -1.287 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179436237 787945930 /nfs/dbraw/zinc/94/59/30/787945930.db2.gz SFJWNHQTIORJSC-UHFFFAOYSA-N 1 0 329.401 -1.026 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001179438989 787945613 /nfs/dbraw/zinc/94/56/13/787945613.db2.gz CGYCVWSIQTZGOR-GUBZILKMSA-N 1 0 333.414 -2.204 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001179438993 787945558 /nfs/dbraw/zinc/94/55/58/787945558.db2.gz CGYCVWSIQTZGOR-LPEHRKFASA-N 1 0 333.414 -2.204 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179439122 787945467 /nfs/dbraw/zinc/94/54/67/787945467.db2.gz GPBZHCAABMFFPB-SDDRHHMPSA-N 1 0 340.428 -1.046 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179439123 787945903 /nfs/dbraw/zinc/94/59/03/787945903.db2.gz GPBZHCAABMFFPB-SRVKXCTJSA-N 1 0 340.428 -1.046 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179439254 787945977 /nfs/dbraw/zinc/94/59/77/787945977.db2.gz JSNPWFVUTYQPSR-DCAQKATOSA-N 1 0 347.441 -1.814 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179439255 787945694 /nfs/dbraw/zinc/94/56/94/787945694.db2.gz JSNPWFVUTYQPSR-GARJFASQSA-N 1 0 347.441 -1.814 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2ccon2)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001179439712 787945852 /nfs/dbraw/zinc/94/58/52/787945852.db2.gz XDTXZXRPJMDGCF-GUBZILKMSA-N 1 0 336.352 -1.127 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2ccon2)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001179439716 787945504 /nfs/dbraw/zinc/94/55/04/787945504.db2.gz XDTXZXRPJMDGCF-LPEHRKFASA-N 1 0 336.352 -1.127 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001179439751 787945942 /nfs/dbraw/zinc/94/59/42/787945942.db2.gz XZKQZRDZFVZGTC-DCAQKATOSA-N 1 0 332.426 -1.319 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001179439755 787945577 /nfs/dbraw/zinc/94/55/77/787945577.db2.gz XZKQZRDZFVZGTC-GARJFASQSA-N 1 0 332.426 -1.319 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCCCCCNC(=O)C(N)=O)CCO1 ZINC001179440447 787946368 /nfs/dbraw/zinc/94/63/68/787946368.db2.gz BCCOOJRSLIANJR-GFCCVEGCSA-N 1 0 328.413 -1.015 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCCCCCNC(=O)C(N)=O)CCO1 ZINC001179440449 787946354 /nfs/dbraw/zinc/94/63/54/787946354.db2.gz BCCOOJRSLIANJR-LBPRGKRZSA-N 1 0 328.413 -1.015 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001179440773 787946225 /nfs/dbraw/zinc/94/62/25/787946225.db2.gz HPZWSXZUQPWSQL-UHFFFAOYSA-N 1 0 327.385 -1.274 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001179440781 787945593 /nfs/dbraw/zinc/94/55/93/787945593.db2.gz HTEXSIBVMJCJSS-LBPRGKRZSA-N 1 0 328.413 -1.279 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]CCN1CCCS1(=O)=O ZINC001179441249 787946110 /nfs/dbraw/zinc/94/61/10/787946110.db2.gz RBSNHAVMXSBCRS-UHFFFAOYSA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)Cc2cnn(C)c2)CCN1C(=O)C(N)=O ZINC001179446215 787946143 /nfs/dbraw/zinc/94/61/43/787946143.db2.gz CQBVOAVFRBSXIT-JQWIXIFHSA-N 1 0 336.396 -1.557 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCN1C(=O)C(N)=O ZINC001179446262 787946121 /nfs/dbraw/zinc/94/61/21/787946121.db2.gz FIRGFPNVRMOKRH-AEJSXWLSSA-N 1 0 326.353 -2.439 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCN1C(=O)C(N)=O ZINC001179446263 787945583 /nfs/dbraw/zinc/94/55/83/787945583.db2.gz FIRGFPNVRMOKRH-GUBZILKMSA-N 1 0 326.353 -2.439 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446288 787945620 /nfs/dbraw/zinc/94/56/20/787945620.db2.gz GHVCTHQLOGAYOY-UWVGGRQHSA-N 1 0 327.385 -1.468 20 0 EAADRO Cc1nnc(NC(=O)C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)s1 ZINC001179446413 787946313 /nfs/dbraw/zinc/94/63/13/787946313.db2.gz LUNMWJFUZZYZSS-XPUUQOCRSA-N 1 0 326.382 -1.151 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)Nc2ccccc2C(N)=O)CCN1C(=O)C(N)=O ZINC001179446423 787945796 /nfs/dbraw/zinc/94/57/96/787945796.db2.gz MNSUTKASDCMRAN-ONGXEEELSA-N 1 0 347.375 -1.212 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)CCN1C(=O)C(N)=O ZINC001179446435 787945766 /nfs/dbraw/zinc/94/57/66/787945766.db2.gz NAGWZYRWJHSKPA-UWVGGRQHSA-N 1 0 341.412 -1.918 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)CCN1C(=O)C(N)=O ZINC001179446547 787946233 /nfs/dbraw/zinc/94/62/33/787946233.db2.gz UFZAGZZZSHDIFM-IUCAKERBSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)CCN1C(=O)C(N)=O ZINC001179446557 787945482 /nfs/dbraw/zinc/94/54/82/787945482.db2.gz UPKULSVULKIXRH-CIUDSAMLSA-N 1 0 327.303 -1.010 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)CCN1C(=O)C(N)=O ZINC001179446558 787945357 /nfs/dbraw/zinc/94/53/57/787945357.db2.gz UPKULSVULKIXRH-YIZRAAEISA-N 1 0 327.303 -1.010 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(=O)NC2CCCC2)CCN1C(=O)C(N)=O ZINC001179446592 787945438 /nfs/dbraw/zinc/94/54/38/787945438.db2.gz WEWUTAAFJBEJLC-ONGXEEELSA-N 1 0 339.396 -1.181 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446597 787945924 /nfs/dbraw/zinc/94/59/24/787945924.db2.gz WJLHVQSZCBJJSX-QWRGUYRKSA-N 1 0 335.426 -1.498 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179446736 787945721 /nfs/dbraw/zinc/94/57/21/787945721.db2.gz BPWNNCWXDVYKQJ-JTQLQIEISA-N 1 0 329.401 -1.028 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179446737 787946265 /nfs/dbraw/zinc/94/62/65/787946265.db2.gz BPWNNCWXDVYKQJ-SNVBAGLBSA-N 1 0 329.401 -1.028 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001179446797 787946009 /nfs/dbraw/zinc/94/60/09/787946009.db2.gz FHKMYEOKZPIDDK-LLVKDONJSA-N 1 0 342.396 -1.752 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001179446798 787945871 /nfs/dbraw/zinc/94/58/71/787945871.db2.gz FHKMYEOKZPIDDK-NSHDSACASA-N 1 0 342.396 -1.752 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001179446952 787945675 /nfs/dbraw/zinc/94/56/75/787945675.db2.gz LWIRHVJWOBDEFJ-GFCCVEGCSA-N 1 0 328.413 -1.109 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001179446953 787946278 /nfs/dbraw/zinc/94/62/78/787946278.db2.gz LWIRHVJWOBDEFJ-LBPRGKRZSA-N 1 0 328.413 -1.109 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCCCCNC(=O)C(N)=O)C(=O)N(C)C ZINC001179447003 787946164 /nfs/dbraw/zinc/94/61/64/787946164.db2.gz OKYKXLDGQHAUOV-LLVKDONJSA-N 1 0 343.428 -1.669 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCCCCNC(=O)C(N)=O)C(=O)N(C)C ZINC001179447004 787945568 /nfs/dbraw/zinc/94/55/68/787945568.db2.gz OKYKXLDGQHAUOV-NSHDSACASA-N 1 0 343.428 -1.669 20 0 EAADRO Cn1c(C[NH2+]CCCCCCNC(=O)C(N)=O)cc(=O)n(C)c1=O ZINC001179447029 787945938 /nfs/dbraw/zinc/94/59/38/787945938.db2.gz PNQLGUMBZHIYRV-UHFFFAOYSA-N 1 0 339.396 -1.665 20 0 EAADRO CNC(=O)Cc1noc(C[NH2+]CCCCCCNC(=O)C(N)=O)n1 ZINC001179447079 787946197 /nfs/dbraw/zinc/94/61/97/787946197.db2.gz RJMDQZYXGPFOPM-UHFFFAOYSA-N 1 0 340.384 -1.390 20 0 EAADRO NC(=O)C(=O)NCCCCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001179447236 787945682 /nfs/dbraw/zinc/94/56/82/787945682.db2.gz YQXQESBCEIZLGE-UHFFFAOYSA-N 1 0 327.385 -1.320 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179451752 787945708 /nfs/dbraw/zinc/94/57/08/787945708.db2.gz GGMCCDHHVGJUKR-SRVKXCTJSA-N 1 0 328.413 -1.018 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179451753 787946374 /nfs/dbraw/zinc/94/63/74/787946374.db2.gz GGMCCDHHVGJUKR-WOPDTQHZSA-N 1 0 328.413 -1.018 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452166 787945877 /nfs/dbraw/zinc/94/58/77/787945877.db2.gz OGKVYFKVJRPBCV-GUBZILKMSA-N 1 0 343.384 -2.089 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452169 787945995 /nfs/dbraw/zinc/94/59/95/787945995.db2.gz OGKVYFKVJRPBCV-UTLUCORTSA-N 1 0 343.384 -2.089 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)CCN1C(=O)C(N)=O ZINC001179452210 787946032 /nfs/dbraw/zinc/94/60/32/787946032.db2.gz PBJRSFBSBBLKFZ-UWVGGRQHSA-N 1 0 339.396 -1.229 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452253 787945649 /nfs/dbraw/zinc/94/56/49/787945649.db2.gz PVAHFBUZPLGBBG-GUBZILKMSA-N 1 0 327.385 -1.327 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452255 787946178 /nfs/dbraw/zinc/94/61/78/787946178.db2.gz PVAHFBUZPLGBBG-UTLUCORTSA-N 1 0 327.385 -1.327 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452260 787945787 /nfs/dbraw/zinc/94/57/87/787945787.db2.gz PXFIZXKEENUZBM-QWRGUYRKSA-N 1 0 341.412 -1.965 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)CCN1C(=O)C(N)=O ZINC001179452279 787945264 /nfs/dbraw/zinc/94/52/64/787945264.db2.gz QIOUWWKRQVEWHF-GVXVVHGQSA-N 1 0 329.397 -1.393 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)CCN1C(=O)C(N)=O ZINC001179452280 787945703 /nfs/dbraw/zinc/94/57/03/787945703.db2.gz QIOUWWKRQVEWHF-LOWVWBTDSA-N 1 0 329.397 -1.393 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452449 787945661 /nfs/dbraw/zinc/94/56/61/787945661.db2.gz RZZFAIPFZHQLRD-RYUDHWBXSA-N 1 0 328.413 -1.018 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)N(C)C ZINC001179452479 787945982 /nfs/dbraw/zinc/94/59/82/787945982.db2.gz SGDIQFFYZQRDMQ-GUBZILKMSA-N 1 0 327.385 -2.356 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)N(C)C ZINC001179452482 787945825 /nfs/dbraw/zinc/94/58/25/787945825.db2.gz SGDIQFFYZQRDMQ-UTLUCORTSA-N 1 0 327.385 -2.356 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452704 787945838 /nfs/dbraw/zinc/94/58/38/787945838.db2.gz WWZHMFFSAIYOFG-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001179452723 787946837 /nfs/dbraw/zinc/94/68/37/787946837.db2.gz XXHMLHKZMXMXQH-NRPADANISA-N 1 0 325.369 -1.573 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001179452724 787947703 /nfs/dbraw/zinc/94/77/03/787947703.db2.gz XXHMLHKZMXMXQH-WEDXCCLWSA-N 1 0 325.369 -1.573 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452736 787946808 /nfs/dbraw/zinc/94/68/08/787946808.db2.gz YECPXXKMIMEBHQ-DCAQKATOSA-N 1 0 341.412 -1.079 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452737 787947077 /nfs/dbraw/zinc/94/70/77/787947077.db2.gz YECPXXKMIMEBHQ-VWYCJHECSA-N 1 0 341.412 -1.079 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)CCN1C(=O)C(N)=O ZINC001179452753 787947019 /nfs/dbraw/zinc/94/70/19/787947019.db2.gz YZFRPGFWIKPCDN-QWRGUYRKSA-N 1 0 339.396 -2.211 20 0 EAADRO C[C@H]1[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CCCS(N)(=O)=O ZINC001179454507 787947085 /nfs/dbraw/zinc/94/70/85/787947085.db2.gz AAJXIDTXYYIFFA-JQWIXIFHSA-N 1 0 344.441 -1.037 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CCCS(N)(=O)=O ZINC001179454522 787947686 /nfs/dbraw/zinc/94/76/86/787947686.db2.gz AORLCBSYURPEPB-QWRGUYRKSA-N 1 0 334.442 -1.278 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CCCS(N)(=O)=O ZINC001179454537 787947419 /nfs/dbraw/zinc/94/74/19/787947419.db2.gz BLAATNFSMLWRIQ-SDDRHHMPSA-N 1 0 346.453 -1.087 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CCCS(N)(=O)=O ZINC001179454542 787946917 /nfs/dbraw/zinc/94/69/17/787946917.db2.gz BLAATNFSMLWRIQ-SRVKXCTJSA-N 1 0 346.453 -1.087 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCCS(N)(=O)=O)[C@H]1C ZINC001179454612 787947769 /nfs/dbraw/zinc/94/77/69/787947769.db2.gz DHIYTPLHTMJPBB-DCAQKATOSA-N 1 0 334.442 -1.231 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCCS(N)(=O)=O)[C@H]1C ZINC001179454617 787947068 /nfs/dbraw/zinc/94/70/68/787947068.db2.gz DHIYTPLHTMJPBB-VWYCJHECSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CCCS(N)(=O)=O ZINC001179454646 787947122 /nfs/dbraw/zinc/94/71/22/787947122.db2.gz FHWRNPNGNRWCPI-SDDRHHMPSA-N 1 0 346.453 -1.135 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)CCCS(N)(=O)=O ZINC001179454647 787947237 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OWEGDTXVYTYGNB-GARJFASQSA-N 1 0 330.385 -1.318 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179513183 787946993 /nfs/dbraw/zinc/94/69/93/787946993.db2.gz PFGQWTTYPVGXJF-SDDRHHMPSA-N 1 0 342.396 -1.221 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179513184 787947599 /nfs/dbraw/zinc/94/75/99/787947599.db2.gz PFGQWTTYPVGXJF-SRVKXCTJSA-N 1 0 342.396 -1.221 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179513344 787947590 /nfs/dbraw/zinc/94/75/90/787947590.db2.gz WXAJHPXRRWFUNF-SDDRHHMPSA-N 1 0 337.442 -1.224 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179513345 787947160 /nfs/dbraw/zinc/94/71/60/787947160.db2.gz WXAJHPXRRWFUNF-SRVKXCTJSA-N 1 0 337.442 -1.224 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC001179516712 787946768 /nfs/dbraw/zinc/94/67/68/787946768.db2.gz HEHMSBSDCHQNDO-DCAQKATOSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCCCC(=O)N1 ZINC001179516713 787947754 /nfs/dbraw/zinc/94/77/54/787947754.db2.gz HEHMSBSDCHQNDO-GARJFASQSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cccc(=O)n1C ZINC001179516993 787947656 /nfs/dbraw/zinc/94/76/56/787947656.db2.gz KLTUYQCORUYJMO-UWVGGRQHSA-N 1 0 335.364 -1.227 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cc(C(N)=O)co1 ZINC001179521483 787946732 /nfs/dbraw/zinc/94/67/32/787946732.db2.gz OCOJNBABITTZDB-CBAPKCEASA-N 1 0 337.336 -1.234 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1C ZINC001179526261 787947222 /nfs/dbraw/zinc/94/72/22/787947222.db2.gz YQCBNPFSSJIVLN-ZDEQEGDKSA-N 1 0 340.424 -1.053 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179529695 787946953 /nfs/dbraw/zinc/94/69/53/787946953.db2.gz BQUZWSQLPJMCCH-ZDEQEGDKSA-N 1 0 329.397 -1.393 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179530011 787947618 /nfs/dbraw/zinc/94/76/18/787947618.db2.gz MGRFDADZGSCDFC-FIQHERPVSA-N 1 0 347.437 -1.357 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179530052 787947031 /nfs/dbraw/zinc/94/70/31/787947031.db2.gz NUELBWVSJKOQIX-FIQHERPVSA-N 1 0 326.397 -1.266 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179530134 787947199 /nfs/dbraw/zinc/94/71/99/787947199.db2.gz REZKXCUOITXLTM-AATLWQCWSA-N 1 0 341.368 -2.207 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179530320 787946697 /nfs/dbraw/zinc/94/66/97/787946697.db2.gz VRFZMDDFHZXPOX-FPYNETTCSA-N 1 0 329.397 -1.394 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179530321 787946863 /nfs/dbraw/zinc/94/68/63/787946863.db2.gz VRFZMDDFHZXPOX-PJSNJIKXSA-N 1 0 329.397 -1.394 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179530357 787947051 /nfs/dbraw/zinc/94/70/51/787947051.db2.gz WZOURTVHGFMEIO-XYJRDEOASA-N 1 0 338.408 -1.123 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179530387 787947060 /nfs/dbraw/zinc/94/70/60/787947060.db2.gz ZFQFXDMBGFHYMR-FIQHERPVSA-N 1 0 326.397 -1.314 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001179539550 787947166 /nfs/dbraw/zinc/94/71/66/787947166.db2.gz YZHSYXULWPSJNE-VLEAKVRGSA-N 1 0 339.396 -1.515 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543603 787947041 /nfs/dbraw/zinc/94/70/41/787947041.db2.gz DZVLVBJOFJVVOI-GHYVTOPFSA-N 1 0 340.424 -1.161 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543636 787946818 /nfs/dbraw/zinc/94/68/18/787946818.db2.gz FUQGIOLJOHSKHB-RNJOBUHISA-N 1 0 340.424 -1.161 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001179543752 787947213 /nfs/dbraw/zinc/94/72/13/787947213.db2.gz IMLMYDLNHBFOJF-VLEAKVRGSA-N 1 0 339.396 -1.338 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCc1cnn(C)n1 ZINC001179543944 787947406 /nfs/dbraw/zinc/94/74/06/787947406.db2.gz MBYAJUQZPPNATM-ONGXEEELSA-N 1 0 337.384 -1.478 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543960 787947104 /nfs/dbraw/zinc/94/71/04/787947104.db2.gz MVENGSMLIYLZQM-JXUBOQSCSA-N 1 0 325.369 -1.858 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001179543978 787947231 /nfs/dbraw/zinc/94/72/31/787947231.db2.gz NUPYIKCJYDWUHF-USZNOCQGSA-N 1 0 346.453 -1.422 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179544058 787947179 /nfs/dbraw/zinc/94/71/79/787947179.db2.gz RSHRHEGNDOKYLJ-VLEAKVRGSA-N 1 0 339.396 -1.468 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179544128 787947320 /nfs/dbraw/zinc/94/73/20/787947320.db2.gz WSQKPUMVPPLMLJ-RNJOBUHISA-N 1 0 340.424 -1.161 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001179546428 787948167 /nfs/dbraw/zinc/94/81/67/787948167.db2.gz PGSLAQRRDPLARH-VLEAKVRGSA-N 1 0 332.426 -1.764 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179546505 787948380 /nfs/dbraw/zinc/94/83/80/787948380.db2.gz SRKBCHIAFWCNLQ-USZNOCQGSA-N 1 0 346.453 -1.374 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCCCCCC[NH2+]CCO ZINC001179547987 787949113 /nfs/dbraw/zinc/94/91/13/787949113.db2.gz NDQJQMYVCJPMNA-UHFFFAOYSA-N 1 0 333.414 -1.071 20 0 EAADRO NC(=O)C[NH2+]CCCCCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001179548416 787948604 /nfs/dbraw/zinc/94/86/04/787948604.db2.gz ZZFQDUUTNPUPFK-UHFFFAOYSA-N 1 0 346.413 -1.578 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001179549693 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IAORBYLHRSYDNJ-HNNXBMFYSA-N 1 0 341.412 -1.026 20 0 EAADRO C[C@]1(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CCNC1=O ZINC001179568328 787947208 /nfs/dbraw/zinc/94/72/08/787947208.db2.gz IAORBYLHRSYDNJ-OAHLLOKOSA-N 1 0 341.412 -1.026 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)[C@H]1C ZINC001179569572 787947674 /nfs/dbraw/zinc/94/76/74/787947674.db2.gz OSHOMCMQBIILMA-SRVKXCTJSA-N 1 0 335.412 -1.049 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)[C@H]1C ZINC001179569573 787947499 /nfs/dbraw/zinc/94/74/99/787947499.db2.gz OSHOMCMQBIILMA-TUAOUCFPSA-N 1 0 335.412 -1.049 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179581650 787948223 /nfs/dbraw/zinc/94/82/23/787948223.db2.gz CIWAJPZQAUGDID-GDPRMGEGSA-N 1 0 327.385 -1.325 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179581651 787949222 /nfs/dbraw/zinc/94/92/22/787949222.db2.gz CIWAJPZQAUGDID-LSJOCFKGSA-N 1 0 327.385 -1.325 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179581898 787949087 /nfs/dbraw/zinc/94/90/87/787949087.db2.gz HKQZKQOPSUFEMT-DLOVCJGASA-N 1 0 341.412 -1.064 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179581901 787948192 /nfs/dbraw/zinc/94/81/92/787948192.db2.gz HKQZKQOPSUFEMT-WCQGTBRESA-N 1 0 341.412 -1.064 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001179601501 787948865 /nfs/dbraw/zinc/94/88/65/787948865.db2.gz GNKGZSAEIKSIKP-MNOVXSKESA-N 1 0 341.412 -1.170 20 0 EAADRO Cn1[nH]c(C[NH2+]CCCCCCNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O ZINC001179601777 787948993 /nfs/dbraw/zinc/94/89/93/787948993.db2.gz ONMPWOVNVLGJPP-MNOVXSKESA-N 1 0 338.412 -1.004 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001179601809 787949192 /nfs/dbraw/zinc/94/91/92/787949192.db2.gz PYCKGNZODYYWRV-ZJUUUORDSA-N 1 0 327.385 -1.431 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001179606058 787949019 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IDPDTBOEZOSNLM-SRVKXCTJSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001179608346 787948950 /nfs/dbraw/zinc/94/89/50/787948950.db2.gz IDPDTBOEZOSNLM-WOPDTQHZSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H]1C ZINC001179608589 787948617 /nfs/dbraw/zinc/94/86/17/787948617.db2.gz QSUDCKDMEOKILU-NHCYSSNCSA-N 1 0 344.441 -1.168 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H]1C ZINC001179608590 787948510 /nfs/dbraw/zinc/94/85/10/787948510.db2.gz QSUDCKDMEOKILU-SCVCMEIPSA-N 1 0 344.441 -1.168 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001179612028 787948677 /nfs/dbraw/zinc/94/86/77/787948677.db2.gz ASRROXGUORSMSG-SRVKXCTJSA-N 1 0 337.442 -1.488 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001179612038 787948107 /nfs/dbraw/zinc/94/81/07/787948107.db2.gz ASRROXGUORSMSG-WOPDTQHZSA-N 1 0 337.442 -1.488 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001179612456 787948132 /nfs/dbraw/zinc/94/81/32/787948132.db2.gz FFWVZMWZULHNJV-NHCYSSNCSA-N 1 0 346.453 -1.218 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001179612459 787948830 /nfs/dbraw/zinc/94/88/30/787948830.db2.gz FFWVZMWZULHNJV-SCVCMEIPSA-N 1 0 346.453 -1.218 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179612708 787948310 /nfs/dbraw/zinc/94/83/10/787948310.db2.gz JHAYVJMQSCIKMR-CIUDSAMLSA-N 1 0 349.413 -2.302 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179612714 787949145 /nfs/dbraw/zinc/94/91/45/787949145.db2.gz JHAYVJMQSCIKMR-VGMNWLOBSA-N 1 0 349.413 -2.302 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179612997 787948719 /nfs/dbraw/zinc/94/87/19/787948719.db2.gz MDUJOEFGPQXHFG-DCAQKATOSA-N 1 0 334.442 -1.409 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179612999 787948849 /nfs/dbraw/zinc/94/88/49/787948849.db2.gz MDUJOEFGPQXHFG-VWYCJHECSA-N 1 0 334.442 -1.409 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179613008 787948389 /nfs/dbraw/zinc/94/83/89/787948389.db2.gz MMEADXVFXDEKOL-DCAQKATOSA-N 1 0 334.442 -1.361 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179613009 787948455 /nfs/dbraw/zinc/94/84/55/787948455.db2.gz MMEADXVFXDEKOL-VWYCJHECSA-N 1 0 334.442 -1.361 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179613209 787949188 /nfs/dbraw/zinc/94/91/88/787949188.db2.gz PEWHEKXCHSWYFO-BJDJZHNGSA-N 1 0 337.442 -1.490 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179613210 787948582 /nfs/dbraw/zinc/94/85/82/787948582.db2.gz PEWHEKXCHSWYFO-KXNHARMFSA-N 1 0 337.442 -1.490 20 0 EAADRO 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CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617268 787948876 /nfs/dbraw/zinc/94/88/76/787948876.db2.gz CIQVXRZKZBDHGM-KATARQTJSA-N 1 0 325.369 -1.702 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617269 787948095 /nfs/dbraw/zinc/94/80/95/787948095.db2.gz CIQVXRZKZBDHGM-XKNYDFJKSA-N 1 0 325.369 -1.702 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617414 787949130 /nfs/dbraw/zinc/94/91/30/787949130.db2.gz FCDBBSDVKINHNO-GUBZILKMSA-N 1 0 325.369 -1.700 20 0 EAADRO COCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617636 787949060 /nfs/dbraw/zinc/94/90/60/787949060.db2.gz JIOUZQFAFHSOTI-SRVKXCTJSA-N 1 0 342.396 -1.174 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179617637 787949003 /nfs/dbraw/zinc/94/90/03/787949003.db2.gz JNHJHHOXPJBHEB-FXQIFTODSA-N 1 0 340.340 -2.642 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179617681 787948796 /nfs/dbraw/zinc/94/87/96/787948796.db2.gz LFKBNPVOUWAUIZ-GUBZILKMSA-N 1 0 346.409 -1.792 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617705 787948142 /nfs/dbraw/zinc/94/81/42/787948142.db2.gz MICYDFQSXWFZSA-NAKRPEOUSA-N 1 0 328.369 -1.829 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617706 787948355 /nfs/dbraw/zinc/94/83/55/787948355.db2.gz MICYDFQSXWFZSA-VLEAKVRGSA-N 1 0 328.369 -1.829 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617774 787948473 /nfs/dbraw/zinc/94/84/73/787948473.db2.gz PQRJBBRZFPWWMF-DCAQKATOSA-N 1 0 339.396 -1.312 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179617821 787948237 /nfs/dbraw/zinc/94/82/37/787948237.db2.gz SGXIVQUEGAXNTG-DCAQKATOSA-N 1 0 328.369 -1.828 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179617901 787948662 /nfs/dbraw/zinc/94/86/62/787948662.db2.gz WJLHSCQNAVAZFN-LSJOCFKGSA-N 1 0 337.380 -1.558 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C)C(=O)N(C)C ZINC001179617913 787948650 /nfs/dbraw/zinc/94/86/50/787948650.db2.gz WVJZIWOTCSGBCZ-NAKRPEOUSA-N 1 0 339.396 -1.360 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C)C(=O)N(C)C ZINC001179617914 787948262 /nfs/dbraw/zinc/94/82/62/787948262.db2.gz WVJZIWOTCSGBCZ-RCWTZXSCSA-N 1 0 339.396 -1.360 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617933 787948323 /nfs/dbraw/zinc/94/83/23/787948323.db2.gz XQHBMDRZBUFCAE-DCAQKATOSA-N 1 0 339.396 -1.358 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179618034 787948404 /nfs/dbraw/zinc/94/84/04/787948404.db2.gz XVYMBSQYXAFYAV-GUBZILKMSA-N 1 0 325.369 -1.748 20 0 EAADRO COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179625957 787950586 /nfs/dbraw/zinc/95/05/86/787950586.db2.gz AVSDPLDSWLVJTK-SRVKXCTJSA-N 1 0 336.458 -1.004 20 0 EAADRO COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179625958 787949611 /nfs/dbraw/zinc/94/96/11/787949611.db2.gz AVSDPLDSWLVJTK-WOPDTQHZSA-N 1 0 336.458 -1.004 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179625999 787949999 /nfs/dbraw/zinc/94/99/99/787949999.db2.gz CJZYIJXQRCQCHJ-DCAQKATOSA-N 1 0 349.457 -1.904 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179626000 787949958 /nfs/dbraw/zinc/94/99/58/787949958.db2.gz CJZYIJXQRCQCHJ-VWYCJHECSA-N 1 0 349.457 -1.904 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001179626258 787949636 /nfs/dbraw/zinc/94/96/36/787949636.db2.gz FRSDHCJJEVNKSA-QWRGUYRKSA-N 1 0 349.457 -1.950 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C)C(N)=O ZINC001179626280 787950224 /nfs/dbraw/zinc/95/02/24/787950224.db2.gz GOOCXVNMKREUKI-AXFHLTTASA-N 1 0 349.457 -1.775 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C)C(N)=O ZINC001179626281 787950515 /nfs/dbraw/zinc/95/05/15/787950515.db2.gz GOOCXVNMKREUKI-DCAQKATOSA-N 1 0 349.457 -1.775 20 0 EAADRO CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179626284 787950233 /nfs/dbraw/zinc/95/02/33/787950233.db2.gz GVEKPMAFUDEYEF-SRVKXCTJSA-N 1 0 336.458 -1.004 20 0 EAADRO CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179626285 787950246 /nfs/dbraw/zinc/95/02/46/787950246.db2.gz GVEKPMAFUDEYEF-WOPDTQHZSA-N 1 0 336.458 -1.004 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C)C(N)=O ZINC001179626581 787949694 /nfs/dbraw/zinc/94/96/94/787949694.db2.gz KYHQANBSXDRLKS-GUBZILKMSA-N 1 0 335.430 -2.165 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C)C(N)=O ZINC001179626589 787949508 /nfs/dbraw/zinc/94/95/08/787949508.db2.gz KYHQANBSXDRLKS-UTLUCORTSA-N 1 0 335.430 -2.165 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179626823 787950372 /nfs/dbraw/zinc/95/03/72/787950372.db2.gz PBGJMZILXPBHJN-QWRGUYRKSA-N 1 0 349.457 -1.903 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCOC2)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001179627032 787950078 /nfs/dbraw/zinc/95/00/78/787950078.db2.gz UKIPEKZEHFSVRY-AVGNSLFASA-N 1 0 348.469 -1.002 20 0 EAADRO C[C@H]1[C@@H]([NH2+]C[C@H]2CCOC2)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001179627033 787949714 /nfs/dbraw/zinc/94/97/14/787949714.db2.gz UKIPEKZEHFSVRY-XQQFMLRXSA-N 1 0 348.469 -1.002 20 0 EAADRO COCCC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179627046 787949556 /nfs/dbraw/zinc/94/95/56/787949556.db2.gz UVBQNLCJOHCJEX-RYUDHWBXSA-N 1 0 336.458 -1.002 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001179627057 787950571 /nfs/dbraw/zinc/95/05/71/787950571.db2.gz UZPZMMUPWAPMJF-DCAQKATOSA-N 1 0 347.441 -2.150 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001179627058 787950357 /nfs/dbraw/zinc/95/03/57/787950357.db2.gz UZPZMMUPWAPMJF-GARJFASQSA-N 1 0 347.441 -2.150 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179627214 787950504 /nfs/dbraw/zinc/95/05/04/787950504.db2.gz XNAMRVZANPXWLA-UWVGGRQHSA-N 1 0 335.430 -2.293 20 0 EAADRO Cc1ccn(CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)c(=O)c1 ZINC001179627271 787950521 /nfs/dbraw/zinc/95/05/21/787950521.db2.gz ZRQKMLVHVKCLMT-RYUDHWBXSA-N 1 0 349.391 -1.069 20 0 EAADRO CCOCC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001179629942 787950312 /nfs/dbraw/zinc/95/03/12/787950312.db2.gz GSESUKKRBCMCAF-RYUDHWBXSA-N 1 0 336.458 -1.002 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)COC1CCOCC1 ZINC001179639787 787949767 /nfs/dbraw/zinc/94/97/67/787949767.db2.gz NOXNSIDBUSDUFN-JQWIXIFHSA-N 1 0 342.396 -1.044 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179644196 787948527 /nfs/dbraw/zinc/94/85/27/787948527.db2.gz BNQLQONULQDKHE-QWRGUYRKSA-N 1 0 334.442 -1.278 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC001179644245 787949987 /nfs/dbraw/zinc/94/99/87/787949987.db2.gz DGKVWGLNRONVJW-QWRGUYRKSA-N 1 0 347.379 -1.784 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179644554 787950611 /nfs/dbraw/zinc/95/06/11/787950611.db2.gz LNUYHOUGVWPXOH-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cn1ncn2nccc2c1=O ZINC001179644647 787950219 /nfs/dbraw/zinc/95/02/19/787950219.db2.gz POIQQLWNXDJHLR-RYUDHWBXSA-N 1 0 334.380 -1.148 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC001179644740 787950622 /nfs/dbraw/zinc/95/06/22/787950622.db2.gz TVGALMIKSFNFBD-ONGXEEELSA-N 1 0 337.380 -1.977 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C ZINC001179647954 787949574 /nfs/dbraw/zinc/94/95/74/787949574.db2.gz GAWRIXCTKHWBLD-IUCAKERBSA-N 1 0 339.352 -2.268 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001179648233 787950600 /nfs/dbraw/zinc/95/06/00/787950600.db2.gz JPAHHQQWBXTQBD-UWVGGRQHSA-N 1 0 326.353 -1.632 20 0 EAADRO COCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C ZINC001179648244 787950050 /nfs/dbraw/zinc/95/00/50/787950050.db2.gz JZZYXRDAMKGZQS-UWVGGRQHSA-N 1 0 326.353 -1.368 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)COC[C@H]1CCOC1 ZINC001179649156 787950539 /nfs/dbraw/zinc/95/05/39/787950539.db2.gz YYIUVAQESLKJEC-SRVKXCTJSA-N 1 0 342.396 -1.187 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)COC[C@@H]1CCOC1 ZINC001179649157 787949704 /nfs/dbraw/zinc/94/97/04/787949704.db2.gz YYIUVAQESLKJEC-TUAOUCFPSA-N 1 0 342.396 -1.187 20 0 EAADRO COCCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179656951 787950253 /nfs/dbraw/zinc/95/02/53/787950253.db2.gz UCVSNOWQDOUESA-AXFHLTTASA-N 1 0 330.385 -1.188 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179656953 787949683 /nfs/dbraw/zinc/94/96/83/787949683.db2.gz UCVSNOWQDOUESA-DCAQKATOSA-N 1 0 330.385 -1.188 20 0 EAADRO COc1cncc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)n1 ZINC001179663019 787949662 /nfs/dbraw/zinc/94/96/62/787949662.db2.gz CRAAICLXRPTYEJ-IUCAKERBSA-N 1 0 336.352 -1.127 20 0 EAADRO CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179666731 787949793 /nfs/dbraw/zinc/94/97/93/787949793.db2.gz BBCMANFTKMZFEA-DRZSPHRISA-N 1 0 328.413 -1.018 20 0 EAADRO CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179666847 787950422 /nfs/dbraw/zinc/95/04/22/787950422.db2.gz GCEPTZYXVDFIGH-UKJIMTQDSA-N 1 0 328.413 -1.020 20 0 EAADRO CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179666848 787949752 /nfs/dbraw/zinc/94/97/52/787949752.db2.gz GCEPTZYXVDFIGH-URBCHYCLSA-N 1 0 328.413 -1.020 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179666855 787949837 /nfs/dbraw/zinc/94/98/37/787949837.db2.gz GKWAPRYSPWGHEQ-LSJOCFKGSA-N 1 0 327.385 -2.309 20 0 EAADRO COCCC[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179666862 787949605 /nfs/dbraw/zinc/94/96/05/787949605.db2.gz GTTWSYBOMLIKNJ-DRZSPHRISA-N 1 0 328.413 -1.018 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCOC2)[C@@H]1C)C(N)=O ZINC001179666901 787949534 /nfs/dbraw/zinc/94/95/34/787949534.db2.gz IHFOIVIROXBDSK-GHYVTOPFSA-N 1 0 340.424 -1.018 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]1C)C(N)=O ZINC001179666902 787950469 /nfs/dbraw/zinc/95/04/69/787950469.db2.gz IHFOIVIROXBDSK-PYJNHQTQSA-N 1 0 340.424 -1.018 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179666914 787949758 /nfs/dbraw/zinc/94/97/58/787949758.db2.gz IPBSBYOPZBBVGW-DLOVCJGASA-N 1 0 341.412 -1.918 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C)C(N)=O ZINC001179666941 787950302 /nfs/dbraw/zinc/95/03/02/787950302.db2.gz JKYCCLMAEZAGHH-DRZSPHRISA-N 1 0 344.412 -2.046 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C)C(N)=O ZINC001179666977 787950606 /nfs/dbraw/zinc/95/06/06/787950606.db2.gz KWFDGJOZVKOKBU-DLOVCJGASA-N 1 0 341.412 -1.966 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C)C(N)=O ZINC001179667042 787949730 /nfs/dbraw/zinc/94/97/30/787949730.db2.gz OCHMYFVDFIYSAE-IFFSRLJSSA-N 1 0 327.385 -2.181 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C)C(N)=O ZINC001179667043 787949934 /nfs/dbraw/zinc/94/99/34/787949934.db2.gz OCHMYFVDFIYSAE-UUTMEEIUSA-N 1 0 327.385 -2.181 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C)C(N)=O ZINC001179667081 787950495 /nfs/dbraw/zinc/95/04/95/787950495.db2.gz QJOKFXVWHHWLRM-IELRGYKMSA-N 1 0 341.412 -1.791 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C)C(N)=O ZINC001179667082 787950462 /nfs/dbraw/zinc/95/04/62/787950462.db2.gz QJOKFXVWHHWLRM-VGDYDELISA-N 1 0 341.412 -1.791 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667139 787950555 /nfs/dbraw/zinc/95/05/55/787950555.db2.gz SCWBNHRGGCLZQF-QCZKYFFMSA-N 1 0 341.412 -1.920 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667140 787950098 /nfs/dbraw/zinc/95/00/98/787950098.db2.gz SCWBNHRGGCLZQF-QSFUFRPTSA-N 1 0 341.412 -1.920 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C)C(N)=O ZINC001179667176 787949888 /nfs/dbraw/zinc/94/98/88/787949888.db2.gz UECMRFOFMFFNDG-IXLVHKGHSA-N 1 0 339.396 -2.166 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C)C(N)=O ZINC001179667177 787950167 /nfs/dbraw/zinc/95/01/67/787950167.db2.gz UECMRFOFMFFNDG-VGDYDELISA-N 1 0 339.396 -2.166 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667283 787950563 /nfs/dbraw/zinc/95/05/63/787950563.db2.gz XXRQHDHWITUOFD-BQUFFADESA-N 1 0 344.412 -2.047 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667284 787951273 /nfs/dbraw/zinc/95/12/73/787951273.db2.gz XXRQHDHWITUOFD-RYDUCSDGSA-N 1 0 344.412 -2.047 20 0 EAADRO COC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667290 787951683 /nfs/dbraw/zinc/95/16/83/787951683.db2.gz YHAGHRBWEKWQMW-UKJIMTQDSA-N 1 0 328.413 -1.020 20 0 EAADRO COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667291 787951211 /nfs/dbraw/zinc/95/12/11/787951211.db2.gz YHAGHRBWEKWQMW-URBCHYCLSA-N 1 0 328.413 -1.020 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)CC(=O)N(C)C ZINC001179682427 787952034 /nfs/dbraw/zinc/95/20/34/787952034.db2.gz CUXDROYFMATQOP-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)CC(=O)N(C)C ZINC001179682446 787952027 /nfs/dbraw/zinc/95/20/27/787952027.db2.gz FCSQEPMQOCVIDJ-RYUDHWBXSA-N 1 0 348.469 -1.065 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C ZINC001179682465 787951240 /nfs/dbraw/zinc/95/12/40/787951240.db2.gz GIRIKJHZWNTRJS-UWVGGRQHSA-N 1 0 327.385 -1.501 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C ZINC001179682516 787951757 /nfs/dbraw/zinc/95/17/57/787951757.db2.gz IVSRTBMDTVWPDE-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001179686314 787949856 /nfs/dbraw/zinc/94/98/56/787949856.db2.gz IZJIXKYYMXUVHC-LLVKDONJSA-N 1 0 336.458 -1.064 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001179686315 787950532 /nfs/dbraw/zinc/95/05/32/787950532.db2.gz IZJIXKYYMXUVHC-NSHDSACASA-N 1 0 336.458 -1.064 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001179691813 787950130 /nfs/dbraw/zinc/95/01/30/787950130.db2.gz CQNAKXSSAFDAJL-SDDRHHMPSA-N 1 0 346.453 -1.313 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001179691814 787949781 /nfs/dbraw/zinc/94/97/81/787949781.db2.gz CQNAKXSSAFDAJL-SRVKXCTJSA-N 1 0 346.453 -1.313 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179691843 787950279 /nfs/dbraw/zinc/95/02/79/787950279.db2.gz DXYIFYUHERSHIM-DCAQKATOSA-N 1 0 332.426 -1.655 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179691844 787950444 /nfs/dbraw/zinc/95/04/44/787950444.db2.gz DXYIFYUHERSHIM-GARJFASQSA-N 1 0 332.426 -1.655 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001179691857 787949813 /nfs/dbraw/zinc/94/98/13/787949813.db2.gz FKTOIQVJARRVTP-AVGNSLFASA-N 1 0 349.453 -1.392 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001179691858 787950481 /nfs/dbraw/zinc/95/04/81/787950481.db2.gz FKTOIQVJARRVTP-RWMBFGLXSA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179691982 787950604 /nfs/dbraw/zinc/95/06/04/787950604.db2.gz IAIGVYFASHENFF-CYDGBPFRSA-N 1 0 349.453 -1.393 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179691986 787950489 /nfs/dbraw/zinc/95/04/89/787950489.db2.gz IAIGVYFASHENFF-QNWHQSFQSA-N 1 0 349.453 -1.393 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179691987 787950322 /nfs/dbraw/zinc/95/03/22/787950322.db2.gz IAIGVYFASHENFF-RNJOBUHISA-N 1 0 349.453 -1.393 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179691988 787949594 /nfs/dbraw/zinc/94/95/94/787949594.db2.gz IAIGVYFASHENFF-ZDEQEGDKSA-N 1 0 349.453 -1.393 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179692056 787949822 /nfs/dbraw/zinc/94/98/22/787949822.db2.gz KKNTVUAGDROEAQ-SDDRHHMPSA-N 1 0 346.453 -1.265 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001179692057 787949801 /nfs/dbraw/zinc/94/98/01/787949801.db2.gz KKNTVUAGDROEAQ-SRVKXCTJSA-N 1 0 346.453 -1.265 20 0 EAADRO CN(C)C(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695205 787950184 /nfs/dbraw/zinc/95/01/84/787950184.db2.gz IFHKMJKXKMYLFD-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C ZINC001179695357 787950144 /nfs/dbraw/zinc/95/01/44/787950144.db2.gz OJDUTUQTFKTMSK-JOFVHKCDSA-N 1 0 337.380 -1.700 20 0 EAADRO CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695418 787949844 /nfs/dbraw/zinc/94/98/44/787949844.db2.gz JDGYLEARHLDDAH-NSHDSACASA-N 1 0 341.412 -1.013 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695438 787949869 /nfs/dbraw/zinc/94/98/69/787949869.db2.gz KEEKCRYJWJTLSM-MNOVXSKESA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695439 787949979 /nfs/dbraw/zinc/94/99/79/787949979.db2.gz KEEKCRYJWJTLSM-QWRGUYRKSA-N 1 0 341.412 -1.015 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695440 787950348 /nfs/dbraw/zinc/95/03/48/787950348.db2.gz KFJKUOPLTIACMZ-JTQLQIEISA-N 1 0 327.385 -1.403 20 0 EAADRO COC[C@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695778 787950086 /nfs/dbraw/zinc/95/00/86/787950086.db2.gz OIZRPJRORHNPET-NEPJUHHUSA-N 1 0 344.412 -1.142 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695779 787949656 /nfs/dbraw/zinc/94/96/56/787949656.db2.gz OIZRPJRORHNPET-RYUDHWBXSA-N 1 0 344.412 -1.142 20 0 EAADRO O=C(NCCCCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695801 787950266 /nfs/dbraw/zinc/95/02/66/787950266.db2.gz OXHCJWYMLGDESW-MNOVXSKESA-N 1 0 339.396 -1.261 20 0 EAADRO O=C(NCCCCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695802 787949645 /nfs/dbraw/zinc/94/96/45/787949645.db2.gz OXHCJWYMLGDESW-QWRGUYRKSA-N 1 0 339.396 -1.261 20 0 EAADRO O=C(NCCCCCC[NH2+]CCOCCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001179696640 787950550 /nfs/dbraw/zinc/95/05/50/787950550.db2.gz XYDBPTQIOZWQOK-LBPRGKRZSA-N 1 0 344.412 -1.140 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001179696666 787949906 /nfs/dbraw/zinc/94/99/06/787949906.db2.gz YJHCZAHNBBMKSI-UWVGGRQHSA-N 1 0 327.385 -1.276 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001179696667 787950026 /nfs/dbraw/zinc/95/00/26/787950026.db2.gz YJHCZAHNBBMKSI-ZJUUUORDSA-N 1 0 327.385 -1.276 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C ZINC001179699033 787949720 /nfs/dbraw/zinc/94/97/20/787949720.db2.gz FCQNUFSTDMXDOO-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CC(=O)N(C)C ZINC001179699056 787949952 /nfs/dbraw/zinc/94/99/52/787949952.db2.gz GKZJFZHLJOIACD-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001179699115 787950403 /nfs/dbraw/zinc/95/04/03/787950403.db2.gz IJCOQBILMVLKIP-SRVKXCTJSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001179699116 787950595 /nfs/dbraw/zinc/95/05/95/787950595.db2.gz IJCOQBILMVLKIP-TUAOUCFPSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179699186 787949617 /nfs/dbraw/zinc/94/96/17/787949617.db2.gz LJBLMJGUWJWKND-GUBZILKMSA-N 1 0 327.385 -1.373 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179699187 787949914 /nfs/dbraw/zinc/94/99/14/787949914.db2.gz LJBLMJGUWJWKND-UTLUCORTSA-N 1 0 327.385 -1.373 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)[C@H]1C ZINC001179699214 787950387 /nfs/dbraw/zinc/95/03/87/787950387.db2.gz NEXIZUHKYZCPRL-AXFHLTTASA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)[C@H]1C ZINC001179699215 787950008 /nfs/dbraw/zinc/95/00/08/787950008.db2.gz NEXIZUHKYZCPRL-DCAQKATOSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C ZINC001179699329 787950193 /nfs/dbraw/zinc/95/01/93/787950193.db2.gz RTCCQAHNVCQLHA-DCAQKATOSA-N 1 0 341.412 -1.112 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C ZINC001179699330 787950116 /nfs/dbraw/zinc/95/01/16/787950116.db2.gz RTCCQAHNVCQLHA-VWYCJHECSA-N 1 0 341.412 -1.112 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001179699356 787950427 /nfs/dbraw/zinc/95/04/27/787950427.db2.gz SXSRDBFQMIVGRG-AEJSXWLSSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001179699357 787950061 /nfs/dbraw/zinc/95/00/61/787950061.db2.gz SXSRDBFQMIVGRG-GUBZILKMSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CC(=O)N(C)C ZINC001179699420 787950207 /nfs/dbraw/zinc/95/02/07/787950207.db2.gz WDLUJRIKBCSTMC-QWRGUYRKSA-N 1 0 339.396 -1.405 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179701609 787951439 /nfs/dbraw/zinc/95/14/39/787951439.db2.gz DOPHGAYPWDRPFD-UHFFFAOYSA-N 1 0 337.446 -1.866 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCCS(C)(=O)=O ZINC001179706574 787951350 /nfs/dbraw/zinc/95/13/50/787951350.db2.gz FLAUTWRXQHAFEW-UWVGGRQHSA-N 1 0 348.425 -1.415 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179706737 787951306 /nfs/dbraw/zinc/95/13/06/787951306.db2.gz IUNQHVHIXSBPKF-QWRGUYRKSA-N 1 0 344.441 -1.053 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cnn(C)n1 ZINC001179706750 787951037 /nfs/dbraw/zinc/95/10/37/787951037.db2.gz JGHAKKQIFNMARZ-UWVGGRQHSA-N 1 0 330.414 -1.443 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179707148 787951853 /nfs/dbraw/zinc/95/18/53/787951853.db2.gz LFQBKGQHYMOHJF-UWVGGRQHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)CCN1C(=O)c1cnn(C)n1 ZINC001179708227 787951158 /nfs/dbraw/zinc/95/11/58/787951158.db2.gz WAJMWBINECMOTP-ONGXEEELSA-N 1 0 349.395 -1.004 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cnn(C)n1 ZINC001179708424 787951826 /nfs/dbraw/zinc/95/18/26/787951826.db2.gz ZNIUWSGICLEZQH-QWRGUYRKSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)c1cnn(C)n1 ZINC001179708438 787951028 /nfs/dbraw/zinc/95/10/28/787951028.db2.gz ZNZBJFCKQAKMTL-QWRGUYRKSA-N 1 0 344.441 -1.101 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001179710072 787951257 /nfs/dbraw/zinc/95/12/57/787951257.db2.gz CGJRGBAGFXOCSA-JQWIXIFHSA-N 1 0 327.381 -1.373 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001179710123 787951530 /nfs/dbraw/zinc/95/15/30/787951530.db2.gz FPSYFMOJQWBFGP-CBAPKCEASA-N 1 0 339.352 -2.187 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC001179710174 787951131 /nfs/dbraw/zinc/95/11/31/787951131.db2.gz JEEHJCMOFATDSE-DLOVCJGASA-N 1 0 327.381 -1.375 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC001179710175 787951002 /nfs/dbraw/zinc/95/10/02/787951002.db2.gz JEEHJCMOFATDSE-WCQGTBRESA-N 1 0 327.381 -1.375 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001179710192 787951430 /nfs/dbraw/zinc/95/14/30/787951430.db2.gz JWVIMKTXWVIPMH-CABZTGNLSA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001179710406 787951902 /nfs/dbraw/zinc/95/19/02/787951902.db2.gz PHDIERWRQVLLNT-ONGXEEELSA-N 1 0 345.421 -1.337 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179714635 787951374 /nfs/dbraw/zinc/95/13/74/787951374.db2.gz DXBJWRGARKAODG-GUBZILKMSA-N 1 0 337.384 -1.148 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179714636 787951367 /nfs/dbraw/zinc/95/13/67/787951367.db2.gz DXBJWRGARKAODG-UTLUCORTSA-N 1 0 337.384 -1.148 20 0 EAADRO 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CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@@H]1C ZINC001179822084 787953070 /nfs/dbraw/zinc/95/30/70/787953070.db2.gz UMJLLJXOYQFHPK-WOPDTQHZSA-N 1 0 348.469 -1.019 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179822556 787953704 /nfs/dbraw/zinc/95/37/04/787953704.db2.gz ZYPAKQUOURVFQC-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)COCc1ncnn1C ZINC001179824656 787952641 /nfs/dbraw/zinc/95/26/41/787952641.db2.gz ANCGGLUHBPNOCN-RYUDHWBXSA-N 1 0 338.412 -1.001 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)COCc2nncn2C)[C@H]1C ZINC001179824714 787953084 /nfs/dbraw/zinc/95/30/84/787953084.db2.gz CEJDGEWZPWITQK-AVGNSLFASA-N 1 0 341.412 -1.082 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)COCc2nncn2C)[C@H]1C ZINC001179824715 787953479 /nfs/dbraw/zinc/95/34/79/787953479.db2.gz CEJDGEWZPWITQK-XQQFMLRXSA-N 1 0 341.412 -1.082 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)COCc1ncnn1C ZINC001179825193 787953093 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340.388 -1.476 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001179893791 787953141 /nfs/dbraw/zinc/95/31/41/787953141.db2.gz BRYPPFAXHROIBF-UWVGGRQHSA-N 1 0 330.414 -1.525 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001179893825 787953298 /nfs/dbraw/zinc/95/32/98/787953298.db2.gz CZOMQRLEQJDPSD-QWRGUYRKSA-N 1 0 349.395 -1.132 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC001179893865 787953767 /nfs/dbraw/zinc/95/37/67/787953767.db2.gz FBCWFXFLOZRXFK-UWVGGRQHSA-N 1 0 337.384 -1.228 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC001179894622 787953574 /nfs/dbraw/zinc/95/35/74/787953574.db2.gz IRKAEMBMTLWCQF-GUBZILKMSA-N 1 0 337.384 -1.230 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC001179894624 787953785 /nfs/dbraw/zinc/95/37/85/787953785.db2.gz IRKAEMBMTLWCQF-UTLUCORTSA-N 1 0 337.384 -1.230 20 0 EAADRO 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339.396 -1.371 20 0 EAADRO COc1c(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)cnn1C ZINC001180017233 787955733 /nfs/dbraw/zinc/95/57/33/787955733.db2.gz SDQLQEIKFRDOKG-WPRPVWTQSA-N 1 0 338.368 -1.184 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cc1nc[nH]n1 ZINC001180026435 787956179 /nfs/dbraw/zinc/95/61/79/787956179.db2.gz ITKOQHWRJQVDES-UHFFFAOYSA-N 1 0 325.373 -1.192 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCCC(=O)N1C ZINC001180028582 787956441 /nfs/dbraw/zinc/95/64/41/787956441.db2.gz QPWWFMIZHWKQDH-DCAQKATOSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCCC(=O)N1C ZINC001180028584 787956511 /nfs/dbraw/zinc/95/65/11/787956511.db2.gz QPWWFMIZHWKQDH-GARJFASQSA-N 1 0 339.396 -1.229 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H]1C ZINC001180032492 787956500 /nfs/dbraw/zinc/95/65/00/787956500.db2.gz BCHDITLYZFGWME-RYUDHWBXSA-N 1 0 348.469 -1.019 20 0 EAADRO 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ZINC001180156643 787961390 /nfs/dbraw/zinc/96/13/90/787961390.db2.gz AKDVNVHPGHJIKR-DCAQKATOSA-N 1 0 334.442 -1.409 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001180156644 787960530 /nfs/dbraw/zinc/96/05/30/787960530.db2.gz AKDVNVHPGHJIKR-VWYCJHECSA-N 1 0 334.442 -1.409 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C(C)C)[C@@H]1C ZINC001180156676 787961600 /nfs/dbraw/zinc/96/16/00/787961600.db2.gz BVDDPBJJROONTI-RYUDHWBXSA-N 1 0 348.469 -1.019 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)C)[C@@H]1C ZINC001180156686 787961076 /nfs/dbraw/zinc/96/10/76/787961076.db2.gz BXZCJXQGLVOXDQ-RYUDHWBXSA-N 1 0 348.469 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001180156751 787960628 /nfs/dbraw/zinc/96/06/28/787960628.db2.gz DNCFMZSFOUHETA-DCAQKATOSA-N 1 0 332.426 -1.655 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001180156753 787960942 /nfs/dbraw/zinc/96/09/42/787960942.db2.gz DNCFMZSFOUHETA-GARJFASQSA-N 1 0 332.426 -1.655 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C ZINC001180156770 787961661 /nfs/dbraw/zinc/96/16/61/787961661.db2.gz FMCVRUWQYBQRQF-JQWIXIFHSA-N 1 0 346.453 -1.359 20 0 EAADRO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180156795 787960566 /nfs/dbraw/zinc/96/05/66/787960566.db2.gz GJTJQBWGYQACPL-JQWIXIFHSA-N 1 0 344.441 -1.074 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C ZINC001180156878 787960758 /nfs/dbraw/zinc/96/07/58/787960758.db2.gz KMHLHAAMSDCHLE-JQWIXIFHSA-N 1 0 346.453 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001180156887 787960892 /nfs/dbraw/zinc/96/08/92/787960892.db2.gz LBVKWRAZSLCAGP-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180156890 787961342 /nfs/dbraw/zinc/96/13/42/787961342.db2.gz LCISROISCFASCG-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180156966 787961149 /nfs/dbraw/zinc/96/11/49/787961149.db2.gz NVGVHRCWGLOTBU-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001180156989 787960749 /nfs/dbraw/zinc/96/07/49/787960749.db2.gz PABWOMSPSRBBQQ-CIUDSAMLSA-N 1 0 349.413 -2.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001180156990 787961349 /nfs/dbraw/zinc/96/13/49/787961349.db2.gz PABWOMSPSRBBQQ-VGMNWLOBSA-N 1 0 349.413 -2.302 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180156999 787960444 /nfs/dbraw/zinc/96/04/44/787960444.db2.gz PNHNQZQTTBKXHR-IUCAKERBSA-N 1 0 349.413 -2.430 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C ZINC001180157017 787961535 /nfs/dbraw/zinc/96/15/35/787961535.db2.gz QREXHRDTECCQAI-QWRGUYRKSA-N 1 0 334.442 -1.361 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001180157037 787960647 /nfs/dbraw/zinc/96/06/47/787960647.db2.gz RSQFKUDZMBLHIM-QWRGUYRKSA-N 1 0 330.414 -1.594 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001180157045 787961210 /nfs/dbraw/zinc/96/12/10/787961210.db2.gz SDNPNQILCNJTQE-ONGXEEELSA-N 1 0 332.426 -1.607 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H]1C ZINC001180157059 787960660 /nfs/dbraw/zinc/96/06/60/787960660.db2.gz SWMYIEFQUVNSJT-ONGXEEELSA-N 1 0 330.414 -1.557 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001180157062 787961614 /nfs/dbraw/zinc/96/16/14/787961614.db2.gz UACZJFPHMRHTLI-IUCAKERBSA-N 1 0 346.413 -2.263 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CS(=O)(=O)NC)[C@H]2C)C1=O ZINC001180157065 787960843 /nfs/dbraw/zinc/96/08/43/787960843.db2.gz UHOQAKBHOGTUQF-SDDRHHMPSA-N 1 0 346.453 -1.265 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CS(=O)(=O)NC)[C@H]2C)C1=O ZINC001180157066 787961285 /nfs/dbraw/zinc/96/12/85/787961285.db2.gz UHOQAKBHOGTUQF-SRVKXCTJSA-N 1 0 346.453 -1.265 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180157070 787960859 /nfs/dbraw/zinc/96/08/59/787960859.db2.gz UNQMRHODRBJUTF-YUMQZZPRSA-N 1 0 335.386 -2.691 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001180157086 787961372 /nfs/dbraw/zinc/96/13/72/787961372.db2.gz VIDKCCFSHLVTON-NHCYSSNCSA-N 1 0 346.453 -1.218 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001180157087 787961030 /nfs/dbraw/zinc/96/10/30/787961030.db2.gz VIDKCCFSHLVTON-SCVCMEIPSA-N 1 0 346.453 -1.218 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CS(=O)(=O)NC(C)(C)C ZINC001180157096 787960795 /nfs/dbraw/zinc/96/07/95/787960795.db2.gz VZNVDPVMFXEZDG-UWVGGRQHSA-N 1 0 334.442 -1.231 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C ZINC001180157097 787961003 /nfs/dbraw/zinc/96/10/03/787961003.db2.gz WAUUPUPSNTWCOM-JQWIXIFHSA-N 1 0 346.453 -1.265 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1C ZINC001180157148 787961503 /nfs/dbraw/zinc/96/15/03/787961503.db2.gz YUNSELOQQMBQEC-UWVGGRQHSA-N 1 0 341.455 -1.841 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001180157149 787961189 /nfs/dbraw/zinc/96/11/89/787961189.db2.gz YWVAVASKNLEXMH-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001180157154 787960957 /nfs/dbraw/zinc/96/09/57/787960957.db2.gz ZGLZGBFXLAXNMG-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO CCCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180160569 787960929 /nfs/dbraw/zinc/96/09/29/787960929.db2.gz NHTBQVDKAMVDNW-UWVGGRQHSA-N 1 0 348.425 -1.415 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNC(=O)c2cnccn2)[C@H]1C ZINC001180163714 787961359 /nfs/dbraw/zinc/96/13/59/787961359.db2.gz YHRRKMQEPWZNEG-RYUDHWBXSA-N 1 0 348.407 -1.079 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCNC(=O)c1cnccn1 ZINC001180170575 787960708 /nfs/dbraw/zinc/96/07/08/787960708.db2.gz SYMNRIQLOHQEMB-QWRGUYRKSA-N 1 0 334.380 -1.339 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001180173465 787959342 /nfs/dbraw/zinc/95/93/42/787959342.db2.gz KSUOUBCAADICIP-GUBZILKMSA-N 1 0 346.409 -1.663 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001180173473 787960110 /nfs/dbraw/zinc/96/01/10/787960110.db2.gz KSUOUBCAADICIP-LPEHRKFASA-N 1 0 346.409 -1.663 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CS(=O)(=O)N(C)C ZINC001180174202 787960075 /nfs/dbraw/zinc/96/00/75/787960075.db2.gz RWLLTQHMDOYQCF-UHFFFAOYSA-N 1 0 336.458 -1.110 20 0 EAADRO Cc1nn(CC(=O)NCCCCCC[NH2+]CC(N)=O)c(=O)n1C ZINC001180179358 787959733 /nfs/dbraw/zinc/95/97/33/787959733.db2.gz RJWIKJYDEBQKNR-UHFFFAOYSA-N 1 0 326.401 -1.358 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001180179402 787959693 /nfs/dbraw/zinc/95/96/93/787959693.db2.gz UKURFXLLISXMAY-UHFFFAOYSA-N 1 0 340.428 -1.098 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001180179613 787960119 /nfs/dbraw/zinc/96/01/19/787960119.db2.gz UPZOPOJCDONVTC-CYBMUJFWSA-N 1 0 328.413 -1.015 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001180179656 787959592 /nfs/dbraw/zinc/95/95/92/787959592.db2.gz UPZOPOJCDONVTC-ZDUSSCGKSA-N 1 0 328.413 -1.015 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001180182860 787959993 /nfs/dbraw/zinc/95/99/93/787959993.db2.gz RFEUKBCEPNRIJJ-SDDRHHMPSA-N 1 0 341.412 -1.519 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001180182861 787959602 /nfs/dbraw/zinc/95/96/02/787959602.db2.gz RFEUKBCEPNRIJJ-SRVKXCTJSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C)C(N)=O ZINC001180191503 787962581 /nfs/dbraw/zinc/96/25/81/787962581.db2.gz GBXKJPUXMAACSN-DCAQKATOSA-N 1 0 334.442 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CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C ZINC001180194137 787962099 /nfs/dbraw/zinc/96/20/99/787962099.db2.gz OVGSPTXZJBAPEL-SRVKXCTJSA-N 1 0 348.469 -1.019 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C ZINC001180194138 787962476 /nfs/dbraw/zinc/96/24/76/787962476.db2.gz OVGSPTXZJBAPEL-WOPDTQHZSA-N 1 0 348.469 -1.019 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C ZINC001180194156 787962706 /nfs/dbraw/zinc/96/27/06/787962706.db2.gz PRMPJRYOTZJNMU-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC001180198335 787962842 /nfs/dbraw/zinc/96/28/42/787962842.db2.gz UDUVFFFHMCESGN-AXFHLTTASA-N 1 0 349.395 -1.386 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCc2nncn2C1 ZINC001180198336 787962066 /nfs/dbraw/zinc/96/20/66/787962066.db2.gz UDUVFFFHMCESGN-DCAQKATOSA-N 1 0 349.395 -1.386 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CNC(=O)C1CCC1 ZINC001180201415 787961312 /nfs/dbraw/zinc/96/13/12/787961312.db2.gz RNZQPZZGUYOQIH-ONGXEEELSA-N 1 0 339.396 -1.323 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@H]1C ZINC001180204364 787960907 /nfs/dbraw/zinc/96/09/07/787960907.db2.gz OZBDCBXYBRKVRP-QWRGUYRKSA-N 1 0 337.384 -2.281 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CNC(=O)Cn1cncn1 ZINC001180204635 787961590 /nfs/dbraw/zinc/96/15/90/787961590.db2.gz WOPBWCBNPSVMEK-SDDRHHMPSA-N 1 0 349.395 -2.138 20 0 EAADRO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CNC(=O)Cn1cncn1 ZINC001180204636 787961678 /nfs/dbraw/zinc/96/16/78/787961678.db2.gz WOPBWCBNPSVMEK-SRVKXCTJSA-N 1 0 349.395 -2.138 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@H]1C)C(N)=O ZINC001180207700 787961016 /nfs/dbraw/zinc/96/10/16/787961016.db2.gz CKFWMCJMRWZAFE-DCAQKATOSA-N 1 0 337.384 -2.153 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@H]1C)C(N)=O ZINC001180207701 787961399 /nfs/dbraw/zinc/96/13/99/787961399.db2.gz CKFWMCJMRWZAFE-VWYCJHECSA-N 1 0 337.384 -2.153 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001180211325 787961449 /nfs/dbraw/zinc/96/14/49/787961449.db2.gz DEUBMQPVSGOOOU-ONGXEEELSA-N 1 0 349.395 -1.765 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001180211729 787961384 /nfs/dbraw/zinc/96/13/84/787961384.db2.gz PMGUEKVQNXSHFE-AXFHLTTASA-N 1 0 340.384 -2.037 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001180211730 787960476 /nfs/dbraw/zinc/96/04/76/787960476.db2.gz PMGUEKVQNXSHFE-DCAQKATOSA-N 1 0 340.384 -2.037 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001180211740 787961513 /nfs/dbraw/zinc/96/15/13/787961513.db2.gz PQVQRIIVLLCJHM-UWVGGRQHSA-N 1 0 337.384 -1.908 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001180211753 787961063 /nfs/dbraw/zinc/96/10/63/787961063.db2.gz QDGRCIXFUCLCIA-UWVGGRQHSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001180211870 787960830 /nfs/dbraw/zinc/96/08/30/787960830.db2.gz QZMWOOAFYREDAV-QWRGUYRKSA-N 1 0 340.384 -2.035 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001180211975 787961264 /nfs/dbraw/zinc/96/12/64/787961264.db2.gz WRMJUJFXFJNYFA-RYUDHWBXSA-N 1 0 338.412 -1.059 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001180211999 787961437 /nfs/dbraw/zinc/96/14/37/787961437.db2.gz XRJZIEASVMBBMK-GUBZILKMSA-N 1 0 337.384 -1.910 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001180212022 787961468 /nfs/dbraw/zinc/96/14/68/787961468.db2.gz XRJZIEASVMBBMK-UTLUCORTSA-N 1 0 337.384 -1.910 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1cncn1 ZINC001180219806 787961248 /nfs/dbraw/zinc/96/12/48/787961248.db2.gz BIDOQWXKGFYJMM-UHFFFAOYSA-N 1 0 325.373 -1.261 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)Cn1cncn1 ZINC001180220380 787961522 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XJJZFLAGNSBJNA-GUBZILKMSA-N 1 0 348.425 -1.417 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001180222954 787960458 /nfs/dbraw/zinc/96/04/58/787960458.db2.gz XJJZFLAGNSBJNA-UTLUCORTSA-N 1 0 348.425 -1.417 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001180222977 787960735 /nfs/dbraw/zinc/96/07/35/787960735.db2.gz XPVGSEUJLLSLDE-DCAQKATOSA-N 1 0 345.421 -1.195 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001180222978 787962081 /nfs/dbraw/zinc/96/20/81/787962081.db2.gz XPVGSEUJLLSLDE-GARJFASQSA-N 1 0 345.421 -1.195 20 0 EAADRO COC[C@H](O)C[NH2+]CCCCCCNC(=O)CN1C(=O)CNC1=O ZINC001180223511 787962773 /nfs/dbraw/zinc/96/27/73/787962773.db2.gz AKJHMCZJFWTQOQ-GFCCVEGCSA-N 1 0 344.412 -1.188 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCCCCNC(=O)CN1C(=O)CNC1=O ZINC001180223512 787962495 /nfs/dbraw/zinc/96/24/95/787962495.db2.gz AKJHMCZJFWTQOQ-LBPRGKRZSA-N 1 0 344.412 -1.188 20 0 EAADRO NC(=O)C[NH2+]CCCCCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001180223726 787962419 /nfs/dbraw/zinc/96/24/19/787962419.db2.gz HORDSRWVDGNABH-JTQLQIEISA-N 1 0 327.385 -1.274 20 0 EAADRO NC(=O)C[NH2+]CCCCCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001180223727 787961974 /nfs/dbraw/zinc/96/19/74/787961974.db2.gz HORDSRWVDGNABH-SNVBAGLBSA-N 1 0 327.385 -1.274 20 0 EAADRO CCNC(=O)C[NH2+]CCCCCCNC(=O)CN1C(=O)CNC1=O ZINC001180223741 787962311 /nfs/dbraw/zinc/96/23/11/787962311.db2.gz HSDXLKGUXIOKML-UHFFFAOYSA-N 1 0 341.412 -1.060 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001180223743 787962576 /nfs/dbraw/zinc/96/25/76/787962576.db2.gz HTXSUELYKFLFQD-UHFFFAOYSA-N 1 0 341.412 -1.107 20 0 EAADRO CN1CC(=O)N(CC(=O)NCCCCCC[NH2+]CC(N)=O)C1=O ZINC001180223746 787962763 /nfs/dbraw/zinc/96/27/63/787962763.db2.gz HVHIFMBPZYNWAM-UHFFFAOYSA-N 1 0 327.385 -1.368 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCCCCCC[NH2+]CCOCCO ZINC001180224120 787962672 /nfs/dbraw/zinc/96/26/72/787962672.db2.gz RFNYAMVNIOIWOC-UHFFFAOYSA-N 1 0 344.412 -1.187 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001180224154 787962837 /nfs/dbraw/zinc/96/28/37/787962837.db2.gz SXGNNRBEVROJPM-LLVKDONJSA-N 1 0 339.396 -1.307 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001180224155 787962737 /nfs/dbraw/zinc/96/27/37/787962737.db2.gz SXGNNRBEVROJPM-NSHDSACASA-N 1 0 339.396 -1.307 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001180224173 787962385 /nfs/dbraw/zinc/96/23/85/787962385.db2.gz UQRIHSSBLDNFRV-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001180224174 787962783 /nfs/dbraw/zinc/96/27/83/787962783.db2.gz UQRIHSSBLDNFRV-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1C(=O)CNC1=O ZINC001180224373 787961965 /nfs/dbraw/zinc/96/19/65/787961965.db2.gz XHRQIRYHFRYKAS-UHFFFAOYSA-N 1 0 327.385 -1.450 20 0 EAADRO CNC(=O)C[NH2+]CCCCCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001180224386 787961994 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Cn1[nH]c(C[NH2+]CCCCCCNC(=O)CCNC(N)=O)nc1=O ZINC001180228229 787962594 /nfs/dbraw/zinc/96/25/94/787962594.db2.gz XQRTUDFMEYZVNV-UHFFFAOYSA-N 1 0 341.416 -1.067 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CCNC(N)=O ZINC001180228238 787962542 /nfs/dbraw/zinc/96/25/42/787962542.db2.gz YAEOGEGHKKPYBW-UHFFFAOYSA-N 1 0 344.416 -1.233 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)[C@H]1C ZINC001180230585 787962787 /nfs/dbraw/zinc/96/27/87/787962787.db2.gz GQIWCZBNCLSBLT-SRVKXCTJSA-N 1 0 326.397 -1.076 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)[C@H]1C ZINC001180230591 787962686 /nfs/dbraw/zinc/96/26/86/787962686.db2.gz GQIWCZBNCLSBLT-TUAOUCFPSA-N 1 0 326.397 -1.076 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001180230743 787962717 /nfs/dbraw/zinc/96/27/17/787962717.db2.gz MJUDQUBDLCUIIF-IUCAKERBSA-N 1 0 338.368 -1.889 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001180230799 787962264 /nfs/dbraw/zinc/96/22/64/787962264.db2.gz OCUCKUSGTHOHPL-QWRGUYRKSA-N 1 0 344.437 -1.039 20 0 EAADRO CCOCCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180231150 787962113 /nfs/dbraw/zinc/96/21/13/787962113.db2.gz WEIOEYHQHLVOSP-QWRGUYRKSA-N 1 0 330.385 -1.187 20 0 EAADRO C[C@H]([NH2+]CCCCCCNC(=O)CCNC(N)=O)C(=O)NC(N)=O ZINC001180231984 787962825 /nfs/dbraw/zinc/96/28/25/787962825.db2.gz GMCDNASVNOZCLD-JTQLQIEISA-N 1 0 344.416 -1.106 20 0 EAADRO C[C@@H]([NH2+]CCCCCCNC(=O)CCNC(N)=O)C(=O)NC(N)=O ZINC001180231985 787962700 /nfs/dbraw/zinc/96/27/00/787962700.db2.gz GMCDNASVNOZCLD-SNVBAGLBSA-N 1 0 344.416 -1.106 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001180234681 787962364 /nfs/dbraw/zinc/96/23/64/787962364.db2.gz GZHCEGJAKNXPLR-RYUDHWBXSA-N 1 0 326.397 -1.075 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180238920 787962885 /nfs/dbraw/zinc/96/28/85/787962885.db2.gz TTWNXHWGVUYILZ-ZMLRMANQSA-N 1 0 339.396 -1.229 20 0 EAADRO Nc1n[nH]c(CC(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)n1 ZINC001180242549 787962467 /nfs/dbraw/zinc/96/24/67/787962467.db2.gz PDCSSWLJHWFJBC-UHFFFAOYSA-N 1 0 346.395 -1.114 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180243047 787962049 /nfs/dbraw/zinc/96/20/49/787962049.db2.gz VXMWGEVRYMOGFJ-GUBZILKMSA-N 1 0 348.425 -1.559 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180243048 787962429 /nfs/dbraw/zinc/96/24/29/787962429.db2.gz VXMWGEVRYMOGFJ-UTLUCORTSA-N 1 0 348.425 -1.559 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1cccc(C(N)=O)n1 ZINC001180247524 787962551 /nfs/dbraw/zinc/96/25/51/787962551.db2.gz YSPOHEPRYLOCNL-IUCAKERBSA-N 1 0 348.363 -1.432 20 0 EAADRO Cn1cc(C(=O)NCCCCCC[NH2+]CC(N)=O)c(=O)[nH]c1=O ZINC001180255830 787962213 /nfs/dbraw/zinc/96/22/13/787962213.db2.gz BIGPIDKAJCXLGH-UHFFFAOYSA-N 1 0 325.369 -1.149 20 0 EAADRO NC(=O)C[NH2+]CCCCCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001180259925 787961980 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Cc1ncc(C[NH3+])c(=N)n1C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180268555 787964086 /nfs/dbraw/zinc/96/40/86/787964086.db2.gz LVLDZHHPVDAPPU-UHFFFAOYSA-N 1 0 334.380 -1.101 20 0 EAADRO O=C(CCC(=O)N1CCNC(=O)CC1)N[C@@H](CO)Cc1c[nH]cn1 ZINC001180272187 787964093 /nfs/dbraw/zinc/96/40/93/787964093.db2.gz DCONEHFCKXRJMH-GFCCVEGCSA-N 1 0 337.380 -1.442 20 0 EAADRO C[NH+]1CCC(CO)(NC(=O)CCC(=O)N2CCNC(=O)CC2)CC1 ZINC001180273144 787963544 /nfs/dbraw/zinc/96/35/44/787963544.db2.gz HQLIOYWGIOOMRB-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO CCOC(=O)CN(CC[NH3+])C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180273400 787963657 /nfs/dbraw/zinc/96/36/57/787963657.db2.gz XNCGGWMDAUQVDW-UHFFFAOYSA-N 1 0 342.396 -1.535 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccc(C(N)=O)cn1 ZINC001180276475 787965626 /nfs/dbraw/zinc/96/56/26/787965626.db2.gz UJEOBYWJYQJTLV-WPRPVWTQSA-N 1 0 348.363 -1.432 20 0 EAADRO COCCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180280392 787965445 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326.397 -1.264 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CCCC(N)=O ZINC001180295253 787964685 /nfs/dbraw/zinc/96/46/85/787964685.db2.gz IMINOJKCDSKQNZ-QWRGUYRKSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C)C(=O)NC(N)=O ZINC001180295388 787965399 /nfs/dbraw/zinc/96/53/99/787965399.db2.gz NILYCXYAJRBFST-GUBZILKMSA-N 1 0 327.385 -1.196 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C)C(=O)NC(N)=O ZINC001180295391 787964710 /nfs/dbraw/zinc/96/47/10/787964710.db2.gz NILYCXYAJRBFST-UTLUCORTSA-N 1 0 327.385 -1.196 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCCC(N)=O ZINC001180295420 787964667 /nfs/dbraw/zinc/96/46/67/787964667.db2.gz NYIXWYARVHRIJH-QWRGUYRKSA-N 1 0 334.442 -1.230 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCCCCC[NH2+]CCOCCO ZINC001180299051 787963762 /nfs/dbraw/zinc/96/37/62/787963762.db2.gz CEDRZQVZDGFNGN-UHFFFAOYSA-N 1 0 339.458 -1.189 20 0 EAADRO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCc1cn(C)nn1 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336.458 -1.110 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001180309395 787965330 /nfs/dbraw/zinc/96/53/30/787965330.db2.gz JOKRFONAGXKVLC-LLVKDONJSA-N 1 0 334.442 -1.310 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001180309396 787965278 /nfs/dbraw/zinc/96/52/78/787965278.db2.gz JOKRFONAGXKVLC-NSHDSACASA-N 1 0 334.442 -1.310 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCCCCC[NH2+]C[C@@H](O)COC ZINC001180309423 787965438 /nfs/dbraw/zinc/96/54/38/787965438.db2.gz KOCSGXYQNPYZGY-GFCCVEGCSA-N 1 0 339.458 -1.191 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCCCCC[NH2+]C[C@H](O)COC ZINC001180309424 787964832 /nfs/dbraw/zinc/96/48/32/787964832.db2.gz KOCSGXYQNPYZGY-LBPRGKRZSA-N 1 0 339.458 -1.191 20 0 EAADRO CNS(=O)(=O)CC(=O)NCCCCCC[NH2+]Cc1nnnn1C ZINC001180309518 787964935 /nfs/dbraw/zinc/96/49/35/787964935.db2.gz OABRWOFXCOUGKX-UHFFFAOYSA-N 1 0 347.445 -1.475 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)CS(=O)(=O)NC ZINC001180309773 787965518 /nfs/dbraw/zinc/96/55/18/787965518.db2.gz 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EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001180897210 789653686 /nfs/dbraw/zinc/65/36/86/789653686.db2.gz DUEVVKMYEUIKOL-LLVKDONJSA-N 1 0 327.385 -1.860 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001180897219 789654344 /nfs/dbraw/zinc/65/43/44/789654344.db2.gz FHNXHDSRQPBTRQ-GFCCVEGCSA-N 1 0 334.380 -1.443 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897575 789653844 /nfs/dbraw/zinc/65/38/44/789653844.db2.gz NBDZJIDXEIERKC-SECBINFHSA-N 1 0 328.373 -1.919 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897874 789654436 /nfs/dbraw/zinc/65/44/36/789654436.db2.gz VEHALUGZDNZWLS-DTWKUNHWSA-N 1 0 328.373 -1.921 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897875 789653872 /nfs/dbraw/zinc/65/38/72/789653872.db2.gz VEHALUGZDNZWLS-RKDXNWHRSA-N 1 0 328.373 -1.921 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001180897935 789654448 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EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001180905492 789651980 /nfs/dbraw/zinc/65/19/80/789651980.db2.gz DNUPHAORWPYYHM-SECBINFHSA-N 1 0 326.357 -3.196 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001180905505 789651793 /nfs/dbraw/zinc/65/17/93/789651793.db2.gz FIEQHDIIGUNYEG-LLVKDONJSA-N 1 0 332.426 -1.330 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001180905944 789652936 /nfs/dbraw/zinc/65/29/36/789652936.db2.gz HBSIMIFHICIBBU-SECBINFHSA-N 1 0 326.357 -2.167 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001180905968 789652091 /nfs/dbraw/zinc/65/20/91/789652091.db2.gz IMVQZHFCLWKKOP-GHMZBOCLSA-N 1 0 332.426 -1.330 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001180905969 789652001 /nfs/dbraw/zinc/65/20/01/789652001.db2.gz IMVQZHFCLWKKOP-WDEREUQCSA-N 1 0 332.426 -1.330 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001180905978 789651616 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ZINC001181337504 789660588 /nfs/dbraw/zinc/66/05/88/789660588.db2.gz YRELJJDTBALNFC-TVLCNXBWSA-N 1 0 341.368 -1.636 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181337583 789661512 /nfs/dbraw/zinc/66/15/12/789661512.db2.gz UJFSPBHFMQDVKU-SECBINFHSA-N 1 0 334.398 -1.933 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001181337585 789661309 /nfs/dbraw/zinc/66/13/09/789661309.db2.gz UKLRJURECQZLBV-GFCCVEGCSA-N 1 0 347.437 -1.483 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001181337826 789661181 /nfs/dbraw/zinc/66/11/81/789661181.db2.gz VACQLJWXNMJRDZ-MRVPVSSYSA-N 1 0 347.422 -1.288 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001181337940 789661234 /nfs/dbraw/zinc/66/12/34/789661234.db2.gz YYIQGTKLZFKMMN-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001181337941 789661326 /nfs/dbraw/zinc/66/13/26/789661326.db2.gz YYIQGTKLZFKMMN-VXGBXAGGSA-N 1 0 347.437 -1.483 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181337947 789661481 /nfs/dbraw/zinc/66/14/81/789661481.db2.gz ZHVVFPPKMIELGZ-GFCCVEGCSA-N 1 0 335.426 -1.626 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001181344876 789661064 /nfs/dbraw/zinc/66/10/64/789661064.db2.gz CCLQIRVMQBJPBC-GPCCPHFNSA-N 1 0 337.384 -1.107 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001181344878 789661627 /nfs/dbraw/zinc/66/16/27/789661627.db2.gz CCLQIRVMQBJPBC-ISTVAULSSA-N 1 0 337.384 -1.107 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001181346638 789661213 /nfs/dbraw/zinc/66/12/13/789661213.db2.gz ULPFFZGIJYSSEX-YMTOWFKASA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001181356970 789661085 /nfs/dbraw/zinc/66/10/85/789661085.db2.gz WGINYRZXZUTLFY-YMTOWFKASA-N 1 0 337.384 -1.302 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001181369291 789661683 /nfs/dbraw/zinc/66/16/83/789661683.db2.gz CPQHUSHMUXAVHW-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001181369689 789661278 /nfs/dbraw/zinc/66/12/78/789661278.db2.gz NEQKGPHFMHUHBJ-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001181370352 789660967 /nfs/dbraw/zinc/66/09/67/789660967.db2.gz TVIXEEYTUWRJIK-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001181370664 789661111 /nfs/dbraw/zinc/66/11/11/789661111.db2.gz YBFFJJCVVUBJMU-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001181377312 789661782 /nfs/dbraw/zinc/66/17/82/789661782.db2.gz HKWIZDUMLURKEW-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO CC(C)OCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181386133 789661822 /nfs/dbraw/zinc/66/18/22/789661822.db2.gz HUAISOIHHXLIRS-GFCCVEGCSA-N 1 0 326.397 -1.440 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001181395085 789660747 /nfs/dbraw/zinc/66/07/47/789660747.db2.gz FMUVYIBOFMZHBG-GHMZBOCLSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001181395087 789661576 /nfs/dbraw/zinc/66/15/76/789661576.db2.gz FMUVYIBOFMZHBG-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001181395128 789661335 /nfs/dbraw/zinc/66/13/35/789661335.db2.gz HESKTASPBRELDL-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001181395129 789661556 /nfs/dbraw/zinc/66/15/56/789661556.db2.gz HESKTASPBRELDL-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001181396438 789661156 /nfs/dbraw/zinc/66/11/56/789661156.db2.gz WMVYTUNGLGXPGA-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCO[C@H](CC)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181403687 789663848 /nfs/dbraw/zinc/66/38/48/789663848.db2.gz ANHYRURZDOGIQJ-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CCO[C@@H](CC)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181403689 789663001 /nfs/dbraw/zinc/66/30/01/789663001.db2.gz ANHYRURZDOGIQJ-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1=O ZINC001181422455 789660991 /nfs/dbraw/zinc/66/09/91/789660991.db2.gz WCSOSDUNJYDINI-XHDPSFHLSA-N 1 0 340.380 -1.778 20 0 EAADRO CCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181434753 789663518 /nfs/dbraw/zinc/66/35/18/789663518.db2.gz PZOXKZFXVOPVDU-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1 ZINC001181448081 789663985 /nfs/dbraw/zinc/66/39/85/789663985.db2.gz KHRWSHGYCKFCRN-JTNHKYCSSA-N 1 0 348.469 -1.126 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001181448083 789662485 /nfs/dbraw/zinc/66/24/85/789662485.db2.gz KHRWSHGYCKFCRN-UHIISALHSA-N 1 0 348.469 -1.126 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181448346 789663807 /nfs/dbraw/zinc/66/38/07/789663807.db2.gz NPUYGWOXOSDNQD-ZWNOBZJWSA-N 1 0 334.442 -1.515 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001181449200 789663921 /nfs/dbraw/zinc/66/39/21/789663921.db2.gz YBCOWALGBNDTOV-BXUZGUMPSA-N 1 0 348.469 -1.254 20 0 EAADRO Cn1nccc1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001181461401 789663123 /nfs/dbraw/zinc/66/31/23/789663123.db2.gz QYMFSMHFAPSXKW-NEPJUHHUSA-N 1 0 349.391 -1.266 20 0 EAADRO Cn1nccc1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001181461402 789664028 /nfs/dbraw/zinc/66/40/28/789664028.db2.gz QYMFSMHFAPSXKW-VXGBXAGGSA-N 1 0 349.391 -1.266 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001181477154 789662737 /nfs/dbraw/zinc/66/27/37/789662737.db2.gz XXMQDCDPIJTMJR-GFCCVEGCSA-N 1 0 336.396 -1.001 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001181486117 789662804 /nfs/dbraw/zinc/66/28/04/789662804.db2.gz CTNPNVDBKNAUPO-CMPLNLGQSA-N 1 0 336.396 -1.003 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001181486118 789662936 /nfs/dbraw/zinc/66/29/36/789662936.db2.gz CTNPNVDBKNAUPO-ZYHUDNBSSA-N 1 0 336.396 -1.003 20 0 EAADRO Cn1cc(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)cn1 ZINC001181487615 789662882 /nfs/dbraw/zinc/66/28/82/789662882.db2.gz MSDNRKXALBZHKC-GFCCVEGCSA-N 1 0 329.426 -1.298 20 0 EAADRO COCCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181492647 789663863 /nfs/dbraw/zinc/66/38/63/789663863.db2.gz ILSUKGGKNOFLNL-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181517080 789663058 /nfs/dbraw/zinc/66/30/58/789663058.db2.gz FVSLEMQVNCFVLD-YMTOWFKASA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@]1(C)C[NH2+]CCCO ZINC001181518159 789662858 /nfs/dbraw/zinc/66/28/58/789662858.db2.gz PFJQGWHRTYKXJM-IAQYHMDHSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001181518478 789663417 /nfs/dbraw/zinc/66/34/17/789663417.db2.gz SFFIHTMOWXIKEM-JRPNMDOOSA-N 1 0 338.412 -1.168 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001181518479 789663760 /nfs/dbraw/zinc/66/37/60/789663760.db2.gz SFFIHTMOWXIKEM-UEKVPHQBSA-N 1 0 338.412 -1.168 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001181525192 789663273 /nfs/dbraw/zinc/66/32/73/789663273.db2.gz GQKXSRLBNVILGE-ZWNOBZJWSA-N 1 0 334.388 -1.529 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001181525985 789662601 /nfs/dbraw/zinc/66/26/01/789662601.db2.gz ZDRMGXJOMSXONC-IUODEOHRSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001181532851 789662445 /nfs/dbraw/zinc/66/24/45/789662445.db2.gz BFJNOUDHZOVLQE-TZMCWYRMSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+]CCS(C)(=O)=O ZINC001181532860 789663243 /nfs/dbraw/zinc/66/32/43/789663243.db2.gz BRXPLTXPCHPBKX-DGCLKSJQSA-N 1 0 344.441 -1.208 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001181533086 789662646 /nfs/dbraw/zinc/66/26/46/789662646.db2.gz LPLKCTWBDZKNLA-MBNYWOFBSA-N 1 0 326.401 -1.245 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001181533087 789662618 /nfs/dbraw/zinc/66/26/18/789662618.db2.gz LPLKCTWBDZKNLA-YRGRVCCFSA-N 1 0 326.401 -1.245 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001181533331 789663293 /nfs/dbraw/zinc/66/32/93/789663293.db2.gz RUXYKXJDJXZJAM-NOZJJQNGSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001181533448 789663400 /nfs/dbraw/zinc/66/34/00/789663400.db2.gz WMAJFDNWLGJXKX-QMTHXVAHSA-N 1 0 349.399 -1.631 20 0 EAADRO [NH3+]CCN(CCNC(=O)CC1CCS(=O)(=O)CC1)N(O)N=O ZINC001181543834 789663617 /nfs/dbraw/zinc/66/36/17/789663617.db2.gz NTUCXSLRXISMET-UHFFFAOYSA-N 1 0 337.402 -1.134 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C23CC[NH+](CC2)CC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001181555929 789663079 /nfs/dbraw/zinc/66/30/79/789663079.db2.gz TWGRQSLFSHJYDG-MQLXINIDSA-N 1 0 344.408 -1.567 20 0 EAADRO CCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181559404 789663949 /nfs/dbraw/zinc/66/39/49/789663949.db2.gz WPDXNLFKHGYWRC-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181564691 789664471 /nfs/dbraw/zinc/66/44/71/789664471.db2.gz LEWCHYNKRFMETG-JRPNMDOOSA-N 1 0 328.413 -1.303 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181564697 789664968 /nfs/dbraw/zinc/66/49/68/789664968.db2.gz LEWCHYNKRFMETG-UEKVPHQBSA-N 1 0 328.413 -1.303 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C ZINC001181566782 789664827 /nfs/dbraw/zinc/66/48/27/789664827.db2.gz XJCMZMUPQJNPPX-BFQNTYOBSA-N 1 0 342.440 -1.042 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C ZINC001181566784 789664771 /nfs/dbraw/zinc/66/47/71/789664771.db2.gz XJCMZMUPQJNPPX-XHBSWPGZSA-N 1 0 342.440 -1.042 20 0 EAADRO CO[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181568733 789664039 /nfs/dbraw/zinc/66/40/39/789664039.db2.gz HRJIHDVGDVJCJV-NWDGAFQWSA-N 1 0 326.397 -1.440 20 0 EAADRO CO[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181568734 789662527 /nfs/dbraw/zinc/66/25/27/789662527.db2.gz HRJIHDVGDVJCJV-VXGBXAGGSA-N 1 0 326.397 -1.440 20 0 EAADRO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(N)=O ZINC001181573012 789663727 /nfs/dbraw/zinc/66/37/27/789663727.db2.gz HNSSNHWQNRTCHM-GPCCPHFNSA-N 1 0 331.438 -1.021 20 0 EAADRO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(N)=O 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CCNC(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001181590659 789664975 /nfs/dbraw/zinc/66/49/75/789664975.db2.gz RJGXHXRSYHMHPS-WDEREUQCSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001181590663 789665329 /nfs/dbraw/zinc/66/53/29/789665329.db2.gz RQEFWMOGGXLFQV-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCNC(=O)CCC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001181591043 789664837 /nfs/dbraw/zinc/66/48/37/789664837.db2.gz WRHMWJQPZFACGP-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181597905 789665238 /nfs/dbraw/zinc/66/52/38/789665238.db2.gz ARFQXYFQHHVPBN-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)S(C)(=O)=O ZINC001181598019 789665577 /nfs/dbraw/zinc/66/55/77/789665577.db2.gz BTAXYMJDQDCHRS-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181598169 789664868 /nfs/dbraw/zinc/66/48/68/789664868.db2.gz DCKWPOWLLMRABZ-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO O=C(c1cocn1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001181598425 789664456 /nfs/dbraw/zinc/66/44/56/789664456.db2.gz HFMANXDAHFUZCW-GHMZBOCLSA-N 1 0 336.348 -1.011 20 0 EAADRO O=C(c1cocn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001181598426 789665755 /nfs/dbraw/zinc/66/57/55/789665755.db2.gz HFMANXDAHFUZCW-MNOVXSKESA-N 1 0 336.348 -1.011 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC[C@@H]1CCCO1 ZINC001181599017 789664953 /nfs/dbraw/zinc/66/49/53/789664953.db2.gz LJWHAIPEZATIBF-FRRDWIJNSA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC[C@H]1CCCO1 ZINC001181599027 789665634 /nfs/dbraw/zinc/66/56/34/789665634.db2.gz LJWHAIPEZATIBF-JHJVBQTASA-N 1 0 338.408 -1.249 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599295 789665014 /nfs/dbraw/zinc/66/50/14/789665014.db2.gz 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CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599832 789665224 /nfs/dbraw/zinc/66/52/24/789665224.db2.gz SKPVAHJGRHODJB-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599862 789664419 /nfs/dbraw/zinc/66/44/19/789664419.db2.gz SOYLZSXVGSFMLM-CHWSQXEVSA-N 1 0 326.397 -1.392 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)Nc1nncs1 ZINC001181599930 789665370 /nfs/dbraw/zinc/66/53/70/789665370.db2.gz UGHGOCIEDBYMJD-RKDXNWHRSA-N 1 0 338.393 -1.054 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC(=O)NC1CC1 ZINC001181599999 789665599 /nfs/dbraw/zinc/66/55/99/789665599.db2.gz UXLRZEIKHGFYKY-GHMZBOCLSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC1CCOCC1 ZINC001181600003 789664743 /nfs/dbraw/zinc/66/47/43/789664743.db2.gz UZKLDFJEFFAMQC-CHWSQXEVSA-N 1 0 338.408 -1.249 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181600351 789664946 /nfs/dbraw/zinc/66/49/46/789664946.db2.gz ZRURUNYGSIPYQP-FRRDWIJNSA-N 1 0 329.397 -1.521 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181600355 789664489 /nfs/dbraw/zinc/66/44/89/789664489.db2.gz ZRURUNYGSIPYQP-JHJVBQTASA-N 1 0 329.397 -1.521 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001181604213 789664378 /nfs/dbraw/zinc/66/43/78/789664378.db2.gz IWMPFTXXQCIDTN-QMTHXVAHSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@]1(C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001181604893 789664797 /nfs/dbraw/zinc/66/47/97/789664797.db2.gz XNCSNTHEPMKKDE-IAQYHMDHSA-N 1 0 348.411 -1.026 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181608280 789664893 /nfs/dbraw/zinc/66/48/93/789664893.db2.gz AOYPGHZNCOOVMI-GHMZBOCLSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC[C@H]1CCOC1 ZINC001181608285 789664574 /nfs/dbraw/zinc/66/45/74/789664574.db2.gz AVTBQMYBLBUILZ-JHJVBQTASA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC[C@@H]1CCOC1 ZINC001181608286 789665287 /nfs/dbraw/zinc/66/52/87/789665287.db2.gz AVTBQMYBLBUILZ-YNEHKIRRSA-N 1 0 338.408 -1.392 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181608784 789664989 /nfs/dbraw/zinc/66/49/89/789664989.db2.gz IJYJMYSRVMSNTD-IVZWLZJFSA-N 1 0 325.369 -1.700 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181608801 789665708 /nfs/dbraw/zinc/66/57/08/789665708.db2.gz IJYJMYSRVMSNTD-OPRDCNLKSA-N 1 0 325.369 -1.700 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181609908 789665620 /nfs/dbraw/zinc/66/56/20/789665620.db2.gz VZBLSDWMFNXLBE-JHJVBQTASA-N 1 0 340.424 -1.003 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181609909 789664814 /nfs/dbraw/zinc/66/48/14/789664814.db2.gz VZBLSDWMFNXLBE-YNEHKIRRSA-N 1 0 340.424 -1.003 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181609947 789664888 /nfs/dbraw/zinc/66/48/88/789664888.db2.gz WPSBEMJULAMAGX-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181610088 789665653 /nfs/dbraw/zinc/66/56/53/789665653.db2.gz XEANSRCXYKAHEL-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO COC[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181625039 789665257 /nfs/dbraw/zinc/66/52/57/789665257.db2.gz HVLFFWDMBUOAHB-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO COC[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181625044 789664677 /nfs/dbraw/zinc/66/46/77/789664677.db2.gz HVLFFWDMBUOAHB-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001181647216 789665191 /nfs/dbraw/zinc/66/51/91/789665191.db2.gz BXLBUDDYXZYELV-BXUZGUMPSA-N 1 0 348.469 -1.254 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1 ZINC001181648136 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COCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001181723319 789666423 /nfs/dbraw/zinc/66/64/23/789666423.db2.gz OHIGRWNBRDQYAL-ZIAGYGMSSA-N 1 0 343.424 -1.007 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181723395 789666552 /nfs/dbraw/zinc/66/65/52/789666552.db2.gz RDXXIVDHPCUHHV-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO COCCOCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001181723589 789666540 /nfs/dbraw/zinc/66/65/40/789666540.db2.gz SUQTYTPKUYKHBR-LLVKDONJSA-N 1 0 328.369 -1.608 20 0 EAADRO COCCOCC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181723721 789666517 /nfs/dbraw/zinc/66/65/17/789666517.db2.gz WWBDWGAXJORHAD-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO COCCOCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001181730682 789666197 /nfs/dbraw/zinc/66/61/97/789666197.db2.gz ILYOSEUEDJFRPO-GFCCVEGCSA-N 1 0 327.381 -1.011 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001181745195 789666341 /nfs/dbraw/zinc/66/63/41/789666341.db2.gz 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Cc1nnc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)s1 ZINC001181760133 789666799 /nfs/dbraw/zinc/66/67/99/789666799.db2.gz GWGLKAAPZYEKAC-MRVPVSSYSA-N 1 0 326.382 -1.149 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CCCC2)C1 ZINC001181760176 789666100 /nfs/dbraw/zinc/66/61/00/789666100.db2.gz IGCWKKLNELMVNX-LLVKDONJSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001181760471 789666951 /nfs/dbraw/zinc/66/69/51/789666951.db2.gz NNESXCASGJSXPN-BDAKNGLRSA-N 1 0 327.303 -1.008 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001181760473 789667143 /nfs/dbraw/zinc/66/71/43/789667143.db2.gz NNESXCASGJSXPN-RKDXNWHRSA-N 1 0 327.303 -1.008 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(N)=O)C1 ZINC001181760782 789667102 /nfs/dbraw/zinc/66/71/02/789667102.db2.gz QZCQWANPFKRQQA-SNVBAGLBSA-N 1 0 347.375 -1.210 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760855 789668124 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327.385 -1.325 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC(=O)NC1CC1 ZINC001181779501 789668509 /nfs/dbraw/zinc/66/85/09/789668509.db2.gz JYAYCTKLEBNWQL-PSASIEDQSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC(=O)NC1CC1 ZINC001181779502 789669223 /nfs/dbraw/zinc/66/92/23/789669223.db2.gz JYAYCTKLEBNWQL-WCBMZHEXSA-N 1 0 325.369 -1.571 20 0 EAADRO NC(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001181779583 789668241 /nfs/dbraw/zinc/66/82/41/789668241.db2.gz MJNLPFUXSYNNAV-LLVKDONJSA-N 1 0 339.396 -2.209 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779590 789669207 /nfs/dbraw/zinc/66/92/07/789669207.db2.gz MRVHWRAHEPXOIK-GHMZBOCLSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779591 789669490 /nfs/dbraw/zinc/66/94/90/789669490.db2.gz MRVHWRAHEPXOIK-WDEREUQCSA-N 1 0 341.412 -1.077 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779931 789668774 /nfs/dbraw/zinc/66/87/74/789668774.db2.gz OFHKDHNQBYVKMR-LLVKDONJSA-N 1 0 341.412 -1.963 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001181779938 789668530 /nfs/dbraw/zinc/66/85/30/789668530.db2.gz OMLJANUGTLCUIJ-SNVBAGLBSA-N 1 0 339.396 -1.227 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779941 789669123 /nfs/dbraw/zinc/66/91/23/789669123.db2.gz OQFUFTRNYNSPMX-NXEZZACHSA-N 1 0 343.384 -2.087 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779942 789669362 /nfs/dbraw/zinc/66/93/62/789669362.db2.gz OQFUFTRNYNSPMX-VHSXEESVSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779964 789668702 /nfs/dbraw/zinc/66/87/02/789668702.db2.gz PQOSZYPXPOQXRN-GFCCVEGCSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779979 789668048 /nfs/dbraw/zinc/66/80/48/789668048.db2.gz QEUZGDHELQAJIN-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779980 789669440 /nfs/dbraw/zinc/66/94/40/789669440.db2.gz QEUZGDHELQAJIN-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001181780509 789669515 /nfs/dbraw/zinc/66/95/15/789669515.db2.gz VJTMVACBCVAFOA-NXEZZACHSA-N 1 0 327.385 -2.355 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001181780510 789668468 /nfs/dbraw/zinc/66/84/68/789668468.db2.gz VJTMVACBCVAFOA-VHSXEESVSA-N 1 0 327.385 -2.355 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001181787295 789669477 /nfs/dbraw/zinc/66/94/77/789669477.db2.gz VOJGLOLGCPMCNX-RFAUZJTJSA-N 1 0 341.412 -1.233 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001181793528 789668138 /nfs/dbraw/zinc/66/81/38/789668138.db2.gz OJTGCXJZYXCDMK-CHWSQXEVSA-N 1 0 349.391 -1.347 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001181793529 789669375 /nfs/dbraw/zinc/66/93/75/789669375.db2.gz OJTGCXJZYXCDMK-OLZOCXBDSA-N 1 0 349.391 -1.347 20 0 EAADRO CCCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181793949 789669079 /nfs/dbraw/zinc/66/90/79/789669079.db2.gz YFPGZDOCZFFKDN-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO O=C(COCCO)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001181800710 789669449 /nfs/dbraw/zinc/66/94/49/789669449.db2.gz RQLYMXBRHPBNNG-UHFFFAOYSA-N 1 0 343.405 -1.059 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181801654 789668674 /nfs/dbraw/zinc/66/86/74/789668674.db2.gz MLEMNRRCLYEUBA-SNVBAGLBSA-N 1 0 337.384 -1.227 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181801712 789668362 /nfs/dbraw/zinc/66/83/62/789668362.db2.gz PAPDIICNNQBYSU-CHWSQXEVSA-N 1 0 341.412 -1.048 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181801713 789668871 /nfs/dbraw/zinc/66/88/71/789668871.db2.gz PAPDIICNNQBYSU-OLZOCXBDSA-N 1 0 341.412 -1.048 20 0 EAADRO Cc1c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)nnn1C ZINC001181801721 789668603 /nfs/dbraw/zinc/66/86/03/789668603.db2.gz PJEAWULIIVIEBR-LLVKDONJSA-N 1 0 349.395 -1.084 20 0 EAADRO Cc1c(C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)nnn1C ZINC001181801866 789669544 /nfs/dbraw/zinc/66/95/44/789669544.db2.gz VEHPTYOZTVKNHA-LLVKDONJSA-N 1 0 344.441 -1.181 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181811666 789670107 /nfs/dbraw/zinc/67/01/07/789670107.db2.gz DVRAVOALGOZLNL-LLVKDONJSA-N 1 0 344.441 -1.133 20 0 EAADRO Cc1c(C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)nnn1C ZINC001181812032 789670572 /nfs/dbraw/zinc/67/05/72/789670572.db2.gz MMMRJKZPZYYHJF-LLVKDONJSA-N 1 0 349.395 -1.130 20 0 EAADRO Cc1c(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nnn1C ZINC001181812185 789671085 /nfs/dbraw/zinc/67/10/85/789671085.db2.gz PFNMPLVNZUBPNU-SNVBAGLBSA-N 1 0 330.414 -1.523 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181812230 789671062 /nfs/dbraw/zinc/67/10/62/789671062.db2.gz QYYQRWPYTKMBLX-PSASIEDQSA-N 1 0 337.384 -1.228 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181812234 789669902 /nfs/dbraw/zinc/66/99/02/789669902.db2.gz QYYQRWPYTKMBLX-WCBMZHEXSA-N 1 0 337.384 -1.228 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181821540 789668880 /nfs/dbraw/zinc/66/88/80/789668880.db2.gz BFLPYTXDYAQKMC-CABCVRRESA-N 1 0 342.440 -1.340 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181821541 789669501 /nfs/dbraw/zinc/66/95/01/789669501.db2.gz BFLPYTXDYAQKMC-HUUCEWRRSA-N 1 0 342.440 -1.340 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001181821844 789667969 /nfs/dbraw/zinc/66/79/69/789667969.db2.gz JINKAPATZWKHTN-CHWSQXEVSA-N 1 0 348.407 -1.064 20 0 EAADRO CN1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001181821853 789669028 /nfs/dbraw/zinc/66/90/28/789669028.db2.gz JINKAPATZWKHTN-OLZOCXBDSA-N 1 0 348.407 -1.064 20 0 EAADRO CN1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001181821942 789668014 /nfs/dbraw/zinc/66/80/14/789668014.db2.gz KDQASELTJIISBI-NEPJUHHUSA-N 1 0 334.442 -1.943 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001181821943 789669461 /nfs/dbraw/zinc/66/94/61/789669461.db2.gz KDQASELTJIISBI-VXGBXAGGSA-N 1 0 334.442 -1.943 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1)S(C)(=O)=O ZINC001181822121 789669055 /nfs/dbraw/zinc/66/90/55/789669055.db2.gz NGPSEKFJWCBJNQ-CHWSQXEVSA-N 1 0 348.469 -1.601 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1)S(C)(=O)=O ZINC001181822122 789667862 /nfs/dbraw/zinc/66/78/62/789667862.db2.gz NGPSEKFJWCBJNQ-OLZOCXBDSA-N 1 0 348.469 -1.601 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181822558 789668485 /nfs/dbraw/zinc/66/84/85/789668485.db2.gz RONVSWHSKXYEBN-KGLIPLIRSA-N 1 0 342.440 -1.340 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181822559 789668273 /nfs/dbraw/zinc/66/82/73/789668273.db2.gz RONVSWHSKXYEBN-ZIAGYGMSSA-N 1 0 342.440 -1.340 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181822627 789668791 /nfs/dbraw/zinc/66/87/91/789668791.db2.gz SMWZRQUSLKRJMK-CHWSQXEVSA-N 1 0 348.469 -1.553 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181822635 789669325 /nfs/dbraw/zinc/66/93/25/789669325.db2.gz SMWZRQUSLKRJMK-OLZOCXBDSA-N 1 0 348.469 -1.553 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181822686 789668377 /nfs/dbraw/zinc/66/83/77/789668377.db2.gz TWUDBLRKYMAUPG-KGLIPLIRSA-N 1 0 342.440 -1.340 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181822687 789669405 /nfs/dbraw/zinc/66/94/05/789669405.db2.gz TWUDBLRKYMAUPG-ZIAGYGMSSA-N 1 0 342.440 -1.340 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001181822880 789669150 /nfs/dbraw/zinc/66/91/50/789669150.db2.gz WGZXXWDRXKTDMJ-CHWSQXEVSA-N 1 0 333.454 -1.058 20 0 EAADRO CN1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001181822882 789669103 /nfs/dbraw/zinc/66/91/03/789669103.db2.gz WGZXXWDRXKTDMJ-OLZOCXBDSA-N 1 0 333.454 -1.058 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181823088 789668748 /nfs/dbraw/zinc/66/87/48/789668748.db2.gz YJPWLNKCGASBMQ-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181823207 789668406 /nfs/dbraw/zinc/66/84/06/789668406.db2.gz YJPWLNKCGASBMQ-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181823234 789670215 /nfs/dbraw/zinc/67/02/15/789670215.db2.gz ZGJUJGWTVLRHKX-GHMZBOCLSA-N 1 0 327.385 -2.037 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181823235 789671469 /nfs/dbraw/zinc/67/14/69/789671469.db2.gz ZGJUJGWTVLRHKX-MNOVXSKESA-N 1 0 327.385 -2.037 20 0 EAADRO CCCCC[N@H+](C)CCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001181867087 789670667 /nfs/dbraw/zinc/67/06/67/789670667.db2.gz MPNLAGDOKKIWBB-DIAXPKBXSA-N 1 0 334.413 -1.585 20 0 EAADRO CCCCC[N@H+](C)CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001181867088 789670995 /nfs/dbraw/zinc/67/09/95/789670995.db2.gz MPNLAGDOKKIWBB-GZENYHORSA-N 1 0 334.413 -1.585 20 0 EAADRO [NH3+]CCN(CCNC(=O)Cn1nc(Cl)ccc1=O)N(O)N=O ZINC001181897181 789670683 /nfs/dbraw/zinc/67/06/83/789670683.db2.gz YQUZUQDKZCRMRY-UHFFFAOYSA-N 1 0 333.736 -1.439 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181913328 789671208 /nfs/dbraw/zinc/67/12/08/789671208.db2.gz FGGAYPORZFKTBL-BXUZGUMPSA-N 1 0 349.453 -1.393 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181916987 789670434 /nfs/dbraw/zinc/67/04/34/789670434.db2.gz KMRWLTKOEVORPQ-LLVKDONJSA-N 1 0 344.441 -1.133 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181917013 789671275 /nfs/dbraw/zinc/67/12/75/789671275.db2.gz KXTYSXWGUGSQNI-NXEZZACHSA-N 1 0 337.384 -1.228 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181917017 789670580 /nfs/dbraw/zinc/67/05/80/789670580.db2.gz KXTYSXWGUGSQNI-VHSXEESVSA-N 1 0 337.384 -1.228 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181917026 789670533 /nfs/dbraw/zinc/67/05/33/789670533.db2.gz LEWCJGPYPXYBKB-SNVBAGLBSA-N 1 0 330.414 -1.523 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181917760 789671395 /nfs/dbraw/zinc/67/13/95/789671395.db2.gz YGMMHBDGRGARHN-LLVKDONJSA-N 1 0 349.395 -1.130 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181917849 789670476 /nfs/dbraw/zinc/67/04/76/789670476.db2.gz ZZVMEMNBNGUJFV-SNVBAGLBSA-N 1 0 337.384 -1.227 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1)S(C)(=O)=O ZINC001181920016 789671500 /nfs/dbraw/zinc/67/15/00/789671500.db2.gz CDLAIXXCROHWII-LLVKDONJSA-N 1 0 344.441 -1.181 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1)NC(=O)NC1CC1 ZINC001181920027 789670139 /nfs/dbraw/zinc/67/01/39/789670139.db2.gz COXIZPGRDUNTSW-LLVKDONJSA-N 1 0 349.395 -1.084 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181921068 789670022 /nfs/dbraw/zinc/67/00/22/789670022.db2.gz MSEHJHUSIHENBT-CHWSQXEVSA-N 1 0 341.412 -1.048 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181921075 789671130 /nfs/dbraw/zinc/67/11/30/789671130.db2.gz MSEHJHUSIHENBT-OLZOCXBDSA-N 1 0 341.412 -1.048 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181930501 789671412 /nfs/dbraw/zinc/67/14/12/789671412.db2.gz AMNVUCGXSSAOQN-MEBBXXQBSA-N 1 0 341.412 -2.202 20 0 EAADRO 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335.368 -1.338 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001182193857 789677808 /nfs/dbraw/zinc/67/78/08/789677808.db2.gz DXZAUWDSYPUOOW-TUAOUCFPSA-N 1 0 341.412 -1.783 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182193888 789677994 /nfs/dbraw/zinc/67/79/94/789677994.db2.gz FJDIXKFLNSPTNH-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194149 789677539 /nfs/dbraw/zinc/67/75/39/789677539.db2.gz HOBMPCJXWRYULE-CMPLNLGQSA-N 1 0 329.401 -1.614 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194238 789678017 /nfs/dbraw/zinc/67/80/17/789678017.db2.gz JTIDWLUZAOEVME-VHSXEESVSA-N 1 0 335.430 -1.827 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194256 789677286 /nfs/dbraw/zinc/67/72/86/789677286.db2.gz KFWKSGGHGDWIIH-WDEREUQCSA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001182194661 789678083 /nfs/dbraw/zinc/67/80/83/789678083.db2.gz KNJQFCNRADMTSP-WDEREUQCSA-N 1 0 327.385 -1.908 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194668 789678337 /nfs/dbraw/zinc/67/83/37/789678337.db2.gz KSKVXPASMKVPEA-WDEREUQCSA-N 1 0 328.417 -1.059 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001182194708 789677620 /nfs/dbraw/zinc/67/76/20/789677620.db2.gz LVECTQKWKITEEC-VHSXEESVSA-N 1 0 335.430 -1.875 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001182194743 789677143 /nfs/dbraw/zinc/67/71/43/789677143.db2.gz MYCUXEZBKFYOLZ-VHSXEESVSA-N 1 0 340.384 -2.808 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001182194747 789678246 /nfs/dbraw/zinc/67/82/46/789678246.db2.gz NBGYPEBMIXNOGX-VHSXEESVSA-N 1 0 347.379 -1.230 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001182194764 789678297 /nfs/dbraw/zinc/67/82/97/789678297.db2.gz 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C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001182195173 789678159 /nfs/dbraw/zinc/67/81/59/789678159.db2.gz SHELNPRKJPJFKY-GARJFASQSA-N 1 0 332.426 -1.332 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001182195174 789677570 /nfs/dbraw/zinc/67/75/70/789677570.db2.gz SHELNPRKJPJFKY-HBNTYKKESA-N 1 0 332.426 -1.332 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001182195354 789677554 /nfs/dbraw/zinc/67/75/54/789677554.db2.gz VAITVPBZMZPCID-WDEREUQCSA-N 1 0 349.457 -1.485 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001182195389 789677929 /nfs/dbraw/zinc/67/79/29/789677929.db2.gz VKMAUOAANUZWRN-GRYCIOLGSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001182195392 789677725 /nfs/dbraw/zinc/67/77/25/789677725.db2.gz VKMAUOAANUZWRN-SDDRHHMPSA-N 1 0 341.412 -1.519 20 0 EAADRO 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HDWUZGUXWWVWHY-YMTOWFKASA-N 1 0 349.399 -1.480 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182266296 789679535 /nfs/dbraw/zinc/67/95/35/789679535.db2.gz AGBXNCJEDQYQCL-NXEZZACHSA-N 1 0 334.398 -1.775 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266297 789679845 /nfs/dbraw/zinc/67/98/45/789679845.db2.gz AGBXNCJEDQYQCL-ZJUUUORDSA-N 1 0 334.398 -1.775 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182266335 789679762 /nfs/dbraw/zinc/67/97/62/789679762.db2.gz BDSXPSVOSJHIKW-GHMZBOCLSA-N 1 0 348.425 -1.385 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266336 789680214 /nfs/dbraw/zinc/68/02/14/789680214.db2.gz BDSXPSVOSJHIKW-MNOVXSKESA-N 1 0 348.425 -1.385 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001182266409 789679861 /nfs/dbraw/zinc/67/98/61/789679861.db2.gz CVHHRGWQQUPPAI-NXEZZACHSA-N 1 0 339.352 -1.773 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001182266413 789679296 /nfs/dbraw/zinc/67/92/96/789679296.db2.gz CVHHRGWQQUPPAI-ZJUUUORDSA-N 1 0 339.352 -1.773 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)Nc1cnccn1 ZINC001182266646 789680295 /nfs/dbraw/zinc/68/02/95/789680295.db2.gz DMCBEVRNUMQLAW-NXEZZACHSA-N 1 0 334.336 -1.286 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)Nc1cnccn1 ZINC001182266647 789679773 /nfs/dbraw/zinc/67/97/73/789679773.db2.gz DMCBEVRNUMQLAW-ZJUUUORDSA-N 1 0 334.336 -1.286 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)Nc1nncs1 ZINC001182266700 789679354 /nfs/dbraw/zinc/67/93/54/789679354.db2.gz GUHPYOCYDFABSK-HTQZYQBOSA-N 1 0 340.365 -1.225 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)Nc1nncs1 ZINC001182266701 789680236 /nfs/dbraw/zinc/68/02/36/789680236.db2.gz GUHPYOCYDFABSK-SFYZADRCSA-N 1 0 340.365 -1.225 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266862 789679308 /nfs/dbraw/zinc/67/93/08/789679308.db2.gz IKIMDVSWRZJYJC-NEPJUHHUSA-N 1 0 328.369 -1.562 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182266863 789679270 /nfs/dbraw/zinc/67/92/70/789679270.db2.gz IKIMDVSWRZJYJC-VXGBXAGGSA-N 1 0 328.369 -1.562 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)NC(=O)NC1CC1 ZINC001182266877 789680272 /nfs/dbraw/zinc/68/02/72/789680272.db2.gz IXDKZIQDCYATSC-NXEZZACHSA-N 1 0 339.352 -1.727 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)NC(=O)NC1CC1 ZINC001182266886 789679204 /nfs/dbraw/zinc/67/92/04/789679204.db2.gz IXDKZIQDCYATSC-ZJUUUORDSA-N 1 0 339.352 -1.727 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001182266989 789679966 /nfs/dbraw/zinc/67/99/66/789679966.db2.gz KGPVTZNPSVWXKW-GRYCIOLGSA-N 1 0 340.380 -1.731 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001182266990 789679982 /nfs/dbraw/zinc/67/99/82/789679982.db2.gz KGPVTZNPSVWXKW-WOPDTQHZSA-N 1 0 340.380 -1.731 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182267133 789679514 /nfs/dbraw/zinc/67/95/14/789679514.db2.gz LHASCSBWDBIYDN-BDAKNGLRSA-N 1 0 327.341 -1.869 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182267143 789680063 /nfs/dbraw/zinc/68/00/63/789680063.db2.gz LHASCSBWDBIYDN-RKDXNWHRSA-N 1 0 327.341 -1.869 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182267169 789679327 /nfs/dbraw/zinc/67/93/27/789679327.db2.gz LQPQICRJBNOFMZ-GHMZBOCLSA-N 1 0 348.425 -1.433 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001182267208 789680393 /nfs/dbraw/zinc/68/03/93/789680393.db2.gz VDNRPRFRGSXZBX-NOZJJQNGSA-N 1 0 334.388 -1.378 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182267507 789679453 /nfs/dbraw/zinc/67/94/53/789679453.db2.gz LQPQICRJBNOFMZ-MNOVXSKESA-N 1 0 348.425 -1.433 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)S(C)(=O)=O ZINC001182268037 789679627 /nfs/dbraw/zinc/67/96/27/789679627.db2.gz OUALWJDBCYGKPI-NXEZZACHSA-N 1 0 334.398 -1.823 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)S(C)(=O)=O ZINC001182268038 789679574 /nfs/dbraw/zinc/67/95/74/789679574.db2.gz OUALWJDBCYGKPI-ZJUUUORDSA-N 1 0 334.398 -1.823 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182268148 789680224 /nfs/dbraw/zinc/68/02/24/789680224.db2.gz RSALRQKEXKHUPS-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182268149 789680106 /nfs/dbraw/zinc/68/01/06/789680106.db2.gz RSALRQKEXKHUPS-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO Cn1nncc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001182268466 789680309 /nfs/dbraw/zinc/68/03/09/789680309.db2.gz SIYGQEBHOISWBJ-GFCCVEGCSA-N 1 0 336.396 -1.086 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182268609 789679478 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327.385 -1.007 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182276333 789679828 /nfs/dbraw/zinc/67/98/28/789679828.db2.gz GVPRSNMCEGMGIX-AMIZOPFISA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]1(C)C[NH2+]CCS(C)(=O)=O ZINC001182276394 789680390 /nfs/dbraw/zinc/68/03/90/789680390.db2.gz JGOFXTHCSCCZCH-ZWNOBZJWSA-N 1 0 344.441 -1.058 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001182278103 789679023 /nfs/dbraw/zinc/67/90/23/789679023.db2.gz RYJGIZFMRWFFTB-JTNHKYCSSA-N 1 0 326.401 -1.095 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001182278104 789679289 /nfs/dbraw/zinc/67/92/89/789679289.db2.gz RYJGIZFMRWFFTB-UHIISALHSA-N 1 0 326.401 -1.095 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001182278629 789680369 /nfs/dbraw/zinc/68/03/69/789680369.db2.gz VSQUKXBZTNSRMU-BXUZGUMPSA-N 1 0 326.401 -1.093 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001182295213 789681283 /nfs/dbraw/zinc/68/12/83/789681283.db2.gz FFGXIOBLTKWKDD-LALPHHSUSA-N 1 0 341.408 -1.296 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001182295214 789681305 /nfs/dbraw/zinc/68/13/05/789681305.db2.gz FFGXIOBLTKWKDD-TYNCELHUSA-N 1 0 341.408 -1.296 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)nn1 ZINC001182302216 789681735 /nfs/dbraw/zinc/68/17/35/789681735.db2.gz BFTNAUFHEPGLQB-NEPJUHHUSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)nn1 ZINC001182302217 789681972 /nfs/dbraw/zinc/68/19/72/789681972.db2.gz BFTNAUFHEPGLQB-VXGBXAGGSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)n1 ZINC001182302248 789681818 /nfs/dbraw/zinc/68/18/18/789681818.db2.gz BSHLWAYLLGLUCZ-GFCCVEGCSA-N 1 0 336.396 -1.086 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302252 789681234 /nfs/dbraw/zinc/68/12/34/789681234.db2.gz BTZMBERMLBKQCV-LLVKDONJSA-N 1 0 344.441 -1.051 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)nn1 ZINC001182302329 789679548 /nfs/dbraw/zinc/67/95/48/789679548.db2.gz DFPUCZGQOBXDPX-SNVBAGLBSA-N 1 0 335.368 -1.393 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302336 789679191 /nfs/dbraw/zinc/67/91/91/789679191.db2.gz DJRKPUAYWSWXFN-SNVBAGLBSA-N 1 0 337.384 -1.145 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302499 789679667 /nfs/dbraw/zinc/67/96/67/789679667.db2.gz FBGWVTOHDIREIP-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302500 789679563 /nfs/dbraw/zinc/67/95/63/789679563.db2.gz FBGWVTOHDIREIP-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001182302505 789681481 /nfs/dbraw/zinc/68/14/81/789681481.db2.gz FHHNWEJKUGHHRY-OUCADQQQSA-N 1 0 342.440 -1.213 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001182302506 789682194 /nfs/dbraw/zinc/68/21/94/789682194.db2.gz FHHNWEJKUGHHRY-YRGRVCCFSA-N 1 0 342.440 -1.213 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1)S(C)(=O)=O ZINC001182302563 789682159 /nfs/dbraw/zinc/68/21/59/789682159.db2.gz HMEGILHFYCJCMC-SNVBAGLBSA-N 1 0 330.414 -1.489 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302854 789682462 /nfs/dbraw/zinc/68/24/62/789682462.db2.gz LSYPXZXWRGUFKF-NEPJUHHUSA-N 1 0 327.385 -1.357 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302855 789680778 /nfs/dbraw/zinc/68/07/78/789680778.db2.gz LSYPXZXWRGUFKF-VXGBXAGGSA-N 1 0 327.385 -1.357 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302962 789682050 /nfs/dbraw/zinc/68/20/50/789682050.db2.gz OACGFMBLOKKJMY-SNVBAGLBSA-N 1 0 337.384 -1.145 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)n1 ZINC001182302989 789682342 /nfs/dbraw/zinc/68/23/42/789682342.db2.gz OZFMORGNHDLAQP-SNVBAGLBSA-N 1 0 335.368 -1.393 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303028 789681778 /nfs/dbraw/zinc/68/17/78/789681778.db2.gz QKHVJEMWIZKTRX-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303029 789681698 /nfs/dbraw/zinc/68/16/98/789681698.db2.gz QKHVJEMWIZKTRX-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)nn1 ZINC001182303236 789681671 /nfs/dbraw/zinc/68/16/71/789681671.db2.gz UJPZYDQBWZRBJD-GFCCVEGCSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)n1 ZINC001182303277 789681657 /nfs/dbraw/zinc/68/16/57/789681657.db2.gz VNTWQLCTCRDTIV-NEPJUHHUSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)n1 ZINC001182303278 789682229 /nfs/dbraw/zinc/68/22/29/789682229.db2.gz VNTWQLCTCRDTIV-VXGBXAGGSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)nn1 ZINC001182303441 789682443 /nfs/dbraw/zinc/68/24/43/789682443.db2.gz XAUOIKQCPKFHEH-NEPJUHHUSA-N 1 0 336.396 -1.398 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303451 789682452 /nfs/dbraw/zinc/68/24/52/789682452.db2.gz XEOIIJWEOBIXSS-LLVKDONJSA-N 1 0 344.441 -1.051 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001182310808 789681542 /nfs/dbraw/zinc/68/15/42/789681542.db2.gz BUVGXTAJPWPZPR-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 ZINC001182311007 789682263 /nfs/dbraw/zinc/68/22/63/789682263.db2.gz HQRADVOFKGKNGL-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001182311084 789681248 /nfs/dbraw/zinc/68/12/48/789681248.db2.gz JDLGMWLWTOGOQB-CHWSQXEVSA-N 1 0 338.412 -1.246 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001182311085 789682085 /nfs/dbraw/zinc/68/20/85/789682085.db2.gz JDLGMWLWTOGOQB-OLZOCXBDSA-N 1 0 338.412 -1.246 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)n1 ZINC001182311347 789681902 /nfs/dbraw/zinc/68/19/02/789681902.db2.gz POEUVXQGXNDJGY-LLVKDONJSA-N 1 0 344.441 -1.007 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001182311748 789681072 /nfs/dbraw/zinc/68/10/72/789681072.db2.gz XLZRUWREUPLUMP-DTWKUNHWSA-N 1 0 328.373 -1.921 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001182311749 789682389 /nfs/dbraw/zinc/68/23/89/789682389.db2.gz XLZRUWREUPLUMP-RKDXNWHRSA-N 1 0 328.373 -1.921 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182329261 789682028 /nfs/dbraw/zinc/68/20/28/789682028.db2.gz FKKPHYILAUTTHP-LLVKDONJSA-N 1 0 344.441 -1.099 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C2)n1 ZINC001182329308 789682015 /nfs/dbraw/zinc/68/20/15/789682015.db2.gz FOUMWYBITGVYHJ-NXEZZACHSA-N 1 0 337.384 -1.054 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C2)n1 ZINC001182329310 789681885 /nfs/dbraw/zinc/68/18/85/789681885.db2.gz FOUMWYBITGVYHJ-VHSXEESVSA-N 1 0 337.384 -1.054 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)n1 ZINC001182329341 789681871 /nfs/dbraw/zinc/68/18/71/789681871.db2.gz GMMALUWOYFRZFV-NWDGAFQWSA-N 1 0 336.396 -1.228 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)n1 ZINC001182329342 789681760 /nfs/dbraw/zinc/68/17/60/789681760.db2.gz GMMALUWOYFRZFV-VXGBXAGGSA-N 1 0 336.396 -1.228 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)n1 ZINC001182329401 789681986 /nfs/dbraw/zinc/68/19/86/789681986.db2.gz HPNNLRDLCDSGQL-SNVBAGLBSA-N 1 0 335.368 -1.439 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001182329504 789681259 /nfs/dbraw/zinc/68/12/59/789681259.db2.gz JSUUNSQGBDZKDF-SNVBAGLBSA-N 1 0 330.414 -1.349 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182329603 789681835 /nfs/dbraw/zinc/68/18/35/789681835.db2.gz ODPCUDDFNLLQFJ-SNVBAGLBSA-N 1 0 330.414 -1.442 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1)C(=O)NC(=O)NC1CC1 ZINC001182329826 789682211 /nfs/dbraw/zinc/68/22/11/789682211.db2.gz RZEKMDIJPFQLGV-GXSJLCMTSA-N 1 0 349.395 -1.004 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1)C(=O)NC(=O)NC1CC1 ZINC001182329827 789681171 /nfs/dbraw/zinc/68/11/71/789681171.db2.gz RZEKMDIJPFQLGV-MWLCHTKSSA-N 1 0 349.395 -1.004 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001182330015 789682296 /nfs/dbraw/zinc/68/22/96/789682296.db2.gz XHLRVMSGOHRJRP-GFCCVEGCSA-N 1 0 343.428 -1.351 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001182335473 789683537 /nfs/dbraw/zinc/68/35/37/789683537.db2.gz CBRBUPSXHUMZHP-NXEZZACHSA-N 1 0 337.384 -1.054 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001182335477 789682843 /nfs/dbraw/zinc/68/28/43/789682843.db2.gz CBRBUPSXHUMZHP-VHSXEESVSA-N 1 0 337.384 -1.054 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnnn2CC)C1 ZINC001182336260 789683302 /nfs/dbraw/zinc/68/33/02/789683302.db2.gz LQWCSFKPIMBUMD-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001182337188 789683152 /nfs/dbraw/zinc/68/31/52/789683152.db2.gz VACXSXAUGYNOAP-SNVBAGLBSA-N 1 0 330.414 -1.349 20 0 EAADRO CCn1nncc1C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001182337198 789683864 /nfs/dbraw/zinc/68/38/64/789683864.db2.gz VNMVAZQRZSWVRZ-LLVKDONJSA-N 1 0 344.441 -1.007 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001182342519 789682319 /nfs/dbraw/zinc/68/23/19/789682319.db2.gz AJKQCOJXJLDQQA-CYBMUJFWSA-N 1 0 343.428 -1.351 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001182342646 789681529 /nfs/dbraw/zinc/68/15/29/789681529.db2.gz COPHPZANEWASDW-SNVBAGLBSA-N 1 0 335.430 -1.955 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001182342678 789681864 /nfs/dbraw/zinc/68/18/64/789681864.db2.gz DPIDSHAJOJUTFR-NWDGAFQWSA-N 1 0 346.453 -1.069 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001182342679 789682184 /nfs/dbraw/zinc/68/21/84/789682184.db2.gz DPIDSHAJOJUTFR-VXGBXAGGSA-N 1 0 346.453 -1.069 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001182342691 789681354 /nfs/dbraw/zinc/68/13/54/789681354.db2.gz FCAQOKBUDIACNR-GFCCVEGCSA-N 1 0 341.412 -1.645 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001182343165 789682137 /nfs/dbraw/zinc/68/21/37/789682137.db2.gz GLWRXXBNVURQCI-SNVBAGLBSA-N 1 0 342.400 -1.658 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001182343571 789681922 /nfs/dbraw/zinc/68/19/22/789681922.db2.gz MPSUIIZJNPAEJO-LLVKDONJSA-N 1 0 349.457 -1.613 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001182344274 789684060 /nfs/dbraw/zinc/68/40/60/789684060.db2.gz ONPRJAZMSSFNSA-GFCCVEGCSA-N 1 0 343.428 -1.351 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001182344349 789684145 /nfs/dbraw/zinc/68/41/45/789684145.db2.gz QYAUPXFGVQZOHH-SNVBAGLBSA-N 1 0 340.384 -1.952 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001182344760 789683580 /nfs/dbraw/zinc/68/35/80/789683580.db2.gz RTDKARVRIRDQKI-CHWSQXEVSA-N 1 0 346.428 -1.480 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001182344763 789683758 /nfs/dbraw/zinc/68/37/58/789683758.db2.gz RTDKARVRIRDQKI-OLZOCXBDSA-N 1 0 346.428 -1.480 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001182344787 789683467 /nfs/dbraw/zinc/68/34/67/789683467.db2.gz SFKJZEUNOKIZNX-SECBINFHSA-N 1 0 328.373 -2.048 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001182344804 789682988 /nfs/dbraw/zinc/68/29/88/789682988.db2.gz SUUYJKZEKIUSAE-NXEZZACHSA-N 1 0 342.400 -1.660 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001182344805 789683020 /nfs/dbraw/zinc/68/30/20/789683020.db2.gz SUUYJKZEKIUSAE-VHSXEESVSA-N 1 0 342.400 -1.660 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001182344815 789684152 /nfs/dbraw/zinc/68/41/52/789684152.db2.gz UFHCGCNNWKYCOM-LLVKDONJSA-N 1 0 349.395 -1.075 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001182345086 789683191 /nfs/dbraw/zinc/68/31/91/789683191.db2.gz WYSYOURJEPAIDX-LLVKDONJSA-N 1 0 349.457 -1.565 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001182345134 789683835 /nfs/dbraw/zinc/68/38/35/789683835.db2.gz YLCWOAXFKOXXGP-LLVKDONJSA-N 1 0 334.442 -1.069 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001182345142 789684043 /nfs/dbraw/zinc/68/40/43/789684043.db2.gz YPDGWDGDFPCZQL-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001182345145 789683986 /nfs/dbraw/zinc/68/39/86/789683986.db2.gz YPDGWDGDFPCZQL-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001182345148 789684163 /nfs/dbraw/zinc/68/41/63/789684163.db2.gz YTNRQYRCRWRLBI-LLVKDONJSA-N 1 0 326.401 -1.479 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1)C(=O)N(C)C ZINC001182371617 789684076 /nfs/dbraw/zinc/68/40/76/789684076.db2.gz DANWVFSQCBBPJT-GHMZBOCLSA-N 1 0 336.396 -1.193 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1)C(=O)N(C)C ZINC001182371618 789682931 /nfs/dbraw/zinc/68/29/31/789682931.db2.gz DANWVFSQCBBPJT-WDEREUQCSA-N 1 0 336.396 -1.193 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182371799 789683174 /nfs/dbraw/zinc/68/31/74/789683174.db2.gz HMOXDBNWKRRJPG-HTQZYQBOSA-N 1 0 342.377 -1.270 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001182371800 789683101 /nfs/dbraw/zinc/68/31/01/789683101.db2.gz HMOXDBNWKRRJPG-JGVFFNPUSA-N 1 0 342.377 -1.270 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001182371801 789683623 /nfs/dbraw/zinc/68/36/23/789683623.db2.gz HMOXDBNWKRRJPG-SFYZADRCSA-N 1 0 342.377 -1.270 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182371802 789683487 /nfs/dbraw/zinc/68/34/87/789683487.db2.gz HMOXDBNWKRRJPG-YUMQZZPRSA-N 1 0 342.377 -1.270 20 0 EAADRO O=C(c1ncc[nH]1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001182372648 789684010 /nfs/dbraw/zinc/68/40/10/789684010.db2.gz OAMKTZMDLXLGNV-GHMZBOCLSA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(c1ncc[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001182372653 789683416 /nfs/dbraw/zinc/68/34/16/789683416.db2.gz OAMKTZMDLXLGNV-MNOVXSKESA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1)NCC(=O)N1CCCC1 ZINC001182372701 789683665 /nfs/dbraw/zinc/68/36/65/789683665.db2.gz PCKQLTKLJSCAIN-GFCCVEGCSA-N 1 0 348.407 -1.048 20 0 EAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[C@H]1C(N)=O)CC2 ZINC001182377437 789683616 /nfs/dbraw/zinc/68/36/16/789683616.db2.gz YEXSVWICZYQMDT-NXEZZACHSA-N 1 0 349.391 -1.028 20 0 EAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[C@@H]1C(N)=O)CC2 ZINC001182377440 789684115 /nfs/dbraw/zinc/68/41/15/789684115.db2.gz YEXSVWICZYQMDT-UWVGGRQHSA-N 1 0 349.391 -1.028 20 0 EAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)CC2 ZINC001182377441 789682956 /nfs/dbraw/zinc/68/29/56/789682956.db2.gz YEXSVWICZYQMDT-VHSXEESVSA-N 1 0 349.391 -1.028 20 0 EAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001182377442 789682886 /nfs/dbraw/zinc/68/28/86/789682886.db2.gz YEXSVWICZYQMDT-ZJUUUORDSA-N 1 0 349.391 -1.028 20 0 EAADRO CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001182421451 789685567 /nfs/dbraw/zinc/68/55/67/789685567.db2.gz IEGLAXMEWJXIQX-JRPNMDOOSA-N 1 0 325.413 -1.122 20 0 EAADRO CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001182421452 789685844 /nfs/dbraw/zinc/68/58/44/789685844.db2.gz IEGLAXMEWJXIQX-UEKVPHQBSA-N 1 0 325.413 -1.122 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001182421454 789684904 /nfs/dbraw/zinc/68/49/04/789684904.db2.gz IEXCNVDIRRCAFG-BFQNTYOBSA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001182421455 789685818 /nfs/dbraw/zinc/68/58/18/789685818.db2.gz IEXCNVDIRRCAFG-XHBSWPGZSA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CCS(C)(=O)=O ZINC001182421484 789685730 /nfs/dbraw/zinc/68/57/30/789685730.db2.gz JMUDKSUBMDQWIK-JTNHKYCSSA-N 1 0 346.453 -1.213 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CCS(C)(=O)=O ZINC001182421485 789685865 /nfs/dbraw/zinc/68/58/65/789685865.db2.gz JMUDKSUBMDQWIK-UHIISALHSA-N 1 0 346.453 -1.213 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001182422303 789685756 /nfs/dbraw/zinc/68/57/56/789685756.db2.gz QSALQDPFRZJLMX-MCYUEQNJSA-N 1 0 328.413 -1.251 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001182422304 789685825 /nfs/dbraw/zinc/68/58/25/789685825.db2.gz QSALQDPFRZJLMX-NWJSVONSSA-N 1 0 328.413 -1.251 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001182422305 789685252 /nfs/dbraw/zinc/68/52/52/789685252.db2.gz QSALQDPFRZJLMX-OXJKWZBOSA-N 1 0 328.413 -1.251 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001182422306 789685482 /nfs/dbraw/zinc/68/54/82/789685482.db2.gz QSALQDPFRZJLMX-RTWAVKEYSA-N 1 0 328.413 -1.251 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182422350 789685926 /nfs/dbraw/zinc/68/59/26/789685926.db2.gz RPAZOINSYLJIJI-RFXMVYNHSA-N 1 0 340.384 -2.063 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182422351 789684532 /nfs/dbraw/zinc/68/45/32/789684532.db2.gz RPAZOINSYLJIJI-TVLCNXBWSA-N 1 0 340.384 -2.063 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001182422408 789685505 /nfs/dbraw/zinc/68/55/05/789685505.db2.gz SSZALRFAEDWAMC-GPCCPHFNSA-N 1 0 336.400 -1.534 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001182422409 789685418 /nfs/dbraw/zinc/68/54/18/789685418.db2.gz SSZALRFAEDWAMC-ISTVAULSSA-N 1 0 336.400 -1.534 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001182422643 789684515 /nfs/dbraw/zinc/68/45/15/789684515.db2.gz UODOGBLHTHMVKI-BXUZGUMPSA-N 1 0 348.469 -1.125 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)N(C)C ZINC001182422733 789685764 /nfs/dbraw/zinc/68/57/64/789685764.db2.gz YUAVGIDMDSLOQE-JRPNMDOOSA-N 1 0 325.413 -1.170 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)N(C)C ZINC001182422734 789685167 /nfs/dbraw/zinc/68/51/67/789685167.db2.gz YUAVGIDMDSLOQE-UEKVPHQBSA-N 1 0 325.413 -1.170 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182422765 789685436 /nfs/dbraw/zinc/68/54/36/789685436.db2.gz ZTLHTXSHYLOJEX-ZWNOBZJWSA-N 1 0 334.442 -1.385 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182431526 789685634 /nfs/dbraw/zinc/68/56/34/789685634.db2.gz AXBASTUVTKAIBX-CYBMUJFWSA-N 1 0 338.412 -1.001 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182431754 789684801 /nfs/dbraw/zinc/68/48/01/789684801.db2.gz GRIMERCFYDBHQW-LLVKDONJSA-N 1 0 344.441 -1.215 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182432045 789685770 /nfs/dbraw/zinc/68/57/70/789685770.db2.gz PRULWLBADLBFDO-CHWSQXEVSA-N 1 0 341.412 -1.130 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182432046 789685557 /nfs/dbraw/zinc/68/55/57/789685557.db2.gz PRULWLBADLBFDO-OLZOCXBDSA-N 1 0 341.412 -1.130 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)[nH]1 ZINC001182432131 789684707 /nfs/dbraw/zinc/68/47/07/789684707.db2.gz SFTIREZRXGUKAX-LLVKDONJSA-N 1 0 349.395 -1.212 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)[nH]1 ZINC001182432308 789684774 /nfs/dbraw/zinc/68/47/74/789684774.db2.gz VUUJCHKTUGVBPU-SNVBAGLBSA-N 1 0 330.414 -1.605 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182432343 789685710 /nfs/dbraw/zinc/68/57/10/789685710.db2.gz WRXRMGNIABSHLM-PSASIEDQSA-N 1 0 337.384 -1.310 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182432344 789685777 /nfs/dbraw/zinc/68/57/77/789685777.db2.gz WRXRMGNIABSHLM-WCBMZHEXSA-N 1 0 337.384 -1.310 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001182437919 789685224 /nfs/dbraw/zinc/68/52/24/789685224.db2.gz XDMLWCSZULXSFO-LALPHHSUSA-N 1 0 328.413 -1.249 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001182437920 789684759 /nfs/dbraw/zinc/68/47/59/789684759.db2.gz XDMLWCSZULXSFO-TYNCELHUSA-N 1 0 328.413 -1.249 20 0 EAADRO Cn1ccc(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001182440899 789684736 /nfs/dbraw/zinc/68/47/36/789684736.db2.gz GVNPUSKBOGGDSV-GFCCVEGCSA-N 1 0 329.426 -1.298 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182441603 789684558 /nfs/dbraw/zinc/68/45/58/789684558.db2.gz MFAAVGXEKGVSFE-SNVBAGLBSA-N 1 0 337.384 -1.308 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001182442913 789685324 /nfs/dbraw/zinc/68/53/24/789685324.db2.gz UKBZQGMCGVPRTK-GFCCVEGCSA-N 1 0 336.396 -1.001 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182442978 789685679 /nfs/dbraw/zinc/68/56/79/789685679.db2.gz UXEXYYFMBTUDAQ-GFCCVEGCSA-N 1 0 338.412 -1.001 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182446283 789685362 /nfs/dbraw/zinc/68/53/62/789685362.db2.gz ATVPKSKLEQHCIU-IAQYHMDHSA-N 1 0 328.413 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001182446309 789685408 /nfs/dbraw/zinc/68/54/08/789685408.db2.gz BXDHSTTVGSLRIH-BFQNTYOBSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001182446310 789685936 /nfs/dbraw/zinc/68/59/36/789685936.db2.gz BXDHSTTVGSLRIH-XHBSWPGZSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CCN1C(=O)CNC1=O ZINC001182446329 789685075 /nfs/dbraw/zinc/68/50/75/789685075.db2.gz CRYUTUPRTSNCJS-YMTOWFKASA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CCCN1C(=O)CNC1=O ZINC001182446347 789685036 /nfs/dbraw/zinc/68/50/36/789685036.db2.gz DSKLMHVHUQGUBN-MEBBXXQBSA-N 1 0 339.396 -1.512 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182446730 789685493 /nfs/dbraw/zinc/68/54/93/789685493.db2.gz NJRXTGGDSNDSBN-ZWNOBZJWSA-N 1 0 334.442 -1.515 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182446898 789685299 /nfs/dbraw/zinc/68/52/99/789685299.db2.gz PGIRJELRBQWVEZ-RFXMVYNHSA-N 1 0 327.385 -1.610 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182446899 789685287 /nfs/dbraw/zinc/68/52/87/789685287.db2.gz PGIRJELRBQWVEZ-TVLCNXBWSA-N 1 0 327.385 -1.610 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001182446959 789684584 /nfs/dbraw/zinc/68/45/84/789684584.db2.gz RPZGQNMUWNUJOD-BFQNTYOBSA-N 1 0 340.424 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001182447160 789684679 /nfs/dbraw/zinc/68/46/79/789684679.db2.gz RPZGQNMUWNUJOD-XHBSWPGZSA-N 1 0 340.424 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CCCS(=O)(=O)N(C)C ZINC001182447408 789685602 /nfs/dbraw/zinc/68/56/02/789685602.db2.gz XDUVQVMBIJLJMW-BXUZGUMPSA-N 1 0 348.469 -1.173 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182447514 789685795 /nfs/dbraw/zinc/68/57/95/789685795.db2.gz ZPCASQPZACLJCL-LALPHHSUSA-N 1 0 331.413 -1.430 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182447517 789685259 /nfs/dbraw/zinc/68/52/59/789685259.db2.gz ZPCASQPZACLJCL-TYNCELHUSA-N 1 0 331.413 -1.430 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182449616 789685585 /nfs/dbraw/zinc/68/55/85/789685585.db2.gz HHYMEBHCOZOPJM-GFCCVEGCSA-N 1 0 338.412 -1.001 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)[nH]1 ZINC001182449988 789685181 /nfs/dbraw/zinc/68/51/81/789685181.db2.gz MUVVYLIDHYLDGI-LLVKDONJSA-N 1 0 344.441 -1.262 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)[nH]1 ZINC001182450570 789685906 /nfs/dbraw/zinc/68/59/06/789685906.db2.gz YLXJCHLFBIENKV-LLVKDONJSA-N 1 0 349.395 -1.166 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182456117 789685206 /nfs/dbraw/zinc/68/52/06/789685206.db2.gz CEHPYKHQVYEPFE-YMTOWFKASA-N 1 0 339.396 -1.479 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182456678 789684826 /nfs/dbraw/zinc/68/48/26/789684826.db2.gz OQHNQQUKOPNTOH-HFBDOXOYSA-N 1 0 341.412 -1.220 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182456692 789684654 /nfs/dbraw/zinc/68/46/54/789684654.db2.gz OQHNQQUKOPNTOH-IQMDTDKHSA-N 1 0 341.412 -1.220 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC1CCOCC1 ZINC001182456787 789685105 /nfs/dbraw/zinc/68/51/05/789685105.db2.gz QRIFOLQMAAFTED-BDJLRTHQSA-N 1 0 340.424 -1.159 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182456863 789685148 /nfs/dbraw/zinc/68/51/48/789685148.db2.gz SGLHBIMGZNAHAI-IAQYHMDHSA-N 1 0 328.413 -1.301 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001182458354 789687501 /nfs/dbraw/zinc/68/75/01/789687501.db2.gz GHEBFYIOJZKGRB-CHWSQXEVSA-N 1 0 328.413 -1.010 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001182458360 789686728 /nfs/dbraw/zinc/68/67/28/789686728.db2.gz GHEBFYIOJZKGRB-OLZOCXBDSA-N 1 0 328.413 -1.010 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001182459015 789687430 /nfs/dbraw/zinc/68/74/30/789687430.db2.gz QLVCRLXCNAFVAC-SNVBAGLBSA-N 1 0 340.384 -1.823 20 0 EAADRO [NH3+]CCN(CCNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)N(O)N=O ZINC001182464492 789687190 /nfs/dbraw/zinc/68/71/90/789687190.db2.gz ZDSWVSWZGNKUDS-LLVKDONJSA-N 1 0 328.373 -1.091 20 0 EAADRO [NH3+]CCN(CCNC(=O)[C@H]1CC(=O)N(CC2CC2)C1)N(O)N=O ZINC001182464496 789687178 /nfs/dbraw/zinc/68/71/78/789687178.db2.gz ZDSWVSWZGNKUDS-NSHDSACASA-N 1 0 328.373 -1.091 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001182464841 789687267 /nfs/dbraw/zinc/68/72/67/789687267.db2.gz AQHRHBJOQQXIDJ-ZWNOBZJWSA-N 1 0 334.442 -1.563 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182464842 789686452 /nfs/dbraw/zinc/68/64/52/789686452.db2.gz AQVPPZLGXPYLHH-BXUZGUMPSA-N 1 0 348.469 -1.125 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001182464876 789686520 /nfs/dbraw/zinc/68/65/20/789686520.db2.gz CHEMXACEDLADBT-JTNHKYCSSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001182464877 789687730 /nfs/dbraw/zinc/68/77/30/789687730.db2.gz CHEMXACEDLADBT-UHIISALHSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)N1CCOCC1 ZINC001182465066 789687168 /nfs/dbraw/zinc/68/71/68/789687168.db2.gz JRHQILIBVSWINX-IAQYHMDHSA-N 1 0 326.397 -1.595 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182465071 789686863 /nfs/dbraw/zinc/68/68/63/789686863.db2.gz JVGUNPLAHNNGLW-MEBBXXQBSA-N 1 0 341.412 -1.218 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001182465158 789686825 /nfs/dbraw/zinc/68/68/25/789686825.db2.gz LHILDMQRJQYGIE-MEBBXXQBSA-N 1 0 336.396 -1.132 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CCN1CCCS1(=O)=O ZINC001182465178 789686739 /nfs/dbraw/zinc/68/67/39/789686739.db2.gz MOBSVMWCQAGMIC-BXUZGUMPSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001182465185 789687745 /nfs/dbraw/zinc/68/77/45/789687745.db2.gz MZHSPHVOZLJPRJ-BFQNTYOBSA-N 1 0 340.424 -1.471 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182465215 789686855 /nfs/dbraw/zinc/68/68/55/789686855.db2.gz OZXWYWMITBSOFJ-YMTOWFKASA-N 1 0 327.385 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001182465234 789686541 /nfs/dbraw/zinc/68/65/41/789686541.db2.gz PRXSCMRTQLCXMP-MEBBXXQBSA-N 1 0 339.396 -2.496 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001182465244 789687770 /nfs/dbraw/zinc/68/77/70/789687770.db2.gz PYNPSBLIHKBQEN-BFQNTYOBSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001182465245 789686718 /nfs/dbraw/zinc/68/67/18/789686718.db2.gz PYNPSBLIHKBQEN-XHBSWPGZSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001182465263 789686619 /nfs/dbraw/zinc/68/66/19/789686619.db2.gz QWIRBUAAFAACEC-RFAUZJTJSA-N 1 0 339.396 -1.466 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182465290 789686812 /nfs/dbraw/zinc/68/68/12/789686812.db2.gz SMYWSNGECKLKTC-IAQYHMDHSA-N 1 0 328.413 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)Nc1cnccn1 ZINC001182465547 789687235 /nfs/dbraw/zinc/68/72/35/789687235.db2.gz ZXJDVXMDNSXUQF-MEBBXXQBSA-N 1 0 334.380 -1.025 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001182466038 789686631 /nfs/dbraw/zinc/68/66/31/789686631.db2.gz HYKJGZMTLSBJRA-SECBINFHSA-N 1 0 339.356 -2.077 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)nn1 ZINC001182466600 789686601 /nfs/dbraw/zinc/68/66/01/789686601.db2.gz PVDNTXRPXHXIHC-GFCCVEGCSA-N 1 0 327.385 -1.263 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001182467141 789686798 /nfs/dbraw/zinc/68/67/98/789686798.db2.gz VTDDRYDHFUKOBO-CMPLNLGQSA-N 1 0 336.396 -1.003 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001182467143 789687508 /nfs/dbraw/zinc/68/75/08/789687508.db2.gz VTDDRYDHFUKOBO-ZYHUDNBSSA-N 1 0 336.396 -1.003 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)nn1 ZINC001182467242 789686781 /nfs/dbraw/zinc/68/67/81/789686781.db2.gz YVEQEDBDMCIIOE-LLVKDONJSA-N 1 0 345.425 -1.227 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)nn1 ZINC001182467244 789686580 /nfs/dbraw/zinc/68/65/80/789686580.db2.gz YXOSGMIMSDSINZ-NEPJUHHUSA-N 1 0 327.385 -1.264 20 0 EAADRO COCCn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)nn1 ZINC001182467245 789687714 /nfs/dbraw/zinc/68/77/14/789687714.db2.gz YXOSGMIMSDSINZ-VXGBXAGGSA-N 1 0 327.385 -1.264 20 0 EAADRO O=C(CNC(=O)N1CCCC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182489582 789689347 /nfs/dbraw/zinc/68/93/47/789689347.db2.gz KZVCBPAKANLGLL-CYBMUJFWSA-N 1 0 328.413 -1.009 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001182496032 789687274 /nfs/dbraw/zinc/68/72/74/789687274.db2.gz CPGNDIBUILXVRM-LLVKDONJSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001182496059 789686997 /nfs/dbraw/zinc/68/69/97/789686997.db2.gz DWFAYJHABJLMTO-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001182496060 789687719 /nfs/dbraw/zinc/68/77/19/789687719.db2.gz DWFAYJHABJLMTO-MNOVXSKESA-N 1 0 332.426 -1.605 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182496257 789686377 /nfs/dbraw/zinc/68/63/77/789686377.db2.gz GFYRWZFQSUJKSH-GFCCVEGCSA-N 1 0 336.458 -1.048 20 0 EAADRO COCCC[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182496273 789686616 /nfs/dbraw/zinc/68/66/16/789686616.db2.gz GQPLFDXWZICLSH-GFCCVEGCSA-N 1 0 336.458 -1.048 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496291 789686885 /nfs/dbraw/zinc/68/68/85/789686885.db2.gz HGWFBDYHAXMRBM-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001182496316 789686535 /nfs/dbraw/zinc/68/65/35/789686535.db2.gz HMIGKPKKDYCVSM-CHWSQXEVSA-N 1 0 348.469 -1.048 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001182496317 789687447 /nfs/dbraw/zinc/68/74/47/789687447.db2.gz HMIGKPKKDYCVSM-QWHCGFSZSA-N 1 0 348.469 -1.048 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001182496365 789687084 /nfs/dbraw/zinc/68/70/84/789687084.db2.gz IYCIZBXNKJSSGA-SNVBAGLBSA-N 1 0 341.455 -1.839 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496369 789687403 /nfs/dbraw/zinc/68/74/03/789687403.db2.gz JBLAHJJIOVHPTO-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1)C(N)=O ZINC001182496376 789686610 /nfs/dbraw/zinc/68/66/10/789686610.db2.gz JGUCYSFHVLMOES-GHMZBOCLSA-N 1 0 349.457 -1.821 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1)C(N)=O ZINC001182496378 789687014 /nfs/dbraw/zinc/68/70/14/789687014.db2.gz JGUCYSFHVLMOES-MNOVXSKESA-N 1 0 349.457 -1.821 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496450 789686590 /nfs/dbraw/zinc/68/65/90/789686590.db2.gz KYSXXVVEAGRMBI-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496520 789687417 /nfs/dbraw/zinc/68/74/17/789687417.db2.gz NESODOAYWIYFMZ-LLVKDONJSA-N 1 0 344.441 -1.072 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001182496527 789687361 /nfs/dbraw/zinc/68/73/61/789687361.db2.gz NHGLMNRVINYRGF-LLVKDONJSA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182496710 789686645 /nfs/dbraw/zinc/68/66/45/789686645.db2.gz OWKXXXVHTZZZQB-GHMZBOCLSA-N 1 0 349.457 -1.950 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182496711 789687250 /nfs/dbraw/zinc/68/72/50/789687250.db2.gz OWKXXXVHTZZZQB-WDEREUQCSA-N 1 0 349.457 -1.950 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001182496731 789687388 /nfs/dbraw/zinc/68/73/88/789687388.db2.gz PFWHWGSLOFGROR-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001182496760 789686463 /nfs/dbraw/zinc/68/64/63/789686463.db2.gz QBXJJJRFBMEQKT-SNVBAGLBSA-N 1 0 330.414 -1.555 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182496801 789686878 /nfs/dbraw/zinc/68/68/78/789686878.db2.gz RKTWIRBNHYJACU-MRVPVSSYSA-N 1 0 335.386 -2.689 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1 ZINC001182496838 789687105 /nfs/dbraw/zinc/68/71/05/789687105.db2.gz SOLIEHSRGXTQNX-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001182496983 789686434 /nfs/dbraw/zinc/68/64/34/789686434.db2.gz WTOVMGPABLLTTJ-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1)C(N)=O ZINC001182496988 789686982 /nfs/dbraw/zinc/68/69/82/789686982.db2.gz WYDHGWRAPNBMQL-NXEZZACHSA-N 1 0 335.430 -2.211 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1)C(N)=O ZINC001182496992 789686423 /nfs/dbraw/zinc/68/64/23/789686423.db2.gz WYDHGWRAPNBMQL-VHSXEESVSA-N 1 0 335.430 -2.211 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182497061 789686625 /nfs/dbraw/zinc/68/66/25/789686625.db2.gz YQBLKCOAYGTBNG-NWDGAFQWSA-N 1 0 336.458 -1.050 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182497065 789687659 /nfs/dbraw/zinc/68/76/59/789687659.db2.gz YQBLKCOAYGTBNG-VXGBXAGGSA-N 1 0 336.458 -1.050 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001182497122 789687736 /nfs/dbraw/zinc/68/77/36/789687736.db2.gz YTSKJSMQQDTBTI-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001182497129 789687615 /nfs/dbraw/zinc/68/76/15/789687615.db2.gz YVRQDWDNDGKHKN-LLVKDONJSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001182497157 789686567 /nfs/dbraw/zinc/68/65/67/789686567.db2.gz ZLPWKDRKYPSNRA-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182497178 789687625 /nfs/dbraw/zinc/68/76/25/789687625.db2.gz ZVEFSSFUXJYTNF-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001182514262 789688989 /nfs/dbraw/zinc/68/89/89/789688989.db2.gz NIODUVKGTSAXIV-CHWSQXEVSA-N 1 0 349.453 -1.078 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001182514263 789688458 /nfs/dbraw/zinc/68/84/58/789688458.db2.gz NIODUVKGTSAXIV-OLZOCXBDSA-N 1 0 349.453 -1.078 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001182514299 789688606 /nfs/dbraw/zinc/68/86/06/789688606.db2.gz OIVUDDSUSLWCED-NEPJUHHUSA-N 1 0 335.426 -1.468 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001182514303 789689640 /nfs/dbraw/zinc/68/96/40/789689640.db2.gz OIVUDDSUSLWCED-VXGBXAGGSA-N 1 0 335.426 -1.468 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001182514871 789689296 /nfs/dbraw/zinc/68/92/96/789689296.db2.gz WGYVBRWDECZPBB-GHMZBOCLSA-N 1 0 328.369 -1.562 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001182514873 789688712 /nfs/dbraw/zinc/68/87/12/789688712.db2.gz WGYVBRWDECZPBB-MNOVXSKESA-N 1 0 328.369 -1.562 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1)S(C)(=O)=O ZINC001182515032 789689175 /nfs/dbraw/zinc/68/91/75/789689175.db2.gz ZFLLTYSKRJCNMB-CHWSQXEVSA-N 1 0 349.453 -1.126 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1)S(C)(=O)=O ZINC001182515035 789688915 /nfs/dbraw/zinc/68/89/15/789688915.db2.gz ZFLLTYSKRJCNMB-OLZOCXBDSA-N 1 0 349.453 -1.126 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001182515071 789688381 /nfs/dbraw/zinc/68/83/81/789688381.db2.gz ZZMOUXHYSFICIM-NEPJUHHUSA-N 1 0 342.396 -1.172 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001182515075 789688888 /nfs/dbraw/zinc/68/88/88/789688888.db2.gz ZZMOUXHYSFICIM-VXGBXAGGSA-N 1 0 342.396 -1.172 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001182529386 789689470 /nfs/dbraw/zinc/68/94/70/789689470.db2.gz CSQIEECQGMUHMD-LLVKDONJSA-N 1 0 330.414 -1.592 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001182529439 789688587 /nfs/dbraw/zinc/68/85/87/789688587.db2.gz CYRMFCVGYDUSLS-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001182529440 789689264 /nfs/dbraw/zinc/68/92/64/789689264.db2.gz CYRMFCVGYDUSLS-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182529689 789688818 /nfs/dbraw/zinc/68/88/18/789688818.db2.gz GOIPDMYXMPMNJI-LLVKDONJSA-N 1 0 349.457 -1.997 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001182529867 789689371 /nfs/dbraw/zinc/68/93/71/789689371.db2.gz IHCCVAGFCDFXTB-NXEZZACHSA-N 1 0 346.409 -2.079 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001182529879 789688981 /nfs/dbraw/zinc/68/89/81/789688981.db2.gz IHCCVAGFCDFXTB-ZJUUUORDSA-N 1 0 346.409 -2.079 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001182529881 789689615 /nfs/dbraw/zinc/68/96/15/789689615.db2.gz IKESSJXNMHAWCA-GHMZBOCLSA-N 1 0 347.441 -2.196 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001182529888 789688146 /nfs/dbraw/zinc/68/81/46/789688146.db2.gz IKESSJXNMHAWCA-MNOVXSKESA-N 1 0 347.441 -2.196 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001182530145 789688335 /nfs/dbraw/zinc/68/83/35/789688335.db2.gz JQSMIBKUSLJJDT-LLVKDONJSA-N 1 0 347.441 -1.859 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182530203 789688484 /nfs/dbraw/zinc/68/84/84/789688484.db2.gz KIBMFPNGIHAOII-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182530212 789688767 /nfs/dbraw/zinc/68/87/67/789688767.db2.gz KIBMFPNGIHAOII-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001182530599 789689069 /nfs/dbraw/zinc/68/90/69/789689069.db2.gz NBUPDAJTNUBOAL-GHMZBOCLSA-N 1 0 334.442 -1.407 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001182530600 789688736 /nfs/dbraw/zinc/68/87/36/789688736.db2.gz NBUPDAJTNUBOAL-WDEREUQCSA-N 1 0 334.442 -1.407 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001182530615 789688753 /nfs/dbraw/zinc/68/87/53/789688753.db2.gz NMWQZURFHVQLJF-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001182530616 789688264 /nfs/dbraw/zinc/68/82/64/789688264.db2.gz NMWQZURFHVQLJF-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182530628 789689012 /nfs/dbraw/zinc/68/90/12/789689012.db2.gz OOTPUCZWYOVHRT-NWDGAFQWSA-N 1 0 336.458 -1.050 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182530629 789689390 /nfs/dbraw/zinc/68/93/90/789689390.db2.gz OOTPUCZWYOVHRT-VXGBXAGGSA-N 1 0 336.458 -1.050 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182530630 789688348 /nfs/dbraw/zinc/68/83/48/789688348.db2.gz OPQLUCDHJWVGRC-SNVBAGLBSA-N 1 0 335.430 -2.339 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001182530669 789688407 /nfs/dbraw/zinc/68/84/07/789688407.db2.gz QBXNVQCFRXGHFS-DTWKUNHWSA-N 1 0 349.413 -2.300 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001182530670 789689624 /nfs/dbraw/zinc/68/96/24/789689624.db2.gz QBXNVQCFRXGHFS-RKDXNWHRSA-N 1 0 349.413 -2.300 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001182530999 789689028 /nfs/dbraw/zinc/68/90/28/789689028.db2.gz QWOFJJHOAKADIK-CMPLNLGQSA-N 1 0 346.453 -1.217 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001182531000 789688660 /nfs/dbraw/zinc/68/86/60/789688660.db2.gz QWOFJJHOAKADIK-ZYHUDNBSSA-N 1 0 346.453 -1.217 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182531034 789688242 /nfs/dbraw/zinc/68/82/42/789688242.db2.gz RURSKSBJGZYZSB-LLVKDONJSA-N 1 0 349.457 -1.949 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001182531099 789688902 /nfs/dbraw/zinc/68/89/02/789688902.db2.gz UFOBFDCMALSEMG-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001182531108 789689506 /nfs/dbraw/zinc/68/95/06/789689506.db2.gz UVOLCHDQJJNQOO-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCS(=O)(=O)NC)C2)C1=O ZINC001182531397 789689142 /nfs/dbraw/zinc/68/91/42/789689142.db2.gz XFBAJDRWJIUGTP-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCS(=O)(=O)NC)C2)C1=O ZINC001182531398 789688957 /nfs/dbraw/zinc/68/89/57/789688957.db2.gz XFBAJDRWJIUGTP-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001182531448 789689454 /nfs/dbraw/zinc/68/94/54/789689454.db2.gz ZAPVXJDTBIEROT-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001182539153 789688300 /nfs/dbraw/zinc/68/83/00/789688300.db2.gz MHMWSHNNDNFCIG-JRPNMDOOSA-N 1 0 344.412 -1.083 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001182539159 789689400 /nfs/dbraw/zinc/68/94/00/789689400.db2.gz MHMWSHNNDNFCIG-UEKVPHQBSA-N 1 0 344.412 -1.083 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cccc(C)c2=O)C1 ZINC001182545179 789689206 /nfs/dbraw/zinc/68/92/06/789689206.db2.gz JZPSLQOSFTZSCB-GFCCVEGCSA-N 1 0 349.391 -1.197 20 0 EAADRO Cc1cccn(CC(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)c1=O ZINC001182545402 789688641 /nfs/dbraw/zinc/68/86/41/789688641.db2.gz PEUOMCDEUWVKRY-NWDGAFQWSA-N 1 0 349.391 -1.069 20 0 EAADRO Cc1cccn(CC(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)c1=O ZINC001182545405 789689432 /nfs/dbraw/zinc/68/94/32/789689432.db2.gz PEUOMCDEUWVKRY-VXGBXAGGSA-N 1 0 349.391 -1.069 20 0 EAADRO Cc1cccn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1=O ZINC001182546495 789689077 /nfs/dbraw/zinc/68/90/77/789689077.db2.gz YKUSLGJIKUHMHN-LLVKDONJSA-N 1 0 335.364 -1.458 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182552754 789689492 /nfs/dbraw/zinc/68/94/92/789689492.db2.gz COKWNISAHPRDEN-DTWKUNHWSA-N 1 0 328.373 -1.921 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182552755 789689239 /nfs/dbraw/zinc/68/92/39/789689239.db2.gz COKWNISAHPRDEN-RKDXNWHRSA-N 1 0 328.373 -1.921 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182552924 789689040 /nfs/dbraw/zinc/68/90/40/789689040.db2.gz GLBCUAUHHKYVMY-NXEZZACHSA-N 1 0 342.400 -1.531 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182552925 789688220 /nfs/dbraw/zinc/68/82/20/789688220.db2.gz GLBCUAUHHKYVMY-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182554553 789689546 /nfs/dbraw/zinc/68/95/46/789689546.db2.gz XTHDGQYHAJHGGS-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182554554 789688193 /nfs/dbraw/zinc/68/81/93/789688193.db2.gz XTHDGQYHAJHGGS-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)NC(N)=O ZINC001182554836 789689599 /nfs/dbraw/zinc/68/95/99/789689599.db2.gz ZWCQXDQMLGJTGE-NWDGAFQWSA-N 1 0 341.412 -1.517 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)NC(N)=O ZINC001182554840 789689052 /nfs/dbraw/zinc/68/90/52/789689052.db2.gz ZWCQXDQMLGJTGE-VXGBXAGGSA-N 1 0 341.412 -1.517 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001182560496 789689566 /nfs/dbraw/zinc/68/95/66/789689566.db2.gz CPWPRPNDHONMAM-GHMZBOCLSA-N 1 0 334.380 -1.301 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001182560497 789689130 /nfs/dbraw/zinc/68/91/30/789689130.db2.gz CPWPRPNDHONMAM-WDEREUQCSA-N 1 0 334.380 -1.301 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)NC(N)=O ZINC001182561193 789690965 /nfs/dbraw/zinc/69/09/65/789690965.db2.gz KMRAATXWIYVGNB-NXEZZACHSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)NC(N)=O ZINC001182561194 789691050 /nfs/dbraw/zinc/69/10/50/789691050.db2.gz KMRAATXWIYVGNB-VHSXEESVSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)NC(N)=O ZINC001182561556 789690371 /nfs/dbraw/zinc/69/03/71/789690371.db2.gz MQJSANZEJWPWEA-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)NC(N)=O ZINC001182561557 789690977 /nfs/dbraw/zinc/69/09/77/789690977.db2.gz MQJSANZEJWPWEA-WDEREUQCSA-N 1 0 339.396 -1.227 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182561559 789690070 /nfs/dbraw/zinc/69/00/70/789690070.db2.gz MRPFEKRNFKEODG-GHMZBOCLSA-N 1 0 349.457 -1.437 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182561560 789690713 /nfs/dbraw/zinc/69/07/13/789690713.db2.gz MRPFEKRNFKEODG-WDEREUQCSA-N 1 0 349.457 -1.437 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182562456 789689963 /nfs/dbraw/zinc/68/99/63/789689963.db2.gz SLHFVGKKHSIYOJ-DGCLKSJQSA-N 1 0 343.428 -1.224 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182562457 789691075 /nfs/dbraw/zinc/69/10/75/789691075.db2.gz SLHFVGKKHSIYOJ-WCQYABFASA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)NC(N)=O ZINC001182562475 789690617 /nfs/dbraw/zinc/69/06/17/789690617.db2.gz TYTUHMKALTWLOE-GHMZBOCLSA-N 1 0 349.457 -1.485 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)NC(N)=O ZINC001182562476 789690244 /nfs/dbraw/zinc/69/02/44/789690244.db2.gz TYTUHMKALTWLOE-WDEREUQCSA-N 1 0 349.457 -1.485 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)NC(N)=O ZINC001182562509 789691179 /nfs/dbraw/zinc/69/11/79/789691179.db2.gz UVVKHZLDCSDNLW-GHMZBOCLSA-N 1 0 326.401 -1.351 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)NC(N)=O ZINC001182562516 789690326 /nfs/dbraw/zinc/69/03/26/789690326.db2.gz UVVKHZLDCSDNLW-WDEREUQCSA-N 1 0 326.401 -1.351 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)NC(N)=O ZINC001182562980 789691104 /nfs/dbraw/zinc/69/11/04/789691104.db2.gz ZELYRTZZRCKYSO-NXEZZACHSA-N 1 0 335.430 -1.827 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)NC(N)=O ZINC001182562981 789690739 /nfs/dbraw/zinc/69/07/39/789690739.db2.gz ZELYRTZZRCKYSO-VHSXEESVSA-N 1 0 335.430 -1.827 20 0 EAADRO CN(C)c1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cn1 ZINC001182570646 789690010 /nfs/dbraw/zinc/69/00/10/789690010.db2.gz VEHGPGIWLNGTPW-SECBINFHSA-N 1 0 335.368 -1.458 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cnc(N(C)C)cn2)C1)C(=O)NC(N)=O ZINC001182570858 789690544 /nfs/dbraw/zinc/69/05/44/789690544.db2.gz ZIYNDOOFDKIZOT-NXEZZACHSA-N 1 0 349.395 -1.070 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cnc(N(C)C)cn2)C1)C(=O)NC(N)=O ZINC001182570863 789690378 /nfs/dbraw/zinc/69/03/78/789690378.db2.gz ZIYNDOOFDKIZOT-VHSXEESVSA-N 1 0 349.395 -1.070 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@]1(C)C[NH2+]CCO ZINC001182579195 789690255 /nfs/dbraw/zinc/69/02/55/789690255.db2.gz CXYIKIXYEYASFV-NOZJJQNGSA-N 1 0 345.425 -1.263 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc(N(C)C)cn2)C1 ZINC001182579410 789690801 /nfs/dbraw/zinc/69/08/01/789690801.db2.gz FDHFHXSEZMFVLB-SNVBAGLBSA-N 1 0 349.395 -1.198 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001182598261 789691147 /nfs/dbraw/zinc/69/11/47/789691147.db2.gz AIHUQXZGCJMRKE-AZKPJATDSA-N 1 0 340.424 -1.161 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)Nc1cnccn1 ZINC001182599171 789689936 /nfs/dbraw/zinc/68/99/36/789689936.db2.gz RRIVQGWVAVXSSS-SNVBAGLBSA-N 1 0 331.340 -1.708 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182599303 789690550 /nfs/dbraw/zinc/69/05/50/789690550.db2.gz UPWLVKGUNQQWGX-JNIYBQFBSA-N 1 0 326.397 -1.421 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182599368 789690034 /nfs/dbraw/zinc/69/00/34/789690034.db2.gz UJWIDRQRMBNMLR-SNVBAGLBSA-N 1 0 338.372 -1.901 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NCc1ccco1 ZINC001182599723 789691116 /nfs/dbraw/zinc/69/11/16/789691116.db2.gz YCMGFLRYEBRRLT-LLVKDONJSA-N 1 0 333.352 -1.227 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182606394 789690215 /nfs/dbraw/zinc/69/02/15/789690215.db2.gz BFVRZUFUQIAPMO-NEPJUHHUSA-N 1 0 328.373 -2.113 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182606399 789690909 /nfs/dbraw/zinc/69/09/09/789690909.db2.gz BFVRZUFUQIAPMO-VXGBXAGGSA-N 1 0 328.373 -2.113 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182606401 789690265 /nfs/dbraw/zinc/69/02/65/789690265.db2.gz BHZNVTGOICTIRH-GFCCVEGCSA-N 1 0 325.373 -1.984 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)Nc1ncccn1 ZINC001182606402 789690187 /nfs/dbraw/zinc/69/01/87/789690187.db2.gz BIYOZRDJYWNXIL-GHMZBOCLSA-N 1 0 345.367 -1.319 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)Nc1ncccn1 ZINC001182606411 789691189 /nfs/dbraw/zinc/69/11/89/789691189.db2.gz BIYOZRDJYWNXIL-WDEREUQCSA-N 1 0 345.367 -1.319 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182606458 789690872 /nfs/dbraw/zinc/69/08/72/789690872.db2.gz CINPASOECXAWGV-SECBINFHSA-N 1 0 349.317 -1.116 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NC(=O)NC1CC1 ZINC001182606478 789691059 /nfs/dbraw/zinc/69/10/59/789691059.db2.gz CZWRLAGDPIVBLG-SNVBAGLBSA-N 1 0 336.356 -2.148 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)CS(C)(=O)=O ZINC001182606482 789691219 /nfs/dbraw/zinc/69/12/19/789691219.db2.gz DHFVPYRJUWJVIQ-GHMZBOCLSA-N 1 0 330.414 -1.456 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)CS(C)(=O)=O ZINC001182606483 789690201 /nfs/dbraw/zinc/69/02/01/789690201.db2.gz DHFVPYRJUWJVIQ-WDEREUQCSA-N 1 0 330.414 -1.456 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001182606606 789691030 /nfs/dbraw/zinc/69/10/30/789691030.db2.gz FGDWUCNKRTUWEB-NEPJUHHUSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001182606607 789690901 /nfs/dbraw/zinc/69/09/01/789690901.db2.gz FGDWUCNKRTUWEB-VXGBXAGGSA-N 1 0 341.408 -1.031 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182606611 789690599 /nfs/dbraw/zinc/69/05/99/789690599.db2.gz FICYIVNUVXEEFQ-LLVKDONJSA-N 1 0 338.416 -1.039 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)S(C)(=O)=O ZINC001182606682 789690628 /nfs/dbraw/zinc/69/06/28/789690628.db2.gz HXWHNVPQRBGUGS-SNVBAGLBSA-N 1 0 331.402 -2.245 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)NCC(F)(F)F ZINC001182607072 789690817 /nfs/dbraw/zinc/69/08/17/789690817.db2.gz LXLBIKNVYPJNGD-DTWKUNHWSA-N 1 0 349.317 -1.069 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)NCC(F)(F)F ZINC001182607073 789691021 /nfs/dbraw/zinc/69/10/21/789691021.db2.gz LXLBIKNVYPJNGD-RKDXNWHRSA-N 1 0 349.317 -1.069 20 0 EAADRO CC1(C)CC(=O)N(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1=O ZINC001182607092 789690298 /nfs/dbraw/zinc/69/02/98/789690298.db2.gz MLHICQDIAJSDNB-GFCCVEGCSA-N 1 0 341.408 -1.029 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607328 789690053 /nfs/dbraw/zinc/69/00/53/789690053.db2.gz NCCLYYWFKDYENJ-LLVKDONJSA-N 1 0 347.383 -1.158 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NC[C@@H]1CCCO1 ZINC001182607345 789690684 /nfs/dbraw/zinc/69/06/84/789690684.db2.gz NDZWUCWNGITMRH-NEPJUHHUSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NC[C@H]1CCCO1 ZINC001182607351 789690459 /nfs/dbraw/zinc/69/04/59/789690459.db2.gz NDZWUCWNGITMRH-VXGBXAGGSA-N 1 0 337.384 -1.841 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)no1 ZINC001182607441 789690919 /nfs/dbraw/zinc/69/09/19/789690919.db2.gz PCLJQJHHAJHJFT-SNVBAGLBSA-N 1 0 334.340 -1.201 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001182607452 789690144 /nfs/dbraw/zinc/69/01/44/789690144.db2.gz PJHGABDWQNMAFL-SECBINFHSA-N 1 0 349.317 -1.068 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607455 789690645 /nfs/dbraw/zinc/69/06/45/789690645.db2.gz PNIVJNVMIUAOCW-CHWSQXEVSA-N 1 0 326.401 -1.103 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607456 789691185 /nfs/dbraw/zinc/69/11/85/789691185.db2.gz PNIVJNVMIUAOCW-OLZOCXBDSA-N 1 0 326.401 -1.103 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607474 789690944 /nfs/dbraw/zinc/69/09/44/789690944.db2.gz QOHWGTDUHSZKJC-LLVKDONJSA-N 1 0 345.429 -1.807 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607476 789690357 /nfs/dbraw/zinc/69/03/57/789690357.db2.gz QVALUFOFPHQXFF-SNVBAGLBSA-N 1 0 331.402 -2.197 20 0 EAADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607761 789690730 /nfs/dbraw/zinc/69/07/30/789690730.db2.gz SACSLHHKHNWJTE-LLVKDONJSA-N 1 0 330.414 -1.312 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607783 789690175 /nfs/dbraw/zinc/69/01/75/789690175.db2.gz SEZDYPXJZJWNDA-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001182607812 789690490 /nfs/dbraw/zinc/69/04/90/789690490.db2.gz SKVCZGHPRSLGCX-SNVBAGLBSA-N 1 0 336.356 -2.195 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)CC1 ZINC001182607873 789690349 /nfs/dbraw/zinc/69/03/49/789690349.db2.gz UJBQKPNJIDPFMJ-LLVKDONJSA-N 1 0 342.425 -1.312 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NC[C@@H]1CCOC1 ZINC001182607913 789690700 /nfs/dbraw/zinc/69/07/00/789690700.db2.gz VEXUNFAHTDWMLK-NWDGAFQWSA-N 1 0 337.384 -1.984 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NC[C@H]1CCOC1 ZINC001182607914 789689982 /nfs/dbraw/zinc/68/99/82/789689982.db2.gz VEXUNFAHTDWMLK-VXGBXAGGSA-N 1 0 337.384 -1.984 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607921 789690210 /nfs/dbraw/zinc/69/02/10/789690210.db2.gz VJICYMMTKORDRY-LLVKDONJSA-N 1 0 345.429 -1.855 20 0 EAADRO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001182608026 789691777 /nfs/dbraw/zinc/69/17/77/789691777.db2.gz XROIIUCAABIHOC-NEPJUHHUSA-N 1 0 337.384 -2.153 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)Nc1nncs1 ZINC001182608061 789692630 /nfs/dbraw/zinc/69/26/30/789692630.db2.gz YWRHHDYPHDFASB-MRVPVSSYSA-N 1 0 337.369 -1.646 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182608073 789691660 /nfs/dbraw/zinc/69/16/60/789691660.db2.gz ZKAXMXLESZUBHK-NWDGAFQWSA-N 1 0 339.400 -1.595 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182608074 789692216 /nfs/dbraw/zinc/69/22/16/789692216.db2.gz ZKAXMXLESZUBHK-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)n(C)n1 ZINC001182608081 789691805 /nfs/dbraw/zinc/69/18/05/789691805.db2.gz ZUWCIFWYZKOGCN-LLVKDONJSA-N 1 0 347.383 -1.456 20 0 EAADRO COc1cc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)ncn1 ZINC001182615547 789691731 /nfs/dbraw/zinc/69/17/31/789691731.db2.gz IFLTUDPDQFXAMD-SNVBAGLBSA-N 1 0 343.409 -1.162 20 0 EAADRO COc1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)ncn1 ZINC001182615631 789692922 /nfs/dbraw/zinc/69/29/22/789692922.db2.gz LEFZMXWIRYBVRZ-DTWKUNHWSA-N 1 0 336.352 -1.127 20 0 EAADRO COc1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)ncn1 ZINC001182615635 789692966 /nfs/dbraw/zinc/69/29/66/789692966.db2.gz LEFZMXWIRYBVRZ-RKDXNWHRSA-N 1 0 336.352 -1.127 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)ncn2)C1 ZINC001182615650 789691698 /nfs/dbraw/zinc/69/16/98/789691698.db2.gz LMCAPXYCZQFNGD-SECBINFHSA-N 1 0 336.352 -1.255 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NCc1cccnc1 ZINC001182623048 789690766 /nfs/dbraw/zinc/69/07/66/789690766.db2.gz DAHMFMBJTIMUHS-CYBMUJFWSA-N 1 0 344.379 -1.425 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001182623129 789691089 /nfs/dbraw/zinc/69/10/89/789691089.db2.gz CGXZPZHSMAEHRS-YYHMBLRTSA-N 1 0 335.412 -1.094 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)on1 ZINC001182623204 789690333 /nfs/dbraw/zinc/69/03/33/789690333.db2.gz GVIIPMZZXVMRFB-SNVBAGLBSA-N 1 0 334.340 -1.201 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NCC(F)(F)F ZINC001182623236 789691036 /nfs/dbraw/zinc/69/10/36/789691036.db2.gz HXCDNIJIRHISIV-MRVPVSSYSA-N 1 0 335.290 -1.458 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623398 789691132 /nfs/dbraw/zinc/69/11/32/789691132.db2.gz LAFSPOONRGMDGV-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182623522 789690476 /nfs/dbraw/zinc/69/04/76/789690476.db2.gz OGIGCTHVDCHCKV-KFRQHLNQSA-N 1 0 339.396 -1.623 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623931 789690444 /nfs/dbraw/zinc/69/04/44/789690444.db2.gz VPVIUHWWHCICQM-NXEZZACHSA-N 1 0 338.372 -1.902 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623932 789691001 /nfs/dbraw/zinc/69/10/01/789691001.db2.gz VPVIUHWWHCICQM-VHSXEESVSA-N 1 0 338.372 -1.902 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)NC1CCOCC1 ZINC001182623948 789690392 /nfs/dbraw/zinc/69/03/92/789690392.db2.gz WEUJHJXSXIWLTR-GFCCVEGCSA-N 1 0 337.384 -1.841 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)Nc1nccs1 ZINC001182624080 789690220 /nfs/dbraw/zinc/69/02/20/789690220.db2.gz YOGKIJIEPKNJIG-SECBINFHSA-N 1 0 336.381 -1.041 20 0 EAADRO CC(C)(C)OC(=O)NC[C@H](O)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001182625645 789690865 /nfs/dbraw/zinc/69/08/65/789690865.db2.gz AVMCXVWKFDOUBZ-QMMMGPOBSA-N 1 0 325.387 -1.381 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001182660669 789692401 /nfs/dbraw/zinc/69/24/01/789692401.db2.gz DTZUZSALASXBSI-GMTAPVOTSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001182661551 789691949 /nfs/dbraw/zinc/69/19/49/789691949.db2.gz NMRKCEXQEMNUAG-IJLUTSLNSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001182661673 789692552 /nfs/dbraw/zinc/69/25/52/789692552.db2.gz QTOWGQOHIHRILX-OPRDCNLKSA-N 1 0 325.369 -1.714 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)n1 ZINC001182692060 789692495 /nfs/dbraw/zinc/69/24/95/789692495.db2.gz AOOWXKDZZDGHLD-LLVKDONJSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1)C(=O)N(C)C ZINC001182692067 789692095 /nfs/dbraw/zinc/69/20/95/789692095.db2.gz AVAXNXZOBDPFAJ-NXEZZACHSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1)C(=O)N(C)C ZINC001182692068 789692372 /nfs/dbraw/zinc/69/23/72/789692372.db2.gz AVAXNXZOBDPFAJ-VHSXEESVSA-N 1 0 337.384 -1.956 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692265 789691920 /nfs/dbraw/zinc/69/19/20/789691920.db2.gz GBLNRYGXTSYJIZ-NXEZZACHSA-N 1 0 326.357 -2.425 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692266 789693163 /nfs/dbraw/zinc/69/31/63/789693163.db2.gz GBLNRYGXTSYJIZ-ZJUUUORDSA-N 1 0 326.357 -2.425 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1)C1CC1 ZINC001182692295 789691590 /nfs/dbraw/zinc/69/15/90/789691590.db2.gz HIVHGOFISXBSQA-SNVBAGLBSA-N 1 0 349.395 -1.812 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CCOCC(F)F)C2)n1 ZINC001182692457 789691791 /nfs/dbraw/zinc/69/17/91/789691791.db2.gz KLILMHJNAKRSML-SECBINFHSA-N 1 0 346.338 -1.151 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692498 789692465 /nfs/dbraw/zinc/69/24/65/789692465.db2.gz LSYRJOSMXVXEPF-SNVBAGLBSA-N 1 0 337.384 -1.954 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692546 789693131 /nfs/dbraw/zinc/69/31/31/789693131.db2.gz MSXLSQATMPVPRO-LLVKDONJSA-N 1 0 340.384 -1.770 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692581 789691547 /nfs/dbraw/zinc/69/15/47/789691547.db2.gz NUZOMOUUNHUASH-SECBINFHSA-N 1 0 344.397 -2.388 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692996 789692840 /nfs/dbraw/zinc/69/28/40/789692840.db2.gz QFYXJRDSAIBCGZ-SNVBAGLBSA-N 1 0 337.384 -1.906 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)n1 ZINC001182693003 789692270 /nfs/dbraw/zinc/69/22/70/789692270.db2.gz QPPFBXLUZKYPTQ-SNVBAGLBSA-N 1 0 335.368 -2.154 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)n1 ZINC001182693130 789692624 /nfs/dbraw/zinc/69/26/24/789692624.db2.gz SPEWBVCUDLMQIO-LLVKDONJSA-N 1 0 349.395 -1.906 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1)C(=O)NC1CC1 ZINC001182693165 789692878 /nfs/dbraw/zinc/69/28/78/789692878.db2.gz UGRYUIXPTBMMFT-GXSJLCMTSA-N 1 0 349.395 -1.765 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1)C(=O)NC1CC1 ZINC001182693198 789691513 /nfs/dbraw/zinc/69/15/13/789691513.db2.gz UGRYUIXPTBMMFT-MWLCHTKSSA-N 1 0 349.395 -1.765 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)n1 ZINC001182693520 789693120 /nfs/dbraw/zinc/69/31/20/789693120.db2.gz VQLCFLUTUDSDRZ-SNVBAGLBSA-N 1 0 326.357 -2.424 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]CCOCC3CC3)C2)n1 ZINC001182693555 789691492 /nfs/dbraw/zinc/69/14/92/789691492.db2.gz WLAWRXUJADGAFY-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182693606 789692424 /nfs/dbraw/zinc/69/24/24/789692424.db2.gz YNDCAFBBMVDLMI-SSDOTTSWSA-N 1 0 338.328 -3.238 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182693614 789692719 /nfs/dbraw/zinc/69/27/19/789692719.db2.gz ZMQFYSLBLVJOQB-SNVBAGLBSA-N 1 0 337.384 -1.908 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncc3nc[nH]c32)C1 ZINC001182709671 789692505 /nfs/dbraw/zinc/69/25/05/789692505.db2.gz YORCZUIEEFAIDO-MRVPVSSYSA-N 1 0 331.336 -1.043 20 0 EAADRO CC(C)(C)n1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001182719051 789692898 /nfs/dbraw/zinc/69/28/98/789692898.db2.gz MOGWUALBJYDEMQ-MRVPVSSYSA-N 1 0 338.372 -1.573 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001182731264 789694932 /nfs/dbraw/zinc/69/49/32/789694932.db2.gz CEIWGFUKULJVDU-GBIKHYSHSA-N 1 0 334.442 -1.516 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001182731265 789694449 /nfs/dbraw/zinc/69/44/49/789694449.db2.gz CEIWGFUKULJVDU-GIPNMCIBSA-N 1 0 334.442 -1.516 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001182733202 789694232 /nfs/dbraw/zinc/69/42/32/789694232.db2.gz ZIPGBHCOBBJJQI-JTNHKYCSSA-N 1 0 348.469 -1.256 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001182733203 789694657 /nfs/dbraw/zinc/69/46/57/789694657.db2.gz ZIPGBHCOBBJJQI-UHIISALHSA-N 1 0 348.469 -1.256 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001182754304 789692157 /nfs/dbraw/zinc/69/21/57/789692157.db2.gz CTWQKGUQOQYSII-GHMZBOCLSA-N 1 0 344.441 -1.167 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001182754306 789692234 /nfs/dbraw/zinc/69/22/34/789692234.db2.gz CTWQKGUQOQYSII-WDEREUQCSA-N 1 0 344.441 -1.167 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001182754324 789691889 /nfs/dbraw/zinc/69/18/89/789691889.db2.gz CYUGOYLEBXRIEK-IJLUTSLNSA-N 1 0 337.442 -1.488 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001182754327 789692758 /nfs/dbraw/zinc/69/27/58/789692758.db2.gz CYUGOYLEBXRIEK-QJPTWQEYSA-N 1 0 337.442 -1.488 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001182754329 789691534 /nfs/dbraw/zinc/69/15/34/789691534.db2.gz CYUGOYLEBXRIEK-TUAOUCFPSA-N 1 0 337.442 -1.488 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001182754330 789692364 /nfs/dbraw/zinc/69/23/64/789692364.db2.gz CYUGOYLEBXRIEK-UTUOFQBUSA-N 1 0 337.442 -1.488 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182754353 789692180 /nfs/dbraw/zinc/69/21/80/789692180.db2.gz DQFWQWQTJDRUGF-NWDGAFQWSA-N 1 0 337.442 -1.486 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182754360 789691683 /nfs/dbraw/zinc/69/16/83/789691683.db2.gz DQFWQWQTJDRUGF-VXGBXAGGSA-N 1 0 337.442 -1.486 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001182754553 789691898 /nfs/dbraw/zinc/69/18/98/789691898.db2.gz HOAYAFDBLVSBNH-CMPLNLGQSA-N 1 0 346.453 -1.217 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001182754554 789693038 /nfs/dbraw/zinc/69/30/38/789693038.db2.gz HOAYAFDBLVSBNH-ZYHUDNBSSA-N 1 0 346.453 -1.217 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001182754870 789692135 /nfs/dbraw/zinc/69/21/35/789692135.db2.gz KFXJHNVMRZBEPL-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001182754871 789692388 /nfs/dbraw/zinc/69/23/88/789692388.db2.gz 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COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182818309 789696362 /nfs/dbraw/zinc/69/63/62/789696362.db2.gz DJDMPNBNZUDRPO-GFCCVEGCSA-N 1 0 347.437 -1.626 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182818682 789696031 /nfs/dbraw/zinc/69/60/31/789696031.db2.gz MWETYMRMFZACCD-SNVBAGLBSA-N 1 0 346.409 -1.933 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182818851 789696520 /nfs/dbraw/zinc/69/65/20/789696520.db2.gz RRGZBSLSWQKMQY-SECBINFHSA-N 1 0 332.382 -2.323 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182818971 789696325 /nfs/dbraw/zinc/69/63/25/789696325.db2.gz SXODQGYNVXEQGZ-GFCCVEGCSA-N 1 0 347.437 -1.626 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)NCC1CC1 ZINC001182819020 789696503 /nfs/dbraw/zinc/69/65/03/789696503.db2.gz VFOIUGJBDXDZBE-GFCCVEGCSA-N 1 0 329.422 -1.252 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)C1CC1 ZINC001182819198 789695980 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ZINC001182839303 789696726 /nfs/dbraw/zinc/69/67/26/789696726.db2.gz CADVEFCTAMVVFZ-MEBBXXQBSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182839730 789695696 /nfs/dbraw/zinc/69/56/96/789695696.db2.gz QFKULGKZMOISLY-QMTHXVAHSA-N 1 0 348.469 -1.126 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC001182848505 789696996 /nfs/dbraw/zinc/69/69/96/789696996.db2.gz NYBJTMCIKDEEHI-SNVBAGLBSA-N 1 0 338.393 -1.027 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccn3nnnc23)C1)C(=O)NC(N)=O ZINC001182859465 789696640 /nfs/dbraw/zinc/69/66/40/789696640.db2.gz CUPSVALLWXLETG-DTWKUNHWSA-N 1 0 346.351 -1.488 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccn3nnnc23)C1)C(=O)NC(N)=O ZINC001182859473 789695629 /nfs/dbraw/zinc/69/56/29/789695629.db2.gz CUPSVALLWXLETG-RKDXNWHRSA-N 1 0 346.351 -1.488 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC001182859805 789696404 /nfs/dbraw/zinc/69/64/04/789696404.db2.gz 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EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879926 789698011 /nfs/dbraw/zinc/69/80/11/789698011.db2.gz ZNXWAAZQVRMCSZ-LLVKDONJSA-N 1 0 337.384 -1.296 20 0 EAADRO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(N)=O ZINC001182881284 789698240 /nfs/dbraw/zinc/69/82/40/789698240.db2.gz NJCFEMOVFVIFEM-KCWFYHRYSA-N 1 0 338.408 -1.013 20 0 EAADRO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(N)=O ZINC001182881292 789698212 /nfs/dbraw/zinc/69/82/12/789698212.db2.gz NJCFEMOVFVIFEM-XIZWVBILSA-N 1 0 338.408 -1.013 20 0 EAADRO CN(CC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1)S(C)(=O)=O ZINC001182881570 789698479 /nfs/dbraw/zinc/69/84/79/789698479.db2.gz FRJQBAAXJSVMBI-HAQNSBGRSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182882310 789697961 /nfs/dbraw/zinc/69/79/61/789697961.db2.gz WQJLSXQGRNIWQY-JTNHKYCSSA-N 1 0 346.453 -1.420 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182882326 789698391 /nfs/dbraw/zinc/69/83/91/789698391.db2.gz WQJLSXQGRNIWQY-UHIISALHSA-N 1 0 346.453 -1.420 20 0 EAADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)S(C)(=O)=O ZINC001182882910 789698098 /nfs/dbraw/zinc/69/80/98/789698098.db2.gz NAWIVURZTOEWSV-JTQLQIEISA-N 1 0 332.382 -1.109 20 0 EAADRO O=C(Cn1nccn1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001182887064 789697702 /nfs/dbraw/zinc/69/77/02/789697702.db2.gz AUMPKHPDNUBKEC-LLVKDONJSA-N 1 0 335.368 -1.590 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182887091 789698062 /nfs/dbraw/zinc/69/80/62/789698062.db2.gz BWHWGXNGKANTHF-LLVKDONJSA-N 1 0 330.414 -1.592 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1)C(=O)NC(=O)NC1CC1 ZINC001182887359 789698409 /nfs/dbraw/zinc/69/84/09/789698409.db2.gz FQKSFWGHWGDNFL-CMPLNLGQSA-N 1 0 349.395 -1.155 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1)C(=O)NC(=O)NC1CC1 ZINC001182887364 789697501 /nfs/dbraw/zinc/69/75/01/789697501.db2.gz FQKSFWGHWGDNFL-ZYHUDNBSSA-N 1 0 349.395 -1.155 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182888145 789698346 /nfs/dbraw/zinc/69/83/46/789698346.db2.gz RLMFXXWTTBVYTK-GFCCVEGCSA-N 1 0 344.441 -1.250 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1)NC[C@H]1CCOC1 ZINC001182888262 789698160 /nfs/dbraw/zinc/69/81/60/789698160.db2.gz UJRJFHWPWODMDN-CHWSQXEVSA-N 1 0 336.396 -1.379 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1)NC[C@@H]1CCOC1 ZINC001182888263 789698268 /nfs/dbraw/zinc/69/82/68/789698268.db2.gz UJRJFHWPWODMDN-QWHCGFSZSA-N 1 0 336.396 -1.379 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182889639 789697833 /nfs/dbraw/zinc/69/78/33/789697833.db2.gz RDTYXSJCGHHKII-YMTOWFKASA-N 1 0 337.384 -1.302 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001182903659 789699763 /nfs/dbraw/zinc/69/97/63/789699763.db2.gz CURFDDUGENFMBX-AXAPSJFSSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001182903660 789700370 /nfs/dbraw/zinc/70/03/70/789700370.db2.gz CURFDDUGENFMBX-PVXIVEMSSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001182910124 789700117 /nfs/dbraw/zinc/70/01/17/789700117.db2.gz DIZMOAGSQCFYMF-JRPNMDOOSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001182910126 789699292 /nfs/dbraw/zinc/69/92/92/789699292.db2.gz DIZMOAGSQCFYMF-UEKVPHQBSA-N 1 0 326.397 -1.007 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001182910147 789699898 /nfs/dbraw/zinc/69/98/98/789699898.db2.gz DVYYPKNZQFESDN-MEBBXXQBSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@]1(C)C[NH2+]CCCO ZINC001182910384 789700110 /nfs/dbraw/zinc/70/01/10/789700110.db2.gz GZPYLEGRSKMBNB-IAQYHMDHSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001182910932 789699202 /nfs/dbraw/zinc/69/92/02/789699202.db2.gz RGHKJLRJFCZTGK-HFBDOXOYSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C)C(N)=O ZINC001182910934 789699540 /nfs/dbraw/zinc/69/95/40/789699540.db2.gz RGHKJLRJFCZTGK-IQMDTDKHSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@]1(C)C[NH2+]CCO ZINC001182911147 789699504 /nfs/dbraw/zinc/69/95/04/789699504.db2.gz YMVMQUMBODCBRP-MLGOLLRUSA-N 1 0 338.408 -1.007 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3[nH]cnc32)C1 ZINC001182912044 789699433 /nfs/dbraw/zinc/69/94/33/789699433.db2.gz FNBMSOGCJMXTPK-MRVPVSSYSA-N 1 0 331.336 -1.043 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182917516 789699600 /nfs/dbraw/zinc/69/96/00/789699600.db2.gz LRRYBBFDWFRBSA-YMTOWFKASA-N 1 0 325.369 -1.902 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001182918596 789699612 /nfs/dbraw/zinc/69/96/12/789699612.db2.gz LGQDNAPMSJLGFA-SECBINFHSA-N 1 0 331.336 -1.043 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccn(C)n2)C1 ZINC001182919098 789698365 /nfs/dbraw/zinc/69/83/65/789698365.db2.gz ZMBBMUSLTGGNAQ-GFCCVEGCSA-N 1 0 336.396 -1.001 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001182924605 789697560 /nfs/dbraw/zinc/69/75/60/789697560.db2.gz JXDOZPMWWGFILI-YMTOWFKASA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccnn2C)C1 ZINC001182927588 789699441 /nfs/dbraw/zinc/69/94/41/789699441.db2.gz MLCWUKUZTIWIBS-LLVKDONJSA-N 1 0 336.396 -1.001 20 0 EAADRO CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001182944835 789699224 /nfs/dbraw/zinc/69/92/24/789699224.db2.gz GBSTWNLGNNYYEE-VIFPVBQESA-N 1 0 339.414 -1.039 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)C1)C(=O)N(C)C ZINC001182954003 789699984 /nfs/dbraw/zinc/69/99/84/789699984.db2.gz OBJWRODQUXYTHK-FRRDWIJNSA-N 1 0 340.424 -1.194 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)C1)C(=O)N(C)C ZINC001182954004 789700128 /nfs/dbraw/zinc/70/01/28/789700128.db2.gz OBJWRODQUXYTHK-RWMBFGLXSA-N 1 0 340.424 -1.194 20 0 EAADRO O=C([C@H]1CCOC1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001182954872 789699653 /nfs/dbraw/zinc/69/96/53/789699653.db2.gz YHFMAPFUCDATON-XQQFMLRXSA-N 1 0 339.392 -1.277 20 0 EAADRO O=C([C@H]1CCOC1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001182954873 789700194 /nfs/dbraw/zinc/70/01/94/789700194.db2.gz YHFMAPFUCDATON-YNEHKIRRSA-N 1 0 339.392 -1.277 20 0 EAADRO CC(C)N1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001182963328 789699344 /nfs/dbraw/zinc/69/93/44/789699344.db2.gz AGUSSWYQYVLUPI-GHMZBOCLSA-N 1 0 339.396 -1.371 20 0 EAADRO CC(C)N1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001182963329 789699925 /nfs/dbraw/zinc/69/99/25/789699925.db2.gz AGUSSWYQYVLUPI-WDEREUQCSA-N 1 0 339.396 -1.371 20 0 EAADRO COCCN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)CC1=O ZINC001182963851 789699377 /nfs/dbraw/zinc/69/93/77/789699377.db2.gz FZMMSRJXZLEATP-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO COCCN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)CC1=O ZINC001182963852 789699940 /nfs/dbraw/zinc/69/99/40/789699940.db2.gz FZMMSRJXZLEATP-QWHCGFSZSA-N 1 0 340.424 -1.240 20 0 EAADRO COCCN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)CC1=O ZINC001182964208 789699415 /nfs/dbraw/zinc/69/94/15/789699415.db2.gz JOTHTNPFXKGKRH-BFHYXJOUSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCN1C[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)CC1=O ZINC001182964215 789699131 /nfs/dbraw/zinc/69/91/31/789699131.db2.gz JOTHTNPFXKGKRH-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCN1C[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)CC1=O ZINC001182964217 789699780 /nfs/dbraw/zinc/69/97/80/789699780.db2.gz JOTHTNPFXKGKRH-MGPQQGTHSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)CC1=O ZINC001182964219 789699886 /nfs/dbraw/zinc/69/98/86/789699886.db2.gz JOTHTNPFXKGKRH-MJBXVCDLSA-N 1 0 343.424 -1.321 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001182964680 789699155 /nfs/dbraw/zinc/69/91/55/789699155.db2.gz PBNXHQKFPHYXEO-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001182964683 789699490 /nfs/dbraw/zinc/69/94/90/789699490.db2.gz PBNXHQKFPHYXEO-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO COCCN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1=O ZINC001182965080 789699580 /nfs/dbraw/zinc/69/95/80/789699580.db2.gz TZEIIXFAFKPVBB-UONOGXRCSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1=O ZINC001182965081 789700176 /nfs/dbraw/zinc/70/01/76/789700176.db2.gz TZEIIXFAFKPVBB-ZIAGYGMSSA-N 1 0 343.424 -1.319 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001182965283 789699456 /nfs/dbraw/zinc/69/94/56/789699456.db2.gz 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CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001182973301 789706031 /nfs/dbraw/zinc/70/60/31/789706031.db2.gz FLAUNBUVLZCEBB-NXEZZACHSA-N 1 0 325.369 -1.889 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001182973302 789705525 /nfs/dbraw/zinc/70/55/25/789705525.db2.gz FLAUNBUVLZCEBB-VHSXEESVSA-N 1 0 325.369 -1.889 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001182973468 789705744 /nfs/dbraw/zinc/70/57/44/789705744.db2.gz LJPREWDEVPZJFM-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001182973469 789704715 /nfs/dbraw/zinc/70/47/15/789704715.db2.gz LJPREWDEVPZJFM-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1)S(C)(=O)=O ZINC001182973699 789705760 /nfs/dbraw/zinc/70/57/60/789705760.db2.gz RQHBVEQOANCZRI-NWDGAFQWSA-N 1 0 346.453 -1.453 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1)S(C)(=O)=O 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ZINC001182991922 789701883 /nfs/dbraw/zinc/70/18/83/789701883.db2.gz MEZGVNALPPDSPP-SNVBAGLBSA-N 1 0 330.414 -1.555 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1 ZINC001182991936 789701659 /nfs/dbraw/zinc/70/16/59/789701659.db2.gz MOTJCPAWRJPWRS-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001182991998 789701519 /nfs/dbraw/zinc/70/15/19/789701519.db2.gz OGTNJUPTLCHBPL-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182992000 789701361 /nfs/dbraw/zinc/70/13/61/789701361.db2.gz OGXQBFRGASRSQB-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001182992421 789702230 /nfs/dbraw/zinc/70/22/30/789702230.db2.gz PCVRAGHIIWRJLV-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001182992455 789701805 /nfs/dbraw/zinc/70/18/05/789701805.db2.gz QEYVNFXDPVJUNI-LLVKDONJSA-N 1 0 347.441 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789701283 /nfs/dbraw/zinc/70/12/83/789701283.db2.gz SVOGJVJKOUUHLX-LLVKDONJSA-N 1 0 330.414 -1.592 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001182992689 789701085 /nfs/dbraw/zinc/70/10/85/789701085.db2.gz VNDSAOQOZTVPKK-LLVKDONJSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001182992809 789700757 /nfs/dbraw/zinc/70/07/57/789700757.db2.gz WJFXFRQVSXRACU-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001182992919 789702011 /nfs/dbraw/zinc/70/20/11/789702011.db2.gz YZNRGIXPIAFYMY-SNVBAGLBSA-N 1 0 341.455 -1.839 20 0 EAADRO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1)S(C)(=O)=O ZINC001182998592 789702303 /nfs/dbraw/zinc/70/23/03/789702303.db2.gz APWLKIHHQDLZED-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)S(C)(=O)=O ZINC001182998593 789702181 /nfs/dbraw/zinc/70/21/81/789702181.db2.gz AQEHMMFXOMMSCN-LLVKDONJSA-N 1 0 332.426 -1.699 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-1.387 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1)C(=O)NC(N)=O ZINC001183069714 790318511 /nfs/dbraw/zinc/31/85/11/790318511.db2.gz YJMFDOYEHYJBLE-HTQZYQBOSA-N 1 0 346.351 -1.260 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1)C(=O)NC(N)=O ZINC001183069722 790318455 /nfs/dbraw/zinc/31/84/55/790318455.db2.gz YJMFDOYEHYJBLE-JGVFFNPUSA-N 1 0 346.351 -1.260 20 0 EAADRO COCC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCOCC1 ZINC001183086641 790317917 /nfs/dbraw/zinc/31/79/17/790317917.db2.gz IGTJFYJLZQRJMU-LLVKDONJSA-N 1 0 342.396 -1.185 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@]1(C)C[NH2+]CCO ZINC001183096428 790320842 /nfs/dbraw/zinc/32/08/42/790320842.db2.gz DGKKWTMHXFWNOG-IAQYHMDHSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183098400 790319824 /nfs/dbraw/zinc/31/98/24/790319824.db2.gz ZNTJVFCWALFJCJ-MEBBXXQBSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183117642 790320259 /nfs/dbraw/zinc/32/02/59/790320259.db2.gz NZLJVZPAXUNEOW-YMTOWFKASA-N 1 0 337.384 -1.384 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cnn(C)c2C)C1 ZINC001183124662 790320092 /nfs/dbraw/zinc/32/00/92/790320092.db2.gz GMICWYAXAKJTPL-GFCCVEGCSA-N 1 0 336.396 -1.083 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183143120 790320282 /nfs/dbraw/zinc/32/02/82/790320282.db2.gz KBZKERBTJKDZOW-MEBBXXQBSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@]1(C)C[NH2+]CCO ZINC001183143903 790321623 /nfs/dbraw/zinc/32/16/23/790321623.db2.gz XRMAJCYYSWCBKE-IAQYHMDHSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183152195 790320239 /nfs/dbraw/zinc/32/02/39/790320239.db2.gz JZKJHUPMABWCLD-RFAUZJTJSA-N 1 0 347.379 -1.409 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001183177893 790320630 /nfs/dbraw/zinc/32/06/30/790320630.db2.gz POKFKHUQQYMASW-CMPLNLGQSA-N 1 0 346.391 -1.033 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001183177894 790319685 /nfs/dbraw/zinc/31/96/85/790319685.db2.gz POKFKHUQQYMASW-ZYHUDNBSSA-N 1 0 346.391 -1.033 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCn2ccnn2)C1)C(=O)NC(N)=O ZINC001183206168 790323686 /nfs/dbraw/zinc/32/36/86/790323686.db2.gz GTRFQJXPIOKRPY-GHMZBOCLSA-N 1 0 337.384 -1.168 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCn2ccnn2)C1)C(=O)NC(N)=O ZINC001183206172 790322517 /nfs/dbraw/zinc/32/25/17/790322517.db2.gz GTRFQJXPIOKRPY-WDEREUQCSA-N 1 0 337.384 -1.168 20 0 EAADRO O=C(CCCn1ccnn1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001183206474 790324075 /nfs/dbraw/zinc/32/40/75/790324075.db2.gz IQBVUNCDEAHOJO-GFCCVEGCSA-N 1 0 349.395 -1.199 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCCn2ccnn2)C1 ZINC001183207043 790322720 /nfs/dbraw/zinc/32/27/20/790322720.db2.gz NMSUALRTSKTGNH-GFCCVEGCSA-N 1 0 344.441 -1.202 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCn2ccnn2)C1 ZINC001183207107 790322768 /nfs/dbraw/zinc/32/27/68/790322768.db2.gz OAPMTIOPUFTFFW-LLVKDONJSA-N 1 0 337.384 -1.296 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183207574 790323555 /nfs/dbraw/zinc/32/35/55/790323555.db2.gz NMVFJFIVSGZGMG-HFBDOXOYSA-N 1 0 339.396 -1.466 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001183213539 790320216 /nfs/dbraw/zinc/32/02/16/790320216.db2.gz FEPSMJUNDLYQFE-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001183213540 790320873 /nfs/dbraw/zinc/32/08/73/790320873.db2.gz FEPSMJUNDLYQFE-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3ccnn32)C1 ZINC001183213546 790320138 /nfs/dbraw/zinc/32/01/38/790320138.db2.gz FMPUHLUKTABWMX-SECBINFHSA-N 1 0 331.336 -1.272 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183213927 790321409 /nfs/dbraw/zinc/32/14/09/790321409.db2.gz KPRZLPWOBCDPOW-SNVBAGLBSA-N 1 0 337.384 -1.134 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001183214585 790321508 /nfs/dbraw/zinc/32/15/08/790321508.db2.gz ROWXCFWNCHJFLM-NXEZZACHSA-N 1 0 325.369 -1.712 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001183214591 790319883 /nfs/dbraw/zinc/31/98/83/790319883.db2.gz ROWXCFWNCHJFLM-VHSXEESVSA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3ccnn32)C1 ZINC001183214704 790320525 /nfs/dbraw/zinc/32/05/25/790320525.db2.gz UMZRSXZVAOQRIA-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001183215146 790320551 /nfs/dbraw/zinc/32/05/51/790320551.db2.gz ZBLDDYWQVKSKQU-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001183215147 790320989 /nfs/dbraw/zinc/32/09/89/790320989.db2.gz ZBLDDYWQVKSKQU-WDEREUQCSA-N 1 0 339.396 -1.451 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001183222010 790321330 /nfs/dbraw/zinc/32/13/30/790321330.db2.gz DTRCPUWSIWGGGN-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001183222011 790321383 /nfs/dbraw/zinc/32/13/83/790321383.db2.gz DTRCPUWSIWGGGN-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222055 790319706 /nfs/dbraw/zinc/31/97/06/790319706.db2.gz GCYWFKIDDVISTD-NXEZZACHSA-N 1 0 325.369 -1.841 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222057 790321055 /nfs/dbraw/zinc/32/10/55/790321055.db2.gz GCYWFKIDDVISTD-VHSXEESVSA-N 1 0 325.369 -1.841 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001183222287 790321101 /nfs/dbraw/zinc/32/11/01/790321101.db2.gz KZGHKLGVSFVVEU-NXEZZACHSA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001183222288 790320939 /nfs/dbraw/zinc/32/09/39/790320939.db2.gz KZGHKLGVSFVVEU-VHSXEESVSA-N 1 0 337.384 -1.006 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222292 790320759 /nfs/dbraw/zinc/32/07/59/790320759.db2.gz LAGOXFRZEGPNDQ-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222293 790321483 /nfs/dbraw/zinc/32/14/83/790321483.db2.gz LAGOXFRZEGPNDQ-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222316 790320459 /nfs/dbraw/zinc/32/04/59/790320459.db2.gz LSFNCPOCRXQMBN-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222317 790319781 /nfs/dbraw/zinc/31/97/81/790319781.db2.gz LSFNCPOCRXQMBN-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222442 790320657 /nfs/dbraw/zinc/32/06/57/790320657.db2.gz MRSJDUZDHHMZHI-GHMZBOCLSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222443 790322314 /nfs/dbraw/zinc/32/23/14/790322314.db2.gz MRSJDUZDHHMZHI-WDEREUQCSA-N 1 0 332.426 -1.748 20 0 EAADRO CCn1nnc(C)c1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183222490 790323504 /nfs/dbraw/zinc/32/35/04/790323504.db2.gz OSCVPGXMNBMMPH-LLVKDONJSA-N 1 0 344.441 -1.040 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222495 790322579 /nfs/dbraw/zinc/32/25/79/790322579.db2.gz OVKOFGDWBUTHIO-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222496 790323714 /nfs/dbraw/zinc/32/37/14/790323714.db2.gz OVKOFGDWBUTHIO-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222499 790323987 /nfs/dbraw/zinc/32/39/87/790323987.db2.gz OZNFXZOYYGVFFY-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222500 790323236 /nfs/dbraw/zinc/32/32/36/790323236.db2.gz OZNFXZOYYGVFFY-WDEREUQCSA-N 1 0 339.396 -1.451 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222631 790322389 /nfs/dbraw/zinc/32/23/89/790322389.db2.gz PTYKAJDYIXNROR-UONOGXRCSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222632 790323211 /nfs/dbraw/zinc/32/32/11/790323211.db2.gz PTYKAJDYIXNROR-ZIAGYGMSSA-N 1 0 340.424 -1.144 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001183229026 790321928 /nfs/dbraw/zinc/32/19/28/790321928.db2.gz ASMVYAZGFQIZEF-NXEZZACHSA-N 1 0 346.409 -1.661 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001183229030 790323335 /nfs/dbraw/zinc/32/33/35/790323335.db2.gz ASMVYAZGFQIZEF-ZJUUUORDSA-N 1 0 346.409 -1.661 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC001183229148 790322915 /nfs/dbraw/zinc/32/29/15/790322915.db2.gz CUUAHBCXTSAOCG-SNVBAGLBSA-N 1 0 335.368 -1.459 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC001183229516 790323631 /nfs/dbraw/zinc/32/36/31/790323631.db2.gz LDZFRQNOSWEMBT-LLVKDONJSA-N 1 0 349.395 -1.198 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1)C(=O)NC(N)=O ZINC001183229521 790322138 /nfs/dbraw/zinc/32/21/38/790322138.db2.gz LGWOZXBSFKYQSA-GXSJLCMTSA-N 1 0 349.395 -1.071 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1)C(=O)NC(N)=O ZINC001183229522 790323737 /nfs/dbraw/zinc/32/37/37/790323737.db2.gz LGWOZXBSFKYQSA-MWLCHTKSSA-N 1 0 349.395 -1.071 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295786 790323154 /nfs/dbraw/zinc/32/31/54/790323154.db2.gz ASKKRKDNHFRYKJ-LLVKDONJSA-N 1 0 348.425 -2.415 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C1CC1 ZINC001183295845 790322618 /nfs/dbraw/zinc/32/26/18/790322618.db2.gz DEPATLLFMCKBOK-GFCCVEGCSA-N 1 0 338.408 -1.344 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295884 790323619 /nfs/dbraw/zinc/32/36/19/790323619.db2.gz GEFMWLBWSPJAKZ-GFCCVEGCSA-N 1 0 347.437 -1.530 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295899 790322060 /nfs/dbraw/zinc/32/20/60/790322060.db2.gz GPFYYHALTJUCLU-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295923 790323262 /nfs/dbraw/zinc/32/32/62/790323262.db2.gz HUFJPRVKNLLVCK-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295924 790322744 /nfs/dbraw/zinc/32/27/44/790322744.db2.gz HUFJPRVKNLLVCK-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295936 790323133 /nfs/dbraw/zinc/32/31/33/790323133.db2.gz IIJZOPXKWDIQGN-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295945 790322490 /nfs/dbraw/zinc/32/24/90/790322490.db2.gz ISNDLRKXNXICHS-SECBINFHSA-N 1 0 327.341 -2.769 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(=O)N(C)C ZINC001183295983 790323462 /nfs/dbraw/zinc/32/34/62/790323462.db2.gz LHYVNGUTKVJLJM-NWDGAFQWSA-N 1 0 326.397 -1.488 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(=O)N(C)C ZINC001183295984 790323074 /nfs/dbraw/zinc/32/30/74/790323074.db2.gz LHYVNGUTKVJLJM-VXGBXAGGSA-N 1 0 326.397 -1.488 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296019 790323478 /nfs/dbraw/zinc/32/34/78/790323478.db2.gz NGTLUSQDPXCGIX-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296030 790322001 /nfs/dbraw/zinc/32/20/01/790322001.db2.gz NUBNRXVJRBPEPX-LLVKDONJSA-N 1 0 333.410 -1.920 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001183296036 790322212 /nfs/dbraw/zinc/32/22/12/790322212.db2.gz OARBZCAZSSSCHN-SECBINFHSA-N 1 0 336.352 -1.465 20 0 EAADRO O=C(CN1CCOCC1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001183296041 790323538 /nfs/dbraw/zinc/32/35/38/790323538.db2.gz OGQZSSTXFFUNAI-CYBMUJFWSA-N 1 0 338.408 -1.438 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296078 790323937 /nfs/dbraw/zinc/32/39/37/790323937.db2.gz PSDYMRGRKZFOOF-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296113 790323421 /nfs/dbraw/zinc/32/34/21/790323421.db2.gz QXBUVBKUEHFYRE-CYBMUJFWSA-N 1 0 340.424 -1.098 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296127 790321982 /nfs/dbraw/zinc/32/19/82/790321982.db2.gz ROVWLZXVPCTAJG-GFCCVEGCSA-N 1 0 326.397 -1.486 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296142 790322643 /nfs/dbraw/zinc/32/26/43/790322643.db2.gz SKNYEKYFGVISLK-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)NCC1CC1 ZINC001183296190 790322114 /nfs/dbraw/zinc/32/21/14/790322114.db2.gz VKZUXEOCHRGALZ-CYBMUJFWSA-N 1 0 338.408 -1.438 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296214 790323582 /nfs/dbraw/zinc/32/35/82/790323582.db2.gz WRZXYMXRRWYTPA-GFCCVEGCSA-N 1 0 326.397 -1.440 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296221 790322202 /nfs/dbraw/zinc/32/22/02/790322202.db2.gz XHBRHVBUUZRXRJ-CYBMUJFWSA-N 1 0 329.397 -1.301 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183296228 790323395 /nfs/dbraw/zinc/32/33/95/790323395.db2.gz XQQCSGRIEHZPHT-SNVBAGLBSA-N 1 0 341.368 -2.509 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001183297158 790323961 /nfs/dbraw/zinc/32/39/61/790323961.db2.gz BSMBWIJKFJTUGO-BXUZGUMPSA-N 1 0 348.469 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183297605 790322049 /nfs/dbraw/zinc/32/20/49/790322049.db2.gz KWGMYDYWEUQNIX-ZWNOBZJWSA-N 1 0 334.442 -1.563 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001183298035 790322850 /nfs/dbraw/zinc/32/28/50/790322850.db2.gz NJEYYCBZJWCYGO-AXAPSJFSSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001183298040 790322819 /nfs/dbraw/zinc/32/28/19/790322819.db2.gz NJEYYCBZJWCYGO-PVXIVEMSSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001183298056 790323007 /nfs/dbraw/zinc/32/30/07/790323007.db2.gz NSOAMFFDTVKCCG-JTNHKYCSSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001183298061 790323180 /nfs/dbraw/zinc/32/31/80/790323180.db2.gz NSOAMFFDTVKCCG-UHIISALHSA-N 1 0 348.469 -1.174 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001183304004 790323897 /nfs/dbraw/zinc/32/38/97/790323897.db2.gz CHTUCTUKVSJYBA-SNVBAGLBSA-N 1 0 343.409 -1.371 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(=O)NC1CC1 ZINC001183304010 790322417 /nfs/dbraw/zinc/32/24/17/790322417.db2.gz CUBHXKMUVSQTSO-DGCLKSJQSA-N 1 0 338.408 -1.297 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(=O)NC1CC1 ZINC001183304011 790322362 /nfs/dbraw/zinc/32/23/62/790322362.db2.gz CUBHXKMUVSQTSO-WCQYABFASA-N 1 0 338.408 -1.297 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCO)C2)c(=O)n1C ZINC001183304061 790322170 /nfs/dbraw/zinc/32/21/70/790322170.db2.gz FVHCYXGBAMIEOJ-IAQYHMDHSA-N 1 0 325.413 -1.043 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1)C(=O)NC(N)=O ZINC001183304184 790322596 /nfs/dbraw/zinc/32/25/96/790322596.db2.gz GVEHBRJDAXTJIM-IONNQARKSA-N 1 0 346.351 -1.260 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1)C(=O)NC(N)=O ZINC001183304185 790323915 /nfs/dbraw/zinc/32/39/15/790323915.db2.gz GVEHBRJDAXTJIM-VXNVDRBHSA-N 1 0 346.351 -1.260 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183304196 790322273 /nfs/dbraw/zinc/32/22/73/790322273.db2.gz HANCIBHEJXCMEP-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183304197 790322986 /nfs/dbraw/zinc/32/29/86/790322986.db2.gz HANCIBHEJXCMEP-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn3ccncc23)C1 ZINC001183304234 790324049 /nfs/dbraw/zinc/32/40/49/790324049.db2.gz JAPBGPTUAIAJEA-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001183304240 790322340 /nfs/dbraw/zinc/32/23/40/790322340.db2.gz JJSCGCIRVUGRHB-SECBINFHSA-N 1 0 346.351 -1.387 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(=O)NC(N)=O ZINC001183304412 790325127 /nfs/dbraw/zinc/32/51/27/790325127.db2.gz MEOKRDHAPUEOAB-NXEZZACHSA-N 1 0 341.368 -2.381 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(=O)NC(N)=O ZINC001183304413 790326000 /nfs/dbraw/zinc/32/60/00/790326000.db2.gz MEOKRDHAPUEOAB-VHSXEESVSA-N 1 0 341.368 -2.381 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001183304630 790325551 /nfs/dbraw/zinc/32/55/51/790325551.db2.gz RFFNBSIMSONZDU-MRVPVSSYSA-N 1 0 332.324 -1.648 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001183304723 790326372 /nfs/dbraw/zinc/32/63/72/790326372.db2.gz ZHTXEMHOVCKYIW-MEBBXXQBSA-N 1 0 338.412 -1.550 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn3ccncc23)C1 ZINC001183304736 790324879 /nfs/dbraw/zinc/32/48/79/790324879.db2.gz SUQQGSGMMBFDSU-SECBINFHSA-N 1 0 331.336 -1.272 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)C(=O)NC(N)=O ZINC001183304796 790324978 /nfs/dbraw/zinc/32/49/78/790324978.db2.gz WIAFHPQQBCDIKB-DTWKUNHWSA-N 1 0 336.352 -1.337 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)C(=O)NC(N)=O ZINC001183304797 790324383 /nfs/dbraw/zinc/32/43/83/790324383.db2.gz WIAFHPQQBCDIKB-RKDXNWHRSA-N 1 0 336.352 -1.337 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn3ncccc23)C1 ZINC001183304877 790325328 /nfs/dbraw/zinc/32/53/28/790325328.db2.gz ZUMJQRSNRDNHDC-SECBINFHSA-N 1 0 331.336 -1.272 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn3ncccc23)C1 ZINC001183317444 790325406 /nfs/dbraw/zinc/32/54/06/790325406.db2.gz KERSXFJTCUVTNP-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cn(C)nc2C)C1 ZINC001183317544 790325273 /nfs/dbraw/zinc/32/52/73/790325273.db2.gz MZYAWCYEBRMFNZ-GFCCVEGCSA-N 1 0 336.396 -1.083 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001183332903 790325605 /nfs/dbraw/zinc/32/56/05/790325605.db2.gz OJECDZRAELBJPH-SECBINFHSA-N 1 0 349.347 -1.148 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@]1(C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001183336976 790324261 /nfs/dbraw/zinc/32/42/61/790324261.db2.gz GQNZIMAFLRJLBW-IAQYHMDHSA-N 1 0 348.411 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183337334 790324297 /nfs/dbraw/zinc/32/42/97/790324297.db2.gz JKPVJPSBWBVHAQ-QMTHXVAHSA-N 1 0 337.384 -1.453 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)NCC1CC1 ZINC001183344717 790324357 /nfs/dbraw/zinc/32/43/57/790324357.db2.gz BEDNPIOWWIWLQM-MNOVXSKESA-N 1 0 337.380 -1.699 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344759 790325194 /nfs/dbraw/zinc/32/51/94/790325194.db2.gz DGLNUFNJVBTESF-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344790 790326290 /nfs/dbraw/zinc/32/62/90/790326290.db2.gz FLJHNVHLFOBQGX-RQJHMYQMSA-N 1 0 326.313 -3.030 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344804 790325895 /nfs/dbraw/zinc/32/58/95/790325895.db2.gz GEBBRGANJZCBFA-MNOVXSKESA-N 1 0 339.396 -1.358 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344831 790325723 /nfs/dbraw/zinc/32/57/23/790325723.db2.gz HKFCULDDNOEQTP-ZJUUUORDSA-N 1 0 346.409 -1.790 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344852 790326163 /nfs/dbraw/zinc/32/61/63/790326163.db2.gz ISLJNAQMMUWCRW-AXFHLTTASA-N 1 0 339.396 -1.310 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344853 790324907 /nfs/dbraw/zinc/32/49/07/790324907.db2.gz ISLJNAQMMUWCRW-MXWKQRLJSA-N 1 0 339.396 -1.310 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344877 790325432 /nfs/dbraw/zinc/32/54/32/790325432.db2.gz JOZDZTPRYXHWDS-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345038 790325699 /nfs/dbraw/zinc/32/56/99/790325699.db2.gz MEDJENOBUGJAAM-ZJUUUORDSA-N 1 0 325.369 -1.747 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345044 790326454 /nfs/dbraw/zinc/32/64/54/790326454.db2.gz MMQCYKXYBAXEQE-BDAKNGLRSA-N 1 0 332.382 -2.180 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001183345056 790325184 /nfs/dbraw/zinc/32/51/84/790325184.db2.gz NFGZRIBFISOLAL-MNOVXSKESA-N 1 0 337.380 -1.699 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345063 790324793 /nfs/dbraw/zinc/32/47/93/790324793.db2.gz NOYXQFSWEUWIJA-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(=O)N(C)C ZINC001183345146 790325930 /nfs/dbraw/zinc/32/59/30/790325930.db2.gz QGEZTGAVVBEFCP-AEJSXWLSSA-N 1 0 325.369 -1.748 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(=O)N(C)C ZINC001183345148 790324705 /nfs/dbraw/zinc/32/47/05/790324705.db2.gz QGEZTGAVVBEFCP-BBBLOLIVSA-N 1 0 325.369 -1.748 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345224 790324961 /nfs/dbraw/zinc/32/49/61/790324961.db2.gz SXULOADAUWFEPH-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C1CC1 ZINC001183345225 790325372 /nfs/dbraw/zinc/32/53/72/790325372.db2.gz SZLQWZUKWOAOAS-KOLCDFICSA-N 1 0 337.380 -1.604 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345324 790324568 /nfs/dbraw/zinc/32/45/68/790324568.db2.gz WGUABFZHGOYQTO-MNOVXSKESA-N 1 0 328.369 -1.562 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345351 790324845 /nfs/dbraw/zinc/32/48/45/790324845.db2.gz XGLLBGBSFNNBNW-BDAKNGLRSA-N 1 0 347.397 -2.676 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345360 790325000 /nfs/dbraw/zinc/32/50/00/790325000.db2.gz XQHCVMDITUAVHO-ZJUUUORDSA-N 1 0 325.369 -1.700 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345361 790325482 /nfs/dbraw/zinc/32/54/82/790325482.db2.gz XSKAOEMJHUTPNT-SFYZADRCSA-N 1 0 340.340 -2.769 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183345406 790326346 /nfs/dbraw/zinc/32/63/46/790326346.db2.gz ZNOMFKBPDSEMPC-MNOVXSKESA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183348070 790325627 /nfs/dbraw/zinc/32/56/27/790325627.db2.gz HDFAMOSZKQTGGI-YMTOWFKASA-N 1 0 342.400 -1.686 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@]1(C)C[NH2+]CCO ZINC001183348849 790326377 /nfs/dbraw/zinc/32/63/77/790326377.db2.gz QQOWQOKDTDQZAG-IAQYHMDHSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183349018 790326097 /nfs/dbraw/zinc/32/60/97/790326097.db2.gz SVEBVPISQIVNEP-MEBBXXQBSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001183349400 790325313 /nfs/dbraw/zinc/32/53/13/790325313.db2.gz YDYPTVBTDAURNV-QMTHXVAHSA-N 1 0 338.416 -1.157 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183349424 790324921 /nfs/dbraw/zinc/32/49/21/790324921.db2.gz ZIPZRPBKFUGMRZ-HFBDOXOYSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183349425 790326412 /nfs/dbraw/zinc/32/64/12/790326412.db2.gz ZIPZRPBKFUGMRZ-IQMDTDKHSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(=O)NC(N)=O ZINC001183353887 790325770 /nfs/dbraw/zinc/32/57/70/790325770.db2.gz FZGXHVKTEDQFQR-PRJMDXOYSA-N 1 0 340.340 -2.642 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(=O)NC(N)=O ZINC001183353888 790326184 /nfs/dbraw/zinc/32/61/84/790326184.db2.gz FZGXHVKTEDQFQR-RNJXMRFFSA-N 1 0 340.340 -2.642 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(=O)NC1CC1 ZINC001183353997 790325664 /nfs/dbraw/zinc/32/56/64/790325664.db2.gz KYWSYRRGALHLAP-GDPRMGEGSA-N 1 0 337.380 -1.558 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(=O)NC1CC1 ZINC001183353998 790324538 /nfs/dbraw/zinc/32/45/38/790324538.db2.gz KYWSYRRGALHLAP-IEBDPFPHSA-N 1 0 337.380 -1.558 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC001183354244 790325946 /nfs/dbraw/zinc/32/59/46/790325946.db2.gz XMNVQDZVOVTAFK-MXWKQRLJSA-N 1 0 339.396 -1.181 20 0 EAADRO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC001183354245 790326424 /nfs/dbraw/zinc/32/64/24/790326424.db2.gz XMNVQDZVOVTAFK-VWYCJHECSA-N 1 0 339.396 -1.181 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183354272 790325863 /nfs/dbraw/zinc/32/58/63/790325863.db2.gz YZTWHXBJILKOGM-AXFHLTTASA-N 1 0 339.396 -1.310 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183354273 790325746 /nfs/dbraw/zinc/32/57/46/790325746.db2.gz YZTWHXBJILKOGM-MXWKQRLJSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001183356006 790326056 /nfs/dbraw/zinc/32/60/56/790326056.db2.gz BPXNWRSCNUWRDZ-JRPNMDOOSA-N 1 0 326.397 -1.007 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001183356007 790324585 /nfs/dbraw/zinc/32/45/85/790324585.db2.gz BPXNWRSCNUWRDZ-UEKVPHQBSA-N 1 0 326.397 -1.007 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001183356025 790324624 /nfs/dbraw/zinc/32/46/24/790324624.db2.gz CHQMMCQZSWLJKR-BDJLRTHQSA-N 1 0 338.408 -1.044 20 0 EAADRO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001183356036 790325985 /nfs/dbraw/zinc/32/59/85/790325985.db2.gz CUHUHHPLXFEJRZ-HFBDOXOYSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001183356037 790325254 /nfs/dbraw/zinc/32/52/54/790325254.db2.gz CUHUHHPLXFEJRZ-IQMDTDKHSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183356317 790324639 /nfs/dbraw/zinc/32/46/39/790324639.db2.gz FXUZPHNZBGWEOV-RFAUZJTJSA-N 1 0 334.380 -1.251 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001183356377 790325054 /nfs/dbraw/zinc/32/50/54/790325054.db2.gz JDWCAXVRJHIMHJ-MEBBXXQBSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183356963 790325507 /nfs/dbraw/zinc/32/55/07/790325507.db2.gz SLWQOYYJILOOPS-YMTOWFKASA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@]1(C)C[NH2+]CCCO ZINC001183357082 790326430 /nfs/dbraw/zinc/32/64/30/790326430.db2.gz VQAXHTVIIICGQO-IAQYHMDHSA-N 1 0 326.397 -1.005 20 0 EAADRO CC(C)[C@H](C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[NH+](C)C ZINC001183365675 790324818 /nfs/dbraw/zinc/32/48/18/790324818.db2.gz IQLKVYUENIUGQP-VUZIRADBSA-N 1 0 334.413 -1.467 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001183368059 790326324 /nfs/dbraw/zinc/32/63/24/790326324.db2.gz AXNCDVJZBSJPEA-UMNHJUIQSA-N 1 0 328.369 -1.564 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001183368164 790326069 /nfs/dbraw/zinc/32/60/69/790326069.db2.gz CYUSTWGQXZTSEN-SECBINFHSA-N 1 0 336.352 -1.960 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)cc1=O ZINC001183368543 790324474 /nfs/dbraw/zinc/32/44/74/790324474.db2.gz GUCWYUAZCNZUHV-SNVBAGLBSA-N 1 0 343.409 -1.866 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)cc1=O ZINC001183369139 790324949 /nfs/dbraw/zinc/32/49/49/790324949.db2.gz NLOLQFKHIOISHT-CHWSQXEVSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)cc1=O ZINC001183369143 790325586 /nfs/dbraw/zinc/32/55/86/790325586.db2.gz NLOLQFKHIOISHT-OLZOCXBDSA-N 1 0 346.391 -1.158 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001183369503 790327789 /nfs/dbraw/zinc/32/77/89/790327789.db2.gz OPKIYTHLWHWICQ-XQQFMLRXSA-N 1 0 349.453 -1.080 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001183369546 790327236 /nfs/dbraw/zinc/32/72/36/790327236.db2.gz QRTUNIFVXIDFRQ-LOWVWBTDSA-N 1 0 342.396 -1.174 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)cc1=O ZINC001183369582 790327362 /nfs/dbraw/zinc/32/73/62/790327362.db2.gz RVDJUJXRZYLOSN-SNVBAGLBSA-N 1 0 328.394 -1.371 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183369586 790326911 /nfs/dbraw/zinc/32/69/11/790326911.db2.gz RYTRILPYVJQQOB-TUAOUCFPSA-N 1 0 335.426 -1.470 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1)C(=O)NC(N)=O ZINC001183369646 790328008 /nfs/dbraw/zinc/32/80/08/790328008.db2.gz UTKUPAQHDXEGOE-DTWKUNHWSA-N 1 0 336.352 -1.832 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1)C(=O)NC(N)=O ZINC001183369650 790328296 /nfs/dbraw/zinc/32/82/96/790328296.db2.gz UTKUPAQHDXEGOE-RKDXNWHRSA-N 1 0 336.352 -1.832 20 0 EAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001183369908 790327103 /nfs/dbraw/zinc/32/71/03/790327103.db2.gz ZBUCRWKLCZZMHF-XQQFMLRXSA-N 1 0 349.453 -1.128 20 0 EAADRO Cn1cnc2cncc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)c21 ZINC001183378579 790326941 /nfs/dbraw/zinc/32/69/41/790326941.db2.gz VMAZXSHPOVWPPE-SECBINFHSA-N 1 0 345.363 -1.033 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183380143 790327444 /nfs/dbraw/zinc/32/74/44/790327444.db2.gz WFJPUAIRHGDEIT-XRXQPUKHSA-N 1 0 332.397 -1.713 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183383069 790326721 /nfs/dbraw/zinc/32/67/21/790326721.db2.gz MOVUOKQCKMLVHZ-RFAUZJTJSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@@]1(C)C[NH2+]CCO ZINC001183383091 790328594 /nfs/dbraw/zinc/32/85/94/790328594.db2.gz NIIXOTCJMXIMAI-UKRRQHHQSA-N 1 0 347.481 -1.217 20 0 EAADRO CC[C@@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCNC1=O ZINC001183390068 790325451 /nfs/dbraw/zinc/32/54/51/790325451.db2.gz GFDNGAABGVRBFA-BXUZGUMPSA-N 1 0 346.453 -1.358 20 0 EAADRO CC[C@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCNC1=O ZINC001183390069 790325222 /nfs/dbraw/zinc/32/52/22/790325222.db2.gz GFDNGAABGVRBFA-RISCZKNCSA-N 1 0 346.453 -1.358 20 0 EAADRO CC[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CCNC1=O ZINC001183390142 790326136 /nfs/dbraw/zinc/32/61/36/790326136.db2.gz IBXNEMPCHOCBPO-BMIGLBTASA-N 1 0 339.396 -1.451 20 0 EAADRO CC[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CCNC1=O ZINC001183390144 790324319 /nfs/dbraw/zinc/32/43/19/790324319.db2.gz IBXNEMPCHOCBPO-MEBBXXQBSA-N 1 0 339.396 -1.451 20 0 EAADRO CC[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC1=O ZINC001183392545 790325239 /nfs/dbraw/zinc/32/52/39/790325239.db2.gz XYYUVDWBRWMKAN-OTYXRUKQSA-N 1 0 325.369 -1.712 20 0 EAADRO CC[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC1=O ZINC001183392546 790324437 /nfs/dbraw/zinc/32/44/37/790324437.db2.gz XYYUVDWBRWMKAN-YMTOWFKASA-N 1 0 325.369 -1.712 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 ZINC001183402396 790325293 /nfs/dbraw/zinc/32/52/93/790325293.db2.gz HFKKDRRBACHCKE-SECBINFHSA-N 1 0 336.352 -1.588 20 0 EAADRO Cc1cc(OCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001183414876 790326570 /nfs/dbraw/zinc/32/65/70/790326570.db2.gz VKHSAGMHWCJTIY-SECBINFHSA-N 1 0 325.325 -1.253 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183421549 790327424 /nfs/dbraw/zinc/32/74/24/790327424.db2.gz AYUFRHIHNCJDMV-SECBINFHSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001183421798 790328258 /nfs/dbraw/zinc/32/82/58/790328258.db2.gz GMMLKQTVVHJAQO-GFCCVEGCSA-N 1 0 340.424 -1.016 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183421892 790327394 /nfs/dbraw/zinc/32/73/94/790327394.db2.gz IVEQSSKVYYKYMM-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183422066 790327850 /nfs/dbraw/zinc/32/78/50/790327850.db2.gz ORIUTJSFVFAQPI-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183422158 790327888 /nfs/dbraw/zinc/32/78/88/790327888.db2.gz QMIAZLHAIDUVSF-NXEZZACHSA-N 1 0 341.412 -1.077 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183422165 790326630 /nfs/dbraw/zinc/32/66/30/790326630.db2.gz QMIAZLHAIDUVSF-VHSXEESVSA-N 1 0 341.412 -1.077 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001183426586 790327192 /nfs/dbraw/zinc/32/71/92/790327192.db2.gz XXZPNEYVECSYHH-JTNHKYCSSA-N 1 0 346.453 -1.502 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001183426587 790328101 /nfs/dbraw/zinc/32/81/01/790328101.db2.gz XXZPNEYVECSYHH-UHIISALHSA-N 1 0 346.453 -1.502 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183426607 790328241 /nfs/dbraw/zinc/32/82/41/790328241.db2.gz YZMGBDAJRHDCEV-GBIKHYSHSA-N 1 0 332.426 -1.762 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183426608 790326789 /nfs/dbraw/zinc/32/67/89/790326789.db2.gz YZMGBDAJRHDCEV-GIPNMCIBSA-N 1 0 332.426 -1.762 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)S(C)(=O)=O ZINC001183426776 790328319 /nfs/dbraw/zinc/32/83/19/790328319.db2.gz APVQEZKYKHDFNB-SNVBAGLBSA-N 1 0 334.442 -1.420 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183426892 790327466 /nfs/dbraw/zinc/32/74/66/790327466.db2.gz CPVPVUQFGYLXTC-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183427694 790328123 /nfs/dbraw/zinc/32/81/23/790328123.db2.gz NHWMFNXINGYIJI-NEPJUHHUSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183427697 790327056 /nfs/dbraw/zinc/32/70/56/790327056.db2.gz NHWMFNXINGYIJI-VXGBXAGGSA-N 1 0 331.413 -1.288 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183427704 790326735 /nfs/dbraw/zinc/32/67/35/790326735.db2.gz NPGUTVIIZQLHFA-GFCCVEGCSA-N 1 0 328.413 -1.159 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001183427738 790326820 /nfs/dbraw/zinc/32/68/20/790326820.db2.gz OTROCFUZLRXBSM-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001183428040 790327258 /nfs/dbraw/zinc/32/72/58/790327258.db2.gz QVMSGPNGOIOTDT-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183428079 790327875 /nfs/dbraw/zinc/32/78/75/790327875.db2.gz RZEJANCDSVEZLD-LLVKDONJSA-N 1 0 348.469 -1.030 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001183428132 790327562 /nfs/dbraw/zinc/32/75/62/790327562.db2.gz UXOBNAWBXZCALD-NEPJUHHUSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001183428134 790327521 /nfs/dbraw/zinc/32/75/21/790327521.db2.gz UXOBNAWBXZCALD-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001183428138 790326857 /nfs/dbraw/zinc/32/68/57/790326857.db2.gz UZPZTNRBAPIAMI-SNVBAGLBSA-N 1 0 339.396 -1.323 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183436171 790327087 /nfs/dbraw/zinc/32/70/87/790327087.db2.gz JQMWLAWUNFRZOV-GHMZBOCLSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183436172 790328159 /nfs/dbraw/zinc/32/81/59/790328159.db2.gz JQMWLAWUNFRZOV-MNOVXSKESA-N 1 0 332.426 -1.748 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183436210 790326983 /nfs/dbraw/zinc/32/69/83/790326983.db2.gz KTVXIWQJJGWCRF-KGLIPLIRSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183436211 790327492 /nfs/dbraw/zinc/32/74/92/790327492.db2.gz KTVXIWQJJGWCRF-ZIAGYGMSSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001183436245 790327765 /nfs/dbraw/zinc/32/77/65/790327765.db2.gz MHYHJZAUAQPLSP-NWDGAFQWSA-N 1 0 340.424 -1.159 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001183436246 790326999 /nfs/dbraw/zinc/32/69/99/790326999.db2.gz MHYHJZAUAQPLSP-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1)S(C)(=O)=O ZINC001183436602 790327175 /nfs/dbraw/zinc/32/71/75/790327175.db2.gz ONTUOTXCJIGJOV-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1)S(C)(=O)=O ZINC001183436604 790327727 /nfs/dbraw/zinc/32/77/27/790327727.db2.gz ONTUOTXCJIGJOV-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183436609 790328275 /nfs/dbraw/zinc/32/82/75/790328275.db2.gz OSONNENDTSHLDS-DTWKUNHWSA-N 1 0 327.385 -1.468 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183436611 790327811 /nfs/dbraw/zinc/32/78/11/790327811.db2.gz OSONNENDTSHLDS-RKDXNWHRSA-N 1 0 327.385 -1.468 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183436853 790327129 /nfs/dbraw/zinc/32/71/29/790327129.db2.gz RMSHZOLOODATRL-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183436854 790326600 /nfs/dbraw/zinc/32/66/00/790326600.db2.gz RMSHZOLOODATRL-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183437531 790328023 /nfs/dbraw/zinc/32/80/23/790328023.db2.gz XCPPSBSERARNJF-SNVBAGLBSA-N 1 0 334.442 -1.372 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001183448543 790327548 /nfs/dbraw/zinc/32/75/48/790327548.db2.gz AQCONXXQPOFYBM-GBIKHYSHSA-N 1 0 334.442 -1.516 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1 ZINC001183448545 790328478 /nfs/dbraw/zinc/32/84/78/790328478.db2.gz AQCONXXQPOFYBM-GIPNMCIBSA-N 1 0 334.442 -1.516 20 0 EAADRO CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001183448756 790328383 /nfs/dbraw/zinc/32/83/83/790328383.db2.gz ISODYTKYRTXCDJ-BXUZGUMPSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001183448993 790328525 /nfs/dbraw/zinc/32/85/25/790328525.db2.gz NLEXYXVFZPDHGN-JTNHKYCSSA-N 1 0 348.469 -1.256 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001183448995 790326971 /nfs/dbraw/zinc/32/69/71/790326971.db2.gz NLEXYXVFZPDHGN-UHIISALHSA-N 1 0 348.469 -1.256 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001183449068 790327161 /nfs/dbraw/zinc/32/71/61/790327161.db2.gz PTOGDCIMWFUBKI-ZWNOBZJWSA-N 1 0 334.442 -1.644 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001183449290 790328609 /nfs/dbraw/zinc/32/86/09/790328609.db2.gz USZHQTULBFPJNO-JTNHKYCSSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001183449291 790328621 /nfs/dbraw/zinc/32/86/21/790328621.db2.gz USZHQTULBFPJNO-UHIISALHSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)C)C1 ZINC001183449329 790327297 /nfs/dbraw/zinc/32/72/97/790327297.db2.gz XLAZENCEOONJGY-BXUZGUMPSA-N 1 0 348.469 -1.302 20 0 EAADRO CC[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001183449330 790326662 /nfs/dbraw/zinc/32/66/62/790326662.db2.gz XMNXKXPDZDYDOR-JTNHKYCSSA-N 1 0 348.469 -1.126 20 0 EAADRO CC[C@H]([NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001183449331 790327685 /nfs/dbraw/zinc/32/76/85/790327685.db2.gz XMNXKXPDZDYDOR-UHIISALHSA-N 1 0 348.469 -1.126 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183449660 790328218 /nfs/dbraw/zinc/32/82/18/790328218.db2.gz CLFOWPOXDQDWHY-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183449661 790328548 /nfs/dbraw/zinc/32/85/48/790328548.db2.gz CLFOWPOXDQDWHY-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183449680 790327500 /nfs/dbraw/zinc/32/75/00/790327500.db2.gz DHTKBESXQOUHGW-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183449681 790326886 /nfs/dbraw/zinc/32/68/86/790326886.db2.gz DHTKBESXQOUHGW-MNOVXSKESA-N 1 0 339.396 -1.451 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183450288 790327208 /nfs/dbraw/zinc/32/72/08/790327208.db2.gz MUNMSCDCKZORSW-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183450289 790327269 /nfs/dbraw/zinc/32/72/69/790327269.db2.gz MUNMSCDCKZORSW-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183450746 790327925 /nfs/dbraw/zinc/32/79/25/790327925.db2.gz YKBZYZPZRBVGGY-NXEZZACHSA-N 1 0 325.369 -1.841 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183450747 790328345 /nfs/dbraw/zinc/32/83/45/790328345.db2.gz YKBZYZPZRBVGGY-ZJUUUORDSA-N 1 0 325.369 -1.841 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(C)cc2=O)C1 ZINC001183456951 790327706 /nfs/dbraw/zinc/32/77/06/790327706.db2.gz FTTQDPOQKZNBHN-LLVKDONJSA-N 1 0 349.391 -1.047 20 0 EAADRO Cc1cc(=O)c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cn1C ZINC001183457350 790327829 /nfs/dbraw/zinc/32/78/29/790327829.db2.gz MNBHSVBMHWXUSF-SNVBAGLBSA-N 1 0 335.364 -1.307 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183465027 790326752 /nfs/dbraw/zinc/32/67/52/790326752.db2.gz KJAURMKSJMCDBJ-AXAPSJFSSA-N 1 0 340.424 -1.207 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183465028 790326841 /nfs/dbraw/zinc/32/68/41/790326841.db2.gz KJAURMKSJMCDBJ-PVXIVEMSSA-N 1 0 340.424 -1.207 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001183465114 790328182 /nfs/dbraw/zinc/32/81/82/790328182.db2.gz DDLWNXGVFYWQFW-LLVKDONJSA-N 1 0 343.409 -1.074 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001183465215 790327633 /nfs/dbraw/zinc/32/76/33/790327633.db2.gz GAQHZDLZNTXYJG-SNVBAGLBSA-N 1 0 336.352 -1.168 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183465274 790328046 /nfs/dbraw/zinc/32/80/46/790328046.db2.gz HEBOTLGETSHFKL-SECBINFHSA-N 1 0 331.398 -1.223 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001183465397 790327582 /nfs/dbraw/zinc/32/75/82/790327582.db2.gz ISOALLXGKGIPCR-SNVBAGLBSA-N 1 0 329.382 -1.465 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1)S(C)(=O)=O ZINC001183465957 790327956 /nfs/dbraw/zinc/32/79/56/790327956.db2.gz SFEUHFBVTHMVAX-LLVKDONJSA-N 1 0 343.409 -1.122 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001183465963 790326804 /nfs/dbraw/zinc/32/68/04/790326804.db2.gz SOZOHXQRBSPYSC-LLVKDONJSA-N 1 0 348.363 -1.072 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1)NC(=O)NC1CC1 ZINC001183465965 790327610 /nfs/dbraw/zinc/32/76/10/790327610.db2.gz SQOCBKLBBJCTNI-LLVKDONJSA-N 1 0 348.363 -1.026 20 0 EAADRO O=C(c1cn[nH]c(=O)c1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001183466295 790328205 /nfs/dbraw/zinc/32/82/05/790328205.db2.gz YHRPBLFKEJCOGF-OLZOCXBDSA-N 1 0 349.391 -1.030 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001183466320 790327658 /nfs/dbraw/zinc/32/76/58/790327658.db2.gz ZMSZFPVZLZMTNP-PSASIEDQSA-N 1 0 336.352 -1.170 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001183466321 790330422 /nfs/dbraw/zinc/33/04/22/790330422.db2.gz ZMSZFPVZLZMTNP-WCBMZHEXSA-N 1 0 336.352 -1.170 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183481026 790329984 /nfs/dbraw/zinc/32/99/84/790329984.db2.gz CXBCBBKEILLSKE-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183481084 790330706 /nfs/dbraw/zinc/33/07/06/790330706.db2.gz DISNHBRRTCNMDK-HZSPNIEDSA-N 1 0 343.424 -1.131 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183481117 790329643 /nfs/dbraw/zinc/32/96/43/790329643.db2.gz DISNHBRRTCNMDK-MGPQQGTHSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)S(C)(=O)=O ZINC001183481157 790329764 /nfs/dbraw/zinc/32/97/64/790329764.db2.gz FASSKHZEUKNJQN-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183482255 790330859 /nfs/dbraw/zinc/33/08/59/790330859.db2.gz LXEQSHLDDPWBGU-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183482287 790330733 /nfs/dbraw/zinc/33/07/33/790330733.db2.gz MONPMGQZFSAZGX-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183482957 790329666 /nfs/dbraw/zinc/32/96/66/790329666.db2.gz WPWZDLKBODZVAH-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183483047 790330230 /nfs/dbraw/zinc/33/02/30/790330230.db2.gz YEONTJRZRFYTTF-ZIAGYGMSSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183489244 790327333 /nfs/dbraw/zinc/32/73/33/790327333.db2.gz SUILCCWNFFMQKN-BXUZGUMPSA-N 1 0 348.469 -1.173 20 0 EAADRO CN1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1=O ZINC001183495636 790330880 /nfs/dbraw/zinc/33/08/80/790330880.db2.gz BYQGGZWIICMJSK-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1=O ZINC001183495637 790330099 /nfs/dbraw/zinc/33/00/99/790330099.db2.gz BYQGGZWIICMJSK-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183495645 790330247 /nfs/dbraw/zinc/33/02/47/790330247.db2.gz CDBXDMLDYMDYCW-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183495652 790328876 /nfs/dbraw/zinc/32/88/76/790328876.db2.gz CIGSEWSOCCGKHV-GMTAPVOTSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183495653 790329873 /nfs/dbraw/zinc/32/98/73/790329873.db2.gz CIGSEWSOCCGKHV-HBNTYKKESA-N 1 0 339.396 -1.310 20 0 EAADRO CN1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001183495849 790329825 /nfs/dbraw/zinc/32/98/25/790329825.db2.gz GSMBEWLEIWZJMF-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO CN1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001183495850 790330948 /nfs/dbraw/zinc/33/09/48/790330948.db2.gz GSMBEWLEIWZJMF-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)C(=O)NC(N)=O ZINC001183495856 790329278 /nfs/dbraw/zinc/32/92/78/790329278.db2.gz GXJPMVIUIUOWFL-IVZWLZJFSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)C(=O)NC(N)=O ZINC001183495857 790330345 /nfs/dbraw/zinc/33/03/45/790330345.db2.gz GXJPMVIUIUOWFL-OPRDCNLKSA-N 1 0 325.369 -1.571 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183497312 790330540 /nfs/dbraw/zinc/33/05/40/790330540.db2.gz WPMVVMIFQPQVFB-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@@]1(C)C[NH2+]CCO ZINC001183497355 790330567 /nfs/dbraw/zinc/33/05/67/790330567.db2.gz ZIAPTFJWVRYBFN-IUODEOHRSA-N 1 0 338.412 -1.539 20 0 EAADRO Cn1ccnc1COCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001183507554 790328848 /nfs/dbraw/zinc/32/88/48/790328848.db2.gz FBBKQQTUNWMPAP-NEPJUHHUSA-N 1 0 349.391 -1.068 20 0 EAADRO Cn1ccnc1COCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001183507558 790329344 /nfs/dbraw/zinc/32/93/44/790329344.db2.gz FBBKQQTUNWMPAP-VXGBXAGGSA-N 1 0 349.391 -1.068 20 0 EAADRO COCCn1nccc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183508258 790330318 /nfs/dbraw/zinc/33/03/18/790330318.db2.gz NEKBFBOLANPZFK-SNVBAGLBSA-N 1 0 338.368 -1.472 20 0 EAADRO Cn1ccnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183508667 790329115 /nfs/dbraw/zinc/32/91/15/790329115.db2.gz UFJXAPDEXCJMLT-SNVBAGLBSA-N 1 0 338.368 -1.678 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001183516259 790329407 /nfs/dbraw/zinc/32/94/07/790329407.db2.gz GEMCFQZGNUZRGO-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001183516260 790329615 /nfs/dbraw/zinc/32/96/15/790329615.db2.gz GEMCFQZGNUZRGO-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@]1(C)C[NH2+]CCCO ZINC001183516978 790330447 /nfs/dbraw/zinc/33/04/47/790330447.db2.gz ITTSONOKESRUNS-IAQYHMDHSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183517074 790329321 /nfs/dbraw/zinc/32/93/21/790329321.db2.gz NLEDRFHVOHCKPE-YMTOWFKASA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001183517192 790330369 /nfs/dbraw/zinc/33/03/69/790330369.db2.gz UFRGYFSDRHBFDC-JRPNMDOOSA-N 1 0 338.412 -1.168 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001183517193 790328832 /nfs/dbraw/zinc/32/88/32/790328832.db2.gz UFRGYFSDRHBFDC-UEKVPHQBSA-N 1 0 338.412 -1.168 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001183521389 790330299 /nfs/dbraw/zinc/33/02/99/790330299.db2.gz AJECPNZEAQLGBF-SECBINFHSA-N 1 0 336.352 -1.168 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001183521412 790329466 /nfs/dbraw/zinc/32/94/66/790329466.db2.gz BNDWBTOXLQHMSH-DTWKUNHWSA-N 1 0 336.352 -1.170 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001183521413 790329189 /nfs/dbraw/zinc/32/91/89/790329189.db2.gz BNDWBTOXLQHMSH-RKDXNWHRSA-N 1 0 336.352 -1.170 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)NC(=O)NC1CC1 ZINC001183521530 790329214 /nfs/dbraw/zinc/32/92/14/790329214.db2.gz IWOGQJLUFZAFTA-SNVBAGLBSA-N 1 0 348.363 -1.026 20 0 EAADRO Cc1cnc2nc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)nn2c1 ZINC001183521598 790329787 /nfs/dbraw/zinc/32/97/87/790329787.db2.gz MOQUUBAWEMXCEA-SECBINFHSA-N 1 0 346.351 -1.568 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001183521606 790329144 /nfs/dbraw/zinc/32/91/44/790329144.db2.gz MUPMKFSSRCHZTB-SNVBAGLBSA-N 1 0 348.363 -1.072 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)S(C)(=O)=O ZINC001183521611 790329572 /nfs/dbraw/zinc/32/95/72/790329572.db2.gz MYIFPMIBLBHRQY-SNVBAGLBSA-N 1 0 343.409 -1.122 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001183521689 790330147 /nfs/dbraw/zinc/33/01/47/790330147.db2.gz RCAXVZUUUHQIAD-SNVBAGLBSA-N 1 0 343.409 -1.074 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001183521810 790329512 /nfs/dbraw/zinc/32/95/12/790329512.db2.gz XGUXSBSGVVTXML-SECBINFHSA-N 1 0 329.382 -1.465 20 0 EAADRO O=C(c1cnc[nH]c1=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001183521848 790329849 /nfs/dbraw/zinc/32/98/49/790329849.db2.gz YRIIGPANAOBEKO-NEPJUHHUSA-N 1 0 349.391 -1.030 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n[nH]cc3c2)C1 ZINC001183527183 790330004 /nfs/dbraw/zinc/33/00/04/790330004.db2.gz USWAFMIVLMYEFW-SNVBAGLBSA-N 1 0 331.336 -1.043 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c(=O)[nH]c1C ZINC001183542965 790330614 /nfs/dbraw/zinc/33/06/14/790330614.db2.gz BQVLTMHKKZMHLS-SECBINFHSA-N 1 0 336.352 -1.614 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001183554244 790330477 /nfs/dbraw/zinc/33/04/77/790330477.db2.gz BGRFKICSFLZMLL-MRVPVSSYSA-N 1 0 331.336 -1.043 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)C23CCC[NH+]2CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183561730 790329306 /nfs/dbraw/zinc/32/93/06/790329306.db2.gz LZOIUVPWHWZOST-MQLXINIDSA-N 1 0 344.408 -1.425 20 0 EAADRO Cc1cc(COCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001183562875 790329553 /nfs/dbraw/zinc/32/95/53/790329553.db2.gz SZXJITQBOHNOGG-SNVBAGLBSA-N 1 0 339.352 -1.115 20 0 EAADRO Cc1cc(COCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)on1 ZINC001183568804 790329367 /nfs/dbraw/zinc/32/93/67/790329367.db2.gz JNYRBWQXTNPUFS-SNVBAGLBSA-N 1 0 339.352 -1.115 20 0 EAADRO Cn1nccc1COCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001183568809 790330783 /nfs/dbraw/zinc/33/07/83/790330783.db2.gz JUXRETHXSDDDGT-DGCLKSJQSA-N 1 0 349.391 -1.068 20 0 EAADRO Cn1nccc1COCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001183568810 790329934 /nfs/dbraw/zinc/32/99/34/790329934.db2.gz JUXRETHXSDDDGT-YPMHNXCESA-N 1 0 349.391 -1.068 20 0 EAADRO Cn1nccc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183568865 790329599 /nfs/dbraw/zinc/32/95/99/790329599.db2.gz KZCBPPYSRWMGCP-SNVBAGLBSA-N 1 0 338.368 -1.678 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183576284 790332538 /nfs/dbraw/zinc/33/25/38/790332538.db2.gz KADIDDHTSHUAAP-IJLUTSLNSA-N 1 0 341.412 -1.648 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)O1 ZINC001183577052 790332844 /nfs/dbraw/zinc/33/28/44/790332844.db2.gz WGGIYCOAOVTNDI-JHJVBQTASA-N 1 0 333.454 -1.059 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001183577093 790332021 /nfs/dbraw/zinc/33/20/21/790332021.db2.gz YSZMBTFIPRSVQK-GMTAPVOTSA-N 1 0 327.385 -1.909 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001183581877 790331741 /nfs/dbraw/zinc/33/17/41/790331741.db2.gz NTGBHXHAPKXOIW-JHJVBQTASA-N 1 0 348.469 -1.555 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183584713 790331553 /nfs/dbraw/zinc/33/15/53/790331553.db2.gz SVRRHOAAQIZEBZ-MEBBXXQBSA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC(=O)C1 ZINC001183590359 790332974 /nfs/dbraw/zinc/33/29/74/790332974.db2.gz CCFZWWMACTWXAG-OTYXRUKQSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC(=O)C1 ZINC001183590361 790331481 /nfs/dbraw/zinc/33/14/81/790331481.db2.gz CCFZWWMACTWXAG-YMTOWFKASA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001183590849 790331844 /nfs/dbraw/zinc/33/18/44/790331844.db2.gz FNUPEXNAEXWORE-BMIGLBTASA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001183590853 790331390 /nfs/dbraw/zinc/33/13/90/790331390.db2.gz FNUPEXNAEXWORE-MEBBXXQBSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCNC(=O)C1 ZINC001183592807 790333147 /nfs/dbraw/zinc/33/31/47/790333147.db2.gz RZGHSTXEGUNMRI-BXUZGUMPSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCNC(=O)C1 ZINC001183592809 790332751 /nfs/dbraw/zinc/33/27/51/790332751.db2.gz RZGHSTXEGUNMRI-RISCZKNCSA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001183609974 790333104 /nfs/dbraw/zinc/33/31/04/790333104.db2.gz ATUUQABHFGZURM-LLVKDONJSA-N 1 0 329.422 -1.252 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 ZINC001183622399 790332731 /nfs/dbraw/zinc/33/27/31/790332731.db2.gz XLNCZEVJWCDYON-SECBINFHSA-N 1 0 336.352 -1.588 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001183629414 790331161 /nfs/dbraw/zinc/33/11/61/790331161.db2.gz LWNFITPFTABGMB-SNVBAGLBSA-N 1 0 348.363 -1.892 20 0 EAADRO NC(=O)c1ccc(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)cn1 ZINC001183629881 790331194 /nfs/dbraw/zinc/33/11/94/790331194.db2.gz SNQLBQRFWBBAOP-CYBMUJFWSA-N 1 0 336.392 -1.078 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001183630197 790331629 /nfs/dbraw/zinc/33/16/29/790331629.db2.gz YFXDRDIHOXGOEO-CHWSQXEVSA-N 1 0 336.392 -1.079 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001183630202 790332827 /nfs/dbraw/zinc/33/28/27/790332827.db2.gz YFXDRDIHOXGOEO-OLZOCXBDSA-N 1 0 336.392 -1.079 20 0 EAADRO COCC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC001183639274 790331145 /nfs/dbraw/zinc/33/11/45/790331145.db2.gz MERJVHJRKHNWHJ-CHWSQXEVSA-N 1 0 340.424 -1.335 20 0 EAADRO COCC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC001183639298 790331982 /nfs/dbraw/zinc/33/19/82/790331982.db2.gz MERJVHJRKHNWHJ-OLZOCXBDSA-N 1 0 340.424 -1.335 20 0 EAADRO COCC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001183639299 790331258 /nfs/dbraw/zinc/33/12/58/790331258.db2.gz MERJVHJRKHNWHJ-QWHCGFSZSA-N 1 0 340.424 -1.335 20 0 EAADRO COCC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001183639300 790331414 /nfs/dbraw/zinc/33/14/14/790331414.db2.gz MERJVHJRKHNWHJ-STQMWFEESA-N 1 0 340.424 -1.335 20 0 EAADRO Cn1nnc2cc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)ccc21 ZINC001183639483 790333194 /nfs/dbraw/zinc/33/31/94/790333194.db2.gz PWGVQXROXONOSU-SNVBAGLBSA-N 1 0 345.363 -1.033 20 0 EAADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)S(C)(=O)=O ZINC001183656348 790334477 /nfs/dbraw/zinc/33/44/77/790334477.db2.gz BOWOIPOYCBLWFI-NXEZZACHSA-N 1 0 326.440 -1.345 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)S(C)(=O)=O ZINC001183656349 790335138 /nfs/dbraw/zinc/33/51/38/790335138.db2.gz BOWOIPOYCBLWFI-VHSXEESVSA-N 1 0 326.440 -1.345 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001183656360 790334527 /nfs/dbraw/zinc/33/45/27/790334527.db2.gz CBODLFNPRPSHHT-NXEZZACHSA-N 1 0 348.425 -1.544 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001183656363 790335568 /nfs/dbraw/zinc/33/55/68/790335568.db2.gz CBODLFNPRPSHHT-VHSXEESVSA-N 1 0 348.425 -1.544 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001183656377 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GKJMODJETKCZAY-RKDXNWHRSA-N 1 0 334.398 -1.934 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001183657477 790335110 /nfs/dbraw/zinc/33/51/10/790335110.db2.gz PCIXHBIWDCQGRF-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001183657478 790333909 /nfs/dbraw/zinc/33/39/09/790333909.db2.gz PCIXHBIWDCQGRF-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183660138 790335165 /nfs/dbraw/zinc/33/51/65/790335165.db2.gz RHIIQRLDOODOGM-SECBINFHSA-N 1 0 328.300 -1.596 20 0 EAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183660139 790335474 /nfs/dbraw/zinc/33/54/74/790335474.db2.gz RHIIQRLDOODOGM-VIFPVBQESA-N 1 0 328.300 -1.596 20 0 EAADRO CC1(C(=O)NCCN(CC[NH3+])N(O)N=O)CCS(=O)(=O)CC1 ZINC001183664490 790335317 /nfs/dbraw/zinc/33/53/17/790335317.db2.gz RTSJMWJKBBDCIT-UHFFFAOYSA-N 1 0 337.402 -1.134 20 0 EAADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)O1 ZINC001183664637 790334583 /nfs/dbraw/zinc/33/45/83/790334583.db2.gz PVLNPXQYFBYXBE-BREBYQMCSA-N 1 0 344.343 -1.071 20 0 EAADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)O1 ZINC001183664641 790333620 /nfs/dbraw/zinc/33/36/20/790333620.db2.gz PVLNPXQYFBYXBE-GIPNMCIBSA-N 1 0 344.343 -1.071 20 0 EAADRO [NH3+]CCN(CCNC(=O)Cn1cc(F)c(=O)[nH]c1=O)N(O)N=O ZINC001183665406 790331441 /nfs/dbraw/zinc/33/14/41/790331441.db2.gz ZFFQHCYFIKDCLG-UHFFFAOYSA-N 1 0 333.280 -2.248 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001183675634 790331315 /nfs/dbraw/zinc/33/13/15/790331315.db2.gz BFCYNNUCGMBDPX-NXEZZACHSA-N 1 0 331.394 -1.583 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001183675683 790333230 /nfs/dbraw/zinc/33/32/30/790333230.db2.gz BFCYNNUCGMBDPX-ZJUUUORDSA-N 1 0 331.394 -1.583 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183675791 790332357 /nfs/dbraw/zinc/33/23/57/790332357.db2.gz BTLNCEDKAZTFBW-SECBINFHSA-N 1 0 334.398 -1.933 20 0 EAADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)S(C)(=O)=O ZINC001183675798 790332587 /nfs/dbraw/zinc/33/25/87/790332587.db2.gz CHBZYNDKVOZWIA-NXEZZACHSA-N 1 0 341.455 -1.841 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)S(C)(=O)=O ZINC001183675801 790331612 /nfs/dbraw/zinc/33/16/12/790331612.db2.gz CHBZYNDKVOZWIA-VHSXEESVSA-N 1 0 341.455 -1.841 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001183676365 790332442 /nfs/dbraw/zinc/33/24/42/790332442.db2.gz ITQBZMUGMWJAJI-GFCCVEGCSA-N 1 0 347.437 -1.530 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183676637 790332158 /nfs/dbraw/zinc/33/21/58/790332158.db2.gz JJDCZUYQQGJVOP-SNVBAGLBSA-N 1 0 326.440 -1.344 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183676832 790331362 /nfs/dbraw/zinc/33/13/62/790331362.db2.gz KPTXMXQUJQRSHF-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183678026 790331931 /nfs/dbraw/zinc/33/19/31/790331931.db2.gz VDSWXWKSANOJIX-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C ZINC001183678281 790331950 /nfs/dbraw/zinc/33/19/50/790331950.db2.gz NFVVEXQDJCJENZ-GLKRBJQHSA-N 1 0 338.408 -1.141 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183678289 790331715 /nfs/dbraw/zinc/33/17/15/790331715.db2.gz XVBBXYRJAIXFHE-SNVBAGLBSA-N 1 0 348.425 -1.543 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C ZINC001183678643 790331883 /nfs/dbraw/zinc/33/18/83/790331883.db2.gz NFVVEXQDJCJENZ-OHUAYANFSA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001183683119 790332516 /nfs/dbraw/zinc/33/25/16/790332516.db2.gz HJZQZSBFKQDFQC-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001183683124 790331343 /nfs/dbraw/zinc/33/13/43/790331343.db2.gz HJZQZSBFKQDFQC-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1=O ZINC001183683482 790332076 /nfs/dbraw/zinc/33/20/76/790332076.db2.gz JVZQPTDUCXVLJZ-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1=O ZINC001183683483 790332683 /nfs/dbraw/zinc/33/26/83/790332683.db2.gz JVZQPTDUCXVLJZ-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C(N)=O)c2)C1 ZINC001183683504 790332782 /nfs/dbraw/zinc/33/27/82/790332782.db2.gz KLBNDIKSPWXFIA-LLVKDONJSA-N 1 0 333.348 -1.216 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001183684529 790332464 /nfs/dbraw/zinc/33/24/64/790332464.db2.gz UFEZOILVPBLFCN-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001183684530 790331963 /nfs/dbraw/zinc/33/19/63/790331963.db2.gz UFEZOILVPBLFCN-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001183684890 790331112 /nfs/dbraw/zinc/33/11/12/790331112.db2.gz XFELASIHVZURKY-LLVKDONJSA-N 1 0 335.364 -1.355 20 0 EAADRO CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183691036 790332340 /nfs/dbraw/zinc/33/23/40/790332340.db2.gz BLDCAIVVRCMHKZ-SNVBAGLBSA-N 1 0 348.425 -1.557 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183691150 790331649 /nfs/dbraw/zinc/33/16/49/790331649.db2.gz DNWVLYUEGCWQLT-NXEZZACHSA-N 1 0 348.425 -1.544 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183691152 790332651 /nfs/dbraw/zinc/33/26/51/790332651.db2.gz DNWVLYUEGCWQLT-VHSXEESVSA-N 1 0 348.425 -1.544 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183691162 790332241 /nfs/dbraw/zinc/33/22/41/790332241.db2.gz DUOVTNPSWCDACS-SNVBAGLBSA-N 1 0 341.455 -1.839 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001183691986 790332316 /nfs/dbraw/zinc/33/23/16/790332316.db2.gz NGGPBTDEAXZGQZ-SNVBAGLBSA-N 1 0 346.409 -1.837 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001183692003 790332612 /nfs/dbraw/zinc/33/26/12/790332612.db2.gz NZAYVJVYTVDSIH-CHWSQXEVSA-N 1 0 344.437 -1.131 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001183692004 790332381 /nfs/dbraw/zinc/33/23/81/790332381.db2.gz NZAYVJVYTVDSIH-OLZOCXBDSA-N 1 0 344.437 -1.131 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001183692033 790333320 /nfs/dbraw/zinc/33/33/20/790333320.db2.gz OFGIUKDSDHTQHM-LLVKDONJSA-N 1 0 332.426 -1.363 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001183692035 790332329 /nfs/dbraw/zinc/33/23/29/790332329.db2.gz OIHPTEVKHAOGMI-LLVKDONJSA-N 1 0 345.421 -1.239 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183692246 790332934 /nfs/dbraw/zinc/33/29/34/790332934.db2.gz SBCPVKZKCCAEML-CYBMUJFWSA-N 1 0 349.453 -1.236 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001183692531 790332137 /nfs/dbraw/zinc/33/21/37/790332137.db2.gz YZDSDRGWIPZWKD-DTWKUNHWSA-N 1 0 334.398 -1.805 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001183692537 790331667 /nfs/dbraw/zinc/33/16/67/790331667.db2.gz YZDSDRGWIPZWKD-RKDXNWHRSA-N 1 0 334.398 -1.805 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001183700176 790334230 /nfs/dbraw/zinc/33/42/30/790334230.db2.gz ABQMWHPFKDMPJF-GFCCVEGCSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001183700225 790333454 /nfs/dbraw/zinc/33/34/54/790333454.db2.gz BVMFEJGQAYWOAR-NEPJUHHUSA-N 1 0 338.426 -1.755 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001183700227 790333607 /nfs/dbraw/zinc/33/36/07/790333607.db2.gz BVMFEJGQAYWOAR-VXGBXAGGSA-N 1 0 338.426 -1.755 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001183700285 790334887 /nfs/dbraw/zinc/33/48/87/790334887.db2.gz CUTFBYHLSGCMJN-GFCCVEGCSA-N 1 0 349.453 -1.237 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183700338 790334861 /nfs/dbraw/zinc/33/48/61/790334861.db2.gz FMOPRANRBXZSBV-LLVKDONJSA-N 1 0 335.426 -1.626 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001183700513 790334546 /nfs/dbraw/zinc/33/45/46/790334546.db2.gz GTRNTCBZFVIWTE-GFCCVEGCSA-N 1 0 345.425 -1.470 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183700787 790334088 /nfs/dbraw/zinc/33/40/88/790334088.db2.gz MEMKBBDTGZNBES-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183700790 790333982 /nfs/dbraw/zinc/33/39/82/790333982.db2.gz MKDUSQAENFFSTB-GHMZBOCLSA-N 1 0 335.426 -1.627 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183700791 790334804 /nfs/dbraw/zinc/33/48/04/790334804.db2.gz MKDUSQAENFFSTB-WDEREUQCSA-N 1 0 335.426 -1.627 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001183700802 790333787 /nfs/dbraw/zinc/33/37/87/790333787.db2.gz MTDOYBXXRRQNOW-LLVKDONJSA-N 1 0 345.425 -1.433 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001183700810 790334671 /nfs/dbraw/zinc/33/46/71/790334671.db2.gz NGTGIZMRCCNFKG-NWDGAFQWSA-N 1 0 349.453 -1.285 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001183700811 790334109 /nfs/dbraw/zinc/33/41/09/790334109.db2.gz NGTGIZMRCCNFKG-VXGBXAGGSA-N 1 0 349.453 -1.285 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183700816 790334274 /nfs/dbraw/zinc/33/42/74/790334274.db2.gz NOADZFSQMFDPEM-GFCCVEGCSA-N 1 0 338.426 -1.753 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001183700843 790334950 /nfs/dbraw/zinc/33/49/50/790334950.db2.gz OZXUWMYMVOOHPM-CYBMUJFWSA-N 1 0 336.396 -1.674 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001183700863 790335593 /nfs/dbraw/zinc/33/55/93/790335593.db2.gz POPUJTMXRKDUQA-GHMZBOCLSA-N 1 0 333.410 -1.873 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001183700864 790334904 /nfs/dbraw/zinc/33/49/04/790334904.db2.gz POPUJTMXRKDUQA-MNOVXSKESA-N 1 0 333.410 -1.873 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001183700880 790333673 /nfs/dbraw/zinc/33/36/73/790333673.db2.gz PXMPPPZFTPEUCV-CYBMUJFWSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001183701123 790334928 /nfs/dbraw/zinc/33/49/28/790334928.db2.gz RXNSJOXLDIIMKY-LLVKDONJSA-N 1 0 335.426 -1.674 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001183701150 790335247 /nfs/dbraw/zinc/33/52/47/790335247.db2.gz SMIYCCWBXOOGIV-LLVKDONJSA-N 1 0 345.425 -1.135 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001183701153 790335343 /nfs/dbraw/zinc/33/53/43/790335343.db2.gz SPNILFUYJFPXBE-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001183701154 790333574 /nfs/dbraw/zinc/33/35/74/790333574.db2.gz SPNILFUYJFPXBE-VXGBXAGGSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001183701185 790334963 /nfs/dbraw/zinc/33/49/63/790334963.db2.gz VDYNFZZPWRTSHX-GFCCVEGCSA-N 1 0 347.437 -1.530 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1)C(N)=O ZINC001183701198 790334210 /nfs/dbraw/zinc/33/42/10/790334210.db2.gz VNIHKUDAWZGTID-GHMZBOCLSA-N 1 0 335.426 -1.498 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1)C(N)=O ZINC001183701199 790333838 /nfs/dbraw/zinc/33/38/38/790333838.db2.gz VNIHKUDAWZGTID-MNOVXSKESA-N 1 0 335.426 -1.498 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001183701229 790336091 /nfs/dbraw/zinc/33/60/91/790336091.db2.gz WRWLRFYNCANIBN-NEPJUHHUSA-N 1 0 347.437 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C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1)C(=O)NC(N)=O ZINC001183712378 790335951 /nfs/dbraw/zinc/33/59/51/790335951.db2.gz PNVHEKGWORIZMZ-MWLCHTKSSA-N 1 0 335.364 -1.227 20 0 EAADRO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3NC(=O)CNC3=O)nc2)CC1 ZINC001183713880 790336459 /nfs/dbraw/zinc/33/64/59/790336459.db2.gz BMJBEPRAGWPSJP-LBPRGKRZSA-N 1 0 346.391 -1.223 20 0 EAADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183719355 790336112 /nfs/dbraw/zinc/33/61/12/790336112.db2.gz SPNAUHJXZSQXEH-NEPJUHHUSA-N 1 0 348.407 -1.592 20 0 EAADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183719356 790337442 /nfs/dbraw/zinc/33/74/42/790337442.db2.gz SPNAUHJXZSQXEH-RYUDHWBXSA-N 1 0 348.407 -1.592 20 0 EAADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183719388 790337230 /nfs/dbraw/zinc/33/72/30/790337230.db2.gz USSBYHJVPPBQHT-RWMBFGLXSA-N 1 0 337.424 -1.772 20 0 EAADRO O=C(C[C@@H]1NC(=O)CNC1=O)N1CCN(CCc2ccccn2)CC1 ZINC001183719400 790336278 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CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](NCc2nccn2C)C1 ZINC001183720945 790336175 /nfs/dbraw/zinc/33/61/75/790336175.db2.gz BITJJJDMOBPJIL-GFCCVEGCSA-N 1 0 336.396 -1.637 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001183721026 790337494 /nfs/dbraw/zinc/33/74/94/790337494.db2.gz DPNICVNLUVZBCP-DGCLKSJQSA-N 1 0 328.413 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001183721028 790337468 /nfs/dbraw/zinc/33/74/68/790337468.db2.gz DPNICVNLUVZBCP-WCQYABFASA-N 1 0 328.413 -1.410 20 0 EAADRO CCOCCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183721034 790337688 /nfs/dbraw/zinc/33/76/88/790337688.db2.gz DWDWVFPMKFGXJP-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)co1 ZINC001183721069 790338402 /nfs/dbraw/zinc/33/84/02/790338402.db2.gz FPFLZZMPEJPPLA-LLVKDONJSA-N 1 0 347.393 -1.260 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001183721082 790338573 /nfs/dbraw/zinc/33/85/73/790338573.db2.gz FUYCQMSIQLZKHN-GFCCVEGCSA-N 1 0 336.396 -1.637 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001183721084 790339058 /nfs/dbraw/zinc/33/90/58/790339058.db2.gz FVCRYXKYTBFREQ-KGLIPLIRSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001183721085 790338225 /nfs/dbraw/zinc/33/82/25/790338225.db2.gz FVCRYXKYTBFREQ-ZIAGYGMSSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC001183721472 790338732 /nfs/dbraw/zinc/33/87/32/790338732.db2.gz HELNCMDSROEKIV-GFCCVEGCSA-N 1 0 337.380 -1.074 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001183721480 790338388 /nfs/dbraw/zinc/33/83/88/790338388.db2.gz HGWPIHJWGREFTH-CQSZACIVSA-N 1 0 340.424 -1.144 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001183721493 790338595 /nfs/dbraw/zinc/33/85/95/790338595.db2.gz HUWBLGPYUTUDJQ-GHMZBOCLSA-N 1 0 347.393 -1.262 20 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ZINC001183721543 790339076 /nfs/dbraw/zinc/33/90/76/790339076.db2.gz JJHNAHPHCMORMT-LLVKDONJSA-N 1 0 337.384 -2.242 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001183721618 790339282 /nfs/dbraw/zinc/33/92/82/790339282.db2.gz KFXLMICPIXQSGT-CYBMUJFWSA-N 1 0 348.407 -1.272 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001183721643 790338701 /nfs/dbraw/zinc/33/87/01/790338701.db2.gz KMDXUTHKTTUCCJ-UONOGXRCSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001183721646 790339669 /nfs/dbraw/zinc/33/96/69/790339669.db2.gz KMDXUTHKTTUCCJ-ZIAGYGMSSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2conc2C)C1 ZINC001183721702 790338480 /nfs/dbraw/zinc/33/84/80/790338480.db2.gz KSOPGDZWWNMFID-CYBMUJFWSA-N 1 0 337.380 -1.074 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001183721902 790338628 /nfs/dbraw/zinc/33/86/28/790338628.db2.gz LHAGUDRUROOMER-CYBMUJFWSA-N 1 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ZINC001183721954 790337912 /nfs/dbraw/zinc/33/79/12/790337912.db2.gz MWYYDFUCKFFZTH-ZYHUDNBSSA-N 1 0 341.412 -2.094 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183721965 790339356 /nfs/dbraw/zinc/33/93/56/790339356.db2.gz NHBXZMAAJMEMJG-GFCCVEGCSA-N 1 0 341.412 -2.045 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001183721970 790339458 /nfs/dbraw/zinc/33/94/58/790339458.db2.gz NJSNHINAEYAKFM-GFCCVEGCSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001183721997 790339508 /nfs/dbraw/zinc/33/95/08/790339508.db2.gz NSIMAVJBRQDVLS-LLVKDONJSA-N 1 0 327.385 -2.483 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001183722068 790340024 /nfs/dbraw/zinc/34/00/24/790340024.db2.gz ORTREUQMGAIBJK-SECBINFHSA-N 1 0 330.366 -1.523 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC001183722149 790339800 /nfs/dbraw/zinc/33/98/00/790339800.db2.gz PWMGUTNGWAIMCL-DGCLKSJQSA-N 1 0 348.407 -1.020 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC001183722150 790338026 /nfs/dbraw/zinc/33/80/26/790338026.db2.gz PWMGUTNGWAIMCL-WCQYABFASA-N 1 0 348.407 -1.020 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1)OC ZINC001183722153 790339908 /nfs/dbraw/zinc/33/99/08/790339908.db2.gz QJVMOJDHSWBMTL-CHWSQXEVSA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1)OC ZINC001183722164 790337889 /nfs/dbraw/zinc/33/78/89/790337889.db2.gz QJVMOJDHSWBMTL-OLZOCXBDSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001183722345 790338661 /nfs/dbraw/zinc/33/86/61/790338661.db2.gz QROUJBDTJOSDOX-GHMZBOCLSA-N 1 0 325.369 -2.682 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001183722351 790338456 /nfs/dbraw/zinc/33/84/56/790338456.db2.gz QROUJBDTJOSDOX-MNOVXSKESA-N 1 0 325.369 -2.682 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001183722352 790339303 /nfs/dbraw/zinc/33/93/03/790339303.db2.gz QWDONFXQEAQSSS-GFCCVEGCSA-N 1 0 339.396 -2.292 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722355 790338957 /nfs/dbraw/zinc/33/89/57/790338957.db2.gz RAJWTWDGSCXWAQ-GXSJLCMTSA-N 1 0 327.385 -2.436 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722357 790339243 /nfs/dbraw/zinc/33/92/43/790339243.db2.gz RAJWTWDGSCXWAQ-MWLCHTKSSA-N 1 0 327.385 -2.436 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001183722361 790339234 /nfs/dbraw/zinc/33/92/34/790339234.db2.gz REHOIRGXBRPQGA-SNVBAGLBSA-N 1 0 344.393 -1.181 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722395 790338510 /nfs/dbraw/zinc/33/85/10/790338510.db2.gz RTEMTFBTOUGIPE-CYBMUJFWSA-N 1 0 344.412 -1.908 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001183722400 790337974 /nfs/dbraw/zinc/33/79/74/790337974.db2.gz RYNQXFRLIMOFOE-CYBMUJFWSA-N 1 0 336.396 -1.637 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001183722485 790339794 /nfs/dbraw/zinc/33/97/94/790339794.db2.gz SLPHAULGIKNUAY-CQSZACIVSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001183722535 790338432 /nfs/dbraw/zinc/33/84/32/790338432.db2.gz UDAHNQBNBIKIJT-LLVKDONJSA-N 1 0 348.425 -2.526 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001183722555 790339825 /nfs/dbraw/zinc/33/98/25/790339825.db2.gz UKKSFYWCIISEHP-GFCCVEGCSA-N 1 0 337.380 -1.074 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722562 790339128 /nfs/dbraw/zinc/33/91/28/790339128.db2.gz USBOPKBFCJFFMI-GFCCVEGCSA-N 1 0 341.412 -2.093 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1)C(N)=O ZINC001183722583 790339887 /nfs/dbraw/zinc/33/98/87/790339887.db2.gz VAEYFRWBMULWSP-GHMZBOCLSA-N 1 0 327.385 -2.307 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1)C(N)=O ZINC001183722586 790339723 /nfs/dbraw/zinc/33/97/23/790339723.db2.gz VAEYFRWBMULWSP-MNOVXSKESA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001183722620 790339271 /nfs/dbraw/zinc/33/92/71/790339271.db2.gz VSLMWMGXCLSLLA-GFCCVEGCSA-N 1 0 337.384 -2.279 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183722770 790338116 /nfs/dbraw/zinc/33/81/16/790338116.db2.gz WNAPBSHTAMWXQF-SECBINFHSA-N 1 0 342.356 -3.376 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001183722821 790338617 /nfs/dbraw/zinc/33/86/17/790338617.db2.gz XOIKQTGENXRDTA-SNVBAGLBSA-N 1 0 344.393 -1.133 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC001183722893 790339033 /nfs/dbraw/zinc/33/90/33/790339033.db2.gz YHSXZYHOHWHJLW-GFCCVEGCSA-N 1 0 337.380 -1.074 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001183722895 790339848 /nfs/dbraw/zinc/33/98/48/790339848.db2.gz YIGUEDRUBKDOPH-CHWSQXEVSA-N 1 0 326.397 -1.534 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001183722897 790338071 /nfs/dbraw/zinc/33/80/71/790338071.db2.gz YIGUEDRUBKDOPH-QWHCGFSZSA-N 1 0 326.397 -1.534 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001183722933 790339938 /nfs/dbraw/zinc/33/99/38/790339938.db2.gz YTADAWBQKPVNNO-NEPJUHHUSA-N 1 0 339.396 -2.340 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001183722934 790339205 /nfs/dbraw/zinc/33/92/05/790339205.db2.gz YTADAWBQKPVNNO-VXGBXAGGSA-N 1 0 339.396 -2.340 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183722938 790338752 /nfs/dbraw/zinc/33/87/52/790338752.db2.gz YVOMCVIXZCWENV-GFCCVEGCSA-N 1 0 330.385 -2.562 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722956 790339535 /nfs/dbraw/zinc/33/95/35/790339535.db2.gz ZGBGKIBBWZNFFM-NEPJUHHUSA-N 1 0 330.385 -2.564 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722959 790339326 /nfs/dbraw/zinc/33/93/26/790339326.db2.gz ZGBGKIBBWZNFFM-VXGBXAGGSA-N 1 0 330.385 -2.564 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001183722971 790339754 /nfs/dbraw/zinc/33/97/54/790339754.db2.gz ZSUKRWMUAXJODP-UONOGXRCSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001183722972 790338604 /nfs/dbraw/zinc/33/86/04/790338604.db2.gz ZSUKRWMUAXJODP-ZIAGYGMSSA-N 1 0 340.424 -1.144 20 0 EAADRO [NH3+]CC1(N(Cc2ccccc2)C(=O)C[C@@H]2NC(=O)CNC2=O)COC1 ZINC001183726919 790339544 /nfs/dbraw/zinc/33/95/44/790339544.db2.gz LYAZTLLBCJBMCL-ZDUSSCGKSA-N 1 0 346.387 -1.252 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)CNC2=O)CC1 ZINC001183727732 790340300 /nfs/dbraw/zinc/34/03/00/790340300.db2.gz XOEWWOFMNVIQOU-LBPRGKRZSA-N 1 0 326.397 -1.392 20 0 EAADRO CCOC(=O)CC1([NH3+])CCN(C(=O)C[C@@H]2NC(=O)CNC2=O)CC1 ZINC001183728153 790341736 /nfs/dbraw/zinc/34/17/36/790341736.db2.gz BKOFYNLUCPPIEZ-JTQLQIEISA-N 1 0 340.380 -1.736 20 0 EAADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183728807 790341437 /nfs/dbraw/zinc/34/14/37/790341437.db2.gz JTNLFLMAZLDIOY-UWVGGRQHSA-N 1 0 337.336 -1.995 20 0 EAADRO CC(C)(O)CC[NH+]1CCN(C(=O)C[C@@H]2NC(=O)CNC2=O)CC1 ZINC001183729915 790341006 /nfs/dbraw/zinc/34/10/06/790341006.db2.gz VWODVHQWBOAFGE-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C[C@@H]2NC(=O)CNC2=O)CC1 ZINC001183730301 790341034 /nfs/dbraw/zinc/34/10/34/790341034.db2.gz YGYOMUUIQGWYQK-LBPRGKRZSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(C[C@@H]1NC(=O)CNC1=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001183730732 790340710 /nfs/dbraw/zinc/34/07/10/790340710.db2.gz HGLPGVZGONIUSZ-AVGNSLFASA-N 1 0 338.408 -1.249 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001183731744 790340507 /nfs/dbraw/zinc/34/05/07/790340507.db2.gz SKGWPAPMVIYEKS-GHMZBOCLSA-N 1 0 334.380 -1.169 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001183731745 790342545 /nfs/dbraw/zinc/34/25/45/790342545.db2.gz SKGWPAPMVIYEKS-WDEREUQCSA-N 1 0 334.380 -1.169 20 0 EAADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@@H]2NC(=O)CNC2=O)O1 ZINC001183732325 790343713 /nfs/dbraw/zinc/34/37/13/790343713.db2.gz WBIJZVDXFVRNNR-HGUJLJSRSA-N 1 0 328.369 -2.168 20 0 EAADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@@H]2NC(=O)CNC2=O)O1 ZINC001183732326 790342385 /nfs/dbraw/zinc/34/23/85/790342385.db2.gz WBIJZVDXFVRNNR-KSQLKPTDSA-N 1 0 328.369 -2.168 20 0 EAADRO COCc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183737202 790341984 /nfs/dbraw/zinc/34/19/84/790341984.db2.gz AWTLJMVAGNBYCM-SECBINFHSA-N 1 0 338.368 -1.435 20 0 EAADRO O=C([C@H]1CCC2N=NC(=O)N2C1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183737738 790342269 /nfs/dbraw/zinc/34/22/69/790342269.db2.gz FNUGPNLUDDCXBM-NWDGAFQWSA-N 1 0 339.396 -1.255 20 0 EAADRO O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183737741 790342489 /nfs/dbraw/zinc/34/24/89/790342489.db2.gz FNUGPNLUDDCXBM-VXGBXAGGSA-N 1 0 339.396 -1.255 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183737875 790343449 /nfs/dbraw/zinc/34/34/49/790343449.db2.gz HLSXYRHQFMAQFJ-GHMZBOCLSA-N 1 0 336.396 -1.175 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183737876 790341950 /nfs/dbraw/zinc/34/19/50/790341950.db2.gz HLSXYRHQFMAQFJ-WDEREUQCSA-N 1 0 336.396 -1.175 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183738676 790342744 /nfs/dbraw/zinc/34/27/44/790342744.db2.gz NHSGPXSVXRGXTH-IJLUTSLNSA-N 1 0 339.396 -1.256 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183738679 790342245 /nfs/dbraw/zinc/34/22/45/790342245.db2.gz NHSGPXSVXRGXTH-QJPTWQEYSA-N 1 0 339.396 -1.256 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183738683 790342345 /nfs/dbraw/zinc/34/23/45/790342345.db2.gz NHSGPXSVXRGXTH-TUAOUCFPSA-N 1 0 339.396 -1.256 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183738687 790342978 /nfs/dbraw/zinc/34/29/78/790342978.db2.gz NHSGPXSVXRGXTH-UTUOFQBUSA-N 1 0 339.396 -1.256 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183739447 790340741 /nfs/dbraw/zinc/34/07/41/790340741.db2.gz RLLAKHBGGFSBLA-GHMZBOCLSA-N 1 0 336.396 -1.127 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183739451 790343399 /nfs/dbraw/zinc/34/33/99/790343399.db2.gz RLLAKHBGGFSBLA-WDEREUQCSA-N 1 0 336.396 -1.127 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001183762513 790342915 /nfs/dbraw/zinc/34/29/15/790342915.db2.gz HFRSLWNHJCIQFB-CMPLNLGQSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001183762514 790342109 /nfs/dbraw/zinc/34/21/09/790342109.db2.gz HFRSLWNHJCIQFB-JQWIXIFHSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC001183762515 790343059 /nfs/dbraw/zinc/34/30/59/790343059.db2.gz HFRSLWNHJCIQFB-PWSUYJOCSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC001183762516 790342276 /nfs/dbraw/zinc/34/22/76/790342276.db2.gz HFRSLWNHJCIQFB-ZYHUDNBSSA-N 1 0 341.412 -1.348 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001183763397 790342359 /nfs/dbraw/zinc/34/23/59/790342359.db2.gz ORVOFZOKPOPNLE-GXSJLCMTSA-N 1 0 327.385 -1.608 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001183763400 790342410 /nfs/dbraw/zinc/34/24/10/790342410.db2.gz ORVOFZOKPOPNLE-KOLCDFICSA-N 1 0 327.385 -1.608 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001183763401 790343475 /nfs/dbraw/zinc/34/34/75/790343475.db2.gz ORVOFZOKPOPNLE-MWLCHTKSSA-N 1 0 327.385 -1.608 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001183763402 790342474 /nfs/dbraw/zinc/34/24/74/790342474.db2.gz ORVOFZOKPOPNLE-ONGXEEELSA-N 1 0 327.385 -1.608 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001183763411 790343350 /nfs/dbraw/zinc/34/33/50/790343350.db2.gz OTXWGGUPRZLLOS-AAEUAGOBSA-N 1 0 348.469 -1.254 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001183763412 790342227 /nfs/dbraw/zinc/34/22/27/790342227.db2.gz OTXWGGUPRZLLOS-DGCLKSJQSA-N 1 0 348.469 -1.254 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001183763413 790342375 /nfs/dbraw/zinc/34/23/75/790342375.db2.gz OTXWGGUPRZLLOS-WCQYABFASA-N 1 0 348.469 -1.254 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001183763414 790342877 /nfs/dbraw/zinc/34/28/77/790342877.db2.gz OTXWGGUPRZLLOS-YPMHNXCESA-N 1 0 348.469 -1.254 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001183781977 790342094 /nfs/dbraw/zinc/34/20/94/790342094.db2.gz APUNVMUQYUXNLX-CQSZACIVSA-N 1 0 342.440 -1.386 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001183782435 790342161 /nfs/dbraw/zinc/34/21/61/790342161.db2.gz JBCLYVYKBCNMGY-CHWSQXEVSA-N 1 0 328.413 -2.042 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001183782436 790342460 /nfs/dbraw/zinc/34/24/60/790342460.db2.gz JBCLYVYKBCNMGY-OLZOCXBDSA-N 1 0 328.413 -2.042 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1=O ZINC001183783148 790342778 /nfs/dbraw/zinc/34/27/78/790342778.db2.gz SKKBIJIYBQBJDM-CYBMUJFWSA-N 1 0 328.413 -2.040 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001183783486 790345698 /nfs/dbraw/zinc/34/56/98/790345698.db2.gz ZFZFISUCQVPZOV-SNVBAGLBSA-N 1 0 340.384 -2.854 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183792635 790345489 /nfs/dbraw/zinc/34/54/89/790345489.db2.gz ACZGYUSDZHXUFC-SNVBAGLBSA-N 1 0 346.409 -1.933 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)c1=O ZINC001183792655 790344167 /nfs/dbraw/zinc/34/41/67/790344167.db2.gz AZOHDBIXESVRBB-LLVKDONJSA-N 1 0 338.412 -1.313 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(=O)NC1CC1 ZINC001183792666 790344149 /nfs/dbraw/zinc/34/41/49/790344149.db2.gz BYMOMBLIWCWWKC-CMPLNLGQSA-N 1 0 336.396 -1.561 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(=O)NC1CC1 ZINC001183792667 790343941 /nfs/dbraw/zinc/34/39/41/790343941.db2.gz BYMOMBLIWCWWKC-ZYHUDNBSSA-N 1 0 336.396 -1.561 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183792705 790345233 /nfs/dbraw/zinc/34/52/33/790345233.db2.gz DEYRITNRKFKGOO-LLVKDONJSA-N 1 0 338.451 -1.344 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)c1=O ZINC001183792728 790345210 /nfs/dbraw/zinc/34/52/10/790345210.db2.gz DSPNXNQRMQGOOR-SNVBAGLBSA-N 1 0 349.351 -1.601 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793024 790344775 /nfs/dbraw/zinc/34/47/75/790344775.db2.gz DXDQIJWZYHKNCO-NWDGAFQWSA-N 1 0 338.412 -1.313 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793026 790345555 /nfs/dbraw/zinc/34/55/55/790345555.db2.gz DXDQIJWZYHKNCO-VXGBXAGGSA-N 1 0 338.412 -1.313 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793060 790343988 /nfs/dbraw/zinc/34/39/88/790343988.db2.gz FWXFKUYOMNBLGN-NWDGAFQWSA-N 1 0 338.412 -1.313 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793062 790345283 /nfs/dbraw/zinc/34/52/83/790345283.db2.gz FWXFKUYOMNBLGN-VXGBXAGGSA-N 1 0 338.412 -1.313 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1)NC1CC1 ZINC001183793085 790345250 /nfs/dbraw/zinc/34/52/50/790345250.db2.gz GOULIPSGNSJZGP-GFCCVEGCSA-N 1 0 329.422 -1.110 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)c1=O ZINC001183793262 790344856 /nfs/dbraw/zinc/34/48/56/790344856.db2.gz IWCZNEAYXXLCAZ-CHWSQXEVSA-N 1 0 349.395 -1.970 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)c1=O ZINC001183793267 790345381 /nfs/dbraw/zinc/34/53/81/790345381.db2.gz IWCZNEAYXXLCAZ-OLZOCXBDSA-N 1 0 349.395 -1.970 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C1CC1 ZINC001183793287 790344258 /nfs/dbraw/zinc/34/42/58/790344258.db2.gz JBSQCKSERAMINS-LLVKDONJSA-N 1 0 336.396 -1.607 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183793766 790346159 /nfs/dbraw/zinc/34/61/59/790346159.db2.gz NEEYNLNRYHBTJN-SECBINFHSA-N 1 0 332.382 -2.194 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)c1=O ZINC001183793770 790343973 /nfs/dbraw/zinc/34/39/73/790343973.db2.gz NKSKDVUIRUNBGI-GFCCVEGCSA-N 1 0 336.396 -1.702 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)c1=O ZINC001183793804 790344814 /nfs/dbraw/zinc/34/48/14/790344814.db2.gz OWKYTBFSGQUTET-LLVKDONJSA-N 1 0 345.425 -1.793 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793828 790345468 /nfs/dbraw/zinc/34/54/68/790345468.db2.gz QCGCCBVKRWOOLY-GFCCVEGCSA-N 1 0 338.412 -1.456 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)c1=O ZINC001183794039 790346109 /nfs/dbraw/zinc/34/61/09/790346109.db2.gz SUKYQXKYNRAOQR-SNVBAGLBSA-N 1 0 346.413 -2.679 20 0 EAADRO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001183794040 790344097 /nfs/dbraw/zinc/34/40/97/790344097.db2.gz SVOMJVCTDRXNAQ-NEPJUHHUSA-N 1 0 338.412 -1.184 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001183794041 790344230 /nfs/dbraw/zinc/34/42/30/790344230.db2.gz SVOMJVCTDRXNAQ-VXGBXAGGSA-N 1 0 338.412 -1.184 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794051 790345412 /nfs/dbraw/zinc/34/54/12/790345412.db2.gz TXQOGNYXIBMSHY-GFCCVEGCSA-N 1 0 338.412 -1.311 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(=O)NC(N)=O ZINC001183794054 790344654 /nfs/dbraw/zinc/34/46/54/790344654.db2.gz UJKYZGXQVKCJMD-DTWKUNHWSA-N 1 0 339.356 -2.644 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(=O)NC(N)=O ZINC001183794055 790346003 /nfs/dbraw/zinc/34/60/03/790346003.db2.gz UJKYZGXQVKCJMD-RKDXNWHRSA-N 1 0 339.356 -2.644 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794405 790344935 /nfs/dbraw/zinc/34/49/35/790344935.db2.gz WBNBNRCGTRCLNR-SECBINFHSA-N 1 0 339.356 -2.772 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)c1=O ZINC001183794418 790344916 /nfs/dbraw/zinc/34/49/16/790344916.db2.gz WWUHXCRCXLDBIU-GFCCVEGCSA-N 1 0 336.396 -1.702 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794423 790344397 /nfs/dbraw/zinc/34/43/97/790344397.db2.gz XFIMSKBDALVZKM-GFCCVEGCSA-N 1 0 338.412 -1.361 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1)C(=O)NC(N)=O ZINC001183794432 790344456 /nfs/dbraw/zinc/34/44/56/790344456.db2.gz XNAZPIJKUJTBHC-PSASIEDQSA-N 1 0 346.409 -1.805 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1)C(=O)NC(N)=O ZINC001183794433 790344310 /nfs/dbraw/zinc/34/43/10/790344310.db2.gz XNAZPIJKUJTBHC-WCBMZHEXSA-N 1 0 346.409 -1.805 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1=O ZINC001183794438 790345521 /nfs/dbraw/zinc/34/55/21/790345521.db2.gz XWFCMSPXIUUSKM-MRVPVSSYSA-N 1 0 325.329 -3.033 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794439 790344829 /nfs/dbraw/zinc/34/48/29/790344829.db2.gz XWPGULHNDGKYCF-GFCCVEGCSA-N 1 0 338.412 -1.359 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)c1=O ZINC001183794473 790344723 /nfs/dbraw/zinc/34/47/23/790344723.db2.gz ZCYAGJCIOBPRTK-SNVBAGLBSA-N 1 0 331.398 -2.183 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794485 790345180 /nfs/dbraw/zinc/34/51/80/790345180.db2.gz ZTTXEOGBHNTBBP-GFCCVEGCSA-N 1 0 327.385 -1.565 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001183806108 790345730 /nfs/dbraw/zinc/34/57/30/790345730.db2.gz GPSXWRINYISBIH-MRVPVSSYSA-N 1 0 347.335 -1.338 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001183821664 790344419 /nfs/dbraw/zinc/34/44/19/790344419.db2.gz CFPKLBVQDPXIDH-NXEZZACHSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001183821665 790344611 /nfs/dbraw/zinc/34/46/11/790344611.db2.gz CFPKLBVQDPXIDH-UWVGGRQHSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001183821666 790346128 /nfs/dbraw/zinc/34/61/28/790346128.db2.gz CFPKLBVQDPXIDH-VHSXEESVSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001183821667 790344567 /nfs/dbraw/zinc/34/45/67/790344567.db2.gz CFPKLBVQDPXIDH-ZJUUUORDSA-N 1 0 339.400 -1.649 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001183822138 790345630 /nfs/dbraw/zinc/34/56/30/790345630.db2.gz IAWBTKXDTGVCSN-GHMZBOCLSA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001183822141 790347220 /nfs/dbraw/zinc/34/72/20/790347220.db2.gz IAWBTKXDTGVCSN-MNOVXSKESA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001183822142 790348267 /nfs/dbraw/zinc/34/82/67/790348267.db2.gz IAWBTKXDTGVCSN-QWRGUYRKSA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001183822143 790347118 /nfs/dbraw/zinc/34/71/18/790347118.db2.gz IAWBTKXDTGVCSN-WDEREUQCSA-N 1 0 349.457 -1.722 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001183822903 790346355 /nfs/dbraw/zinc/34/63/55/790346355.db2.gz OUBIQDXAQHFXRK-NEPJUHHUSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001183822904 790346755 /nfs/dbraw/zinc/34/67/55/790346755.db2.gz OUBIQDXAQHFXRK-NWDGAFQWSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001183822905 790347732 /nfs/dbraw/zinc/34/77/32/790347732.db2.gz OUBIQDXAQHFXRK-RYUDHWBXSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001183822906 790347633 /nfs/dbraw/zinc/34/76/33/790347633.db2.gz OUBIQDXAQHFXRK-VXGBXAGGSA-N 1 0 340.428 -1.246 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001183823143 790346692 /nfs/dbraw/zinc/34/66/92/790346692.db2.gz QXNPJJONOYLKDE-GHMZBOCLSA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001183823144 790347394 /nfs/dbraw/zinc/34/73/94/790347394.db2.gz QXNPJJONOYLKDE-MNOVXSKESA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001183823145 790346974 /nfs/dbraw/zinc/34/69/74/790346974.db2.gz QXNPJJONOYLKDE-QWRGUYRKSA-N 1 0 334.442 -1.227 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001183823146 790346342 /nfs/dbraw/zinc/34/63/42/790346342.db2.gz QXNPJJONOYLKDE-WDEREUQCSA-N 1 0 334.442 -1.227 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C ZINC001183823907 790347719 /nfs/dbraw/zinc/34/77/19/790347719.db2.gz WDEAINUNSRZVBY-NXEZZACHSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001183823912 790346468 /nfs/dbraw/zinc/34/64/68/790346468.db2.gz WDEAINUNSRZVBY-UWVGGRQHSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001183823913 790347605 /nfs/dbraw/zinc/34/76/05/790347605.db2.gz WDEAINUNSRZVBY-VHSXEESVSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C ZINC001183823914 790347133 /nfs/dbraw/zinc/34/71/33/790347133.db2.gz WDEAINUNSRZVBY-ZJUUUORDSA-N 1 0 342.400 -1.816 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183824235 790346611 /nfs/dbraw/zinc/34/66/11/790346611.db2.gz XXQOKBPYECBGTL-BDAKNGLRSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183824239 790347089 /nfs/dbraw/zinc/34/70/89/790347089.db2.gz XXQOKBPYECBGTL-DTWKUNHWSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183824240 790346596 /nfs/dbraw/zinc/34/65/96/790346596.db2.gz XXQOKBPYECBGTL-IUCAKERBSA-N 1 0 328.373 -2.076 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183824241 790347979 /nfs/dbraw/zinc/34/79/79/790347979.db2.gz XXQOKBPYECBGTL-RKDXNWHRSA-N 1 0 328.373 -2.076 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183826012 790347430 /nfs/dbraw/zinc/34/74/30/790347430.db2.gz DODIMQZZHPELSI-CHWSQXEVSA-N 1 0 348.469 -1.553 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183826017 790347991 /nfs/dbraw/zinc/34/79/91/790347991.db2.gz DODIMQZZHPELSI-OLZOCXBDSA-N 1 0 348.469 -1.553 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001183826350 790348398 /nfs/dbraw/zinc/34/83/98/790348398.db2.gz JTSUETGPQQBZDZ-CHWSQXEVSA-N 1 0 333.454 -1.058 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001183826353 790346566 /nfs/dbraw/zinc/34/65/66/790346566.db2.gz JTSUETGPQQBZDZ-OLZOCXBDSA-N 1 0 333.454 -1.058 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183826692 790348422 /nfs/dbraw/zinc/34/84/22/790348422.db2.gz NKRSPVBZPWUYBO-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183826693 790348306 /nfs/dbraw/zinc/34/83/06/790348306.db2.gz NKRSPVBZPWUYBO-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183827038 790347031 /nfs/dbraw/zinc/34/70/31/790347031.db2.gz RICIHBKATWNGLB-GHMZBOCLSA-N 1 0 327.385 -1.908 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183827039 790348335 /nfs/dbraw/zinc/34/83/35/790348335.db2.gz RICIHBKATWNGLB-MNOVXSKESA-N 1 0 327.385 -1.908 20 0 EAADRO CN(C)Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001183834994 790345762 /nfs/dbraw/zinc/34/57/62/790345762.db2.gz JDJYLKQGNMWEJB-SECBINFHSA-N 1 0 338.368 -1.265 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CCF)c2)C1 ZINC001183845598 790346029 /nfs/dbraw/zinc/34/60/29/790346029.db2.gz QKBBUFXWXYYLNT-SNVBAGLBSA-N 1 0 326.332 -1.148 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001183845614 790344350 /nfs/dbraw/zinc/34/43/50/790344350.db2.gz RPPGPWCJIHDOSE-VQXHTEKXSA-N 1 0 339.396 -1.337 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CCOCCO ZINC001183848653 790345662 /nfs/dbraw/zinc/34/56/62/790345662.db2.gz ALEAIZVFVZJTRG-CHWSQXEVSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CCOCCO ZINC001183848662 790344381 /nfs/dbraw/zinc/34/43/81/790344381.db2.gz ALEAIZVFVZJTRG-OLZOCXBDSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CCOCCO ZINC001183848663 790346188 /nfs/dbraw/zinc/34/61/88/790346188.db2.gz ALEAIZVFVZJTRG-QWHCGFSZSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CCOCCO ZINC001183848665 790345165 /nfs/dbraw/zinc/34/51/65/790345165.db2.gz ALEAIZVFVZJTRG-STQMWFEESA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001183849019 790345197 /nfs/dbraw/zinc/34/51/97/790345197.db2.gz BVAUSXBBQLMPOJ-NEPJUHHUSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001183849020 790344595 /nfs/dbraw/zinc/34/45/95/790344595.db2.gz BVAUSXBBQLMPOJ-NWDGAFQWSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001183849021 790344987 /nfs/dbraw/zinc/34/49/87/790344987.db2.gz BVAUSXBBQLMPOJ-RYUDHWBXSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001183849022 790344765 /nfs/dbraw/zinc/34/47/65/790344765.db2.gz BVAUSXBBQLMPOJ-VXGBXAGGSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001183849227 790345042 /nfs/dbraw/zinc/34/50/42/790345042.db2.gz DLEDYRSAUQGAIS-CHWSQXEVSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001183849228 790345395 /nfs/dbraw/zinc/34/53/95/790345395.db2.gz DLEDYRSAUQGAIS-OLZOCXBDSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001183849229 790344486 /nfs/dbraw/zinc/34/44/86/790344486.db2.gz DLEDYRSAUQGAIS-QWHCGFSZSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001183849230 790345961 /nfs/dbraw/zinc/34/59/61/790345961.db2.gz DLEDYRSAUQGAIS-STQMWFEESA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183850331 790344710 /nfs/dbraw/zinc/34/47/10/790344710.db2.gz OMYCTVPVIHBSBO-NXEZZACHSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183850332 790345914 /nfs/dbraw/zinc/34/59/14/790345914.db2.gz OMYCTVPVIHBSBO-UWVGGRQHSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183850333 790344295 /nfs/dbraw/zinc/34/42/95/790344295.db2.gz OMYCTVPVIHBSBO-VHSXEESVSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001183850334 790344639 /nfs/dbraw/zinc/34/46/39/790344639.db2.gz OMYCTVPVIHBSBO-ZJUUUORDSA-N 1 0 338.372 -2.058 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1)N1CCOCC1 ZINC001183853429 790344024 /nfs/dbraw/zinc/34/40/24/790344024.db2.gz DMNRWOMCSXPBLM-SNVBAGLBSA-N 1 0 348.350 -1.583 20 0 EAADRO O=C(NCC(F)F)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001183853753 790345648 /nfs/dbraw/zinc/34/56/48/790345648.db2.gz FUUQKOFWDQGFJI-SECBINFHSA-N 1 0 333.339 -1.417 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001183853809 790344196 /nfs/dbraw/zinc/34/41/96/790344196.db2.gz IEBXUNAUAVKDNE-SSDOTTSWSA-N 1 0 335.311 -1.986 20 0 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COCCOCC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015383 790352476 /nfs/dbraw/zinc/35/24/76/790352476.db2.gz QOCVHTSOBOXFCG-GFCCVEGCSA-N 1 0 340.380 -1.198 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184015387 790352615 /nfs/dbraw/zinc/35/26/15/790352615.db2.gz QSFBDVMZOCCTKA-LLVKDONJSA-N 1 0 326.353 -1.852 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015464 790350989 /nfs/dbraw/zinc/35/09/89/790350989.db2.gz VUCUPKDVWBCJHV-GHMZBOCLSA-N 1 0 326.353 -1.853 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015465 790351428 /nfs/dbraw/zinc/35/14/28/790351428.db2.gz VUCUPKDVWBCJHV-MNOVXSKESA-N 1 0 326.353 -1.853 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001184015466 790352683 /nfs/dbraw/zinc/35/26/83/790352683.db2.gz VWBQGZSYGWPTGM-GFCCVEGCSA-N 1 0 349.391 -1.334 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1)C(=O)N(C)C ZINC001184015467 790351613 /nfs/dbraw/zinc/35/16/13/790351613.db2.gz VZTBHOZKVXMANO-GHMZBOCLSA-N 1 0 337.380 -1.384 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1)C(=O)N(C)C ZINC001184015468 790351199 /nfs/dbraw/zinc/35/11/99/790351199.db2.gz VZTBHOZKVXMANO-WDEREUQCSA-N 1 0 337.380 -1.384 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015473 790352735 /nfs/dbraw/zinc/35/27/35/790352735.db2.gz WFJOUHRPVFCWNY-LLVKDONJSA-N 1 0 337.380 -1.336 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1)C1CC1 ZINC001184015542 790352326 /nfs/dbraw/zinc/35/23/26/790352326.db2.gz YWNQGPBCLGKZBM-LLVKDONJSA-N 1 0 349.391 -1.240 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCCNC(N)=O)C1)C(=O)NC(N)=O ZINC001184034004 790353674 /nfs/dbraw/zinc/35/36/74/790353674.db2.gz ZZRUVNFQSOGXDU-NXEZZACHSA-N 1 0 342.400 -1.401 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCCNC(N)=O)C1)C(=O)NC(N)=O ZINC001184034005 790354551 /nfs/dbraw/zinc/35/45/51/790354551.db2.gz ZZRUVNFQSOGXDU-VHSXEESVSA-N 1 0 342.400 -1.401 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001184041548 790354509 /nfs/dbraw/zinc/35/45/09/790354509.db2.gz SZPANJQYDHPCGB-NXEZZACHSA-N 1 0 346.409 -1.803 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001184041551 790354075 /nfs/dbraw/zinc/35/40/75/790354075.db2.gz SZPANJQYDHPCGB-VHSXEESVSA-N 1 0 346.409 -1.803 20 0 EAADRO Nc1cn(C(=O)C2(CO)COC2)ccc1=[NH+]CCN1CCOCC1 ZINC001184041606 790354914 /nfs/dbraw/zinc/35/49/14/790354914.db2.gz XDTKVOGSRLAUQB-UHFFFAOYSA-N 1 0 336.392 -1.048 20 0 EAADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C2(CO)COC2)CC3)CC1 ZINC001184042220 790354245 /nfs/dbraw/zinc/35/42/45/790354245.db2.gz BDASPIHWBXALBL-UHFFFAOYSA-N 1 0 349.435 -1.018 20 0 EAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C1(CO)COC1 ZINC001184043201 790353452 /nfs/dbraw/zinc/35/34/52/790353452.db2.gz UQDIZOQRCXKJNR-UHFFFAOYSA-N 1 0 345.377 -1.383 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184049125 790353372 /nfs/dbraw/zinc/35/33/72/790353372.db2.gz CWCFWDYSFBABLY-SECBINFHSA-N 1 0 339.352 -2.089 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184049156 790353974 /nfs/dbraw/zinc/35/39/74/790353974.db2.gz FTTYXPIMJYUIOM-GFCCVEGCSA-N 1 0 327.381 -1.275 20 0 EAADRO NC(=O)NCCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184049578 790354395 /nfs/dbraw/zinc/35/43/95/790354395.db2.gz LHRAQLVDFGCSCL-SECBINFHSA-N 1 0 328.373 -1.790 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCCCNC(N)=O)C1 ZINC001184049979 790353220 /nfs/dbraw/zinc/35/32/20/790353220.db2.gz QWCZAGAGXNPSKQ-LLVKDONJSA-N 1 0 349.457 -1.435 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCCNC(N)=O)C1 ZINC001184049996 790353914 /nfs/dbraw/zinc/35/39/14/790353914.db2.gz SBCZDGYNWDNMRM-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO NC(=O)NCCCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001184050038 790354812 /nfs/dbraw/zinc/35/48/12/790354812.db2.gz UYCVNBJHGPOGQV-GHMZBOCLSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NCCCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001184050039 790353647 /nfs/dbraw/zinc/35/36/47/790353647.db2.gz UYCVNBJHGPOGQV-MNOVXSKESA-N 1 0 339.396 -1.179 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184054318 790354380 /nfs/dbraw/zinc/35/43/80/790354380.db2.gz JCPBPBPKSMOVEE-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184054321 790353995 /nfs/dbraw/zinc/35/39/95/790353995.db2.gz JCPBPBPKSMOVEE-MNOVXSKESA-N 1 0 341.412 -1.218 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184054323 790352972 /nfs/dbraw/zinc/35/29/72/790352972.db2.gz JCPBPBPKSMOVEE-QWRGUYRKSA-N 1 0 341.412 -1.218 20 0 EAADRO CCC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184054325 790352951 /nfs/dbraw/zinc/35/29/51/790352951.db2.gz JCPBPBPKSMOVEE-WDEREUQCSA-N 1 0 341.412 -1.218 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001184057652 790354868 /nfs/dbraw/zinc/35/48/68/790354868.db2.gz FDPSLHZQNHXQPF-DTWKUNHWSA-N 1 0 332.382 -2.194 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001184057653 790354767 /nfs/dbraw/zinc/35/47/67/790354767.db2.gz FDPSLHZQNHXQPF-RKDXNWHRSA-N 1 0 332.382 -2.194 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001184057706 790353954 /nfs/dbraw/zinc/35/39/54/790353954.db2.gz GMQITBPZJSJIBR-NXEZZACHSA-N 1 0 346.409 -1.933 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001184057707 790354737 /nfs/dbraw/zinc/35/47/37/790354737.db2.gz GMQITBPZJSJIBR-VHSXEESVSA-N 1 0 346.409 -1.933 20 0 EAADRO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001184057725 790353492 /nfs/dbraw/zinc/35/34/92/790353492.db2.gz HDBRUYBEKULOPI-NWDGAFQWSA-N 1 0 339.396 -1.370 20 0 EAADRO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001184057729 790353313 /nfs/dbraw/zinc/35/33/13/790353313.db2.gz HDBRUYBEKULOPI-VXGBXAGGSA-N 1 0 339.396 -1.370 20 0 EAADRO NC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001184058176 790353021 /nfs/dbraw/zinc/35/30/21/790353021.db2.gz JDZXZFUNMNGVKJ-CHWSQXEVSA-N 1 0 328.413 -1.024 20 0 EAADRO NC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001184058185 790353698 /nfs/dbraw/zinc/35/36/98/790353698.db2.gz JDZXZFUNMNGVKJ-QWHCGFSZSA-N 1 0 328.413 -1.024 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001184058236 790354691 /nfs/dbraw/zinc/35/46/91/790354691.db2.gz JWZJXGIRIMHVAS-NXEZZACHSA-N 1 0 340.384 -1.838 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001184058242 790353427 /nfs/dbraw/zinc/35/34/27/790353427.db2.gz JWZJXGIRIMHVAS-VHSXEESVSA-N 1 0 340.384 -1.838 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1)NC1CC1 ZINC001184058795 790353732 /nfs/dbraw/zinc/35/37/32/790353732.db2.gz PFRMFVOCOCCKRU-GFCCVEGCSA-N 1 0 336.392 -1.005 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184058929 790354138 /nfs/dbraw/zinc/35/41/38/790354138.db2.gz SKOVJLKYLZGIGF-NEPJUHHUSA-N 1 0 327.381 -1.277 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184058932 790354535 /nfs/dbraw/zinc/35/45/35/790354535.db2.gz SKOVJLKYLZGIGF-VXGBXAGGSA-N 1 0 327.381 -1.277 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001184058996 790356672 /nfs/dbraw/zinc/35/66/72/790356672.db2.gz TYARIGLOMQZPPN-GHMZBOCLSA-N 1 0 338.451 -1.344 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001184058998 790355263 /nfs/dbraw/zinc/35/52/63/790355263.db2.gz TYARIGLOMQZPPN-WDEREUQCSA-N 1 0 338.451 -1.344 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1)NC1CC1 ZINC001184059066 790356586 /nfs/dbraw/zinc/35/65/86/790356586.db2.gz VBEODKNDDAWMSL-CMPLNLGQSA-N 1 0 329.422 -1.110 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1)NC1CC1 ZINC001184059068 790355960 /nfs/dbraw/zinc/35/59/60/790355960.db2.gz VBEODKNDDAWMSL-ZYHUDNBSSA-N 1 0 329.422 -1.110 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001184059160 790355343 /nfs/dbraw/zinc/35/53/43/790355343.db2.gz WUCWIIDBGJJWQA-JHJVBQTASA-N 1 0 328.413 -1.025 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001184059161 790355556 /nfs/dbraw/zinc/35/55/56/790355556.db2.gz WUCWIIDBGJJWQA-UPJWGTAASA-N 1 0 328.413 -1.025 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001184059162 790355917 /nfs/dbraw/zinc/35/59/17/790355917.db2.gz WUCWIIDBGJJWQA-XQQFMLRXSA-N 1 0 328.413 -1.025 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001184059163 790356115 /nfs/dbraw/zinc/35/61/15/790356115.db2.gz WUCWIIDBGJJWQA-YNEHKIRRSA-N 1 0 328.413 -1.025 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184059216 790355590 /nfs/dbraw/zinc/35/55/90/790355590.db2.gz ZEFYNBBGPDNYIJ-LLVKDONJSA-N 1 0 345.421 -1.239 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)CCCC[NH+](C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001184066499 790352451 /nfs/dbraw/zinc/35/24/51/790352451.db2.gz QSLXBMSNVQWEMH-INMIOYRUSA-N 1 0 334.413 -1.321 20 0 EAADRO COCCOCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184068860 790351126 /nfs/dbraw/zinc/35/11/26/790351126.db2.gz QLRYCEVKWCWRIC-NEPJUHHUSA-N 1 0 344.412 -1.082 20 0 EAADRO COCCOCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184068861 790352020 /nfs/dbraw/zinc/35/20/20/790352020.db2.gz QLRYCEVKWCWRIC-NWDGAFQWSA-N 1 0 344.412 -1.082 20 0 EAADRO COCCOCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184068862 790352439 /nfs/dbraw/zinc/35/24/39/790352439.db2.gz QLRYCEVKWCWRIC-RYUDHWBXSA-N 1 0 344.412 -1.082 20 0 EAADRO COCCOCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184068863 790352117 /nfs/dbraw/zinc/35/21/17/790352117.db2.gz QLRYCEVKWCWRIC-VXGBXAGGSA-N 1 0 344.412 -1.082 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001184076047 790354342 /nfs/dbraw/zinc/35/43/42/790354342.db2.gz RCBFTZHFVVSVDW-LLVKDONJSA-N 1 0 337.380 -1.560 20 0 EAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(c2ncccn2)C2C[NH2+]C2)NC1=O ZINC001184084775 790356262 /nfs/dbraw/zinc/35/62/62/790356262.db2.gz JNRSYHZLXSADSW-ONGXEEELSA-N 1 0 332.364 -1.435 20 0 EAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCOC[C@@H]2C[NH+](C)C)NC1=O ZINC001184085102 790356828 /nfs/dbraw/zinc/35/68/28/790356828.db2.gz NDCWZNYULVQWLP-SRVKXCTJSA-N 1 0 326.397 -1.441 20 0 EAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCOC[C@H]2C[NH+](C)C)NC1=O ZINC001184085103 790355173 /nfs/dbraw/zinc/35/51/73/790355173.db2.gz NDCWZNYULVQWLP-TUAOUCFPSA-N 1 0 326.397 -1.441 20 0 EAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC([N@H+](C)[C@H]3CCOC3)C2)NC1=O ZINC001184085564 790356170 /nfs/dbraw/zinc/35/61/70/790356170.db2.gz ZJLCDBPPTLVCHN-GVXVVHGQSA-N 1 0 338.408 -1.299 20 0 EAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)NCCN2CCC[N@H+](C)CC2)NC1=O ZINC001184092447 790355149 /nfs/dbraw/zinc/35/51/49/790355149.db2.gz CQMAVWHWEZNPRR-STQMWFEESA-N 1 0 339.440 -1.477 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001184092727 790356444 /nfs/dbraw/zinc/35/64/44/790356444.db2.gz UKFXIYAECSSRIR-MRVPVSSYSA-N 1 0 337.336 -1.362 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184098180 790356430 /nfs/dbraw/zinc/35/64/30/790356430.db2.gz IOVBUHYJWIBWPS-NXEZZACHSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001184098181 790356731 /nfs/dbraw/zinc/35/67/31/790356731.db2.gz IOVBUHYJWIBWPS-UWVGGRQHSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001184098182 790356213 /nfs/dbraw/zinc/35/62/13/790356213.db2.gz IOVBUHYJWIBWPS-VHSXEESVSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184098183 790355697 /nfs/dbraw/zinc/35/56/97/790355697.db2.gz IOVBUHYJWIBWPS-ZJUUUORDSA-N 1 0 327.385 -1.608 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001184098253 790356401 /nfs/dbraw/zinc/35/64/01/790356401.db2.gz JAEROPNLNBGDIA-GHMZBOCLSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001184098254 790356763 /nfs/dbraw/zinc/35/67/63/790356763.db2.gz JAEROPNLNBGDIA-MNOVXSKESA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001184098255 790355511 /nfs/dbraw/zinc/35/55/11/790355511.db2.gz JAEROPNLNBGDIA-QWRGUYRKSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001184098256 790355952 /nfs/dbraw/zinc/35/59/52/790355952.db2.gz JAEROPNLNBGDIA-WDEREUQCSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001184099019 790356414 /nfs/dbraw/zinc/35/64/14/790356414.db2.gz NLTGQHBATVTQJU-NEPJUHHUSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001184099020 790355903 /nfs/dbraw/zinc/35/59/03/790355903.db2.gz NLTGQHBATVTQJU-NWDGAFQWSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001184099021 790355673 /nfs/dbraw/zinc/35/56/73/790355673.db2.gz NLTGQHBATVTQJU-RYUDHWBXSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001184099022 790355528 /nfs/dbraw/zinc/35/55/28/790355528.db2.gz NLTGQHBATVTQJU-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001184099627 790355541 /nfs/dbraw/zinc/35/55/41/790355541.db2.gz RVSMVXXDPUFDGP-CHWSQXEVSA-N 1 0 340.424 -1.205 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001184099628 790355851 /nfs/dbraw/zinc/35/58/51/790355851.db2.gz RVSMVXXDPUFDGP-OLZOCXBDSA-N 1 0 340.424 -1.205 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001184099629 790356721 /nfs/dbraw/zinc/35/67/21/790356721.db2.gz RVSMVXXDPUFDGP-QWHCGFSZSA-N 1 0 340.424 -1.205 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001184099630 790355461 /nfs/dbraw/zinc/35/54/61/790355461.db2.gz RVSMVXXDPUFDGP-STQMWFEESA-N 1 0 340.424 -1.205 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001184100213 790355802 /nfs/dbraw/zinc/35/58/02/790355802.db2.gz XPJDDTWLYJFKOA-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001184100214 790356613 /nfs/dbraw/zinc/35/66/13/790356613.db2.gz XPJDDTWLYJFKOA-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001184100215 790356252 /nfs/dbraw/zinc/35/62/52/790356252.db2.gz XPJDDTWLYJFKOA-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001184100216 790356518 /nfs/dbraw/zinc/35/65/18/790356518.db2.gz XPJDDTWLYJFKOA-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001184100265 790355324 /nfs/dbraw/zinc/35/53/24/790355324.db2.gz JWODZNUJYLHYLY-NXEZZACHSA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001184100267 790356069 /nfs/dbraw/zinc/35/60/69/790356069.db2.gz JWODZNUJYLHYLY-VHSXEESVSA-N 1 0 325.369 -1.569 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001184100545 790358892 /nfs/dbraw/zinc/35/88/92/790358892.db2.gz YBRKDBUEWCLGCM-NEPJUHHUSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001184100546 790357228 /nfs/dbraw/zinc/35/72/28/790357228.db2.gz YBRKDBUEWCLGCM-NWDGAFQWSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001184100547 790358476 /nfs/dbraw/zinc/35/84/76/790358476.db2.gz YBRKDBUEWCLGCM-RYUDHWBXSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001184100548 790358840 /nfs/dbraw/zinc/35/88/40/790358840.db2.gz YBRKDBUEWCLGCM-VXGBXAGGSA-N 1 0 325.413 -1.039 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184100613 790357966 /nfs/dbraw/zinc/35/79/66/790357966.db2.gz ZJFDJWTWKMNGBZ-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184100614 790357248 /nfs/dbraw/zinc/35/72/48/790357248.db2.gz ZJFDJWTWKMNGBZ-MNOVXSKESA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001184100615 790358077 /nfs/dbraw/zinc/35/80/77/790358077.db2.gz ZJFDJWTWKMNGBZ-QWRGUYRKSA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001184100616 790357515 /nfs/dbraw/zinc/35/75/15/790357515.db2.gz ZJFDJWTWKMNGBZ-WDEREUQCSA-N 1 0 341.412 -1.218 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184100625 790358409 /nfs/dbraw/zinc/35/84/09/790358409.db2.gz ZPGMXWDKPSZAGN-NEPJUHHUSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001184100626 790357634 /nfs/dbraw/zinc/35/76/34/790357634.db2.gz ZPGMXWDKPSZAGN-NWDGAFQWSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001184100627 790357700 /nfs/dbraw/zinc/35/77/00/790357700.db2.gz ZPGMXWDKPSZAGN-RYUDHWBXSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184100628 790358206 /nfs/dbraw/zinc/35/82/06/790358206.db2.gz ZPGMXWDKPSZAGN-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1)C(=O)NC(N)=O ZINC001184100669 790358221 /nfs/dbraw/zinc/35/82/21/790358221.db2.gz PILLNBPQJPYYPU-HTQZYQBOSA-N 1 0 337.336 -1.234 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1)C(=O)NC(N)=O ZINC001184100671 790358246 /nfs/dbraw/zinc/35/82/46/790358246.db2.gz PILLNBPQJPYYPU-JGVFFNPUSA-N 1 0 337.336 -1.234 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001184101049 790357651 /nfs/dbraw/zinc/35/76/51/790357651.db2.gz UATGRVRUWVFTQH-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001184101050 790357147 /nfs/dbraw/zinc/35/71/47/790357147.db2.gz UATGRVRUWVFTQH-WDEREUQCSA-N 1 0 339.396 -1.309 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001184101075 790357293 /nfs/dbraw/zinc/35/72/93/790357293.db2.gz VKYQZXQPJVHFLN-SECBINFHSA-N 1 0 344.393 -1.268 20 0 EAADRO CCOC(=O)CN(CC[NH3+])C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O ZINC001184102190 790357256 /nfs/dbraw/zinc/35/72/56/790357256.db2.gz PUNOSWNSIOPFBU-UWVGGRQHSA-N 1 0 328.369 -1.880 20 0 EAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)NCCN(CC[NH3+])N(O)N=O)NC1=O ZINC001184103072 790358153 /nfs/dbraw/zinc/35/81/53/790358153.db2.gz XUYYQIOSXVJOHD-IUCAKERBSA-N 1 0 345.360 -2.566 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001184108833 790358421 /nfs/dbraw/zinc/35/84/21/790358421.db2.gz WDPNKVKAXPRHDF-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001184108834 790358304 /nfs/dbraw/zinc/35/83/04/790358304.db2.gz WDPNKVKAXPRHDF-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)NC2(CO)CC[NH+](C)CC2)NC1=O ZINC001184110281 790358342 /nfs/dbraw/zinc/35/83/42/790358342.db2.gz GWUNAPFDXXSXFU-QWRGUYRKSA-N 1 0 326.397 -1.657 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)n(C)n2)C1 ZINC001184117059 790358554 /nfs/dbraw/zinc/35/85/54/790358554.db2.gz JHEOWBAUGHZRED-SECBINFHSA-N 1 0 338.368 -1.312 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc(OC)cn2)C1 ZINC001184117799 790357937 /nfs/dbraw/zinc/35/79/37/790357937.db2.gz SIXDJVSHNJLACS-SECBINFHSA-N 1 0 336.352 -1.255 20 0 EAADRO COc1cnc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nc1 ZINC001184118038 790357418 /nfs/dbraw/zinc/35/74/18/790357418.db2.gz XTIRMVHGSLBLSM-SNVBAGLBSA-N 1 0 343.409 -1.162 20 0 EAADRO COc1cnc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)nc1 ZINC001184118083 790358049 /nfs/dbraw/zinc/35/80/49/790358049.db2.gz YYZKWVUUDQSJCM-DTWKUNHWSA-N 1 0 336.352 -1.127 20 0 EAADRO COc1cnc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)nc1 ZINC001184118085 790358928 /nfs/dbraw/zinc/35/89/28/790358928.db2.gz YYZKWVUUDQSJCM-RKDXNWHRSA-N 1 0 336.352 -1.127 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184121304 790357387 /nfs/dbraw/zinc/35/73/87/790357387.db2.gz JOVNKDGTKWKBOD-NXEZZACHSA-N 1 0 349.395 -1.059 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184121305 790358809 /nfs/dbraw/zinc/35/88/09/790358809.db2.gz JOVNKDGTKWKBOD-UWVGGRQHSA-N 1 0 349.395 -1.059 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2N)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184121306 790357578 /nfs/dbraw/zinc/35/75/78/790357578.db2.gz JOVNKDGTKWKBOD-VHSXEESVSA-N 1 0 349.395 -1.059 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2N)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184121307 790357854 /nfs/dbraw/zinc/35/78/54/790357854.db2.gz JOVNKDGTKWKBOD-ZJUUUORDSA-N 1 0 349.395 -1.059 20 0 EAADRO COc1cc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nn1C ZINC001184127618 790358526 /nfs/dbraw/zinc/35/85/26/790358526.db2.gz PIILVRBZWRYUFU-SNVBAGLBSA-N 1 0 345.425 -1.218 20 0 EAADRO COc1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)nn1C ZINC001184128114 790358644 /nfs/dbraw/zinc/35/86/44/790358644.db2.gz UCJPIBZZSJPICM-DTWKUNHWSA-N 1 0 338.368 -1.184 20 0 EAADRO COc1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)nn1C ZINC001184128115 790358129 /nfs/dbraw/zinc/35/81/29/790358129.db2.gz UCJPIBZZSJPICM-RKDXNWHRSA-N 1 0 338.368 -1.184 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001184138400 790358380 /nfs/dbraw/zinc/35/83/80/790358380.db2.gz DABUQBDQUFEFJH-SSDOTTSWSA-N 1 0 332.324 -1.648 20 0 EAADRO COCCn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001184138466 790358104 /nfs/dbraw/zinc/35/81/04/790358104.db2.gz HLVHKUGYKDKKMC-SNVBAGLBSA-N 1 0 338.368 -1.472 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1)C(=O)NC(N)=O ZINC001184138505 790357989 /nfs/dbraw/zinc/35/79/89/790357989.db2.gz JESBQBWZJXPEHE-HTQZYQBOSA-N 1 0 346.351 -1.260 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1)C(=O)NC(N)=O ZINC001184138506 790358779 /nfs/dbraw/zinc/35/87/79/790358779.db2.gz JESBQBWZJXPEHE-JGVFFNPUSA-N 1 0 346.351 -1.260 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC001184139086 790357792 /nfs/dbraw/zinc/35/77/92/790357792.db2.gz YQZPFOYNIXPPGD-SNVBAGLBSA-N 1 0 335.364 -1.355 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1)C(=O)NC(N)=O ZINC001184147854 790357186 /nfs/dbraw/zinc/35/71/86/790357186.db2.gz MVQWRSULZNDLGU-NXEZZACHSA-N 1 0 335.364 -1.227 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1)C(=O)NC(N)=O ZINC001184147856 790357446 /nfs/dbraw/zinc/35/74/46/790357446.db2.gz MVQWRSULZNDLGU-VHSXEESVSA-N 1 0 335.364 -1.227 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)c1 ZINC001184148664 790357207 /nfs/dbraw/zinc/35/72/07/790357207.db2.gz WJTSMHLQPXLEIR-LLVKDONJSA-N 1 0 342.421 -1.261 20 0 EAADRO Cc1cnc(COCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)o1 ZINC001184148691 790357766 /nfs/dbraw/zinc/35/77/66/790357766.db2.gz XFXSRLNZFWNJKO-SNVBAGLBSA-N 1 0 339.352 -1.115 20 0 EAADRO COc1nccc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)n1 ZINC001184154588 790357088 /nfs/dbraw/zinc/35/70/88/790357088.db2.gz AYBIUCJKXBNXTH-DTWKUNHWSA-N 1 0 336.352 -1.127 20 0 EAADRO COc1nccc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001184154589 790357395 /nfs/dbraw/zinc/35/73/95/790357395.db2.gz AYBIUCJKXBNXTH-RKDXNWHRSA-N 1 0 336.352 -1.127 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001184154887 790358269 /nfs/dbraw/zinc/35/82/69/790358269.db2.gz GYHJAEOTEOJIKO-MRVPVSSYSA-N 1 0 346.351 -1.387 20 0 EAADRO COc1nccc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001184154898 790358848 /nfs/dbraw/zinc/35/88/48/790358848.db2.gz HIXODWVDEMNWES-SNVBAGLBSA-N 1 0 343.409 -1.162 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc(OC)n2)C1 ZINC001184154909 790357117 /nfs/dbraw/zinc/35/71/17/790357117.db2.gz IDWBKPXNHDACJS-SECBINFHSA-N 1 0 336.352 -1.255 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)C1 ZINC001184155358 790357828 /nfs/dbraw/zinc/35/78/28/790357828.db2.gz OYYXOTBVCYRFFT-SECBINFHSA-N 1 0 336.352 -1.335 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001184220183 790361147 /nfs/dbraw/zinc/36/11/47/790361147.db2.gz HWMONQCWHAOYIX-SECBINFHSA-N 1 0 332.324 -1.877 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cc(C)nn2C)C1 ZINC001184220494 790359259 /nfs/dbraw/zinc/35/92/59/790359259.db2.gz LCHDKHHBBVUDDI-LLVKDONJSA-N 1 0 336.396 -1.083 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001184220540 790360773 /nfs/dbraw/zinc/36/07/73/790360773.db2.gz NHDZQUOVJNGBSM-SNVBAGLBSA-N 1 0 346.351 -1.616 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1)C(=O)NC(N)=O ZINC001184220812 790359545 /nfs/dbraw/zinc/35/95/45/790359545.db2.gz QDNVQZVVPFBQTH-PSASIEDQSA-N 1 0 346.351 -1.488 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1)C(=O)NC(N)=O ZINC001184220813 790359781 /nfs/dbraw/zinc/35/97/81/790359781.db2.gz QDNVQZVVPFBQTH-WCBMZHEXSA-N 1 0 346.351 -1.488 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001184220817 790359447 /nfs/dbraw/zinc/35/94/47/790359447.db2.gz QGTHMCVRFNDKLD-LLVKDONJSA-N 1 0 338.393 -1.027 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3nccn3c2)C1 ZINC001184238063 790362969 /nfs/dbraw/zinc/36/29/69/790362969.db2.gz HTIKUSYVTNIAHR-SNVBAGLBSA-N 1 0 331.336 -1.272 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3nccn3c2)C1 ZINC001184238069 790361674 /nfs/dbraw/zinc/36/16/74/790361674.db2.gz IFESZIGFCYZJGV-LLVKDONJSA-N 1 0 345.363 -1.011 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184242164 790361657 /nfs/dbraw/zinc/36/16/57/790361657.db2.gz RBDZFNSSZRHPTK-NXEZZACHSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184242165 790361799 /nfs/dbraw/zinc/36/17/99/790361799.db2.gz RBDZFNSSZRHPTK-UWVGGRQHSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184242166 790362420 /nfs/dbraw/zinc/36/24/20/790362420.db2.gz RBDZFNSSZRHPTK-VHSXEESVSA-N 1 0 327.385 -1.608 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184242167 790362298 /nfs/dbraw/zinc/36/22/98/790362298.db2.gz RBDZFNSSZRHPTK-ZJUUUORDSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184242204 790362336 /nfs/dbraw/zinc/36/23/36/790362336.db2.gz RVSSELPFHDGVOI-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184242205 790361646 /nfs/dbraw/zinc/36/16/46/790361646.db2.gz RVSSELPFHDGVOI-MNOVXSKESA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184242206 790361469 /nfs/dbraw/zinc/36/14/69/790361469.db2.gz RVSSELPFHDGVOI-QWRGUYRKSA-N 1 0 341.412 -1.218 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184242207 790361721 /nfs/dbraw/zinc/36/17/21/790361721.db2.gz RVSSELPFHDGVOI-WDEREUQCSA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001184242416 790361695 /nfs/dbraw/zinc/36/16/95/790361695.db2.gz VLYKEQWSRKOPBN-GHMZBOCLSA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001184242417 790361978 /nfs/dbraw/zinc/36/19/78/790361978.db2.gz VLYKEQWSRKOPBN-MNOVXSKESA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](C)C1 ZINC001184242418 790361823 /nfs/dbraw/zinc/36/18/23/790361823.db2.gz VLYKEQWSRKOPBN-QWRGUYRKSA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](C)C1 ZINC001184242419 790362607 /nfs/dbraw/zinc/36/26/07/790362607.db2.gz VLYKEQWSRKOPBN-WDEREUQCSA-N 1 0 338.412 -1.181 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001184242484 790362750 /nfs/dbraw/zinc/36/27/50/790362750.db2.gz WOYDAGBCXIAWEJ-GHMZBOCLSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001184242485 790361810 /nfs/dbraw/zinc/36/18/10/790361810.db2.gz WOYDAGBCXIAWEJ-MNOVXSKESA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC001184242486 790362218 /nfs/dbraw/zinc/36/22/18/790362218.db2.gz WOYDAGBCXIAWEJ-QWRGUYRKSA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC001184242487 790362844 /nfs/dbraw/zinc/36/28/44/790362844.db2.gz WOYDAGBCXIAWEJ-WDEREUQCSA-N 1 0 341.412 -1.348 20 0 EAADRO COCC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CC1 ZINC001184257946 790362311 /nfs/dbraw/zinc/36/23/11/790362311.db2.gz CITZHWIFHPHUPY-GFCCVEGCSA-N 1 0 338.408 -1.438 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001184263815 790361540 /nfs/dbraw/zinc/36/15/40/790361540.db2.gz VMPYAOYASYUBLM-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001184263816 790362732 /nfs/dbraw/zinc/36/27/32/790362732.db2.gz VMPYAOYASYUBLM-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001184263817 790362632 /nfs/dbraw/zinc/36/26/32/790362632.db2.gz VMPYAOYASYUBLM-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001184263818 790362285 /nfs/dbraw/zinc/36/22/85/790362285.db2.gz VMPYAOYASYUBLM-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO COCC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001184271756 790362583 /nfs/dbraw/zinc/36/25/83/790362583.db2.gz UEAWJHBMUMAQMB-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO COc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cc1=O ZINC001184280123 790363534 /nfs/dbraw/zinc/36/35/34/790363534.db2.gz JWMWDHVMQBQYHC-MRVPVSSYSA-N 1 0 337.336 -1.618 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184289290 790364620 /nfs/dbraw/zinc/36/46/20/790364620.db2.gz NGVHEMNYDLDFJU-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184289306 790363351 /nfs/dbraw/zinc/36/33/51/790363351.db2.gz NGVHEMNYDLDFJU-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184289308 790364591 /nfs/dbraw/zinc/36/45/91/790364591.db2.gz NGVHEMNYDLDFJU-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184289310 790364707 /nfs/dbraw/zinc/36/47/07/790364707.db2.gz NGVHEMNYDLDFJU-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO COc1coc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cc1=O ZINC001184299916 790361765 /nfs/dbraw/zinc/36/17/65/790361765.db2.gz BXCZGHWVZVUURU-MRVPVSSYSA-N 1 0 338.320 -1.353 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184300746 790362871 /nfs/dbraw/zinc/36/28/71/790362871.db2.gz QQPALXZSEPPSMM-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184300748 790361420 /nfs/dbraw/zinc/36/14/20/790361420.db2.gz QQPALXZSEPPSMM-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184300750 790361965 /nfs/dbraw/zinc/36/19/65/790361965.db2.gz QQPALXZSEPPSMM-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184300751 790362779 /nfs/dbraw/zinc/36/27/79/790362779.db2.gz QQPALXZSEPPSMM-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO Cc1cncn1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184309254 790363030 /nfs/dbraw/zinc/36/30/30/790363030.db2.gz ATHYTFQHMSQIJZ-GFCCVEGCSA-N 1 0 329.426 -1.069 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184309255 790362081 /nfs/dbraw/zinc/36/20/81/790362081.db2.gz AWLBFLYHSWYWDD-CYBMUJFWSA-N 1 0 349.453 -1.389 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184309934 790364079 /nfs/dbraw/zinc/36/40/79/790364079.db2.gz NCCYTMKDYGOPRV-GFCCVEGCSA-N 1 0 346.453 -1.309 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184310426 790364200 /nfs/dbraw/zinc/36/42/00/790364200.db2.gz RHXIPUIOICCLKV-CHWSQXEVSA-N 1 0 349.453 -1.390 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184310427 790364888 /nfs/dbraw/zinc/36/48/88/790364888.db2.gz RHXIPUIOICCLKV-OLZOCXBDSA-N 1 0 349.453 -1.390 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184310433 790363902 /nfs/dbraw/zinc/36/39/02/790363902.db2.gz RKEYTXUYIVYOTA-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184310477 790364946 /nfs/dbraw/zinc/36/49/46/790364946.db2.gz UAJREVDTJWCMHP-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184311052 790363715 /nfs/dbraw/zinc/36/37/15/790363715.db2.gz XYMHFTAIUMYSMZ-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184311055 790363595 /nfs/dbraw/zinc/36/35/95/790363595.db2.gz XYMHFTAIUMYSMZ-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184345644 790364773 /nfs/dbraw/zinc/36/47/73/790364773.db2.gz VGWYYQNYKZAJGE-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184345645 790363850 /nfs/dbraw/zinc/36/38/50/790363850.db2.gz VGWYYQNYKZAJGE-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184345646 790363363 /nfs/dbraw/zinc/36/33/63/790363363.db2.gz VGWYYQNYKZAJGE-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184345647 790364382 /nfs/dbraw/zinc/36/43/82/790364382.db2.gz VGWYYQNYKZAJGE-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001184361988 790364629 /nfs/dbraw/zinc/36/46/29/790364629.db2.gz RQXMHFNCVFKXRT-LLVKDONJSA-N 1 0 335.364 -1.024 20 0 EAADRO Cn1nnc2cc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)cnc21 ZINC001184371511 790364719 /nfs/dbraw/zinc/36/47/19/790364719.db2.gz OEEBIPHANCRDLC-SECBINFHSA-N 1 0 346.351 -1.638 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)O1 ZINC001184389318 790364409 /nfs/dbraw/zinc/36/44/09/790364409.db2.gz OBDVJFQMDGTFPJ-MCIONIFRSA-N 1 0 343.424 -1.001 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001184389649 790364745 /nfs/dbraw/zinc/36/47/45/790364745.db2.gz PKSWWZRSHFBPIP-RQJABVFESA-N 1 0 343.424 -1.003 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001184389651 790364213 /nfs/dbraw/zinc/36/42/13/790364213.db2.gz PKSWWZRSHFBPIP-SYQHCUMBSA-N 1 0 343.424 -1.003 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001184389756 790364182 /nfs/dbraw/zinc/36/41/82/790364182.db2.gz SSXSDWGXFBJIJE-UTUOFQBUSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001184398154 790364695 /nfs/dbraw/zinc/36/46/95/790364695.db2.gz AJKOGDAIUKGNCC-CHWSQXEVSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001184398157 790363815 /nfs/dbraw/zinc/36/38/15/790363815.db2.gz AJKOGDAIUKGNCC-OLZOCXBDSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001184398158 790363753 /nfs/dbraw/zinc/36/37/53/790363753.db2.gz AJKOGDAIUKGNCC-QWHCGFSZSA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001184398161 790363812 /nfs/dbraw/zinc/36/38/12/790363812.db2.gz AJKOGDAIUKGNCC-STQMWFEESA-N 1 0 335.412 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001184399782 790363890 /nfs/dbraw/zinc/36/38/90/790363890.db2.gz NTVMRPORDNWHPE-NEPJUHHUSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001184399783 790364033 /nfs/dbraw/zinc/36/40/33/790364033.db2.gz NTVMRPORDNWHPE-NWDGAFQWSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001184399784 790364460 /nfs/dbraw/zinc/36/44/60/790364460.db2.gz NTVMRPORDNWHPE-RYUDHWBXSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001184399785 790364473 /nfs/dbraw/zinc/36/44/73/790364473.db2.gz NTVMRPORDNWHPE-VXGBXAGGSA-N 1 0 344.441 -1.208 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CCOCCO ZINC001184399978 790364580 /nfs/dbraw/zinc/36/45/80/790364580.db2.gz QUJDPZVTJPHHPH-CHWSQXEVSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CCOCCO ZINC001184399979 790364501 /nfs/dbraw/zinc/36/45/01/790364501.db2.gz QUJDPZVTJPHHPH-OLZOCXBDSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CCOCCO ZINC001184399980 790364974 /nfs/dbraw/zinc/36/49/74/790364974.db2.gz QUJDPZVTJPHHPH-QWHCGFSZSA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CCOCCO ZINC001184399981 790364758 /nfs/dbraw/zinc/36/47/58/790364758.db2.gz QUJDPZVTJPHHPH-STQMWFEESA-N 1 0 326.401 -1.244 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184400210 790363972 /nfs/dbraw/zinc/36/39/72/790363972.db2.gz VHXJCOIVTMTYDQ-NXEZZACHSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184400211 790363498 /nfs/dbraw/zinc/36/34/98/790363498.db2.gz VHXJCOIVTMTYDQ-UWVGGRQHSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184400212 790363398 /nfs/dbraw/zinc/36/33/98/790363398.db2.gz VHXJCOIVTMTYDQ-VHSXEESVSA-N 1 0 338.372 -2.058 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184400213 790364346 /nfs/dbraw/zinc/36/43/46/790364346.db2.gz VHXJCOIVTMTYDQ-ZJUUUORDSA-N 1 0 338.372 -2.058 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001184411993 790364849 /nfs/dbraw/zinc/36/48/49/790364849.db2.gz MGKJAZXEMGIUKO-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@@H]1C ZINC001184411994 790363309 /nfs/dbraw/zinc/36/33/09/790363309.db2.gz MGKJAZXEMGIUKO-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@@H]1C ZINC001184411995 790364935 /nfs/dbraw/zinc/36/49/35/790364935.db2.gz MGKJAZXEMGIUKO-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001184411996 790363559 /nfs/dbraw/zinc/36/35/59/790363559.db2.gz MGKJAZXEMGIUKO-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184412517 790364797 /nfs/dbraw/zinc/36/47/97/790364797.db2.gz SKSYDMCVHNMZST-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184412518 790363695 /nfs/dbraw/zinc/36/36/95/790363695.db2.gz SKSYDMCVHNMZST-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184412519 790363939 /nfs/dbraw/zinc/36/39/39/790363939.db2.gz SKSYDMCVHNMZST-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184412520 790364880 /nfs/dbraw/zinc/36/48/80/790364880.db2.gz SKSYDMCVHNMZST-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncc3cccnc32)C1 ZINC001184415879 790363573 /nfs/dbraw/zinc/36/35/73/790363573.db2.gz FWSYAFOXHXRSKL-LLVKDONJSA-N 1 0 345.363 -1.183 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001184416068 790363622 /nfs/dbraw/zinc/36/36/22/790363622.db2.gz KBPSLTGZGGDXGG-GHMZBOCLSA-N 1 0 349.395 -1.384 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001184416070 790364324 /nfs/dbraw/zinc/36/43/24/790364324.db2.gz KBPSLTGZGGDXGG-WDEREUQCSA-N 1 0 349.395 -1.384 20 0 EAADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NCC[NH2+]CCO ZINC001184422202 790366863 /nfs/dbraw/zinc/36/68/63/790366863.db2.gz OEUBKDARVPXWNR-HIFRSBDPSA-N 1 0 337.376 -1.567 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C[NH2+]CCCO ZINC001184422459 790366407 /nfs/dbraw/zinc/36/64/07/790366407.db2.gz HALFWPLEUUAYGG-NEPJUHHUSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C[NH2+]CCCO ZINC001184422460 790365284 /nfs/dbraw/zinc/36/52/84/790365284.db2.gz HALFWPLEUUAYGG-NWDGAFQWSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C[NH2+]CCCO ZINC001184422461 790366437 /nfs/dbraw/zinc/36/64/37/790366437.db2.gz HALFWPLEUUAYGG-RYUDHWBXSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C[NH2+]CCCO ZINC001184422462 790366899 /nfs/dbraw/zinc/36/68/99/790366899.db2.gz HALFWPLEUUAYGG-VXGBXAGGSA-N 1 0 338.412 -1.166 20 0 EAADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NC1(C[NH3+])COC1 ZINC001184422914 790366338 /nfs/dbraw/zinc/36/63/38/790366338.db2.gz TVPRROXLNZLRKJ-OCCSQVGLSA-N 1 0 335.360 -1.421 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184425816 790366851 /nfs/dbraw/zinc/36/68/51/790366851.db2.gz TXBKKMYTWPQTJM-NXEZZACHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184425817 790366560 /nfs/dbraw/zinc/36/65/60/790366560.db2.gz TXBKKMYTWPQTJM-UWVGGRQHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184425818 790367016 /nfs/dbraw/zinc/36/70/16/790367016.db2.gz TXBKKMYTWPQTJM-VHSXEESVSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184425819 790366837 /nfs/dbraw/zinc/36/68/37/790366837.db2.gz TXBKKMYTWPQTJM-ZJUUUORDSA-N 1 0 337.384 -2.064 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001184432989 790365236 /nfs/dbraw/zinc/36/52/36/790365236.db2.gz CPCQIVLRUWLCLG-SECBINFHSA-N 1 0 336.352 -1.960 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)ncc1=O ZINC001184433163 790365124 /nfs/dbraw/zinc/36/51/24/790365124.db2.gz FIDYPRPAOZJYCG-SNVBAGLBSA-N 1 0 343.409 -1.866 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)ncc1=O ZINC001184434357 790366005 /nfs/dbraw/zinc/36/60/05/790366005.db2.gz WLKODVDXGDQUSC-SNVBAGLBSA-N 1 0 328.394 -1.371 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)ncc1=O ZINC001184444937 790364394 /nfs/dbraw/zinc/36/43/94/790364394.db2.gz JNXFYGSFNRFJQK-CHWSQXEVSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)ncc1=O ZINC001184444941 790363862 /nfs/dbraw/zinc/36/38/62/790363862.db2.gz JNXFYGSFNRFJQK-OLZOCXBDSA-N 1 0 346.391 -1.158 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1)C(=O)NC(N)=O ZINC001184445161 790363468 /nfs/dbraw/zinc/36/34/68/790363468.db2.gz OBPMXOBXJRAUDZ-DTWKUNHWSA-N 1 0 336.352 -1.832 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1)C(=O)NC(N)=O ZINC001184445162 790364234 /nfs/dbraw/zinc/36/42/34/790364234.db2.gz OBPMXOBXJRAUDZ-RKDXNWHRSA-N 1 0 336.352 -1.832 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184458213 790365815 /nfs/dbraw/zinc/36/58/15/790365815.db2.gz DLJONIYCWCPHDM-GHMZBOCLSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184458214 790365855 /nfs/dbraw/zinc/36/58/55/790365855.db2.gz DLJONIYCWCPHDM-MNOVXSKESA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184458215 790366723 /nfs/dbraw/zinc/36/67/23/790366723.db2.gz DLJONIYCWCPHDM-QWRGUYRKSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184458216 790367030 /nfs/dbraw/zinc/36/70/30/790367030.db2.gz DLJONIYCWCPHDM-WDEREUQCSA-N 1 0 337.384 -1.453 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001184458959 790365904 /nfs/dbraw/zinc/36/59/04/790365904.db2.gz HMJBRUXWAUCLEQ-GHMZBOCLSA-N 1 0 331.438 -1.149 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001184458960 790366650 /nfs/dbraw/zinc/36/66/50/790366650.db2.gz HMJBRUXWAUCLEQ-MNOVXSKESA-N 1 0 331.438 -1.149 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC001184458961 790366938 /nfs/dbraw/zinc/36/69/38/790366938.db2.gz HMJBRUXWAUCLEQ-QWRGUYRKSA-N 1 0 331.438 -1.149 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC001184458962 790365225 /nfs/dbraw/zinc/36/52/25/790365225.db2.gz HMJBRUXWAUCLEQ-WDEREUQCSA-N 1 0 331.438 -1.149 20 0 EAADRO CCc1cc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n(C)n1 ZINC001184462965 790366253 /nfs/dbraw/zinc/36/62/53/790366253.db2.gz XQPAMTINTHDNIU-LLVKDONJSA-N 1 0 336.396 -1.090 20 0 EAADRO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184483216 790365300 /nfs/dbraw/zinc/36/53/00/790365300.db2.gz CUKPBKZGHLAFND-GMTAPVOTSA-N 1 0 334.380 -1.091 20 0 EAADRO Cc1nc2n(n1)C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC2 ZINC001184483272 790365942 /nfs/dbraw/zinc/36/59/42/790365942.db2.gz GBBCQVYFEIUBTA-GHMZBOCLSA-N 1 0 349.395 -1.466 20 0 EAADRO Cc1nc2n(n1)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC2 ZINC001184483275 790366540 /nfs/dbraw/zinc/36/65/40/790366540.db2.gz GBBCQVYFEIUBTA-WDEREUQCSA-N 1 0 349.395 -1.466 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001184483456 790366509 /nfs/dbraw/zinc/36/65/09/790366509.db2.gz KXZVLMWTPNGFBT-SRRSOLGSSA-N 1 0 340.380 -1.577 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)nn1 ZINC001184483859 790365419 /nfs/dbraw/zinc/36/54/19/790365419.db2.gz WHZGNVBZNGRGKA-SNVBAGLBSA-N 1 0 337.384 -1.513 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184491874 790365628 /nfs/dbraw/zinc/36/56/28/790365628.db2.gz ABIBUXQPSZNMFT-AXFHLTTASA-N 1 0 333.410 -1.875 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184491875 790366330 /nfs/dbraw/zinc/36/63/30/790366330.db2.gz ABIBUXQPSZNMFT-MXWKQRLJSA-N 1 0 333.410 -1.875 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184491911 790366685 /nfs/dbraw/zinc/36/66/85/790366685.db2.gz CDDWCYWBWYATDU-AXFHLTTASA-N 1 0 333.410 -1.875 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184491912 790365535 /nfs/dbraw/zinc/36/55/35/790365535.db2.gz CDDWCYWBWYATDU-MXWKQRLJSA-N 1 0 333.410 -1.875 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nn1 ZINC001184491946 790366913 /nfs/dbraw/zinc/36/69/13/790366913.db2.gz FAEHRSPLGQVREH-LLVKDONJSA-N 1 0 344.441 -1.420 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492072 790366418 /nfs/dbraw/zinc/36/64/18/790366418.db2.gz HINVOPCLZYEOTC-ZJUUUORDSA-N 1 0 346.409 -2.774 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492086 790365618 /nfs/dbraw/zinc/36/56/18/790365618.db2.gz IBNGZCIWBFSPFG-MNOVXSKESA-N 1 0 333.410 -1.873 20 0 EAADRO COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492096 790365780 /nfs/dbraw/zinc/36/57/80/790365780.db2.gz IHIUBGSADGCEBO-MNOVXSKESA-N 1 0 333.410 -1.873 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)OC ZINC001184492119 790366284 /nfs/dbraw/zinc/36/62/84/790366284.db2.gz JDTSKSIEKPJQEW-UTUOFQBUSA-N 1 0 347.437 -1.485 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)OC ZINC001184492133 790365407 /nfs/dbraw/zinc/36/54/07/790365407.db2.gz JDTSKSIEKPJQEW-WOPDTQHZSA-N 1 0 347.437 -1.485 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492172 790366104 /nfs/dbraw/zinc/36/61/04/790366104.db2.gz KRFVDSTVQSCZHV-ZJUUUORDSA-N 1 0 346.409 -2.822 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492227 790365747 /nfs/dbraw/zinc/36/57/47/790365747.db2.gz NNOJXADKWXNJQK-MXWKQRLJSA-N 1 0 349.409 -2.903 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492228 790366609 /nfs/dbraw/zinc/36/66/09/790366609.db2.gz NNOJXADKWXNJQK-VWYCJHECSA-N 1 0 349.409 -2.903 20 0 EAADRO CC(C)OCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492262 790366582 /nfs/dbraw/zinc/36/65/82/790366582.db2.gz PDJNYIMJBYOOMG-NEPJUHHUSA-N 1 0 347.437 -1.485 20 0 EAADRO CCOCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492385 790366380 /nfs/dbraw/zinc/36/63/80/790366380.db2.gz QSVWNJPBTOTEPS-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492423 790366820 /nfs/dbraw/zinc/36/68/20/790366820.db2.gz SUXIEJQYWCUSDO-TUAOUCFPSA-N 1 0 347.437 -1.749 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492424 790365490 /nfs/dbraw/zinc/36/54/90/790365490.db2.gz SUXIEJQYWCUSDO-UTUOFQBUSA-N 1 0 347.437 -1.749 20 0 EAADRO COCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492438 790365265 /nfs/dbraw/zinc/36/52/65/790365265.db2.gz UFXLACJIKVQBBA-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001184492455 790366095 /nfs/dbraw/zinc/36/60/95/790366095.db2.gz VGPXHHSBGDROPL-AOXPZSFVSA-N 1 0 335.813 -1.157 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001184492460 790365439 /nfs/dbraw/zinc/36/54/39/790365439.db2.gz VGPXHHSBGDROPL-LPVNXEGMSA-N 1 0 335.813 -1.157 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184492462 790366364 /nfs/dbraw/zinc/36/63/64/790366364.db2.gz VIKJXQQPKDHYCF-MNOVXSKESA-N 1 0 349.409 -2.901 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nccn2C)C1 ZINC001184492464 790366054 /nfs/dbraw/zinc/36/60/54/790366054.db2.gz VNIJRTZWSRCLBW-LLVKDONJSA-N 1 0 336.396 -1.001 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492467 790365198 /nfs/dbraw/zinc/36/51/98/790365198.db2.gz VQHLKWVMSNHMPJ-AEJSXWLSSA-N 1 0 346.409 -2.775 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492469 790366661 /nfs/dbraw/zinc/36/66/61/790366661.db2.gz VQHLKWVMSNHMPJ-BBBLOLIVSA-N 1 0 346.409 -2.775 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001184492675 790366480 /nfs/dbraw/zinc/36/64/80/790366480.db2.gz WCTLDJHRUDVGHQ-NXEZZACHSA-N 1 0 337.384 -1.386 20 0 EAADRO CCn1cc(CC(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001184492676 790366790 /nfs/dbraw/zinc/36/67/90/790366790.db2.gz WCTLDJHRUDVGHQ-VHSXEESVSA-N 1 0 337.384 -1.386 20 0 EAADRO C[C@H](F)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492682 790365354 /nfs/dbraw/zinc/36/53/54/790365354.db2.gz WKWVWHNZKGOXHR-AXFHLTTASA-N 1 0 335.401 -1.162 20 0 EAADRO C[C@@H](F)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492683 790366633 /nfs/dbraw/zinc/36/66/33/790366633.db2.gz WKWVWHNZKGOXHR-MXWKQRLJSA-N 1 0 335.401 -1.162 20 0 EAADRO CC[C@H](F)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492712 790365501 /nfs/dbraw/zinc/36/55/01/790365501.db2.gz XTQBIDXEUWTSQL-AXFHLTTASA-N 1 0 335.401 -1.162 20 0 EAADRO CC[C@@H](F)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492713 790365916 /nfs/dbraw/zinc/36/59/16/790365916.db2.gz XTQBIDXEUWTSQL-MXWKQRLJSA-N 1 0 335.401 -1.162 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492719 790365160 /nfs/dbraw/zinc/36/51/60/790365160.db2.gz YEPHLLDWFSTMBR-BDAKNGLRSA-N 1 0 332.382 -3.164 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1)S(C)(=O)=O ZINC001184499644 790368593 /nfs/dbraw/zinc/36/85/93/790368593.db2.gz GVTWJZATONLTRP-BXUZGUMPSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1)S(C)(=O)=O ZINC001184499645 790367670 /nfs/dbraw/zinc/36/76/70/790367670.db2.gz GVTWJZATONLTRP-RISCZKNCSA-N 1 0 346.453 -1.406 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499670 790368613 /nfs/dbraw/zinc/36/86/13/790368613.db2.gz IEFARASKMZQIRT-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499671 790368786 /nfs/dbraw/zinc/36/87/86/790368786.db2.gz IEFARASKMZQIRT-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499824 790367995 /nfs/dbraw/zinc/36/79/95/790367995.db2.gz JXEQDWWMRDIVBY-BMIGLBTASA-N 1 0 339.396 -1.451 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499825 790367868 /nfs/dbraw/zinc/36/78/68/790367868.db2.gz JXEQDWWMRDIVBY-MEBBXXQBSA-N 1 0 339.396 -1.451 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499853 790367274 /nfs/dbraw/zinc/36/72/74/790367274.db2.gz LGKSZWKUNNUEPN-BXUZGUMPSA-N 1 0 346.453 -1.358 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499854 790367618 /nfs/dbraw/zinc/36/76/18/790367618.db2.gz LGKSZWKUNNUEPN-RISCZKNCSA-N 1 0 346.453 -1.358 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499861 790368105 /nfs/dbraw/zinc/36/81/05/790368105.db2.gz LOAPWXTVAJESJN-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499862 790368574 /nfs/dbraw/zinc/36/85/74/790368574.db2.gz LOAPWXTVAJESJN-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184499865 790368209 /nfs/dbraw/zinc/36/82/09/790368209.db2.gz LQPVKHRPWWCQRR-YPMHNXCESA-N 1 0 337.380 -1.435 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184499867 790367474 /nfs/dbraw/zinc/36/74/74/790367474.db2.gz LTDNIKALOKLOMS-SCZZXKLOSA-N 1 0 349.351 -2.249 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499870 790368553 /nfs/dbraw/zinc/36/85/53/790368553.db2.gz LXLZSODCLUUXEY-CJNGLKHVSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499871 790368979 /nfs/dbraw/zinc/36/89/79/790368979.db2.gz LXLZSODCLUUXEY-CZUORRHYSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184500066 790367301 /nfs/dbraw/zinc/36/73/01/790367301.db2.gz QEYUANSGECEVBE-OTYXRUKQSA-N 1 0 325.369 -1.841 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184500069 790368411 /nfs/dbraw/zinc/36/84/11/790368411.db2.gz QEYUANSGECEVBE-YMTOWFKASA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CNC(=O)C1 ZINC001184500240 790368886 /nfs/dbraw/zinc/36/88/86/790368886.db2.gz SKDZRAUPPLEMNB-MFKMUULPSA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CNC(=O)C1 ZINC001184500241 790367975 /nfs/dbraw/zinc/36/79/75/790367975.db2.gz SKDZRAUPPLEMNB-ZWNOBZJWSA-N 1 0 332.426 -1.748 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184507775 790368666 /nfs/dbraw/zinc/36/86/66/790368666.db2.gz CQOQNVJOBPRQQX-PWSUYJOCSA-N 1 0 334.380 -1.356 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184508123 790367432 /nfs/dbraw/zinc/36/74/32/790367432.db2.gz DGJBXCKOGCZAFA-FOGDFJRCSA-N 1 0 334.380 -1.310 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184508124 790367711 /nfs/dbraw/zinc/36/77/11/790367711.db2.gz DGJBXCKOGCZAFA-UMNHJUIQSA-N 1 0 334.380 -1.310 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184508753 790367375 /nfs/dbraw/zinc/36/73/75/790367375.db2.gz LBGFHUFSDNVVQE-PWSUYJOCSA-N 1 0 334.380 -1.308 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)NC1CC1 ZINC001184508820 790368029 /nfs/dbraw/zinc/36/80/29/790368029.db2.gz MDWZYOOFWWKRGF-YPMHNXCESA-N 1 0 346.391 -1.165 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184510733 790371003 /nfs/dbraw/zinc/37/10/03/790371003.db2.gz ZZIATNGTJSPIQC-RTXFEEFZSA-N 1 0 337.380 -1.437 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184510736 790370795 /nfs/dbraw/zinc/37/07/95/790370795.db2.gz ZZIATNGTJSPIQC-WXHSDQCUSA-N 1 0 337.380 -1.437 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001184510955 790371210 /nfs/dbraw/zinc/37/12/10/790371210.db2.gz 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CNC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184511598 790370103 /nfs/dbraw/zinc/37/01/03/790370103.db2.gz IQOQCTUCEJNTRL-VHSXEESVSA-N 1 0 342.400 -1.816 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184511599 790371196 /nfs/dbraw/zinc/37/11/96/790371196.db2.gz IQOQCTUCEJNTRL-ZJUUUORDSA-N 1 0 342.400 -1.816 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C[NH2+]CCO ZINC001184514286 790370781 /nfs/dbraw/zinc/37/07/81/790370781.db2.gz UNCXAGBRYVBTKH-CHWSQXEVSA-N 1 0 338.408 -1.387 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C[NH2+]CCO ZINC001184514288 790370154 /nfs/dbraw/zinc/37/01/54/790370154.db2.gz UNCXAGBRYVBTKH-OLZOCXBDSA-N 1 0 338.408 -1.387 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C[NH2+]CCO ZINC001184514289 790369714 /nfs/dbraw/zinc/36/97/14/790369714.db2.gz UNCXAGBRYVBTKH-QWHCGFSZSA-N 1 0 338.408 -1.387 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C[NH2+]CCO ZINC001184514290 790370995 /nfs/dbraw/zinc/37/09/95/790370995.db2.gz UNCXAGBRYVBTKH-STQMWFEESA-N 1 0 338.408 -1.387 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001184522415 790365868 /nfs/dbraw/zinc/36/58/68/790365868.db2.gz FMJIRFBIAMKSAE-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C ZINC001184522416 790366962 /nfs/dbraw/zinc/36/69/62/790366962.db2.gz FMJIRFBIAMKSAE-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C ZINC001184522417 790365638 /nfs/dbraw/zinc/36/56/38/790365638.db2.gz FMJIRFBIAMKSAE-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001184522418 790366593 /nfs/dbraw/zinc/36/65/93/790366593.db2.gz FMJIRFBIAMKSAE-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184523492 790365563 /nfs/dbraw/zinc/36/55/63/790365563.db2.gz MOSWMYKCLCVQJH-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184523493 790367697 /nfs/dbraw/zinc/36/76/97/790367697.db2.gz MOSWMYKCLCVQJH-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184523494 790368998 /nfs/dbraw/zinc/36/89/98/790368998.db2.gz MOSWMYKCLCVQJH-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184523495 790368878 /nfs/dbraw/zinc/36/88/78/790368878.db2.gz MOSWMYKCLCVQJH-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001184524058 790368248 /nfs/dbraw/zinc/36/82/48/790368248.db2.gz OUQBZHGJQOGNMI-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001184524059 790367222 /nfs/dbraw/zinc/36/72/22/790367222.db2.gz OUQBZHGJQOGNMI-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001184524060 790367575 /nfs/dbraw/zinc/36/75/75/790367575.db2.gz OUQBZHGJQOGNMI-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001184524061 790367508 /nfs/dbraw/zinc/36/75/08/790367508.db2.gz OUQBZHGJQOGNMI-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184524078 790367234 /nfs/dbraw/zinc/36/72/34/790367234.db2.gz PFMAYSUZXDQXFP-GHMZBOCLSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184524079 790367405 /nfs/dbraw/zinc/36/74/05/790367405.db2.gz PFMAYSUZXDQXFP-MNOVXSKESA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184524080 790368956 /nfs/dbraw/zinc/36/89/56/790368956.db2.gz PFMAYSUZXDQXFP-QWRGUYRKSA-N 1 0 334.442 -1.515 20 0 EAADRO C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184524081 790369078 /nfs/dbraw/zinc/36/90/78/790369078.db2.gz PFMAYSUZXDQXFP-WDEREUQCSA-N 1 0 334.442 -1.515 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCNC(=O)COC)C[C@H]1C ZINC001184524991 790367460 /nfs/dbraw/zinc/36/74/60/790367460.db2.gz UIOKURGLYQGIOM-CHWSQXEVSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCNC(=O)COC)C[C@H]1C ZINC001184524992 790367418 /nfs/dbraw/zinc/36/74/18/790367418.db2.gz UIOKURGLYQGIOM-OLZOCXBDSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCNC(=O)COC)C[C@@H]1C ZINC001184524993 790368364 /nfs/dbraw/zinc/36/83/64/790368364.db2.gz UIOKURGLYQGIOM-QWHCGFSZSA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCNC(=O)COC)C[C@@H]1C ZINC001184524994 790367746 /nfs/dbraw/zinc/36/77/46/790367746.db2.gz UIOKURGLYQGIOM-STQMWFEESA-N 1 0 342.440 -1.041 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001184525756 790368771 /nfs/dbraw/zinc/36/87/71/790368771.db2.gz YSJHTLDLHLQIJZ-NEPJUHHUSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C ZINC001184525762 790368943 /nfs/dbraw/zinc/36/89/43/790368943.db2.gz YSJHTLDLHLQIJZ-NWDGAFQWSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C ZINC001184525763 790368470 /nfs/dbraw/zinc/36/84/70/790368470.db2.gz YSJHTLDLHLQIJZ-RYUDHWBXSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001184525764 790367828 /nfs/dbraw/zinc/36/78/28/790367828.db2.gz YSJHTLDLHLQIJZ-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184525903 790368020 /nfs/dbraw/zinc/36/80/20/790368020.db2.gz ZTHOEAFDCTXECV-NEPJUHHUSA-N 1 0 328.413 -1.301 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184525904 790368451 /nfs/dbraw/zinc/36/84/51/790368451.db2.gz ZTHOEAFDCTXECV-NWDGAFQWSA-N 1 0 328.413 -1.301 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184525905 790368850 /nfs/dbraw/zinc/36/88/50/790368850.db2.gz ZTHOEAFDCTXECV-RYUDHWBXSA-N 1 0 328.413 -1.301 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184525906 790367934 /nfs/dbraw/zinc/36/79/34/790367934.db2.gz ZTHOEAFDCTXECV-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001184526795 790368914 /nfs/dbraw/zinc/36/89/14/790368914.db2.gz DXYVBYMNVXBKPV-SNVBAGLBSA-N 1 0 330.352 -1.393 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001184526891 790367732 /nfs/dbraw/zinc/36/77/32/790367732.db2.gz FQJAUZONVLVASC-LLVKDONJSA-N 1 0 344.379 -1.003 20 0 EAADRO O=C(c1ccc(-n2cnnn2)cn1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184527358 790367657 /nfs/dbraw/zinc/36/76/57/790367657.db2.gz LECIXGWCJYFYTE-GFCCVEGCSA-N 1 0 347.379 -1.130 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001184527704 790367546 /nfs/dbraw/zinc/36/75/46/790367546.db2.gz ODUWDLLSKOVMGN-GHMZBOCLSA-N 1 0 344.379 -1.004 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001184527705 790367347 /nfs/dbraw/zinc/36/73/47/790367347.db2.gz ODUWDLLSKOVMGN-WDEREUQCSA-N 1 0 344.379 -1.004 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001184527766 790368266 /nfs/dbraw/zinc/36/82/66/790368266.db2.gz QOXYCRGEEULXOY-DGCLKSJQSA-N 1 0 347.379 -1.131 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001184527767 790368565 /nfs/dbraw/zinc/36/85/65/790368565.db2.gz QOXYCRGEEULXOY-YPMHNXCESA-N 1 0 347.379 -1.131 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001184528077 790368390 /nfs/dbraw/zinc/36/83/90/790368390.db2.gz UJCGUSYIBLPIJX-LLVKDONJSA-N 1 0 344.379 -1.050 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@H]1C ZINC001184533574 790368759 /nfs/dbraw/zinc/36/87/59/790368759.db2.gz GWOSMMFGFMUNIO-CHWSQXEVSA-N 1 0 342.440 -1.089 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@H]1C ZINC001184533575 790368809 /nfs/dbraw/zinc/36/88/09/790368809.db2.gz GWOSMMFGFMUNIO-OLZOCXBDSA-N 1 0 342.440 -1.089 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@@H]1C ZINC001184533576 790368695 /nfs/dbraw/zinc/36/86/95/790368695.db2.gz GWOSMMFGFMUNIO-QWHCGFSZSA-N 1 0 342.440 -1.089 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@@H]1C ZINC001184533577 790369063 /nfs/dbraw/zinc/36/90/63/790369063.db2.gz GWOSMMFGFMUNIO-STQMWFEESA-N 1 0 342.440 -1.089 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001184534882 790368864 /nfs/dbraw/zinc/36/88/64/790368864.db2.gz OAIPDQQKXKBIEE-CHWSQXEVSA-N 1 0 330.429 -1.002 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001184534883 790368312 /nfs/dbraw/zinc/36/83/12/790368312.db2.gz OAIPDQQKXKBIEE-OLZOCXBDSA-N 1 0 330.429 -1.002 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](C[NH2+]CCOCCO)[C@@H](C)C1 ZINC001184534884 790367328 /nfs/dbraw/zinc/36/73/28/790367328.db2.gz OAIPDQQKXKBIEE-QWHCGFSZSA-N 1 0 330.429 -1.002 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCOCCO)[C@@H](C)C1 ZINC001184534885 790369011 /nfs/dbraw/zinc/36/90/11/790369011.db2.gz OAIPDQQKXKBIEE-STQMWFEESA-N 1 0 330.429 -1.002 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184535063 790367893 /nfs/dbraw/zinc/36/78/93/790367893.db2.gz PYORSZWMMRBNNT-NEPJUHHUSA-N 1 0 328.413 -1.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184535064 790367199 /nfs/dbraw/zinc/36/71/99/790367199.db2.gz PYORSZWMMRBNNT-NWDGAFQWSA-N 1 0 328.413 -1.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184535065 790368141 /nfs/dbraw/zinc/36/81/41/790368141.db2.gz PYORSZWMMRBNNT-RYUDHWBXSA-N 1 0 328.413 -1.349 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184535066 790367961 /nfs/dbraw/zinc/36/79/61/790367961.db2.gz PYORSZWMMRBNNT-VXGBXAGGSA-N 1 0 328.413 -1.349 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184535075 790368478 /nfs/dbraw/zinc/36/84/78/790368478.db2.gz QAXVQBUBSQAWCE-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184535076 790369023 /nfs/dbraw/zinc/36/90/23/790369023.db2.gz QAXVQBUBSQAWCE-MNOVXSKESA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184535077 790368708 /nfs/dbraw/zinc/36/87/08/790368708.db2.gz QAXVQBUBSQAWCE-QWRGUYRKSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184535078 790369094 /nfs/dbraw/zinc/36/90/94/790369094.db2.gz QAXVQBUBSQAWCE-WDEREUQCSA-N 1 0 334.442 -1.563 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184535634 790367643 /nfs/dbraw/zinc/36/76/43/790367643.db2.gz CZDWPXLTLQTSLQ-CYBMUJFWSA-N 1 0 341.412 -1.175 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536104 790368826 /nfs/dbraw/zinc/36/88/26/790368826.db2.gz ITKHXUDQMPSWQU-GFCCVEGCSA-N 1 0 338.412 -1.311 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536123 790367947 /nfs/dbraw/zinc/36/79/47/790367947.db2.gz JODUGCJTHVJNEG-NEPJUHHUSA-N 1 0 327.385 -1.830 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536124 790368491 /nfs/dbraw/zinc/36/84/91/790368491.db2.gz JODUGCJTHVJNEG-VXGBXAGGSA-N 1 0 327.385 -1.830 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)c1=O ZINC001184536210 790368055 /nfs/dbraw/zinc/36/80/55/790368055.db2.gz KBGATSUAVMRODG-LLVKDONJSA-N 1 0 345.425 -1.793 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)c1=O ZINC001184536216 790368377 /nfs/dbraw/zinc/36/83/77/790368377.db2.gz KGDFXSAJJUIFQA-GFCCVEGCSA-N 1 0 327.385 -1.829 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)c1=O ZINC001184536221 790367841 /nfs/dbraw/zinc/36/78/41/790367841.db2.gz KKTDPIKPRZSSME-GFCCVEGCSA-N 1 0 336.396 -1.559 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536258 790367517 /nfs/dbraw/zinc/36/75/17/790367517.db2.gz LLQPTZDCWFMDDP-GFCCVEGCSA-N 1 0 338.412 -1.359 20 0 EAADRO Cn1cnn(CCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1=O ZINC001184536312 790368289 /nfs/dbraw/zinc/36/82/89/790368289.db2.gz OANDQVVEKAXJAC-SECBINFHSA-N 1 0 339.356 -2.643 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536532 790368325 /nfs/dbraw/zinc/36/83/25/790368325.db2.gz QYXRYWWYONHBBJ-GFCCVEGCSA-N 1 0 338.412 -1.313 20 0 EAADRO O=C(COCC(F)F)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001184543193 790368717 /nfs/dbraw/zinc/36/87/17/790368717.db2.gz GFEFQNWFTOUDFY-SNVBAGLBSA-N 1 0 348.350 -1.583 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1)C(=O)N(C)C ZINC001184543247 790367908 /nfs/dbraw/zinc/36/79/08/790367908.db2.gz IKUFJKJXMDTXER-NWDGAFQWSA-N 1 0 338.412 -1.361 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1)C(=O)N(C)C ZINC001184543248 790367782 /nfs/dbraw/zinc/36/77/82/790367782.db2.gz IKUFJKJXMDTXER-VXGBXAGGSA-N 1 0 338.412 -1.361 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184545112 790368436 /nfs/dbraw/zinc/36/84/36/790368436.db2.gz MPQDRWPGWFUSDI-NEPJUHHUSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184545114 790368966 /nfs/dbraw/zinc/36/89/66/790368966.db2.gz MPQDRWPGWFUSDI-NWDGAFQWSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184545115 790369111 /nfs/dbraw/zinc/36/91/11/790369111.db2.gz MPQDRWPGWFUSDI-RYUDHWBXSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184545117 790367249 /nfs/dbraw/zinc/36/72/49/790367249.db2.gz MPQDRWPGWFUSDI-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1)C(=O)NC(N)=O ZINC001184551191 790370710 /nfs/dbraw/zinc/37/07/10/790370710.db2.gz BLCDWYWHGHGLDO-IONNQARKSA-N 1 0 337.336 -1.234 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1)C(=O)NC(N)=O ZINC001184551192 790370251 /nfs/dbraw/zinc/37/02/51/790370251.db2.gz BLCDWYWHGHGLDO-VXNVDRBHSA-N 1 0 337.336 -1.234 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001184551903 790369405 /nfs/dbraw/zinc/36/94/05/790369405.db2.gz ZRQAABHHPXYYQP-SNVBAGLBSA-N 1 0 344.393 -1.268 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001184559125 790370587 /nfs/dbraw/zinc/37/05/87/790370587.db2.gz IAUSALHHKCMJRU-SECBINFHSA-N 1 0 337.336 -1.362 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCCc2c[nH]nn2)C1 ZINC001184560010 790369323 /nfs/dbraw/zinc/36/93/23/790369323.db2.gz QHMLPLHLINOSNA-LLVKDONJSA-N 1 0 337.384 -1.097 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001184575594 790370412 /nfs/dbraw/zinc/37/04/12/790370412.db2.gz GJPVLECTSBAHPB-GHMZBOCLSA-N 1 0 334.367 -1.111 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001184575607 790369789 /nfs/dbraw/zinc/36/97/89/790369789.db2.gz GJPVLECTSBAHPB-MNOVXSKESA-N 1 0 334.367 -1.111 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184576938 790369489 /nfs/dbraw/zinc/36/94/89/790369489.db2.gz JVXJCDVPKMEEAQ-NEPJUHHUSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184576956 790369922 /nfs/dbraw/zinc/36/99/22/790369922.db2.gz JVXJCDVPKMEEAQ-NWDGAFQWSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184576959 790369633 /nfs/dbraw/zinc/36/96/33/790369633.db2.gz JVXJCDVPKMEEAQ-RYUDHWBXSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184576962 790370960 /nfs/dbraw/zinc/37/09/60/790370960.db2.gz JVXJCDVPKMEEAQ-VXGBXAGGSA-N 1 0 326.397 -1.595 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001184577417 790370672 /nfs/dbraw/zinc/37/06/72/790370672.db2.gz MMLLYCVNMYOACS-CHWSQXEVSA-N 1 0 340.424 -1.335 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001184577421 790369964 /nfs/dbraw/zinc/36/99/64/790369964.db2.gz MMLLYCVNMYOACS-OLZOCXBDSA-N 1 0 340.424 -1.335 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C ZINC001184577423 790370378 /nfs/dbraw/zinc/37/03/78/790370378.db2.gz MMLLYCVNMYOACS-QWHCGFSZSA-N 1 0 340.424 -1.335 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C ZINC001184577425 790370889 /nfs/dbraw/zinc/37/08/89/790370889.db2.gz MMLLYCVNMYOACS-STQMWFEESA-N 1 0 340.424 -1.335 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)S(N)(=O)=O ZINC001184584201 790369607 /nfs/dbraw/zinc/36/96/07/790369607.db2.gz ABOVOCUALTXIOG-NEPJUHHUSA-N 1 0 346.453 -1.134 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)S(N)(=O)=O ZINC001184584202 790369838 /nfs/dbraw/zinc/36/98/38/790369838.db2.gz ABOVOCUALTXIOG-VXGBXAGGSA-N 1 0 346.453 -1.134 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1)S(N)(=O)=O ZINC001184584279 790371085 /nfs/dbraw/zinc/37/10/85/790371085.db2.gz BRISVAAPSRVXTM-PWSUYJOCSA-N 1 0 344.441 -1.037 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1)S(N)(=O)=O ZINC001184584281 790369435 /nfs/dbraw/zinc/36/94/35/790369435.db2.gz BRISVAAPSRVXTM-ZYHUDNBSSA-N 1 0 344.441 -1.037 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)S(N)(=O)=O ZINC001184584699 790369535 /nfs/dbraw/zinc/36/95/35/790369535.db2.gz GWAGSCOTXYFGIM-NEPJUHHUSA-N 1 0 337.442 -1.357 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)S(N)(=O)=O ZINC001184584700 790370575 /nfs/dbraw/zinc/37/05/75/790370575.db2.gz GWAGSCOTXYFGIM-VXGBXAGGSA-N 1 0 337.442 -1.357 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C1)S(N)(=O)=O ZINC001184584716 790370066 /nfs/dbraw/zinc/37/00/66/790370066.db2.gz HJNOYCABVZFVCA-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C1)S(N)(=O)=O ZINC001184584717 790370390 /nfs/dbraw/zinc/37/03/90/790370390.db2.gz HJNOYCABVZFVCA-MNOVXSKESA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1)S(N)(=O)=O ZINC001184585161 790369310 /nfs/dbraw/zinc/36/93/10/790369310.db2.gz JJNGQBHWWMVWTB-GRYCIOLGSA-N 1 0 337.442 -1.359 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1)S(N)(=O)=O ZINC001184585162 790369522 /nfs/dbraw/zinc/36/95/22/790369522.db2.gz JJNGQBHWWMVWTB-IJLUTSLNSA-N 1 0 337.442 -1.359 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1)S(N)(=O)=O ZINC001184585163 790370764 /nfs/dbraw/zinc/37/07/64/790370764.db2.gz JJNGQBHWWMVWTB-UTUOFQBUSA-N 1 0 337.442 -1.359 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1)S(N)(=O)=O ZINC001184585164 790369757 /nfs/dbraw/zinc/36/97/57/790369757.db2.gz JJNGQBHWWMVWTB-WOPDTQHZSA-N 1 0 337.442 -1.359 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)S(N)(=O)=O ZINC001184585440 790370737 /nfs/dbraw/zinc/37/07/37/790370737.db2.gz MSHRZTBHHCPCOM-BDAKNGLRSA-N 1 0 349.413 -2.171 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)S(N)(=O)=O ZINC001184585441 790370167 /nfs/dbraw/zinc/37/01/67/790370167.db2.gz MSHRZTBHHCPCOM-RKDXNWHRSA-N 1 0 349.413 -2.171 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)S(N)(=O)=O ZINC001184585527 790370476 /nfs/dbraw/zinc/37/04/76/790370476.db2.gz QJQDEEKSWVZKOK-GHMZBOCLSA-N 1 0 334.442 -1.278 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)S(N)(=O)=O ZINC001184585529 790370202 /nfs/dbraw/zinc/37/02/02/790370202.db2.gz QJQDEEKSWVZKOK-MNOVXSKESA-N 1 0 334.442 -1.278 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)S(N)(=O)=O ZINC001184585789 790370114 /nfs/dbraw/zinc/37/01/14/790370114.db2.gz VPDVWSHSPZDWOK-NEPJUHHUSA-N 1 0 346.453 -1.087 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)S(N)(=O)=O ZINC001184585793 790370350 /nfs/dbraw/zinc/37/03/50/790370350.db2.gz VPDVWSHSPZDWOK-VXGBXAGGSA-N 1 0 346.453 -1.087 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001184593591 790369559 /nfs/dbraw/zinc/36/95/59/790369559.db2.gz DUZFAXKFQXKCCG-NXEZZACHSA-N 1 0 325.369 -1.712 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001184593599 790370810 /nfs/dbraw/zinc/37/08/10/790370810.db2.gz DUZFAXKFQXKCCG-VHSXEESVSA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001184594175 790370936 /nfs/dbraw/zinc/37/09/36/790370936.db2.gz NBYYBQRNZZLHAK-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001184594176 790370284 /nfs/dbraw/zinc/37/02/84/790370284.db2.gz NBYYBQRNZZLHAK-WDEREUQCSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001184594481 790370968 /nfs/dbraw/zinc/37/09/68/790370968.db2.gz RORRQFNCOCVQPW-SNVBAGLBSA-N 1 0 332.364 -1.119 20 0 EAADRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)S(N)(=O)=O ZINC001184594651 790373464 /nfs/dbraw/zinc/37/34/64/790373464.db2.gz UKHBESUCBMNYPF-NEPJUHHUSA-N 1 0 344.441 -1.074 20 0 EAADRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)S(N)(=O)=O ZINC001184594652 790372196 /nfs/dbraw/zinc/37/21/96/790372196.db2.gz UKHBESUCBMNYPF-VXGBXAGGSA-N 1 0 344.441 -1.074 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001184602420 790371619 /nfs/dbraw/zinc/37/16/19/790371619.db2.gz WKRAZZZULAJYCQ-NXEZZACHSA-N 1 0 346.409 -1.661 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001184602421 790373337 /nfs/dbraw/zinc/37/33/37/790373337.db2.gz WKRAZZZULAJYCQ-ZJUUUORDSA-N 1 0 346.409 -1.661 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001184602439 790371787 /nfs/dbraw/zinc/37/17/87/790371787.db2.gz WWBZUQOGXIMGKB-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001184602440 790373477 /nfs/dbraw/zinc/37/34/77/790373477.db2.gz WWBZUQOGXIMGKB-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184605864 790373058 /nfs/dbraw/zinc/37/30/58/790373058.db2.gz LWKVEPHDYYOKHJ-NXEZZACHSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184605866 790372121 /nfs/dbraw/zinc/37/21/21/790372121.db2.gz LWKVEPHDYYOKHJ-UWVGGRQHSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184605868 790371864 /nfs/dbraw/zinc/37/18/64/790371864.db2.gz LWKVEPHDYYOKHJ-VHSXEESVSA-N 1 0 341.412 -1.233 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184605870 790372942 /nfs/dbraw/zinc/37/29/42/790372942.db2.gz LWKVEPHDYYOKHJ-ZJUUUORDSA-N 1 0 341.412 -1.233 20 0 EAADRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)c1cnn(C)c1 ZINC001184608658 790372252 /nfs/dbraw/zinc/37/22/52/790372252.db2.gz BEOQPGAFKCCFMK-PWSUYJOCSA-N 1 0 338.368 -1.507 20 0 EAADRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)c1cnn(C)c1 ZINC001184608660 790372539 /nfs/dbraw/zinc/37/25/39/790372539.db2.gz BEOQPGAFKCCFMK-ZYHUDNBSSA-N 1 0 338.368 -1.507 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001184608736 790372393 /nfs/dbraw/zinc/37/23/93/790372393.db2.gz CKCJYKMURFTFBM-FRRDWIJNSA-N 1 0 326.397 -1.441 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001184608809 790371642 /nfs/dbraw/zinc/37/16/42/790371642.db2.gz DYOCTNRJTRUXBS-AHLTXXRQSA-N 1 0 340.424 -1.053 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001184608814 790373604 /nfs/dbraw/zinc/37/36/04/790373604.db2.gz DYOCTNRJTRUXBS-RUZUBIRVSA-N 1 0 340.424 -1.053 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)N(C(C)=O)C1 ZINC001184609018 790372841 /nfs/dbraw/zinc/37/28/41/790372841.db2.gz HRNVRPCTLDPQNL-HZSPNIEDSA-N 1 0 340.424 -1.099 20 0 EAADRO CO[C@H]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)N(C(C)=O)C1 ZINC001184609679 790373543 /nfs/dbraw/zinc/37/35/43/790373543.db2.gz TUGDTZRWGOIGHR-QLFBSQMISA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001184609974 790371736 /nfs/dbraw/zinc/37/17/36/790371736.db2.gz ZRKMMUIZFGNOCT-APIJFGDWSA-N 1 0 343.424 -1.180 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001184609976 790371524 /nfs/dbraw/zinc/37/15/24/790371524.db2.gz ZRKMMUIZFGNOCT-CBBWQLFWSA-N 1 0 343.424 -1.180 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184618419 790372162 /nfs/dbraw/zinc/37/21/62/790372162.db2.gz AEJOQAUHCJSNMC-SSDOTTSWSA-N 1 0 336.374 -3.574 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001184618458 790372774 /nfs/dbraw/zinc/37/27/74/790372774.db2.gz ASNGQXDOSZVFLU-LLVKDONJSA-N 1 0 347.441 -2.243 20 0 EAADRO CCc1nocc1C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184618468 790372860 /nfs/dbraw/zinc/37/28/60/790372860.db2.gz AZEGMZYRFBBKEX-LLVKDONJSA-N 1 0 345.425 -1.019 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC001184618479 790373265 /nfs/dbraw/zinc/37/32/65/790373265.db2.gz BMACOBVGONPTFX-LLVKDONJSA-N 1 0 331.398 -1.273 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001184618517 790372569 /nfs/dbraw/zinc/37/25/69/790372569.db2.gz DBRKSPVEECCNQX-LLVKDONJSA-N 1 0 330.414 -1.836 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001184618529 790373214 /nfs/dbraw/zinc/37/32/14/790373214.db2.gz DZFAHEKYHYNPIY-SNVBAGLBSA-N 1 0 330.414 -1.836 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001184618643 790372764 /nfs/dbraw/zinc/37/27/64/790372764.db2.gz FLDJEAHAHRKTAJ-NEPJUHHUSA-N 1 0 334.442 -1.200 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001184618644 790373046 /nfs/dbraw/zinc/37/30/46/790373046.db2.gz FLDJEAHAHRKTAJ-VXGBXAGGSA-N 1 0 334.442 -1.200 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001184618658 790371746 /nfs/dbraw/zinc/37/17/46/790371746.db2.gz FWWKDVYGVQWSSR-LLVKDONJSA-N 1 0 347.441 -2.147 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC001184618682 790373629 /nfs/dbraw/zinc/37/36/29/790373629.db2.gz GOWCAROJQNSCPP-SNVBAGLBSA-N 1 0 331.398 -1.273 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001184618687 790372790 /nfs/dbraw/zinc/37/27/90/790372790.db2.gz GUKSKFNPEQPUNH-LLVKDONJSA-N 1 0 330.414 -1.873 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC001184618693 790371946 /nfs/dbraw/zinc/37/19/46/790371946.db2.gz HAXMURNZTPZOOZ-SNVBAGLBSA-N 1 0 347.466 -1.070 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184618717 790372594 /nfs/dbraw/zinc/37/25/94/790372594.db2.gz HQHCWTMATQMZOA-SNVBAGLBSA-N 1 0 335.430 -2.291 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001184618839 790373035 /nfs/dbraw/zinc/37/30/35/790373035.db2.gz IUMJETPJXNGROV-SNVBAGLBSA-N 1 0 348.429 -2.744 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001184618850 790371876 /nfs/dbraw/zinc/37/18/76/790371876.db2.gz IUMWGCVEVUIEAC-SECBINFHSA-N 1 0 342.443 -2.725 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001184618923 790372692 /nfs/dbraw/zinc/37/26/92/790372692.db2.gz JRSOSZQVHBBNBM-SNVBAGLBSA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001184618954 790372292 /nfs/dbraw/zinc/37/22/92/790372292.db2.gz KDFHVNIARZVIKV-NWDGAFQWSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001184618961 790372306 /nfs/dbraw/zinc/37/23/06/790372306.db2.gz KDFHVNIARZVIKV-VXGBXAGGSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001184618982 790373163 /nfs/dbraw/zinc/37/31/63/790373163.db2.gz KUCYHCUJJCGGGT-SNVBAGLBSA-N 1 0 333.414 -2.491 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1)C(N)=O ZINC001184618989 790372235 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342.396 -1.314 20 0 EAADRO COC[C@@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCOC1 ZINC001184639112 790373878 /nfs/dbraw/zinc/37/38/78/790373878.db2.gz XLAHIHSYIRSJSX-OCCSQVGLSA-N 1 0 349.453 -1.221 20 0 EAADRO COC[C@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCOC1 ZINC001184639117 790374732 /nfs/dbraw/zinc/37/47/32/790374732.db2.gz XLAHIHSYIRSJSX-TZMCWYRMSA-N 1 0 349.453 -1.221 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184676089 790374648 /nfs/dbraw/zinc/37/46/48/790374648.db2.gz YHYXNYXMCHEULX-NEPJUHHUSA-N 1 0 349.453 -1.393 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184676102 790374375 /nfs/dbraw/zinc/37/43/75/790374375.db2.gz YHYXNYXMCHEULX-NWDGAFQWSA-N 1 0 349.453 -1.393 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184676104 790374847 /nfs/dbraw/zinc/37/48/47/790374847.db2.gz YHYXNYXMCHEULX-RYUDHWBXSA-N 1 0 349.453 -1.393 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184676108 790374114 /nfs/dbraw/zinc/37/41/14/790374114.db2.gz YHYXNYXMCHEULX-VXGBXAGGSA-N 1 0 349.453 -1.393 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001184682289 790378076 /nfs/dbraw/zinc/37/80/76/790378076.db2.gz CLLPRVHPJPPPJG-NEPJUHHUSA-N 1 0 338.412 -1.598 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001184682290 790377126 /nfs/dbraw/zinc/37/71/26/790377126.db2.gz CLLPRVHPJPPPJG-NWDGAFQWSA-N 1 0 338.412 -1.598 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001184682291 790377784 /nfs/dbraw/zinc/37/77/84/790377784.db2.gz CLLPRVHPJPPPJG-RYUDHWBXSA-N 1 0 338.412 -1.598 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001184682292 790377885 /nfs/dbraw/zinc/37/78/85/790377885.db2.gz CLLPRVHPJPPPJG-VXGBXAGGSA-N 1 0 338.412 -1.598 20 0 EAADRO C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184684012 790376434 /nfs/dbraw/zinc/37/64/34/790376434.db2.gz LJSQAMLMDWLOGD-CMPLNLGQSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184684013 790377721 /nfs/dbraw/zinc/37/77/21/790377721.db2.gz LJSQAMLMDWLOGD-JQWIXIFHSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184684014 790377807 /nfs/dbraw/zinc/37/78/07/790377807.db2.gz LJSQAMLMDWLOGD-PWSUYJOCSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184684015 790378150 /nfs/dbraw/zinc/37/81/50/790378150.db2.gz LJSQAMLMDWLOGD-ZYHUDNBSSA-N 1 0 331.438 -1.019 20 0 EAADRO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184685215 790377362 /nfs/dbraw/zinc/37/73/62/790377362.db2.gz FPUGJCXOBIDCQU-LLVKDONJSA-N 1 0 336.396 -1.035 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184692488 790373842 /nfs/dbraw/zinc/37/38/42/790373842.db2.gz HBGHXFGMSYNLTR-CHWSQXEVSA-N 1 0 339.440 -1.680 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184692489 790375028 /nfs/dbraw/zinc/37/50/28/790375028.db2.gz HBGHXFGMSYNLTR-OLZOCXBDSA-N 1 0 339.440 -1.680 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184692490 790373936 /nfs/dbraw/zinc/37/39/36/790373936.db2.gz HBGHXFGMSYNLTR-QWHCGFSZSA-N 1 0 339.440 -1.680 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184692491 790374259 /nfs/dbraw/zinc/37/42/59/790374259.db2.gz HBGHXFGMSYNLTR-STQMWFEESA-N 1 0 339.440 -1.680 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C[NH2+]CCO ZINC001184693716 790375550 /nfs/dbraw/zinc/37/55/50/790375550.db2.gz SUTLKZGWOGGDFA-KBPBESRZSA-N 1 0 326.441 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C[NH2+]CCO ZINC001184693717 790374911 /nfs/dbraw/zinc/37/49/11/790374911.db2.gz SUTLKZGWOGGDFA-KGLIPLIRSA-N 1 0 326.441 -1.173 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C[NH2+]CCO ZINC001184693718 790375256 /nfs/dbraw/zinc/37/52/56/790375256.db2.gz SUTLKZGWOGGDFA-UONOGXRCSA-N 1 0 326.441 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C[NH2+]CCO ZINC001184693719 790377662 /nfs/dbraw/zinc/37/76/62/790377662.db2.gz SUTLKZGWOGGDFA-ZIAGYGMSSA-N 1 0 326.441 -1.173 20 0 EAADRO O=C(c1cnco1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001184694859 790376972 /nfs/dbraw/zinc/37/69/72/790376972.db2.gz VNBQVQJHFXIRBQ-GHMZBOCLSA-N 1 0 336.348 -1.011 20 0 EAADRO O=C(c1cnco1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001184694860 790376987 /nfs/dbraw/zinc/37/69/87/790376987.db2.gz VNBQVQJHFXIRBQ-MNOVXSKESA-N 1 0 336.348 -1.011 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](C[NH2+]CCCO)[C@@H](C)C1 ZINC001184700810 790378136 /nfs/dbraw/zinc/37/81/36/790378136.db2.gz GACWDRUMQZUZRJ-GXTWGEPZSA-N 1 0 342.440 -1.305 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCCO)[C@@H](C)C1 ZINC001184700811 790376915 /nfs/dbraw/zinc/37/69/15/790376915.db2.gz GACWDRUMQZUZRJ-JSGCOSHPSA-N 1 0 342.440 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/nfs/dbraw/zinc/37/70/68/790377068.db2.gz GCPSJDHRZMHMPU-TZMCWYRMSA-N 1 0 342.440 -1.041 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184701306 790376516 /nfs/dbraw/zinc/37/65/16/790376516.db2.gz KEJSYBUSJUGEQI-CMPLNLGQSA-N 1 0 341.412 -2.202 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184701307 790377080 /nfs/dbraw/zinc/37/70/80/790377080.db2.gz KEJSYBUSJUGEQI-JQWIXIFHSA-N 1 0 341.412 -2.202 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184701308 790377388 /nfs/dbraw/zinc/37/73/88/790377388.db2.gz KEJSYBUSJUGEQI-PWSUYJOCSA-N 1 0 341.412 -2.202 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184701309 790377317 /nfs/dbraw/zinc/37/73/17/790377317.db2.gz KEJSYBUSJUGEQI-ZYHUDNBSSA-N 1 0 341.412 -2.202 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCO)[C@@H](C)C1 ZINC001184701811 790377343 /nfs/dbraw/zinc/37/73/43/790377343.db2.gz OMCXSRIPWPTVFV-AAEUAGOBSA-N 1 0 328.413 -1.695 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](C[NH2+]CCO)[C@H](C)C1 ZINC001184701812 790377794 /nfs/dbraw/zinc/37/77/94/790377794.db2.gz OMCXSRIPWPTVFV-DGCLKSJQSA-N 1 0 328.413 -1.695 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](C[NH2+]CCO)[C@@H](C)C1 ZINC001184701813 790377431 /nfs/dbraw/zinc/37/74/31/790377431.db2.gz OMCXSRIPWPTVFV-WCQYABFASA-N 1 0 328.413 -1.695 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001184701814 790376370 /nfs/dbraw/zinc/37/63/70/790376370.db2.gz OMCXSRIPWPTVFV-YPMHNXCESA-N 1 0 328.413 -1.695 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001184720103 790377531 /nfs/dbraw/zinc/37/75/31/790377531.db2.gz HBFMVNKNALXDOV-PSASIEDQSA-N 1 0 347.383 -1.368 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001184720104 790377941 /nfs/dbraw/zinc/37/79/41/790377941.db2.gz HBFMVNKNALXDOV-WCBMZHEXSA-N 1 0 347.383 -1.368 20 0 EAADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)nn1-c1nc[nH]n1 ZINC001184720174 790377227 /nfs/dbraw/zinc/37/72/27/790377227.db2.gz LDPUYLFROLBQBC-SNVBAGLBSA-N 1 0 347.383 -1.414 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001184721099 790377023 /nfs/dbraw/zinc/37/70/23/790377023.db2.gz VDLNMOFRBPVDJP-SECBINFHSA-N 1 0 333.356 -1.756 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001184721640 790378033 /nfs/dbraw/zinc/37/80/33/790378033.db2.gz ZZPUVEGBKORPBS-SNVBAGLBSA-N 1 0 347.383 -1.366 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001184724830 790376556 /nfs/dbraw/zinc/37/65/56/790376556.db2.gz PMKRRGPAAJYFEV-NXEZZACHSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001184724843 790377324 /nfs/dbraw/zinc/37/73/24/790377324.db2.gz PMKRRGPAAJYFEV-UWVGGRQHSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001184724847 790377735 /nfs/dbraw/zinc/37/77/35/790377735.db2.gz PMKRRGPAAJYFEV-VHSXEESVSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001184724851 790376756 /nfs/dbraw/zinc/37/67/56/790376756.db2.gz PMKRRGPAAJYFEV-ZJUUUORDSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nc(C)no2)C1 ZINC001184730725 790377503 /nfs/dbraw/zinc/37/75/03/790377503.db2.gz GFUVNVIKPDFCRE-SNVBAGLBSA-N 1 0 338.368 -1.043 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184745861 790376820 /nfs/dbraw/zinc/37/68/20/790376820.db2.gz FLZCURGLQBZSTF-GHMZBOCLSA-N 1 0 337.380 -1.492 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184745867 790377354 /nfs/dbraw/zinc/37/73/54/790377354.db2.gz FLZCURGLQBZSTF-MNOVXSKESA-N 1 0 337.380 -1.492 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184745869 790378220 /nfs/dbraw/zinc/37/82/20/790378220.db2.gz FLZCURGLQBZSTF-QWRGUYRKSA-N 1 0 337.380 -1.492 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184745872 790377707 /nfs/dbraw/zinc/37/77/07/790377707.db2.gz FLZCURGLQBZSTF-WDEREUQCSA-N 1 0 337.380 -1.492 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184746005 790377447 /nfs/dbraw/zinc/37/74/47/790377447.db2.gz GPFBNCYXFUXWPW-NEPJUHHUSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCNC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184746007 790377285 /nfs/dbraw/zinc/37/72/85/790377285.db2.gz GPFBNCYXFUXWPW-NWDGAFQWSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCCNC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184746008 790377462 /nfs/dbraw/zinc/37/74/62/790377462.db2.gz GPFBNCYXFUXWPW-RYUDHWBXSA-N 1 0 325.413 -1.039 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184746009 790377569 /nfs/dbraw/zinc/37/75/69/790377569.db2.gz GPFBNCYXFUXWPW-VXGBXAGGSA-N 1 0 325.413 -1.039 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001184754929 790377472 /nfs/dbraw/zinc/37/74/72/790377472.db2.gz FKJZBCQMRYXPJH-GFCCVEGCSA-N 1 0 346.391 -1.177 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184755088 790376387 /nfs/dbraw/zinc/37/63/87/790376387.db2.gz HZHSTYDTICURFZ-CYBMUJFWSA-N 1 0 349.391 -1.305 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001184755543 790377172 /nfs/dbraw/zinc/37/71/72/790377172.db2.gz RQEAZJDWVXFVGS-GFCCVEGCSA-N 1 0 346.391 -1.225 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001184755806 790377000 /nfs/dbraw/zinc/37/70/00/790377000.db2.gz ZACBKXGQRYDGAJ-CHWSQXEVSA-N 1 0 349.391 -1.306 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001184755807 790377010 /nfs/dbraw/zinc/37/70/10/790377010.db2.gz ZACBKXGQRYDGAJ-OLZOCXBDSA-N 1 0 349.391 -1.306 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001184755812 790376403 /nfs/dbraw/zinc/37/64/03/790376403.db2.gz ZDHMYWDHOPAFJC-LLVKDONJSA-N 1 0 332.364 -1.568 20 0 EAADRO C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184762741 790376443 /nfs/dbraw/zinc/37/64/43/790376443.db2.gz GQUBSOOJMALTKK-NXEZZACHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184762746 790376707 /nfs/dbraw/zinc/37/67/07/790376707.db2.gz GQUBSOOJMALTKK-VHSXEESVSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184763304 790376835 /nfs/dbraw/zinc/37/68/35/790376835.db2.gz QVXQBKHWDDFLBJ-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001184763347 790377831 /nfs/dbraw/zinc/37/78/31/790377831.db2.gz SVEDFBUVMBERMZ-NWDGAFQWSA-N 1 0 346.391 -1.179 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001184763348 790376676 /nfs/dbraw/zinc/37/66/76/790376676.db2.gz SVEDFBUVMBERMZ-VXGBXAGGSA-N 1 0 346.391 -1.179 20 0 EAADRO Cc1n[nH]c(=O)c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1C ZINC001184771453 790377200 /nfs/dbraw/zinc/37/72/00/790377200.db2.gz FGDLUJTZSGEJPC-SECBINFHSA-N 1 0 336.352 -1.202 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001184777658 790378237 /nfs/dbraw/zinc/37/82/37/790378237.db2.gz ASDAUOAJGWSYNP-SNVBAGLBSA-N 1 0 335.368 -1.095 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001184778054 790376928 /nfs/dbraw/zinc/37/69/28/790376928.db2.gz FLJVFFHMCLDNHG-SNVBAGLBSA-N 1 0 330.414 -1.191 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001184778535 790376477 /nfs/dbraw/zinc/37/64/77/790376477.db2.gz MPDCSHZMVJKEID-NEPJUHHUSA-N 1 0 336.396 -1.099 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccccc2C(N)=O)C1 ZINC001184779443 790377673 /nfs/dbraw/zinc/37/76/73/790377673.db2.gz YDLFFWIQHFYODF-LLVKDONJSA-N 1 0 347.375 -1.287 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)c1=O ZINC001184784098 790380184 /nfs/dbraw/zinc/38/01/84/790380184.db2.gz AONJPSJRTGLJBN-LLVKDONJSA-N 1 0 349.391 -1.184 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn3cccnc23)C1 ZINC001184784167 790378672 /nfs/dbraw/zinc/37/86/72/790378672.db2.gz CBOMVCLDEQJINZ-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001184784218 790378723 /nfs/dbraw/zinc/37/87/23/790378723.db2.gz DJCXDLGNNNZESX-NEPJUHHUSA-N 1 0 327.385 -1.059 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001184784221 790380519 /nfs/dbraw/zinc/38/05/19/790380519.db2.gz DJCXDLGNNNZESX-VXGBXAGGSA-N 1 0 327.385 -1.059 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn3cccnc23)C1 ZINC001184784506 790380674 /nfs/dbraw/zinc/38/06/74/790380674.db2.gz HOWUWCLBEUEPNA-SECBINFHSA-N 1 0 331.336 -1.272 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1=O ZINC001184784548 790380367 /nfs/dbraw/zinc/38/03/67/790380367.db2.gz JTNHQNQNJLRRDN-SSDOTTSWSA-N 1 0 338.324 -2.515 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001184785077 790378877 /nfs/dbraw/zinc/37/88/77/790378877.db2.gz SAGGWJSKAONAMY-SNVBAGLBSA-N 1 0 330.414 -1.143 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001184785233 790379926 /nfs/dbraw/zinc/37/99/26/790379926.db2.gz VAQPWNWPGLWHDL-SNVBAGLBSA-N 1 0 335.368 -1.141 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)c1=O ZINC001184785465 790380724 /nfs/dbraw/zinc/38/07/24/790380724.db2.gz YDGMGQHACBERMZ-SNVBAGLBSA-N 1 0 326.353 -1.701 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184792216 790380350 /nfs/dbraw/zinc/38/03/50/790380350.db2.gz DXWATZFDCXNEMW-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184792217 790380493 /nfs/dbraw/zinc/38/04/93/790380493.db2.gz DXWATZFDCXNEMW-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001184792432 790380593 /nfs/dbraw/zinc/38/05/93/790380593.db2.gz NNQZXFVPYDGEJJ-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001184792446 790378784 /nfs/dbraw/zinc/37/87/84/790378784.db2.gz NNQZXFVPYDGEJJ-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)c1=O ZINC001184792564 790378938 /nfs/dbraw/zinc/37/89/38/790378938.db2.gz QBNQEEGYQWAIBM-LLVKDONJSA-N 1 0 349.391 -1.184 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184792566 790379870 /nfs/dbraw/zinc/37/98/70/790379870.db2.gz QELNBKGASKDRPE-NXEZZACHSA-N 1 0 325.369 -1.617 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184792567 790378557 /nfs/dbraw/zinc/37/85/57/790378557.db2.gz QELNBKGASKDRPE-ZJUUUORDSA-N 1 0 325.369 -1.617 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)c1=O ZINC001184792581 790379570 /nfs/dbraw/zinc/37/95/70/790379570.db2.gz QYMYQWFKZBBEOS-SNVBAGLBSA-N 1 0 335.364 -1.431 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)c1=O ZINC001184792649 790379391 /nfs/dbraw/zinc/37/93/91/790379391.db2.gz SPJXKBKKMWYKJN-SECBINFHSA-N 1 0 344.393 -1.665 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001184799498 790379056 /nfs/dbraw/zinc/37/90/56/790379056.db2.gz AHORWHVGDSBMFJ-SECBINFHSA-N 1 0 332.324 -1.877 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001184799849 790379011 /nfs/dbraw/zinc/37/90/11/790379011.db2.gz HNPNXOAQAHTPHB-LLVKDONJSA-N 1 0 338.393 -1.027 20 0 EAADRO COc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184799876 790380769 /nfs/dbraw/zinc/38/07/69/790380769.db2.gz IOBOKENFPDBXEZ-SNVBAGLBSA-N 1 0 345.425 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001184800282 790380638 /nfs/dbraw/zinc/38/06/38/790380638.db2.gz SWSIZNBLFNNKBT-SNVBAGLBSA-N 1 0 346.351 -1.616 20 0 EAADRO Cn1cnc2cc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)cnc21 ZINC001184800427 790380251 /nfs/dbraw/zinc/38/02/51/790380251.db2.gz WAKBPKWFMUIYCV-SNVBAGLBSA-N 1 0 345.363 -1.033 20 0 EAADRO COc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001184800510 790380039 /nfs/dbraw/zinc/38/00/39/790380039.db2.gz ZORJTXAWBGMMOE-DTWKUNHWSA-N 1 0 338.368 -1.184 20 0 EAADRO COc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001184800511 790380296 /nfs/dbraw/zinc/38/02/96/790380296.db2.gz ZORJTXAWBGMMOE-RKDXNWHRSA-N 1 0 338.368 -1.184 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1)C(=O)NC(N)=O ZINC001184807069 790378279 /nfs/dbraw/zinc/37/82/79/790378279.db2.gz RSUGMBSZAFBYBW-PSASIEDQSA-N 1 0 346.351 -1.488 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1)C(=O)NC(N)=O ZINC001184807070 790377860 /nfs/dbraw/zinc/37/78/60/790377860.db2.gz RSUGMBSZAFBYBW-WCBMZHEXSA-N 1 0 346.351 -1.488 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001184807204 790377980 /nfs/dbraw/zinc/37/79/80/790377980.db2.gz YPBNQISUZQATHT-SECBINFHSA-N 1 0 338.368 -1.312 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814772 790380065 /nfs/dbraw/zinc/38/00/65/790380065.db2.gz BIWVFMSDAQGEGH-GFCCVEGCSA-N 1 0 325.413 -1.913 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814783 790378587 /nfs/dbraw/zinc/37/85/87/790378587.db2.gz CDLYOUUORURCFX-GFCCVEGCSA-N 1 0 339.440 -1.477 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814817 790378473 /nfs/dbraw/zinc/37/84/73/790378473.db2.gz DOHGUXYBDYKYFA-LLVKDONJSA-N 1 0 347.441 -2.842 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814972 790379359 /nfs/dbraw/zinc/37/93/59/790379359.db2.gz GVUNYGPVPMXKLO-LLVKDONJSA-N 1 0 332.426 -2.347 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)NCC1CC1 ZINC001184814981 790380423 /nfs/dbraw/zinc/38/04/23/790380423.db2.gz HKJHEOFBJXMMMM-CYBMUJFWSA-N 1 0 337.424 -1.865 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815038 790380093 /nfs/dbraw/zinc/38/00/93/790380093.db2.gz IXMGLHMRGOWYGL-CYBMUJFWSA-N 1 0 339.440 -1.619 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815040 790379180 /nfs/dbraw/zinc/37/91/80/790379180.db2.gz IZBIVJPDUUMPKG-CYBMUJFWSA-N 1 0 328.413 -1.728 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815116 790380696 /nfs/dbraw/zinc/38/06/96/790380696.db2.gz JPAXARLHCHAUEG-CYBMUJFWSA-N 1 0 339.440 -1.525 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815118 790379460 /nfs/dbraw/zinc/37/94/60/790379460.db2.gz JRLOIUPZWMQOKY-CHWSQXEVSA-N 1 0 339.440 -1.477 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815119 790380386 /nfs/dbraw/zinc/38/03/86/790380386.db2.gz JRLOIUPZWMQOKY-QWHCGFSZSA-N 1 0 339.440 -1.477 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C1CC1 ZINC001184815144 790380007 /nfs/dbraw/zinc/38/00/07/790380007.db2.gz KNSLBYVUKHQXKG-GFCCVEGCSA-N 1 0 337.424 -1.771 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815158 790379958 /nfs/dbraw/zinc/37/99/58/790379958.db2.gz LOZDZOQLUWLRHD-SECBINFHSA-N 1 0 326.357 -3.196 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(=O)NC(N)=O ZINC001184815179 790378853 /nfs/dbraw/zinc/37/88/53/790378853.db2.gz MGTZSYJWVVJZSA-NXEZZACHSA-N 1 0 340.384 -2.808 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(=O)NC(N)=O ZINC001184815180 790380476 /nfs/dbraw/zinc/38/04/76/790380476.db2.gz MGTZSYJWVVJZSA-VHSXEESVSA-N 1 0 340.384 -2.808 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815184 790380273 /nfs/dbraw/zinc/38/02/73/790380273.db2.gz MNURWNPCAANNQP-CYBMUJFWSA-N 1 0 339.440 -1.475 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001184815211 790379194 /nfs/dbraw/zinc/37/91/94/790379194.db2.gz NNFUSYXGRJNSAM-CHWSQXEVSA-N 1 0 339.440 -1.347 20 0 EAADRO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001184815212 790379800 /nfs/dbraw/zinc/37/98/00/790379800.db2.gz NNFUSYXGRJNSAM-OLZOCXBDSA-N 1 0 339.440 -1.347 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001184815221 790378607 /nfs/dbraw/zinc/37/86/07/790378607.db2.gz NWEDZNPXIUCFFT-LLVKDONJSA-N 1 0 334.367 -1.110 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815287 790378501 /nfs/dbraw/zinc/37/85/01/790378501.db2.gz QLFNLUQXSXVCFE-GFCCVEGCSA-N 1 0 325.413 -1.867 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815290 790379446 /nfs/dbraw/zinc/37/94/46/790379446.db2.gz QQIGIJGIVDBNIS-GFCCVEGCSA-N 1 0 346.453 -1.957 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815315 790380114 /nfs/dbraw/zinc/38/01/14/790380114.db2.gz SGQHYKPINXYUBG-CHWSQXEVSA-N 1 0 339.440 -1.477 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815316 790379038 /nfs/dbraw/zinc/37/90/38/790379038.db2.gz SGQHYKPINXYUBG-QWHCGFSZSA-N 1 0 339.440 -1.477 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815335 790380198 /nfs/dbraw/zinc/38/01/98/790380198.db2.gz TVHOAYHZSDSTNF-GFCCVEGCSA-N 1 0 325.413 -1.865 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001184815408 790379242 /nfs/dbraw/zinc/37/92/42/790379242.db2.gz WHARLFUTZRLAOH-CYBMUJFWSA-N 1 0 337.424 -1.865 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815413 790379984 /nfs/dbraw/zinc/37/99/84/790379984.db2.gz WLBXPSLTPAKINV-CYBMUJFWSA-N 1 0 339.440 -1.523 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(=O)NC1CC1 ZINC001184815430 790380448 /nfs/dbraw/zinc/38/04/48/790380448.db2.gz WTVUSYVFVOIRAH-DGCLKSJQSA-N 1 0 337.424 -1.724 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(=O)NC1CC1 ZINC001184815432 790379517 /nfs/dbraw/zinc/37/95/17/790379517.db2.gz WTVUSYVFVOIRAH-WCQYABFASA-N 1 0 337.424 -1.724 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(=O)N(C)C ZINC001184815448 790380792 /nfs/dbraw/zinc/38/07/92/790380792.db2.gz XQRSABGUEFEOCT-NWDGAFQWSA-N 1 0 325.413 -1.915 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(=O)N(C)C ZINC001184815449 790379132 /nfs/dbraw/zinc/37/91/32/790379132.db2.gz XQRSABGUEFEOCT-VXGBXAGGSA-N 1 0 325.413 -1.915 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815482 790380403 /nfs/dbraw/zinc/38/04/03/790380403.db2.gz YMHKMNADGSGJMH-SNVBAGLBSA-N 1 0 340.384 -2.936 20 0 EAADRO CCC[C@@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001184824976 790378916 /nfs/dbraw/zinc/37/89/16/790378916.db2.gz AZYXZBCFALFKGS-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CCC[C@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001184824977 790379154 /nfs/dbraw/zinc/37/91/54/790379154.db2.gz AZYXZBCFALFKGS-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001184833643 790379119 /nfs/dbraw/zinc/37/91/19/790379119.db2.gz HRVLDYDCKQIWBF-GHMZBOCLSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001184833644 790380665 /nfs/dbraw/zinc/38/06/65/790380665.db2.gz HRVLDYDCKQIWBF-MNOVXSKESA-N 1 0 337.380 -1.745 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184833709 790381361 /nfs/dbraw/zinc/38/13/61/790381361.db2.gz KAXAFGVFWNFBAK-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184833710 790382247 /nfs/dbraw/zinc/38/22/47/790382247.db2.gz KAXAFGVFWNFBAK-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184834061 790382624 /nfs/dbraw/zinc/38/26/24/790382624.db2.gz PFIYCZVUILIQPE-SECBINFHSA-N 1 0 338.368 -1.225 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n(C)n1 ZINC001184834066 790382046 /nfs/dbraw/zinc/38/20/46/790382046.db2.gz PJWOSONACFDCMN-NEPJUHHUSA-N 1 0 348.407 -1.006 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n(C)n1 ZINC001184834067 790382320 /nfs/dbraw/zinc/38/23/20/790382320.db2.gz PJWOSONACFDCMN-VXGBXAGGSA-N 1 0 348.407 -1.006 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184834445 790382898 /nfs/dbraw/zinc/38/28/98/790382898.db2.gz WTUUJJDFKOMYTA-CHWSQXEVSA-N 1 0 326.397 -1.534 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184834454 790381832 /nfs/dbraw/zinc/38/18/32/790381832.db2.gz WTUUJJDFKOMYTA-OLZOCXBDSA-N 1 0 326.397 -1.534 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184834655 790382000 /nfs/dbraw/zinc/38/20/00/790382000.db2.gz ZKKCMYAKVZCSLC-GHMZBOCLSA-N 1 0 332.426 -1.748 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184834657 790382725 /nfs/dbraw/zinc/38/27/25/790382725.db2.gz ZKKCMYAKVZCSLC-MNOVXSKESA-N 1 0 332.426 -1.748 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)NC1=O ZINC001184840462 790381516 /nfs/dbraw/zinc/38/15/16/790381516.db2.gz CDZHDJVXKNXVLH-GHMZBOCLSA-N 1 0 332.426 -1.365 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)NC1=O ZINC001184840471 790381917 /nfs/dbraw/zinc/38/19/17/790381917.db2.gz CDZHDJVXKNXVLH-MNOVXSKESA-N 1 0 332.426 -1.365 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184840937 790382384 /nfs/dbraw/zinc/38/23/84/790382384.db2.gz GWRKVBWFCDYHBI-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184840947 790381635 /nfs/dbraw/zinc/38/16/35/790381635.db2.gz GWRKVBWFCDYHBI-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184841196 790381372 /nfs/dbraw/zinc/38/13/72/790381372.db2.gz IWYQDZXGYNWLDV-NEPJUHHUSA-N 1 0 340.428 -1.092 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184841197 790382748 /nfs/dbraw/zinc/38/27/48/790382748.db2.gz IWYQDZXGYNWLDV-VXGBXAGGSA-N 1 0 340.428 -1.092 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1)S(C)(=O)=O ZINC001184841202 790382187 /nfs/dbraw/zinc/38/21/87/790382187.db2.gz IYONNMFEVZSRIP-SNVBAGLBSA-N 1 0 345.425 -1.179 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1)S(C)(=O)=O ZINC001184841486 790381476 /nfs/dbraw/zinc/38/14/76/790381476.db2.gz KIUVLOVIYIHKHL-GHMZBOCLSA-N 1 0 347.441 -1.908 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1)S(C)(=O)=O ZINC001184841487 790382838 /nfs/dbraw/zinc/38/28/38/790382838.db2.gz KIUVLOVIYIHKHL-MNOVXSKESA-N 1 0 347.441 -1.908 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184841868 790381897 /nfs/dbraw/zinc/38/18/97/790381897.db2.gz OFOLYAIFCNCSFB-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184841869 790382908 /nfs/dbraw/zinc/38/29/08/790382908.db2.gz OFOLYAIFCNCSFB-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184842171 790381347 /nfs/dbraw/zinc/38/13/47/790381347.db2.gz PKLUZTJPARSQSO-NEPJUHHUSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184842172 790381271 /nfs/dbraw/zinc/38/12/71/790381271.db2.gz PKLUZTJPARSQSO-VXGBXAGGSA-N 1 0 342.396 -1.046 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)NC1=O ZINC001184842177 790382021 /nfs/dbraw/zinc/38/20/21/790382021.db2.gz PNTCCVUFJGYJJC-NXEZZACHSA-N 1 0 333.414 -2.250 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)NC1=O ZINC001184842178 790381137 /nfs/dbraw/zinc/38/11/37/790381137.db2.gz PNTCCVUFJGYJJC-ZJUUUORDSA-N 1 0 333.414 -2.250 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001184842234 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TXNFXJPYHHEOPS-MNOVXSKESA-N 1 0 347.441 -1.860 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184842660 790381869 /nfs/dbraw/zinc/38/18/69/790381869.db2.gz UINQYTALHSKTTR-NXEZZACHSA-N 1 0 340.384 -1.954 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184842662 790381688 /nfs/dbraw/zinc/38/16/88/790381688.db2.gz UINQYTALHSKTTR-ZJUUUORDSA-N 1 0 340.384 -1.954 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184842770 790381713 /nfs/dbraw/zinc/38/17/13/790381713.db2.gz VQTFNDFTZTVSQS-NEPJUHHUSA-N 1 0 325.413 -1.027 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184842771 790381189 /nfs/dbraw/zinc/38/11/89/790381189.db2.gz VQTFNDFTZTVSQS-VXGBXAGGSA-N 1 0 325.413 -1.027 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184843122 790382613 /nfs/dbraw/zinc/38/26/13/790382613.db2.gz YNVZKEJPPHBORS-CHWSQXEVSA-N 1 0 341.412 -1.647 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184843124 790383001 /nfs/dbraw/zinc/38/30/01/790383001.db2.gz YNVZKEJPPHBORS-OLZOCXBDSA-N 1 0 341.412 -1.647 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184843135 790381593 /nfs/dbraw/zinc/38/15/93/790381593.db2.gz YROAMVQJRHXZPA-BDAKNGLRSA-N 1 0 326.357 -2.344 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184843137 790381548 /nfs/dbraw/zinc/38/15/48/790381548.db2.gz YROAMVQJRHXZPA-RKDXNWHRSA-N 1 0 326.357 -2.344 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184843184 790382225 /nfs/dbraw/zinc/38/22/25/790382225.db2.gz ZXTOQPVAYPOSHG-NWDGAFQWSA-N 1 0 328.413 -1.159 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184843185 790382368 /nfs/dbraw/zinc/38/23/68/790382368.db2.gz ZXTOQPVAYPOSHG-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184849768 790379211 /nfs/dbraw/zinc/37/92/11/790379211.db2.gz MHTPNBVCDFVKFZ-SNVBAGLBSA-N 1 0 345.425 -1.131 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184849885 790380570 /nfs/dbraw/zinc/38/05/70/790380570.db2.gz OBCVTRLTALOUGJ-DTWKUNHWSA-N 1 0 338.368 -1.226 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184849886 790380140 /nfs/dbraw/zinc/38/01/40/790380140.db2.gz OBCVTRLTALOUGJ-RKDXNWHRSA-N 1 0 338.368 -1.226 20 0 EAADRO Cn1c(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)c[nH]c1=O ZINC001184849941 790380318 /nfs/dbraw/zinc/38/03/18/790380318.db2.gz QEOOQDKRPMXLOP-SECBINFHSA-N 1 0 331.398 -1.521 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)NC1=O ZINC001184850105 790380163 /nfs/dbraw/zinc/38/01/63/790380163.db2.gz UALPHADQJJXUJP-NXEZZACHSA-N 1 0 336.352 -1.173 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)NC1=O ZINC001184850116 790379902 /nfs/dbraw/zinc/37/99/02/790379902.db2.gz UALPHADQJJXUJP-ZJUUUORDSA-N 1 0 336.352 -1.173 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)Nc1cnccn1 ZINC001184858210 790382467 /nfs/dbraw/zinc/38/24/67/790382467.db2.gz GJKLPEGWDGDCPE-GHMZBOCLSA-N 1 0 332.364 -1.258 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)Nc1cnccn1 ZINC001184858211 790382647 /nfs/dbraw/zinc/38/26/47/790382647.db2.gz GJKLPEGWDGDCPE-MNOVXSKESA-N 1 0 332.364 -1.258 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858279 790381252 /nfs/dbraw/zinc/38/12/52/790381252.db2.gz KFLKSIWMOFTGGE-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858280 790382125 /nfs/dbraw/zinc/38/21/25/790382125.db2.gz KFLKSIWMOFTGGE-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858430 790383029 /nfs/dbraw/zinc/38/30/29/790383029.db2.gz KZPOZQAWMRZUMD-NEPJUHHUSA-N 1 0 326.397 -1.534 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858431 790382494 /nfs/dbraw/zinc/38/24/94/790382494.db2.gz KZPOZQAWMRZUMD-VXGBXAGGSA-N 1 0 326.397 -1.534 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)Nc1nncs1 ZINC001184858436 790382853 /nfs/dbraw/zinc/38/28/53/790382853.db2.gz LGUDHAXUWQFQKE-BDAKNGLRSA-N 1 0 338.393 -1.197 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)Nc1nncs1 ZINC001184858437 790382805 /nfs/dbraw/zinc/38/28/05/790382805.db2.gz LGUDHAXUWQFQKE-RKDXNWHRSA-N 1 0 338.393 -1.197 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001184858442 790382112 /nfs/dbraw/zinc/38/21/12/790382112.db2.gz LQIIMZIUKDHOAD-AGIUHOORSA-N 1 0 338.408 -1.704 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001184858443 790383014 /nfs/dbraw/zinc/38/30/14/790383014.db2.gz LQIIMZIUKDHOAD-FRRDWIJNSA-N 1 0 338.408 -1.704 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)NCC(F)(F)F ZINC001184858493 790382282 /nfs/dbraw/zinc/38/22/82/790382282.db2.gz NDFHTIPRSIYTNW-BDAKNGLRSA-N 1 0 336.314 -1.009 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)NCC(F)(F)F ZINC001184858497 790382959 /nfs/dbraw/zinc/38/29/59/790382959.db2.gz NDFHTIPRSIYTNW-RKDXNWHRSA-N 1 0 336.314 -1.009 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858560 790382664 /nfs/dbraw/zinc/38/26/64/790382664.db2.gz OMADJAYEUYDMJA-NXEZZACHSA-N 1 0 325.369 -1.841 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858562 790382570 /nfs/dbraw/zinc/38/25/70/790382570.db2.gz OMADJAYEUYDMJA-ZJUUUORDSA-N 1 0 325.369 -1.841 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858598 790381499 /nfs/dbraw/zinc/38/14/99/790381499.db2.gz PEJUGMUJNXEILT-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858798 790381394 /nfs/dbraw/zinc/38/13/94/790381394.db2.gz PEJUGMUJNXEILT-MNOVXSKESA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)NC1CCOCC1 ZINC001184859103 790381927 /nfs/dbraw/zinc/38/19/27/790381927.db2.gz VOOPRZBCRFQRQR-CHWSQXEVSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)NC1CCOCC1 ZINC001184859110 790381087 /nfs/dbraw/zinc/38/10/87/790381087.db2.gz VOOPRZBCRFQRQR-OLZOCXBDSA-N 1 0 338.408 -1.392 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001184859137 790381060 /nfs/dbraw/zinc/38/10/60/790381060.db2.gz WDUFZQYOKLHZNB-GHMZBOCLSA-N 1 0 332.426 -1.796 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001184859140 790382151 /nfs/dbraw/zinc/38/21/51/790382151.db2.gz WDUFZQYOKLHZNB-MNOVXSKESA-N 1 0 332.426 -1.796 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)NC(=O)NC1CC1 ZINC001184859152 790381028 /nfs/dbraw/zinc/38/10/28/790381028.db2.gz WPEJAGGSUYVLPY-GHMZBOCLSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)NC(=O)NC1CC1 ZINC001184859155 790381953 /nfs/dbraw/zinc/38/19/53/790381953.db2.gz WPEJAGGSUYVLPY-MNOVXSKESA-N 1 0 337.380 -1.699 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184859168 790381118 /nfs/dbraw/zinc/38/11/18/790381118.db2.gz WZAVCEQXDRMMGO-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184859169 790381212 /nfs/dbraw/zinc/38/12/12/790381212.db2.gz WZAVCEQXDRMMGO-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184867094 790380978 /nfs/dbraw/zinc/38/09/78/790380978.db2.gz ALOVIYDQSNFGRJ-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184867095 790382340 /nfs/dbraw/zinc/38/23/40/790382340.db2.gz ALOVIYDQSNFGRJ-WDEREUQCSA-N 1 0 341.412 -1.076 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184867394 790381166 /nfs/dbraw/zinc/38/11/66/790381166.db2.gz DTQDKYBDADSVAQ-NWDGAFQWSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184867395 790381847 /nfs/dbraw/zinc/38/18/47/790381847.db2.gz DTQDKYBDADSVAQ-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001184867436 790382088 /nfs/dbraw/zinc/38/20/88/790382088.db2.gz GSZADNAXAQJOCR-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001184867438 790381567 /nfs/dbraw/zinc/38/15/67/790381567.db2.gz GSZADNAXAQJOCR-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001184867485 790381977 /nfs/dbraw/zinc/38/19/77/790381977.db2.gz ISIJQHHNKJVMFP-GXSJLCMTSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001184867486 790381002 /nfs/dbraw/zinc/38/10/02/790381002.db2.gz ISIJQHHNKJVMFP-MWLCHTKSSA-N 1 0 339.396 -1.323 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184868586 790381415 /nfs/dbraw/zinc/38/14/15/790381415.db2.gz XTFJQIWZHOVGHU-NXEZZACHSA-N 1 0 327.385 -1.466 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184868587 790381322 /nfs/dbraw/zinc/38/13/22/790381322.db2.gz XTFJQIWZHOVGHU-VHSXEESVSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001184868614 790382256 /nfs/dbraw/zinc/38/22/56/790382256.db2.gz YCPQNPZQYAITEV-NWDGAFQWSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001184868617 790381780 /nfs/dbraw/zinc/38/17/80/790381780.db2.gz YCPQNPZQYAITEV-VXGBXAGGSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001184868867 790381527 /nfs/dbraw/zinc/38/15/27/790381527.db2.gz ZTUKNMPURXQSDZ-GHMZBOCLSA-N 1 0 339.396 -2.353 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001184868870 790382688 /nfs/dbraw/zinc/38/26/88/790382688.db2.gz ZTUKNMPURXQSDZ-WDEREUQCSA-N 1 0 339.396 -2.353 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCOC)[C@H](C)C1 ZINC001184871469 790381312 /nfs/dbraw/zinc/38/13/12/790381312.db2.gz FRLKMPKIMWCWHN-NEPJUHHUSA-N 1 0 336.458 -1.239 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CCOC)[C@@H](C)C1 ZINC001184871470 790381226 /nfs/dbraw/zinc/38/12/26/790381226.db2.gz FRLKMPKIMWCWHN-NWDGAFQWSA-N 1 0 336.458 -1.239 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCOC)[C@@H](C)C1 ZINC001184871471 790382986 /nfs/dbraw/zinc/38/29/86/790382986.db2.gz FRLKMPKIMWCWHN-RYUDHWBXSA-N 1 0 336.458 -1.239 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CCOC)[C@H](C)C1 ZINC001184871472 790381384 /nfs/dbraw/zinc/38/13/84/790381384.db2.gz FRLKMPKIMWCWHN-VXGBXAGGSA-N 1 0 336.458 -1.239 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184871825 790381613 /nfs/dbraw/zinc/38/16/13/790381613.db2.gz HPFBWCDZRFRZEM-NEPJUHHUSA-N 1 0 338.412 -1.469 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184871826 790382784 /nfs/dbraw/zinc/38/27/84/790382784.db2.gz HPFBWCDZRFRZEM-NWDGAFQWSA-N 1 0 338.412 -1.469 20 0 EAADRO C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001184871827 790382597 /nfs/dbraw/zinc/38/25/97/790382597.db2.gz HPFBWCDZRFRZEM-RYUDHWBXSA-N 1 0 338.412 -1.469 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184871828 790382794 /nfs/dbraw/zinc/38/27/94/790382794.db2.gz HPFBWCDZRFRZEM-VXGBXAGGSA-N 1 0 338.412 -1.469 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001184872499 790381765 /nfs/dbraw/zinc/38/17/65/790381765.db2.gz MHFCMEXVYAEJBI-GHMZBOCLSA-N 1 0 349.457 -2.140 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001184872500 790382173 /nfs/dbraw/zinc/38/21/73/790382173.db2.gz MHFCMEXVYAEJBI-MNOVXSKESA-N 1 0 349.457 -2.140 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C ZINC001184872501 790384003 /nfs/dbraw/zinc/38/40/03/790384003.db2.gz MHFCMEXVYAEJBI-QWRGUYRKSA-N 1 0 349.457 -2.140 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C ZINC001184872502 790384211 /nfs/dbraw/zinc/38/42/11/790384211.db2.gz MHFCMEXVYAEJBI-WDEREUQCSA-N 1 0 349.457 -2.140 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184872531 790383408 /nfs/dbraw/zinc/38/34/08/790383408.db2.gz MRWTUYZLJQNXCY-NXEZZACHSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184872532 790384584 /nfs/dbraw/zinc/38/45/84/790384584.db2.gz MRWTUYZLJQNXCY-UWVGGRQHSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184872533 790383583 /nfs/dbraw/zinc/38/35/83/790383583.db2.gz MRWTUYZLJQNXCY-VHSXEESVSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184872534 790383324 /nfs/dbraw/zinc/38/33/24/790383324.db2.gz MRWTUYZLJQNXCY-ZJUUUORDSA-N 1 0 335.430 -2.400 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001184872733 790383312 /nfs/dbraw/zinc/38/33/12/790383312.db2.gz OIGXHFSTKXHTSV-NEPJUHHUSA-N 1 0 336.458 -1.503 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CCCO)[C@@H](C)C1 ZINC001184872734 790383803 /nfs/dbraw/zinc/38/38/03/790383803.db2.gz OIGXHFSTKXHTSV-NWDGAFQWSA-N 1 0 336.458 -1.503 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[NH2+]CCCO)[C@@H](C)C1 ZINC001184872735 790384482 /nfs/dbraw/zinc/38/44/82/790384482.db2.gz OIGXHFSTKXHTSV-RYUDHWBXSA-N 1 0 336.458 -1.503 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001184872736 790385052 /nfs/dbraw/zinc/38/50/52/790385052.db2.gz OIGXHFSTKXHTSV-VXGBXAGGSA-N 1 0 336.458 -1.503 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184876109 790384777 /nfs/dbraw/zinc/38/47/77/790384777.db2.gz FDYSIPZAFMBBAF-DGCLKSJQSA-N 1 0 328.413 -1.159 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184876110 790384200 /nfs/dbraw/zinc/38/42/00/790384200.db2.gz FDYSIPZAFMBBAF-WCQYABFASA-N 1 0 328.413 -1.159 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001184876561 790384037 /nfs/dbraw/zinc/38/40/37/790384037.db2.gz KHAFAOCRSCXLFA-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001184876562 790384644 /nfs/dbraw/zinc/38/46/44/790384644.db2.gz KHAFAOCRSCXLFA-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001184876571 790383422 /nfs/dbraw/zinc/38/34/22/790383422.db2.gz KOLHFBXRUDJCKO-NWDGAFQWSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001184876572 790383991 /nfs/dbraw/zinc/38/39/91/790383991.db2.gz KOLHFBXRUDJCKO-VXGBXAGGSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001184876808 790384085 /nfs/dbraw/zinc/38/40/85/790384085.db2.gz NBRWSFGZYZQDBZ-GHMZBOCLSA-N 1 0 334.442 -1.420 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001184876812 790383970 /nfs/dbraw/zinc/38/39/70/790383970.db2.gz NBRWSFGZYZQDBZ-WDEREUQCSA-N 1 0 334.442 -1.420 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001184877023 790384187 /nfs/dbraw/zinc/38/41/87/790384187.db2.gz OXXCLRBFITUQEA-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001184877024 790385034 /nfs/dbraw/zinc/38/50/34/790385034.db2.gz OXXCLRBFITUQEA-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184877027 790384909 /nfs/dbraw/zinc/38/49/09/790384909.db2.gz OYZHILZPUIVBMA-GHMZBOCLSA-N 1 0 334.442 -1.372 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184877028 790383277 /nfs/dbraw/zinc/38/32/77/790383277.db2.gz OYZHILZPUIVBMA-WDEREUQCSA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001184877644 790384045 /nfs/dbraw/zinc/38/40/45/790384045.db2.gz WGPOIAVICQPOBL-UPJWGTAASA-N 1 0 340.424 -1.328 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001184877646 790383922 /nfs/dbraw/zinc/38/39/22/790383922.db2.gz WGPOIAVICQPOBL-XQQFMLRXSA-N 1 0 340.424 -1.328 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184914455 790383651 /nfs/dbraw/zinc/38/36/51/790383651.db2.gz VTCUTDAPCRULIF-PSASIEDQSA-N 1 0 337.384 -1.004 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184914459 790383497 /nfs/dbraw/zinc/38/34/97/790383497.db2.gz VTCUTDAPCRULIF-SCZZXKLOSA-N 1 0 337.384 -1.004 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184914460 790384452 /nfs/dbraw/zinc/38/44/52/790384452.db2.gz VTCUTDAPCRULIF-WCBMZHEXSA-N 1 0 337.384 -1.004 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184914461 790383889 /nfs/dbraw/zinc/38/38/89/790383889.db2.gz VTCUTDAPCRULIF-WPRPVWTQSA-N 1 0 337.384 -1.004 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001184923386 790384569 /nfs/dbraw/zinc/38/45/69/790384569.db2.gz MMPOADSIGWONFP-CHWSQXEVSA-N 1 0 339.440 -1.762 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001184923387 790384345 /nfs/dbraw/zinc/38/43/45/790384345.db2.gz MMPOADSIGWONFP-OLZOCXBDSA-N 1 0 339.440 -1.762 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001184923388 790384958 /nfs/dbraw/zinc/38/49/58/790384958.db2.gz MMPOADSIGWONFP-QWHCGFSZSA-N 1 0 339.440 -1.762 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001184923389 790383565 /nfs/dbraw/zinc/38/35/65/790383565.db2.gz MMPOADSIGWONFP-STQMWFEESA-N 1 0 339.440 -1.762 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)n1 ZINC001184923591 790384933 /nfs/dbraw/zinc/38/49/33/790384933.db2.gz AEVBXXUQUMXGTL-SECBINFHSA-N 1 0 336.356 -1.998 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184923686 790383622 /nfs/dbraw/zinc/38/36/22/790383622.db2.gz BYKUIEXBFZMWJM-SECBINFHSA-N 1 0 338.372 -1.750 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)n1 ZINC001184923741 790384308 /nfs/dbraw/zinc/38/43/08/790384308.db2.gz CXROLRSNOZFHSC-SECBINFHSA-N 1 0 331.340 -1.557 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)on1 ZINC001184923766 790384838 /nfs/dbraw/zinc/38/48/38/790384838.db2.gz DPQVIHKSTQVYDH-SECBINFHSA-N 1 0 334.340 -1.051 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)S(C)(=O)=O ZINC001184924056 790383676 /nfs/dbraw/zinc/38/36/76/790383676.db2.gz FZSOHQSWZJIMAM-SECBINFHSA-N 1 0 331.402 -2.094 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)n1 ZINC001184924133 790383769 /nfs/dbraw/zinc/38/37/69/790383769.db2.gz JAHHDSPXCNXTRR-SSDOTTSWSA-N 1 0 335.290 -1.307 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184924160 790383611 /nfs/dbraw/zinc/38/36/11/790383611.db2.gz RCYJBDSWUUDZHF-NEPJUHHUSA-N 1 0 325.413 -2.022 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184924161 790384892 /nfs/dbraw/zinc/38/48/92/790384892.db2.gz RCYJBDSWUUDZHF-NWDGAFQWSA-N 1 0 325.413 -2.022 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184924162 790383856 /nfs/dbraw/zinc/38/38/56/790383856.db2.gz RCYJBDSWUUDZHF-RYUDHWBXSA-N 1 0 325.413 -2.022 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184924163 790385018 /nfs/dbraw/zinc/38/50/18/790385018.db2.gz RCYJBDSWUUDZHF-VXGBXAGGSA-N 1 0 325.413 -2.022 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)n1 ZINC001184924347 790384398 /nfs/dbraw/zinc/38/43/98/790384398.db2.gz JLGLXXYCMIEJNS-MNOVXSKESA-N 1 0 337.384 -2.003 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)no1 ZINC001184924366 790383435 /nfs/dbraw/zinc/38/34/35/790383435.db2.gz JVWMWTXQUUUBCM-SECBINFHSA-N 1 0 334.340 -1.051 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)n1 ZINC001184924406 790383366 /nfs/dbraw/zinc/38/33/66/790383366.db2.gz KQNXZEJJQXOTDS-SSDOTTSWSA-N 1 0 337.369 -1.496 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)n1 ZINC001184924498 790384668 /nfs/dbraw/zinc/38/46/68/790384668.db2.gz LWCOTAYQSUCWKD-GHMZBOCLSA-N 1 0 337.384 -1.691 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)n1 ZINC001184924506 790384130 /nfs/dbraw/zinc/38/41/30/790384130.db2.gz LWCOTAYQSUCWKD-MNOVXSKESA-N 1 0 337.384 -1.691 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924804 790384633 /nfs/dbraw/zinc/38/46/33/790384633.db2.gz OAGWBTPVFFTRJO-GHMZBOCLSA-N 1 0 328.373 -1.962 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924808 790384868 /nfs/dbraw/zinc/38/48/68/790384868.db2.gz OAGWBTPVFFTRJO-MNOVXSKESA-N 1 0 328.373 -1.962 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)n1 ZINC001184924988 790384998 /nfs/dbraw/zinc/38/49/98/790384998.db2.gz QDZWYUVZRVZGAP-SNVBAGLBSA-N 1 0 333.352 -1.076 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)n1 ZINC001184925159 790383758 /nfs/dbraw/zinc/38/37/58/790383758.db2.gz QWNZYTVCOMCYGC-SNVBAGLBSA-N 1 0 342.425 -1.161 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925304 790383542 /nfs/dbraw/zinc/38/35/42/790383542.db2.gz SFPGJAWLSWZKOC-SNVBAGLBSA-N 1 0 325.373 -1.833 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925311 790384243 /nfs/dbraw/zinc/38/42/43/790384243.db2.gz SFQONXJSUBYYFY-SNVBAGLBSA-N 1 0 325.373 -1.833 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)n1 ZINC001184925314 790383944 /nfs/dbraw/zinc/38/39/44/790383944.db2.gz SGVVTNRVLXVJPQ-LLVKDONJSA-N 1 0 337.384 -1.691 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(=O)Nc1ncccn1 ZINC001184925377 790383811 /nfs/dbraw/zinc/38/38/11/790383811.db2.gz ULDCTKGCWCBECM-NXEZZACHSA-N 1 0 345.367 -1.169 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(=O)Nc1ncccn1 ZINC001184925388 790384746 /nfs/dbraw/zinc/38/47/46/790384746.db2.gz ULDCTKGCWCBECM-VHSXEESVSA-N 1 0 345.367 -1.169 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925553 790384598 /nfs/dbraw/zinc/38/45/98/790384598.db2.gz VKWLUJOXSIJCOK-DTWKUNHWSA-N 1 0 338.372 -1.752 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925554 790384415 /nfs/dbraw/zinc/38/44/15/790384415.db2.gz VKWLUJOXSIJCOK-RKDXNWHRSA-N 1 0 338.372 -1.752 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)n1 ZINC001184925603 790384971 /nfs/dbraw/zinc/38/49/71/790384971.db2.gz XADVPROGOHCWSI-GFCCVEGCSA-N 1 0 344.379 -1.274 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925806 790383388 /nfs/dbraw/zinc/38/33/88/790383388.db2.gz YBWAVTJKJIRZCR-LLVKDONJSA-N 1 0 325.373 -1.833 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925813 790384107 /nfs/dbraw/zinc/38/41/07/790384107.db2.gz YKTAROLHOWXWHP-SNVBAGLBSA-N 1 0 345.429 -1.656 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C[NH2+]CCCO ZINC001184934362 790384282 /nfs/dbraw/zinc/38/42/82/790384282.db2.gz PXHAHDFDYOMIHO-KBPBESRZSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C[NH2+]CCCO ZINC001184934363 790384520 /nfs/dbraw/zinc/38/45/20/790384520.db2.gz PXHAHDFDYOMIHO-KGLIPLIRSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C[NH2+]CCCO ZINC001184934364 790384823 /nfs/dbraw/zinc/38/48/23/790384823.db2.gz PXHAHDFDYOMIHO-UONOGXRCSA-N 1 0 326.441 -1.125 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C[NH2+]CCCO ZINC001184934365 790384619 /nfs/dbraw/zinc/38/46/19/790384619.db2.gz PXHAHDFDYOMIHO-ZIAGYGMSSA-N 1 0 326.441 -1.125 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)S(C)(=O)=O ZINC001184943555 790385817 /nfs/dbraw/zinc/38/58/17/790385817.db2.gz BTUQJSVELASJSR-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184943597 790385375 /nfs/dbraw/zinc/38/53/75/790385375.db2.gz DBFWSOWKMRPZNZ-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184943818 790385317 /nfs/dbraw/zinc/38/53/17/790385317.db2.gz HDBBLHBZNYSGQR-AXFHLTTASA-N 1 0 339.396 -1.358 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184943822 790385760 /nfs/dbraw/zinc/38/57/60/790385760.db2.gz HDBBLHBZNYSGQR-MXWKQRLJSA-N 1 0 339.396 -1.358 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)C(=O)NC(N)=O ZINC001184944012 790385226 /nfs/dbraw/zinc/38/52/26/790385226.db2.gz IVPNZRJJMHYGFD-AEJSXWLSSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)C(=O)NC(N)=O ZINC001184944013 790385389 /nfs/dbraw/zinc/38/53/89/790385389.db2.gz IVPNZRJJMHYGFD-BBBLOLIVSA-N 1 0 325.369 -1.619 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184944273 790385300 /nfs/dbraw/zinc/38/53/00/790385300.db2.gz PGKVEOMPPPAGIJ-MCIONIFRSA-N 1 0 343.424 -1.178 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184944274 790385309 /nfs/dbraw/zinc/38/53/09/790385309.db2.gz PGKVEOMPPPAGIJ-RDBSUJKOSA-N 1 0 343.424 -1.178 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184944560 790385893 /nfs/dbraw/zinc/38/58/93/790385893.db2.gz SGPXYZIGTSLQPD-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184944918 790385651 /nfs/dbraw/zinc/38/56/51/790385651.db2.gz VOQVARVETQZHHZ-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001184955315 790384122 /nfs/dbraw/zinc/38/41/22/790384122.db2.gz DHUHJCRPJKSJJA-GHMZBOCLSA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001184955318 790384332 /nfs/dbraw/zinc/38/43/32/790384332.db2.gz DHUHJCRPJKSJJA-MNOVXSKESA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001184955320 790383868 /nfs/dbraw/zinc/38/38/68/790383868.db2.gz DHUHJCRPJKSJJA-QWRGUYRKSA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001184955322 790383962 /nfs/dbraw/zinc/38/39/62/790383962.db2.gz DHUHJCRPJKSJJA-WDEREUQCSA-N 1 0 344.441 -1.058 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CCOCCO ZINC001184955809 790383842 /nfs/dbraw/zinc/38/38/42/790383842.db2.gz IPOKHGSCWXFIAF-NEPJUHHUSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CCOCCO ZINC001184955810 790383482 /nfs/dbraw/zinc/38/34/82/790383482.db2.gz IPOKHGSCWXFIAF-NWDGAFQWSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CCOCCO ZINC001184955811 790384549 /nfs/dbraw/zinc/38/45/49/790384549.db2.gz IPOKHGSCWXFIAF-RYUDHWBXSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CCOCCO ZINC001184955812 790384878 /nfs/dbraw/zinc/38/48/78/790384878.db2.gz IPOKHGSCWXFIAF-VXGBXAGGSA-N 1 0 326.401 -1.093 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184956767 790384026 /nfs/dbraw/zinc/38/40/26/790384026.db2.gz SKSYUWJCFVWPJJ-BDAKNGLRSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184956768 790383724 /nfs/dbraw/zinc/38/37/24/790383724.db2.gz SKSYUWJCFVWPJJ-DTWKUNHWSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184956769 790384536 /nfs/dbraw/zinc/38/45/36/790384536.db2.gz SKSYUWJCFVWPJJ-IUCAKERBSA-N 1 0 338.372 -1.907 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001184956770 790384658 /nfs/dbraw/zinc/38/46/58/790384658.db2.gz SKSYUWJCFVWPJJ-RKDXNWHRSA-N 1 0 338.372 -1.907 20 0 EAADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184961789 790385424 /nfs/dbraw/zinc/38/54/24/790385424.db2.gz GIHOZZPVNQPQEZ-SNVBAGLBSA-N 1 0 330.414 -1.161 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)n1 ZINC001184961943 790385541 /nfs/dbraw/zinc/38/55/41/790385541.db2.gz KQJZKRKAVLVUMX-GHMZBOCLSA-N 1 0 337.384 -1.833 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)n1 ZINC001184961944 790385674 /nfs/dbraw/zinc/38/56/74/790385674.db2.gz KQJZKRKAVLVUMX-WDEREUQCSA-N 1 0 337.384 -1.833 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)CS(C)(=O)=O ZINC001184961978 790385591 /nfs/dbraw/zinc/38/55/91/790385591.db2.gz LKBSVHVGWQPCSK-NXEZZACHSA-N 1 0 330.414 -1.305 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)CS(C)(=O)=O ZINC001184961981 790385363 /nfs/dbraw/zinc/38/53/63/790385363.db2.gz LKBSVHVGWQPCSK-VHSXEESVSA-N 1 0 330.414 -1.305 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184962106 790385625 /nfs/dbraw/zinc/38/56/25/790385625.db2.gz OWCATFJKQJSDED-SNVBAGLBSA-N 1 0 347.383 -1.007 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n(C)n1 ZINC001184962255 790385254 /nfs/dbraw/zinc/38/52/54/790385254.db2.gz UDRMOOPXIDJXAB-SNVBAGLBSA-N 1 0 347.383 -1.305 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)n1 ZINC001184962275 790385343 /nfs/dbraw/zinc/38/53/43/790385343.db2.gz VFTQYCBMFQNYNB-SECBINFHSA-N 1 0 336.356 -2.044 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184962424 790385472 /nfs/dbraw/zinc/38/54/72/790385472.db2.gz WKAFUOJYXRGTKS-SECBINFHSA-N 1 0 331.402 -2.047 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184962438 790385847 /nfs/dbraw/zinc/38/58/47/790385847.db2.gz WVJCGBGXJQGVBZ-GHMZBOCLSA-N 1 0 339.400 -1.445 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184962439 790385277 /nfs/dbraw/zinc/38/52/77/790385277.db2.gz WVJCGBGXJQGVBZ-WDEREUQCSA-N 1 0 339.400 -1.445 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184962486 790385492 /nfs/dbraw/zinc/38/54/92/790385492.db2.gz ZAYBBKHDUZBECV-SNVBAGLBSA-N 1 0 345.429 -1.704 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184981086 790385563 /nfs/dbraw/zinc/38/55/63/790385563.db2.gz DSVPJDXUCPCHPF-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184981089 790385781 /nfs/dbraw/zinc/38/57/81/790385781.db2.gz DUGFFQDBRWDYJR-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184981371 790385737 /nfs/dbraw/zinc/38/57/37/790385737.db2.gz JTOYCPXPSZVFMQ-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184983007 790385701 /nfs/dbraw/zinc/38/57/01/790385701.db2.gz XMOCLZZEHUXMCS-ZJUUUORDSA-N 1 0 325.369 -1.747 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)S(C)(=O)=O ZINC001185007088 790385440 /nfs/dbraw/zinc/38/54/40/790385440.db2.gz KPQCIAKRRUNUGX-NDBYEHHHSA-N 1 0 331.438 -1.039 20 0 EAADRO C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185040079 790387392 /nfs/dbraw/zinc/38/73/92/790387392.db2.gz LMPWMUKIYLPCLU-WDEREUQCSA-N 1 0 334.442 -1.385 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040136 790387436 /nfs/dbraw/zinc/38/74/36/790387436.db2.gz LZLUMZOCVOZTNQ-NXEZZACHSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040137 790386444 /nfs/dbraw/zinc/38/64/44/790386444.db2.gz LZLUMZOCVOZTNQ-UWVGGRQHSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040138 790386386 /nfs/dbraw/zinc/38/63/86/790386386.db2.gz LZLUMZOCVOZTNQ-VHSXEESVSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040139 790387768 /nfs/dbraw/zinc/38/77/68/790387768.db2.gz LZLUMZOCVOZTNQ-ZJUUUORDSA-N 1 0 327.385 -1.608 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040160 790387304 /nfs/dbraw/zinc/38/73/04/790387304.db2.gz MGGBHFABJHQSHQ-AAEUAGOBSA-N 1 0 328.413 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040161 790387691 /nfs/dbraw/zinc/38/76/91/790387691.db2.gz MGGBHFABJHQSHQ-DGCLKSJQSA-N 1 0 328.413 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040162 790386883 /nfs/dbraw/zinc/38/68/83/790386883.db2.gz MGGBHFABJHQSHQ-WCQYABFASA-N 1 0 328.413 -1.301 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040163 790387001 /nfs/dbraw/zinc/38/70/01/790387001.db2.gz MGGBHFABJHQSHQ-YPMHNXCESA-N 1 0 328.413 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040560 790386062 /nfs/dbraw/zinc/38/60/62/790386062.db2.gz PANIMZHRXSDYID-NEPJUHHUSA-N 1 0 328.413 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040561 790386238 /nfs/dbraw/zinc/38/62/38/790386238.db2.gz PANIMZHRXSDYID-NWDGAFQWSA-N 1 0 328.413 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040562 790387123 /nfs/dbraw/zinc/38/71/23/790387123.db2.gz PANIMZHRXSDYID-RYUDHWBXSA-N 1 0 328.413 -1.301 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040563 790387036 /nfs/dbraw/zinc/38/70/36/790387036.db2.gz PANIMZHRXSDYID-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185040568 790387777 /nfs/dbraw/zinc/38/77/77/790387777.db2.gz PEPFADFRGBPCMD-NXEZZACHSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185040569 790387451 /nfs/dbraw/zinc/38/74/51/790387451.db2.gz PEPFADFRGBPCMD-UWVGGRQHSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185040570 790386685 /nfs/dbraw/zinc/38/66/85/790386685.db2.gz PEPFADFRGBPCMD-VHSXEESVSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185040571 790386722 /nfs/dbraw/zinc/38/67/22/790386722.db2.gz PEPFADFRGBPCMD-ZJUUUORDSA-N 1 0 339.396 -1.479 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040884 790387532 /nfs/dbraw/zinc/38/75/32/790387532.db2.gz RLPNVAGMLHJXFF-GHMZBOCLSA-N 1 0 341.412 -1.218 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040885 790387758 /nfs/dbraw/zinc/38/77/58/790387758.db2.gz RLPNVAGMLHJXFF-MNOVXSKESA-N 1 0 341.412 -1.218 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040886 790386977 /nfs/dbraw/zinc/38/69/77/790386977.db2.gz RLPNVAGMLHJXFF-QWRGUYRKSA-N 1 0 341.412 -1.218 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040887 790387546 /nfs/dbraw/zinc/38/75/46/790387546.db2.gz RLPNVAGMLHJXFF-WDEREUQCSA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185041565 790386122 /nfs/dbraw/zinc/38/61/22/790386122.db2.gz FPWGJWMHMXTONO-NXEZZACHSA-N 1 0 325.369 -1.889 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001185041566 790387217 /nfs/dbraw/zinc/38/72/17/790387217.db2.gz FPWGJWMHMXTONO-ZJUUUORDSA-N 1 0 325.369 -1.889 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1)S(C)(=O)=O ZINC001185041891 790387195 /nfs/dbraw/zinc/38/71/95/790387195.db2.gz JLICHVSDXMEUCG-NEPJUHHUSA-N 1 0 346.453 -1.453 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1)S(C)(=O)=O ZINC001185041912 790386311 /nfs/dbraw/zinc/38/63/11/790386311.db2.gz JLICHVSDXMEUCG-VXGBXAGGSA-N 1 0 346.453 -1.453 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185041921 790387631 /nfs/dbraw/zinc/38/76/31/790387631.db2.gz JPLAMOCMJYDIIX-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001185041923 790386787 /nfs/dbraw/zinc/38/67/87/790386787.db2.gz JPLAMOCMJYDIIX-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185041928 790387282 /nfs/dbraw/zinc/38/72/82/790387282.db2.gz JWJKMXPBDHMCTE-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001185041936 790387462 /nfs/dbraw/zinc/38/74/62/790387462.db2.gz JWJKMXPBDHMCTE-MNOVXSKESA-N 1 0 339.396 -1.499 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185042294 790387234 /nfs/dbraw/zinc/38/72/34/790387234.db2.gz LKXRICQNZLQBLU-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001185042296 790387100 /nfs/dbraw/zinc/38/71/00/790387100.db2.gz LKXRICQNZLQBLU-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001185042800 790386832 /nfs/dbraw/zinc/38/68/32/790386832.db2.gz XPQIHMLKTRQCFD-NXEZZACHSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001185042803 790387881 /nfs/dbraw/zinc/38/78/81/790387881.db2.gz XPQIHMLKTRQCFD-UWVGGRQHSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001185042805 790387322 /nfs/dbraw/zinc/38/73/22/790387322.db2.gz XPQIHMLKTRQCFD-VHSXEESVSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001185042806 790386773 /nfs/dbraw/zinc/38/67/73/790386773.db2.gz XPQIHMLKTRQCFD-ZJUUUORDSA-N 1 0 339.396 -1.466 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185042815 790386948 /nfs/dbraw/zinc/38/69/48/790386948.db2.gz XRTJZHBHDIHSHI-NEPJUHHUSA-N 1 0 328.413 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185042816 790387264 /nfs/dbraw/zinc/38/72/64/790387264.db2.gz XRTJZHBHDIHSHI-NWDGAFQWSA-N 1 0 328.413 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185042818 790387175 /nfs/dbraw/zinc/38/71/75/790387175.db2.gz XRTJZHBHDIHSHI-RYUDHWBXSA-N 1 0 328.413 -1.301 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185042820 790387077 /nfs/dbraw/zinc/38/70/77/790387077.db2.gz XRTJZHBHDIHSHI-VXGBXAGGSA-N 1 0 328.413 -1.301 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185042980 790386907 /nfs/dbraw/zinc/38/69/07/790386907.db2.gz ZUZVZGVJQZCFSL-NEPJUHHUSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185042981 790386826 /nfs/dbraw/zinc/38/68/26/790386826.db2.gz ZUZVZGVJQZCFSL-NWDGAFQWSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185042982 790387837 /nfs/dbraw/zinc/38/78/37/790387837.db2.gz ZUZVZGVJQZCFSL-RYUDHWBXSA-N 1 0 348.469 -1.125 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185042983 790386921 /nfs/dbraw/zinc/38/69/21/790386921.db2.gz ZUZVZGVJQZCFSL-VXGBXAGGSA-N 1 0 348.469 -1.125 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC(=O)NC1 ZINC001185078247 790386251 /nfs/dbraw/zinc/38/62/51/790386251.db2.gz MPGYOLWCQTVGJL-BXUZGUMPSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC(=O)NC1 ZINC001185078248 790387811 /nfs/dbraw/zinc/38/78/11/790387811.db2.gz MPGYOLWCQTVGJL-RISCZKNCSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC(=O)NC1 ZINC001185078697 790386699 /nfs/dbraw/zinc/38/66/99/790386699.db2.gz SPCKMZGNYARMBU-OTYXRUKQSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC(=O)NC1 ZINC001185078698 790387500 /nfs/dbraw/zinc/38/75/00/790387500.db2.gz SPCKMZGNYARMBU-YMTOWFKASA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001185079002 790386086 /nfs/dbraw/zinc/38/60/86/790386086.db2.gz XYCSZNOBMWTULT-BMIGLBTASA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001185079004 790387600 /nfs/dbraw/zinc/38/76/00/790387600.db2.gz XYCSZNOBMWTULT-MEBBXXQBSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001185082703 790387011 /nfs/dbraw/zinc/38/70/11/790387011.db2.gz BWVCLNUFQVDISS-SECBINFHSA-N 1 0 336.352 -1.250 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185083896 790387709 /nfs/dbraw/zinc/38/77/09/790387709.db2.gz MZGMWBIXOIORGT-SNVBAGLBSA-N 1 0 343.409 -1.156 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001185085670 790386849 /nfs/dbraw/zinc/38/68/49/790386849.db2.gz WZBGHODHIQVLPI-DTWKUNHWSA-N 1 0 336.352 -1.122 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001185085673 790387411 /nfs/dbraw/zinc/38/74/11/790387411.db2.gz WZBGHODHIQVLPI-RKDXNWHRSA-N 1 0 336.352 -1.122 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)S(C)(=O)=O ZINC001185109093 790386802 /nfs/dbraw/zinc/38/68/02/790386802.db2.gz BTUQJSVELASJSR-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109119 790387896 /nfs/dbraw/zinc/38/78/96/790387896.db2.gz DBFWSOWKMRPZNZ-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109149 790386525 /nfs/dbraw/zinc/38/65/25/790386525.db2.gz DSVPJDXUCPCHPF-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109152 790386414 /nfs/dbraw/zinc/38/64/14/790386414.db2.gz DUGFFQDBRWDYJR-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109406 790386210 /nfs/dbraw/zinc/38/62/10/790386210.db2.gz HDBBLHBZNYSGQR-GMTAPVOTSA-N 1 0 339.396 -1.358 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109407 790387666 /nfs/dbraw/zinc/38/76/66/790387666.db2.gz HDBBLHBZNYSGQR-HBNTYKKESA-N 1 0 339.396 -1.358 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)C(=O)NC(N)=O ZINC001185109447 790386289 /nfs/dbraw/zinc/38/62/89/790386289.db2.gz IVPNZRJJMHYGFD-IVZWLZJFSA-N 1 0 325.369 -1.619 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)C(=O)NC(N)=O ZINC001185109448 790386656 /nfs/dbraw/zinc/38/66/56/790386656.db2.gz IVPNZRJJMHYGFD-OPRDCNLKSA-N 1 0 325.369 -1.619 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109807 790387354 /nfs/dbraw/zinc/38/73/54/790387354.db2.gz JTOYCPXPSZVFMQ-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185110224 790386275 /nfs/dbraw/zinc/38/62/75/790386275.db2.gz PGKVEOMPPPAGIJ-HZSPNIEDSA-N 1 0 343.424 -1.178 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185110225 790386933 /nfs/dbraw/zinc/38/69/33/790386933.db2.gz PGKVEOMPPPAGIJ-MGPQQGTHSA-N 1 0 343.424 -1.178 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185110286 790386749 /nfs/dbraw/zinc/38/67/49/790386749.db2.gz SGPXYZIGTSLQPD-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185110447 790386367 /nfs/dbraw/zinc/38/63/67/790386367.db2.gz VOQVARVETQZHHZ-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185110600 790386343 /nfs/dbraw/zinc/38/63/43/790386343.db2.gz XMOCLZZEHUXMCS-NXEZZACHSA-N 1 0 325.369 -1.747 20 0 EAADRO CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185119517 790387845 /nfs/dbraw/zinc/38/78/45/790387845.db2.gz FEXJZJDCWQLXLP-MNOVXSKESA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C[NH2+]CCO ZINC001185129454 790386183 /nfs/dbraw/zinc/38/61/83/790386183.db2.gz NZSATIFUENWYMB-NXEZZACHSA-N 1 0 345.425 -1.263 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C[NH2+]CCO ZINC001185129464 790387588 /nfs/dbraw/zinc/38/75/88/790387588.db2.gz NZSATIFUENWYMB-UWVGGRQHSA-N 1 0 345.425 -1.263 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C[NH2+]CCO ZINC001185129467 790386150 /nfs/dbraw/zinc/38/61/50/790386150.db2.gz NZSATIFUENWYMB-VHSXEESVSA-N 1 0 345.425 -1.263 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C[NH2+]CCO ZINC001185129469 790387484 /nfs/dbraw/zinc/38/74/84/790387484.db2.gz NZSATIFUENWYMB-ZJUUUORDSA-N 1 0 345.425 -1.263 20 0 EAADRO CC(C)N1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185137003 790388651 /nfs/dbraw/zinc/38/86/51/790388651.db2.gz PBKRHXBUMIRZKP-NEPJUHHUSA-N 1 0 341.412 -1.519 20 0 EAADRO CC(C)N1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185137004 790388932 /nfs/dbraw/zinc/38/89/32/790388932.db2.gz PBKRHXBUMIRZKP-VXGBXAGGSA-N 1 0 341.412 -1.519 20 0 EAADRO Cn1ncc2c1C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC2 ZINC001185158184 790390206 /nfs/dbraw/zinc/39/02/06/790390206.db2.gz OUCISXCIVJXOJB-CMPLNLGQSA-N 1 0 348.407 -1.090 20 0 EAADRO Cn1ncc2c1C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC2 ZINC001185158185 790390415 /nfs/dbraw/zinc/39/04/15/790390415.db2.gz OUCISXCIVJXOJB-ZYHUDNBSSA-N 1 0 348.407 -1.090 20 0 EAADRO Cn1nnc2c1C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC2 ZINC001185175026 790389851 /nfs/dbraw/zinc/38/98/51/790389851.db2.gz DKESWARHXCQRGF-NXEZZACHSA-N 1 0 349.395 -1.695 20 0 EAADRO Cn1nnc2c1C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC2 ZINC001185175027 790390064 /nfs/dbraw/zinc/39/00/64/790390064.db2.gz DKESWARHXCQRGF-VHSXEESVSA-N 1 0 349.395 -1.695 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001185175341 790389140 /nfs/dbraw/zinc/38/91/40/790389140.db2.gz IHSZJXCJHYUANQ-SSDOTTSWSA-N 1 0 347.335 -1.338 20 0 EAADRO NC(=O)Cc1occc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185182983 790388187 /nfs/dbraw/zinc/38/81/87/790388187.db2.gz ITVGSEVJFWFINK-MRVPVSSYSA-N 1 0 337.336 -1.694 20 0 EAADRO Cn1nnc2c1nccc2C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185184403 790389191 /nfs/dbraw/zinc/38/91/91/790389191.db2.gz YHCQCQJYVVZLJT-MRVPVSSYSA-N 1 0 346.351 -1.638 20 0 EAADRO Cn1cc(OCC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)cn1 ZINC001185189579 790388449 /nfs/dbraw/zinc/38/84/49/790388449.db2.gz GYXSDQHMZNIRQE-LLVKDONJSA-N 1 0 345.425 -1.461 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COc2cnn(C)c2)C1 ZINC001185190837 790388231 /nfs/dbraw/zinc/38/82/31/790388231.db2.gz UAXSFWSILDLWBU-SNVBAGLBSA-N 1 0 338.368 -1.555 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2cnn(C)c2)C1)C(=O)NC(N)=O ZINC001185191050 790390160 /nfs/dbraw/zinc/39/01/60/790390160.db2.gz XAZJDKVWAGRXEO-NXEZZACHSA-N 1 0 338.368 -1.427 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2cnn(C)c2)C1)C(=O)NC(N)=O ZINC001185191059 790389717 /nfs/dbraw/zinc/38/97/17/790389717.db2.gz XAZJDKVWAGRXEO-VHSXEESVSA-N 1 0 338.368 -1.427 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001185198915 790389166 /nfs/dbraw/zinc/38/91/66/790389166.db2.gz FZEGAIPJNZWDAK-BDAKNGLRSA-N 1 0 335.368 -1.390 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001185198918 790387980 /nfs/dbraw/zinc/38/79/80/790387980.db2.gz FZEGAIPJNZWDAK-RKDXNWHRSA-N 1 0 335.368 -1.390 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001185200245 790389641 /nfs/dbraw/zinc/38/96/41/790389641.db2.gz UYVJQEYFBDKNKM-NXEZZACHSA-N 1 0 349.395 -1.129 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001185200252 790388364 /nfs/dbraw/zinc/38/83/64/790388364.db2.gz UYVJQEYFBDKNKM-ZJUUUORDSA-N 1 0 349.395 -1.129 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185207033 790389029 /nfs/dbraw/zinc/38/90/29/790389029.db2.gz DEEDFZUPTDRPJX-DTWKUNHWSA-N 1 0 336.352 -1.582 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185207039 790390111 /nfs/dbraw/zinc/39/01/11/790390111.db2.gz DEEDFZUPTDRPJX-RKDXNWHRSA-N 1 0 336.352 -1.582 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)S(C)(=O)=O ZINC001185207089 790389788 /nfs/dbraw/zinc/38/97/88/790389788.db2.gz FILPNYZKSLBVKV-SNVBAGLBSA-N 1 0 343.409 -1.535 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)NC[C@@H]1CCOC1 ZINC001185208698 790388733 /nfs/dbraw/zinc/38/87/33/790388733.db2.gz OELPQFSYXDYKSL-NWDGAFQWSA-N 1 0 349.391 -1.273 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)NC[C@H]1CCOC1 ZINC001185208700 790389006 /nfs/dbraw/zinc/38/90/06/790389006.db2.gz OELPQFSYXDYKSL-VXGBXAGGSA-N 1 0 349.391 -1.273 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001185208780 790389773 /nfs/dbraw/zinc/38/97/73/790389773.db2.gz RBZXZLPXRWQODH-NEPJUHHUSA-N 1 0 349.391 -1.443 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001185208783 790389456 /nfs/dbraw/zinc/38/94/56/790389456.db2.gz RKVRNATYOXTEOY-NEPJUHHUSA-N 1 0 332.364 -1.168 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001185208784 790388864 /nfs/dbraw/zinc/38/88/64/790388864.db2.gz RKVRNATYOXTEOY-VXGBXAGGSA-N 1 0 332.364 -1.168 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185208787 790389582 /nfs/dbraw/zinc/38/95/82/790389582.db2.gz RVSRMARWDSNYPP-LLVKDONJSA-N 1 0 337.380 -1.273 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)NC(=O)NC1CC1 ZINC001185208838 790389427 /nfs/dbraw/zinc/38/94/27/790389427.db2.gz SZYLILUORURGIH-SNVBAGLBSA-N 1 0 348.363 -1.438 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209338 790389468 /nfs/dbraw/zinc/38/94/68/790389468.db2.gz UVKLMLYTTLEUGE-LLVKDONJSA-N 1 0 337.380 -1.273 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)NC[C@@H]1CCCO1 ZINC001185209354 790388606 /nfs/dbraw/zinc/38/86/06/790388606.db2.gz VLXCKGDJZADWPB-NEPJUHHUSA-N 1 0 349.391 -1.131 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)NC[C@H]1CCCO1 ZINC001185209355 790388020 /nfs/dbraw/zinc/38/80/20/790388020.db2.gz VLXCKGDJZADWPB-VXGBXAGGSA-N 1 0 349.391 -1.131 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185209356 790389573 /nfs/dbraw/zinc/38/95/73/790389573.db2.gz VMIUYTPOOMOTPW-SNVBAGLBSA-N 1 0 348.363 -1.484 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)NC1CCOCC1 ZINC001185209366 790388055 /nfs/dbraw/zinc/38/80/55/790388055.db2.gz VWOVSEVXLMOULC-GFCCVEGCSA-N 1 0 349.391 -1.131 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209468 790388703 /nfs/dbraw/zinc/38/87/03/790388703.db2.gz XWCTTXAPXMLTSP-SECBINFHSA-N 1 0 336.352 -1.580 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209621 790388788 /nfs/dbraw/zinc/38/87/88/790388788.db2.gz ZDZNOCDYFHLKTD-SECBINFHSA-N 1 0 329.382 -1.877 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209627 790389114 /nfs/dbraw/zinc/38/91/14/790389114.db2.gz ZHZITSONPKHAPN-SNVBAGLBSA-N 1 0 343.409 -1.487 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209637 790388407 /nfs/dbraw/zinc/38/84/07/790388407.db2.gz ZOEAXSIRAHMXHD-NEPJUHHUSA-N 1 0 340.380 -1.402 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209638 790388212 /nfs/dbraw/zinc/38/82/12/790388212.db2.gz ZOEAXSIRAHMXHD-VXGBXAGGSA-N 1 0 340.380 -1.402 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209642 790389746 /nfs/dbraw/zinc/38/97/46/790389746.db2.gz ZOVZHNICUGUWER-GFCCVEGCSA-N 1 0 337.380 -1.273 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CCO ZINC001185213963 790389910 /nfs/dbraw/zinc/38/99/10/790389910.db2.gz FRRCVYUFDVCQJA-NEPJUHHUSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CCO ZINC001185213964 790389628 /nfs/dbraw/zinc/38/96/28/790389628.db2.gz FRRCVYUFDVCQJA-NWDGAFQWSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CCO ZINC001185213965 790389557 /nfs/dbraw/zinc/38/95/57/790389557.db2.gz FRRCVYUFDVCQJA-RYUDHWBXSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CCO ZINC001185213966 790390401 /nfs/dbraw/zinc/39/04/01/790390401.db2.gz FRRCVYUFDVCQJA-VXGBXAGGSA-N 1 0 336.458 -1.551 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185217944 790390228 /nfs/dbraw/zinc/39/02/28/790390228.db2.gz XROYJVKIYYTUQN-GHMZBOCLSA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185217949 790389976 /nfs/dbraw/zinc/38/99/76/790389976.db2.gz XROYJVKIYYTUQN-MNOVXSKESA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185217951 790389965 /nfs/dbraw/zinc/38/99/65/790389965.db2.gz XROYJVKIYYTUQN-QWRGUYRKSA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185217952 790388255 /nfs/dbraw/zinc/38/82/55/790388255.db2.gz XROYJVKIYYTUQN-WDEREUQCSA-N 1 0 349.457 -2.058 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH2+]CCO ZINC001185236542 790388631 /nfs/dbraw/zinc/38/86/31/790388631.db2.gz XEWUZXCKZBCTSQ-NEPJUHHUSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH2+]CCO ZINC001185236543 790388437 /nfs/dbraw/zinc/38/84/37/790388437.db2.gz XEWUZXCKZBCTSQ-NWDGAFQWSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH2+]CCO ZINC001185236544 790388882 /nfs/dbraw/zinc/38/88/82/790388882.db2.gz XEWUZXCKZBCTSQ-RYUDHWBXSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH2+]CCO ZINC001185236545 790390277 /nfs/dbraw/zinc/39/02/77/790390277.db2.gz XEWUZXCKZBCTSQ-VXGBXAGGSA-N 1 0 338.408 -1.236 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C[NH2+]CCO ZINC001185236802 790390049 /nfs/dbraw/zinc/39/00/49/790390049.db2.gz YEGLAWQFMIOIRG-CHWSQXEVSA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C[NH2+]CCO ZINC001185236805 790388774 /nfs/dbraw/zinc/38/87/74/790388774.db2.gz YEGLAWQFMIOIRG-OLZOCXBDSA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C[NH2+]CCO ZINC001185236806 790388388 /nfs/dbraw/zinc/38/83/88/790388388.db2.gz YEGLAWQFMIOIRG-QWHCGFSZSA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C[NH2+]CCO ZINC001185236811 790388993 /nfs/dbraw/zinc/38/89/93/790388993.db2.gz YEGLAWQFMIOIRG-STQMWFEESA-N 1 0 348.407 -1.043 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1C[NH2+]CCO ZINC001185245508 790388424 /nfs/dbraw/zinc/38/84/24/790388424.db2.gz FNZNVYVIRHGVCH-GHMZBOCLSA-N 1 0 340.380 -1.527 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1C[NH2+]CCO ZINC001185245544 790389888 /nfs/dbraw/zinc/38/98/88/790389888.db2.gz FNZNVYVIRHGVCH-MNOVXSKESA-N 1 0 340.380 -1.527 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1C[NH2+]CCO ZINC001185245545 790388046 /nfs/dbraw/zinc/38/80/46/790388046.db2.gz FNZNVYVIRHGVCH-QWRGUYRKSA-N 1 0 340.380 -1.527 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1C[NH2+]CCO ZINC001185245546 790390093 /nfs/dbraw/zinc/39/00/93/790390093.db2.gz FNZNVYVIRHGVCH-WDEREUQCSA-N 1 0 340.380 -1.527 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185249805 790390438 /nfs/dbraw/zinc/39/04/38/790390438.db2.gz BMFVFUXDTCLDES-BBRMVZONSA-N 1 0 337.424 -1.818 20 0 EAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185249806 790388566 /nfs/dbraw/zinc/38/85/66/790388566.db2.gz BMFVFUXDTCLDES-CJNGLKHVSA-N 1 0 337.424 -1.818 20 0 EAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185249807 790389819 /nfs/dbraw/zinc/38/98/19/790389819.db2.gz BMFVFUXDTCLDES-CZUORRHYSA-N 1 0 337.424 -1.818 20 0 EAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185249808 790389990 /nfs/dbraw/zinc/38/99/90/790389990.db2.gz BMFVFUXDTCLDES-XJKSGUPXSA-N 1 0 337.424 -1.818 20 0 EAADRO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250062 790389057 /nfs/dbraw/zinc/38/90/57/790389057.db2.gz CDQVTBRTHZFKQT-GFCCVEGCSA-N 1 0 335.412 -1.498 20 0 EAADRO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250065 790389923 /nfs/dbraw/zinc/38/99/23/790389923.db2.gz CDQVTBRTHZFKQT-LBPRGKRZSA-N 1 0 335.412 -1.498 20 0 EAADRO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001185251708 790388146 /nfs/dbraw/zinc/38/81/46/790388146.db2.gz ODFVNRGFFYISHT-AWEZNQCLSA-N 1 0 325.457 -1.099 20 0 EAADRO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001185251709 790392224 /nfs/dbraw/zinc/39/22/24/790392224.db2.gz ODFVNRGFFYISHT-CQSZACIVSA-N 1 0 325.457 -1.099 20 0 EAADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001185253202 790391443 /nfs/dbraw/zinc/39/14/43/790391443.db2.gz VXZREMGGNKTPSH-HNNXBMFYSA-N 1 0 337.468 -1.001 20 0 EAADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001185253204 790392716 /nfs/dbraw/zinc/39/27/16/790392716.db2.gz VXZREMGGNKTPSH-OAHLLOKOSA-N 1 0 337.468 -1.001 20 0 EAADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC001185253245 790392916 /nfs/dbraw/zinc/39/29/16/790392916.db2.gz WEFIGYFDZHOYLI-AWEZNQCLSA-N 1 0 346.497 -1.189 20 0 EAADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC001185253248 790390823 /nfs/dbraw/zinc/39/08/23/790390823.db2.gz WEFIGYFDZHOYLI-CQSZACIVSA-N 1 0 346.497 -1.189 20 0 EAADRO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185254201 790393024 /nfs/dbraw/zinc/39/30/24/790393024.db2.gz ZJUNIGLFQNJICD-NEPJUHHUSA-N 1 0 326.397 -1.488 20 0 EAADRO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185254203 790391558 /nfs/dbraw/zinc/39/15/58/790391558.db2.gz ZJUNIGLFQNJICD-NWDGAFQWSA-N 1 0 326.397 -1.488 20 0 EAADRO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185254206 790390743 /nfs/dbraw/zinc/39/07/43/790390743.db2.gz ZJUNIGLFQNJICD-RYUDHWBXSA-N 1 0 326.397 -1.488 20 0 EAADRO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185254208 790391302 /nfs/dbraw/zinc/39/13/02/790391302.db2.gz ZJUNIGLFQNJICD-VXGBXAGGSA-N 1 0 326.397 -1.488 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)Nc1cnccn1 ZINC001185256093 790391891 /nfs/dbraw/zinc/39/18/91/790391891.db2.gz AGZQKLOFPAYDIJ-NXEZZACHSA-N 1 0 333.352 -1.713 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)Nc1cnccn1 ZINC001185256095 790391856 /nfs/dbraw/zinc/39/18/56/790391856.db2.gz AGZQKLOFPAYDIJ-ZJUUUORDSA-N 1 0 333.352 -1.713 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185256225 790392432 /nfs/dbraw/zinc/39/24/32/790392432.db2.gz FDFNJLJCJKJCNY-NXEZZACHSA-N 1 0 340.384 -1.906 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185256231 790392625 /nfs/dbraw/zinc/39/26/25/790392625.db2.gz FDFNJLJCJKJCNY-ZJUUUORDSA-N 1 0 340.384 -1.906 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)NC1CCOCC1 ZINC001185256514 790391983 /nfs/dbraw/zinc/39/19/83/790391983.db2.gz HRWYPUDTLPIDAN-NEPJUHHUSA-N 1 0 339.396 -1.847 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)NC1CCOCC1 ZINC001185256520 790391373 /nfs/dbraw/zinc/39/13/73/790391373.db2.gz HRWYPUDTLPIDAN-VXGBXAGGSA-N 1 0 339.396 -1.847 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)NCc1cccnc1 ZINC001185256523 790392757 /nfs/dbraw/zinc/39/27/57/790392757.db2.gz IBFGYIWRZUHYJB-CHWSQXEVSA-N 1 0 346.391 -1.430 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)NCc1cccnc1 ZINC001185256524 790391408 /nfs/dbraw/zinc/39/14/08/790391408.db2.gz IBFGYIWRZUHYJB-OLZOCXBDSA-N 1 0 346.391 -1.430 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCN2C)CCN1C(C)=O ZINC001185256638 790391777 /nfs/dbraw/zinc/39/17/77/790391777.db2.gz FRKSDTALHZDBCA-CHWSQXEVSA-N 1 0 326.397 -1.536 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCN2C)CCN1C(C)=O ZINC001185256642 790390611 /nfs/dbraw/zinc/39/06/11/790390611.db2.gz FRKSDTALHZDBCA-OLZOCXBDSA-N 1 0 326.397 -1.536 20 0 EAADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CCN1C(C)=O ZINC001185256643 790391074 /nfs/dbraw/zinc/39/10/74/790391074.db2.gz FRKSDTALHZDBCA-QWHCGFSZSA-N 1 0 326.397 -1.536 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CCN1C(C)=O ZINC001185256644 790391526 /nfs/dbraw/zinc/39/15/26/790391526.db2.gz FRKSDTALHZDBCA-STQMWFEESA-N 1 0 326.397 -1.536 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)on1 ZINC001185256893 790391919 /nfs/dbraw/zinc/39/19/19/790391919.db2.gz KHKOPGFJTFZNKS-NXEZZACHSA-N 1 0 336.352 -1.207 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)on1 ZINC001185256896 790390865 /nfs/dbraw/zinc/39/08/65/790390865.db2.gz KHKOPGFJTFZNKS-ZJUUUORDSA-N 1 0 336.352 -1.207 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)Nc1nccs1 ZINC001185256918 790392197 /nfs/dbraw/zinc/39/21/97/790392197.db2.gz KXJBFLFRKDHITG-BDAKNGLRSA-N 1 0 338.393 -1.047 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)Nc1nccs1 ZINC001185256928 790390919 /nfs/dbraw/zinc/39/09/19/790390919.db2.gz KXJBFLFRKDHITG-RKDXNWHRSA-N 1 0 338.393 -1.047 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257587 790392259 /nfs/dbraw/zinc/39/22/59/790392259.db2.gz VFGQBLLRCKCQDN-GHMZBOCLSA-N 1 0 327.385 -1.989 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185257594 790392035 /nfs/dbraw/zinc/39/20/35/790392035.db2.gz VFGQBLLRCKCQDN-MNOVXSKESA-N 1 0 327.385 -1.989 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185257600 790391252 /nfs/dbraw/zinc/39/12/52/790391252.db2.gz VKFUOKCNXRFQIR-BDAKNGLRSA-N 1 0 326.357 -2.296 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257604 790391955 /nfs/dbraw/zinc/39/19/55/790391955.db2.gz VKFUOKCNXRFQIR-RKDXNWHRSA-N 1 0 326.357 -2.296 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)NCC(F)(F)F ZINC001185257805 790390952 /nfs/dbraw/zinc/39/09/52/790390952.db2.gz ZSZOFZLTCCIXIC-HTQZYQBOSA-N 1 0 337.302 -1.463 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)NCC(F)(F)F ZINC001185257807 790392535 /nfs/dbraw/zinc/39/25/35/790392535.db2.gz ZSZOFZLTCCIXIC-SFYZADRCSA-N 1 0 337.302 -1.463 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185259129 790392497 /nfs/dbraw/zinc/39/24/97/790392497.db2.gz BWXSPNOQOCJIBY-GHMZBOCLSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185259130 790390652 /nfs/dbraw/zinc/39/06/52/790390652.db2.gz BWXSPNOQOCJIBY-MNOVXSKESA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@H]1CN(C(=O)CC(=O)N(C)C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185259131 790391940 /nfs/dbraw/zinc/39/19/40/790391940.db2.gz BWXSPNOQOCJIBY-QWRGUYRKSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@H]1CN(C(=O)CC(=O)N(C)C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185259132 790392590 /nfs/dbraw/zinc/39/25/90/790392590.db2.gz BWXSPNOQOCJIBY-WDEREUQCSA-N 1 0 341.412 -1.266 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185259489 790392370 /nfs/dbraw/zinc/39/23/70/790392370.db2.gz DWZBPAQKMURXEW-GHMZBOCLSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185259490 790392987 /nfs/dbraw/zinc/39/29/87/790392987.db2.gz DWZBPAQKMURXEW-MNOVXSKESA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185259491 790391506 /nfs/dbraw/zinc/39/15/06/790391506.db2.gz DWZBPAQKMURXEW-QWRGUYRKSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185259492 790392288 /nfs/dbraw/zinc/39/22/88/790392288.db2.gz DWZBPAQKMURXEW-WDEREUQCSA-N 1 0 348.469 -1.126 20 0 EAADRO CCn1c(N)c(NC(=O)[C@@H]2C[N@H+](C)CCN2C)c(=O)n(CC)c1=O ZINC001185264164 790392101 /nfs/dbraw/zinc/39/21/01/790392101.db2.gz XHAJHBLLRGJXGG-JTQLQIEISA-N 1 0 338.412 -1.184 20 0 EAADRO CCn1c(N)c(NC(=O)[C@H]2C[N@H+](C)CCN2C)c(=O)n(CC)c1=O ZINC001185264170 790391708 /nfs/dbraw/zinc/39/17/08/790391708.db2.gz XHAJHBLLRGJXGG-SNVBAGLBSA-N 1 0 338.412 -1.184 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185264212 790392172 /nfs/dbraw/zinc/39/21/72/790392172.db2.gz COWLEPHYIDYONV-GHMZBOCLSA-N 1 0 327.385 -1.989 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185264214 790392998 /nfs/dbraw/zinc/39/29/98/790392998.db2.gz COWLEPHYIDYONV-MNOVXSKESA-N 1 0 327.385 -1.989 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185264256 790392518 /nfs/dbraw/zinc/39/25/18/790392518.db2.gz DPNSZVQQBDLDRE-GHMZBOCLSA-N 1 0 347.441 -1.812 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185264706 790391032 /nfs/dbraw/zinc/39/10/32/790391032.db2.gz DPNSZVQQBDLDRE-MNOVXSKESA-N 1 0 347.441 -1.812 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)no1 ZINC001185264721 790392870 /nfs/dbraw/zinc/39/28/70/790392870.db2.gz FCTDLYQXEQNIET-NXEZZACHSA-N 1 0 336.352 -1.207 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)no1 ZINC001185264722 790391276 /nfs/dbraw/zinc/39/12/76/790391276.db2.gz FCTDLYQXEQNIET-ZJUUUORDSA-N 1 0 336.352 -1.207 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)S(C)(=O)=O ZINC001185264868 790392007 /nfs/dbraw/zinc/39/20/07/790392007.db2.gz ISDUHURJUORJPN-NXEZZACHSA-N 1 0 333.414 -2.250 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)S(C)(=O)=O ZINC001185264869 790392785 /nfs/dbraw/zinc/39/27/85/790392785.db2.gz ISDUHURJUORJPN-ZJUUUORDSA-N 1 0 333.414 -2.250 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)NCc1ccco1 ZINC001185265175 790392810 /nfs/dbraw/zinc/39/28/10/790392810.db2.gz NRYXHHDMJDQAPI-PWSUYJOCSA-N 1 0 335.364 -1.232 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)NCc1ccco1 ZINC001185265187 790391045 /nfs/dbraw/zinc/39/10/45/790391045.db2.gz NRYXHHDMJDQAPI-ZYHUDNBSSA-N 1 0 335.364 -1.232 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185265334 790391635 /nfs/dbraw/zinc/39/16/35/790391635.db2.gz QBTMTGMZYIIKBU-NEPJUHHUSA-N 1 0 327.385 -1.989 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185265335 790392976 /nfs/dbraw/zinc/39/29/76/790392976.db2.gz QBTMTGMZYIIKBU-VXGBXAGGSA-N 1 0 327.385 -1.989 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185265338 790391239 /nfs/dbraw/zinc/39/12/39/790391239.db2.gz QCOJTWMXSFGUIP-GHMZBOCLSA-N 1 0 326.401 -1.434 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185265339 790392487 /nfs/dbraw/zinc/39/24/87/790392487.db2.gz QCOJTWMXSFGUIP-MNOVXSKESA-N 1 0 326.401 -1.434 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)Nc1nncs1 ZINC001185265340 790392838 /nfs/dbraw/zinc/39/28/38/790392838.db2.gz QETFLHLUWLTPRM-HTQZYQBOSA-N 1 0 339.381 -1.652 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)Nc1nncs1 ZINC001185265341 790392389 /nfs/dbraw/zinc/39/23/89/790392389.db2.gz QETFLHLUWLTPRM-SFYZADRCSA-N 1 0 339.381 -1.652 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001185265344 790390807 /nfs/dbraw/zinc/39/08/07/790390807.db2.gz QHEVSHDXMCSXPI-GHMZBOCLSA-N 1 0 344.437 -1.317 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001185265345 790391351 /nfs/dbraw/zinc/39/13/51/790391351.db2.gz QHEVSHDXMCSXPI-MNOVXSKESA-N 1 0 344.437 -1.317 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)NC(=O)NC1CC1 ZINC001185265648 790391176 /nfs/dbraw/zinc/39/11/76/790391176.db2.gz RVMOBSLVXGNURV-NXEZZACHSA-N 1 0 338.368 -2.154 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)NC(=O)NC1CC1 ZINC001185265652 790392296 /nfs/dbraw/zinc/39/22/96/790392296.db2.gz RVMOBSLVXGNURV-ZJUUUORDSA-N 1 0 338.368 -2.154 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001185265741 790391426 /nfs/dbraw/zinc/39/14/26/790391426.db2.gz UCNDVZVHTGWSRG-GRYCIOLGSA-N 1 0 339.396 -2.158 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001185265744 790391337 /nfs/dbraw/zinc/39/13/37/790391337.db2.gz UCNDVZVHTGWSRG-WOPDTQHZSA-N 1 0 339.396 -2.158 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185265757 790391677 /nfs/dbraw/zinc/39/16/77/790391677.db2.gz UIXMFPZFVLUFLZ-GHMZBOCLSA-N 1 0 340.428 -1.044 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185265758 790392354 /nfs/dbraw/zinc/39/23/54/790392354.db2.gz UIXMFPZFVLUFLZ-MNOVXSKESA-N 1 0 340.428 -1.044 20 0 EAADRO CN1CC[N@H+](C)C[C@@H]1C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001185267039 790390976 /nfs/dbraw/zinc/39/09/76/790390976.db2.gz LHLATSIHIFSMTD-CYBMUJFWSA-N 1 0 332.470 -1.531 20 0 EAADRO CN1CC[N@H+](C)C[C@H]1C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001185267040 790393103 /nfs/dbraw/zinc/39/31/03/790393103.db2.gz LHLATSIHIFSMTD-ZDUSSCGKSA-N 1 0 332.470 -1.531 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@H+](C)CCN2C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001185270266 790392650 /nfs/dbraw/zinc/39/26/50/790392650.db2.gz XLUPGAPOAJRIIG-JSXSYOHWSA-N 1 0 347.412 -2.808 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[N@H+](C)CCN2C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001185270267 790392057 /nfs/dbraw/zinc/39/20/57/790392057.db2.gz XLUPGAPOAJRIIG-VUZIRADBSA-N 1 0 347.412 -2.808 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185270499 790392562 /nfs/dbraw/zinc/39/25/62/790392562.db2.gz HPJBKSRHSOGOAF-NXEZZACHSA-N 1 0 333.414 -2.202 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185270500 790392894 /nfs/dbraw/zinc/39/28/94/790392894.db2.gz HPJBKSRHSOGOAF-ZJUUUORDSA-N 1 0 333.414 -2.202 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185270867 790391839 /nfs/dbraw/zinc/39/18/39/790391839.db2.gz LUDUAYWQFGADME-GHMZBOCLSA-N 1 0 349.395 -1.163 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185270870 790391603 /nfs/dbraw/zinc/39/16/03/790391603.db2.gz LUDUAYWQFGADME-MNOVXSKESA-N 1 0 349.395 -1.163 20 0 EAADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185271970 790391021 /nfs/dbraw/zinc/39/10/21/790391021.db2.gz SZIWGCXZMIOJPT-GHMZBOCLSA-N 1 0 332.426 -1.317 20 0 EAADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185271971 790392414 /nfs/dbraw/zinc/39/24/14/790392414.db2.gz SZIWGCXZMIOJPT-MNOVXSKESA-N 1 0 332.426 -1.317 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185271974 790390901 /nfs/dbraw/zinc/39/09/01/790390901.db2.gz TWBVTHXNMQCZEN-GHMZBOCLSA-N 1 0 347.441 -1.860 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185271975 790391362 /nfs/dbraw/zinc/39/13/62/790391362.db2.gz TWBVTHXNMQCZEN-MNOVXSKESA-N 1 0 347.441 -1.860 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n(C)n1 ZINC001185272016 790390777 /nfs/dbraw/zinc/39/07/77/790390777.db2.gz VQVMNNGAGUVIMU-GHMZBOCLSA-N 1 0 349.395 -1.461 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n(C)n1 ZINC001185272021 790390590 /nfs/dbraw/zinc/39/05/90/790390590.db2.gz VQVMNNGAGUVIMU-MNOVXSKESA-N 1 0 349.395 -1.461 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185272909 790390571 /nfs/dbraw/zinc/39/05/71/790390571.db2.gz ZUMQHQDSKIJEDZ-NXEZZACHSA-N 1 0 338.368 -2.200 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185272910 790391690 /nfs/dbraw/zinc/39/16/90/790391690.db2.gz ZUMQHQDSKIJEDZ-ZJUUUORDSA-N 1 0 338.368 -2.200 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001185282837 790394387 /nfs/dbraw/zinc/39/43/87/790394387.db2.gz MAWWNIJUMCZICJ-GHMZBOCLSA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001185282842 790393478 /nfs/dbraw/zinc/39/34/78/790393478.db2.gz MAWWNIJUMCZICJ-MNOVXSKESA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC001185282845 790393917 /nfs/dbraw/zinc/39/39/17/790393917.db2.gz MAWWNIJUMCZICJ-QWRGUYRKSA-N 1 0 338.408 -1.141 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC001185282846 790394729 /nfs/dbraw/zinc/39/47/29/790394729.db2.gz MAWWNIJUMCZICJ-WDEREUQCSA-N 1 0 338.408 -1.141 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185288926 790393925 /nfs/dbraw/zinc/39/39/25/790393925.db2.gz AHPVBPTUFYYVQL-NXEZZACHSA-N 1 0 339.396 -1.323 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185288927 790393640 /nfs/dbraw/zinc/39/36/40/790393640.db2.gz AHPVBPTUFYYVQL-VHSXEESVSA-N 1 0 339.396 -1.323 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185288929 790395377 /nfs/dbraw/zinc/39/53/77/790395377.db2.gz ALIYBZXCOKVYIS-LLVKDONJSA-N 1 0 346.453 -1.228 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)CC1 ZINC001185288934 790393874 /nfs/dbraw/zinc/39/38/74/790393874.db2.gz ASKQHHJBPZKWQJ-SNVBAGLBSA-N 1 0 337.380 -1.616 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185288978 790395417 /nfs/dbraw/zinc/39/54/17/790395417.db2.gz CLGKRPGSUNDGTB-GFCCVEGCSA-N 1 0 326.397 -1.405 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185288985 790394503 /nfs/dbraw/zinc/39/45/03/790394503.db2.gz CTFGLRTZNSSWOO-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185288997 790394696 /nfs/dbraw/zinc/39/46/96/790394696.db2.gz CZMRYSAYRHNDFK-NEPJUHHUSA-N 1 0 329.397 -1.534 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289002 790394191 /nfs/dbraw/zinc/39/41/91/790394191.db2.gz CZMRYSAYRHNDFK-VXGBXAGGSA-N 1 0 329.397 -1.534 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC1 ZINC001185289021 790394918 /nfs/dbraw/zinc/39/49/18/790394918.db2.gz DULVPRUKRGQEKG-SNVBAGLBSA-N 1 0 332.364 -1.129 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)CC1 ZINC001185289040 790393737 /nfs/dbraw/zinc/39/37/37/790393737.db2.gz FUKSTXMENFFWOA-NWDGAFQWSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)CC1 ZINC001185289041 790395305 /nfs/dbraw/zinc/39/53/05/790395305.db2.gz FUKSTXMENFFWOA-VXGBXAGGSA-N 1 0 338.408 -1.405 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289043 790394238 /nfs/dbraw/zinc/39/42/38/790394238.db2.gz GAECYQPTDGFQPS-NWDGAFQWSA-N 1 0 340.424 -1.016 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289044 790393394 /nfs/dbraw/zinc/39/33/94/790393394.db2.gz GAECYQPTDGFQPS-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289111 790394150 /nfs/dbraw/zinc/39/41/50/790394150.db2.gz ISWUFPVWORTZPX-LLVKDONJSA-N 1 0 346.453 -1.276 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC1 ZINC001185289134 790394891 /nfs/dbraw/zinc/39/48/91/790394891.db2.gz JZHAVBYZQGDNAS-GFCCVEGCSA-N 1 0 338.408 -1.262 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)S(C)(=O)=O ZINC001185289256 790393689 /nfs/dbraw/zinc/39/36/89/790393689.db2.gz LBFQSRVCWRJWII-SNVBAGLBSA-N 1 0 332.426 -1.666 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289320 790393345 /nfs/dbraw/zinc/39/33/45/790393345.db2.gz NWBUIDNKLZSJJC-SECBINFHSA-N 1 0 325.369 -1.712 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)CC1 ZINC001185289331 790394488 /nfs/dbraw/zinc/39/44/88/790394488.db2.gz NZZATHUKNDNGKA-NEPJUHHUSA-N 1 0 338.408 -1.574 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289451 790393713 /nfs/dbraw/zinc/39/37/13/790393713.db2.gz OVZNUIAFWTYSEI-SNVBAGLBSA-N 1 0 332.426 -1.618 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001185289602 790393859 /nfs/dbraw/zinc/39/38/59/790393859.db2.gz QQNHXIPFXRDQKH-LLVKDONJSA-N 1 0 347.441 -1.729 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289607 790395040 /nfs/dbraw/zinc/39/50/40/790395040.db2.gz QVUKYTRXISBKGQ-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC001185289619 790393535 /nfs/dbraw/zinc/39/35/35/790393535.db2.gz RGDRTLSARNTKOF-NEPJUHHUSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC1 ZINC001185289620 790394733 /nfs/dbraw/zinc/39/47/33/790394733.db2.gz RGDRTLSARNTKOF-VXGBXAGGSA-N 1 0 338.408 -1.262 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289766 790394167 /nfs/dbraw/zinc/39/41/67/790394167.db2.gz TZOQWPOIEVEMJB-DTWKUNHWSA-N 1 0 325.369 -1.714 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289767 790393665 /nfs/dbraw/zinc/39/36/65/790393665.db2.gz TZOQWPOIEVEMJB-RKDXNWHRSA-N 1 0 325.369 -1.714 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC001185289790 790395083 /nfs/dbraw/zinc/39/50/83/790395083.db2.gz URJXEQQTBOFFGL-SNVBAGLBSA-N 1 0 337.380 -1.569 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289811 790395169 /nfs/dbraw/zinc/39/51/69/790395169.db2.gz VJEFAXPJLKKPQV-SNVBAGLBSA-N 1 0 339.396 -1.322 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289813 790395388 /nfs/dbraw/zinc/39/53/88/790395388.db2.gz VOXYRNDSESNHHK-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC1 ZINC001185289823 790394948 /nfs/dbraw/zinc/39/49/48/790394948.db2.gz VULALHCOKYVBKS-MRVPVSSYSA-N 1 0 338.393 -1.067 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185295002 790393627 /nfs/dbraw/zinc/39/36/27/790393627.db2.gz WTXOFYGSZCOFKU-NXEZZACHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185295003 790393815 /nfs/dbraw/zinc/39/38/15/790393815.db2.gz WTXOFYGSZCOFKU-UWVGGRQHSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185295004 790395216 /nfs/dbraw/zinc/39/52/16/790395216.db2.gz WTXOFYGSZCOFKU-VHSXEESVSA-N 1 0 337.384 -1.302 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185295005 790393946 /nfs/dbraw/zinc/39/39/46/790393946.db2.gz WTXOFYGSZCOFKU-ZJUUUORDSA-N 1 0 337.384 -1.302 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185295746 790395003 /nfs/dbraw/zinc/39/50/03/790395003.db2.gz BXCWRALZGVRUPG-MRVPVSSYSA-N 1 0 335.386 -2.560 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001185295772 790394877 /nfs/dbraw/zinc/39/48/77/790394877.db2.gz CNQWWGXHMGGQEH-GFCCVEGCSA-N 1 0 346.453 -1.228 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1)C(=O)NC(N)=O ZINC001185295785 790394777 /nfs/dbraw/zinc/39/47/77/790394777.db2.gz DILXWYQVOAFCPR-DTWKUNHWSA-N 1 0 349.413 -2.171 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1)C(=O)NC(N)=O ZINC001185295787 790395192 /nfs/dbraw/zinc/39/51/92/790395192.db2.gz DILXWYQVOAFCPR-RKDXNWHRSA-N 1 0 349.413 -2.171 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001185296100 790394714 /nfs/dbraw/zinc/39/47/14/790394714.db2.gz GYRQJXSQPHGLCM-LLVKDONJSA-N 1 0 330.414 -1.463 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1)C1CC1 ZINC001185296163 790394207 /nfs/dbraw/zinc/39/42/07/790394207.db2.gz IRVKDNDXKPIBET-LLVKDONJSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1)C(=O)NC1CC1 ZINC001185296301 790393291 /nfs/dbraw/zinc/39/32/91/790393291.db2.gz LGMWGEUKKAXHRE-CMPLNLGQSA-N 1 0 346.453 -1.087 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1)C(=O)NC1CC1 ZINC001185296303 790393323 /nfs/dbraw/zinc/39/33/23/790393323.db2.gz LGMWGEUKKAXHRE-ZYHUDNBSSA-N 1 0 346.453 -1.087 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001185296435 790393414 /nfs/dbraw/zinc/39/34/14/790393414.db2.gz OCCZFYGMZUYYAG-GFCCVEGCSA-N 1 0 346.453 -1.132 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001185296831 790394452 /nfs/dbraw/zinc/39/44/52/790394452.db2.gz TZYUACLWSMEICW-GFCCVEGCSA-N 1 0 346.453 -1.132 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001185296943 790395429 /nfs/dbraw/zinc/39/54/29/790395429.db2.gz VPTVZVQGOCOYFA-NEPJUHHUSA-N 1 0 346.453 -1.134 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001185296944 790394523 /nfs/dbraw/zinc/39/45/23/790394523.db2.gz VPTVZVQGOCOYFA-VXGBXAGGSA-N 1 0 346.453 -1.134 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1)C(=O)N(C)C ZINC001185296988 790395063 /nfs/dbraw/zinc/39/50/63/790395063.db2.gz WVFOZGNYFNVWJK-GHMZBOCLSA-N 1 0 334.442 -1.278 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1)C(=O)N(C)C ZINC001185296995 790393889 /nfs/dbraw/zinc/39/38/89/790393889.db2.gz WVFOZGNYFNVWJK-WDEREUQCSA-N 1 0 334.442 -1.278 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001185297139 790393767 /nfs/dbraw/zinc/39/37/67/790393767.db2.gz ZFOQSMSKYNFQAA-GHMZBOCLSA-N 1 0 332.426 -1.524 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001185297145 790393227 /nfs/dbraw/zinc/39/32/27/790393227.db2.gz ZFOQSMSKYNFQAA-MNOVXSKESA-N 1 0 332.426 -1.524 20 0 EAADRO CN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001185303628 790394849 /nfs/dbraw/zinc/39/48/49/790394849.db2.gz GMZLGDLTZJFDTR-NEPJUHHUSA-N 1 0 346.453 -1.134 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001185303629 790393369 /nfs/dbraw/zinc/39/33/69/790393369.db2.gz GMZLGDLTZJFDTR-VXGBXAGGSA-N 1 0 346.453 -1.134 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185304011 790394804 /nfs/dbraw/zinc/39/48/04/790394804.db2.gz HBGFQNGFPUMQAG-SNVBAGLBSA-N 1 0 341.455 -1.710 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185304381 790394119 /nfs/dbraw/zinc/39/41/19/790394119.db2.gz JSPHAHXACPOJMH-LLVKDONJSA-N 1 0 334.442 -1.230 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185304774 790393829 /nfs/dbraw/zinc/39/38/29/790393829.db2.gz MYRFUTFMJXBJQR-SNVBAGLBSA-N 1 0 330.414 -1.426 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185304781 790394545 /nfs/dbraw/zinc/39/45/45/790394545.db2.gz NFVUUZBJEAJLBR-LLVKDONJSA-N 1 0 334.442 -1.276 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185304809 790395509 /nfs/dbraw/zinc/39/55/09/790395509.db2.gz OSBORNUDWMEVDD-SECBINFHSA-N 1 0 349.413 -2.299 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001185304976 790393959 /nfs/dbraw/zinc/39/39/59/790393959.db2.gz RFNKEYGAXMORNQ-NXEZZACHSA-N 1 0 346.409 -1.949 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001185305112 790393980 /nfs/dbraw/zinc/39/39/80/790393980.db2.gz RFNKEYGAXMORNQ-ZJUUUORDSA-N 1 0 346.409 -1.949 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001185305557 790393562 /nfs/dbraw/zinc/39/35/62/790393562.db2.gz VPHVFNRFYZQKNX-GHMZBOCLSA-N 1 0 332.426 -1.476 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001185305558 790395322 /nfs/dbraw/zinc/39/53/22/790395322.db2.gz VPHVFNRFYZQKNX-MNOVXSKESA-N 1 0 332.426 -1.476 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001185305609 790393258 /nfs/dbraw/zinc/39/32/58/790393258.db2.gz XOTKQDDHKUIYOB-GFCCVEGCSA-N 1 0 346.453 -1.228 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185305626 790394767 /nfs/dbraw/zinc/39/47/67/790394767.db2.gz XSWYNKIAPCBBHG-GFCCVEGCSA-N 1 0 337.442 -1.091 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001185305627 790393786 /nfs/dbraw/zinc/39/37/86/790393786.db2.gz XVKCFONXGOKVEI-LLVKDONJSA-N 1 0 332.426 -1.476 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001185305633 790394002 /nfs/dbraw/zinc/39/40/02/790394002.db2.gz XXZUVDGQKBHNNE-LLVKDONJSA-N 1 0 332.426 -1.522 20 0 EAADRO COc1ccccc1CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185313850 790397664 /nfs/dbraw/zinc/39/76/64/790397664.db2.gz OOLMLVZNDVPKRJ-GFCCVEGCSA-N 1 0 334.376 -1.013 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCc2ccco2)C1 ZINC001185313863 790397228 /nfs/dbraw/zinc/39/72/28/790397228.db2.gz PFGJAYYRTIVNQF-SECBINFHSA-N 1 0 337.336 -1.719 20 0 EAADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)cn1 ZINC001185313869 790396771 /nfs/dbraw/zinc/39/67/71/790396771.db2.gz PLQSPDXXDZLXNU-SECBINFHSA-N 1 0 344.397 -2.626 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCOc2ccccc2)C1 ZINC001185313934 790396270 /nfs/dbraw/zinc/39/62/70/790396270.db2.gz RUCQZMZNPDQMHC-GFCCVEGCSA-N 1 0 334.376 -1.143 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)C1 ZINC001185314039 790397609 /nfs/dbraw/zinc/39/76/09/790397609.db2.gz SCTJTWFKUVSTJQ-LLVKDONJSA-N 1 0 340.405 -1.359 20 0 EAADRO COCCCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185314224 790396468 /nfs/dbraw/zinc/39/64/68/790396468.db2.gz WNECZXZKMQMSJA-SNVBAGLBSA-N 1 0 336.414 -2.382 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1C[NH2+]CCO ZINC001185316703 790391207 /nfs/dbraw/zinc/39/12/07/790391207.db2.gz ILGGVHBVJSVYOA-CHWSQXEVSA-N 1 0 338.408 -1.007 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1C[NH2+]CCO ZINC001185316704 790392139 /nfs/dbraw/zinc/39/21/39/790392139.db2.gz ILGGVHBVJSVYOA-OLZOCXBDSA-N 1 0 338.408 -1.007 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1C[NH2+]CCO ZINC001185316705 790392330 /nfs/dbraw/zinc/39/23/30/790392330.db2.gz ILGGVHBVJSVYOA-QWHCGFSZSA-N 1 0 338.408 -1.007 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1C[NH2+]CCO ZINC001185316706 790392683 /nfs/dbraw/zinc/39/26/83/790392683.db2.gz ILGGVHBVJSVYOA-STQMWFEESA-N 1 0 338.408 -1.007 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185320667 790391749 /nfs/dbraw/zinc/39/17/49/790391749.db2.gz ACCGAAJXDFACLW-DTWKUNHWSA-N 1 0 329.357 -2.477 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185320675 790391816 /nfs/dbraw/zinc/39/18/16/790391816.db2.gz ACCGAAJXDFACLW-RKDXNWHRSA-N 1 0 329.357 -2.477 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001185320712 790391477 /nfs/dbraw/zinc/39/14/77/790391477.db2.gz AOJBAZIINKZPEQ-NXEZZACHSA-N 1 0 346.409 -2.692 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001185320725 790390712 /nfs/dbraw/zinc/39/07/12/790390712.db2.gz AOJBAZIINKZPEQ-ZJUUUORDSA-N 1 0 346.409 -2.692 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCN2CCCC2=O)C1 ZINC001185320850 790394595 /nfs/dbraw/zinc/39/45/95/790394595.db2.gz BOVKFJFITFFEQE-LLVKDONJSA-N 1 0 339.396 -2.209 20 0 EAADRO COc1cccc(CNC(=O)C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)c1 ZINC001185321292 790395111 /nfs/dbraw/zinc/39/51/11/790395111.db2.gz GZOPKGPBMQRZMH-GFCCVEGCSA-N 1 0 334.376 -1.013 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC001185321756 790394350 /nfs/dbraw/zinc/39/43/50/790394350.db2.gz MXJXTAXKBJDPOK-ZCFIWIBFSA-N 1 0 339.274 -1.950 20 0 EAADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)cc1 ZINC001185321765 790395351 /nfs/dbraw/zinc/39/53/51/790395351.db2.gz NGAFPMHMKAEKJB-GFCCVEGCSA-N 1 0 334.376 -1.013 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001185321778 790395142 /nfs/dbraw/zinc/39/51/42/790395142.db2.gz OAIWUILBKSBNGX-SNVBAGLBSA-N 1 0 325.369 -2.599 20 0 EAADRO CC(C)CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185321805 790393435 /nfs/dbraw/zinc/39/34/35/790393435.db2.gz OVSPKTIQYVSMDQ-GFCCVEGCSA-N 1 0 328.413 -1.159 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001185322022 790395262 /nfs/dbraw/zinc/39/52/62/790395262.db2.gz UDFZDPSCMHFKLY-SECBINFHSA-N 1 0 325.369 -1.617 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185322028 790395451 /nfs/dbraw/zinc/39/54/51/790395451.db2.gz UGHOQQAGTJYHCX-NXEZZACHSA-N 1 0 327.385 -1.468 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185322029 790395238 /nfs/dbraw/zinc/39/52/38/790395238.db2.gz UGHOQQAGTJYHCX-VHSXEESVSA-N 1 0 327.385 -1.468 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185322228 790396633 /nfs/dbraw/zinc/39/66/33/790396633.db2.gz XHMHJRGCXLDMDP-SNVBAGLBSA-N 1 0 327.385 -2.353 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185326467 790396739 /nfs/dbraw/zinc/39/67/39/790396739.db2.gz GVVXMNYRWYNYAK-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185326468 790395995 /nfs/dbraw/zinc/39/59/95/790395995.db2.gz GVVXMNYRWYNYAK-UWVGGRQHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185326469 790395793 /nfs/dbraw/zinc/39/57/93/790395793.db2.gz GVVXMNYRWYNYAK-VHSXEESVSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185326470 790395727 /nfs/dbraw/zinc/39/57/27/790395727.db2.gz GVVXMNYRWYNYAK-ZJUUUORDSA-N 1 0 325.369 -1.902 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001185326903 790397084 /nfs/dbraw/zinc/39/70/84/790397084.db2.gz KXPUBCIEIOCCBW-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001185326904 790397025 /nfs/dbraw/zinc/39/70/25/790397025.db2.gz KXPUBCIEIOCCBW-MNOVXSKESA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC001185326905 790397402 /nfs/dbraw/zinc/39/74/02/790397402.db2.gz KXPUBCIEIOCCBW-QWRGUYRKSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC001185326906 790395917 /nfs/dbraw/zinc/39/59/17/790395917.db2.gz KXPUBCIEIOCCBW-WDEREUQCSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001185327505 790396311 /nfs/dbraw/zinc/39/63/11/790396311.db2.gz QDSSRPDXGIYILS-NXEZZACHSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001185327506 790396153 /nfs/dbraw/zinc/39/61/53/790396153.db2.gz QDSSRPDXGIYILS-UWVGGRQHSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001185327507 790397477 /nfs/dbraw/zinc/39/74/77/790397477.db2.gz QDSSRPDXGIYILS-VHSXEESVSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001185327508 790395874 /nfs/dbraw/zinc/39/58/74/790395874.db2.gz QDSSRPDXGIYILS-ZJUUUORDSA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C[NH2+]CCCO ZINC001185327869 790396863 /nfs/dbraw/zinc/39/68/63/790396863.db2.gz TUZRTQFRCXELOJ-NEPJUHHUSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C[NH2+]CCCO ZINC001185327870 790396889 /nfs/dbraw/zinc/39/68/89/790396889.db2.gz TUZRTQFRCXELOJ-NWDGAFQWSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C[NH2+]CCCO ZINC001185327871 790397544 /nfs/dbraw/zinc/39/75/44/790397544.db2.gz TUZRTQFRCXELOJ-RYUDHWBXSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C[NH2+]CCCO ZINC001185327872 790397051 /nfs/dbraw/zinc/39/70/51/790397051.db2.gz TUZRTQFRCXELOJ-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC001185333832 790396564 /nfs/dbraw/zinc/39/65/64/790396564.db2.gz BPAYNZGRGGEWJP-NXEZZACHSA-N 1 0 346.409 -2.787 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001185333833 790396072 /nfs/dbraw/zinc/39/60/72/790396072.db2.gz BPAYNZGRGGEWJP-VHSXEESVSA-N 1 0 346.409 -2.787 20 0 EAADRO CNC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)cc1 ZINC001185333892 790396663 /nfs/dbraw/zinc/39/66/63/790396663.db2.gz DTBOLWWBUCXLGQ-GFCCVEGCSA-N 1 0 347.375 -1.340 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(N)=O)C1 ZINC001185333893 790396898 /nfs/dbraw/zinc/39/68/98/790396898.db2.gz DWXUTNALFLFJIV-SECBINFHSA-N 1 0 333.348 -1.600 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185334066 790395770 /nfs/dbraw/zinc/39/57/70/790395770.db2.gz FLYDKWGTIULCCL-SECBINFHSA-N 1 0 327.385 -2.307 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CCCC2)C1 ZINC001185334072 790395960 /nfs/dbraw/zinc/39/59/60/790395960.db2.gz FXEWSBPHKILOCT-SNVBAGLBSA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC001185334174 790397585 /nfs/dbraw/zinc/39/75/85/790397585.db2.gz IQZFIDNJYZEMFX-CHWSQXEVSA-N 1 0 346.387 -1.218 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC001185334175 790395846 /nfs/dbraw/zinc/39/58/46/790395846.db2.gz IQZFIDNJYZEMFX-OLZOCXBDSA-N 1 0 346.387 -1.218 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CCCCC2)C1 ZINC001185334436 790397124 /nfs/dbraw/zinc/39/71/24/790397124.db2.gz NQPVAZWWDUZJNY-LLVKDONJSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCc2ccccc2)C1 ZINC001185334643 790397798 /nfs/dbraw/zinc/39/77/98/790397798.db2.gz QWKBLJFOWLCZCV-GFCCVEGCSA-N 1 0 347.375 -1.312 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001185334647 790396714 /nfs/dbraw/zinc/39/67/14/790396714.db2.gz RCRIQRYCFOTMLL-GFCCVEGCSA-N 1 0 339.396 -2.211 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001185334653 790397289 /nfs/dbraw/zinc/39/72/89/790397289.db2.gz RMYPZENAQJKTGT-DTWKUNHWSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001185334654 790397642 /nfs/dbraw/zinc/39/76/42/790397642.db2.gz RMYPZENAQJKTGT-RKDXNWHRSA-N 1 0 327.385 -1.325 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001185378041 790396201 /nfs/dbraw/zinc/39/62/01/790396201.db2.gz LRHYMHLTIQXMOO-BNOWGMLFSA-N 1 0 348.407 -1.464 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001185378046 790397148 /nfs/dbraw/zinc/39/71/48/790397148.db2.gz LRHYMHLTIQXMOO-XBFCOCLRSA-N 1 0 348.407 -1.464 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001185378470 790396939 /nfs/dbraw/zinc/39/69/39/790396939.db2.gz WQRIYXPZZNBVRU-NDMJEZRESA-N 1 0 336.396 -1.479 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001185378472 790397308 /nfs/dbraw/zinc/39/73/08/790397308.db2.gz WQRIYXPZZNBVRU-XWIASGKRSA-N 1 0 336.396 -1.479 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C1 ZINC001185378601 790397427 /nfs/dbraw/zinc/39/74/27/790397427.db2.gz ZUACKYMFUUWKNY-YPMHNXCESA-N 1 0 336.396 -1.607 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1)S(C)(=O)=O ZINC001185391988 790397497 /nfs/dbraw/zinc/39/74/97/790397497.db2.gz HMXYSXADIUDRIR-SNVBAGLBSA-N 1 0 345.425 -1.179 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185393007 790396788 /nfs/dbraw/zinc/39/67/88/790396788.db2.gz ZOPVAZCQDRQXMM-SECBINFHSA-N 1 0 338.368 -1.225 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185401401 790396438 /nfs/dbraw/zinc/39/64/38/790396438.db2.gz PITSOOOHORMYOL-NEPJUHHUSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185401402 790396100 /nfs/dbraw/zinc/39/61/00/790396100.db2.gz PITSOOOHORMYOL-VXGBXAGGSA-N 1 0 342.396 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2ncnn2C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185412444 790396818 /nfs/dbraw/zinc/39/68/18/790396818.db2.gz SMEHQBIWPVNIHM-NEPJUHHUSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CN(C(=O)COCc2ncnn2C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185412445 790395738 /nfs/dbraw/zinc/39/57/38/790395738.db2.gz SMEHQBIWPVNIHM-NWDGAFQWSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CN(C(=O)COCc2ncnn2C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185412446 790397107 /nfs/dbraw/zinc/39/71/07/790397107.db2.gz SMEHQBIWPVNIHM-RYUDHWBXSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2ncnn2C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185412447 790396493 /nfs/dbraw/zinc/39/64/93/790396493.db2.gz SMEHQBIWPVNIHM-VXGBXAGGSA-N 1 0 338.412 -1.109 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185416473 790398322 /nfs/dbraw/zinc/39/83/22/790398322.db2.gz WSFCTVKXQVDNTR-DTWKUNHWSA-N 1 0 338.368 -1.226 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185416474 790399994 /nfs/dbraw/zinc/39/99/94/790399994.db2.gz WSFCTVKXQVDNTR-RKDXNWHRSA-N 1 0 338.368 -1.226 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185416587 790399033 /nfs/dbraw/zinc/39/90/33/790399033.db2.gz YAZVXARDETYRPJ-SNVBAGLBSA-N 1 0 345.425 -1.131 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)[nH]c1=O ZINC001185416599 790399351 /nfs/dbraw/zinc/39/93/51/790399351.db2.gz YNBAOHPYRDIKAL-SECBINFHSA-N 1 0 331.398 -1.521 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185423632 790397830 /nfs/dbraw/zinc/39/78/30/790397830.db2.gz NGSXVKVXNNTOTM-NEPJUHHUSA-N 1 0 348.469 -1.173 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185423639 790396700 /nfs/dbraw/zinc/39/67/00/790396700.db2.gz NGSXVKVXNNTOTM-NWDGAFQWSA-N 1 0 348.469 -1.173 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185423641 790395985 /nfs/dbraw/zinc/39/59/85/790395985.db2.gz NGSXVKVXNNTOTM-RYUDHWBXSA-N 1 0 348.469 -1.173 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185423642 790395806 /nfs/dbraw/zinc/39/58/06/790395806.db2.gz NGSXVKVXNNTOTM-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2nncn2C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185424353 790396139 /nfs/dbraw/zinc/39/61/39/790396139.db2.gz SSHGCFKWCMKBIU-NEPJUHHUSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CN(C(=O)COCc2nncn2C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185424354 790397710 /nfs/dbraw/zinc/39/77/10/790397710.db2.gz SSHGCFKWCMKBIU-NWDGAFQWSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@H]1CN(C(=O)COCc2nncn2C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185424355 790397789 /nfs/dbraw/zinc/39/77/89/790397789.db2.gz SSHGCFKWCMKBIU-RYUDHWBXSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2nncn2C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185424356 790396127 /nfs/dbraw/zinc/39/61/27/790396127.db2.gz SSHGCFKWCMKBIU-VXGBXAGGSA-N 1 0 338.412 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1C[NH2+]CCO ZINC001185444811 790397412 /nfs/dbraw/zinc/39/74/12/790397412.db2.gz BXUWFMVEBSMVLQ-NEPJUHHUSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C[NH2+]CCO ZINC001185444812 790397279 /nfs/dbraw/zinc/39/72/79/790397279.db2.gz BXUWFMVEBSMVLQ-NWDGAFQWSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1C[NH2+]CCO ZINC001185444813 790396297 /nfs/dbraw/zinc/39/62/97/790396297.db2.gz BXUWFMVEBSMVLQ-RYUDHWBXSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C[NH2+]CCO ZINC001185444814 790397011 /nfs/dbraw/zinc/39/70/11/790397011.db2.gz BXUWFMVEBSMVLQ-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185447041 790398407 /nfs/dbraw/zinc/39/84/07/790398407.db2.gz QFSQPQMOPRPWAR-GHMZBOCLSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185447042 790399978 /nfs/dbraw/zinc/39/99/78/790399978.db2.gz QFSQPQMOPRPWAR-MNOVXSKESA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185447043 790398940 /nfs/dbraw/zinc/39/89/40/790398940.db2.gz QFSQPQMOPRPWAR-QWRGUYRKSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185447044 790399494 /nfs/dbraw/zinc/39/94/94/790399494.db2.gz QFSQPQMOPRPWAR-WDEREUQCSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185460385 790399542 /nfs/dbraw/zinc/39/95/42/790399542.db2.gz SXWONLDFUDVAOY-NXEZZACHSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185460388 790399432 /nfs/dbraw/zinc/39/94/32/790399432.db2.gz SXWONLDFUDVAOY-UWVGGRQHSA-N 1 0 337.384 -1.384 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185460389 790398652 /nfs/dbraw/zinc/39/86/52/790398652.db2.gz SXWONLDFUDVAOY-VHSXEESVSA-N 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330.385 -1.316 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001185540321 790401508 /nfs/dbraw/zinc/40/15/08/790401508.db2.gz YDDDMJUZTDQKNH-MNOVXSKESA-N 1 0 330.385 -1.316 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001185549386 790398273 /nfs/dbraw/zinc/39/82/73/790398273.db2.gz AZXLQGIIXBMARR-GHMZBOCLSA-N 1 0 328.369 -1.610 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001185549387 790398914 /nfs/dbraw/zinc/39/89/14/790398914.db2.gz AZXLQGIIXBMARR-MNOVXSKESA-N 1 0 328.369 -1.610 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001185549441 790398388 /nfs/dbraw/zinc/39/83/88/790398388.db2.gz CYDQEYLLDIRESJ-NEPJUHHUSA-N 1 0 342.396 -2.203 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001185549442 790398142 /nfs/dbraw/zinc/39/81/42/790398142.db2.gz CYDQEYLLDIRESJ-VXGBXAGGSA-N 1 0 342.396 -2.203 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 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COC[C@@H](OC)C(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001185551506 790399301 /nfs/dbraw/zinc/39/93/01/790399301.db2.gz VOIPMNUSTGXWMX-ZIAGYGMSSA-N 1 0 331.413 -1.009 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001185551526 790398774 /nfs/dbraw/zinc/39/87/74/790398774.db2.gz VYXVPTUECZQKEJ-NEPJUHHUSA-N 1 0 337.442 -1.222 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001185551527 790398444 /nfs/dbraw/zinc/39/84/44/790398444.db2.gz VYXVPTUECZQKEJ-VXGBXAGGSA-N 1 0 337.442 -1.222 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001185551599 790399339 /nfs/dbraw/zinc/39/93/39/790399339.db2.gz YARHWQGOCOLXQP-NEPJUHHUSA-N 1 0 327.381 -1.013 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001185551600 790398496 /nfs/dbraw/zinc/39/84/96/790398496.db2.gz YARHWQGOCOLXQP-VXGBXAGGSA-N 1 0 327.381 -1.013 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001185551603 790399169 /nfs/dbraw/zinc/39/91/69/790399169.db2.gz YHDFXUCDCAQDNJ-CHWSQXEVSA-N 1 0 331.413 -1.009 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001185551604 790399723 /nfs/dbraw/zinc/39/97/23/790399723.db2.gz YHDFXUCDCAQDNJ-OLZOCXBDSA-N 1 0 331.413 -1.009 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185566832 790398375 /nfs/dbraw/zinc/39/83/75/790398375.db2.gz DYLOYFHNEVKPDP-SSDOTTSWSA-N 1 0 330.370 -2.393 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185567105 790399516 /nfs/dbraw/zinc/39/95/16/790399516.db2.gz FVGBWTKMUKJJNW-MRVPVSSYSA-N 1 0 344.397 -2.051 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185567211 790399696 /nfs/dbraw/zinc/39/96/96/790399696.db2.gz IXZBUWPEXSESEO-MRVPVSSYSA-N 1 0 344.397 -2.003 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001185576108 790400521 /nfs/dbraw/zinc/40/05/21/790400521.db2.gz HPWHNLJHHATWPM-SNVBAGLBSA-N 1 0 335.364 -1.355 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185576127 790401690 /nfs/dbraw/zinc/40/16/90/790401690.db2.gz IAPSKIUAVIRIMU-HTQZYQBOSA-N 1 0 344.397 -2.004 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185576135 790401488 /nfs/dbraw/zinc/40/14/88/790401488.db2.gz IAPSKIUAVIRIMU-JGVFFNPUSA-N 1 0 344.397 -2.004 20 0 EAADRO COCCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185576515 790401278 /nfs/dbraw/zinc/40/12/78/790401278.db2.gz NAJCUCLXQGCCPI-SECBINFHSA-N 1 0 331.398 -1.102 20 0 EAADRO Cn1c(=O)cccc1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185576715 790399316 /nfs/dbraw/zinc/39/93/16/790399316.db2.gz OUMLMWAWWPYCHQ-LLVKDONJSA-N 1 0 342.421 -1.261 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185576721 790398636 /nfs/dbraw/zinc/39/86/36/790398636.db2.gz OVNANRRDQVIJKE-BDAKNGLRSA-N 1 0 347.397 -2.132 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185576724 790399197 /nfs/dbraw/zinc/39/91/97/790399197.db2.gz OVNANRRDQVIJKE-RKDXNWHRSA-N 1 0 347.397 -2.132 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1)C(=O)NC(N)=O ZINC001185576920 790399247 /nfs/dbraw/zinc/39/92/47/790399247.db2.gz RDCASCJKONZTCV-NXEZZACHSA-N 1 0 335.364 -1.227 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1)C(=O)NC(N)=O ZINC001185576922 790398954 /nfs/dbraw/zinc/39/89/54/790398954.db2.gz RDCASCJKONZTCV-VHSXEESVSA-N 1 0 335.364 -1.227 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185577158 790398878 /nfs/dbraw/zinc/39/88/78/790398878.db2.gz WBDPCQMGYYMWEY-DTWKUNHWSA-N 1 0 331.398 -1.104 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185577165 790398353 /nfs/dbraw/zinc/39/83/53/790398353.db2.gz WBDPCQMGYYMWEY-RKDXNWHRSA-N 1 0 331.398 -1.104 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185577363 790400682 /nfs/dbraw/zinc/40/06/82/790400682.db2.gz YJPCNCMSWHOPQL-SECBINFHSA-N 1 0 347.397 -2.130 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185577378 790401896 /nfs/dbraw/zinc/40/18/96/790401896.db2.gz YYIRESXSVMPMAH-DTWKUNHWSA-N 1 0 331.398 -1.104 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185577381 790401683 /nfs/dbraw/zinc/40/16/83/790401683.db2.gz YYIRESXSVMPMAH-RKDXNWHRSA-N 1 0 331.398 -1.104 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185577449 790401091 /nfs/dbraw/zinc/40/10/91/790401091.db2.gz ZYLKFNRHWSLNQL-SECBINFHSA-N 1 0 331.398 -1.102 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001185584307 790401745 /nfs/dbraw/zinc/40/17/45/790401745.db2.gz KNXUOZMWDKVQOW-NEPJUHHUSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C ZINC001185584309 790401039 /nfs/dbraw/zinc/40/10/39/790401039.db2.gz KNXUOZMWDKVQOW-NWDGAFQWSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C ZINC001185584311 790400777 /nfs/dbraw/zinc/40/07/77/790400777.db2.gz KNXUOZMWDKVQOW-RYUDHWBXSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001185584313 790400550 /nfs/dbraw/zinc/40/05/50/790400550.db2.gz KNXUOZMWDKVQOW-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO Cn1cnc2c1nccc2C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185593395 790401947 /nfs/dbraw/zinc/40/19/47/790401947.db2.gz JPIFPFFPQKZAGL-SECBINFHSA-N 1 0 345.363 -1.033 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]CCO)[C@@H](C)C2)c(=O)n1C ZINC001185594683 790401004 /nfs/dbraw/zinc/40/10/04/790401004.db2.gz HPBUDIOFBAZHQN-AAEUAGOBSA-N 1 0 325.413 -1.043 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]CCO)[C@H](C)C2)c(=O)n1C ZINC001185594684 790401606 /nfs/dbraw/zinc/40/16/06/790401606.db2.gz HPBUDIOFBAZHQN-DGCLKSJQSA-N 1 0 325.413 -1.043 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]CCO)[C@@H](C)C2)c(=O)n1C ZINC001185594685 790401821 /nfs/dbraw/zinc/40/18/21/790401821.db2.gz HPBUDIOFBAZHQN-WCQYABFASA-N 1 0 325.413 -1.043 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]CCO)[C@H](C)C2)c(=O)n1C ZINC001185594686 790401808 /nfs/dbraw/zinc/40/18/08/790401808.db2.gz HPBUDIOFBAZHQN-YPMHNXCESA-N 1 0 325.413 -1.043 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C2)c(=O)n1C ZINC001185595315 790401419 /nfs/dbraw/zinc/40/14/19/790401419.db2.gz RPEZIQNZTSPEPF-CMPLNLGQSA-N 1 0 338.412 -1.550 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C2)c(=O)n1C ZINC001185595316 790401074 /nfs/dbraw/zinc/40/10/74/790401074.db2.gz RPEZIQNZTSPEPF-JQWIXIFHSA-N 1 0 338.412 -1.550 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)c(=O)n1C ZINC001185595317 790401046 /nfs/dbraw/zinc/40/10/46/790401046.db2.gz RPEZIQNZTSPEPF-PWSUYJOCSA-N 1 0 338.412 -1.550 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C2)c(=O)n1C ZINC001185595318 790401175 /nfs/dbraw/zinc/40/11/75/790401175.db2.gz RPEZIQNZTSPEPF-ZYHUDNBSSA-N 1 0 338.412 -1.550 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC001185599557 790401023 /nfs/dbraw/zinc/40/10/23/790401023.db2.gz AKKPQVQKVBQNBE-SECBINFHSA-N 1 0 337.336 -1.362 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001185599858 790400891 /nfs/dbraw/zinc/40/08/91/790400891.db2.gz GRMYXQANPATPIT-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001185599860 790401383 /nfs/dbraw/zinc/40/13/83/790401383.db2.gz GRMYXQANPATPIT-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC001185599892 790400702 /nfs/dbraw/zinc/40/07/02/790400702.db2.gz HRCSKPIPOMMPBT-SNVBAGLBSA-N 1 0 344.393 -1.268 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1)C(=O)NC(N)=O ZINC001185600615 790401371 /nfs/dbraw/zinc/40/13/71/790401371.db2.gz SVARMCDQIUNTNX-IONNQARKSA-N 1 0 337.336 -1.234 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1)C(=O)NC(N)=O ZINC001185600616 790401729 /nfs/dbraw/zinc/40/17/29/790401729.db2.gz SVARMCDQIUNTNX-VXNVDRBHSA-N 1 0 337.336 -1.234 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001185600629 790401155 /nfs/dbraw/zinc/40/11/55/790401155.db2.gz UAPYGBVITCBZGG-NXEZZACHSA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001185600790 790401557 /nfs/dbraw/zinc/40/15/57/790401557.db2.gz UAPYGBVITCBZGG-ZJUUUORDSA-N 1 0 325.369 -1.569 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001185600849 790400982 /nfs/dbraw/zinc/40/09/82/790400982.db2.gz VKRJIJKMCTVPOM-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001185600851 790400625 /nfs/dbraw/zinc/40/06/25/790400625.db2.gz VKRJIJKMCTVPOM-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185604639 790400834 /nfs/dbraw/zinc/40/08/34/790400834.db2.gz NLQVGXUIVCAQNN-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185604640 790401792 /nfs/dbraw/zinc/40/17/92/790401792.db2.gz NLQVGXUIVCAQNN-MNOVXSKESA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185604641 790400945 /nfs/dbraw/zinc/40/09/45/790400945.db2.gz NLQVGXUIVCAQNN-QWRGUYRKSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185604642 790401579 /nfs/dbraw/zinc/40/15/79/790401579.db2.gz NLQVGXUIVCAQNN-WDEREUQCSA-N 1 0 334.442 -1.563 20 0 EAADRO CCc1c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nnn1CC ZINC001185625088 790405115 /nfs/dbraw/zinc/40/51/15/790405115.db2.gz RXOKLHWBZGBUFZ-SECBINFHSA-N 1 0 337.384 -1.141 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185628430 790401838 /nfs/dbraw/zinc/40/18/38/790401838.db2.gz JBKXDNSZUOWGFC-GHMZBOCLSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185628431 790401493 /nfs/dbraw/zinc/40/14/93/790401493.db2.gz JBKXDNSZUOWGFC-MNOVXSKESA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185628432 790401242 /nfs/dbraw/zinc/40/12/42/790401242.db2.gz JBKXDNSZUOWGFC-QWRGUYRKSA-N 1 0 337.384 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185628433 790401640 /nfs/dbraw/zinc/40/16/40/790401640.db2.gz JBKXDNSZUOWGFC-WDEREUQCSA-N 1 0 337.384 -1.453 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001185632590 790401107 /nfs/dbraw/zinc/40/11/07/790401107.db2.gz BBHZBOHSJHUAJF-FRRDWIJNSA-N 1 0 338.408 -1.264 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001185632618 790401661 /nfs/dbraw/zinc/40/16/61/790401661.db2.gz BZAWYRCRBSVTJT-FRRDWIJNSA-N 1 0 338.408 -1.264 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185632668 790401629 /nfs/dbraw/zinc/40/16/29/790401629.db2.gz CZVKAPKFKKKCSM-OUAUKWLOSA-N 1 0 333.410 -1.746 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185632676 790401355 /nfs/dbraw/zinc/40/13/55/790401355.db2.gz DEIFCRZTHMWYFL-GRYCIOLGSA-N 1 0 326.397 -1.312 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001185632712 790400847 /nfs/dbraw/zinc/40/08/47/790400847.db2.gz DPSBNGBOKFOOHH-FRRDWIJNSA-N 1 0 340.424 -1.099 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185632757 790401910 /nfs/dbraw/zinc/40/19/10/790401910.db2.gz DSIQSUUDZLUDNC-BXUZGUMPSA-N 1 0 346.453 -1.358 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185632758 790401250 /nfs/dbraw/zinc/40/12/50/790401250.db2.gz DSIQSUUDZLUDNC-RISCZKNCSA-N 1 0 346.453 -1.358 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185632760 790401434 /nfs/dbraw/zinc/40/14/34/790401434.db2.gz DTMZQHNHOQVFLU-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185632761 790400874 /nfs/dbraw/zinc/40/08/74/790400874.db2.gz DTMZQHNHOQVFLU-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185632769 790400582 /nfs/dbraw/zinc/40/05/82/790400582.db2.gz FBTQHFNTLUQUGJ-GRYCIOLGSA-N 1 0 347.437 -1.356 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185632812 790401541 /nfs/dbraw/zinc/40/15/41/790401541.db2.gz GOELNHDZUORCDX-HRDYMLBCSA-N 1 0 327.341 -2.595 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001185633061 790401520 /nfs/dbraw/zinc/40/15/20/790401520.db2.gz IPGSKSQWTGLNLR-GRYCIOLGSA-N 1 0 326.397 -1.441 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633124 790401219 /nfs/dbraw/zinc/40/12/19/790401219.db2.gz LLJFLAFLMCXEJO-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633125 790401404 /nfs/dbraw/zinc/40/14/04/790401404.db2.gz LLJFLAFLMCXEJO-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)C1CC1 ZINC001185633147 790402005 /nfs/dbraw/zinc/40/20/05/790402005.db2.gz MIYSPVVEQNQPFF-KGYLQXTDSA-N 1 0 338.408 -1.169 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633458 790401101 /nfs/dbraw/zinc/40/11/01/790401101.db2.gz NTPFBCSCXYOLKH-CJNGLKHVSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633459 790401427 /nfs/dbraw/zinc/40/14/27/790401427.db2.gz NTPFBCSCXYOLKH-CZUORRHYSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633460 790400764 /nfs/dbraw/zinc/40/07/64/790400764.db2.gz NUNNZLPETNFVII-FRRDWIJNSA-N 1 0 329.397 -1.127 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)O1 ZINC001185633483 790400665 /nfs/dbraw/zinc/40/06/65/790400665.db2.gz OFTRUBUZZQGIGY-HZSPNIEDSA-N 1 0 343.424 -1.178 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633508 790401703 /nfs/dbraw/zinc/40/17/03/790401703.db2.gz OZTGFWMMTCGYLH-KXUCPTDWSA-N 1 0 341.368 -2.335 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633512 790401968 /nfs/dbraw/zinc/40/19/68/790401968.db2.gz PDCRYGIFEDEPDA-FRRDWIJNSA-N 1 0 340.424 -1.018 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633556 790400735 /nfs/dbraw/zinc/40/07/35/790400735.db2.gz QINZWRYLZOQCSJ-BMIGLBTASA-N 1 0 339.396 -1.451 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633563 790401615 /nfs/dbraw/zinc/40/16/15/790401615.db2.gz QINZWRYLZOQCSJ-MEBBXXQBSA-N 1 0 339.396 -1.451 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001185633595 790401478 /nfs/dbraw/zinc/40/14/78/790401478.db2.gz QUOADVHZDPDDLJ-YIYPIFLZSA-N 1 0 343.424 -1.180 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001185633598 790401587 /nfs/dbraw/zinc/40/15/87/790401587.db2.gz QUOADVHZDPDDLJ-ZOBORPQBSA-N 1 0 343.424 -1.180 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633621 790401393 /nfs/dbraw/zinc/40/13/93/790401393.db2.gz RDUIUYNANBYKMU-GRYCIOLGSA-N 1 0 326.397 -1.266 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001185633913 790403316 /nfs/dbraw/zinc/40/33/16/790403316.db2.gz RYPYWBKQCKVQQO-FRRDWIJNSA-N 1 0 340.424 -1.051 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633933 790403665 /nfs/dbraw/zinc/40/36/65/790403665.db2.gz SGJVKZNTMOLQMO-GRYCIOLGSA-N 1 0 326.397 -1.264 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1)S(C)(=O)=O ZINC001185633943 790403238 /nfs/dbraw/zinc/40/32/38/790403238.db2.gz SRQQDVUZPKLFCD-BXUZGUMPSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1)S(C)(=O)=O ZINC001185633951 790403634 /nfs/dbraw/zinc/40/36/34/790403634.db2.gz SRQQDVUZPKLFCD-RISCZKNCSA-N 1 0 346.453 -1.406 20 0 EAADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCNC1=O ZINC001185633963 790403646 /nfs/dbraw/zinc/40/36/46/790403646.db2.gz UGJHKDCENODQNS-MFKMUULPSA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCNC1=O ZINC001185633964 790403564 /nfs/dbraw/zinc/40/35/64/790403564.db2.gz UGJHKDCENODQNS-ZWNOBZJWSA-N 1 0 332.426 -1.748 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185634370 790402446 /nfs/dbraw/zinc/40/24/46/790402446.db2.gz XIFZXTACJYWLJB-OTYXRUKQSA-N 1 0 325.369 -1.841 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185634373 790402630 /nfs/dbraw/zinc/40/26/30/790402630.db2.gz XIFZXTACJYWLJB-YMTOWFKASA-N 1 0 325.369 -1.841 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185634394 790403399 /nfs/dbraw/zinc/40/33/99/790403399.db2.gz YDNHATXNLFIXAL-OUAUKWLOSA-N 1 0 348.425 -2.241 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185639960 790403277 /nfs/dbraw/zinc/40/32/77/790403277.db2.gz GTGGOFBRUXWJSG-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185639963 790403643 /nfs/dbraw/zinc/40/36/43/790403643.db2.gz GTGGOFBRUXWJSG-UWVGGRQHSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185639966 790403416 /nfs/dbraw/zinc/40/34/16/790403416.db2.gz GTGGOFBRUXWJSG-VHSXEESVSA-N 1 0 325.369 -1.902 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185639968 790403026 /nfs/dbraw/zinc/40/30/26/790403026.db2.gz GTGGOFBRUXWJSG-ZJUUUORDSA-N 1 0 325.369 -1.902 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001185640796 790403605 /nfs/dbraw/zinc/40/36/05/790403605.db2.gz KXHNKRJJJJAPHG-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001185640797 790402713 /nfs/dbraw/zinc/40/27/13/790402713.db2.gz KXHNKRJJJJAPHG-MNOVXSKESA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC001185640798 790403207 /nfs/dbraw/zinc/40/32/07/790403207.db2.gz KXHNKRJJJJAPHG-QWRGUYRKSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC001185640799 790402821 /nfs/dbraw/zinc/40/28/21/790402821.db2.gz KXHNKRJJJJAPHG-WDEREUQCSA-N 1 0 339.396 -1.642 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C[NH2+]CCO ZINC001185641199 790403347 /nfs/dbraw/zinc/40/33/47/790403347.db2.gz OOFDHJWDCBXVOY-NEPJUHHUSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH2+]CCO ZINC001185641200 790403674 /nfs/dbraw/zinc/40/36/74/790403674.db2.gz OOFDHJWDCBXVOY-NWDGAFQWSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C[NH2+]CCO ZINC001185641201 790403377 /nfs/dbraw/zinc/40/33/77/790403377.db2.gz OOFDHJWDCBXVOY-RYUDHWBXSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH2+]CCO ZINC001185641202 790403217 /nfs/dbraw/zinc/40/32/17/790403217.db2.gz OOFDHJWDCBXVOY-VXGBXAGGSA-N 1 0 326.397 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185641219 790402989 /nfs/dbraw/zinc/40/29/89/790402989.db2.gz OUOHYXRNIHRIPN-GHMZBOCLSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185641220 790402424 /nfs/dbraw/zinc/40/24/24/790402424.db2.gz OUOHYXRNIHRIPN-MNOVXSKESA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185641221 790403703 /nfs/dbraw/zinc/40/37/03/790403703.db2.gz OUOHYXRNIHRIPN-QWRGUYRKSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185641222 790403620 /nfs/dbraw/zinc/40/36/20/790403620.db2.gz OUOHYXRNIHRIPN-WDEREUQCSA-N 1 0 339.396 -1.560 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C[NH2+]CCCO ZINC001185642699 790402465 /nfs/dbraw/zinc/40/24/65/790402465.db2.gz USDTWDAOUMEHPN-NEPJUHHUSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C[NH2+]CCCO ZINC001185642700 790403599 /nfs/dbraw/zinc/40/35/99/790403599.db2.gz USDTWDAOUMEHPN-NWDGAFQWSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C[NH2+]CCCO ZINC001185642701 790403039 /nfs/dbraw/zinc/40/30/39/790403039.db2.gz USDTWDAOUMEHPN-RYUDHWBXSA-N 1 0 326.397 -1.005 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C[NH2+]CCCO ZINC001185642702 790403050 /nfs/dbraw/zinc/40/30/50/790403050.db2.gz USDTWDAOUMEHPN-VXGBXAGGSA-N 1 0 326.397 -1.005 20 0 EAADRO Cn1cnc2ccc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)nc21 ZINC001185643363 790402833 /nfs/dbraw/zinc/40/28/33/790402833.db2.gz URGWIVHZJWUIKM-SECBINFHSA-N 1 0 345.363 -1.033 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001185643492 790403656 /nfs/dbraw/zinc/40/36/56/790403656.db2.gz YQLHYWFWLMUXBC-NEPJUHHUSA-N 1 0 338.408 -1.044 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC001185643493 790403609 /nfs/dbraw/zinc/40/36/09/790403609.db2.gz YQLHYWFWLMUXBC-NWDGAFQWSA-N 1 0 338.408 -1.044 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC001185643494 790403728 /nfs/dbraw/zinc/40/37/28/790403728.db2.gz YQLHYWFWLMUXBC-RYUDHWBXSA-N 1 0 338.408 -1.044 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001185643495 790402956 /nfs/dbraw/zinc/40/29/56/790402956.db2.gz YQLHYWFWLMUXBC-VXGBXAGGSA-N 1 0 338.408 -1.044 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185651551 790402552 /nfs/dbraw/zinc/40/25/52/790402552.db2.gz GKCXKKVMRXOCIV-NXEZZACHSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185651552 790402970 /nfs/dbraw/zinc/40/29/70/790402970.db2.gz GKCXKKVMRXOCIV-UWVGGRQHSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185651553 790403445 /nfs/dbraw/zinc/40/34/45/790403445.db2.gz GKCXKKVMRXOCIV-VHSXEESVSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185651554 790402906 /nfs/dbraw/zinc/40/29/06/790402906.db2.gz GKCXKKVMRXOCIV-ZJUUUORDSA-N 1 0 334.380 -1.251 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185663733 790404803 /nfs/dbraw/zinc/40/48/03/790404803.db2.gz PFURGEHPASJJNG-NXEZZACHSA-N 1 0 342.400 -1.686 20 0 EAADRO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185663739 790404820 /nfs/dbraw/zinc/40/48/20/790404820.db2.gz PFURGEHPASJJNG-UWVGGRQHSA-N 1 0 342.400 -1.686 20 0 EAADRO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185663740 790405096 /nfs/dbraw/zinc/40/50/96/790405096.db2.gz PFURGEHPASJJNG-VHSXEESVSA-N 1 0 342.400 -1.686 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185663741 790404884 /nfs/dbraw/zinc/40/48/84/790404884.db2.gz PFURGEHPASJJNG-ZJUUUORDSA-N 1 0 342.400 -1.686 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001185665082 790404449 /nfs/dbraw/zinc/40/44/49/790404449.db2.gz YTKJIEPMVQKLOL-GHMZBOCLSA-N 1 0 338.416 -1.157 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001185665083 790405247 /nfs/dbraw/zinc/40/52/47/790405247.db2.gz YTKJIEPMVQKLOL-MNOVXSKESA-N 1 0 338.416 -1.157 20 0 EAADRO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001185665085 790404924 /nfs/dbraw/zinc/40/49/24/790404924.db2.gz YTKJIEPMVQKLOL-QWRGUYRKSA-N 1 0 338.416 -1.157 20 0 EAADRO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001185665086 790406528 /nfs/dbraw/zinc/40/65/28/790406528.db2.gz YTKJIEPMVQKLOL-WDEREUQCSA-N 1 0 338.416 -1.157 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185680601 790406047 /nfs/dbraw/zinc/40/60/47/790406047.db2.gz FXMBWKCKOAUZLU-NXEZZACHSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185680602 790406850 /nfs/dbraw/zinc/40/68/50/790406850.db2.gz FXMBWKCKOAUZLU-UWVGGRQHSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185680604 790406489 /nfs/dbraw/zinc/40/64/89/790406489.db2.gz FXMBWKCKOAUZLU-VHSXEESVSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1C[NH2+]CC(N)=O ZINC001185680606 790406071 /nfs/dbraw/zinc/40/60/71/790406071.db2.gz FXMBWKCKOAUZLU-ZJUUUORDSA-N 1 0 337.380 -1.341 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C[NH2+]CCO ZINC001185681735 790405035 /nfs/dbraw/zinc/40/50/35/790405035.db2.gz MHZAKUBHMBKOLG-KBPBESRZSA-N 1 0 347.481 -1.217 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C[NH2+]CCO ZINC001185681740 790404684 /nfs/dbraw/zinc/40/46/84/790404684.db2.gz MHZAKUBHMBKOLG-KGLIPLIRSA-N 1 0 347.481 -1.217 20 0 EAADRO C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C[NH2+]CCO ZINC001185681741 790405326 /nfs/dbraw/zinc/40/53/26/790405326.db2.gz MHZAKUBHMBKOLG-UONOGXRCSA-N 1 0 347.481 -1.217 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C[NH2+]CCO ZINC001185681742 790404403 /nfs/dbraw/zinc/40/44/03/790404403.db2.gz MHZAKUBHMBKOLG-ZIAGYGMSSA-N 1 0 347.481 -1.217 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185684041 790405230 /nfs/dbraw/zinc/40/52/30/790405230.db2.gz CCPXBRLTEQRNFE-MXWKQRLJSA-N 1 0 337.380 -1.760 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684252 790404256 /nfs/dbraw/zinc/40/42/56/790404256.db2.gz IVDKIRLXXUDOPM-MXWKQRLJSA-N 1 0 332.426 -1.762 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185684271 790405166 /nfs/dbraw/zinc/40/51/66/790405166.db2.gz KAHPNQNJFGJITG-KXUCPTDWSA-N 1 0 325.369 -1.727 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n(C)n1 ZINC001185684304 790405013 /nfs/dbraw/zinc/40/50/13/790405013.db2.gz LFCHFWYBMYDPHR-UTUOFQBUSA-N 1 0 348.407 -1.021 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185684306 790405130 /nfs/dbraw/zinc/40/51/30/790405130.db2.gz LHIKFMZLUBRQQL-OUAUKWLOSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001185684451 790404538 /nfs/dbraw/zinc/40/45/38/790404538.db2.gz NRUNAFGWIGSJNZ-MXWKQRLJSA-N 1 0 339.396 -1.643 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001185684470 790404379 /nfs/dbraw/zinc/40/43/79/790404379.db2.gz ONNVOLHEEZHXEC-UTUOFQBUSA-N 1 0 331.438 -1.054 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684482 790405242 /nfs/dbraw/zinc/40/52/42/790405242.db2.gz PMEKARFSEMSPHL-UPJWGTAASA-N 1 0 326.397 -1.549 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185684775 790404705 /nfs/dbraw/zinc/40/47/05/790404705.db2.gz QXGVQHYCKUJKNY-BBBLOLIVSA-N 1 0 325.369 -1.904 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684826 790404006 /nfs/dbraw/zinc/40/40/06/790404006.db2.gz SFMIAQAAWMZNGI-UTUOFQBUSA-N 1 0 346.453 -1.420 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689386 790404020 /nfs/dbraw/zinc/40/40/20/790404020.db2.gz APFBDDBCDJYOSB-BBBLOLIVSA-N 1 0 325.369 -1.856 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001185689496 790405160 /nfs/dbraw/zinc/40/51/60/790405160.db2.gz DRHNBVMGIATQKE-XQHKEYJVSA-N 1 0 338.408 -1.718 20 0 EAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185689739 790404304 /nfs/dbraw/zinc/40/43/04/790404304.db2.gz KDQFBKAZDLOXHV-UTUOFQBUSA-N 1 0 346.453 -1.550 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)n1 ZINC001185689753 790404360 /nfs/dbraw/zinc/40/43/60/790404360.db2.gz KFXUHGXBOPMOIF-GFCCVEGCSA-N 1 0 329.426 -1.017 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001185689926 790405316 /nfs/dbraw/zinc/40/53/16/790405316.db2.gz LYVOFCICZWHJEX-MXWKQRLJSA-N 1 0 332.364 -1.273 20 0 EAADRO Cn1ncc(CCC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001185689965 790404870 /nfs/dbraw/zinc/40/48/70/790404870.db2.gz OCPDQHYSBJIDGS-GFCCVEGCSA-N 1 0 344.441 -1.513 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001185689977 790404997 /nfs/dbraw/zinc/40/49/97/790404997.db2.gz OTBHOUGFUUKOLN-HLTSFMKQSA-N 1 0 336.314 -1.023 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001185690006 790404937 /nfs/dbraw/zinc/40/49/37/790404937.db2.gz QNCPMRSHIYPDKO-MXWKQRLJSA-N 1 0 337.380 -1.714 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185690325 790404915 /nfs/dbraw/zinc/40/49/15/790404915.db2.gz RLEDCTDCOLABNC-UTUOFQBUSA-N 1 0 346.453 -1.372 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001185690360 790404230 /nfs/dbraw/zinc/40/42/30/790404230.db2.gz RVRGBNRYGNMXEL-LLVKDONJSA-N 1 0 337.384 -1.606 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185690367 790405023 /nfs/dbraw/zinc/40/50/23/790405023.db2.gz RXHSMANWMQVUFL-UTUOFQBUSA-N 1 0 326.397 -1.549 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)S(C)(=O)=O ZINC001185690407 790404175 /nfs/dbraw/zinc/40/41/75/790404175.db2.gz SOEZFPIJXUZVMQ-MXWKQRLJSA-N 1 0 332.426 -1.810 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185690426 790405175 /nfs/dbraw/zinc/40/51/75/790405175.db2.gz SYOFXLNMPLABKI-GRYCIOLGSA-N 1 0 346.453 -1.372 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185690448 790404893 /nfs/dbraw/zinc/40/48/93/790404893.db2.gz TUVZIMXGGQOYPT-MXWKQRLJSA-N 1 0 339.396 -1.466 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185690468 790405210 /nfs/dbraw/zinc/40/52/10/790405210.db2.gz UBHVJIKOCZLREL-UTUOFQBUSA-N 1 0 326.397 -1.549 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001185690496 790405083 /nfs/dbraw/zinc/40/50/83/790405083.db2.gz VCGAUYIVAMWVMV-HLTSFMKQSA-N 1 0 338.393 -1.212 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001185690503 790404771 /nfs/dbraw/zinc/40/47/71/790404771.db2.gz VNMSJXCCJYNKGS-UPJWGTAASA-N 1 0 338.408 -1.407 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1)C(=O)NC(N)=O ZINC001185690759 790405337 /nfs/dbraw/zinc/40/53/37/790405337.db2.gz YMGMQZYKOXZKJJ-GXSJLCMTSA-N 1 0 337.384 -1.478 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1)C(=O)NC(N)=O ZINC001185690761 790405298 /nfs/dbraw/zinc/40/52/98/790405298.db2.gz YMGMQZYKOXZKJJ-MWLCHTKSSA-N 1 0 337.384 -1.478 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001185697886 790404479 /nfs/dbraw/zinc/40/44/79/790404479.db2.gz KHTZVEFWRNIXQW-SECBINFHSA-N 1 0 328.394 -1.038 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1)C(=O)NC(N)=O ZINC001185699083 790404950 /nfs/dbraw/zinc/40/49/50/790404950.db2.gz RJIOJTDOZUKPRV-HTQZYQBOSA-N 1 0 336.352 -1.499 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1)C(=O)NC(N)=O ZINC001185699107 790405152 /nfs/dbraw/zinc/40/51/52/790405152.db2.gz RJIOJTDOZUKPRV-JGVFFNPUSA-N 1 0 336.352 -1.499 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001185699670 790405266 /nfs/dbraw/zinc/40/52/66/790405266.db2.gz WCSBZUIJMYIPQH-SECBINFHSA-N 1 0 343.409 -1.533 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001185699725 790404204 /nfs/dbraw/zinc/40/42/04/790404204.db2.gz XTTZMIOOKLNILE-MRVPVSSYSA-N 1 0 336.352 -1.627 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC001185705529 790405279 /nfs/dbraw/zinc/40/52/79/790405279.db2.gz FIQVVVVIYITACS-SNVBAGLBSA-N 1 0 349.395 -1.458 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001185709114 790406987 /nfs/dbraw/zinc/40/69/87/790406987.db2.gz DWAQBNOGPROHTH-NEPJUHHUSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001185709115 790406353 /nfs/dbraw/zinc/40/63/53/790406353.db2.gz DWAQBNOGPROHTH-NWDGAFQWSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001185709116 790405963 /nfs/dbraw/zinc/40/59/63/790405963.db2.gz DWAQBNOGPROHTH-RYUDHWBXSA-N 1 0 348.469 -1.302 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001185709117 790406454 /nfs/dbraw/zinc/40/64/54/790406454.db2.gz DWAQBNOGPROHTH-VXGBXAGGSA-N 1 0 348.469 -1.302 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001185709938 790407473 /nfs/dbraw/zinc/40/74/73/790407473.db2.gz ONKNPAYFOYEGFG-GHMZBOCLSA-N 1 0 334.442 -1.644 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001185709939 790406369 /nfs/dbraw/zinc/40/63/69/790406369.db2.gz ONKNPAYFOYEGFG-MNOVXSKESA-N 1 0 334.442 -1.644 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001185709940 790406971 /nfs/dbraw/zinc/40/69/71/790406971.db2.gz ONKNPAYFOYEGFG-QWRGUYRKSA-N 1 0 334.442 -1.644 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001185709941 790406463 /nfs/dbraw/zinc/40/64/63/790406463.db2.gz ONKNPAYFOYEGFG-WDEREUQCSA-N 1 0 334.442 -1.644 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001185711074 790406917 /nfs/dbraw/zinc/40/69/17/790406917.db2.gz YIFCSPYRZIFJPW-NEPJUHHUSA-N 1 0 348.469 -1.254 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001185711075 790406998 /nfs/dbraw/zinc/40/69/98/790406998.db2.gz YIFCSPYRZIFJPW-NWDGAFQWSA-N 1 0 348.469 -1.254 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001185711076 790406978 /nfs/dbraw/zinc/40/69/78/790406978.db2.gz YIFCSPYRZIFJPW-RYUDHWBXSA-N 1 0 348.469 -1.254 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001185711077 790407258 /nfs/dbraw/zinc/40/72/58/790407258.db2.gz YIFCSPYRZIFJPW-VXGBXAGGSA-N 1 0 348.469 -1.254 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccn3ccnc23)C1 ZINC001185723835 790406412 /nfs/dbraw/zinc/40/64/12/790406412.db2.gz PSXJMFINTBPBSA-SECBINFHSA-N 1 0 331.336 -1.272 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccn3ccnc23)C1 ZINC001185724303 790406307 /nfs/dbraw/zinc/40/63/07/790406307.db2.gz YGVVEERLSQXBGL-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO Cc1ccn(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001185731020 790406545 /nfs/dbraw/zinc/40/65/45/790406545.db2.gz KIKGBLOFCKWCKV-GFCCVEGCSA-N 1 0 329.426 -1.069 20 0 EAADRO C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185740200 790406826 /nfs/dbraw/zinc/40/68/26/790406826.db2.gz BHFLSAMCPZKJDP-NEPJUHHUSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185740201 790406701 /nfs/dbraw/zinc/40/67/01/790406701.db2.gz BHFLSAMCPZKJDP-NWDGAFQWSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@H]1C[NH2+]CC(N)=O ZINC001185740202 790406608 /nfs/dbraw/zinc/40/66/08/790406608.db2.gz BHFLSAMCPZKJDP-RYUDHWBXSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185740203 790405822 /nfs/dbraw/zinc/40/58/22/790405822.db2.gz BHFLSAMCPZKJDP-VXGBXAGGSA-N 1 0 348.469 -1.173 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)CC[C@@H]1C[NH2+]CCO ZINC001185740652 790406357 /nfs/dbraw/zinc/40/63/57/790406357.db2.gz CWNWEPIGSFIYOA-CHWSQXEVSA-N 1 0 338.412 -1.539 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)CC[C@H]1C[NH2+]CCO ZINC001185740653 790406964 /nfs/dbraw/zinc/40/69/64/790406964.db2.gz CWNWEPIGSFIYOA-OLZOCXBDSA-N 1 0 338.412 -1.539 20 0 EAADRO C[C@H]1CN(C(=O)CNC(=O)Cn2cncn2)CC[C@@H]1C[NH2+]CCO ZINC001185740654 790405814 /nfs/dbraw/zinc/40/58/14/790405814.db2.gz CWNWEPIGSFIYOA-QWHCGFSZSA-N 1 0 338.412 -1.539 20 0 EAADRO C[C@H]1CN(C(=O)CNC(=O)Cn2cncn2)CC[C@H]1C[NH2+]CCO ZINC001185740655 790405798 /nfs/dbraw/zinc/40/57/98/790405798.db2.gz CWNWEPIGSFIYOA-STQMWFEESA-N 1 0 338.412 -1.539 20 0 EAADRO COc1cc(=O)[nH]cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185742069 790406683 /nfs/dbraw/zinc/40/66/83/790406683.db2.gz FHYVDRVOLPZBCY-MRVPVSSYSA-N 1 0 337.336 -1.205 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185749142 790406749 /nfs/dbraw/zinc/40/67/49/790406749.db2.gz CIHONGNKBCPIJF-LLVKDONJSA-N 1 0 337.384 -1.227 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1)NC(=O)NC1CC1 ZINC001185749171 790406651 /nfs/dbraw/zinc/40/66/51/790406651.db2.gz DCIZADFLAAKRBY-GFCCVEGCSA-N 1 0 349.395 -1.084 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1)S(C)(=O)=O ZINC001185749242 790406723 /nfs/dbraw/zinc/40/67/23/790406723.db2.gz FKQFTCAVUWNLMT-GFCCVEGCSA-N 1 0 344.441 -1.181 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185749527 790406940 /nfs/dbraw/zinc/40/69/40/790406940.db2.gz KKHPLDHPNGAPRW-GXSJLCMTSA-N 1 0 337.384 -1.228 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185749539 790406471 /nfs/dbraw/zinc/40/64/71/790406471.db2.gz KKHPLDHPNGAPRW-MWLCHTKSSA-N 1 0 337.384 -1.228 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185749720 790407173 /nfs/dbraw/zinc/40/71/73/790407173.db2.gz MNWZSDOTMPFTQT-LLVKDONJSA-N 1 0 330.414 -1.523 20 0 EAADRO O=C(CCc1cn[nH]n1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185749907 790407006 /nfs/dbraw/zinc/40/70/06/790407006.db2.gz OZMPFPCMWHZRDS-GFCCVEGCSA-N 1 0 349.395 -1.130 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185750025 790406234 /nfs/dbraw/zinc/40/62/34/790406234.db2.gz PXJVVFXKKHXAMI-GFCCVEGCSA-N 1 0 344.441 -1.133 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185750030 790406197 /nfs/dbraw/zinc/40/61/97/790406197.db2.gz QJMDANBSXKHSDA-KGLIPLIRSA-N 1 0 341.412 -1.048 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185750031 790406578 /nfs/dbraw/zinc/40/65/78/790406578.db2.gz QJMDANBSXKHSDA-ZIAGYGMSSA-N 1 0 341.412 -1.048 20 0 EAADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185750412 790407483 /nfs/dbraw/zinc/40/74/83/790407483.db2.gz YFGNEFKSDKWSFD-GMTAPVOTSA-N 1 0 334.380 -1.091 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C[NH2+]CCCO ZINC001185752213 790405871 /nfs/dbraw/zinc/40/58/71/790405871.db2.gz QZHCCNNALMLUJS-NEPJUHHUSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C[NH2+]CCCO ZINC001185752217 790407347 /nfs/dbraw/zinc/40/73/47/790407347.db2.gz QZHCCNNALMLUJS-NWDGAFQWSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C[NH2+]CCCO ZINC001185752219 790406569 /nfs/dbraw/zinc/40/65/69/790406569.db2.gz QZHCCNNALMLUJS-RYUDHWBXSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C[NH2+]CCCO ZINC001185752221 790406743 /nfs/dbraw/zinc/40/67/43/790406743.db2.gz QZHCCNNALMLUJS-VXGBXAGGSA-N 1 0 338.412 -1.166 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185752849 790407336 /nfs/dbraw/zinc/40/73/36/790407336.db2.gz VHYSADISLADFIJ-NXEZZACHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185752850 790406638 /nfs/dbraw/zinc/40/66/38/790406638.db2.gz VHYSADISLADFIJ-UWVGGRQHSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185752851 790407362 /nfs/dbraw/zinc/40/73/62/790407362.db2.gz VHYSADISLADFIJ-VHSXEESVSA-N 1 0 337.384 -2.064 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185752852 790407274 /nfs/dbraw/zinc/40/72/74/790407274.db2.gz VHYSADISLADFIJ-ZJUUUORDSA-N 1 0 337.384 -2.064 20 0 EAADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)ncc1C(N)=O ZINC001185758448 790406795 /nfs/dbraw/zinc/40/67/95/790406795.db2.gz FBKPHJLPMQUFTD-SECBINFHSA-N 1 0 348.363 -1.512 20 0 EAADRO O=C([C@@H]1CCc2nnnn2CC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185775887 790406391 /nfs/dbraw/zinc/40/63/91/790406391.db2.gz MUZVUGTYMREUGE-CHWSQXEVSA-N 1 0 338.412 -1.175 20 0 EAADRO O=C([C@H]1CCc2nnnn2CC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185775888 790405974 /nfs/dbraw/zinc/40/59/74/790405974.db2.gz MUZVUGTYMREUGE-QWHCGFSZSA-N 1 0 338.412 -1.175 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001185776028 790406789 /nfs/dbraw/zinc/40/67/89/790406789.db2.gz OWAKNJPSJMDGEZ-JHJVBQTASA-N 1 0 338.412 -1.177 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001185776029 790406771 /nfs/dbraw/zinc/40/67/71/790406771.db2.gz OWAKNJPSJMDGEZ-UPJWGTAASA-N 1 0 338.412 -1.177 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001185776030 790406385 /nfs/dbraw/zinc/40/63/85/790406385.db2.gz OWAKNJPSJMDGEZ-XQQFMLRXSA-N 1 0 338.412 -1.177 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001185776031 790406141 /nfs/dbraw/zinc/40/61/41/790406141.db2.gz OWAKNJPSJMDGEZ-YNEHKIRRSA-N 1 0 338.412 -1.177 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001185776065 790406082 /nfs/dbraw/zinc/40/60/82/790406082.db2.gz QBNYQFRDPMVJJK-NWDGAFQWSA-N 1 0 335.412 -1.096 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001185776066 790406856 /nfs/dbraw/zinc/40/68/56/790406856.db2.gz QBNYQFRDPMVJJK-VXGBXAGGSA-N 1 0 335.412 -1.096 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001185776267 790405935 /nfs/dbraw/zinc/40/59/35/790405935.db2.gz ZKMQHNWPINOLQO-NWDGAFQWSA-N 1 0 335.412 -1.048 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001185776268 790406617 /nfs/dbraw/zinc/40/66/17/790406617.db2.gz ZKMQHNWPINOLQO-VXGBXAGGSA-N 1 0 335.412 -1.048 20 0 EAADRO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cn1 ZINC001185791900 790408250 /nfs/dbraw/zinc/40/82/50/790408250.db2.gz UDZYCFDXQBWGED-GRYCIOLGSA-N 1 0 334.380 -1.091 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185800060 790406929 /nfs/dbraw/zinc/40/69/29/790406929.db2.gz SLFDQGMPOUNMDS-GHMZBOCLSA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185800063 790407394 /nfs/dbraw/zinc/40/73/94/790407394.db2.gz SLFDQGMPOUNMDS-MNOVXSKESA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@H]1CN(C(=O)CCCC(N)=O)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185800065 790406629 /nfs/dbraw/zinc/40/66/29/790406629.db2.gz SLFDQGMPOUNMDS-QWRGUYRKSA-N 1 0 341.412 -1.089 20 0 EAADRO C[C@H]1CN(C(=O)CCCC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185800067 790408010 /nfs/dbraw/zinc/40/80/10/790408010.db2.gz SLFDQGMPOUNMDS-WDEREUQCSA-N 1 0 341.412 -1.089 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C1 ZINC001185805835 790408849 /nfs/dbraw/zinc/40/88/49/790408849.db2.gz DFAHLOQCGRWQKP-NEPJUHHUSA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C1 ZINC001185805836 790408662 /nfs/dbraw/zinc/40/86/62/790408662.db2.gz DFAHLOQCGRWQKP-VXGBXAGGSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001185806318 790408741 /nfs/dbraw/zinc/40/87/41/790408741.db2.gz IJIYOBKUOBOKIS-GHMZBOCLSA-N 1 0 327.385 -1.453 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001185806319 790408938 /nfs/dbraw/zinc/40/89/38/790408938.db2.gz IJIYOBKUOBOKIS-MNOVXSKESA-N 1 0 327.385 -1.453 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001185806322 790409111 /nfs/dbraw/zinc/40/91/11/790409111.db2.gz INHLCLSYUMHGBD-CHWSQXEVSA-N 1 0 348.469 -1.017 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001185806323 790409146 /nfs/dbraw/zinc/40/91/46/790409146.db2.gz INHLCLSYUMHGBD-OLZOCXBDSA-N 1 0 348.469 -1.017 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001185806340 790408922 /nfs/dbraw/zinc/40/89/22/790408922.db2.gz JJXRLVPOLPGLRM-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001185806341 790408451 /nfs/dbraw/zinc/40/84/51/790408451.db2.gz JJXRLVPOLPGLRM-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185814631 790408620 /nfs/dbraw/zinc/40/86/20/790408620.db2.gz MXPJGNDSXJOVFL-NEPJUHHUSA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185814632 790408722 /nfs/dbraw/zinc/40/87/22/790408722.db2.gz MXPJGNDSXJOVFL-VXGBXAGGSA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001185814978 790408919 /nfs/dbraw/zinc/40/89/19/790408919.db2.gz UKSJIJWZEJIFGG-NEPJUHHUSA-N 1 0 339.396 -1.357 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001185814979 790408130 /nfs/dbraw/zinc/40/81/30/790408130.db2.gz UKSJIJWZEJIFGG-VXGBXAGGSA-N 1 0 339.396 -1.357 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001185823323 790407898 /nfs/dbraw/zinc/40/78/98/790407898.db2.gz MYYUEUDMTVSPQJ-LLVKDONJSA-N 1 0 348.363 -1.803 20 0 EAADRO O=C(CNC(=O)c1cccnc1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001185823839 790407954 /nfs/dbraw/zinc/40/79/54/790407954.db2.gz ZFOUZZBYZJDWIR-CHWSQXEVSA-N 1 0 331.376 -1.110 20 0 EAADRO O=C(CNC(=O)c1cccnc1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001185823840 790409033 /nfs/dbraw/zinc/40/90/33/790409033.db2.gz ZFOUZZBYZJDWIR-OLZOCXBDSA-N 1 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ZINC001185864372 790410370 /nfs/dbraw/zinc/41/03/70/790410370.db2.gz PXYBXPLLLJZJJW-ZDUSSCGKSA-N 1 0 349.399 -1.400 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C)C[C@H]1C(=O)OC ZINC001185865972 790410193 /nfs/dbraw/zinc/41/01/93/790410193.db2.gz LDCRWLWIAVBNEV-UWVGGRQHSA-N 1 0 344.368 -1.708 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C)C[C@@H]1C(=O)OC ZINC001185865973 790410924 /nfs/dbraw/zinc/41/09/24/790410924.db2.gz LDCRWLWIAVBNEV-VHSXEESVSA-N 1 0 344.368 -1.708 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CCOC)CC1 ZINC001185866597 790410462 /nfs/dbraw/zinc/41/04/62/790410462.db2.gz GUSYPYNZHMZSPZ-NSHDSACASA-N 1 0 330.385 -1.233 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001185866797 790410550 /nfs/dbraw/zinc/41/05/50/790410550.db2.gz QHCZBXOLGNCZEQ-JTQLQIEISA-N 1 0 336.352 -1.229 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001185870013 790409806 /nfs/dbraw/zinc/40/98/06/790409806.db2.gz PWYQUJANZXJHMD-JQWIXIFHSA-N 1 0 342.396 -1.092 20 0 EAADRO NC(=O)NCC(=O)N1CCC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001185872432 790407916 /nfs/dbraw/zinc/40/79/16/790407916.db2.gz ICCBDKGTZVZHOR-GFCCVEGCSA-N 1 0 339.400 -1.418 20 0 EAADRO NC(=O)NCC(=O)N1CCC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001185872436 790408707 /nfs/dbraw/zinc/40/87/07/790408707.db2.gz ICCBDKGTZVZHOR-LBPRGKRZSA-N 1 0 339.400 -1.418 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 ZINC001185873782 790409283 /nfs/dbraw/zinc/40/92/83/790409283.db2.gz YXPFXSZWEMNJKC-CMPLNLGQSA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 ZINC001185873783 790409348 /nfs/dbraw/zinc/40/93/48/790409348.db2.gz YXPFXSZWEMNJKC-JQWIXIFHSA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 ZINC001185873784 790408782 /nfs/dbraw/zinc/40/87/82/790408782.db2.gz YXPFXSZWEMNJKC-PWSUYJOCSA-N 1 0 339.400 -1.420 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 ZINC001185873785 790408219 /nfs/dbraw/zinc/40/82/19/790408219.db2.gz YXPFXSZWEMNJKC-ZYHUDNBSSA-N 1 0 339.400 -1.420 20 0 EAADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(N)=O)NC(=O)OCC ZINC001185874123 790409076 /nfs/dbraw/zinc/40/90/76/790409076.db2.gz FRYPRXAQOVQKFU-VIFPVBQESA-N 1 0 332.357 -1.673 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001185874221 790408837 /nfs/dbraw/zinc/40/88/37/790408837.db2.gz IBDRFPQGXNCFMT-QMMMGPOBSA-N 1 0 349.348 -2.359 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001185874900 790409093 /nfs/dbraw/zinc/40/90/93/790409093.db2.gz PUVXCOJBFWDFKO-LBPRGKRZSA-N 1 0 343.428 -1.270 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(C(=N)N)c1cc(C)[nH]n1 ZINC001185879854 790410290 /nfs/dbraw/zinc/41/02/90/790410290.db2.gz KATQFLCIBNTHSG-ZETCQYMHSA-N 1 0 325.329 -1.065 20 0 EAADRO O=C(c1ccnnc1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001185881155 790410106 /nfs/dbraw/zinc/41/01/06/790410106.db2.gz BNEJQAVXFDXPRJ-CHWSQXEVSA-N 1 0 347.375 -1.209 20 0 EAADRO O=C(c1ccnnc1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001185881160 790410432 /nfs/dbraw/zinc/41/04/32/790410432.db2.gz BNEJQAVXFDXPRJ-OLZOCXBDSA-N 1 0 347.375 -1.209 20 0 EAADRO COC(=O)NCC(=O)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 ZINC001185882904 790410908 /nfs/dbraw/zinc/41/09/08/790410908.db2.gz JLXXWHHOHLTZCZ-GFCCVEGCSA-N 1 0 340.384 -1.121 20 0 EAADRO COC(=O)NCC(=O)N1CCC[C@H](n2cc(CNCCO)nn2)C1 ZINC001185882906 790410310 /nfs/dbraw/zinc/41/03/10/790410310.db2.gz JLXXWHHOHLTZCZ-LBPRGKRZSA-N 1 0 340.384 -1.121 20 0 EAADRO O=C([C@@H]1COCCO1)N1CCC[C@H](n2cc(CNCCO)nn2)C1 ZINC001185883211 790410758 /nfs/dbraw/zinc/41/07/58/790410758.db2.gz MOTILCZPJPQLDE-KBPBESRZSA-N 1 0 339.396 -1.061 20 0 EAADRO O=C([C@@H]1COCCO1)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 ZINC001185883232 790410358 /nfs/dbraw/zinc/41/03/58/790410358.db2.gz MOTILCZPJPQLDE-KGLIPLIRSA-N 1 0 339.396 -1.061 20 0 EAADRO O=C([C@H]1COCCO1)N1CCC[C@H](n2cc(CNCCO)nn2)C1 ZINC001185883315 790410862 /nfs/dbraw/zinc/41/08/62/790410862.db2.gz MOTILCZPJPQLDE-UONOGXRCSA-N 1 0 339.396 -1.061 20 0 EAADRO NC(=O)CNCc1cn([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001185890147 790410559 /nfs/dbraw/zinc/41/05/59/790410559.db2.gz CXMZMTGRDSOWRH-NWDGAFQWSA-N 1 0 349.395 -1.705 20 0 EAADRO NC(=O)CNCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001185890149 790410522 /nfs/dbraw/zinc/41/05/22/790410522.db2.gz CXMZMTGRDSOWRH-VXGBXAGGSA-N 1 0 349.395 -1.705 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 ZINC001185890492 790410876 /nfs/dbraw/zinc/41/08/76/790410876.db2.gz GBHUJRFXUFLQEM-CHWSQXEVSA-N 1 0 336.396 -1.198 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1CCC[C@H](n2cc(CNCCO)nn2)C1 ZINC001185890494 790410031 /nfs/dbraw/zinc/41/00/31/790410031.db2.gz GBHUJRFXUFLQEM-QWHCGFSZSA-N 1 0 336.396 -1.198 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 ZINC001185892059 790410725 /nfs/dbraw/zinc/41/07/25/790410725.db2.gz ROKHKBGZSVNZID-GFCCVEGCSA-N 1 0 345.425 -1.432 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@H](n2cc(CNCCO)nn2)C1 ZINC001185892061 790409902 /nfs/dbraw/zinc/40/99/02/790409902.db2.gz ROKHKBGZSVNZID-LBPRGKRZSA-N 1 0 345.425 -1.432 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185893184 790410387 /nfs/dbraw/zinc/41/03/87/790410387.db2.gz JRRXSXXARZVZCS-UHFFFAOYSA-N 1 0 347.788 -1.191 20 0 EAADRO CNC(=O)CNCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 ZINC001185899181 790409994 /nfs/dbraw/zinc/40/99/94/790409994.db2.gz JLAOGDGWACSSGS-LLVKDONJSA-N 1 0 337.384 -1.847 20 0 EAADRO CNC(=O)CNCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 ZINC001185899182 790410626 /nfs/dbraw/zinc/41/06/26/790410626.db2.gz JLAOGDGWACSSGS-NSHDSACASA-N 1 0 337.384 -1.847 20 0 EAADRO C[C@H](NCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1)C(N)=O ZINC001185900905 790410792 /nfs/dbraw/zinc/41/07/92/790410792.db2.gz ZHLBRZKBSIRUEF-GXSJLCMTSA-N 1 0 337.384 -1.720 20 0 EAADRO C[C@@H](NCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1)C(N)=O ZINC001185900906 790410143 /nfs/dbraw/zinc/41/01/43/790410143.db2.gz ZHLBRZKBSIRUEF-KOLCDFICSA-N 1 0 337.384 -1.720 20 0 EAADRO C[C@@H](NCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1)C(N)=O ZINC001185900907 790410635 /nfs/dbraw/zinc/41/06/35/790410635.db2.gz ZHLBRZKBSIRUEF-MWLCHTKSSA-N 1 0 337.384 -1.720 20 0 EAADRO C[C@H](NCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1)C(N)=O ZINC001185900908 790410802 /nfs/dbraw/zinc/41/08/02/790410802.db2.gz ZHLBRZKBSIRUEF-ONGXEEELSA-N 1 0 337.384 -1.720 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NCc2nnnn2C)C1 ZINC001185904908 790410490 /nfs/dbraw/zinc/41/04/90/790410490.db2.gz JSFQXAXFYLAOTO-DTWKUNHWSA-N 1 0 331.402 -2.162 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NCc2nnnn2C)C1 ZINC001185904913 790410680 /nfs/dbraw/zinc/41/06/80/790410680.db2.gz JSFQXAXFYLAOTO-RKDXNWHRSA-N 1 0 331.402 -2.162 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NCc2nncn2C)C1 ZINC001185905760 790410669 /nfs/dbraw/zinc/41/06/69/790410669.db2.gz ZGNKOULTSZNBIE-NXEZZACHSA-N 1 0 330.414 -1.557 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NCc2nncn2C)C1 ZINC001185905761 790410534 /nfs/dbraw/zinc/41/05/34/790410534.db2.gz ZGNKOULTSZNBIE-VHSXEESVSA-N 1 0 330.414 -1.557 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185912278 790411675 /nfs/dbraw/zinc/41/16/75/790411675.db2.gz BUKBONFEDQOUBF-GHMZBOCLSA-N 1 0 334.442 -1.361 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185912286 790411609 /nfs/dbraw/zinc/41/16/09/790411609.db2.gz BUKBONFEDQOUBF-WDEREUQCSA-N 1 0 334.442 -1.361 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001185912314 790412446 /nfs/dbraw/zinc/41/24/46/790412446.db2.gz CDXDETNFTUDXJW-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001185912315 790412810 /nfs/dbraw/zinc/41/28/10/790412810.db2.gz CDXDETNFTUDXJW-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001185912336 790412338 /nfs/dbraw/zinc/41/23/38/790412338.db2.gz CLNCBYSINHKHQX-GHMZBOCLSA-N 1 0 347.441 -1.860 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001185912339 790412574 /nfs/dbraw/zinc/41/25/74/790412574.db2.gz CLNCBYSINHKHQX-WDEREUQCSA-N 1 0 347.441 -1.860 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001185912527 790412005 /nfs/dbraw/zinc/41/20/05/790412005.db2.gz GJMDJLWFDLIAMA-GXSJLCMTSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001185912528 790411663 /nfs/dbraw/zinc/41/16/63/790411663.db2.gz GJMDJLWFDLIAMA-MWLCHTKSSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001185912749 790412124 /nfs/dbraw/zinc/41/21/24/790412124.db2.gz JDUWZDBUBVPVEK-CMPLNLGQSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001185912750 790412656 /nfs/dbraw/zinc/41/26/56/790412656.db2.gz JDUWZDBUBVPVEK-ZYHUDNBSSA-N 1 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C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185912794 790411685 /nfs/dbraw/zinc/41/16/85/790411685.db2.gz LDWRJISUSBHFRG-JGVFFNPUSA-N 1 0 335.386 -2.691 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185912930 790412187 /nfs/dbraw/zinc/41/21/87/790412187.db2.gz MCIBSPTYTCUZHV-NWDGAFQWSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185912931 790412402 /nfs/dbraw/zinc/41/24/02/790412402.db2.gz MCIBSPTYTCUZHV-VXGBXAGGSA-N 1 0 348.469 -1.113 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001185912937 790412412 /nfs/dbraw/zinc/41/24/12/790412412.db2.gz MMXAIQKOMDHEBQ-GHMZBOCLSA-N 1 0 330.414 -1.594 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001185912938 790412212 /nfs/dbraw/zinc/41/22/12/790412212.db2.gz MMXAIQKOMDHEBQ-WDEREUQCSA-N 1 0 330.414 -1.594 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185912994 790412021 /nfs/dbraw/zinc/41/20/21/790412021.db2.gz PFUDSDRHAUTXQL-NWDGAFQWSA-N 1 0 348.469 -1.019 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185912995 790411495 /nfs/dbraw/zinc/41/14/95/790411495.db2.gz PFUDSDRHAUTXQL-VXGBXAGGSA-N 1 0 348.469 -1.019 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185913008 790412050 /nfs/dbraw/zinc/41/20/50/790412050.db2.gz QDTPNMSKHWQMJU-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185913009 790411427 /nfs/dbraw/zinc/41/14/27/790411427.db2.gz QDTPNMSKHWQMJU-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001185913164 790413324 /nfs/dbraw/zinc/41/33/24/790413324.db2.gz RWIULMDJZQVRMZ-NXEZZACHSA-N 1 0 330.414 -1.557 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001185913165 790414538 /nfs/dbraw/zinc/41/45/38/790414538.db2.gz RWIULMDJZQVRMZ-VHSXEESVSA-N 1 0 330.414 -1.557 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185913239 790414324 /nfs/dbraw/zinc/41/43/24/790414324.db2.gz VBDRQGPTLUPWEK-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185913240 790414007 /nfs/dbraw/zinc/41/40/07/790414007.db2.gz VBDRQGPTLUPWEK-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001185913349 790414063 /nfs/dbraw/zinc/41/40/63/790414063.db2.gz WBHQXTRBOGMAFK-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001185913350 790414311 /nfs/dbraw/zinc/41/43/11/790414311.db2.gz WBHQXTRBOGMAFK-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185913368 790414223 /nfs/dbraw/zinc/41/42/23/790414223.db2.gz WNMWEVFWALIRDY-NWDGAFQWSA-N 1 0 337.442 -1.222 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185913369 790414502 /nfs/dbraw/zinc/41/45/02/790414502.db2.gz WNMWEVFWALIRDY-VXGBXAGGSA-N 1 0 337.442 -1.222 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185913385 790414345 /nfs/dbraw/zinc/41/43/45/790414345.db2.gz XXMXQECGQFLNAO-GHMZBOCLSA-N 1 0 344.441 -1.074 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185913386 790413615 /nfs/dbraw/zinc/41/36/15/790413615.db2.gz XXMXQECGQFLNAO-WDEREUQCSA-N 1 0 344.441 -1.074 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001185913413 790414505 /nfs/dbraw/zinc/41/45/05/790414505.db2.gz YWKUMEZRFWJVLZ-CMPLNLGQSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001185913414 790414511 /nfs/dbraw/zinc/41/45/11/790414511.db2.gz YWKUMEZRFWJVLZ-ZYHUDNBSSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001185913432 790414154 /nfs/dbraw/zinc/41/41/54/790414154.db2.gz ZTUFNSJUAPBLSZ-NXEZZACHSA-N 1 0 341.455 -1.841 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001185913433 790413685 /nfs/dbraw/zinc/41/36/85/790413685.db2.gz ZTUFNSJUAPBLSZ-VHSXEESVSA-N 1 0 341.455 -1.841 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001185926362 790414367 /nfs/dbraw/zinc/41/43/67/790414367.db2.gz SUVACHMEBVEDDX-DGCLKSJQSA-N 1 0 349.391 -1.347 20 0 EAADRO O=C(Cc1cnc[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001185926367 790413945 /nfs/dbraw/zinc/41/39/45/790413945.db2.gz SUVACHMEBVEDDX-YPMHNXCESA-N 1 0 349.391 -1.347 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185939963 790412302 /nfs/dbraw/zinc/41/23/02/790412302.db2.gz ABAFDQLSUFYPTL-RQJHMYQMSA-N 1 0 326.313 -3.030 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185939972 790411745 /nfs/dbraw/zinc/41/17/45/790411745.db2.gz ATKMWZWMFQPGSU-ZJUUUORDSA-N 1 0 346.409 -1.790 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940104 790412793 /nfs/dbraw/zinc/41/27/93/790412793.db2.gz CDFBBVDSKUWNEP-ZJUUUORDSA-N 1 0 325.369 -1.747 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940155 790411910 /nfs/dbraw/zinc/41/19/10/790411910.db2.gz CTDCTQHRDBZKHF-BDAKNGLRSA-N 1 0 332.382 -2.180 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)NCC1CC1 ZINC001185940201 790412480 /nfs/dbraw/zinc/41/24/80/790412480.db2.gz DUJBDSKJESGKTH-MNOVXSKESA-N 1 0 337.380 -1.699 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940203 790412748 /nfs/dbraw/zinc/41/27/48/790412748.db2.gz DYGYQECQBCWECF-BDAKNGLRSA-N 1 0 347.397 -2.676 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(=O)N(C)C ZINC001185940331 790412093 /nfs/dbraw/zinc/41/20/93/790412093.db2.gz GHDBIAFCNBIICK-AEJSXWLSSA-N 1 0 325.369 -1.748 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(=O)N(C)C ZINC001185940333 790412599 /nfs/dbraw/zinc/41/25/99/790412599.db2.gz GHDBIAFCNBIICK-BBBLOLIVSA-N 1 0 325.369 -1.748 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940360 790411624 /nfs/dbraw/zinc/41/16/24/790411624.db2.gz GRRUHIJQOZGLIC-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940374 790412499 /nfs/dbraw/zinc/41/24/99/790412499.db2.gz GXFWULBWYHEZFF-AXFHLTTASA-N 1 0 339.396 -1.310 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940376 790411878 /nfs/dbraw/zinc/41/18/78/790411878.db2.gz GXFWULBWYHEZFF-MXWKQRLJSA-N 1 0 339.396 -1.310 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940737 790412146 /nfs/dbraw/zinc/41/21/46/790412146.db2.gz LXEWWDFNFWHCOE-MNOVXSKESA-N 1 0 339.396 -1.453 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940795 790412421 /nfs/dbraw/zinc/41/24/21/790412421.db2.gz MTHZYCVAEJIUGV-MNOVXSKESA-N 1 0 339.396 -1.358 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940797 790412678 /nfs/dbraw/zinc/41/26/78/790412678.db2.gz MUHXMEHFFQQXDK-AXFHLTTASA-N 1 0 339.396 -1.310 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940798 790412451 /nfs/dbraw/zinc/41/24/51/790412451.db2.gz MUHXMEHFFQQXDK-MXWKQRLJSA-N 1 0 339.396 -1.310 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940814 790412318 /nfs/dbraw/zinc/41/23/18/790412318.db2.gz NJKHBHWSBCPNIY-ZJUUUORDSA-N 1 0 325.369 -1.700 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940943 790412284 /nfs/dbraw/zinc/41/22/84/790412284.db2.gz PBAJGFNTQGXEJN-SFYZADRCSA-N 1 0 340.340 -2.769 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941073 790412035 /nfs/dbraw/zinc/41/20/35/790412035.db2.gz QRTJARDMUAXKGG-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941083 790412590 /nfs/dbraw/zinc/41/25/90/790412590.db2.gz ROIIYIRCXANMAE-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C1CC1 ZINC001185941114 790411473 /nfs/dbraw/zinc/41/14/73/790411473.db2.gz SZLUCNPCDWURLR-KOLCDFICSA-N 1 0 337.380 -1.604 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001185941115 790411949 /nfs/dbraw/zinc/41/19/49/790411949.db2.gz SZWVSLFGEULIBP-MXWKQRLJSA-N 1 0 339.396 -1.181 20 0 EAADRO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001185941116 790411826 /nfs/dbraw/zinc/41/18/26/790411826.db2.gz SZWVSLFGEULIBP-VWYCJHECSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(=O)NC1CC1 ZINC001185941128 790412377 /nfs/dbraw/zinc/41/23/77/790412377.db2.gz UEFXTGYRALJZIV-GDPRMGEGSA-N 1 0 337.380 -1.558 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(=O)NC1CC1 ZINC001185941129 790412582 /nfs/dbraw/zinc/41/25/82/790412582.db2.gz UEFXTGYRALJZIV-IEBDPFPHSA-N 1 0 337.380 -1.558 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(=O)NC(N)=O ZINC001185941306 790412461 /nfs/dbraw/zinc/41/24/61/790412461.db2.gz WYFSFNCEGUYCKF-PRJMDXOYSA-N 1 0 340.340 -2.642 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(=O)NC(N)=O ZINC001185941311 790412636 /nfs/dbraw/zinc/41/26/36/790412636.db2.gz WYFSFNCEGUYCKF-RNJXMRFFSA-N 1 0 340.340 -2.642 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941346 790412561 /nfs/dbraw/zinc/41/25/61/790412561.db2.gz XZUFBYLANWAOCY-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C1CC1 ZINC001185941350 790412740 /nfs/dbraw/zinc/41/27/40/790412740.db2.gz YENAKJSKQXHNMN-MNOVXSKESA-N 1 0 337.380 -1.699 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941351 790411712 /nfs/dbraw/zinc/41/17/12/790411712.db2.gz YKJSLRJZPPWAGT-MNOVXSKESA-N 1 0 328.369 -1.562 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 ZINC001185950650 790412258 /nfs/dbraw/zinc/41/22/58/790412258.db2.gz DRNPWTHIKOFIRQ-SECBINFHSA-N 1 0 328.760 -1.078 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001185954374 790411733 /nfs/dbraw/zinc/41/17/33/790411733.db2.gz MNFOULCYACRTRN-AAEUAGOBSA-N 1 0 349.399 -1.401 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001185954375 790412514 /nfs/dbraw/zinc/41/25/14/790412514.db2.gz MNFOULCYACRTRN-DGCLKSJQSA-N 1 0 349.399 -1.401 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001185954376 790411651 /nfs/dbraw/zinc/41/16/51/790411651.db2.gz MNFOULCYACRTRN-WCQYABFASA-N 1 0 349.399 -1.401 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001185954377 790412062 /nfs/dbraw/zinc/41/20/62/790412062.db2.gz MNFOULCYACRTRN-YPMHNXCESA-N 1 0 349.399 -1.401 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001185955604 790411762 /nfs/dbraw/zinc/41/17/62/790411762.db2.gz UUMGPQDBUHUYKE-CYBMUJFWSA-N 1 0 349.399 -1.400 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001185955605 790412471 /nfs/dbraw/zinc/41/24/71/790412471.db2.gz UUMGPQDBUHUYKE-ZDUSSCGKSA-N 1 0 349.399 -1.400 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001185958789 790416512 /nfs/dbraw/zinc/41/65/12/790416512.db2.gz AFHZORSJDVOZFY-GFCCVEGCSA-N 1 0 344.441 -1.493 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001185958850 790416055 /nfs/dbraw/zinc/41/60/55/790416055.db2.gz CSEYTMIKXNGVJC-SNVBAGLBSA-N 1 0 345.429 -2.098 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001185958875 790416431 /nfs/dbraw/zinc/41/64/31/790416431.db2.gz DIRULNBOBDXOQH-LLVKDONJSA-N 1 0 344.441 -1.493 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001185959011 790416802 /nfs/dbraw/zinc/41/68/02/790416802.db2.gz FKNBMPNZMSXREG-LLVKDONJSA-N 1 0 344.441 -1.493 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185959746 790416397 /nfs/dbraw/zinc/41/63/97/790416397.db2.gz PIMFFXKBKOXIKG-LLVKDONJSA-N 1 0 349.457 -1.949 20 0 EAADRO CCCN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001185959766 790415583 /nfs/dbraw/zinc/41/55/83/790415583.db2.gz QFGWSOZMGIXSRN-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CCCN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001185959767 790416759 /nfs/dbraw/zinc/41/67/59/790416759.db2.gz QFGWSOZMGIXSRN-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001185959776 790415531 /nfs/dbraw/zinc/41/55/31/790415531.db2.gz QUEUCHNFWAWNBK-LLVKDONJSA-N 1 0 347.441 -2.195 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001185960572 790415721 /nfs/dbraw/zinc/41/57/21/790415721.db2.gz ZOADYGNCFFTZHF-GFCCVEGCSA-N 1 0 344.441 -1.493 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001185976460 790416778 /nfs/dbraw/zinc/41/67/78/790416778.db2.gz AEKPHYBJKUVHSN-GHMZBOCLSA-N 1 0 347.441 -2.196 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001185976461 790416191 /nfs/dbraw/zinc/41/61/91/790416191.db2.gz AEKPHYBJKUVHSN-MNOVXSKESA-N 1 0 347.441 -2.196 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976476 790416567 /nfs/dbraw/zinc/41/65/67/790416567.db2.gz ATWWLNHPSCYRAX-LLVKDONJSA-N 1 0 349.457 -1.903 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1)C(N)=O ZINC001185976481 790415574 /nfs/dbraw/zinc/41/55/74/790415574.db2.gz BEMHFEAUCGKADM-NXEZZACHSA-N 1 0 335.430 -2.163 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1)C(N)=O ZINC001185976482 790416631 /nfs/dbraw/zinc/41/66/31/790416631.db2.gz BEMHFEAUCGKADM-ZJUUUORDSA-N 1 0 335.430 -2.163 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976486 790415702 /nfs/dbraw/zinc/41/57/02/790415702.db2.gz BLRNBHOSQDDYKE-SNVBAGLBSA-N 1 0 335.430 -2.339 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001185976519 790415786 /nfs/dbraw/zinc/41/57/86/790415786.db2.gz BYRXRQWXOPTPBB-NXEZZACHSA-N 1 0 333.414 -2.539 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001185976534 790416174 /nfs/dbraw/zinc/41/61/74/790416174.db2.gz BYRXRQWXOPTPBB-ZJUUUORDSA-N 1 0 333.414 -2.539 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976541 790416021 /nfs/dbraw/zinc/41/60/21/790416021.db2.gz CBVMBWXKMUEGTI-NXEZZACHSA-N 1 0 335.430 -2.293 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976545 790415490 /nfs/dbraw/zinc/41/54/90/790415490.db2.gz CBVMBWXKMUEGTI-VHSXEESVSA-N 1 0 335.430 -2.293 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976550 790416788 /nfs/dbraw/zinc/41/67/88/790416788.db2.gz CJAWFWNSHUAMKW-LLVKDONJSA-N 1 0 349.457 -1.901 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976586 790416342 /nfs/dbraw/zinc/41/63/42/790416342.db2.gz CYJVHUQIWOVNSC-NWDGAFQWSA-N 1 0 336.458 -1.266 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976595 790416332 /nfs/dbraw/zinc/41/63/32/790416332.db2.gz CYJVHUQIWOVNSC-VXGBXAGGSA-N 1 0 336.458 -1.266 20 0 EAADRO CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185976668 790415735 /nfs/dbraw/zinc/41/57/35/790415735.db2.gz DVLCQPAYNLTYNI-GFCCVEGCSA-N 1 0 336.458 -1.002 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001185976681 790415619 /nfs/dbraw/zinc/41/56/19/790415619.db2.gz FDZSDZUTOKQDOG-NWDGAFQWSA-N 1 0 334.442 -1.391 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001185976682 790415592 /nfs/dbraw/zinc/41/55/92/790415592.db2.gz FDZSDZUTOKQDOG-VXGBXAGGSA-N 1 0 334.442 -1.391 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001185976683 790416769 /nfs/dbraw/zinc/41/67/69/790416769.db2.gz FGSKEMFQQTZWHE-CYBMUJFWSA-N 1 0 348.469 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001185976843 790416369 /nfs/dbraw/zinc/41/63/69/790416369.db2.gz GUSVFPURVMXLQW-LLVKDONJSA-N 1 0 345.429 -2.135 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001185976989 790415964 /nfs/dbraw/zinc/41/59/64/790415964.db2.gz JEHXLPCOORAOJI-CHWSQXEVSA-N 1 0 348.469 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001185976990 790416483 /nfs/dbraw/zinc/41/64/83/790416483.db2.gz JEHXLPCOORAOJI-QWHCGFSZSA-N 1 0 348.469 -1.001 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977155 790415953 /nfs/dbraw/zinc/41/59/53/790415953.db2.gz NDBFJUZRAXJQDG-GHMZBOCLSA-N 1 0 338.430 -2.420 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977160 790416246 /nfs/dbraw/zinc/41/62/46/790416246.db2.gz NDBFJUZRAXJQDG-MNOVXSKESA-N 1 0 338.430 -2.420 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001185977431 790418313 /nfs/dbraw/zinc/41/83/13/790418313.db2.gz QDLNCAZWDGSMHB-CYBMUJFWSA-N 1 0 348.469 -1.001 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1)C(=O)N(C)C ZINC001185977444 790418725 /nfs/dbraw/zinc/41/87/25/790418725.db2.gz QIPMHYGBFYVKKW-GHMZBOCLSA-N 1 0 349.457 -1.950 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1)C(=O)N(C)C ZINC001185977449 790418456 /nfs/dbraw/zinc/41/84/56/790418456.db2.gz QIPMHYGBFYVKKW-WDEREUQCSA-N 1 0 349.457 -1.950 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1)OC ZINC001185977458 790418231 /nfs/dbraw/zinc/41/82/31/790418231.db2.gz QUJKGTIYYYFCAS-NEPJUHHUSA-N 1 0 336.458 -1.002 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1)OC ZINC001185977459 790418446 /nfs/dbraw/zinc/41/84/46/790418446.db2.gz QUJKGTIYYYFCAS-VXGBXAGGSA-N 1 0 336.458 -1.002 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001185977541 790418756 /nfs/dbraw/zinc/41/87/56/790418756.db2.gz STVLXWJVDOSYFV-CHWSQXEVSA-N 1 0 348.469 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001185977657 790417633 /nfs/dbraw/zinc/41/76/33/790417633.db2.gz STVLXWJVDOSYFV-QWHCGFSZSA-N 1 0 348.469 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001185977661 790417575 /nfs/dbraw/zinc/41/75/75/790417575.db2.gz SWISJOBUJOGIMN-GFCCVEGCSA-N 1 0 344.441 -1.530 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001185977690 790418057 /nfs/dbraw/zinc/41/80/57/790418057.db2.gz UFJBIHHHFPTEPE-LLVKDONJSA-N 1 0 347.441 -2.149 20 0 EAADRO COCCCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977712 790417235 /nfs/dbraw/zinc/41/72/35/790417235.db2.gz UTRXXSHGURIOJI-GFCCVEGCSA-N 1 0 336.458 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001185977785 790417250 /nfs/dbraw/zinc/41/72/50/790417250.db2.gz WEDPZHJHWXLMIR-GHMZBOCLSA-N 1 0 347.441 -2.149 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001185977786 790418376 /nfs/dbraw/zinc/41/83/76/790418376.db2.gz WEDPZHJHWXLMIR-MNOVXSKESA-N 1 0 347.441 -2.149 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977789 790418217 /nfs/dbraw/zinc/41/82/17/790418217.db2.gz WLHUFGPCTPOBHR-SNVBAGLBSA-N 1 0 335.430 -2.291 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185977827 790417971 /nfs/dbraw/zinc/41/79/71/790417971.db2.gz YPBPHPKNNMGEMV-LLVKDONJSA-N 1 0 338.430 -2.418 20 0 EAADRO CCOCCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977853 790417976 /nfs/dbraw/zinc/41/79/76/790417976.db2.gz ZPCASSMIFIEIDC-GFCCVEGCSA-N 1 0 336.458 -1.001 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001185984116 790414773 /nfs/dbraw/zinc/41/47/73/790414773.db2.gz KXHXAKDNMHNFPI-CMPLNLGQSA-N 1 0 349.399 -1.251 20 0 EAADRO C[C@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001185984118 790414078 /nfs/dbraw/zinc/41/40/78/790414078.db2.gz KXHXAKDNMHNFPI-JQWIXIFHSA-N 1 0 349.399 -1.251 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001185984120 790414419 /nfs/dbraw/zinc/41/44/19/790414419.db2.gz KXHXAKDNMHNFPI-PWSUYJOCSA-N 1 0 349.399 -1.251 20 0 EAADRO C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001185984122 790414296 /nfs/dbraw/zinc/41/42/96/790414296.db2.gz KXHXAKDNMHNFPI-ZYHUDNBSSA-N 1 0 349.399 -1.251 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001185985270 790414206 /nfs/dbraw/zinc/41/42/06/790414206.db2.gz YQZMSYUTTRIRGL-GFCCVEGCSA-N 1 0 349.399 -1.249 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)n1 ZINC001185985271 790413808 /nfs/dbraw/zinc/41/38/08/790413808.db2.gz YQZMSYUTTRIRGL-LBPRGKRZSA-N 1 0 349.399 -1.249 20 0 EAADRO Cc1ccn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c(=O)c1 ZINC001185985326 790413715 /nfs/dbraw/zinc/41/37/15/790413715.db2.gz AHLSZALROHGGIR-LLVKDONJSA-N 1 0 335.364 -1.458 20 0 EAADRO Cc1ccnn1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185985551 790413393 /nfs/dbraw/zinc/41/33/93/790413393.db2.gz MDBQTSDCOJAIBL-GFCCVEGCSA-N 1 0 329.426 -1.069 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(C)cc2=O)C1 ZINC001185985563 790413988 /nfs/dbraw/zinc/41/39/88/790413988.db2.gz MMIAXOSPXKLCLM-GFCCVEGCSA-N 1 0 349.391 -1.197 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001186000406 790417268 /nfs/dbraw/zinc/41/72/68/790417268.db2.gz NZBZDCMZEHRPRK-CYBMUJFWSA-N 1 0 337.428 -1.032 20 0 EAADRO C[NH+](C)CCC(=O)N1CCC[C@H](n2cc(CNCC(N)=O)nn2)C1 ZINC001186000407 790417820 /nfs/dbraw/zinc/41/78/20/790417820.db2.gz NZBZDCMZEHRPRK-ZDUSSCGKSA-N 1 0 337.428 -1.032 20 0 EAADRO Cc1ccn(CC(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)c(=O)c1 ZINC001186002112 790417941 /nfs/dbraw/zinc/41/79/41/790417941.db2.gz DPHNGQXKOTZUKP-NWDGAFQWSA-N 1 0 349.391 -1.069 20 0 EAADRO Cc1ccn(CC(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)c(=O)c1 ZINC001186002113 790418012 /nfs/dbraw/zinc/41/80/12/790418012.db2.gz DPHNGQXKOTZUKP-VXGBXAGGSA-N 1 0 349.391 -1.069 20 0 EAADRO COc1c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c(C)nn1C ZINC001186008754 790417662 /nfs/dbraw/zinc/41/76/62/790417662.db2.gz NFUPLEOWTASCGA-SECBINFHSA-N 1 0 338.368 -1.264 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)COC2CCOCC2)C1 ZINC001186010456 790417647 /nfs/dbraw/zinc/41/76/47/790417647.db2.gz BBGNGPUGNCSCQG-GFCCVEGCSA-N 1 0 349.453 -1.078 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CCOCC2)C1 ZINC001186010877 790417860 /nfs/dbraw/zinc/41/78/60/790417860.db2.gz MTFGTYNYSXQJKN-SNVBAGLBSA-N 1 0 328.369 -1.433 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CCOCC2)C1 ZINC001186011215 790418185 /nfs/dbraw/zinc/41/81/85/790418185.db2.gz XILMCWMMVKXCGN-LLVKDONJSA-N 1 0 342.396 -1.172 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001186017902 790418404 /nfs/dbraw/zinc/41/84/04/790418404.db2.gz CJOMQZDXGSPZSQ-NXEZZACHSA-N 1 0 346.409 -1.803 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001186017908 790417357 /nfs/dbraw/zinc/41/73/57/790417357.db2.gz CJOMQZDXGSPZSQ-VHSXEESVSA-N 1 0 346.409 -1.803 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001186017914 790418575 /nfs/dbraw/zinc/41/85/75/790418575.db2.gz COSLDMVAJSOECC-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001186017938 790418203 /nfs/dbraw/zinc/41/82/03/790418203.db2.gz DDXUIOSUACCSJM-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186018223 790417675 /nfs/dbraw/zinc/41/76/75/790417675.db2.gz DMBTZEFNJJYULN-GHMZBOCLSA-N 1 0 334.442 -1.278 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186018224 790418432 /nfs/dbraw/zinc/41/84/32/790418432.db2.gz DMBTZEFNJJYULN-WDEREUQCSA-N 1 0 334.442 -1.278 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186018742 790417956 /nfs/dbraw/zinc/41/79/56/790417956.db2.gz IWNJUOQHBGQQOZ-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186018745 790418003 /nfs/dbraw/zinc/41/80/03/790418003.db2.gz IWNJUOQHBGQQOZ-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186019768 790417927 /nfs/dbraw/zinc/41/79/27/790417927.db2.gz SSRDKJKIJFTLKJ-GFCCVEGCSA-N 1 0 348.469 -1.063 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001186020024 790418239 /nfs/dbraw/zinc/41/82/39/790418239.db2.gz XBRBMGLMFDZOGC-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001186020025 790418171 /nfs/dbraw/zinc/41/81/71/790418171.db2.gz XBRBMGLMFDZOGC-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001186029218 790417700 /nfs/dbraw/zinc/41/77/00/790417700.db2.gz GDTSFQULQIQAHV-GXTWGEPZSA-N 1 0 349.439 -1.032 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001186029219 790418121 /nfs/dbraw/zinc/41/81/21/790418121.db2.gz GDTSFQULQIQAHV-JSGCOSHPSA-N 1 0 349.439 -1.032 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001186029220 790418106 /nfs/dbraw/zinc/41/81/06/790418106.db2.gz GDTSFQULQIQAHV-OCCSQVGLSA-N 1 0 349.439 -1.032 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001186029221 790417739 /nfs/dbraw/zinc/41/77/39/790417739.db2.gz GDTSFQULQIQAHV-TZMCWYRMSA-N 1 0 349.439 -1.032 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)c(=O)n(C)c1=O ZINC001186031310 790418042 /nfs/dbraw/zinc/41/80/42/790418042.db2.gz IVMQZPBEQPQPFA-LLVKDONJSA-N 1 0 340.380 -2.103 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001186031320 790418542 /nfs/dbraw/zinc/41/85/42/790418542.db2.gz JHYJTVOLHUUXMO-SNVBAGLBSA-N 1 0 346.409 -1.803 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001186031335 790417808 /nfs/dbraw/zinc/41/78/08/790417808.db2.gz JVYDQUUWXZMLLA-GHMZBOCLSA-N 1 0 347.379 -1.784 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001186031336 790417983 /nfs/dbraw/zinc/41/79/83/790417983.db2.gz JVYDQUUWXZMLLA-WDEREUQCSA-N 1 0 347.379 -1.784 20 0 EAADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001186031382 790418344 /nfs/dbraw/zinc/41/83/44/790418344.db2.gz KVBALKMMTZNXLB-MRVPVSSYSA-N 1 0 334.398 -1.805 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001186031787 790417887 /nfs/dbraw/zinc/41/78/87/790417887.db2.gz LPOLOUPWXSZVIB-SNVBAGLBSA-N 1 0 333.352 -2.173 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001186032110 790417783 /nfs/dbraw/zinc/41/77/83/790417783.db2.gz OXHYFFGTKQXWGQ-LLVKDONJSA-N 1 0 347.379 -1.782 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186032450 790418497 /nfs/dbraw/zinc/41/84/97/790418497.db2.gz SPZWKKLCZCQCGX-SNVBAGLBSA-N 1 0 337.380 -2.024 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001186032459 790417491 /nfs/dbraw/zinc/41/74/91/790417491.db2.gz TUMIAWXYHIHIMM-LLVKDONJSA-N 1 0 347.379 -1.830 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)c(=O)n(C)c1=O ZINC001186032471 790420820 /nfs/dbraw/zinc/42/08/20/790420820.db2.gz UDXDCSISQGMUEV-LLVKDONJSA-N 1 0 349.391 -1.833 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001186032932 790420155 /nfs/dbraw/zinc/42/01/55/790420155.db2.gz XEMNPVKUGWIISM-SECBINFHSA-N 1 0 348.425 -1.544 20 0 EAADRO Cn1cc(N2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](O)C4)C[C@@H]3C2=O)cn1 ZINC001186037093 790421040 /nfs/dbraw/zinc/42/10/40/790421040.db2.gz DYEDIYAZVMSLTM-UBHSHLNASA-N 1 0 333.392 -1.092 20 0 EAADRO Cn1cc(N2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](O)C4)C[C@@H]3C2=O)cn1 ZINC001186037097 790421011 /nfs/dbraw/zinc/42/10/11/790421011.db2.gz DYEDIYAZVMSLTM-YUTCNCBUSA-N 1 0 333.392 -1.092 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186039991 790420379 /nfs/dbraw/zinc/42/03/79/790420379.db2.gz AFOKDRCKVMJEMU-NXEZZACHSA-N 1 0 337.380 -1.977 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186039994 790420022 /nfs/dbraw/zinc/42/00/22/790420022.db2.gz AFOKDRCKVMJEMU-VHSXEESVSA-N 1 0 337.380 -1.977 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186040811 790420307 /nfs/dbraw/zinc/42/03/07/790420307.db2.gz HTBAZQCVUKIOMP-GHMZBOCLSA-N 1 0 340.380 -2.105 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186040816 790420795 /nfs/dbraw/zinc/42/07/95/790420795.db2.gz HTBAZQCVUKIOMP-MNOVXSKESA-N 1 0 340.380 -2.105 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186041165 790420587 /nfs/dbraw/zinc/42/05/87/790420587.db2.gz LNMNVPPWDXEKLD-SNVBAGLBSA-N 1 0 337.380 -1.976 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COC2CCOCC2)C1)C(=O)NC(N)=O ZINC001186041166 790419604 /nfs/dbraw/zinc/41/96/04/790419604.db2.gz LOFUYCGRBCBKDZ-GHMZBOCLSA-N 1 0 342.396 -1.044 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)COC2CCOCC2)C1)C(=O)NC(N)=O ZINC001186041170 790420538 /nfs/dbraw/zinc/42/05/38/790420538.db2.gz LOFUYCGRBCBKDZ-WDEREUQCSA-N 1 0 342.396 -1.044 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 ZINC001186041539 790419468 /nfs/dbraw/zinc/41/94/68/790419468.db2.gz QBUGIEPOLVMDMM-NWDGAFQWSA-N 1 0 342.396 -1.314 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186041540 790420172 /nfs/dbraw/zinc/42/01/72/790420172.db2.gz QBUGIEPOLVMDMM-VXGBXAGGSA-N 1 0 342.396 -1.314 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186042462 790419877 /nfs/dbraw/zinc/41/98/77/790419877.db2.gz ZNCYWQIWRCDCIK-GHMZBOCLSA-N 1 0 328.369 -1.575 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 ZINC001186042463 790420877 /nfs/dbraw/zinc/42/08/77/790420877.db2.gz ZNCYWQIWRCDCIK-WDEREUQCSA-N 1 0 328.369 -1.575 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@@H]2C[C@@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186042489 790419588 /nfs/dbraw/zinc/41/95/88/790419588.db2.gz OGZIVZRNKZPFNT-KBPBESRZSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@@H]2C[C@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186042492 790420865 /nfs/dbraw/zinc/42/08/65/790420865.db2.gz OGZIVZRNKZPFNT-KGLIPLIRSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@H]2C[C@@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186042494 790420642 /nfs/dbraw/zinc/42/06/42/790420642.db2.gz OGZIVZRNKZPFNT-UONOGXRCSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@H]2C[C@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186042496 790421103 /nfs/dbraw/zinc/42/11/03/790421103.db2.gz OGZIVZRNKZPFNT-ZIAGYGMSSA-N 1 0 340.424 -1.016 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186045542 790420397 /nfs/dbraw/zinc/42/03/97/790420397.db2.gz VAMAHLQRRVTRPQ-CYBMUJFWSA-N 1 0 333.454 -1.368 20 0 EAADRO CS(=O)(=O)CCCN1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186045543 790420930 /nfs/dbraw/zinc/42/09/30/790420930.db2.gz VAMAHLQRRVTRPQ-ZDUSSCGKSA-N 1 0 333.454 -1.368 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186047881 790419357 /nfs/dbraw/zinc/41/93/57/790419357.db2.gz ADJPPKPKCIQGSG-NXEZZACHSA-N 1 0 326.353 -1.368 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186047940 790419871 /nfs/dbraw/zinc/41/98/71/790419871.db2.gz ADJPPKPKCIQGSG-VHSXEESVSA-N 1 0 326.353 -1.368 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186048142 790419515 /nfs/dbraw/zinc/41/95/15/790419515.db2.gz CXXDFBIXHGIMAY-CHWSQXEVSA-N 1 0 349.453 -1.221 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 ZINC001186048143 790420292 /nfs/dbraw/zinc/42/02/92/790420292.db2.gz CXXDFBIXHGIMAY-QWHCGFSZSA-N 1 0 349.453 -1.221 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186048147 790420469 /nfs/dbraw/zinc/42/04/69/790420469.db2.gz DAEREVPOUUDYIA-GHMZBOCLSA-N 1 0 340.380 -1.242 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186048149 790420760 /nfs/dbraw/zinc/42/07/60/790420760.db2.gz DAEREVPOUUDYIA-WDEREUQCSA-N 1 0 340.380 -1.242 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186048950 790420248 /nfs/dbraw/zinc/42/02/48/790420248.db2.gz KBJQBYLSCLNAOJ-SECBINFHSA-N 1 0 339.352 -2.266 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1=O ZINC001186048992 790420433 /nfs/dbraw/zinc/42/04/33/790420433.db2.gz 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COCCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186049697 790421112 /nfs/dbraw/zinc/42/11/12/790421112.db2.gz RHTNLBVJZSETML-SNVBAGLBSA-N 1 0 326.353 -1.366 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186049702 790419977 /nfs/dbraw/zinc/41/99/77/790419977.db2.gz RZLXSYJYPGPVSH-NXEZZACHSA-N 1 0 326.353 -1.368 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186049703 790419687 /nfs/dbraw/zinc/41/96/87/790419687.db2.gz RZLXSYJYPGPVSH-VHSXEESVSA-N 1 0 326.353 -1.368 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001186049766 790419804 /nfs/dbraw/zinc/41/98/04/790419804.db2.gz URTMGPQPPKAMPM-DTWKUNHWSA-N 1 0 348.425 -1.417 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001186049772 790420362 /nfs/dbraw/zinc/42/03/62/790420362.db2.gz URTMGPQPPKAMPM-RKDXNWHRSA-N 1 0 348.425 -1.417 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186049787 790420274 /nfs/dbraw/zinc/42/02/74/790420274.db2.gz UZMPRNFXENYKAD-DTWKUNHWSA-N 1 0 339.352 -2.268 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186049793 790419825 /nfs/dbraw/zinc/41/98/25/790419825.db2.gz UZMPRNFXENYKAD-RKDXNWHRSA-N 1 0 339.352 -2.268 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001186053240 790420317 /nfs/dbraw/zinc/42/03/17/790420317.db2.gz UMEDMJQOSZVRHB-NEPJUHHUSA-N 1 0 341.412 -1.484 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001186053241 790420060 /nfs/dbraw/zinc/42/00/60/790420060.db2.gz UMEDMJQOSZVRHB-NWDGAFQWSA-N 1 0 341.412 -1.484 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001186053242 790420285 /nfs/dbraw/zinc/42/02/85/790420285.db2.gz UMEDMJQOSZVRHB-RYUDHWBXSA-N 1 0 341.412 -1.484 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001186053243 790419967 /nfs/dbraw/zinc/41/99/67/790419967.db2.gz UMEDMJQOSZVRHB-VXGBXAGGSA-N 1 0 341.412 -1.484 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OCCOC)C1 ZINC001186058864 790422763 /nfs/dbraw/zinc/42/27/63/790422763.db2.gz DAEUUJAZTVHBNG-GHMZBOCLSA-N 1 0 330.385 -1.316 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)OCCOC)C1 ZINC001186058865 790422485 /nfs/dbraw/zinc/42/24/85/790422485.db2.gz DAEUUJAZTVHBNG-WDEREUQCSA-N 1 0 330.385 -1.316 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186059271 790422513 /nfs/dbraw/zinc/42/25/13/790422513.db2.gz IGKQVVZHMYQWDM-NWDGAFQWSA-N 1 0 342.396 -1.220 20 0 EAADRO COCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186059273 790421578 /nfs/dbraw/zinc/42/15/78/790421578.db2.gz IGKQVVZHMYQWDM-VXGBXAGGSA-N 1 0 342.396 -1.220 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001186059399 790422071 /nfs/dbraw/zinc/42/20/71/790422071.db2.gz LEYZRMKBKUOZCF-NWDGAFQWSA-N 1 0 337.442 -1.222 20 0 EAADRO COCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001186059400 790422250 /nfs/dbraw/zinc/42/22/50/790422250.db2.gz LEYZRMKBKUOZCF-VXGBXAGGSA-N 1 0 337.442 -1.222 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001186065045 790422277 /nfs/dbraw/zinc/42/22/77/790422277.db2.gz RQXKQAMRRSURPB-CHWSQXEVSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001186065047 790422353 /nfs/dbraw/zinc/42/23/53/790422353.db2.gz RQXKQAMRRSURPB-OLZOCXBDSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001186065048 790421918 /nfs/dbraw/zinc/42/19/18/790421918.db2.gz RQXKQAMRRSURPB-QWHCGFSZSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001186065049 790421657 /nfs/dbraw/zinc/42/16/57/790421657.db2.gz RQXKQAMRRSURPB-STQMWFEESA-N 1 0 340.424 -1.016 20 0 EAADRO NC(=O)COc1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc1 ZINC001186071677 790420978 /nfs/dbraw/zinc/42/09/78/790420978.db2.gz KTZJLOCSKHGSQN-UHFFFAOYSA-N 1 0 340.340 -1.171 20 0 EAADRO CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186075278 790420914 /nfs/dbraw/zinc/42/09/14/790420914.db2.gz QYVZWQYMNKEAHR-SECBINFHSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@H]2C[C@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186075960 790421156 /nfs/dbraw/zinc/42/11/56/790421156.db2.gz USOWPSRVWUUXTJ-CHWSQXEVSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@@H]2C[C@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186075961 790420783 /nfs/dbraw/zinc/42/07/83/790420783.db2.gz USOWPSRVWUUXTJ-OLZOCXBDSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@H]2C[C@@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186075962 790419633 /nfs/dbraw/zinc/41/96/33/790419633.db2.gz USOWPSRVWUUXTJ-QWHCGFSZSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@@H]2C[C@@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186075963 790419390 /nfs/dbraw/zinc/41/93/90/790419390.db2.gz USOWPSRVWUUXTJ-STQMWFEESA-N 1 0 340.424 -1.016 20 0 EAADRO NC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH2+]CCOCCO)CCO2)CC1 ZINC001186084257 790422844 /nfs/dbraw/zinc/42/28/44/790422844.db2.gz GCRPGVUECRHZEX-KBPBESRZSA-N 1 0 343.424 -1.144 20 0 EAADRO NC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH2+]CCOCCO)CCO2)CC1 ZINC001186084258 790422503 /nfs/dbraw/zinc/42/25/03/790422503.db2.gz GCRPGVUECRHZEX-KGLIPLIRSA-N 1 0 343.424 -1.144 20 0 EAADRO NC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH2+]CCOCCO)CCO2)CC1 ZINC001186084259 790422093 /nfs/dbraw/zinc/42/20/93/790422093.db2.gz GCRPGVUECRHZEX-UONOGXRCSA-N 1 0 343.424 -1.144 20 0 EAADRO NC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH2+]CCOCCO)CCO2)CC1 ZINC001186084260 790422698 /nfs/dbraw/zinc/42/26/98/790422698.db2.gz GCRPGVUECRHZEX-ZIAGYGMSSA-N 1 0 343.424 -1.144 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186085040 790422645 /nfs/dbraw/zinc/42/26/45/790422645.db2.gz KJRXDTCNRYJIAR-CHWSQXEVSA-N 1 0 340.424 -1.064 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186085046 790422122 /nfs/dbraw/zinc/42/21/22/790422122.db2.gz KJRXDTCNRYJIAR-OLZOCXBDSA-N 1 0 340.424 -1.064 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186085047 790422104 /nfs/dbraw/zinc/42/21/04/790422104.db2.gz KJRXDTCNRYJIAR-QWHCGFSZSA-N 1 0 340.424 -1.064 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186085049 790422182 /nfs/dbraw/zinc/42/21/82/790422182.db2.gz KJRXDTCNRYJIAR-STQMWFEESA-N 1 0 340.424 -1.064 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086098 790422149 /nfs/dbraw/zinc/42/21/49/790422149.db2.gz PWYMZFOHIDRJGZ-NEPJUHHUSA-N 1 0 326.397 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086100 790422620 /nfs/dbraw/zinc/42/26/20/790422620.db2.gz PWYMZFOHIDRJGZ-NWDGAFQWSA-N 1 0 326.397 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086101 790422140 /nfs/dbraw/zinc/42/21/40/790422140.db2.gz PWYMZFOHIDRJGZ-RYUDHWBXSA-N 1 0 326.397 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086104 790421858 /nfs/dbraw/zinc/42/18/58/790421858.db2.gz PWYMZFOHIDRJGZ-VXGBXAGGSA-N 1 0 326.397 -1.407 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086182 790422359 /nfs/dbraw/zinc/42/23/59/790422359.db2.gz QIFBGJJNYVWXHW-CHWSQXEVSA-N 1 0 340.424 -1.016 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086184 790421999 /nfs/dbraw/zinc/42/19/99/790421999.db2.gz QIFBGJJNYVWXHW-OLZOCXBDSA-N 1 0 340.424 -1.016 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086186 790422807 /nfs/dbraw/zinc/42/28/07/790422807.db2.gz QIFBGJJNYVWXHW-QWHCGFSZSA-N 1 0 340.424 -1.016 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001186086188 790422462 /nfs/dbraw/zinc/42/24/62/790422462.db2.gz QIFBGJJNYVWXHW-STQMWFEESA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncc(OC)n2)C1 ZINC001186095871 790422443 /nfs/dbraw/zinc/42/24/43/790422443.db2.gz BJVJSSAGVCFBFF-SECBINFHSA-N 1 0 336.352 -1.255 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)NCCC(=O)N2CCOCC2)C1 ZINC001186098939 790422685 /nfs/dbraw/zinc/42/26/85/790422685.db2.gz HTGRXQVQKKTTDQ-LBPRGKRZSA-N 1 0 327.381 -1.154 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(CC2)COCC(=O)N3)C1 ZINC001186101117 790422301 /nfs/dbraw/zinc/42/23/01/790422301.db2.gz QJUMLBUOCKLXCY-LBPRGKRZSA-N 1 0 339.392 -1.011 20 0 EAADRO COC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC001186105958 790422468 /nfs/dbraw/zinc/42/24/68/790422468.db2.gz IXAIIEPJYJZOMQ-LBPRGKRZSA-N 1 0 327.381 -1.202 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(CC2)CNC(=O)CO3)C1 ZINC001186106540 790422565 /nfs/dbraw/zinc/42/25/65/790422565.db2.gz DKWCSCMWVFFRGQ-LBPRGKRZSA-N 1 0 339.392 -1.011 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]CC(N)=O)CC1 ZINC001186106766 790422498 /nfs/dbraw/zinc/42/24/98/790422498.db2.gz VBHYOKLGVOBBPX-BBRMVZONSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001186106767 790422349 /nfs/dbraw/zinc/42/23/49/790422349.db2.gz VBHYOKLGVOBBPX-CJNGLKHVSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001186106768 790422292 /nfs/dbraw/zinc/42/22/92/790422292.db2.gz VBHYOKLGVOBBPX-CZUORRHYSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)NCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]CC(N)=O)CC1 ZINC001186106769 790421903 /nfs/dbraw/zinc/42/19/03/790421903.db2.gz VBHYOKLGVOBBPX-XJKSGUPXSA-N 1 0 340.424 -1.016 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C)[C@@H](C(=O)OC)C2)C1 ZINC001186106902 790422328 /nfs/dbraw/zinc/42/23/28/790422328.db2.gz JRBLOUIJBBDNAV-NWDGAFQWSA-N 1 0 327.381 -1.203 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C)[C@H](C(=O)OC)C2)C1 ZINC001186106903 790422830 /nfs/dbraw/zinc/42/28/30/790422830.db2.gz JRBLOUIJBBDNAV-RYUDHWBXSA-N 1 0 327.381 -1.203 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN3C(=O)COC[C@H]3C2)C1 ZINC001186106966 790422609 /nfs/dbraw/zinc/42/26/09/790422609.db2.gz KZWALWWHVNWHSX-NWDGAFQWSA-N 1 0 325.365 -1.449 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001186106970 790422520 /nfs/dbraw/zinc/42/25/20/790422520.db2.gz KZWALWWHVNWHSX-RYUDHWBXSA-N 1 0 325.365 -1.449 20 0 EAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC(N3CCN(C)C(=O)C3)C2)C1 ZINC001186107547 790421941 /nfs/dbraw/zinc/42/19/41/790421941.db2.gz WHDXSBGXBJFMOM-LBPRGKRZSA-N 1 0 338.408 -1.534 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001186115195 790422115 /nfs/dbraw/zinc/42/21/15/790422115.db2.gz WEHBNYSNXMVOGG-BXUZGUMPSA-N 1 0 341.412 -1.484 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001186115196 790422514 /nfs/dbraw/zinc/42/25/14/790422514.db2.gz WEHBNYSNXMVOGG-FZMZJTMJSA-N 1 0 341.412 -1.484 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001186115197 790422554 /nfs/dbraw/zinc/42/25/54/790422554.db2.gz WEHBNYSNXMVOGG-RISCZKNCSA-N 1 0 341.412 -1.484 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001186115198 790422218 /nfs/dbraw/zinc/42/22/18/790422218.db2.gz WEHBNYSNXMVOGG-SMDDNHRTSA-N 1 0 341.412 -1.484 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001186115203 790421931 /nfs/dbraw/zinc/42/19/31/790421931.db2.gz WEZBJPJPOYBESD-BLLLJJGKSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001186115204 790422190 /nfs/dbraw/zinc/42/21/90/790422190.db2.gz WEZBJPJPOYBESD-LRDDRELGSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001186115205 790422209 /nfs/dbraw/zinc/42/22/09/790422209.db2.gz WEZBJPJPOYBESD-MLGOLLRUSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001186115206 790421712 /nfs/dbraw/zinc/42/17/12/790421712.db2.gz WEZBJPJPOYBESD-WBMJQRKESA-N 1 0 340.424 -1.016 20 0 EAADRO COC(=O)[C@H]1CCN(CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186116567 790421831 /nfs/dbraw/zinc/42/18/31/790421831.db2.gz HRISFCJZCJPJBC-JTQLQIEISA-N 1 0 332.361 -1.854 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1)C(N)=O ZINC001186117836 790422283 /nfs/dbraw/zinc/42/22/83/790422283.db2.gz AGDHRRVWSQRHIW-OLZOCXBDSA-N 1 0 336.396 -1.546 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)C1)C(N)=O ZINC001186117864 790422424 /nfs/dbraw/zinc/42/24/24/790422424.db2.gz ASECQEVCUABYKD-YPMHNXCESA-N 1 0 336.396 -1.509 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nccnc2C)C1)C(N)=O ZINC001186117886 790422533 /nfs/dbraw/zinc/42/25/33/790422533.db2.gz AVRJGVLMPKXWRR-OLZOCXBDSA-N 1 0 348.407 -1.144 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1)C(N)=O ZINC001186117939 790422689 /nfs/dbraw/zinc/42/26/89/790422689.db2.gz BCKDLKDIRZQAQF-NEPJUHHUSA-N 1 0 341.412 -1.918 20 0 EAADRO COc1cncc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001186117942 790422719 /nfs/dbraw/zinc/42/27/19/790422719.db2.gz BGEFHKOWYVIFPE-SNVBAGLBSA-N 1 0 343.409 -1.162 20 0 EAADRO CCOCCC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186117978 790422826 /nfs/dbraw/zinc/42/28/26/790422826.db2.gz BPRAGRWGXBUANJ-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1)C(N)=O ZINC001186118011 790422714 /nfs/dbraw/zinc/42/27/14/790422714.db2.gz BWAFXBFGTDUTAW-KGLIPLIRSA-N 1 0 340.424 -1.016 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186118017 790421875 /nfs/dbraw/zinc/42/18/75/790421875.db2.gz CAHSPRKYWSWQJI-UTUOFQBUSA-N 1 0 330.385 -2.436 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186118021 790422176 /nfs/dbraw/zinc/42/21/76/790422176.db2.gz CAHSPRKYWSWQJI-WOPDTQHZSA-N 1 0 330.385 -2.436 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186118476 790422157 /nfs/dbraw/zinc/42/21/57/790422157.db2.gz FVZWTATVVPEYNK-NEPJUHHUSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)C(N)=O ZINC001186118482 790422680 /nfs/dbraw/zinc/42/26/80/790422680.db2.gz GDKQFASYWRZQOR-NEPJUHHUSA-N 1 0 339.396 -2.211 20 0 EAADRO COCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186118489 790422640 /nfs/dbraw/zinc/42/26/40/790422640.db2.gz GJIQASVEEMTFAR-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)C(N)=O ZINC001186118514 790422131 /nfs/dbraw/zinc/42/21/31/790422131.db2.gz HMIVGABQNLMYAA-NEPJUHHUSA-N 1 0 337.384 -2.151 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1)C(N)=O ZINC001186118543 790422703 /nfs/dbraw/zinc/42/27/03/790422703.db2.gz ICDMFBLLBZDEDJ-UPJWGTAASA-N 1 0 326.397 -1.407 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1)C(N)=O ZINC001186118545 790422648 /nfs/dbraw/zinc/42/26/48/790422648.db2.gz ICDMFBLLBZDEDJ-XQQFMLRXSA-N 1 0 326.397 -1.407 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)C1)C(N)=O ZINC001186118556 790422043 /nfs/dbraw/zinc/42/20/43/790422043.db2.gz IJPPJJKNYODRGO-OLZOCXBDSA-N 1 0 328.413 -1.018 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C(N)=O ZINC001186118560 790422558 /nfs/dbraw/zinc/42/25/58/790422558.db2.gz IMLIKXWNHCMSGU-BDAKNGLRSA-N 1 0 342.356 -3.248 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1)C(N)=O ZINC001186118577 790421690 /nfs/dbraw/zinc/42/16/90/790421690.db2.gz JBSUNRFOPCOGIC-OLZOCXBDSA-N 1 0 336.396 -1.509 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)C(N)=O ZINC001186118599 790422413 /nfs/dbraw/zinc/42/24/13/790422413.db2.gz JLFCHVNFHRAUCP-NEPJUHHUSA-N 1 0 339.396 -2.164 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C(N)=O ZINC001186118943 790422296 /nfs/dbraw/zinc/42/22/96/790422296.db2.gz KMPLCUPMBQQMQH-NEPJUHHUSA-N 1 0 330.385 -2.434 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)C1)C(N)=O ZINC001186118956 790422196 /nfs/dbraw/zinc/42/21/96/790422196.db2.gz KSCRHAFZYJXDIS-YPMHNXCESA-N 1 0 336.396 -1.509 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1)OC ZINC001186118976 790422854 /nfs/dbraw/zinc/42/28/54/790422854.db2.gz LFRWPPNZXMIXHZ-AGIUHOORSA-N 1 0 328.413 -1.018 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1)OC ZINC001186118978 790422245 /nfs/dbraw/zinc/42/22/45/790422245.db2.gz LFRWPPNZXMIXHZ-UPJWGTAASA-N 1 0 328.413 -1.018 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C(N)=O ZINC001186119021 790423515 /nfs/dbraw/zinc/42/35/15/790423515.db2.gz LMDLJDWEXLRGJN-MXWKQRLJSA-N 1 0 325.369 -2.555 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C(N)=O ZINC001186119027 790423409 /nfs/dbraw/zinc/42/34/09/790423409.db2.gz LMDLJDWEXLRGJN-VWYCJHECSA-N 1 0 325.369 -2.555 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ncn2)C1)C(N)=O ZINC001186119107 790424623 /nfs/dbraw/zinc/42/46/23/790424623.db2.gz NAWPSBYSWBDCAV-OCCSQVGLSA-N 1 0 348.407 -1.144 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)C(N)=O ZINC001186119112 790424458 /nfs/dbraw/zinc/42/44/58/790424458.db2.gz NFEYQXZCTSTIEZ-MNOVXSKESA-N 1 0 348.425 -2.398 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1)C(N)=O ZINC001186119121 790424473 /nfs/dbraw/zinc/42/44/73/790424473.db2.gz NNGZYGPEOZFEAS-OLZOCXBDSA-N 1 0 336.396 -1.509 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1)C(N)=O ZINC001186119226 790425086 /nfs/dbraw/zinc/42/50/86/790425086.db2.gz OGLMJRFTDDIQIW-MCIONIFRSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1)C(N)=O ZINC001186119227 790424964 /nfs/dbraw/zinc/42/49/64/790424964.db2.gz OGLMJRFTDDIQIW-MJBXVCDLSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1)C(N)=O ZINC001186119230 790424860 /nfs/dbraw/zinc/42/48/60/790424860.db2.gz OHUVGIQQZIAMSL-PWSUYJOCSA-N 1 0 337.384 -2.114 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C(N)=O ZINC001186119239 790424557 /nfs/dbraw/zinc/42/45/57/790424557.db2.gz OKRZOWKSCDCIKK-UTUOFQBUSA-N 1 0 339.396 -2.212 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)C(N)=O ZINC001186119240 790424086 /nfs/dbraw/zinc/42/40/86/790424086.db2.gz OKRZOWKSCDCIKK-WOPDTQHZSA-N 1 0 339.396 -2.212 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119348 790423870 /nfs/dbraw/zinc/42/38/70/790423870.db2.gz PSJWSOPAATVIOC-NEPJUHHUSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C)cn2)C1)C(N)=O ZINC001186119431 790423442 /nfs/dbraw/zinc/42/34/42/790423442.db2.gz QTGHHHPHJLBJPZ-OCCSQVGLSA-N 1 0 348.407 -1.144 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119438 790423680 /nfs/dbraw/zinc/42/36/80/790423680.db2.gz RBMSISUVRKXCGG-MNOVXSKESA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)C(N)=O ZINC001186119452 790424438 /nfs/dbraw/zinc/42/44/38/790424438.db2.gz RPJJONFPNJZPFG-UTUOFQBUSA-N 1 0 339.396 -2.164 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)C(N)=O ZINC001186119453 790423726 /nfs/dbraw/zinc/42/37/26/790423726.db2.gz RPJJONFPNJZPFG-WOPDTQHZSA-N 1 0 339.396 -2.164 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119555 790423572 /nfs/dbraw/zinc/42/35/72/790423572.db2.gz SAZXWLXCBLIIRQ-OLZOCXBDSA-N 1 0 344.412 -1.780 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)C(N)=O ZINC001186119585 790424233 /nfs/dbraw/zinc/42/42/33/790424233.db2.gz SWBQIGVUFKNXHD-JLLWLGSASA-N 1 0 341.412 -1.966 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)C(N)=O ZINC001186119590 790424180 /nfs/dbraw/zinc/42/41/80/790424180.db2.gz SWBQIGVUFKNXHD-WCQGTBRESA-N 1 0 341.412 -1.966 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1)C(N)=O ZINC001186119639 790424506 /nfs/dbraw/zinc/42/45/06/790424506.db2.gz VDQUQYRTGKYUQN-MCIONIFRSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1)C(N)=O ZINC001186119641 790425105 /nfs/dbraw/zinc/42/51/05/790425105.db2.gz VDQUQYRTGKYUQN-MJBXVCDLSA-N 1 0 340.424 -1.016 20 0 EAADRO COc1cncc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)n1 ZINC001186119881 790423755 /nfs/dbraw/zinc/42/37/55/790423755.db2.gz YBMONKAQCCRUBG-DTWKUNHWSA-N 1 0 336.352 -1.127 20 0 EAADRO COc1cncc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001186119882 790424674 /nfs/dbraw/zinc/42/46/74/790424674.db2.gz YBMONKAQCCRUBG-RKDXNWHRSA-N 1 0 336.352 -1.127 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCOCC2CC2)C1)C(N)=O ZINC001186119884 790424316 /nfs/dbraw/zinc/42/43/16/790424316.db2.gz YEUMNVSXMXKBRF-KGLIPLIRSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119885 790424595 /nfs/dbraw/zinc/42/45/95/790424595.db2.gz YJFKTJRSSCJBTM-GDPRMGEGSA-N 1 0 327.385 -2.309 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119886 790423769 /nfs/dbraw/zinc/42/37/69/790423769.db2.gz YJFKTJRSSCJBTM-IEBDPFPHSA-N 1 0 327.385 -2.309 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C)nc2)C1)C(N)=O ZINC001186119900 790424337 /nfs/dbraw/zinc/42/43/37/790424337.db2.gz YUSVEIUPTCVCJU-KGLIPLIRSA-N 1 0 348.407 -1.144 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)C(N)=O ZINC001186119907 790424916 /nfs/dbraw/zinc/42/49/16/790424916.db2.gz ZBGGDTALMPROPX-MNOVXSKESA-N 1 0 327.385 -2.355 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1)C(N)=O ZINC001186119920 790424834 /nfs/dbraw/zinc/42/48/34/790424834.db2.gz ZLKZVCARLMSRFU-RTXFEEFZSA-N 1 0 328.413 -1.282 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCC[C@H](C)O)C1)C(N)=O ZINC001186119921 790423560 /nfs/dbraw/zinc/42/35/60/790423560.db2.gz ZLKZVCARLMSRFU-UHTWSYAYSA-N 1 0 328.413 -1.282 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1)C(N)=O ZINC001186119942 790423642 /nfs/dbraw/zinc/42/36/42/790423642.db2.gz ZZFHIXHEVYNZPS-MXWKQRLJSA-N 1 0 327.385 -2.179 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1)C(N)=O ZINC001186119943 790424254 /nfs/dbraw/zinc/42/42/54/790424254.db2.gz ZZFHIXHEVYNZPS-VWYCJHECSA-N 1 0 327.385 -2.179 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186134357 790424131 /nfs/dbraw/zinc/42/41/31/790424131.db2.gz ASKVKDLVEHKUTN-AAEUAGOBSA-N 1 0 326.397 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186134358 790423535 /nfs/dbraw/zinc/42/35/35/790423535.db2.gz ASKVKDLVEHKUTN-DGCLKSJQSA-N 1 0 326.397 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186134359 790424327 /nfs/dbraw/zinc/42/43/27/790424327.db2.gz ASKVKDLVEHKUTN-WCQYABFASA-N 1 0 326.397 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186134360 790424995 /nfs/dbraw/zinc/42/49/95/790424995.db2.gz ASKVKDLVEHKUTN-YPMHNXCESA-N 1 0 326.397 -1.407 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135621 790424514 /nfs/dbraw/zinc/42/45/14/790424514.db2.gz KDURCWLNGUQPJO-GXTWGEPZSA-N 1 0 340.424 -1.064 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135623 790423936 /nfs/dbraw/zinc/42/39/36/790423936.db2.gz KDURCWLNGUQPJO-JSGCOSHPSA-N 1 0 340.424 -1.064 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135624 790425023 /nfs/dbraw/zinc/42/50/23/790425023.db2.gz KDURCWLNGUQPJO-OCCSQVGLSA-N 1 0 340.424 -1.064 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135626 790423947 /nfs/dbraw/zinc/42/39/47/790423947.db2.gz KDURCWLNGUQPJO-TZMCWYRMSA-N 1 0 340.424 -1.064 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135724 790423623 /nfs/dbraw/zinc/42/36/23/790423623.db2.gz LMGAHQFZICTRPM-GXTWGEPZSA-N 1 0 340.424 -1.016 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135725 790424578 /nfs/dbraw/zinc/42/45/78/790424578.db2.gz LMGAHQFZICTRPM-JSGCOSHPSA-N 1 0 340.424 -1.016 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135726 790424189 /nfs/dbraw/zinc/42/41/89/790424189.db2.gz LMGAHQFZICTRPM-OCCSQVGLSA-N 1 0 340.424 -1.016 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001186135727 790424614 /nfs/dbraw/zinc/42/46/14/790424614.db2.gz LMGAHQFZICTRPM-TZMCWYRMSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]CC(N)=O)CC1 ZINC001186136102 790423711 /nfs/dbraw/zinc/42/37/11/790423711.db2.gz NJWXZKMTOPMDJX-BLLLJJGKSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]CC(N)=O)CC1 ZINC001186136104 790424121 /nfs/dbraw/zinc/42/41/21/790424121.db2.gz NJWXZKMTOPMDJX-LRDDRELGSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001186136105 790423954 /nfs/dbraw/zinc/42/39/54/790423954.db2.gz NJWXZKMTOPMDJX-MLGOLLRUSA-N 1 0 340.424 -1.016 20 0 EAADRO CNC(=O)CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001186136107 790425079 /nfs/dbraw/zinc/42/50/79/790425079.db2.gz NJWXZKMTOPMDJX-WBMJQRKESA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186136934 790425006 /nfs/dbraw/zinc/42/50/06/790425006.db2.gz ITBNQXBDRHKIOH-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186136935 790423784 /nfs/dbraw/zinc/42/37/84/790423784.db2.gz ITBNQXBDRHKIOH-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]CCOCCO)CC1 ZINC001186137128 790424645 /nfs/dbraw/zinc/42/46/45/790424645.db2.gz UDASQUAFUWCKOX-KBPBESRZSA-N 1 0 343.424 -1.144 20 0 EAADRO NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001186137129 790424822 /nfs/dbraw/zinc/42/48/22/790424822.db2.gz UDASQUAFUWCKOX-KGLIPLIRSA-N 1 0 343.424 -1.144 20 0 EAADRO NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]CCOCCO)CC1 ZINC001186137130 790424902 /nfs/dbraw/zinc/42/49/02/790424902.db2.gz UDASQUAFUWCKOX-UONOGXRCSA-N 1 0 343.424 -1.144 20 0 EAADRO NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001186137131 790424539 /nfs/dbraw/zinc/42/45/39/790424539.db2.gz UDASQUAFUWCKOX-ZIAGYGMSSA-N 1 0 343.424 -1.144 20 0 EAADRO CC1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001186137375 790423915 /nfs/dbraw/zinc/42/39/15/790423915.db2.gz KXWVWGOKEWTXOJ-LLVKDONJSA-N 1 0 339.396 -1.370 20 0 EAADRO COCc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001186145338 790424204 /nfs/dbraw/zinc/42/42/04/790424204.db2.gz MSFPFUDDANAVKN-MRVPVSSYSA-N 1 0 325.325 -1.180 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 ZINC001186154705 790424269 /nfs/dbraw/zinc/42/42/69/790424269.db2.gz AKJLMYKBSMSYQQ-RISCZKNCSA-N 1 0 328.413 -1.290 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)C(C)C ZINC001186154713 790424139 /nfs/dbraw/zinc/42/41/39/790424139.db2.gz AZNYEJKLSHLNFJ-LOWVWBTDSA-N 1 0 328.413 -1.162 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1)C(C)C ZINC001186154714 790424417 /nfs/dbraw/zinc/42/44/17/790424417.db2.gz AZNYEJKLSHLNFJ-WZRBSPASSA-N 1 0 328.413 -1.162 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C(C)C ZINC001186154901 790423856 /nfs/dbraw/zinc/42/38/56/790423856.db2.gz FZDKVIDSBGSAHW-BZPMIXESSA-N 1 0 340.424 -1.147 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C(C)C ZINC001186154926 790424172 /nfs/dbraw/zinc/42/41/72/790424172.db2.gz FZDKVIDSBGSAHW-DYEKYZERSA-N 1 0 340.424 -1.147 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3cccnn32)C1 ZINC001186155054 790423471 /nfs/dbraw/zinc/42/34/71/790423471.db2.gz IQLCYWKQGSYWRO-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1)C(C)C ZINC001186155225 790424162 /nfs/dbraw/zinc/42/41/62/790424162.db2.gz MGDKXTCBPOUZGV-IPYPFGDCSA-N 1 0 345.440 -1.029 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1)C(C)C ZINC001186155226 790424586 /nfs/dbraw/zinc/42/45/86/790424586.db2.gz MGDKXTCBPOUZGV-NFAWXSAZSA-N 1 0 345.440 -1.029 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3cccnn32)C1 ZINC001186156366 790426901 /nfs/dbraw/zinc/42/69/01/790426901.db2.gz YKBXAUZQJYQVOV-SECBINFHSA-N 1 0 331.336 -1.272 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001186163709 790423899 /nfs/dbraw/zinc/42/38/99/790423899.db2.gz BIHNHJGUQKUQHC-GFCCVEGCSA-N 1 0 326.397 -1.486 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186163731 790424788 /nfs/dbraw/zinc/42/47/88/790424788.db2.gz CEESMGGEUDYBIL-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186163827 790423587 /nfs/dbraw/zinc/42/35/87/790423587.db2.gz GTLGFYUXPIHXMG-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001186163923 790424803 /nfs/dbraw/zinc/42/48/03/790424803.db2.gz GYFVRSRKUVDVOT-LLVKDONJSA-N 1 0 339.396 -2.386 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186163948 790424708 /nfs/dbraw/zinc/42/47/08/790424708.db2.gz HWAFVJPQTPDWEY-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001186163954 790424842 /nfs/dbraw/zinc/42/48/42/790424842.db2.gz IFZSDVQJEJCVOG-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001186163955 790424691 /nfs/dbraw/zinc/42/46/91/790424691.db2.gz IFZSDVQJEJCVOG-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186164182 790424936 /nfs/dbraw/zinc/42/49/36/790424936.db2.gz OYIRFKZQKXXFAH-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001186164352 790424385 /nfs/dbraw/zinc/42/43/85/790424385.db2.gz SJSAUNABSZMLCL-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001186164381 790424292 /nfs/dbraw/zinc/42/42/92/790424292.db2.gz UIVUEAMYIPYOKA-LLVKDONJSA-N 1 0 339.396 -1.357 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186164469 790424005 /nfs/dbraw/zinc/42/40/05/790424005.db2.gz YMUGTJNGSISIAT-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186164470 790425035 /nfs/dbraw/zinc/42/50/35/790425035.db2.gz YMUGTJNGSISIAT-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186170710 790425877 /nfs/dbraw/zinc/42/58/77/790425877.db2.gz FGXAVQIJQSITAD-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C(C)C ZINC001186171043 790427044 /nfs/dbraw/zinc/42/70/44/790427044.db2.gz LTCHJCGHCNWODQ-HIFRSBDPSA-N 1 0 345.440 -1.027 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001186171343 790426766 /nfs/dbraw/zinc/42/67/66/790426766.db2.gz SRDRRGJLCXEIBW-OLZOCXBDSA-N 1 0 340.424 -1.362 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001186171405 790425581 /nfs/dbraw/zinc/42/55/81/790425581.db2.gz VPUIMZUTEOJTBK-LLVKDONJSA-N 1 0 334.442 -1.453 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001186171406 790425746 /nfs/dbraw/zinc/42/57/46/790425746.db2.gz VQTUSVUNXDQQNO-GFCCVEGCSA-N 1 0 346.453 -1.309 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186177019 790426370 /nfs/dbraw/zinc/42/63/70/790426370.db2.gz BVFHKJIIJMEWTD-AXFHLTTASA-N 1 0 334.442 -1.376 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186177020 790425906 /nfs/dbraw/zinc/42/59/06/790425906.db2.gz BVFHKJIIJMEWTD-MXWKQRLJSA-N 1 0 334.442 -1.376 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001186178246 790426608 /nfs/dbraw/zinc/42/66/08/790426608.db2.gz ZGWGHMIMEZOCAX-TUAOUCFPSA-N 1 0 348.469 -1.115 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001186178247 790425945 /nfs/dbraw/zinc/42/59/45/790425945.db2.gz ZGWGHMIMEZOCAX-UTUOFQBUSA-N 1 0 348.469 -1.115 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186184081 790425794 /nfs/dbraw/zinc/42/57/94/790425794.db2.gz DCJATISKBBPENV-CYBMUJFWSA-N 1 0 328.413 -1.192 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001186184359 790426676 /nfs/dbraw/zinc/42/66/76/790426676.db2.gz HZZYAGDWRLMGEL-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001186184360 790426851 /nfs/dbraw/zinc/42/68/51/790426851.db2.gz HZZYAGDWRLMGEL-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001186184441 790426324 /nfs/dbraw/zinc/42/63/24/790426324.db2.gz JFZQUZDPYGQIQQ-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186184688 790426663 /nfs/dbraw/zinc/42/66/63/790426663.db2.gz JWTZQUAPCXYMIM-NXEZZACHSA-N 1 0 327.385 -1.501 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186184694 790427113 /nfs/dbraw/zinc/42/71/13/790427113.db2.gz JWTZQUAPCXYMIM-VHSXEESVSA-N 1 0 327.385 -1.501 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186184976 790425779 /nfs/dbraw/zinc/42/57/79/790425779.db2.gz ONNYYFXHLAGSPL-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186184991 790426929 /nfs/dbraw/zinc/42/69/29/790426929.db2.gz PMPYNVSDBJHKAA-CHWSQXEVSA-N 1 0 331.413 -1.321 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186184992 790426108 /nfs/dbraw/zinc/42/61/08/790426108.db2.gz PMPYNVSDBJHKAA-OLZOCXBDSA-N 1 0 331.413 -1.321 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)CCO1 ZINC001186185185 790426265 /nfs/dbraw/zinc/42/62/65/790426265.db2.gz ULVDPFDGAXGIFF-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)CCO1 ZINC001186185186 790426688 /nfs/dbraw/zinc/42/66/88/790426688.db2.gz ULVDPFDGAXGIFF-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001186185243 790425698 /nfs/dbraw/zinc/42/56/98/790425698.db2.gz XBXWXUMTWVGGSD-GFCCVEGCSA-N 1 0 348.469 -1.063 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186185297 790425868 /nfs/dbraw/zinc/42/58/68/790425868.db2.gz XRYYTGIQFXXTSB-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186193370 790427019 /nfs/dbraw/zinc/42/70/19/790427019.db2.gz AANCYZUMAFVDQQ-LLVKDONJSA-N 1 0 346.453 -1.263 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(N)=O ZINC001186193384 790426563 /nfs/dbraw/zinc/42/65/63/790426563.db2.gz ASFCWHDZXARZAE-NXEZZACHSA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(N)=O ZINC001186193385 790426648 /nfs/dbraw/zinc/42/66/48/790426648.db2.gz ASFCWHDZXARZAE-ZJUUUORDSA-N 1 0 334.442 -1.231 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186193391 790426297 /nfs/dbraw/zinc/42/62/97/790426297.db2.gz BCBXODVWEAZWNT-LLVKDONJSA-N 1 0 346.453 -1.217 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193392 790425639 /nfs/dbraw/zinc/42/56/39/790425639.db2.gz BDPRVBSXFRCKLE-SNVBAGLBSA-N 1 0 344.441 -1.167 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193407 790425829 /nfs/dbraw/zinc/42/58/29/790425829.db2.gz BXMQSWAKDJONPK-GHMZBOCLSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193408 790427011 /nfs/dbraw/zinc/42/70/11/790427011.db2.gz BXMQSWAKDJONPK-MNOVXSKESA-N 1 0 337.442 -1.488 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193694 790426578 /nfs/dbraw/zinc/42/65/78/790426578.db2.gz GKGAAMBEYCUPRT-SNVBAGLBSA-N 1 0 334.442 -1.407 20 0 EAADRO CC(C)c1nnnn1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186193696 790427104 /nfs/dbraw/zinc/42/71/04/790427104.db2.gz GRTCRJVAULAVHQ-GFCCVEGCSA-N 1 0 326.401 -1.004 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186193728 790427130 /nfs/dbraw/zinc/42/71/30/790427130.db2.gz IHXCIQFSCGEMCF-LLVKDONJSA-N 1 0 337.442 -1.486 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2nnnc2C(C)C)C1 ZINC001186193778 790427141 /nfs/dbraw/zinc/42/71/41/790427141.db2.gz KNFDCJGAXMRUJU-NEPJUHHUSA-N 1 0 326.401 -1.006 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2nnnc2C(C)C)C1 ZINC001186193779 790426547 /nfs/dbraw/zinc/42/65/47/790426547.db2.gz KNFDCJGAXMRUJU-VXGBXAGGSA-N 1 0 326.401 -1.006 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186193900 790425838 /nfs/dbraw/zinc/42/58/38/790425838.db2.gz MQEVDWWMWLBZEW-YPMHNXCESA-N 1 0 348.469 -1.161 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)C1=O ZINC001186193903 790426093 /nfs/dbraw/zinc/42/60/93/790426093.db2.gz MRZUOLGHIQZAKS-GHMZBOCLSA-N 1 0 346.453 -1.265 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)C1=O ZINC001186193904 790425812 /nfs/dbraw/zinc/42/58/12/790425812.db2.gz MRZUOLGHIQZAKS-MNOVXSKESA-N 1 0 346.453 -1.265 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001186193915 790426914 /nfs/dbraw/zinc/42/69/14/790426914.db2.gz NGQOWERFMVTTRU-YPMHNXCESA-N 1 0 348.469 -1.113 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186193925 790425803 /nfs/dbraw/zinc/42/58/03/790425803.db2.gz NMDDRLLVKMGOJO-LLVKDONJSA-N 1 0 344.441 -1.204 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186193957 790426797 /nfs/dbraw/zinc/42/67/97/790426797.db2.gz ORSRFCBJSCNTAG-NXEZZACHSA-N 1 0 332.426 -1.607 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186193958 790426489 /nfs/dbraw/zinc/42/64/89/790426489.db2.gz ORSRFCBJSCNTAG-ZJUUUORDSA-N 1 0 332.426 -1.607 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193965 790425660 /nfs/dbraw/zinc/42/56/60/790425660.db2.gz OZNJQNKMUHOKDN-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CC(C)c1nnnn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186193986 790426987 /nfs/dbraw/zinc/42/69/87/790426987.db2.gz QLXCLYNTWJDOKG-SECBINFHSA-N 1 0 338.372 -1.818 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001186194004 790426871 /nfs/dbraw/zinc/42/68/71/790426871.db2.gz REIPGVKOIQZIGO-PWSUYJOCSA-N 1 0 334.442 -1.503 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(=O)N(C)C ZINC001186194005 790426695 /nfs/dbraw/zinc/42/66/95/790426695.db2.gz RISNNJSRGAMHNG-GHMZBOCLSA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(=O)N(C)C ZINC001186194006 790425715 /nfs/dbraw/zinc/42/57/15/790425715.db2.gz RISNNJSRGAMHNG-WDEREUQCSA-N 1 0 348.469 -1.019 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186194022 790426351 /nfs/dbraw/zinc/42/63/51/790426351.db2.gz RVZUCVBQGFIOEK-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186194062 790426629 /nfs/dbraw/zinc/42/66/29/790426629.db2.gz VAWZDMZGIDOIOL-MRVPVSSYSA-N 1 0 349.413 -2.300 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186194084 790426250 /nfs/dbraw/zinc/42/62/50/790426250.db2.gz VYCNJJZRPOZABZ-GHMZBOCLSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186194085 790426061 /nfs/dbraw/zinc/42/60/61/790426061.db2.gz VYCNJJZRPOZABZ-MNOVXSKESA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186194148 790427000 /nfs/dbraw/zinc/42/70/00/790427000.db2.gz YUNAFFSNAFIUAU-UTUOFQBUSA-N 1 0 346.453 -1.361 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186194149 790426968 /nfs/dbraw/zinc/42/69/68/790426968.db2.gz YUNAFFSNAFIUAU-WOPDTQHZSA-N 1 0 346.453 -1.361 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186194151 790426885 /nfs/dbraw/zinc/42/68/85/790426885.db2.gz YUYGZFZEORGPLR-NXEZZACHSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186194152 790426128 /nfs/dbraw/zinc/42/61/28/790426128.db2.gz YUYGZFZEORGPLR-VHSXEESVSA-N 1 0 334.442 -1.361 20 0 EAADRO COCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)C2(C1)CCOCC2 ZINC001186203703 790426429 /nfs/dbraw/zinc/42/64/29/790426429.db2.gz RGMAMASYKXZEER-LLVKDONJSA-N 1 0 342.396 -1.328 20 0 EAADRO COCC(=O)N1C[C@H](C[NH2+]CC(=O)NC(N)=O)C2(C1)CCOCC2 ZINC001186203705 790425567 /nfs/dbraw/zinc/42/55/67/790425567.db2.gz RGMAMASYKXZEER-NSHDSACASA-N 1 0 342.396 -1.328 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186234531 790426731 /nfs/dbraw/zinc/42/67/31/790426731.db2.gz IZPYCXJVQSEQGY-GHMZBOCLSA-N 1 0 332.426 -1.701 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186234532 790425850 /nfs/dbraw/zinc/42/58/50/790425850.db2.gz IZPYCXJVQSEQGY-MNOVXSKESA-N 1 0 332.426 -1.701 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186234546 790426176 /nfs/dbraw/zinc/42/61/76/790426176.db2.gz JSTPWBNIKIUALY-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186234547 790426449 /nfs/dbraw/zinc/42/64/49/790426449.db2.gz JSTPWBNIKIUALY-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235007 790427093 /nfs/dbraw/zinc/42/70/93/790427093.db2.gz NHUNMISPFINKFD-NEPJUHHUSA-N 1 0 346.453 -1.265 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235008 790426978 /nfs/dbraw/zinc/42/69/78/790426978.db2.gz NHUNMISPFINKFD-VXGBXAGGSA-N 1 0 346.453 -1.265 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235287 790428363 /nfs/dbraw/zinc/42/83/63/790428363.db2.gz SLJXMXOTQYAYHR-CHWSQXEVSA-N 1 0 349.453 -1.126 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235288 790428662 /nfs/dbraw/zinc/42/86/62/790428662.db2.gz SLJXMXOTQYAYHR-OLZOCXBDSA-N 1 0 349.453 -1.126 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235302 790427559 /nfs/dbraw/zinc/42/75/59/790427559.db2.gz STXYJJNDLJJECP-GRYCIOLGSA-N 1 0 335.426 -1.782 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235304 790428240 /nfs/dbraw/zinc/42/82/40/790428240.db2.gz STXYJJNDLJJECP-IJLUTSLNSA-N 1 0 335.426 -1.782 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235305 790428393 /nfs/dbraw/zinc/42/83/93/790428393.db2.gz STXYJJNDLJJECP-UTUOFQBUSA-N 1 0 335.426 -1.782 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235306 790428865 /nfs/dbraw/zinc/42/88/65/790428865.db2.gz STXYJJNDLJJECP-WOPDTQHZSA-N 1 0 335.426 -1.782 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235317 790428369 /nfs/dbraw/zinc/42/83/69/790428369.db2.gz UMSVAVRFFOSXMO-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235318 790427962 /nfs/dbraw/zinc/42/79/62/790427962.db2.gz UMSVAVRFFOSXMO-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001186235328 790427692 /nfs/dbraw/zinc/42/76/92/790427692.db2.gz VARWQJRHJVUIQB-LLVKDONJSA-N 1 0 337.384 -1.885 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)S1(=O)=O ZINC001186235330 790427879 /nfs/dbraw/zinc/42/78/79/790427879.db2.gz VEEACKGCWCXSRA-BDAKNGLRSA-N 1 0 347.397 -2.594 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)S1(=O)=O ZINC001186235331 790428766 /nfs/dbraw/zinc/42/87/66/790428766.db2.gz VEEACKGCWCXSRA-RKDXNWHRSA-N 1 0 347.397 -2.594 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235354 790428373 /nfs/dbraw/zinc/42/83/73/790428373.db2.gz WCXJGUGTLPCCGT-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235355 790428078 /nfs/dbraw/zinc/42/80/78/790428078.db2.gz WCXJGUGTLPCCGT-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)S1(=O)=O ZINC001186235391 790427682 /nfs/dbraw/zinc/42/76/82/790427682.db2.gz YASOPBGXKPJCSI-NEPJUHHUSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)S1(=O)=O ZINC001186235392 790428579 /nfs/dbraw/zinc/42/85/79/790428579.db2.gz YASOPBGXKPJCSI-VXGBXAGGSA-N 1 0 344.437 -1.511 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)S1(=O)=O ZINC001186235435 790428597 /nfs/dbraw/zinc/42/85/97/790428597.db2.gz YYPZMQXRBQUJNX-NEPJUHHUSA-N 1 0 335.426 -1.780 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)S1(=O)=O ZINC001186235438 790428336 /nfs/dbraw/zinc/42/83/36/790428336.db2.gz YYPZMQXRBQUJNX-VXGBXAGGSA-N 1 0 335.426 -1.780 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](C[NH2+][C@@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186236182 790428609 /nfs/dbraw/zinc/42/86/09/790428609.db2.gz KRZLYJAYMONZSH-AAEUAGOBSA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186236183 790428317 /nfs/dbraw/zinc/42/83/17/790428317.db2.gz KRZLYJAYMONZSH-DGCLKSJQSA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186236186 790428140 /nfs/dbraw/zinc/42/81/40/790428140.db2.gz KRZLYJAYMONZSH-WCQYABFASA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](C[NH2+][C@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186236189 790428312 /nfs/dbraw/zinc/42/83/12/790428312.db2.gz KRZLYJAYMONZSH-YPMHNXCESA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186236574 790428743 /nfs/dbraw/zinc/42/87/43/790428743.db2.gz OQHFENHJPJUFQS-AAEUAGOBSA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186236575 790428220 /nfs/dbraw/zinc/42/82/20/790428220.db2.gz OQHFENHJPJUFQS-DGCLKSJQSA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186236576 790428212 /nfs/dbraw/zinc/42/82/12/790428212.db2.gz OQHFENHJPJUFQS-WCQYABFASA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186236577 790428098 /nfs/dbraw/zinc/42/80/98/790428098.db2.gz OQHFENHJPJUFQS-YPMHNXCESA-N 1 0 340.424 -1.159 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186236871 790428307 /nfs/dbraw/zinc/42/83/07/790428307.db2.gz QILNZAOHPNHCPA-GFCCVEGCSA-N 1 0 326.397 -1.547 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186236875 790427584 /nfs/dbraw/zinc/42/75/84/790427584.db2.gz QILNZAOHPNHCPA-LBPRGKRZSA-N 1 0 326.397 -1.547 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 ZINC001186237522 790428376 /nfs/dbraw/zinc/42/83/76/790428376.db2.gz UMJRWLLPEYMFEN-CYBMUJFWSA-N 1 0 340.424 -1.287 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 ZINC001186237523 790427942 /nfs/dbraw/zinc/42/79/42/790427942.db2.gz UMJRWLLPEYMFEN-ZDUSSCGKSA-N 1 0 340.424 -1.287 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186244812 790428755 /nfs/dbraw/zinc/42/87/55/790428755.db2.gz BCKZDZQCUSGWEN-CYBMUJFWSA-N 1 0 338.412 -1.100 20 0 EAADRO O=C(Cn1cnnn1)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186244813 790428067 /nfs/dbraw/zinc/42/80/67/790428067.db2.gz BCKZDZQCUSGWEN-ZDUSSCGKSA-N 1 0 338.412 -1.100 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 ZINC001186244982 790427695 /nfs/dbraw/zinc/42/76/95/790427695.db2.gz CUMDVHPGZJHLRY-CHWSQXEVSA-N 1 0 338.412 -1.101 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 ZINC001186244983 790428419 /nfs/dbraw/zinc/42/84/19/790428419.db2.gz CUMDVHPGZJHLRY-OLZOCXBDSA-N 1 0 338.412 -1.101 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 ZINC001186244984 790428161 /nfs/dbraw/zinc/42/81/61/790428161.db2.gz CUMDVHPGZJHLRY-QWHCGFSZSA-N 1 0 338.412 -1.101 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 ZINC001186244985 790428509 /nfs/dbraw/zinc/42/85/09/790428509.db2.gz CUMDVHPGZJHLRY-STQMWFEESA-N 1 0 338.412 -1.101 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245012 790427811 /nfs/dbraw/zinc/42/78/11/790427811.db2.gz DSPYHGNCUALKPM-NEPJUHHUSA-N 1 0 328.413 -1.120 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245013 790427831 /nfs/dbraw/zinc/42/78/31/790427831.db2.gz DSPYHGNCUALKPM-NWDGAFQWSA-N 1 0 328.413 -1.120 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245014 790427839 /nfs/dbraw/zinc/42/78/39/790427839.db2.gz DSPYHGNCUALKPM-RYUDHWBXSA-N 1 0 328.413 -1.120 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245015 790428359 /nfs/dbraw/zinc/42/83/59/790428359.db2.gz DSPYHGNCUALKPM-VXGBXAGGSA-N 1 0 328.413 -1.120 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 ZINC001186245228 790428479 /nfs/dbraw/zinc/42/84/79/790428479.db2.gz HDGYAWIJRYYJEW-LLVKDONJSA-N 1 0 337.384 -1.997 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 ZINC001186245229 790428733 /nfs/dbraw/zinc/42/87/33/790428733.db2.gz HDGYAWIJRYYJEW-NSHDSACASA-N 1 0 337.384 -1.997 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2)C(N)=O ZINC001186245294 790428534 /nfs/dbraw/zinc/42/85/34/790428534.db2.gz IZNBLPDMVQGRJX-GHMZBOCLSA-N 1 0 341.412 -1.627 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2)C(N)=O ZINC001186245295 790428208 /nfs/dbraw/zinc/42/82/08/790428208.db2.gz IZNBLPDMVQGRJX-MNOVXSKESA-N 1 0 341.412 -1.627 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2)C(N)=O ZINC001186245296 790428156 /nfs/dbraw/zinc/42/81/56/790428156.db2.gz IZNBLPDMVQGRJX-QWRGUYRKSA-N 1 0 341.412 -1.627 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2)C(N)=O ZINC001186245297 790427756 /nfs/dbraw/zinc/42/77/56/790427756.db2.gz IZNBLPDMVQGRJX-WDEREUQCSA-N 1 0 341.412 -1.627 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245401 790428038 /nfs/dbraw/zinc/42/80/38/790428038.db2.gz KGRYBHIFZFMORY-LLVKDONJSA-N 1 0 341.412 -1.755 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245402 790427718 /nfs/dbraw/zinc/42/77/18/790427718.db2.gz KGRYBHIFZFMORY-NSHDSACASA-N 1 0 341.412 -1.755 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245558 790428853 /nfs/dbraw/zinc/42/88/53/790428853.db2.gz NJDFJUNMLVUUPE-JTQLQIEISA-N 1 0 327.385 -2.015 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 ZINC001186245559 790428089 /nfs/dbraw/zinc/42/80/89/790428089.db2.gz NJDFJUNMLVUUPE-SNVBAGLBSA-N 1 0 327.385 -2.015 20 0 EAADRO NC(=O)NCC(=O)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186246602 790428167 /nfs/dbraw/zinc/42/81/67/790428167.db2.gz YKDUAQMZHTXMOR-GFCCVEGCSA-N 1 0 328.413 -1.118 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186246603 790427738 /nfs/dbraw/zinc/42/77/38/790427738.db2.gz YKDUAQMZHTXMOR-LBPRGKRZSA-N 1 0 328.413 -1.118 20 0 EAADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCCS1(=O)=O ZINC001186249627 790428142 /nfs/dbraw/zinc/42/81/42/790428142.db2.gz HTEIMNODSUDARM-NOZJJQNGSA-N 1 0 346.409 -1.661 20 0 EAADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCCS1(=O)=O ZINC001186249635 790427606 /nfs/dbraw/zinc/42/76/06/790427606.db2.gz HTEIMNODSUDARM-RNCFNFMXSA-N 1 0 346.409 -1.661 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186249810 790428196 /nfs/dbraw/zinc/42/81/96/790428196.db2.gz KANSWMQSEICYTB-KGXJWFGYSA-N 1 0 337.380 -1.699 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186250335 790428673 /nfs/dbraw/zinc/42/86/73/790428673.db2.gz RDPQWWCEYCWOKP-KGXJWFGYSA-N 1 0 337.380 -1.747 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1)NC1CC1 ZINC001186250782 790425677 /nfs/dbraw/zinc/42/56/77/790425677.db2.gz XFLAEKOMORBFKC-JRKQCGKRSA-N 1 0 349.391 -1.556 20 0 EAADRO O=C(C1CC2(C1)NC(=O)NC2=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186250968 790428139 /nfs/dbraw/zinc/42/81/39/790428139.db2.gz ZETVEPUKXNGCCE-LOIXOFCESA-N 1 0 340.380 -1.826 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186250972 790428489 /nfs/dbraw/zinc/42/84/89/790428489.db2.gz ZFMUWVLWLJRJJV-WWALYXLFSA-N 1 0 340.380 -1.828 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186250978 790428231 /nfs/dbraw/zinc/42/82/31/790428231.db2.gz ZFMUWVLWLJRJJV-YJVGMPMCSA-N 1 0 340.380 -1.828 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186258808 790430769 /nfs/dbraw/zinc/43/07/69/790430769.db2.gz FTQZSOPKHYQSSI-UONOGXRCSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186258814 790430920 /nfs/dbraw/zinc/43/09/20/790430920.db2.gz FTQZSOPKHYQSSI-ZIAGYGMSSA-N 1 0 340.424 -1.002 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186259923 790428176 /nfs/dbraw/zinc/42/81/76/790428176.db2.gz PLFPJPGJXOBILH-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186259924 790428499 /nfs/dbraw/zinc/42/84/99/790428499.db2.gz PLFPJPGJXOBILH-VHSXEESVSA-N 1 0 325.369 -1.699 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1)S(C)(=O)=O ZINC001186260082 790427653 /nfs/dbraw/zinc/42/76/53/790427653.db2.gz QOLBCOIXJSSPEB-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1)S(C)(=O)=O ZINC001186260084 790428798 /nfs/dbraw/zinc/42/87/98/790428798.db2.gz QOLBCOIXJSSPEB-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186260174 790428643 /nfs/dbraw/zinc/42/86/43/790428643.db2.gz RWYZJHONBMCXPL-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186260176 790428133 /nfs/dbraw/zinc/42/81/33/790428133.db2.gz RWYZJHONBMCXPL-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186260278 790428292 /nfs/dbraw/zinc/42/82/92/790428292.db2.gz ULFSYVMZYWJILX-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186260279 790427987 /nfs/dbraw/zinc/42/79/87/790427987.db2.gz ULFSYVMZYWJILX-WDEREUQCSA-N 1 0 339.396 -1.309 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186260522 790427851 /nfs/dbraw/zinc/42/78/51/790427851.db2.gz XWDLOMMZOVSIBF-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186260523 790428832 /nfs/dbraw/zinc/42/88/32/790428832.db2.gz XWDLOMMZOVSIBF-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186264361 790427633 /nfs/dbraw/zinc/42/76/33/790427633.db2.gz HSCOVZWLIMGFRL-CYBMUJFWSA-N 1 0 340.424 -1.205 20 0 EAADRO CC(=O)N(C)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186264363 790428172 /nfs/dbraw/zinc/42/81/72/790428172.db2.gz HSCOVZWLIMGFRL-ZDUSSCGKSA-N 1 0 340.424 -1.205 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCO2)CC12CCOCC2 ZINC001186264610 790428400 /nfs/dbraw/zinc/42/84/00/790428400.db2.gz JVRWUINJJWFNFC-CHWSQXEVSA-N 1 0 341.408 -1.268 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCO2)CC12CCOCC2 ZINC001186264611 790428129 /nfs/dbraw/zinc/42/81/29/790428129.db2.gz JVRWUINJJWFNFC-OLZOCXBDSA-N 1 0 341.408 -1.268 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2COCCO2)CC12CCOCC2 ZINC001186264612 790428224 /nfs/dbraw/zinc/42/82/24/790428224.db2.gz JVRWUINJJWFNFC-QWHCGFSZSA-N 1 0 341.408 -1.268 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COCCO2)CC12CCOCC2 ZINC001186264613 790428544 /nfs/dbraw/zinc/42/85/44/790428544.db2.gz JVRWUINJJWFNFC-STQMWFEESA-N 1 0 341.408 -1.268 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186268479 790427923 /nfs/dbraw/zinc/42/79/23/790427923.db2.gz BSWJANYHSMIWGU-SNVBAGLBSA-N 1 0 327.385 -1.466 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001186268811 790428380 /nfs/dbraw/zinc/42/83/80/790428380.db2.gz HWWXOBYZUOQJRP-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186268859 790428515 /nfs/dbraw/zinc/42/85/15/790428515.db2.gz JECTZVFDGRBZGM-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186268861 790428621 /nfs/dbraw/zinc/42/86/21/790428621.db2.gz JECTZVFDGRBZGM-WDEREUQCSA-N 1 0 332.426 -1.605 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186268869 790428322 /nfs/dbraw/zinc/42/83/22/790428322.db2.gz JNZYEZWDEKLXTA-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186268870 790428465 /nfs/dbraw/zinc/42/84/65/790428465.db2.gz JNZYEZWDEKLXTA-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)CNC(C)=O)C1 ZINC001186269050 790428047 /nfs/dbraw/zinc/42/80/47/790428047.db2.gz KHUBPYZSTYTULD-LLVKDONJSA-N 1 0 341.412 -1.205 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001186269905 790428875 /nfs/dbraw/zinc/42/88/75/790428875.db2.gz ZXYFKHHUBZOTLN-GXSJLCMTSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001186269906 790428555 /nfs/dbraw/zinc/42/85/55/790428555.db2.gz ZXYFKHHUBZOTLN-MWLCHTKSSA-N 1 0 341.412 -1.077 20 0 EAADRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186272475 790427766 /nfs/dbraw/zinc/42/77/66/790427766.db2.gz CHKXFMMADJJVHL-LLVKDONJSA-N 1 0 342.396 -1.328 20 0 EAADRO COC(=O)NCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186272477 790428786 /nfs/dbraw/zinc/42/87/86/790428786.db2.gz CHKXFMMADJJVHL-NSHDSACASA-N 1 0 342.396 -1.328 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)C2CCC2)C1 ZINC001186274971 790429994 /nfs/dbraw/zinc/42/99/94/790429994.db2.gz KWURGXZDXQXLJB-LLVKDONJSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001186275909 790429553 /nfs/dbraw/zinc/42/95/53/790429553.db2.gz UJNQNTKFEVEBQD-SECBINFHSA-N 1 0 347.335 -1.566 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3nncn3c2)C1 ZINC001186280507 790430279 /nfs/dbraw/zinc/43/02/79/790430279.db2.gz CGBFHEZBDXGALM-LLVKDONJSA-N 1 0 345.363 -1.011 20 0 EAADRO CS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186280546 790430966 /nfs/dbraw/zinc/43/09/66/790430966.db2.gz FIRBGPKHPIJJKH-SECBINFHSA-N 1 0 334.398 -1.803 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 ZINC001186280874 790429600 /nfs/dbraw/zinc/42/96/00/790429600.db2.gz MCQGOIYMKWBVSP-SNVBAGLBSA-N 1 0 348.425 -1.543 20 0 EAADRO CS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001186280928 790429921 /nfs/dbraw/zinc/42/99/21/790429921.db2.gz PCZXWTHKAVQBBM-GHMZBOCLSA-N 1 0 345.421 -1.193 20 0 EAADRO CS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001186280929 790429840 /nfs/dbraw/zinc/42/98/40/790429840.db2.gz PCZXWTHKAVQBBM-MNOVXSKESA-N 1 0 345.421 -1.193 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3nncn3c2)C1 ZINC001186281198 790430930 /nfs/dbraw/zinc/43/09/30/790430930.db2.gz WNOXTPRLALURGE-SNVBAGLBSA-N 1 0 331.336 -1.272 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186292324 790429937 /nfs/dbraw/zinc/42/99/37/790429937.db2.gz GJXAKZDLXGPVKH-GFCCVEGCSA-N 1 0 334.438 -1.132 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186292337 790429984 /nfs/dbraw/zinc/42/99/84/790429984.db2.gz GJXAKZDLXGPVKH-LBPRGKRZSA-N 1 0 334.438 -1.132 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186292671 790430522 /nfs/dbraw/zinc/43/05/22/790430522.db2.gz LUHVKUHDPQKICW-LLVKDONJSA-N 1 0 347.437 -1.639 20 0 EAADRO CS(=O)(=O)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186292672 790429950 /nfs/dbraw/zinc/42/99/50/790429950.db2.gz LUHVKUHDPQKICW-NSHDSACASA-N 1 0 347.437 -1.639 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001186296224 790429887 /nfs/dbraw/zinc/42/98/87/790429887.db2.gz PFABVTAEZMRFDU-NXEZZACHSA-N 1 0 348.425 -1.415 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001186296225 790430757 /nfs/dbraw/zinc/43/07/57/790430757.db2.gz PFABVTAEZMRFDU-VHSXEESVSA-N 1 0 348.425 -1.415 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC12CCOCC2 ZINC001186300796 790430406 /nfs/dbraw/zinc/43/04/06/790430406.db2.gz NVAFAQYAHBNWEJ-NWDGAFQWSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC12CCOCC2 ZINC001186300797 790430998 /nfs/dbraw/zinc/43/09/98/790430998.db2.gz NVAFAQYAHBNWEJ-VXGBXAGGSA-N 1 0 338.408 -1.405 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(=O)NC1CC1 ZINC001186303098 790430293 /nfs/dbraw/zinc/43/02/93/790430293.db2.gz AIZTUZOLUBHYOO-BXKDBHETSA-N 1 0 336.392 -1.103 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(=O)NC1CC1 ZINC001186303106 790430158 /nfs/dbraw/zinc/43/01/58/790430158.db2.gz AIZTUZOLUBHYOO-JOYOIKCWSA-N 1 0 336.392 -1.103 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C1CC1 ZINC001186303166 790431131 /nfs/dbraw/zinc/43/11/31/790431131.db2.gz AYXULVKIKUMDCX-LLVKDONJSA-N 1 0 336.392 -1.150 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186303211 790430981 /nfs/dbraw/zinc/43/09/81/790430981.db2.gz BCZPFBLPCCDUTK-SNVBAGLBSA-N 1 0 331.394 -1.726 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186303402 790430650 /nfs/dbraw/zinc/43/06/50/790430650.db2.gz DNNGIWTUXVRMLK-SNVBAGLBSA-N 1 0 346.409 -2.221 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186303431 790430804 /nfs/dbraw/zinc/43/08/04/790430804.db2.gz DYVPWHWEGHVOBI-LLVKDONJSA-N 1 0 345.421 -1.336 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186303605 790430693 /nfs/dbraw/zinc/43/06/93/790430693.db2.gz FKGUSTBKDJNNGY-MRVPVSSYSA-N 1 0 325.325 -2.575 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)NCC1CC1 ZINC001186303819 790429569 /nfs/dbraw/zinc/42/95/69/790429569.db2.gz HICQRVLMDKMHOM-GFCCVEGCSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C1CC1 ZINC001186303885 790430945 /nfs/dbraw/zinc/43/09/45/790430945.db2.gz JOIFOTCMBPNXFD-GFCCVEGCSA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(=O)NC(N)=O ZINC001186303887 790429762 /nfs/dbraw/zinc/42/97/62/790429762.db2.gz JOMFQGKRBHUOTD-IONNQARKSA-N 1 0 339.352 -2.187 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(=O)NC(N)=O ZINC001186303888 790430311 /nfs/dbraw/zinc/43/03/11/790430311.db2.gz JOMFQGKRBHUOTD-VXNVDRBHSA-N 1 0 339.352 -2.187 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001186304196 790431048 /nfs/dbraw/zinc/43/10/48/790431048.db2.gz JZGRSMLRVLZSEQ-CHWSQXEVSA-N 1 0 335.408 -1.039 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC1 ZINC001186304197 790431055 /nfs/dbraw/zinc/43/10/55/790431055.db2.gz JZGRSMLRVLZSEQ-OLZOCXBDSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)Nc1ccon1 ZINC001186304198 790430385 /nfs/dbraw/zinc/43/03/85/790430385.db2.gz JZNHTHQPIVKNDM-SNVBAGLBSA-N 1 0 349.347 -1.144 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186304286 790430335 /nfs/dbraw/zinc/43/03/35/790430335.db2.gz NAANJPNIFSNZII-GFCCVEGCSA-N 1 0 327.381 -1.107 20 0 EAADRO CC(=O)NC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCCC1 ZINC001186304715 790430117 /nfs/dbraw/zinc/43/01/17/790430117.db2.gz SNSLMVLYUYPAIV-LLVKDONJSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)s2)C1 ZINC001186305162 790430245 /nfs/dbraw/zinc/43/02/45/790430245.db2.gz VTEZFUPUVZHKCQ-SSDOTTSWSA-N 1 0 339.377 -1.154 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186305325 790429822 /nfs/dbraw/zinc/42/98/22/790429822.db2.gz ZHWIPLZEOCGMQP-SECBINFHSA-N 1 0 339.352 -2.315 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186308910 790430612 /nfs/dbraw/zinc/43/06/12/790430612.db2.gz AAYZDRIBSSFLKM-GFCCVEGCSA-N 1 0 340.424 -1.157 20 0 EAADRO CCC(=O)NCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186308911 790430227 /nfs/dbraw/zinc/43/02/27/790430227.db2.gz AAYZDRIBSSFLKM-LBPRGKRZSA-N 1 0 340.424 -1.157 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186309228 790430957 /nfs/dbraw/zinc/43/09/57/790430957.db2.gz CYNUOCYQKKCFDR-LLVKDONJSA-N 1 0 326.397 -1.547 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186309229 790429665 /nfs/dbraw/zinc/42/96/65/790429665.db2.gz CYNUOCYQKKCFDR-NSHDSACASA-N 1 0 326.397 -1.547 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186309699 790429773 /nfs/dbraw/zinc/42/97/73/790429773.db2.gz HYLLPCAESUUFGT-CHWSQXEVSA-N 1 0 343.424 -1.286 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186309712 790430206 /nfs/dbraw/zinc/43/02/06/790430206.db2.gz HYLLPCAESUUFGT-OLZOCXBDSA-N 1 0 343.424 -1.286 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186309714 790430217 /nfs/dbraw/zinc/43/02/17/790430217.db2.gz HYLLPCAESUUFGT-QWHCGFSZSA-N 1 0 343.424 -1.286 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186309715 790430734 /nfs/dbraw/zinc/43/07/34/790430734.db2.gz HYLLPCAESUUFGT-STQMWFEESA-N 1 0 343.424 -1.286 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186310176 790429542 /nfs/dbraw/zinc/42/95/42/790429542.db2.gz KKGZDSCBEPIQEP-NEPJUHHUSA-N 1 0 340.424 -1.030 20 0 EAADRO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186310177 790430076 /nfs/dbraw/zinc/43/00/76/790430076.db2.gz KKGZDSCBEPIQEP-NWDGAFQWSA-N 1 0 340.424 -1.030 20 0 EAADRO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186310178 790429908 /nfs/dbraw/zinc/42/99/08/790429908.db2.gz KKGZDSCBEPIQEP-RYUDHWBXSA-N 1 0 340.424 -1.030 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186310179 790430861 /nfs/dbraw/zinc/43/08/61/790430861.db2.gz KKGZDSCBEPIQEP-VXGBXAGGSA-N 1 0 340.424 -1.030 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186311439 790431040 /nfs/dbraw/zinc/43/10/40/790431040.db2.gz SWZIDNMCLYBLNT-NEPJUHHUSA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186311440 790429681 /nfs/dbraw/zinc/42/96/81/790429681.db2.gz SWZIDNMCLYBLNT-NWDGAFQWSA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186311441 790430511 /nfs/dbraw/zinc/43/05/11/790430511.db2.gz SWZIDNMCLYBLNT-RYUDHWBXSA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186311442 790430869 /nfs/dbraw/zinc/43/08/69/790430869.db2.gz SWZIDNMCLYBLNT-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO NC(=O)CC(=O)N1C[C@@H](C[NH2+]CCOCCO)C2(C1)CCOCC2 ZINC001186311449 790431150 /nfs/dbraw/zinc/43/11/50/790431150.db2.gz TXXKXPWVTBMCJM-CYBMUJFWSA-N 1 0 343.424 -1.285 20 0 EAADRO NC(=O)CC(=O)N1C[C@H](C[NH2+]CCOCCO)C2(C1)CCOCC2 ZINC001186311450 790430893 /nfs/dbraw/zinc/43/08/93/790430893.db2.gz TXXKXPWVTBMCJM-ZDUSSCGKSA-N 1 0 343.424 -1.285 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186311489 790430851 /nfs/dbraw/zinc/43/08/51/790430851.db2.gz UOSKZXWVDIBHES-GFCCVEGCSA-N 1 0 340.424 -1.205 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186311490 790429525 /nfs/dbraw/zinc/42/95/25/790429525.db2.gz UOSKZXWVDIBHES-LBPRGKRZSA-N 1 0 340.424 -1.205 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186311733 790430640 /nfs/dbraw/zinc/43/06/40/790430640.db2.gz WHVKHMJFODKZCH-GHMZBOCLSA-N 1 0 326.397 -1.420 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186311734 790430843 /nfs/dbraw/zinc/43/08/43/790430843.db2.gz WHVKHMJFODKZCH-MNOVXSKESA-N 1 0 326.397 -1.420 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186311736 790430629 /nfs/dbraw/zinc/43/06/29/790430629.db2.gz WHVKHMJFODKZCH-QWRGUYRKSA-N 1 0 326.397 -1.420 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2)C(N)=O ZINC001186311737 790431021 /nfs/dbraw/zinc/43/10/21/790431021.db2.gz WHVKHMJFODKZCH-WDEREUQCSA-N 1 0 326.397 -1.420 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)n1 ZINC001186311908 790431028 /nfs/dbraw/zinc/43/10/28/790431028.db2.gz FXPCXYJVDBXJED-NEPJUHHUSA-N 1 0 336.396 -1.398 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312176 790430140 /nfs/dbraw/zinc/43/01/40/790430140.db2.gz IIJGURDKRHITIU-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312177 790431099 /nfs/dbraw/zinc/43/10/99/790431099.db2.gz IIJGURDKRHITIU-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1)S(C)(=O)=O ZINC001186312189 790430492 /nfs/dbraw/zinc/43/04/92/790430492.db2.gz IYRJTCWSXOIADP-SNVBAGLBSA-N 1 0 330.414 -1.489 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)n1 ZINC001186312418 790429965 /nfs/dbraw/zinc/42/99/65/790429965.db2.gz OJRUBGQJWABPBR-NEPJUHHUSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)n1 ZINC001186312419 790430741 /nfs/dbraw/zinc/43/07/41/790430741.db2.gz OJRUBGQJWABPBR-VXGBXAGGSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)n1 ZINC001186312516 790429804 /nfs/dbraw/zinc/42/98/04/790429804.db2.gz RZFODTXRGDRNDX-GFCCVEGCSA-N 1 0 336.396 -1.086 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312578 790432602 /nfs/dbraw/zinc/43/26/02/790432602.db2.gz SWMWIQMSDOWKGO-SNVBAGLBSA-N 1 0 337.384 -1.145 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)n1 ZINC001186312606 790432559 /nfs/dbraw/zinc/43/25/59/790432559.db2.gz TZFYBGVVYWGGES-SNVBAGLBSA-N 1 0 335.368 -1.393 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001186312783 790432514 /nfs/dbraw/zinc/43/25/14/790432514.db2.gz WVBANXUPIZMKKI-CHWSQXEVSA-N 1 0 349.391 -1.513 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001186312784 790432412 /nfs/dbraw/zinc/43/24/12/790432412.db2.gz WVBANXUPIZMKKI-OLZOCXBDSA-N 1 0 349.391 -1.513 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312792 790432128 /nfs/dbraw/zinc/43/21/28/790432128.db2.gz XLKJQYDBRAUQER-NEPJUHHUSA-N 1 0 327.385 -1.357 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312793 790432707 /nfs/dbraw/zinc/43/27/07/790432707.db2.gz XLKJQYDBRAUQER-VXGBXAGGSA-N 1 0 327.385 -1.357 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312835 790432827 /nfs/dbraw/zinc/43/28/27/790432827.db2.gz ZNROZAAFISZQLF-LLVKDONJSA-N 1 0 344.441 -1.051 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186319207 790430353 /nfs/dbraw/zinc/43/03/53/790430353.db2.gz CSNNGHVKMBEWQE-GFCCVEGCSA-N 1 0 340.424 -1.157 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186319208 790429704 /nfs/dbraw/zinc/42/97/04/790429704.db2.gz CSNNGHVKMBEWQE-LBPRGKRZSA-N 1 0 340.424 -1.157 20 0 EAADRO COCCOCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186321066 790431124 /nfs/dbraw/zinc/43/11/24/790431124.db2.gz OXJNERMYJHQFJY-CYBMUJFWSA-N 1 0 343.424 -1.021 20 0 EAADRO COCCOCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186321067 790431115 /nfs/dbraw/zinc/43/11/15/790431115.db2.gz OXJNERMYJHQFJY-ZDUSSCGKSA-N 1 0 343.424 -1.021 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCCCOC)C2)CC1 ZINC001186321305 790430426 /nfs/dbraw/zinc/43/04/26/790430426.db2.gz JXPPSFJFDQIUEG-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)n1 ZINC001186321487 790430047 /nfs/dbraw/zinc/43/00/47/790430047.db2.gz KTHZAYYCAPMQRL-NWDGAFQWSA-N 1 0 336.396 -1.228 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)n1 ZINC001186321489 790430472 /nfs/dbraw/zinc/43/04/72/790430472.db2.gz KTHZAYYCAPMQRL-VXGBXAGGSA-N 1 0 336.396 -1.228 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186321579 790430448 /nfs/dbraw/zinc/43/04/48/790430448.db2.gz MGZOUEWWLKBXHO-SNVBAGLBSA-N 1 0 330.414 -1.442 20 0 EAADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)n1 ZINC001186321585 790430622 /nfs/dbraw/zinc/43/06/22/790430622.db2.gz MIMXEDNZEAHKOB-SNVBAGLBSA-N 1 0 335.368 -1.439 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186321995 790430903 /nfs/dbraw/zinc/43/09/03/790430903.db2.gz PLCIBWLUPUJMMD-SECBINFHSA-N 1 0 325.369 -1.841 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC001186322190 790430812 /nfs/dbraw/zinc/43/08/12/790430812.db2.gz VAAPLMGCQBOMCY-GFCCVEGCSA-N 1 0 338.408 -1.438 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186322253 790430362 /nfs/dbraw/zinc/43/03/62/790430362.db2.gz WKSCSXFQJQBJGX-GFCCVEGCSA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186322375 790430672 /nfs/dbraw/zinc/43/06/72/790430672.db2.gz ZBCUBQGVZJNSNC-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186322409 790430020 /nfs/dbraw/zinc/43/00/20/790430020.db2.gz ZJBQRAPHMGKANJ-LLVKDONJSA-N 1 0 344.441 -1.099 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC1 ZINC001186329445 790431974 /nfs/dbraw/zinc/43/19/74/790431974.db2.gz JOWSHAZSMJABKB-LLVKDONJSA-N 1 0 346.453 -1.406 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001186329490 790432710 /nfs/dbraw/zinc/43/27/10/790432710.db2.gz LMMCJRJQJCFPAC-SNVBAGLBSA-N 1 0 332.364 -1.119 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001186338641 790432525 /nfs/dbraw/zinc/43/25/25/790432525.db2.gz AYXUIWUBXJMXQV-LLVKDONJSA-N 1 0 336.392 -1.148 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186338684 790431661 /nfs/dbraw/zinc/43/16/61/790431661.db2.gz CYZZLQVEMAYUMJ-LLVKDONJSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1)C(=O)NC(=O)NC1CC1 ZINC001186338905 790431941 /nfs/dbraw/zinc/43/19/41/790431941.db2.gz JPFVFDQJMBNMDJ-GXSJLCMTSA-N 1 0 349.395 -1.004 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1)C(=O)NC(=O)NC1CC1 ZINC001186338906 790432892 /nfs/dbraw/zinc/43/28/92/790432892.db2.gz JPFVFDQJMBNMDJ-MWLCHTKSSA-N 1 0 349.395 -1.004 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186339193 790432371 /nfs/dbraw/zinc/43/23/71/790432371.db2.gz PLWJCBKDLGFFEP-NXEZZACHSA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186339194 790431438 /nfs/dbraw/zinc/43/14/38/790431438.db2.gz PLWJCBKDLGFFEP-VHSXEESVSA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001186339257 790432939 /nfs/dbraw/zinc/43/29/39/790432939.db2.gz SKCOQRFAHIIDSS-SNVBAGLBSA-N 1 0 337.380 -1.745 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C2)CC1 ZINC001186339449 790432313 /nfs/dbraw/zinc/43/23/13/790432313.db2.gz XHXAHHBSZTYQCZ-CHWSQXEVSA-N 1 0 343.424 -1.273 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COCCOC)C2)CC1 ZINC001186339450 790432822 /nfs/dbraw/zinc/43/28/22/790432822.db2.gz XHXAHHBSZTYQCZ-OLZOCXBDSA-N 1 0 343.424 -1.273 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001186339592 790432812 /nfs/dbraw/zinc/43/28/12/790432812.db2.gz ZPTFRMABJOGTII-DTWKUNHWSA-N 1 0 325.369 -1.714 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001186339593 790432015 /nfs/dbraw/zinc/43/20/15/790432015.db2.gz ZPTFRMABJOGTII-RKDXNWHRSA-N 1 0 325.369 -1.714 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001186339596 790433017 /nfs/dbraw/zinc/43/30/17/790433017.db2.gz ZQWKEUGRXYSALC-SNVBAGLBSA-N 1 0 332.426 -1.748 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCOCCNC(C)=O)C2)CC1 ZINC001186339600 790432480 /nfs/dbraw/zinc/43/24/80/790432480.db2.gz ZVDRIYPBBZLAKD-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO O=C(CN1CN=NC1=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186349300 790432870 /nfs/dbraw/zinc/43/28/70/790432870.db2.gz IFFZOZVVDCLGHH-GFCCVEGCSA-N 1 0 339.396 -1.179 20 0 EAADRO O=C(CN1CN=NC1=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186349301 790431820 /nfs/dbraw/zinc/43/18/20/790431820.db2.gz IFFZOZVVDCLGHH-LBPRGKRZSA-N 1 0 339.396 -1.179 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186349922 790431522 /nfs/dbraw/zinc/43/15/22/790431522.db2.gz OWBOYBLICLIUNW-QWRGUYRKSA-N 1 0 341.412 -1.627 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186349923 790431740 /nfs/dbraw/zinc/43/17/40/790431740.db2.gz OWBOYBLICLIUNW-WDEREUQCSA-N 1 0 341.412 -1.627 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186351095 790431499 /nfs/dbraw/zinc/43/14/99/790431499.db2.gz ZMQBHNRPUCOGGQ-NWDGAFQWSA-N 1 0 328.413 -1.120 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186351097 790431514 /nfs/dbraw/zinc/43/15/14/790431514.db2.gz ZMQBHNRPUCOGGQ-RYUDHWBXSA-N 1 0 328.413 -1.120 20 0 EAADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N1CCOCC1 ZINC001186355525 790431754 /nfs/dbraw/zinc/43/17/54/790431754.db2.gz DNMXJHHQQLXWLB-LLVKDONJSA-N 1 0 341.412 -1.517 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001186355550 790432677 /nfs/dbraw/zinc/43/26/77/790432677.db2.gz GFFFFUOIFPEEFD-CYBMUJFWSA-N 1 0 333.454 -1.056 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001186355632 790432212 /nfs/dbraw/zinc/43/22/12/790432212.db2.gz KFPKOKANNSPGLM-GFCCVEGCSA-N 1 0 341.412 -1.645 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 ZINC001186355682 790432787 /nfs/dbraw/zinc/43/27/87/790432787.db2.gz BCQKFMVSLTTYIJ-GFCCVEGCSA-N 1 0 340.424 -1.287 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 ZINC001186355683 790431601 /nfs/dbraw/zinc/43/16/01/790431601.db2.gz BCQKFMVSLTTYIJ-LBPRGKRZSA-N 1 0 340.424 -1.287 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001186355840 790432764 /nfs/dbraw/zinc/43/27/64/790432764.db2.gz PGCQIDWDMSSPAJ-LLVKDONJSA-N 1 0 327.385 -1.906 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](C[NH2+][C@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186356178 790432361 /nfs/dbraw/zinc/43/23/61/790432361.db2.gz HVPSESBKZUZJIF-NEPJUHHUSA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186356179 790432053 /nfs/dbraw/zinc/43/20/53/790432053.db2.gz HVPSESBKZUZJIF-NWDGAFQWSA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](C[NH2+][C@@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186356180 790432470 /nfs/dbraw/zinc/43/24/70/790432470.db2.gz HVPSESBKZUZJIF-RYUDHWBXSA-N 1 0 340.424 -1.159 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)C2(C1)CCOCC2 ZINC001186356181 790432833 /nfs/dbraw/zinc/43/28/33/790432833.db2.gz HVPSESBKZUZJIF-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186357170 790431870 /nfs/dbraw/zinc/43/18/70/790431870.db2.gz SBCZOKGGSYEPOB-GFCCVEGCSA-N 1 0 340.424 -1.157 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186357171 790432757 /nfs/dbraw/zinc/43/27/57/790432757.db2.gz SBCZOKGGSYEPOB-LBPRGKRZSA-N 1 0 340.424 -1.157 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186357798 790432301 /nfs/dbraw/zinc/43/23/01/790432301.db2.gz YZJLSQWGFJKVKG-LLVKDONJSA-N 1 0 326.397 -1.547 20 0 EAADRO CNC(=O)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186357799 790432144 /nfs/dbraw/zinc/43/21/44/790432144.db2.gz YZJLSQWGFJKVKG-NSHDSACASA-N 1 0 326.397 -1.547 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCN2CCOCC2)C1)C(=O)NC(N)=O ZINC001186367339 790432838 /nfs/dbraw/zinc/43/28/38/790432838.db2.gz VUXVGVAYQYSIFK-NWDGAFQWSA-N 1 0 341.412 -1.517 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCN2CCOCC2)C1)C(=O)NC(N)=O ZINC001186367340 790432535 /nfs/dbraw/zinc/43/25/35/790432535.db2.gz VUXVGVAYQYSIFK-VXGBXAGGSA-N 1 0 341.412 -1.517 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001186367402 790432728 /nfs/dbraw/zinc/43/27/28/790432728.db2.gz YSSVFMAKKPHDGW-CYBMUJFWSA-N 1 0 348.469 -1.552 20 0 EAADRO Cn1cc(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)nn1 ZINC001186367681 790432043 /nfs/dbraw/zinc/43/20/43/790432043.db2.gz BZOASFBSJHJFRI-LLVKDONJSA-N 1 0 336.396 -1.241 20 0 EAADRO Cn1cc(C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)nn1 ZINC001186367682 790432575 /nfs/dbraw/zinc/43/25/75/790432575.db2.gz BZOASFBSJHJFRI-NSHDSACASA-N 1 0 336.396 -1.241 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186367736 790432595 /nfs/dbraw/zinc/43/25/95/790432595.db2.gz CVOJUOWXSXUSKF-NEPJUHHUSA-N 1 0 327.381 -1.068 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186367737 790432887 /nfs/dbraw/zinc/43/28/87/790432887.db2.gz CVOJUOWXSXUSKF-NWDGAFQWSA-N 1 0 327.381 -1.068 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186367738 790431772 /nfs/dbraw/zinc/43/17/72/790431772.db2.gz CVOJUOWXSXUSKF-RYUDHWBXSA-N 1 0 327.381 -1.068 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186367739 790431924 /nfs/dbraw/zinc/43/19/24/790431924.db2.gz CVOJUOWXSXUSKF-VXGBXAGGSA-N 1 0 327.381 -1.068 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC12CCOCC2 ZINC001186368092 790432955 /nfs/dbraw/zinc/43/29/55/790432955.db2.gz KHBCEVKTENBFAE-GHMZBOCLSA-N 1 0 340.380 -1.575 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC12CCOCC2 ZINC001186368093 790431931 /nfs/dbraw/zinc/43/19/31/790431931.db2.gz KHBCEVKTENBFAE-MNOVXSKESA-N 1 0 340.380 -1.575 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC12CCOCC2 ZINC001186368095 790431573 /nfs/dbraw/zinc/43/15/73/790431573.db2.gz KHBCEVKTENBFAE-QWRGUYRKSA-N 1 0 340.380 -1.575 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CC12CCOCC2 ZINC001186368097 790432629 /nfs/dbraw/zinc/43/26/29/790432629.db2.gz KHBCEVKTENBFAE-WDEREUQCSA-N 1 0 340.380 -1.575 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)n1 ZINC001186368416 790432243 /nfs/dbraw/zinc/43/22/43/790432243.db2.gz PFZZNVHAIBXVLO-LLVKDONJSA-N 1 0 336.396 -1.241 20 0 EAADRO Cn1cnc(C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)n1 ZINC001186368417 790432745 /nfs/dbraw/zinc/43/27/45/790432745.db2.gz PFZZNVHAIBXVLO-NSHDSACASA-N 1 0 336.396 -1.241 20 0 EAADRO Cn1nncc1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186368777 790432351 /nfs/dbraw/zinc/43/23/51/790432351.db2.gz VPMGDNXTRFHLOQ-LLVKDONJSA-N 1 0 336.396 -1.241 20 0 EAADRO Cn1nncc1C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186368778 790432254 /nfs/dbraw/zinc/43/22/54/790432254.db2.gz VPMGDNXTRFHLOQ-NSHDSACASA-N 1 0 336.396 -1.241 20 0 EAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCC[N@H+](C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001186370254 790432928 /nfs/dbraw/zinc/43/29/28/790432928.db2.gz RLPNQNJLOPHLCC-JSXSYOHWSA-N 1 0 332.397 -1.712 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371321 790434798 /nfs/dbraw/zinc/43/47/98/790434798.db2.gz GCRBOCHSRWIZED-LLVKDONJSA-N 1 0 337.380 -1.795 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371606 790434376 /nfs/dbraw/zinc/43/43/76/790434376.db2.gz KJJCMFROLBIWTA-LLVKDONJSA-N 1 0 337.380 -1.747 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371701 790433698 /nfs/dbraw/zinc/43/36/98/790433698.db2.gz MYFZHVIVGBDULM-NEPJUHHUSA-N 1 0 340.380 -1.876 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371702 790434106 /nfs/dbraw/zinc/43/41/06/790434106.db2.gz MYFZHVIVGBDULM-VXGBXAGGSA-N 1 0 340.380 -1.876 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371824 790433593 /nfs/dbraw/zinc/43/35/93/790433593.db2.gz OQMNLTZHYKOBKD-GHMZBOCLSA-N 1 0 337.380 -1.748 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371825 790434749 /nfs/dbraw/zinc/43/47/49/790434749.db2.gz OQMNLTZHYKOBKD-WDEREUQCSA-N 1 0 337.380 -1.748 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1)NC1CC1 ZINC001186371848 790434545 /nfs/dbraw/zinc/43/45/45/790434545.db2.gz PEAOLYLZGVUIFQ-GFCCVEGCSA-N 1 0 349.391 -1.604 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186371900 790434357 /nfs/dbraw/zinc/43/43/57/790434357.db2.gz QJZHDECVZUPLRT-GHMZBOCLSA-N 1 0 327.385 -2.307 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186371902 790434915 /nfs/dbraw/zinc/43/49/15/790434915.db2.gz QJZHDECVZUPLRT-MNOVXSKESA-N 1 0 327.385 -2.307 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186372726 790433924 /nfs/dbraw/zinc/43/39/24/790433924.db2.gz ZVVPJZTZXUCCSE-GFCCVEGCSA-N 1 0 340.380 -1.874 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 ZINC001186372829 790434992 /nfs/dbraw/zinc/43/49/92/790434992.db2.gz DMFOIMXPFLIPTD-CHWSQXEVSA-N 1 0 338.412 -1.101 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 ZINC001186372834 790434910 /nfs/dbraw/zinc/43/49/10/790434910.db2.gz DMFOIMXPFLIPTD-OLZOCXBDSA-N 1 0 338.412 -1.101 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 ZINC001186372836 790433961 /nfs/dbraw/zinc/43/39/61/790433961.db2.gz DMFOIMXPFLIPTD-QWHCGFSZSA-N 1 0 338.412 -1.101 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 ZINC001186372839 790434933 /nfs/dbraw/zinc/43/49/33/790434933.db2.gz DMFOIMXPFLIPTD-STQMWFEESA-N 1 0 338.412 -1.101 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 ZINC001186373469 790434333 /nfs/dbraw/zinc/43/43/33/790434333.db2.gz KQJLELKEIWKQAD-LLVKDONJSA-N 1 0 337.384 -1.997 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 ZINC001186373470 790434087 /nfs/dbraw/zinc/43/40/87/790434087.db2.gz KQJLELKEIWKQAD-NSHDSACASA-N 1 0 337.384 -1.997 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186374029 790434850 /nfs/dbraw/zinc/43/48/50/790434850.db2.gz QPAQTTBJMDWOAZ-CYBMUJFWSA-N 1 0 338.412 -1.100 20 0 EAADRO O=C(Cn1ncnn1)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186374030 790434583 /nfs/dbraw/zinc/43/45/83/790434583.db2.gz QPAQTTBJMDWOAZ-ZDUSSCGKSA-N 1 0 338.412 -1.100 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186376333 790434954 /nfs/dbraw/zinc/43/49/54/790434954.db2.gz BOGVLDRELPYBTG-NEPJUHHUSA-N 1 0 341.412 -1.917 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186376334 790434003 /nfs/dbraw/zinc/43/40/03/790434003.db2.gz BOGVLDRELPYBTG-VXGBXAGGSA-N 1 0 341.412 -1.917 20 0 EAADRO COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186376983 790434979 /nfs/dbraw/zinc/43/49/79/790434979.db2.gz JYQIGUOZZFZPPT-CHWSQXEVSA-N 1 0 328.413 -1.016 20 0 EAADRO COCCC[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186376984 790434572 /nfs/dbraw/zinc/43/45/72/790434572.db2.gz JYQIGUOZZFZPPT-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186377259 790434562 /nfs/dbraw/zinc/43/45/62/790434562.db2.gz MWNRKCZZVULWIA-CHWSQXEVSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186377260 790433943 /nfs/dbraw/zinc/43/39/43/790433943.db2.gz MWNRKCZZVULWIA-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186377297 790434855 /nfs/dbraw/zinc/43/48/55/790434855.db2.gz OPOUSOOPLGDNLI-AGIUHOORSA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186377298 790434923 /nfs/dbraw/zinc/43/49/23/790434923.db2.gz OPOUSOOPLGDNLI-FRRDWIJNSA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186377299 790434928 /nfs/dbraw/zinc/43/49/28/790434928.db2.gz OPOUSOOPLGDNLI-JHJVBQTASA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186377300 790434672 /nfs/dbraw/zinc/43/46/72/790434672.db2.gz OPOUSOOPLGDNLI-UPJWGTAASA-N 1 0 344.412 -2.046 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186377593 790434859 /nfs/dbraw/zinc/43/48/59/790434859.db2.gz VBUXYFAYQSIAET-CHWSQXEVSA-N 1 0 344.412 -2.044 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186377594 790434843 /nfs/dbraw/zinc/43/48/43/790434843.db2.gz VBUXYFAYQSIAET-OLZOCXBDSA-N 1 0 344.412 -2.044 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186377673 790433715 /nfs/dbraw/zinc/43/37/15/790433715.db2.gz ZSPSCTUHXLHPIU-NEPJUHHUSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186377674 790434680 /nfs/dbraw/zinc/43/46/80/790434680.db2.gz ZSPSCTUHXLHPIU-VXGBXAGGSA-N 1 0 341.412 -1.965 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001186383620 790434539 /nfs/dbraw/zinc/43/45/39/790434539.db2.gz DNXWTTYRZXITLH-LLVKDONJSA-N 1 0 341.412 -1.063 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001186384359 790434814 /nfs/dbraw/zinc/43/48/14/790434814.db2.gz LKRIVWSSMFCYJN-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001186384594 790434054 /nfs/dbraw/zinc/43/40/54/790434054.db2.gz RULGRSIYXVZHMQ-SNVBAGLBSA-N 1 0 327.385 -1.453 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186393247 790432580 /nfs/dbraw/zinc/43/25/80/790432580.db2.gz IGLZIOHDDFSZKF-CYBMUJFWSA-N 1 0 346.449 -1.132 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186393248 790432163 /nfs/dbraw/zinc/43/21/63/790432163.db2.gz IGLZIOHDDFSZKF-ZDUSSCGKSA-N 1 0 346.449 -1.132 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CC12CCOCC2 ZINC001186393557 790432102 /nfs/dbraw/zinc/43/21/02/790432102.db2.gz KYDNWJKFPFQQOA-GFCCVEGCSA-N 1 0 336.396 -1.392 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CC12CCOCC2 ZINC001186393558 790432750 /nfs/dbraw/zinc/43/27/50/790432750.db2.gz KYDNWJKFPFQQOA-LBPRGKRZSA-N 1 0 336.396 -1.392 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395329 790432966 /nfs/dbraw/zinc/43/29/66/790432966.db2.gz AYUHKRGDZRCCND-LLVKDONJSA-N 1 0 328.369 -1.608 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395387 790432425 /nfs/dbraw/zinc/43/24/25/790432425.db2.gz BRZVSDQMBBWMGS-SNVBAGLBSA-N 1 0 325.369 -1.747 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395508 790433001 /nfs/dbraw/zinc/43/30/01/790433001.db2.gz FLSMRDBIRPFZHA-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395622 790431883 /nfs/dbraw/zinc/43/18/83/790431883.db2.gz FMIUUKGWEVIBOG-SECBINFHSA-N 1 0 332.382 -2.227 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395651 790432909 /nfs/dbraw/zinc/43/29/09/790432909.db2.gz GDUJGEPXFCXSHG-LLVKDONJSA-N 1 0 339.396 -1.405 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C1CC1 ZINC001186395657 790431471 /nfs/dbraw/zinc/43/14/71/790431471.db2.gz GRABXSHTXGGOGD-SNVBAGLBSA-N 1 0 337.380 -1.651 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395735 790432635 /nfs/dbraw/zinc/43/26/35/790432635.db2.gz ISYDUMAEYVOASE-LLVKDONJSA-N 1 0 339.396 -1.499 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001186395738 790432903 /nfs/dbraw/zinc/43/29/03/790432903.db2.gz IWMGYWFQWXLAQH-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001186395740 790432505 /nfs/dbraw/zinc/43/25/05/790432505.db2.gz IWMGYWFQWXLAQH-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395783 790431613 /nfs/dbraw/zinc/43/16/13/790431613.db2.gz JWNBTPJJAIRPNU-SNVBAGLBSA-N 1 0 346.409 -1.837 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395878 790432946 /nfs/dbraw/zinc/43/29/46/790432946.db2.gz LEQFSWWIPCMOHP-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395896 790432853 /nfs/dbraw/zinc/43/28/53/790432853.db2.gz LMTVZZNWPRBSIU-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)NC1CC1 ZINC001186395911 790431688 /nfs/dbraw/zinc/43/16/88/790431688.db2.gz LZAOEJGCOGLFTF-GXSJLCMTSA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)NC1CC1 ZINC001186395912 790432395 /nfs/dbraw/zinc/43/23/95/790432395.db2.gz LZAOEJGCOGLFTF-MWLCHTKSSA-N 1 0 337.380 -1.604 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395955 790432328 /nfs/dbraw/zinc/43/23/28/790432328.db2.gz NDGSBTBCMSTQTA-MRVPVSSYSA-N 1 0 340.340 -2.816 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395960 790432088 /nfs/dbraw/zinc/43/20/88/790432088.db2.gz NPEOHNUWKRHHRM-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)NCC1CC1 ZINC001186395976 790432451 /nfs/dbraw/zinc/43/24/51/790432451.db2.gz OMEUYAWYTKVVRJ-LLVKDONJSA-N 1 0 337.380 -1.745 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395996 790432271 /nfs/dbraw/zinc/43/22/71/790432271.db2.gz PDEHSDXFAGGMKI-SSDOTTSWSA-N 1 0 326.313 -3.076 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001186396093 790431641 /nfs/dbraw/zinc/43/16/41/790431641.db2.gz QKAWBOXZJXPSKF-LLVKDONJSA-N 1 0 337.380 -1.745 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)N(C)C ZINC001186396105 790432649 /nfs/dbraw/zinc/43/26/49/790432649.db2.gz QVUVYGQSYFIHCL-NXEZZACHSA-N 1 0 325.369 -1.795 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)N(C)C ZINC001186396106 790432986 /nfs/dbraw/zinc/43/29/86/790432986.db2.gz QVUVYGQSYFIHCL-VHSXEESVSA-N 1 0 325.369 -1.795 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396198 790434760 /nfs/dbraw/zinc/43/47/60/790434760.db2.gz SCJDTXQKBXVFIY-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396200 790434637 /nfs/dbraw/zinc/43/46/37/790434637.db2.gz SCJDTXQKBXVFIY-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396257 790434617 /nfs/dbraw/zinc/43/46/17/790434617.db2.gz SNSBXLIKKUHNCG-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001186396568 790433840 /nfs/dbraw/zinc/43/38/40/790433840.db2.gz WXEHGFMFGNIMBO-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(C)CCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186396588 790434713 /nfs/dbraw/zinc/43/47/13/790434713.db2.gz XMZOZBMONNIMAK-LLVKDONJSA-N 1 0 341.412 -1.076 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396625 790434608 /nfs/dbraw/zinc/43/46/08/790434608.db2.gz YKVJUYVEMFGKJI-SECBINFHSA-N 1 0 347.397 -2.722 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396683 790433643 /nfs/dbraw/zinc/43/36/43/790433643.db2.gz ZNKRVBOWRWNWOR-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396684 790434034 /nfs/dbraw/zinc/43/40/34/790434034.db2.gz ZNKRVBOWRWNWOR-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)NC(N)=O ZINC001186396691 790434421 /nfs/dbraw/zinc/43/44/21/790434421.db2.gz ZWCCMVIUOVRKDN-HTQZYQBOSA-N 1 0 340.340 -2.688 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)NC(N)=O ZINC001186396693 790434517 /nfs/dbraw/zinc/43/45/17/790434517.db2.gz ZWCCMVIUOVRKDN-JGVFFNPUSA-N 1 0 340.340 -2.688 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186401966 790433610 /nfs/dbraw/zinc/43/36/10/790433610.db2.gz BRUYMADUZZSUPD-LLVKDONJSA-N 1 0 341.412 -1.755 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186401968 790434861 /nfs/dbraw/zinc/43/48/61/790434861.db2.gz BRUYMADUZZSUPD-NSHDSACASA-N 1 0 341.412 -1.755 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186402943 790434141 /nfs/dbraw/zinc/43/41/41/790434141.db2.gz WQDSUAZHSMMBEK-GFCCVEGCSA-N 1 0 328.413 -1.248 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186402944 790434808 /nfs/dbraw/zinc/43/48/08/790434808.db2.gz WQDSUAZHSMMBEK-LBPRGKRZSA-N 1 0 328.413 -1.248 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186403939 790434437 /nfs/dbraw/zinc/43/44/37/790434437.db2.gz DAUQCJZMRWQMGA-LLVKDONJSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001186403941 790433622 /nfs/dbraw/zinc/43/36/22/790433622.db2.gz DFXZFLQVGHMCJU-GXSJLCMTSA-N 1 0 341.412 -1.064 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001186403942 790434534 /nfs/dbraw/zinc/43/45/34/790434534.db2.gz DFXZFLQVGHMCJU-MWLCHTKSSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001186403959 790434739 /nfs/dbraw/zinc/43/47/39/790434739.db2.gz FAYMJMLTAWQGOB-PSASIEDQSA-N 1 0 327.385 -1.325 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001186403960 790433569 /nfs/dbraw/zinc/43/35/69/790433569.db2.gz FAYMJMLTAWQGOB-WCBMZHEXSA-N 1 0 327.385 -1.325 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001186404581 790434772 /nfs/dbraw/zinc/43/47/72/790434772.db2.gz LHXUKINUJBFUBL-LLVKDONJSA-N 1 0 334.442 -1.359 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186410434 790433503 /nfs/dbraw/zinc/43/35/03/790433503.db2.gz VWFJHDUHUGOKEL-LLVKDONJSA-N 1 0 340.424 -1.172 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186410435 790433519 /nfs/dbraw/zinc/43/35/19/790433519.db2.gz VWFJHDUHUGOKEL-NSHDSACASA-N 1 0 340.424 -1.172 20 0 EAADRO CCn1nc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)ccc1=O ZINC001186420568 790435668 /nfs/dbraw/zinc/43/56/68/790435668.db2.gz OWRLWKFRYFHQBE-SECBINFHSA-N 1 0 336.352 -1.738 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)NC1=O ZINC001186433243 790435614 /nfs/dbraw/zinc/43/56/14/790435614.db2.gz KFHBKEFUNTUHGP-CHWSQXEVSA-N 1 0 340.424 -1.153 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)NC1=O ZINC001186433244 790436477 /nfs/dbraw/zinc/43/64/77/790436477.db2.gz KFHBKEFUNTUHGP-OLZOCXBDSA-N 1 0 340.424 -1.153 20 0 EAADRO CN1C[C@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)NC1=O ZINC001186433245 790436405 /nfs/dbraw/zinc/43/64/05/790436405.db2.gz KFHBKEFUNTUHGP-QWHCGFSZSA-N 1 0 340.424 -1.153 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)NC1=O ZINC001186433246 790436512 /nfs/dbraw/zinc/43/65/12/790436512.db2.gz KFHBKEFUNTUHGP-STQMWFEESA-N 1 0 340.424 -1.153 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC12CCOCC2 ZINC001186433265 790435917 /nfs/dbraw/zinc/43/59/17/790435917.db2.gz KSSGRGBNZQXONS-NEPJUHHUSA-N 1 0 338.408 -1.547 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CC12CCOCC2 ZINC001186433266 790435973 /nfs/dbraw/zinc/43/59/73/790435973.db2.gz KSSGRGBNZQXONS-NWDGAFQWSA-N 1 0 338.408 -1.547 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CC12CCOCC2 ZINC001186433267 790436199 /nfs/dbraw/zinc/43/61/99/790436199.db2.gz KSSGRGBNZQXONS-RYUDHWBXSA-N 1 0 338.408 -1.547 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC12CCOCC2 ZINC001186433268 790436456 /nfs/dbraw/zinc/43/64/56/790436456.db2.gz KSSGRGBNZQXONS-VXGBXAGGSA-N 1 0 338.408 -1.547 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186434445 790436269 /nfs/dbraw/zinc/43/62/69/790436269.db2.gz UVVNRYWWWOHTBZ-CHWSQXEVSA-N 1 0 325.409 -1.040 20 0 EAADRO O=C([C@H]1CCNC1=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186434447 790435888 /nfs/dbraw/zinc/43/58/88/790435888.db2.gz UVVNRYWWWOHTBZ-OLZOCXBDSA-N 1 0 325.409 -1.040 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186434559 790435600 /nfs/dbraw/zinc/43/56/00/790435600.db2.gz UVVNRYWWWOHTBZ-QWHCGFSZSA-N 1 0 325.409 -1.040 20 0 EAADRO O=C([C@H]1CCNC1=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186434561 790436632 /nfs/dbraw/zinc/43/66/32/790436632.db2.gz UVVNRYWWWOHTBZ-STQMWFEESA-N 1 0 325.409 -1.040 20 0 EAADRO O=C(CNC(=O)C1CCOCC1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186435208 790435900 /nfs/dbraw/zinc/43/59/00/790435900.db2.gz GTLYZWBWUNUZAL-CHWSQXEVSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(CNC(=O)C1CCOCC1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186435211 790436327 /nfs/dbraw/zinc/43/63/27/790436327.db2.gz GTLYZWBWUNUZAL-OLZOCXBDSA-N 1 0 338.408 -1.392 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 ZINC001186435254 790436128 /nfs/dbraw/zinc/43/61/28/790436128.db2.gz IQUBHAJCZZZIDS-KGLIPLIRSA-N 1 0 343.424 -1.273 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 ZINC001186435257 790436593 /nfs/dbraw/zinc/43/65/93/790436593.db2.gz IQUBHAJCZZZIDS-ZIAGYGMSSA-N 1 0 343.424 -1.273 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 ZINC001186435679 790435869 /nfs/dbraw/zinc/43/58/69/790435869.db2.gz MKCZDZVGUFMMOL-GFCCVEGCSA-N 1 0 326.397 -1.534 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 ZINC001186435716 790435771 /nfs/dbraw/zinc/43/57/71/790435771.db2.gz MXMKDJFYAVNVLC-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1)C(N)=O ZINC001186435777 790436502 /nfs/dbraw/zinc/43/65/02/790436502.db2.gz ODWBSQMDPSPEIW-CHWSQXEVSA-N 1 0 340.424 -1.016 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1)C(N)=O ZINC001186435779 790436150 /nfs/dbraw/zinc/43/61/50/790436150.db2.gz ODWBSQMDPSPEIW-OLZOCXBDSA-N 1 0 340.424 -1.016 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 ZINC001186435799 790436624 /nfs/dbraw/zinc/43/66/24/790436624.db2.gz PFLIWSCNIVBHGX-CYBMUJFWSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 ZINC001186435830 790436186 /nfs/dbraw/zinc/43/61/86/790436186.db2.gz PUODOLLYECSWRV-DGCLKSJQSA-N 1 0 340.424 -1.146 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 ZINC001186435839 790436024 /nfs/dbraw/zinc/43/60/24/790436024.db2.gz PUODOLLYECSWRV-WCQYABFASA-N 1 0 340.424 -1.146 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1)C(N)=O ZINC001186435862 790436393 /nfs/dbraw/zinc/43/63/93/790436393.db2.gz QRJPKONPMDITIT-CMPLNLGQSA-N 1 0 326.397 -1.407 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1)C(N)=O ZINC001186435864 790436596 /nfs/dbraw/zinc/43/65/96/790436596.db2.gz QRJPKONPMDITIT-ZYHUDNBSSA-N 1 0 326.397 -1.407 20 0 EAADRO O=C(CNC(=O)C1CCOCC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186436151 790436239 /nfs/dbraw/zinc/43/62/39/790436239.db2.gz SCWDNCLCVUORSE-CQSZACIVSA-N 1 0 343.424 -1.271 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186443851 790433796 /nfs/dbraw/zinc/43/37/96/790433796.db2.gz BRORGCGSZQZMEZ-SNVBAGLBSA-N 1 0 330.414 -1.110 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001186443908 790434665 /nfs/dbraw/zinc/43/46/65/790434665.db2.gz FAWBXLOWYCLNSI-NXEZZACHSA-N 1 0 336.352 -1.881 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001186443909 790433752 /nfs/dbraw/zinc/43/37/52/790433752.db2.gz FAWBXLOWYCLNSI-ZJUUUORDSA-N 1 0 336.352 -1.881 20 0 EAADRO CC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC12CCOCC2 ZINC001186444332 790434986 /nfs/dbraw/zinc/43/49/86/790434986.db2.gz GFAGWQIMXYUMEL-GFCCVEGCSA-N 1 0 348.469 -1.095 20 0 EAADRO CC[NH2+]C[C@H]1CN(C(=O)CNS(=O)(=O)NC)CC12CCOCC2 ZINC001186444335 790434344 /nfs/dbraw/zinc/43/43/44/790434344.db2.gz GFAGWQIMXYUMEL-LBPRGKRZSA-N 1 0 348.469 -1.095 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186445006 790433680 /nfs/dbraw/zinc/43/36/80/790433680.db2.gz QOZXWTZKHCQLQR-SNVBAGLBSA-N 1 0 330.414 -1.062 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186445387 790434299 /nfs/dbraw/zinc/43/42/99/790434299.db2.gz PEKYKFHTNQUPCQ-NEPJUHHUSA-N 1 0 340.424 -1.172 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186445389 790433954 /nfs/dbraw/zinc/43/39/54/790433954.db2.gz PEKYKFHTNQUPCQ-NWDGAFQWSA-N 1 0 340.424 -1.172 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186445391 790434076 /nfs/dbraw/zinc/43/40/76/790434076.db2.gz PEKYKFHTNQUPCQ-RYUDHWBXSA-N 1 0 340.424 -1.172 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186445392 790433552 /nfs/dbraw/zinc/43/35/52/790433552.db2.gz PEKYKFHTNQUPCQ-VXGBXAGGSA-N 1 0 340.424 -1.172 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1)C(=O)N(C)C ZINC001186452586 790434488 /nfs/dbraw/zinc/43/44/88/790434488.db2.gz RKPPWUOKQSUTJI-NXEZZACHSA-N 1 0 337.384 -1.798 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1)C(=O)N(C)C ZINC001186452590 790435857 /nfs/dbraw/zinc/43/58/57/790435857.db2.gz RKPPWUOKQSUTJI-VHSXEESVSA-N 1 0 337.384 -1.798 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1)NCC(=O)N1CCCC1 ZINC001186452866 790436484 /nfs/dbraw/zinc/43/64/84/790436484.db2.gz UHPFSERBWCOQMN-LLVKDONJSA-N 1 0 349.395 -1.653 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1)C(=O)NC(=O)NC1CC1 ZINC001186453121 790436423 /nfs/dbraw/zinc/43/64/23/790436423.db2.gz XTIDRVPZQSFKKV-PSASIEDQSA-N 1 0 335.368 -1.015 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1)C(=O)NC(=O)NC1CC1 ZINC001186453122 790436435 /nfs/dbraw/zinc/43/64/35/790436435.db2.gz XTIDRVPZQSFKKV-WCBMZHEXSA-N 1 0 335.368 -1.015 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001186458174 790436376 /nfs/dbraw/zinc/43/63/76/790436376.db2.gz HECWHRZDQIBTOL-SNVBAGLBSA-N 1 0 338.393 -1.027 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001186458227 790436245 /nfs/dbraw/zinc/43/62/45/790436245.db2.gz KGIDZVITJJYRNY-SECBINFHSA-N 1 0 346.351 -1.616 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001186459761 790436298 /nfs/dbraw/zinc/43/62/98/790436298.db2.gz ZTTMRMXKWGCTSE-MRVPVSSYSA-N 1 0 332.324 -1.877 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463882 790435696 /nfs/dbraw/zinc/43/56/96/790435696.db2.gz AZLOBMUSERRWTQ-GHMZBOCLSA-N 1 0 326.397 -1.549 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463883 790436120 /nfs/dbraw/zinc/43/61/20/790436120.db2.gz AZLOBMUSERRWTQ-MNOVXSKESA-N 1 0 326.397 -1.549 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463884 790436493 /nfs/dbraw/zinc/43/64/93/790436493.db2.gz AZLOBMUSERRWTQ-QWRGUYRKSA-N 1 0 326.397 -1.549 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463885 790436583 /nfs/dbraw/zinc/43/65/83/790436583.db2.gz AZLOBMUSERRWTQ-WDEREUQCSA-N 1 0 326.397 -1.549 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463942 790436527 /nfs/dbraw/zinc/43/65/27/790436527.db2.gz CNRZOYRMCLGHQU-NEPJUHHUSA-N 1 0 329.397 -1.676 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463943 790436050 /nfs/dbraw/zinc/43/60/50/790436050.db2.gz CNRZOYRMCLGHQU-NWDGAFQWSA-N 1 0 329.397 -1.676 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463944 790436067 /nfs/dbraw/zinc/43/60/67/790436067.db2.gz CNRZOYRMCLGHQU-RYUDHWBXSA-N 1 0 329.397 -1.676 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186463945 790435848 /nfs/dbraw/zinc/43/58/48/790435848.db2.gz CNRZOYRMCLGHQU-VXGBXAGGSA-N 1 0 329.397 -1.676 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C[NH2+]CCOCCO)C2(C1)CCOCC2 ZINC001186464166 790436577 /nfs/dbraw/zinc/43/65/77/790436577.db2.gz GKJADENQXAJPMZ-GFCCVEGCSA-N 1 0 329.397 -1.675 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C[NH2+]CCOCCO)C2(C1)CCOCC2 ZINC001186464167 790436093 /nfs/dbraw/zinc/43/60/93/790436093.db2.gz GKJADENQXAJPMZ-LBPRGKRZSA-N 1 0 329.397 -1.675 20 0 EAADRO Cn1nnc(C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)n1 ZINC001186464238 790436469 /nfs/dbraw/zinc/43/64/69/790436469.db2.gz IMSDMXQVMRQLRQ-JTQLQIEISA-N 1 0 337.384 -1.846 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)n1 ZINC001186464239 790436334 /nfs/dbraw/zinc/43/63/34/790436334.db2.gz IMSDMXQVMRQLRQ-SNVBAGLBSA-N 1 0 337.384 -1.846 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 ZINC001186464252 790436660 /nfs/dbraw/zinc/43/66/60/790436660.db2.gz ITIZTXTZQQGWRA-GHMZBOCLSA-N 1 0 339.396 -2.002 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 ZINC001186464253 790436638 /nfs/dbraw/zinc/43/66/38/790436638.db2.gz ITIZTXTZQQGWRA-MNOVXSKESA-N 1 0 339.396 -2.002 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 ZINC001186464254 790435583 /nfs/dbraw/zinc/43/55/83/790435583.db2.gz ITIZTXTZQQGWRA-QWRGUYRKSA-N 1 0 339.396 -2.002 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 ZINC001186464255 790436057 /nfs/dbraw/zinc/43/60/57/790436057.db2.gz ITIZTXTZQQGWRA-WDEREUQCSA-N 1 0 339.396 -2.002 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(=O)N(C)C ZINC001186464268 790436644 /nfs/dbraw/zinc/43/66/44/790436644.db2.gz IZUVYRZRVQYHCA-NEPJUHHUSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(=O)N(C)C ZINC001186464269 790435927 /nfs/dbraw/zinc/43/59/27/790435927.db2.gz IZUVYRZRVQYHCA-NWDGAFQWSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(=O)N(C)C ZINC001186464270 790436570 /nfs/dbraw/zinc/43/65/70/790436570.db2.gz IZUVYRZRVQYHCA-RYUDHWBXSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(=O)N(C)C ZINC001186464271 790436216 /nfs/dbraw/zinc/43/62/16/790436216.db2.gz IZUVYRZRVQYHCA-VXGBXAGGSA-N 1 0 340.424 -1.207 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464500 790436313 /nfs/dbraw/zinc/43/63/13/790436313.db2.gz LVDAVRREAILESM-SECBINFHSA-N 1 0 341.368 -2.489 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464501 790436139 /nfs/dbraw/zinc/43/61/39/790436139.db2.gz LVDAVRREAILESM-VIFPVBQESA-N 1 0 341.368 -2.489 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464532 790436500 /nfs/dbraw/zinc/43/65/00/790436500.db2.gz MVIZOEXWYRULHJ-GFCCVEGCSA-N 1 0 340.424 -1.205 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464533 790435945 /nfs/dbraw/zinc/43/59/45/790435945.db2.gz MVIZOEXWYRULHJ-LBPRGKRZSA-N 1 0 340.424 -1.205 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464662 790435789 /nfs/dbraw/zinc/43/57/89/790435789.db2.gz NNSXWTCJWZJEBK-GFCCVEGCSA-N 1 0 340.424 -1.157 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464663 790437657 /nfs/dbraw/zinc/43/76/57/790437657.db2.gz NNSXWTCJWZJEBK-LBPRGKRZSA-N 1 0 340.424 -1.157 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464724 790437684 /nfs/dbraw/zinc/43/76/84/790437684.db2.gz OKIOLMQODSBDRP-LLVKDONJSA-N 1 0 326.397 -1.547 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464725 790438125 /nfs/dbraw/zinc/43/81/25/790438125.db2.gz OKIOLMQODSBDRP-NSHDSACASA-N 1 0 326.397 -1.547 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464748 790438091 /nfs/dbraw/zinc/43/80/91/790438091.db2.gz OVDDRIZORLDWQX-LLVKDONJSA-N 1 0 347.437 -1.639 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464749 790438108 /nfs/dbraw/zinc/43/81/08/790438108.db2.gz OVDDRIZORLDWQX-NSHDSACASA-N 1 0 347.437 -1.639 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)C2(C1)CCOCC2 ZINC001186464814 790438140 /nfs/dbraw/zinc/43/81/40/790438140.db2.gz QIHGKKPHWUAMAX-GFCCVEGCSA-N 1 0 338.408 -1.451 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C[NH2+]CC(=O)N2CCC2)C2(C1)CCOCC2 ZINC001186464815 790438110 /nfs/dbraw/zinc/43/81/10/790438110.db2.gz QIHGKKPHWUAMAX-LBPRGKRZSA-N 1 0 338.408 -1.451 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(N)=O ZINC001186464860 790437335 /nfs/dbraw/zinc/43/73/35/790437335.db2.gz RAZQHEDUYWGUNX-GHMZBOCLSA-N 1 0 326.397 -1.420 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(N)=O ZINC001186464861 790438073 /nfs/dbraw/zinc/43/80/73/790438073.db2.gz RAZQHEDUYWGUNX-MNOVXSKESA-N 1 0 326.397 -1.420 20 0 EAADRO CC[C@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(N)=O ZINC001186464862 790437530 /nfs/dbraw/zinc/43/75/30/790437530.db2.gz RAZQHEDUYWGUNX-QWRGUYRKSA-N 1 0 326.397 -1.420 20 0 EAADRO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2)C(N)=O ZINC001186464863 790437428 /nfs/dbraw/zinc/43/74/28/790437428.db2.gz RAZQHEDUYWGUNX-WDEREUQCSA-N 1 0 326.397 -1.420 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464888 790438177 /nfs/dbraw/zinc/43/81/77/790438177.db2.gz RNGOAZMBIUGDBW-LLVKDONJSA-N 1 0 326.397 -1.595 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464889 790437533 /nfs/dbraw/zinc/43/75/33/790437533.db2.gz RNGOAZMBIUGDBW-NSHDSACASA-N 1 0 326.397 -1.595 20 0 EAADRO COCCOCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464952 790438019 /nfs/dbraw/zinc/43/80/19/790438019.db2.gz SPEZDSJNMMSGRP-CYBMUJFWSA-N 1 0 343.424 -1.021 20 0 EAADRO COCCOCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464953 790437883 /nfs/dbraw/zinc/43/78/83/790437883.db2.gz SPEZDSJNMMSGRP-ZDUSSCGKSA-N 1 0 343.424 -1.021 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)C2(C1)CCOCC2 ZINC001186465060 790438131 /nfs/dbraw/zinc/43/81/31/790438131.db2.gz WRBUCWLDCFJUHL-LLVKDONJSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C[NH2+]CC(=O)NC2CC2)C2(C1)CCOCC2 ZINC001186465061 790437637 /nfs/dbraw/zinc/43/76/37/790437637.db2.gz WRBUCWLDCFJUHL-NSHDSACASA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)C2(C1)CCOCC2 ZINC001186465142 790437781 /nfs/dbraw/zinc/43/77/81/790437781.db2.gz ZHGMJNJFMALFNH-GFCCVEGCSA-N 1 0 336.396 -1.392 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C[NH2+]CCn2cncn2)C2(C1)CCOCC2 ZINC001186465143 790437689 /nfs/dbraw/zinc/43/76/89/790437689.db2.gz ZHGMJNJFMALFNH-LBPRGKRZSA-N 1 0 336.396 -1.392 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186465148 790437765 /nfs/dbraw/zinc/43/77/65/790437765.db2.gz ZPFNIVVZBCRYCL-GFCCVEGCSA-N 1 0 340.424 -1.159 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186465149 790438107 /nfs/dbraw/zinc/43/81/07/790438107.db2.gz ZPFNIVVZBCRYCL-LBPRGKRZSA-N 1 0 340.424 -1.159 20 0 EAADRO O=C(c1ccncn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001186465422 790438032 /nfs/dbraw/zinc/43/80/32/790438032.db2.gz IEYZTFMGMIBOQW-NEPJUHHUSA-N 1 0 347.375 -1.209 20 0 EAADRO O=C(c1ccncn1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001186465423 790437321 /nfs/dbraw/zinc/43/73/21/790437321.db2.gz IEYZTFMGMIBOQW-VXGBXAGGSA-N 1 0 347.375 -1.209 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccncn2)C1)C(=O)N(C)C ZINC001186466222 790438144 /nfs/dbraw/zinc/43/81/44/790438144.db2.gz USITUAGCOJSGES-NWDGAFQWSA-N 1 0 348.407 -1.126 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccncn2)C1)C(=O)N(C)C ZINC001186466223 790437608 /nfs/dbraw/zinc/43/76/08/790437608.db2.gz USITUAGCOJSGES-VXGBXAGGSA-N 1 0 348.407 -1.126 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186472055 790436564 /nfs/dbraw/zinc/43/65/64/790436564.db2.gz IAVRBVYRAUSABD-CHWSQXEVSA-N 1 0 340.424 -1.105 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186472056 790436179 /nfs/dbraw/zinc/43/61/79/790436179.db2.gz IAVRBVYRAUSABD-OLZOCXBDSA-N 1 0 340.424 -1.105 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186472057 790435953 /nfs/dbraw/zinc/43/59/53/790435953.db2.gz IAVRBVYRAUSABD-QWHCGFSZSA-N 1 0 340.424 -1.105 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186472058 790435966 /nfs/dbraw/zinc/43/59/66/790435966.db2.gz IAVRBVYRAUSABD-STQMWFEESA-N 1 0 340.424 -1.105 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186472184 790436608 /nfs/dbraw/zinc/43/66/08/790436608.db2.gz JOWGQWIXMIVCSI-NEPJUHHUSA-N 1 0 326.397 -1.495 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186472190 790436647 /nfs/dbraw/zinc/43/66/47/790436647.db2.gz JOWGQWIXMIVCSI-NWDGAFQWSA-N 1 0 326.397 -1.495 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186472194 790436039 /nfs/dbraw/zinc/43/60/39/790436039.db2.gz JOWGQWIXMIVCSI-RYUDHWBXSA-N 1 0 326.397 -1.495 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186472197 790436210 /nfs/dbraw/zinc/43/62/10/790436210.db2.gz JOWGQWIXMIVCSI-VXGBXAGGSA-N 1 0 326.397 -1.495 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC12CCOCC2 ZINC001186473685 790436654 /nfs/dbraw/zinc/43/66/54/790436654.db2.gz RVCFNLJCAZDHQD-LLVKDONJSA-N 1 0 349.391 -1.286 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC12CCOCC2 ZINC001186473686 790436277 /nfs/dbraw/zinc/43/62/77/790436277.db2.gz RVCFNLJCAZDHQD-NSHDSACASA-N 1 0 349.391 -1.286 20 0 EAADRO O=C(c1cnon1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001186473833 790435999 /nfs/dbraw/zinc/43/59/99/790435999.db2.gz YHCWZSYJJKBIHO-NXEZZACHSA-N 1 0 337.336 -1.616 20 0 EAADRO O=C(c1cnon1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001186473836 790435754 /nfs/dbraw/zinc/43/57/54/790435754.db2.gz YHCWZSYJJKBIHO-ZJUUUORDSA-N 1 0 337.336 -1.616 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1)C(=O)NC(N)=O ZINC001186480001 790436495 /nfs/dbraw/zinc/43/64/95/790436495.db2.gz VEICZCIEDMMLOB-DTWKUNHWSA-N 1 0 346.351 -1.488 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1)C(=O)NC(N)=O ZINC001186480008 790436357 /nfs/dbraw/zinc/43/63/57/790436357.db2.gz VEICZCIEDMMLOB-RKDXNWHRSA-N 1 0 346.351 -1.488 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186480769 790436547 /nfs/dbraw/zinc/43/65/47/790436547.db2.gz DAECABFJUBUKLE-CHWSQXEVSA-N 1 0 343.424 -1.022 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186480770 790435654 /nfs/dbraw/zinc/43/56/54/790435654.db2.gz DAECABFJUBUKLE-OLZOCXBDSA-N 1 0 343.424 -1.022 20 0 EAADRO COC[C@@H](OC)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186480771 790436114 /nfs/dbraw/zinc/43/61/14/790436114.db2.gz DAECABFJUBUKLE-QWHCGFSZSA-N 1 0 343.424 -1.022 20 0 EAADRO COC[C@H](OC)C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186480772 790436169 /nfs/dbraw/zinc/43/61/69/790436169.db2.gz DAECABFJUBUKLE-STQMWFEESA-N 1 0 343.424 -1.022 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1)C(=O)N(C)C ZINC001186486541 790435814 /nfs/dbraw/zinc/43/58/14/790435814.db2.gz BFYYOQKJMBRBRE-NXEZZACHSA-N 1 0 338.368 -1.533 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1)C(=O)N(C)C ZINC001186486544 790436223 /nfs/dbraw/zinc/43/62/23/790436223.db2.gz BFYYOQKJMBRBRE-VHSXEESVSA-N 1 0 338.368 -1.533 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3ncccn3n2)C1 ZINC001186487242 790435727 /nfs/dbraw/zinc/43/57/27/790435727.db2.gz ITDTVRACKMNFCA-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3ncccn3n2)C1 ZINC001186487292 790436410 /nfs/dbraw/zinc/43/64/10/790436410.db2.gz IZSPNGULKAKWAO-SECBINFHSA-N 1 0 331.336 -1.272 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC12CCOCC2 ZINC001186493630 790435827 /nfs/dbraw/zinc/43/58/27/790435827.db2.gz DZINTVIBXOGTCW-TUAOUCFPSA-N 1 0 338.408 -1.562 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC12CCOCC2 ZINC001186493631 790436521 /nfs/dbraw/zinc/43/65/21/790436521.db2.gz DZINTVIBXOGTCW-UTUOFQBUSA-N 1 0 338.408 -1.562 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186503474 790437964 /nfs/dbraw/zinc/43/79/64/790437964.db2.gz HVCQSOJRVSHFJA-UPJWGTAASA-N 1 0 325.409 -1.055 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186503475 790438164 /nfs/dbraw/zinc/43/81/64/790438164.db2.gz HVCQSOJRVSHFJA-XQQFMLRXSA-N 1 0 325.409 -1.055 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC12CCOCC2 ZINC001186505604 790437834 /nfs/dbraw/zinc/43/78/34/790437834.db2.gz URFVARSCEGBGQZ-LLVKDONJSA-N 1 0 338.408 -1.418 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC12CCOCC2 ZINC001186505611 790438024 /nfs/dbraw/zinc/43/80/24/790438024.db2.gz URFVARSCEGBGQZ-NSHDSACASA-N 1 0 338.408 -1.418 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccnn2)C1)C(=O)N(C)C ZINC001186511346 790437861 /nfs/dbraw/zinc/43/78/61/790437861.db2.gz IHARRNBKSOJCRS-NWDGAFQWSA-N 1 0 348.407 -1.126 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccnn2)C1)C(=O)N(C)C ZINC001186511347 790437847 /nfs/dbraw/zinc/43/78/47/790437847.db2.gz IHARRNBKSOJCRS-VXGBXAGGSA-N 1 0 348.407 -1.126 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186511436 790438004 /nfs/dbraw/zinc/43/80/04/790438004.db2.gz DRGJAIWCTDFQTL-GFCCVEGCSA-N 1 0 340.424 -1.205 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186511437 790437546 /nfs/dbraw/zinc/43/75/46/790437546.db2.gz DRGJAIWCTDFQTL-LBPRGKRZSA-N 1 0 340.424 -1.205 20 0 EAADRO O=C(c1ncccn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001186512994 790438055 /nfs/dbraw/zinc/43/80/55/790438055.db2.gz SKPTWGNGJYHVPD-NEPJUHHUSA-N 1 0 347.375 -1.209 20 0 EAADRO O=C(c1ncccn1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001186512995 790437249 /nfs/dbraw/zinc/43/72/49/790437249.db2.gz SKPTWGNGJYHVPD-VXGBXAGGSA-N 1 0 347.375 -1.209 20 0 EAADRO O=C(c1cccnn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001186519634 790437403 /nfs/dbraw/zinc/43/74/03/790437403.db2.gz BHDJVWAZJAHUDA-NEPJUHHUSA-N 1 0 347.375 -1.209 20 0 EAADRO O=C(c1cccnn1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001186519635 790438135 /nfs/dbraw/zinc/43/81/35/790438135.db2.gz BHDJVWAZJAHUDA-VXGBXAGGSA-N 1 0 347.375 -1.209 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)n1 ZINC001186521005 790437513 /nfs/dbraw/zinc/43/75/13/790437513.db2.gz CFDRQDRRKZZHNT-LLVKDONJSA-N 1 0 336.396 -1.241 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)n1 ZINC001186521006 790437952 /nfs/dbraw/zinc/43/79/52/790437952.db2.gz CFDRQDRRKZZHNT-NSHDSACASA-N 1 0 336.396 -1.241 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncccn2)C1)C(=O)N(C)C ZINC001186530450 790437984 /nfs/dbraw/zinc/43/79/84/790437984.db2.gz BRSSVLDXZMNXMI-NWDGAFQWSA-N 1 0 348.407 -1.126 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncccn2)C1)C(=O)N(C)C ZINC001186530451 790437360 /nfs/dbraw/zinc/43/73/60/790437360.db2.gz BRSSVLDXZMNXMI-VXGBXAGGSA-N 1 0 348.407 -1.126 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186531442 790437555 /nfs/dbraw/zinc/43/75/55/790437555.db2.gz YVYWVGGFKMDDDN-CYBMUJFWSA-N 1 0 338.412 -1.100 20 0 EAADRO O=C(CCn1cnnn1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186531443 790438013 /nfs/dbraw/zinc/43/80/13/790438013.db2.gz YVYWVGGFKMDDDN-ZDUSSCGKSA-N 1 0 338.412 -1.100 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC12CCOCC2 ZINC001186536345 790438184 /nfs/dbraw/zinc/43/81/84/790438184.db2.gz FSAMWKAEFCVONB-LLVKDONJSA-N 1 0 336.396 -1.323 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC12CCOCC2 ZINC001186536346 790437914 /nfs/dbraw/zinc/43/79/14/790437914.db2.gz FSAMWKAEFCVONB-NSHDSACASA-N 1 0 336.396 -1.323 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001186544876 790439277 /nfs/dbraw/zinc/43/92/77/790439277.db2.gz DLFFFIUMJGAOFJ-GHMZBOCLSA-N 1 0 340.380 -1.063 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001186544879 790440016 /nfs/dbraw/zinc/44/00/16/790440016.db2.gz DLFFFIUMJGAOFJ-MNOVXSKESA-N 1 0 340.380 -1.063 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186545283 790439066 /nfs/dbraw/zinc/43/90/66/790439066.db2.gz IECRTCFWJSYFHT-LLVKDONJSA-N 1 0 340.380 -1.062 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CC12CCOCC2 ZINC001186552646 790439851 /nfs/dbraw/zinc/43/98/51/790439851.db2.gz JGIMDKPZCLFDBK-LLVKDONJSA-N 1 0 341.412 -1.625 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CC12CCOCC2 ZINC001186552653 790439425 /nfs/dbraw/zinc/43/94/25/790439425.db2.gz JGIMDKPZCLFDBK-NSHDSACASA-N 1 0 341.412 -1.625 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CC12CCOCC2 ZINC001186553357 790438106 /nfs/dbraw/zinc/43/81/06/790438106.db2.gz PBZAGWRKPZCISU-GFCCVEGCSA-N 1 0 336.396 -1.392 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CC12CCOCC2 ZINC001186553358 790437817 /nfs/dbraw/zinc/43/78/17/790437817.db2.gz PBZAGWRKPZCISU-LBPRGKRZSA-N 1 0 336.396 -1.392 20 0 EAADRO NC(=O)NCCC(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186553743 790437888 /nfs/dbraw/zinc/43/78/88/790437888.db2.gz UYGAUGQOHAVELO-GFCCVEGCSA-N 1 0 328.413 -1.118 20 0 EAADRO NC(=O)NCCC(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186553744 790437978 /nfs/dbraw/zinc/43/79/78/790437978.db2.gz UYGAUGQOHAVELO-LBPRGKRZSA-N 1 0 328.413 -1.118 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)Nc1cnccn1 ZINC001186554404 790438041 /nfs/dbraw/zinc/43/80/41/790438041.db2.gz DDQCCCKJMCWWBF-LLVKDONJSA-N 1 0 345.367 -1.318 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)NCC(F)(F)F ZINC001186555234 790437935 /nfs/dbraw/zinc/43/79/35/790437935.db2.gz MCLBHGNFQXBQEZ-SECBINFHSA-N 1 0 349.317 -1.068 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001186555296 790437882 /nfs/dbraw/zinc/43/78/82/790437882.db2.gz NXGNQRIZOUWAKU-CHWSQXEVSA-N 1 0 334.384 -1.489 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001186555297 790438051 /nfs/dbraw/zinc/43/80/51/790438051.db2.gz NXGNQRIZOUWAKU-OLZOCXBDSA-N 1 0 334.384 -1.489 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186555302 790437874 /nfs/dbraw/zinc/43/78/74/790437874.db2.gz OBYWVBXCEBJJSK-GFCCVEGCSA-N 1 0 339.400 -1.594 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186555303 790437438 /nfs/dbraw/zinc/43/74/38/790437438.db2.gz OEGTZDBYMFGWTD-SNVBAGLBSA-N 1 0 338.372 -1.901 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186555651 790437621 /nfs/dbraw/zinc/43/76/21/790437621.db2.gz SPXYGZYWGOHBNR-GFCCVEGCSA-N 1 0 339.400 -1.594 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC12CCOCC2 ZINC001186561024 790437957 /nfs/dbraw/zinc/43/79/57/790437957.db2.gz NVAFAQYAHBNWEJ-NEPJUHHUSA-N 1 0 338.408 -1.405 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC12CCOCC2 ZINC001186561025 790438170 /nfs/dbraw/zinc/43/81/70/790438170.db2.gz NVAFAQYAHBNWEJ-RYUDHWBXSA-N 1 0 338.408 -1.405 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186561470 790437502 /nfs/dbraw/zinc/43/75/02/790437502.db2.gz ZQACYBCEKUBGNQ-GFCCVEGCSA-N 1 0 349.453 -1.627 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186561471 790437597 /nfs/dbraw/zinc/43/75/97/790437597.db2.gz ZQACYBCEKUBGNQ-LBPRGKRZSA-N 1 0 349.453 -1.627 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)CS(C)(=O)=O ZINC001186561962 790437416 /nfs/dbraw/zinc/43/74/16/790437416.db2.gz CBPOFQAPECVQNY-NWDGAFQWSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)CS(C)(=O)=O ZINC001186561963 790438099 /nfs/dbraw/zinc/43/80/99/790438099.db2.gz CBPOFQAPECVQNY-VXGBXAGGSA-N 1 0 344.441 -1.066 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186561982 790438200 /nfs/dbraw/zinc/43/82/00/790438200.db2.gz DBIRRHJUIXSONC-LLVKDONJSA-N 1 0 345.429 -1.807 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186561990 790437274 /nfs/dbraw/zinc/43/72/74/790437274.db2.gz DMZOSLBBTUNHAZ-LLVKDONJSA-N 1 0 330.414 -1.312 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)S(C)(=O)=O ZINC001186562012 790438112 /nfs/dbraw/zinc/43/81/12/790438112.db2.gz FDSLAAJQONBMDE-LLVKDONJSA-N 1 0 345.429 -1.855 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186562252 790437483 /nfs/dbraw/zinc/43/74/83/790437483.db2.gz ITTGDMFWOBKCKK-NXEZZACHSA-N 1 0 338.372 -1.902 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186562254 790438062 /nfs/dbraw/zinc/43/80/62/790438062.db2.gz ITTGDMFWOBKCKK-VHSXEESVSA-N 1 0 338.372 -1.902 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)Nc1ccon1 ZINC001186562412 790437805 /nfs/dbraw/zinc/43/78/05/790437805.db2.gz NPCHDMIIEKQOOK-SNVBAGLBSA-N 1 0 334.340 -1.120 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186562828 790437996 /nfs/dbraw/zinc/43/79/96/790437996.db2.gz QDFRZKRZDCFEAZ-GFCCVEGCSA-N 1 0 338.416 -1.039 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186563236 790437184 /nfs/dbraw/zinc/43/71/84/790437184.db2.gz URICARNYXZRFQZ-CYBMUJFWSA-N 1 0 339.400 -1.594 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186563290 790437388 /nfs/dbraw/zinc/43/73/88/790437388.db2.gz WOJXQWCTOKIWLR-SNVBAGLBSA-N 1 0 331.402 -2.197 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186563343 790437743 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CCC[NH+]1C[C@@H]2CN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)C[C@H]2C1 ZINC001186599073 790443436 /nfs/dbraw/zinc/44/34/36/790443436.db2.gz LUPKTWSLGRGUIU-MCIONIFRSA-N 1 0 340.424 -1.600 20 0 EAADRO CCC[N@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)C[C@H]2C1 ZINC001186599074 790442790 /nfs/dbraw/zinc/44/27/90/790442790.db2.gz LUPKTWSLGRGUIU-MJBXVCDLSA-N 1 0 340.424 -1.600 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001186599395 790442968 /nfs/dbraw/zinc/44/29/68/790442968.db2.gz QITQJLGLDMOPCC-AAEUAGOBSA-N 1 0 342.396 -2.469 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCc2ccncc2)C1 ZINC001186601691 790444992 /nfs/dbraw/zinc/44/49/92/790444992.db2.gz PINGZNSIWNSBPB-GFCCVEGCSA-N 1 0 335.364 -1.016 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC12CC[NH+](CC1)CC2 ZINC001186602693 790444374 /nfs/dbraw/zinc/44/43/74/790444374.db2.gz CPKQQILMQVCDAA-LBPRGKRZSA-N 1 0 326.397 -1.798 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001186602832 790444151 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ZINC001186604026 790446400 /nfs/dbraw/zinc/44/64/00/790446400.db2.gz OIGHWLOJEWKNCR-ZDUSSCGKSA-N 1 0 328.413 -1.410 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001186604151 790446377 /nfs/dbraw/zinc/44/63/77/790446377.db2.gz PFPQENQZGFPFJJ-OLZOCXBDSA-N 1 0 328.413 -1.552 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001186604152 790445452 /nfs/dbraw/zinc/44/54/52/790445452.db2.gz PFPQENQZGFPFJJ-STQMWFEESA-N 1 0 328.413 -1.552 20 0 EAADRO COCCC1([NH3+])CCN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)CC1 ZINC001186606860 790445880 /nfs/dbraw/zinc/44/58/80/790445880.db2.gz CJIBUKWIEBQVRW-LBPRGKRZSA-N 1 0 344.412 -2.044 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001186607095 790446584 /nfs/dbraw/zinc/44/65/84/790446584.db2.gz DWCZRXHQGKSWQV-GJZGRUSLSA-N 1 0 348.403 -1.488 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001186607552 790445685 /nfs/dbraw/zinc/44/56/85/790445685.db2.gz MBDAPVKPQXJOBC-ZDUSSCGKSA-N 1 0 340.355 -1.269 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001186608448 790440988 /nfs/dbraw/zinc/44/09/88/790440988.db2.gz TUSHKUPTVOZLQE-RUXDESIVSA-N 1 0 342.440 -1.164 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001186608526 790441167 /nfs/dbraw/zinc/44/11/67/790441167.db2.gz VLQBLMQKXQBAPL-NSHDSACASA-N 1 0 330.385 -2.828 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001186608915 790441647 /nfs/dbraw/zinc/44/16/47/790441647.db2.gz XPXBYGPKXQWJSZ-BNOWGMLFSA-N 1 0 342.440 -1.165 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001186608919 790440899 /nfs/dbraw/zinc/44/08/99/790440899.db2.gz XPXBYGPKXQWJSZ-UBHSHLNASA-N 1 0 342.440 -1.165 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001186608921 790441669 /nfs/dbraw/zinc/44/16/69/790441669.db2.gz XPXBYGPKXQWJSZ-XBFCOCLRSA-N 1 0 342.440 -1.165 20 0 EAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001186608923 790441608 /nfs/dbraw/zinc/44/16/08/790441608.db2.gz XPXBYGPKXQWJSZ-YUTCNCBUSA-N 1 0 342.440 -1.165 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC3CC3)nn2)C1 ZINC001186622482 790441021 /nfs/dbraw/zinc/44/10/21/790441021.db2.gz MCVMCWKXQYJGGS-SNVBAGLBSA-N 1 0 335.368 -1.313 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC3CC3)nn2)C1 ZINC001186622483 790441305 /nfs/dbraw/zinc/44/13/05/790441305.db2.gz MFWSXHMZWFFHOL-LLVKDONJSA-N 1 0 349.395 -1.052 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC001186625125 790441487 /nfs/dbraw/zinc/44/14/87/790441487.db2.gz GHQSYXSXVPJLPV-DCAQKATOSA-N 1 0 343.428 -1.802 20 0 EAADRO COCCC(=O)N1CC[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001186630068 790441820 /nfs/dbraw/zinc/44/18/20/790441820.db2.gz MQUYTRIAOOMLLF-QWHCGFSZSA-N 1 0 338.408 -1.486 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 ZINC001186636034 790447900 /nfs/dbraw/zinc/44/79/00/790447900.db2.gz NTDJFFDMLRBWKN-GMOBBJLQSA-N 1 0 341.412 -2.002 20 0 EAADRO CCCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)nn1 ZINC001186638010 790447273 /nfs/dbraw/zinc/44/72/73/790447273.db2.gz NZVJPZCCZHMXSL-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186645927 790448131 /nfs/dbraw/zinc/44/81/31/790448131.db2.gz AIZJYFJIFAPPNW-BDAKNGLRSA-N 1 0 327.303 -1.137 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186645930 790448278 /nfs/dbraw/zinc/44/82/78/790448278.db2.gz AIZJYFJIFAPPNW-RKDXNWHRSA-N 1 0 327.303 -1.137 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001186646020 790447863 /nfs/dbraw/zinc/44/78/63/790447863.db2.gz DWSLJQPLCLSNOR-KGLIPLIRSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001186646021 790448017 /nfs/dbraw/zinc/44/80/17/790448017.db2.gz DWSLJQPLCLSNOR-ZIAGYGMSSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C(NCC(F)(F)F)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186646304 790447073 /nfs/dbraw/zinc/44/70/73/790447073.db2.gz HZTBDXJYJDFXAD-SECBINFHSA-N 1 0 327.303 -1.136 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186646587 790448382 /nfs/dbraw/zinc/44/83/82/790448382.db2.gz MWEPLSHPCWOXOF-MRVPVSSYSA-N 1 0 345.343 -1.100 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186647037 790447511 /nfs/dbraw/zinc/44/75/11/790447511.db2.gz ZIWPZMQGIPQDFN-ZCFIWIBFSA-N 1 0 339.274 -1.950 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186652265 790447980 /nfs/dbraw/zinc/44/79/80/790447980.db2.gz CMWVXAGKXRPDOZ-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186652374 790448103 /nfs/dbraw/zinc/44/81/03/790448103.db2.gz GIJBHMJWWCOCEF-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)N1CCOCC1 ZINC001186652776 790448476 /nfs/dbraw/zinc/44/84/76/790448476.db2.gz RMDLXNMUKBKWOP-CYBMUJFWSA-N 1 0 338.408 -1.438 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186653056 790447837 /nfs/dbraw/zinc/44/78/37/790447837.db2.gz WVNGVQMFSBXDFA-SNVBAGLBSA-N 1 0 325.369 -1.841 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186653065 790448257 /nfs/dbraw/zinc/44/82/57/790448257.db2.gz XHACXQSXNTWVPO-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186659731 790447971 /nfs/dbraw/zinc/44/79/71/790447971.db2.gz GKVBCGBLRHQXCT-KGLIPLIRSA-N 1 0 343.424 -1.273 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186659732 790447892 /nfs/dbraw/zinc/44/78/92/790447892.db2.gz GKVBCGBLRHQXCT-ZIAGYGMSSA-N 1 0 343.424 -1.273 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)S(C)(=O)=O ZINC001186659753 790447816 /nfs/dbraw/zinc/44/78/16/790447816.db2.gz HLISMDSXKQGHLX-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186660008 790447961 /nfs/dbraw/zinc/44/79/61/790447961.db2.gz JRVBLMWQKFRGLK-CQSZACIVSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186665189 790446324 /nfs/dbraw/zinc/44/63/24/790446324.db2.gz BMFPVQJEAMDXSR-GXSJLCMTSA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186665191 790446155 /nfs/dbraw/zinc/44/61/55/790446155.db2.gz BMFPVQJEAMDXSR-MWLCHTKSSA-N 1 0 339.396 -1.453 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186665321 790445777 /nfs/dbraw/zinc/44/57/77/790445777.db2.gz GNHMHZCUKDJNTL-LLVKDONJSA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)C(=O)NC(N)=O ZINC001186665441 790445626 /nfs/dbraw/zinc/44/56/26/790445626.db2.gz HQNFFGKBZMSPFY-PSASIEDQSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)C(=O)NC(N)=O ZINC001186665442 790445985 /nfs/dbraw/zinc/44/59/85/790445985.db2.gz HQNFFGKBZMSPFY-WCBMZHEXSA-N 1 0 325.369 -1.714 20 0 EAADRO CCn1cc(C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)nn1 ZINC001186665534 790446412 /nfs/dbraw/zinc/44/64/12/790446412.db2.gz LCJKGCZRTWCVKY-LLVKDONJSA-N 1 0 344.441 -1.007 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 ZINC001186665700 790445929 /nfs/dbraw/zinc/44/59/29/790445929.db2.gz NDZKPDZAUIEXLF-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186665763 790446194 /nfs/dbraw/zinc/44/61/94/790446194.db2.gz OTAZAFDGIXAMBF-LLVKDONJSA-N 1 0 337.380 -1.745 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186666239 790446428 /nfs/dbraw/zinc/44/64/28/790446428.db2.gz WVYCQSCEIMAYJV-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001186666249 790446345 /nfs/dbraw/zinc/44/63/45/790446345.db2.gz XHLWGFZMNWZWDB-GFCCVEGCSA-N 1 0 336.392 -1.148 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001186671027 790445496 /nfs/dbraw/zinc/44/54/96/790445496.db2.gz HTYSBNNFTZSPAM-QWHCGFSZSA-N 1 0 336.392 -1.196 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001186671236 790446103 /nfs/dbraw/zinc/44/61/03/790446103.db2.gz QLCOAYUJIKIDPK-RRFJBIMHSA-N 1 0 335.408 -1.087 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001186671237 790445825 /nfs/dbraw/zinc/44/58/25/790445825.db2.gz QLCOAYUJIKIDPK-SOUVJXGZSA-N 1 0 335.408 -1.087 20 0 EAADRO CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C2)nn1 ZINC001186671313 790446654 /nfs/dbraw/zinc/44/66/54/790446654.db2.gz BWNHLUKYIPPEHS-NXEZZACHSA-N 1 0 337.384 -1.054 20 0 EAADRO CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C2)nn1 ZINC001186671314 790445849 /nfs/dbraw/zinc/44/58/49/790445849.db2.gz BWNHLUKYIPPEHS-VHSXEESVSA-N 1 0 337.384 -1.054 20 0 EAADRO COCc1nc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)co1 ZINC001186671360 790445906 /nfs/dbraw/zinc/44/59/06/790445906.db2.gz DFYPUYBPTCXGKM-MRVPVSSYSA-N 1 0 325.325 -1.180 20 0 EAADRO C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186671370 790446037 /nfs/dbraw/zinc/44/60/37/790446037.db2.gz DKWZJBUHCZTRIF-CMPLNLGQSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186671371 790446260 /nfs/dbraw/zinc/44/62/60/790446260.db2.gz DKWZJBUHCZTRIF-ZYHUDNBSSA-N 1 0 336.396 -1.016 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001186671791 790445552 /nfs/dbraw/zinc/44/55/52/790445552.db2.gz LTRYRIQYWMISFH-NWDGAFQWSA-N 1 0 336.396 -1.135 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001186671802 790448504 /nfs/dbraw/zinc/44/85/04/790448504.db2.gz LTRYRIQYWMISFH-VXGBXAGGSA-N 1 0 336.396 -1.135 20 0 EAADRO CCn1cc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nn1 ZINC001186672267 790448081 /nfs/dbraw/zinc/44/80/81/790448081.db2.gz VCYCHYRALQWFAK-SNVBAGLBSA-N 1 0 330.414 -1.349 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001186673354 790449619 /nfs/dbraw/zinc/44/96/19/790449619.db2.gz CRKIIUCYARTFGJ-SNVBAGLBSA-N 1 0 336.352 -1.981 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001186673670 790449224 /nfs/dbraw/zinc/44/92/24/790449224.db2.gz SIZOKUGDNZXHHG-GFCCVEGCSA-N 1 0 342.421 -1.132 20 0 EAADRO CS(=O)(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001186679401 790449638 /nfs/dbraw/zinc/44/96/38/790449638.db2.gz KZASSKVBASKDNG-SECBINFHSA-N 1 0 346.409 -1.661 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186690403 790448516 /nfs/dbraw/zinc/44/85/16/790448516.db2.gz GDKODJUMZARPTN-SECBINFHSA-N 1 0 339.356 -2.283 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186690750 790448339 /nfs/dbraw/zinc/44/83/39/790448339.db2.gz KQUFBYLJISBAEY-GFCCVEGCSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001186691839 790447485 /nfs/dbraw/zinc/44/74/85/790447485.db2.gz UUINGKJVGLHYCX-LLVKDONJSA-N 1 0 345.425 -1.433 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186692086 790447101 /nfs/dbraw/zinc/44/71/01/790447101.db2.gz WHAPQYVOIHIWRU-GFCCVEGCSA-N 1 0 336.396 -1.246 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001186692112 790447924 /nfs/dbraw/zinc/44/79/24/790447924.db2.gz WWZSVEFIOPMMPE-LLVKDONJSA-N 1 0 334.384 -1.149 20 0 EAADRO COC[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001186692142 790448351 /nfs/dbraw/zinc/44/83/51/790448351.db2.gz XTIFLMWEXUSLPN-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO COC[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001186692144 790448171 /nfs/dbraw/zinc/44/81/71/790448171.db2.gz XTIFLMWEXUSLPN-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001186693623 790447185 /nfs/dbraw/zinc/44/71/85/790447185.db2.gz QTTMMRKIAIVPCQ-QWHCGFSZSA-N 1 0 346.453 -1.453 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nonc2C)C1 ZINC001186695000 790448437 /nfs/dbraw/zinc/44/84/37/790448437.db2.gz AETMUZKHIXWVSS-SNVBAGLBSA-N 1 0 338.368 -1.043 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186695026 790446980 /nfs/dbraw/zinc/44/69/80/790446980.db2.gz BSECYAKNIPVILM-GFCCVEGCSA-N 1 0 344.441 -1.250 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2nonc2C)C1 ZINC001186695039 790447453 /nfs/dbraw/zinc/44/74/53/790447453.db2.gz CODPDMAQYKRWHD-NXEZZACHSA-N 1 0 338.368 -1.045 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2nonc2C)C1 ZINC001186695040 790447430 /nfs/dbraw/zinc/44/74/30/790447430.db2.gz CODPDMAQYKRWHD-VHSXEESVSA-N 1 0 338.368 -1.045 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001186695096 790448036 /nfs/dbraw/zinc/44/80/36/790448036.db2.gz FTQNAMKRGHWMNP-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001186695097 790447684 /nfs/dbraw/zinc/44/76/84/790447684.db2.gz FTQNAMKRGHWMNP-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO Cc1nonc1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001186695128 790447695 /nfs/dbraw/zinc/44/76/95/790447695.db2.gz HDFYMHKYQLLMHF-SNVBAGLBSA-N 1 0 331.398 -1.340 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001186695221 790448021 /nfs/dbraw/zinc/44/80/21/790448021.db2.gz LHDZWWAHFGOIDP-GHMZBOCLSA-N 1 0 334.442 -1.407 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001186695222 790447877 /nfs/dbraw/zinc/44/78/77/790447877.db2.gz LHDZWWAHFGOIDP-WDEREUQCSA-N 1 0 334.442 -1.407 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1)C(N)=O ZINC001186695240 790447035 /nfs/dbraw/zinc/44/70/35/790447035.db2.gz LWURFSUBEUGEBR-GHMZBOCLSA-N 1 0 334.442 -1.278 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1)C(N)=O ZINC001186695241 790448046 /nfs/dbraw/zinc/44/80/46/790448046.db2.gz LWURFSUBEUGEBR-MNOVXSKESA-N 1 0 334.442 -1.278 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001186695260 790448406 /nfs/dbraw/zinc/44/84/06/790448406.db2.gz MUNQOMLTGNOXHL-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001186695296 790448230 /nfs/dbraw/zinc/44/82/30/790448230.db2.gz OKRJGGIEORCLNR-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186695299 790447014 /nfs/dbraw/zinc/44/70/14/790447014.db2.gz OPABRSDKQJJXPK-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186695300 790447940 /nfs/dbraw/zinc/44/79/40/790447940.db2.gz OPABRSDKQJJXPK-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186695303 790447602 /nfs/dbraw/zinc/44/76/02/790447602.db2.gz OTOGBMHIFBZMFD-SECBINFHSA-N 1 0 349.413 -2.347 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186695316 790447293 /nfs/dbraw/zinc/44/72/93/790447293.db2.gz PAEVWFKXGWNGTQ-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186695364 790448185 /nfs/dbraw/zinc/44/81/85/790448185.db2.gz SCDAQTHTQQEZQX-LLVKDONJSA-N 1 0 334.442 -1.453 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186695382 790448393 /nfs/dbraw/zinc/44/83/93/790448393.db2.gz SZRPSTBNNNRBMH-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186695383 790448315 /nfs/dbraw/zinc/44/83/15/790448315.db2.gz SZRPSTBNNNRBMH-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001186695385 790448359 /nfs/dbraw/zinc/44/83/59/790448359.db2.gz TVJTWCBTKBXZRS-LLVKDONJSA-N 1 0 344.441 -1.213 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001186695470 790448001 /nfs/dbraw/zinc/44/80/01/790448001.db2.gz XLIYDIPKEHTHIC-NWDGAFQWSA-N 1 0 348.469 -1.065 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001186695471 790447148 /nfs/dbraw/zinc/44/71/48/790447148.db2.gz XLIYDIPKEHTHIC-VXGBXAGGSA-N 1 0 348.469 -1.065 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001186695495 790450103 /nfs/dbraw/zinc/45/01/03/790450103.db2.gz YVJKMLWGJXQRHF-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001186695498 790449677 /nfs/dbraw/zinc/44/96/77/790449677.db2.gz YZQJPSIFMHWISI-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001186695499 790449858 /nfs/dbraw/zinc/44/98/58/790449858.db2.gz YZQJPSIFMHWISI-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186695501 790450591 /nfs/dbraw/zinc/45/05/91/790450591.db2.gz ZCBTVMNSLCSFQA-GFCCVEGCSA-N 1 0 337.442 -1.533 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186703120 790451065 /nfs/dbraw/zinc/45/10/65/790451065.db2.gz CQRAEGWESGLGDP-GFCCVEGCSA-N 1 0 334.384 -1.186 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)COCc3ncnn3C)C2)C1=O ZINC001186703308 790449962 /nfs/dbraw/zinc/44/99/62/790449962.db2.gz IDIJGNXOQWHFHJ-NEPJUHHUSA-N 1 0 336.396 -1.247 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)COCc3ncnn3C)C2)C1=O ZINC001186703309 790450138 /nfs/dbraw/zinc/45/01/38/790450138.db2.gz IDIJGNXOQWHFHJ-VXGBXAGGSA-N 1 0 336.396 -1.247 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1)C(=O)N(C)C ZINC001186703334 790449243 /nfs/dbraw/zinc/44/92/43/790449243.db2.gz IWSZQSWFCRRXHR-NWDGAFQWSA-N 1 0 338.412 -1.001 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1)C(=O)N(C)C ZINC001186703335 790450284 /nfs/dbraw/zinc/45/02/84/790450284.db2.gz IWSZQSWFCRRXHR-VXGBXAGGSA-N 1 0 338.412 -1.001 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186703345 790449299 /nfs/dbraw/zinc/44/92/99/790449299.db2.gz JFPZFADEDGTIBN-GFCCVEGCSA-N 1 0 327.385 -1.469 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1 ZINC001186703648 790449291 /nfs/dbraw/zinc/44/92/91/790449291.db2.gz OBADWGTUJQCPSC-NEPJUHHUSA-N 1 0 327.385 -1.471 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1 ZINC001186703649 790450581 /nfs/dbraw/zinc/45/05/81/790450581.db2.gz OBADWGTUJQCPSC-VXGBXAGGSA-N 1 0 327.385 -1.471 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186703853 790450773 /nfs/dbraw/zinc/45/07/73/790450773.db2.gz SALNPERYIFPBIE-SECBINFHSA-N 1 0 339.356 -2.283 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001186705009 790449978 /nfs/dbraw/zinc/44/99/78/790449978.db2.gz GGNULKFITBAWAO-NWDGAFQWSA-N 1 0 337.380 -1.793 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001186705369 790449790 /nfs/dbraw/zinc/44/97/90/790449790.db2.gz KZLVKTGTJANAEL-LSDHHAIUSA-N 1 0 340.424 -1.192 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001186705816 790450972 /nfs/dbraw/zinc/45/09/72/790450972.db2.gz QMEUXFSEDUBQSA-RRFJBIMHSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001186705818 790450423 /nfs/dbraw/zinc/45/04/23/790450423.db2.gz QMEUXFSEDUBQSA-SOUVJXGZSA-N 1 0 343.424 -1.321 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001186710576 790451120 /nfs/dbraw/zinc/45/11/20/790451120.db2.gz HISKWYHWCUAZKW-GFCCVEGCSA-N 1 0 348.469 -1.063 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186710867 790450190 /nfs/dbraw/zinc/45/01/90/790450190.db2.gz JZYTYRWFBOMQTE-GFCCVEGCSA-N 1 0 346.453 -1.309 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186717105 790449555 /nfs/dbraw/zinc/44/95/55/790449555.db2.gz BAIFGWVGVBJXQZ-GFCCVEGCSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186717262 790449157 /nfs/dbraw/zinc/44/91/57/790449157.db2.gz DNVNLYVKXWDUGX-GFCCVEGCSA-N 1 0 336.396 -1.246 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001186717412 790450528 /nfs/dbraw/zinc/45/05/28/790450528.db2.gz GPRQKQSTAMXROC-NEPJUHHUSA-N 1 0 336.396 -1.247 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001186717413 790450795 /nfs/dbraw/zinc/45/07/95/790450795.db2.gz GPRQKQSTAMXROC-VXGBXAGGSA-N 1 0 336.396 -1.247 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1 ZINC001186717439 790450851 /nfs/dbraw/zinc/45/08/51/790450851.db2.gz HFPADGWDTJIWSU-LLVKDONJSA-N 1 0 334.384 -1.149 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001186717497 790451080 /nfs/dbraw/zinc/45/10/80/790451080.db2.gz JHDWVWYLGKBWMA-LLVKDONJSA-N 1 0 345.425 -1.433 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001186717515 790450762 /nfs/dbraw/zinc/45/07/62/790450762.db2.gz JZEZLKZDUZPKHL-NEPJUHHUSA-N 1 0 327.385 -1.471 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001186717516 790450993 /nfs/dbraw/zinc/45/09/93/790450993.db2.gz JZEZLKZDUZPKHL-VXGBXAGGSA-N 1 0 327.385 -1.471 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186717788 790452682 /nfs/dbraw/zinc/45/26/82/790452682.db2.gz MDWPYUHYTUKBFL-GFCCVEGCSA-N 1 0 334.384 -1.186 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1)C(=O)N(C)C ZINC001186718218 790452716 /nfs/dbraw/zinc/45/27/16/790452716.db2.gz QYECVEWNOZELDA-NWDGAFQWSA-N 1 0 338.412 -1.001 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1)C(=O)N(C)C ZINC001186718219 790452398 /nfs/dbraw/zinc/45/23/98/790452398.db2.gz QYECVEWNOZELDA-VXGBXAGGSA-N 1 0 338.412 -1.001 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186718542 790452149 /nfs/dbraw/zinc/45/21/49/790452149.db2.gz YAUDEQZTDUFYSW-GFCCVEGCSA-N 1 0 327.385 -1.469 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186718606 790453051 /nfs/dbraw/zinc/45/30/51/790453051.db2.gz ZUOMTKKBOKNOMV-NEPJUHHUSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186718608 790451527 /nfs/dbraw/zinc/45/15/27/790451527.db2.gz ZUOMTKKBOKNOMV-VXGBXAGGSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186725852 790452181 /nfs/dbraw/zinc/45/21/81/790452181.db2.gz ZKPJFQQMULWXTP-NEPJUHHUSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186725854 790452063 /nfs/dbraw/zinc/45/20/63/790452063.db2.gz ZKPJFQQMULWXTP-VXGBXAGGSA-N 1 0 336.396 -1.199 20 0 EAADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001186726906 790451704 /nfs/dbraw/zinc/45/17/04/790451704.db2.gz AXYMWYOHWVRIMN-RKDXNWHRSA-N 1 0 348.360 -1.893 20 0 EAADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O ZINC001186726922 790452255 /nfs/dbraw/zinc/45/22/55/790452255.db2.gz BQBDWLAIDOIODR-NXEZZACHSA-N 1 0 331.369 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc(OC)nc2)C1 ZINC001186754479 790449716 /nfs/dbraw/zinc/44/97/16/790449716.db2.gz HXCCSPJTQQBKFF-SNVBAGLBSA-N 1 0 336.352 -1.255 20 0 EAADRO COc1ncc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)cn1 ZINC001186755060 790450739 /nfs/dbraw/zinc/45/07/39/790450739.db2.gz SHDPQEFUCGDHJF-LLVKDONJSA-N 1 0 343.409 -1.162 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001186756073 790450631 /nfs/dbraw/zinc/45/06/31/790450631.db2.gz FRIJYHKHQPBBQX-WDEREUQCSA-N 1 0 337.380 -1.664 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001186756922 790450984 /nfs/dbraw/zinc/45/09/84/790450984.db2.gz XAXZTHZWHMDADH-RWMBFGLXSA-N 1 0 336.396 -1.555 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001186756923 790449417 /nfs/dbraw/zinc/44/94/17/790449417.db2.gz XAXZTHZWHMDADH-YNEHKIRRSA-N 1 0 336.396 -1.555 20 0 EAADRO COc1ncc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)cn1 ZINC001186762206 790450888 /nfs/dbraw/zinc/45/08/88/790450888.db2.gz MHVBVMVUEBGASB-PSASIEDQSA-N 1 0 336.352 -1.127 20 0 EAADRO COc1ncc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)cn1 ZINC001186762208 790450709 /nfs/dbraw/zinc/45/07/09/790450709.db2.gz MHVBVMVUEBGASB-WCBMZHEXSA-N 1 0 336.352 -1.127 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001186762418 790450669 /nfs/dbraw/zinc/45/06/69/790450669.db2.gz PSDVMOGDAQLCPZ-SNVBAGLBSA-N 1 0 335.364 -1.057 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1)C(=O)N(C)C ZINC001186777031 790452480 /nfs/dbraw/zinc/45/24/80/790452480.db2.gz OBJWRODQUXYTHK-JHJVBQTASA-N 1 0 340.424 -1.194 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1)C(=O)N(C)C ZINC001186777032 790452749 /nfs/dbraw/zinc/45/27/49/790452749.db2.gz OBJWRODQUXYTHK-YNEHKIRRSA-N 1 0 340.424 -1.194 20 0 EAADRO O=C([C@@H]1CCOC1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001186777414 790452562 /nfs/dbraw/zinc/45/25/62/790452562.db2.gz YHFMAPFUCDATON-JHJVBQTASA-N 1 0 339.392 -1.277 20 0 EAADRO O=C([C@@H]1CCOC1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001186777415 790451778 /nfs/dbraw/zinc/45/17/78/790451778.db2.gz YHFMAPFUCDATON-UPJWGTAASA-N 1 0 339.392 -1.277 20 0 EAADRO C[NH+]1CCN(CCCS(=O)(=O)NCCN2C(=O)CNC2=O)CC1 ZINC001186779173 790452919 /nfs/dbraw/zinc/45/29/19/790452919.db2.gz ICAAHFJFRCLCMN-UHFFFAOYSA-N 1 0 347.441 -1.905 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186789580 790451824 /nfs/dbraw/zinc/45/18/24/790451824.db2.gz ANHHVBGLFXBMQU-NXEZZACHSA-N 1 0 339.396 -1.358 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186789581 790452455 /nfs/dbraw/zinc/45/24/55/790452455.db2.gz ANHHVBGLFXBMQU-VHSXEESVSA-N 1 0 339.396 -1.358 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186789626 790452420 /nfs/dbraw/zinc/45/24/20/790452420.db2.gz CQACVWTVXCUMNE-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186790127 790451550 /nfs/dbraw/zinc/45/15/50/790451550.db2.gz HOIAZWJBPLTQNJ-GHMZBOCLSA-N 1 0 342.396 -1.485 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186790135 790451903 /nfs/dbraw/zinc/45/19/03/790451903.db2.gz HOIAZWJBPLTQNJ-MNOVXSKESA-N 1 0 342.396 -1.485 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186790311 790451723 /nfs/dbraw/zinc/45/17/23/790451723.db2.gz KHYKEMJKWYXFDM-SNVBAGLBSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186790846 790452808 /nfs/dbraw/zinc/45/28/08/790452808.db2.gz ONNJPIDBEHNNFE-SECBINFHSA-N 1 0 325.369 -1.747 20 0 EAADRO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186791393 790452553 /nfs/dbraw/zinc/45/25/53/790452553.db2.gz TWPYTCNYHUNFMA-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(OC)nn2)C1 ZINC001186799529 790453823 /nfs/dbraw/zinc/45/38/23/790453823.db2.gz MCKICFVHMDLUJB-SECBINFHSA-N 1 0 336.352 -1.255 20 0 EAADRO COc1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001186799942 790452214 /nfs/dbraw/zinc/45/22/14/790452214.db2.gz VEGFENYEORJDAG-DTWKUNHWSA-N 1 0 336.352 -1.127 20 0 EAADRO COc1ccc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001186799943 790452365 /nfs/dbraw/zinc/45/23/65/790452365.db2.gz VEGFENYEORJDAG-RKDXNWHRSA-N 1 0 336.352 -1.127 20 0 EAADRO COc1ccc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nn1 ZINC001186799966 790452736 /nfs/dbraw/zinc/45/27/36/790452736.db2.gz WJDHNBQZAGPODG-SNVBAGLBSA-N 1 0 343.409 -1.162 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186802756 790451674 /nfs/dbraw/zinc/45/16/74/790451674.db2.gz DKONNYIFTPNMHK-RWMBFGLXSA-N 1 0 344.412 -1.789 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186802757 790452122 /nfs/dbraw/zinc/45/21/22/790452122.db2.gz DKONNYIFTPNMHK-YNEHKIRRSA-N 1 0 344.412 -1.789 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186802769 790452940 /nfs/dbraw/zinc/45/29/40/790452940.db2.gz FAPFEKIIHFOGES-QWHCGFSZSA-N 1 0 341.412 -1.660 20 0 EAADRO CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1)S(C)(=O)=O ZINC001186804835 790452972 /nfs/dbraw/zinc/45/29/72/790452972.db2.gz XATYKGWBHNVGNN-WDEREUQCSA-N 1 0 347.441 -1.921 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001186812467 790454312 /nfs/dbraw/zinc/45/43/12/790454312.db2.gz RBAWLRWNYANLDB-QJPTWQEYSA-N 1 0 333.396 -1.034 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001186812470 790454119 /nfs/dbraw/zinc/45/41/19/790454119.db2.gz RBAWLRWNYANLDB-SDDRHHMPSA-N 1 0 333.396 -1.034 20 0 EAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186812932 790455005 /nfs/dbraw/zinc/45/50/05/790455005.db2.gz SZAUKVUPYKXCMR-NWDGAFQWSA-N 1 0 340.428 -1.105 20 0 EAADRO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001186813396 790454338 /nfs/dbraw/zinc/45/43/38/790454338.db2.gz YWZMCBPLEWHDKA-VHSXEESVSA-N 1 0 338.368 -2.261 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001186820387 790454971 /nfs/dbraw/zinc/45/49/71/790454971.db2.gz ZSUDISXKQQYXEA-QWHCGFSZSA-N 1 0 333.396 -1.268 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1)NC1CC1 ZINC001186841771 790454993 /nfs/dbraw/zinc/45/49/93/790454993.db2.gz DOHWUUHBCAIYNJ-LLVKDONJSA-N 1 0 337.380 -1.603 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186842204 790454362 /nfs/dbraw/zinc/45/43/62/790454362.db2.gz GSSASOGMMFGORH-NXEZZACHSA-N 1 0 325.369 -1.747 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186842205 790454516 /nfs/dbraw/zinc/45/45/16/790454516.db2.gz GSSASOGMMFGORH-VHSXEESVSA-N 1 0 325.369 -1.747 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186842249 790454324 /nfs/dbraw/zinc/45/43/24/790454324.db2.gz IKKUVMPZZIFIDX-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186842689 790455075 /nfs/dbraw/zinc/45/50/75/790455075.db2.gz KFGPAKKRRGFPPN-GHMZBOCLSA-N 1 0 328.369 -1.874 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186842690 790454428 /nfs/dbraw/zinc/45/44/28/790454428.db2.gz KFGPAKKRRGFPPN-MNOVXSKESA-N 1 0 328.369 -1.874 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186842697 790454595 /nfs/dbraw/zinc/45/45/95/790454595.db2.gz KIWMBYRTLJSBRK-MRVPVSSYSA-N 1 0 340.340 -2.686 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186842803 790455349 /nfs/dbraw/zinc/45/53/49/790455349.db2.gz NTRCRIGPRHHHLE-LLVKDONJSA-N 1 0 339.396 -1.357 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186843037 790454894 /nfs/dbraw/zinc/45/48/94/790454894.db2.gz NXAREDGEXRPRPH-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186843104 790455056 /nfs/dbraw/zinc/45/50/56/790455056.db2.gz PUUJPGHPKMJQPV-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186843152 790454847 /nfs/dbraw/zinc/45/48/47/790454847.db2.gz REYOPRPGYIXCMY-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186843314 790454953 /nfs/dbraw/zinc/45/49/53/790454953.db2.gz RYLQSXVYRQTDHO-SNVBAGLBSA-N 1 0 346.409 -1.837 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186843370 790454643 /nfs/dbraw/zinc/45/46/43/790454643.db2.gz WGJXXLZJYPQHEY-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186843391 790454378 /nfs/dbraw/zinc/45/43/78/790454378.db2.gz XRDBQRRMYCQIEF-LLVKDONJSA-N 1 0 328.369 -1.872 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001186852831 790455329 /nfs/dbraw/zinc/45/53/29/790455329.db2.gz JAWRQMJPYUACQN-LLVKDONJSA-N 1 0 337.384 -1.296 20 0 EAADRO O=C(CCCn1cncn1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186852853 790454140 /nfs/dbraw/zinc/45/41/40/790454140.db2.gz KGVMGVUKTGNLOX-GFCCVEGCSA-N 1 0 349.395 -1.199 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001186853184 790454618 /nfs/dbraw/zinc/45/46/18/790454618.db2.gz PBJKKBQESUOMOR-GFCCVEGCSA-N 1 0 344.441 -1.202 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCn2cncn2)C1)C(=O)NC(N)=O ZINC001186854127 790454921 /nfs/dbraw/zinc/45/49/21/790454921.db2.gz WAIVFKOBQDVIER-GHMZBOCLSA-N 1 0 337.384 -1.168 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCn2cncn2)C1)C(=O)NC(N)=O ZINC001186854128 790455308 /nfs/dbraw/zinc/45/53/08/790455308.db2.gz WAIVFKOBQDVIER-WDEREUQCSA-N 1 0 337.384 -1.168 20 0 EAADRO CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186861205 790456270 /nfs/dbraw/zinc/45/62/70/790456270.db2.gz DBZQIQYQWAQGRA-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186861206 790457056 /nfs/dbraw/zinc/45/70/56/790457056.db2.gz DBZQIQYQWAQGRA-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2cscn2)C1 ZINC001186861848 790457159 /nfs/dbraw/zinc/45/71/59/790457159.db2.gz IZMUZYHUPMHPNC-SECBINFHSA-N 1 0 325.394 -1.191 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001186861859 790456485 /nfs/dbraw/zinc/45/64/85/790456485.db2.gz JBEMXRIVYCYTBU-LLVKDONJSA-N 1 0 336.396 -1.682 20 0 EAADRO CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186862372 790457463 /nfs/dbraw/zinc/45/74/63/790457463.db2.gz UXLQFJOABMBZLX-ABAIWWIYSA-N 1 0 339.396 -1.370 20 0 EAADRO CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186862373 790456121 /nfs/dbraw/zinc/45/61/21/790456121.db2.gz UXLQFJOABMBZLX-IAQYHMDHSA-N 1 0 339.396 -1.370 20 0 EAADRO O=C(CNC(=O)c1cscn1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186870923 790454830 /nfs/dbraw/zinc/45/48/30/790454830.db2.gz NXCIVHXFDYMIJZ-NXEZZACHSA-N 1 0 337.405 -1.048 20 0 EAADRO O=C(CNC(=O)c1cscn1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186870924 790454484 /nfs/dbraw/zinc/45/44/84/790454484.db2.gz NXCIVHXFDYMIJZ-ZJUUUORDSA-N 1 0 337.405 -1.048 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001186870926 790454086 /nfs/dbraw/zinc/45/40/86/790454086.db2.gz NYAHVROBUNUAOH-NXEZZACHSA-N 1 0 334.380 -1.100 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001186870927 790454227 /nfs/dbraw/zinc/45/42/27/790454227.db2.gz NYAHVROBUNUAOH-VHSXEESVSA-N 1 0 334.380 -1.100 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)c2cscn2)C1)C(N)=O ZINC001186870965 790454391 /nfs/dbraw/zinc/45/43/91/790454391.db2.gz PHJVZWZYOOLKOB-DTWKUNHWSA-N 1 0 325.394 -1.063 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)c2cscn2)C1)C(N)=O ZINC001186870966 790455116 /nfs/dbraw/zinc/45/51/16/790455116.db2.gz PHJVZWZYOOLKOB-RKDXNWHRSA-N 1 0 325.394 -1.063 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1)C(=O)N(C)C ZINC001186871087 790453737 /nfs/dbraw/zinc/45/37/37/790453737.db2.gz UZODJBQEPCHQCF-GHMZBOCLSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1)C(=O)N(C)C ZINC001186871088 790453978 /nfs/dbraw/zinc/45/39/78/790453978.db2.gz UZODJBQEPCHQCF-WDEREUQCSA-N 1 0 339.396 -1.405 20 0 EAADRO CC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186885015 790455999 /nfs/dbraw/zinc/45/59/99/790455999.db2.gz ASIVZHVKNVWAEL-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO CC[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186885018 790456465 /nfs/dbraw/zinc/45/64/65/790456465.db2.gz ASIVZHVKNVWAEL-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCCCOC)C1 ZINC001186911337 790456897 /nfs/dbraw/zinc/45/68/97/790456897.db2.gz AJFDLPROXFUSIY-LLVKDONJSA-N 1 0 330.385 -1.314 20 0 EAADRO COCCCOCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001186912032 790457195 /nfs/dbraw/zinc/45/71/95/790457195.db2.gz PRWCVTXSNMCONT-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO COCCCOCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186912156 790457338 /nfs/dbraw/zinc/45/73/38/790457338.db2.gz RTMLEAJJIKADQO-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)CC1 ZINC001186915391 790456878 /nfs/dbraw/zinc/45/68/78/790456878.db2.gz SRTHNMLZQFMEIG-HRCADAONSA-N 1 0 345.451 -1.429 20 0 EAADRO C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)CC1 ZINC001186915393 790456218 /nfs/dbraw/zinc/45/62/18/790456218.db2.gz SRTHNMLZQFMEIG-JYJNAYRXSA-N 1 0 345.451 -1.429 20 0 EAADRO C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)CC1 ZINC001186915397 790456718 /nfs/dbraw/zinc/45/67/18/790456718.db2.gz SRTHNMLZQFMEIG-OWCLPIDISA-N 1 0 345.451 -1.429 20 0 EAADRO C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)CC1 ZINC001186915398 790457319 /nfs/dbraw/zinc/45/73/19/790457319.db2.gz SRTHNMLZQFMEIG-PMPSAXMXSA-N 1 0 345.451 -1.429 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1)C(N)=O ZINC001186918573 790456044 /nfs/dbraw/zinc/45/60/44/790456044.db2.gz FXISOHJQWPXELO-KXUCPTDWSA-N 1 0 338.372 -2.758 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186918574 790456676 /nfs/dbraw/zinc/45/66/76/790456676.db2.gz FXISOHJQWPXELO-LPEHRKFASA-N 1 0 338.372 -2.758 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186919359 790456798 /nfs/dbraw/zinc/45/67/98/790456798.db2.gz OCLKGHGXQOAJFL-WDEREUQCSA-N 1 0 325.373 -2.249 20 0 EAADRO COCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919376 790456451 /nfs/dbraw/zinc/45/64/51/790456451.db2.gz PLADRHOIZUOKNU-WDEREUQCSA-N 1 0 325.373 -1.985 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919422 790457153 /nfs/dbraw/zinc/45/71/53/790457153.db2.gz RAEGPVWMCUXBCS-GARJFASQSA-N 1 0 325.373 -2.251 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919423 790457103 /nfs/dbraw/zinc/45/71/03/790457103.db2.gz RAEGPVWMCUXBCS-OUAUKWLOSA-N 1 0 325.373 -2.251 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919446 790456575 /nfs/dbraw/zinc/45/65/75/790456575.db2.gz SPJOKACZYPLQSB-VHSXEESVSA-N 1 0 338.372 -2.886 20 0 EAADRO COCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919449 790457134 /nfs/dbraw/zinc/45/71/34/790457134.db2.gz SYGITWZRAIOCFM-NWDGAFQWSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001186919731 790457125 /nfs/dbraw/zinc/45/71/25/790457125.db2.gz UHAIOKWFJOOQOB-WDEREUQCSA-N 1 0 327.364 -1.272 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919832 790456110 /nfs/dbraw/zinc/45/61/10/790456110.db2.gz XMESBFYHEVENGQ-NWDGAFQWSA-N 1 0 339.400 -1.595 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCCC(N)=O)C1 ZINC001186919847 790455934 /nfs/dbraw/zinc/45/59/34/790455934.db2.gz XZPCQJPROAHOIM-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919953 790457235 /nfs/dbraw/zinc/45/72/35/790457235.db2.gz YELDMUJJQZBAKO-GRYCIOLGSA-N 1 0 339.400 -1.597 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919954 790456291 /nfs/dbraw/zinc/45/62/91/790456291.db2.gz YELDMUJJQZBAKO-SDDRHHMPSA-N 1 0 339.400 -1.597 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919968 790456511 /nfs/dbraw/zinc/45/65/11/790456511.db2.gz ZFTUUANIBRTFBU-GRYCIOLGSA-N 1 0 339.400 -1.597 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186919969 790456193 /nfs/dbraw/zinc/45/61/93/790456193.db2.gz ZFTUUANIBRTFBU-SDDRHHMPSA-N 1 0 339.400 -1.597 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001186924828 790457255 /nfs/dbraw/zinc/45/72/55/790457255.db2.gz LDDOACNVULEXCE-RWMBFGLXSA-N 1 0 336.392 -1.197 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001186924829 790457280 /nfs/dbraw/zinc/45/72/80/790457280.db2.gz LDDOACNVULEXCE-YNEHKIRRSA-N 1 0 336.392 -1.197 20 0 EAADRO COCCCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186927609 790455855 /nfs/dbraw/zinc/45/58/55/790455855.db2.gz MODNANVENLCWBH-LLVKDONJSA-N 1 0 330.385 -1.185 20 0 EAADRO COCCCOCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001186927651 790455896 /nfs/dbraw/zinc/45/58/96/790455896.db2.gz NYJOQQNFRBXGLI-GHMZBOCLSA-N 1 0 330.385 -1.187 20 0 EAADRO COCCCOCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001186927655 790456694 /nfs/dbraw/zinc/45/66/94/790456694.db2.gz NYJOQQNFRBXGLI-WDEREUQCSA-N 1 0 330.385 -1.187 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1 ZINC001186933221 790457181 /nfs/dbraw/zinc/45/71/81/790457181.db2.gz GXDPMQDWVXTXFN-SNVBAGLBSA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1 ZINC001186933488 790457042 /nfs/dbraw/zinc/45/70/42/790457042.db2.gz NCPWDNXTYOMDRD-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)NCC1CC1 ZINC001186933719 790456063 /nfs/dbraw/zinc/45/60/63/790456063.db2.gz TXWBNQFXTCHOSF-NEPJUHHUSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)NCC1CC1 ZINC001186933720 790456971 /nfs/dbraw/zinc/45/69/71/790456971.db2.gz TXWBNQFXTCHOSF-VXGBXAGGSA-N 1 0 336.392 -1.102 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186941091 790457113 /nfs/dbraw/zinc/45/71/13/790457113.db2.gz BMFQCYYSKPAUBY-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001186941094 790456557 /nfs/dbraw/zinc/45/65/57/790456557.db2.gz BMFQCYYSKPAUBY-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001186941366 790457555 /nfs/dbraw/zinc/45/75/55/790457555.db2.gz FZHAWWLYMQWCLK-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001186941367 790456657 /nfs/dbraw/zinc/45/66/57/790456657.db2.gz FZHAWWLYMQWCLK-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1)C(=O)NC(N)=O ZINC001186941592 790455947 /nfs/dbraw/zinc/45/59/47/790455947.db2.gz NDJJOLQUOISUAH-GXSJLCMTSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1)C(=O)NC(N)=O ZINC001186941595 790456340 /nfs/dbraw/zinc/45/63/40/790456340.db2.gz NDJJOLQUOISUAH-MWLCHTKSSA-N 1 0 339.396 -1.323 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1 ZINC001186941728 790455835 /nfs/dbraw/zinc/45/58/35/790455835.db2.gz PAMTVWUOASFKME-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001186948874 790458962 /nfs/dbraw/zinc/45/89/62/790458962.db2.gz IDXBTJQTJFCGRP-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001186948879 790458905 /nfs/dbraw/zinc/45/89/05/790458905.db2.gz IDXBTJQTJFCGRP-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCCC(N)=O)C1)C(=O)NC(N)=O ZINC001186949699 790459817 /nfs/dbraw/zinc/45/98/17/790459817.db2.gz PUVVQVQTNIVZDY-NXEZZACHSA-N 1 0 327.385 -1.194 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCCC(N)=O)C1)C(=O)NC(N)=O ZINC001186949706 790458518 /nfs/dbraw/zinc/45/85/18/790458518.db2.gz PUVVQVQTNIVZDY-VHSXEESVSA-N 1 0 327.385 -1.194 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCCCC(N)=O)C1 ZINC001186949709 790459613 /nfs/dbraw/zinc/45/96/13/790459613.db2.gz PVKJDWOAJXCNHI-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO NC(=O)CCCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186950029 790460270 /nfs/dbraw/zinc/46/02/70/790460270.db2.gz TUBWUXLZBCOKGN-LLVKDONJSA-N 1 0 339.396 -1.226 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001186967730 790459403 /nfs/dbraw/zinc/45/94/03/790459403.db2.gz AOFYHLGLYZUHQH-NXEZZACHSA-N 1 0 337.384 -1.228 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001186967731 790460011 /nfs/dbraw/zinc/46/00/11/790460011.db2.gz AOFYHLGLYZUHQH-VHSXEESVSA-N 1 0 337.384 -1.228 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)NC(=O)NC1CC1 ZINC001186967777 790460236 /nfs/dbraw/zinc/46/02/36/790460236.db2.gz BRJMLNSQOOIICC-SNVBAGLBSA-N 1 0 335.368 -1.474 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001186967875 790459372 /nfs/dbraw/zinc/45/93/72/790459372.db2.gz CUEXJDVIVUDLNB-LLVKDONJSA-N 1 0 344.441 -1.133 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001186967890 790458942 /nfs/dbraw/zinc/45/89/42/790458942.db2.gz DFECSGQDEUJBSZ-SNVBAGLBSA-N 1 0 337.384 -1.227 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001186967913 790460293 /nfs/dbraw/zinc/46/02/93/790460293.db2.gz DYQRMWCDAWHKSC-SNVBAGLBSA-N 1 0 335.368 -1.520 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001186967978 790459527 /nfs/dbraw/zinc/45/95/27/790459527.db2.gz FRDSFSPVOVQILP-NEPJUHHUSA-N 1 0 327.385 -1.438 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001186967979 790460207 /nfs/dbraw/zinc/46/02/07/790460207.db2.gz FRDSFSPVOVQILP-VXGBXAGGSA-N 1 0 327.385 -1.438 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)S(C)(=O)=O ZINC001186968009 790459001 /nfs/dbraw/zinc/45/90/01/790459001.db2.gz GQPMJEIOGNKGDL-SNVBAGLBSA-N 1 0 330.414 -1.571 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)NC[C@@H]1CCCO1 ZINC001186968038 790459644 /nfs/dbraw/zinc/45/96/44/790459644.db2.gz HAGPXMFXBSUDEC-NEPJUHHUSA-N 1 0 336.396 -1.167 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)NC[C@H]1CCCO1 ZINC001186968041 790459317 /nfs/dbraw/zinc/45/93/17/790459317.db2.gz HAGPXMFXBSUDEC-VXGBXAGGSA-N 1 0 336.396 -1.167 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)C(=O)NC(=O)NC1CC1 ZINC001186968127 790459687 /nfs/dbraw/zinc/45/96/87/790459687.db2.gz IHGXRRLEVDELHA-GXSJLCMTSA-N 1 0 349.395 -1.086 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)C(=O)NC(=O)NC1CC1 ZINC001186968153 790459480 /nfs/dbraw/zinc/45/94/80/790459480.db2.gz IHGXRRLEVDELHA-MWLCHTKSSA-N 1 0 349.395 -1.086 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)NC[C@@H]1CCOC1 ZINC001186968317 790459565 /nfs/dbraw/zinc/45/95/65/790459565.db2.gz KFCSZZYMKASAKC-NWDGAFQWSA-N 1 0 336.396 -1.310 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)NC[C@H]1CCOC1 ZINC001186968319 790459248 /nfs/dbraw/zinc/45/92/48/790459248.db2.gz KFCSZZYMKASAKC-VXGBXAGGSA-N 1 0 336.396 -1.310 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 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328.413 -1.144 20 0 EAADRO COCCCNC(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186975469 790459723 /nfs/dbraw/zinc/45/97/23/790459723.db2.gz PJZPCWIWDDFADP-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO COCCCNC(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186975472 790458890 /nfs/dbraw/zinc/45/88/90/790458890.db2.gz PJZPCWIWDDFADP-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001186975798 790460093 /nfs/dbraw/zinc/46/00/93/790460093.db2.gz VLGGMYRCDVDMGQ-NXEZZACHSA-N 1 0 340.384 -1.695 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001186975801 790458985 /nfs/dbraw/zinc/45/89/85/790458985.db2.gz VLGGMYRCDVDMGQ-ZJUUUORDSA-N 1 0 340.384 -1.695 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCOC2CCOCC2)C1 ZINC001186976085 790459066 /nfs/dbraw/zinc/45/90/66/790459066.db2.gz ZXQSPSFBJRGYJF-LLVKDONJSA-N 1 0 342.396 -1.043 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186981623 790460130 /nfs/dbraw/zinc/46/01/30/790460130.db2.gz SPJOKACZYPLQSB-NXEZZACHSA-N 1 0 338.372 -2.886 20 0 EAADRO COCCCNC(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186982097 790459730 /nfs/dbraw/zinc/45/97/30/790459730.db2.gz XGXZNIXYXMWBFW-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO COCCCNC(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186982100 790460179 /nfs/dbraw/zinc/46/01/79/790460179.db2.gz XGXZNIXYXMWBFW-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO [NH3+]CCN(CCNC(=O)c1cccc(-n2cnnn2)c1)N(O)N=O ZINC001186984480 790456599 /nfs/dbraw/zinc/45/65/99/790456599.db2.gz WDEYDYZVLKHSNV-UHFFFAOYSA-N 1 0 335.328 -1.060 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186986784 790456615 /nfs/dbraw/zinc/45/66/15/790456615.db2.gz FXISOHJQWPXELO-IVZWLZJFSA-N 1 0 338.372 -2.758 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186986785 790457018 /nfs/dbraw/zinc/45/70/18/790457018.db2.gz FXISOHJQWPXELO-OPRDCNLKSA-N 1 0 338.372 -2.758 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186987033 790456785 /nfs/dbraw/zinc/45/67/85/790456785.db2.gz OCLKGHGXQOAJFL-GHMZBOCLSA-N 1 0 325.373 -2.249 20 0 EAADRO COCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987056 790457612 /nfs/dbraw/zinc/45/76/12/790457612.db2.gz PLADRHOIZUOKNU-GHMZBOCLSA-N 1 0 325.373 -1.985 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987101 790456920 /nfs/dbraw/zinc/45/69/20/790456920.db2.gz RAEGPVWMCUXBCS-GMTAPVOTSA-N 1 0 325.373 -2.251 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001186987103 790457600 /nfs/dbraw/zinc/45/76/00/790457600.db2.gz RAEGPVWMCUXBCS-HBNTYKKESA-N 1 0 325.373 -2.251 20 0 EAADRO COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987187 790456844 /nfs/dbraw/zinc/45/68/44/790456844.db2.gz SYGITWZRAIOCFM-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001186987200 790457428 /nfs/dbraw/zinc/45/74/28/790457428.db2.gz UHAIOKWFJOOQOB-GHMZBOCLSA-N 1 0 327.364 -1.272 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987484 790457476 /nfs/dbraw/zinc/45/74/76/790457476.db2.gz XMESBFYHEVENGQ-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987502 790456832 /nfs/dbraw/zinc/45/68/32/790456832.db2.gz YELDMUJJQZBAKO-IJLUTSLNSA-N 1 0 339.400 -1.597 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987504 790456145 /nfs/dbraw/zinc/45/61/45/790456145.db2.gz YELDMUJJQZBAKO-QJPTWQEYSA-N 1 0 339.400 -1.597 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987536 790460085 /nfs/dbraw/zinc/46/00/85/790460085.db2.gz ZFTUUANIBRTFBU-IJLUTSLNSA-N 1 0 339.400 -1.597 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001186987537 790458974 /nfs/dbraw/zinc/45/89/74/790458974.db2.gz ZFTUUANIBRTFBU-QJPTWQEYSA-N 1 0 339.400 -1.597 20 0 EAADRO CN(C)C(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001186994152 790458405 /nfs/dbraw/zinc/45/84/05/790458405.db2.gz BXODQOLXYUUARS-SECBINFHSA-N 1 0 325.369 -1.760 20 0 EAADRO CN(C)C(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001186994538 790458385 /nfs/dbraw/zinc/45/83/85/790458385.db2.gz MJNVZIAVKXGODG-GHMZBOCLSA-N 1 0 336.392 -1.150 20 0 EAADRO CN(C)C(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001186994539 790458774 /nfs/dbraw/zinc/45/87/74/790458774.db2.gz MJNVZIAVKXGODG-MNOVXSKESA-N 1 0 336.392 -1.150 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001186994977 790459094 /nfs/dbraw/zinc/45/90/94/790459094.db2.gz TXCRBHLVOXFFAK-SNVBAGLBSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1)C(=O)NC(N)=O ZINC001187003777 790459804 /nfs/dbraw/zinc/45/98/04/790459804.db2.gz DZRZTMMCSWLOQQ-NXEZZACHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1)C(=O)NC(N)=O ZINC001187003786 790459823 /nfs/dbraw/zinc/45/98/23/790459823.db2.gz DZRZTMMCSWLOQQ-VHSXEESVSA-N 1 0 339.396 -1.371 20 0 EAADRO CN(C)C(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001187003840 790458830 /nfs/dbraw/zinc/45/88/30/790458830.db2.gz FWHZGBSLFSTJCC-LLVKDONJSA-N 1 0 346.453 -1.406 20 0 EAADRO O=C(CNC(=O)C1CC1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187017465 790459344 /nfs/dbraw/zinc/45/93/44/790459344.db2.gz YHGFHWYMKJFQKG-RWMBFGLXSA-N 1 0 348.403 -1.150 20 0 EAADRO O=C(CNC(=O)C1CC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187017468 790458676 /nfs/dbraw/zinc/45/86/76/790458676.db2.gz YHGFHWYMKJFQKG-YNEHKIRRSA-N 1 0 348.403 -1.150 20 0 EAADRO COCc1nocc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187034463 790461786 /nfs/dbraw/zinc/46/17/86/790461786.db2.gz GOISSYQTLKJERH-MRVPVSSYSA-N 1 0 325.325 -1.180 20 0 EAADRO CC(=O)N[C@](C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001187034470 790461322 /nfs/dbraw/zinc/46/13/22/790461322.db2.gz GUDVDJGDTJXCGG-ABAIWWIYSA-N 1 0 339.396 -1.323 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001187034471 790462174 /nfs/dbraw/zinc/46/21/74/790462174.db2.gz GUDVDJGDTJXCGG-IAQYHMDHSA-N 1 0 339.396 -1.323 20 0 EAADRO CN1CCCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001187051154 790459704 /nfs/dbraw/zinc/45/97/04/790459704.db2.gz HSBZNABNQYFTSQ-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CCCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001187051155 790459628 /nfs/dbraw/zinc/45/96/28/790459628.db2.gz HSBZNABNQYFTSQ-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N1CCCC1=O ZINC001187051267 790459592 /nfs/dbraw/zinc/45/95/92/790459592.db2.gz KQQNNFQZXUFQJZ-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N1CCCC1=O ZINC001187051268 790460112 /nfs/dbraw/zinc/46/01/12/790460112.db2.gz KQQNNFQZXUFQJZ-WDEREUQCSA-N 1 0 339.396 -1.227 20 0 EAADRO Cn1nc2c(c1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CCC2 ZINC001187051433 790459133 /nfs/dbraw/zinc/45/91/33/790459133.db2.gz QTSRZZKUMREPEM-SECBINFHSA-N 1 0 334.380 -1.092 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001187060998 790458755 /nfs/dbraw/zinc/45/87/55/790458755.db2.gz AYHLIRYYZVRWKL-GXSJLCMTSA-N 1 0 334.380 -1.100 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001187060999 790459198 /nfs/dbraw/zinc/45/91/98/790459198.db2.gz AYHLIRYYZVRWKL-MWLCHTKSSA-N 1 0 334.380 -1.100 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061007 790459952 /nfs/dbraw/zinc/45/99/52/790459952.db2.gz BHPAXLTVPBRLAC-GHMZBOCLSA-N 1 0 328.369 -1.922 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061008 790459964 /nfs/dbraw/zinc/45/99/64/790459964.db2.gz BHPAXLTVPBRLAC-MNOVXSKESA-N 1 0 328.369 -1.922 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001187061021 790459430 /nfs/dbraw/zinc/45/94/30/790459430.db2.gz BVOCVHKIUDQKOB-HTQZYQBOSA-N 1 0 339.352 -1.165 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001187061022 790459835 /nfs/dbraw/zinc/45/98/35/790459835.db2.gz BVOCVHKIUDQKOB-JGVFFNPUSA-N 1 0 339.352 -1.165 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061033 790459669 /nfs/dbraw/zinc/45/96/69/790459669.db2.gz CJKPBDXAOFGUJU-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061039 790459714 /nfs/dbraw/zinc/45/97/14/790459714.db2.gz CQOUCKFCRJZUSD-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187061108 790459114 /nfs/dbraw/zinc/45/91/14/790459114.db2.gz FWZWUXFOZTUYPG-SECBINFHSA-N 1 0 342.352 -1.291 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187061204 790462008 /nfs/dbraw/zinc/46/20/08/790462008.db2.gz JREOMQNXKUIMGJ-MRVPVSSYSA-N 1 0 339.352 -1.211 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001187061222 790461528 /nfs/dbraw/zinc/46/15/28/790461528.db2.gz KEIOJBRIGOCOEU-BDAKNGLRSA-N 1 0 342.352 -1.292 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001187061223 790462849 /nfs/dbraw/zinc/46/28/49/790462849.db2.gz KEIOJBRIGOCOEU-RKDXNWHRSA-N 1 0 342.352 -1.292 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1=O ZINC001187061229 790462416 /nfs/dbraw/zinc/46/24/16/790462416.db2.gz KFPSHRTVYZLTNW-LLVKDONJSA-N 1 0 328.369 -1.920 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1)C(=O)N(C)C ZINC001187061287 790462574 /nfs/dbraw/zinc/46/25/74/790462574.db2.gz MFGRWRQRDZYDNS-GHMZBOCLSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1)C(=O)N(C)C ZINC001187061288 790460918 /nfs/dbraw/zinc/46/09/18/790460918.db2.gz MFGRWRQRDZYDNS-WDEREUQCSA-N 1 0 339.396 -1.452 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061299 790461654 /nfs/dbraw/zinc/46/16/54/790461654.db2.gz MNRHWUPLHLYTJA-NXEZZACHSA-N 1 0 325.369 -1.795 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061300 790462091 /nfs/dbraw/zinc/46/20/91/790462091.db2.gz MNRHWUPLHLYTJA-VHSXEESVSA-N 1 0 325.369 -1.795 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061368 790461603 /nfs/dbraw/zinc/46/16/03/790461603.db2.gz PSWQWKYHNNZGDM-SNVBAGLBSA-N 1 0 325.369 -1.841 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001187061375 790462601 /nfs/dbraw/zinc/46/26/01/790462601.db2.gz PXIJGTGVEJYYIL-MRVPVSSYSA-N 1 0 339.352 -1.163 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061378 790461679 /nfs/dbraw/zinc/46/16/79/790461679.db2.gz QAMAFGWEVKEECO-LLVKDONJSA-N 1 0 339.396 -1.405 20 0 EAADRO Cc1nc2nccc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)n2n1 ZINC001187061389 790462776 /nfs/dbraw/zinc/46/27/76/790462776.db2.gz QLWHLYRXAMDOQP-SECBINFHSA-N 1 0 346.351 -1.568 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001187061419 790461337 /nfs/dbraw/zinc/46/13/37/790461337.db2.gz SCNHJLOQAAFUMM-DTWKUNHWSA-N 1 0 335.368 -1.705 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001187061420 790462445 /nfs/dbraw/zinc/46/24/45/790462445.db2.gz SCNHJLOQAAFUMM-RKDXNWHRSA-N 1 0 335.368 -1.705 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1=O ZINC001187061421 790462219 /nfs/dbraw/zinc/46/22/19/790462219.db2.gz SGGDHAZHXKYJJP-LLVKDONJSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1=O ZINC001187061445 790462335 /nfs/dbraw/zinc/46/23/35/790462335.db2.gz UEARUUVYDNLKOM-SNVBAGLBSA-N 1 0 346.409 -1.885 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001187061481 790461894 /nfs/dbraw/zinc/46/18/94/790461894.db2.gz UWSUFVAEKDIMMZ-SSDOTTSWSA-N 1 0 325.325 -1.554 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061549 790462819 /nfs/dbraw/zinc/46/28/19/790462819.db2.gz WAMMQBAIXXOVJJ-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001187061551 790462872 /nfs/dbraw/zinc/46/28/72/790462872.db2.gz WDVXUVMSMOHPOX-GFCCVEGCSA-N 1 0 342.396 -1.266 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001187061928 790462467 /nfs/dbraw/zinc/46/24/67/790462467.db2.gz YERJGSGAQCKMKM-MRVPVSSYSA-N 1 0 340.340 -2.734 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001187061965 790460935 /nfs/dbraw/zinc/46/09/35/790460935.db2.gz ZKFDOABBOVNREJ-MRVPVSSYSA-N 1 0 347.335 -1.566 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1)NC1CC1 ZINC001187068756 790460867 /nfs/dbraw/zinc/46/08/67/790460867.db2.gz ASRHYAZVUXUVPW-SNVBAGLBSA-N 1 0 345.363 -1.500 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(=O)N(C)C ZINC001187068766 790461475 /nfs/dbraw/zinc/46/14/75/790461475.db2.gz BKCGGSAQYZFHRP-NXEZZACHSA-N 1 0 347.379 -1.302 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1)C(=O)N(C)C ZINC001187068767 790462139 /nfs/dbraw/zinc/46/21/39/790462139.db2.gz BKCGGSAQYZFHRP-VHSXEESVSA-N 1 0 347.379 -1.302 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187068824 790461358 /nfs/dbraw/zinc/46/13/58/790461358.db2.gz DTDPQXZBGLWKHW-NXEZZACHSA-N 1 0 336.352 -1.771 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187068825 790461737 /nfs/dbraw/zinc/46/17/37/790461737.db2.gz DTDPQXZBGLWKHW-ZJUUUORDSA-N 1 0 336.352 -1.771 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187068845 790462193 /nfs/dbraw/zinc/46/21/93/790462193.db2.gz FPRZDYRCHWHQFC-SSDOTTSWSA-N 1 0 348.323 -2.583 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187069090 790461252 /nfs/dbraw/zinc/46/12/52/790461252.db2.gz HMIWYAKFAMSNJP-SNVBAGLBSA-N 1 0 347.379 -1.254 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187069178 790461583 /nfs/dbraw/zinc/46/15/83/790461583.db2.gz IMTXGUOUXQAOFH-SECBINFHSA-N 1 0 333.352 -1.690 20 0 EAADRO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187069567 790462744 /nfs/dbraw/zinc/46/27/44/790462744.db2.gz OWKRHLCIGIPNCQ-SNVBAGLBSA-N 1 0 336.352 -1.769 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001187069799 790462487 /nfs/dbraw/zinc/46/24/87/790462487.db2.gz ROJNNMBGYUUWKY-NXEZZACHSA-N 1 0 349.395 -1.444 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001187069802 790461454 /nfs/dbraw/zinc/46/14/54/790461454.db2.gz ROJNNMBGYUUWKY-VHSXEESVSA-N 1 0 349.395 -1.444 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187069883 790461754 /nfs/dbraw/zinc/46/17/54/790461754.db2.gz VFZIYNAADSOUBS-SNVBAGLBSA-N 1 0 347.379 -1.252 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187069934 790460705 /nfs/dbraw/zinc/46/07/05/790460705.db2.gz WINLETHNKSENFH-SECBINFHSA-N 1 0 333.352 -1.642 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187069971 790462761 /nfs/dbraw/zinc/46/27/61/790462761.db2.gz WVGUNDCTURRQKZ-SNVBAGLBSA-N 1 0 347.379 -1.300 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187069998 790462833 /nfs/dbraw/zinc/46/28/33/790462833.db2.gz XEQRIKVTJDODDU-DTWKUNHWSA-N 1 0 333.352 -1.644 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001187070010 790461157 /nfs/dbraw/zinc/46/11/57/790461157.db2.gz XEQRIKVTJDODDU-RKDXNWHRSA-N 1 0 333.352 -1.644 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187071897 790462676 /nfs/dbraw/zinc/46/26/76/790462676.db2.gz IGMBINSCZRLSJE-GARJFASQSA-N 1 0 338.364 -1.320 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187071898 790460808 /nfs/dbraw/zinc/46/08/08/790460808.db2.gz IGMBINSCZRLSJE-HBNTYKKESA-N 1 0 338.364 -1.320 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001187071929 790462265 /nfs/dbraw/zinc/46/22/65/790462265.db2.gz JKJWRDQKTSLNQV-NWDGAFQWSA-N 1 0 339.396 -1.100 20 0 EAADRO CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187083356 790460987 /nfs/dbraw/zinc/46/09/87/790460987.db2.gz FVQIPEDOASVZLZ-SECBINFHSA-N 1 0 348.425 -1.415 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001187090566 790464914 /nfs/dbraw/zinc/46/49/14/790464914.db2.gz CJPFQVQCADZZPU-LLVKDONJSA-N 1 0 336.396 -1.001 20 0 EAADRO Cn1cncc1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187092171 790464603 /nfs/dbraw/zinc/46/46/03/790464603.db2.gz QEGJYOQVFSXWEU-LLVKDONJSA-N 1 0 329.426 -1.298 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001187092620 790464555 /nfs/dbraw/zinc/46/45/55/790464555.db2.gz ZQOJYNODJWJVDQ-GHMZBOCLSA-N 1 0 336.396 -1.003 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001187092621 790463566 /nfs/dbraw/zinc/46/35/66/790463566.db2.gz ZQOJYNODJWJVDQ-WDEREUQCSA-N 1 0 336.396 -1.003 20 0 EAADRO CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187098248 790464082 /nfs/dbraw/zinc/46/40/82/790464082.db2.gz GXYDQUVAMJBIJL-PSASIEDQSA-N 1 0 342.400 -1.545 20 0 EAADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187098249 790464427 /nfs/dbraw/zinc/46/44/27/790464427.db2.gz GXYDQUVAMJBIJL-SCZZXKLOSA-N 1 0 342.400 -1.545 20 0 EAADRO COc1cc[nH]c(=O)c1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187127496 790463936 /nfs/dbraw/zinc/46/39/36/790463936.db2.gz VWZSFHCBHRCFDX-MRVPVSSYSA-N 1 0 337.336 -1.205 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N(C)C)nn2)C1 ZINC001187151680 790464315 /nfs/dbraw/zinc/46/43/15/790464315.db2.gz FYEHBJLMJLTYIH-SNVBAGLBSA-N 1 0 349.395 -1.198 20 0 EAADRO CNC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cn1 ZINC001187152132 790464706 /nfs/dbraw/zinc/46/47/06/790464706.db2.gz LCAHPJJAYIOEAK-SNVBAGLBSA-N 1 0 348.363 -1.560 20 0 EAADRO CN(C)c1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001187152428 790463803 /nfs/dbraw/zinc/46/38/03/790463803.db2.gz NZWJDKCOWRJTHW-SECBINFHSA-N 1 0 335.368 -1.458 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(N(C)C)nn2)C1)C(=O)NC(N)=O ZINC001187152501 790464809 /nfs/dbraw/zinc/46/48/09/790464809.db2.gz OYWCOTLOGMINDX-NXEZZACHSA-N 1 0 349.395 -1.070 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(N(C)C)nn2)C1)C(=O)NC(N)=O ZINC001187152503 790463385 /nfs/dbraw/zinc/46/33/85/790463385.db2.gz OYWCOTLOGMINDX-VHSXEESVSA-N 1 0 349.395 -1.070 20 0 EAADRO CN(C)C(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187166953 790464027 /nfs/dbraw/zinc/46/40/27/790464027.db2.gz MXAZWAUHWDWKHS-SNVBAGLBSA-N 1 0 327.385 -1.370 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC(=O)N(C)C)C1 ZINC001187166985 790464534 /nfs/dbraw/zinc/46/45/34/790464534.db2.gz ODFGWCVCDXMHHV-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001187176205 790464459 /nfs/dbraw/zinc/46/44/59/790464459.db2.gz IKBDHQOLMYYPGW-SNVBAGLBSA-N 1 0 335.364 -1.355 20 0 EAADRO CN(C)C(=O)CCCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187176513 790464405 /nfs/dbraw/zinc/46/44/05/790464405.db2.gz MPRVGVKYVQOVCL-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1)C(=O)NC(N)=O ZINC001187176865 790464859 /nfs/dbraw/zinc/46/48/59/790464859.db2.gz QIYUETMCINYHNP-NXEZZACHSA-N 1 0 335.364 -1.227 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1)C(=O)NC(N)=O ZINC001187176866 790463781 /nfs/dbraw/zinc/46/37/81/790463781.db2.gz QIYUETMCINYHNP-VHSXEESVSA-N 1 0 335.364 -1.227 20 0 EAADRO Cn1cccc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)c1=O ZINC001187177101 790464390 /nfs/dbraw/zinc/46/43/90/790464390.db2.gz UUNUESREDOEBTF-LLVKDONJSA-N 1 0 342.421 -1.261 20 0 EAADRO CCNC(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187184688 790464061 /nfs/dbraw/zinc/46/40/61/790464061.db2.gz LTKLKZJMLHCXJI-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO CCNC(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001187184690 790463474 /nfs/dbraw/zinc/46/34/74/790463474.db2.gz LTLDYLUDBDEGQF-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCCNC(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001187193167 790464380 /nfs/dbraw/zinc/46/43/80/790464380.db2.gz CLLILCHHUFMOBE-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCCNC(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187193920 790464220 /nfs/dbraw/zinc/46/42/20/790464220.db2.gz NMFBIFYUPHZUBW-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001187213459 790464238 /nfs/dbraw/zinc/46/42/38/790464238.db2.gz GEIDCQGLNMWXDK-JLLWLGSASA-N 1 0 339.396 -1.229 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001187213474 790464691 /nfs/dbraw/zinc/46/46/91/790464691.db2.gz GEIDCQGLNMWXDK-WCQGTBRESA-N 1 0 339.396 -1.229 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187213751 790464414 /nfs/dbraw/zinc/46/44/14/790464414.db2.gz MSMOORQRRBFHEG-MNOVXSKESA-N 1 0 325.369 -1.617 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001187213956 790464118 /nfs/dbraw/zinc/46/41/18/790464118.db2.gz UDMUOIXIVCZQLR-NEPJUHHUSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187214297 790464175 /nfs/dbraw/zinc/46/41/75/790464175.db2.gz YDOFLBCAJBSELG-OLZOCXBDSA-N 1 0 346.453 -1.263 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001187220000 790463849 /nfs/dbraw/zinc/46/38/49/790463849.db2.gz AOYPGHZNCOOVMI-MNOVXSKESA-N 1 0 337.380 -1.603 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220002 790464495 /nfs/dbraw/zinc/46/44/95/790464495.db2.gz ARFQXYFQHHVPBN-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC[C@H]1CCOC1 ZINC001187220007 790464737 /nfs/dbraw/zinc/46/47/37/790464737.db2.gz AVTBQMYBLBUILZ-UPJWGTAASA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC[C@@H]1CCOC1 ZINC001187220008 790463982 /nfs/dbraw/zinc/46/39/82/790463982.db2.gz AVTBQMYBLBUILZ-XQQFMLRXSA-N 1 0 338.408 -1.392 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)S(C)(=O)=O ZINC001187220031 790464048 /nfs/dbraw/zinc/46/40/48/790464048.db2.gz BTAXYMJDQDCHRS-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220062 790466853 /nfs/dbraw/zinc/46/68/53/790466853.db2.gz DCKWPOWLLMRABZ-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220443 790466585 /nfs/dbraw/zinc/46/65/85/790466585.db2.gz IJYJMYSRVMSNTD-AEJSXWLSSA-N 1 0 325.369 -1.700 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220445 790466646 /nfs/dbraw/zinc/46/66/46/790466646.db2.gz IJYJMYSRVMSNTD-BBBLOLIVSA-N 1 0 325.369 -1.700 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC[C@@H]1CCCO1 ZINC001187220731 790466967 /nfs/dbraw/zinc/46/69/67/790466967.db2.gz LJWHAIPEZATIBF-AGIUHOORSA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC[C@H]1CCCO1 ZINC001187220732 790466994 /nfs/dbraw/zinc/46/69/94/790466994.db2.gz LJWHAIPEZATIBF-UPJWGTAASA-N 1 0 338.408 -1.249 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220759 790466093 /nfs/dbraw/zinc/46/60/93/790466093.db2.gz MRDQHSADYWSEDN-AXFHLTTASA-N 1 0 339.396 -1.310 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220760 790466502 /nfs/dbraw/zinc/46/65/02/790466502.db2.gz MRDQHSADYWSEDN-MXWKQRLJSA-N 1 0 339.396 -1.310 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)Nc1cnccn1 ZINC001187220792 790465740 /nfs/dbraw/zinc/46/57/40/790465740.db2.gz OCKRUAGUZMOOBS-MNOVXSKESA-N 1 0 332.364 -1.116 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220950 790465681 /nfs/dbraw/zinc/46/56/81/790465681.db2.gz QJVZGFUVYCRKNX-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001187220951 790466356 /nfs/dbraw/zinc/46/63/56/790466356.db2.gz QLCIWFKQQYFIQK-AGIUHOORSA-N 1 0 338.408 -1.561 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220997 790466956 /nfs/dbraw/zinc/46/69/56/790466956.db2.gz SEAYOQGDEJMQRX-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221003 790466691 /nfs/dbraw/zinc/46/66/91/790466691.db2.gz SKPVAHJGRHODJB-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221134 790466892 /nfs/dbraw/zinc/46/68/92/790466892.db2.gz SOYLZSXVGSFMLM-OLZOCXBDSA-N 1 0 326.397 -1.392 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)Nc1nncs1 ZINC001187221159 790465837 /nfs/dbraw/zinc/46/58/37/790465837.db2.gz UGHGOCIEDBYMJD-BDAKNGLRSA-N 1 0 338.393 -1.054 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC(=O)NC1CC1 ZINC001187221200 790466517 /nfs/dbraw/zinc/46/65/17/790466517.db2.gz UXLRZEIKHGFYKY-MNOVXSKESA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC1CCOCC1 ZINC001187221203 790466272 /nfs/dbraw/zinc/46/62/72/790466272.db2.gz UZKLDFJEFFAMQC-OLZOCXBDSA-N 1 0 338.408 -1.249 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221258 790465973 /nfs/dbraw/zinc/46/59/73/790465973.db2.gz VZBLSDWMFNXLBE-UPJWGTAASA-N 1 0 340.424 -1.003 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221261 790465624 /nfs/dbraw/zinc/46/56/24/790465624.db2.gz VZBLSDWMFNXLBE-XQQFMLRXSA-N 1 0 340.424 -1.003 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221345 790466634 /nfs/dbraw/zinc/46/66/34/790466634.db2.gz WPSBEMJULAMAGX-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221368 790466901 /nfs/dbraw/zinc/46/69/01/790466901.db2.gz XEANSRCXYKAHEL-MNOVXSKESA-N 1 0 332.426 -1.605 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221522 790465667 /nfs/dbraw/zinc/46/56/67/790465667.db2.gz ZRURUNYGSIPYQP-AGIUHOORSA-N 1 0 329.397 -1.521 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221524 790467089 /nfs/dbraw/zinc/46/70/89/790467089.db2.gz ZRURUNYGSIPYQP-UPJWGTAASA-N 1 0 329.397 -1.521 20 0 EAADRO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)C(C)C ZINC001187241356 790463825 /nfs/dbraw/zinc/46/38/25/790463825.db2.gz XPAKPNIXYLOQJW-MVWJERBFSA-N 1 0 341.412 -1.079 20 0 EAADRO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)C(C)C ZINC001187241358 790464159 /nfs/dbraw/zinc/46/41/59/790464159.db2.gz XPAKPNIXYLOQJW-YUSALJHKSA-N 1 0 341.412 -1.079 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001187252192 790466749 /nfs/dbraw/zinc/46/67/49/790466749.db2.gz AMDBBJHSHSLYDD-DGCLKSJQSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C(C)C ZINC001187253119 790467053 /nfs/dbraw/zinc/46/70/53/790467053.db2.gz NSOFBLWGXXNAAR-CHWSQXEVSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)C ZINC001187253398 790466814 /nfs/dbraw/zinc/46/68/14/790466814.db2.gz RGXOLWIPMPTVJA-ZYHUDNBSSA-N 1 0 327.385 -1.468 20 0 EAADRO CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187253460 790466199 /nfs/dbraw/zinc/46/61/99/790466199.db2.gz WCHKTPGXGILFRK-VXGBXAGGSA-N 1 0 341.412 -1.077 20 0 EAADRO CS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001187254689 790465787 /nfs/dbraw/zinc/46/57/87/790465787.db2.gz SHVHHGIROUDFPJ-QJPTWQEYSA-N 1 0 344.437 -1.653 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)n1 ZINC001187259896 790467040 /nfs/dbraw/zinc/46/70/40/790467040.db2.gz KYGAPZXWWDAWRI-GFCCVEGCSA-N 1 0 342.421 -1.213 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001187260163 790466603 /nfs/dbraw/zinc/46/66/03/790466603.db2.gz QCWNNZGYQBGMBX-SNVBAGLBSA-N 1 0 336.352 -2.063 20 0 EAADRO CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187260461 790465993 /nfs/dbraw/zinc/46/59/93/790465993.db2.gz WCHKTPGXGILFRK-NEPJUHHUSA-N 1 0 341.412 -1.077 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001187263666 790466720 /nfs/dbraw/zinc/46/67/20/790466720.db2.gz WMJYLKOBFGLZSX-HBNTYKKESA-N 1 0 337.380 -1.747 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001187298593 790465576 /nfs/dbraw/zinc/46/55/76/790465576.db2.gz JXOXWBHMLWYRAR-SECBINFHSA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(=O)NC)CCC2)C1 ZINC001187298920 790465904 /nfs/dbraw/zinc/46/59/04/790465904.db2.gz RFCYUIKMAHSEHZ-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO Cc1nn(CCS(=O)(=O)NCCC[NH+]2CCC(O)CC2)c(=O)o1 ZINC001187299309 790466540 /nfs/dbraw/zinc/46/65/40/790466540.db2.gz OUZZUSSJMOIVEK-UHFFFAOYSA-N 1 0 348.425 -1.089 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC001187304610 790466844 /nfs/dbraw/zinc/46/68/44/790466844.db2.gz TTZNQAPNWLSQQH-PAURTPPISA-N 1 0 340.376 -1.722 20 0 EAADRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC001187304647 790465939 /nfs/dbraw/zinc/46/59/39/790465939.db2.gz TTZNQAPNWLSQQH-UTGUJQJDSA-N 1 0 340.376 -1.722 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001187315164 790465602 /nfs/dbraw/zinc/46/56/02/790465602.db2.gz RECBJZRQZIZPQD-GHMZBOCLSA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001187315166 790466481 /nfs/dbraw/zinc/46/64/81/790466481.db2.gz RECBJZRQZIZPQD-MNOVXSKESA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001187323104 790466223 /nfs/dbraw/zinc/46/62/23/790466223.db2.gz YMLGVXIUHYIOQO-LLVKDONJSA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CCC1 ZINC001187323239 790466768 /nfs/dbraw/zinc/46/67/68/790466768.db2.gz YYODXPWPFKRQKD-NXEZZACHSA-N 1 0 339.396 -1.323 20 0 EAADRO 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CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCN(C)C(C)=O)C1 ZINC001187474611 790471839 /nfs/dbraw/zinc/47/18/39/790471839.db2.gz AZKVKGDKXYNNOM-GFCCVEGCSA-N 1 0 341.412 -1.109 20 0 EAADRO Cc1nn(C)c(F)c1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187474716 790471888 /nfs/dbraw/zinc/47/18/88/790471888.db2.gz CPNKDUXWGOOXFQ-MRVPVSSYSA-N 1 0 326.332 -1.133 20 0 EAADRO CC(=O)N(C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187474744 790473069 /nfs/dbraw/zinc/47/30/69/790473069.db2.gz CXYBENJYWNLRST-LLVKDONJSA-N 1 0 327.385 -1.370 20 0 EAADRO CC(=O)N(C)CCCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187484985 790472959 /nfs/dbraw/zinc/47/29/59/790472959.db2.gz ZSRCBZHNFPPKCX-CYBMUJFWSA-N 1 0 348.469 -1.015 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001187490789 790472403 /nfs/dbraw/zinc/47/24/03/790472403.db2.gz FFEWVBRZRCEZQY-GFCCVEGCSA-N 1 0 346.453 -1.309 20 0 EAADRO CNC(=O)c1cccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001187491127 790473320 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ZINC001187515570 790471190 /nfs/dbraw/zinc/47/11/90/790471190.db2.gz ANPDLEDCUMFMPS-GHMZBOCLSA-N 1 0 341.368 -2.381 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187515571 790469992 /nfs/dbraw/zinc/46/99/92/790469992.db2.gz ANPDLEDCUMFMPS-MNOVXSKESA-N 1 0 341.368 -2.381 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001187515672 790470247 /nfs/dbraw/zinc/47/02/47/790470247.db2.gz DBDCGVQWLSZUJK-LLVKDONJSA-N 1 0 334.442 -1.453 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001187515697 790471292 /nfs/dbraw/zinc/47/12/92/790471292.db2.gz DMCFONFZQMCSPR-KGLIPLIRSA-N 1 0 340.424 -1.098 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001187515699 790469820 /nfs/dbraw/zinc/46/98/20/790469820.db2.gz DMCFONFZQMCSPR-ZIAGYGMSSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001187515724 790470944 /nfs/dbraw/zinc/47/09/44/790470944.db2.gz 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CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001187515754 790472264 /nfs/dbraw/zinc/47/22/64/790472264.db2.gz GCNOPHVNORMQTH-KGLIPLIRSA-N 1 0 338.408 -1.297 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001187515755 790473611 /nfs/dbraw/zinc/47/36/11/790473611.db2.gz GCNOPHVNORMQTH-ZIAGYGMSSA-N 1 0 338.408 -1.297 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001187515760 790471995 /nfs/dbraw/zinc/47/19/95/790471995.db2.gz GITHMWJRQFZHED-SECBINFHSA-N 1 0 349.413 -2.476 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001187515770 790473134 /nfs/dbraw/zinc/47/31/34/790473134.db2.gz GQBVWOKTMGHPMQ-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001187515780 790471985 /nfs/dbraw/zinc/47/19/85/790471985.db2.gz HHHOMTHRATZGOP-HZSPNIEDSA-N 1 0 329.397 -1.569 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001187515781 790472181 /nfs/dbraw/zinc/47/21/81/790472181.db2.gz HHHOMTHRATZGOP-MCIONIFRSA-N 1 0 329.397 -1.569 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001187515782 790471826 /nfs/dbraw/zinc/47/18/26/790471826.db2.gz HHHOMTHRATZGOP-MGPQQGTHSA-N 1 0 329.397 -1.569 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001187515783 790473400 /nfs/dbraw/zinc/47/34/00/790473400.db2.gz HHHOMTHRATZGOP-RDBSUJKOSA-N 1 0 329.397 -1.569 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001187515784 790473006 /nfs/dbraw/zinc/47/30/06/790473006.db2.gz HHVYZUMOBBUBLU-GFCCVEGCSA-N 1 0 337.442 -1.269 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187515785 790473598 /nfs/dbraw/zinc/47/35/98/790473598.db2.gz HJFRXHLYWNHYCC-KGLIPLIRSA-N 1 0 329.397 -1.567 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187515786 790472783 /nfs/dbraw/zinc/47/27/83/790472783.db2.gz HJFRXHLYWNHYCC-ZIAGYGMSSA-N 1 0 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COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001187594964 790477542 /nfs/dbraw/zinc/47/75/42/790477542.db2.gz JXCQNBZDOVBSHS-MNOVXSKESA-N 1 0 342.396 -1.485 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001187594989 790477142 /nfs/dbraw/zinc/47/71/42/790477142.db2.gz LMGWWEMQZOYIHV-SNVBAGLBSA-N 1 0 339.396 -1.405 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001187595886 790477670 /nfs/dbraw/zinc/47/76/70/790477670.db2.gz SSNYZVRGRYMURY-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO O=C(CCC(=O)N1CCOCC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187622461 790478678 /nfs/dbraw/zinc/47/86/78/790478678.db2.gz BHDPMNRTTJRFPW-CQSZACIVSA-N 1 0 343.424 -1.175 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001187622550 790479901 /nfs/dbraw/zinc/47/99/01/790479901.db2.gz DNBGPKAZRIJBJE-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001187622587 790480026 /nfs/dbraw/zinc/48/00/26/790480026.db2.gz FFGGVBJQWVGTFP-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO O=C(CCC(=O)N1CCOCC1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001187623130 790480088 /nfs/dbraw/zinc/48/00/88/790480088.db2.gz MPCXKYVVYWELEY-CHWSQXEVSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(CCC(=O)N1CCOCC1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001187623131 790479968 /nfs/dbraw/zinc/47/99/68/790479968.db2.gz MPCXKYVVYWELEY-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187623424 790479665 /nfs/dbraw/zinc/47/96/65/790479665.db2.gz ZTKAAMYITUPFDH-QJPTWQEYSA-N 1 0 336.392 -1.150 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187623425 790478893 /nfs/dbraw/zinc/47/88/93/790478893.db2.gz ZTKAAMYITUPFDH-SDDRHHMPSA-N 1 0 336.392 -1.150 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001187623500 790478386 /nfs/dbraw/zinc/47/83/86/790478386.db2.gz RNOJOWZPFNJOIB-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001187623517 790479230 /nfs/dbraw/zinc/47/92/30/790479230.db2.gz SJWIQTFRWRIIIP-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001187623518 790480133 /nfs/dbraw/zinc/48/01/33/790480133.db2.gz SJWIQTFRWRIIIP-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001187623556 790479432 /nfs/dbraw/zinc/47/94/32/790479432.db2.gz URBDNOXCPMWDMI-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001187623557 790478303 /nfs/dbraw/zinc/47/83/03/790478303.db2.gz URBDNOXCPMWDMI-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1)C(N)=O ZINC001187623558 790479445 /nfs/dbraw/zinc/47/94/45/790479445.db2.gz UUIYRBXOAJJAPP-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1)C(N)=O ZINC001187623559 790479873 /nfs/dbraw/zinc/47/98/73/790479873.db2.gz UUIYRBXOAJJAPP-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO Cn1nc(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)ccc1=O ZINC001187629040 790480356 /nfs/dbraw/zinc/48/03/56/790480356.db2.gz PSZNMUAPZIQEGZ-SNVBAGLBSA-N 1 0 328.394 -1.371 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001187629477 790479708 /nfs/dbraw/zinc/47/97/08/790479708.db2.gz YBLMMMJPSXONPO-SECBINFHSA-N 1 0 336.352 -1.960 20 0 EAADRO Cn1nc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)ccc1=O ZINC001187635551 790479402 /nfs/dbraw/zinc/47/94/02/790479402.db2.gz BKIBSQRBBFQLEU-SNVBAGLBSA-N 1 0 343.409 -1.866 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1)C(=O)NC(N)=O ZINC001187636180 790479458 /nfs/dbraw/zinc/47/94/58/790479458.db2.gz LOHPSGYSOIEZFN-DTWKUNHWSA-N 1 0 336.352 -1.832 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1)C(=O)NC(N)=O ZINC001187636183 790479857 /nfs/dbraw/zinc/47/98/57/790479857.db2.gz LOHPSGYSOIEZFN-RKDXNWHRSA-N 1 0 336.352 -1.832 20 0 EAADRO Cn1nc(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)ccc1=O ZINC001187637351 790480347 /nfs/dbraw/zinc/48/03/47/790480347.db2.gz ZOGSWFLVMIJEMV-CHWSQXEVSA-N 1 0 346.391 -1.158 20 0 EAADRO Cn1nc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)ccc1=O ZINC001187637352 790479354 /nfs/dbraw/zinc/47/93/54/790479354.db2.gz ZOGSWFLVMIJEMV-OLZOCXBDSA-N 1 0 346.391 -1.158 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)NC[C@H]1CCOC1 ZINC001187655429 790480234 /nfs/dbraw/zinc/48/02/34/790480234.db2.gz AQCMNDDKYUUZIA-CHWSQXEVSA-N 1 0 336.396 -1.379 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)NC[C@@H]1CCOC1 ZINC001187655431 790479001 /nfs/dbraw/zinc/47/90/01/790479001.db2.gz AQCMNDDKYUUZIA-QWHCGFSZSA-N 1 0 336.396 -1.379 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187655685 790480076 /nfs/dbraw/zinc/48/00/76/790480076.db2.gz FAYDSKLXUHXZAQ-GFCCVEGCSA-N 1 0 344.441 -1.250 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001187655721 790478596 /nfs/dbraw/zinc/47/85/96/790478596.db2.gz GIQIMTDHTDEIGV-LLVKDONJSA-N 1 0 335.368 -1.590 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)C(=O)NC(=O)NC1CC1 ZINC001187656624 790480259 /nfs/dbraw/zinc/48/02/59/790480259.db2.gz UGNPSQRRHVSBDK-CMPLNLGQSA-N 1 0 349.395 -1.155 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)C(=O)NC(=O)NC1CC1 ZINC001187656625 790479495 /nfs/dbraw/zinc/47/94/95/790479495.db2.gz UGNPSQRRHVSBDK-ZYHUDNBSSA-N 1 0 349.395 -1.155 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656660 790480071 /nfs/dbraw/zinc/48/00/71/790480071.db2.gz UZACMZRUVDPTMU-CHWSQXEVSA-N 1 0 327.385 -1.508 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656665 790479183 /nfs/dbraw/zinc/47/91/83/790479183.db2.gz UZACMZRUVDPTMU-OLZOCXBDSA-N 1 0 327.385 -1.508 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656836 790478932 /nfs/dbraw/zinc/47/89/32/790478932.db2.gz YRXRAFWZTLLPCD-LLVKDONJSA-N 1 0 330.414 -1.592 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)NC1CCOCC1 ZINC001187663982 790481978 /nfs/dbraw/zinc/48/19/78/790481978.db2.gz ASDRREJBQBMPKI-CYBMUJFWSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)Nc1nncs1 ZINC001187664016 790481286 /nfs/dbraw/zinc/48/12/86/790481286.db2.gz CKZBFWDRJADDME-SECBINFHSA-N 1 0 336.381 -1.041 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)S(C)(=O)=O ZINC001187664055 790482103 /nfs/dbraw/zinc/48/21/03/790482103.db2.gz FGPPBJIORQRLBW-LLVKDONJSA-N 1 0 330.414 -1.640 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187664069 790481838 /nfs/dbraw/zinc/48/18/38/790481838.db2.gz GAWHFLVYYKKOMY-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)NC[C@H]1CCCO1 ZINC001187664087 790481754 /nfs/dbraw/zinc/48/17/54/790481754.db2.gz HEHTUHQITAETQZ-CHWSQXEVSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)NC[C@@H]1CCCO1 ZINC001187664088 790480990 /nfs/dbraw/zinc/48/09/90/790480990.db2.gz HEHTUHQITAETQZ-OLZOCXBDSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)Nc1cnccn1 ZINC001187664104 790481719 /nfs/dbraw/zinc/48/17/19/790481719.db2.gz HYTDEBKIAWDJCR-LLVKDONJSA-N 1 0 330.352 -1.103 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664191 790482686 /nfs/dbraw/zinc/48/26/86/790482686.db2.gz JMDSEVPCJYXCNU-GHMZBOCLSA-N 1 0 337.384 -1.297 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664192 790482648 /nfs/dbraw/zinc/48/26/48/790482648.db2.gz JMDSEVPCJYXCNU-WDEREUQCSA-N 1 0 337.384 -1.297 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664242 790481119 /nfs/dbraw/zinc/48/11/19/790481119.db2.gz KZFWNJVOVPNJKB-LLVKDONJSA-N 1 0 337.384 -1.296 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187664329 790482323 /nfs/dbraw/zinc/48/23/23/790482323.db2.gz OBQDKBXPFAVGFF-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)NC(=O)NC1CC1 ZINC001187664547 790482413 /nfs/dbraw/zinc/48/24/13/790482413.db2.gz RIEVHDYCCYATPP-LLVKDONJSA-N 1 0 335.368 -1.543 20 0 EAADRO O=C(Cn1cncn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001187664851 790482639 /nfs/dbraw/zinc/48/26/39/790482639.db2.gz WPLDHIJWYJHSEU-OLZOCXBDSA-N 1 0 336.396 -1.548 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664857 790481029 /nfs/dbraw/zinc/48/10/29/790481029.db2.gz WTQGTUWVYSAFRU-GFCCVEGCSA-N 1 0 344.441 -1.202 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001187667223 790482187 /nfs/dbraw/zinc/48/21/87/790482187.db2.gz MZVBGBLSVMZART-UONOGXRCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001187667573 790482696 /nfs/dbraw/zinc/48/26/96/790482696.db2.gz PSGGQLZOSKMRMB-BFHYXJOUSA-N 1 0 343.424 -1.321 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001187667575 790482210 /nfs/dbraw/zinc/48/22/10/790482210.db2.gz PSGGQLZOSKMRMB-MELADBBJSA-N 1 0 343.424 -1.321 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001187668278 790482078 /nfs/dbraw/zinc/48/20/78/790482078.db2.gz WDRDDCXYFTWVFM-NWDGAFQWSA-N 1 0 346.453 -1.453 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCCCC2=O)C1 ZINC001187671097 790482342 /nfs/dbraw/zinc/48/23/42/790482342.db2.gz AJRHPNWMEKPIIS-LLVKDONJSA-N 1 0 339.396 -1.226 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671099 790482495 /nfs/dbraw/zinc/48/24/95/790482495.db2.gz AOGNAQWXMPSGCQ-LLVKDONJSA-N 1 0 339.396 -1.499 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671147 790482393 /nfs/dbraw/zinc/48/23/93/790482393.db2.gz BFYQFHMQSLOYAB-LLVKDONJSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671203 790481098 /nfs/dbraw/zinc/48/10/98/790481098.db2.gz CDAUBQPGBWESMZ-NXEZZACHSA-N 1 0 325.369 -1.795 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671206 790480828 /nfs/dbraw/zinc/48/08/28/790480828.db2.gz CDAUBQPGBWESMZ-VHSXEESVSA-N 1 0 325.369 -1.795 20 0 EAADRO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001187671218 790482602 /nfs/dbraw/zinc/48/26/02/790482602.db2.gz CGRNVNOMCHMSCG-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001187671221 790481062 /nfs/dbraw/zinc/48/10/62/790481062.db2.gz CGRNVNOMCHMSCG-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001187671255 790481487 /nfs/dbraw/zinc/48/14/87/790481487.db2.gz DFVTXZGDEBNOPB-MRVPVSSYSA-N 1 0 340.340 -2.734 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C1CC1 ZINC001187671372 790481679 /nfs/dbraw/zinc/48/16/79/790481679.db2.gz HINCSYLSHXTBIK-SNVBAGLBSA-N 1 0 337.380 -1.651 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1=O ZINC001187671373 790482015 /nfs/dbraw/zinc/48/20/15/790482015.db2.gz HKSFYFDXMNBVKB-LLVKDONJSA-N 1 0 337.380 -1.651 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671374 790482058 /nfs/dbraw/zinc/48/20/58/790482058.db2.gz HPBIAHZGLSYALX-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671375 790481138 /nfs/dbraw/zinc/48/11/38/790481138.db2.gz HPBIAHZGLSYALX-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671381 790481044 /nfs/dbraw/zinc/48/10/44/790481044.db2.gz HXRWHAJXIXOJNP-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671393 790481154 /nfs/dbraw/zinc/48/11/54/790481154.db2.gz ITGYFLVHKYSLNK-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001187671405 790481502 /nfs/dbraw/zinc/48/15/02/790481502.db2.gz JJASRGYWJJQODM-LLVKDONJSA-N 1 0 337.380 -1.745 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671419 790481959 /nfs/dbraw/zinc/48/19/59/790481959.db2.gz JWPCGCSNOQLUCO-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671425 790481658 /nfs/dbraw/zinc/48/16/58/790481658.db2.gz KJKXHTLDSLDUCB-SNVBAGLBSA-N 1 0 325.369 -1.841 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671575 790481821 /nfs/dbraw/zinc/48/18/21/790481821.db2.gz LIXZHRAGPUPPLI-LLVKDONJSA-N 1 0 339.396 -1.405 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671579 790481414 /nfs/dbraw/zinc/48/14/14/790481414.db2.gz LKRIJOYOVLEAKT-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671594 790481314 /nfs/dbraw/zinc/48/13/14/790481314.db2.gz LZHXWFKMWBZTFX-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671595 790481736 /nfs/dbraw/zinc/48/17/36/790481736.db2.gz LZHXWFKMWBZTFX-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671608 790480793 /nfs/dbraw/zinc/48/07/93/790480793.db2.gz MLAXNVZNDAVDSO-SECBINFHSA-N 1 0 347.397 -2.722 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671636 790481559 /nfs/dbraw/zinc/48/15/59/790481559.db2.gz OAUMKXBTPPZPQH-GFCCVEGCSA-N 1 0 342.396 -1.266 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671667 790482226 /nfs/dbraw/zinc/48/22/26/790482226.db2.gz PJNUZVHXLAOXIC-SECBINFHSA-N 1 0 332.382 -2.227 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)NCC1CC1 ZINC001187671668 790481802 /nfs/dbraw/zinc/48/18/02/790481802.db2.gz PPSUSKMHYMBYBQ-LLVKDONJSA-N 1 0 337.380 -1.745 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671694 790481014 /nfs/dbraw/zinc/48/10/14/790481014.db2.gz QNGLXYMQYNWCQC-SNVBAGLBSA-N 1 0 325.369 -1.747 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671697 790481451 /nfs/dbraw/zinc/48/14/51/790481451.db2.gz QOHCKKQVGZEKEE-SNVBAGLBSA-N 1 0 346.409 -1.837 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671698 790482458 /nfs/dbraw/zinc/48/24/58/790482458.db2.gz QQGCRTDBSSBFFE-LLVKDONJSA-N 1 0 328.369 -1.608 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1)C(=O)N(C)C ZINC001187671728 790481532 /nfs/dbraw/zinc/48/15/32/790481532.db2.gz SRTNMTYRPPANIX-GHMZBOCLSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1)C(=O)N(C)C ZINC001187671729 790481920 /nfs/dbraw/zinc/48/19/20/790481920.db2.gz SRTNMTYRPPANIX-WDEREUQCSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(=O)NC(N)=O ZINC001187671737 790481255 /nfs/dbraw/zinc/48/12/55/790481255.db2.gz TUPDPVGDYDVAMT-HTQZYQBOSA-N 1 0 340.340 -2.688 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(=O)NC(N)=O ZINC001187671738 790482466 /nfs/dbraw/zinc/48/24/66/790482466.db2.gz TUPDPVGDYDVAMT-JGVFFNPUSA-N 1 0 340.340 -2.688 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671741 790481397 /nfs/dbraw/zinc/48/13/97/790481397.db2.gz TXJKKAKOVJIBNI-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671755 790482591 /nfs/dbraw/zinc/48/25/91/790482591.db2.gz UPUICTSAGYAVDU-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(=O)N(C)C ZINC001187671757 790480950 /nfs/dbraw/zinc/48/09/50/790480950.db2.gz UUEJEXZYRNDZFK-NXEZZACHSA-N 1 0 325.369 -1.795 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(=O)N(C)C ZINC001187671758 790481941 /nfs/dbraw/zinc/48/19/41/790481941.db2.gz UUEJEXZYRNDZFK-VHSXEESVSA-N 1 0 325.369 -1.795 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1=O ZINC001187671824 790481568 /nfs/dbraw/zinc/48/15/68/790481568.db2.gz YMXXGTQYZWYDDU-LLVKDONJSA-N 1 0 328.369 -1.920 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1=O ZINC001187671842 790482273 /nfs/dbraw/zinc/48/22/73/790482273.db2.gz ZIJGHRLKUXSMOP-SNVBAGLBSA-N 1 0 346.409 -1.885 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671843 790481644 /nfs/dbraw/zinc/48/16/44/790481644.db2.gz ZIQNOSIQKNFVDC-MRVPVSSYSA-N 1 0 340.340 -2.816 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671844 790482558 /nfs/dbraw/zinc/48/25/58/790482558.db2.gz ZLBXYZWGXNOAGL-SSDOTTSWSA-N 1 0 326.313 -3.076 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(=O)NC1CC1 ZINC001187671845 790481699 /nfs/dbraw/zinc/48/16/99/790481699.db2.gz ZLDGTJSOOYKJOP-GXSJLCMTSA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(=O)NC1CC1 ZINC001187671846 790481607 /nfs/dbraw/zinc/48/16/07/790481607.db2.gz ZLDGTJSOOYKJOP-MWLCHTKSSA-N 1 0 337.380 -1.604 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671857 790481458 /nfs/dbraw/zinc/48/14/58/790481458.db2.gz ZWIXUEFJEIFKQN-GHMZBOCLSA-N 1 0 328.369 -1.922 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001187671858 790482484 /nfs/dbraw/zinc/48/24/84/790482484.db2.gz ZWIXUEFJEIFKQN-MNOVXSKESA-N 1 0 328.369 -1.922 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001187673832 790481617 /nfs/dbraw/zinc/48/16/17/790481617.db2.gz KASMOTQWSQHDFH-NWDGAFQWSA-N 1 0 336.392 -1.196 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001187674370 790481266 /nfs/dbraw/zinc/48/12/66/790481266.db2.gz MBQYTDVPYSLJEP-WDEREUQCSA-N 1 0 337.380 -1.793 20 0 EAADRO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001187675460 790481327 /nfs/dbraw/zinc/48/13/27/790481327.db2.gz 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CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187676944 790481993 /nfs/dbraw/zinc/48/19/93/790481993.db2.gz IZNUWPFHVFFSMY-GHMZBOCLSA-N 1 0 339.396 -1.310 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187676945 790484273 /nfs/dbraw/zinc/48/42/73/790484273.db2.gz IZNUWPFHVFFSMY-MNOVXSKESA-N 1 0 339.396 -1.310 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187676959 790483223 /nfs/dbraw/zinc/48/32/23/790483223.db2.gz JVUCQKBCRMCXSN-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187676960 790483295 /nfs/dbraw/zinc/48/32/95/790483295.db2.gz JVUCQKBCRMCXSN-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187677236 790483318 /nfs/dbraw/zinc/48/33/18/790483318.db2.gz NOLBWWUOPNGJFJ-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187677237 790484073 /nfs/dbraw/zinc/48/40/73/790484073.db2.gz NOLBWWUOPNGJFJ-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1)NC1CC1 ZINC001187677583 790484297 /nfs/dbraw/zinc/48/42/97/790484297.db2.gz RFHCHBMCKABAQA-GHMZBOCLSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1)NC1CC1 ZINC001187677584 790484754 /nfs/dbraw/zinc/48/47/54/790484754.db2.gz RFHCHBMCKABAQA-MNOVXSKESA-N 1 0 337.380 -1.556 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187677653 790484503 /nfs/dbraw/zinc/48/45/03/790484503.db2.gz UCNQYHXCMOLMIJ-NXEZZACHSA-N 1 0 346.409 -1.790 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187677655 790483200 /nfs/dbraw/zinc/48/32/00/790483200.db2.gz UCNQYHXCMOLMIJ-ZJUUUORDSA-N 1 0 346.409 -1.790 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187677746 790483242 /nfs/dbraw/zinc/48/32/42/790483242.db2.gz VQHLRASZAVIZNR-HTQZYQBOSA-N 1 0 340.340 -2.640 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187677750 790483872 /nfs/dbraw/zinc/48/38/72/790483872.db2.gz VQHLRASZAVIZNR-SFYZADRCSA-N 1 0 340.340 -2.640 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1)C(=O)N(C)C ZINC001187683988 790484581 /nfs/dbraw/zinc/48/45/81/790484581.db2.gz BIDPPEHWRGWAQC-NXEZZACHSA-N 1 0 334.380 -1.144 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1)C(=O)N(C)C ZINC001187683990 790484284 /nfs/dbraw/zinc/48/42/84/790484284.db2.gz BIDPPEHWRGWAQC-VHSXEESVSA-N 1 0 334.380 -1.144 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001187684077 790483979 /nfs/dbraw/zinc/48/39/79/790483979.db2.gz DDFYVHTYRVTGKL-LLVKDONJSA-N 1 0 346.391 -1.094 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001187684116 790483909 /nfs/dbraw/zinc/48/39/09/790483909.db2.gz FXCDDPJCRUMIBN-SNVBAGLBSA-N 1 0 332.364 -1.342 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1)C(=O)NC(N)=O ZINC001187684244 790484128 /nfs/dbraw/zinc/48/41/28/790484128.db2.gz IVWCOUBEZCKPPA-HTQZYQBOSA-N 1 0 349.351 -2.037 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1)C(=O)NC(N)=O ZINC001187684248 790483857 /nfs/dbraw/zinc/48/38/57/790483857.db2.gz IVWCOUBEZCKPPA-JGVFFNPUSA-N 1 0 349.351 -2.037 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187684444 790483416 /nfs/dbraw/zinc/48/34/16/790483416.db2.gz KYMUDAAIVJKNOY-NEPJUHHUSA-N 1 0 342.396 -1.172 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187684445 790483801 /nfs/dbraw/zinc/48/38/01/790483801.db2.gz KYMUDAAIVJKNOY-VXGBXAGGSA-N 1 0 342.396 -1.172 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187684484 790483899 /nfs/dbraw/zinc/48/38/99/790483899.db2.gz NCBWCNVRHYHLTK-GHMZBOCLSA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187684485 790484151 /nfs/dbraw/zinc/48/41/51/790484151.db2.gz NCBWCNVRHYHLTK-MNOVXSKESA-N 1 0 328.369 -1.826 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187684536 790483968 /nfs/dbraw/zinc/48/39/68/790483968.db2.gz OYCKQEQHBVEAPQ-GMTAPVOTSA-N 1 0 328.369 -1.828 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187684538 790484001 /nfs/dbraw/zinc/48/40/01/790484001.db2.gz OYCKQEQHBVEAPQ-MXWKQRLJSA-N 1 0 328.369 -1.828 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187684539 790484673 /nfs/dbraw/zinc/48/46/73/790484673.db2.gz OYCKQEQHBVEAPQ-OUAUKWLOSA-N 1 0 328.369 -1.828 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001187684541 790484495 /nfs/dbraw/zinc/48/44/95/790484495.db2.gz OYCKQEQHBVEAPQ-VWYCJHECSA-N 1 0 328.369 -1.828 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001187684766 790483784 /nfs/dbraw/zinc/48/37/84/790483784.db2.gz QXCGLQAFYDZGSO-MRVPVSSYSA-N 1 0 349.351 -2.165 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001187684943 790484851 /nfs/dbraw/zinc/48/48/51/790484851.db2.gz UZSSHBSPWYURCG-SNVBAGLBSA-N 1 0 334.380 -1.096 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001187684962 790483267 /nfs/dbraw/zinc/48/32/67/790483267.db2.gz VQNKAHNAZUDYEF-SSDOTTSWSA-N 1 0 335.324 -2.426 20 0 EAADRO NC(=O)c1nccnc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001187684966 790484308 /nfs/dbraw/zinc/48/43/08/790484308.db2.gz VTQVPUAQCLBUTF-LLVKDONJSA-N 1 0 346.391 -1.094 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001187685016 790484621 /nfs/dbraw/zinc/48/46/21/790484621.db2.gz XLMZDJUFFDRUOC-SECBINFHSA-N 1 0 341.393 -1.576 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001187685131 790484601 /nfs/dbraw/zinc/48/46/01/790484601.db2.gz XYLNCVGWMZAXAG-SNVBAGLBSA-N 1 0 334.380 -1.142 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001187685144 790484237 /nfs/dbraw/zinc/48/42/37/790484237.db2.gz YPIPCSPIVDOOQP-SNVBAGLBSA-N 1 0 334.380 -1.094 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001187689923 790484772 /nfs/dbraw/zinc/48/47/72/790484772.db2.gz CNPNQUVKCKRCAD-SDDRHHMPSA-N 1 0 338.412 -1.399 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)NCC1CC1 ZINC001187691525 790483682 /nfs/dbraw/zinc/48/36/82/790483682.db2.gz AGZSIXKQJZYXMY-GFCCVEGCSA-N 1 0 336.392 -1.148 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001187691527 790483387 /nfs/dbraw/zinc/48/33/87/790483387.db2.gz AHPJNKQEYVSNHO-SECBINFHSA-N 1 0 339.352 -2.219 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1)CS(C)(=O)=O ZINC001187691567 790484333 /nfs/dbraw/zinc/48/43/33/790484333.db2.gz BZDKWFBSOMWNTI-GHMZBOCLSA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1)CS(C)(=O)=O ZINC001187691569 790483595 /nfs/dbraw/zinc/48/35/95/790483595.db2.gz BZDKWFBSOMWNTI-WDEREUQCSA-N 1 0 334.442 -1.084 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001187691590 790484063 /nfs/dbraw/zinc/48/40/63/790484063.db2.gz CSBMIVVZELFPHM-GFCCVEGCSA-N 1 0 327.381 -1.011 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001187691605 790484358 /nfs/dbraw/zinc/48/43/58/790484358.db2.gz CZQAUYHUEVJWHH-NWDGAFQWSA-N 1 0 341.412 -1.612 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001187691608 790484655 /nfs/dbraw/zinc/48/46/55/790484655.db2.gz CZQAUYHUEVJWHH-VXGBXAGGSA-N 1 0 341.412 -1.612 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187691869 790483136 /nfs/dbraw/zinc/48/31/36/790483136.db2.gz HKUKITMLNVGKJZ-SNVBAGLBSA-N 1 0 335.430 -1.825 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001187691912 790484630 /nfs/dbraw/zinc/48/46/30/790484630.db2.gz JLKAAYCLKFFODJ-SNVBAGLBSA-N 1 0 325.369 -1.616 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001187692023 790484102 /nfs/dbraw/zinc/48/41/02/790484102.db2.gz KGGTVRMZIKRJBE-GFCCVEGCSA-N 1 0 336.392 -1.148 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001187692132 790483991 /nfs/dbraw/zinc/48/39/91/790483991.db2.gz NTQMKGCODJSTFN-SNVBAGLBSA-N 1 0 331.394 -1.630 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187692157 790483752 /nfs/dbraw/zinc/48/37/52/790483752.db2.gz NVGGEIKUOKRBRR-DTWKUNHWSA-N 1 0 328.373 -1.921 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187692158 790484161 /nfs/dbraw/zinc/48/41/61/790484161.db2.gz NVGGEIKUOKRBRR-RKDXNWHRSA-N 1 0 328.373 -1.921 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C1CC1 ZINC001187692259 790484734 /nfs/dbraw/zinc/48/47/34/790484734.db2.gz SKPWDULPVKSVTO-LLVKDONJSA-N 1 0 336.392 -1.053 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001187692360 790483456 /nfs/dbraw/zinc/48/34/56/790483456.db2.gz UBXIGNOOUYBBPS-MRVPVSSYSA-N 1 0 325.325 -2.479 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187692467 790484340 /nfs/dbraw/zinc/48/43/40/790484340.db2.gz XXGRNARODFCKNV-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187692468 790484400 /nfs/dbraw/zinc/48/44/00/790484400.db2.gz XXGRNARODFCKNV-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(=O)NC(N)=O ZINC001187698273 790484424 /nfs/dbraw/zinc/48/44/24/790484424.db2.gz BJRCJRMDMMCUFH-DTWKUNHWSA-N 1 0 339.352 -2.091 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(=O)NC(N)=O ZINC001187698276 790483888 /nfs/dbraw/zinc/48/38/88/790483888.db2.gz BJRCJRMDMMCUFH-RKDXNWHRSA-N 1 0 339.352 -2.091 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001187698278 790484695 /nfs/dbraw/zinc/48/46/95/790484695.db2.gz BKHOSYJZNYKMBK-MRVPVSSYSA-N 1 0 339.318 -1.086 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001187698288 790484567 /nfs/dbraw/zinc/48/45/67/790484567.db2.gz BMKTTYOLFFHBBK-LLVKDONJSA-N 1 0 347.441 -1.729 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698318 790483844 /nfs/dbraw/zinc/48/38/44/790483844.db2.gz CAZNLUVTUPSSIM-LLVKDONJSA-N 1 0 329.401 -1.612 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001187698325 790483821 /nfs/dbraw/zinc/48/38/21/790483821.db2.gz CGWFZSGSVQMHDI-SNVBAGLBSA-N 1 0 340.384 -2.806 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698344 790484320 /nfs/dbraw/zinc/48/43/20/790484320.db2.gz CHBOSGTYZNRSAQ-NXEZZACHSA-N 1 0 342.400 -1.531 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698346 790484681 /nfs/dbraw/zinc/48/46/81/790484681.db2.gz CHBOSGTYZNRSAQ-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698430 790483930 /nfs/dbraw/zinc/48/39/30/790483930.db2.gz FHRZTZBAIAOLFC-LLVKDONJSA-N 1 0 349.457 -1.435 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001187698541 790484766 /nfs/dbraw/zinc/48/47/66/790484766.db2.gz GAYCXCRHGVEYFO-CHWSQXEVSA-N 1 0 349.391 -1.417 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001187698542 790484181 /nfs/dbraw/zinc/48/41/81/790484181.db2.gz GAYCXCRHGVEYFO-OLZOCXBDSA-N 1 0 349.391 -1.417 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001187698586 790484592 /nfs/dbraw/zinc/48/45/92/790484592.db2.gz HPCYMGMCAIVQJA-LLVKDONJSA-N 1 0 345.421 -1.239 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1)S(C)(=O)=O ZINC001187698603 790484473 /nfs/dbraw/zinc/48/44/73/790484473.db2.gz IIPLYVPBFZBIRF-SNVBAGLBSA-N 1 0 335.430 -1.873 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698766 790484817 /nfs/dbraw/zinc/48/48/17/790484817.db2.gz LENWXXODLBCZGP-SNVBAGLBSA-N 1 0 342.400 -1.529 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001187698769 790483096 /nfs/dbraw/zinc/48/30/96/790483096.db2.gz LKLFFTFNANCVMI-SNVBAGLBSA-N 1 0 335.368 -1.336 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001187698956 790484044 /nfs/dbraw/zinc/48/40/44/790484044.db2.gz PTGRUPJYLYOILQ-SNVBAGLBSA-N 1 0 346.409 -2.125 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001187699035 790484137 /nfs/dbraw/zinc/48/41/37/790484137.db2.gz QXXVSJIVZJEYLR-NEPJUHHUSA-N 1 0 341.412 -1.781 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187699043 790484541 /nfs/dbraw/zinc/48/45/41/790484541.db2.gz QZGZUXFYNRSXKC-SECBINFHSA-N 1 0 328.373 -1.919 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(=O)NC1CC1 ZINC001187699098 790483611 /nfs/dbraw/zinc/48/36/11/790483611.db2.gz RXDIJMAATKTWJS-CMPLNLGQSA-N 1 0 336.392 -1.007 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(=O)NC1CC1 ZINC001187699099 790483703 /nfs/dbraw/zinc/48/37/03/790483703.db2.gz RXDIJMAATKTWJS-ZYHUDNBSSA-N 1 0 336.392 -1.007 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)Nc1ccon1 ZINC001187699108 790484438 /nfs/dbraw/zinc/48/44/38/790484438.db2.gz SUHZPGMSCWIESM-SNVBAGLBSA-N 1 0 349.347 -1.047 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001187699135 790486264 /nfs/dbraw/zinc/48/62/64/790486264.db2.gz UXWSYSYHWCYLSV-NEPJUHHUSA-N 1 0 341.412 -1.470 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001187699136 790486882 /nfs/dbraw/zinc/48/68/82/790486882.db2.gz UXWSYSYHWCYLSV-VXGBXAGGSA-N 1 0 341.412 -1.470 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001187699137 790486105 /nfs/dbraw/zinc/48/61/05/790486105.db2.gz VBRROMANDSQROR-MRVPVSSYSA-N 1 0 341.397 -1.275 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001187699139 790486926 /nfs/dbraw/zinc/48/69/26/790486926.db2.gz VDMKMKYYRDGMJJ-SNVBAGLBSA-N 1 0 340.384 -1.777 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001187699151 790486960 /nfs/dbraw/zinc/48/69/60/790486960.db2.gz VVTXQGQCCBVNHR-LLVKDONJSA-N 1 0 327.385 -1.906 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001187699159 790485476 /nfs/dbraw/zinc/48/54/76/790485476.db2.gz WNJUACVMRYTFIA-GFCCVEGCSA-N 1 0 341.412 -1.470 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187699318 790486985 /nfs/dbraw/zinc/48/69/85/790486985.db2.gz ZDOYZWYYLYUNMW-LLVKDONJSA-N 1 0 329.401 -1.612 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001187699319 790487180 /nfs/dbraw/zinc/48/71/80/790487180.db2.gz ZDZDCMCIHFUOEK-CYBMUJFWSA-N 1 0 348.407 -1.053 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187703417 790485642 /nfs/dbraw/zinc/48/56/42/790485642.db2.gz APUKCLKRPMEFAL-LLVKDONJSA-N 1 0 328.417 -1.057 20 0 EAADRO NC(=O)N1CCC(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001187703520 790487118 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790485636 /nfs/dbraw/zinc/48/56/36/790485636.db2.gz RRJAYOBODHBDGO-NEPJUHHUSA-N 1 0 332.401 -1.741 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187704444 790485496 /nfs/dbraw/zinc/48/54/96/790485496.db2.gz RRJAYOBODHBDGO-VXGBXAGGSA-N 1 0 332.401 -1.741 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187704459 790486223 /nfs/dbraw/zinc/48/62/23/790486223.db2.gz SKJLSQKEMCYSCK-LLVKDONJSA-N 1 0 349.457 -1.483 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001187704727 790486799 /nfs/dbraw/zinc/48/67/99/790486799.db2.gz WQLBQOKTHJSZFM-SECBINFHSA-N 1 0 326.357 -2.213 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001187710866 790486570 /nfs/dbraw/zinc/48/65/70/790486570.db2.gz AVHIMSZODFSAFP-GFCCVEGCSA-N 1 0 349.395 -1.199 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001187710871 790486699 /nfs/dbraw/zinc/48/66/99/790486699.db2.gz AYDZPFWKGFPXPH-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1)C(N)=O ZINC001187710964 790486889 /nfs/dbraw/zinc/48/68/89/790486889.db2.gz DMOSTUAXBMULFN-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1)C(N)=O ZINC001187710965 790485673 /nfs/dbraw/zinc/48/56/73/790485673.db2.gz DMOSTUAXBMULFN-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187711359 790485519 /nfs/dbraw/zinc/48/55/19/790485519.db2.gz MHBBAZLJCQHQNH-GFCCVEGCSA-N 1 0 342.396 -1.482 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1)C(N)=O ZINC001187711432 790486897 /nfs/dbraw/zinc/48/68/97/790486897.db2.gz NYQSJKVTOOOKEX-NXEZZACHSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1)C(N)=O ZINC001187711434 790486871 /nfs/dbraw/zinc/48/68/71/790486871.db2.gz NYQSJKVTOOOKEX-VHSXEESVSA-N 1 0 325.369 -1.617 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001187711608 790486657 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-1.355 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001187720099 790486865 /nfs/dbraw/zinc/48/68/65/790486865.db2.gz GUZGSAFBKSJTTN-NWDGAFQWSA-N 1 0 349.391 -1.117 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001187720100 790487163 /nfs/dbraw/zinc/48/71/63/790487163.db2.gz GUZGSAFBKSJTTN-VXGBXAGGSA-N 1 0 349.391 -1.117 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001187720118 790487012 /nfs/dbraw/zinc/48/70/12/790487012.db2.gz HLDOSHXSFKMYFQ-LLVKDONJSA-N 1 0 335.364 -1.506 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001187720303 790485884 /nfs/dbraw/zinc/48/58/84/790485884.db2.gz KWZAVXYZTSDGMS-GHMZBOCLSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001187720304 790486844 /nfs/dbraw/zinc/48/68/44/790486844.db2.gz KWZAVXYZTSDGMS-MNOVXSKESA-N 1 0 337.380 -1.603 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001187720482 790486857 /nfs/dbraw/zinc/48/68/57/790486857.db2.gz UXLLTPXQLAIOPV-GFCCVEGCSA-N 1 0 349.391 -1.116 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1)C(=O)NC(N)=O ZINC001187720487 790485412 /nfs/dbraw/zinc/48/54/12/790485412.db2.gz VCECTJYUWLMZFG-GHMZBOCLSA-N 1 0 335.364 -1.378 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1)C(=O)NC(N)=O ZINC001187720488 790486553 /nfs/dbraw/zinc/48/65/53/790486553.db2.gz VCECTJYUWLMZFG-WDEREUQCSA-N 1 0 335.364 -1.378 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001187720533 790485598 /nfs/dbraw/zinc/48/55/98/790485598.db2.gz VUSSFMAFEHNBQU-LLVKDONJSA-N 1 0 349.395 -1.162 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001187720571 790486751 /nfs/dbraw/zinc/48/67/51/790486751.db2.gz WSBDFGFGJGEJTC-GFCCVEGCSA-N 1 0 342.421 -1.412 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)cc2)C1 ZINC001187742955 790486419 /nfs/dbraw/zinc/48/64/19/790486419.db2.gz BIOGFKJZSKZTPG-LLVKDONJSA-N 1 0 333.348 -1.216 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001187743265 790486827 /nfs/dbraw/zinc/48/68/27/790486827.db2.gz GTXVEUGSSUWKIX-SECBINFHSA-N 1 0 331.336 -1.043 20 0 EAADRO Cc1csc(=O)n1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187750993 790488812 /nfs/dbraw/zinc/48/88/12/790488812.db2.gz VNDUDKCLUHWPPX-SECBINFHSA-N 1 0 341.393 -1.396 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1)C(=O)NC(N)=O ZINC001187756528 790488890 /nfs/dbraw/zinc/48/88/90/790488890.db2.gz QJQZXWOQFNVIHB-NXEZZACHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1)C(=O)NC(N)=O ZINC001187756529 790488470 /nfs/dbraw/zinc/48/84/70/790488470.db2.gz QJQZXWOQFNVIHB-VHSXEESVSA-N 1 0 341.412 -1.077 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC001187779995 790486281 /nfs/dbraw/zinc/48/62/81/790486281.db2.gz FPMZNNHOWCGERB-SNVBAGLBSA-N 1 0 341.412 -1.205 20 0 EAADRO Cn1[nH]c(CN[C@@H]2CCN(C(=O)CNC(=O)C(C)(C)C)C2)nc1=O ZINC001187780529 790488695 /nfs/dbraw/zinc/48/86/95/790488695.db2.gz NMTHCAUQSMRQCU-SNVBAGLBSA-N 1 0 338.412 -1.039 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001187786671 790488903 /nfs/dbraw/zinc/48/89/03/790488903.db2.gz FCYJESRQULYLAY-GXSJLCMTSA-N 1 0 335.368 -1.361 20 0 EAADRO CCn1ncc(C(=O)N2CC[C@H]3CN(CC(=O)NC(=O)NC)C[C@H]32)n1 ZINC001187786687 790488849 /nfs/dbraw/zinc/48/88/49/790488849.db2.gz FGWDILBMEAZIPO-CMPLNLGQSA-N 1 0 349.395 -1.100 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001187786747 790489368 /nfs/dbraw/zinc/48/93/68/790489368.db2.gz FZTOLTYROKBYNA-RWMBFGLXSA-N 1 0 328.413 -1.155 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001187786754 790489320 /nfs/dbraw/zinc/48/93/20/790489320.db2.gz FZTOLTYROKBYNA-YNEHKIRRSA-N 1 0 328.413 -1.155 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001187788208 790489146 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CNC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001187794456 790489267 /nfs/dbraw/zinc/48/92/67/790489267.db2.gz HQFXXLURWUNOFJ-SDDRHHMPSA-N 1 0 325.413 -1.027 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187794691 790488559 /nfs/dbraw/zinc/48/85/59/790488559.db2.gz JTZVFEPVLNICEE-QWHCGFSZSA-N 1 0 328.413 -1.153 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(=O)NC1CC1 ZINC001187796296 790489001 /nfs/dbraw/zinc/48/90/01/790489001.db2.gz CIAYNJXZPBSPBD-GXSJLCMTSA-N 1 0 349.391 -1.043 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(=O)NC1CC1 ZINC001187796297 790489018 /nfs/dbraw/zinc/48/90/18/790489018.db2.gz CIAYNJXZPBSPBD-MWLCHTKSSA-N 1 0 349.391 -1.043 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001187796620 790489099 /nfs/dbraw/zinc/48/90/99/790489099.db2.gz JRJQUUPBNIFTMG-LLVKDONJSA-N 1 0 340.380 -1.047 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)c(=O)[nH]c1=O 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-1.038 20 0 EAADRO Cc1nccn1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187851032 790490691 /nfs/dbraw/zinc/49/06/91/790490691.db2.gz MFXJRXNAAVPMPQ-GFCCVEGCSA-N 1 0 329.426 -1.069 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001187851957 790490389 /nfs/dbraw/zinc/49/03/89/790490389.db2.gz XAILHDBQFXJBKE-SECBINFHSA-N 1 0 336.352 -1.627 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1)C(=O)NC(N)=O ZINC001187860217 790490723 /nfs/dbraw/zinc/49/07/23/790490723.db2.gz QOLNPHDMOBJOJP-IONNQARKSA-N 1 0 336.352 -1.499 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1)C(=O)NC(N)=O ZINC001187860218 790490510 /nfs/dbraw/zinc/49/05/10/790490510.db2.gz QOLNPHDMOBJOJP-VXNVDRBHSA-N 1 0 336.352 -1.499 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001187860445 790491826 /nfs/dbraw/zinc/49/18/26/790491826.db2.gz WDCCUOZRHXNOEI-SNVBAGLBSA-N 1 0 343.409 -1.533 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887469 790495025 /nfs/dbraw/zinc/49/50/25/790495025.db2.gz ATJMLRKNKJMMBI-NXEZZACHSA-N 1 0 339.439 -2.087 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887470 790494770 /nfs/dbraw/zinc/49/47/70/790494770.db2.gz ATJMLRKNKJMMBI-ZJUUUORDSA-N 1 0 339.439 -2.087 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887486 790494949 /nfs/dbraw/zinc/49/49/49/790494949.db2.gz BWMPJZUSYOBUDI-GHMZBOCLSA-N 1 0 332.426 -1.607 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887487 790494867 /nfs/dbraw/zinc/49/48/67/790494867.db2.gz BWMPJZUSYOBUDI-MNOVXSKESA-N 1 0 332.426 -1.607 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001187887520 790494328 /nfs/dbraw/zinc/49/43/28/790494328.db2.gz DMIUMGXWJGBMPM-NEPJUHHUSA-N 1 0 344.437 -1.605 20 0 EAADRO O=C(NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001187887521 790494961 /nfs/dbraw/zinc/49/49/61/790494961.db2.gz DMIUMGXWJGBMPM-VXGBXAGGSA-N 1 0 344.437 -1.605 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1)NC1CC1 ZINC001187887535 790495173 /nfs/dbraw/zinc/49/51/73/790495173.db2.gz FCWCBOHFKWXXNR-GHMZBOCLSA-N 1 0 330.410 -1.853 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)NC1CC1 ZINC001187887536 790495684 /nfs/dbraw/zinc/49/56/84/790495684.db2.gz FCWCBOHFKWXXNR-MNOVXSKESA-N 1 0 330.410 -1.853 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)NCC1CC1 ZINC001187887565 790494554 /nfs/dbraw/zinc/49/45/54/790494554.db2.gz FUNPNSCMIYZXPQ-NEPJUHHUSA-N 1 0 344.437 -1.605 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1)NCC1CC1 ZINC001187887566 790494885 /nfs/dbraw/zinc/49/48/85/790494885.db2.gz FUNPNSCMIYZXPQ-VXGBXAGGSA-N 1 0 344.437 -1.605 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887590 790495560 /nfs/dbraw/zinc/49/55/60/790495560.db2.gz GNUBSYPSFHTUCL-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887591 790494524 /nfs/dbraw/zinc/49/45/24/790494524.db2.gz GNUBSYPSFHTUCL-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887604 790495014 /nfs/dbraw/zinc/49/50/14/790495014.db2.gz HBPWEYWQZQPVNA-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887605 790494576 /nfs/dbraw/zinc/49/45/76/790494576.db2.gz HBPWEYWQZQPVNA-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887606 790495345 /nfs/dbraw/zinc/49/53/45/790495345.db2.gz HCCPHGLOWXEQQQ-HTQZYQBOSA-N 1 0 333.370 -2.937 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887607 790495064 /nfs/dbraw/zinc/49/50/64/790495064.db2.gz HCCPHGLOWXEQQQ-SFYZADRCSA-N 1 0 333.370 -2.937 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001187887608 790495567 /nfs/dbraw/zinc/49/55/67/790495567.db2.gz HDAACLWESQHGNN-PWSUYJOCSA-N 1 0 344.437 -1.511 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1)C1CC1 ZINC001187887609 790494851 /nfs/dbraw/zinc/49/48/51/790494851.db2.gz HDAACLWESQHGNN-ZYHUDNBSSA-N 1 0 344.437 -1.511 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1)C(=O)NC(N)=O ZINC001187887611 790494910 /nfs/dbraw/zinc/49/49/10/790494910.db2.gz HILPWRLZJZOVGQ-GZMMTYOYSA-N 1 0 348.363 -1.432 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1)C(=O)NC(N)=O ZINC001187887612 790495788 /nfs/dbraw/zinc/49/57/88/790495788.db2.gz HILPWRLZJZOVGQ-LDYMZIIASA-N 1 0 348.363 -1.432 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887640 790495480 /nfs/dbraw/zinc/49/54/80/790495480.db2.gz IQYXTBHRKUKAGA-NEPJUHHUSA-N 1 0 346.453 -1.265 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887641 790495808 /nfs/dbraw/zinc/49/58/08/790495808.db2.gz IQYXTBHRKUKAGA-VXGBXAGGSA-N 1 0 346.453 -1.265 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887661 790495533 /nfs/dbraw/zinc/49/55/33/790495533.db2.gz JVPHCBWWNGEZQL-GHMZBOCLSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887662 790495406 /nfs/dbraw/zinc/49/54/06/790495406.db2.gz JVPHCBWWNGEZQL-MNOVXSKESA-N 1 0 346.453 -1.217 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887664 790494971 /nfs/dbraw/zinc/49/49/71/790494971.db2.gz JXBVQXWUKAFDPF-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887665 790494985 /nfs/dbraw/zinc/49/49/85/790494985.db2.gz JXBVQXWUKAFDPF-MNOVXSKESA-N 1 0 332.426 -1.605 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887684 790494349 /nfs/dbraw/zinc/49/43/49/790494349.db2.gz KSZHBLWASUFNFU-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887685 790495596 /nfs/dbraw/zinc/49/55/96/790495596.db2.gz KSZHBLWASUFNFU-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887809 790495246 /nfs/dbraw/zinc/49/52/46/790495246.db2.gz PRNRLFSDHZWSJX-NEPJUHHUSA-N 1 0 335.426 -1.468 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887810 790498376 /nfs/dbraw/zinc/49/83/76/790498376.db2.gz PRNRLFSDHZWSJX-VXGBXAGGSA-N 1 0 335.426 -1.468 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC001187887875 790496603 /nfs/dbraw/zinc/49/66/03/790496603.db2.gz RYQDXBYYJFGKNJ-LLVKDONJSA-N 1 0 348.363 -1.560 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887893 790496382 /nfs/dbraw/zinc/49/63/82/790496382.db2.gz SUVBEVNCQJLYHC-NEPJUHHUSA-N 1 0 346.453 -1.359 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887894 790498151 /nfs/dbraw/zinc/49/81/51/790498151.db2.gz SUVBEVNCQJLYHC-VXGBXAGGSA-N 1 0 346.453 -1.359 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887936 790497068 /nfs/dbraw/zinc/49/70/68/790497068.db2.gz VAQYZYGIJSCHHJ-BDAKNGLRSA-N 1 0 347.397 -2.676 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887937 790498172 /nfs/dbraw/zinc/49/81/72/790498172.db2.gz VAQYZYGIJSCHHJ-RKDXNWHRSA-N 1 0 347.397 -2.676 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC001187888021 790497783 /nfs/dbraw/zinc/49/77/83/790497783.db2.gz XKUSBLKXQWODQN-SNVBAGLBSA-N 1 0 334.336 -1.821 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001187894074 790491604 /nfs/dbraw/zinc/49/16/04/790491604.db2.gz DMWMQXCJCZRLLQ-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001187894277 790490496 /nfs/dbraw/zinc/49/04/96/790490496.db2.gz FGWMGSCRFJTDSC-LLVKDONJSA-N 1 0 332.426 -1.748 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001187894417 790490707 /nfs/dbraw/zinc/49/07/07/790490707.db2.gz HRHCYKCVWUCQLZ-LLVKDONJSA-N 1 0 343.409 -1.275 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001187894439 790491814 /nfs/dbraw/zinc/49/18/14/790491814.db2.gz IRPLLWCHFXIUAR-SNVBAGLBSA-N 1 0 325.369 -1.616 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001187894714 790490581 /nfs/dbraw/zinc/49/05/81/790490581.db2.gz KAWPTCGNKCKJPG-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCN2CCCC2=O)C1)C(=O)NC(N)=O ZINC001187894727 790490640 /nfs/dbraw/zinc/49/06/40/790490640.db2.gz KFJMAANKWQPNAD-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCN2CCCC2=O)C1)C(=O)NC(N)=O ZINC001187894730 790490591 /nfs/dbraw/zinc/49/05/91/790490591.db2.gz KFJMAANKWQPNAD-WDEREUQCSA-N 1 0 339.396 -1.227 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187894750 790491287 /nfs/dbraw/zinc/49/12/87/790491287.db2.gz CPAFOSGNUCTWRL-QWHCGFSZSA-N 1 0 349.453 -1.533 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001187894819 790491454 /nfs/dbraw/zinc/49/14/54/790491454.db2.gz NEFCYLOUXGBRQR-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001187894837 790491840 /nfs/dbraw/zinc/49/18/40/790491840.db2.gz OAECAUVYQCFPAX-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001187895206 790492255 /nfs/dbraw/zinc/49/22/55/790492255.db2.gz SCGFZXYJCGZOCY-GFCCVEGCSA-N 1 0 342.421 -1.375 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001187895218 790493353 /nfs/dbraw/zinc/49/33/53/790493353.db2.gz SKBQJMZTMZQSNM-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 ZINC001187895355 790492454 /nfs/dbraw/zinc/49/24/54/790492454.db2.gz JGMRUJNTKULVKT-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 ZINC001187895356 790492608 /nfs/dbraw/zinc/49/26/08/790492608.db2.gz JGMRUJNTKULVKT-SDDRHHMPSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001187895504 790492487 /nfs/dbraw/zinc/49/24/87/790492487.db2.gz WMOXPMMBMLLYTE-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001187895514 790493582 /nfs/dbraw/zinc/49/35/82/790493582.db2.gz XCTRPICHCTUKGI-SNVBAGLBSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001187895943 790492363 /nfs/dbraw/zinc/49/23/63/790492363.db2.gz VNXHUPUBMUJVPE-RWMBFGLXSA-N 1 0 349.453 -1.534 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001187895947 790492969 /nfs/dbraw/zinc/49/29/69/790492969.db2.gz VNXHUPUBMUJVPE-YNEHKIRRSA-N 1 0 349.453 -1.534 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001187896080 790493767 /nfs/dbraw/zinc/49/37/67/790493767.db2.gz ZJGWUEWCPYQOGX-QJPTWQEYSA-N 1 0 344.437 -1.653 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001187896082 790492393 /nfs/dbraw/zinc/49/23/93/790492393.db2.gz ZJGWUEWCPYQOGX-SDDRHHMPSA-N 1 0 344.437 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001187901196 790493212 /nfs/dbraw/zinc/49/32/12/790493212.db2.gz ABXFJIYSBCTVPW-GFCCVEGCSA-N 1 0 329.426 -1.032 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187901361 790493334 /nfs/dbraw/zinc/49/33/34/790493334.db2.gz DGKGLMZYKPOYMG-SNVBAGLBSA-N 1 0 330.414 -1.462 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001187901811 790493439 /nfs/dbraw/zinc/49/34/39/790493439.db2.gz JNKRCISBTUDUDF-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001187901812 790493628 /nfs/dbraw/zinc/49/36/28/790493628.db2.gz JNKRCISBTUDUDF-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001187901813 790493196 /nfs/dbraw/zinc/49/31/96/790493196.db2.gz JRADHNFYBWQWOT-LLVKDONJSA-N 1 0 329.426 -1.032 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001187901827 790492696 /nfs/dbraw/zinc/49/26/96/790492696.db2.gz KCLMHZUDEXEAEC-SECBINFHSA-N 1 0 327.428 -2.229 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)C1 ZINC001187901916 790493586 /nfs/dbraw/zinc/49/35/86/790493586.db2.gz LCZRVFIPVSJHKP-NWDGAFQWSA-N 1 0 348.469 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C(C)C)C1 ZINC001187901920 790492889 /nfs/dbraw/zinc/49/28/89/790492889.db2.gz LCZRVFIPVSJHKP-VXGBXAGGSA-N 1 0 348.469 -1.113 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187901992 790493384 /nfs/dbraw/zinc/49/33/84/790493384.db2.gz LYSRBNPWTWLNLP-MRVPVSSYSA-N 1 0 335.386 -2.818 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187901999 790493599 /nfs/dbraw/zinc/49/35/99/790493599.db2.gz MDKAMBZBUDOSFN-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187902100 790493500 /nfs/dbraw/zinc/49/35/00/790493500.db2.gz MDKAMBZBUDOSFN-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187902152 790493577 /nfs/dbraw/zinc/49/35/77/790493577.db2.gz NOXXGNIQPMFEEX-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187902163 790493177 /nfs/dbraw/zinc/49/31/77/790493177.db2.gz NVDRERLZZSBNES-NXEZZACHSA-N 1 0 327.385 -1.466 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187902164 790492797 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CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001187902649 790492736 /nfs/dbraw/zinc/49/27/36/790492736.db2.gz UNGUWNPURYGZIG-LLVKDONJSA-N 1 0 334.442 -1.407 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001187902697 790493543 /nfs/dbraw/zinc/49/35/43/790493543.db2.gz WMQPSDJGLAMLEQ-GHMZBOCLSA-N 1 0 341.412 -1.205 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001187902698 790492562 /nfs/dbraw/zinc/49/25/62/790492562.db2.gz WMQPSDJGLAMLEQ-WDEREUQCSA-N 1 0 341.412 -1.205 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001187902703 790492381 /nfs/dbraw/zinc/49/23/81/790492381.db2.gz XAMYOTKNENDDRS-GFCCVEGCSA-N 1 0 344.441 -1.365 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187902726 790493692 /nfs/dbraw/zinc/49/36/92/790493692.db2.gz XLMNZMQUTBNOOP-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187902727 790493401 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347.437 -1.531 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001187959954 790497870 /nfs/dbraw/zinc/49/78/70/790497870.db2.gz BGDYRVAYSAEXSV-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001187959955 790498292 /nfs/dbraw/zinc/49/82/92/790498292.db2.gz BGDYRVAYSAEXSV-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187960047 790496451 /nfs/dbraw/zinc/49/64/51/790496451.db2.gz DQJYKFXDKLOWEH-CHWSQXEVSA-N 1 0 326.397 -1.488 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187960048 790496777 /nfs/dbraw/zinc/49/67/77/790496777.db2.gz DQJYKFXDKLOWEH-OLZOCXBDSA-N 1 0 326.397 -1.488 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001187960294 790497500 /nfs/dbraw/zinc/49/75/00/790497500.db2.gz DYODHTIVBJCGBG-HZSPNIEDSA-N 1 0 329.397 -1.569 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 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CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001188064516 790503194 /nfs/dbraw/zinc/50/31/94/790503194.db2.gz STTIMYLZDXHHTQ-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001188064517 790502714 /nfs/dbraw/zinc/50/27/14/790502714.db2.gz STTIMYLZDXHHTQ-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001188064556 790503098 /nfs/dbraw/zinc/50/30/98/790503098.db2.gz VQYSQOGBWAFTJU-GFCCVEGCSA-N 1 0 344.441 -1.250 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188064624 790501727 /nfs/dbraw/zinc/50/17/27/790501727.db2.gz ZDFUOHVVJXRVOZ-GFCCVEGCSA-N 1 0 337.442 -1.533 20 0 EAADRO O=C(CNC(=O)c1ccccn1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001188071996 790502076 /nfs/dbraw/zinc/50/20/76/790502076.db2.gz CBELVQIKQIZBMR-DGCLKSJQSA-N 1 0 331.376 -1.110 20 0 EAADRO O=C(CNC(=O)c1ccccn1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001188071997 790503159 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349.395 -1.513 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001188073532 790501919 /nfs/dbraw/zinc/50/19/19/790501919.db2.gz YIULPLIXZIBDMV-WDEREUQCSA-N 1 0 349.395 -1.513 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC001188079671 790502280 /nfs/dbraw/zinc/50/22/80/790502280.db2.gz JVYDFYVDMPKAOY-GFCCVEGCSA-N 1 0 336.396 -1.001 20 0 EAADRO CCOCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188091685 790503107 /nfs/dbraw/zinc/50/31/07/790503107.db2.gz MTSPRXVRSBBBHP-GHMZBOCLSA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188091712 790502906 /nfs/dbraw/zinc/50/29/06/790502906.db2.gz MTSPRXVRSBBBHP-WDEREUQCSA-N 1 0 330.385 -1.187 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001188095191 790503211 /nfs/dbraw/zinc/50/32/11/790503211.db2.gz HQTSVAQCRWZASK-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO 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ZINC001188095877 790502127 /nfs/dbraw/zinc/50/21/27/790502127.db2.gz VCVNKCNPHDPJHB-YNEHKIRRSA-N 1 0 349.453 -1.534 20 0 EAADRO Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188098674 790503170 /nfs/dbraw/zinc/50/31/70/790503170.db2.gz AFDLNLIWPMOPPG-GFCCVEGCSA-N 1 0 346.395 -1.482 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188098681 790503294 /nfs/dbraw/zinc/50/32/94/790503294.db2.gz AOVFGMLAPDRTHO-CHWSQXEVSA-N 1 0 338.412 -1.254 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188098682 790501551 /nfs/dbraw/zinc/50/15/51/790501551.db2.gz AOVFGMLAPDRTHO-QWHCGFSZSA-N 1 0 338.412 -1.254 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CNC(=O)Cn3cncn3)C2)C1=O ZINC001188098689 790501307 /nfs/dbraw/zinc/50/13/07/790501307.db2.gz ASYDLGBHXJAXRP-NEPJUHHUSA-N 1 0 349.395 -2.185 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CNC(=O)Cn3cncn3)C2)C1=O ZINC001188098690 790503143 /nfs/dbraw/zinc/50/31/43/790503143.db2.gz ASYDLGBHXJAXRP-VXGBXAGGSA-N 1 0 349.395 -2.185 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188098692 790503047 /nfs/dbraw/zinc/50/30/47/790503047.db2.gz AWHOCCIQKLIYND-GHMZBOCLSA-N 1 0 337.384 -2.281 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188098693 790501707 /nfs/dbraw/zinc/50/17/07/790501707.db2.gz AWHOCCIQKLIYND-WDEREUQCSA-N 1 0 337.384 -2.281 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1)C(N)=O ZINC001188098703 790503228 /nfs/dbraw/zinc/50/32/28/790503228.db2.gz BENQVERKTHYFJM-GHMZBOCLSA-N 1 0 337.384 -2.151 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1)C(N)=O ZINC001188098704 790502257 /nfs/dbraw/zinc/50/22/57/790502257.db2.gz BENQVERKTHYFJM-MNOVXSKESA-N 1 0 337.384 -2.151 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188098714 790502694 /nfs/dbraw/zinc/50/26/94/790502694.db2.gz BOQDVFLJMKVURM-LLVKDONJSA-N 1 0 337.384 -2.327 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001188099077 790503063 /nfs/dbraw/zinc/50/30/63/790503063.db2.gz FGRPOCPZDNKNRR-GFCCVEGCSA-N 1 0 349.395 -2.183 20 0 EAADRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CNC(=O)Cn3cncn3)C2)cn1 ZINC001188099116 790502962 /nfs/dbraw/zinc/50/29/62/790502962.db2.gz HFWHMAFKICPGAT-CYBMUJFWSA-N 1 0 346.395 -1.482 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1)NC1CC1 ZINC001188099117 790505497 /nfs/dbraw/zinc/50/54/97/790505497.db2.gz HHJCIDGNYKJAST-GFCCVEGCSA-N 1 0 349.395 -2.137 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001188099168 790504616 /nfs/dbraw/zinc/50/46/16/790504616.db2.gz JIFZOOWSFDISMH-GHMZBOCLSA-N 1 0 335.368 -2.527 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001188099169 790504938 /nfs/dbraw/zinc/50/49/38/790504938.db2.gz JIFZOOWSFDISMH-MNOVXSKESA-N 1 0 335.368 -2.527 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188099488 790504714 /nfs/dbraw/zinc/50/47/14/790504714.db2.gz KDZVONNNHLDEPQ-GFCCVEGCSA-N 1 0 340.384 -2.406 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001188099491 790503998 /nfs/dbraw/zinc/50/39/98/790503998.db2.gz KIAAGHYZWMDWAY-CYBMUJFWSA-N 1 0 346.395 -1.519 20 0 EAADRO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)CNC(=O)Cn3cncn3)C2)n1 ZINC001188099524 790503759 /nfs/dbraw/zinc/50/37/59/790503759.db2.gz LNWKBSGPBYSDDL-CYBMUJFWSA-N 1 0 346.395 -1.482 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001188099935 790504124 /nfs/dbraw/zinc/50/41/24/790504124.db2.gz OJQJIJDZUPQLTN-GFCCVEGCSA-N 1 0 347.383 -2.124 20 0 EAADRO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188100504 790505471 /nfs/dbraw/zinc/50/54/71/790505471.db2.gz UOFWTVGFVPUMPP-GFCCVEGCSA-N 1 0 346.395 -1.482 20 0 EAADRO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188100529 790504557 /nfs/dbraw/zinc/50/45/57/790504557.db2.gz VKBYTYKTUCZOJY-LLVKDONJSA-N 1 0 347.383 -2.087 20 0 EAADRO 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/nfs/dbraw/zinc/50/40/57/790504057.db2.gz WQUGLZXFFTXYMS-VXGBXAGGSA-N 1 0 340.384 -2.408 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188100709 790503570 /nfs/dbraw/zinc/50/35/70/790503570.db2.gz ZJPINSVIYCUBSI-LLVKDONJSA-N 1 0 337.384 -2.279 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001188102053 790504252 /nfs/dbraw/zinc/50/42/52/790504252.db2.gz AQZNEBRYKUSNIM-QJPTWQEYSA-N 1 0 346.453 -1.278 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001188102055 790504864 /nfs/dbraw/zinc/50/48/64/790504864.db2.gz AQZNEBRYKUSNIM-SDDRHHMPSA-N 1 0 346.453 -1.278 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001188102137 790505623 /nfs/dbraw/zinc/50/56/23/790505623.db2.gz CUBHVLXVHNRZGQ-QJPTWQEYSA-N 1 0 344.437 -1.701 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001188102138 790504577 /nfs/dbraw/zinc/50/45/77/790504577.db2.gz CUBHVLXVHNRZGQ-SDDRHHMPSA-N 1 0 344.437 -1.701 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188102215 790504232 /nfs/dbraw/zinc/50/42/32/790504232.db2.gz FLGHWASYMCXAJD-RWMBFGLXSA-N 1 0 349.453 -1.582 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188102219 790504136 /nfs/dbraw/zinc/50/41/36/790504136.db2.gz FLGHWASYMCXAJD-YNEHKIRRSA-N 1 0 349.453 -1.582 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)S(C)(=O)=O ZINC001188102687 790503966 /nfs/dbraw/zinc/50/39/66/790503966.db2.gz PWCSLHYILVRGQB-QWHCGFSZSA-N 1 0 349.453 -1.581 20 0 EAADRO CNS(=O)(=O)c1ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001188105900 790507288 /nfs/dbraw/zinc/50/72/88/790507288.db2.gz FQPONRZHXZLHDR-UHFFFAOYSA-N 1 0 335.407 -1.045 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001188106380 790504973 /nfs/dbraw/zinc/50/49/73/790504973.db2.gz JACNUDFNSDLCHD-DTWKUNHWSA-N 1 0 342.400 -1.532 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001188106381 790504798 /nfs/dbraw/zinc/50/47/98/790504798.db2.gz JACNUDFNSDLCHD-RKDXNWHRSA-N 1 0 342.400 -1.532 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188107038 790504770 /nfs/dbraw/zinc/50/47/70/790504770.db2.gz FWBJPDZIHSNVJY-QJPTWQEYSA-N 1 0 346.453 -1.326 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188107056 790505239 /nfs/dbraw/zinc/50/52/39/790505239.db2.gz FWBJPDZIHSNVJY-SDDRHHMPSA-N 1 0 346.453 -1.326 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188107424 790504837 /nfs/dbraw/zinc/50/48/37/790504837.db2.gz OLLGKBASVADXLU-GRYCIOLGSA-N 1 0 346.453 -1.455 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188107425 790504184 /nfs/dbraw/zinc/50/41/84/790504184.db2.gz OLLGKBASVADXLU-SDDRHHMPSA-N 1 0 346.453 -1.455 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001188111750 790504602 /nfs/dbraw/zinc/50/46/02/790504602.db2.gz DPASEANOYCPMRO-LLVKDONJSA-N 1 0 340.428 -1.090 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188111768 790505709 /nfs/dbraw/zinc/50/57/09/790505709.db2.gz FLHMAYPKKOGBIR-SNVBAGLBSA-N 1 0 349.457 -1.566 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188111780 790504012 /nfs/dbraw/zinc/50/40/12/790504012.db2.gz FYKBEVFRHOTVPB-MRVPVSSYSA-N 1 0 328.373 -1.921 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001188111911 790505157 /nfs/dbraw/zinc/50/51/57/790505157.db2.gz HYWSTRCECIOBHC-SNVBAGLBSA-N 1 0 334.442 -1.071 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(=O)NC)C1 ZINC001188112237 790505689 /nfs/dbraw/zinc/50/56/89/790505689.db2.gz NZSXSHGLTNBZPR-SECBINFHSA-N 1 0 342.400 -1.660 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001188112412 790505514 /nfs/dbraw/zinc/50/55/14/790505514.db2.gz XHOCOKUJPWMAFD-NXEZZACHSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001188112413 790504097 /nfs/dbraw/zinc/50/40/97/790504097.db2.gz XHOCOKUJPWMAFD-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1)C(=O)NC(N)=O ZINC001188118003 790504901 /nfs/dbraw/zinc/50/49/01/790504901.db2.gz CFRWUUTVVWNVCM-GXSJLCMTSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1)C(=O)NC(N)=O ZINC001188118004 790504335 /nfs/dbraw/zinc/50/43/35/790504335.db2.gz CFRWUUTVVWNVCM-MWLCHTKSSA-N 1 0 339.396 -1.323 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001188118010 790505381 /nfs/dbraw/zinc/50/53/81/790505381.db2.gz CLQIWYUZTXFCER-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(CNC(=O)C1CCC1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001188118021 790503638 /nfs/dbraw/zinc/50/36/38/790503638.db2.gz CWBNCGABOLLOBJ-NEPJUHHUSA-N 1 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COCC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188118759 790504499 /nfs/dbraw/zinc/50/44/99/790504499.db2.gz OEMQLYURTVTMMF-UONOGXRCSA-N 1 0 343.424 -1.319 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1 ZINC001188118802 790505768 /nfs/dbraw/zinc/50/57/68/790505768.db2.gz PMASKPOPWQRDCM-FRRDWIJNSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1 ZINC001188118803 790505563 /nfs/dbraw/zinc/50/55/63/790505563.db2.gz PMASKPOPWQRDCM-RWMBFGLXSA-N 1 0 340.424 -1.194 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001188118872 790504822 /nfs/dbraw/zinc/50/48/22/790504822.db2.gz QWOQBCXJJZTKAF-BFHYXJOUSA-N 1 0 343.424 -1.321 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001188118873 790503664 /nfs/dbraw/zinc/50/36/64/790503664.db2.gz QWOQBCXJJZTKAF-MELADBBJSA-N 1 0 343.424 -1.321 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001188118931 790505441 /nfs/dbraw/zinc/50/54/41/790505441.db2.gz SPUINYMEGPWJDN-RWMBFGLXSA-N 1 0 338.408 -1.440 20 0 EAADRO COCC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001188118932 790503866 /nfs/dbraw/zinc/50/38/66/790503866.db2.gz SPUINYMEGPWJDN-YNEHKIRRSA-N 1 0 338.408 -1.440 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001188124175 790504632 /nfs/dbraw/zinc/50/46/32/790504632.db2.gz BESYGTVBKVNKOG-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001188124176 790505327 /nfs/dbraw/zinc/50/53/27/790505327.db2.gz BESYGTVBKVNKOG-SDDRHHMPSA-N 1 0 346.453 -1.407 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001188124197 790504067 /nfs/dbraw/zinc/50/40/67/790504067.db2.gz CIFLZOHIEBEFJJ-QJPTWQEYSA-N 1 0 344.437 -1.653 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001188124198 790505732 /nfs/dbraw/zinc/50/57/32/790505732.db2.gz CIFLZOHIEBEFJJ-SDDRHHMPSA-N 1 0 344.437 -1.653 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188124448 790504856 /nfs/dbraw/zinc/50/48/56/790504856.db2.gz DQTAOQVQCPSTIC-NXEZZACHSA-N 1 0 326.357 -2.425 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188124453 790505145 /nfs/dbraw/zinc/50/51/45/790505145.db2.gz DQTAOQVQCPSTIC-ZJUUUORDSA-N 1 0 326.357 -2.425 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCOCC(F)F)C2)nn1 ZINC001188124483 790504039 /nfs/dbraw/zinc/50/40/39/790504039.db2.gz FSZOLOJJYKZLEL-SECBINFHSA-N 1 0 346.338 -1.151 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)nn1 ZINC001188124487 790507682 /nfs/dbraw/zinc/50/76/82/790507682.db2.gz FTNWHRPIJOBDAV-LLVKDONJSA-N 1 0 349.395 -1.906 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 ZINC001188124558 790504388 /nfs/dbraw/zinc/50/43/88/790504388.db2.gz FZIUFQRAHMQNFM-FRRDWIJNSA-N 1 0 340.424 -1.242 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 ZINC001188124559 790504352 /nfs/dbraw/zinc/50/43/52/790504352.db2.gz FZIUFQRAHMQNFM-RWMBFGLXSA-N 1 0 340.424 -1.242 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 ZINC001188124582 790506604 /nfs/dbraw/zinc/50/66/04/790506604.db2.gz GNQOXLSFLYFBFT-RWMBFGLXSA-N 1 0 340.424 -1.112 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 ZINC001188124583 790506900 /nfs/dbraw/zinc/50/69/00/790506900.db2.gz GNQOXLSFLYFBFT-YNEHKIRRSA-N 1 0 340.424 -1.112 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001188124618 790506716 /nfs/dbraw/zinc/50/67/16/790506716.db2.gz ISHHUYJFWZSLJH-RWMBFGLXSA-N 1 0 349.453 -1.534 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001188124619 790507660 /nfs/dbraw/zinc/50/76/60/790507660.db2.gz ISHHUYJFWZSLJH-YNEHKIRRSA-N 1 0 349.453 -1.534 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188124920 790506335 /nfs/dbraw/zinc/50/63/35/790506335.db2.gz GLXRVGAKQXEPKT-LLVKDONJSA-N 1 0 340.384 -1.770 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188125010 790506698 /nfs/dbraw/zinc/50/66/98/790506698.db2.gz IGXILLPNPFVFCC-SECBINFHSA-N 1 0 344.397 -2.388 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)nn1 ZINC001188125019 790506589 /nfs/dbraw/zinc/50/65/89/790506589.db2.gz IUIUAKOKHSLFKC-SNVBAGLBSA-N 1 0 335.368 -2.154 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188125064 790507986 /nfs/dbraw/zinc/50/79/86/790507986.db2.gz KLDRAALLZROYLV-UONOGXRCSA-N 1 0 343.424 -1.367 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001188125080 790506627 /nfs/dbraw/zinc/50/66/27/790506627.db2.gz LESSYMYOZPVUQM-BFHYXJOUSA-N 1 0 343.424 -1.369 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001188125081 790506647 /nfs/dbraw/zinc/50/66/47/790506647.db2.gz LESSYMYOZPVUQM-MELADBBJSA-N 1 0 343.424 -1.369 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188125093 790507920 /nfs/dbraw/zinc/50/79/20/790507920.db2.gz LVBQFVOTPJJBHW-QWHCGFSZSA-N 1 0 349.453 -1.533 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001188125136 790507617 /nfs/dbraw/zinc/50/76/17/790507617.db2.gz OACKEQSSVGWZFV-RWMBFGLXSA-N 1 0 338.408 -1.488 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001188125137 790507567 /nfs/dbraw/zinc/50/75/67/790507567.db2.gz OACKEQSSVGWZFV-YNEHKIRRSA-N 1 0 338.408 -1.488 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188125502 790506526 /nfs/dbraw/zinc/50/65/26/790506526.db2.gz MPTGUJWNXHQZEX-SNVBAGLBSA-N 1 0 337.384 -1.954 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)nn1 ZINC001188125538 790506549 /nfs/dbraw/zinc/50/65/49/790506549.db2.gz NGUXFBQIPBPLGN-SNVBAGLBSA-N 1 0 326.357 -2.424 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 ZINC001188125719 790508057 /nfs/dbraw/zinc/50/80/57/790508057.db2.gz VHOFVFUJHZXEJL-QJPTWQEYSA-N 1 0 346.453 -1.278 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 ZINC001188125721 790507949 /nfs/dbraw/zinc/50/79/49/790507949.db2.gz VHOFVFUJHZXEJL-SDDRHHMPSA-N 1 0 346.453 -1.278 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001188126105 790506681 /nfs/dbraw/zinc/50/66/81/790506681.db2.gz PVCKEILYHBDBFO-SSDOTTSWSA-N 1 0 338.328 -3.238 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(=O)NC1CC1 ZINC001188126134 790506746 /nfs/dbraw/zinc/50/67/46/790506746.db2.gz QBPUVQUXKUWEFD-GXSJLCMTSA-N 1 0 349.395 -1.765 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(=O)NC1CC1 ZINC001188126136 790506535 /nfs/dbraw/zinc/50/65/35/790506535.db2.gz QBPUVQUXKUWEFD-MWLCHTKSSA-N 1 0 349.395 -1.765 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1)C1CC1 ZINC001188126153 790506729 /nfs/dbraw/zinc/50/67/29/790506729.db2.gz RJTWPSQECZFXQK-SNVBAGLBSA-N 1 0 349.395 -1.812 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)nn1 ZINC001188126170 790507734 /nfs/dbraw/zinc/50/77/34/790507734.db2.gz RSFBTYVWKIUBFJ-LLVKDONJSA-N 1 0 349.395 -1.906 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCOCC3CC3)C2)nn1 ZINC001188126171 790506579 /nfs/dbraw/zinc/50/65/79/790506579.db2.gz RSJNUNKHMCHQTA-GFCCVEGCSA-N 1 0 336.396 -1.006 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(=O)N(C)C ZINC001188126192 790507026 /nfs/dbraw/zinc/50/70/26/790507026.db2.gz SMMGMSWYOOEEBY-NXEZZACHSA-N 1 0 337.384 -1.956 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(=O)N(C)C ZINC001188126193 790506178 /nfs/dbraw/zinc/50/61/78/790506178.db2.gz SMMGMSWYOOEEBY-VHSXEESVSA-N 1 0 337.384 -1.956 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001188126441 790506638 /nfs/dbraw/zinc/50/66/38/790506638.db2.gz XBLTZTAZQBROSV-SNVBAGLBSA-N 1 0 337.384 -2.084 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CC)C1 ZINC001188126492 790506480 /nfs/dbraw/zinc/50/64/80/790506480.db2.gz YHVKOJHAMRTPDO-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188126497 790506259 /nfs/dbraw/zinc/50/62/59/790506259.db2.gz YLLSVXXWVWQHGM-SNVBAGLBSA-N 1 0 337.384 -1.908 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188126501 790507106 /nfs/dbraw/zinc/50/71/06/790507106.db2.gz YQLNPACJNHSUET-SNVBAGLBSA-N 1 0 337.384 -1.906 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001188132246 790507398 /nfs/dbraw/zinc/50/73/98/790507398.db2.gz BRCKCIHSHMJARP-NXEZZACHSA-N 1 0 331.394 -1.583 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001188132248 790506959 /nfs/dbraw/zinc/50/69/59/790506959.db2.gz BRCKCIHSHMJARP-ZJUUUORDSA-N 1 0 331.394 -1.583 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001188132268 790506460 /nfs/dbraw/zinc/50/64/60/790506460.db2.gz CGPKOVDKMRYDKB-CHWSQXEVSA-N 1 0 344.437 -1.131 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001188132269 790507164 /nfs/dbraw/zinc/50/71/64/790507164.db2.gz CGPKOVDKMRYDKB-OLZOCXBDSA-N 1 0 344.437 -1.131 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001188132343 790507878 /nfs/dbraw/zinc/50/78/78/790507878.db2.gz FOFHXLJNDVYZOL-SNVBAGLBSA-N 1 0 346.409 -1.837 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001188132471 790508033 /nfs/dbraw/zinc/50/80/33/790508033.db2.gz GEWZKMWSLWMKNZ-LLVKDONJSA-N 1 0 345.421 -1.239 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001188132493 790507819 /nfs/dbraw/zinc/50/78/19/790507819.db2.gz HJLRHXCNFHWNOV-GFCCVEGCSA-N 1 0 347.437 -1.530 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001188132579 790507091 /nfs/dbraw/zinc/50/70/91/790507091.db2.gz KZTKKAOKJXZJCC-CYBMUJFWSA-N 1 0 349.453 -1.236 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001188132991 790508007 /nfs/dbraw/zinc/50/80/07/790508007.db2.gz PTCBOYWSPWNZTC-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188133041 790507247 /nfs/dbraw/zinc/50/72/47/790507247.db2.gz QRVPGTKLGVOAHI-SNVBAGLBSA-N 1 0 341.455 -1.839 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001188133056 790507492 /nfs/dbraw/zinc/50/74/92/790507492.db2.gz RGKNJUOIUWVBRA-NXEZZACHSA-N 1 0 348.425 -1.544 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001188133059 790507307 /nfs/dbraw/zinc/50/73/07/790507307.db2.gz RGKNJUOIUWVBRA-VHSXEESVSA-N 1 0 348.425 -1.544 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CC)C1 ZINC001188133275 790506319 /nfs/dbraw/zinc/50/63/19/790506319.db2.gz SGZTVXKCFAKNNM-SNVBAGLBSA-N 1 0 348.425 -1.543 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001188133324 790506612 /nfs/dbraw/zinc/50/66/12/790506612.db2.gz VKXOOQHVFSMNSU-LLVKDONJSA-N 1 0 332.426 -1.363 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001188133343 790506790 /nfs/dbraw/zinc/50/67/90/790506790.db2.gz VYLLPQHGBXVUQD-SNVBAGLBSA-N 1 0 326.440 -1.344 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001188133693 790507590 /nfs/dbraw/zinc/50/75/90/790507590.db2.gz ZDSSEAXTXLRSOL-SECBINFHSA-N 1 0 334.398 -1.933 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001188133713 790506542 /nfs/dbraw/zinc/50/65/42/790506542.db2.gz ZQHRMCOAMSAIQB-DTWKUNHWSA-N 1 0 334.398 -1.805 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001188133715 790506502 /nfs/dbraw/zinc/50/65/02/790506502.db2.gz ZQHRMCOAMSAIQB-RKDXNWHRSA-N 1 0 334.398 -1.805 20 0 EAADRO O=C([C@H]1CCCO1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001188145435 790506658 /nfs/dbraw/zinc/50/66/58/790506658.db2.gz GVVURXYEBRRVCK-FRRDWIJNSA-N 1 0 339.392 -1.134 20 0 EAADRO O=C([C@H]1CCCO1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001188145436 790506711 /nfs/dbraw/zinc/50/67/11/790506711.db2.gz GVVURXYEBRRVCK-JHJVBQTASA-N 1 0 339.392 -1.134 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1)C(=O)N(C)C ZINC001188150817 790506350 /nfs/dbraw/zinc/50/63/50/790506350.db2.gz MLYIZNWJOFUYKR-JHJVBQTASA-N 1 0 340.424 -1.051 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1)C(=O)N(C)C ZINC001188150818 790506598 /nfs/dbraw/zinc/50/65/98/790506598.db2.gz MLYIZNWJOFUYKR-YNEHKIRRSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001188151480 790507424 /nfs/dbraw/zinc/50/74/24/790507424.db2.gz GRAVSTJFRPUDIX-NWDGAFQWSA-N 1 0 338.412 -1.527 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001188152250 790506572 /nfs/dbraw/zinc/50/65/72/790506572.db2.gz TYSRJNRZSRQMRM-GRYCIOLGSA-N 1 0 325.413 -1.075 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001188152251 790506999 /nfs/dbraw/zinc/50/69/99/790506999.db2.gz TYSRJNRZSRQMRM-SDDRHHMPSA-N 1 0 325.413 -1.075 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001188152290 790506926 /nfs/dbraw/zinc/50/69/26/790506926.db2.gz WDEAFGQYCOVNIJ-GARJFASQSA-N 1 0 337.380 -1.747 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001188152291 790507970 /nfs/dbraw/zinc/50/79/70/790507970.db2.gz WDEAFGQYCOVNIJ-HBNTYKKESA-N 1 0 337.380 -1.747 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188152348 790506583 /nfs/dbraw/zinc/50/65/83/790506583.db2.gz YRRIKALMERUORW-QWHCGFSZSA-N 1 0 337.424 -1.026 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1=O ZINC001188164643 790508617 /nfs/dbraw/zinc/50/86/17/790508617.db2.gz AENFAPAFSGNNAI-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1=O ZINC001188164646 790508408 /nfs/dbraw/zinc/50/84/08/790508408.db2.gz AENFAPAFSGNNAI-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001188165207 790509702 /nfs/dbraw/zinc/50/97/02/790509702.db2.gz GZMHNOSPXJZIMJ-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001188165209 790509395 /nfs/dbraw/zinc/50/93/95/790509395.db2.gz GZMHNOSPXJZIMJ-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1=O ZINC001188166373 790509820 /nfs/dbraw/zinc/50/98/20/790509820.db2.gz ZJQUPLSAFWTMLE-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1=O ZINC001188166374 790508688 /nfs/dbraw/zinc/50/86/88/790508688.db2.gz ZJQUPLSAFWTMLE-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)cs2)C1 ZINC001188172886 790508559 /nfs/dbraw/zinc/50/85/59/790508559.db2.gz OXVSGUZMKRJARU-MRVPVSSYSA-N 1 0 339.377 -1.154 20 0 EAADRO CCOCCOCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001188179731 790510078 /nfs/dbraw/zinc/51/00/78/790510078.db2.gz KZZXIXJYBKGGCS-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO CCOCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001188180340 790509732 /nfs/dbraw/zinc/50/97/32/790509732.db2.gz WENVNBVQRNHHPQ-LLVKDONJSA-N 1 0 330.385 -1.314 20 0 EAADRO CCOCCOCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001188186977 790509778 /nfs/dbraw/zinc/50/97/78/790509778.db2.gz BANBOPBJTBOMEV-GHMZBOCLSA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCCOCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001188186979 790509615 /nfs/dbraw/zinc/50/96/15/790509615.db2.gz BANBOPBJTBOMEV-WDEREUQCSA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCCOCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188187340 790508963 /nfs/dbraw/zinc/50/89/63/790508963.db2.gz FDZZVVOMTKOAQP-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CCCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188188199 790509120 /nfs/dbraw/zinc/50/91/20/790509120.db2.gz WQXIXWIZWYJKOU-SNVBAGLBSA-N 1 0 348.425 -1.413 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001188194396 790509211 /nfs/dbraw/zinc/50/92/11/790509211.db2.gz AFYCCAYVIQWFGO-NXEZZACHSA-N 1 0 348.425 -1.687 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001188194399 790509178 /nfs/dbraw/zinc/50/91/78/790509178.db2.gz AFYCCAYVIQWFGO-VHSXEESVSA-N 1 0 348.425 -1.687 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n(C)c1=O ZINC001188194442 790508831 /nfs/dbraw/zinc/50/88/31/790508831.db2.gz AUTBFFSTTYTDSO-SNVBAGLBSA-N 1 0 345.425 -1.923 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001188194531 790509443 /nfs/dbraw/zinc/50/94/43/790509443.db2.gz BNRVGQOUYSVBDK-NWDGAFQWSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001188194533 790508856 /nfs/dbraw/zinc/50/88/56/790508856.db2.gz BNRVGQOUYSVBDK-VXGBXAGGSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001188196560 790509653 /nfs/dbraw/zinc/50/96/53/790509653.db2.gz QORPFLDODMAYSO-GHMZBOCLSA-N 1 0 340.467 -1.098 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001188196561 790508504 /nfs/dbraw/zinc/50/85/04/790508504.db2.gz QORPFLDODMAYSO-WDEREUQCSA-N 1 0 340.467 -1.098 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)n(C)c1=O ZINC001188196850 790510044 /nfs/dbraw/zinc/51/00/44/790510044.db2.gz UNLWPJLHWPFLTA-LLVKDONJSA-N 1 0 344.437 -1.037 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1)C(=O)NC(N)=O ZINC001188197002 790509937 /nfs/dbraw/zinc/50/99/37/790509937.db2.gz VYSVMDIRPCRVLJ-DTWKUNHWSA-N 1 0 338.368 -1.889 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1)C(=O)NC(N)=O ZINC001188197064 790509882 /nfs/dbraw/zinc/50/98/82/790509882.db2.gz VYSVMDIRPCRVLJ-RKDXNWHRSA-N 1 0 338.368 -1.889 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188197280 790509840 /nfs/dbraw/zinc/50/98/40/790509840.db2.gz XZOAMQFAKDMHPY-DTWKUNHWSA-N 1 0 334.398 -1.948 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188197286 790508941 /nfs/dbraw/zinc/50/89/41/790508941.db2.gz XZOAMQFAKDMHPY-RKDXNWHRSA-N 1 0 334.398 -1.948 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001188203488 790508660 /nfs/dbraw/zinc/50/86/60/790508660.db2.gz JMAFHTARHYPXMQ-SECBINFHSA-N 1 0 338.368 -2.017 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)n(C)c1=O ZINC001188203672 790508709 /nfs/dbraw/zinc/50/87/09/790508709.db2.gz KNDKPPHVUOWQQZ-CHWSQXEVSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)n(C)c1=O ZINC001188203676 790509691 /nfs/dbraw/zinc/50/96/91/790509691.db2.gz KNDKPPHVUOWQQZ-OLZOCXBDSA-N 1 0 348.407 -1.215 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)n(C)c1=O ZINC001188204074 790508985 /nfs/dbraw/zinc/50/89/85/790508985.db2.gz PFPXDYMUKVFBCZ-SNVBAGLBSA-N 1 0 330.410 -1.428 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001188217488 790512558 /nfs/dbraw/zinc/51/25/58/790512558.db2.gz GEIDCQGLNMWXDK-MVWJERBFSA-N 1 0 339.396 -1.229 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001188217489 790511840 /nfs/dbraw/zinc/51/18/40/790511840.db2.gz GEIDCQGLNMWXDK-YUSALJHKSA-N 1 0 339.396 -1.229 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188217794 790510492 /nfs/dbraw/zinc/51/04/92/790510492.db2.gz MSMOORQRRBFHEG-GHMZBOCLSA-N 1 0 325.369 -1.617 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001188218222 790510906 /nfs/dbraw/zinc/51/09/06/790510906.db2.gz UDMUOIXIVCZQLR-VXGBXAGGSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188218408 790512255 /nfs/dbraw/zinc/51/22/55/790512255.db2.gz YDOFLBCAJBSELG-CHWSQXEVSA-N 1 0 346.453 -1.263 20 0 EAADRO O=C(CN1CCOCC1=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188219667 790510536 /nfs/dbraw/zinc/51/05/36/790510536.db2.gz XEMLMWPDERVDKA-UONOGXRCSA-N 1 0 341.408 -1.613 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001188219734 790511093 /nfs/dbraw/zinc/51/10/93/790511093.db2.gz YSAWLIIMMXPOIT-BFHYXJOUSA-N 1 0 341.408 -1.615 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001188219737 790511969 /nfs/dbraw/zinc/51/19/69/790511969.db2.gz YSAWLIIMMXPOIT-MELADBBJSA-N 1 0 341.408 -1.615 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1)C(=O)NC(N)=O ZINC001188224679 790510808 /nfs/dbraw/zinc/51/08/08/790510808.db2.gz NREUUXXHDAHARN-DTWKUNHWSA-N 1 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Cn1cnc(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)cc1=O ZINC001188237434 790512426 /nfs/dbraw/zinc/51/24/26/790512426.db2.gz CCJJRXPOEXINDJ-GXTWGEPZSA-N 1 0 336.392 -1.065 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001188238295 790512226 /nfs/dbraw/zinc/51/22/26/790512226.db2.gz YAYDNIGFRZRRRD-OUCADQQQSA-N 1 0 336.392 -1.066 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001188238300 790511260 /nfs/dbraw/zinc/51/12/60/790511260.db2.gz YAYDNIGFRZRRRD-SGMGOOAPSA-N 1 0 336.392 -1.066 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188246953 790511163 /nfs/dbraw/zinc/51/11/63/790511163.db2.gz PYQGEJNRKDBRIX-SDDRHHMPSA-N 1 0 340.380 -1.874 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001188247627 790510830 /nfs/dbraw/zinc/51/08/30/790510830.db2.gz ZNKNBGQPVFRQDK-FIQHERPVSA-N 1 0 340.380 -1.876 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001188247631 790511329 /nfs/dbraw/zinc/51/13/29/790511329.db2.gz ZNKNBGQPVFRQDK-WHOHXGKFSA-N 1 0 340.380 -1.876 20 0 EAADRO CC(=O)N[C@](C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)C ZINC001188250814 790510980 /nfs/dbraw/zinc/51/09/80/790510980.db2.gz BAAKLXFROIYDOD-ABAIWWIYSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)C ZINC001188250815 790511719 /nfs/dbraw/zinc/51/17/19/790511719.db2.gz BAAKLXFROIYDOD-IAQYHMDHSA-N 1 0 341.412 -1.077 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001188263980 790511630 /nfs/dbraw/zinc/51/16/30/790511630.db2.gz SCQURHHOXOTGQH-GARJFASQSA-N 1 0 337.380 -1.760 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001188263982 790512969 /nfs/dbraw/zinc/51/29/69/790512969.db2.gz SCQURHHOXOTGQH-HBNTYKKESA-N 1 0 337.380 -1.760 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC001188270784 790512759 /nfs/dbraw/zinc/51/27/59/790512759.db2.gz BDTGCGNROQLSFT-ATZCPNFKSA-N 1 0 348.363 -1.088 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC001188270785 790511772 /nfs/dbraw/zinc/51/17/72/790511772.db2.gz BDTGCGNROQLSFT-WCABBAIRSA-N 1 0 348.363 -1.088 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC001188270804 790512843 /nfs/dbraw/zinc/51/28/43/790512843.db2.gz BUKUYURVGOCKHM-GXSJLCMTSA-N 1 0 348.363 -1.216 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC001188271120 790512694 /nfs/dbraw/zinc/51/26/94/790512694.db2.gz ISTGAUHTFQPTDC-WCBMZHEXSA-N 1 0 334.336 -1.477 20 0 EAADRO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001188271574 790511225 /nfs/dbraw/zinc/51/12/25/790511225.db2.gz SCKHOUYKZNGGJN-DTWKUNHWSA-N 1 0 336.352 -1.235 20 0 EAADRO Cn1nnnc1CN[C@@H]1CCN(C(=O)C(C)(C)CS(C)(=O)=O)C1 ZINC001188277862 790512307 /nfs/dbraw/zinc/51/23/07/790512307.db2.gz AWQZIUUOGQKCRL-SNVBAGLBSA-N 1 0 344.441 -1.029 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 ZINC001188279290 790511127 /nfs/dbraw/zinc/51/11/27/790511127.db2.gz YNWNTRMUFQETGC-HBNTYKKESA-N 1 0 337.380 -1.617 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC001188292598 790512802 /nfs/dbraw/zinc/51/28/02/790512802.db2.gz AWFFPNJXYIPIEV-GXSJLCMTSA-N 1 0 348.363 -1.216 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC001188293175 790512324 /nfs/dbraw/zinc/51/23/24/790512324.db2.gz KWBZGTCOVXLTPA-WCBMZHEXSA-N 1 0 334.336 -1.477 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC001188293806 790512616 /nfs/dbraw/zinc/51/26/16/790512616.db2.gz XFEWGRJUUPYLTJ-ATZCPNFKSA-N 1 0 348.363 -1.088 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC001188293807 790511401 /nfs/dbraw/zinc/51/14/01/790511401.db2.gz XFEWGRJUUPYLTJ-WCABBAIRSA-N 1 0 348.363 -1.088 20 0 EAADRO COCCOCCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 ZINC001188325172 790510872 /nfs/dbraw/zinc/51/08/72/790510872.db2.gz IBGSEWRCFFDMQB-LLVKDONJSA-N 1 0 327.385 -1.148 20 0 EAADRO COCCOCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001188332314 790511681 /nfs/dbraw/zinc/51/16/81/790511681.db2.gz MFOSFCYQIJALRN-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1)C(=O)NC(N)=O ZINC001188338461 790513991 /nfs/dbraw/zinc/51/39/91/790513991.db2.gz ANUJJDFNQWGTEJ-PSASIEDQSA-N 1 0 348.363 -1.432 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1)C(=O)NC(N)=O ZINC001188338463 790514103 /nfs/dbraw/zinc/51/41/03/790514103.db2.gz ANUJJDFNQWGTEJ-WCBMZHEXSA-N 1 0 348.363 -1.432 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001188339175 790514383 /nfs/dbraw/zinc/51/43/83/790514383.db2.gz LJCXPSJGBPJAPM-SNVBAGLBSA-N 1 0 348.363 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790514500 /nfs/dbraw/zinc/51/45/00/790514500.db2.gz IZEKKFZZZGBGEQ-NXEZZACHSA-N 1 0 342.400 -1.401 20 0 EAADRO CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188368767 790514878 /nfs/dbraw/zinc/51/48/78/790514878.db2.gz IZEKKFZZZGBGEQ-ZJUUUORDSA-N 1 0 342.400 -1.401 20 0 EAADRO NC(=O)CCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001188374784 790514351 /nfs/dbraw/zinc/51/43/51/790514351.db2.gz BFYMYFVGXJCWCM-SNVBAGLBSA-N 1 0 325.369 -1.616 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]2CN(CCCO)C[C@H]21 ZINC001188374920 790515099 /nfs/dbraw/zinc/51/50/99/790515099.db2.gz DQBJLXWGUFQEDW-QWHCGFSZSA-N 1 0 334.438 -1.037 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]2CN(C[C@@H](C)O)C[C@H]21 ZINC001188376261 790514721 /nfs/dbraw/zinc/51/47/21/790514721.db2.gz PFJYELCIQOMSLB-FRRDWIJNSA-N 1 0 334.438 -1.039 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CC[C@H]2CN(C[C@H](C)O)C[C@H]21 ZINC001188376262 790513706 /nfs/dbraw/zinc/51/37/06/790513706.db2.gz PFJYELCIQOMSLB-RWMBFGLXSA-N 1 0 334.438 -1.039 20 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ZINC001188435301 790516099 /nfs/dbraw/zinc/51/60/99/790516099.db2.gz DMBFPZUJPAYQEC-UONOGXRCSA-N 1 0 340.424 -1.057 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001188435523 790517667 /nfs/dbraw/zinc/51/76/67/790517667.db2.gz JAGKXPXMWQUVQB-GARJFASQSA-N 1 0 335.351 -1.092 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001188435525 790516905 /nfs/dbraw/zinc/51/69/05/790516905.db2.gz JAGKXPXMWQUVQB-HBNTYKKESA-N 1 0 335.351 -1.092 20 0 EAADRO O=C(NCC(F)F)C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001188435543 790517695 /nfs/dbraw/zinc/51/76/95/790517695.db2.gz JGNMYOHSWYQVQB-IVZWLZJFSA-N 1 0 330.335 -1.211 20 0 EAADRO O=C(NCC(F)F)C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001188435549 790516622 /nfs/dbraw/zinc/51/66/22/790516622.db2.gz JGNMYOHSWYQVQB-LPEHRKFASA-N 1 0 330.335 -1.211 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001188435669 790517038 /nfs/dbraw/zinc/51/70/38/790517038.db2.gz MLGHPSOMAOHNBC-BFHYXJOUSA-N 1 0 340.424 -1.058 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001188435670 790517543 /nfs/dbraw/zinc/51/75/43/790517543.db2.gz MLGHPSOMAOHNBC-MELADBBJSA-N 1 0 340.424 -1.058 20 0 EAADRO O=C(NCC(F)F)C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188435747 790516309 /nfs/dbraw/zinc/51/63/09/790516309.db2.gz PYAULRCHTJLWFS-WDEREUQCSA-N 1 0 335.351 -1.091 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC001188438436 790516716 /nfs/dbraw/zinc/51/67/16/790516716.db2.gz OBPSFMBKLBFQQS-NEPJUHHUSA-N 1 0 342.396 -1.172 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 ZINC001188438437 790516803 /nfs/dbraw/zinc/51/68/03/790516803.db2.gz OBPSFMBKLBFQQS-VXGBXAGGSA-N 1 0 342.396 -1.172 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 ZINC001188438675 790517387 /nfs/dbraw/zinc/51/73/87/790517387.db2.gz SCPDJOXMXXHNDG-GHMZBOCLSA-N 1 0 328.369 -1.433 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC001188438676 790517008 /nfs/dbraw/zinc/51/70/08/790517008.db2.gz SCPDJOXMXXHNDG-MNOVXSKESA-N 1 0 328.369 -1.433 20 0 EAADRO CCn1nc(C)c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)n1 ZINC001188446804 790519966 /nfs/dbraw/zinc/51/99/66/790519966.db2.gz RLRLPULQBJFVTK-SNVBAGLBSA-N 1 0 337.384 -1.134 20 0 EAADRO CCn1nc(C)c(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001188446828 790520102 /nfs/dbraw/zinc/52/01/02/790520102.db2.gz SSDXTZMBPXFCQI-NXEZZACHSA-N 1 0 337.384 -1.006 20 0 EAADRO CCn1nc(C)c(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)n1 ZINC001188446829 790519025 /nfs/dbraw/zinc/51/90/25/790519025.db2.gz SSDXTZMBPXFCQI-VHSXEESVSA-N 1 0 337.384 -1.006 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 ZINC001188446841 790518981 /nfs/dbraw/zinc/51/89/81/790518981.db2.gz TWYRKGJRDHBCFW-CHWSQXEVSA-N 1 0 349.453 -1.078 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC001188446842 790520013 /nfs/dbraw/zinc/52/00/13/790520013.db2.gz TWYRKGJRDHBCFW-OLZOCXBDSA-N 1 0 349.453 -1.078 20 0 EAADRO CCn1nc(C)c(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001188447077 790519100 /nfs/dbraw/zinc/51/91/00/790519100.db2.gz ZNTDTGGPORHAAL-LLVKDONJSA-N 1 0 344.441 -1.040 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001188449690 790519603 /nfs/dbraw/zinc/51/96/03/790519603.db2.gz APEWMTHXWYEQMQ-UONOGXRCSA-N 1 0 326.441 -1.032 20 0 EAADRO CC(=O)N[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)(C)C ZINC001188454055 790518921 /nfs/dbraw/zinc/51/89/21/790518921.db2.gz CWQBZJOAWPKJAH-ZYHUDNBSSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1)C(=O)NC(N)=O ZINC001188454696 790518604 /nfs/dbraw/zinc/51/86/04/790518604.db2.gz NTUMWDRFIBUZEX-NXEZZACHSA-N 1 0 337.384 -1.478 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1)C(=O)NC(N)=O ZINC001188454698 790518312 /nfs/dbraw/zinc/51/83/12/790518312.db2.gz NTUMWDRFIBUZEX-VHSXEESVSA-N 1 0 337.384 -1.478 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nn1 ZINC001188454931 790519855 /nfs/dbraw/zinc/51/98/55/790519855.db2.gz NZRQASHBAKPABV-LLVKDONJSA-N 1 0 344.441 -1.513 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001188455527 790519263 /nfs/dbraw/zinc/51/92/63/790519263.db2.gz YMZGVPNHICVILA-SNVBAGLBSA-N 1 0 337.384 -1.606 20 0 EAADRO Cn1cc(CCC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)nn1 ZINC001188455537 790519045 /nfs/dbraw/zinc/51/90/45/790519045.db2.gz YTSLRLKNFUQOGG-LLVKDONJSA-N 1 0 329.426 -1.017 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188466515 790518748 /nfs/dbraw/zinc/51/87/48/790518748.db2.gz DMOSDKPWQGIZIE-NXEZZACHSA-N 1 0 327.385 -1.481 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188466528 790519479 /nfs/dbraw/zinc/51/94/79/790519479.db2.gz DMOSDKPWQGIZIE-ZJUUUORDSA-N 1 0 327.385 -1.481 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001188467536 790520087 /nfs/dbraw/zinc/52/00/87/790520087.db2.gz VLYNIOXXXWFFDF-GHMZBOCLSA-N 1 0 341.412 -1.220 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001188467544 790518907 /nfs/dbraw/zinc/51/89/07/790518907.db2.gz VLYNIOXXXWFFDF-MNOVXSKESA-N 1 0 341.412 -1.220 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 ZINC001188475189 790518553 /nfs/dbraw/zinc/51/85/53/790518553.db2.gz MHKNLEOXVXZPEN-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1)C(=O)NC(N)=O ZINC001188475203 790518964 /nfs/dbraw/zinc/51/89/64/790518964.db2.gz MUUVOGRGJIIGJE-GRYCIOLGSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1)C(=O)NC(N)=O ZINC001188475204 790519516 /nfs/dbraw/zinc/51/95/16/790519516.db2.gz MUUVOGRGJIIGJE-SDDRHHMPSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)N1CCOCC1 ZINC001188475248 790519327 /nfs/dbraw/zinc/51/93/27/790519327.db2.gz PRZITZZDZCBBAM-QWHCGFSZSA-N 1 0 333.454 -1.058 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188475349 790520223 /nfs/dbraw/zinc/52/02/23/790520223.db2.gz UJIIASSZBSDNAY-NEPJUHHUSA-N 1 0 348.469 -1.126 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188475350 790518796 /nfs/dbraw/zinc/51/87/96/790518796.db2.gz UJIIASSZBSDNAY-VXGBXAGGSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N1CCOCC1 ZINC001188475415 790519734 /nfs/dbraw/zinc/51/97/34/790519734.db2.gz WZSBSVNWHCJLJB-WDEREUQCSA-N 1 0 327.385 -1.908 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N1CCOCC1 ZINC001188475484 790520204 /nfs/dbraw/zinc/52/02/04/790520204.db2.gz ZVRZBVBOBGJYOW-QWHCGFSZSA-N 1 0 348.469 -1.553 20 0 EAADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCCCS(N)(=O)=O ZINC001188488432 790518385 /nfs/dbraw/zinc/51/83/85/790518385.db2.gz HHPDVYGSDRHZQN-JTQLQIEISA-N 1 0 331.460 -1.713 20 0 EAADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCCCS(N)(=O)=O ZINC001188488438 790518830 /nfs/dbraw/zinc/51/88/30/790518830.db2.gz HHPDVYGSDRHZQN-SNVBAGLBSA-N 1 0 331.460 -1.713 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1)Nc1ccon1 ZINC001188489693 790519231 /nfs/dbraw/zinc/51/92/31/790519231.db2.gz DGDTZDKHDOUNGV-NXEZZACHSA-N 1 0 349.347 -1.144 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1)Nc1ccon1 ZINC001188489695 790518851 /nfs/dbraw/zinc/51/88/51/790518851.db2.gz DGDTZDKHDOUNGV-VHSXEESVSA-N 1 0 349.347 -1.144 20 0 EAADRO Cn1nnc2cccc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NC(N)=O)C3)c21 ZINC001188490266 790518366 /nfs/dbraw/zinc/51/83/66/790518366.db2.gz NRPCAKHEJHLQQC-SECBINFHSA-N 1 0 345.363 -1.033 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1)C1CC1 ZINC001188490643 790519898 /nfs/dbraw/zinc/51/98/98/790519898.db2.gz VIQKTENNRCLYPM-GHMZBOCLSA-N 1 0 336.392 -1.150 20 0 EAADRO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1)C1CC1 ZINC001188490644 790519307 /nfs/dbraw/zinc/51/93/07/790519307.db2.gz VIQKTENNRCLYPM-WDEREUQCSA-N 1 0 336.392 -1.150 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001188494794 790519120 /nfs/dbraw/zinc/51/91/20/790519120.db2.gz CMXDFWQHLXSUPO-SNVBAGLBSA-N 1 0 348.363 -1.560 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001188494892 790519468 /nfs/dbraw/zinc/51/94/68/790519468.db2.gz DWYFUMIYVNGCPT-NWDGAFQWSA-N 1 0 327.381 -1.107 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001188494893 790519803 /nfs/dbraw/zinc/51/98/03/790519803.db2.gz DWYFUMIYVNGCPT-VXGBXAGGSA-N 1 0 327.381 -1.107 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001188494906 790520139 /nfs/dbraw/zinc/52/01/39/790520139.db2.gz FDXNSZDHZQIBBQ-HTQZYQBOSA-N 1 0 325.325 -2.575 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001188494915 790519586 /nfs/dbraw/zinc/51/95/86/790519586.db2.gz FDXNSZDHZQIBBQ-JGVFFNPUSA-N 1 0 325.325 -2.575 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001188495066 790518577 /nfs/dbraw/zinc/51/85/77/790518577.db2.gz GHPWSYYYVDAKDG-GHMZBOCLSA-N 1 0 345.421 -1.336 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001188495067 790519281 /nfs/dbraw/zinc/51/92/81/790519281.db2.gz GHPWSYYYVDAKDG-WDEREUQCSA-N 1 0 345.421 -1.336 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1)NCC1CC1 ZINC001188495301 790522154 /nfs/dbraw/zinc/52/21/54/790522154.db2.gz KXDSGYRVGDNASR-NWDGAFQWSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1)NCC1CC1 ZINC001188495302 790522364 /nfs/dbraw/zinc/52/23/64/790522364.db2.gz KXDSGYRVGDNASR-VXGBXAGGSA-N 1 0 336.392 -1.244 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001188495392 790522097 /nfs/dbraw/zinc/52/20/97/790522097.db2.gz MGCVGKVVJHORNA-SECBINFHSA-N 1 0 334.336 -1.821 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001188495553 790521494 /nfs/dbraw/zinc/52/14/94/790521494.db2.gz NINVQUKDLCFLMK-NWDGAFQWSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001188495554 790522283 /nfs/dbraw/zinc/52/22/83/790522283.db2.gz NINVQUKDLCFLMK-VXGBXAGGSA-N 1 0 336.392 -1.244 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001188495664 790521050 /nfs/dbraw/zinc/52/10/50/790521050.db2.gz QYTZLPKGBCAABN-NXEZZACHSA-N 1 0 346.409 -2.221 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001188495665 790521743 /nfs/dbraw/zinc/52/17/43/790521743.db2.gz QYTZLPKGBCAABN-VHSXEESVSA-N 1 0 346.409 -2.221 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001188495908 790521540 /nfs/dbraw/zinc/52/15/40/790521540.db2.gz TUIXWLGVIMRWPK-NXEZZACHSA-N 1 0 331.394 -1.726 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001188495925 790521885 /nfs/dbraw/zinc/52/18/85/790521885.db2.gz TUIXWLGVIMRWPK-VHSXEESVSA-N 1 0 331.394 -1.726 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001188496360 790522046 /nfs/dbraw/zinc/52/20/46/790522046.db2.gz XYJCTUJMXWIDCS-DTWKUNHWSA-N 1 0 339.352 -2.315 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001188496361 790521782 /nfs/dbraw/zinc/52/17/82/790521782.db2.gz XYJCTUJMXWIDCS-RKDXNWHRSA-N 1 0 339.352 -2.315 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1)C(=O)NC(N)=O ZINC001188501984 790521969 /nfs/dbraw/zinc/52/19/69/790521969.db2.gz LPDCCDLOCXSITI-PSASIEDQSA-N 1 0 348.363 -1.432 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1)C(=O)NC(N)=O ZINC001188501985 790521731 /nfs/dbraw/zinc/52/17/31/790521731.db2.gz LPDCCDLOCXSITI-WCBMZHEXSA-N 1 0 348.363 -1.432 20 0 EAADRO C[C@@]1(CCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC(=O)N1 ZINC001188512348 790522324 /nfs/dbraw/zinc/52/23/24/790522324.db2.gz LKBODSCPASDLNP-BMIGLBTASA-N 1 0 339.396 -1.179 20 0 EAADRO C[C@]1(CCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC(=O)N1 ZINC001188512349 790521989 /nfs/dbraw/zinc/52/19/89/790521989.db2.gz LKBODSCPASDLNP-MEBBXXQBSA-N 1 0 339.396 -1.179 20 0 EAADRO COCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001188528093 790519444 /nfs/dbraw/zinc/51/94/44/790519444.db2.gz FZDPBIZBXKRKGP-NEPJUHHUSA-N 1 0 327.381 -1.325 20 0 EAADRO COCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001188528094 790519286 /nfs/dbraw/zinc/51/92/86/790519286.db2.gz FZDPBIZBXKRKGP-NWDGAFQWSA-N 1 0 327.381 -1.325 20 0 EAADRO COCC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001188528095 790519341 /nfs/dbraw/zinc/51/93/41/790519341.db2.gz FZDPBIZBXKRKGP-RYUDHWBXSA-N 1 0 327.381 -1.325 20 0 EAADRO COCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001188528096 790519397 /nfs/dbraw/zinc/51/93/97/790519397.db2.gz 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790520853 /nfs/dbraw/zinc/52/08/53/790520853.db2.gz ADPQQOOWMXAQHH-ZDUSSCGKSA-N 1 0 348.469 -1.015 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)CN2CCCC2=O)C1 ZINC001188685659 790521943 /nfs/dbraw/zinc/52/19/43/790521943.db2.gz QIPHSMCXNVDCIS-KBPBESRZSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)CN2CCCC2=O)C1 ZINC001188685662 790520770 /nfs/dbraw/zinc/52/07/70/790520770.db2.gz QIPHSMCXNVDCIS-KGLIPLIRSA-N 1 0 340.424 -1.362 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188686058 790523745 /nfs/dbraw/zinc/52/37/45/790523745.db2.gz YLRLLQRWFZWBSH-CMPLNLGQSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188686059 790524938 /nfs/dbraw/zinc/52/49/38/790524938.db2.gz YLRLLQRWFZWBSH-JQWIXIFHSA-N 1 0 341.412 -1.111 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188686060 790524735 /nfs/dbraw/zinc/52/47/35/790524735.db2.gz 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ZINC001188724201 790523962 /nfs/dbraw/zinc/52/39/62/790523962.db2.gz OLYQKHGBRGYWJR-SDDRHHMPSA-N 1 0 334.442 -1.392 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188725378 790525479 /nfs/dbraw/zinc/52/54/79/790525479.db2.gz ARNZECRSYAEOQR-NXEZZACHSA-N 1 0 326.353 -1.009 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188725381 790524961 /nfs/dbraw/zinc/52/49/61/790524961.db2.gz ARNZECRSYAEOQR-UWVGGRQHSA-N 1 0 326.353 -1.009 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188725382 790524771 /nfs/dbraw/zinc/52/47/71/790524771.db2.gz ARNZECRSYAEOQR-VHSXEESVSA-N 1 0 326.353 -1.009 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188725384 790523635 /nfs/dbraw/zinc/52/36/35/790523635.db2.gz ARNZECRSYAEOQR-ZJUUUORDSA-N 1 0 326.353 -1.009 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001188727467 790523065 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SKPPKTCWMPFIPV-LLVKDONJSA-N 1 0 349.395 -1.097 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H]([N@H+](C)CCCN3C(=O)CNC3=O)C2)n1 ZINC001189984345 790573982 /nfs/dbraw/zinc/57/39/82/790573982.db2.gz SKPPKTCWMPFIPV-NSHDSACASA-N 1 0 349.395 -1.097 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001189992419 790572198 /nfs/dbraw/zinc/57/21/98/790572198.db2.gz KBPAYYMRVOKLGJ-RWMBFGLXSA-N 1 0 349.453 -1.582 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001189992420 790573525 /nfs/dbraw/zinc/57/35/25/790573525.db2.gz KBPAYYMRVOKLGJ-YNEHKIRRSA-N 1 0 349.453 -1.582 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189992457 790572434 /nfs/dbraw/zinc/57/24/34/790572434.db2.gz LGLVQHQXDIKDFI-QJPTWQEYSA-N 1 0 344.437 -1.701 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189992459 790571933 /nfs/dbraw/zinc/57/19/33/790571933.db2.gz LGLVQHQXDIKDFI-SDDRHHMPSA-N 1 0 344.437 -1.701 20 0 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DHNBECQAEIMTLN-NEPJUHHUSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001190135639 790576487 /nfs/dbraw/zinc/57/64/87/790576487.db2.gz DHNBECQAEIMTLN-NWDGAFQWSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001190135641 790575254 /nfs/dbraw/zinc/57/52/54/790575254.db2.gz DHNBECQAEIMTLN-RYUDHWBXSA-N 1 0 348.469 -1.065 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)C)C1 ZINC001190135642 790574949 /nfs/dbraw/zinc/57/49/49/790574949.db2.gz DHNBECQAEIMTLN-VXGBXAGGSA-N 1 0 348.469 -1.065 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001190135669 790576171 /nfs/dbraw/zinc/57/61/71/790576171.db2.gz DVMLCBNUENQUTL-GFCCVEGCSA-N 1 0 336.458 -1.360 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001190135670 790575000 /nfs/dbraw/zinc/57/50/00/790575000.db2.gz DVMLCBNUENQUTL-LBPRGKRZSA-N 1 0 336.458 -1.360 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001190135679 790574499 /nfs/dbraw/zinc/57/44/99/790574499.db2.gz FDJNCYMTMYKLCE-GFCCVEGCSA-N 1 0 337.442 -1.533 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001190135680 790575432 /nfs/dbraw/zinc/57/54/32/790575432.db2.gz FDJNCYMTMYKLCE-LBPRGKRZSA-N 1 0 337.442 -1.533 20 0 EAADRO CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190136081 790574906 /nfs/dbraw/zinc/57/49/06/790574906.db2.gz IGEVOVWETXCDGK-GHMZBOCLSA-N 1 0 334.442 -1.278 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190136082 790574877 /nfs/dbraw/zinc/57/48/77/790574877.db2.gz IGEVOVWETXCDGK-MNOVXSKESA-N 1 0 334.442 -1.278 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190136083 790576243 /nfs/dbraw/zinc/57/62/43/790576243.db2.gz IGEVOVWETXCDGK-QWRGUYRKSA-N 1 0 334.442 -1.278 20 0 EAADRO CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190136084 790576087 /nfs/dbraw/zinc/57/60/87/790576087.db2.gz IGEVOVWETXCDGK-WDEREUQCSA-N 1 0 334.442 -1.278 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001190136867 790575417 /nfs/dbraw/zinc/57/54/17/790575417.db2.gz LDLLMQUBMSCUHL-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001190136869 790575749 /nfs/dbraw/zinc/57/57/49/790575749.db2.gz LDLLMQUBMSCUHL-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001190136871 790575661 /nfs/dbraw/zinc/57/56/61/790575661.db2.gz LDLLMQUBMSCUHL-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001190136873 790575147 /nfs/dbraw/zinc/57/51/47/790575147.db2.gz LDLLMQUBMSCUHL-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190137167 790574724 /nfs/dbraw/zinc/57/47/24/790574724.db2.gz NFBYFQNWZDYIKM-GHMZBOCLSA-N 1 0 334.442 -1.407 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190137168 790575922 /nfs/dbraw/zinc/57/59/22/790575922.db2.gz NFBYFQNWZDYIKM-MNOVXSKESA-N 1 0 334.442 -1.407 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190137169 790574847 /nfs/dbraw/zinc/57/48/47/790574847.db2.gz NFBYFQNWZDYIKM-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190137170 790576149 /nfs/dbraw/zinc/57/61/49/790576149.db2.gz NFBYFQNWZDYIKM-WDEREUQCSA-N 1 0 334.442 -1.407 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001190137220 790575209 /nfs/dbraw/zinc/57/52/09/790575209.db2.gz OAMVBFQVKDXHDX-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001190137229 790576187 /nfs/dbraw/zinc/57/61/87/790576187.db2.gz OAMVBFQVKDXHDX-NWDGAFQWSA-N 1 0 337.442 -1.534 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001190137231 790575090 /nfs/dbraw/zinc/57/50/90/790575090.db2.gz OAMVBFQVKDXHDX-RYUDHWBXSA-N 1 0 337.442 -1.534 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001190137232 790574468 /nfs/dbraw/zinc/57/44/68/790574468.db2.gz OAMVBFQVKDXHDX-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137431 790576133 /nfs/dbraw/zinc/57/61/33/790576133.db2.gz PBNKBQOAMSYBBP-NEPJUHHUSA-N 1 0 336.458 -1.362 20 0 EAADRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137435 790575539 /nfs/dbraw/zinc/57/55/39/790575539.db2.gz PBNKBQOAMSYBBP-NWDGAFQWSA-N 1 0 336.458 -1.362 20 0 EAADRO C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137436 790576628 /nfs/dbraw/zinc/57/66/28/790576628.db2.gz PBNKBQOAMSYBBP-RYUDHWBXSA-N 1 0 336.458 -1.362 20 0 EAADRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137437 790576420 /nfs/dbraw/zinc/57/64/20/790576420.db2.gz PBNKBQOAMSYBBP-VXGBXAGGSA-N 1 0 336.458 -1.362 20 0 EAADRO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137461 790574696 /nfs/dbraw/zinc/57/46/96/790574696.db2.gz PKWOZZBHIBEPRU-GHMZBOCLSA-N 1 0 349.457 -1.869 20 0 EAADRO C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137467 790576022 /nfs/dbraw/zinc/57/60/22/790576022.db2.gz PKWOZZBHIBEPRU-MNOVXSKESA-N 1 0 349.457 -1.869 20 0 EAADRO C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137472 790576696 /nfs/dbraw/zinc/57/66/96/790576696.db2.gz PKWOZZBHIBEPRU-QWRGUYRKSA-N 1 0 349.457 -1.869 20 0 EAADRO C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137473 790575987 /nfs/dbraw/zinc/57/59/87/790575987.db2.gz PKWOZZBHIBEPRU-WDEREUQCSA-N 1 0 349.457 -1.869 20 0 EAADRO COCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137521 790575772 /nfs/dbraw/zinc/57/57/72/790575772.db2.gz PWYVYDKBEBYPSN-GFCCVEGCSA-N 1 0 336.458 -1.096 20 0 EAADRO COCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001190137522 790577668 /nfs/dbraw/zinc/57/76/68/790577668.db2.gz PWYVYDKBEBYPSN-LBPRGKRZSA-N 1 0 336.458 -1.096 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001190137775 790577461 /nfs/dbraw/zinc/57/74/61/790577461.db2.gz RUALYXSMQLNTOK-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001190137777 790577228 /nfs/dbraw/zinc/57/72/28/790577228.db2.gz RUALYXSMQLNTOK-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001190137779 790577579 /nfs/dbraw/zinc/57/75/79/790577579.db2.gz RUALYXSMQLNTOK-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001190137782 790577488 /nfs/dbraw/zinc/57/74/88/790577488.db2.gz RUALYXSMQLNTOK-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001190138822 790577197 /nfs/dbraw/zinc/57/71/97/790577197.db2.gz YTKRIKMSKFIWHQ-GFCCVEGCSA-N 1 0 344.441 -1.250 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001190138823 790577291 /nfs/dbraw/zinc/57/72/91/790577291.db2.gz YTKRIKMSKFIWHQ-LBPRGKRZSA-N 1 0 344.441 -1.250 20 0 EAADRO C[C@H](CC(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1)NC(N)=O ZINC001190154330 790578705 /nfs/dbraw/zinc/57/87/05/790578705.db2.gz HDWCHXXSTJOIHG-NEPJUHHUSA-N 1 0 340.428 -1.009 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1)NC(N)=O ZINC001190154333 790579458 /nfs/dbraw/zinc/57/94/58/790579458.db2.gz HDWCHXXSTJOIHG-NWDGAFQWSA-N 1 0 340.428 -1.009 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1)NC(N)=O ZINC001190154334 790579342 /nfs/dbraw/zinc/57/93/42/790579342.db2.gz HDWCHXXSTJOIHG-RYUDHWBXSA-N 1 0 340.428 -1.009 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1)NC(N)=O ZINC001190154336 790578618 /nfs/dbraw/zinc/57/86/18/790578618.db2.gz HDWCHXXSTJOIHG-VXGBXAGGSA-N 1 0 340.428 -1.009 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001190194060 790579251 /nfs/dbraw/zinc/57/92/51/790579251.db2.gz NMVDIAVBKPEWDW-RWMBFGLXSA-N 1 0 347.437 -1.780 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001190194061 790578181 /nfs/dbraw/zinc/57/81/81/790578181.db2.gz NMVDIAVBKPEWDW-YNEHKIRRSA-N 1 0 347.437 -1.780 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])C(=O)c1cc(CN2CCOCC2)on1 ZINC001190194302 790579805 /nfs/dbraw/zinc/57/98/05/790579805.db2.gz CLJWSZOOWVRUPX-UHFFFAOYSA-N 1 0 332.382 -1.133 20 0 EAADRO CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195368 790579622 /nfs/dbraw/zinc/57/96/22/790579622.db2.gz FUKDZWFCBOBTRJ-CYBMUJFWSA-N 1 0 339.400 -1.642 20 0 EAADRO CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195373 790578272 /nfs/dbraw/zinc/57/82/72/790578272.db2.gz FUKDZWFCBOBTRJ-ZDUSSCGKSA-N 1 0 339.400 -1.642 20 0 EAADRO COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195822 790578384 /nfs/dbraw/zinc/57/83/84/790578384.db2.gz MSYMKHIFFCCQNR-CHWSQXEVSA-N 1 0 342.400 -1.770 20 0 EAADRO COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195823 790579573 /nfs/dbraw/zinc/57/95/73/790579573.db2.gz MSYMKHIFFCCQNR-OLZOCXBDSA-N 1 0 342.400 -1.770 20 0 EAADRO COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195824 790579200 /nfs/dbraw/zinc/57/92/00/790579200.db2.gz MSYMKHIFFCCQNR-QWHCGFSZSA-N 1 0 342.400 -1.770 20 0 EAADRO COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195825 790578800 /nfs/dbraw/zinc/57/88/00/790578800.db2.gz MSYMKHIFFCCQNR-STQMWFEESA-N 1 0 342.400 -1.770 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001190226946 790578543 /nfs/dbraw/zinc/57/85/43/790578543.db2.gz BVTJKSOKGILRGX-QJPTWQEYSA-N 1 0 344.437 -1.701 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001190226947 790579432 /nfs/dbraw/zinc/57/94/32/790579432.db2.gz BVTJKSOKGILRGX-SDDRHHMPSA-N 1 0 344.437 -1.701 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001190227108 790578680 /nfs/dbraw/zinc/57/86/80/790578680.db2.gz HAANAQGNFFXCQX-NWDGAFQWSA-N 1 0 342.425 -1.640 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001190227372 790579612 /nfs/dbraw/zinc/57/96/12/790579612.db2.gz IYGOWEFNXJVSMD-GARJFASQSA-N 1 0 330.410 -2.043 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001190227373 790579587 /nfs/dbraw/zinc/57/95/87/790579587.db2.gz IYGOWEFNXJVSMD-HBNTYKKESA-N 1 0 330.410 -2.043 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CCOCCOC)C[C@H]21 ZINC001190227531 790578561 /nfs/dbraw/zinc/57/85/61/790578561.db2.gz MXMDHNZAVWUUIW-QWHCGFSZSA-N 1 0 349.453 -1.269 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001190227724 790579146 /nfs/dbraw/zinc/57/91/46/790579146.db2.gz NJWUPCMQVSIBIZ-NWDGAFQWSA-N 1 0 335.426 -1.923 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001190227729 790578870 /nfs/dbraw/zinc/57/88/70/790578870.db2.gz NUONIOQXAJNFHX-QJPTWQEYSA-N 1 0 335.426 -1.924 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001190227730 790578645 /nfs/dbraw/zinc/57/86/45/790578645.db2.gz NUONIOQXAJNFHX-SDDRHHMPSA-N 1 0 335.426 -1.924 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001190227763 790579301 /nfs/dbraw/zinc/57/93/01/790579301.db2.gz PIGAJFWVIBQPAI-QWHCGFSZSA-N 1 0 341.437 -1.035 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001190227829 790579646 /nfs/dbraw/zinc/57/96/46/790579646.db2.gz SUIWPAJZVGTMHB-QJPTWQEYSA-N 1 0 344.437 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001190227830 790578821 /nfs/dbraw/zinc/57/88/21/790578821.db2.gz SUIWPAJZVGTMHB-SDDRHHMPSA-N 1 0 344.437 -1.653 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246953 790580516 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340.384 -2.081 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247761 790582429 /nfs/dbraw/zinc/58/24/29/790582429.db2.gz SEWXBLQZAIEPSS-GHMZBOCLSA-N 1 0 340.384 -2.083 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247765 790580644 /nfs/dbraw/zinc/58/06/44/790580644.db2.gz SEWXBLQZAIEPSS-MNOVXSKESA-N 1 0 340.384 -2.083 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247766 790581394 /nfs/dbraw/zinc/58/13/94/790581394.db2.gz SEWXBLQZAIEPSS-QWRGUYRKSA-N 1 0 340.384 -2.083 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247767 790581230 /nfs/dbraw/zinc/58/12/30/790581230.db2.gz SEWXBLQZAIEPSS-WDEREUQCSA-N 1 0 340.384 -2.083 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001190329889 790583933 /nfs/dbraw/zinc/58/39/33/790583933.db2.gz VSLJIOLFMCTRRH-CHWSQXEVSA-N 1 0 331.413 -1.321 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001190329890 790584333 /nfs/dbraw/zinc/58/43/33/790584333.db2.gz VSLJIOLFMCTRRH-OLZOCXBDSA-N 1 0 331.413 -1.321 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001190329891 790583482 /nfs/dbraw/zinc/58/34/82/790583482.db2.gz VSLJIOLFMCTRRH-QWHCGFSZSA-N 1 0 331.413 -1.321 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001190329892 790584786 /nfs/dbraw/zinc/58/47/86/790584786.db2.gz VSLJIOLFMCTRRH-STQMWFEESA-N 1 0 331.413 -1.321 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001190338230 790583148 /nfs/dbraw/zinc/58/31/48/790583148.db2.gz ZJEKCWKYLJYCQI-CHWSQXEVSA-N 1 0 338.412 -1.038 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001190338231 790585059 /nfs/dbraw/zinc/58/50/59/790585059.db2.gz ZJEKCWKYLJYCQI-OLZOCXBDSA-N 1 0 338.412 -1.038 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001190338232 790585282 /nfs/dbraw/zinc/58/52/82/790585282.db2.gz 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CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001190342334 790583301 /nfs/dbraw/zinc/58/33/01/790583301.db2.gz VLNSRYWLCIFBSW-WCQYABFASA-N 1 0 336.396 -1.054 20 0 EAADRO COCC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001190342556 790584546 /nfs/dbraw/zinc/58/45/46/790584546.db2.gz ZGJKEZHQWYSXEW-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001190377787 790586825 /nfs/dbraw/zinc/58/68/25/790586825.db2.gz NQURHWZQGPFRHH-RWMBFGLXSA-N 1 0 338.408 -1.123 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001190377793 790586232 /nfs/dbraw/zinc/58/62/32/790586232.db2.gz NQURHWZQGPFRHH-YNEHKIRRSA-N 1 0 338.408 -1.123 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)n(C)c1=O ZINC001190378024 790586295 /nfs/dbraw/zinc/58/62/95/790586295.db2.gz RWWJYIGNWPPUEY-QWHCGFSZSA-N 1 0 338.408 -1.121 20 0 EAADRO C[N@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380104 790587309 /nfs/dbraw/zinc/58/73/09/790587309.db2.gz JZXGZIPZZSKFRP-GFCCVEGCSA-N 1 0 349.395 -1.247 20 0 EAADRO C[N@H+](CCCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380111 790588171 /nfs/dbraw/zinc/58/81/71/790588171.db2.gz JZXGZIPZZSKFRP-LBPRGKRZSA-N 1 0 349.395 -1.247 20 0 EAADRO COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380646 790586393 /nfs/dbraw/zinc/58/63/93/790586393.db2.gz NIGCTVDLDHIVMZ-KBPBESRZSA-N 1 0 341.412 -1.165 20 0 EAADRO COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380647 790585971 /nfs/dbraw/zinc/58/59/71/790585971.db2.gz NIGCTVDLDHIVMZ-KGLIPLIRSA-N 1 0 341.412 -1.165 20 0 EAADRO COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380648 790587206 /nfs/dbraw/zinc/58/72/06/790587206.db2.gz NIGCTVDLDHIVMZ-UONOGXRCSA-N 1 0 341.412 -1.165 20 0 EAADRO COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380649 790586796 /nfs/dbraw/zinc/58/67/96/790586796.db2.gz NIGCTVDLDHIVMZ-ZIAGYGMSSA-N 1 0 341.412 -1.165 20 0 EAADRO CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381102 790587257 /nfs/dbraw/zinc/58/72/57/790587257.db2.gz QZOSYGQHUYVHDO-AWEZNQCLSA-N 1 0 338.412 -1.037 20 0 EAADRO CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381103 790587466 /nfs/dbraw/zinc/58/74/66/790587466.db2.gz QZOSYGQHUYVHDO-CQSZACIVSA-N 1 0 338.412 -1.037 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381442 790587218 /nfs/dbraw/zinc/58/72/18/790587218.db2.gz SHKAEBAKHSEQKE-GHMZBOCLSA-N 1 0 337.384 -1.345 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381444 790587924 /nfs/dbraw/zinc/58/79/24/790587924.db2.gz SHKAEBAKHSEQKE-MNOVXSKESA-N 1 0 337.384 -1.345 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381445 790586757 /nfs/dbraw/zinc/58/67/57/790586757.db2.gz SHKAEBAKHSEQKE-QWRGUYRKSA-N 1 0 337.384 -1.345 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381446 790585830 /nfs/dbraw/zinc/58/58/30/790585830.db2.gz SHKAEBAKHSEQKE-WDEREUQCSA-N 1 0 337.384 -1.345 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001190461826 790590726 /nfs/dbraw/zinc/59/07/26/790590726.db2.gz BQPJAUWKFMIENO-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001190461833 790590014 /nfs/dbraw/zinc/59/00/14/790590014.db2.gz BQPJAUWKFMIENO-NWDGAFQWSA-N 1 0 337.442 -1.534 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001190461834 790590622 /nfs/dbraw/zinc/59/06/22/790590622.db2.gz BQPJAUWKFMIENO-RYUDHWBXSA-N 1 0 337.442 -1.534 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001190461836 790589858 /nfs/dbraw/zinc/58/98/58/790589858.db2.gz BQPJAUWKFMIENO-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO C[N@H+]([C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)[C@@H]1CCNC1=O ZINC001190462067 790588893 /nfs/dbraw/zinc/58/88/93/790588893.db2.gz DQAWEYZPVJLPQZ-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO C[N@H+]([C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001190462071 790589939 /nfs/dbraw/zinc/58/99/39/790589939.db2.gz DQAWEYZPVJLPQZ-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO C[N@H+]([C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001190462074 790590958 /nfs/dbraw/zinc/59/09/58/790590958.db2.gz DQAWEYZPVJLPQZ-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462077 790590177 /nfs/dbraw/zinc/59/01/77/790590177.db2.gz DQAWEYZPVJLPQZ-WDEREUQCSA-N 1 0 332.426 -1.653 20 0 EAADRO C[N@H+]([C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)[C@H]1CCCNC1=O ZINC001190462103 790589367 /nfs/dbraw/zinc/58/93/67/790589367.db2.gz DZZPKTQPVCDVLC-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO C[N@H+]([C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)[C@@H]1CCCNC1=O ZINC001190462105 790590205 /nfs/dbraw/zinc/59/02/05/790590205.db2.gz DZZPKTQPVCDVLC-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO C[N@H+]([C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)[C@H]1CCCNC1=O ZINC001190462107 790590551 /nfs/dbraw/zinc/59/05/51/790590551.db2.gz DZZPKTQPVCDVLC-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO C[N@H+]([C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)[C@@H]1CCCNC1=O ZINC001190462108 790590905 /nfs/dbraw/zinc/59/09/05/790590905.db2.gz DZZPKTQPVCDVLC-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001190462109 790591242 /nfs/dbraw/zinc/59/12/42/790591242.db2.gz FENUUWNNGFUGRC-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001190462110 790589832 /nfs/dbraw/zinc/58/98/32/790589832.db2.gz FENUUWNNGFUGRC-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001190462113 790590533 /nfs/dbraw/zinc/59/05/33/790590533.db2.gz FENUUWNNGFUGRC-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001190462119 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GVBFFGQSTZHSAG-JHJVBQTASA-N 1 0 346.380 -1.940 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001190785829 790616002 /nfs/dbraw/zinc/61/60/02/790616002.db2.gz GVBFFGQSTZHSAG-YNEHKIRRSA-N 1 0 346.380 -1.940 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190802041 790617421 /nfs/dbraw/zinc/61/74/21/790617421.db2.gz USHLEQIQTHZBON-PSASIEDQSA-N 1 0 336.352 -1.088 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190802042 790618674 /nfs/dbraw/zinc/61/86/74/790618674.db2.gz USHLEQIQTHZBON-SCZZXKLOSA-N 1 0 336.352 -1.088 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190802043 790618640 /nfs/dbraw/zinc/61/86/40/790618640.db2.gz USHLEQIQTHZBON-WCBMZHEXSA-N 1 0 336.352 -1.088 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190802044 790618518 /nfs/dbraw/zinc/61/85/18/790618518.db2.gz USHLEQIQTHZBON-WPRPVWTQSA-N 1 0 336.352 -1.088 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001190811461 790620069 /nfs/dbraw/zinc/62/00/69/790620069.db2.gz JBAHTRFLBYFPCM-LERXQTSPSA-N 1 0 336.392 -1.429 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001190811464 790619813 /nfs/dbraw/zinc/61/98/13/790619813.db2.gz JBAHTRFLBYFPCM-ZLKJLUDKSA-N 1 0 336.392 -1.429 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001190831655 790617453 /nfs/dbraw/zinc/61/74/53/790617453.db2.gz MIKAJALLWSQZBT-GHMZBOCLSA-N 1 0 328.369 -1.874 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1O ZINC001190831790 790620521 /nfs/dbraw/zinc/62/05/21/790620521.db2.gz PNVIJMCSXOXJPT-BPLDGKMQSA-N 1 0 346.424 -1.259 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1O ZINC001190831791 790620927 /nfs/dbraw/zinc/62/09/27/790620927.db2.gz PNVIJMCSXOXJPT-NWANDNLSSA-N 1 0 346.424 -1.259 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837475 790620369 /nfs/dbraw/zinc/62/03/69/790620369.db2.gz OOADZWXEQURBEC-BDAKNGLRSA-N 1 0 336.352 -1.088 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837476 790621039 /nfs/dbraw/zinc/62/10/39/790621039.db2.gz OOADZWXEQURBEC-DTWKUNHWSA-N 1 0 336.352 -1.088 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837477 790620168 /nfs/dbraw/zinc/62/01/68/790620168.db2.gz OOADZWXEQURBEC-IUCAKERBSA-N 1 0 336.352 -1.088 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837478 790619950 /nfs/dbraw/zinc/61/99/50/790619950.db2.gz OOADZWXEQURBEC-RKDXNWHRSA-N 1 0 336.352 -1.088 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001190851315 790620755 /nfs/dbraw/zinc/62/07/55/790620755.db2.gz PQLZYTSRSLUCBF-JHJVBQTASA-N 1 0 349.453 -1.534 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001190851316 790621029 /nfs/dbraw/zinc/62/10/29/790621029.db2.gz PQLZYTSRSLUCBF-YNEHKIRRSA-N 1 0 349.453 -1.534 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001190893791 790622616 /nfs/dbraw/zinc/62/26/16/790622616.db2.gz AHONKDOLVQXNPU-GMTAPVOTSA-N 1 0 326.357 -2.926 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001190893793 790622756 /nfs/dbraw/zinc/62/27/56/790622756.db2.gz AHONKDOLVQXNPU-HBNTYKKESA-N 1 0 326.357 -2.926 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001190895154 790624079 /nfs/dbraw/zinc/62/40/79/790624079.db2.gz RLKLAKLIFMCJBV-RKDXNWHRSA-N 1 0 342.318 -1.215 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001190895271 790625255 /nfs/dbraw/zinc/62/52/55/790625255.db2.gz SBINDARNNJGBHN-LERXQTSPSA-N 1 0 344.412 -2.175 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001190895272 790625282 /nfs/dbraw/zinc/62/52/82/790625282.db2.gz SBINDARNNJGBHN-ZLKJLUDKSA-N 1 0 344.412 -2.175 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001190904421 790627118 /nfs/dbraw/zinc/62/71/18/790627118.db2.gz GVPFCLFYJXTUQY-GHMZBOCLSA-N 1 0 327.385 -2.172 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904479 790626690 /nfs/dbraw/zinc/62/66/90/790626690.db2.gz HUXWXWIDIBEZAF-VXGBXAGGSA-N 1 0 341.372 -3.013 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190905339 790627052 /nfs/dbraw/zinc/62/70/52/790627052.db2.gz STGSWVJSNGFCLW-IJLUTSLNSA-N 1 0 344.372 -3.142 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190905341 790626087 /nfs/dbraw/zinc/62/60/87/790626087.db2.gz STGSWVJSNGFCLW-QJPTWQEYSA-N 1 0 344.372 -3.142 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001190921644 790626046 /nfs/dbraw/zinc/62/60/46/790626046.db2.gz BZNDMVKUYKSVAK-JHJVBQTASA-N 1 0 340.384 -1.970 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001190921645 790626988 /nfs/dbraw/zinc/62/69/88/790626988.db2.gz BZNDMVKUYKSVAK-YNEHKIRRSA-N 1 0 340.384 -1.970 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O ZINC001190922533 790624987 /nfs/dbraw/zinc/62/49/87/790624987.db2.gz IMWQDROSYKAANK-JHJVBQTASA-N 1 0 340.384 -1.970 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001190922535 790624565 /nfs/dbraw/zinc/62/45/65/790624565.db2.gz IMWQDROSYKAANK-YNEHKIRRSA-N 1 0 340.384 -1.970 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922573 790624101 /nfs/dbraw/zinc/62/41/01/790624101.db2.gz JFKZPNIUOWODMV-IJLUTSLNSA-N 1 0 339.400 -1.909 20 0 EAADRO CCN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922576 790624344 /nfs/dbraw/zinc/62/43/44/790624344.db2.gz JFKZPNIUOWODMV-QJPTWQEYSA-N 1 0 339.400 -1.909 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922640 790625131 /nfs/dbraw/zinc/62/51/31/790625131.db2.gz KOQGUIGTLHSZBA-IJLUTSLNSA-N 1 0 339.400 -1.910 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922650 790625231 /nfs/dbraw/zinc/62/52/31/790625231.db2.gz KOQGUIGTLHSZBA-QJPTWQEYSA-N 1 0 339.400 -1.910 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O ZINC001190922651 790625165 /nfs/dbraw/zinc/62/51/65/790625165.db2.gz KPSPITOIZKZKNX-RKDXNWHRSA-N 1 0 338.290 -1.587 20 0 EAADRO CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001190922684 790624824 /nfs/dbraw/zinc/62/48/24/790624824.db2.gz LOPFYYLHRSTNBU-VXGBXAGGSA-N 1 0 337.384 -2.155 20 0 EAADRO CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190922861 790624208 /nfs/dbraw/zinc/62/42/08/790624208.db2.gz NIAKZSJZMSCDCV-JHJVBQTASA-N 1 0 340.424 -1.315 20 0 EAADRO CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190922862 790625438 /nfs/dbraw/zinc/62/54/38/790625438.db2.gz NIAKZSJZMSCDCV-YNEHKIRRSA-N 1 0 340.424 -1.315 20 0 EAADRO CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922872 790624452 /nfs/dbraw/zinc/62/44/52/790624452.db2.gz NQSRVFYPVQMICS-GMTAPVOTSA-N 1 0 325.373 -2.251 20 0 EAADRO CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922873 790624480 /nfs/dbraw/zinc/62/44/80/790624480.db2.gz NQSRVFYPVQMICS-HBNTYKKESA-N 1 0 325.373 -2.251 20 0 EAADRO CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190922879 790624055 /nfs/dbraw/zinc/62/40/55/790624055.db2.gz OCFSANOEZFTPJM-CHWSQXEVSA-N 1 0 340.424 -1.362 20 0 EAADRO CCCC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190923093 790624438 /nfs/dbraw/zinc/62/44/38/790624438.db2.gz QJTFVRRKLMRMJS-GMTAPVOTSA-N 1 0 325.373 -2.122 20 0 EAADRO CCCC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190923102 790625022 /nfs/dbraw/zinc/62/50/22/790625022.db2.gz QJTFVRRKLMRMJS-OUAUKWLOSA-N 1 0 325.373 -2.122 20 0 EAADRO O=C(CN1CCCC1=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O ZINC001190923147 790625414 /nfs/dbraw/zinc/62/54/14/790625414.db2.gz RPCGHZLHQWNRCV-CHWSQXEVSA-N 1 0 338.408 -1.704 20 0 EAADRO CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190923206 790625077 /nfs/dbraw/zinc/62/50/77/790625077.db2.gz UTUGERZKGFRSIO-CHWSQXEVSA-N 1 0 340.424 -1.363 20 0 EAADRO CC(C)CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190923215 790625390 /nfs/dbraw/zinc/62/53/90/790625390.db2.gz UZCNOZMWAOTGNN-IJLUTSLNSA-N 1 0 339.400 -2.005 20 0 EAADRO CC(C)CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190923216 790624747 /nfs/dbraw/zinc/62/47/47/790624747.db2.gz UZCNOZMWAOTGNN-QJPTWQEYSA-N 1 0 339.400 -2.005 20 0 EAADRO CN(CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1)S(C)(=O)=O ZINC001190923219 790624508 /nfs/dbraw/zinc/62/45/08/790624508.db2.gz VFGIYOCXLMQHAZ-VXGBXAGGSA-N 1 0 345.425 -1.914 20 0 EAADRO C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190923360 790625352 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342.396 -1.580 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001191392679 790663262 /nfs/dbraw/zinc/66/32/62/790663262.db2.gz KSWFYGIHHUSZIG-VXGBXAGGSA-N 1 0 325.369 -1.520 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191393232 790662829 /nfs/dbraw/zinc/66/28/29/790662829.db2.gz QHHMTOOYDNQTBS-IJLUTSLNSA-N 1 0 349.384 -2.472 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191393233 790663730 /nfs/dbraw/zinc/66/37/30/790663730.db2.gz QHHMTOOYDNQTBS-QJPTWQEYSA-N 1 0 349.384 -2.472 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001191393329 790663531 /nfs/dbraw/zinc/66/35/31/790663531.db2.gz UAIKNQMNMBAKKB-JHJVBQTASA-N 1 0 345.396 -1.301 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001191393330 790663660 /nfs/dbraw/zinc/66/36/60/790663660.db2.gz UAIKNQMNMBAKKB-YNEHKIRRSA-N 1 0 345.396 -1.301 20 0 EAADRO 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/nfs/dbraw/zinc/67/25/52/790672552.db2.gz ANJAMQLYBARSSM-NSHDSACASA-N 1 0 345.429 -2.135 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541638 790673019 /nfs/dbraw/zinc/67/30/19/790673019.db2.gz APNYRARDQSPFRG-NXEZZACHSA-N 1 0 335.430 -2.293 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541655 790672878 /nfs/dbraw/zinc/67/28/78/790672878.db2.gz APNYRARDQSPFRG-UWVGGRQHSA-N 1 0 335.430 -2.293 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541656 790672683 /nfs/dbraw/zinc/67/26/83/790672683.db2.gz APNYRARDQSPFRG-VHSXEESVSA-N 1 0 335.430 -2.293 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541657 790672162 /nfs/dbraw/zinc/67/21/62/790672162.db2.gz APNYRARDQSPFRG-ZJUUUORDSA-N 1 0 335.430 -2.293 20 0 EAADRO CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541679 790672579 /nfs/dbraw/zinc/67/25/79/790672579.db2.gz AVXUPWSIIYWSQG-NXEZZACHSA-N 1 0 335.430 -2.163 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541681 790672595 /nfs/dbraw/zinc/67/25/95/790672595.db2.gz AVXUPWSIIYWSQG-UWVGGRQHSA-N 1 0 335.430 -2.163 20 0 EAADRO CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541682 790672795 /nfs/dbraw/zinc/67/27/95/790672795.db2.gz AVXUPWSIIYWSQG-VHSXEESVSA-N 1 0 335.430 -2.163 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191541683 790672842 /nfs/dbraw/zinc/67/28/42/790672842.db2.gz AVXUPWSIIYWSQG-ZJUUUORDSA-N 1 0 335.430 -2.163 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@H]2CCOC2)C1 ZINC001191541739 790672923 /nfs/dbraw/zinc/67/29/23/790672923.db2.gz BRIFEVZRARUBCM-NEPJUHHUSA-N 1 0 334.442 -1.391 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H]2CCOC2)C1 ZINC001191541741 790672509 /nfs/dbraw/zinc/67/25/09/790672509.db2.gz BRIFEVZRARUBCM-NWDGAFQWSA-N 1 0 334.442 -1.391 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@@H]2CCOC2)C1 ZINC001191541742 790672328 /nfs/dbraw/zinc/67/23/28/790672328.db2.gz BRIFEVZRARUBCM-RYUDHWBXSA-N 1 0 334.442 -1.391 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@H]2CCOC2)C1 ZINC001191541744 790672613 /nfs/dbraw/zinc/67/26/13/790672613.db2.gz BRIFEVZRARUBCM-VXGBXAGGSA-N 1 0 334.442 -1.391 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001191542271 790671982 /nfs/dbraw/zinc/67/19/82/790671982.db2.gz FXRPPJFJGOPTKX-GHMZBOCLSA-N 1 0 347.441 -2.196 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001191542272 790671942 /nfs/dbraw/zinc/67/19/42/790671942.db2.gz FXRPPJFJGOPTKX-MNOVXSKESA-N 1 0 347.441 -2.196 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001191542273 790672856 /nfs/dbraw/zinc/67/28/56/790672856.db2.gz FXRPPJFJGOPTKX-QWRGUYRKSA-N 1 0 347.441 -2.196 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001191542274 790672119 /nfs/dbraw/zinc/67/21/19/790672119.db2.gz FXRPPJFJGOPTKX-WDEREUQCSA-N 1 0 347.441 -2.196 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)C)C1 ZINC001191542303 790672248 /nfs/dbraw/zinc/67/22/48/790672248.db2.gz GIUDEDVTKQEZJY-GHMZBOCLSA-N 1 0 349.457 -1.950 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)C)C1 ZINC001191542307 790672069 /nfs/dbraw/zinc/67/20/69/790672069.db2.gz GIUDEDVTKQEZJY-MNOVXSKESA-N 1 0 349.457 -1.950 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001191542308 790673045 /nfs/dbraw/zinc/67/30/45/790673045.db2.gz GIUDEDVTKQEZJY-QWRGUYRKSA-N 1 0 349.457 -1.950 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001191542309 790672982 /nfs/dbraw/zinc/67/29/82/790672982.db2.gz GIUDEDVTKQEZJY-WDEREUQCSA-N 1 0 349.457 -1.950 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC[C@@H]2CCOC2)C1 ZINC001191543159 790674911 /nfs/dbraw/zinc/67/49/11/790674911.db2.gz KOTWNVSRACRZJI-CHWSQXEVSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC[C@@H]2CCOC2)C1 ZINC001191543162 790674165 /nfs/dbraw/zinc/67/41/65/790674165.db2.gz KOTWNVSRACRZJI-OLZOCXBDSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC[C@H]2CCOC2)C1 ZINC001191543164 790675100 /nfs/dbraw/zinc/67/51/00/790675100.db2.gz KOTWNVSRACRZJI-QWHCGFSZSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC[C@H]2CCOC2)C1 ZINC001191543166 790674646 /nfs/dbraw/zinc/67/46/46/790674646.db2.gz KOTWNVSRACRZJI-STQMWFEESA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001191543643 790674437 /nfs/dbraw/zinc/67/44/37/790674437.db2.gz PETIODILAPDHCJ-GFCCVEGCSA-N 1 0 344.441 -1.530 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC001191543644 790674879 /nfs/dbraw/zinc/67/48/79/790674879.db2.gz PETIODILAPDHCJ-LBPRGKRZSA-N 1 0 344.441 -1.530 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001191543691 790674568 /nfs/dbraw/zinc/67/45/68/790674568.db2.gz QFZAEYAXPNSABW-LLVKDONJSA-N 1 0 338.430 -2.418 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001191543692 790674297 /nfs/dbraw/zinc/67/42/97/790674297.db2.gz QFZAEYAXPNSABW-NSHDSACASA-N 1 0 338.430 -2.418 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC2CCOCC2)C1 ZINC001191543735 790673919 /nfs/dbraw/zinc/67/39/19/790673919.db2.gz RENXTHHULGNIEM-CYBMUJFWSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC001191543736 790674695 /nfs/dbraw/zinc/67/46/95/790674695.db2.gz RENXTHHULGNIEM-ZDUSSCGKSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCC[C@@H](C)O)C1 ZINC001191543817 790675032 /nfs/dbraw/zinc/67/50/32/790675032.db2.gz TTWDVDRFBLMDST-NEPJUHHUSA-N 1 0 336.458 -1.266 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCC[C@H](C)O)C1 ZINC001191543818 790674822 /nfs/dbraw/zinc/67/48/22/790674822.db2.gz TTWDVDRFBLMDST-NWDGAFQWSA-N 1 0 336.458 -1.266 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCC[C@H](C)O)C1 ZINC001191543819 790673976 /nfs/dbraw/zinc/67/39/76/790673976.db2.gz TTWDVDRFBLMDST-RYUDHWBXSA-N 1 0 336.458 -1.266 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCC[C@@H](C)O)C1 ZINC001191543820 790674329 /nfs/dbraw/zinc/67/43/29/790674329.db2.gz TTWDVDRFBLMDST-VXGBXAGGSA-N 1 0 336.458 -1.266 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCOCC2CC2)C1 ZINC001191543837 790674544 /nfs/dbraw/zinc/67/45/44/790674544.db2.gz UIIDREPIFVVDCV-CYBMUJFWSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCOCC2CC2)C1 ZINC001191543838 790674272 /nfs/dbraw/zinc/67/42/72/790674272.db2.gz UIIDREPIFVVDCV-ZDUSSCGKSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCCCOC)C1 ZINC001191543863 790673927 /nfs/dbraw/zinc/67/39/27/790673927.db2.gz VFENIPAUFACSTL-GFCCVEGCSA-N 1 0 336.458 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCCCOC)C1 ZINC001191543864 790674803 /nfs/dbraw/zinc/67/48/03/790674803.db2.gz VFENIPAUFACSTL-LBPRGKRZSA-N 1 0 336.458 -1.001 20 0 EAADRO CCOCCC[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191543899 790674743 /nfs/dbraw/zinc/67/47/43/790674743.db2.gz VVIPWGZOCDGGOL-GFCCVEGCSA-N 1 0 336.458 -1.001 20 0 EAADRO CCOCCC[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191543900 790674153 /nfs/dbraw/zinc/67/41/53/790674153.db2.gz VVIPWGZOCDGGOL-LBPRGKRZSA-N 1 0 336.458 -1.001 20 0 EAADRO CC[C@@H](C[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1)OC ZINC001191544091 790674016 /nfs/dbraw/zinc/67/40/16/790674016.db2.gz YOBUFKBMLJCQSL-NEPJUHHUSA-N 1 0 336.458 -1.002 20 0 EAADRO CC[C@H](C[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1)OC ZINC001191544092 790673797 /nfs/dbraw/zinc/67/37/97/790673797.db2.gz YOBUFKBMLJCQSL-NWDGAFQWSA-N 1 0 336.458 -1.002 20 0 EAADRO CC[C@@H](C[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1)OC ZINC001191544093 790673903 /nfs/dbraw/zinc/67/39/03/790673903.db2.gz YOBUFKBMLJCQSL-RYUDHWBXSA-N 1 0 336.458 -1.002 20 0 EAADRO CC[C@H](C[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1)OC ZINC001191544094 790674508 /nfs/dbraw/zinc/67/45/08/790674508.db2.gz YOBUFKBMLJCQSL-VXGBXAGGSA-N 1 0 336.458 -1.002 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCOC(C)C)C1 ZINC001191552350 790677120 /nfs/dbraw/zinc/67/71/20/790677120.db2.gz VPWHLNKRMABHRF-GFCCVEGCSA-N 1 0 336.458 -1.002 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCOC(C)C)C1 ZINC001191552352 790676572 /nfs/dbraw/zinc/67/65/72/790676572.db2.gz VPWHLNKRMABHRF-LBPRGKRZSA-N 1 0 336.458 -1.002 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001191560383 790677000 /nfs/dbraw/zinc/67/70/00/790677000.db2.gz DUACEAGBAYBKKY-GHMZBOCLSA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001191560384 790676514 /nfs/dbraw/zinc/67/65/14/790676514.db2.gz DUACEAGBAYBKKY-MNOVXSKESA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001191560385 790676866 /nfs/dbraw/zinc/67/68/66/790676866.db2.gz DUACEAGBAYBKKY-QWRGUYRKSA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001191560386 790676692 /nfs/dbraw/zinc/67/66/92/790676692.db2.gz DUACEAGBAYBKKY-WDEREUQCSA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@H]2CCCOC2)C1 ZINC001191561776 790676953 /nfs/dbraw/zinc/67/69/53/790676953.db2.gz UEDJYPRXSAFHPW-CHWSQXEVSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@H]2CCCOC2)C1 ZINC001191561777 790676171 /nfs/dbraw/zinc/67/61/71/790676171.db2.gz UEDJYPRXSAFHPW-OLZOCXBDSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC001191561778 790677143 /nfs/dbraw/zinc/67/71/43/790677143.db2.gz UEDJYPRXSAFHPW-QWHCGFSZSA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC001191561779 790677203 /nfs/dbraw/zinc/67/72/03/790677203.db2.gz UEDJYPRXSAFHPW-STQMWFEESA-N 1 0 348.469 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001191561912 790678206 /nfs/dbraw/zinc/67/82/06/790678206.db2.gz VAHLCBQWBJJZSB-NXEZZACHSA-N 1 0 333.414 -2.539 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001191561913 790678270 /nfs/dbraw/zinc/67/82/70/790678270.db2.gz VAHLCBQWBJJZSB-UWVGGRQHSA-N 1 0 333.414 -2.539 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001191561914 790679039 /nfs/dbraw/zinc/67/90/39/790679039.db2.gz VAHLCBQWBJJZSB-VHSXEESVSA-N 1 0 333.414 -2.539 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001191561915 790678337 /nfs/dbraw/zinc/67/83/37/790678337.db2.gz VAHLCBQWBJJZSB-ZJUUUORDSA-N 1 0 333.414 -2.539 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001191562113 790678260 /nfs/dbraw/zinc/67/82/60/790678260.db2.gz YCROITLDPYKGCB-GHMZBOCLSA-N 1 0 338.430 -2.420 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001191562114 790678311 /nfs/dbraw/zinc/67/83/11/790678311.db2.gz YCROITLDPYKGCB-MNOVXSKESA-N 1 0 338.430 -2.420 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001191562115 790678298 /nfs/dbraw/zinc/67/82/98/790678298.db2.gz YCROITLDPYKGCB-QWRGUYRKSA-N 1 0 338.430 -2.420 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001191562116 790678328 /nfs/dbraw/zinc/67/83/28/790678328.db2.gz YCROITLDPYKGCB-WDEREUQCSA-N 1 0 338.430 -2.420 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC001191562147 790678720 /nfs/dbraw/zinc/67/87/20/790678720.db2.gz YVVGLTAGGAZTCT-GFCCVEGCSA-N 1 0 344.441 -1.493 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC001191562148 790678926 /nfs/dbraw/zinc/67/89/26/790678926.db2.gz YVVGLTAGGAZTCT-LBPRGKRZSA-N 1 0 344.441 -1.493 20 0 EAADRO CC(C)OCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001191572899 790679490 /nfs/dbraw/zinc/67/94/90/790679490.db2.gz AOFGQWRGEUCOTH-VXGBXAGGSA-N 1 0 342.396 -1.485 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573182 790678349 /nfs/dbraw/zinc/67/83/49/790678349.db2.gz HDGTXJJHHJKLHD-BFHYXJOUSA-N 1 0 334.413 -1.403 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573183 790678974 /nfs/dbraw/zinc/67/89/74/790678974.db2.gz HDGTXJJHHJKLHD-MGPQQGTHSA-N 1 0 334.413 -1.403 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001191580116 790675131 /nfs/dbraw/zinc/67/51/31/790675131.db2.gz DHHUEWJYCNZLJH-OUCADQQQSA-N 1 0 342.396 -1.781 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001191580117 790673959 /nfs/dbraw/zinc/67/39/59/790673959.db2.gz DHHUEWJYCNZLJH-YRGRVCCFSA-N 1 0 342.396 -1.781 20 0 EAADRO CCCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001191580874 790676309 /nfs/dbraw/zinc/67/63/09/790676309.db2.gz QYFYHLAIRHWNMV-BFHYXJOUSA-N 1 0 334.413 -1.402 20 0 EAADRO CCCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001191580875 790676759 /nfs/dbraw/zinc/67/67/59/790676759.db2.gz QYFYHLAIRHWNMV-MGPQQGTHSA-N 1 0 334.413 -1.402 20 0 EAADRO CCCOCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001191581340 790677056 /nfs/dbraw/zinc/67/70/56/790677056.db2.gz XXYZIPRNDBILGT-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO CCCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001191589318 790677043 /nfs/dbraw/zinc/67/70/43/790677043.db2.gz REMLDTVPWRSUHI-BFHYXJOUSA-N 1 0 326.397 -1.168 20 0 EAADRO CCCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001191589320 790676122 /nfs/dbraw/zinc/67/61/22/790676122.db2.gz REMLDTVPWRSUHI-MGPQQGTHSA-N 1 0 326.397 -1.168 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001191637329 790681136 /nfs/dbraw/zinc/68/11/36/790681136.db2.gz FEOQZGVEEXSPQD-RBSFLKMASA-N 1 0 343.424 -1.273 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001191637330 790681242 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790702651 /nfs/dbraw/zinc/70/26/51/790702651.db2.gz MAOHHBAGBOMMOS-ZIAGYGMSSA-N 1 0 339.396 -1.734 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001191952644 790704191 /nfs/dbraw/zinc/70/41/91/790704191.db2.gz WLLNMOQFDQOMDP-BFHYXJOUSA-N 1 0 342.396 -1.863 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001191952650 790702937 /nfs/dbraw/zinc/70/29/37/790702937.db2.gz WLLNMOQFDQOMDP-MGPQQGTHSA-N 1 0 342.396 -1.863 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001191977477 790709577 /nfs/dbraw/zinc/70/95/77/790709577.db2.gz DLQVHNRIAKIJTI-GMTAPVOTSA-N 1 0 348.425 -2.695 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001191977481 790709710 /nfs/dbraw/zinc/70/97/10/790709710.db2.gz DLQVHNRIAKIJTI-HBNTYKKESA-N 1 0 348.425 -2.695 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001191978029 790709611 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327.341 -3.035 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191989071 790705516 /nfs/dbraw/zinc/70/55/16/790705516.db2.gz WYTHGKRILJTRKA-RKDXNWHRSA-N 1 0 327.303 -1.008 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1O ZINC001191995049 790706529 /nfs/dbraw/zinc/70/65/29/790706529.db2.gz GQTCKXRHXQRZJH-CYZMBNFOSA-N 1 0 345.396 -2.420 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1O ZINC001191995057 790704925 /nfs/dbraw/zinc/70/49/25/790704925.db2.gz GQTCKXRHXQRZJH-RAIGVLPGSA-N 1 0 345.396 -2.420 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001191995936 790707192 /nfs/dbraw/zinc/70/71/92/790707192.db2.gz WDXFKKKKMOCXRG-CYZMBNFOSA-N 1 0 341.364 -1.806 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1O ZINC001191995937 790708200 /nfs/dbraw/zinc/70/82/00/790708200.db2.gz WDXFKKKKMOCXRG-RAIGVLPGSA-N 1 0 341.364 -1.806 20 0 EAADRO 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340.380 -1.025 20 0 EAADRO CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001192671872 790774966 /nfs/dbraw/zinc/77/49/66/790774966.db2.gz SAFGBAMBWJWULN-QWRGUYRKSA-N 1 0 340.380 -1.025 20 0 EAADRO CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001192671874 790774904 /nfs/dbraw/zinc/77/49/04/790774904.db2.gz SAFGBAMBWJWULN-WDEREUQCSA-N 1 0 340.380 -1.025 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([N@H+](C)CCCO)C2)C1=O ZINC001192672670 790774207 /nfs/dbraw/zinc/77/42/07/790774207.db2.gz WLVAALJIZMEVLE-JTQLQIEISA-N 1 0 326.353 -1.678 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([N@H+](C)CCCO)C2)C1=O ZINC001192672671 790775835 /nfs/dbraw/zinc/77/58/35/790775835.db2.gz WLVAALJIZMEVLE-SNVBAGLBSA-N 1 0 326.353 -1.678 20 0 EAADRO COC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001192672682 790776351 /nfs/dbraw/zinc/77/63/51/790776351.db2.gz WPPHIWWUZGHJCG-GHMZBOCLSA-N 1 0 340.380 -1.025 20 0 EAADRO 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COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696794 790778842 /nfs/dbraw/zinc/77/88/42/790778842.db2.gz WSXAGGCQCPPPJJ-AGIUHOORSA-N 1 0 344.412 -2.094 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696795 790778285 /nfs/dbraw/zinc/77/82/85/790778285.db2.gz WSXAGGCQCPPPJJ-AVGNSLFASA-N 1 0 344.412 -2.094 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696796 790779065 /nfs/dbraw/zinc/77/90/65/790779065.db2.gz WSXAGGCQCPPPJJ-UPJWGTAASA-N 1 0 344.412 -2.094 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696797 790779221 /nfs/dbraw/zinc/77/92/21/790779221.db2.gz WSXAGGCQCPPPJJ-XQQFMLRXSA-N 1 0 344.412 -2.094 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O ZINC001192702034 790778958 /nfs/dbraw/zinc/77/89/58/790778958.db2.gz HOQWOIBDUGNXKB-VXGBXAGGSA-N 1 0 332.401 -1.870 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001192702054 790777761 /nfs/dbraw/zinc/77/77/61/790777761.db2.gz HUXCLQDZYFLMMA-CHWSQXEVSA-N 1 0 338.412 -1.557 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001192702108 790778173 /nfs/dbraw/zinc/77/81/73/790778173.db2.gz JIUHZICUOULLAR-JHJVBQTASA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001192702109 790778751 /nfs/dbraw/zinc/77/87/51/790778751.db2.gz JIUHZICUOULLAR-YNEHKIRRSA-N 1 0 328.413 -1.107 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001192702270 790777807 /nfs/dbraw/zinc/77/78/07/790777807.db2.gz KAPSMASMBGFNBQ-IJLUTSLNSA-N 1 0 335.351 -1.044 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001192702271 790779198 /nfs/dbraw/zinc/77/91/98/790779198.db2.gz KAPSMASMBGFNBQ-QJPTWQEYSA-N 1 0 335.351 -1.044 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001192702987 790779874 /nfs/dbraw/zinc/77/98/74/790779874.db2.gz ZDAJWGXAEPHGLK-JHJVBQTASA-N 1 0 328.413 -1.107 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001192702988 790780091 /nfs/dbraw/zinc/78/00/91/790780091.db2.gz ZDAJWGXAEPHGLK-YNEHKIRRSA-N 1 0 328.413 -1.107 20 0 EAADRO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192724672 790782332 /nfs/dbraw/zinc/78/23/32/790782332.db2.gz WNZWYDOXCVQBFN-NXEZZACHSA-N 1 0 334.442 -1.279 20 0 EAADRO C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192724673 790782612 /nfs/dbraw/zinc/78/26/12/790782612.db2.gz WNZWYDOXCVQBFN-UWVGGRQHSA-N 1 0 334.442 -1.279 20 0 EAADRO C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192724774 790781822 /nfs/dbraw/zinc/78/18/22/790781822.db2.gz WNZWYDOXCVQBFN-VHSXEESVSA-N 1 0 334.442 -1.279 20 0 EAADRO C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192724775 790783097 /nfs/dbraw/zinc/78/30/97/790783097.db2.gz WNZWYDOXCVQBFN-ZJUUUORDSA-N 1 0 334.442 -1.279 20 0 EAADRO C[N@H+]([C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)[C@@H]1CCNC1=O ZINC001192748887 790784373 /nfs/dbraw/zinc/78/43/73/790784373.db2.gz HFYPTGHRJCDXPM-GHMZBOCLSA-N 1 0 346.453 -1.265 20 0 EAADRO C[N@H+]([C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001192748888 790785271 /nfs/dbraw/zinc/78/52/71/790785271.db2.gz HFYPTGHRJCDXPM-MNOVXSKESA-N 1 0 346.453 -1.265 20 0 EAADRO C[N@H+]([C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001192748889 790785160 /nfs/dbraw/zinc/78/51/60/790785160.db2.gz HFYPTGHRJCDXPM-QWRGUYRKSA-N 1 0 346.453 -1.265 20 0 EAADRO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192748890 790783897 /nfs/dbraw/zinc/78/38/97/790783897.db2.gz HFYPTGHRJCDXPM-WDEREUQCSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192750311 790784247 /nfs/dbraw/zinc/78/42/47/790784247.db2.gz WWHZEKLGDNGBTC-GHMZBOCLSA-N 1 0 348.469 -1.019 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192750312 790785000 /nfs/dbraw/zinc/78/50/00/790785000.db2.gz WWHZEKLGDNGBTC-MNOVXSKESA-N 1 0 348.469 -1.019 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192750313 790784504 /nfs/dbraw/zinc/78/45/04/790784504.db2.gz WWHZEKLGDNGBTC-QWRGUYRKSA-N 1 0 348.469 -1.019 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192750314 790785459 /nfs/dbraw/zinc/78/54/59/790785459.db2.gz WWHZEKLGDNGBTC-WDEREUQCSA-N 1 0 348.469 -1.019 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192758048 790786031 /nfs/dbraw/zinc/78/60/31/790786031.db2.gz HLKPVGJZZXDRNO-GHMZBOCLSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192758051 790784853 /nfs/dbraw/zinc/78/48/53/790784853.db2.gz HLKPVGJZZXDRNO-MNOVXSKESA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192758052 790783955 /nfs/dbraw/zinc/78/39/55/790783955.db2.gz HLKPVGJZZXDRNO-QWRGUYRKSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192758053 790784752 /nfs/dbraw/zinc/78/47/52/790784752.db2.gz HLKPVGJZZXDRNO-WDEREUQCSA-N 1 0 341.412 -1.159 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192758522 790785889 /nfs/dbraw/zinc/78/58/89/790785889.db2.gz KIMHPIWGJLKMLH-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192758528 790785283 /nfs/dbraw/zinc/78/52/83/790785283.db2.gz KIMHPIWGJLKMLH-NSHDSACASA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192759526 790783759 /nfs/dbraw/zinc/78/37/59/790783759.db2.gz RJAWMBRPTIEBSU-NXEZZACHSA-N 1 0 327.385 -1.419 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192759527 790785087 /nfs/dbraw/zinc/78/50/87/790785087.db2.gz RJAWMBRPTIEBSU-UWVGGRQHSA-N 1 0 327.385 -1.419 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192759528 790785257 /nfs/dbraw/zinc/78/52/57/790785257.db2.gz RJAWMBRPTIEBSU-VHSXEESVSA-N 1 0 327.385 -1.419 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192759529 790785012 /nfs/dbraw/zinc/78/50/12/790785012.db2.gz RJAWMBRPTIEBSU-ZJUUUORDSA-N 1 0 327.385 -1.419 20 0 EAADRO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001192784917 790785100 /nfs/dbraw/zinc/78/51/00/790785100.db2.gz OWOKHXHWUSBNQN-BFHYXJOUSA-N 1 0 338.408 -1.290 20 0 EAADRO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001192784918 790784958 /nfs/dbraw/zinc/78/49/58/790784958.db2.gz OWOKHXHWUSBNQN-MGPQQGTHSA-N 1 0 338.408 -1.290 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785254 790785608 /nfs/dbraw/zinc/78/56/08/790785608.db2.gz SBHRUSDEKWKEAT-BFHYXJOUSA-N 1 0 346.424 -1.523 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785259 790785022 /nfs/dbraw/zinc/78/50/22/790785022.db2.gz SBHRUSDEKWKEAT-MGPQQGTHSA-N 1 0 346.424 -1.523 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)S1(=O)=O ZINC001192795362 790787476 /nfs/dbraw/zinc/78/74/76/790787476.db2.gz XKPZFBUUKFPSIK-CHWSQXEVSA-N 1 0 349.453 -1.438 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)S1(=O)=O ZINC001192795363 790787178 /nfs/dbraw/zinc/78/71/78/790787178.db2.gz XKPZFBUUKFPSIK-OLZOCXBDSA-N 1 0 349.453 -1.438 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)S1(=O)=O ZINC001192795364 790787652 /nfs/dbraw/zinc/78/76/52/790787652.db2.gz XKPZFBUUKFPSIK-QWHCGFSZSA-N 1 0 349.453 -1.438 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)S1(=O)=O ZINC001192795365 790786839 /nfs/dbraw/zinc/78/68/39/790786839.db2.gz XKPZFBUUKFPSIK-STQMWFEESA-N 1 0 349.453 -1.438 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192804891 790788455 /nfs/dbraw/zinc/78/84/55/790788455.db2.gz LRTYZHNYOYEXIP-ZIAGYGMSSA-N 1 0 343.424 -1.395 20 0 EAADRO C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192836818 790790292 /nfs/dbraw/zinc/79/02/92/790790292.db2.gz CUFKRSUBOQZSCY-GFCCVEGCSA-N 1 0 327.381 -1.419 20 0 EAADRO C[N@H+](CCOCCO)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192836819 790789807 /nfs/dbraw/zinc/78/98/07/790789807.db2.gz CUFKRSUBOQZSCY-LBPRGKRZSA-N 1 0 327.381 -1.419 20 0 EAADRO COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837975 790790905 /nfs/dbraw/zinc/79/09/05/790790905.db2.gz SRYNWIWBTNPVFN-CHWSQXEVSA-N 1 0 341.412 -1.015 20 0 EAADRO COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837976 790789851 /nfs/dbraw/zinc/78/98/51/790789851.db2.gz SRYNWIWBTNPVFN-OLZOCXBDSA-N 1 0 341.412 -1.015 20 0 EAADRO COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837977 790790560 /nfs/dbraw/zinc/79/05/60/790790560.db2.gz SRYNWIWBTNPVFN-QWHCGFSZSA-N 1 0 341.412 -1.015 20 0 EAADRO COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837978 790790426 /nfs/dbraw/zinc/79/04/26/790790426.db2.gz SRYNWIWBTNPVFN-STQMWFEESA-N 1 0 341.412 -1.015 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192838473 790789559 /nfs/dbraw/zinc/78/95/59/790789559.db2.gz ZZZDBLGMKZUOHR-NEPJUHHUSA-N 1 0 327.381 -1.421 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192838478 790790378 /nfs/dbraw/zinc/79/03/78/790790378.db2.gz ZZZDBLGMKZUOHR-NWDGAFQWSA-N 1 0 327.381 -1.421 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192838479 790790181 /nfs/dbraw/zinc/79/01/81/790790181.db2.gz ZZZDBLGMKZUOHR-RYUDHWBXSA-N 1 0 327.381 -1.421 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192838480 790789185 /nfs/dbraw/zinc/78/91/85/790789185.db2.gz ZZZDBLGMKZUOHR-VXGBXAGGSA-N 1 0 327.381 -1.421 20 0 EAADRO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001192844321 790790075 /nfs/dbraw/zinc/79/00/75/790790075.db2.gz PDTOLDMFLUQQIU-DGCLKSJQSA-N 1 0 327.385 -1.264 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001192844434 790791484 /nfs/dbraw/zinc/79/14/84/790791484.db2.gz SVYQVTGPKDVPSH-GRYCIOLGSA-N 1 0 341.412 -1.785 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001192844435 790789971 /nfs/dbraw/zinc/78/99/71/790789971.db2.gz SVYQVTGPKDVPSH-IJLUTSLNSA-N 1 0 341.412 -1.785 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@H]2O)nn1 ZINC001192844555 790789996 /nfs/dbraw/zinc/78/99/96/790789996.db2.gz XVFWTFWGLGLPJG-OUCADQQQSA-N 1 0 341.412 -1.140 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]2O)nn1 ZINC001192844556 790788989 /nfs/dbraw/zinc/78/89/89/790788989.db2.gz XVFWTFWGLGLPJG-YRGRVCCFSA-N 1 0 341.412 -1.140 20 0 EAADRO 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ZINC001192846322 790790442 /nfs/dbraw/zinc/79/04/42/790790442.db2.gz LSTTWRDANHBRIQ-ZJUUUORDSA-N 1 0 337.384 -1.195 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001192858140 790792699 /nfs/dbraw/zinc/79/26/99/790792699.db2.gz NFYZWDFHSJQPNK-NXEZZACHSA-N 1 0 339.396 -1.371 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001192858141 790793673 /nfs/dbraw/zinc/79/36/73/790793673.db2.gz NFYZWDFHSJQPNK-UWVGGRQHSA-N 1 0 339.396 -1.371 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001192858142 790792109 /nfs/dbraw/zinc/79/21/09/790792109.db2.gz NFYZWDFHSJQPNK-VHSXEESVSA-N 1 0 339.396 -1.371 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001192858143 790792089 /nfs/dbraw/zinc/79/20/89/790792089.db2.gz NFYZWDFHSJQPNK-ZJUUUORDSA-N 1 0 339.396 -1.371 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001192858295 790793536 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337.442 -1.488 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001192924961 790799591 /nfs/dbraw/zinc/79/95/91/790799591.db2.gz QOQVXPKGCFQYAJ-IJLUTSLNSA-N 1 0 337.442 -1.752 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1O ZINC001192924963 790799834 /nfs/dbraw/zinc/79/98/34/790799834.db2.gz QOQVXPKGCFQYAJ-QJPTWQEYSA-N 1 0 337.442 -1.752 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001192924970 790799699 /nfs/dbraw/zinc/79/96/99/790799699.db2.gz QWIPFVIPKQIRGX-JHJVBQTASA-N 1 0 349.453 -1.344 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001192924971 790800922 /nfs/dbraw/zinc/80/09/22/790800922.db2.gz QWIPFVIPKQIRGX-YNEHKIRRSA-N 1 0 349.453 -1.344 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192925159 790799958 /nfs/dbraw/zinc/79/99/58/790799958.db2.gz VSPSXJSDYWIIEV-GMTAPVOTSA-N 1 0 339.414 -2.906 20 0 EAADRO 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331.413 -1.587 20 0 EAADRO CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488036 790860204 /nfs/dbraw/zinc/86/02/04/790860204.db2.gz LAWNSBMFAUXQNB-GFCCVEGCSA-N 1 0 325.417 -1.179 20 0 EAADRO CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488037 790859461 /nfs/dbraw/zinc/85/94/61/790859461.db2.gz LAWNSBMFAUXQNB-LBPRGKRZSA-N 1 0 325.417 -1.179 20 0 EAADRO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193488299 790860076 /nfs/dbraw/zinc/86/00/76/790860076.db2.gz BEKQHTYFNREJQF-VXGBXAGGSA-N 1 0 337.442 -1.536 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001193488301 790859823 /nfs/dbraw/zinc/85/98/23/790859823.db2.gz BKIWALFQFHMPOL-VXGBXAGGSA-N 1 0 340.380 -2.255 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001193488323 790860030 /nfs/dbraw/zinc/86/00/30/790860030.db2.gz CONRINTTYVKISJ-JHJVBQTASA-N 1 0 329.397 -1.977 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 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ZINC001193786059 790884010 /nfs/dbraw/zinc/88/40/10/790884010.db2.gz DGGSFFRETXRJTC-RYUDHWBXSA-N 1 0 337.442 -1.582 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193786060 790885249 /nfs/dbraw/zinc/88/52/49/790885249.db2.gz DGGSFFRETXRJTC-VXGBXAGGSA-N 1 0 337.442 -1.582 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001193786087 790886934 /nfs/dbraw/zinc/88/69/34/790886934.db2.gz DWZWQBNYWUCAPT-GFCCVEGCSA-N 1 0 337.442 -1.581 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001193786088 790886800 /nfs/dbraw/zinc/88/68/00/790886800.db2.gz DWZWQBNYWUCAPT-LBPRGKRZSA-N 1 0 337.442 -1.581 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)c(=O)n1C ZINC001193786089 790885449 /nfs/dbraw/zinc/88/54/49/790885449.db2.gz DXYLNNNTMKNVBE-CYBMUJFWSA-N 1 0 341.412 -1.568 20 0 EAADRO Cc1nn(CC(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)c(=O)n1C ZINC001193786090 790886108 /nfs/dbraw/zinc/88/61/08/790886108.db2.gz DXYLNNNTMKNVBE-ZDUSSCGKSA-N 1 0 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ZINC001193787753 790886652 /nfs/dbraw/zinc/88/66/52/790886652.db2.gz SVSWIAUZPNGEFR-CHWSQXEVSA-N 1 0 341.412 -1.570 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193787756 790886351 /nfs/dbraw/zinc/88/63/51/790886351.db2.gz SVSWIAUZPNGEFR-OLZOCXBDSA-N 1 0 341.412 -1.570 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193787757 790886905 /nfs/dbraw/zinc/88/69/05/790886905.db2.gz SVSWIAUZPNGEFR-QWHCGFSZSA-N 1 0 341.412 -1.570 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193787758 790886836 /nfs/dbraw/zinc/88/68/36/790886836.db2.gz SVSWIAUZPNGEFR-STQMWFEESA-N 1 0 341.412 -1.570 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001193787937 790885632 /nfs/dbraw/zinc/88/56/32/790885632.db2.gz VEHDKMDDKKPNIW-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001193787939 790884714 /nfs/dbraw/zinc/88/47/14/790884714.db2.gz VEHDKMDDKKPNIW-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001193787941 790885521 /nfs/dbraw/zinc/88/55/21/790885521.db2.gz VEHDKMDDKKPNIW-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001193787942 790885486 /nfs/dbraw/zinc/88/54/86/790885486.db2.gz VEHDKMDDKKPNIW-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001193787966 790885792 /nfs/dbraw/zinc/88/57/92/790885792.db2.gz VIJPUOCYCOJVSV-NEPJUHHUSA-N 1 0 346.453 -1.359 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001193787967 790886766 /nfs/dbraw/zinc/88/67/66/790886766.db2.gz VIJPUOCYCOJVSV-NWDGAFQWSA-N 1 0 346.453 -1.359 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001193787968 790883965 /nfs/dbraw/zinc/88/39/65/790883965.db2.gz VIJPUOCYCOJVSV-RYUDHWBXSA-N 1 0 346.453 -1.359 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001193787970 790884192 /nfs/dbraw/zinc/88/41/92/790884192.db2.gz VIJPUOCYCOJVSV-VXGBXAGGSA-N 1 0 346.453 -1.359 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)C1 ZINC001193788003 790884784 /nfs/dbraw/zinc/88/47/84/790884784.db2.gz VVWANVMUBWJYMB-CABCVRRESA-N 1 0 343.424 -1.225 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)C1 ZINC001193788006 790886621 /nfs/dbraw/zinc/88/66/21/790886621.db2.gz VVWANVMUBWJYMB-GJZGRUSLSA-N 1 0 343.424 -1.225 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)C1 ZINC001193788007 790886553 /nfs/dbraw/zinc/88/65/53/790886553.db2.gz VVWANVMUBWJYMB-HUUCEWRRSA-N 1 0 343.424 -1.225 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)C1 ZINC001193788008 790886222 /nfs/dbraw/zinc/88/62/22/790886222.db2.gz VVWANVMUBWJYMB-LSDHHAIUSA-N 1 0 343.424 -1.225 20 0 EAADRO CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788062 790886027 /nfs/dbraw/zinc/88/60/27/790886027.db2.gz XBHPRGGLZZWNDA-GHMZBOCLSA-N 1 0 334.442 -1.326 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788063 790886065 /nfs/dbraw/zinc/88/60/65/790886065.db2.gz XBHPRGGLZZWNDA-MNOVXSKESA-N 1 0 334.442 -1.326 20 0 EAADRO CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788064 790886410 /nfs/dbraw/zinc/88/64/10/790886410.db2.gz XBHPRGGLZZWNDA-QWRGUYRKSA-N 1 0 334.442 -1.326 20 0 EAADRO CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788067 790889965 /nfs/dbraw/zinc/88/99/65/790889965.db2.gz XBHPRGGLZZWNDA-WDEREUQCSA-N 1 0 334.442 -1.326 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193788260 790887987 /nfs/dbraw/zinc/88/79/87/790887987.db2.gz YSHRFMYYONRKFC-CMPLNLGQSA-N 1 0 338.412 -1.443 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193788262 790889534 /nfs/dbraw/zinc/88/95/34/790889534.db2.gz 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CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193939980 790900719 /nfs/dbraw/zinc/90/07/19/790900719.db2.gz FPSMOUONSYMEEL-ZJUUUORDSA-N 1 0 342.400 -1.578 20 0 EAADRO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001193940013 790900829 /nfs/dbraw/zinc/90/08/29/790900829.db2.gz GGYKNLAQIJOAFV-GHMZBOCLSA-N 1 0 339.396 -1.275 20 0 EAADRO C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001193940014 790900688 /nfs/dbraw/zinc/90/06/88/790900688.db2.gz GGYKNLAQIJOAFV-MNOVXSKESA-N 1 0 339.396 -1.275 20 0 EAADRO C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001193940015 790900767 /nfs/dbraw/zinc/90/07/67/790900767.db2.gz GGYKNLAQIJOAFV-QWRGUYRKSA-N 1 0 339.396 -1.275 20 0 EAADRO C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001193940016 790902187 /nfs/dbraw/zinc/90/21/87/790902187.db2.gz GGYKNLAQIJOAFV-WDEREUQCSA-N 1 0 339.396 -1.275 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193940557 790901499 /nfs/dbraw/zinc/90/14/99/790901499.db2.gz KRJBULRVRYMGFS-BDAKNGLRSA-N 1 0 328.373 -1.839 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193940558 790901605 /nfs/dbraw/zinc/90/16/05/790901605.db2.gz KRJBULRVRYMGFS-DTWKUNHWSA-N 1 0 328.373 -1.839 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193940559 790902155 /nfs/dbraw/zinc/90/21/55/790902155.db2.gz KRJBULRVRYMGFS-IUCAKERBSA-N 1 0 328.373 -1.839 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193940560 790902173 /nfs/dbraw/zinc/90/21/73/790902173.db2.gz KRJBULRVRYMGFS-RKDXNWHRSA-N 1 0 328.373 -1.839 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001193941183 790909234 /nfs/dbraw/zinc/90/92/34/790909234.db2.gz SUPFKWSTFPTXMA-NEPJUHHUSA-N 1 0 349.391 -1.036 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001193941185 790908620 /nfs/dbraw/zinc/90/86/20/790908620.db2.gz SUPFKWSTFPTXMA-NWDGAFQWSA-N 1 0 349.391 -1.036 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001193941187 790909259 /nfs/dbraw/zinc/90/92/59/790909259.db2.gz SUPFKWSTFPTXMA-RYUDHWBXSA-N 1 0 349.391 -1.036 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001193941188 790907357 /nfs/dbraw/zinc/90/73/57/790907357.db2.gz SUPFKWSTFPTXMA-VXGBXAGGSA-N 1 0 349.391 -1.036 20 0 EAADRO C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193941391 790900501 /nfs/dbraw/zinc/90/05/01/790900501.db2.gz XLEPCMRFFTWHHM-LLVKDONJSA-N 1 0 339.396 -1.274 20 0 EAADRO C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193941392 790901449 /nfs/dbraw/zinc/90/14/49/790901449.db2.gz XLEPCMRFFTWHHM-NSHDSACASA-N 1 0 339.396 -1.274 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001193946905 790912624 /nfs/dbraw/zinc/91/26/24/790912624.db2.gz DQFUGLGNOODHPI-JHJVBQTASA-N 1 0 343.424 -1.145 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001193946906 790913515 /nfs/dbraw/zinc/91/35/15/790913515.db2.gz DQFUGLGNOODHPI-YNEHKIRRSA-N 1 0 343.424 -1.145 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001193946929 790913586 /nfs/dbraw/zinc/91/35/86/790913586.db2.gz FBANLBYRBXPMLU-IJLUTSLNSA-N 1 0 340.424 -1.425 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001193946931 790913333 /nfs/dbraw/zinc/91/33/33/790913333.db2.gz FBANLBYRBXPMLU-QJPTWQEYSA-N 1 0 340.424 -1.425 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001193946974 790912004 /nfs/dbraw/zinc/91/20/04/790912004.db2.gz FKEAYAFNGZPPPT-GMTAPVOTSA-N 1 0 336.396 -1.562 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001193946982 790913618 /nfs/dbraw/zinc/91/36/18/790913618.db2.gz FKEAYAFNGZPPPT-HBNTYKKESA-N 1 0 336.396 -1.562 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947225 790913544 /nfs/dbraw/zinc/91/35/44/790913544.db2.gz KSCFFMWWMMJCLP-VXGBXAGGSA-N 1 0 344.412 -2.188 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947270 790913176 /nfs/dbraw/zinc/91/31/76/790913176.db2.gz LZRYIEKELNUITD-IJLUTSLNSA-N 1 0 347.412 -2.317 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947273 790912235 /nfs/dbraw/zinc/91/22/35/790912235.db2.gz LZRYIEKELNUITD-QJPTWQEYSA-N 1 0 347.412 -2.317 20 0 EAADRO COC(=O)CNC(=O)CNC(=O)c1cncc(N2CC[NH+](C)CC2)c1 ZINC001193951050 790911906 /nfs/dbraw/zinc/91/19/06/790911906.db2.gz ALQRMRGRXXCNCT-UHFFFAOYSA-N 1 0 349.391 -1.148 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O)[NH+](C)C ZINC001193953370 790907175 /nfs/dbraw/zinc/90/71/75/790907175.db2.gz KJNKPQOYPNFMHW-WZRBSPASSA-N 1 0 325.417 -1.542 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O)[NH+](C)C ZINC001193953383 790908952 /nfs/dbraw/zinc/90/89/52/790908952.db2.gz KSQYROBRHKMMFB-WZRBSPASSA-N 1 0 340.428 -1.644 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O)[NH+](C)C ZINC001193953781 790908469 /nfs/dbraw/zinc/90/84/69/790908469.db2.gz OFNKXNTURSYBOY-WZRBSPASSA-N 1 0 325.417 -1.542 20 0 EAADRO C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H](N)[C@H]4NCN[C@H]43)c2)CC1 ZINC001193954026 790907088 /nfs/dbraw/zinc/90/70/88/790907088.db2.gz FMMNFRUZOKGMAN-ILXRZTDVSA-N 1 0 346.439 -2.034 20 0 EAADRO C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)c2)CC1 ZINC001193954028 790906957 /nfs/dbraw/zinc/90/69/57/790906957.db2.gz FMMNFRUZOKGMAN-KKUMJFAQSA-N 1 0 346.439 -2.034 20 0 EAADRO C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)c2)CC1 ZINC001193954030 790909065 /nfs/dbraw/zinc/90/90/65/790909065.db2.gz FMMNFRUZOKGMAN-QLFBSQMISA-N 1 0 346.439 -2.034 20 0 EAADRO C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)c2)CC1 ZINC001193954031 790907739 /nfs/dbraw/zinc/90/77/39/790907739.db2.gz FMMNFRUZOKGMAN-SOUVJXGZSA-N 1 0 346.439 -2.034 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001193954050 790907401 /nfs/dbraw/zinc/90/74/01/790907401.db2.gz PHLGKIPXGZILEC-IJLUTSLNSA-N 1 0 339.396 -2.083 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001193954052 790907820 /nfs/dbraw/zinc/90/78/20/790907820.db2.gz PHLGKIPXGZILEC-QJPTWQEYSA-N 1 0 339.396 -2.083 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001193954069 790907882 /nfs/dbraw/zinc/90/78/82/790907882.db2.gz PZEVICUJZBHJFY-NFAWXSAZSA-N 1 0 326.441 -1.034 20 0 EAADRO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193954238 790907592 /nfs/dbraw/zinc/90/75/92/790907592.db2.gz UFVSCQGAAFQRMF-VXGBXAGGSA-N 1 0 326.353 -1.380 20 0 EAADRO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193954530 790908050 /nfs/dbraw/zinc/90/80/50/790908050.db2.gz VRGWWAORHSBPMF-JHJVBQTASA-N 1 0 345.440 -1.307 20 0 EAADRO CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193954533 790908747 /nfs/dbraw/zinc/90/87/47/790908747.db2.gz VRGWWAORHSBPMF-YNEHKIRRSA-N 1 0 345.440 -1.307 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001193954781 790908441 /nfs/dbraw/zinc/90/84/41/790908441.db2.gz ZOVBGJRNOIHXNO-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960868 790908938 /nfs/dbraw/zinc/90/89/38/790908938.db2.gz GEOCJJKOXWIGSN-WZRBSPASSA-N 1 0 343.428 -1.811 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O)[NH+](C)C ZINC001193960916 790907685 /nfs/dbraw/zinc/90/76/85/790907685.db2.gz INHSXWOPCVJMRB-FOGDFJRCSA-N 1 0 329.401 -2.071 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001193961470 790907428 /nfs/dbraw/zinc/90/74/28/790907428.db2.gz QLCOHKHGDNYUDO-MCIONIFRSA-N 1 0 341.456 -1.241 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001193969984 790911095 /nfs/dbraw/zinc/91/10/95/790911095.db2.gz FBBCWJKZSZXDDJ-MVWJERBFSA-N 1 0 348.350 -1.070 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001193969986 790911150 /nfs/dbraw/zinc/91/11/50/790911150.db2.gz FBBCWJKZSZXDDJ-YUSALJHKSA-N 1 0 348.350 -1.070 20 0 EAADRO CCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001193978617 790909828 /nfs/dbraw/zinc/90/98/28/790909828.db2.gz UEPBLRJQBFTTKO-LERXQTSPSA-N 1 0 326.397 -1.235 20 0 EAADRO CCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001193978618 790910312 /nfs/dbraw/zinc/91/03/12/790910312.db2.gz UEPBLRJQBFTTKO-ZLKJLUDKSA-N 1 0 326.397 -1.235 20 0 EAADRO COC1CC(C(=O)N[C@@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]2O)C1 ZINC001193978686 790910446 /nfs/dbraw/zinc/91/04/46/790910446.db2.gz XESFTQNKTSSHJI-NEXFUWMNSA-N 1 0 343.424 -1.275 20 0 EAADRO CN1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1=O ZINC001193986417 790910489 /nfs/dbraw/zinc/91/04/89/790910489.db2.gz BPOAVFCVFKUDCK-JHJVBQTASA-N 1 0 329.397 -1.975 20 0 EAADRO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1=O ZINC001193986418 790910350 /nfs/dbraw/zinc/91/03/50/790910350.db2.gz BPOAVFCVFKUDCK-YNEHKIRRSA-N 1 0 329.397 -1.975 20 0 EAADRO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001193987873 790911209 /nfs/dbraw/zinc/91/12/09/790911209.db2.gz MWAKCMNTNPKRRH-BFHYXJOUSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001193987875 790910414 /nfs/dbraw/zinc/91/04/14/790910414.db2.gz MWAKCMNTNPKRRH-MGPQQGTHSA-N 1 0 343.424 -1.321 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)c(=O)[nH]c1=O ZINC001193992227 790917174 /nfs/dbraw/zinc/91/71/74/790917174.db2.gz LQWVRXWEAQAPBB-LLVKDONJSA-N 1 0 340.380 -1.359 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)c(=O)[nH]c1=O ZINC001193992228 790917453 /nfs/dbraw/zinc/91/74/53/790917453.db2.gz LQWVRXWEAQAPBB-NSHDSACASA-N 1 0 340.380 -1.359 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992925 790917115 /nfs/dbraw/zinc/91/71/15/790917115.db2.gz VNAKKGNDHLCHLQ-NXEZZACHSA-N 1 0 337.380 -1.233 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992926 790918105 /nfs/dbraw/zinc/91/81/05/790918105.db2.gz VNAKKGNDHLCHLQ-UWVGGRQHSA-N 1 0 337.380 -1.233 20 0 EAADRO CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992927 790917921 /nfs/dbraw/zinc/91/79/21/790917921.db2.gz VNAKKGNDHLCHLQ-VHSXEESVSA-N 1 0 337.380 -1.233 20 0 EAADRO CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992928 790917880 /nfs/dbraw/zinc/91/78/80/790917880.db2.gz VNAKKGNDHLCHLQ-ZJUUUORDSA-N 1 0 337.380 -1.233 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193993189 790917427 /nfs/dbraw/zinc/91/74/27/790917427.db2.gz ZUWVLPGOTHDVDC-GHMZBOCLSA-N 1 0 340.380 -1.361 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193993190 790917481 /nfs/dbraw/zinc/91/74/81/790917481.db2.gz ZUWVLPGOTHDVDC-MNOVXSKESA-N 1 0 340.380 -1.361 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193993191 790918179 /nfs/dbraw/zinc/91/81/79/790918179.db2.gz ZUWVLPGOTHDVDC-QWRGUYRKSA-N 1 0 340.380 -1.361 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193993192 790917543 /nfs/dbraw/zinc/91/75/43/790917543.db2.gz ZUWVLPGOTHDVDC-WDEREUQCSA-N 1 0 340.380 -1.361 20 0 EAADRO COCCn1nccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001193997400 790918249 /nfs/dbraw/zinc/91/82/49/790918249.db2.gz MBACKRXTQPFKQV-OUCADQQQSA-N 1 0 342.396 -1.688 20 0 EAADRO COCCn1nccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001193997404 790917467 /nfs/dbraw/zinc/91/74/67/790917467.db2.gz MBACKRXTQPFKQV-YRGRVCCFSA-N 1 0 342.396 -1.688 20 0 EAADRO CNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002526 790912475 /nfs/dbraw/zinc/91/24/75/790912475.db2.gz TYKJCCGOVSQDMX-NEPJUHHUSA-N 1 0 325.413 -1.074 20 0 EAADRO CNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002528 790913090 /nfs/dbraw/zinc/91/30/90/790913090.db2.gz TYKJCCGOVSQDMX-NWDGAFQWSA-N 1 0 325.413 -1.074 20 0 EAADRO CNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002530 790912110 /nfs/dbraw/zinc/91/21/10/790912110.db2.gz TYKJCCGOVSQDMX-RYUDHWBXSA-N 1 0 325.413 -1.074 20 0 EAADRO CNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002531 790913421 /nfs/dbraw/zinc/91/34/21/790913421.db2.gz TYKJCCGOVSQDMX-VXGBXAGGSA-N 1 0 325.413 -1.074 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 ZINC001194010777 790912740 /nfs/dbraw/zinc/91/27/40/790912740.db2.gz OZLVWSMHXOZWCW-JHJVBQTASA-N 1 0 342.396 -1.895 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 ZINC001194010785 790912417 /nfs/dbraw/zinc/91/24/17/790912417.db2.gz OZLVWSMHXOZWCW-YNEHKIRRSA-N 1 0 342.396 -1.895 20 0 EAADRO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194016262 790915779 /nfs/dbraw/zinc/91/57/79/790915779.db2.gz QMQHCQZCDBQRMQ-VXGBXAGGSA-N 1 0 326.353 -1.380 20 0 EAADRO CCOc1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2O)[nH]n1 ZINC001194016287 790914966 /nfs/dbraw/zinc/91/49/66/790914966.db2.gz RHMHQYXZEODSTN-MVWJERBFSA-N 1 0 328.369 -1.409 20 0 EAADRO CCOc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2O)[nH]n1 ZINC001194016517 790915363 /nfs/dbraw/zinc/91/53/63/790915363.db2.gz RHMHQYXZEODSTN-YUSALJHKSA-N 1 0 328.369 -1.409 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001194023159 790915531 /nfs/dbraw/zinc/91/55/31/790915531.db2.gz BCTZAGLHYZGMQG-IJLUTSLNSA-N 1 0 340.380 -1.831 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001194023161 790915455 /nfs/dbraw/zinc/91/54/55/790915455.db2.gz BCTZAGLHYZGMQG-QJPTWQEYSA-N 1 0 340.380 -1.831 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001194024205 790915394 /nfs/dbraw/zinc/91/53/94/790915394.db2.gz YOZPSQXIJLKVBM-JHJVBQTASA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001194024209 790915862 /nfs/dbraw/zinc/91/58/62/790915862.db2.gz YOZPSQXIJLKVBM-YNEHKIRRSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001194030485 790915672 /nfs/dbraw/zinc/91/56/72/790915672.db2.gz COTDEMQSVYFXCA-OASPWFOLSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001194030486 790915329 /nfs/dbraw/zinc/91/53/29/790915329.db2.gz COTDEMQSVYFXCA-ZWKOPEQDSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194039040 790917023 /nfs/dbraw/zinc/91/70/23/790917023.db2.gz LUXJRWTXGVSFHJ-BFHYXJOUSA-N 1 0 342.396 -1.895 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194039042 790917437 /nfs/dbraw/zinc/91/74/37/790917437.db2.gz LUXJRWTXGVSFHJ-MGPQQGTHSA-N 1 0 342.396 -1.895 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 ZINC001194045961 790917297 /nfs/dbraw/zinc/91/72/97/790917297.db2.gz LDXALNANIDZYDA-BFHYXJOUSA-N 1 0 339.392 -1.199 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 ZINC001194046027 790917701 /nfs/dbraw/zinc/91/77/01/790917701.db2.gz LDXALNANIDZYDA-MGPQQGTHSA-N 1 0 339.392 -1.199 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1 ZINC001194046328 790916766 /nfs/dbraw/zinc/91/67/66/790916766.db2.gz WMEOPUSKFDYMBO-IACUBPJLSA-N 1 0 343.380 -1.332 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1 ZINC001194046330 790917054 /nfs/dbraw/zinc/91/70/54/790917054.db2.gz WMEOPUSKFDYMBO-MRVWCRGKSA-N 1 0 343.380 -1.332 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1 ZINC001194054934 790919099 /nfs/dbraw/zinc/91/90/99/790919099.db2.gz VHDLQNZQWLRTFM-BFHYXJOUSA-N 1 0 343.380 -1.332 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1 ZINC001194054935 790920507 /nfs/dbraw/zinc/92/05/07/790920507.db2.gz VHDLQNZQWLRTFM-MGPQQGTHSA-N 1 0 343.380 -1.332 20 0 EAADRO C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194059843 790919882 /nfs/dbraw/zinc/91/98/82/790919882.db2.gz FWWVTHZBHBBEQZ-NEPJUHHUSA-N 1 0 335.426 -1.780 20 0 EAADRO C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194059844 790920462 /nfs/dbraw/zinc/92/04/62/790920462.db2.gz FWWVTHZBHBBEQZ-NWDGAFQWSA-N 1 0 335.426 -1.780 20 0 EAADRO C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194059846 790919742 /nfs/dbraw/zinc/91/97/42/790919742.db2.gz FWWVTHZBHBBEQZ-RYUDHWBXSA-N 1 0 335.426 -1.780 20 0 EAADRO C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194059847 790920582 /nfs/dbraw/zinc/92/05/82/790920582.db2.gz FWWVTHZBHBBEQZ-VXGBXAGGSA-N 1 0 335.426 -1.780 20 0 EAADRO COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194061737 790919654 /nfs/dbraw/zinc/91/96/54/790919654.db2.gz WWHFTDWXHVUNAI-CHWSQXEVSA-N 1 0 349.453 -1.126 20 0 EAADRO COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194061742 790919012 /nfs/dbraw/zinc/91/90/12/790919012.db2.gz WWHFTDWXHVUNAI-OLZOCXBDSA-N 1 0 349.453 -1.126 20 0 EAADRO COCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194061743 790920068 /nfs/dbraw/zinc/92/00/68/790920068.db2.gz WWHFTDWXHVUNAI-QWHCGFSZSA-N 1 0 349.453 -1.126 20 0 EAADRO COCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194061744 790920380 /nfs/dbraw/zinc/92/03/80/790920380.db2.gz WWHFTDWXHVUNAI-STQMWFEESA-N 1 0 349.453 -1.126 20 0 EAADRO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194075197 790920429 /nfs/dbraw/zinc/92/04/29/790920429.db2.gz KDKNTOMCQFDHIU-CHWSQXEVSA-N 1 0 342.440 -1.748 20 0 EAADRO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001194077035 790919859 /nfs/dbraw/zinc/91/98/59/790919859.db2.gz WGBHGPZZGMDBGS-CHWSQXEVSA-N 1 0 325.365 -1.153 20 0 EAADRO CCOCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085584 790921904 /nfs/dbraw/zinc/92/19/04/790921904.db2.gz DLDOHVUDNCUWOA-MGPQQGTHSA-N 1 0 344.456 -1.359 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1O)[NH+](C)C ZINC001194085673 790922020 /nfs/dbraw/zinc/92/20/20/790922020.db2.gz HYYHWOUIMVQAIE-GMTAPVOTSA-N 1 0 329.401 -2.057 20 0 EAADRO CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085839 790922282 /nfs/dbraw/zinc/92/22/82/790922282.db2.gz JDHVDIJUPWISCZ-IJLUTSLNSA-N 1 0 343.428 -1.666 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1O)[NH+](C)C ZINC001194086670 790922036 /nfs/dbraw/zinc/92/20/36/790922036.db2.gz USVUOBHNXUSODK-MGPQQGTHSA-N 1 0 344.456 -1.359 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1O)[NH+](C)C ZINC001194086686 790922519 /nfs/dbraw/zinc/92/25/19/790922519.db2.gz VBEANKZFWXJMNM-MGPQQGTHSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O)[NH+](C)C ZINC001194086835 790922154 /nfs/dbraw/zinc/92/21/54/790922154.db2.gz XBKVTYOAKAANRE-GMTAPVOTSA-N 1 0 326.401 -1.890 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001194089216 790921108 /nfs/dbraw/zinc/92/11/08/790921108.db2.gz AUZORVJBCPQNQG-GHMZBOCLSA-N 1 0 332.426 -1.701 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001194089218 790922707 /nfs/dbraw/zinc/92/27/07/790922707.db2.gz AUZORVJBCPQNQG-MNOVXSKESA-N 1 0 332.426 -1.701 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001194089219 790922293 /nfs/dbraw/zinc/92/22/93/790922293.db2.gz AUZORVJBCPQNQG-QWRGUYRKSA-N 1 0 332.426 -1.701 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001194089221 790922497 /nfs/dbraw/zinc/92/24/97/790922497.db2.gz AUZORVJBCPQNQG-WDEREUQCSA-N 1 0 332.426 -1.701 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCOC)C1 ZINC001194089276 790921776 /nfs/dbraw/zinc/92/17/76/790921776.db2.gz CMGYALVXYLTSJM-GFCCVEGCSA-N 1 0 337.442 -1.269 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CCOCCOC)C1 ZINC001194089280 790922627 /nfs/dbraw/zinc/92/26/27/790922627.db2.gz CMGYALVXYLTSJM-LBPRGKRZSA-N 1 0 337.442 -1.269 20 0 EAADRO CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001194089365 790921681 /nfs/dbraw/zinc/92/16/81/790921681.db2.gz FSAYLCJBVFDTHA-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001194089366 790924754 /nfs/dbraw/zinc/92/47/54/790924754.db2.gz FSAYLCJBVFDTHA-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001194089379 790924206 /nfs/dbraw/zinc/92/42/06/790924206.db2.gz FSAYLCJBVFDTHA-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001194089381 790924345 /nfs/dbraw/zinc/92/43/45/790924345.db2.gz FSAYLCJBVFDTHA-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001194089504 790924414 /nfs/dbraw/zinc/92/44/14/790924414.db2.gz ISASKHJVNSPLPT-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001194089505 790924381 /nfs/dbraw/zinc/92/43/81/790924381.db2.gz ISASKHJVNSPLPT-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001194089506 790924990 /nfs/dbraw/zinc/92/49/90/790924990.db2.gz ISASKHJVNSPLPT-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001194089507 790923647 /nfs/dbraw/zinc/92/36/47/790923647.db2.gz ISASKHJVNSPLPT-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001194089508 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EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCNC(=O)C2CC2)C1 ZINC001194089814 790924559 /nfs/dbraw/zinc/92/45/59/790924559.db2.gz OVLLXDAJYDHXEU-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CCNC(=O)C2CC2)C1 ZINC001194089815 790925096 /nfs/dbraw/zinc/92/50/96/790925096.db2.gz OVLLXDAJYDHXEU-LBPRGKRZSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001194089896 790924781 /nfs/dbraw/zinc/92/47/81/790924781.db2.gz SNVCGGPBKGPAGH-NXEZZACHSA-N 1 0 346.409 -2.127 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001194089897 790923729 /nfs/dbraw/zinc/92/37/29/790923729.db2.gz SNVCGGPBKGPAGH-UWVGGRQHSA-N 1 0 346.409 -2.127 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001194089898 790923758 /nfs/dbraw/zinc/92/37/58/790923758.db2.gz SNVCGGPBKGPAGH-VHSXEESVSA-N 1 0 346.409 -2.127 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001194089899 790925392 /nfs/dbraw/zinc/92/53/92/790925392.db2.gz SNVCGGPBKGPAGH-ZJUUUORDSA-N 1 0 346.409 -2.127 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001194090134 790924322 /nfs/dbraw/zinc/92/43/22/790924322.db2.gz UVWKOOOWSINTFB-GHMZBOCLSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001194090135 790924047 /nfs/dbraw/zinc/92/40/47/790924047.db2.gz UVWKOOOWSINTFB-MNOVXSKESA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001194090136 790923419 /nfs/dbraw/zinc/92/34/19/790923419.db2.gz UVWKOOOWSINTFB-QWRGUYRKSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001194090137 790924839 /nfs/dbraw/zinc/92/48/39/790924839.db2.gz UVWKOOOWSINTFB-WDEREUQCSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)C)C1 ZINC001194090144 790925119 /nfs/dbraw/zinc/92/51/19/790925119.db2.gz UYOIWHBWPXXAHC-GHMZBOCLSA-N 1 0 334.442 -1.455 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)C)C1 ZINC001194090145 790925259 /nfs/dbraw/zinc/92/52/59/790925259.db2.gz UYOIWHBWPXXAHC-MNOVXSKESA-N 1 0 334.442 -1.455 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001194090146 790923712 /nfs/dbraw/zinc/92/37/12/790923712.db2.gz UYOIWHBWPXXAHC-QWRGUYRKSA-N 1 0 334.442 -1.455 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001194090147 790925201 /nfs/dbraw/zinc/92/52/01/790925201.db2.gz UYOIWHBWPXXAHC-WDEREUQCSA-N 1 0 334.442 -1.455 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001194090324 790924966 /nfs/dbraw/zinc/92/49/66/790924966.db2.gz YOFQJKXOQMYARR-LLVKDONJSA-N 1 0 347.441 -1.907 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001194090325 790926142 /nfs/dbraw/zinc/92/61/42/790926142.db2.gz YOFQJKXOQMYARR-NSHDSACASA-N 1 0 347.441 -1.907 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095656 790926839 /nfs/dbraw/zinc/92/68/39/790926839.db2.gz KKYHENOWDDLSKZ-JHJVBQTASA-N 1 0 327.429 -1.487 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001194095907 790925906 /nfs/dbraw/zinc/92/59/06/790925906.db2.gz VKNBGRREFLXCME-JHJVBQTASA-N 1 0 335.470 -1.077 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095910 790926495 /nfs/dbraw/zinc/92/64/95/790926495.db2.gz VRZRHBUZLWXNGI-IJLUTSLNSA-N 1 0 341.412 -1.960 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001194095986 790926022 /nfs/dbraw/zinc/92/60/22/790926022.db2.gz YIIURGYZULDCEU-IJLUTSLNSA-N 1 0 336.458 -1.963 20 0 EAADRO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102307 790927168 /nfs/dbraw/zinc/92/71/68/790927168.db2.gz HBPJPTMRWVBONG-JHJVBQTASA-N 1 0 342.440 -1.620 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 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GZQBOACMOJXAFM-LPWJVIDDSA-N 1 0 329.397 -1.657 20 0 EAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001194847739 790977010 /nfs/dbraw/zinc/97/70/10/790977010.db2.gz NOMYFEXSGYRFRG-LPWJVIDDSA-N 1 0 329.397 -1.393 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001194847976 790977281 /nfs/dbraw/zinc/97/72/81/790977281.db2.gz USLSSFJQRQLIMJ-SYQHCUMBSA-N 1 0 343.424 -1.003 20 0 EAADRO CCc1cc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n(C)n1 ZINC001194865489 790974812 /nfs/dbraw/zinc/97/48/12/790974812.db2.gz HGCYNLPHKIIJPS-HUUCEWRRSA-N 1 0 340.424 -1.305 20 0 EAADRO CCc1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2O)n(C)n1 ZINC001194865522 790974871 /nfs/dbraw/zinc/97/48/71/790974871.db2.gz ISPKONGZSCJODP-RBSFLKMASA-N 1 0 340.424 -1.306 20 0 EAADRO CCc1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2O)n(C)n1 ZINC001194865525 790974741 /nfs/dbraw/zinc/97/47/41/790974741.db2.gz ISPKONGZSCJODP-RRFJBIMHSA-N 1 0 340.424 -1.306 20 0 EAADRO CCn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2O)nn1 ZINC001194881283 790976993 /nfs/dbraw/zinc/97/69/93/790976993.db2.gz ODZLZPKPVDLAKA-JHJVBQTASA-N 1 0 327.385 -1.991 20 0 EAADRO CCn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2O)nn1 ZINC001194881284 790977019 /nfs/dbraw/zinc/97/70/19/790977019.db2.gz ODZLZPKPVDLAKA-YNEHKIRRSA-N 1 0 327.385 -1.991 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001194882756 790976744 /nfs/dbraw/zinc/97/67/44/790976744.db2.gz GNPOFGHPTLJMOV-CABCVRRESA-N 1 0 346.424 -1.040 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001194882757 790977663 /nfs/dbraw/zinc/97/76/63/790977663.db2.gz GNPOFGHPTLJMOV-GJZGRUSLSA-N 1 0 346.424 -1.040 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC001194882758 790976313 /nfs/dbraw/zinc/97/63/13/790976313.db2.gz GNPOFGHPTLJMOV-HUUCEWRRSA-N 1 0 346.424 -1.040 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC001194882759 790976229 /nfs/dbraw/zinc/97/62/29/790976229.db2.gz GNPOFGHPTLJMOV-LSDHHAIUSA-N 1 0 346.424 -1.040 20 0 EAADRO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001194892429 790982343 /nfs/dbraw/zinc/98/23/43/790982343.db2.gz DBEHDBOVLMOFBK-YNEHKIRRSA-N 1 0 337.380 -1.437 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001194893422 790982366 /nfs/dbraw/zinc/98/23/66/790982366.db2.gz TZWGGPGJOKDXHC-YNEHKIRRSA-N 1 0 337.380 -1.437 20 0 EAADRO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001194908832 790979855 /nfs/dbraw/zinc/97/98/55/790979855.db2.gz ITMAKIPWHVYMIV-ZIAGYGMSSA-N 1 0 347.379 -1.131 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1 ZINC001194909615 790979647 /nfs/dbraw/zinc/97/96/47/790979647.db2.gz SGNHDVYDEFEREI-JHJVBQTASA-N 1 0 326.397 -1.479 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1 ZINC001194909620 790978411 /nfs/dbraw/zinc/97/84/11/790978411.db2.gz SGNHDVYDEFEREI-YNEHKIRRSA-N 1 0 326.397 -1.479 20 0 EAADRO Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194910123 790978988 /nfs/dbraw/zinc/97/89/88/790978988.db2.gz YIJHUVQZZRRAAQ-CHWSQXEVSA-N 1 0 326.397 -1.477 20 0 EAADRO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)c1=O ZINC001194942917 790982454 /nfs/dbraw/zinc/98/24/54/790982454.db2.gz SGWGRGIYKGWMEE-CHWSQXEVSA-N 1 0 349.395 -1.970 20 0 EAADRO CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951448 790980678 /nfs/dbraw/zinc/98/06/78/790980678.db2.gz CBSWMNVIWXIHBU-CHWSQXEVSA-N 1 0 341.412 -1.440 20 0 EAADRO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951568 790981441 /nfs/dbraw/zinc/98/14/41/790981441.db2.gz FWPOXLZJYQAMAA-IJLUTSLNSA-N 1 0 327.385 -1.832 20 0 EAADRO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951569 790982080 /nfs/dbraw/zinc/98/20/80/790982080.db2.gz FWPOXLZJYQAMAA-QJPTWQEYSA-N 1 0 327.385 -1.832 20 0 EAADRO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951765 790981086 /nfs/dbraw/zinc/98/10/86/790981086.db2.gz GZSOLPXUQIFSLW-CHWSQXEVSA-N 1 0 341.412 -1.442 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951788 790980776 /nfs/dbraw/zinc/98/07/76/790980776.db2.gz HLKSTKZEWNDEOO-IJLUTSLNSA-N 1 0 343.384 -2.860 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951795 790981539 /nfs/dbraw/zinc/98/15/39/790981539.db2.gz HLKSTKZEWNDEOO-QJPTWQEYSA-N 1 0 343.384 -2.860 20 0 EAADRO C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951823 790981049 /nfs/dbraw/zinc/98/10/49/790981049.db2.gz IGIMFHOPMONLEY-JHJVBQTASA-N 1 0 341.412 -1.706 20 0 EAADRO C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951824 790981907 /nfs/dbraw/zinc/98/19/07/790981907.db2.gz IGIMFHOPMONLEY-YNEHKIRRSA-N 1 0 341.412 -1.706 20 0 EAADRO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c1=O ZINC001194951833 790981014 /nfs/dbraw/zinc/98/10/14/790981014.db2.gz IYVQGOJGWZMFGT-VXGBXAGGSA-N 1 0 343.384 -2.858 20 0 EAADRO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)c1=O ZINC001194951901 790981154 /nfs/dbraw/zinc/98/11/54/790981154.db2.gz KQEWQHVVFDBHTR-JHJVBQTASA-N 1 0 339.396 -1.830 20 0 EAADRO Cn1cnn(CCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)c1=O ZINC001194952175 790982047 /nfs/dbraw/zinc/98/20/47/790982047.db2.gz KQEWQHVVFDBHTR-YNEHKIRRSA-N 1 0 339.396 -1.830 20 0 EAADRO COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952315 790981099 /nfs/dbraw/zinc/98/10/99/790981099.db2.gz OZSMBEOYSSSIMA-CHWSQXEVSA-N 1 0 341.412 -1.440 20 0 EAADRO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952892 790982250 /nfs/dbraw/zinc/98/22/50/790982250.db2.gz USULPVSJVDQNOX-VXGBXAGGSA-N 1 0 327.385 -1.830 20 0 EAADRO C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952899 790980940 /nfs/dbraw/zinc/98/09/40/790980940.db2.gz VGWOWRVTWSPDJJ-IJLUTSLNSA-N 1 0 329.376 -1.119 20 0 EAADRO C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952900 790980971 /nfs/dbraw/zinc/98/09/71/790980971.db2.gz VGWOWRVTWSPDJJ-QJPTWQEYSA-N 1 0 329.376 -1.119 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952907 790982506 /nfs/dbraw/zinc/98/25/06/790982506.db2.gz VPTWCZSQMMNIKJ-VXGBXAGGSA-N 1 0 327.385 -1.830 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1)OC ZINC001194952973 790982226 /nfs/dbraw/zinc/98/22/26/790982226.db2.gz XFOQQQFHIBVPFQ-JHJVBQTASA-N 1 0 341.412 -1.442 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1)OC ZINC001194952975 790981499 /nfs/dbraw/zinc/98/14/99/790981499.db2.gz XFOQQQFHIBVPFQ-YNEHKIRRSA-N 1 0 341.412 -1.442 20 0 EAADRO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194953053 790981410 /nfs/dbraw/zinc/98/14/10/790981410.db2.gz YYQAOZFUIRFSBO-IJLUTSLNSA-N 1 0 327.385 -1.832 20 0 EAADRO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194953054 790981702 /nfs/dbraw/zinc/98/17/02/790981702.db2.gz YYQAOZFUIRFSBO-QJPTWQEYSA-N 1 0 327.385 -1.832 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccnc(C)n2)C1 ZINC001194960746 790981171 /nfs/dbraw/zinc/98/11/71/790981171.db2.gz DAUDMUOKXJSGTO-RBSFLKMASA-N 1 0 338.408 -1.114 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccnc(C)n2)C1 ZINC001194960747 790982406 /nfs/dbraw/zinc/98/24/06/790982406.db2.gz DAUDMUOKXJSGTO-RRFJBIMHSA-N 1 0 338.408 -1.114 20 0 EAADRO Cc1nccc(CCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001194961197 790982301 /nfs/dbraw/zinc/98/23/01/790982301.db2.gz IICHXMRSUQIKDS-HUUCEWRRSA-N 1 0 338.408 -1.112 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCc2c[nH]nn2)C1 ZINC001194975899 790984658 /nfs/dbraw/zinc/98/46/58/790984658.db2.gz MZOPCKQRERTFTN-BFHYXJOUSA-N 1 0 341.412 -1.314 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCc2c[nH]nn2)C1 ZINC001194975900 790983290 /nfs/dbraw/zinc/98/32/90/790983290.db2.gz MZOPCKQRERTFTN-MGPQQGTHSA-N 1 0 341.412 -1.314 20 0 EAADRO O=C(CCCCc1c[nH]nn1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194976152 790984909 /nfs/dbraw/zinc/98/49/09/790984909.db2.gz SCDDQYBVSZNTFP-ZIAGYGMSSA-N 1 0 341.412 -1.312 20 0 EAADRO O=C(COCC(F)F)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001194976154 790983654 /nfs/dbraw/zinc/98/36/54/790983654.db2.gz SDUYZAVJYUZDHB-IJLUTSLNSA-N 1 0 348.350 -1.313 20 0 EAADRO O=C(COCC(F)F)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001194976155 790983817 /nfs/dbraw/zinc/98/38/17/790983817.db2.gz SDUYZAVJYUZDHB-QJPTWQEYSA-N 1 0 348.350 -1.313 20 0 EAADRO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1O)S(N)(=O)=O ZINC001194976207 790983545 /nfs/dbraw/zinc/98/35/45/790983545.db2.gz VHWLBIYSRLEWQF-IJLUTSLNSA-N 1 0 337.442 -1.359 20 0 EAADRO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1O)S(N)(=O)=O ZINC001194976208 790985064 /nfs/dbraw/zinc/98/50/64/790985064.db2.gz 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327.385 -2.084 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196234070 791076835 /nfs/dbraw/zinc/07/68/35/791076835.db2.gz ACBWMINVUUMYJO-YNEHKIRRSA-N 1 0 327.385 -2.084 20 0 EAADRO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196235237 791085856 /nfs/dbraw/zinc/08/58/56/791085856.db2.gz SVXXWUHKGIJJGG-ZIAGYGMSSA-N 1 0 341.412 -1.428 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001196251296 791075380 /nfs/dbraw/zinc/07/53/80/791075380.db2.gz HFUJECKKCKMSLY-MVWJERBFSA-N 1 0 341.364 -1.422 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001196251297 791076885 /nfs/dbraw/zinc/07/68/85/791076885.db2.gz HFUJECKKCKMSLY-YUSALJHKSA-N 1 0 341.364 -1.422 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001196251342 791075766 /nfs/dbraw/zinc/07/57/66/791075766.db2.gz JDGBFJGOMMJBDO-FRRDWIJNSA-N 1 0 340.424 -1.363 20 0 EAADRO 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C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O ZINC001197825970 791180769 /nfs/dbraw/zinc/18/07/69/791180769.db2.gz JOBQKIKMYHIRGN-CHWSQXEVSA-N 1 0 343.428 -2.249 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825985 791182093 /nfs/dbraw/zinc/18/20/93/791182093.db2.gz KJWDMLPZSJTBEB-GMTAPVOTSA-N 1 0 345.400 -2.691 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825986 791181305 /nfs/dbraw/zinc/18/13/05/791181305.db2.gz KJWDMLPZSJTBEB-HBNTYKKESA-N 1 0 345.400 -2.691 20 0 EAADRO C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826009 791180747 /nfs/dbraw/zinc/18/07/47/791180747.db2.gz LYTBVCJHRIJMSS-JHJVBQTASA-N 1 0 330.429 -1.797 20 0 EAADRO C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826010 791181570 /nfs/dbraw/zinc/18/15/70/791181570.db2.gz LYTBVCJHRIJMSS-YNEHKIRRSA-N 1 0 330.429 -1.797 20 0 EAADRO Cc1nnc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001197826034 791181153 /nfs/dbraw/zinc/18/11/53/791181153.db2.gz NJIICHSLKCSKRG-CYZMBNFOSA-N 1 0 340.428 -1.086 20 0 EAADRO Cc1nnc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001197826035 791181006 /nfs/dbraw/zinc/18/10/06/791181006.db2.gz NJIICHSLKCSKRG-RAIGVLPGSA-N 1 0 340.428 -1.086 20 0 EAADRO CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)nn1 ZINC001197826043 791182084 /nfs/dbraw/zinc/18/20/84/791182084.db2.gz NSSMVSDBEYULGG-ZIAGYGMSSA-N 1 0 340.428 -1.463 20 0 EAADRO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)nn1 ZINC001197826168 791181281 /nfs/dbraw/zinc/18/12/81/791181281.db2.gz OWSAYRRJEXDFQJ-CHWSQXEVSA-N 1 0 326.401 -1.945 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197826169 791181053 /nfs/dbraw/zinc/18/10/53/791181053.db2.gz OWUXDIVLTOWWDU-GRYCIOLGSA-N 1 0 342.396 -2.469 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197826170 791181311 /nfs/dbraw/zinc/18/13/11/791181311.db2.gz OWUXDIVLTOWWDU-IJLUTSLNSA-N 1 0 342.396 -2.469 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001197826184 791180991 /nfs/dbraw/zinc/18/09/91/791180991.db2.gz PLUPBYADKKJLNC-FRRDWIJNSA-N 1 0 328.413 -1.996 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197826185 791181138 /nfs/dbraw/zinc/18/11/38/791181138.db2.gz PLUPBYADKKJLNC-JHJVBQTASA-N 1 0 328.413 -1.996 20 0 EAADRO COCCOCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826196 791180975 /nfs/dbraw/zinc/18/09/75/791180975.db2.gz QDKCJPMQQJOLOT-ZIAGYGMSSA-N 1 0 333.429 -1.611 20 0 EAADRO CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826224 791181969 /nfs/dbraw/zinc/18/19/69/791181969.db2.gz RFGVPKYFDVZCNC-FRRDWIJNSA-N 1 0 328.413 -2.043 20 0 EAADRO CN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826225 791181891 /nfs/dbraw/zinc/18/18/91/791181891.db2.gz RFGVPKYFDVZCNC-JHJVBQTASA-N 1 0 328.413 -2.043 20 0 EAADRO CCCC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826248 791181941 /nfs/dbraw/zinc/18/19/41/791181941.db2.gz SDSBOBMXLHVYRA-HZSPNIEDSA-N 1 0 344.456 -1.230 20 0 EAADRO CCCC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826249 791181656 /nfs/dbraw/zinc/18/16/56/791181656.db2.gz SDSBOBMXLHVYRA-MGPQQGTHSA-N 1 0 344.456 -1.230 20 0 EAADRO CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826254 791181919 /nfs/dbraw/zinc/18/19/19/791181919.db2.gz SLCTYMZPCJLZIH-HZSPNIEDSA-N 1 0 342.440 -1.653 20 0 EAADRO CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826255 791181474 /nfs/dbraw/zinc/18/14/74/791181474.db2.gz SLCTYMZPCJLZIH-MGPQQGTHSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826260 791181760 /nfs/dbraw/zinc/18/17/60/791181760.db2.gz SVEMMUKXIGILPN-IACUBPJLSA-N 1 0 342.440 -1.607 20 0 EAADRO C[C@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826261 791180909 /nfs/dbraw/zinc/18/09/09/791180909.db2.gz SVEMMUKXIGILPN-MRVWCRGKSA-N 1 0 342.440 -1.607 20 0 EAADRO CN1CCC[C@H](N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826362 791181289 /nfs/dbraw/zinc/18/12/89/791181289.db2.gz UDMBZCMIKPYMSU-HZSPNIEDSA-N 1 0 342.440 -1.653 20 0 EAADRO CN1CCC[C@@H](N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826364 791180562 /nfs/dbraw/zinc/18/05/62/791180562.db2.gz UDMBZCMIKPYMSU-MGPQQGTHSA-N 1 0 342.440 -1.653 20 0 EAADRO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001197826402 791180895 /nfs/dbraw/zinc/18/08/95/791180895.db2.gz VNTGLKNKRXSUKO-VXGBXAGGSA-N 1 0 326.401 -1.647 20 0 EAADRO C[C@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826451 791181107 /nfs/dbraw/zinc/18/11/07/791181107.db2.gz XVVCJROJNUTLHY-IJLUTSLNSA-N 1 0 341.416 -1.989 20 0 EAADRO C[C@@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826452 791181695 /nfs/dbraw/zinc/18/16/95/791181695.db2.gz XVVCJROJNUTLHY-QJPTWQEYSA-N 1 0 341.416 -1.989 20 0 EAADRO CCc1noc(CN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197826463 791181338 /nfs/dbraw/zinc/18/13/38/791181338.db2.gz YIFNLKZRVUISTN-VXGBXAGGSA-N 1 0 341.412 -1.129 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O ZINC001197826481 791181777 /nfs/dbraw/zinc/18/17/77/791181777.db2.gz YZFRSLZWJIQGJQ-GHMZBOCLSA-N 1 0 329.426 -1.222 20 0 EAADRO CNC(=O)C1([NH2+]CCNS(=O)(=O)c2cnn(C)c2)CCOCC1 ZINC001197827999 791181227 /nfs/dbraw/zinc/18/12/27/791181227.db2.gz ZRKKKAUDYGNOPE-UHFFFAOYSA-N 1 0 345.425 -1.417 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832096 791180171 /nfs/dbraw/zinc/18/01/71/791180171.db2.gz IZQKLFBXNHVHTJ-GFCCVEGCSA-N 1 0 343.428 -1.318 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832097 791179800 /nfs/dbraw/zinc/17/98/00/791179800.db2.gz IZQKLFBXNHVHTJ-LBPRGKRZSA-N 1 0 343.428 -1.318 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC001197833589 791179104 /nfs/dbraw/zinc/17/91/04/791179104.db2.gz XOUBJMXNWUBHLO-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC001197833590 791179181 /nfs/dbraw/zinc/17/91/81/791179181.db2.gz XOUBJMXNWUBHLO-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001197834069 791179977 /nfs/dbraw/zinc/17/99/77/791179977.db2.gz ROAWEPIWVMDTNJ-UKRRQHHQSA-N 1 0 338.408 -1.069 20 0 EAADRO [NH3+]CCN(CCNC(=O)c1cnn(-c2ncccn2)c1)N(O)N=O ZINC001197838908 791178803 /nfs/dbraw/zinc/17/88/03/791178803.db2.gz XHIWNZYQFMJUSR-UHFFFAOYSA-N 1 0 335.328 -1.060 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001197840850 791179757 /nfs/dbraw/zinc/17/97/57/791179757.db2.gz AISAUDOQLBYCIH-CYZMBNFOSA-N 1 0 339.396 -1.675 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001197840854 791179826 /nfs/dbraw/zinc/17/98/26/791179826.db2.gz AISAUDOQLBYCIH-RAIGVLPGSA-N 1 0 339.396 -1.675 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001197852538 791181330 /nfs/dbraw/zinc/18/13/30/791181330.db2.gz ZJLRCMJEZFUTIQ-IACUBPJLSA-N 1 0 349.391 -1.180 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001197852539 791181742 /nfs/dbraw/zinc/18/17/42/791181742.db2.gz ZJLRCMJEZFUTIQ-MRVWCRGKSA-N 1 0 349.391 -1.180 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001197869793 791184991 /nfs/dbraw/zinc/18/49/91/791184991.db2.gz BRSRLYABELUYNY-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001197869795 791184664 /nfs/dbraw/zinc/18/46/64/791184664.db2.gz BRSRLYABELUYNY-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001197871707 791183073 /nfs/dbraw/zinc/18/30/73/791183073.db2.gz XNICZPJSDWHJID-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001197888560 791182826 /nfs/dbraw/zinc/18/28/26/791182826.db2.gz FFYRZMWEQOHSRA-JHJVBQTASA-N 1 0 331.413 -1.539 20 0 EAADRO CCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001197888562 791183215 /nfs/dbraw/zinc/18/32/15/791183215.db2.gz FFYRZMWEQOHSRA-YNEHKIRRSA-N 1 0 331.413 -1.539 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001197889057 791182637 /nfs/dbraw/zinc/18/26/37/791182637.db2.gz JVSPOYPVPJMDOG-CYZMBNFOSA-N 1 0 325.365 -1.833 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001197889062 791182782 /nfs/dbraw/zinc/18/27/82/791182782.db2.gz JVSPOYPVPJMDOG-RAIGVLPGSA-N 1 0 325.365 -1.833 20 0 EAADRO Cn1cccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c1=O ZINC001197889262 791182549 /nfs/dbraw/zinc/18/25/49/791182549.db2.gz LPXNQEMYDRRZAL-CHWSQXEVSA-N 1 0 325.365 -1.831 20 0 EAADRO CCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197889276 791182620 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791196297 /nfs/dbraw/zinc/19/62/97/791196297.db2.gz KUSCZQKBWUESLW-LSDHHAIUSA-N 1 0 343.424 -1.225 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001198167119 791196802 /nfs/dbraw/zinc/19/68/02/791196802.db2.gz VUUHADLZLPBOEH-HNNXBMFYSA-N 1 0 343.424 -1.223 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001198167120 791196443 /nfs/dbraw/zinc/19/64/43/791196443.db2.gz VUUHADLZLPBOEH-OAHLLOKOSA-N 1 0 343.424 -1.223 20 0 EAADRO C[C@]1(CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CCS(=O)(=O)N1 ZINC001198179377 791197377 /nfs/dbraw/zinc/19/73/77/791197377.db2.gz JZDDCKJQMFMTLO-NQBHXWOUSA-N 1 0 337.417 -1.021 20 0 EAADRO C[C@@]1(CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CCS(=O)(=O)N1 ZINC001198179402 791198252 /nfs/dbraw/zinc/19/82/52/791198252.db2.gz JZDDCKJQMFMTLO-WZRBSPASSA-N 1 0 337.417 -1.021 20 0 EAADRO C[C@]1(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CCS(=O)(=O)N1 ZINC001198179831 791198233 /nfs/dbraw/zinc/19/82/33/791198233.db2.gz PGRZDAJJIXJSIE-NQBHXWOUSA-N 1 0 335.426 -1.998 20 0 EAADRO C[C@@]1(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CCS(=O)(=O)N1 ZINC001198179832 791197867 /nfs/dbraw/zinc/19/78/67/791197867.db2.gz PGRZDAJJIXJSIE-WZRBSPASSA-N 1 0 335.426 -1.998 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001198180063 791197566 /nfs/dbraw/zinc/19/75/66/791197566.db2.gz UNRKANXULWVTGW-BZPMIXESSA-N 1 0 349.453 -1.344 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001198180067 791197688 /nfs/dbraw/zinc/19/76/88/791197688.db2.gz UNRKANXULWVTGW-YRGRVCCFSA-N 1 0 349.453 -1.344 20 0 EAADRO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001198180081 791197496 /nfs/dbraw/zinc/19/74/96/791197496.db2.gz VDEAJWCKUCINCN-BZPMIXESSA-N 1 0 349.453 -1.344 20 0 EAADRO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001198180082 791198379 /nfs/dbraw/zinc/19/83/79/791198379.db2.gz VDEAJWCKUCINCN-YRGRVCCFSA-N 1 0 349.453 -1.344 20 0 EAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001198180084 791197591 /nfs/dbraw/zinc/19/75/91/791197591.db2.gz VDQNBUIAKIWCJM-NQBHXWOUSA-N 1 0 335.426 -1.734 20 0 EAADRO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001198180087 791197666 /nfs/dbraw/zinc/19/76/66/791197666.db2.gz VDQNBUIAKIWCJM-WZRBSPASSA-N 1 0 335.426 -1.734 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001198180116 791197430 /nfs/dbraw/zinc/19/74/30/791197430.db2.gz VMLJHTUHLVTZMZ-IJLUTSLNSA-N 1 0 337.442 -1.752 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001198180117 791197295 /nfs/dbraw/zinc/19/72/95/791197295.db2.gz VMLJHTUHLVTZMZ-QJPTWQEYSA-N 1 0 337.442 -1.752 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001198180193 791197422 /nfs/dbraw/zinc/19/74/22/791197422.db2.gz YBKVFLIRDRZNMJ-VXGBXAGGSA-N 1 0 337.442 -1.486 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001198184963 791200597 /nfs/dbraw/zinc/20/05/97/791200597.db2.gz BUAZKPDLTUWERG-HFAKWTLXSA-N 1 0 339.396 -2.172 20 0 EAADRO O=C(COCc1cccnc1)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001198185314 791201657 /nfs/dbraw/zinc/20/16/57/791201657.db2.gz GMIDITXMGXGLRR-HUUCEWRRSA-N 1 0 339.392 -1.232 20 0 EAADRO CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)COCc3cccnc3)C2)C1=O ZINC001198185567 791201192 /nfs/dbraw/zinc/20/11/92/791201192.db2.gz HWMLGSOSONOKJN-QLFBSQMISA-N 1 0 348.403 -1.010 20 0 EAADRO CN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)COCc3cccnc3)C2)C1=O ZINC001198185568 791200456 /nfs/dbraw/zinc/20/04/56/791200456.db2.gz HWMLGSOSONOKJN-RBSFLKMASA-N 1 0 348.403 -1.010 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001198187253 791201587 /nfs/dbraw/zinc/20/15/87/791201587.db2.gz VWCOKRURLWGAGX-NJZAAPMLSA-N 1 0 349.391 -1.250 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001198187262 791200263 /nfs/dbraw/zinc/20/02/63/791200263.db2.gz VWCOKRURLWGAGX-UXIGCNINSA-N 1 0 349.391 -1.250 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198193881 791201670 /nfs/dbraw/zinc/20/16/70/791201670.db2.gz SREYBBOXTXESFP-ZIAGYGMSSA-N 1 0 331.413 -1.585 20 0 EAADRO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001198200244 791199801 /nfs/dbraw/zinc/19/98/01/791199801.db2.gz OHPZLPXBYIQAHT-RBSFLKMASA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001198200245 791199042 /nfs/dbraw/zinc/19/90/42/791199042.db2.gz OHPZLPXBYIQAHT-RRFJBIMHSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)cn1 ZINC001198200659 791199206 /nfs/dbraw/zinc/19/92/06/791199206.db2.gz YUSKSZQLJIYMPT-ZIAGYGMSSA-N 1 0 342.396 -1.687 20 0 EAADRO CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)COCc2cccnc2)C1 ZINC001198207564 791199757 /nfs/dbraw/zinc/19/97/57/791199757.db2.gz KCPIKKZFEXHAKE-IACUBPJLSA-N 1 0 336.392 -1.106 20 0 EAADRO CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)COCc2cccnc2)C1 ZINC001198207565 791198676 /nfs/dbraw/zinc/19/86/76/791198676.db2.gz KCPIKKZFEXHAKE-MRVWCRGKSA-N 1 0 336.392 -1.106 20 0 EAADRO O=C(COCc1cccnc1)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001198207722 791199126 /nfs/dbraw/zinc/19/91/26/791199126.db2.gz OHZZEYJBKGNXND-HUUCEWRRSA-N 1 0 348.403 -1.008 20 0 EAADRO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)COCc2cccnc2)C1 ZINC001198207869 791199522 /nfs/dbraw/zinc/19/95/22/791199522.db2.gz PDMDIERPRSPGPV-ZIAGYGMSSA-N 1 0 336.392 -1.152 20 0 EAADRO O=C(COCc1cccnc1)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001198208230 791199302 /nfs/dbraw/zinc/19/93/02/791199302.db2.gz XKJDRTDYUYSEQN-HZSPNIEDSA-N 1 0 334.376 -1.352 20 0 EAADRO O=C(COCc1cccnc1)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001198208232 791199232 /nfs/dbraw/zinc/19/92/32/791199232.db2.gz XKJDRTDYUYSEQN-MGPQQGTHSA-N 1 0 334.376 -1.352 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001198214236 791199659 /nfs/dbraw/zinc/19/96/59/791199659.db2.gz KFZCKDPJWPQGCM-HZSPNIEDSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001198214239 791198806 /nfs/dbraw/zinc/19/88/06/791198806.db2.gz KFZCKDPJWPQGCM-MGPQQGTHSA-N 1 0 340.424 -1.315 20 0 EAADRO CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCN(C)C(C)=O)C1 ZINC001198214268 791199722 /nfs/dbraw/zinc/19/97/22/791199722.db2.gz KZPFYDOMZMTLQP-CYZMBNFOSA-N 1 0 328.413 -1.459 20 0 EAADRO CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCN(C)C(C)=O)C1 ZINC001198214270 791199666 /nfs/dbraw/zinc/19/96/66/791199666.db2.gz KZPFYDOMZMTLQP-RAIGVLPGSA-N 1 0 328.413 -1.459 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O ZINC001198214303 791199634 /nfs/dbraw/zinc/19/96/34/791199634.db2.gz LFBMLILLAJFJJC-ZIAGYGMSSA-N 1 0 342.440 -1.069 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198214553 791199830 /nfs/dbraw/zinc/19/98/30/791199830.db2.gz PSNXKAQOFYSWOP-IACUBPJLSA-N 1 0 342.440 -1.117 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198214554 791199488 /nfs/dbraw/zinc/19/94/88/791199488.db2.gz PSNXKAQOFYSWOP-MRVWCRGKSA-N 1 0 342.440 -1.117 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001198214734 791198745 /nfs/dbraw/zinc/19/87/45/791198745.db2.gz RQCZHMRVAWYAEO-ZIAGYGMSSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001198214797 791199615 /nfs/dbraw/zinc/19/96/15/791199615.db2.gz UKDUYCKCHNGWKK-ZIAGYGMSSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N(C)CCCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001198214813 791198701 /nfs/dbraw/zinc/19/87/01/791198701.db2.gz UVVUALNGQKYRLB-CHWSQXEVSA-N 1 0 328.413 -1.506 20 0 EAADRO COC[C@@H](C)[N@@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236467 791202180 /nfs/dbraw/zinc/20/21/80/791202180.db2.gz LLIMKBWDZJUKPJ-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO COC[C@H](C)[N@@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236469 791202070 /nfs/dbraw/zinc/20/20/70/791202070.db2.gz LLIMKBWDZJUKPJ-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CO[C@H](C)C[N@@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236533 791202748 /nfs/dbraw/zinc/20/27/48/791202748.db2.gz NUORFYDRZKMNDI-CYBMUJFWSA-N 1 0 338.412 -1.037 20 0 EAADRO CO[C@@H](C)C[N@@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236534 791202508 /nfs/dbraw/zinc/20/25/08/791202508.db2.gz NUORFYDRZKMNDI-ZDUSSCGKSA-N 1 0 338.412 -1.037 20 0 EAADRO CCOCC[N@@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236649 791203357 /nfs/dbraw/zinc/20/33/57/791203357.db2.gz RFBSGIWWTJZFDS-UHFFFAOYSA-N 1 0 338.412 -1.035 20 0 EAADRO COCCC[N@@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236688 791202115 /nfs/dbraw/zinc/20/21/15/791202115.db2.gz UPEVHIZVPBHJSS-UHFFFAOYSA-N 1 0 338.412 -1.035 20 0 EAADRO COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198248321 791204639 /nfs/dbraw/zinc/20/46/39/791204639.db2.gz LNPJGNQEJJPXPA-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001198251105 791204553 /nfs/dbraw/zinc/20/45/53/791204553.db2.gz BYUWXEVDGZKDMN-LLVKDONJSA-N 1 0 340.384 -2.081 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001198251106 791204050 /nfs/dbraw/zinc/20/40/50/791204050.db2.gz BYUWXEVDGZKDMN-NSHDSACASA-N 1 0 340.384 -2.081 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC[N@H+](CCOCCO)CC2)nn1 ZINC001198252334 791205451 /nfs/dbraw/zinc/20/54/51/791205451.db2.gz OVUYYASNZNYAAJ-UHFFFAOYSA-N 1 0 340.384 -2.080 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001198255737 791204720 /nfs/dbraw/zinc/20/47/20/791204720.db2.gz UDCHAJGAXQFCKH-IJLUTSLNSA-N 1 0 335.426 -1.924 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001198255740 791204958 /nfs/dbraw/zinc/20/49/58/791204958.db2.gz UDCHAJGAXQFCKH-QJPTWQEYSA-N 1 0 335.426 -1.924 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001198256092 791204853 /nfs/dbraw/zinc/20/48/53/791204853.db2.gz VOMXAONSZVSSEW-CHWSQXEVSA-N 1 0 349.453 -1.534 20 0 EAADRO CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198256245 791204922 /nfs/dbraw/zinc/20/49/22/791204922.db2.gz YZPRTAPFVBLOFE-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001198261884 791200747 /nfs/dbraw/zinc/20/07/47/791200747.db2.gz JGJHVOBOOAVXQN-KFWWJZLASA-N 1 0 343.424 -1.178 20 0 EAADRO COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001198261885 791200567 /nfs/dbraw/zinc/20/05/67/791200567.db2.gz JGJHVOBOOAVXQN-RBSFLKMASA-N 1 0 343.424 -1.178 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@H]2O)C1 ZINC001198262216 791200869 /nfs/dbraw/zinc/20/08/69/791200869.db2.gz NPDJMOYSOZWWNZ-KFWWJZLASA-N 1 0 343.424 -1.180 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@H]2O)C1 ZINC001198262218 791201682 /nfs/dbraw/zinc/20/16/82/791201682.db2.gz 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COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001198262454 791202145 /nfs/dbraw/zinc/20/21/45/791202145.db2.gz RCLVYHGWKNWXCB-MGPQQGTHSA-N 1 0 329.397 -1.569 20 0 EAADRO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001198268291 791202571 /nfs/dbraw/zinc/20/25/71/791202571.db2.gz ATOMAKNBZKXIOD-VXGBXAGGSA-N 1 0 327.385 -1.912 20 0 EAADRO CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001198268296 791201958 /nfs/dbraw/zinc/20/19/58/791201958.db2.gz BCFMVGNQPPWIJN-CHWSQXEVSA-N 1 0 341.412 -1.522 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1)OC ZINC001198268337 791202361 /nfs/dbraw/zinc/20/23/61/791202361.db2.gz CXTHNWHTCKCKAM-IJLUTSLNSA-N 1 0 337.442 -1.536 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1)OC ZINC001198268338 791202873 /nfs/dbraw/zinc/20/28/73/791202873.db2.gz CXTHNWHTCKCKAM-QJPTWQEYSA-N 1 0 337.442 -1.536 20 0 EAADRO C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268353 791202792 /nfs/dbraw/zinc/20/27/92/791202792.db2.gz FMHKVJUBUACVFN-GMTAPVOTSA-N 1 0 325.406 -1.213 20 0 EAADRO C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268354 791203423 /nfs/dbraw/zinc/20/34/23/791203423.db2.gz FMHKVJUBUACVFN-HBNTYKKESA-N 1 0 325.406 -1.213 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@H]2O)c(=O)n1C ZINC001198268358 791202419 /nfs/dbraw/zinc/20/24/19/791202419.db2.gz FRQHEWFNJBRHJX-CHWSQXEVSA-N 1 0 341.412 -1.523 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001198268374 791202673 /nfs/dbraw/zinc/20/26/73/791202673.db2.gz GSBPUQSDLZNVKN-JHJVBQTASA-N 1 0 349.453 -1.534 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001198268375 791202586 /nfs/dbraw/zinc/20/25/86/791202586.db2.gz GSBPUQSDLZNVKN-YNEHKIRRSA-N 1 0 349.453 -1.534 20 0 EAADRO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@H]2O)c(=O)n1C ZINC001198268376 791202292 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ZINC001198672990 791227770 /nfs/dbraw/zinc/22/77/70/791227770.db2.gz VTTGPHCHWGYURZ-ZIAGYGMSSA-N 1 0 342.440 -1.604 20 0 EAADRO CS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673039 791228645 /nfs/dbraw/zinc/22/86/45/791228645.db2.gz XLEOEJYDVAFQEB-CHWSQXEVSA-N 1 0 333.454 -1.322 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673112 791228084 /nfs/dbraw/zinc/22/80/84/791228084.db2.gz YKVGECILNXCFOR-GHMZBOCLSA-N 1 0 327.385 -2.301 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198679843 791228924 /nfs/dbraw/zinc/22/89/24/791228924.db2.gz JIZAFIVADVJLAQ-MVWJERBFSA-N 1 0 326.353 -2.104 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198679844 791227887 /nfs/dbraw/zinc/22/78/87/791227887.db2.gz JIZAFIVADVJLAQ-YUSALJHKSA-N 1 0 326.353 -2.104 20 0 EAADRO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198687916 791229104 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HAUCHONTOXUQJI-MGPQQGTHSA-N 1 0 342.440 -1.796 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001198699622 791226479 /nfs/dbraw/zinc/22/64/79/791226479.db2.gz UUUZZSABMYOSCC-IACUBPJLSA-N 1 0 339.396 -1.301 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001198699623 791226745 /nfs/dbraw/zinc/22/67/45/791226745.db2.gz UUUZZSABMYOSCC-MRVWCRGKSA-N 1 0 339.396 -1.301 20 0 EAADRO COCCn1c(=O)cccc1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001198703251 791228550 /nfs/dbraw/zinc/22/85/50/791228550.db2.gz WHKRWJZGYNNVRF-UHFFFAOYSA-N 1 0 342.356 -1.227 20 0 EAADRO COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198705881 791231806 /nfs/dbraw/zinc/23/18/06/791231806.db2.gz AFTRFKSQJYYORQ-JHJVBQTASA-N 1 0 349.453 -1.344 20 0 EAADRO COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198705882 791231521 /nfs/dbraw/zinc/23/15/21/791231521.db2.gz AFTRFKSQJYYORQ-YNEHKIRRSA-N 1 0 349.453 -1.344 20 0 EAADRO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198706998 791231332 /nfs/dbraw/zinc/23/13/32/791231332.db2.gz KQSDDZMIIZYUFI-IJLUTSLNSA-N 1 0 335.426 -1.736 20 0 EAADRO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198707005 791232095 /nfs/dbraw/zinc/23/20/95/791232095.db2.gz KQSDDZMIIZYUFI-QJPTWQEYSA-N 1 0 335.426 -1.736 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001198707086 791232738 /nfs/dbraw/zinc/23/27/38/791232738.db2.gz LPSLXLLMJATMEG-IJLUTSLNSA-N 1 0 337.417 -1.021 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001198707090 791232484 /nfs/dbraw/zinc/23/24/84/791232484.db2.gz LPSLXLLMJATMEG-QJPTWQEYSA-N 1 0 337.417 -1.021 20 0 EAADRO CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198707241 791232523 /nfs/dbraw/zinc/23/25/23/791232523.db2.gz NCWNWAWXFIRGEL-JHJVBQTASA-N 1 0 349.453 -1.344 20 0 EAADRO CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198707242 791231921 /nfs/dbraw/zinc/23/19/21/791231921.db2.gz NCWNWAWXFIRGEL-YNEHKIRRSA-N 1 0 349.453 -1.344 20 0 EAADRO CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198707686 791232173 /nfs/dbraw/zinc/23/21/73/791232173.db2.gz PJSVWVZOTUYJAD-IJLUTSLNSA-N 1 0 335.426 -1.734 20 0 EAADRO CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198707688 791232558 /nfs/dbraw/zinc/23/25/58/791232558.db2.gz PJSVWVZOTUYJAD-QJPTWQEYSA-N 1 0 335.426 -1.734 20 0 EAADRO CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198708127 791232436 /nfs/dbraw/zinc/23/24/36/791232436.db2.gz SXRWWGMZKITFRS-JHJVBQTASA-N 1 0 349.453 -1.346 20 0 EAADRO CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198708129 791233214 /nfs/dbraw/zinc/23/32/14/791233214.db2.gz SXRWWGMZKITFRS-YNEHKIRRSA-N 1 0 349.453 -1.346 20 0 EAADRO COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198708215 791234581 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IOQAUBSNVSTJRH-YNEHKIRRSA-N 1 0 338.364 -2.037 20 0 EAADRO O=C(CCN1CCCC1=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198714986 791234313 /nfs/dbraw/zinc/23/43/13/791234313.db2.gz VTZXKUUJJCPSHK-CHWSQXEVSA-N 1 0 329.397 -1.831 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001198721687 791228483 /nfs/dbraw/zinc/22/84/83/791228483.db2.gz ADWSIDAFCKEMTO-NXEZZACHSA-N 1 0 341.380 -1.258 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001198721838 791228726 /nfs/dbraw/zinc/22/87/26/791228726.db2.gz DMAOZPFGFOWVNO-JHJVBQTASA-N 1 0 349.453 -1.344 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001198721839 791228057 /nfs/dbraw/zinc/22/80/57/791228057.db2.gz DMAOZPFGFOWVNO-YNEHKIRRSA-N 1 0 349.453 -1.344 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001198721849 791228828 /nfs/dbraw/zinc/22/88/28/791228828.db2.gz DWFSCEIRBBSIKH-CHWSQXEVSA-N 1 0 349.453 -1.486 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001198721875 791228775 /nfs/dbraw/zinc/22/87/75/791228775.db2.gz FWDSNGOBYLGHST-IJLUTSLNSA-N 1 0 335.426 -1.877 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001198721878 791228592 /nfs/dbraw/zinc/22/85/92/791228592.db2.gz FWDSNGOBYLGHST-QJPTWQEYSA-N 1 0 335.426 -1.877 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001198721901 791228953 /nfs/dbraw/zinc/22/89/53/791228953.db2.gz GMZHMIWUVDTAGD-JHJVBQTASA-N 1 0 349.453 -1.486 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001198721902 791228693 /nfs/dbraw/zinc/22/86/93/791228693.db2.gz GMZHMIWUVDTAGD-YNEHKIRRSA-N 1 0 349.453 -1.486 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O ZINC001198722144 791230187 /nfs/dbraw/zinc/23/01/87/791230187.db2.gz LACSVEFOMVGMCS-GHMZBOCLSA-N 1 0 325.406 -1.163 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001198722325 791230707 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791284924 /nfs/dbraw/zinc/28/49/24/791284924.db2.gz YQYSPWZXVMAEEU-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001199699369 791285343 /nfs/dbraw/zinc/28/53/43/791285343.db2.gz YQYSPWZXVMAEEU-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001199715065 791283072 /nfs/dbraw/zinc/28/30/72/791283072.db2.gz AUWJQENALXJOJH-GXSJLCMTSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001199715071 791283349 /nfs/dbraw/zinc/28/33/49/791283349.db2.gz AUWJQENALXJOJH-KOLCDFICSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001199715073 791283612 /nfs/dbraw/zinc/28/36/12/791283612.db2.gz AUWJQENALXJOJH-MWLCHTKSSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001199715074 791282957 /nfs/dbraw/zinc/28/29/57/791282957.db2.gz AUWJQENALXJOJH-ONGXEEELSA-N 1 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CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001199715649 791283478 /nfs/dbraw/zinc/28/34/78/791283478.db2.gz GRDHWBAKELWHRW-DGCLKSJQSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001199715650 791283170 /nfs/dbraw/zinc/28/31/70/791283170.db2.gz GRDHWBAKELWHRW-WCQYABFASA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001199715651 791283519 /nfs/dbraw/zinc/28/35/19/791283519.db2.gz GRDHWBAKELWHRW-YPMHNXCESA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001199715664 791283787 /nfs/dbraw/zinc/28/37/87/791283787.db2.gz HIFAFBPXFRSFNZ-KBPBESRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001199715665 791283294 /nfs/dbraw/zinc/28/32/94/791283294.db2.gz HIFAFBPXFRSFNZ-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001199715667 791282868 /nfs/dbraw/zinc/28/28/68/791282868.db2.gz HIFAFBPXFRSFNZ-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001199715668 791283270 /nfs/dbraw/zinc/28/32/70/791283270.db2.gz HIFAFBPXFRSFNZ-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001199715728 791284000 /nfs/dbraw/zinc/28/40/00/791284000.db2.gz ITDAAUUAWDAKBU-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001199715729 791283213 /nfs/dbraw/zinc/28/32/13/791283213.db2.gz ITDAAUUAWDAKBU-CQSZACIVSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001199715917 791284045 /nfs/dbraw/zinc/28/40/45/791284045.db2.gz JKTXUDCRCGBJAJ-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001199715918 791283342 /nfs/dbraw/zinc/28/33/42/791283342.db2.gz JKTXUDCRCGBJAJ-CQSZACIVSA-N 1 0 340.424 -1.048 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CNC(C)=O)CCCO2)C1=O ZINC001199715976 791283740 /nfs/dbraw/zinc/28/37/40/791283740.db2.gz KXDNHNAQZPVMTH-KBPBESRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CNC(C)=O)CCCO2)C1=O ZINC001199715977 791283322 /nfs/dbraw/zinc/28/33/22/791283322.db2.gz KXDNHNAQZPVMTH-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CNC(C)=O)CCCO2)C1=O ZINC001199715978 791284056 /nfs/dbraw/zinc/28/40/56/791284056.db2.gz KXDNHNAQZPVMTH-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CNC(C)=O)CCCO2)C1=O ZINC001199715979 791284019 /nfs/dbraw/zinc/28/40/19/791284019.db2.gz KXDNHNAQZPVMTH-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001199715989 791283537 /nfs/dbraw/zinc/28/35/37/791283537.db2.gz LCKWAHDGNDWXMC-CYBMUJFWSA-N 1 0 341.412 -1.645 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001199715991 791283662 /nfs/dbraw/zinc/28/36/62/791283662.db2.gz LCKWAHDGNDWXMC-ZDUSSCGKSA-N 1 0 341.412 -1.645 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001199716017 791282829 /nfs/dbraw/zinc/28/28/29/791282829.db2.gz LTHUSSWYROPTEP-JTQLQIEISA-N 1 0 329.357 -2.476 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001199716028 791284168 /nfs/dbraw/zinc/28/41/68/791284168.db2.gz LTHUSSWYROPTEP-SNVBAGLBSA-N 1 0 329.357 -2.476 20 0 EAADRO CO[C@H](C)CC(=O)N1CCC([NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001199716193 791283007 /nfs/dbraw/zinc/28/30/07/791283007.db2.gz JVPXMPMKMLGAGN-GFCCVEGCSA-N 1 0 340.424 -1.050 20 0 EAADRO CO[C@@H](C)CC(=O)N1CCC([NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001199716194 791283405 /nfs/dbraw/zinc/28/34/05/791283405.db2.gz JVPXMPMKMLGAGN-LBPRGKRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001199716459 791284082 /nfs/dbraw/zinc/28/40/82/791284082.db2.gz OHEJEAMDROPBFY-CYBMUJFWSA-N 1 0 349.453 -1.236 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001199716461 791283637 /nfs/dbraw/zinc/28/36/37/791283637.db2.gz OHEJEAMDROPBFY-ZDUSSCGKSA-N 1 0 349.453 -1.236 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001199716463 791285453 /nfs/dbraw/zinc/28/54/53/791285453.db2.gz OIGQKZSZQKNCEM-BXUZGUMPSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001199716478 791285540 /nfs/dbraw/zinc/28/55/40/791285540.db2.gz OIGQKZSZQKNCEM-FZMZJTMJSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001199716480 791284889 /nfs/dbraw/zinc/28/48/89/791284889.db2.gz OIGQKZSZQKNCEM-RISCZKNCSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001199716482 791285956 /nfs/dbraw/zinc/28/59/56/791285956.db2.gz OIGQKZSZQKNCEM-SMDDNHRTSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001199716486 791285512 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20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001199771538 791287067 /nfs/dbraw/zinc/28/70/67/791287067.db2.gz VQHOJNYLBFDYIZ-OCCSQVGLSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001199771539 791287908 /nfs/dbraw/zinc/28/79/08/791287908.db2.gz VQHOJNYLBFDYIZ-TZMCWYRMSA-N 1 0 331.413 -1.273 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001199771845 791286779 /nfs/dbraw/zinc/28/67/79/791286779.db2.gz ZWOQMVOAXTWZPV-GXSJLCMTSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001199771846 791287817 /nfs/dbraw/zinc/28/78/17/791287817.db2.gz ZWOQMVOAXTWZPV-KOLCDFICSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001199771847 791286844 /nfs/dbraw/zinc/28/68/44/791286844.db2.gz ZWOQMVOAXTWZPV-MWLCHTKSSA-N 1 0 343.384 -2.087 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001199771848 791287703 /nfs/dbraw/zinc/28/77/03/791287703.db2.gz ZWOQMVOAXTWZPV-ONGXEEELSA-N 1 0 343.384 -2.087 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)NC(C)=O)CCCO1 ZINC001199771849 791286709 /nfs/dbraw/zinc/28/67/09/791286709.db2.gz ZWPFDYFLHGUODN-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCCO1 ZINC001199771850 791287296 /nfs/dbraw/zinc/28/72/96/791287296.db2.gz ZWPFDYFLHGUODN-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CCCO1 ZINC001199771851 791287164 /nfs/dbraw/zinc/28/71/64/791287164.db2.gz ZWPFDYFLHGUODN-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCCO1 ZINC001199771852 791287745 /nfs/dbraw/zinc/28/77/45/791287745.db2.gz ZWPFDYFLHGUODN-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO COC[C@@H](C)C(=O)N1CCC([NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001199776552 791287436 /nfs/dbraw/zinc/28/74/36/791287436.db2.gz HXDNYRVWCLWPQX-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO COC[C@H](C)C(=O)N1CCC([NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001199776553 791286597 /nfs/dbraw/zinc/28/65/97/791286597.db2.gz HXDNYRVWCLWPQX-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO NC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001199778685 791286418 /nfs/dbraw/zinc/28/64/18/791286418.db2.gz AQJGUMNDBBPBQO-GFCCVEGCSA-N 1 0 341.412 -1.516 20 0 EAADRO NC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001199778686 791287080 /nfs/dbraw/zinc/28/70/80/791287080.db2.gz AQJGUMNDBBPBQO-LBPRGKRZSA-N 1 0 341.412 -1.516 20 0 EAADRO CCOCC(=O)N1CCCO[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001199778995 791287265 /nfs/dbraw/zinc/28/72/65/791287265.db2.gz CYWMWBQBAHPFPL-GFCCVEGCSA-N 1 0 342.396 -1.218 20 0 EAADRO CCOCC(=O)N1CCCO[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001199778996 791287873 /nfs/dbraw/zinc/28/78/73/791287873.db2.gz CYWMWBQBAHPFPL-LBPRGKRZSA-N 1 0 342.396 -1.218 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199779109 791286941 /nfs/dbraw/zinc/28/69/41/791286941.db2.gz FZSLSTCIYVQQNV-NEPJUHHUSA-N 1 0 343.428 -1.224 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199779110 791286650 /nfs/dbraw/zinc/28/66/50/791286650.db2.gz FZSLSTCIYVQQNV-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199779111 791287401 /nfs/dbraw/zinc/28/74/01/791287401.db2.gz FZSLSTCIYVQQNV-RYUDHWBXSA-N 1 0 343.428 -1.224 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199779112 791287853 /nfs/dbraw/zinc/28/78/53/791287853.db2.gz FZSLSTCIYVQQNV-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC1CC1 ZINC001199779119 791286922 /nfs/dbraw/zinc/28/69/22/791286922.db2.gz GCYUDKBPROEZDW-CMPLNLGQSA-N 1 0 341.412 -1.471 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC1CC1 ZINC001199779122 791286303 /nfs/dbraw/zinc/28/63/03/791286303.db2.gz GCYUDKBPROEZDW-JQWIXIFHSA-N 1 0 341.412 -1.471 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC1CC1 ZINC001199779123 791287803 /nfs/dbraw/zinc/28/78/03/791287803.db2.gz GCYUDKBPROEZDW-PWSUYJOCSA-N 1 0 341.412 -1.471 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC1CC1 ZINC001199779124 791287121 /nfs/dbraw/zinc/28/71/21/791287121.db2.gz GCYUDKBPROEZDW-ZYHUDNBSSA-N 1 0 341.412 -1.471 20 0 EAADRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001199779293 791286770 /nfs/dbraw/zinc/28/67/70/791286770.db2.gz IPNCFBQJQUNRIU-JTQLQIEISA-N 1 0 339.352 -1.001 20 0 EAADRO Cc1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001199779294 791287337 /nfs/dbraw/zinc/28/73/37/791287337.db2.gz IPNCFBQJQUNRIU-SNVBAGLBSA-N 1 0 339.352 -1.001 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC(N)=O ZINC001199779562 791286971 /nfs/dbraw/zinc/28/69/71/791286971.db2.gz LRPRKGKOBTXVED-BDAKNGLRSA-N 1 0 344.372 -2.555 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC(N)=O ZINC001199779577 791287419 /nfs/dbraw/zinc/28/74/19/791287419.db2.gz LRPRKGKOBTXVED-DTWKUNHWSA-N 1 0 344.372 -2.555 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC(N)=O ZINC001199779578 791286387 /nfs/dbraw/zinc/28/63/87/791286387.db2.gz LRPRKGKOBTXVED-IUCAKERBSA-N 1 0 344.372 -2.555 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1)C(=O)NC(N)=O ZINC001199779580 791286473 /nfs/dbraw/zinc/28/64/73/791286473.db2.gz LRPRKGKOBTXVED-RKDXNWHRSA-N 1 0 344.372 -2.555 20 0 EAADRO NC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001199779891 791286492 /nfs/dbraw/zinc/28/64/92/791286492.db2.gz NWFFVNILIFKJPY-GFCCVEGCSA-N 1 0 341.412 -1.516 20 0 EAADRO NC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001199779892 791286893 /nfs/dbraw/zinc/28/68/93/791286893.db2.gz NWFFVNILIFKJPY-LBPRGKRZSA-N 1 0 341.412 -1.516 20 0 EAADRO CCOCC(=O)N1CCCO[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001199779977 791286900 /nfs/dbraw/zinc/28/69/00/791286900.db2.gz OZJZHSGNFFUMIP-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CCOCC(=O)N1CCCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001199779979 791287913 /nfs/dbraw/zinc/28/79/13/791287913.db2.gz OZJZHSGNFFUMIP-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO CCOCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001199780985 791286273 /nfs/dbraw/zinc/28/62/73/791286273.db2.gz YQFWLRYVCMPICD-GHMZBOCLSA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001199780986 791287592 /nfs/dbraw/zinc/28/75/92/791287592.db2.gz YQFWLRYVCMPICD-MNOVXSKESA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001199780987 791286578 /nfs/dbraw/zinc/28/65/78/791286578.db2.gz YQFWLRYVCMPICD-QWRGUYRKSA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001199780988 791287730 /nfs/dbraw/zinc/28/77/30/791287730.db2.gz YQFWLRYVCMPICD-WDEREUQCSA-N 1 0 330.385 -1.187 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199785728 791287044 /nfs/dbraw/zinc/28/70/44/791287044.db2.gz BRERPEYVNKNVMW-GHMZBOCLSA-N 1 0 325.373 -1.985 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199785732 791287325 /nfs/dbraw/zinc/28/73/25/791287325.db2.gz BRERPEYVNKNVMW-MNOVXSKESA-N 1 0 325.373 -1.985 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199785735 791287280 /nfs/dbraw/zinc/28/72/80/791287280.db2.gz BRERPEYVNKNVMW-QWRGUYRKSA-N 1 0 325.373 -1.985 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199785736 791287018 /nfs/dbraw/zinc/28/70/18/791287018.db2.gz BRERPEYVNKNVMW-WDEREUQCSA-N 1 0 325.373 -1.985 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199786045 791286366 /nfs/dbraw/zinc/28/63/66/791286366.db2.gz CKPUUQNHWALIAZ-GFCCVEGCSA-N 1 0 339.400 -1.595 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199786047 791286804 /nfs/dbraw/zinc/28/68/04/791286804.db2.gz CKPUUQNHWALIAZ-LBPRGKRZSA-N 1 0 339.400 -1.595 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199786091 791287309 /nfs/dbraw/zinc/28/73/09/791287309.db2.gz CPUGUSCCRDYPMP-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199786098 791286505 /nfs/dbraw/zinc/28/65/05/791286505.db2.gz CPUGUSCCRDYPMP-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199786456 791286552 /nfs/dbraw/zinc/28/65/52/791286552.db2.gz FWNJWPLFAXVCAZ-LLVKDONJSA-N 1 0 346.413 -2.075 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199786457 791286825 /nfs/dbraw/zinc/28/68/25/791286825.db2.gz FWNJWPLFAXVCAZ-NSHDSACASA-N 1 0 346.413 -2.075 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2=O)CCCO1 ZINC001199786468 791287758 /nfs/dbraw/zinc/28/77/58/791287758.db2.gz GIGFHKVTTFROAU-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCCC2=O)CCCO1 ZINC001199786469 791287144 /nfs/dbraw/zinc/28/71/44/791287144.db2.gz GIGFHKVTTFROAU-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO O=C(Cn1cnnn1)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001199786773 791287784 /nfs/dbraw/zinc/28/77/84/791287784.db2.gz HRRIIZMQCVPOHV-GFCCVEGCSA-N 1 0 328.373 -2.111 20 0 EAADRO O=C(Cn1cnnn1)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001199786779 791286835 /nfs/dbraw/zinc/28/68/35/791286835.db2.gz HRRIIZMQCVPOHV-LBPRGKRZSA-N 1 0 328.373 -2.111 20 0 EAADRO O=C(CN1CCCC1=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001199786796 791289072 /nfs/dbraw/zinc/28/90/72/791289072.db2.gz HYIJUGGPFFZBAN-AWEZNQCLSA-N 1 0 343.424 -1.175 20 0 EAADRO O=C(CN1CCCC1=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001199786837 791289633 /nfs/dbraw/zinc/28/96/33/791289633.db2.gz HYIJUGGPFFZBAN-CQSZACIVSA-N 1 0 343.424 -1.175 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1)C(=O)N(C)C ZINC001199786920 791288938 /nfs/dbraw/zinc/28/89/38/791288938.db2.gz IQTXHPIKWYMGHJ-NEPJUHHUSA-N 1 0 339.400 -1.643 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1)C(=O)N(C)C ZINC001199786933 791288764 /nfs/dbraw/zinc/28/87/64/791288764.db2.gz IQTXHPIKWYMGHJ-NWDGAFQWSA-N 1 0 339.400 -1.643 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1)C(=O)N(C)C ZINC001199786934 791288101 /nfs/dbraw/zinc/28/81/01/791288101.db2.gz IQTXHPIKWYMGHJ-RYUDHWBXSA-N 1 0 339.400 -1.643 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1)C(=O)N(C)C ZINC001199786936 791288713 /nfs/dbraw/zinc/28/87/13/791288713.db2.gz IQTXHPIKWYMGHJ-VXGBXAGGSA-N 1 0 339.400 -1.643 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1)C(N)=O ZINC001199787079 791289316 /nfs/dbraw/zinc/28/93/16/791289316.db2.gz JIWTUHUGDDVSFJ-GHMZBOCLSA-N 1 0 325.373 -1.856 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1)C(N)=O ZINC001199787084 791288640 /nfs/dbraw/zinc/28/86/40/791288640.db2.gz JIWTUHUGDDVSFJ-MNOVXSKESA-N 1 0 325.373 -1.856 20 0 EAADRO CC[C@H]([NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1)C(N)=O ZINC001199787086 791288569 /nfs/dbraw/zinc/28/85/69/791288569.db2.gz JIWTUHUGDDVSFJ-QWRGUYRKSA-N 1 0 325.373 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CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199787195 791288247 /nfs/dbraw/zinc/28/82/47/791288247.db2.gz LGRSZSSGNGKUCZ-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199787198 791289017 /nfs/dbraw/zinc/28/90/17/791289017.db2.gz LGRSZSSGNGKUCZ-NSHDSACASA-N 1 0 325.373 -1.984 20 0 EAADRO O=C(Cn1cnnn1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001199787326 791288684 /nfs/dbraw/zinc/28/86/84/791288684.db2.gz LXXFQWVGTZWYMZ-GFCCVEGCSA-N 1 0 335.372 -1.828 20 0 EAADRO O=C(Cn1cnnn1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001199787327 791289142 /nfs/dbraw/zinc/28/91/42/791289142.db2.gz LXXFQWVGTZWYMZ-LBPRGKRZSA-N 1 0 335.372 -1.828 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2=O)CCCO1 ZINC001199787341 791288921 /nfs/dbraw/zinc/28/89/21/791288921.db2.gz MLOVYIIPDMRIRQ-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCCC2=O)CCCO1 ZINC001199787343 791289332 /nfs/dbraw/zinc/28/93/32/791289332.db2.gz 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791320474 /nfs/dbraw/zinc/32/04/74/791320474.db2.gz OTWVTJYADXMQAW-RYUDHWBXSA-N 1 0 340.380 -1.466 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCCO1)N1CCC1 ZINC001200404685 791320594 /nfs/dbraw/zinc/32/05/94/791320594.db2.gz OTWVTJYADXMQAW-VXGBXAGGSA-N 1 0 340.380 -1.466 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCCO1 ZINC001200405180 791320994 /nfs/dbraw/zinc/32/09/94/791320994.db2.gz UDHYKZCXHSYMAW-GHMZBOCLSA-N 1 0 328.369 -1.562 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC001200405181 791320489 /nfs/dbraw/zinc/32/04/89/791320489.db2.gz UDHYKZCXHSYMAW-MNOVXSKESA-N 1 0 328.369 -1.562 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC001200405182 791321349 /nfs/dbraw/zinc/32/13/49/791321349.db2.gz UDHYKZCXHSYMAW-QWRGUYRKSA-N 1 0 328.369 -1.562 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCCO1 ZINC001200405183 791320109 /nfs/dbraw/zinc/32/01/09/791320109.db2.gz UDHYKZCXHSYMAW-WDEREUQCSA-N 1 0 328.369 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CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](O)C(C)C)CCCO1 ZINC001200411230 791321307 /nfs/dbraw/zinc/32/13/07/791321307.db2.gz JLEUTPPBIAGLHK-WCQYABFASA-N 1 0 344.412 -1.334 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200411632 791320131 /nfs/dbraw/zinc/32/01/31/791320131.db2.gz NVJSJAOKEFBFNH-CMPLNLGQSA-N 1 0 330.385 -1.595 20 0 EAADRO CC(C)[C@@H](O)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200411633 791321068 /nfs/dbraw/zinc/32/10/68/791321068.db2.gz NVJSJAOKEFBFNH-ZYHUDNBSSA-N 1 0 330.385 -1.595 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001200412369 791321161 /nfs/dbraw/zinc/32/11/61/791321161.db2.gz WUHZMHVJJCKNJG-NEPJUHHUSA-N 1 0 338.368 -1.406 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001200412372 791320680 /nfs/dbraw/zinc/32/06/80/791320680.db2.gz WUHZMHVJJCKNJG-NWDGAFQWSA-N 1 0 338.368 -1.406 20 0 EAADRO O=C([C@@H]1COC(=O)N1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001200412373 791320949 /nfs/dbraw/zinc/32/09/49/791320949.db2.gz WUHZMHVJJCKNJG-RYUDHWBXSA-N 1 0 338.368 -1.406 20 0 EAADRO O=C([C@H]1COC(=O)N1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001200412375 791321183 /nfs/dbraw/zinc/32/11/83/791321183.db2.gz WUHZMHVJJCKNJG-VXGBXAGGSA-N 1 0 338.368 -1.406 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCn3cncn3)C2)nn1 ZINC001200419538 791323338 /nfs/dbraw/zinc/32/33/38/791323338.db2.gz KGPAEVGKKGAQCL-GFCCVEGCSA-N 1 0 334.384 -1.073 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCn3cncn3)C2)nn1 ZINC001200419540 791322992 /nfs/dbraw/zinc/32/29/92/791322992.db2.gz KGPAEVGKKGAQCL-LBPRGKRZSA-N 1 0 334.384 -1.073 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)n1 ZINC001200420120 791321048 /nfs/dbraw/zinc/32/10/48/791321048.db2.gz PILUIYGBZVFTIQ-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cnc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)n1 ZINC001200420121 791321226 /nfs/dbraw/zinc/32/12/26/791321226.db2.gz PILUIYGBZVFTIQ-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)nn1 ZINC001200420306 791320536 /nfs/dbraw/zinc/32/05/36/791320536.db2.gz QWFWPVLDUDCIOO-GFCCVEGCSA-N 1 0 327.385 -1.355 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)nn1 ZINC001200420309 791322349 /nfs/dbraw/zinc/32/23/49/791322349.db2.gz QWFWPVLDUDCIOO-LBPRGKRZSA-N 1 0 327.385 -1.355 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc(C)o2)CCCO1 ZINC001200420337 791322187 /nfs/dbraw/zinc/32/21/87/791322187.db2.gz REJGAWAXALKGLS-LLVKDONJSA-N 1 0 325.369 -1.126 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2nnc(C)o2)CCCO1 ZINC001200420361 791322553 /nfs/dbraw/zinc/32/25/53/791322553.db2.gz REJGAWAXALKGLS-NSHDSACASA-N 1 0 325.369 -1.126 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)nn2)CCCO1 ZINC001200420410 791322142 /nfs/dbraw/zinc/32/21/42/791322142.db2.gz RPJXKXUCOATITF-NEPJUHHUSA-N 1 0 327.385 -1.357 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nn2)CCCO1 ZINC001200420411 791321953 /nfs/dbraw/zinc/32/19/53/791321953.db2.gz RPJXKXUCOATITF-NWDGAFQWSA-N 1 0 327.385 -1.357 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)nn2)CCCO1 ZINC001200420413 791321923 /nfs/dbraw/zinc/32/19/23/791321923.db2.gz RPJXKXUCOATITF-RYUDHWBXSA-N 1 0 327.385 -1.357 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nn2)CCCO1 ZINC001200420414 791322679 /nfs/dbraw/zinc/32/26/79/791322679.db2.gz RPJXKXUCOATITF-VXGBXAGGSA-N 1 0 327.385 -1.357 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001200420432 791323248 /nfs/dbraw/zinc/32/32/48/791323248.db2.gz RTFLHDOAACYALP-SECBINFHSA-N 1 0 339.356 -2.169 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001200420433 791323315 /nfs/dbraw/zinc/32/33/15/791323315.db2.gz RTFLHDOAACYALP-VIFPVBQESA-N 1 0 339.356 -2.169 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)nn1 ZINC001200420546 791322590 /nfs/dbraw/zinc/32/25/90/791322590.db2.gz SPAHDRIQCKCJSN-LLVKDONJSA-N 1 0 345.425 -1.320 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)nn1 ZINC001200420547 791322844 /nfs/dbraw/zinc/32/28/44/791322844.db2.gz SPAHDRIQCKCJSN-NSHDSACASA-N 1 0 345.425 -1.320 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC3CC3)C2)nn1 ZINC001200420549 791322572 /nfs/dbraw/zinc/32/25/72/791322572.db2.gz SPODTHNGHOEUDF-GFCCVEGCSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)nn1 ZINC001200420550 791322511 /nfs/dbraw/zinc/32/25/11/791322511.db2.gz SPODTHNGHOEUDF-LBPRGKRZSA-N 1 0 336.396 -1.086 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001200420832 791322001 /nfs/dbraw/zinc/32/20/01/791322001.db2.gz ZJHIBKLOFHIGRP-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)nn1 ZINC001200420833 791322200 /nfs/dbraw/zinc/32/22/00/791322200.db2.gz ZJHIBKLOFHIGRP-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO CNC(=O)NCCC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001200427699 791323050 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/nfs/dbraw/zinc/33/18/92/791331892.db2.gz HMPJTGHSHMFQNK-GFCCVEGCSA-N 1 0 343.428 -1.351 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(=O)NC)CCCO1 ZINC001200641706 791332448 /nfs/dbraw/zinc/33/24/48/791332448.db2.gz HMPJTGHSHMFQNK-LBPRGKRZSA-N 1 0 343.428 -1.351 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 ZINC001200641707 791332190 /nfs/dbraw/zinc/33/21/90/791332190.db2.gz HNDRDJPPCAXUFH-GFCCVEGCSA-N 1 0 337.442 -1.269 20 0 EAADRO COCC[NH2+]C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 ZINC001200641708 791332087 /nfs/dbraw/zinc/33/20/87/791332087.db2.gz HNDRDJPPCAXUFH-LBPRGKRZSA-N 1 0 337.442 -1.269 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001200641731 791332446 /nfs/dbraw/zinc/33/24/46/791332446.db2.gz HUHRHXIJPTXQLP-GFCCVEGCSA-N 1 0 332.401 -1.869 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001200641732 791331683 /nfs/dbraw/zinc/33/16/83/791331683.db2.gz HUHRHXIJPTXQLP-LBPRGKRZSA-N 1 0 332.401 -1.869 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001200641743 791332272 /nfs/dbraw/zinc/33/22/72/791332272.db2.gz IDMYTGRDXYCVAH-NEPJUHHUSA-N 1 0 341.412 -1.599 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001200641744 791331955 /nfs/dbraw/zinc/33/19/55/791331955.db2.gz IDMYTGRDXYCVAH-NWDGAFQWSA-N 1 0 341.412 -1.599 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001200641745 791332438 /nfs/dbraw/zinc/33/24/38/791332438.db2.gz IDMYTGRDXYCVAH-RYUDHWBXSA-N 1 0 341.412 -1.599 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001200641746 791332423 /nfs/dbraw/zinc/33/24/23/791332423.db2.gz IDMYTGRDXYCVAH-VXGBXAGGSA-N 1 0 341.412 -1.599 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001200641777 791332498 /nfs/dbraw/zinc/33/24/98/791332498.db2.gz JPEKJBYQTAYCRU-LLVKDONJSA-N 1 0 329.401 -1.789 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001200641778 791333890 /nfs/dbraw/zinc/33/38/90/791333890.db2.gz JPEKJBYQTAYCRU-NSHDSACASA-N 1 0 329.401 -1.789 20 0 EAADRO CN(CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)S(C)(=O)=O ZINC001200641811 791333361 /nfs/dbraw/zinc/33/33/61/791333361.db2.gz KJEDRGVLFPUAHI-GFCCVEGCSA-N 1 0 337.442 -1.533 20 0 EAADRO CN(CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)S(C)(=O)=O ZINC001200641812 791333572 /nfs/dbraw/zinc/33/35/72/791333572.db2.gz KJEDRGVLFPUAHI-LBPRGKRZSA-N 1 0 337.442 -1.533 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCOCCOC)C1 ZINC001200641817 791334021 /nfs/dbraw/zinc/33/40/21/791334021.db2.gz KOZJKPXQYBOUMZ-CYBMUJFWSA-N 1 0 346.428 -1.215 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCOCCOC)C1 ZINC001200641818 791333162 /nfs/dbraw/zinc/33/31/62/791333162.db2.gz KOZJKPXQYBOUMZ-ZDUSSCGKSA-N 1 0 346.428 -1.215 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)CCCO1 ZINC001200641833 791333453 /nfs/dbraw/zinc/33/34/53/791333453.db2.gz LCJBXRCJKWUEPD-LLVKDONJSA-N 1 0 329.401 -1.741 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(=O)NC)CCCO1 ZINC001200641834 791333920 /nfs/dbraw/zinc/33/39/20/791333920.db2.gz LCJBXRCJKWUEPD-NSHDSACASA-N 1 0 329.401 -1.741 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001200641913 791332812 /nfs/dbraw/zinc/33/28/12/791332812.db2.gz NFSNSEHVXGPYFB-NEPJUHHUSA-N 1 0 332.401 -1.870 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001200641914 791333338 /nfs/dbraw/zinc/33/33/38/791333338.db2.gz NFSNSEHVXGPYFB-NWDGAFQWSA-N 1 0 332.401 -1.870 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001200641915 791333694 /nfs/dbraw/zinc/33/36/94/791333694.db2.gz NFSNSEHVXGPYFB-RYUDHWBXSA-N 1 0 332.401 -1.870 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001200641916 791332828 /nfs/dbraw/zinc/33/28/28/791332828.db2.gz NFSNSEHVXGPYFB-VXGBXAGGSA-N 1 0 332.401 -1.870 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001200641945 791333866 /nfs/dbraw/zinc/33/38/66/791333866.db2.gz OVALHUPVGOEUJZ-CHWSQXEVSA-N 1 0 331.413 -1.321 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001200641946 791333411 /nfs/dbraw/zinc/33/34/11/791333411.db2.gz OVALHUPVGOEUJZ-OLZOCXBDSA-N 1 0 331.413 -1.321 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001200641947 791333607 /nfs/dbraw/zinc/33/36/07/791333607.db2.gz OVALHUPVGOEUJZ-QWHCGFSZSA-N 1 0 331.413 -1.321 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001200641948 791333110 /nfs/dbraw/zinc/33/31/10/791333110.db2.gz OVALHUPVGOEUJZ-STQMWFEESA-N 1 0 331.413 -1.321 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCCO1)C(N)=O ZINC001200641967 791333779 /nfs/dbraw/zinc/33/37/79/791333779.db2.gz PDOAOSUIMFZBBM-AAEUAGOBSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCCO1)C(N)=O ZINC001200641968 791333326 /nfs/dbraw/zinc/33/33/26/791333326.db2.gz PDOAOSUIMFZBBM-DGCLKSJQSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCCO1)C(N)=O ZINC001200641969 791333701 /nfs/dbraw/zinc/33/37/01/791333701.db2.gz PDOAOSUIMFZBBM-WCQYABFASA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCCO1)C(N)=O ZINC001200641970 791333613 /nfs/dbraw/zinc/33/36/13/791333613.db2.gz PDOAOSUIMFZBBM-YPMHNXCESA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 ZINC001200641991 791333823 /nfs/dbraw/zinc/33/38/23/791333823.db2.gz PTQMUQKCZLDXDO-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 ZINC001200641992 791333140 /nfs/dbraw/zinc/33/31/40/791333140.db2.gz PTQMUQKCZLDXDO-NWDGAFQWSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 ZINC001200641993 791333567 /nfs/dbraw/zinc/33/35/67/791333567.db2.gz PTQMUQKCZLDXDO-RYUDHWBXSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 ZINC001200641994 791333531 /nfs/dbraw/zinc/33/35/31/791333531.db2.gz PTQMUQKCZLDXDO-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)CCCO1 ZINC001200642007 791333575 /nfs/dbraw/zinc/33/35/75/791333575.db2.gz QEECYCOCKCXNEN-SECBINFHSA-N 1 0 333.352 -1.341 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc3n[nH]nc3n2)CCCO1 ZINC001200642008 791334043 /nfs/dbraw/zinc/33/40/43/791334043.db2.gz QEECYCOCKCXNEN-VIFPVBQESA-N 1 0 333.352 -1.341 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200642047 791333570 /nfs/dbraw/zinc/33/35/70/791333570.db2.gz RSMNACCVPKSXHX-CYBMUJFWSA-N 1 0 331.413 -1.271 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200642048 791333446 /nfs/dbraw/zinc/33/34/46/791333446.db2.gz RSMNACCVPKSXHX-ZDUSSCGKSA-N 1 0 331.413 -1.271 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)COC)CCCO1 ZINC001200642077 791333475 /nfs/dbraw/zinc/33/34/75/791333475.db2.gz SQURBSOIXJUDLX-CYBMUJFWSA-N 1 0 331.413 -1.007 20 0 EAADRO COCC[NH2+]C[C@H]1CN(C(=O)CCNC(=O)COC)CCCO1 ZINC001200642078 791333217 /nfs/dbraw/zinc/33/32/17/791333217.db2.gz SQURBSOIXJUDLX-ZDUSSCGKSA-N 1 0 331.413 -1.007 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001200642079 791332942 /nfs/dbraw/zinc/33/29/42/791332942.db2.gz SRYWCRWSIGEACI-GFCCVEGCSA-N 1 0 339.400 -1.549 20 0 EAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001200642080 791333536 /nfs/dbraw/zinc/33/35/36/791333536.db2.gz SRYWCRWSIGEACI-LBPRGKRZSA-N 1 0 339.400 -1.549 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200642081 791334033 /nfs/dbraw/zinc/33/40/33/791334033.db2.gz SUVJCEJFKGWYDV-LLVKDONJSA-N 1 0 330.385 -2.216 20 0 EAADRO COCC(=O)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200642082 791333092 /nfs/dbraw/zinc/33/30/92/791333092.db2.gz SUVJCEJFKGWYDV-NSHDSACASA-N 1 0 330.385 -2.216 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001200642083 791333833 /nfs/dbraw/zinc/33/38/33/791333833.db2.gz SVEMFFNWWWNLKH-CHWSQXEVSA-N 1 0 331.413 -1.273 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001200642084 791334065 /nfs/dbraw/zinc/33/40/65/791334065.db2.gz SVEMFFNWWWNLKH-OLZOCXBDSA-N 1 0 331.413 -1.273 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001200642085 791333632 /nfs/dbraw/zinc/33/36/32/791333632.db2.gz SVEMFFNWWWNLKH-QWHCGFSZSA-N 1 0 331.413 -1.273 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001200642086 791332837 /nfs/dbraw/zinc/33/28/37/791332837.db2.gz SVEMFFNWWWNLKH-STQMWFEESA-N 1 0 331.413 -1.273 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200642095 791334069 /nfs/dbraw/zinc/33/40/69/791334069.db2.gz SYOLYHPWZZOQJW-LLVKDONJSA-N 1 0 330.385 -2.169 20 0 EAADRO COCC(=O)NCCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200642096 791333561 /nfs/dbraw/zinc/33/35/61/791333561.db2.gz SYOLYHPWZZOQJW-NSHDSACASA-N 1 0 330.385 -2.169 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc3n[nH]nc3n2)CCCO1 ZINC001200642290 791333266 /nfs/dbraw/zinc/33/32/66/791333266.db2.gz WCXWJBPIKSKGFL-JTQLQIEISA-N 1 0 347.379 -1.080 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)CCCO1 ZINC001200642293 791333964 /nfs/dbraw/zinc/33/39/64/791333964.db2.gz WCXWJBPIKSKGFL-SNVBAGLBSA-N 1 0 347.379 -1.080 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)CCCO1 ZINC001200642325 791333246 /nfs/dbraw/zinc/33/32/46/791333246.db2.gz WVUYZILIFDZXBI-CYBMUJFWSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCNC(=O)C2CC2)CCCO1 ZINC001200642326 791332919 /nfs/dbraw/zinc/33/29/19/791332919.db2.gz WVUYZILIFDZXBI-ZDUSSCGKSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC([NH2+]CCOCCO)CC2)n1 ZINC001200643448 791334770 /nfs/dbraw/zinc/33/47/70/791334770.db2.gz CNDPCPAVDHLTOX-UHFFFAOYSA-N 1 0 340.384 -2.034 20 0 EAADRO NC(=O)c1ncn(CC(=O)N2CCC([NH2+]CC(=O)NC3CC3)CC2)n1 ZINC001200643551 791334646 /nfs/dbraw/zinc/33/46/46/791334646.db2.gz DJMHEQFDHKBURP-UHFFFAOYSA-N 1 0 349.395 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EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 ZINC001200767886 791336499 /nfs/dbraw/zinc/33/64/99/791336499.db2.gz XVXQYFNBVLQJOT-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 ZINC001200767888 791336021 /nfs/dbraw/zinc/33/60/21/791336021.db2.gz XVXQYFNBVLQJOT-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 ZINC001200767979 791336146 /nfs/dbraw/zinc/33/61/46/791336146.db2.gz ZHJKJBSGHZIUIV-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 ZINC001200767982 791336552 /nfs/dbraw/zinc/33/65/52/791336552.db2.gz ZHJKJBSGHZIUIV-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cn2nccn2)CC1 ZINC001200775033 791339082 /nfs/dbraw/zinc/33/90/82/791339082.db2.gz BDOGQNXSUVZODP-JTQLQIEISA-N 1 0 337.384 -1.297 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cn2nccn2)CC1 ZINC001200775037 791339522 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COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)Cn2nccn2)CC1 ZINC001200776917 791338527 /nfs/dbraw/zinc/33/85/27/791338527.db2.gz XGDQHPCIVXIDSO-CQSZACIVSA-N 1 0 341.412 -1.117 20 0 EAADRO CN1CC[C@H](CC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1=O ZINC001200778915 791338833 /nfs/dbraw/zinc/33/88/33/791338833.db2.gz ZXQSKSJBMGLCRY-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO CN1CC[C@@H](CC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1=O ZINC001200778917 791339751 /nfs/dbraw/zinc/33/97/51/791339751.db2.gz ZXQSKSJBMGLCRY-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO CN1CC[C@@H](CC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1=O ZINC001200778920 791338710 /nfs/dbraw/zinc/33/87/10/791338710.db2.gz ZXQSKSJBMGLCRY-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO CN1CC[C@H](CC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1=O ZINC001200778922 791338774 /nfs/dbraw/zinc/33/87/74/791338774.db2.gz ZXQSKSJBMGLCRY-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cn2nccn2)CC1 ZINC001200782774 791339105 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ROGSKIJHLMMQAN-QWHCGFSZSA-N 1 0 328.413 -1.024 20 0 EAADRO NC(=O)N1CCC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001200912645 791346038 /nfs/dbraw/zinc/34/60/38/791346038.db2.gz ROGSKIJHLMMQAN-STQMWFEESA-N 1 0 328.413 -1.024 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 ZINC001200912716 791346761 /nfs/dbraw/zinc/34/67/61/791346761.db2.gz SKWINVAPUYEYTM-LLVKDONJSA-N 1 0 340.380 -1.782 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 ZINC001200912717 791346080 /nfs/dbraw/zinc/34/60/80/791346080.db2.gz SKWINVAPUYEYTM-NSHDSACASA-N 1 0 340.380 -1.782 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200913043 791346233 /nfs/dbraw/zinc/34/62/33/791346233.db2.gz VFNGDLGFRCCAMO-GFCCVEGCSA-N 1 0 327.381 -1.275 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200913049 791346696 /nfs/dbraw/zinc/34/66/96/791346696.db2.gz VFNGDLGFRCCAMO-LBPRGKRZSA-N 1 0 327.381 -1.275 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CCCO1 ZINC001200913385 791346790 /nfs/dbraw/zinc/34/67/90/791346790.db2.gz YLMFDJUVKGLGOX-NEPJUHHUSA-N 1 0 341.412 -1.531 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)CCCO1 ZINC001200913386 791346114 /nfs/dbraw/zinc/34/61/14/791346114.db2.gz YLMFDJUVKGLGOX-NWDGAFQWSA-N 1 0 341.412 -1.531 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)CCCO1 ZINC001200913387 791346801 /nfs/dbraw/zinc/34/68/01/791346801.db2.gz YLMFDJUVKGLGOX-RYUDHWBXSA-N 1 0 341.412 -1.531 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CCCO1 ZINC001200913388 791346374 /nfs/dbraw/zinc/34/63/74/791346374.db2.gz YLMFDJUVKGLGOX-VXGBXAGGSA-N 1 0 341.412 -1.531 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 ZINC001200919423 791346750 /nfs/dbraw/zinc/34/67/50/791346750.db2.gz ADXQXANNNYOUAH-GFCCVEGCSA-N 1 0 343.428 -1.222 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 ZINC001200919425 791345991 /nfs/dbraw/zinc/34/59/91/791345991.db2.gz ADXQXANNNYOUAH-LBPRGKRZSA-N 1 0 343.428 -1.222 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC001200919959 791346653 /nfs/dbraw/zinc/34/66/53/791346653.db2.gz IGLLMUPALYYRSD-NEPJUHHUSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC001200919960 791346828 /nfs/dbraw/zinc/34/68/28/791346828.db2.gz IGLLMUPALYYRSD-NWDGAFQWSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC001200919961 791346345 /nfs/dbraw/zinc/34/63/45/791346345.db2.gz IGLLMUPALYYRSD-RYUDHWBXSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC001200919962 791346486 /nfs/dbraw/zinc/34/64/86/791346486.db2.gz IGLLMUPALYYRSD-VXGBXAGGSA-N 1 0 347.437 -1.496 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 ZINC001200921592 791346507 /nfs/dbraw/zinc/34/65/07/791346507.db2.gz WNJKEWMFSAGQOS-LLVKDONJSA-N 1 0 329.401 -1.483 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 ZINC001200921597 791346818 /nfs/dbraw/zinc/34/68/18/791346818.db2.gz WNJKEWMFSAGQOS-NSHDSACASA-N 1 0 329.401 -1.483 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCCCNC(N)=O)CCCO1)C(N)=O ZINC001200921793 791346065 /nfs/dbraw/zinc/34/60/65/791346065.db2.gz ZIUYENIGQKSBER-NEPJUHHUSA-N 1 0 343.428 -1.094 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCCNC(N)=O)CCCO1)C(N)=O ZINC001200921795 791346598 /nfs/dbraw/zinc/34/65/98/791346598.db2.gz ZIUYENIGQKSBER-NWDGAFQWSA-N 1 0 343.428 -1.094 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCCCNC(N)=O)CCCO1)C(N)=O ZINC001200921797 791345721 /nfs/dbraw/zinc/34/57/21/791345721.db2.gz ZIUYENIGQKSBER-RYUDHWBXSA-N 1 0 343.428 -1.094 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCCNC(N)=O)CCCO1)C(N)=O ZINC001200921799 791345830 /nfs/dbraw/zinc/34/58/30/791345830.db2.gz ZIUYENIGQKSBER-VXGBXAGGSA-N 1 0 343.428 -1.094 20 0 EAADRO COc1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)nn1C ZINC001200927908 791346206 /nfs/dbraw/zinc/34/62/06/791346206.db2.gz APYOWJNDQILDJX-JTQLQIEISA-N 1 0 325.369 -1.265 20 0 EAADRO COc1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)nn1C ZINC001200927911 791346582 /nfs/dbraw/zinc/34/65/82/791346582.db2.gz APYOWJNDQILDJX-SNVBAGLBSA-N 1 0 325.369 -1.265 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)CCCO1 ZINC001200929507 791348272 /nfs/dbraw/zinc/34/82/72/791348272.db2.gz HXJZOOCTCJVLLK-LLVKDONJSA-N 1 0 339.396 -1.005 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(OC)n(C)n2)CCCO1 ZINC001200929510 791348105 /nfs/dbraw/zinc/34/81/05/791348105.db2.gz HXJZOOCTCJVLLK-NSHDSACASA-N 1 0 339.396 -1.005 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 ZINC001200930030 791348116 /nfs/dbraw/zinc/34/81/16/791348116.db2.gz LDSTYUVFGBPWRD-NEPJUHHUSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 ZINC001200930031 791348286 /nfs/dbraw/zinc/34/82/86/791348286.db2.gz LDSTYUVFGBPWRD-NWDGAFQWSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 ZINC001200930032 791348452 /nfs/dbraw/zinc/34/84/52/791348452.db2.gz LDSTYUVFGBPWRD-RYUDHWBXSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 ZINC001200930034 791348092 /nfs/dbraw/zinc/34/80/92/791348092.db2.gz LDSTYUVFGBPWRD-VXGBXAGGSA-N 1 0 326.397 -1.262 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCCO1 ZINC001200931129 791348201 /nfs/dbraw/zinc/34/82/01/791348201.db2.gz QRPXCCOZOJPFQH-JTQLQIEISA-N 1 0 338.364 -1.055 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCCO1 ZINC001200931154 791348321 /nfs/dbraw/zinc/34/83/21/791348321.db2.gz QRPXCCOZOJPFQH-SNVBAGLBSA-N 1 0 338.364 -1.055 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 ZINC001200931511 791347352 /nfs/dbraw/zinc/34/73/52/791347352.db2.gz VXTROSSTHHUFRJ-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 ZINC001200931512 791347428 /nfs/dbraw/zinc/34/74/28/791347428.db2.gz VXTROSSTHHUFRJ-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 ZINC001200931513 791348315 /nfs/dbraw/zinc/34/83/15/791348315.db2.gz VXTROSSTHHUFRJ-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 ZINC001200931514 791348237 /nfs/dbraw/zinc/34/82/37/791348237.db2.gz VXTROSSTHHUFRJ-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)CCCO1 ZINC001200937381 791347445 /nfs/dbraw/zinc/34/74/45/791347445.db2.gz IAENGUWFZFFMHK-SECBINFHSA-N 1 0 333.352 -1.341 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccnc3n[nH]nc32)CCCO1 ZINC001200937382 791347308 /nfs/dbraw/zinc/34/73/08/791347308.db2.gz IAENGUWFZFFMHK-VIFPVBQESA-N 1 0 333.352 -1.341 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)CCCO1 ZINC001200938030 791347856 /nfs/dbraw/zinc/34/78/56/791347856.db2.gz VFKVVGCHLIGRQV-LLVKDONJSA-N 1 0 337.380 -1.028 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc3n(n2)CCCO3)CCCO1 ZINC001200938032 791347592 /nfs/dbraw/zinc/34/75/92/791347592.db2.gz VFKVVGCHLIGRQV-NSHDSACASA-N 1 0 337.380 -1.028 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccnc3n[nH]nc32)CCCO1 ZINC001200938231 791347567 /nfs/dbraw/zinc/34/75/67/791347567.db2.gz YGCKJCPYKNBPDC-JTQLQIEISA-N 1 0 347.379 -1.080 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)CCCO1 ZINC001200938232 791347831 /nfs/dbraw/zinc/34/78/31/791347831.db2.gz YGCKJCPYKNBPDC-SNVBAGLBSA-N 1 0 347.379 -1.080 20 0 EAADRO COCCn1ccc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)n1 ZINC001200943690 791347534 /nfs/dbraw/zinc/34/75/34/791347534.db2.gz AKLBHKJSHSPEMQ-GFCCVEGCSA-N 1 0 339.396 -1.165 20 0 EAADRO COCCn1ccc(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)n1 ZINC001200943691 791347466 /nfs/dbraw/zinc/34/74/66/791347466.db2.gz AKLBHKJSHSPEMQ-LBPRGKRZSA-N 1 0 339.396 -1.165 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)CCCO1 ZINC001200945020 791347936 /nfs/dbraw/zinc/34/79/36/791347936.db2.gz LLSLBXABBUHEAA-GFCCVEGCSA-N 1 0 336.392 -1.048 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)ccc2=O)CCCO1 ZINC001200945021 791347659 /nfs/dbraw/zinc/34/76/59/791347659.db2.gz LLSLBXABBUHEAA-LBPRGKRZSA-N 1 0 336.392 -1.048 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 ZINC001200955686 791348264 /nfs/dbraw/zinc/34/82/64/791348264.db2.gz QLSIFUPAZAKVTB-LLVKDONJSA-N 1 0 333.352 -1.570 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 ZINC001200955687 791348070 /nfs/dbraw/zinc/34/80/70/791348070.db2.gz QLSIFUPAZAKVTB-NSHDSACASA-N 1 0 333.352 -1.570 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 ZINC001200955742 791348126 /nfs/dbraw/zinc/34/81/26/791348126.db2.gz SDRPVGFJLTWOLF-GFCCVEGCSA-N 1 0 347.379 -1.309 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 ZINC001200955743 791347722 /nfs/dbraw/zinc/34/77/22/791347722.db2.gz SDRPVGFJLTWOLF-LBPRGKRZSA-N 1 0 347.379 -1.309 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1)C(N)=O ZINC001200955784 791348381 /nfs/dbraw/zinc/34/83/81/791348381.db2.gz UCTXHKMWVSYGCT-CMPLNLGQSA-N 1 0 347.379 -1.181 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1)C(N)=O ZINC001200955785 791348050 /nfs/dbraw/zinc/34/80/50/791348050.db2.gz UCTXHKMWVSYGCT-JQWIXIFHSA-N 1 0 347.379 -1.181 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1)C(N)=O ZINC001200955786 791348232 /nfs/dbraw/zinc/34/82/32/791348232.db2.gz UCTXHKMWVSYGCT-PWSUYJOCSA-N 1 0 347.379 -1.181 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1)C(N)=O ZINC001200955787 791348191 /nfs/dbraw/zinc/34/81/91/791348191.db2.gz UCTXHKMWVSYGCT-ZYHUDNBSSA-N 1 0 347.379 -1.181 20 0 EAADRO COc1coc(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)cc1=O ZINC001200966322 791348361 /nfs/dbraw/zinc/34/83/61/791348361.db2.gz LLSSNTUDBWRKNG-JTQLQIEISA-N 1 0 339.348 -1.046 20 0 EAADRO COc1coc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)cc1=O ZINC001200966324 791348245 /nfs/dbraw/zinc/34/82/45/791348245.db2.gz LLSSNTUDBWRKNG-SNVBAGLBSA-N 1 0 339.348 -1.046 20 0 EAADRO COc1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)cc1=O ZINC001200966858 791348442 /nfs/dbraw/zinc/34/84/42/791348442.db2.gz OCPPHWTVXWPVGS-JTQLQIEISA-N 1 0 338.364 -1.311 20 0 EAADRO COc1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)cc1=O ZINC001200966859 791348213 /nfs/dbraw/zinc/34/82/13/791348213.db2.gz OCPPHWTVXWPVGS-SNVBAGLBSA-N 1 0 338.364 -1.311 20 0 EAADRO COCC1(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001200976416 791348301 /nfs/dbraw/zinc/34/83/01/791348301.db2.gz SRMDLUOMBXCINR-LLVKDONJSA-N 1 0 342.396 -1.185 20 0 EAADRO COCC1(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001200976417 791347614 /nfs/dbraw/zinc/34/76/14/791347614.db2.gz SRMDLUOMBXCINR-NSHDSACASA-N 1 0 342.396 -1.185 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200982735 791348280 /nfs/dbraw/zinc/34/82/80/791348280.db2.gz DDWKJZFRLGYQES-CYBMUJFWSA-N 1 0 349.453 -1.389 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200982739 791348466 /nfs/dbraw/zinc/34/84/66/791348466.db2.gz DDWKJZFRLGYQES-ZDUSSCGKSA-N 1 0 349.453 -1.389 20 0 EAADRO Cn1nnc2cc(C(=O)N3CCCO[C@H](C[NH2+]CC(N)=O)C3)cnc21 ZINC001201001276 791347747 /nfs/dbraw/zinc/34/77/47/791347747.db2.gz QSDKPSOOILFANC-LLVKDONJSA-N 1 0 347.379 -1.331 20 0 EAADRO Cn1nnc2cc(C(=O)N3CCCO[C@@H](C[NH2+]CC(N)=O)C3)cnc21 ZINC001201001277 791348152 /nfs/dbraw/zinc/34/81/52/791348152.db2.gz QSDKPSOOILFANC-NSHDSACASA-N 1 0 347.379 -1.331 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)O1 ZINC001201009176 791347184 /nfs/dbraw/zinc/34/71/84/791347184.db2.gz BUECWYLERDTAAH-MCIONIFRSA-N 1 0 343.424 -1.001 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)O1 ZINC001201009177 791348087 /nfs/dbraw/zinc/34/80/87/791348087.db2.gz BUECWYLERDTAAH-RDBSUJKOSA-N 1 0 343.424 -1.001 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 ZINC001201010262 791348333 /nfs/dbraw/zinc/34/83/33/791348333.db2.gz PSPPKIDIYYLWTK-LLVKDONJSA-N 1 0 337.380 -1.653 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340.424 -1.144 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCCO1 ZINC001201051226 791349505 /nfs/dbraw/zinc/34/95/05/791349505.db2.gz NFRMHXDPYNBMAW-LRDDRELGSA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCCO1 ZINC001201051227 791349483 /nfs/dbraw/zinc/34/94/83/791349483.db2.gz NFRMHXDPYNBMAW-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCCO1 ZINC001201051228 791350113 /nfs/dbraw/zinc/35/01/13/791350113.db2.gz NFRMHXDPYNBMAW-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CCCO1 ZINC001201052749 791350078 /nfs/dbraw/zinc/35/00/78/791350078.db2.gz VRVDWDHDGHRAIQ-CYBMUJFWSA-N 1 0 341.412 -1.175 20 0 EAADRO COCC[NH2+]C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CCCO1 ZINC001201052750 791349307 /nfs/dbraw/zinc/34/93/07/791349307.db2.gz VRVDWDHDGHRAIQ-ZDUSSCGKSA-N 1 0 341.412 -1.175 20 0 EAADRO Cn1cnn(CCC(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)c1=O ZINC001201052767 791349474 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Cn1cnn(CCC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)c1=O ZINC001201053138 791351466 /nfs/dbraw/zinc/35/14/66/791351466.db2.gz YBGNDGSWVFYUAC-LLVKDONJSA-N 1 0 340.384 -2.336 20 0 EAADRO Cn1cnn(CCC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)c1=O ZINC001201053142 791351004 /nfs/dbraw/zinc/35/10/04/791351004.db2.gz YBGNDGSWVFYUAC-NSHDSACASA-N 1 0 340.384 -2.336 20 0 EAADRO O=C(c1ccc(-n2cnnn2)cn1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201061863 791348841 /nfs/dbraw/zinc/34/88/41/791348841.db2.gz CFMCOLRNNBIAAC-CYBMUJFWSA-N 1 0 347.379 -1.130 20 0 EAADRO O=C(c1ccc(-n2cnnn2)cn1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201061864 791349663 /nfs/dbraw/zinc/34/96/63/791349663.db2.gz CFMCOLRNNBIAAC-ZDUSSCGKSA-N 1 0 347.379 -1.130 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)CCCO1 ZINC001201063232 791349649 /nfs/dbraw/zinc/34/96/49/791349649.db2.gz RWHLMXQGOPZXHZ-LLVKDONJSA-N 1 0 338.364 -1.055 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)CCCO1 ZINC001201063233 791349826 /nfs/dbraw/zinc/34/98/26/791349826.db2.gz RWHLMXQGOPZXHZ-NSHDSACASA-N 1 0 338.364 -1.055 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201065848 791349518 /nfs/dbraw/zinc/34/95/18/791349518.db2.gz APIFCORSGXSUEJ-UHFFFAOYSA-N 1 0 341.368 -2.379 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201065893 791349685 /nfs/dbraw/zinc/34/96/85/791349685.db2.gz BMMDZYZOGHKTPJ-UHFFFAOYSA-N 1 0 347.437 -1.530 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201065923 791349911 /nfs/dbraw/zinc/34/99/11/791349911.db2.gz CCEUTZPSPFCWCH-LLVKDONJSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201065924 791349640 /nfs/dbraw/zinc/34/96/40/791349640.db2.gz CCEUTZPSPFCWCH-NSHDSACASA-N 1 0 326.397 -1.440 20 0 EAADRO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201065925 791349242 /nfs/dbraw/zinc/34/92/42/791349242.db2.gz CDQHXBRYSHLSTL-UHFFFAOYSA-N 1 0 340.424 -1.048 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201066562 791349493 /nfs/dbraw/zinc/34/94/93/791349493.db2.gz LONXGAQUZJIMFB-UHFFFAOYSA-N 1 0 326.397 -1.438 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201066663 791349848 /nfs/dbraw/zinc/34/98/48/791349848.db2.gz NYQBFVCFRCDPAZ-CYBMUJFWSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201066667 791349606 /nfs/dbraw/zinc/34/96/06/791349606.db2.gz NYQBFVCFRCDPAZ-ZDUSSCGKSA-N 1 0 329.397 -1.567 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1)C(=O)N(C)C ZINC001201066869 791349755 /nfs/dbraw/zinc/34/97/55/791349755.db2.gz RECSTYOQOPMGLA-GFCCVEGCSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1)C(=O)N(C)C ZINC001201066870 791349383 /nfs/dbraw/zinc/34/93/83/791349383.db2.gz RECSTYOQOPMGLA-LBPRGKRZSA-N 1 0 340.424 -1.098 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001201066923 791350059 /nfs/dbraw/zinc/35/00/59/791350059.db2.gz TZUXZCNTYGCZPW-UHFFFAOYSA-N 1 0 329.397 -1.565 20 0 EAADRO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201066956 791349234 /nfs/dbraw/zinc/34/92/34/791349234.db2.gz VENSPCLVWIWPLR-UHFFFAOYSA-N 1 0 340.424 -1.050 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1)NC1CC1 ZINC001201067077 791350188 /nfs/dbraw/zinc/35/01/88/791350188.db2.gz WOHSUNWFNGMKOE-UHFFFAOYSA-N 1 0 338.408 -1.296 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201067153 791349992 /nfs/dbraw/zinc/34/99/92/791349992.db2.gz YLTJGGRFGNZTLD-UHFFFAOYSA-N 1 0 326.397 -1.486 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201070548 791349598 /nfs/dbraw/zinc/34/95/98/791349598.db2.gz BUJAQNQOAHWCKZ-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC001201070601 791349173 /nfs/dbraw/zinc/34/91/73/791349173.db2.gz DTRXZPWOPATXCG-UHFFFAOYSA-N 1 0 346.351 -1.258 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001201070839 791349555 /nfs/dbraw/zinc/34/95/55/791349555.db2.gz JHYQDVACQCRVGS-UHFFFAOYSA-N 1 0 336.352 -1.335 20 0 EAADRO CCC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)S(N)(=O)=O ZINC001201070985 791349760 /nfs/dbraw/zinc/34/97/60/791349760.db2.gz BFNNFTQXVPNLIE-NEPJUHHUSA-N 1 0 337.442 -1.357 20 0 EAADRO CCC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)S(N)(=O)=O ZINC001201070986 791349978 /nfs/dbraw/zinc/34/99/78/791349978.db2.gz BFNNFTQXVPNLIE-NWDGAFQWSA-N 1 0 337.442 -1.357 20 0 EAADRO CCC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)S(N)(=O)=O ZINC001201070987 791349586 /nfs/dbraw/zinc/34/95/86/791349586.db2.gz BFNNFTQXVPNLIE-RYUDHWBXSA-N 1 0 337.442 -1.357 20 0 EAADRO CCC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)S(N)(=O)=O ZINC001201070988 791349447 /nfs/dbraw/zinc/34/94/47/791349447.db2.gz BFNNFTQXVPNLIE-VXGBXAGGSA-N 1 0 337.442 -1.357 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001201078437 791351581 /nfs/dbraw/zinc/35/15/81/791351581.db2.gz ACOABBFHYQIKRA-NEPJUHHUSA-N 1 0 347.437 -1.354 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)CCCO1 ZINC001201078441 791350970 /nfs/dbraw/zinc/35/09/70/791350970.db2.gz ACOABBFHYQIKRA-NWDGAFQWSA-N 1 0 347.437 -1.354 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001201078442 791351588 /nfs/dbraw/zinc/35/15/88/791351588.db2.gz ACOABBFHYQIKRA-RYUDHWBXSA-N 1 0 347.437 -1.354 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)CCCO1 ZINC001201078444 791350985 /nfs/dbraw/zinc/35/09/85/791350985.db2.gz ACOABBFHYQIKRA-VXGBXAGGSA-N 1 0 347.437 -1.354 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(C)C)C1 ZINC001201079017 791350810 /nfs/dbraw/zinc/35/08/10/791350810.db2.gz DALSQYYUZJLGRM-GFCCVEGCSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(C)C)C1 ZINC001201079018 791351594 /nfs/dbraw/zinc/35/15/94/791351594.db2.gz DALSQYYUZJLGRM-LBPRGKRZSA-N 1 0 336.458 -1.097 20 0 EAADRO CO[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)c1cnn(C)c1 ZINC001201079047 791351369 /nfs/dbraw/zinc/35/13/69/791351369.db2.gz DMTGZDDEVJASPR-GXTWGEPZSA-N 1 0 339.396 -1.200 20 0 EAADRO CO[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)c1cnn(C)c1 ZINC001201079048 791351513 /nfs/dbraw/zinc/35/15/13/791351513.db2.gz DMTGZDDEVJASPR-JSGCOSHPSA-N 1 0 339.396 -1.200 20 0 EAADRO CO[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)c1cnn(C)c1 ZINC001201079049 791351310 /nfs/dbraw/zinc/35/13/10/791351310.db2.gz DMTGZDDEVJASPR-OCCSQVGLSA-N 1 0 339.396 -1.200 20 0 EAADRO CO[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)c1cnn(C)c1 ZINC001201079050 791351399 /nfs/dbraw/zinc/35/13/99/791351399.db2.gz DMTGZDDEVJASPR-TZMCWYRMSA-N 1 0 339.396 -1.200 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCOC)C1 ZINC001201079051 791351196 /nfs/dbraw/zinc/35/11/96/791351196.db2.gz DPGLVDOSOOILMM-LLVKDONJSA-N 1 0 338.430 -2.106 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1 ZINC001201079052 791351664 /nfs/dbraw/zinc/35/16/64/791351664.db2.gz DPGLVDOSOOILMM-NSHDSACASA-N 1 0 338.430 -2.106 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCCF)C1 ZINC001201079063 791351436 /nfs/dbraw/zinc/35/14/36/791351436.db2.gz DWROBDKYJKCNKU-LLVKDONJSA-N 1 0 340.421 -1.393 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1 ZINC001201079064 791351567 /nfs/dbraw/zinc/35/15/67/791351567.db2.gz DWROBDKYJKCNKU-NSHDSACASA-N 1 0 340.421 -1.393 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001201079338 791350762 /nfs/dbraw/zinc/35/07/62/791350762.db2.gz IEWLXMOBFJJZCG-GFCCVEGCSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001201079344 791351142 /nfs/dbraw/zinc/35/11/42/791351142.db2.gz IEWLXMOBFJJZCG-LBPRGKRZSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001201079942 791351649 /nfs/dbraw/zinc/35/16/49/791351649.db2.gz LWBJKAOUGAGOSZ-GHMZBOCLSA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001201079943 791350863 /nfs/dbraw/zinc/35/08/63/791350863.db2.gz LWBJKAOUGAGOSZ-MNOVXSKESA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001201079944 791351486 /nfs/dbraw/zinc/35/14/86/791351486.db2.gz LWBJKAOUGAGOSZ-QWRGUYRKSA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001201079945 791351106 /nfs/dbraw/zinc/35/11/06/791351106.db2.gz LWBJKAOUGAGOSZ-WDEREUQCSA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201080007 791350739 /nfs/dbraw/zinc/35/07/39/791350739.db2.gz MQNLNTWCMBXMKO-SECBINFHSA-N 1 0 337.402 -3.267 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201080011 791350880 /nfs/dbraw/zinc/35/08/80/791350880.db2.gz MQNLNTWCMBXMKO-VIFPVBQESA-N 1 0 337.402 -3.267 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001201080336 791350720 /nfs/dbraw/zinc/35/07/20/791350720.db2.gz OFGWQUOWUHLIFF-JTQLQIEISA-N 1 0 326.394 -1.783 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001201080345 791350781 /nfs/dbraw/zinc/35/07/81/791350781.db2.gz OFGWQUOWUHLIFF-SNVBAGLBSA-N 1 0 326.394 -1.783 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)CCCO1 ZINC001201080418 791350701 /nfs/dbraw/zinc/35/07/01/791350701.db2.gz PAWHGCZRGAKEQG-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)CCCO1 ZINC001201080419 791350956 /nfs/dbraw/zinc/35/09/56/791350956.db2.gz PAWHGCZRGAKEQG-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CCCO1 ZINC001201080420 791351091 /nfs/dbraw/zinc/35/10/91/791351091.db2.gz PAWHGCZRGAKEQG-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CCCO1 ZINC001201080422 791351213 /nfs/dbraw/zinc/35/12/13/791351213.db2.gz PAWHGCZRGAKEQG-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201080619 791351575 /nfs/dbraw/zinc/35/15/75/791351575.db2.gz PYIXQIPQQYIHNT-LLVKDONJSA-N 1 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EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1)C(=O)NC(N)=O ZINC001201111700 791350617 /nfs/dbraw/zinc/35/06/17/791350617.db2.gz QUKQJGYURDLNEU-SCVCMEIPSA-N 1 0 342.396 -1.046 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201111996 791351131 /nfs/dbraw/zinc/35/11/31/791351131.db2.gz GNGWJFWJCXMIFL-CYBMUJFWSA-N 1 0 349.391 -1.305 20 0 EAADRO O=C(Cn1nc2ccccn2c1=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201111997 791351548 /nfs/dbraw/zinc/35/15/48/791351548.db2.gz GNGWJFWJCXMIFL-ZDUSSCGKSA-N 1 0 349.391 -1.305 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201113115 791351607 /nfs/dbraw/zinc/35/16/07/791351607.db2.gz VTYHAGQGYGWEQU-LLVKDONJSA-N 1 0 345.425 -1.022 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201113116 791350649 /nfs/dbraw/zinc/35/06/49/791350649.db2.gz VTYHAGQGYGWEQU-NSHDSACASA-N 1 0 345.425 -1.022 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201113213 791351224 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Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)n1 ZINC001201186656 791357326 /nfs/dbraw/zinc/35/73/26/791357326.db2.gz KLOGWEITTYGHHF-NSHDSACASA-N 1 0 337.384 -1.691 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 ZINC001201187068 791357021 /nfs/dbraw/zinc/35/70/21/791357021.db2.gz MXSGODBOCJLHCP-IHRRRGAJSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 ZINC001201187070 791356697 /nfs/dbraw/zinc/35/66/97/791356697.db2.gz MXSGODBOCJLHCP-MCIONIFRSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 ZINC001201187074 791357492 /nfs/dbraw/zinc/35/74/92/791357492.db2.gz MXSGODBOCJLHCP-MJBXVCDLSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 ZINC001201187078 791357609 /nfs/dbraw/zinc/35/76/09/791357609.db2.gz MXSGODBOCJLHCP-RDBSUJKOSA-N 1 0 343.424 -1.178 20 0 EAADRO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)n1 ZINC001201187215 791356948 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CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201187755 791357472 /nfs/dbraw/zinc/35/74/72/791357472.db2.gz RWAHGXKNBQBACL-VHSXEESVSA-N 1 0 325.373 -1.835 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201187756 791357896 /nfs/dbraw/zinc/35/78/96/791357896.db2.gz RWAHGXKNBQBACL-ZJUUUORDSA-N 1 0 325.373 -1.835 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201187828 791357051 /nfs/dbraw/zinc/35/70/51/791357051.db2.gz TXABPGLVXVUGPR-GHMZBOCLSA-N 1 0 328.373 -1.962 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201187830 791356940 /nfs/dbraw/zinc/35/69/40/791356940.db2.gz TXABPGLVXVUGPR-MNOVXSKESA-N 1 0 328.373 -1.962 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201187831 791357880 /nfs/dbraw/zinc/35/78/80/791357880.db2.gz TXABPGLVXVUGPR-QWRGUYRKSA-N 1 0 328.373 -1.962 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201187832 791357303 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Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)n1 ZINC001201188081 791357200 /nfs/dbraw/zinc/35/72/00/791357200.db2.gz WKCFVPMDXHSLCZ-NSHDSACASA-N 1 0 337.384 -1.737 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201188212 791357599 /nfs/dbraw/zinc/35/75/99/791357599.db2.gz ZCXCCMHJAYKYML-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201188213 791357270 /nfs/dbraw/zinc/35/72/70/791357270.db2.gz ZCXCCMHJAYKYML-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 ZINC001201188244 791357522 /nfs/dbraw/zinc/35/75/22/791357522.db2.gz ZWCSRNPZFIHPER-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 ZINC001201188245 791357184 /nfs/dbraw/zinc/35/71/84/791357184.db2.gz ZWCSRNPZFIHPER-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001201190501 791357566 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-1.050 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)c2cnc[nH]c2=O)CC1)C(=O)NC(N)=O ZINC001201198223 791357402 /nfs/dbraw/zinc/35/74/02/791357402.db2.gz YBCXRWICDZNITH-MRVPVSSYSA-N 1 0 336.352 -1.040 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)c2cnc[nH]c2=O)CC1)C(=O)NC(N)=O ZINC001201198224 791357108 /nfs/dbraw/zinc/35/71/08/791357108.db2.gz YBCXRWICDZNITH-QMMMGPOBSA-N 1 0 336.352 -1.040 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001201198276 791357098 /nfs/dbraw/zinc/35/70/98/791357098.db2.gz ZXEWCPLJIXKJNB-UHFFFAOYSA-N 1 0 343.409 -1.074 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 ZINC001201204483 791357090 /nfs/dbraw/zinc/35/70/90/791357090.db2.gz KVZLVQCLKVBZGR-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 ZINC001201204484 791356637 /nfs/dbraw/zinc/35/66/37/791356637.db2.gz KVZLVQCLKVBZGR-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 ZINC001201204485 791357483 /nfs/dbraw/zinc/35/74/83/791357483.db2.gz KVZLVQCLKVBZGR-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 ZINC001201204486 791356964 /nfs/dbraw/zinc/35/69/64/791356964.db2.gz KVZLVQCLKVBZGR-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CN1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1=O ZINC001201204523 791356579 /nfs/dbraw/zinc/35/65/79/791356579.db2.gz LRNXSJWCJUDPTH-KBPBESRZSA-N 1 0 343.424 -1.319 20 0 EAADRO CN1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1=O ZINC001201204524 791357508 /nfs/dbraw/zinc/35/75/08/791357508.db2.gz LRNXSJWCJUDPTH-KGLIPLIRSA-N 1 0 343.424 -1.319 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1=O ZINC001201204525 791357248 /nfs/dbraw/zinc/35/72/48/791357248.db2.gz LRNXSJWCJUDPTH-UONOGXRCSA-N 1 0 343.424 -1.319 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1=O ZINC001201204526 791357911 /nfs/dbraw/zinc/35/79/11/791357911.db2.gz LRNXSJWCJUDPTH-ZIAGYGMSSA-N 1 0 343.424 -1.319 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCO1 ZINC001201204802 791357127 /nfs/dbraw/zinc/35/71/27/791357127.db2.gz MGIXBPCNNXNUAY-DCQANWLSSA-N 1 0 340.380 -1.719 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCO1 ZINC001201204808 791357384 /nfs/dbraw/zinc/35/73/84/791357384.db2.gz MGIXBPCNNXNUAY-MEWQQHAOSA-N 1 0 340.380 -1.719 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 ZINC001201205179 791357542 /nfs/dbraw/zinc/35/75/42/791357542.db2.gz OMZPYZWTIFBBCF-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 ZINC001201205182 791357256 /nfs/dbraw/zinc/35/72/56/791357256.db2.gz OMZPYZWTIFBBCF-OLZOCXBDSA-N 1 0 340.424 -1.240 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 ZINC001201205185 791357847 /nfs/dbraw/zinc/35/78/47/791357847.db2.gz OMZPYZWTIFBBCF-QWHCGFSZSA-N 1 0 340.424 -1.240 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 ZINC001201205186 791356654 /nfs/dbraw/zinc/35/66/54/791356654.db2.gz OMZPYZWTIFBBCF-STQMWFEESA-N 1 0 340.424 -1.240 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 ZINC001201205626 791356885 /nfs/dbraw/zinc/35/68/85/791356885.db2.gz QMHYHVJEGNUYCB-NEPJUHHUSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 ZINC001201205627 791357495 /nfs/dbraw/zinc/35/74/95/791357495.db2.gz QMHYHVJEGNUYCB-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 ZINC001201205628 791357640 /nfs/dbraw/zinc/35/76/40/791357640.db2.gz QMHYHVJEGNUYCB-RYUDHWBXSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 ZINC001201205630 791357416 /nfs/dbraw/zinc/35/74/16/791357416.db2.gz QMHYHVJEGNUYCB-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCCO1 ZINC001201225015 791359205 /nfs/dbraw/zinc/35/92/05/791359205.db2.gz BYXCVZXNOKOHDE-BLLLJJGKSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCCO1 ZINC001201225018 791359276 /nfs/dbraw/zinc/35/92/76/791359276.db2.gz BYXCVZXNOKOHDE-LRDDRELGSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCCO1 ZINC001201225019 791358954 /nfs/dbraw/zinc/35/89/54/791358954.db2.gz BYXCVZXNOKOHDE-MLGOLLRUSA-N 1 0 340.424 -1.144 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCCO1 ZINC001201225020 791358835 /nfs/dbraw/zinc/35/88/35/791358835.db2.gz BYXCVZXNOKOHDE-WBMJQRKESA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@]1(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CCC(=O)NC1 ZINC001201225902 791358276 /nfs/dbraw/zinc/35/82/76/791358276.db2.gz QRVHQYPQZDDYMT-ABAIWWIYSA-N 1 0 326.397 -1.405 20 0 EAADRO C[C@@]1(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CCC(=O)NC1 ZINC001201225903 791358505 /nfs/dbraw/zinc/35/85/05/791358505.db2.gz QRVHQYPQZDDYMT-IAQYHMDHSA-N 1 0 326.397 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791359213 /nfs/dbraw/zinc/35/92/13/791359213.db2.gz BEEKZHKOSJDGHY-HZMBPMFUSA-N 1 0 346.359 -1.483 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@]2(F)CCOC2)CCCO1 ZINC001201238663 791359486 /nfs/dbraw/zinc/35/94/86/791359486.db2.gz BEEKZHKOSJDGHY-IINYFYTJSA-N 1 0 346.359 -1.483 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)CCCO1 ZINC001201238665 791359159 /nfs/dbraw/zinc/35/91/59/791359159.db2.gz BEEKZHKOSJDGHY-QMTHXVAHSA-N 1 0 346.359 -1.483 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)CCCO1 ZINC001201238667 791358249 /nfs/dbraw/zinc/35/82/49/791358249.db2.gz BEEKZHKOSJDGHY-YGRLFVJLSA-N 1 0 346.359 -1.483 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201238806 791359549 /nfs/dbraw/zinc/35/95/49/791359549.db2.gz BWRCCXSOHREOQX-NWDGAFQWSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201238807 791359418 /nfs/dbraw/zinc/35/94/18/791359418.db2.gz BWRCCXSOHREOQX-VXGBXAGGSA-N 1 0 326.397 -1.440 20 0 EAADRO C[C@]1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCNC(=O)C1 ZINC001201239324 791358875 /nfs/dbraw/zinc/35/88/75/791358875.db2.gz JBXZBLHQIKGWTL-HNNXBMFYSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@@]1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCNC(=O)C1 ZINC001201239325 791358770 /nfs/dbraw/zinc/35/87/70/791358770.db2.gz JBXZBLHQIKGWTL-OAHLLOKOSA-N 1 0 339.396 -1.322 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201240237 791359258 /nfs/dbraw/zinc/35/92/58/791359258.db2.gz MXSGODBOCJLHCP-BFHYXJOUSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201240239 791359223 /nfs/dbraw/zinc/35/92/23/791359223.db2.gz MXSGODBOCJLHCP-HZSPNIEDSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201240240 791358945 /nfs/dbraw/zinc/35/89/45/791358945.db2.gz MXSGODBOCJLHCP-MELADBBJSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201240242 791358310 /nfs/dbraw/zinc/35/83/10/791358310.db2.gz MXSGODBOCJLHCP-MGPQQGTHSA-N 1 0 343.424 -1.178 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201240705 791359035 /nfs/dbraw/zinc/35/90/35/791359035.db2.gz RTEOPLDYFDQRBZ-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201240706 791358903 /nfs/dbraw/zinc/35/89/03/791358903.db2.gz RTEOPLDYFDQRBZ-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201241394 791359317 /nfs/dbraw/zinc/35/93/17/791359317.db2.gz ZCXCCMHJAYKYML-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201241395 791359564 /nfs/dbraw/zinc/35/95/64/791359564.db2.gz ZCXCCMHJAYKYML-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 ZINC001201241424 791359602 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EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CCCO1 ZINC001201252779 791358969 /nfs/dbraw/zinc/35/89/69/791358969.db2.gz QFRODZCCWQBJEC-VIFPVBQESA-N 1 0 348.363 -1.031 20 0 EAADRO Cn1cc(OCC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)cn1 ZINC001201253144 791359286 /nfs/dbraw/zinc/35/92/86/791359286.db2.gz UYQCZQIEWNXISJ-LLVKDONJSA-N 1 0 325.369 -1.509 20 0 EAADRO Cn1cc(OCC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)cn1 ZINC001201253147 791359530 /nfs/dbraw/zinc/35/95/30/791359530.db2.gz UYQCZQIEWNXISJ-NSHDSACASA-N 1 0 325.369 -1.509 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)CCCO1 ZINC001201260237 791360641 /nfs/dbraw/zinc/36/06/41/791360641.db2.gz HQMJGOLOBYTYBS-GHMZBOCLSA-N 1 0 336.396 -1.083 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCCO1 ZINC001201260244 791360922 /nfs/dbraw/zinc/36/09/22/791360922.db2.gz HQMJGOLOBYTYBS-MNOVXSKESA-N 1 0 336.396 -1.083 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCCO1 ZINC001201260245 791361083 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EAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1)N1CCC1 ZINC001201261976 791359935 /nfs/dbraw/zinc/35/99/35/791359935.db2.gz QWPFSWYJLNPNSO-GFCCVEGCSA-N 1 0 349.391 -1.177 20 0 EAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1)N1CCC1 ZINC001201262000 791360706 /nfs/dbraw/zinc/36/07/06/791360706.db2.gz QWPFSWYJLNPNSO-LBPRGKRZSA-N 1 0 349.391 -1.177 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201262066 791360472 /nfs/dbraw/zinc/36/04/72/791360472.db2.gz SOUZEMBIUQXCMI-GFCCVEGCSA-N 1 0 347.379 -1.118 20 0 EAADRO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201262067 791360686 /nfs/dbraw/zinc/36/06/86/791360686.db2.gz SOUZEMBIUQXCMI-LBPRGKRZSA-N 1 0 347.379 -1.118 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1)C(N)=O ZINC001201262969 791360411 /nfs/dbraw/zinc/36/04/11/791360411.db2.gz WNRFOYCYRKEGTP-GHMZBOCLSA-N 1 0 337.380 -1.146 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1)C(N)=O ZINC001201262970 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XTFWVKHJJCBNQG-GHMZBOCLSA-N 1 0 337.380 -1.275 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263087 791360676 /nfs/dbraw/zinc/36/06/76/791360676.db2.gz XTFWVKHJJCBNQG-MNOVXSKESA-N 1 0 337.380 -1.275 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263088 791360482 /nfs/dbraw/zinc/36/04/82/791360482.db2.gz XTFWVKHJJCBNQG-QWRGUYRKSA-N 1 0 337.380 -1.275 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263091 791360337 /nfs/dbraw/zinc/36/03/37/791360337.db2.gz XTFWVKHJJCBNQG-WDEREUQCSA-N 1 0 337.380 -1.275 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263303 791360212 /nfs/dbraw/zinc/36/02/12/791360212.db2.gz YRSGSAFFLCCZCR-NEPJUHHUSA-N 1 0 340.380 -1.402 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263306 791360786 /nfs/dbraw/zinc/36/07/86/791360786.db2.gz YRSGSAFFLCCZCR-NWDGAFQWSA-N 1 0 340.380 -1.402 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263307 791360671 /nfs/dbraw/zinc/36/06/71/791360671.db2.gz YRSGSAFFLCCZCR-RYUDHWBXSA-N 1 0 340.380 -1.402 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263308 791360937 /nfs/dbraw/zinc/36/09/37/791360937.db2.gz YRSGSAFFLCCZCR-VXGBXAGGSA-N 1 0 340.380 -1.402 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263394 791360720 /nfs/dbraw/zinc/36/07/20/791360720.db2.gz ZSZWZYVNJUDICM-LLVKDONJSA-N 1 0 337.380 -1.321 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 ZINC001201263397 791360278 /nfs/dbraw/zinc/36/02/78/791360278.db2.gz ZSZWZYVNJUDICM-NSHDSACASA-N 1 0 337.380 -1.321 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201268246 791360140 /nfs/dbraw/zinc/36/01/40/791360140.db2.gz COSWHBZLSQKRRO-GHMZBOCLSA-N 1 0 348.425 -2.081 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201268270 791360571 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EAADRO COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269106 791362295 /nfs/dbraw/zinc/36/22/95/791362295.db2.gz KPXIDTWCEUEFSK-STQMWFEESA-N 1 0 344.412 -1.462 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201269191 791362453 /nfs/dbraw/zinc/36/24/53/791362453.db2.gz LHGGROJUQIVOOU-NEPJUHHUSA-N 1 0 337.384 -1.833 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201269194 791362309 /nfs/dbraw/zinc/36/23/09/791362309.db2.gz LHGGROJUQIVOOU-NWDGAFQWSA-N 1 0 337.384 -1.833 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201269195 791362378 /nfs/dbraw/zinc/36/23/78/791362378.db2.gz LHGGROJUQIVOOU-RYUDHWBXSA-N 1 0 337.384 -1.833 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201269197 791362275 /nfs/dbraw/zinc/36/22/75/791362275.db2.gz LHGGROJUQIVOOU-VXGBXAGGSA-N 1 0 337.384 -1.833 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269495 791361752 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791362483 /nfs/dbraw/zinc/36/24/83/791362483.db2.gz SCPHXXZOQQPROA-STQMWFEESA-N 1 0 336.396 -1.228 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1)N1CCC1 ZINC001201269795 791362354 /nfs/dbraw/zinc/36/23/54/791362354.db2.gz SLUVZNJLPYBDFR-NEPJUHHUSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1)N1CCC1 ZINC001201269804 791362316 /nfs/dbraw/zinc/36/23/16/791362316.db2.gz SLUVZNJLPYBDFR-NWDGAFQWSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1)N1CCC1 ZINC001201269806 791361590 /nfs/dbraw/zinc/36/15/90/791361590.db2.gz SLUVZNJLPYBDFR-RYUDHWBXSA-N 1 0 339.396 -1.893 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1)N1CCC1 ZINC001201269808 791362608 /nfs/dbraw/zinc/36/26/08/791362608.db2.gz SLUVZNJLPYBDFR-VXGBXAGGSA-N 1 0 339.396 -1.893 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269838 791361864 /nfs/dbraw/zinc/36/18/64/791361864.db2.gz STVSLABFOMNHPC-BDAKNGLRSA-N 1 0 342.356 -2.930 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269839 791362587 /nfs/dbraw/zinc/36/25/87/791362587.db2.gz STVSLABFOMNHPC-DTWKUNHWSA-N 1 0 342.356 -2.930 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269840 791362689 /nfs/dbraw/zinc/36/26/89/791362689.db2.gz STVSLABFOMNHPC-IUCAKERBSA-N 1 0 342.356 -2.930 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269841 791361999 /nfs/dbraw/zinc/36/19/99/791361999.db2.gz STVSLABFOMNHPC-RKDXNWHRSA-N 1 0 342.356 -2.930 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269876 791361734 /nfs/dbraw/zinc/36/17/34/791361734.db2.gz UXSFQGBFMRKRLO-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269877 791361929 /nfs/dbraw/zinc/36/19/29/791361929.db2.gz UXSFQGBFMRKRLO-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269878 791362075 /nfs/dbraw/zinc/36/20/75/791362075.db2.gz UXSFQGBFMRKRLO-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269879 791361635 /nfs/dbraw/zinc/36/16/35/791361635.db2.gz UXSFQGBFMRKRLO-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269918 791362645 /nfs/dbraw/zinc/36/26/45/791362645.db2.gz VMAPIKBPPXXPSV-NEPJUHHUSA-N 1 0 341.412 -1.599 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269919 791361898 /nfs/dbraw/zinc/36/18/98/791361898.db2.gz VMAPIKBPPXXPSV-NWDGAFQWSA-N 1 0 341.412 -1.599 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269920 791362632 /nfs/dbraw/zinc/36/26/32/791362632.db2.gz VMAPIKBPPXXPSV-RYUDHWBXSA-N 1 0 341.412 -1.599 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269921 791361779 /nfs/dbraw/zinc/36/17/79/791361779.db2.gz VMAPIKBPPXXPSV-VXGBXAGGSA-N 1 0 341.412 -1.599 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269940 791361602 /nfs/dbraw/zinc/36/16/02/791361602.db2.gz WHTFBXPEGPQENY-GHMZBOCLSA-N 1 0 327.385 -1.989 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269941 791362566 /nfs/dbraw/zinc/36/25/66/791362566.db2.gz WHTFBXPEGPQENY-MNOVXSKESA-N 1 0 327.385 -1.989 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269942 791361878 /nfs/dbraw/zinc/36/18/78/791361878.db2.gz WHTFBXPEGPQENY-QWRGUYRKSA-N 1 0 327.385 -1.989 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269943 791362656 /nfs/dbraw/zinc/36/26/56/791362656.db2.gz WHTFBXPEGPQENY-WDEREUQCSA-N 1 0 327.385 -1.989 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201270125 791362707 /nfs/dbraw/zinc/36/27/07/791362707.db2.gz YEYROUOVSPADQR-NEPJUHHUSA-N 1 0 341.412 -1.601 20 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EAADRO NS(=O)(=O)CCCC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201276067 791362667 /nfs/dbraw/zinc/36/26/67/791362667.db2.gz CUAOTACNTSYZET-GFCCVEGCSA-N 1 0 337.442 -1.355 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201276068 791362059 /nfs/dbraw/zinc/36/20/59/791362059.db2.gz CUAOTACNTSYZET-LBPRGKRZSA-N 1 0 337.442 -1.355 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CCCO1 ZINC001201276698 791362129 /nfs/dbraw/zinc/36/21/29/791362129.db2.gz KDMUOPLCQZHHSB-NEPJUHHUSA-N 1 0 337.442 -1.357 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CCCO1 ZINC001201276699 791361721 /nfs/dbraw/zinc/36/17/21/791361721.db2.gz KDMUOPLCQZHHSB-NWDGAFQWSA-N 1 0 337.442 -1.357 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CCCO1 ZINC001201276700 791362720 /nfs/dbraw/zinc/36/27/20/791362720.db2.gz KDMUOPLCQZHHSB-RYUDHWBXSA-N 1 0 337.442 -1.357 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CCCO1 ZINC001201276701 791362306 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C[C@H]([NH2+]C1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1)C(=O)NC(N)=O ZINC001201280130 791359501 /nfs/dbraw/zinc/35/95/01/791359501.db2.gz MEIRXTUNTDJWTQ-IUCAKERBSA-N 1 0 348.425 -1.417 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1)C(=O)NC(N)=O ZINC001201280132 791359228 /nfs/dbraw/zinc/35/92/28/791359228.db2.gz MEIRXTUNTDJWTQ-RKDXNWHRSA-N 1 0 348.425 -1.417 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CCN(C(=O)CCS(C)(=O)=O)CC2)nc1=O ZINC001201280310 791359246 /nfs/dbraw/zinc/35/92/46/791359246.db2.gz QOPRDNBBUIYHDO-UHFFFAOYSA-N 1 0 345.425 -1.376 20 0 EAADRO NC(=O)C1(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001201283783 791358548 /nfs/dbraw/zinc/35/85/48/791358548.db2.gz KVOXOPAVWCONEP-GFCCVEGCSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C1(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001201283785 791359000 /nfs/dbraw/zinc/35/90/00/791359000.db2.gz KVOXOPAVWCONEP-LBPRGKRZSA-N 1 0 338.408 -1.309 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCCO1 ZINC001201284182 791359232 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EAADRO CCN(C(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1)C1CC1 ZINC001201292936 791360364 /nfs/dbraw/zinc/36/03/64/791360364.db2.gz JCTFFCPIOCAPRP-LBPRGKRZSA-N 1 0 326.397 -1.310 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001201292948 791360582 /nfs/dbraw/zinc/36/05/82/791360582.db2.gz ACMLFFHFBAVKSU-UHFFFAOYSA-N 1 0 327.385 -2.435 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001201293005 791360698 /nfs/dbraw/zinc/36/06/98/791360698.db2.gz BCADTZPHAPZORX-UHFFFAOYSA-N 1 0 341.412 -2.093 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CCS(C)(=O)=O)CC1)C(=O)NC(N)=O ZINC001201293029 791360743 /nfs/dbraw/zinc/36/07/43/791360743.db2.gz BORRJHWRFZSIGH-SECBINFHSA-N 1 0 348.425 -1.415 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CCS(C)(=O)=O)CC1)C(=O)NC(N)=O ZINC001201293030 791360691 /nfs/dbraw/zinc/36/06/91/791360691.db2.gz BORRJHWRFZSIGH-VIFPVBQESA-N 1 0 348.425 -1.415 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001201293286 791359092 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EAADRO O=C(c1nc[nH]n1)N1CCCO[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001201678597 791378071 /nfs/dbraw/zinc/37/80/71/791378071.db2.gz MEZLWPAGHULPDR-STQMWFEESA-N 1 0 349.395 -1.117 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccncn2)CCCO1 ZINC001201678797 791378653 /nfs/dbraw/zinc/37/86/53/791378653.db2.gz PBVMVYAVCHZHFW-JTQLQIEISA-N 1 0 336.352 -1.508 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccncn2)CCCO1 ZINC001201678798 791377520 /nfs/dbraw/zinc/37/75/20/791377520.db2.gz PBVMVYAVCHZHFW-SNVBAGLBSA-N 1 0 336.352 -1.508 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201687936 791381648 /nfs/dbraw/zinc/38/16/48/791381648.db2.gz KXJDHUGVQZDVBD-JTQLQIEISA-N 1 0 332.382 -1.065 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201687939 791381024 /nfs/dbraw/zinc/38/10/24/791381024.db2.gz KXJDHUGVQZDVBD-SNVBAGLBSA-N 1 0 332.382 -1.065 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201688285 791382023 /nfs/dbraw/zinc/38/20/23/791382023.db2.gz OQJWWNQQIXOECX-JTQLQIEISA-N 1 0 347.397 -1.561 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201688287 791381123 /nfs/dbraw/zinc/38/11/23/791381123.db2.gz OQJWWNQQIXOECX-SNVBAGLBSA-N 1 0 347.397 -1.561 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cnon2)CCCO1)C(=O)NC(N)=O ZINC001201688514 791381433 /nfs/dbraw/zinc/38/14/33/791381433.db2.gz QOSDXSWHQJSMKD-BDAKNGLRSA-N 1 0 340.340 -1.526 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCCO1)C(=O)NC(N)=O ZINC001201688527 791381234 /nfs/dbraw/zinc/38/12/34/791381234.db2.gz QOSDXSWHQJSMKD-DTWKUNHWSA-N 1 0 340.340 -1.526 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cnon2)CCCO1)C(=O)NC(N)=O ZINC001201688529 791382270 /nfs/dbraw/zinc/38/22/70/791382270.db2.gz QOSDXSWHQJSMKD-IUCAKERBSA-N 1 0 340.340 -1.526 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCCO1)C(=O)NC(N)=O ZINC001201688531 791381211 /nfs/dbraw/zinc/38/12/11/791381211.db2.gz QOSDXSWHQJSMKD-RKDXNWHRSA-N 1 0 340.340 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/nfs/dbraw/zinc/38/21/92/791382192.db2.gz XSGRQWVXSSDIAE-VIFPVBQESA-N 1 0 340.340 -1.654 20 0 EAADRO Cn1cc(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)ncc1=O ZINC001201694515 791380978 /nfs/dbraw/zinc/38/09/78/791380978.db2.gz SEQBQXDSBXRQSO-UHFFFAOYSA-N 1 0 336.352 -1.831 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1)C(N)=O ZINC001201695060 791379135 /nfs/dbraw/zinc/37/91/35/791379135.db2.gz JWKDLTALBITRGE-GHMZBOCLSA-N 1 0 347.379 -1.181 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1)C(N)=O ZINC001201695064 791380102 /nfs/dbraw/zinc/38/01/02/791380102.db2.gz JWKDLTALBITRGE-MNOVXSKESA-N 1 0 347.379 -1.181 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1)C(N)=O ZINC001201695066 791380409 /nfs/dbraw/zinc/38/04/09/791380409.db2.gz JWKDLTALBITRGE-QWRGUYRKSA-N 1 0 347.379 -1.181 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1)C(N)=O ZINC001201695068 791379962 /nfs/dbraw/zinc/37/99/62/791379962.db2.gz JWKDLTALBITRGE-WDEREUQCSA-N 1 0 347.379 -1.181 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ncccn2)CCCO1 ZINC001201695093 791380059 /nfs/dbraw/zinc/38/00/59/791380059.db2.gz KPKXBQYRRAZETJ-JTQLQIEISA-N 1 0 336.352 -1.508 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncccn2)CCCO1 ZINC001201695094 791380507 /nfs/dbraw/zinc/38/05/07/791380507.db2.gz KPKXBQYRRAZETJ-SNVBAGLBSA-N 1 0 336.352 -1.508 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 ZINC001201696301 791379543 /nfs/dbraw/zinc/37/95/43/791379543.db2.gz XIMDNOASEMNOAJ-JTQLQIEISA-N 1 0 333.352 -1.570 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 ZINC001201696302 791380172 /nfs/dbraw/zinc/38/01/72/791380172.db2.gz XIMDNOASEMNOAJ-SNVBAGLBSA-N 1 0 333.352 -1.570 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 ZINC001201696599 791380244 /nfs/dbraw/zinc/38/02/44/791380244.db2.gz ZIUUMJDOOZVFSQ-LLVKDONJSA-N 1 0 347.379 -1.309 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 ZINC001201696600 791380532 /nfs/dbraw/zinc/38/05/32/791380532.db2.gz ZIUUMJDOOZVFSQ-NSHDSACASA-N 1 0 347.379 -1.309 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cccnn2)CCCO1 ZINC001201701400 791379637 /nfs/dbraw/zinc/37/96/37/791379637.db2.gz GHQFWQBZUCBFMQ-JTQLQIEISA-N 1 0 336.352 -1.508 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccnn2)CCCO1 ZINC001201701401 791380157 /nfs/dbraw/zinc/38/01/57/791380157.db2.gz GHQFWQBZUCBFMQ-SNVBAGLBSA-N 1 0 336.352 -1.508 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201703434 791379580 /nfs/dbraw/zinc/37/95/80/791379580.db2.gz WKICTYSRDVZRBX-LLVKDONJSA-N 1 0 340.380 -1.062 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201703435 791379843 /nfs/dbraw/zinc/37/98/43/791379843.db2.gz WKICTYSRDVZRBX-NSHDSACASA-N 1 0 340.380 -1.062 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710338 791379417 /nfs/dbraw/zinc/37/94/17/791379417.db2.gz ALAVYLMDTRLWAJ-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710339 791379884 /nfs/dbraw/zinc/37/98/84/791379884.db2.gz ALAVYLMDTRLWAJ-NSHDSACASA-N 1 0 325.373 -1.984 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710782 791380341 /nfs/dbraw/zinc/38/03/41/791380341.db2.gz CERRDJCFFQPHHG-CHWSQXEVSA-N 1 0 342.400 -1.722 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710783 791380194 /nfs/dbraw/zinc/38/01/94/791380194.db2.gz CERRDJCFFQPHHG-OLZOCXBDSA-N 1 0 342.400 -1.722 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710784 791380348 /nfs/dbraw/zinc/38/03/48/791380348.db2.gz CERRDJCFFQPHHG-QWHCGFSZSA-N 1 0 342.400 -1.722 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710785 791379871 /nfs/dbraw/zinc/37/98/71/791379871.db2.gz CERRDJCFFQPHHG-STQMWFEESA-N 1 0 342.400 -1.722 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201712081 791380468 /nfs/dbraw/zinc/38/04/68/791380468.db2.gz KNPXUALNALNMEZ-NEPJUHHUSA-N 1 0 339.400 -1.595 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201712082 791379483 /nfs/dbraw/zinc/37/94/83/791379483.db2.gz KNPXUALNALNMEZ-NWDGAFQWSA-N 1 0 339.400 -1.595 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201712083 791379782 /nfs/dbraw/zinc/37/97/82/791379782.db2.gz KNPXUALNALNMEZ-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201712084 791379799 /nfs/dbraw/zinc/37/97/99/791379799.db2.gz KNPXUALNALNMEZ-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201712604 791380435 /nfs/dbraw/zinc/38/04/35/791380435.db2.gz PJGROZIRHIKWJO-GFCCVEGCSA-N 1 0 339.400 -1.642 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201712605 791379198 /nfs/dbraw/zinc/37/91/98/791379198.db2.gz PJGROZIRHIKWJO-LBPRGKRZSA-N 1 0 339.400 -1.642 20 0 EAADRO O=C(CCn1cnnn1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201712606 791380376 /nfs/dbraw/zinc/38/03/76/791380376.db2.gz PJUFMIQLUYWNNM-CYBMUJFWSA-N 1 0 349.399 -1.438 20 0 EAADRO O=C(CCn1cnnn1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201712649 791380368 /nfs/dbraw/zinc/38/03/68/791380368.db2.gz PJUFMIQLUYWNNM-ZDUSSCGKSA-N 1 0 349.399 -1.438 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1)C(N)=O ZINC001201712888 791379106 /nfs/dbraw/zinc/37/91/06/791379106.db2.gz RTCHNNXBQMNFCD-GHMZBOCLSA-N 1 0 325.373 -1.856 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1)C(N)=O ZINC001201712890 791380314 /nfs/dbraw/zinc/38/03/14/791380314.db2.gz RTCHNNXBQMNFCD-MNOVXSKESA-N 1 0 325.373 -1.856 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1)C(N)=O ZINC001201712892 791380589 /nfs/dbraw/zinc/38/05/89/791380589.db2.gz RTCHNNXBQMNFCD-QWRGUYRKSA-N 1 0 325.373 -1.856 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1)C(N)=O ZINC001201712894 791379910 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CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1)C(N)=O ZINC001201713657 791382211 /nfs/dbraw/zinc/38/22/11/791382211.db2.gz XZGHEHBLZFWPCB-VXGBXAGGSA-N 1 0 339.400 -1.466 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201713778 791381662 /nfs/dbraw/zinc/38/16/62/791381662.db2.gz YZMUMHOXTAYYQA-GFCCVEGCSA-N 1 0 339.400 -1.594 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201713783 791381137 /nfs/dbraw/zinc/38/11/37/791381137.db2.gz YZMUMHOXTAYYQA-LBPRGKRZSA-N 1 0 339.400 -1.594 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1)C(N)=O ZINC001201718479 791382354 /nfs/dbraw/zinc/38/23/54/791382354.db2.gz AWGVDDJEJHPVMC-GXSJLCMTSA-N 1 0 337.380 -1.192 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1)C(N)=O ZINC001201718480 791381614 /nfs/dbraw/zinc/38/16/14/791381614.db2.gz AWGVDDJEJHPVMC-KOLCDFICSA-N 1 0 337.380 -1.192 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1)C(N)=O ZINC001201718481 791381289 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EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 ZINC001201740008 791381923 /nfs/dbraw/zinc/38/19/23/791381923.db2.gz ALMTUXLIWAMYBB-WCQYABFASA-N 1 0 340.424 -1.146 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 ZINC001201740009 791382245 /nfs/dbraw/zinc/38/22/45/791382245.db2.gz ALMTUXLIWAMYBB-YPMHNXCESA-N 1 0 340.424 -1.146 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 ZINC001201740244 791381394 /nfs/dbraw/zinc/38/13/94/791381394.db2.gz FRDCMFDDMWNFGJ-KBPBESRZSA-N 1 0 343.424 -1.273 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 ZINC001201740245 791381325 /nfs/dbraw/zinc/38/13/25/791381325.db2.gz FRDCMFDDMWNFGJ-KGLIPLIRSA-N 1 0 343.424 -1.273 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 ZINC001201740246 791382263 /nfs/dbraw/zinc/38/22/63/791382263.db2.gz FRDCMFDDMWNFGJ-UONOGXRCSA-N 1 0 343.424 -1.273 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 ZINC001201740247 791381404 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EAADRO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201890386 791388229 /nfs/dbraw/zinc/38/82/29/791388229.db2.gz CBTYWGAFZIUUOC-OLZOCXBDSA-N 1 0 340.424 -1.003 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201890387 791389030 /nfs/dbraw/zinc/38/90/30/791389030.db2.gz CBTYWGAFZIUUOC-STQMWFEESA-N 1 0 340.424 -1.003 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201890459 791388664 /nfs/dbraw/zinc/38/86/64/791388664.db2.gz CRQFIIMAXUWTEG-NEPJUHHUSA-N 1 0 326.397 -1.440 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201890460 791389133 /nfs/dbraw/zinc/38/91/33/791389133.db2.gz CRQFIIMAXUWTEG-RYUDHWBXSA-N 1 0 326.397 -1.440 20 0 EAADRO CCCNC(=O)CCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201890854 791387982 /nfs/dbraw/zinc/38/79/82/791387982.db2.gz FFUAWEYGFRASNN-GFCCVEGCSA-N 1 0 328.413 -1.015 20 0 EAADRO CCCNC(=O)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201890856 791388962 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-1.483 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201891336 791388311 /nfs/dbraw/zinc/38/83/11/791388311.db2.gz MANMPBSKNGMLSZ-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201891443 791388516 /nfs/dbraw/zinc/38/85/16/791388516.db2.gz MISIXSLZJHZKSA-OLZOCXBDSA-N 1 0 326.397 -1.310 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201891467 791388895 /nfs/dbraw/zinc/38/88/95/791388895.db2.gz MISIXSLZJHZKSA-STQMWFEESA-N 1 0 326.397 -1.310 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1)NC1CC1 ZINC001201891509 791388406 /nfs/dbraw/zinc/38/84/06/791388406.db2.gz NAWHLBBOFYIQOV-OLZOCXBDSA-N 1 0 338.408 -1.249 20 0 EAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1)NC1CC1 ZINC001201891512 791388649 /nfs/dbraw/zinc/38/86/49/791388649.db2.gz NAWHLBBOFYIQOV-STQMWFEESA-N 1 0 338.408 -1.249 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201891746 791388833 /nfs/dbraw/zinc/38/88/33/791388833.db2.gz QAXMCLSUVWKDGM-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201891747 791388977 /nfs/dbraw/zinc/38/89/77/791388977.db2.gz QAXMCLSUVWKDGM-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201892190 791388822 /nfs/dbraw/zinc/38/88/22/791388822.db2.gz VKBYJFJHGGNUDV-AGIUHOORSA-N 1 0 329.397 -1.521 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201892191 791388643 /nfs/dbraw/zinc/38/86/43/791388643.db2.gz VKBYJFJHGGNUDV-AVGNSLFASA-N 1 0 329.397 -1.521 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201892192 791388207 /nfs/dbraw/zinc/38/82/07/791388207.db2.gz VKBYJFJHGGNUDV-UPJWGTAASA-N 1 0 329.397 -1.521 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201892193 791388462 /nfs/dbraw/zinc/38/84/62/791388462.db2.gz VKBYJFJHGGNUDV-XQQFMLRXSA-N 1 0 329.397 -1.521 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CCCO1 ZINC001201892206 791388783 /nfs/dbraw/zinc/38/87/83/791388783.db2.gz VSSJWTNOWUZROP-KBPBESRZSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CCCO1 ZINC001201892207 791388734 /nfs/dbraw/zinc/38/87/34/791388734.db2.gz VSSJWTNOWUZROP-KGLIPLIRSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201892372 791387889 /nfs/dbraw/zinc/38/78/89/791387889.db2.gz WRZFNIZQNHGSQT-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201892374 791388296 /nfs/dbraw/zinc/38/82/96/791388296.db2.gz WRZFNIZQNHGSQT-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201892529 791388381 /nfs/dbraw/zinc/38/83/81/791388381.db2.gz YCIGGPRYBJCTOP-OLZOCXBDSA-N 1 0 336.396 -1.236 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201892532 791388218 /nfs/dbraw/zinc/38/82/18/791388218.db2.gz YCIGGPRYBJCTOP-STQMWFEESA-N 1 0 336.396 -1.236 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001201900411 791389064 /nfs/dbraw/zinc/38/90/64/791389064.db2.gz HQMXXQOGDMAZIS-UHFFFAOYSA-N 1 0 347.383 -1.366 20 0 EAADRO CC(=O)N[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)C(C)C ZINC001201900440 791388010 /nfs/dbraw/zinc/38/80/10/791388010.db2.gz IYJVPYVOUDMGNI-GXTWGEPZSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(=O)N[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)C(C)C ZINC001201900444 791388100 /nfs/dbraw/zinc/38/81/00/791388100.db2.gz IYJVPYVOUDMGNI-TZMCWYRMSA-N 1 0 328.413 -1.161 20 0 EAADRO CN(C)C(=O)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201900464 791387915 /nfs/dbraw/zinc/38/79/15/791387915.db2.gz JFDXLBRMFXZTLC-GFCCVEGCSA-N 1 0 328.413 -1.063 20 0 EAADRO CN(C)C(=O)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201900466 791388939 /nfs/dbraw/zinc/38/89/39/791388939.db2.gz JFDXLBRMFXZTLC-LBPRGKRZSA-N 1 0 328.413 -1.063 20 0 EAADRO CCNC(=O)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201901611 791387965 /nfs/dbraw/zinc/38/79/65/791387965.db2.gz ROASICROKBJGPX-GFCCVEGCSA-N 1 0 328.413 -1.015 20 0 EAADRO CCNC(=O)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201901612 791388756 /nfs/dbraw/zinc/38/87/56/791388756.db2.gz ROASICROKBJGPX-LBPRGKRZSA-N 1 0 328.413 -1.015 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201901697 791388746 /nfs/dbraw/zinc/38/87/46/791388746.db2.gz UGYKQRHTLPUUHX-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201901699 791388140 /nfs/dbraw/zinc/38/81/40/791388140.db2.gz UGYKQRHTLPUUHX-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1)N1CCC1 ZINC001201902146 791388526 /nfs/dbraw/zinc/38/85/26/791388526.db2.gz XZEFWLXFHVSLMF-OLZOCXBDSA-N 1 0 338.408 -1.296 20 0 EAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1)N1CCC1 ZINC001201902147 791388504 /nfs/dbraw/zinc/38/85/04/791388504.db2.gz XZEFWLXFHVSLMF-STQMWFEESA-N 1 0 338.408 -1.296 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC([NH2+]CC(=O)NC3CC3)CC2)c1=O ZINC001201925381 791389472 /nfs/dbraw/zinc/38/94/72/791389472.db2.gz KGAAGOFWOLQNNS-UHFFFAOYSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC([NH2+]CCOCCO)CC2)c1=O ZINC001201926033 791390118 /nfs/dbraw/zinc/39/01/18/791390118.db2.gz WJZSCLUFJMDKFG-UHFFFAOYSA-N 1 0 340.380 -1.311 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001201926182 791389431 /nfs/dbraw/zinc/38/94/31/791389431.db2.gz ZQGKEQZHPRTVQL-UHFFFAOYSA-N 1 0 330.414 -1.143 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201931052 791389666 /nfs/dbraw/zinc/38/96/66/791389666.db2.gz MSGVCTOEVJBZNW-LLVKDONJSA-N 1 0 339.396 -1.227 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201931053 791389648 /nfs/dbraw/zinc/38/96/48/791389648.db2.gz MSGVCTOEVJBZNW-NSHDSACASA-N 1 0 339.396 -1.227 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC001201935076 791389508 /nfs/dbraw/zinc/38/95/08/791389508.db2.gz ADAIUAJOSIWEAG-UHFFFAOYSA-N 1 0 346.351 -1.487 20 0 EAADRO COc1nn(C)cc1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201936544 791390030 /nfs/dbraw/zinc/39/00/30/791390030.db2.gz YLUNJYXCLOIFGT-UHFFFAOYSA-N 1 0 338.368 -1.182 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1)C(=O)N(C)C ZINC001201940610 791390144 /nfs/dbraw/zinc/39/01/44/791390144.db2.gz DHCPIXFIYPYIFZ-GFCCVEGCSA-N 1 0 339.440 -1.525 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1)C(=O)N(C)C ZINC001201940612 791389552 /nfs/dbraw/zinc/38/95/52/791389552.db2.gz DHCPIXFIYPYIFZ-LBPRGKRZSA-N 1 0 339.440 -1.525 20 0 EAADRO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201940717 791389758 /nfs/dbraw/zinc/38/97/58/791389758.db2.gz DLTXFHDVEJVWLC-UHFFFAOYSA-N 1 0 339.440 -1.477 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCC([NH2+]CCOCCO)CC1 ZINC001201940856 791390044 /nfs/dbraw/zinc/39/00/44/791390044.db2.gz IIRHTCYIUPRSCV-UHFFFAOYSA-N 1 0 328.413 -1.992 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201940886 791389921 /nfs/dbraw/zinc/38/99/21/791389921.db2.gz JGVQAXFYFPGZCN-UHFFFAOYSA-N 1 0 346.453 -1.957 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1)NC1CC1 ZINC001201940946 791389599 /nfs/dbraw/zinc/38/95/99/791389599.db2.gz KVCMJIOHKVNMJM-UHFFFAOYSA-N 1 0 337.424 -1.723 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201941178 791389699 /nfs/dbraw/zinc/38/96/99/791389699.db2.gz MXMCQNGAUWODGN-CYBMUJFWSA-N 1 0 328.413 -1.994 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201941179 791389621 /nfs/dbraw/zinc/38/96/21/791389621.db2.gz MXMCQNGAUWODGN-ZDUSSCGKSA-N 1 0 328.413 -1.994 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201941207 791389842 /nfs/dbraw/zinc/38/98/42/791389842.db2.gz NVKOMMYRJPSHCO-UHFFFAOYSA-N 1 0 325.413 -1.865 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201941956 791390170 /nfs/dbraw/zinc/39/01/70/791390170.db2.gz WFUVIZUABPKBCP-UHFFFAOYSA-N 1 0 339.440 -1.523 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201941966 791390163 /nfs/dbraw/zinc/39/01/63/791390163.db2.gz WSCBEKQVMIJNFI-UHFFFAOYSA-N 1 0 340.384 -2.806 20 0 EAADRO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201942120 791389714 /nfs/dbraw/zinc/38/97/14/791389714.db2.gz ZNXQEKRFNOMUKG-UHFFFAOYSA-N 1 0 339.440 -1.475 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201942122 791390130 /nfs/dbraw/zinc/39/01/30/791390130.db2.gz ZOEIQAUMRFPRJO-LLVKDONJSA-N 1 0 325.413 -1.867 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001201942128 791390016 /nfs/dbraw/zinc/39/00/16/791390016.db2.gz ZOEIQAUMRFPRJO-NSHDSACASA-N 1 0 325.413 -1.867 20 0 EAADRO C[C@]1(CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CCS(=O)(=O)N1 ZINC001201952745 791390945 /nfs/dbraw/zinc/39/09/45/791390945.db2.gz NLVHPOUJCBOQGV-GXTWGEPZSA-N 1 0 349.453 -1.342 20 0 EAADRO C[C@@]1(CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CCS(=O)(=O)N1 ZINC001201952746 791391182 /nfs/dbraw/zinc/39/11/82/791391182.db2.gz NLVHPOUJCBOQGV-JSGCOSHPSA-N 1 0 349.453 -1.342 20 0 EAADRO C[C@@]1(CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CCS(=O)(=O)N1 ZINC001201952747 791391362 /nfs/dbraw/zinc/39/13/62/791391362.db2.gz NLVHPOUJCBOQGV-OCCSQVGLSA-N 1 0 349.453 -1.342 20 0 EAADRO C[C@]1(CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CCS(=O)(=O)N1 ZINC001201952748 791391358 /nfs/dbraw/zinc/39/13/58/791391358.db2.gz NLVHPOUJCBOQGV-TZMCWYRMSA-N 1 0 349.453 -1.342 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001201952849 791390812 /nfs/dbraw/zinc/39/08/12/791390812.db2.gz PVSWPFRBVPMMCC-NWDGAFQWSA-N 1 0 343.428 -1.224 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001201952850 791390478 /nfs/dbraw/zinc/39/04/78/791390478.db2.gz PVSWPFRBVPMMCC-VXGBXAGGSA-N 1 0 343.428 -1.224 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201953095 791391484 /nfs/dbraw/zinc/39/14/84/791391484.db2.gz UBLJJHISNQJGRR-GHMZBOCLSA-N 1 0 329.401 -1.484 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201953143 791391323 /nfs/dbraw/zinc/39/13/23/791391323.db2.gz UBLJJHISNQJGRR-WDEREUQCSA-N 1 0 329.401 -1.484 20 0 EAADRO CC(=O)N(C)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201957560 791391340 /nfs/dbraw/zinc/39/13/40/791391340.db2.gz BZQKSGTWVWBWLJ-CYBMUJFWSA-N 1 0 328.413 -1.063 20 0 EAADRO CC(=O)N(C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201957561 791391244 /nfs/dbraw/zinc/39/12/44/791391244.db2.gz BZQKSGTWVWBWLJ-ZDUSSCGKSA-N 1 0 328.413 -1.063 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001201958391 791391409 /nfs/dbraw/zinc/39/14/09/791391409.db2.gz HPRSTGGPVPAFMQ-GHMZBOCLSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001201958392 791391413 /nfs/dbraw/zinc/39/14/13/791391413.db2.gz HPRSTGGPVPAFMQ-MNOVXSKESA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001201958393 791391476 /nfs/dbraw/zinc/39/14/76/791391476.db2.gz HPRSTGGPVPAFMQ-QWRGUYRKSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001201958394 791390616 /nfs/dbraw/zinc/39/06/16/791390616.db2.gz HPRSTGGPVPAFMQ-WDEREUQCSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)c2OC)CCCO1 ZINC001201958460 791391507 /nfs/dbraw/zinc/39/15/07/791391507.db2.gz KISSEBDBYPYOJH-LLVKDONJSA-N 1 0 339.396 -1.005 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cnn(C)c2OC)CCCO1 ZINC001201958462 791390722 /nfs/dbraw/zinc/39/07/22/791390722.db2.gz KISSEBDBYPYOJH-NSHDSACASA-N 1 0 339.396 -1.005 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)CCCO1 ZINC001201958491 791391316 /nfs/dbraw/zinc/39/13/16/791391316.db2.gz KOHFCFNIHOYMAU-KBPBESRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)CCCO1 ZINC001201958492 791391418 /nfs/dbraw/zinc/39/14/18/791391418.db2.gz KOHFCFNIHOYMAU-KGLIPLIRSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)CCCO1 ZINC001201958493 791391457 /nfs/dbraw/zinc/39/14/57/791391457.db2.gz KOHFCFNIHOYMAU-UONOGXRCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)CCCO1 ZINC001201958494 791391228 /nfs/dbraw/zinc/39/12/28/791391228.db2.gz KOHFCFNIHOYMAU-ZIAGYGMSSA-N 1 0 340.424 -1.192 20 0 EAADRO COCCn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)cn1 ZINC001201958565 791390828 /nfs/dbraw/zinc/39/08/28/791390828.db2.gz MWIGPTFGSILHBZ-CYBMUJFWSA-N 1 0 339.396 -1.165 20 0 EAADRO COCCn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)cn1 ZINC001201958566 791391350 /nfs/dbraw/zinc/39/13/50/791391350.db2.gz MWIGPTFGSILHBZ-ZDUSSCGKSA-N 1 0 339.396 -1.165 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201959058 791390864 /nfs/dbraw/zinc/39/08/64/791390864.db2.gz RCARDEGFVZTLIX-CHWSQXEVSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(=O)N1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201959059 791390953 /nfs/dbraw/zinc/39/09/53/791390953.db2.gz RCARDEGFVZTLIX-OLZOCXBDSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201959060 791390797 /nfs/dbraw/zinc/39/07/97/791390797.db2.gz RCARDEGFVZTLIX-QWHCGFSZSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(=O)N1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201959061 791390444 /nfs/dbraw/zinc/39/04/44/791390444.db2.gz RCARDEGFVZTLIX-STQMWFEESA-N 1 0 326.397 -1.453 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001201959207 791390637 /nfs/dbraw/zinc/39/06/37/791390637.db2.gz MBWOUBKQCCQNKO-NXEZZACHSA-N 1 0 325.369 -1.727 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001201959208 791391395 /nfs/dbraw/zinc/39/13/95/791391395.db2.gz MBWOUBKQCCQNKO-UWVGGRQHSA-N 1 0 325.369 -1.727 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001201959209 791391141 /nfs/dbraw/zinc/39/11/41/791391141.db2.gz MBWOUBKQCCQNKO-VHSXEESVSA-N 1 0 325.369 -1.727 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001201959210 791391098 /nfs/dbraw/zinc/39/10/98/791391098.db2.gz MBWOUBKQCCQNKO-ZJUUUORDSA-N 1 0 325.369 -1.727 20 0 EAADRO COc1c(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)cnn1C ZINC001201959386 791390748 /nfs/dbraw/zinc/39/07/48/791390748.db2.gz UOORROIJCMRDFK-JTQLQIEISA-N 1 0 325.369 -1.265 20 0 EAADRO COc1c(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)cnn1C ZINC001201959387 791391440 /nfs/dbraw/zinc/39/14/40/791391440.db2.gz UOORROIJCMRDFK-SNVBAGLBSA-N 1 0 325.369 -1.265 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001201960066 791390934 /nfs/dbraw/zinc/39/09/34/791390934.db2.gz SECBKPMAHRBGNO-NEPJUHHUSA-N 1 0 346.453 -1.372 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001201960067 791391030 /nfs/dbraw/zinc/39/10/30/791391030.db2.gz SECBKPMAHRBGNO-NWDGAFQWSA-N 1 0 346.453 -1.372 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001201960068 791391004 /nfs/dbraw/zinc/39/10/04/791391004.db2.gz SECBKPMAHRBGNO-RYUDHWBXSA-N 1 0 346.453 -1.372 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001201960069 791390884 /nfs/dbraw/zinc/39/08/84/791390884.db2.gz SECBKPMAHRBGNO-VXGBXAGGSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001201960251 791391197 /nfs/dbraw/zinc/39/11/97/791391197.db2.gz XUAXKLBNYNBCDL-BDAKNGLRSA-N 1 0 327.385 -1.338 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1)C(=O)NC(N)=O ZINC001201960252 791391335 /nfs/dbraw/zinc/39/13/35/791391335.db2.gz XUAXKLBNYNBCDL-DTWKUNHWSA-N 1 0 327.385 -1.338 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001201960253 791391368 /nfs/dbraw/zinc/39/13/68/791391368.db2.gz XUAXKLBNYNBCDL-IUCAKERBSA-N 1 0 327.385 -1.338 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001201960254 791392574 /nfs/dbraw/zinc/39/25/74/791392574.db2.gz XUAXKLBNYNBCDL-RKDXNWHRSA-N 1 0 327.385 -1.338 20 0 EAADRO CNC(=O)c1cccc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)n1 ZINC001201964816 791392654 /nfs/dbraw/zinc/39/26/54/791392654.db2.gz ATNXOJXYNRQNSP-LLVKDONJSA-N 1 0 349.391 -1.253 20 0 EAADRO CNC(=O)c1cccc(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)n1 ZINC001201964817 791391820 /nfs/dbraw/zinc/39/18/20/791391820.db2.gz ATNXOJXYNRQNSP-NSHDSACASA-N 1 0 349.391 -1.253 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201964884 791392337 /nfs/dbraw/zinc/39/23/37/791392337.db2.gz CBMSWIPRQUBDAY-GFCCVEGCSA-N 1 0 337.442 -1.533 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201964885 791391950 /nfs/dbraw/zinc/39/19/50/791391950.db2.gz CBMSWIPRQUBDAY-LBPRGKRZSA-N 1 0 337.442 -1.533 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 ZINC001201964922 791392226 /nfs/dbraw/zinc/39/22/26/791392226.db2.gz CUALFTXBCGLTGI-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 ZINC001201964923 791391846 /nfs/dbraw/zinc/39/18/46/791391846.db2.gz CUALFTXBCGLTGI-NWDGAFQWSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 ZINC001201964924 791392722 /nfs/dbraw/zinc/39/27/22/791392722.db2.gz CUALFTXBCGLTGI-RYUDHWBXSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 ZINC001201964925 791392323 /nfs/dbraw/zinc/39/23/23/791392323.db2.gz CUALFTXBCGLTGI-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201965040 791391972 /nfs/dbraw/zinc/39/19/72/791391972.db2.gz FPEHAZHLLLYLJD-JTQLQIEISA-N 1 0 336.414 -2.430 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201965041 791392055 /nfs/dbraw/zinc/39/20/55/791392055.db2.gz FPEHAZHLLLYLJD-SNVBAGLBSA-N 1 0 336.414 -2.430 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201965447 791392376 /nfs/dbraw/zinc/39/23/76/791392376.db2.gz LYZQJDWCTMJBEG-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201965448 791392516 /nfs/dbraw/zinc/39/25/16/791392516.db2.gz LYZQJDWCTMJBEG-NWDGAFQWSA-N 1 0 326.397 -1.310 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201965449 791392550 /nfs/dbraw/zinc/39/25/50/791392550.db2.gz LYZQJDWCTMJBEG-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201965450 791392098 /nfs/dbraw/zinc/39/20/98/791392098.db2.gz LYZQJDWCTMJBEG-VXGBXAGGSA-N 1 0 326.397 -1.310 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 ZINC001201965488 791392581 /nfs/dbraw/zinc/39/25/81/791392581.db2.gz MOVHYHOAFNANJI-GFCCVEGCSA-N 1 0 337.442 -1.269 20 0 EAADRO COCC[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 ZINC001201965489 791391786 /nfs/dbraw/zinc/39/17/86/791391786.db2.gz MOVHYHOAFNANJI-LBPRGKRZSA-N 1 0 337.442 -1.269 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)CCCO1 ZINC001201965726 791392143 /nfs/dbraw/zinc/39/21/43/791392143.db2.gz QEHSOCGNFGWHLF-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)CCCO1 ZINC001201965727 791392696 /nfs/dbraw/zinc/39/26/96/791392696.db2.gz QEHSOCGNFGWHLF-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)CCCO1 ZINC001201965728 791392490 /nfs/dbraw/zinc/39/24/90/791392490.db2.gz QEHSOCGNFGWHLF-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)CCCO1 ZINC001201965729 791392345 /nfs/dbraw/zinc/39/23/45/791392345.db2.gz QEHSOCGNFGWHLF-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966106 791391859 /nfs/dbraw/zinc/39/18/59/791391859.db2.gz AFECSHFCFBKRNC-KBPBESRZSA-N 1 0 343.424 -1.273 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966108 791392544 /nfs/dbraw/zinc/39/25/44/791392544.db2.gz AFECSHFCFBKRNC-KGLIPLIRSA-N 1 0 343.424 -1.273 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966110 791392526 /nfs/dbraw/zinc/39/25/26/791392526.db2.gz AFECSHFCFBKRNC-UONOGXRCSA-N 1 0 343.424 -1.273 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966112 791392042 /nfs/dbraw/zinc/39/20/42/791392042.db2.gz AFECSHFCFBKRNC-ZIAGYGMSSA-N 1 0 343.424 -1.273 20 0 EAADRO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966138 791392680 /nfs/dbraw/zinc/39/26/80/791392680.db2.gz AMRAWSHGXQNWJC-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966140 791392240 /nfs/dbraw/zinc/39/22/40/791392240.db2.gz AMRAWSHGXQNWJC-ZDUSSCGKSA-N 1 0 340.424 -1.144 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966217 791392682 /nfs/dbraw/zinc/39/26/82/791392682.db2.gz BRTVGUMNVXKDQD-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966218 791392263 /nfs/dbraw/zinc/39/22/63/791392263.db2.gz BRTVGUMNVXKDQD-NSHDSACASA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001201966230 791392578 /nfs/dbraw/zinc/39/25/78/791392578.db2.gz BYCYNPJYQMJLEK-PSASIEDQSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001201966231 791392119 /nfs/dbraw/zinc/39/21/19/791392119.db2.gz BYCYNPJYQMJLEK-SCZZXKLOSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001201966232 791392300 /nfs/dbraw/zinc/39/23/00/791392300.db2.gz BYCYNPJYQMJLEK-WCBMZHEXSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001201966233 791392664 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CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966507 791392615 /nfs/dbraw/zinc/39/26/15/791392615.db2.gz HAASJTAVEILDHK-GXSJLCMTSA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966508 791392638 /nfs/dbraw/zinc/39/26/38/791392638.db2.gz HAASJTAVEILDHK-KOLCDFICSA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966509 791392025 /nfs/dbraw/zinc/39/20/25/791392025.db2.gz HAASJTAVEILDHK-MWLCHTKSSA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966510 791392330 /nfs/dbraw/zinc/39/23/30/791392330.db2.gz HAASJTAVEILDHK-ONGXEEELSA-N 1 0 339.396 -1.453 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201966513 791392086 /nfs/dbraw/zinc/39/20/86/791392086.db2.gz HCEMINSCVIBLOY-CYBMUJFWSA-N 1 0 340.424 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966514 791392368 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CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201966880 791392501 /nfs/dbraw/zinc/39/25/01/791392501.db2.gz NAKRDSBATXCMPN-NSHDSACASA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1)C(=O)NC(N)=O ZINC001201966923 791392621 /nfs/dbraw/zinc/39/26/21/791392621.db2.gz NZBCBWYZBRMZJZ-PSASIEDQSA-N 1 0 340.384 -1.826 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1)C(=O)NC(N)=O ZINC001201966924 791392192 /nfs/dbraw/zinc/39/21/92/791392192.db2.gz NZBCBWYZBRMZJZ-SCZZXKLOSA-N 1 0 340.384 -1.826 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1)C(=O)NC(N)=O ZINC001201966925 791391962 /nfs/dbraw/zinc/39/19/62/791391962.db2.gz NZBCBWYZBRMZJZ-WCBMZHEXSA-N 1 0 340.384 -1.826 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1)C(=O)NC(N)=O ZINC001201966926 791392727 /nfs/dbraw/zinc/39/27/27/791392727.db2.gz NZBCBWYZBRMZJZ-WPRPVWTQSA-N 1 0 340.384 -1.826 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001201967249 791392667 /nfs/dbraw/zinc/39/26/67/791392667.db2.gz SNIODDCNGAANAX-KBPBESRZSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001201967265 791392633 /nfs/dbraw/zinc/39/26/33/791392633.db2.gz SNIODDCNGAANAX-KGLIPLIRSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001201967266 791392199 /nfs/dbraw/zinc/39/21/99/791392199.db2.gz SNIODDCNGAANAX-UONOGXRCSA-N 1 0 335.408 -1.039 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001201967267 791392035 /nfs/dbraw/zinc/39/20/35/791392035.db2.gz SNIODDCNGAANAX-ZIAGYGMSSA-N 1 0 335.408 -1.039 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201967292 791392740 /nfs/dbraw/zinc/39/27/40/791392740.db2.gz SSZXWBLNSXGIRB-JTQLQIEISA-N 1 0 325.369 -1.841 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001201967296 791391738 /nfs/dbraw/zinc/39/17/38/791391738.db2.gz SSZXWBLNSXGIRB-SNVBAGLBSA-N 1 0 325.369 -1.841 20 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EAADRO Cc1nn(CC(=O)N2CCCO[C@H](C[NH2+]C[C@H](C)O)C2)c(=O)n1C ZINC001201982161 791390924 /nfs/dbraw/zinc/39/09/24/791390924.db2.gz DKOSAYKYBWCQGB-WCQYABFASA-N 1 0 341.412 -1.522 20 0 EAADRO Cc1nn(CC(=O)N2CCCO[C@@H](C[NH2+]C[C@@H](C)O)C2)c(=O)n1C ZINC001201982162 791390909 /nfs/dbraw/zinc/39/09/09/791390909.db2.gz DKOSAYKYBWCQGB-YPMHNXCESA-N 1 0 341.412 -1.522 20 0 EAADRO Cc1nn(CC(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)c(=O)n1C ZINC001201982181 791391471 /nfs/dbraw/zinc/39/14/71/791391471.db2.gz FCIITRYFAZUVFW-CYBMUJFWSA-N 1 0 341.412 -1.520 20 0 EAADRO Cc1nn(CC(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)c(=O)n1C ZINC001201982182 791391381 /nfs/dbraw/zinc/39/13/81/791391381.db2.gz FCIITRYFAZUVFW-ZDUSSCGKSA-N 1 0 341.412 -1.520 20 0 EAADRO Cc1nn(CC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001201983793 791391153 /nfs/dbraw/zinc/39/11/53/791391153.db2.gz VGBDVTSVKJQLDB-LLVKDONJSA-N 1 0 340.384 -2.417 20 0 EAADRO Cc1nn(CC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001201983794 791391297 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CC[C@H]([NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CCCO1)C(N)=O ZINC001202030699 791396541 /nfs/dbraw/zinc/39/65/41/791396541.db2.gz VTNSGPFFQNNNCC-QWRGUYRKSA-N 1 0 329.401 -1.484 20 0 EAADRO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CCCO1)C(N)=O ZINC001202030700 791396985 /nfs/dbraw/zinc/39/69/85/791396985.db2.gz VTNSGPFFQNNNCC-WDEREUQCSA-N 1 0 329.401 -1.484 20 0 EAADRO NC(=O)NCCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202030753 791397431 /nfs/dbraw/zinc/39/74/31/791397431.db2.gz XBDFIEYTVJNALK-GHMZBOCLSA-N 1 0 327.385 -1.860 20 0 EAADRO NC(=O)NCCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202030754 791396905 /nfs/dbraw/zinc/39/69/05/791396905.db2.gz XBDFIEYTVJNALK-MNOVXSKESA-N 1 0 327.385 -1.860 20 0 EAADRO NC(=O)NCCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202030755 791396374 /nfs/dbraw/zinc/39/63/74/791396374.db2.gz XBDFIEYTVJNALK-QWRGUYRKSA-N 1 0 327.385 -1.860 20 0 EAADRO NC(=O)NCCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202030756 791396663 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C[C@H]([NH2+]C[C@H]1CN(C(=O)Cn2ccccc2=O)CCCO1)C(N)=O ZINC001202030958 791396416 /nfs/dbraw/zinc/39/64/16/791396416.db2.gz ZRWHOEBVAPUQJD-STQMWFEESA-N 1 0 336.392 -1.071 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CCCO1 ZINC001202030965 791397425 /nfs/dbraw/zinc/39/74/25/791397425.db2.gz ZWVDGZCTNPZOQM-GHMZBOCLSA-N 1 0 329.401 -1.614 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CCCO1 ZINC001202030966 791397271 /nfs/dbraw/zinc/39/72/71/791397271.db2.gz ZWVDGZCTNPZOQM-MNOVXSKESA-N 1 0 329.401 -1.614 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CCCO1 ZINC001202030967 791396805 /nfs/dbraw/zinc/39/68/05/791396805.db2.gz ZWVDGZCTNPZOQM-QWRGUYRKSA-N 1 0 329.401 -1.614 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CCCO1 ZINC001202030968 791396568 /nfs/dbraw/zinc/39/65/68/791396568.db2.gz ZWVDGZCTNPZOQM-WDEREUQCSA-N 1 0 329.401 -1.614 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202039184 791397369 /nfs/dbraw/zinc/39/73/69/791397369.db2.gz ATQOFNARPSNRKW-JTQLQIEISA-N 1 0 325.369 -1.617 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001202039924 791397363 /nfs/dbraw/zinc/39/73/63/791397363.db2.gz FVYLSNDKNJPACG-MRVPVSSYSA-N 1 0 338.372 -1.752 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001202039926 791396517 /nfs/dbraw/zinc/39/65/17/791396517.db2.gz FVYLSNDKNJPACG-QMMMGPOBSA-N 1 0 338.372 -1.752 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC001202040370 791396309 /nfs/dbraw/zinc/39/63/09/791396309.db2.gz KEPXRERFHTYNBO-NSHDSACASA-N 1 0 339.396 -1.357 20 0 EAADRO Cc1csc(=O)n1CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202040584 791396588 /nfs/dbraw/zinc/39/65/88/791396588.db2.gz HPCHUDVUNLPKDY-LLVKDONJSA-N 1 0 342.421 -1.089 20 0 EAADRO Cc1csc(=O)n1CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202040585 791396839 /nfs/dbraw/zinc/39/68/39/791396839.db2.gz HPCHUDVUNLPKDY-NSHDSACASA-N 1 0 342.421 -1.089 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202040934 791396393 /nfs/dbraw/zinc/39/63/93/791396393.db2.gz SCJVBRQWQZITLZ-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO Cn1nnc(C(=O)N2CCC([NH2+]C[C@@H](O)Cn3cccn3)CC2)n1 ZINC001202041115 791397258 /nfs/dbraw/zinc/39/72/58/791397258.db2.gz WDQWNZPSUZJFDU-GFCCVEGCSA-N 1 0 334.384 -1.338 20 0 EAADRO Cn1nnc(C(=O)N2CCC([NH2+]C[C@H](O)Cn3cccn3)CC2)n1 ZINC001202041117 791396387 /nfs/dbraw/zinc/39/63/87/791396387.db2.gz WDQWNZPSUZJFDU-LBPRGKRZSA-N 1 0 334.384 -1.338 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1)C(=O)NC(N)=O ZINC001202041145 791396822 /nfs/dbraw/zinc/39/68/22/791396822.db2.gz WRQQBRGGKIFRJN-KOLCDFICSA-N 1 0 339.396 -1.229 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1)C(=O)NC(N)=O ZINC001202041148 791397550 /nfs/dbraw/zinc/39/75/50/791397550.db2.gz WRQQBRGGKIFRJN-ONGXEEELSA-N 1 0 339.396 -1.229 20 0 EAADRO CC(C)(C)C(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202049882 791394694 /nfs/dbraw/zinc/39/46/94/791394694.db2.gz SBGVRLBBQFCIJW-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO CC(C)(C)C(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202049883 791394911 /nfs/dbraw/zinc/39/49/11/791394911.db2.gz SBGVRLBBQFCIJW-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CCCO1 ZINC001202057742 791397340 /nfs/dbraw/zinc/39/73/40/791397340.db2.gz HASWCAJIKILTOE-LLVKDONJSA-N 1 0 340.380 -1.047 20 0 EAADRO COCC[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CCCO1 ZINC001202057744 791396444 /nfs/dbraw/zinc/39/64/44/791396444.db2.gz HASWCAJIKILTOE-NSHDSACASA-N 1 0 340.380 -1.047 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202058323 791396789 /nfs/dbraw/zinc/39/67/89/791396789.db2.gz KHIQLGYLZKUAOH-CYBMUJFWSA-N 1 0 349.453 -2.084 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202058324 791397356 /nfs/dbraw/zinc/39/73/56/791397356.db2.gz KHIQLGYLZKUAOH-ZDUSSCGKSA-N 1 0 349.453 -2.084 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)c(=O)[nH]c1=O ZINC001202059107 791396722 /nfs/dbraw/zinc/39/67/22/791396722.db2.gz OXAUYFKXHKEBBF-LLVKDONJSA-N 1 0 340.380 -1.311 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)c(=O)[nH]c1=O ZINC001202059108 791396493 /nfs/dbraw/zinc/39/64/93/791396493.db2.gz OXAUYFKXHKEBBF-NSHDSACASA-N 1 0 340.380 -1.311 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)CCCO1 ZINC001202059540 791396351 /nfs/dbraw/zinc/39/63/51/791396351.db2.gz QXISXCFFWAZTJK-LLVKDONJSA-N 1 0 347.379 -1.641 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2nc3ncccn3n2)CCCO1 ZINC001202059541 791397554 /nfs/dbraw/zinc/39/75/54/791397554.db2.gz QXISXCFFWAZTJK-NSHDSACASA-N 1 0 347.379 -1.641 20 0 EAADRO Cn1ccc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001202059870 791397411 /nfs/dbraw/zinc/39/74/11/791397411.db2.gz RWTYWKRCYHABQU-JTQLQIEISA-N 1 0 338.368 -1.564 20 0 EAADRO Cn1ccc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001202059871 791397476 /nfs/dbraw/zinc/39/74/76/791397476.db2.gz RWTYWKRCYHABQU-SNVBAGLBSA-N 1 0 338.368 -1.564 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CCCO1 ZINC001202060180 791396974 /nfs/dbraw/zinc/39/69/74/791396974.db2.gz UJMVZWMNHCDSPV-GHMZBOCLSA-N 1 0 340.380 -1.313 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CCCO1 ZINC001202060181 791396776 /nfs/dbraw/zinc/39/67/76/791396776.db2.gz UJMVZWMNHCDSPV-MNOVXSKESA-N 1 0 340.380 -1.313 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CCCO1 ZINC001202060182 791397074 /nfs/dbraw/zinc/39/70/74/791397074.db2.gz UJMVZWMNHCDSPV-QWRGUYRKSA-N 1 0 340.380 -1.313 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CCCO1 ZINC001202060183 791397264 /nfs/dbraw/zinc/39/72/64/791397264.db2.gz UJMVZWMNHCDSPV-WDEREUQCSA-N 1 0 340.380 -1.313 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)c(=O)[nH]c1=O ZINC001202060446 791397438 /nfs/dbraw/zinc/39/74/38/791397438.db2.gz YDZHMDNXQJOJIK-SECBINFHSA-N 1 0 339.352 -2.208 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)c(=O)[nH]c1=O ZINC001202060448 791396920 /nfs/dbraw/zinc/39/69/20/791396920.db2.gz YDZHMDNXQJOJIK-VIFPVBQESA-N 1 0 339.352 -2.208 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)c(=O)[nH]c1=O ZINC001202060458 791397306 /nfs/dbraw/zinc/39/73/06/791397306.db2.gz YJOVYRKEVHYYKQ-JTQLQIEISA-N 1 0 326.353 -1.701 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)c(=O)[nH]c1=O ZINC001202060464 791396730 /nfs/dbraw/zinc/39/67/30/791396730.db2.gz YJOVYRKEVHYYKQ-SNVBAGLBSA-N 1 0 326.353 -1.701 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202060547 791396346 /nfs/dbraw/zinc/39/63/46/791396346.db2.gz ZSLUCICNHQYPDF-GFCCVEGCSA-N 1 0 334.380 -1.134 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202060549 791397050 /nfs/dbraw/zinc/39/70/50/791397050.db2.gz ZSLUCICNHQYPDF-LBPRGKRZSA-N 1 0 334.380 -1.134 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC001202067824 791397238 /nfs/dbraw/zinc/39/72/38/791397238.db2.gz HWZDBBDJLGHDMS-LLVKDONJSA-N 1 0 339.396 -1.499 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC001202067825 791396745 /nfs/dbraw/zinc/39/67/45/791396745.db2.gz HWZDBBDJLGHDMS-NSHDSACASA-N 1 0 339.396 -1.499 20 0 EAADRO CN1CC[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1=O ZINC001202068277 791396867 /nfs/dbraw/zinc/39/68/67/791396867.db2.gz MEBRFBYAFZTTGV-JTQLQIEISA-N 1 0 325.369 -1.760 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1=O ZINC001202068278 791396939 /nfs/dbraw/zinc/39/69/39/791396939.db2.gz MEBRFBYAFZTTGV-SNVBAGLBSA-N 1 0 325.369 -1.760 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1=O ZINC001202068323 791397346 /nfs/dbraw/zinc/39/73/46/791397346.db2.gz NTZXVFDPHGRUCZ-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1CC[C@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1=O ZINC001202068325 791396316 /nfs/dbraw/zinc/39/63/16/791396316.db2.gz NTZXVFDPHGRUCZ-LBPRGKRZSA-N 1 0 346.453 -1.406 20 0 EAADRO Cc1cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)no1 ZINC001202070304 791396452 /nfs/dbraw/zinc/39/64/52/791396452.db2.gz SROIYUJHDMFMSX-JTQLQIEISA-N 1 0 339.352 -1.386 20 0 EAADRO Cc1cc(NC(=O)C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)no1 ZINC001202070305 791397504 /nfs/dbraw/zinc/39/75/04/791397504.db2.gz SROIYUJHDMFMSX-SNVBAGLBSA-N 1 0 339.352 -1.386 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1)C(N)=O ZINC001202078429 791397382 /nfs/dbraw/zinc/39/73/82/791397382.db2.gz GIDADMCKBFMYGN-GXSJLCMTSA-N 1 0 337.380 -1.192 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1)C(N)=O ZINC001202078430 791397569 /nfs/dbraw/zinc/39/75/69/791397569.db2.gz GIDADMCKBFMYGN-KOLCDFICSA-N 1 0 337.380 -1.192 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1)C(N)=O ZINC001202078431 791397515 /nfs/dbraw/zinc/39/75/15/791397515.db2.gz GIDADMCKBFMYGN-MWLCHTKSSA-N 1 0 337.380 -1.192 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1)C(N)=O ZINC001202078432 791397486 /nfs/dbraw/zinc/39/74/86/791397486.db2.gz GIDADMCKBFMYGN-ONGXEEELSA-N 1 0 337.380 -1.192 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 ZINC001202078573 791396880 /nfs/dbraw/zinc/39/68/80/791396880.db2.gz GTLOCQUQVTWNCI-GFCCVEGCSA-N 1 0 335.364 -1.514 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 ZINC001202078574 791396362 /nfs/dbraw/zinc/39/63/62/791396362.db2.gz GTLOCQUQVTWNCI-LBPRGKRZSA-N 1 0 335.364 -1.514 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001202078583 791398196 /nfs/dbraw/zinc/39/81/96/791398196.db2.gz GZSXBJOESYCSEP-NEPJUHHUSA-N 1 0 335.426 -1.732 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001202078584 791398292 /nfs/dbraw/zinc/39/82/92/791398292.db2.gz GZSXBJOESYCSEP-NWDGAFQWSA-N 1 0 335.426 -1.732 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001202078585 791398084 /nfs/dbraw/zinc/39/80/84/791398084.db2.gz GZSXBJOESYCSEP-RYUDHWBXSA-N 1 0 335.426 -1.732 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001202078586 791398523 /nfs/dbraw/zinc/39/85/23/791398523.db2.gz GZSXBJOESYCSEP-VXGBXAGGSA-N 1 0 335.426 -1.732 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202078972 791398604 /nfs/dbraw/zinc/39/86/04/791398604.db2.gz KABDMUBNMOVECT-GHMZBOCLSA-N 1 0 348.425 -2.369 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202078978 791398958 /nfs/dbraw/zinc/39/89/58/791398958.db2.gz KABDMUBNMOVECT-MNOVXSKESA-N 1 0 348.425 -2.369 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202078980 791398982 /nfs/dbraw/zinc/39/89/82/791398982.db2.gz KABDMUBNMOVECT-QWRGUYRKSA-N 1 0 348.425 -2.369 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202078984 791398443 /nfs/dbraw/zinc/39/84/43/791398443.db2.gz KABDMUBNMOVECT-WDEREUQCSA-N 1 0 348.425 -2.369 20 0 EAADRO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079322 791398092 /nfs/dbraw/zinc/39/80/92/791398092.db2.gz MBHAWAMKCMKPLD-CHWSQXEVSA-N 1 0 349.453 -1.078 20 0 EAADRO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079324 791398743 /nfs/dbraw/zinc/39/87/43/791398743.db2.gz MBHAWAMKCMKPLD-OLZOCXBDSA-N 1 0 349.453 -1.078 20 0 EAADRO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079325 791399001 /nfs/dbraw/zinc/39/90/01/791399001.db2.gz MBHAWAMKCMKPLD-QWHCGFSZSA-N 1 0 349.453 -1.078 20 0 EAADRO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079327 791398501 /nfs/dbraw/zinc/39/85/01/791398501.db2.gz MBHAWAMKCMKPLD-STQMWFEESA-N 1 0 349.453 -1.078 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 ZINC001202079332 791398669 /nfs/dbraw/zinc/39/86/69/791398669.db2.gz MCAUPRVJWSJJCN-CYBMUJFWSA-N 1 0 349.391 -1.253 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 ZINC001202079333 791398702 /nfs/dbraw/zinc/39/87/02/791398702.db2.gz MCAUPRVJWSJJCN-ZDUSSCGKSA-N 1 0 349.391 -1.253 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079616 791398852 /nfs/dbraw/zinc/39/88/52/791398852.db2.gz NQECTYFXNQBPPE-NXEZZACHSA-N 1 0 334.398 -2.630 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079620 791398586 /nfs/dbraw/zinc/39/85/86/791398586.db2.gz NQECTYFXNQBPPE-UWVGGRQHSA-N 1 0 334.398 -2.630 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079621 791398811 /nfs/dbraw/zinc/39/88/11/791398811.db2.gz NQECTYFXNQBPPE-VHSXEESVSA-N 1 0 334.398 -2.630 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202079622 791399143 /nfs/dbraw/zinc/39/91/43/791399143.db2.gz NQECTYFXNQBPPE-ZJUUUORDSA-N 1 0 334.398 -2.630 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 ZINC001202080187 791398876 /nfs/dbraw/zinc/39/88/76/791398876.db2.gz QQYACMLCHKMSKR-LLVKDONJSA-N 1 0 337.380 -1.320 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 ZINC001202080188 791398377 /nfs/dbraw/zinc/39/83/77/791398377.db2.gz QQYACMLCHKMSKR-NSHDSACASA-N 1 0 337.380 -1.320 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202080938 791398786 /nfs/dbraw/zinc/39/87/86/791398786.db2.gz XAUNKYDTWFNAHV-NEPJUHHUSA-N 1 0 335.426 -1.468 20 0 EAADRO COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202080939 791398803 /nfs/dbraw/zinc/39/88/03/791398803.db2.gz XAUNKYDTWFNAHV-NWDGAFQWSA-N 1 0 335.426 -1.468 20 0 EAADRO COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202080941 791398936 /nfs/dbraw/zinc/39/89/36/791398936.db2.gz XAUNKYDTWFNAHV-RYUDHWBXSA-N 1 0 335.426 -1.468 20 0 EAADRO COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202080942 791398352 /nfs/dbraw/zinc/39/83/52/791398352.db2.gz XAUNKYDTWFNAHV-VXGBXAGGSA-N 1 0 335.426 -1.468 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1)C(N)=O ZINC001202081032 791398896 /nfs/dbraw/zinc/39/88/96/791398896.db2.gz YYJFUOYAGGZWSU-GWCFXTLKSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1)C(N)=O ZINC001202081033 791398750 /nfs/dbraw/zinc/39/87/50/791398750.db2.gz YYJFUOYAGGZWSU-GXFFZTMASA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1)C(N)=O ZINC001202081034 791399217 /nfs/dbraw/zinc/39/92/17/791399217.db2.gz YYJFUOYAGGZWSU-MFKMUULPSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1)C(N)=O ZINC001202081035 791398044 /nfs/dbraw/zinc/39/80/44/791398044.db2.gz YYJFUOYAGGZWSU-ZWNOBZJWSA-N 1 0 349.391 -1.125 20 0 EAADRO COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202081059 791398890 /nfs/dbraw/zinc/39/88/90/791398890.db2.gz ZJIWFTPYRWDDSN-CHWSQXEVSA-N 1 0 349.453 -1.078 20 0 EAADRO COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202081060 791399014 /nfs/dbraw/zinc/39/90/14/791399014.db2.gz ZJIWFTPYRWDDSN-OLZOCXBDSA-N 1 0 349.453 -1.078 20 0 EAADRO COCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202081062 791398362 /nfs/dbraw/zinc/39/83/62/791398362.db2.gz ZJIWFTPYRWDDSN-QWHCGFSZSA-N 1 0 349.453 -1.078 20 0 EAADRO COCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 ZINC001202081063 791398219 /nfs/dbraw/zinc/39/82/19/791398219.db2.gz ZJIWFTPYRWDDSN-STQMWFEESA-N 1 0 349.453 -1.078 20 0 EAADRO CCOCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 ZINC001202086397 791398776 /nfs/dbraw/zinc/39/87/76/791398776.db2.gz CIHZTMRZTZHVBJ-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CCOCC[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 ZINC001202086402 791399023 /nfs/dbraw/zinc/39/90/23/791399023.db2.gz CIHZTMRZTZHVBJ-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 ZINC001202086498 791399081 /nfs/dbraw/zinc/39/90/81/791399081.db2.gz FZAVSUIEUMBYAD-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 ZINC001202086500 791398274 /nfs/dbraw/zinc/39/82/74/791398274.db2.gz FZAVSUIEUMBYAD-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]CCCOC)C1 ZINC001202086730 791398330 /nfs/dbraw/zinc/39/83/30/791398330.db2.gz GNUPZZCWWRMQSO-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]CCCOC)C1 ZINC001202086732 791398717 /nfs/dbraw/zinc/39/87/17/791398717.db2.gz GNUPZZCWWRMQSO-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202087549 791398912 /nfs/dbraw/zinc/39/89/12/791398912.db2.gz MFOUHJLONJQIAS-NEPJUHHUSA-N 1 0 328.413 -1.159 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202087550 791398246 /nfs/dbraw/zinc/39/82/46/791398246.db2.gz MFOUHJLONJQIAS-NWDGAFQWSA-N 1 0 328.413 -1.159 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202087552 791398528 /nfs/dbraw/zinc/39/85/28/791398528.db2.gz MFOUHJLONJQIAS-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202087553 791398761 /nfs/dbraw/zinc/39/87/61/791398761.db2.gz MFOUHJLONJQIAS-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO CCCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001202087576 791398299 /nfs/dbraw/zinc/39/82/99/791398299.db2.gz MKCMYWSJDRODPY-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CCCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001202087577 791399158 /nfs/dbraw/zinc/39/91/58/791399158.db2.gz MKCMYWSJDRODPY-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 ZINC001202087929 791398621 /nfs/dbraw/zinc/39/86/21/791398621.db2.gz OZHIGYGWUNBBSI-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 ZINC001202087930 791398834 /nfs/dbraw/zinc/39/88/34/791398834.db2.gz OZHIGYGWUNBBSI-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001202087931 791398427 /nfs/dbraw/zinc/39/84/27/791398427.db2.gz PARUTEOTDFENEW-NEPJUHHUSA-N 1 0 337.442 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)OC)C1 ZINC001202087932 791398848 /nfs/dbraw/zinc/39/88/48/791398848.db2.gz PARUTEOTDFENEW-NWDGAFQWSA-N 1 0 337.442 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)OC)C1 ZINC001202087933 791398722 /nfs/dbraw/zinc/39/87/22/791398722.db2.gz PARUTEOTDFENEW-RYUDHWBXSA-N 1 0 337.442 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001202087934 791399175 /nfs/dbraw/zinc/39/91/75/791399175.db2.gz PARUTEOTDFENEW-VXGBXAGGSA-N 1 0 337.442 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)COC)C1 ZINC001202087985 791398953 /nfs/dbraw/zinc/39/89/53/791398953.db2.gz QWKMJXUDHDEQPD-NEPJUHHUSA-N 1 0 337.442 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)COC)C1 ZINC001202087986 791399183 /nfs/dbraw/zinc/39/91/83/791399183.db2.gz QWKMJXUDHDEQPD-NWDGAFQWSA-N 1 0 337.442 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC001202087987 791398495 /nfs/dbraw/zinc/39/84/95/791398495.db2.gz QWKMJXUDHDEQPD-RYUDHWBXSA-N 1 0 337.442 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)COC)C1 ZINC001202087988 791399137 /nfs/dbraw/zinc/39/91/37/791399137.db2.gz QWKMJXUDHDEQPD-VXGBXAGGSA-N 1 0 337.442 -1.222 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 ZINC001202088403 791398727 /nfs/dbraw/zinc/39/87/27/791398727.db2.gz UBROPZCUFXSFKC-JTQLQIEISA-N 1 0 336.414 -2.511 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 ZINC001202088407 791398795 /nfs/dbraw/zinc/39/87/95/791398795.db2.gz UBROPZCUFXSFKC-SNVBAGLBSA-N 1 0 336.414 -2.511 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001202088460 791398261 /nfs/dbraw/zinc/39/82/61/791398261.db2.gz ULKXBJSPUSURTC-NXEZZACHSA-N 1 0 336.414 -2.384 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001202088462 791398310 /nfs/dbraw/zinc/39/83/10/791398310.db2.gz ULKXBJSPUSURTC-UWVGGRQHSA-N 1 0 336.414 -2.384 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001202088463 791398822 /nfs/dbraw/zinc/39/88/22/791398822.db2.gz ULKXBJSPUSURTC-VHSXEESVSA-N 1 0 336.414 -2.384 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001202088465 791398207 /nfs/dbraw/zinc/39/82/07/791398207.db2.gz ULKXBJSPUSURTC-ZJUUUORDSA-N 1 0 336.414 -2.384 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001202088470 791398685 /nfs/dbraw/zinc/39/86/85/791398685.db2.gz UPHXGROAZXYAAD-CHWSQXEVSA-N 1 0 349.453 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001202088472 791399130 /nfs/dbraw/zinc/39/91/30/791399130.db2.gz UPHXGROAZXYAAD-OLZOCXBDSA-N 1 0 349.453 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001202088473 791398420 /nfs/dbraw/zinc/39/84/20/791398420.db2.gz UPHXGROAZXYAAD-QWHCGFSZSA-N 1 0 349.453 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001202088475 791398655 /nfs/dbraw/zinc/39/86/55/791398655.db2.gz UPHXGROAZXYAAD-STQMWFEESA-N 1 0 349.453 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202088505 791398862 /nfs/dbraw/zinc/39/88/62/791398862.db2.gz VHDILRBCDJBPPH-GHMZBOCLSA-N 1 0 348.425 -2.369 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202088506 791399232 /nfs/dbraw/zinc/39/92/32/791399232.db2.gz VHDILRBCDJBPPH-MNOVXSKESA-N 1 0 348.425 -2.369 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202088507 791399029 /nfs/dbraw/zinc/39/90/29/791399029.db2.gz VHDILRBCDJBPPH-QWRGUYRKSA-N 1 0 348.425 -2.369 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202088508 791398230 /nfs/dbraw/zinc/39/82/30/791398230.db2.gz VHDILRBCDJBPPH-WDEREUQCSA-N 1 0 348.425 -2.369 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)CCCO1 ZINC001202096512 791398163 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339.396 -1.371 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1)C(=O)NC(N)=O ZINC001202100687 791400423 /nfs/dbraw/zinc/40/04/23/791400423.db2.gz BNGGQDRAGKIKSM-MWLCHTKSSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1)C(=O)NC(N)=O ZINC001202100688 791399859 /nfs/dbraw/zinc/39/98/59/791399859.db2.gz BNGGQDRAGKIKSM-ONGXEEELSA-N 1 0 339.396 -1.371 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001202107736 791399907 /nfs/dbraw/zinc/39/99/07/791399907.db2.gz CBWJDGADMJSWFF-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 ZINC001202107739 791400464 /nfs/dbraw/zinc/40/04/64/791400464.db2.gz CBWJDGADMJSWFF-NWDGAFQWSA-N 1 0 347.437 -1.483 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001202107742 791400548 /nfs/dbraw/zinc/40/05/48/791400548.db2.gz CBWJDGADMJSWFF-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 ZINC001202107743 791400226 /nfs/dbraw/zinc/40/02/26/791400226.db2.gz CBWJDGADMJSWFF-VXGBXAGGSA-N 1 0 347.437 -1.483 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 ZINC001202108180 791400527 /nfs/dbraw/zinc/40/05/27/791400527.db2.gz FVMMZAFSFRSQSY-GHMZBOCLSA-N 1 0 333.410 -1.744 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001202108186 791399802 /nfs/dbraw/zinc/39/98/02/791399802.db2.gz FVMMZAFSFRSQSY-MNOVXSKESA-N 1 0 333.410 -1.744 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001202108188 791399986 /nfs/dbraw/zinc/39/99/86/791399986.db2.gz FVMMZAFSFRSQSY-QWRGUYRKSA-N 1 0 333.410 -1.744 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 ZINC001202108191 791400364 /nfs/dbraw/zinc/40/03/64/791400364.db2.gz FVMMZAFSFRSQSY-WDEREUQCSA-N 1 0 333.410 -1.744 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccc[nH]2)CCCO1 ZINC001202110053 791400263 /nfs/dbraw/zinc/40/02/63/791400263.db2.gz 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CCN1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115277 791399587 /nfs/dbraw/zinc/39/95/87/791399587.db2.gz JQYQZZBFGBTXPD-KBPBESRZSA-N 1 0 342.440 -1.340 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115278 791399686 /nfs/dbraw/zinc/39/96/86/791399686.db2.gz JQYQZZBFGBTXPD-KGLIPLIRSA-N 1 0 342.440 -1.340 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115279 791400447 /nfs/dbraw/zinc/40/04/47/791400447.db2.gz JQYQZZBFGBTXPD-UONOGXRCSA-N 1 0 342.440 -1.340 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115280 791400291 /nfs/dbraw/zinc/40/02/91/791400291.db2.gz JQYQZZBFGBTXPD-ZIAGYGMSSA-N 1 0 342.440 -1.340 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)CCCO1 ZINC001202124572 791400516 /nfs/dbraw/zinc/40/05/16/791400516.db2.gz KIYDNTXGIVVSFG-NEPJUHHUSA-N 1 0 336.396 -1.467 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)CCCO1 ZINC001202124573 791400693 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C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CCCO1 ZINC001202153976 791401361 /nfs/dbraw/zinc/40/13/61/791401361.db2.gz JMWXCLUJSJTZGW-MNOVXSKESA-N 1 0 340.384 -2.035 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CCCO1 ZINC001202153978 791401866 /nfs/dbraw/zinc/40/18/66/791401866.db2.gz JMWXCLUJSJTZGW-QWRGUYRKSA-N 1 0 340.384 -2.035 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CCCO1 ZINC001202153979 791401311 /nfs/dbraw/zinc/40/13/11/791401311.db2.gz JMWXCLUJSJTZGW-WDEREUQCSA-N 1 0 340.384 -2.035 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001202154096 791402337 /nfs/dbraw/zinc/40/23/37/791402337.db2.gz KPTHCZGFVNQGSY-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001202154098 791401563 /nfs/dbraw/zinc/40/15/63/791401563.db2.gz KPTHCZGFVNQGSY-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CCCCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202154493 791402213 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CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001202154556 791401673 /nfs/dbraw/zinc/40/16/73/791401673.db2.gz PEPVUSQYIMMAIV-LLVKDONJSA-N 1 0 335.426 -1.626 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001202154560 791402062 /nfs/dbraw/zinc/40/20/62/791402062.db2.gz PEPVUSQYIMMAIV-NSHDSACASA-N 1 0 335.426 -1.626 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCCF)C2)nn1 ZINC001202155192 791401992 /nfs/dbraw/zinc/40/19/92/791401992.db2.gz VRPBEXDSBJQRID-LLVKDONJSA-N 1 0 342.375 -1.056 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCCF)C2)nn1 ZINC001202155195 791401710 /nfs/dbraw/zinc/40/17/10/791401710.db2.gz VRPBEXDSBJQRID-NSHDSACASA-N 1 0 342.375 -1.056 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)CCCO1 ZINC001202155206 791401478 /nfs/dbraw/zinc/40/14/78/791401478.db2.gz VVASGFJVJFXOOG-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)CCCO1 ZINC001202155207 791401958 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EAADRO NC(=O)Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)nn1 ZINC001202155293 791401659 /nfs/dbraw/zinc/40/16/59/791401659.db2.gz XPPKFPYHQPBVEF-SNVBAGLBSA-N 1 0 326.357 -2.424 20 0 EAADRO CN1C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CCC1=O ZINC001202155517 791401346 /nfs/dbraw/zinc/40/13/46/791401346.db2.gz ZOGAXQFRQBDBLT-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO CN1C[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CCC1=O ZINC001202155518 791401591 /nfs/dbraw/zinc/40/15/91/791401591.db2.gz ZOGAXQFRQBDBLT-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO CN1C[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CCC1=O ZINC001202155520 791401890 /nfs/dbraw/zinc/40/18/90/791401890.db2.gz ZOGAXQFRQBDBLT-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO CN1C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CCC1=O ZINC001202155522 791402036 /nfs/dbraw/zinc/40/20/36/791402036.db2.gz ZOGAXQFRQBDBLT-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)n(C)c1=O ZINC001202163244 791402173 /nfs/dbraw/zinc/40/21/73/791402173.db2.gz DUGIUEXAUFDNJP-GFCCVEGCSA-N 1 0 326.397 -1.073 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)n(C)c1=O ZINC001202163246 791402076 /nfs/dbraw/zinc/40/20/76/791402076.db2.gz DUGIUEXAUFDNJP-LBPRGKRZSA-N 1 0 326.397 -1.073 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 ZINC001202163284 791402328 /nfs/dbraw/zinc/40/23/28/791402328.db2.gz GADHXMNCISOXPR-NEPJUHHUSA-N 1 0 326.397 -1.075 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 ZINC001202163294 791401436 /nfs/dbraw/zinc/40/14/36/791401436.db2.gz GADHXMNCISOXPR-NWDGAFQWSA-N 1 0 326.397 -1.075 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 ZINC001202163295 791401772 /nfs/dbraw/zinc/40/17/72/791401772.db2.gz GADHXMNCISOXPR-RYUDHWBXSA-N 1 0 326.397 -1.075 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 ZINC001202163297 791401366 /nfs/dbraw/zinc/40/13/66/791401366.db2.gz GADHXMNCISOXPR-VXGBXAGGSA-N 1 0 326.397 -1.075 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001202163932 791402376 /nfs/dbraw/zinc/40/23/76/791402376.db2.gz KLFNMQCCELWHLO-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001202163933 791401827 /nfs/dbraw/zinc/40/18/27/791401827.db2.gz KLFNMQCCELWHLO-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001202163934 791401583 /nfs/dbraw/zinc/40/15/83/791401583.db2.gz KLFNMQCCELWHLO-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001202163935 791401779 /nfs/dbraw/zinc/40/17/79/791401779.db2.gz KLFNMQCCELWHLO-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1)C(N)=O ZINC001202163991 791402295 /nfs/dbraw/zinc/40/22/95/791402295.db2.gz LGTVZBZXWHAPHK-GHMZBOCLSA-N 1 0 339.396 -1.582 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1)C(N)=O ZINC001202163995 791401539 /nfs/dbraw/zinc/40/15/39/791401539.db2.gz LGTVZBZXWHAPHK-MNOVXSKESA-N 1 0 339.396 -1.582 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1)C(N)=O ZINC001202163997 791401470 /nfs/dbraw/zinc/40/14/70/791401470.db2.gz LGTVZBZXWHAPHK-QWRGUYRKSA-N 1 0 339.396 -1.582 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1)C(N)=O ZINC001202163998 791401438 /nfs/dbraw/zinc/40/14/38/791401438.db2.gz LGTVZBZXWHAPHK-WDEREUQCSA-N 1 0 339.396 -1.582 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 ZINC001202164987 791402312 /nfs/dbraw/zinc/40/23/12/791402312.db2.gz OAELKHSFGIHDPF-LLVKDONJSA-N 1 0 339.396 -1.710 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 ZINC001202164988 791402086 /nfs/dbraw/zinc/40/20/86/791402086.db2.gz OAELKHSFGIHDPF-NSHDSACASA-N 1 0 339.396 -1.710 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)n(C)c1=O ZINC001202165013 791401811 /nfs/dbraw/zinc/40/18/11/791401811.db2.gz OTAMKWWWHRWMEO-JTQLQIEISA-N 1 0 325.369 -1.970 20 0 EAADRO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)n(C)c1=O ZINC001202165014 791401321 /nfs/dbraw/zinc/40/13/21/791401321.db2.gz OTAMKWWWHRWMEO-SNVBAGLBSA-N 1 0 325.369 -1.970 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001202165477 791401391 /nfs/dbraw/zinc/40/13/91/791401391.db2.gz RAIVTZFIMPQSQQ-GHMZBOCLSA-N 1 0 335.426 -1.498 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001202165478 791401488 /nfs/dbraw/zinc/40/14/88/791401488.db2.gz RAIVTZFIMPQSQQ-MNOVXSKESA-N 1 0 335.426 -1.498 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001202165480 791401413 /nfs/dbraw/zinc/40/14/13/791401413.db2.gz RAIVTZFIMPQSQQ-QWRGUYRKSA-N 1 0 335.426 -1.498 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001202165481 791401940 /nfs/dbraw/zinc/40/19/40/791401940.db2.gz RAIVTZFIMPQSQQ-WDEREUQCSA-N 1 0 335.426 -1.498 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1)C(N)=O ZINC001202165566 791401686 /nfs/dbraw/zinc/40/16/86/791401686.db2.gz RTUVVRMBLCLRJL-NEPJUHHUSA-N 1 0 349.453 -1.108 20 0 EAADRO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1)C(N)=O ZINC001202165567 791402351 /nfs/dbraw/zinc/40/23/51/791402351.db2.gz RTUVVRMBLCLRJL-NWDGAFQWSA-N 1 0 349.453 -1.108 20 0 EAADRO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1)C(N)=O ZINC001202165569 791401402 /nfs/dbraw/zinc/40/14/02/791401402.db2.gz RTUVVRMBLCLRJL-RYUDHWBXSA-N 1 0 349.453 -1.108 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1)C(N)=O ZINC001202165570 791402049 /nfs/dbraw/zinc/40/20/49/791402049.db2.gz RTUVVRMBLCLRJL-VXGBXAGGSA-N 1 0 349.453 -1.108 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202165575 791401662 /nfs/dbraw/zinc/40/16/62/791401662.db2.gz RUSOQZORGXAALT-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202165577 791401876 /nfs/dbraw/zinc/40/18/76/791401876.db2.gz RUSOQZORGXAALT-NWDGAFQWSA-N 1 0 347.437 -1.483 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202165580 791401335 /nfs/dbraw/zinc/40/13/35/791401335.db2.gz RUSOQZORGXAALT-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202165581 791401668 /nfs/dbraw/zinc/40/16/68/791401668.db2.gz RUSOQZORGXAALT-VXGBXAGGSA-N 1 0 347.437 -1.483 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCCO1 ZINC001202173233 791402281 /nfs/dbraw/zinc/40/22/81/791402281.db2.gz HFCJYHYEIIJXQC-NEPJUHHUSA-N 1 0 349.453 -1.380 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCCO1 ZINC001202173237 791401698 /nfs/dbraw/zinc/40/16/98/791401698.db2.gz HFCJYHYEIIJXQC-NWDGAFQWSA-N 1 0 349.453 -1.380 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCCO1 ZINC001202173239 791401458 /nfs/dbraw/zinc/40/14/58/791401458.db2.gz HFCJYHYEIIJXQC-RYUDHWBXSA-N 1 0 349.453 -1.380 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCCO1 ZINC001202173241 791401760 /nfs/dbraw/zinc/40/17/60/791401760.db2.gz HFCJYHYEIIJXQC-VXGBXAGGSA-N 1 0 349.453 -1.380 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202173250 791403780 /nfs/dbraw/zinc/40/37/80/791403780.db2.gz HMFYACNFXORVSM-GHMZBOCLSA-N 1 0 335.426 -1.641 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202173252 791403291 /nfs/dbraw/zinc/40/32/91/791403291.db2.gz HMFYACNFXORVSM-MNOVXSKESA-N 1 0 335.426 -1.641 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202173253 791403834 /nfs/dbraw/zinc/40/38/34/791403834.db2.gz HMFYACNFXORVSM-QWRGUYRKSA-N 1 0 335.426 -1.641 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202173255 791402869 /nfs/dbraw/zinc/40/28/69/791402869.db2.gz HMFYACNFXORVSM-WDEREUQCSA-N 1 0 335.426 -1.641 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202173802 791403771 /nfs/dbraw/zinc/40/37/71/791403771.db2.gz MISIXSLZJHZKSA-CHWSQXEVSA-N 1 0 326.397 -1.310 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202173803 791402760 /nfs/dbraw/zinc/40/27/60/791402760.db2.gz MISIXSLZJHZKSA-QWHCGFSZSA-N 1 0 326.397 -1.310 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CCCO1 ZINC001202174526 791403362 /nfs/dbraw/zinc/40/33/62/791403362.db2.gz VSSJWTNOWUZROP-UONOGXRCSA-N 1 0 340.424 -1.050 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CCCO1 ZINC001202174527 791403080 /nfs/dbraw/zinc/40/30/80/791403080.db2.gz VSSJWTNOWUZROP-ZIAGYGMSSA-N 1 0 340.424 -1.050 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 ZINC001202182634 791403592 /nfs/dbraw/zinc/40/35/92/791403592.db2.gz HJAPSIAABFHYHF-JTQLQIEISA-N 1 0 335.364 -1.514 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 ZINC001202182635 791402879 /nfs/dbraw/zinc/40/28/79/791402879.db2.gz HJAPSIAABFHYHF-SNVBAGLBSA-N 1 0 335.364 -1.514 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 ZINC001202183632 791403176 /nfs/dbraw/zinc/40/31/76/791403176.db2.gz PDHPFEANVLTAML-LLVKDONJSA-N 1 0 349.391 -1.253 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 ZINC001202183633 791403193 /nfs/dbraw/zinc/40/31/93/791403193.db2.gz PDHPFEANVLTAML-NSHDSACASA-N 1 0 349.391 -1.253 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1)C(N)=O ZINC001202184493 791403095 /nfs/dbraw/zinc/40/30/95/791403095.db2.gz VASBKBBMYAZIGK-GHMZBOCLSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1)C(N)=O ZINC001202184494 791402829 /nfs/dbraw/zinc/40/28/29/791402829.db2.gz VASBKBBMYAZIGK-MNOVXSKESA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1)C(N)=O ZINC001202184495 791403320 /nfs/dbraw/zinc/40/33/20/791403320.db2.gz VASBKBBMYAZIGK-QWRGUYRKSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1)C(N)=O ZINC001202184497 791402979 /nfs/dbraw/zinc/40/29/79/791402979.db2.gz VASBKBBMYAZIGK-WDEREUQCSA-N 1 0 349.391 -1.125 20 0 EAADRO Cn1cc(OCC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)cn1 ZINC001202192226 791403721 /nfs/dbraw/zinc/40/37/21/791403721.db2.gz VQHNYYNHUXCUJQ-UHFFFAOYSA-N 1 0 338.368 -1.426 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 ZINC001202200180 791403756 /nfs/dbraw/zinc/40/37/56/791403756.db2.gz JMXLTKUZYPNKSA-GFCCVEGCSA-N 1 0 349.391 -1.253 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 ZINC001202200181 791402962 /nfs/dbraw/zinc/40/29/62/791402962.db2.gz JMXLTKUZYPNKSA-LBPRGKRZSA-N 1 0 349.391 -1.253 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1)C(N)=O ZINC001202200710 791403445 /nfs/dbraw/zinc/40/34/45/791403445.db2.gz QPPOTKFDFUAKCF-CMPLNLGQSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1)C(N)=O ZINC001202200711 791403707 /nfs/dbraw/zinc/40/37/07/791403707.db2.gz QPPOTKFDFUAKCF-JQWIXIFHSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1)C(N)=O ZINC001202200712 791403638 /nfs/dbraw/zinc/40/36/38/791403638.db2.gz QPPOTKFDFUAKCF-PWSUYJOCSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1)C(N)=O ZINC001202200713 791403428 /nfs/dbraw/zinc/40/34/28/791403428.db2.gz QPPOTKFDFUAKCF-ZYHUDNBSSA-N 1 0 349.391 -1.125 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOCCOC)CCCO1 ZINC001202201074 791403209 /nfs/dbraw/zinc/40/32/09/791403209.db2.gz WFJIOWFXKNUSIP-CYBMUJFWSA-N 1 0 331.413 -1.007 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCOCCOC)CCCO1 ZINC001202201075 791403746 /nfs/dbraw/zinc/40/37/46/791403746.db2.gz WFJIOWFXKNUSIP-ZDUSSCGKSA-N 1 0 331.413 -1.007 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 ZINC001202201241 791403262 /nfs/dbraw/zinc/40/32/62/791403262.db2.gz XFNNSLZYWWGIFY-LLVKDONJSA-N 1 0 335.364 -1.514 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 ZINC001202201242 791403332 /nfs/dbraw/zinc/40/33/32/791403332.db2.gz XFNNSLZYWWGIFY-NSHDSACASA-N 1 0 335.364 -1.514 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001202207446 791402946 /nfs/dbraw/zinc/40/29/46/791402946.db2.gz RDCBPSXADAIGLN-UHFFFAOYSA-N 1 0 336.352 -1.580 20 0 EAADRO CNC(=O)CCCCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202207610 791402767 /nfs/dbraw/zinc/40/27/67/791402767.db2.gz ASAOHQVOBIZBQN-GFCCVEGCSA-N 1 0 328.413 -1.015 20 0 EAADRO CNC(=O)CCCCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202207611 791402738 /nfs/dbraw/zinc/40/27/38/791402738.db2.gz ASAOHQVOBIZBQN-LBPRGKRZSA-N 1 0 328.413 -1.015 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001202207936 791403826 /nfs/dbraw/zinc/40/38/26/791403826.db2.gz VSLNWNKQQSDYBY-UHFFFAOYSA-N 1 0 343.409 -1.487 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)C(=O)NC(N)=O ZINC001202207963 791403466 /nfs/dbraw/zinc/40/34/66/791403466.db2.gz WWQAIYCCXSZDGB-MRVPVSSYSA-N 1 0 336.352 -1.453 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)C(=O)NC(N)=O ZINC001202207964 791403139 /nfs/dbraw/zinc/40/31/39/791403139.db2.gz WWQAIYCCXSZDGB-QMMMGPOBSA-N 1 0 336.352 -1.453 20 0 EAADRO CCCC[C@H](NC(N)=O)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202208587 791403655 /nfs/dbraw/zinc/40/36/55/791403655.db2.gz RINYSNKHAUSWLN-NEPJUHHUSA-N 1 0 343.428 -1.094 20 0 EAADRO CCCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202208588 791403512 /nfs/dbraw/zinc/40/35/12/791403512.db2.gz RINYSNKHAUSWLN-NWDGAFQWSA-N 1 0 343.428 -1.094 20 0 EAADRO CCCC[C@H](NC(N)=O)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202208589 791403665 /nfs/dbraw/zinc/40/36/65/791403665.db2.gz RINYSNKHAUSWLN-RYUDHWBXSA-N 1 0 343.428 -1.094 20 0 EAADRO CCCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202208590 791402992 /nfs/dbraw/zinc/40/29/92/791402992.db2.gz RINYSNKHAUSWLN-VXGBXAGGSA-N 1 0 343.428 -1.094 20 0 EAADRO CC(C)(CS(C)(=O)=O)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202208973 791402902 /nfs/dbraw/zinc/40/29/02/791402902.db2.gz ZLHVAHDQBBXJPG-LLVKDONJSA-N 1 0 349.453 -1.250 20 0 EAADRO CC(C)(CS(C)(=O)=O)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202208974 791403603 /nfs/dbraw/zinc/40/36/03/791403603.db2.gz ZLHVAHDQBBXJPG-NSHDSACASA-N 1 0 349.453 -1.250 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2)CCCO1 ZINC001202218428 791403403 /nfs/dbraw/zinc/40/34/03/791403403.db2.gz ZOMCNRLLYCQQCB-LLVKDONJSA-N 1 0 338.368 -1.715 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2ccnc2)CCCO1 ZINC001202218429 791403007 /nfs/dbraw/zinc/40/30/07/791403007.db2.gz ZOMCNRLLYCQQCB-NSHDSACASA-N 1 0 338.368 -1.715 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001202218433 791403623 /nfs/dbraw/zinc/40/36/23/791403623.db2.gz ZUJRDXMTFNHXAR-CYBMUJFWSA-N 1 0 331.413 -1.142 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001202218435 791402861 /nfs/dbraw/zinc/40/28/61/791402861.db2.gz ZUJRDXMTFNHXAR-ZDUSSCGKSA-N 1 0 331.413 -1.142 20 0 EAADRO Cc1nonc1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202225937 791403674 /nfs/dbraw/zinc/40/36/74/791403674.db2.gz BQOPKCDAKZBCCN-SECBINFHSA-N 1 0 340.340 -1.606 20 0 EAADRO Cc1nonc1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202225943 791403734 /nfs/dbraw/zinc/40/37/34/791403734.db2.gz BQOPKCDAKZBCCN-VIFPVBQESA-N 1 0 340.340 -1.606 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 ZINC001202225944 791403478 /nfs/dbraw/zinc/40/34/78/791403478.db2.gz BSGDKRNTORIUNE-GFCCVEGCSA-N 1 0 349.391 -1.253 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 ZINC001202225946 791403278 /nfs/dbraw/zinc/40/32/78/791403278.db2.gz BSGDKRNTORIUNE-LBPRGKRZSA-N 1 0 349.391 -1.253 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226126 791403375 /nfs/dbraw/zinc/40/33/75/791403375.db2.gz CVOAGTHQZYYHQH-NEPJUHHUSA-N 1 0 328.413 -1.016 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226128 791402723 /nfs/dbraw/zinc/40/27/23/791402723.db2.gz CVOAGTHQZYYHQH-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226129 791402748 /nfs/dbraw/zinc/40/27/48/791402748.db2.gz CVOAGTHQZYYHQH-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226131 791403545 /nfs/dbraw/zinc/40/35/45/791403545.db2.gz CVOAGTHQZYYHQH-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202226499 791403248 /nfs/dbraw/zinc/40/32/48/791403248.db2.gz FVSDANLZXZKWGB-JTQLQIEISA-N 1 0 343.384 -1.956 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202226500 791403819 /nfs/dbraw/zinc/40/38/19/791403819.db2.gz FVSDANLZXZKWGB-SNVBAGLBSA-N 1 0 343.384 -1.956 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226585 791403537 /nfs/dbraw/zinc/40/35/37/791403537.db2.gz HQBQREUVSZXVAE-CHWSQXEVSA-N 1 0 331.413 -1.144 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226586 791403106 /nfs/dbraw/zinc/40/31/06/791403106.db2.gz HQBQREUVSZXVAE-OLZOCXBDSA-N 1 0 331.413 -1.144 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226587 791403507 /nfs/dbraw/zinc/40/35/07/791403507.db2.gz HQBQREUVSZXVAE-QWHCGFSZSA-N 1 0 331.413 -1.144 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226588 791403307 /nfs/dbraw/zinc/40/33/07/791403307.db2.gz HQBQREUVSZXVAE-STQMWFEESA-N 1 0 331.413 -1.144 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 ZINC001202226808 791403388 /nfs/dbraw/zinc/40/33/88/791403388.db2.gz KKKAZCSNLJOUOQ-LLVKDONJSA-N 1 0 335.364 -1.514 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 ZINC001202226810 791403785 /nfs/dbraw/zinc/40/37/85/791403785.db2.gz KKKAZCSNLJOUOQ-NSHDSACASA-N 1 0 335.364 -1.514 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202226864 791404276 /nfs/dbraw/zinc/40/42/76/791404276.db2.gz LIXNHCPGYYWPKV-NEPJUHHUSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202226884 791405192 /nfs/dbraw/zinc/40/51/92/791405192.db2.gz LIXNHCPGYYWPKV-NWDGAFQWSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202226885 791404335 /nfs/dbraw/zinc/40/43/35/791404335.db2.gz LIXNHCPGYYWPKV-RYUDHWBXSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)CCCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202226887 791404901 /nfs/dbraw/zinc/40/49/01/791404901.db2.gz LIXNHCPGYYWPKV-VXGBXAGGSA-N 1 0 326.397 -1.262 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226893 791404518 /nfs/dbraw/zinc/40/45/18/791404518.db2.gz LOHZCJZMKRDBIB-GFCCVEGCSA-N 1 0 328.413 -1.015 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202226894 791405263 /nfs/dbraw/zinc/40/52/63/791405263.db2.gz LOHZCJZMKRDBIB-LBPRGKRZSA-N 1 0 328.413 -1.015 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202228034 791405001 /nfs/dbraw/zinc/40/50/01/791405001.db2.gz YOXFHTBSAMGYDZ-GFCCVEGCSA-N 1 0 349.453 -1.106 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202228035 791405059 /nfs/dbraw/zinc/40/50/59/791405059.db2.gz YOXFHTBSAMGYDZ-LBPRGKRZSA-N 1 0 349.453 -1.106 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1)C(N)=O ZINC001202228058 791404250 /nfs/dbraw/zinc/40/42/50/791404250.db2.gz YVGXWJDTXLIXCW-CMPLNLGQSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1)C(N)=O ZINC001202228059 791405074 /nfs/dbraw/zinc/40/50/74/791405074.db2.gz YVGXWJDTXLIXCW-JQWIXIFHSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1)C(N)=O ZINC001202228060 791404987 /nfs/dbraw/zinc/40/49/87/791404987.db2.gz YVGXWJDTXLIXCW-PWSUYJOCSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1)C(N)=O ZINC001202228061 791404304 /nfs/dbraw/zinc/40/43/04/791404304.db2.gz YVGXWJDTXLIXCW-ZYHUDNBSSA-N 1 0 349.391 -1.125 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202228070 791404433 /nfs/dbraw/zinc/40/44/33/791404433.db2.gz YWZSLWMJERLVOV-GFCCVEGCSA-N 1 0 328.413 -1.063 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCCO1 ZINC001202228071 791404887 /nfs/dbraw/zinc/40/48/87/791404887.db2.gz YWZSLWMJERLVOV-LBPRGKRZSA-N 1 0 328.413 -1.063 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)Nc1cnccn1 ZINC001202231221 791406326 /nfs/dbraw/zinc/40/63/26/791406326.db2.gz DHMQLMHJGPSNFG-LLVKDONJSA-N 1 0 347.379 -1.323 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)Nc1cnccn1 ZINC001202231222 791406073 /nfs/dbraw/zinc/40/60/73/791406073.db2.gz DHMQLMHJGPSNFG-NSHDSACASA-N 1 0 347.379 -1.323 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202231263 791405832 /nfs/dbraw/zinc/40/58/32/791405832.db2.gz FMDMGCPPYAIMCU-SECBINFHSA-N 1 0 326.357 -2.296 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202231264 791405763 /nfs/dbraw/zinc/40/57/63/791405763.db2.gz FMDMGCPPYAIMCU-VIFPVBQESA-N 1 0 326.357 -2.296 20 0 EAADRO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202231402 791406159 /nfs/dbraw/zinc/40/61/59/791406159.db2.gz KWXRQGNOMVLOIH-GFCCVEGCSA-N 1 0 341.412 -1.599 20 0 EAADRO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202231403 791406512 /nfs/dbraw/zinc/40/65/12/791406512.db2.gz KWXRQGNOMVLOIH-LBPRGKRZSA-N 1 0 341.412 -1.599 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202231463 791405665 /nfs/dbraw/zinc/40/56/65/791405665.db2.gz NBNCPKCUSOMKIT-JTQLQIEISA-N 1 0 340.384 -1.906 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202231464 791406091 /nfs/dbraw/zinc/40/60/91/791406091.db2.gz NBNCPKCUSOMKIT-SNVBAGLBSA-N 1 0 340.384 -1.906 20 0 EAADRO CN(CC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)S(C)(=O)=O ZINC001202231586 791406374 /nfs/dbraw/zinc/40/63/74/791406374.db2.gz SJESXGWHCGJUOU-LLVKDONJSA-N 1 0 347.441 -1.860 20 0 EAADRO CN(CC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)S(C)(=O)=O ZINC001202231587 791406110 /nfs/dbraw/zinc/40/61/10/791406110.db2.gz SJESXGWHCGJUOU-NSHDSACASA-N 1 0 347.441 -1.860 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202231615 791405862 /nfs/dbraw/zinc/40/58/62/791405862.db2.gz TULKWGSPFQSAKK-GFCCVEGCSA-N 1 0 341.412 -1.599 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202231617 791406144 /nfs/dbraw/zinc/40/61/44/791406144.db2.gz TULKWGSPFQSAKK-LBPRGKRZSA-N 1 0 341.412 -1.599 20 0 EAADRO O=C(CCNC(=O)[C@@H]1CCCO1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202233444 791406185 /nfs/dbraw/zinc/40/61/85/791406185.db2.gz APFFWWUVBLNWLM-KBPBESRZSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CCNC(=O)[C@@H]1CCCO1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202233503 791405643 /nfs/dbraw/zinc/40/56/43/791405643.db2.gz APFFWWUVBLNWLM-KGLIPLIRSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CCNC(=O)[C@H]1CCCO1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202233510 791406458 /nfs/dbraw/zinc/40/64/58/791406458.db2.gz APFFWWUVBLNWLM-UONOGXRCSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CCNC(=O)[C@H]1CCCO1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202233531 791405538 /nfs/dbraw/zinc/40/55/38/791405538.db2.gz APFFWWUVBLNWLM-ZIAGYGMSSA-N 1 0 343.424 -1.129 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1)C(N)=O ZINC001202234782 791405780 /nfs/dbraw/zinc/40/57/80/791405780.db2.gz HPLBDPINPHEMCV-AAEUAGOBSA-N 1 0 338.412 -1.171 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1)C(N)=O ZINC001202234787 791405585 /nfs/dbraw/zinc/40/55/85/791405585.db2.gz HPLBDPINPHEMCV-DGCLKSJQSA-N 1 0 338.412 -1.171 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1)C(N)=O ZINC001202234789 791406047 /nfs/dbraw/zinc/40/60/47/791406047.db2.gz HPLBDPINPHEMCV-WCQYABFASA-N 1 0 338.412 -1.171 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1)C(N)=O ZINC001202234792 791405853 /nfs/dbraw/zinc/40/58/53/791405853.db2.gz HPLBDPINPHEMCV-YPMHNXCESA-N 1 0 338.412 -1.171 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 ZINC001202235736 791405841 /nfs/dbraw/zinc/40/58/41/791405841.db2.gz MIIUAUBKHUUMIU-CYBMUJFWSA-N 1 0 338.412 -1.299 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 ZINC001202235737 791406313 /nfs/dbraw/zinc/40/63/13/791406313.db2.gz MIIUAUBKHUUMIU-ZDUSSCGKSA-N 1 0 338.412 -1.299 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 ZINC001202235755 791405630 /nfs/dbraw/zinc/40/56/30/791405630.db2.gz NCLSXBJTNDNCPT-MNOVXSKESA-N 1 0 327.385 -1.778 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 ZINC001202235758 791406229 /nfs/dbraw/zinc/40/62/29/791406229.db2.gz NCLSXBJTNDNCPT-QWRGUYRKSA-N 1 0 327.385 -1.778 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 ZINC001202236155 791406499 /nfs/dbraw/zinc/40/64/99/791406499.db2.gz QEDSQRKEAZGSHC-NEPJUHHUSA-N 1 0 341.412 -1.517 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 ZINC001202236156 791406342 /nfs/dbraw/zinc/40/63/42/791406342.db2.gz QEDSQRKEAZGSHC-RYUDHWBXSA-N 1 0 341.412 -1.517 20 0 EAADRO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202238312 791406382 /nfs/dbraw/zinc/40/63/82/791406382.db2.gz BQIOXCIYUIJSFP-CYBMUJFWSA-N 1 0 341.412 -1.599 20 0 EAADRO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202238313 791406417 /nfs/dbraw/zinc/40/64/17/791406417.db2.gz BQIOXCIYUIJSFP-ZDUSSCGKSA-N 1 0 341.412 -1.599 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202238367 791406497 /nfs/dbraw/zinc/40/64/97/791406497.db2.gz DHACBQIWWFEKAV-JTQLQIEISA-N 1 0 333.414 -2.202 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202238368 791405900 /nfs/dbraw/zinc/40/59/00/791405900.db2.gz DHACBQIWWFEKAV-SNVBAGLBSA-N 1 0 333.414 -2.202 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202238399 791405925 /nfs/dbraw/zinc/40/59/25/791405925.db2.gz DZQSVGDYTOBYQO-LLVKDONJSA-N 1 0 347.441 -1.812 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202238400 791405573 /nfs/dbraw/zinc/40/55/73/791405573.db2.gz DZQSVGDYTOBYQO-NSHDSACASA-N 1 0 347.441 -1.812 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202238466 791405655 /nfs/dbraw/zinc/40/56/55/791405655.db2.gz HLLFEFBAYWFTKA-GFCCVEGCSA-N 1 0 340.428 -1.044 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202238467 791405713 /nfs/dbraw/zinc/40/57/13/791405713.db2.gz HLLFEFBAYWFTKA-LBPRGKRZSA-N 1 0 340.428 -1.044 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)Nc1ccon1 ZINC001202238578 791405694 /nfs/dbraw/zinc/40/56/94/791405694.db2.gz HRSZSQLOFVZLHF-JTQLQIEISA-N 1 0 336.352 -1.125 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)Nc1ccon1 ZINC001202238579 791406395 /nfs/dbraw/zinc/40/63/95/791406395.db2.gz HRSZSQLOFVZLHF-SNVBAGLBSA-N 1 0 336.352 -1.125 20 0 EAADRO C[C@@H](C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)CS(C)(=O)=O ZINC001202238789 791406039 /nfs/dbraw/zinc/40/60/39/791406039.db2.gz MBUBQXSWQHYIDB-CMPLNLGQSA-N 1 0 346.453 -1.071 20 0 EAADRO C[C@@H](C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)CS(C)(=O)=O ZINC001202238790 791406027 /nfs/dbraw/zinc/40/60/27/791406027.db2.gz MBUBQXSWQHYIDB-JQWIXIFHSA-N 1 0 346.453 -1.071 20 0 EAADRO C[C@H](C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)CS(C)(=O)=O ZINC001202238791 791406367 /nfs/dbraw/zinc/40/63/67/791406367.db2.gz MBUBQXSWQHYIDB-PWSUYJOCSA-N 1 0 346.453 -1.071 20 0 EAADRO C[C@H](C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)CS(C)(=O)=O ZINC001202238792 791406180 /nfs/dbraw/zinc/40/61/80/791406180.db2.gz MBUBQXSWQHYIDB-ZYHUDNBSSA-N 1 0 346.453 -1.071 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202239120 791405947 /nfs/dbraw/zinc/40/59/47/791405947.db2.gz RJULAOADZJBYDE-PSASIEDQSA-N 1 0 340.384 -1.908 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202239138 791406169 /nfs/dbraw/zinc/40/61/69/791406169.db2.gz RJULAOADZJBYDE-SCZZXKLOSA-N 1 0 340.384 -1.908 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202239139 791405717 /nfs/dbraw/zinc/40/57/17/791405717.db2.gz RJULAOADZJBYDE-WCBMZHEXSA-N 1 0 340.384 -1.908 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202239140 791406472 /nfs/dbraw/zinc/40/64/72/791406472.db2.gz RJULAOADZJBYDE-WPRPVWTQSA-N 1 0 340.384 -1.908 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001202239158 791405978 /nfs/dbraw/zinc/40/59/78/791405978.db2.gz RXSHQBUBKJBTOS-CHWSQXEVSA-N 1 0 336.396 -1.494 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001202239160 791406410 /nfs/dbraw/zinc/40/64/10/791406410.db2.gz RXSHQBUBKJBTOS-OLZOCXBDSA-N 1 0 336.396 -1.494 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001202239161 791405807 /nfs/dbraw/zinc/40/58/07/791405807.db2.gz RXSHQBUBKJBTOS-QWHCGFSZSA-N 1 0 336.396 -1.494 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001202239163 791406480 /nfs/dbraw/zinc/40/64/80/791406480.db2.gz RXSHQBUBKJBTOS-STQMWFEESA-N 1 0 336.396 -1.494 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202239220 791405554 /nfs/dbraw/zinc/40/55/54/791405554.db2.gz TXHUQFAADUANAP-LLVKDONJSA-N 1 0 332.426 -1.317 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202239221 791405817 /nfs/dbraw/zinc/40/58/17/791405817.db2.gz TXHUQFAADUANAP-NSHDSACASA-N 1 0 332.426 -1.317 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202239291 791406361 /nfs/dbraw/zinc/40/63/61/791406361.db2.gz VRQFHFNXQGHFAW-CHWSQXEVSA-N 1 0 344.412 -1.728 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202239292 791406122 /nfs/dbraw/zinc/40/61/22/791406122.db2.gz VRQFHFNXQGHFAW-OLZOCXBDSA-N 1 0 344.412 -1.728 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202239293 791405823 /nfs/dbraw/zinc/40/58/23/791405823.db2.gz VRQFHFNXQGHFAW-QWHCGFSZSA-N 1 0 344.412 -1.728 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202239294 791406212 /nfs/dbraw/zinc/40/62/12/791406212.db2.gz VRQFHFNXQGHFAW-STQMWFEESA-N 1 0 344.412 -1.728 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202239337 791405932 /nfs/dbraw/zinc/40/59/32/791405932.db2.gz WXUOUBHQGRJDKF-APPZFPTMSA-N 1 0 326.357 -2.168 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202239338 791405870 /nfs/dbraw/zinc/40/58/70/791405870.db2.gz WXUOUBHQGRJDKF-CBAPKCEASA-N 1 0 326.357 -2.168 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202239339 791406259 /nfs/dbraw/zinc/40/62/59/791406259.db2.gz WXUOUBHQGRJDKF-IONNQARKSA-N 1 0 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NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC001202252244 791405040 /nfs/dbraw/zinc/40/50/40/791405040.db2.gz YFVMUKPZNXSPFI-UHFFFAOYSA-N 1 0 349.413 -2.169 20 0 EAADRO NS(=O)(=O)CCCC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001202252329 791404946 /nfs/dbraw/zinc/40/49/46/791404946.db2.gz ZWHQDNPZKOUSHR-UHFFFAOYSA-N 1 0 346.453 -1.132 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1 ZINC001202260242 791404553 /nfs/dbraw/zinc/40/45/53/791404553.db2.gz VKHXGKZVBLZNOO-LLVKDONJSA-N 1 0 335.364 -1.514 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1 ZINC001202260243 791405087 /nfs/dbraw/zinc/40/50/87/791405087.db2.gz VKHXGKZVBLZNOO-NSHDSACASA-N 1 0 335.364 -1.514 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202260341 791404955 /nfs/dbraw/zinc/40/49/55/791404955.db2.gz BHEDPNFZBVPHNR-UHFFFAOYSA-N 1 0 332.426 -1.618 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1)C(N)=O ZINC001202260420 791404692 /nfs/dbraw/zinc/40/46/92/791404692.db2.gz WGTOLBVPMKNFEF-CMPLNLGQSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1)C(N)=O ZINC001202260421 791404763 /nfs/dbraw/zinc/40/47/63/791404763.db2.gz WGTOLBVPMKNFEF-JQWIXIFHSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1)C(N)=O ZINC001202260422 791404502 /nfs/dbraw/zinc/40/45/02/791404502.db2.gz WGTOLBVPMKNFEF-PWSUYJOCSA-N 1 0 349.391 -1.125 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1)C(N)=O ZINC001202260423 791404748 /nfs/dbraw/zinc/40/47/48/791404748.db2.gz WGTOLBVPMKNFEF-ZYHUDNBSSA-N 1 0 349.391 -1.125 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202260799 791404726 /nfs/dbraw/zinc/40/47/26/791404726.db2.gz KHQUJJMBALSKKV-CYBMUJFWSA-N 1 0 343.424 -1.144 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202260801 791404976 /nfs/dbraw/zinc/40/49/76/791404976.db2.gz KHQUJJMBALSKKV-ZDUSSCGKSA-N 1 0 343.424 -1.144 20 0 EAADRO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202261229 791404169 /nfs/dbraw/zinc/40/41/69/791404169.db2.gz UBMURBIGBZFSHS-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202261268 791404489 /nfs/dbraw/zinc/40/44/89/791404489.db2.gz VDVHSVANEFQGAG-UHFFFAOYSA-N 1 0 346.453 -1.228 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202261283 791405177 /nfs/dbraw/zinc/40/51/77/791405177.db2.gz WCHTVPFOJVXIMU-SECBINFHSA-N 1 0 339.396 -1.323 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202261284 791404737 /nfs/dbraw/zinc/40/47/37/791404737.db2.gz WCHTVPFOJVXIMU-VIFPVBQESA-N 1 0 339.396 -1.323 20 0 EAADRO CN(CC[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1)S(C)(=O)=O ZINC001202261290 791404577 /nfs/dbraw/zinc/40/45/77/791404577.db2.gz WJAVHHCIDFPWIQ-UHFFFAOYSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1)C(=O)NC(N)=O ZINC001202261365 791404441 /nfs/dbraw/zinc/40/44/41/791404441.db2.gz ZTDXRFMYAZSTNS-MRVPVSSYSA-N 1 0 325.369 -1.584 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1)C(=O)NC(N)=O ZINC001202261366 791405606 /nfs/dbraw/zinc/40/56/06/791405606.db2.gz ZTDXRFMYAZSTNS-QMMMGPOBSA-N 1 0 325.369 -1.584 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202272769 791405988 /nfs/dbraw/zinc/40/59/88/791405988.db2.gz ADDRVAJAQLJXRJ-LLVKDONJSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202272770 791406003 /nfs/dbraw/zinc/40/60/03/791406003.db2.gz ADDRVAJAQLJXRJ-NSHDSACASA-N 1 0 328.413 -1.016 20 0 EAADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202272822 791406135 /nfs/dbraw/zinc/40/61/35/791406135.db2.gz BOOOFRPUKFYYKY-SECBINFHSA-N 1 0 343.384 -2.087 20 0 EAADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202272823 791406423 /nfs/dbraw/zinc/40/64/23/791406423.db2.gz BOOOFRPUKFYYKY-VIFPVBQESA-N 1 0 343.384 -2.087 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]CC(=O)NCC(=O)N2CCCC2)CC1 ZINC001202272999 791405507 /nfs/dbraw/zinc/40/55/07/791405507.db2.gz FTCSBPWLAZZLRP-UHFFFAOYSA-N 1 0 339.396 -2.209 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001202273034 791405682 /nfs/dbraw/zinc/40/56/82/791405682.db2.gz HICMWSIDKYSEEF-GFCCVEGCSA-N 1 0 329.397 -1.391 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001202273035 791406129 /nfs/dbraw/zinc/40/61/29/791406129.db2.gz HICMWSIDKYSEEF-LBPRGKRZSA-N 1 0 329.397 -1.391 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)NC[C@H]1CCCO1 ZINC001202273066 791406015 /nfs/dbraw/zinc/40/60/15/791406015.db2.gz IREWQBAUEPIEEB-CMPLNLGQSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001202273067 791406221 /nfs/dbraw/zinc/40/62/21/791406221.db2.gz IREWQBAUEPIEEB-JQWIXIFHSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001202273068 791406305 /nfs/dbraw/zinc/40/63/05/791406305.db2.gz IREWQBAUEPIEEB-PWSUYJOCSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)NC[C@H]1CCCO1 ZINC001202273069 791405676 /nfs/dbraw/zinc/40/56/76/791405676.db2.gz IREWQBAUEPIEEB-ZYHUDNBSSA-N 1 0 326.397 -1.264 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202273269 791405771 /nfs/dbraw/zinc/40/57/71/791405771.db2.gz NBPSHINSFLHHSD-UHFFFAOYSA-N 1 0 341.412 -1.963 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001202273279 791406061 /nfs/dbraw/zinc/40/60/61/791406061.db2.gz NKEXWFADVPLVKL-JTQLQIEISA-N 1 0 326.353 -2.438 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001202273280 791406203 /nfs/dbraw/zinc/40/62/03/791406203.db2.gz NKEXWFADVPLVKL-SNVBAGLBSA-N 1 0 326.353 -2.438 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]C2CCN(C(=O)C(N)=O)CC2)C1=O ZINC001202273507 791405706 /nfs/dbraw/zinc/40/57/06/791405706.db2.gz PDOSUINQBSTBTL-UHFFFAOYSA-N 1 0 339.396 -1.227 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC001202273521 791405527 /nfs/dbraw/zinc/40/55/27/791405527.db2.gz PRQDGOKISWYQGO-CHWSQXEVSA-N 1 0 329.397 -1.391 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC001202273522 791405651 /nfs/dbraw/zinc/40/56/51/791405651.db2.gz PRQDGOKISWYQGO-OLZOCXBDSA-N 1 0 329.397 -1.391 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC001202273523 791406390 /nfs/dbraw/zinc/40/63/90/791406390.db2.gz PRQDGOKISWYQGO-QWHCGFSZSA-N 1 0 329.397 -1.391 20 0 EAADRO NC(=O)C(=O)N1CCC([NH2+]C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC001202273524 791405518 /nfs/dbraw/zinc/40/55/18/791405518.db2.gz PRQDGOKISWYQGO-STQMWFEESA-N 1 0 329.397 -1.391 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001202273568 791406242 /nfs/dbraw/zinc/40/62/42/791406242.db2.gz QGRSJGSTKUQJRV-SECBINFHSA-N 1 0 327.385 -2.355 20 0 EAADRO C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001202273586 791405612 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CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202274066 791406099 /nfs/dbraw/zinc/40/60/99/791406099.db2.gz XPWLDFGTDODYKW-VIFPVBQESA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001202274072 791406020 /nfs/dbraw/zinc/40/60/20/791406020.db2.gz XURAQCLCICJJOZ-MRVPVSSYSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C(N)=O)CC1)C(=O)NC(=O)NC1CC1 ZINC001202274079 791405621 /nfs/dbraw/zinc/40/56/21/791405621.db2.gz XURAQCLCICJJOZ-QMMMGPOBSA-N 1 0 325.369 -1.571 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202274092 791406286 /nfs/dbraw/zinc/40/62/86/791406286.db2.gz XYZXVKYTNBINAN-UHFFFAOYSA-N 1 0 336.396 -1.556 20 0 EAADRO CC(C)OCCCNC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202274132 791407776 /nfs/dbraw/zinc/40/77/76/791407776.db2.gz YUBHLVNMUGTZCY-UHFFFAOYSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202301649 791406919 /nfs/dbraw/zinc/40/69/19/791406919.db2.gz FVLXXJYXJXYPMM-ZDUSSCGKSA-N 1 0 336.396 -1.477 20 0 EAADRO COCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001202303827 791407641 /nfs/dbraw/zinc/40/76/41/791407641.db2.gz VYAKQDRZHPUMSV-NEPJUHHUSA-N 1 0 338.408 -1.392 20 0 EAADRO COCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001202303828 791407033 /nfs/dbraw/zinc/40/70/33/791407033.db2.gz VYAKQDRZHPUMSV-NWDGAFQWSA-N 1 0 338.408 -1.392 20 0 EAADRO COCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001202303829 791407696 /nfs/dbraw/zinc/40/76/96/791407696.db2.gz VYAKQDRZHPUMSV-RYUDHWBXSA-N 1 0 338.408 -1.392 20 0 EAADRO COCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C12CCC2 ZINC001202303830 791407456 /nfs/dbraw/zinc/40/74/56/791407456.db2.gz VYAKQDRZHPUMSV-VXGBXAGGSA-N 1 0 338.408 -1.392 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1)C(=O)NC(N)=O ZINC001202324507 791407348 /nfs/dbraw/zinc/40/73/48/791407348.db2.gz UXFGUBQKTONDEH-MRVPVSSYSA-N 1 0 338.368 -1.097 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1)C(=O)NC(N)=O ZINC001202324508 791407168 /nfs/dbraw/zinc/40/71/68/791407168.db2.gz UXFGUBQKTONDEH-QMMMGPOBSA-N 1 0 338.368 -1.097 20 0 EAADRO Cn1cc(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)[nH]c1=O ZINC001202324538 791406816 /nfs/dbraw/zinc/40/68/16/791406816.db2.gz VGWHXHJTOWINFU-UHFFFAOYSA-N 1 0 345.425 -1.131 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001202330931 791407396 /nfs/dbraw/zinc/40/73/96/791407396.db2.gz LDWUKAKBSSYDCF-UHFFFAOYSA-N 1 0 338.368 -1.225 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202336837 791406978 /nfs/dbraw/zinc/40/69/78/791406978.db2.gz MIORLYJZOBFQAX-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202336838 791407666 /nfs/dbraw/zinc/40/76/66/791407666.db2.gz MIORLYJZOBFQAX-NWDGAFQWSA-N 1 0 346.453 -1.311 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202336839 791407769 /nfs/dbraw/zinc/40/77/69/791407769.db2.gz MIORLYJZOBFQAX-RYUDHWBXSA-N 1 0 346.453 -1.311 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202336840 791407483 /nfs/dbraw/zinc/40/74/83/791407483.db2.gz MIORLYJZOBFQAX-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202340398 791407606 /nfs/dbraw/zinc/40/76/06/791407606.db2.gz KHCBVTBICLNJCS-GHMZBOCLSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202340401 791407197 /nfs/dbraw/zinc/40/71/97/791407197.db2.gz KHCBVTBICLNJCS-MNOVXSKESA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202340403 791407687 /nfs/dbraw/zinc/40/76/87/791407687.db2.gz KHCBVTBICLNJCS-QWRGUYRKSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202340408 791407506 /nfs/dbraw/zinc/40/75/06/791407506.db2.gz KHCBVTBICLNJCS-WDEREUQCSA-N 1 0 336.396 -1.239 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 ZINC001202351137 791407746 /nfs/dbraw/zinc/40/77/46/791407746.db2.gz CFVBGBXODJOIOJ-GHMZBOCLSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 ZINC001202351138 791407712 /nfs/dbraw/zinc/40/77/12/791407712.db2.gz CFVBGBXODJOIOJ-MNOVXSKESA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 ZINC001202351139 791406748 /nfs/dbraw/zinc/40/67/48/791406748.db2.gz CFVBGBXODJOIOJ-QWRGUYRKSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 ZINC001202351140 791407072 /nfs/dbraw/zinc/40/70/72/791407072.db2.gz CFVBGBXODJOIOJ-WDEREUQCSA-N 1 0 339.396 -1.405 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202353426 791407390 /nfs/dbraw/zinc/40/73/90/791407390.db2.gz QTTSAMFAJNKMGL-NXEZZACHSA-N 1 0 325.369 -1.666 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202353427 791407782 /nfs/dbraw/zinc/40/77/82/791407782.db2.gz QTTSAMFAJNKMGL-UWVGGRQHSA-N 1 0 325.369 -1.666 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202353429 791406839 /nfs/dbraw/zinc/40/68/39/791406839.db2.gz QTTSAMFAJNKMGL-VHSXEESVSA-N 1 0 325.369 -1.666 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202353430 791407489 /nfs/dbraw/zinc/40/74/89/791407489.db2.gz QTTSAMFAJNKMGL-ZJUUUORDSA-N 1 0 325.369 -1.666 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202371405 791407636 /nfs/dbraw/zinc/40/76/36/791407636.db2.gz FIFKPASLDRHHDH-PSLIRLAXSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202371406 791407519 /nfs/dbraw/zinc/40/75/19/791407519.db2.gz FIFKPASLDRHHDH-VFZGTOFNSA-N 1 0 339.396 -1.181 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC001202371599 791407797 /nfs/dbraw/zinc/40/77/97/791407797.db2.gz GGIGTYIJJIHIFY-HNNXBMFYSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@]1(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CCC(=O)N1 ZINC001202372351 791407723 /nfs/dbraw/zinc/40/77/23/791407723.db2.gz QXRJJHLBMPVUMV-AWEZNQCLSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@]1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCC(=O)N1 ZINC001202372573 791406908 /nfs/dbraw/zinc/40/69/08/791406908.db2.gz SXBBDLPPVRWADA-AWEZNQCLSA-N 1 0 325.369 -1.569 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2)NC1CC1 ZINC001202382053 791407580 /nfs/dbraw/zinc/40/75/80/791407580.db2.gz DOYOGCNNNNSTBQ-NEPJUHHUSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2)NC1CC1 ZINC001202382063 791407540 /nfs/dbraw/zinc/40/75/40/791407540.db2.gz DOYOGCNNNNSTBQ-NWDGAFQWSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2)NC1CC1 ZINC001202382068 791407182 /nfs/dbraw/zinc/40/71/82/791407182.db2.gz DOYOGCNNNNSTBQ-RYUDHWBXSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2)NC1CC1 ZINC001202382073 791407603 /nfs/dbraw/zinc/40/76/03/791407603.db2.gz DOYOGCNNNNSTBQ-VXGBXAGGSA-N 1 0 333.396 -1.031 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202382194 791407377 /nfs/dbraw/zinc/40/73/77/791407377.db2.gz FARWHHVFEVIQOO-BDAKNGLRSA-N 1 0 336.356 -2.115 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202382206 791407090 /nfs/dbraw/zinc/40/70/90/791407090.db2.gz FARWHHVFEVIQOO-DTWKUNHWSA-N 1 0 336.356 -2.115 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202382208 791406781 /nfs/dbraw/zinc/40/67/81/791406781.db2.gz FARWHHVFEVIQOO-IUCAKERBSA-N 1 0 336.356 -2.115 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202382215 791406854 /nfs/dbraw/zinc/40/68/54/791406854.db2.gz FARWHHVFEVIQOO-RKDXNWHRSA-N 1 0 336.356 -2.115 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202385007 791406898 /nfs/dbraw/zinc/40/68/98/791406898.db2.gz WMGCUQVIIMFRJV-GHMZBOCLSA-N 1 0 342.425 -1.265 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202385008 791407654 /nfs/dbraw/zinc/40/76/54/791407654.db2.gz WMGCUQVIIMFRJV-MNOVXSKESA-N 1 0 342.425 -1.265 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202385009 791407736 /nfs/dbraw/zinc/40/77/36/791407736.db2.gz WMGCUQVIIMFRJV-QWRGUYRKSA-N 1 0 342.425 -1.265 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 ZINC001202385010 791407740 /nfs/dbraw/zinc/40/77/40/791407740.db2.gz WMGCUQVIIMFRJV-WDEREUQCSA-N 1 0 342.425 -1.265 20 0 EAADRO COC[C@@H](OC)C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001202387479 791407464 /nfs/dbraw/zinc/40/74/64/791407464.db2.gz FGKDTTRUOIFXON-GXSJLCMTSA-N 1 0 330.385 -1.188 20 0 EAADRO COC[C@H](OC)C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001202387675 791406864 /nfs/dbraw/zinc/40/68/64/791406864.db2.gz FGKDTTRUOIFXON-KOLCDFICSA-N 1 0 330.385 -1.188 20 0 EAADRO COC[C@@H](OC)C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001202387676 791407650 /nfs/dbraw/zinc/40/76/50/791407650.db2.gz FGKDTTRUOIFXON-MWLCHTKSSA-N 1 0 330.385 -1.188 20 0 EAADRO COC[C@H](OC)C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001202387678 791406722 /nfs/dbraw/zinc/40/67/22/791406722.db2.gz FGKDTTRUOIFXON-ONGXEEELSA-N 1 0 330.385 -1.188 20 0 EAADRO COC[C@@H](OC)C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001202415592 791407750 /nfs/dbraw/zinc/40/77/50/791407750.db2.gz UKRFTMWWVRYERM-LLVKDONJSA-N 1 0 327.385 -1.150 20 0 EAADRO COC[C@H](OC)C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001202415593 791407527 /nfs/dbraw/zinc/40/75/27/791407527.db2.gz UKRFTMWWVRYERM-NSHDSACASA-N 1 0 327.385 -1.150 20 0 EAADRO COC[C@@H](OC)C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001202421939 791408880 /nfs/dbraw/zinc/40/88/80/791408880.db2.gz KOLYSLUFFNCJFW-GFCCVEGCSA-N 1 0 342.396 -1.220 20 0 EAADRO COC[C@H](OC)C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001202421943 791408601 /nfs/dbraw/zinc/40/86/01/791408601.db2.gz KOLYSLUFFNCJFW-LBPRGKRZSA-N 1 0 342.396 -1.220 20 0 EAADRO COC[C@@H](OC)C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202422606 791408847 /nfs/dbraw/zinc/40/88/47/791408847.db2.gz PNDOZIWVJJMGTM-GFCCVEGCSA-N 1 0 337.442 -1.222 20 0 EAADRO COC[C@H](OC)C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202422607 791409030 /nfs/dbraw/zinc/40/90/30/791409030.db2.gz PNDOZIWVJJMGTM-LBPRGKRZSA-N 1 0 337.442 -1.222 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](COC)OC)CC1 ZINC001202422908 791408482 /nfs/dbraw/zinc/40/84/82/791408482.db2.gz QLAGJORAXCNHPF-LLVKDONJSA-N 1 0 330.385 -1.316 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H](COC)OC)CC1 ZINC001202422909 791408189 /nfs/dbraw/zinc/40/81/89/791408189.db2.gz QLAGJORAXCNHPF-NSHDSACASA-N 1 0 330.385 -1.316 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202426715 791408494 /nfs/dbraw/zinc/40/84/94/791408494.db2.gz CDUIWHRLEFMTNX-BDAKNGLRSA-N 1 0 340.384 -1.873 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202426717 791408802 /nfs/dbraw/zinc/40/88/02/791408802.db2.gz CDUIWHRLEFMTNX-DTWKUNHWSA-N 1 0 340.384 -1.873 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202426718 791408871 /nfs/dbraw/zinc/40/88/71/791408871.db2.gz CDUIWHRLEFMTNX-IUCAKERBSA-N 1 0 340.384 -1.873 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202426719 791409094 /nfs/dbraw/zinc/40/90/94/791409094.db2.gz CDUIWHRLEFMTNX-RKDXNWHRSA-N 1 0 340.384 -1.873 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202428021 791409088 /nfs/dbraw/zinc/40/90/88/791409088.db2.gz ITYLOYMCBIUDLR-NXEZZACHSA-N 1 0 347.441 -1.779 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202428022 791409422 /nfs/dbraw/zinc/40/94/22/791409422.db2.gz ITYLOYMCBIUDLR-UWVGGRQHSA-N 1 0 347.441 -1.779 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202428023 791408465 /nfs/dbraw/zinc/40/84/65/791408465.db2.gz ITYLOYMCBIUDLR-VHSXEESVSA-N 1 0 347.441 -1.779 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202428024 791408489 /nfs/dbraw/zinc/40/84/89/791408489.db2.gz ITYLOYMCBIUDLR-ZJUUUORDSA-N 1 0 347.441 -1.779 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001202428976 791409562 /nfs/dbraw/zinc/40/95/62/791409562.db2.gz NNRQNUVGYRXWLM-GHMZBOCLSA-N 1 0 338.412 -1.303 20 0 EAADRO NC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001202428977 791409429 /nfs/dbraw/zinc/40/94/29/791409429.db2.gz NNRQNUVGYRXWLM-MNOVXSKESA-N 1 0 338.412 -1.303 20 0 EAADRO NC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001202428978 791408694 /nfs/dbraw/zinc/40/86/94/791408694.db2.gz NNRQNUVGYRXWLM-QWRGUYRKSA-N 1 0 338.412 -1.303 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001202428979 791408922 /nfs/dbraw/zinc/40/89/22/791408922.db2.gz NNRQNUVGYRXWLM-WDEREUQCSA-N 1 0 338.412 -1.303 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202429044 791408162 /nfs/dbraw/zinc/40/81/62/791408162.db2.gz ONMPTQPEHYHTQW-NXEZZACHSA-N 1 0 332.426 -1.284 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202429045 791408930 /nfs/dbraw/zinc/40/89/30/791408930.db2.gz ONMPTQPEHYHTQW-UWVGGRQHSA-N 1 0 332.426 -1.284 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202429046 791408647 /nfs/dbraw/zinc/40/86/47/791408647.db2.gz ONMPTQPEHYHTQW-VHSXEESVSA-N 1 0 332.426 -1.284 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 ZINC001202429047 791408210 /nfs/dbraw/zinc/40/82/10/791408210.db2.gz ONMPTQPEHYHTQW-ZJUUUORDSA-N 1 0 332.426 -1.284 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)CNC(N)=O)C23CCC3)nc1=O ZINC001202430274 791408651 /nfs/dbraw/zinc/40/86/51/791408651.db2.gz VFMNDKIVSFWQQF-BDAKNGLRSA-N 1 0 337.384 -1.706 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CNC(N)=O)C23CCC3)nc1=O ZINC001202430278 791409186 /nfs/dbraw/zinc/40/91/86/791409186.db2.gz VFMNDKIVSFWQQF-DTWKUNHWSA-N 1 0 337.384 -1.706 20 0 EAADRO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CNC(N)=O)C23CCC3)nc1=O ZINC001202430280 791409301 /nfs/dbraw/zinc/40/93/01/791409301.db2.gz VFMNDKIVSFWQQF-IUCAKERBSA-N 1 0 337.384 -1.706 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)CNC(N)=O)C23CCC3)nc1=O ZINC001202430281 791408295 /nfs/dbraw/zinc/40/82/95/791408295.db2.gz VFMNDKIVSFWQQF-RKDXNWHRSA-N 1 0 337.384 -1.706 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202430494 791408813 /nfs/dbraw/zinc/40/88/13/791408813.db2.gz VMOLKHGHGGFWLT-HTQZYQBOSA-N 1 0 326.357 -2.133 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202430495 791409343 /nfs/dbraw/zinc/40/93/43/791409343.db2.gz VMOLKHGHGGFWLT-JGVFFNPUSA-N 1 0 326.357 -2.133 20 0 EAADRO NC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202430496 791408676 /nfs/dbraw/zinc/40/86/76/791408676.db2.gz VMOLKHGHGGFWLT-SFYZADRCSA-N 1 0 326.357 -2.133 20 0 EAADRO NC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202430497 791408741 /nfs/dbraw/zinc/40/87/41/791408741.db2.gz VMOLKHGHGGFWLT-YUMQZZPRSA-N 1 0 326.357 -2.133 20 0 EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202439197 791409522 /nfs/dbraw/zinc/40/95/22/791409522.db2.gz LQUWTRQXHUZOOU-UHFFFAOYSA-N 1 0 331.398 -1.366 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001202439202 791409434 /nfs/dbraw/zinc/40/94/34/791409434.db2.gz LWNQJBFZRQGPGT-UHFFFAOYSA-N 1 0 344.397 -2.003 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001202439833 791408519 /nfs/dbraw/zinc/40/85/19/791408519.db2.gz VFHFVXOHDKZRJN-UHFFFAOYSA-N 1 0 331.398 -1.102 20 0 EAADRO Cn1c(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)cccc1=O ZINC001202440074 791409083 /nfs/dbraw/zinc/40/90/83/791409083.db2.gz YPJZYCSIKZOYDB-UHFFFAOYSA-N 1 0 335.364 -1.226 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 ZINC001202457065 791409367 /nfs/dbraw/zinc/40/93/67/791409367.db2.gz WRSUUOBFXPEILO-LLVKDONJSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC001202457066 791408700 /nfs/dbraw/zinc/40/87/00/791408700.db2.gz WRSUUOBFXPEILO-NSHDSACASA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC001202466631 791409352 /nfs/dbraw/zinc/40/93/52/791409352.db2.gz USLADQORYKKEST-UHFFFAOYSA-N 1 0 337.336 -1.232 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202478079 791410974 /nfs/dbraw/zinc/41/09/74/791410974.db2.gz BEIMPLQPZRILBF-FRRDWIJNSA-N 1 0 329.397 -1.393 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202478080 791411266 /nfs/dbraw/zinc/41/12/66/791411266.db2.gz BEIMPLQPZRILBF-RWMBFGLXSA-N 1 0 329.397 -1.393 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202478130 791410676 /nfs/dbraw/zinc/41/06/76/791410676.db2.gz CMLFQPPSUQUBDL-ADEWGFFLSA-N 1 0 326.397 -1.266 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202478134 791410603 /nfs/dbraw/zinc/41/06/03/791410603.db2.gz CMLFQPPSUQUBDL-ZMLRMANQSA-N 1 0 326.397 -1.266 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202478574 791410681 /nfs/dbraw/zinc/41/06/81/791410681.db2.gz DXJPHNNCZBCPBG-NWDGAFQWSA-N 1 0 326.397 -1.264 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202478585 791411367 /nfs/dbraw/zinc/41/13/67/791411367.db2.gz FFWREWUSXDUHGW-NWDGAFQWSA-N 1 0 347.437 -1.356 20 0 EAADRO C[C@]1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCNC1=O ZINC001202478634 791409979 /nfs/dbraw/zinc/40/99/79/791409979.db2.gz HMKMBRDZFWWVPF-AWEZNQCLSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@@]1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCNC1=O ZINC001202478635 791411148 /nfs/dbraw/zinc/41/11/48/791411148.db2.gz HMKMBRDZFWWVPF-CQSZACIVSA-N 1 0 325.369 -1.712 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202479590 791410716 /nfs/dbraw/zinc/41/07/16/791410716.db2.gz MHXXZDOGMPGQGS-VHSXEESVSA-N 1 0 341.368 -2.205 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001202479672 791411376 /nfs/dbraw/zinc/41/13/76/791411376.db2.gz NISNUOMVCRUPJC-QWHCGFSZSA-N 1 0 340.424 -1.051 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CC3)CC2)O1 ZINC001202479827 791410785 /nfs/dbraw/zinc/41/07/85/791410785.db2.gz PAFUBVJWKIUKPI-QWHCGFSZSA-N 1 0 338.408 -1.122 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001202479843 791411316 /nfs/dbraw/zinc/41/13/16/791411316.db2.gz PFCVDYSJBQEVQM-NWDGAFQWSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@]1(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CCNC1=O ZINC001202480133 791410533 /nfs/dbraw/zinc/41/05/33/791410533.db2.gz RHVUPGAERZVUSF-AWEZNQCLSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@]1(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CCNC1=O ZINC001202480134 791410494 /nfs/dbraw/zinc/41/04/94/791410494.db2.gz RHVUPGAERZVUSF-CQSZACIVSA-N 1 0 346.453 -1.358 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)O1 ZINC001202480175 791410109 /nfs/dbraw/zinc/41/01/09/791410109.db2.gz TUNPKSNRCDEYTO-QWHCGFSZSA-N 1 0 329.397 -1.391 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC001202480479 791410727 /nfs/dbraw/zinc/41/07/27/791410727.db2.gz WUIDHXCZZHERKU-HNNXBMFYSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC001202480480 791410451 /nfs/dbraw/zinc/41/04/51/791410451.db2.gz WUIDHXCZZHERKU-OAHLLOKOSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1)C(=O)NC(N)=O ZINC001202480685 791410781 /nfs/dbraw/zinc/41/07/81/791410781.db2.gz ZTFGGQNTKSCZEC-BJOHPYRUSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1)C(=O)NC(N)=O ZINC001202480687 791410500 /nfs/dbraw/zinc/41/05/00/791410500.db2.gz ZTFGGQNTKSCZEC-PSLIRLAXSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1)C(=O)NC(N)=O ZINC001202480692 791411098 /nfs/dbraw/zinc/41/10/98/791411098.db2.gz ZTFGGQNTKSCZEC-RFAUZJTJSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1)C(=O)NC(N)=O ZINC001202480694 791410723 /nfs/dbraw/zinc/41/07/23/791410723.db2.gz ZTFGGQNTKSCZEC-VFZGTOFNSA-N 1 0 339.396 -1.323 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cncn2)C12CCC2 ZINC001202481274 791412385 /nfs/dbraw/zinc/41/23/85/791412385.db2.gz RBIMTWUUFVNJIF-GHMZBOCLSA-N 1 0 349.395 -1.120 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CCn2cncn2)C12CCC2 ZINC001202481275 791412045 /nfs/dbraw/zinc/41/20/45/791412045.db2.gz RBIMTWUUFVNJIF-MNOVXSKESA-N 1 0 349.395 -1.120 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cncn2)C12CCC2 ZINC001202481276 791412438 /nfs/dbraw/zinc/41/24/38/791412438.db2.gz RBIMTWUUFVNJIF-QWRGUYRKSA-N 1 0 349.395 -1.120 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cncn2)C12CCC2 ZINC001202481277 791411954 /nfs/dbraw/zinc/41/19/54/791411954.db2.gz RBIMTWUUFVNJIF-WDEREUQCSA-N 1 0 349.395 -1.120 20 0 EAADRO Cn1ncc(CCC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)n1 ZINC001202517906 791434709 /nfs/dbraw/zinc/43/47/09/791434709.db2.gz CNPLPODKOJCRSM-UHFFFAOYSA-N 1 0 337.384 -1.477 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001202518002 791434551 /nfs/dbraw/zinc/43/45/51/791434551.db2.gz HKBCRKPLSLBVAV-MCIONIFRSA-N 1 0 335.408 -1.054 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001202518003 791434125 /nfs/dbraw/zinc/43/41/25/791434125.db2.gz HKBCRKPLSLBVAV-MJBXVCDLSA-N 1 0 335.408 -1.054 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001202518217 791434751 /nfs/dbraw/zinc/43/47/51/791434751.db2.gz PPNMFTLNZXOEKG-ZJUUUORDSA-N 1 0 339.396 -1.337 20 0 EAADRO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202526257 791437658 /nfs/dbraw/zinc/43/76/58/791437658.db2.gz BTQDSBXLUMMCHE-KGLIPLIRSA-N 1 0 340.424 -1.159 20 0 EAADRO CN(CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1)S(C)(=O)=O ZINC001202526270 791437872 /nfs/dbraw/zinc/43/78/72/791437872.db2.gz CLBLZWGSWWJTSC-NEPJUHHUSA-N 1 0 346.453 -1.420 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001202526776 791438943 /nfs/dbraw/zinc/43/89/43/791438943.db2.gz OUNDJGHRDMXIID-UHFFFAOYSA-N 1 0 336.352 -1.497 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1)C(=O)NC(N)=O ZINC001202526779 791438480 /nfs/dbraw/zinc/43/84/80/791438480.db2.gz OVTVHABCKGJPKP-QNSHHTMESA-N 1 0 325.369 -1.728 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1)C(=O)NC(N)=O ZINC001202526780 791438716 /nfs/dbraw/zinc/43/87/16/791438716.db2.gz OVTVHABCKGJPKP-SFGNSQDASA-N 1 0 325.369 -1.728 20 0 EAADRO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202526891 791438458 /nfs/dbraw/zinc/43/84/58/791438458.db2.gz SOFHQFFUSZNJHE-MCIONIFRSA-N 1 0 343.424 -1.288 20 0 EAADRO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202526892 791439068 /nfs/dbraw/zinc/43/90/68/791439068.db2.gz SOFHQFFUSZNJHE-MJBXVCDLSA-N 1 0 343.424 -1.288 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202526974 791438903 /nfs/dbraw/zinc/43/89/03/791438903.db2.gz UCAWSXSICIOJOV-GDPRMGEGSA-N 1 0 339.396 -1.468 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202526976 791439042 /nfs/dbraw/zinc/43/90/42/791439042.db2.gz UCAWSXSICIOJOV-IEBDPFPHSA-N 1 0 339.396 -1.468 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202526995 791439084 /nfs/dbraw/zinc/43/90/84/791439084.db2.gz USEPCCRVOSEPHZ-NEPJUHHUSA-N 1 0 346.453 -1.372 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202527152 791440130 /nfs/dbraw/zinc/44/01/30/791440130.db2.gz YXZWFMJMTGKEOA-MNOVXSKESA-N 1 0 332.426 -1.762 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202531709 791443516 /nfs/dbraw/zinc/44/35/16/791443516.db2.gz LWDHZDGAHVEMEF-ZJUUUORDSA-N 1 0 325.369 -1.856 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202532191 791443455 /nfs/dbraw/zinc/44/34/55/791443455.db2.gz UOUSAPJDKYGQNE-OLZOCXBDSA-N 1 0 340.424 -1.159 20 0 EAADRO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202532210 791443479 /nfs/dbraw/zinc/44/34/79/791443479.db2.gz VIPMSXGHGKEMKX-OLZOCXBDSA-N 1 0 340.424 -1.159 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001202532484 791443599 /nfs/dbraw/zinc/44/35/99/791443599.db2.gz YQLRHGYAJDWHMC-MNOVXSKESA-N 1 0 339.396 -1.466 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202533502 791446941 /nfs/dbraw/zinc/44/69/41/791446941.db2.gz KXZKVWNMRZBYPY-GHMZBOCLSA-N 1 0 339.396 -1.323 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202533503 791446623 /nfs/dbraw/zinc/44/66/23/791446623.db2.gz KXZKVWNMRZBYPY-MNOVXSKESA-N 1 0 339.396 -1.323 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202533504 791446694 /nfs/dbraw/zinc/44/66/94/791446694.db2.gz KXZKVWNMRZBYPY-QWRGUYRKSA-N 1 0 339.396 -1.323 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202533505 791447087 /nfs/dbraw/zinc/44/70/87/791447087.db2.gz KXZKVWNMRZBYPY-WDEREUQCSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CCc2cn[nH]n2)CC1)C(=O)NC(N)=O ZINC001202552706 791449556 /nfs/dbraw/zinc/44/95/56/791449556.db2.gz PZFJVUXHHCDFGE-SECBINFHSA-N 1 0 337.384 -1.099 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CCc2cn[nH]n2)CC1)C(=O)NC(N)=O ZINC001202552707 791449594 /nfs/dbraw/zinc/44/95/94/791449594.db2.gz PZFJVUXHHCDFGE-VIFPVBQESA-N 1 0 337.384 -1.099 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001202552728 791449630 /nfs/dbraw/zinc/44/96/30/791449630.db2.gz QTFHONBUJNIRKB-UHFFFAOYSA-N 1 0 344.441 -1.133 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001202553558 791450212 /nfs/dbraw/zinc/45/02/12/791450212.db2.gz ZXPLUVMIENSXCQ-UHFFFAOYSA-N 1 0 337.384 -1.227 20 0 EAADRO COC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202554078 791450447 /nfs/dbraw/zinc/45/04/47/791450447.db2.gz VZVPNNDZRXQYHK-BDAKNGLRSA-N 1 0 341.368 -1.446 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202554079 791450478 /nfs/dbraw/zinc/45/04/78/791450478.db2.gz VZVPNNDZRXQYHK-DTWKUNHWSA-N 1 0 341.368 -1.446 20 0 EAADRO COC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202554080 791450323 /nfs/dbraw/zinc/45/03/23/791450323.db2.gz VZVPNNDZRXQYHK-IUCAKERBSA-N 1 0 341.368 -1.446 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202554081 791450510 /nfs/dbraw/zinc/45/05/10/791450510.db2.gz VZVPNNDZRXQYHK-RKDXNWHRSA-N 1 0 341.368 -1.446 20 0 EAADRO CS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202573402 791450485 /nfs/dbraw/zinc/45/04/85/791450485.db2.gz LMFNRHSBTSTVSY-BDAKNGLRSA-N 1 0 346.409 -1.757 20 0 EAADRO CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202573405 791451020 /nfs/dbraw/zinc/45/10/20/791451020.db2.gz LMFNRHSBTSTVSY-DTWKUNHWSA-N 1 0 346.409 -1.757 20 0 EAADRO CS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202573406 791451559 /nfs/dbraw/zinc/45/15/59/791451559.db2.gz LMFNRHSBTSTVSY-IUCAKERBSA-N 1 0 346.409 -1.757 20 0 EAADRO CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202573407 791451201 /nfs/dbraw/zinc/45/12/01/791451201.db2.gz LMFNRHSBTSTVSY-RKDXNWHRSA-N 1 0 346.409 -1.757 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001202575593 791451566 /nfs/dbraw/zinc/45/15/66/791451566.db2.gz QXAJYBOAVBCKLA-LLVKDONJSA-N 1 0 335.412 -1.048 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001202575594 791451065 /nfs/dbraw/zinc/45/10/65/791451065.db2.gz QXAJYBOAVBCKLA-NSHDSACASA-N 1 0 335.412 -1.048 20 0 EAADRO C[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)[C@H]1CCC(=O)N1 ZINC001202584245 791451419 /nfs/dbraw/zinc/45/14/19/791451419.db2.gz LEVBJBCPZICAME-GXSJLCMTSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)[C@@H]1CCC(=O)N1 ZINC001202584246 791451148 /nfs/dbraw/zinc/45/11/48/791451148.db2.gz LEVBJBCPZICAME-KOLCDFICSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)[C@H]1CCC(=O)N1 ZINC001202584247 791451614 /nfs/dbraw/zinc/45/16/14/791451614.db2.gz LEVBJBCPZICAME-MWLCHTKSSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)[C@@H]1CCC(=O)N1 ZINC001202584248 791451502 /nfs/dbraw/zinc/45/15/02/791451502.db2.gz LEVBJBCPZICAME-ONGXEEELSA-N 1 0 339.396 -1.323 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202612475 791451573 /nfs/dbraw/zinc/45/15/73/791451573.db2.gz BHMGIBPXGSVNEU-LLVKDONJSA-N 1 0 327.385 -1.323 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202612477 791450946 /nfs/dbraw/zinc/45/09/46/791450946.db2.gz BHMGIBPXGSVNEU-NSHDSACASA-N 1 0 327.385 -1.323 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001202613505 791451351 /nfs/dbraw/zinc/45/13/51/791451351.db2.gz PSTHVUSGOSRRPR-GFCCVEGCSA-N 1 0 341.412 -1.063 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001202613506 791451536 /nfs/dbraw/zinc/45/15/36/791451536.db2.gz PSTHVUSGOSRRPR-LBPRGKRZSA-N 1 0 341.412 -1.063 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202626978 791451207 /nfs/dbraw/zinc/45/12/07/791451207.db2.gz XJVUOXMQYRURNY-NXEZZACHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202626980 791451621 /nfs/dbraw/zinc/45/16/21/791451621.db2.gz XJVUOXMQYRURNY-UWVGGRQHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202626982 791450929 /nfs/dbraw/zinc/45/09/29/791450929.db2.gz XJVUOXMQYRURNY-VHSXEESVSA-N 1 0 339.396 -1.276 20 0 EAADRO CCC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202626984 791451373 /nfs/dbraw/zinc/45/13/73/791451373.db2.gz XJVUOXMQYRURNY-ZJUUUORDSA-N 1 0 339.396 -1.276 20 0 EAADRO Cc1c(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nnn1C ZINC001202642180 791451169 /nfs/dbraw/zinc/45/11/69/791451169.db2.gz FZIGXNRDPHHWHB-NXEZZACHSA-N 1 0 349.395 -1.051 20 0 EAADRO Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nnn1C ZINC001202642184 791450872 /nfs/dbraw/zinc/45/08/72/791450872.db2.gz FZIGXNRDPHHWHB-UWVGGRQHSA-N 1 0 349.395 -1.051 20 0 EAADRO Cc1c(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nnn1C ZINC001202642185 791451530 /nfs/dbraw/zinc/45/15/30/791451530.db2.gz FZIGXNRDPHHWHB-VHSXEESVSA-N 1 0 349.395 -1.051 20 0 EAADRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nnn1C ZINC001202642187 791451412 /nfs/dbraw/zinc/45/14/12/791451412.db2.gz FZIGXNRDPHHWHB-ZJUUUORDSA-N 1 0 349.395 -1.051 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2nccnc2N)C12CCC2 ZINC001202642729 791451298 /nfs/dbraw/zinc/45/12/98/791451298.db2.gz JBDCYYQIBNKAMV-BDAKNGLRSA-N 1 0 347.379 -1.116 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2nccnc2N)C12CCC2 ZINC001202642731 791451173 /nfs/dbraw/zinc/45/11/73/791451173.db2.gz JBDCYYQIBNKAMV-DTWKUNHWSA-N 1 0 347.379 -1.116 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nccnc2N)C12CCC2 ZINC001202642732 791451011 /nfs/dbraw/zinc/45/10/11/791451011.db2.gz JBDCYYQIBNKAMV-IUCAKERBSA-N 1 0 347.379 -1.116 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2nccnc2N)C12CCC2 ZINC001202642733 791451275 /nfs/dbraw/zinc/45/12/75/791451275.db2.gz JBDCYYQIBNKAMV-RKDXNWHRSA-N 1 0 347.379 -1.116 20 0 EAADRO COCCOCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202657217 791452686 /nfs/dbraw/zinc/45/26/86/791452686.db2.gz ZHVGAIRLCBLKPF-GHMZBOCLSA-N 1 0 342.396 -1.139 20 0 EAADRO COCCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202657218 791452755 /nfs/dbraw/zinc/45/27/55/791452755.db2.gz ZHVGAIRLCBLKPF-MNOVXSKESA-N 1 0 342.396 -1.139 20 0 EAADRO COCCOCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202657219 791452665 /nfs/dbraw/zinc/45/26/65/791452665.db2.gz ZHVGAIRLCBLKPF-QWRGUYRKSA-N 1 0 342.396 -1.139 20 0 EAADRO COCCOCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202657220 791452741 /nfs/dbraw/zinc/45/27/41/791452741.db2.gz ZHVGAIRLCBLKPF-WDEREUQCSA-N 1 0 342.396 -1.139 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202662612 791452445 /nfs/dbraw/zinc/45/24/45/791452445.db2.gz AACSGQWPDKROFL-BDAKNGLRSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202662613 791452457 /nfs/dbraw/zinc/45/24/57/791452457.db2.gz AACSGQWPDKROFL-DTWKUNHWSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202662614 791452157 /nfs/dbraw/zinc/45/21/57/791452157.db2.gz AACSGQWPDKROFL-IUCAKERBSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202662615 791452511 /nfs/dbraw/zinc/45/25/11/791452511.db2.gz AACSGQWPDKROFL-RKDXNWHRSA-N 1 0 325.369 -1.666 20 0 EAADRO NC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C12CCC2 ZINC001202663943 791452606 /nfs/dbraw/zinc/45/26/06/791452606.db2.gz MSNSHTGWGWHXJJ-NEPJUHHUSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C12CCC2 ZINC001202663946 791452426 /nfs/dbraw/zinc/45/24/26/791452426.db2.gz MSNSHTGWGWHXJJ-NWDGAFQWSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C12CCC2 ZINC001202663951 791452558 /nfs/dbraw/zinc/45/25/58/791452558.db2.gz MSNSHTGWGWHXJJ-RYUDHWBXSA-N 1 0 338.408 -1.262 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C12CCC2 ZINC001202663957 791452451 /nfs/dbraw/zinc/45/24/51/791452451.db2.gz MSNSHTGWGWHXJJ-VXGBXAGGSA-N 1 0 338.408 -1.262 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202664020 791452227 /nfs/dbraw/zinc/45/22/27/791452227.db2.gz NFXCGDVIWGJHJQ-NXEZZACHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202664021 791452714 /nfs/dbraw/zinc/45/27/14/791452714.db2.gz NFXCGDVIWGJHJQ-UWVGGRQHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202664030 791452751 /nfs/dbraw/zinc/45/27/51/791452751.db2.gz NFXCGDVIWGJHJQ-VHSXEESVSA-N 1 0 339.396 -1.276 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202664033 791452592 /nfs/dbraw/zinc/45/25/92/791452592.db2.gz NFXCGDVIWGJHJQ-ZJUUUORDSA-N 1 0 339.396 -1.276 20 0 EAADRO CN(CC[NH2+][C@@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2)S(C)(=O)=O ZINC001202665481 791452341 /nfs/dbraw/zinc/45/23/41/791452341.db2.gz TXIMOFBAVCCEOT-GHMZBOCLSA-N 1 0 346.453 -1.230 20 0 EAADRO CN(CC[NH2+][C@@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2)S(C)(=O)=O ZINC001202665483 791452563 /nfs/dbraw/zinc/45/25/63/791452563.db2.gz TXIMOFBAVCCEOT-MNOVXSKESA-N 1 0 346.453 -1.230 20 0 EAADRO CN(CC[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2)S(C)(=O)=O ZINC001202665485 791452469 /nfs/dbraw/zinc/45/24/69/791452469.db2.gz TXIMOFBAVCCEOT-QWRGUYRKSA-N 1 0 346.453 -1.230 20 0 EAADRO CN(CC[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2)S(C)(=O)=O ZINC001202665487 791452488 /nfs/dbraw/zinc/45/24/88/791452488.db2.gz TXIMOFBAVCCEOT-WDEREUQCSA-N 1 0 346.453 -1.230 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202666733 791452765 /nfs/dbraw/zinc/45/27/65/791452765.db2.gz BDHMVDSSBQHHCZ-MRVPVSSYSA-N 1 0 349.413 -2.300 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202666750 791452275 /nfs/dbraw/zinc/45/22/75/791452275.db2.gz BDHMVDSSBQHHCZ-QMMMGPOBSA-N 1 0 349.413 -2.300 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001202667294 791452816 /nfs/dbraw/zinc/45/28/16/791452816.db2.gz HUXYMKYXHMUBEX-LLVKDONJSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001202667296 791452619 /nfs/dbraw/zinc/45/26/19/791452619.db2.gz HUXYMKYXHMUBEX-NSHDSACASA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001202667376 791452776 /nfs/dbraw/zinc/45/27/76/791452776.db2.gz JCQPVHMFOGGJJL-LLVKDONJSA-N 1 0 337.442 -1.486 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001202667378 791452391 /nfs/dbraw/zinc/45/23/91/791452391.db2.gz JCQPVHMFOGGJJL-NSHDSACASA-N 1 0 337.442 -1.486 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001202667804 791452186 /nfs/dbraw/zinc/45/21/86/791452186.db2.gz NFMOZLWLSJDXQK-CMPLNLGQSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001202667813 791452371 /nfs/dbraw/zinc/45/23/71/791452371.db2.gz NFMOZLWLSJDXQK-JQWIXIFHSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001202667815 791452472 /nfs/dbraw/zinc/45/24/72/791452472.db2.gz NFMOZLWLSJDXQK-PWSUYJOCSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001202667816 791452009 /nfs/dbraw/zinc/45/20/09/791452009.db2.gz NFMOZLWLSJDXQK-ZYHUDNBSSA-N 1 0 337.442 -1.488 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001202668125 791452635 /nfs/dbraw/zinc/45/26/35/791452635.db2.gz QLGDTZGGUMFTMU-CMPLNLGQSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001202668130 791452610 /nfs/dbraw/zinc/45/26/10/791452610.db2.gz QLGDTZGGUMFTMU-JQWIXIFHSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001202668132 791452677 /nfs/dbraw/zinc/45/26/77/791452677.db2.gz QLGDTZGGUMFTMU-PWSUYJOCSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001202668133 791451977 /nfs/dbraw/zinc/45/19/77/791451977.db2.gz QLGDTZGGUMFTMU-ZYHUDNBSSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001202668676 791452727 /nfs/dbraw/zinc/45/27/27/791452727.db2.gz UHVVDPKGJPTFEP-NXEZZACHSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001202668681 791452045 /nfs/dbraw/zinc/45/20/45/791452045.db2.gz UHVVDPKGJPTFEP-UWVGGRQHSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001202668682 791452530 /nfs/dbraw/zinc/45/25/30/791452530.db2.gz UHVVDPKGJPTFEP-VHSXEESVSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001202668684 791452195 /nfs/dbraw/zinc/45/21/95/791452195.db2.gz UHVVDPKGJPTFEP-ZJUUUORDSA-N 1 0 334.442 -1.361 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001202668720 791452737 /nfs/dbraw/zinc/45/27/37/791452737.db2.gz UZLXMUNDRBLLDM-GHMZBOCLSA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1)C(=O)N(C)C ZINC001202668722 791452520 /nfs/dbraw/zinc/45/25/20/791452520.db2.gz UZLXMUNDRBLLDM-MNOVXSKESA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001202668724 791452203 /nfs/dbraw/zinc/45/22/03/791452203.db2.gz UZLXMUNDRBLLDM-QWRGUYRKSA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001202668726 791452601 /nfs/dbraw/zinc/45/26/01/791452601.db2.gz UZLXMUNDRBLLDM-WDEREUQCSA-N 1 0 348.469 -1.019 20 0 EAADRO CC[C@@H]([NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1)C(N)=O ZINC001202668765 791452336 /nfs/dbraw/zinc/45/23/36/791452336.db2.gz WBOAGUMJFZVUQO-GXSJLCMTSA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@H]([NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1)C(N)=O ZINC001202668773 791452615 /nfs/dbraw/zinc/45/26/15/791452615.db2.gz WBOAGUMJFZVUQO-KOLCDFICSA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1)C(N)=O ZINC001202668774 791452479 /nfs/dbraw/zinc/45/24/79/791452479.db2.gz WBOAGUMJFZVUQO-MWLCHTKSSA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@H]([NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1)C(N)=O ZINC001202668776 791452526 /nfs/dbraw/zinc/45/25/26/791452526.db2.gz WBOAGUMJFZVUQO-ONGXEEELSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001202669066 791452628 /nfs/dbraw/zinc/45/26/28/791452628.db2.gz WKAATNYQROKSGC-JTQLQIEISA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001202669067 791452701 /nfs/dbraw/zinc/45/27/01/791452701.db2.gz WKAATNYQROKSGC-SNVBAGLBSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC001202669098 791452116 /nfs/dbraw/zinc/45/21/16/791452116.db2.gz XMTSNNOJWXHDIH-JTQLQIEISA-N 1 0 344.441 -1.167 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC001202669099 791452705 /nfs/dbraw/zinc/45/27/05/791452705.db2.gz XMTSNNOJWXHDIH-SNVBAGLBSA-N 1 0 344.441 -1.167 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2 ZINC001202671819 791452710 /nfs/dbraw/zinc/45/27/10/791452710.db2.gz BSOVYZOSBUFEOS-NXEZZACHSA-N 1 0 337.380 -1.569 20 0 EAADRO NC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2 ZINC001202671820 791452438 /nfs/dbraw/zinc/45/24/38/791452438.db2.gz BSOVYZOSBUFEOS-UWVGGRQHSA-N 1 0 337.380 -1.569 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2 ZINC001202671821 791452135 /nfs/dbraw/zinc/45/21/35/791452135.db2.gz BSOVYZOSBUFEOS-VHSXEESVSA-N 1 0 337.380 -1.569 20 0 EAADRO NC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C12CCC2 ZINC001202671822 791452463 /nfs/dbraw/zinc/45/24/63/791452463.db2.gz BSOVYZOSBUFEOS-ZJUUUORDSA-N 1 0 337.380 -1.569 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001202673072 791452792 /nfs/dbraw/zinc/45/27/92/791452792.db2.gz FHAVWNCZYXTUNC-LLVKDONJSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001202673073 791452385 /nfs/dbraw/zinc/45/23/85/791452385.db2.gz FHAVWNCZYXTUNC-NSHDSACASA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001202673090 791452568 /nfs/dbraw/zinc/45/25/68/791452568.db2.gz FQCADZMYNKGLRP-JTQLQIEISA-N 1 0 344.441 -1.167 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001202673091 791452813 /nfs/dbraw/zinc/45/28/13/791452813.db2.gz FQCADZMYNKGLRP-SNVBAGLBSA-N 1 0 344.441 -1.167 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC001202673109 791452744 /nfs/dbraw/zinc/45/27/44/791452744.db2.gz GMAKNOQWLNJJDJ-JTQLQIEISA-N 1 0 344.441 -1.167 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC001202673110 791452357 /nfs/dbraw/zinc/45/23/57/791452357.db2.gz GMAKNOQWLNJJDJ-SNVBAGLBSA-N 1 0 344.441 -1.167 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC001202673177 791452730 /nfs/dbraw/zinc/45/27/30/791452730.db2.gz IZQWWJKYCUXGMX-JTQLQIEISA-N 1 0 344.441 -1.167 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC001202673178 791452802 /nfs/dbraw/zinc/45/28/02/791452802.db2.gz IZQWWJKYCUXGMX-SNVBAGLBSA-N 1 0 344.441 -1.167 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202673629 791452290 /nfs/dbraw/zinc/45/22/90/791452290.db2.gz OJYCMOCVHAXBPG-GHMZBOCLSA-N 1 0 346.453 -1.182 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202673639 791452808 /nfs/dbraw/zinc/45/28/08/791452808.db2.gz OJYCMOCVHAXBPG-MNOVXSKESA-N 1 0 346.453 -1.182 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202673640 791452647 /nfs/dbraw/zinc/45/26/47/791452647.db2.gz OJYCMOCVHAXBPG-QWRGUYRKSA-N 1 0 346.453 -1.182 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202673641 791452681 /nfs/dbraw/zinc/45/26/81/791452681.db2.gz OJYCMOCVHAXBPG-WDEREUQCSA-N 1 0 346.453 -1.182 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001202673858 791452248 /nfs/dbraw/zinc/45/22/48/791452248.db2.gz NDFIGZQTMAWMRD-JTQLQIEISA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001202673878 791452658 /nfs/dbraw/zinc/45/26/58/791452658.db2.gz NDFIGZQTMAWMRD-SNVBAGLBSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001202673942 791452588 /nfs/dbraw/zinc/45/25/88/791452588.db2.gz OJCASNOFMOYFNO-GXSJLCMTSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001202673950 791452699 /nfs/dbraw/zinc/45/26/99/791452699.db2.gz OJCASNOFMOYFNO-KOLCDFICSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001202673952 791452774 /nfs/dbraw/zinc/45/27/74/791452774.db2.gz OJCASNOFMOYFNO-MWLCHTKSSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001202673954 791452550 /nfs/dbraw/zinc/45/25/50/791452550.db2.gz OJCASNOFMOYFNO-ONGXEEELSA-N 1 0 332.426 -1.607 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC001202674289 791452402 /nfs/dbraw/zinc/45/24/02/791452402.db2.gz RTVNRLDYXNHXII-JTQLQIEISA-N 1 0 344.441 -1.167 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC001202674291 791452414 /nfs/dbraw/zinc/45/24/14/791452414.db2.gz RTVNRLDYXNHXII-SNVBAGLBSA-N 1 0 344.441 -1.167 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001202674961 791452505 /nfs/dbraw/zinc/45/25/05/791452505.db2.gz WGSVZBTWIHTUNZ-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001202674964 791452029 /nfs/dbraw/zinc/45/20/29/791452029.db2.gz WGSVZBTWIHTUNZ-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001202675020 791452693 /nfs/dbraw/zinc/45/26/93/791452693.db2.gz WTLIYERWNQEOMB-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001202675029 791452377 /nfs/dbraw/zinc/45/23/77/791452377.db2.gz WTLIYERWNQEOMB-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001202675384 791453491 /nfs/dbraw/zinc/45/34/91/791453491.db2.gz YQLRQDFKXPNNBV-CMPLNLGQSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001202675386 791453877 /nfs/dbraw/zinc/45/38/77/791453877.db2.gz YQLRQDFKXPNNBV-JQWIXIFHSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001202675388 791453322 /nfs/dbraw/zinc/45/33/22/791453322.db2.gz YQLRQDFKXPNNBV-PWSUYJOCSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001202675391 791453516 /nfs/dbraw/zinc/45/35/16/791453516.db2.gz YQLRQDFKXPNNBV-ZYHUDNBSSA-N 1 0 346.453 -1.217 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202675454 791454126 /nfs/dbraw/zinc/45/41/26/791454126.db2.gz VLWVMSQLWDLVGH-NXEZZACHSA-N 1 0 332.426 -1.572 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001202675494 791453426 /nfs/dbraw/zinc/45/34/26/791453426.db2.gz ZYCQQFDMRJQJDX-SECBINFHSA-N 1 0 345.429 -1.772 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001202675495 791454011 /nfs/dbraw/zinc/45/40/11/791454011.db2.gz ZYCQQFDMRJQJDX-VIFPVBQESA-N 1 0 345.429 -1.772 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202675512 791454086 /nfs/dbraw/zinc/45/40/86/791454086.db2.gz VLWVMSQLWDLVGH-UWVGGRQHSA-N 1 0 332.426 -1.572 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202675513 791453916 /nfs/dbraw/zinc/45/39/16/791453916.db2.gz VLWVMSQLWDLVGH-VHSXEESVSA-N 1 0 332.426 -1.572 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202675515 791454110 /nfs/dbraw/zinc/45/41/10/791454110.db2.gz VLWVMSQLWDLVGH-ZJUUUORDSA-N 1 0 332.426 -1.572 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC([NH2+]CCOCCO)CC1 ZINC001202680300 791453741 /nfs/dbraw/zinc/45/37/41/791453741.db2.gz BPIJAYGPZLPKOU-NSHDSACASA-N 1 0 328.369 -1.826 20 0 EAADRO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202680342 791453867 /nfs/dbraw/zinc/45/38/67/791453867.db2.gz CKPRCKZBYWWXRW-NSHDSACASA-N 1 0 339.396 -1.310 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202680791 791453790 /nfs/dbraw/zinc/45/37/90/791453790.db2.gz JTMCJHBYSIYRQS-MNOVXSKESA-N 1 0 328.369 -1.828 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202680792 791453712 /nfs/dbraw/zinc/45/37/12/791453712.db2.gz JTMCJHBYSIYRQS-QWRGUYRKSA-N 1 0 328.369 -1.828 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202681005 791453841 /nfs/dbraw/zinc/45/38/41/791453841.db2.gz OWYZZNIWDOLOQY-NSHDSACASA-N 1 0 339.396 -1.357 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202681068 791453550 /nfs/dbraw/zinc/45/35/50/791453550.db2.gz RABQFCSBRYZIMD-JTQLQIEISA-N 1 0 346.409 -1.790 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202681171 791453405 /nfs/dbraw/zinc/45/34/05/791453405.db2.gz SIFWLMLVLBBQMJ-QMMMGPOBSA-N 1 0 340.340 -2.640 20 0 EAADRO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202681189 791453761 /nfs/dbraw/zinc/45/37/61/791453761.db2.gz SLDBXMKXUAPUIE-NSHDSACASA-N 1 0 339.396 -1.309 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202681340 791453334 /nfs/dbraw/zinc/45/33/34/791453334.db2.gz WIIGSAOSEWEWPA-JTQLQIEISA-N 1 0 325.369 -1.747 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202681490 791453906 /nfs/dbraw/zinc/45/39/06/791453906.db2.gz YYGJWIZVFKRJCU-JTQLQIEISA-N 1 0 325.369 -1.699 20 0 EAADRO COCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202681513 791453982 /nfs/dbraw/zinc/45/39/82/791453982.db2.gz ZNTVEOSZYRLSPV-LBPRGKRZSA-N 1 0 342.396 -1.172 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)NC1CC1 ZINC001202681515 791453646 /nfs/dbraw/zinc/45/36/46/791453646.db2.gz ZNTWPIOAACZJIB-NSHDSACASA-N 1 0 337.380 -1.556 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202687987 791453751 /nfs/dbraw/zinc/45/37/51/791453751.db2.gz CLGBJROBWIFYOG-SCZZXKLOSA-N 1 0 325.369 -1.700 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001202687989 791453837 /nfs/dbraw/zinc/45/38/37/791453837.db2.gz CLGBJROBWIFYOG-WPRPVWTQSA-N 1 0 325.369 -1.700 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)C(=O)N(C)C ZINC001202688654 791454137 /nfs/dbraw/zinc/45/41/37/791454137.db2.gz ULWCLSGLBUVPQC-KOLCDFICSA-N 1 0 339.396 -1.358 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)C(=O)N(C)C ZINC001202688660 791453627 /nfs/dbraw/zinc/45/36/27/791453627.db2.gz ULWCLSGLBUVPQC-ONGXEEELSA-N 1 0 339.396 -1.358 20 0 EAADRO CO[C@H](C)C[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202698899 791453724 /nfs/dbraw/zinc/45/37/24/791453724.db2.gz DBLFVGOVPKARLQ-LLVKDONJSA-N 1 0 336.458 -1.002 20 0 EAADRO CO[C@@H](C)C[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202698907 791453594 /nfs/dbraw/zinc/45/35/94/791453594.db2.gz DBLFVGOVPKARLQ-NSHDSACASA-N 1 0 336.458 -1.002 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202698927 791453616 /nfs/dbraw/zinc/45/36/16/791453616.db2.gz DNCRQDLBYKAYAX-UHFFFAOYSA-N 1 0 349.457 -1.901 20 0 EAADRO COCCC[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202699130 791453656 /nfs/dbraw/zinc/45/36/56/791453656.db2.gz GKPYMCONJGAIPA-UHFFFAOYSA-N 1 0 336.458 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC001202699182 791453932 /nfs/dbraw/zinc/45/39/32/791453932.db2.gz HQVIVNOKPFWAQY-GFCCVEGCSA-N 1 0 348.469 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC001202699183 791454060 /nfs/dbraw/zinc/45/40/60/791454060.db2.gz HQVIVNOKPFWAQY-LBPRGKRZSA-N 1 0 348.469 -1.001 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001202699244 791453810 /nfs/dbraw/zinc/45/38/10/791453810.db2.gz JAVIPHSRLLKAHP-SECBINFHSA-N 1 0 335.430 -2.163 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001202699248 791453961 /nfs/dbraw/zinc/45/39/61/791453961.db2.gz JAVIPHSRLLKAHP-VIFPVBQESA-N 1 0 335.430 -2.163 20 0 EAADRO CC[C@@H]([NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001202699271 791454114 /nfs/dbraw/zinc/45/41/14/791454114.db2.gz JNANVEQPFXJPTQ-LLVKDONJSA-N 1 0 349.457 -1.773 20 0 EAADRO CC[C@H]([NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001202699273 791453860 /nfs/dbraw/zinc/45/38/60/791453860.db2.gz JNANVEQPFXJPTQ-NSHDSACASA-N 1 0 349.457 -1.773 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001202699293 791453311 /nfs/dbraw/zinc/45/33/11/791453311.db2.gz JTMXAUIYRNTINT-LLVKDONJSA-N 1 0 347.441 -2.149 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001202699519 791454122 /nfs/dbraw/zinc/45/41/22/791454122.db2.gz JTMXAUIYRNTINT-NSHDSACASA-N 1 0 347.441 -2.149 20 0 EAADRO CCOCC[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202699662 791453284 /nfs/dbraw/zinc/45/32/84/791453284.db2.gz NNMFWARBFIOFCJ-UHFFFAOYSA-N 1 0 336.458 -1.001 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202699807 791453886 /nfs/dbraw/zinc/45/38/86/791453886.db2.gz NUDFMJRWCQKAMV-JTQLQIEISA-N 1 0 349.457 -1.903 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202699808 791453957 /nfs/dbraw/zinc/45/39/57/791453957.db2.gz NUDFMJRWCQKAMV-SNVBAGLBSA-N 1 0 349.457 -1.903 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC001202699811 791453527 /nfs/dbraw/zinc/45/35/27/791453527.db2.gz NVXBGQXTOGTYGH-UHFFFAOYSA-N 1 0 346.413 -1.454 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202699899 791453356 /nfs/dbraw/zinc/45/33/56/791453356.db2.gz RXGJAFUASHCNNN-UHFFFAOYSA-N 1 0 349.457 -1.949 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202699976 791454094 /nfs/dbraw/zinc/45/40/94/791454094.db2.gz UCPQIELMWPTIFA-UHFFFAOYSA-N 1 0 335.430 -2.291 20 0 EAADRO COC[C@@H](C)[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202700069 791453827 /nfs/dbraw/zinc/45/38/27/791453827.db2.gz XLMLIBDYJUNQCN-LLVKDONJSA-N 1 0 336.458 -1.002 20 0 EAADRO COC[C@H](C)[NH2+]C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001202700070 791453881 /nfs/dbraw/zinc/45/38/81/791453881.db2.gz XLMLIBDYJUNQCN-NSHDSACASA-N 1 0 336.458 -1.002 20 0 EAADRO Cc1ccn(CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)c(=O)c1 ZINC001202708654 791453576 /nfs/dbraw/zinc/45/35/76/791453576.db2.gz YAGIKZBQCZACRV-UHFFFAOYSA-N 1 0 349.391 -1.068 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001202721581 791454065 /nfs/dbraw/zinc/45/40/65/791454065.db2.gz VQYIWBDKDQBNPB-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C12CCC2 ZINC001202727205 791453799 /nfs/dbraw/zinc/45/37/99/791453799.db2.gz XCYANRPDFJGHCC-NXEZZACHSA-N 1 0 349.395 -1.051 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C12CCC2 ZINC001202727222 791453448 /nfs/dbraw/zinc/45/34/48/791453448.db2.gz XCYANRPDFJGHCC-UWVGGRQHSA-N 1 0 349.395 -1.051 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C12CCC2 ZINC001202727232 791453966 /nfs/dbraw/zinc/45/39/66/791453966.db2.gz XCYANRPDFJGHCC-VHSXEESVSA-N 1 0 349.395 -1.051 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C12CCC2 ZINC001202727233 791453989 /nfs/dbraw/zinc/45/39/89/791453989.db2.gz XCYANRPDFJGHCC-ZJUUUORDSA-N 1 0 349.395 -1.051 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202730051 791453833 /nfs/dbraw/zinc/45/38/33/791453833.db2.gz VMEXRQRNIOAHMC-UHFFFAOYSA-N 1 0 334.442 -1.276 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001202737118 791458305 /nfs/dbraw/zinc/45/83/05/791458305.db2.gz CAQVDQYTUHGONJ-UHFFFAOYSA-N 1 0 337.380 -1.976 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CCC([NH2+]CCCO)CC1 ZINC001202737685 791458357 /nfs/dbraw/zinc/45/83/57/791458357.db2.gz ISOFKUVRCGHASE-UHFFFAOYSA-N 1 0 334.380 -1.146 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)COC2CCOCC2)CC1 ZINC001202737692 791457448 /nfs/dbraw/zinc/45/74/48/791457448.db2.gz ITJDTEOJTNYNBY-UHFFFAOYSA-N 1 0 342.396 -1.043 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001202737824 791457573 /nfs/dbraw/zinc/45/75/73/791457573.db2.gz JTPLKLUOGXAZEK-UHFFFAOYSA-N 1 0 347.379 -1.782 20 0 EAADRO CC(C)(C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)S(C)(=O)=O ZINC001202738456 791457301 /nfs/dbraw/zinc/45/73/01/791457301.db2.gz YGJIKHRLEPSAOW-UHFFFAOYSA-N 1 0 348.425 -1.415 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)COC[C@@H]2CCOC2)CC1 ZINC001202748568 791458084 /nfs/dbraw/zinc/45/80/84/791458084.db2.gz GQSCWGXLCNNALD-LLVKDONJSA-N 1 0 342.396 -1.185 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)COC[C@H]2CCOC2)CC1 ZINC001202748577 791457321 /nfs/dbraw/zinc/45/73/21/791457321.db2.gz GQSCWGXLCNNALD-NSHDSACASA-N 1 0 342.396 -1.185 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202750569 791457200 /nfs/dbraw/zinc/45/72/00/791457200.db2.gz YGZUYDOYHGSLRF-JTQLQIEISA-N 1 0 330.385 -1.187 20 0 EAADRO COCCO[C@H](C)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202750570 791457967 /nfs/dbraw/zinc/45/79/67/791457967.db2.gz YGZUYDOYHGSLRF-SNVBAGLBSA-N 1 0 330.385 -1.187 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001202757513 791457281 /nfs/dbraw/zinc/45/72/81/791457281.db2.gz MOGXHOXDQJMWKT-UHFFFAOYSA-N 1 0 326.353 -1.366 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001202757865 791457652 /nfs/dbraw/zinc/45/76/52/791457652.db2.gz SBRKJRHKGGQWHU-UHFFFAOYSA-N 1 0 339.352 -2.266 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)c1N ZINC001202765826 791469326 /nfs/dbraw/zinc/46/93/26/791469326.db2.gz OJPPVCPUMGKXGR-NXEZZACHSA-N 1 0 349.395 -1.172 20 0 EAADRO Cn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)c1N ZINC001202765827 791469161 /nfs/dbraw/zinc/46/91/61/791469161.db2.gz OJPPVCPUMGKXGR-UWVGGRQHSA-N 1 0 349.395 -1.172 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)c1N ZINC001202765828 791469974 /nfs/dbraw/zinc/46/99/74/791469974.db2.gz OJPPVCPUMGKXGR-VHSXEESVSA-N 1 0 349.395 -1.172 20 0 EAADRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)c1N ZINC001202765829 791469227 /nfs/dbraw/zinc/46/92/27/791469227.db2.gz OJPPVCPUMGKXGR-ZJUUUORDSA-N 1 0 349.395 -1.172 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC([NH2+]CCCO)CC2)C1=O ZINC001202771529 791469631 /nfs/dbraw/zinc/46/96/31/791469631.db2.gz GOFCWNHMPOKSIC-UHFFFAOYSA-N 1 0 326.353 -1.630 20 0 EAADRO COc1cncc(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)n1 ZINC001202780823 791631032 /nfs/dbraw/zinc/63/10/32/791631032.db2.gz PJJHLJIJJYONLS-UHFFFAOYSA-N 1 0 336.352 -1.126 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)C(N)=O ZINC001202789077 791960899 /nfs/dbraw/zinc/96/08/99/791960899.db2.gz PWYHKXWDRGWOCU-JSGCOSHPSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)C(N)=O ZINC001202789078 791960870 /nfs/dbraw/zinc/96/08/70/791960870.db2.gz PWYHKXWDRGWOCU-OCCSQVGLSA-N 1 0 340.424 -1.016 20 0 EAADRO CCOCC[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202789091 791960880 /nfs/dbraw/zinc/96/08/80/791960880.db2.gz QMEAOQQSTNVSJE-ZDUSSCGKSA-N 1 0 328.413 -1.016 20 0 EAADRO COCCC[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202789157 791960826 /nfs/dbraw/zinc/96/08/26/791960826.db2.gz TYUOKJLGZGTJLE-ZDUSSCGKSA-N 1 0 328.413 -1.016 20 0 EAADRO COC[C@H](C)[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202789177 791960906 /nfs/dbraw/zinc/96/09/06/791960906.db2.gz VADIPUQCEJDQPG-GWCFXTLKSA-N 1 0 328.413 -1.018 20 0 EAADRO COC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202789178 791960860 /nfs/dbraw/zinc/96/08/60/791960860.db2.gz VADIPUQCEJDQPG-MFKMUULPSA-N 1 0 328.413 -1.018 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1)C(N)=O ZINC001202789304 791960845 /nfs/dbraw/zinc/96/08/45/791960845.db2.gz ZZHXACFUEHNFTP-KCJUWKMLSA-N 1 0 327.385 -2.179 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1)C(N)=O ZINC001202789305 791960892 /nfs/dbraw/zinc/96/08/92/791960892.db2.gz ZZHXACFUEHNFTP-KWQFWETISA-N 1 0 327.385 -2.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CCn2ccnn2)C12CCC2 ZINC001202794640 791961506 /nfs/dbraw/zinc/96/15/06/791961506.db2.gz IMPBLPOBBFWPEN-GHMZBOCLSA-N 1 0 349.395 -1.120 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CCn2ccnn2)C12CCC2 ZINC001202794641 791961618 /nfs/dbraw/zinc/96/16/18/791961618.db2.gz IMPBLPOBBFWPEN-MNOVXSKESA-N 1 0 349.395 -1.120 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2ccnn2)C12CCC2 ZINC001202794642 791961626 /nfs/dbraw/zinc/96/16/26/791961626.db2.gz IMPBLPOBBFWPEN-QWRGUYRKSA-N 1 0 349.395 -1.120 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2ccnn2)C12CCC2 ZINC001202794643 791961520 /nfs/dbraw/zinc/96/15/20/791961520.db2.gz IMPBLPOBBFWPEN-WDEREUQCSA-N 1 0 349.395 -1.120 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202795090 791961707 /nfs/dbraw/zinc/96/17/07/791961707.db2.gz KYJDKMMIYIDJLL-NXEZZACHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCNC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202795092 791961771 /nfs/dbraw/zinc/96/17/71/791961771.db2.gz KYJDKMMIYIDJLL-UWVGGRQHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202795094 791961781 /nfs/dbraw/zinc/96/17/81/791961781.db2.gz KYJDKMMIYIDJLL-VHSXEESVSA-N 1 0 339.396 -1.276 20 0 EAADRO CCNC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202795095 791961483 /nfs/dbraw/zinc/96/14/83/791961483.db2.gz KYJDKMMIYIDJLL-ZJUUUORDSA-N 1 0 339.396 -1.276 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1)C(N)=O ZINC001202801867 791961582 /nfs/dbraw/zinc/96/15/82/791961582.db2.gz KQQRLVDAEDLTEU-ZDUSSCGKSA-N 1 0 348.407 -1.063 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202801890 791961548 /nfs/dbraw/zinc/96/15/48/791961548.db2.gz KYYLWSHIZNTVST-LBPRGKRZSA-N 1 0 341.412 -1.917 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202802424 791961474 /nfs/dbraw/zinc/96/14/74/791961474.db2.gz SZNUMLUXISECHN-NSHDSACASA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1)C(N)=O ZINC001202802710 791961514 /nfs/dbraw/zinc/96/15/14/791961514.db2.gz XUQVXERPDPEQHU-LBPRGKRZSA-N 1 0 341.412 -1.965 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C12CCC2 ZINC001202803758 791962427 /nfs/dbraw/zinc/96/24/27/791962427.db2.gz CGOOJZFKNYQBLX-NXEZZACHSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C12CCC2 ZINC001202803761 791962466 /nfs/dbraw/zinc/96/24/66/791962466.db2.gz CGOOJZFKNYQBLX-UWVGGRQHSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C12CCC2 ZINC001202803764 791962483 /nfs/dbraw/zinc/96/24/83/791962483.db2.gz CGOOJZFKNYQBLX-VHSXEESVSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C12CCC2 ZINC001202803768 791962456 /nfs/dbraw/zinc/96/24/56/791962456.db2.gz CGOOJZFKNYQBLX-ZJUUUORDSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202803815 791962447 /nfs/dbraw/zinc/96/24/47/791962447.db2.gz CQSGAHQQEAGFAK-GHMZBOCLSA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202803817 791962461 /nfs/dbraw/zinc/96/24/61/791962461.db2.gz CQSGAHQQEAGFAK-MNOVXSKESA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202803825 791962488 /nfs/dbraw/zinc/96/24/88/791962488.db2.gz CQSGAHQQEAGFAK-QWRGUYRKSA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001202803826 791962486 /nfs/dbraw/zinc/96/24/86/791962486.db2.gz CQSGAHQQEAGFAK-WDEREUQCSA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202805617 791962729 /nfs/dbraw/zinc/96/27/29/791962729.db2.gz MLZKMUZTYWYGQG-BDAKNGLRSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202805618 791963586 /nfs/dbraw/zinc/96/35/86/791963586.db2.gz MLZKMUZTYWYGQG-DTWKUNHWSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202805620 791963593 /nfs/dbraw/zinc/96/35/93/791963593.db2.gz MLZKMUZTYWYGQG-IUCAKERBSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202805621 791963579 /nfs/dbraw/zinc/96/35/79/791963579.db2.gz MLZKMUZTYWYGQG-RKDXNWHRSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202806926 793031620 /nfs/dbraw/zinc/03/16/20/793031620.db2.gz YOKYOMZVGHCEOQ-NXEZZACHSA-N 1 0 336.396 -1.239 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202806936 793031004 /nfs/dbraw/zinc/03/10/04/793031004.db2.gz YOKYOMZVGHCEOQ-UWVGGRQHSA-N 1 0 336.396 -1.239 20 0 EAADRO CNC(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202806938 793030911 /nfs/dbraw/zinc/03/09/11/793030911.db2.gz YOKYOMZVGHCEOQ-VHSXEESVSA-N 1 0 336.396 -1.239 20 0 EAADRO CNC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C12CCC2 ZINC001202806940 793031093 /nfs/dbraw/zinc/03/10/93/793031093.db2.gz YOKYOMZVGHCEOQ-ZJUUUORDSA-N 1 0 336.396 -1.239 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+]CCOCCO)CC1)C(N)=O ZINC001202810612 793031517 /nfs/dbraw/zinc/03/15/17/793031517.db2.gz CHLUCKCWHMXSTI-ZDUSSCGKSA-N 1 0 344.412 -2.044 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202810645 793031545 /nfs/dbraw/zinc/03/15/45/793031545.db2.gz DPFBGGBBRMRMML-CABZTGNLSA-N 1 0 341.412 -1.918 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202810646 793031084 /nfs/dbraw/zinc/03/10/84/793031084.db2.gz DPFBGGBBRMRMML-SKDRFNHKSA-N 1 0 341.412 -1.918 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202811985 793033096 /nfs/dbraw/zinc/03/30/96/793033096.db2.gz KUILVQYFGCEUJI-OLZOCXBDSA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202811987 793032214 /nfs/dbraw/zinc/03/22/14/793032214.db2.gz KUILVQYFGCEUJI-STQMWFEESA-N 1 0 344.412 -2.046 20 0 EAADRO CO[C@@H](C)C[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202812121 793032535 /nfs/dbraw/zinc/03/25/35/793032535.db2.gz MZEWSIWTUAROAB-GWCFXTLKSA-N 1 0 328.413 -1.018 20 0 EAADRO CO[C@H](C)C[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202812122 793032025 /nfs/dbraw/zinc/03/20/25/793032025.db2.gz MZEWSIWTUAROAB-MFKMUULPSA-N 1 0 328.413 -1.018 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)C(N)=O ZINC001202812585 793033111 /nfs/dbraw/zinc/03/31/11/793033111.db2.gz NSRLHSOJZXMFPG-NEPJUHHUSA-N 1 0 339.396 -2.164 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)C(N)=O ZINC001202812587 793032633 /nfs/dbraw/zinc/03/26/33/793032633.db2.gz NSRLHSOJZXMFPG-RYUDHWBXSA-N 1 0 339.396 -2.164 20 0 EAADRO CC[C@@H]([NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1)C(N)=O ZINC001202813111 793032583 /nfs/dbraw/zinc/03/25/83/793032583.db2.gz SNPSRSSSDLBVON-NEPJUHHUSA-N 1 0 341.412 -1.789 20 0 EAADRO CC[C@H]([NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1)C(N)=O ZINC001202813120 793033237 /nfs/dbraw/zinc/03/32/37/793033237.db2.gz SNPSRSSSDLBVON-RYUDHWBXSA-N 1 0 341.412 -1.789 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+]Cc2cnon2)CC1)C(N)=O ZINC001202814022 793032188 /nfs/dbraw/zinc/03/21/88/793032188.db2.gz XXHBRPCPOXYMAB-LBPRGKRZSA-N 1 0 338.368 -1.470 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)C(C)C ZINC001202819343 793032573 /nfs/dbraw/zinc/03/25/73/793032573.db2.gz IGWNLZIMUCRZKA-AWEZNQCLSA-N 1 0 328.413 -1.161 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cnnn2C)C12CCC2 ZINC001202820278 793033082 /nfs/dbraw/zinc/03/30/82/793033082.db2.gz BIHMLFWCGFMKHN-GHMZBOCLSA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cnnn2C)C12CCC2 ZINC001202820279 793032564 /nfs/dbraw/zinc/03/25/64/793032564.db2.gz BIHMLFWCGFMKHN-MNOVXSKESA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C12CCC2 ZINC001202820280 793033170 /nfs/dbraw/zinc/03/31/70/793033170.db2.gz BIHMLFWCGFMKHN-QWRGUYRKSA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C12CCC2 ZINC001202820281 793032317 /nfs/dbraw/zinc/03/23/17/793032317.db2.gz BIHMLFWCGFMKHN-WDEREUQCSA-N 1 0 349.395 -1.099 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nn1 ZINC001202821103 793033064 /nfs/dbraw/zinc/03/30/64/793033064.db2.gz GDAUIZQDWQIZDF-NXEZZACHSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nn1 ZINC001202821108 793032014 /nfs/dbraw/zinc/03/20/14/793032014.db2.gz GDAUIZQDWQIZDF-UWVGGRQHSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nn1 ZINC001202821114 793032770 /nfs/dbraw/zinc/03/27/70/793032770.db2.gz GDAUIZQDWQIZDF-VHSXEESVSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)nn1 ZINC001202821115 793032904 /nfs/dbraw/zinc/03/29/04/793032904.db2.gz GDAUIZQDWQIZDF-ZJUUUORDSA-N 1 0 335.368 -1.359 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cn(C)nn2)C12CCC2 ZINC001202824027 793033054 /nfs/dbraw/zinc/03/30/54/793033054.db2.gz PVWZHSHFSJOGDI-GHMZBOCLSA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cn(C)nn2)C12CCC2 ZINC001202824030 793032274 /nfs/dbraw/zinc/03/22/74/793032274.db2.gz PVWZHSHFSJOGDI-MNOVXSKESA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nn2)C12CCC2 ZINC001202824037 793032790 /nfs/dbraw/zinc/03/27/90/793032790.db2.gz PVWZHSHFSJOGDI-QWRGUYRKSA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C12CCC2 ZINC001202824040 793032513 /nfs/dbraw/zinc/03/25/13/793032513.db2.gz PVWZHSHFSJOGDI-WDEREUQCSA-N 1 0 349.395 -1.099 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202824447 793032348 /nfs/dbraw/zinc/03/23/48/793032348.db2.gz RUMLCULWQWUQSH-NXEZZACHSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202824448 793032439 /nfs/dbraw/zinc/03/24/39/793032439.db2.gz RUMLCULWQWUQSH-UWVGGRQHSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1nncc1C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202824449 793032622 /nfs/dbraw/zinc/03/26/22/793032622.db2.gz RUMLCULWQWUQSH-VHSXEESVSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202824450 793032953 /nfs/dbraw/zinc/03/29/53/793032953.db2.gz RUMLCULWQWUQSH-ZJUUUORDSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)n1 ZINC001202825143 793032809 /nfs/dbraw/zinc/03/28/09/793032809.db2.gz VVACNDZRIKLHII-BDAKNGLRSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)n1 ZINC001202825147 793032124 /nfs/dbraw/zinc/03/21/24/793032124.db2.gz VVACNDZRIKLHII-DTWKUNHWSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)n1 ZINC001202825149 793032226 /nfs/dbraw/zinc/03/22/26/793032226.db2.gz VVACNDZRIKLHII-IUCAKERBSA-N 1 0 335.368 -1.359 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)n1 ZINC001202825150 793034504 /nfs/dbraw/zinc/03/45/04/793034504.db2.gz VVACNDZRIKLHII-RKDXNWHRSA-N 1 0 335.368 -1.359 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ncn(C)n2)C12CCC2 ZINC001202825605 793033952 /nfs/dbraw/zinc/03/39/52/793033952.db2.gz YLPDYNDJGRWGGH-NXEZZACHSA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ncn(C)n2)C12CCC2 ZINC001202825606 793034886 /nfs/dbraw/zinc/03/48/86/793034886.db2.gz YLPDYNDJGRWGGH-UWVGGRQHSA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn(C)n2)C12CCC2 ZINC001202825607 793033968 /nfs/dbraw/zinc/03/39/68/793033968.db2.gz YLPDYNDJGRWGGH-VHSXEESVSA-N 1 0 349.395 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2ncn(C)n2)C12CCC2 ZINC001202825608 793033989 /nfs/dbraw/zinc/03/39/89/793033989.db2.gz YLPDYNDJGRWGGH-ZJUUUORDSA-N 1 0 349.395 -1.099 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC001202826429 793034752 /nfs/dbraw/zinc/03/47/52/793034752.db2.gz BAWFOCLNLOURNC-UHFFFAOYSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CC(=O)N(C)C)CC1)C(=O)NC(N)=O ZINC001202826447 793034559 /nfs/dbraw/zinc/03/45/59/793034559.db2.gz BPKRGXOAXGZTCQ-SECBINFHSA-N 1 0 327.385 -1.371 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CC(=O)N(C)C)CC1)C(=O)NC(N)=O ZINC001202826449 793034429 /nfs/dbraw/zinc/03/44/29/793034429.db2.gz BPKRGXOAXGZTCQ-VIFPVBQESA-N 1 0 327.385 -1.371 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001202826542 793033416 /nfs/dbraw/zinc/03/34/16/793033416.db2.gz COOBJDDOATZCKE-JTQLQIEISA-N 1 0 341.412 -1.111 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001202826543 793033522 /nfs/dbraw/zinc/03/35/22/793033522.db2.gz COOBJDDOATZCKE-SNVBAGLBSA-N 1 0 341.412 -1.111 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001202826800 793034472 /nfs/dbraw/zinc/03/44/72/793034472.db2.gz KDQYMRROMYPWGL-LLVKDONJSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001202826801 793034444 /nfs/dbraw/zinc/03/44/44/793034444.db2.gz KDQYMRROMYPWGL-NSHDSACASA-N 1 0 346.453 -1.217 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC001202827242 793033464 /nfs/dbraw/zinc/03/34/64/793033464.db2.gz WELCOHBMFUDGKO-UHFFFAOYSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1)C(N)=O ZINC001202827524 793034600 /nfs/dbraw/zinc/03/46/00/793034600.db2.gz ZQQFDMSKMFLJRH-SECBINFHSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1)C(N)=O ZINC001202827525 793034580 /nfs/dbraw/zinc/03/45/80/793034580.db2.gz ZQQFDMSKMFLJRH-VIFPVBQESA-N 1 0 334.442 -1.231 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001202832482 793033432 /nfs/dbraw/zinc/03/34/32/793033432.db2.gz AKHRYQUGCIRTPQ-UHFFFAOYSA-N 1 0 327.385 -1.499 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001202833487 793033863 /nfs/dbraw/zinc/03/38/63/793033863.db2.gz NTDPHDIKXWLPAR-UHFFFAOYSA-N 1 0 341.412 -1.109 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 ZINC001202834039 793033454 /nfs/dbraw/zinc/03/34/54/793033454.db2.gz SZDMVNRWLHDVKO-ZDUSSCGKSA-N 1 0 348.469 -1.113 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001202834510 793034906 /nfs/dbraw/zinc/03/49/06/793034906.db2.gz YXYXKEZSRIPOEP-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202834535 793034515 /nfs/dbraw/zinc/03/45/15/793034515.db2.gz ZKTYQUCAKWDMON-LBPRGKRZSA-N 1 0 334.442 -1.374 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001202840084 793033979 /nfs/dbraw/zinc/03/39/79/793033979.db2.gz JYXKDMIJTUXYRX-UHFFFAOYSA-N 1 0 348.469 -1.063 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202840245 793033560 /nfs/dbraw/zinc/03/35/60/793033560.db2.gz MOZYLGAZYNVVIK-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001202840252 793033652 /nfs/dbraw/zinc/03/36/52/793033652.db2.gz MXYQBGLCBNRPTI-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001202840368 793034083 /nfs/dbraw/zinc/03/40/83/793034083.db2.gz PFQKCBXWOXBNKK-UHFFFAOYSA-N 1 0 339.396 -1.403 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872697 793034840 /nfs/dbraw/zinc/03/48/40/793034840.db2.gz MMERTPVQZVLGEN-GFCCVEGCSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872698 793034736 /nfs/dbraw/zinc/03/47/36/793034736.db2.gz MMERTPVQZVLGEN-LBPRGKRZSA-N 1 0 346.453 -1.311 20 0 EAADRO CN1CC[C@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)S1(=O)=O ZINC001202872718 793034860 /nfs/dbraw/zinc/03/48/60/793034860.db2.gz NCOUQJKUQIUJMO-CYBMUJFWSA-N 1 0 349.453 -1.390 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)S1(=O)=O ZINC001202872719 793034375 /nfs/dbraw/zinc/03/43/75/793034375.db2.gz NCOUQJKUQIUJMO-ZDUSSCGKSA-N 1 0 349.453 -1.390 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872791 793034326 /nfs/dbraw/zinc/03/43/26/793034326.db2.gz PXKAHHQCMLHXNZ-CHWSQXEVSA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872792 793033716 /nfs/dbraw/zinc/03/37/16/793033716.db2.gz PXKAHHQCMLHXNZ-OLZOCXBDSA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872793 793034135 /nfs/dbraw/zinc/03/41/35/793034135.db2.gz PXKAHHQCMLHXNZ-QWHCGFSZSA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872794 793034591 /nfs/dbraw/zinc/03/45/91/793034591.db2.gz PXKAHHQCMLHXNZ-STQMWFEESA-N 1 0 349.453 -1.392 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872830 793034095 /nfs/dbraw/zinc/03/40/95/793034095.db2.gz RFFWQLUUZLIXTQ-CMPLNLGQSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872831 793033913 /nfs/dbraw/zinc/03/39/13/793033913.db2.gz RFFWQLUUZLIXTQ-JQWIXIFHSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872832 793034387 /nfs/dbraw/zinc/03/43/87/793034387.db2.gz RFFWQLUUZLIXTQ-PWSUYJOCSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872833 793034281 /nfs/dbraw/zinc/03/42/81/793034281.db2.gz RFFWQLUUZLIXTQ-ZYHUDNBSSA-N 1 0 346.453 -1.265 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872906 793034362 /nfs/dbraw/zinc/03/43/62/793034362.db2.gz VARAPLBZQUUAJD-LLVKDONJSA-N 1 0 332.426 -1.653 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001202872907 793034452 /nfs/dbraw/zinc/03/44/52/793034452.db2.gz VARAPLBZQUUAJD-NSHDSACASA-N 1 0 332.426 -1.653 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)[nH]1 ZINC001202876614 793034766 /nfs/dbraw/zinc/03/47/66/793034766.db2.gz IYJSSGXNLBPCNG-NXEZZACHSA-N 1 0 349.395 -1.132 20 0 EAADRO Cc1nnc(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)[nH]1 ZINC001202876615 793033840 /nfs/dbraw/zinc/03/38/40/793033840.db2.gz IYJSSGXNLBPCNG-UWVGGRQHSA-N 1 0 349.395 -1.132 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)[nH]1 ZINC001202876616 793034166 /nfs/dbraw/zinc/03/41/66/793034166.db2.gz IYJSSGXNLBPCNG-VHSXEESVSA-N 1 0 349.395 -1.132 20 0 EAADRO Cc1nnc(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C23CCC3)[nH]1 ZINC001202876617 793035003 /nfs/dbraw/zinc/03/50/03/793035003.db2.gz IYJSSGXNLBPCNG-ZJUUUORDSA-N 1 0 349.395 -1.132 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001202880811 793034436 /nfs/dbraw/zinc/03/44/36/793034436.db2.gz IBNGEOBAGLBOFS-UHFFFAOYSA-N 1 0 337.380 -1.699 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001202881482 793034892 /nfs/dbraw/zinc/03/48/92/793034892.db2.gz WWBVJIQFDIJHSM-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001202881483 793034214 /nfs/dbraw/zinc/03/42/14/793034214.db2.gz WWBVJIQFDIJHSM-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202889746 793036085 /nfs/dbraw/zinc/03/60/85/793036085.db2.gz FHTJESRZFMJIMB-UHFFFAOYSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202895676 793035459 /nfs/dbraw/zinc/03/54/59/793035459.db2.gz FLMMMUDJVDPWBJ-GXSJLCMTSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202895677 793036160 /nfs/dbraw/zinc/03/61/60/793036160.db2.gz FLMMMUDJVDPWBJ-KOLCDFICSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202895678 793035360 /nfs/dbraw/zinc/03/53/60/793035360.db2.gz FLMMMUDJVDPWBJ-MWLCHTKSSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1)C(=O)NC(N)=O ZINC001202895679 793035212 /nfs/dbraw/zinc/03/52/12/793035212.db2.gz FLMMMUDJVDPWBJ-ONGXEEELSA-N 1 0 339.396 -1.181 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001202895690 793036207 /nfs/dbraw/zinc/03/62/07/793036207.db2.gz FTAUVWBULJVKOS-JTQLQIEISA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001202895691 793035350 /nfs/dbraw/zinc/03/53/50/793035350.db2.gz FTAUVWBULJVKOS-SNVBAGLBSA-N 1 0 325.369 -1.569 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001202895936 793035698 /nfs/dbraw/zinc/03/56/98/793035698.db2.gz KWOFCSPRCPQHAG-GFCCVEGCSA-N 1 0 346.453 -1.215 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001202895937 793035332 /nfs/dbraw/zinc/03/53/32/793035332.db2.gz KWOFCSPRCPQHAG-LBPRGKRZSA-N 1 0 346.453 -1.215 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001202896097 793035315 /nfs/dbraw/zinc/03/53/15/793035315.db2.gz MKXALNXDXMWCKA-LLVKDONJSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001202896098 793035889 /nfs/dbraw/zinc/03/58/89/793035889.db2.gz MKXALNXDXMWCKA-NSHDSACASA-N 1 0 339.396 -1.309 20 0 EAADRO CS(=O)(=O)CCCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202912959 793035327 /nfs/dbraw/zinc/03/53/27/793035327.db2.gz SBQAOVQQBYOFOP-UHFFFAOYSA-N 1 0 348.425 -1.413 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001202918332 793036190 /nfs/dbraw/zinc/03/61/90/793036190.db2.gz GCZNJZGYKVGXKY-UHFFFAOYSA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC1 ZINC001202919399 793035930 /nfs/dbraw/zinc/03/59/30/793035930.db2.gz TYXNKVHERQIVQQ-UHFFFAOYSA-N 1 0 336.396 -1.285 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C2(C(=O)NC)CC2)CC1 ZINC001202919427 793035791 /nfs/dbraw/zinc/03/57/91/793035791.db2.gz UHRHLJCXUNZTKP-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921842 793035368 /nfs/dbraw/zinc/03/53/68/793035368.db2.gz YUHVAPYPPUJCRM-BDAKNGLRSA-N 1 0 336.356 -2.115 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921843 793035581 /nfs/dbraw/zinc/03/55/81/793035581.db2.gz YUHVAPYPPUJCRM-DTWKUNHWSA-N 1 0 336.356 -2.115 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921844 793035569 /nfs/dbraw/zinc/03/55/69/793035569.db2.gz YUHVAPYPPUJCRM-IUCAKERBSA-N 1 0 336.356 -2.115 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921845 793035636 /nfs/dbraw/zinc/03/56/36/793035636.db2.gz YUHVAPYPPUJCRM-RKDXNWHRSA-N 1 0 336.356 -2.115 20 0 EAADRO Cn1ncc(C(=O)N2CCC([NH2+]CCCN3C(=O)CNC3=O)CC2)n1 ZINC001202925507 793035153 /nfs/dbraw/zinc/03/51/53/793035153.db2.gz GKJSDBUCPRHCBZ-UHFFFAOYSA-N 1 0 349.395 -1.049 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202925514 793036294 /nfs/dbraw/zinc/03/62/94/793036294.db2.gz GQHWVFABFMYYTA-UHFFFAOYSA-N 1 0 339.352 -2.185 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1)NC1CC1 ZINC001202925555 793036150 /nfs/dbraw/zinc/03/61/50/793036150.db2.gz ILTACKZYDFJEQI-UHFFFAOYSA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1ncc(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)n1 ZINC001202925970 793035426 /nfs/dbraw/zinc/03/54/26/793035426.db2.gz NWEIZLDLBSJXAV-UHFFFAOYSA-N 1 0 330.414 -1.442 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001202925999 793036141 /nfs/dbraw/zinc/03/61/41/793036141.db2.gz OOCOORWYSMZUOR-LLVKDONJSA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001202926001 793035756 /nfs/dbraw/zinc/03/57/56/793035756.db2.gz OOCOORWYSMZUOR-NSHDSACASA-N 1 0 336.392 -1.102 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202926146 793035978 /nfs/dbraw/zinc/03/59/78/793035978.db2.gz PWTHTXNAYMKMBK-GFCCVEGCSA-N 1 0 327.381 -1.373 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202926147 793035801 /nfs/dbraw/zinc/03/58/01/793035801.db2.gz PWTHTXNAYMKMBK-LBPRGKRZSA-N 1 0 327.381 -1.373 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202926191 793035302 /nfs/dbraw/zinc/03/53/02/793035302.db2.gz RPZJCCZHAJTXIX-UHFFFAOYSA-N 1 0 345.421 -1.336 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001202926425 793036304 /nfs/dbraw/zinc/03/63/04/793036304.db2.gz SZUGVXUZQCHLGT-UHFFFAOYSA-N 1 0 344.441 -1.051 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001202926564 793036170 /nfs/dbraw/zinc/03/61/70/793036170.db2.gz WNXKIFBVWCCDTF-UHFFFAOYSA-N 1 0 337.384 -1.145 20 0 EAADRO CN(CC[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1)S(C)(=O)=O ZINC001202926599 793035815 /nfs/dbraw/zinc/03/58/15/793035815.db2.gz XBHVDWGVLSGDTE-UHFFFAOYSA-N 1 0 344.441 -1.099 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC([NH2+]CCOCCO)CC1 ZINC001202926630 793035192 /nfs/dbraw/zinc/03/51/92/793035192.db2.gz YHTKYJRTRWJIFW-UHFFFAOYSA-N 1 0 327.381 -1.371 20 0 EAADRO Cn1ncc(C(=O)N2CCC([NH2+]CC(=O)NC(=O)NC3CC3)CC2)n1 ZINC001202926664 793036180 /nfs/dbraw/zinc/03/61/80/793036180.db2.gz ZYIJRRGRNHUDBL-UHFFFAOYSA-N 1 0 349.395 -1.003 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202927951 793035339 /nfs/dbraw/zinc/03/53/39/793035339.db2.gz BVDQLHMWCPJZMA-GHMZBOCLSA-N 1 0 342.425 -1.265 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202927956 793035474 /nfs/dbraw/zinc/03/54/74/793035474.db2.gz BVDQLHMWCPJZMA-MNOVXSKESA-N 1 0 342.425 -1.265 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202927957 793035520 /nfs/dbraw/zinc/03/55/20/793035520.db2.gz BVDQLHMWCPJZMA-QWRGUYRKSA-N 1 0 342.425 -1.265 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202927958 793035686 /nfs/dbraw/zinc/03/56/86/793035686.db2.gz BVDQLHMWCPJZMA-WDEREUQCSA-N 1 0 342.425 -1.265 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001202928171 793036248 /nfs/dbraw/zinc/03/62/48/793036248.db2.gz DFZKOOWZGBPABM-NEPJUHHUSA-N 1 0 348.469 -1.266 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001202928172 793035269 /nfs/dbraw/zinc/03/52/69/793035269.db2.gz DFZKOOWZGBPABM-NWDGAFQWSA-N 1 0 348.469 -1.266 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001202928173 793035435 /nfs/dbraw/zinc/03/54/35/793035435.db2.gz DFZKOOWZGBPABM-RYUDHWBXSA-N 1 0 348.469 -1.266 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001202928174 793035410 /nfs/dbraw/zinc/03/54/10/793035410.db2.gz DFZKOOWZGBPABM-VXGBXAGGSA-N 1 0 348.469 -1.266 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 ZINC001202928479 793035178 /nfs/dbraw/zinc/03/51/78/793035178.db2.gz HEBJHTDEPZLLNG-GHMZBOCLSA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 ZINC001202928480 793036260 /nfs/dbraw/zinc/03/62/60/793036260.db2.gz HEBJHTDEPZLLNG-MNOVXSKESA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 ZINC001202928481 793035843 /nfs/dbraw/zinc/03/58/43/793035843.db2.gz HEBJHTDEPZLLNG-QWRGUYRKSA-N 1 0 346.453 -1.311 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 ZINC001202928482 793035738 /nfs/dbraw/zinc/03/57/38/793035738.db2.gz HEBJHTDEPZLLNG-WDEREUQCSA-N 1 0 346.453 -1.311 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2)NC1CC1 ZINC001202928741 793036234 /nfs/dbraw/zinc/03/62/34/793036234.db2.gz JBZYNACBXNQYSJ-NEPJUHHUSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2)NC1CC1 ZINC001202928742 793035990 /nfs/dbraw/zinc/03/59/90/793035990.db2.gz JBZYNACBXNQYSJ-NWDGAFQWSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2)NC1CC1 ZINC001202928743 793035224 /nfs/dbraw/zinc/03/52/24/793035224.db2.gz JBZYNACBXNQYSJ-RYUDHWBXSA-N 1 0 333.396 -1.031 20 0 EAADRO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2)NC1CC1 ZINC001202928744 793036202 /nfs/dbraw/zinc/03/62/02/793036202.db2.gz JBZYNACBXNQYSJ-VXGBXAGGSA-N 1 0 333.396 -1.031 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001202930788 793035618 /nfs/dbraw/zinc/03/56/18/793035618.db2.gz YBHKGQHEXWFGDT-NXEZZACHSA-N 1 0 332.426 -1.572 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001202930789 793036078 /nfs/dbraw/zinc/03/60/78/793036078.db2.gz YBHKGQHEXWFGDT-UWVGGRQHSA-N 1 0 332.426 -1.572 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001202930790 793036614 /nfs/dbraw/zinc/03/66/14/793036614.db2.gz YBHKGQHEXWFGDT-VHSXEESVSA-N 1 0 332.426 -1.572 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001202930791 793038123 /nfs/dbraw/zinc/03/81/23/793038123.db2.gz YBHKGQHEXWFGDT-ZJUUUORDSA-N 1 0 332.426 -1.572 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CC1 ZINC001202931492 793037745 /nfs/dbraw/zinc/03/77/45/793037745.db2.gz DWBVUKKQTFMFLX-UHFFFAOYSA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC1 ZINC001202932782 793037097 /nfs/dbraw/zinc/03/70/97/793037097.db2.gz VDHPWVPTXAOFPF-SECBINFHSA-N 1 0 339.396 -1.323 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC1 ZINC001202932783 793038191 /nfs/dbraw/zinc/03/81/91/793038191.db2.gz VDHPWVPTXAOFPF-VIFPVBQESA-N 1 0 339.396 -1.323 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 ZINC001202939407 793036603 /nfs/dbraw/zinc/03/66/03/793036603.db2.gz NNTRIVIJAJXNNI-NXEZZACHSA-N 1 0 349.395 -1.860 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 ZINC001202939411 793037426 /nfs/dbraw/zinc/03/74/26/793037426.db2.gz NNTRIVIJAJXNNI-UWVGGRQHSA-N 1 0 349.395 -1.860 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 ZINC001202939412 793037369 /nfs/dbraw/zinc/03/73/69/793037369.db2.gz NNTRIVIJAJXNNI-VHSXEESVSA-N 1 0 349.395 -1.860 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 ZINC001202939413 793036765 /nfs/dbraw/zinc/03/67/65/793036765.db2.gz NNTRIVIJAJXNNI-ZJUUUORDSA-N 1 0 349.395 -1.860 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001202939917 793037301 /nfs/dbraw/zinc/03/73/01/793037301.db2.gz KAFCTWUQCMCLSA-SECBINFHSA-N 1 0 337.384 -1.147 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001202939921 793037663 /nfs/dbraw/zinc/03/76/63/793037663.db2.gz KAFCTWUQCMCLSA-VIFPVBQESA-N 1 0 337.384 -1.147 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2C[C@@H]([NH2+]CCCO)C23CCC3)n1 ZINC001202941880 793037782 /nfs/dbraw/zinc/03/77/82/793037782.db2.gz ZITQEWRZKCBCRZ-GHMZBOCLSA-N 1 0 336.396 -1.224 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C23CCC3)n1 ZINC001202941881 793036908 /nfs/dbraw/zinc/03/69/08/793036908.db2.gz ZITQEWRZKCBCRZ-MNOVXSKESA-N 1 0 336.396 -1.224 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]([NH2+]CCCO)C23CCC3)n1 ZINC001202941882 793037447 /nfs/dbraw/zinc/03/74/47/793037447.db2.gz ZITQEWRZKCBCRZ-QWRGUYRKSA-N 1 0 336.396 -1.224 20 0 EAADRO NC(=O)c1ncn(CC(=O)N[C@@H]2C[C@H]([NH2+]CCCO)C23CCC3)n1 ZINC001202941883 793037941 /nfs/dbraw/zinc/03/79/41/793037941.db2.gz ZITQEWRZKCBCRZ-WDEREUQCSA-N 1 0 336.396 -1.224 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCN2CCOCC2)CC1 ZINC001202947350 793038171 /nfs/dbraw/zinc/03/81/71/793038171.db2.gz NUIRKZWWGKAYEV-UHFFFAOYSA-N 1 0 341.412 -1.516 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C12CCC2 ZINC001202951907 793037331 /nfs/dbraw/zinc/03/73/31/793037331.db2.gz UFMUVPOWRHCKFC-GHMZBOCLSA-N 1 0 329.422 -1.206 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C12CCC2 ZINC001202951908 793036580 /nfs/dbraw/zinc/03/65/80/793036580.db2.gz UFMUVPOWRHCKFC-MNOVXSKESA-N 1 0 329.422 -1.206 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C12CCC2 ZINC001202951909 793038037 /nfs/dbraw/zinc/03/80/37/793038037.db2.gz UFMUVPOWRHCKFC-QWRGUYRKSA-N 1 0 329.422 -1.206 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C12CCC2 ZINC001202951912 793037225 /nfs/dbraw/zinc/03/72/25/793037225.db2.gz UFMUVPOWRHCKFC-WDEREUQCSA-N 1 0 329.422 -1.206 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC001202954501 793037535 /nfs/dbraw/zinc/03/75/35/793037535.db2.gz RVQNEKVILJWRTK-UHFFFAOYSA-N 1 0 337.380 -1.747 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202959727 793037285 /nfs/dbraw/zinc/03/72/85/793037285.db2.gz GPLQILYDSFQZDH-GHMZBOCLSA-N 1 0 349.395 -1.249 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202959728 793036568 /nfs/dbraw/zinc/03/65/68/793036568.db2.gz GPLQILYDSFQZDH-MNOVXSKESA-N 1 0 349.395 -1.249 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202959729 793037917 /nfs/dbraw/zinc/03/79/17/793037917.db2.gz GPLQILYDSFQZDH-QWRGUYRKSA-N 1 0 349.395 -1.249 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202959730 793037756 /nfs/dbraw/zinc/03/77/56/793037756.db2.gz GPLQILYDSFQZDH-WDEREUQCSA-N 1 0 349.395 -1.249 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202960684 793036840 /nfs/dbraw/zinc/03/68/40/793036840.db2.gz PWAJWXWGUIXRBG-NXEZZACHSA-N 1 0 335.368 -1.510 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202960685 793037271 /nfs/dbraw/zinc/03/72/71/793037271.db2.gz PWAJWXWGUIXRBG-UWVGGRQHSA-N 1 0 335.368 -1.510 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202960686 793036558 /nfs/dbraw/zinc/03/65/58/793036558.db2.gz PWAJWXWGUIXRBG-VHSXEESVSA-N 1 0 335.368 -1.510 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202960687 793036454 /nfs/dbraw/zinc/03/64/54/793036454.db2.gz PWAJWXWGUIXRBG-ZJUUUORDSA-N 1 0 335.368 -1.510 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202960821 793037929 /nfs/dbraw/zinc/03/79/29/793037929.db2.gz ABOWYRSMMUNSSA-LLVKDONJSA-N 1 0 327.385 -2.178 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202960840 793037984 /nfs/dbraw/zinc/03/79/84/793037984.db2.gz ABOWYRSMMUNSSA-NSHDSACASA-N 1 0 327.385 -2.178 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202960941 793038143 /nfs/dbraw/zinc/03/81/43/793038143.db2.gz CTUOMQWZMAZQMV-UHFFFAOYSA-N 1 0 327.385 -1.323 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 ZINC001202961146 793037838 /nfs/dbraw/zinc/03/78/38/793037838.db2.gz HMBYVCPHVQGUDV-CYBMUJFWSA-N 1 0 328.413 -1.016 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 ZINC001202961148 793037715 /nfs/dbraw/zinc/03/77/15/793037715.db2.gz HMBYVCPHVQGUDV-ZDUSSCGKSA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001202961213 793037856 /nfs/dbraw/zinc/03/78/56/793037856.db2.gz IKFVVKCQWOMEBS-BXKDBHETSA-N 1 0 341.412 -1.789 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001202961214 793037347 /nfs/dbraw/zinc/03/73/47/793037347.db2.gz IKFVVKCQWOMEBS-CABZTGNLSA-N 1 0 341.412 -1.789 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001202961215 793038156 /nfs/dbraw/zinc/03/81/56/793038156.db2.gz IKFVVKCQWOMEBS-JOYOIKCWSA-N 1 0 341.412 -1.789 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001202961216 793037797 /nfs/dbraw/zinc/03/77/97/793037797.db2.gz IKFVVKCQWOMEBS-SKDRFNHKSA-N 1 0 341.412 -1.789 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC001202961496 793037313 /nfs/dbraw/zinc/03/73/13/793037313.db2.gz MUAWTQVICYSVGA-GWCFXTLKSA-N 1 0 328.413 -1.282 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC001202961508 793036626 /nfs/dbraw/zinc/03/66/26/793036626.db2.gz MUAWTQVICYSVGA-GXFFZTMASA-N 1 0 328.413 -1.282 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001202961510 793037650 /nfs/dbraw/zinc/03/76/50/793037650.db2.gz MUAWTQVICYSVGA-MFKMUULPSA-N 1 0 328.413 -1.282 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001202961512 793038031 /nfs/dbraw/zinc/03/80/31/793038031.db2.gz MUAWTQVICYSVGA-ZWNOBZJWSA-N 1 0 328.413 -1.282 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 ZINC001202961543 793037638 /nfs/dbraw/zinc/03/76/38/793037638.db2.gz NEIIVPDWPVJATG-GFCCVEGCSA-N 1 0 341.412 -1.917 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 ZINC001202961545 793036545 /nfs/dbraw/zinc/03/65/45/793036545.db2.gz NEIIVPDWPVJATG-LBPRGKRZSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202961992 793037815 /nfs/dbraw/zinc/03/78/15/793037815.db2.gz ULQSVZRXBLAMOH-CYBMUJFWSA-N 1 0 328.413 -1.280 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202961993 793036757 /nfs/dbraw/zinc/03/67/57/793036757.db2.gz ULQSVZRXBLAMOH-ZDUSSCGKSA-N 1 0 328.413 -1.280 20 0 EAADRO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967095 793037488 /nfs/dbraw/zinc/03/74/88/793037488.db2.gz HKWCULMGPJBIMO-UHFFFAOYSA-N 1 0 339.396 -1.357 20 0 EAADRO COCCOCC[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967136 793037214 /nfs/dbraw/zinc/03/72/14/793037214.db2.gz JTCVCWZFDRDNKL-UHFFFAOYSA-N 1 0 342.396 -1.218 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967150 793037827 /nfs/dbraw/zinc/03/78/27/793037827.db2.gz KLRRMIHLMQBXAR-UHFFFAOYSA-N 1 0 339.396 -1.403 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C(C)(C)NC(C)=O)CC1 ZINC001202967154 793036734 /nfs/dbraw/zinc/03/67/34/793036734.db2.gz KPCXKBISCROOHE-UHFFFAOYSA-N 1 0 341.412 -1.063 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967205 793037766 /nfs/dbraw/zinc/03/77/66/793037766.db2.gz MSGDEVDVQBZPDD-UHFFFAOYSA-N 1 0 325.369 -1.793 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967210 793036891 /nfs/dbraw/zinc/03/68/91/793036891.db2.gz NBFJAHZYGXOMFB-UHFFFAOYSA-N 1 0 340.340 -2.686 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967295 793036978 /nfs/dbraw/zinc/03/69/78/793036978.db2.gz RJYYGSFTWHTAIK-LLVKDONJSA-N 1 0 328.369 -1.874 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967296 793036828 /nfs/dbraw/zinc/03/68/28/793036828.db2.gz RJYYGSFTWHTAIK-NSHDSACASA-N 1 0 328.369 -1.874 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001202967303 793037624 /nfs/dbraw/zinc/03/76/24/793037624.db2.gz RTOMBKYYVDBLRP-UHFFFAOYSA-N 1 0 328.369 -1.872 20 0 EAADRO O=C(C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1)NC1CC1 ZINC001202967323 793037728 /nfs/dbraw/zinc/03/77/28/793037728.db2.gz TUVPGRAAPNXAJB-UHFFFAOYSA-N 1 0 337.380 -1.603 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967370 793038768 /nfs/dbraw/zinc/03/87/68/793038768.db2.gz 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ZINC001203006355 793040670 /nfs/dbraw/zinc/04/06/70/793040670.db2.gz QVFPWRQUBQYNOQ-IUCAKERBSA-N 1 0 340.384 -1.873 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203006357 793039824 /nfs/dbraw/zinc/03/98/24/793039824.db2.gz QVFPWRQUBQYNOQ-RKDXNWHRSA-N 1 0 340.384 -1.873 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 ZINC001203028602 793039768 /nfs/dbraw/zinc/03/97/68/793039768.db2.gz OGBCVHPCLSEJCC-NEPJUHHUSA-N 1 0 338.408 -1.392 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 ZINC001203028604 793040249 /nfs/dbraw/zinc/04/02/49/793040249.db2.gz OGBCVHPCLSEJCC-NWDGAFQWSA-N 1 0 338.408 -1.392 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 ZINC001203028606 793040555 /nfs/dbraw/zinc/04/05/55/793040555.db2.gz OGBCVHPCLSEJCC-RYUDHWBXSA-N 1 0 338.408 -1.392 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 ZINC001203028609 793040606 /nfs/dbraw/zinc/04/06/06/793040606.db2.gz OGBCVHPCLSEJCC-VXGBXAGGSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(CCn1cnnn1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001203046790 793042238 /nfs/dbraw/zinc/04/22/38/793042238.db2.gz CTHVIGDDLMPDDR-AWEZNQCLSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(CCn1cnnn1)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001203046791 793041957 /nfs/dbraw/zinc/04/19/57/793041957.db2.gz CTHVIGDDLMPDDR-CQSZACIVSA-N 1 0 348.411 -1.099 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001203046802 793041218 /nfs/dbraw/zinc/04/12/18/793041218.db2.gz DLWSMXMWBVRSCK-UHFFFAOYSA-N 1 0 330.414 -1.312 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CCn2cnnn2)CC1)C(=O)NC(N)=O ZINC001203046887 793041512 /nfs/dbraw/zinc/04/15/12/793041512.db2.gz IOPLZAHOHZESOG-SECBINFHSA-N 1 0 338.372 -1.773 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CCn2cnnn2)CC1)C(=O)NC(N)=O ZINC001203046888 793041701 /nfs/dbraw/zinc/04/17/01/793041701.db2.gz IOPLZAHOHZESOG-VIFPVBQESA-N 1 0 338.372 -1.773 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001203047069 793042083 /nfs/dbraw/zinc/04/20/83/793042083.db2.gz RRWINKRMECYGFD-UHFFFAOYSA-N 1 0 338.372 -1.901 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001203047207 793041880 /nfs/dbraw/zinc/04/18/80/793041880.db2.gz WKERLQFGLCWDOT-UHFFFAOYSA-N 1 0 345.429 -1.807 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203058635 793041294 /nfs/dbraw/zinc/04/12/94/793041294.db2.gz ITAJHDHPCRLEBR-BDAKNGLRSA-N 1 0 339.396 -1.290 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203058652 793041918 /nfs/dbraw/zinc/04/19/18/793041918.db2.gz ITAJHDHPCRLEBR-DTWKUNHWSA-N 1 0 339.396 -1.290 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203058657 793041307 /nfs/dbraw/zinc/04/13/07/793041307.db2.gz ITAJHDHPCRLEBR-IUCAKERBSA-N 1 0 339.396 -1.290 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203058659 793041414 /nfs/dbraw/zinc/04/14/14/793041414.db2.gz ITAJHDHPCRLEBR-RKDXNWHRSA-N 1 0 339.396 -1.290 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001203064005 793042126 /nfs/dbraw/zinc/04/21/26/793042126.db2.gz HTUUGCWTMBZRBW-UHFFFAOYSA-N 1 0 336.352 -1.497 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 ZINC001203094499 793042420 /nfs/dbraw/zinc/04/24/20/793042420.db2.gz GJEJONLYQKTUIC-GHMZBOCLSA-N 1 0 336.396 -1.655 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 ZINC001203094500 793041579 /nfs/dbraw/zinc/04/15/79/793041579.db2.gz GJEJONLYQKTUIC-MNOVXSKESA-N 1 0 336.396 -1.655 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 ZINC001203094501 793041123 /nfs/dbraw/zinc/04/11/23/793041123.db2.gz GJEJONLYQKTUIC-QWRGUYRKSA-N 1 0 336.396 -1.655 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 ZINC001203094502 793041910 /nfs/dbraw/zinc/04/19/10/793041910.db2.gz GJEJONLYQKTUIC-WDEREUQCSA-N 1 0 336.396 -1.655 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203094817 793042387 /nfs/dbraw/zinc/04/23/87/793042387.db2.gz KDVYCGMGWBHTDO-NEPJUHHUSA-N 1 0 326.397 -1.752 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203094818 793042296 /nfs/dbraw/zinc/04/22/96/793042296.db2.gz KDVYCGMGWBHTDO-NWDGAFQWSA-N 1 0 326.397 -1.752 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203094819 793041754 /nfs/dbraw/zinc/04/17/54/793041754.db2.gz KDVYCGMGWBHTDO-RYUDHWBXSA-N 1 0 326.397 -1.752 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203094820 793041438 /nfs/dbraw/zinc/04/14/38/793041438.db2.gz KDVYCGMGWBHTDO-VXGBXAGGSA-N 1 0 326.397 -1.752 20 0 EAADRO COCC[NH2+][C@@H]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 ZINC001203095105 793041229 /nfs/dbraw/zinc/04/12/29/793041229.db2.gz MMYSTFSHVSFGGK-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO COCC[NH2+][C@@H]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 ZINC001203095106 793041111 /nfs/dbraw/zinc/04/11/11/793041111.db2.gz MMYSTFSHVSFGGK-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO COCC[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 ZINC001203095107 793042144 /nfs/dbraw/zinc/04/21/44/793042144.db2.gz MMYSTFSHVSFGGK-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO COCC[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 ZINC001203095108 793041599 /nfs/dbraw/zinc/04/15/99/793041599.db2.gz MMYSTFSHVSFGGK-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203095265 793041560 /nfs/dbraw/zinc/04/15/60/793041560.db2.gz NTPOHNVCZRSIHE-GHMZBOCLSA-N 1 0 347.437 -1.450 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203095266 793041149 /nfs/dbraw/zinc/04/11/49/793041149.db2.gz NTPOHNVCZRSIHE-MNOVXSKESA-N 1 0 347.437 -1.450 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203095267 793041183 /nfs/dbraw/zinc/04/11/83/793041183.db2.gz NTPOHNVCZRSIHE-QWRGUYRKSA-N 1 0 347.437 -1.450 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203095268 793042211 /nfs/dbraw/zinc/04/22/11/793042211.db2.gz NTPOHNVCZRSIHE-WDEREUQCSA-N 1 0 347.437 -1.450 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203095609 793042105 /nfs/dbraw/zinc/04/21/05/793042105.db2.gz SDYSBWZQHGTOLC-CHWSQXEVSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203095610 793041688 /nfs/dbraw/zinc/04/16/88/793041688.db2.gz SDYSBWZQHGTOLC-OLZOCXBDSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203095611 793041407 /nfs/dbraw/zinc/04/14/07/793041407.db2.gz SDYSBWZQHGTOLC-QWHCGFSZSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203095612 793041427 /nfs/dbraw/zinc/04/14/27/793041427.db2.gz SDYSBWZQHGTOLC-STQMWFEESA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203096241 793041502 /nfs/dbraw/zinc/04/15/02/793041502.db2.gz XQCDPMVSBQDYAZ-GHMZBOCLSA-N 1 0 339.396 -2.259 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203096242 793041315 /nfs/dbraw/zinc/04/13/15/793041315.db2.gz XQCDPMVSBQDYAZ-MNOVXSKESA-N 1 0 339.396 -2.259 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203096243 793041490 /nfs/dbraw/zinc/04/14/90/793041490.db2.gz XQCDPMVSBQDYAZ-QWRGUYRKSA-N 1 0 339.396 -2.259 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203096244 793042176 /nfs/dbraw/zinc/04/21/76/793042176.db2.gz XQCDPMVSBQDYAZ-WDEREUQCSA-N 1 0 339.396 -2.259 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112252 793043118 /nfs/dbraw/zinc/04/31/18/793043118.db2.gz AWPROKDIIRHPKU-NXEZZACHSA-N 1 0 335.368 -1.109 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112253 793043023 /nfs/dbraw/zinc/04/30/23/793043023.db2.gz AWPROKDIIRHPKU-UWVGGRQHSA-N 1 0 335.368 -1.109 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112254 793043519 /nfs/dbraw/zinc/04/35/19/793043519.db2.gz AWPROKDIIRHPKU-VHSXEESVSA-N 1 0 335.368 -1.109 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112255 793043997 /nfs/dbraw/zinc/04/39/97/793043997.db2.gz AWPROKDIIRHPKU-ZJUUUORDSA-N 1 0 335.368 -1.109 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112419 793042981 /nfs/dbraw/zinc/04/29/81/793042981.db2.gz DKHQTHVCEFOJOX-GHMZBOCLSA-N 1 0 342.425 -1.016 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112421 793042851 /nfs/dbraw/zinc/04/28/51/793042851.db2.gz DKHQTHVCEFOJOX-MNOVXSKESA-N 1 0 342.425 -1.016 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112422 793043738 /nfs/dbraw/zinc/04/37/38/793043738.db2.gz DKHQTHVCEFOJOX-QWRGUYRKSA-N 1 0 342.425 -1.016 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCC2 ZINC001203112423 793042774 /nfs/dbraw/zinc/04/27/74/793042774.db2.gz DKHQTHVCEFOJOX-WDEREUQCSA-N 1 0 342.425 -1.016 20 0 EAADRO CCn1cc(C(=O)N2CCC([NH2+]CC(=O)NC(=O)NC)CC2)nn1 ZINC001203114618 793043934 /nfs/dbraw/zinc/04/39/34/793043934.db2.gz AMZAEMOEELHQAO-UHFFFAOYSA-N 1 0 337.384 -1.052 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001203114629 793043048 /nfs/dbraw/zinc/04/30/48/793043048.db2.gz ANVAHLOFLAEKOY-UHFFFAOYSA-N 1 0 325.369 -1.712 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001203115367 793044930 /nfs/dbraw/zinc/04/49/30/793044930.db2.gz OZBVLYJGNYBILC-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001203115432 793045167 /nfs/dbraw/zinc/04/51/67/793045167.db2.gz PTCHNLZYOPGUSG-GFCCVEGCSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001203115433 793044427 /nfs/dbraw/zinc/04/44/27/793044427.db2.gz PTCHNLZYOPGUSG-LBPRGKRZSA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1[nH]c(C[NH2+]C2CCN(C(=O)C(=O)NCC3CC3)CC2)nc1=O ZINC001203115757 793044487 /nfs/dbraw/zinc/04/44/87/793044487.db2.gz VYTFRSRPUQTGQI-UHFFFAOYSA-N 1 0 336.396 -1.285 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001203119173 793047766 /nfs/dbraw/zinc/04/77/66/793047766.db2.gz GVIUFSFISJGVNZ-UHFFFAOYSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)C(=O)NCC2CC2)CC1)C(=O)NC(N)=O ZINC001203119484 793047888 /nfs/dbraw/zinc/04/78/88/793047888.db2.gz JKMTUJGYOCMRPH-SECBINFHSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)C(=O)NCC2CC2)CC1)C(=O)NC(N)=O ZINC001203119485 793047649 /nfs/dbraw/zinc/04/76/49/793047649.db2.gz JKMTUJGYOCMRPH-VIFPVBQESA-N 1 0 339.396 -1.323 20 0 EAADRO Cn1nnnc1C[NH2+]C1CCN(C(=O)C(=O)NCC(F)(F)F)CC1 ZINC001203119546 793047628 /nfs/dbraw/zinc/04/76/28/793047628.db2.gz KWLOPXHUQIVOIQ-UHFFFAOYSA-N 1 0 349.317 -1.031 20 0 EAADRO 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EAADRO Cn1cnnc1COCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203143239 785157725 /nfs/dbraw/zinc/15/77/25/785157725.db2.gz LMHVYFATFCOTKP-LBPRGKRZSA-N 1 0 336.396 -1.199 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC001203143342 785157860 /nfs/dbraw/zinc/15/78/60/785157860.db2.gz ONANCNXVNVIJGD-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001203143344 785157785 /nfs/dbraw/zinc/15/77/85/785157785.db2.gz ONANCNXVNVIJGD-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2nonc2C)CC1 ZINC001203143345 785157936 /nfs/dbraw/zinc/15/79/36/785157936.db2.gz ONIXXRBXBYCDFJ-UHFFFAOYSA-N 1 0 338.368 -1.043 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203143547 785186802 /nfs/dbraw/zinc/18/68/02/785186802.db2.gz PSQSKEUJCDICLV-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203143614 785187785 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ZINC001203153362 785107037 /nfs/dbraw/zinc/10/70/37/785107037.db2.gz NFUMGLCAIJNROD-GFCCVEGCSA-N 1 0 336.396 -1.199 20 0 EAADRO Cn1ncnc1COCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203153363 785107074 /nfs/dbraw/zinc/10/70/74/785107074.db2.gz NFUMGLCAIJNROD-LBPRGKRZSA-N 1 0 336.396 -1.199 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)COCc2ncnn2C)CC1 ZINC001203153391 785107714 /nfs/dbraw/zinc/10/77/14/785107714.db2.gz OQLLRQMGSMMQGZ-CYBMUJFWSA-N 1 0 341.412 -1.080 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)COCc2ncnn2C)CC1 ZINC001203153394 785106896 /nfs/dbraw/zinc/10/68/96/785106896.db2.gz OQLLRQMGSMMQGZ-ZDUSSCGKSA-N 1 0 341.412 -1.080 20 0 EAADRO COc1ncc(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)cn1 ZINC001203172125 790647599 /nfs/dbraw/zinc/64/75/99/790647599.db2.gz WQEACOCQNMRHQD-UHFFFAOYSA-N 1 0 336.352 -1.126 20 0 EAADRO COc1ccc(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)nn1 ZINC001203192440 793348627 /nfs/dbraw/zinc/34/86/27/793348627.db2.gz CMOURQCWBXLYCG-UHFFFAOYSA-N 1 0 336.352 -1.126 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001203193553 793389077 /nfs/dbraw/zinc/38/90/77/793389077.db2.gz OEVGRQSYOGWUKX-UHFFFAOYSA-N 1 0 339.396 -1.357 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CCOC)C12CCC2 ZINC001203210334 785359268 /nfs/dbraw/zinc/35/92/68/785359268.db2.gz DEKJISCHLSQSFX-GHMZBOCLSA-N 1 0 334.442 -1.296 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CCOC)C12CCC2 ZINC001203210335 785359706 /nfs/dbraw/zinc/35/97/06/785359706.db2.gz DEKJISCHLSQSFX-MNOVXSKESA-N 1 0 334.442 -1.296 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CCOC)C12CCC2 ZINC001203210336 785359111 /nfs/dbraw/zinc/35/91/11/785359111.db2.gz DEKJISCHLSQSFX-QWRGUYRKSA-N 1 0 334.442 -1.296 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CCOC)C12CCC2 ZINC001203210337 785358886 /nfs/dbraw/zinc/35/88/86/785358886.db2.gz DEKJISCHLSQSFX-WDEREUQCSA-N 1 0 334.442 -1.296 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203210374 785375074 /nfs/dbraw/zinc/37/50/74/785375074.db2.gz DREGEDMQHQWETR-GHMZBOCLSA-N 1 0 334.442 -1.560 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203210375 785375872 /nfs/dbraw/zinc/37/58/72/785375872.db2.gz DREGEDMQHQWETR-MNOVXSKESA-N 1 0 334.442 -1.560 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203210376 785375491 /nfs/dbraw/zinc/37/54/91/785375491.db2.gz DREGEDMQHQWETR-QWRGUYRKSA-N 1 0 334.442 -1.560 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203210377 785375415 /nfs/dbraw/zinc/37/54/15/785375415.db2.gz DREGEDMQHQWETR-WDEREUQCSA-N 1 0 334.442 -1.560 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203213507 785766788 /nfs/dbraw/zinc/76/67/88/785766788.db2.gz AXUBRYNCEISOQT-JTQLQIEISA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203213510 785766886 /nfs/dbraw/zinc/76/68/86/785766886.db2.gz AXUBRYNCEISOQT-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203213571 785772999 /nfs/dbraw/zinc/77/29/99/785772999.db2.gz BWXXIMSCOVZZHV-UHFFFAOYSA-N 1 0 339.396 -1.355 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203213639 785772989 /nfs/dbraw/zinc/77/29/89/785772989.db2.gz DEZDQDOBPBKTIC-UHFFFAOYSA-N 1 0 325.369 -1.745 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203213860 785778040 /nfs/dbraw/zinc/77/80/40/785778040.db2.gz FNQIWRKYDKAALD-UHFFFAOYSA-N 1 0 342.396 -1.482 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203214703 785836370 /nfs/dbraw/zinc/83/63/70/785836370.db2.gz NSVSASCHXDPORJ-GFCCVEGCSA-N 1 0 342.396 -1.484 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203214709 785837640 /nfs/dbraw/zinc/83/76/40/785837640.db2.gz NSVSASCHXDPORJ-LBPRGKRZSA-N 1 0 342.396 -1.484 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203215634 785459012 /nfs/dbraw/zinc/45/90/12/785459012.db2.gz VYDMVQOMWHJSJD-UHFFFAOYSA-N 1 0 339.396 -1.403 20 0 EAADRO Cn1cnn(CCC(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001203221065 785710781 /nfs/dbraw/zinc/71/07/81/785710781.db2.gz JYUNENADZOWVFQ-GHMZBOCLSA-N 1 0 336.396 -1.526 20 0 EAADRO Cn1cnn(CCC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001203221068 785711679 /nfs/dbraw/zinc/71/16/79/785711679.db2.gz JYUNENADZOWVFQ-MNOVXSKESA-N 1 0 336.396 -1.526 20 0 EAADRO Cn1cnn(CCC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001203221070 785711779 /nfs/dbraw/zinc/71/17/79/785711779.db2.gz JYUNENADZOWVFQ-QWRGUYRKSA-N 1 0 336.396 -1.526 20 0 EAADRO Cn1cnn(CCC(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1=O ZINC001203221073 785711114 /nfs/dbraw/zinc/71/11/14/785711114.db2.gz JYUNENADZOWVFQ-WDEREUQCSA-N 1 0 336.396 -1.526 20 0 EAADRO NC(=O)C[NH2+]C1CCN(C(=O)CNC(=O)c2cscn2)CC1 ZINC001203228647 786041888 /nfs/dbraw/zinc/04/18/88/786041888.db2.gz IKBYBKHSCIDNGD-UHFFFAOYSA-N 1 0 325.394 -1.061 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCCn2cncn2)CC1 ZINC001203229848 790330502 /nfs/dbraw/zinc/33/05/02/790330502.db2.gz UFPHKBAGPQQXAE-UHFFFAOYSA-N 1 0 337.384 -1.166 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203230064 790348987 /nfs/dbraw/zinc/34/89/87/790348987.db2.gz KCUOXGICJASQQO-BDAKNGLRSA-N 1 0 333.414 -2.458 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203230066 790348938 /nfs/dbraw/zinc/34/89/38/790348938.db2.gz KCUOXGICJASQQO-DTWKUNHWSA-N 1 0 333.414 -2.458 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203230067 790349073 /nfs/dbraw/zinc/34/90/73/790349073.db2.gz KCUOXGICJASQQO-IUCAKERBSA-N 1 0 333.414 -2.458 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203230069 790349433 /nfs/dbraw/zinc/34/94/33/790349433.db2.gz KCUOXGICJASQQO-RKDXNWHRSA-N 1 0 333.414 -2.458 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)NC)C12CCC2 ZINC001203230795 790376581 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ZINC001203322907 791281629 /nfs/dbraw/zinc/28/16/29/791281629.db2.gz AVXSTPHWCKXJMP-MNOVXSKESA-N 1 0 326.397 -1.359 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203322909 791282147 /nfs/dbraw/zinc/28/21/47/791282147.db2.gz AVXSTPHWCKXJMP-QWRGUYRKSA-N 1 0 326.397 -1.359 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203322911 791281238 /nfs/dbraw/zinc/28/12/38/791281238.db2.gz AVXSTPHWCKXJMP-WDEREUQCSA-N 1 0 326.397 -1.359 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C12CCC2 ZINC001203323005 791286407 /nfs/dbraw/zinc/28/64/07/791286407.db2.gz BRNCXZWEMKBFSI-NEPJUHHUSA-N 1 0 338.408 -1.216 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCOCC2)C12CCC2 ZINC001203323007 791286799 /nfs/dbraw/zinc/28/67/99/791286799.db2.gz BRNCXZWEMKBFSI-NWDGAFQWSA-N 1 0 338.408 -1.216 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCOCC2)C12CCC2 ZINC001203323008 791287659 /nfs/dbraw/zinc/28/76/59/791287659.db2.gz BRNCXZWEMKBFSI-RYUDHWBXSA-N 1 0 338.408 -1.216 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C12CCC2 ZINC001203323011 791286959 /nfs/dbraw/zinc/28/69/59/791286959.db2.gz BRNCXZWEMKBFSI-VXGBXAGGSA-N 1 0 338.408 -1.216 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 ZINC001203323021 791289106 /nfs/dbraw/zinc/28/91/06/791289106.db2.gz BVORPJFIDJUSIR-GHMZBOCLSA-N 1 0 346.453 -1.182 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 ZINC001203323025 791288122 /nfs/dbraw/zinc/28/81/22/791288122.db2.gz BVORPJFIDJUSIR-MNOVXSKESA-N 1 0 346.453 -1.182 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 ZINC001203323026 791289534 /nfs/dbraw/zinc/28/95/34/791289534.db2.gz BVORPJFIDJUSIR-QWRGUYRKSA-N 1 0 346.453 -1.182 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 ZINC001203323029 791289096 /nfs/dbraw/zinc/28/90/96/791289096.db2.gz BVORPJFIDJUSIR-WDEREUQCSA-N 1 0 346.453 -1.182 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001203323186 793691039 /nfs/dbraw/zinc/69/10/39/793691039.db2.gz CNIAJHHMFLLLLY-UHFFFAOYSA-N 1 0 347.379 -1.300 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001203323196 793690979 /nfs/dbraw/zinc/69/09/79/793690979.db2.gz CSULNUWYCVNGAH-UHFFFAOYSA-N 1 0 333.352 -1.642 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203323266 791293895 /nfs/dbraw/zinc/29/38/95/791293895.db2.gz CEPRXIDBUPICDN-NEPJUHHUSA-N 1 0 326.397 -1.359 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203323267 791295165 /nfs/dbraw/zinc/29/51/65/791295165.db2.gz CEPRXIDBUPICDN-NWDGAFQWSA-N 1 0 326.397 -1.359 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203323268 791293617 /nfs/dbraw/zinc/29/36/17/791293617.db2.gz CEPRXIDBUPICDN-RYUDHWBXSA-N 1 0 326.397 -1.359 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203323269 791295141 /nfs/dbraw/zinc/29/51/41/791295141.db2.gz CEPRXIDBUPICDN-VXGBXAGGSA-N 1 0 326.397 -1.359 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001203323603 791303128 /nfs/dbraw/zinc/30/31/28/791303128.db2.gz HZLJROHWKQVACI-UHFFFAOYSA-N 1 0 339.352 -1.163 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001203323632 793690786 /nfs/dbraw/zinc/69/07/86/793690786.db2.gz IHRQUAWURVUSOU-SECBINFHSA-N 1 0 349.395 -1.315 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001203323634 793690195 /nfs/dbraw/zinc/69/01/95/793690195.db2.gz IHRQUAWURVUSOU-VIFPVBQESA-N 1 0 349.395 -1.315 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C12CCC2 ZINC001203324191 793690936 /nfs/dbraw/zinc/69/09/36/793690936.db2.gz FYTMFBSIVLEKKE-NXEZZACHSA-N 1 0 337.380 -1.523 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C12CCC2 ZINC001203324193 793690973 /nfs/dbraw/zinc/69/09/73/793690973.db2.gz FYTMFBSIVLEKKE-UWVGGRQHSA-N 1 0 337.380 -1.523 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C12CCC2 ZINC001203324196 793689757 /nfs/dbraw/zinc/68/97/57/793689757.db2.gz FYTMFBSIVLEKKE-VHSXEESVSA-N 1 0 337.380 -1.523 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C12CCC2 ZINC001203324198 793690957 /nfs/dbraw/zinc/69/09/57/793690957.db2.gz FYTMFBSIVLEKKE-ZJUUUORDSA-N 1 0 337.380 -1.523 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001203324334 793690013 /nfs/dbraw/zinc/69/00/13/793690013.db2.gz OIMSVACWXQTTNR-SECBINFHSA-N 1 0 347.379 -1.254 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001203324337 793690062 /nfs/dbraw/zinc/69/00/62/793690062.db2.gz OIMSVACWXQTTNR-VIFPVBQESA-N 1 0 347.379 -1.254 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203324863 791375107 /nfs/dbraw/zinc/37/51/07/791375107.db2.gz JCMNFKOJNNWLIO-GHMZBOCLSA-N 1 0 326.397 -1.359 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203324872 791374995 /nfs/dbraw/zinc/37/49/95/791374995.db2.gz JCMNFKOJNNWLIO-MNOVXSKESA-N 1 0 326.397 -1.359 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203324874 791375005 /nfs/dbraw/zinc/37/50/05/791375005.db2.gz JCMNFKOJNNWLIO-QWRGUYRKSA-N 1 0 326.397 -1.359 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203324876 791372930 /nfs/dbraw/zinc/37/29/30/791372930.db2.gz JCMNFKOJNNWLIO-WDEREUQCSA-N 1 0 326.397 -1.359 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001203325011 793690714 /nfs/dbraw/zinc/69/07/14/793690714.db2.gz XGUMSJVXGIXEHO-UHFFFAOYSA-N 1 0 347.379 -1.252 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325108 793689784 /nfs/dbraw/zinc/68/97/84/793689784.db2.gz JWBXXOXCLHRICX-NXEZZACHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325109 793690731 /nfs/dbraw/zinc/69/07/31/793690731.db2.gz JWBXXOXCLHRICX-UWVGGRQHSA-N 1 0 339.396 -1.276 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325111 793690941 /nfs/dbraw/zinc/69/09/41/793690941.db2.gz JWBXXOXCLHRICX-VHSXEESVSA-N 1 0 339.396 -1.276 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325114 793690823 /nfs/dbraw/zinc/69/08/23/793690823.db2.gz JWBXXOXCLHRICX-ZJUUUORDSA-N 1 0 339.396 -1.276 20 0 EAADRO CN(CC[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2)S(C)(=O)=O ZINC001203325260 793690931 /nfs/dbraw/zinc/69/09/31/793690931.db2.gz LFLLJDQGMWRSIU-NXEZZACHSA-N 1 0 332.426 -1.620 20 0 EAADRO CN(CC[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2)S(C)(=O)=O ZINC001203325261 791386973 /nfs/dbraw/zinc/38/69/73/791386973.db2.gz LFLLJDQGMWRSIU-UWVGGRQHSA-N 1 0 332.426 -1.620 20 0 EAADRO CN(CC[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2)S(C)(=O)=O ZINC001203325262 791386570 /nfs/dbraw/zinc/38/65/70/791386570.db2.gz LFLLJDQGMWRSIU-VHSXEESVSA-N 1 0 332.426 -1.620 20 0 EAADRO CN(CC[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2)S(C)(=O)=O ZINC001203325263 791388440 /nfs/dbraw/zinc/38/84/40/791388440.db2.gz LFLLJDQGMWRSIU-ZJUUUORDSA-N 1 0 332.426 -1.620 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325419 791389022 /nfs/dbraw/zinc/38/90/22/791389022.db2.gz MTAMAVTYEFECMH-GHMZBOCLSA-N 1 0 346.453 -1.182 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325422 791389088 /nfs/dbraw/zinc/38/90/88/791389088.db2.gz MTAMAVTYEFECMH-MNOVXSKESA-N 1 0 346.453 -1.182 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325425 791388201 /nfs/dbraw/zinc/38/82/01/791388201.db2.gz MTAMAVTYEFECMH-QWRGUYRKSA-N 1 0 346.453 -1.182 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325426 791388164 /nfs/dbraw/zinc/38/81/64/791388164.db2.gz MTAMAVTYEFECMH-WDEREUQCSA-N 1 0 346.453 -1.182 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2nncs2)C12CCC2 ZINC001203325701 793691032 /nfs/dbraw/zinc/69/10/32/793691032.db2.gz PCNJPHRVXXKFMI-HTQZYQBOSA-N 1 0 338.393 -1.021 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)Nc2nncs2)C12CCC2 ZINC001203325703 793690775 /nfs/dbraw/zinc/69/07/75/793690775.db2.gz PCNJPHRVXXKFMI-JGVFFNPUSA-N 1 0 338.393 -1.021 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)Nc2nncs2)C12CCC2 ZINC001203325705 793690739 /nfs/dbraw/zinc/69/07/39/793690739.db2.gz PCNJPHRVXXKFMI-SFYZADRCSA-N 1 0 338.393 -1.021 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)Nc2nncs2)C12CCC2 ZINC001203325707 793690947 /nfs/dbraw/zinc/69/09/47/793690947.db2.gz PCNJPHRVXXKFMI-YUMQZZPRSA-N 1 0 338.393 -1.021 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325831 791391426 /nfs/dbraw/zinc/39/14/26/791391426.db2.gz QPBWBNCBIPLOBL-WDEREUQCSA-N 1 0 346.453 -1.230 20 0 EAADRO NC(=O)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cnccn2)C12CCC2 ZINC001203325844 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EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001203538267 793692507 /nfs/dbraw/zinc/69/25/07/793692507.db2.gz CKHCRSILSIXNQK-UHFFFAOYSA-N 1 0 345.429 -1.818 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC001203538361 793692481 /nfs/dbraw/zinc/69/24/81/793692481.db2.gz FJBRMAAJNXBFPO-UHFFFAOYSA-N 1 0 344.441 -1.213 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001203538821 793691706 /nfs/dbraw/zinc/69/17/06/793691706.db2.gz KXJZXSMLPBGDLM-UHFFFAOYSA-N 1 0 346.453 -1.309 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203539500 793692241 /nfs/dbraw/zinc/69/22/41/793692241.db2.gz XUZAZXQTVWKHBP-UHFFFAOYSA-N 1 0 348.469 -1.063 20 0 EAADRO Cc1nn(CC(=O)N2CCC([NH2+]CC(=O)N(C)C)CC2)c(=O)n1C ZINC001203544486 793692523 /nfs/dbraw/zinc/69/25/23/793692523.db2.gz FHFPMHSXFYCXFA-UHFFFAOYSA-N 1 0 338.412 -1.441 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001203544612 793692452 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-1.051 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001203544657 793691962 /nfs/dbraw/zinc/69/19/62/793691962.db2.gz IJYIHWNFXLWTEN-SMDDNHRTSA-N 1 0 340.424 -1.051 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001203544677 793691681 /nfs/dbraw/zinc/69/16/81/793691681.db2.gz JLYNKDWKUUDBJI-AWEZNQCLSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001203544678 793692501 /nfs/dbraw/zinc/69/25/01/793692501.db2.gz JLYNKDWKUUDBJI-CQSZACIVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001203544684 793692567 /nfs/dbraw/zinc/69/25/67/793692567.db2.gz JWGVKSDITUNCDX-HNNXBMFYSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001203544685 793691694 /nfs/dbraw/zinc/69/16/94/793691694.db2.gz JWGVKSDITUNCDX-OAHLLOKOSA-N 1 0 343.424 -1.177 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001203545294 793692128 /nfs/dbraw/zinc/69/21/28/793692128.db2.gz UGZNHLVBEIZDFE-CABCVRRESA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001203545295 793693601 /nfs/dbraw/zinc/69/36/01/793693601.db2.gz UGZNHLVBEIZDFE-GJZGRUSLSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001203545296 793693705 /nfs/dbraw/zinc/69/37/05/793693705.db2.gz UGZNHLVBEIZDFE-HUUCEWRRSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001203545297 793693055 /nfs/dbraw/zinc/69/30/55/793693055.db2.gz UGZNHLVBEIZDFE-LSDHHAIUSA-N 1 0 343.424 -1.178 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001203545401 793693648 /nfs/dbraw/zinc/69/36/48/793693648.db2.gz VBGTULPOEKBXLW-CYBMUJFWSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001203545403 793693817 /nfs/dbraw/zinc/69/38/17/793693817.db2.gz VBGTULPOEKBXLW-ZDUSSCGKSA-N 1 0 326.397 -1.440 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001203545454 786116330 /nfs/dbraw/zinc/11/63/30/786116330.db2.gz XABAXRFDUHQJEW-CYBMUJFWSA-N 1 0 341.412 -1.522 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001203545455 786116610 /nfs/dbraw/zinc/11/66/10/786116610.db2.gz XABAXRFDUHQJEW-ZDUSSCGKSA-N 1 0 341.412 -1.522 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001203545456 786116379 /nfs/dbraw/zinc/11/63/79/786116379.db2.gz XBAVBUIKJMRNRA-UHFFFAOYSA-N 1 0 338.412 -1.393 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001203545464 786116834 /nfs/dbraw/zinc/11/68/34/786116834.db2.gz XOLPKBMCYRHBHO-AWEZNQCLSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001203545465 786116541 /nfs/dbraw/zinc/11/65/41/786116541.db2.gz XOLPKBMCYRHBHO-CQSZACIVSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001203550788 793693836 /nfs/dbraw/zinc/69/38/36/793693836.db2.gz BZPSUZJAZQYHSO-UHFFFAOYSA-N 1 0 344.441 -1.213 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC001203550812 793693531 /nfs/dbraw/zinc/69/35/31/793693531.db2.gz DJQZCFAUZKHVHI-UHFFFAOYSA-N 1 0 344.441 -1.213 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203550842 793693488 /nfs/dbraw/zinc/69/34/88/793693488.db2.gz FBWVSMPXZUAKTL-JTQLQIEISA-N 1 0 334.442 -1.407 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203550843 793694003 /nfs/dbraw/zinc/69/40/03/793694003.db2.gz FBWVSMPXZUAKTL-SNVBAGLBSA-N 1 0 334.442 -1.407 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001203550903 786121069 /nfs/dbraw/zinc/12/10/69/786121069.db2.gz FSGCGGGTGQUHAT-UHFFFAOYSA-N 1 0 344.441 -1.250 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC001203550986 793693465 /nfs/dbraw/zinc/69/34/65/793693465.db2.gz HKUQNJMIDSPLGP-UHFFFAOYSA-N 1 0 344.441 -1.213 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1)C(=O)N(C)C ZINC001203550996 793693089 /nfs/dbraw/zinc/69/30/89/793693089.db2.gz HTCQFQQFEHUALB-LLVKDONJSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1)C(=O)N(C)C ZINC001203550997 793693155 /nfs/dbraw/zinc/69/31/55/793693155.db2.gz HTCQFQQFEHUALB-NSHDSACASA-N 1 0 348.469 -1.065 20 0 EAADRO CCCNC(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203551014 786121564 /nfs/dbraw/zinc/12/15/64/786121564.db2.gz ITFFUQGDKMFRLH-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203551026 793693560 /nfs/dbraw/zinc/69/35/60/793693560.db2.gz JKLKZEHPVIRYGN-LLVKDONJSA-N 1 0 332.426 -1.653 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203551027 793693596 /nfs/dbraw/zinc/69/35/96/793693596.db2.gz JKLKZEHPVIRYGN-NSHDSACASA-N 1 0 332.426 -1.653 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001203551063 786121714 /nfs/dbraw/zinc/12/17/14/786121714.db2.gz LJLYNZLFISVUHJ-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001203551064 786121055 /nfs/dbraw/zinc/12/10/55/786121055.db2.gz LJLYNZLFISVUHJ-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203551204 793693520 /nfs/dbraw/zinc/69/35/20/793693520.db2.gz NOCQRDHQXOPMMF-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203551235 786121137 /nfs/dbraw/zinc/12/11/37/786121137.db2.gz PBPYAXKMJJSJGD-GFCCVEGCSA-N 1 0 337.442 -1.534 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203551236 786120866 /nfs/dbraw/zinc/12/08/66/786120866.db2.gz PBPYAXKMJJSJGD-LBPRGKRZSA-N 1 0 337.442 -1.534 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203551238 786120979 /nfs/dbraw/zinc/12/09/79/786120979.db2.gz PEBJDVZAJPMOAX-UHFFFAOYSA-N 1 0 349.413 -2.347 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001203551262 793693185 /nfs/dbraw/zinc/69/31/85/793693185.db2.gz QHTOMBRHMDHJJI-GFCCVEGCSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001203551263 793693731 /nfs/dbraw/zinc/69/37/31/793693731.db2.gz QHTOMBRHMDHJJI-LBPRGKRZSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203551265 793693900 /nfs/dbraw/zinc/69/39/00/793693900.db2.gz QJMJCGYQKFHNMU-UHFFFAOYSA-N 1 0 337.442 -1.533 20 0 EAADRO CC[C@@H]([NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001203551418 786121740 /nfs/dbraw/zinc/12/17/40/786121740.db2.gz TYXYHQPOIZPMEL-LLVKDONJSA-N 1 0 334.442 -1.278 20 0 EAADRO CC[C@H]([NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001203551419 786120882 /nfs/dbraw/zinc/12/08/82/786120882.db2.gz TYXYHQPOIZPMEL-NSHDSACASA-N 1 0 334.442 -1.278 20 0 EAADRO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203551426 793693672 /nfs/dbraw/zinc/69/36/72/793693672.db2.gz UJBWEQMBNJDBGY-UHFFFAOYSA-N 1 0 348.469 -1.017 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001203551576 786120961 /nfs/dbraw/zinc/12/09/61/786120961.db2.gz XCKAKYGNTWANJG-UHFFFAOYSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC001203551584 786121640 /nfs/dbraw/zinc/12/16/40/786121640.db2.gz XGFIMLWYHJEFII-UHFFFAOYSA-N 1 0 344.441 -1.213 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001203551620 793693605 /nfs/dbraw/zinc/69/36/05/793693605.db2.gz YYAHLBZEDVGZTA-UHFFFAOYSA-N 1 0 334.442 -1.453 20 0 EAADRO Cn1cnnc1COCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558387 793693795 /nfs/dbraw/zinc/69/37/95/793693795.db2.gz YRPCDKIVGCYYCB-GHMZBOCLSA-N 1 0 336.396 -1.166 20 0 EAADRO Cn1cnnc1COCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558388 793693215 /nfs/dbraw/zinc/69/32/15/793693215.db2.gz YRPCDKIVGCYYCB-MNOVXSKESA-N 1 0 336.396 -1.166 20 0 EAADRO Cn1cnnc1COCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558389 793693828 /nfs/dbraw/zinc/69/38/28/793693828.db2.gz YRPCDKIVGCYYCB-QWRGUYRKSA-N 1 0 336.396 -1.166 20 0 EAADRO Cn1cnnc1COCC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558390 793693613 /nfs/dbraw/zinc/69/36/13/793693613.db2.gz YRPCDKIVGCYYCB-WDEREUQCSA-N 1 0 336.396 -1.166 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558547 793693987 /nfs/dbraw/zinc/69/39/87/793693987.db2.gz ZQTJXYDQCDUOPG-GHMZBOCLSA-N 1 0 346.453 -1.230 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558548 786128021 /nfs/dbraw/zinc/12/80/21/786128021.db2.gz ZQTJXYDQCDUOPG-MNOVXSKESA-N 1 0 346.453 -1.230 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558551 786127828 /nfs/dbraw/zinc/12/78/28/786127828.db2.gz ZQTJXYDQCDUOPG-QWRGUYRKSA-N 1 0 346.453 -1.230 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203558552 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ZINC001203682972 793695182 /nfs/dbraw/zinc/69/51/82/793695182.db2.gz DSRNWHOFKCBNRD-SECBINFHSA-N 1 0 337.380 -1.185 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001203682978 793695131 /nfs/dbraw/zinc/69/51/31/793695131.db2.gz DSRNWHOFKCBNRD-VIFPVBQESA-N 1 0 337.380 -1.185 20 0 EAADRO COCC[NH2+]C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001203683618 790521097 /nfs/dbraw/zinc/52/10/97/790521097.db2.gz NQGJFWMWJCRBQB-UHFFFAOYSA-N 1 0 333.454 -1.056 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001203684114 793695092 /nfs/dbraw/zinc/69/50/92/793695092.db2.gz RCRJVRZZABQXJC-UHFFFAOYSA-N 1 0 346.453 -1.957 20 0 EAADRO Cn1cc(C(=O)N2CCC([NH2+]CCOCCO)CC2)c(=O)[nH]c1=O ZINC001203684126 793694878 /nfs/dbraw/zinc/69/48/78/793694878.db2.gz RNUCHKIARGUKKD-UHFFFAOYSA-N 1 0 340.380 -1.311 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001203684130 790522661 /nfs/dbraw/zinc/52/26/61/790522661.db2.gz RRKVIIKKOMBMID-UHFFFAOYSA-N 1 0 337.380 -1.184 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001203684158 793694973 /nfs/dbraw/zinc/69/49/73/793694973.db2.gz SSLYCZCPZRSDEH-UHFFFAOYSA-N 1 0 337.380 -1.232 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CCC([NH2+]CCCO)CC1 ZINC001203684560 793694583 /nfs/dbraw/zinc/69/45/83/793694583.db2.gz ZWTNDLNERWUZPY-UHFFFAOYSA-N 1 0 333.454 -1.320 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC001203693413 793694919 /nfs/dbraw/zinc/69/49/19/793694919.db2.gz XWFCRNYONGXNDH-UHFFFAOYSA-N 1 0 331.380 -1.007 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203694118 793695099 /nfs/dbraw/zinc/69/50/99/793695099.db2.gz AVNCFMBXXWKCSN-GHMZBOCLSA-N 1 0 349.395 -1.249 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203694119 793694872 /nfs/dbraw/zinc/69/48/72/793694872.db2.gz AVNCFMBXXWKCSN-MNOVXSKESA-N 1 0 349.395 -1.249 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203694120 793695299 /nfs/dbraw/zinc/69/52/99/793695299.db2.gz AVNCFMBXXWKCSN-QWRGUYRKSA-N 1 0 349.395 -1.249 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203694121 793694851 /nfs/dbraw/zinc/69/48/51/793694851.db2.gz AVNCFMBXXWKCSN-WDEREUQCSA-N 1 0 349.395 -1.249 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 ZINC001203694638 793695032 /nfs/dbraw/zinc/69/50/32/793695032.db2.gz JICQIOGZZIXVOZ-NXEZZACHSA-N 1 0 337.380 -1.699 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 ZINC001203694639 793695281 /nfs/dbraw/zinc/69/52/81/793695281.db2.gz JICQIOGZZIXVOZ-UWVGGRQHSA-N 1 0 337.380 -1.699 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 ZINC001203694640 793694958 /nfs/dbraw/zinc/69/49/58/793694958.db2.gz JICQIOGZZIXVOZ-VHSXEESVSA-N 1 0 337.380 -1.699 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 ZINC001203694641 793695337 /nfs/dbraw/zinc/69/53/37/793695337.db2.gz JICQIOGZZIXVOZ-ZJUUUORDSA-N 1 0 337.380 -1.699 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203696403 793695205 /nfs/dbraw/zinc/69/52/05/793695205.db2.gz ZAVLIWXNOCTWFC-NXEZZACHSA-N 1 0 335.368 -1.510 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203696405 793694517 /nfs/dbraw/zinc/69/45/17/793694517.db2.gz ZAVLIWXNOCTWFC-UWVGGRQHSA-N 1 0 335.368 -1.510 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203696407 793694544 /nfs/dbraw/zinc/69/45/44/793694544.db2.gz ZAVLIWXNOCTWFC-VHSXEESVSA-N 1 0 335.368 -1.510 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cncn2)C12CCC2 ZINC001203696409 793694597 /nfs/dbraw/zinc/69/45/97/793694597.db2.gz ZAVLIWXNOCTWFC-ZJUUUORDSA-N 1 0 335.368 -1.510 20 0 EAADRO NC(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203701147 793694736 /nfs/dbraw/zinc/69/47/36/793694736.db2.gz BRPWBYIKMIEFKK-BDAKNGLRSA-N 1 0 340.384 -1.743 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203701148 793695293 /nfs/dbraw/zinc/69/52/93/793695293.db2.gz BRPWBYIKMIEFKK-DTWKUNHWSA-N 1 0 340.384 -1.743 20 0 EAADRO NC(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203701149 793694665 /nfs/dbraw/zinc/69/46/65/793694665.db2.gz BRPWBYIKMIEFKK-IUCAKERBSA-N 1 0 340.384 -1.743 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203701150 793694527 /nfs/dbraw/zinc/69/45/27/793694527.db2.gz BRPWBYIKMIEFKK-RKDXNWHRSA-N 1 0 340.384 -1.743 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001203701439 793695264 /nfs/dbraw/zinc/69/52/64/793695264.db2.gz DRMUJJGSKNPLCH-NXEZZACHSA-N 1 0 346.391 -1.048 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001203701440 793694757 /nfs/dbraw/zinc/69/47/57/793694757.db2.gz DRMUJJGSKNPLCH-UWVGGRQHSA-N 1 0 346.391 -1.048 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001203701441 793695168 /nfs/dbraw/zinc/69/51/68/793695168.db2.gz DRMUJJGSKNPLCH-VHSXEESVSA-N 1 0 346.391 -1.048 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 ZINC001203701442 793694797 /nfs/dbraw/zinc/69/47/97/793694797.db2.gz DRMUJJGSKNPLCH-ZJUUUORDSA-N 1 0 346.391 -1.048 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 ZINC001203704377 793695349 /nfs/dbraw/zinc/69/53/49/793695349.db2.gz YPPTXIZEIVLCBV-GHMZBOCLSA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 ZINC001203704378 793695010 /nfs/dbraw/zinc/69/50/10/793695010.db2.gz YPPTXIZEIVLCBV-MNOVXSKESA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 ZINC001203704380 793694900 /nfs/dbraw/zinc/69/49/00/793694900.db2.gz YPPTXIZEIVLCBV-QWRGUYRKSA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 ZINC001203704384 793695362 /nfs/dbraw/zinc/69/53/62/793695362.db2.gz YPPTXIZEIVLCBV-WDEREUQCSA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)CCNC(N)=O)C12CCC2 ZINC001203711601 793695111 /nfs/dbraw/zinc/69/51/11/793695111.db2.gz KKNGQLPKRQNVOX-NXEZZACHSA-N 1 0 336.400 -1.215 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCNC(N)=O)C12CCC2 ZINC001203711602 793695140 /nfs/dbraw/zinc/69/51/40/793695140.db2.gz KKNGQLPKRQNVOX-UWVGGRQHSA-N 1 0 336.400 -1.215 20 0 EAADRO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCNC(N)=O)C12CCC2 ZINC001203711603 793694674 /nfs/dbraw/zinc/69/46/74/793694674.db2.gz KKNGQLPKRQNVOX-VHSXEESVSA-N 1 0 336.400 -1.215 20 0 EAADRO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)CCNC(N)=O)C12CCC2 ZINC001203711604 793694621 /nfs/dbraw/zinc/69/46/21/793694621.db2.gz KKNGQLPKRQNVOX-ZJUUUORDSA-N 1 0 336.400 -1.215 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C12CCC2 ZINC001203720498 793694550 /nfs/dbraw/zinc/69/45/50/793694550.db2.gz DPNMGTNLNZBWPU-GHMZBOCLSA-N 1 0 349.391 -1.138 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C12CCC2 ZINC001203720499 793694927 /nfs/dbraw/zinc/69/49/27/793694927.db2.gz DPNMGTNLNZBWPU-MNOVXSKESA-N 1 0 349.391 -1.138 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C12CCC2 ZINC001203720500 793694865 /nfs/dbraw/zinc/69/48/65/793694865.db2.gz DPNMGTNLNZBWPU-QWRGUYRKSA-N 1 0 349.391 -1.138 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C12CCC2 ZINC001203720501 793694637 /nfs/dbraw/zinc/69/46/37/793694637.db2.gz DPNMGTNLNZBWPU-WDEREUQCSA-N 1 0 349.391 -1.138 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203724607 793694748 /nfs/dbraw/zinc/69/47/48/793694748.db2.gz ASHSFWPMWDHQCP-LLVKDONJSA-N 1 0 332.426 -1.653 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203724608 793695026 /nfs/dbraw/zinc/69/50/26/793695026.db2.gz ASHSFWPMWDHQCP-NSHDSACASA-N 1 0 332.426 -1.653 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203724747 790603904 /nfs/dbraw/zinc/60/39/04/790603904.db2.gz DCBBIMTZPKAPIH-GXSJLCMTSA-N 1 0 332.426 -1.607 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203724749 790603952 /nfs/dbraw/zinc/60/39/52/790603952.db2.gz DCBBIMTZPKAPIH-KOLCDFICSA-N 1 0 332.426 -1.607 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203724751 790603763 /nfs/dbraw/zinc/60/37/63/790603763.db2.gz DCBBIMTZPKAPIH-MWLCHTKSSA-N 1 0 332.426 -1.607 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203724752 790603051 /nfs/dbraw/zinc/60/30/51/790603051.db2.gz DCBBIMTZPKAPIH-ONGXEEELSA-N 1 0 332.426 -1.607 20 0 EAADRO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203725014 793696440 /nfs/dbraw/zinc/69/64/40/793696440.db2.gz IJTDISILJVLSLF-GFCCVEGCSA-N 1 0 346.453 -1.215 20 0 EAADRO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203725016 790603294 /nfs/dbraw/zinc/60/32/94/790603294.db2.gz IJTDISILJVLSLF-LBPRGKRZSA-N 1 0 346.453 -1.215 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203725180 790605545 /nfs/dbraw/zinc/60/55/45/790605545.db2.gz JAXXKQLEHDAGIS-NEPJUHHUSA-N 1 0 335.426 -1.734 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203725184 790605189 /nfs/dbraw/zinc/60/51/89/790605189.db2.gz JAXXKQLEHDAGIS-NWDGAFQWSA-N 1 0 335.426 -1.734 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203725186 790605589 /nfs/dbraw/zinc/60/55/89/790605589.db2.gz JAXXKQLEHDAGIS-RYUDHWBXSA-N 1 0 335.426 -1.734 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203725187 790604943 /nfs/dbraw/zinc/60/49/43/790604943.db2.gz JAXXKQLEHDAGIS-VXGBXAGGSA-N 1 0 335.426 -1.734 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203725228 793696268 /nfs/dbraw/zinc/69/62/68/793696268.db2.gz JYORQFVFVXRJMS-SECBINFHSA-N 1 0 347.397 -2.546 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203725229 793696217 /nfs/dbraw/zinc/69/62/17/793696217.db2.gz JYORQFVFVXRJMS-VIFPVBQESA-N 1 0 347.397 -2.546 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC([NH2+]CCOCCO)CC1 ZINC001203725390 793696526 /nfs/dbraw/zinc/69/65/26/793696526.db2.gz LMHJONJDPJUZAO-GFCCVEGCSA-N 1 0 335.426 -1.732 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC([NH2+]CCOCCO)CC1 ZINC001203725391 793696242 /nfs/dbraw/zinc/69/62/42/793696242.db2.gz LMHJONJDPJUZAO-LBPRGKRZSA-N 1 0 335.426 -1.732 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC001203725431 793696469 /nfs/dbraw/zinc/69/64/69/793696469.db2.gz MLQILMSIKDYKTG-UHFFFAOYSA-N 1 0 348.363 -1.430 20 0 EAADRO COCCOCC[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001203725825 790607307 /nfs/dbraw/zinc/60/73/07/790607307.db2.gz QSSFRAJAJSLTMX-CYBMUJFWSA-N 1 0 349.453 -1.078 20 0 EAADRO COCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001203725826 790606927 /nfs/dbraw/zinc/60/69/27/790606927.db2.gz QSSFRAJAJSLTMX-ZDUSSCGKSA-N 1 0 349.453 -1.078 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1)C(=O)N(C)C ZINC001203726192 790612306 /nfs/dbraw/zinc/61/23/06/790612306.db2.gz WKHUWQZYWDHUIX-CMPLNLGQSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1)C(=O)N(C)C ZINC001203726193 790610928 /nfs/dbraw/zinc/61/09/28/790610928.db2.gz WKHUWQZYWDHUIX-JQWIXIFHSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1)C(=O)N(C)C ZINC001203726194 790611784 /nfs/dbraw/zinc/61/17/84/790611784.db2.gz WKHUWQZYWDHUIX-PWSUYJOCSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1)C(=O)N(C)C ZINC001203726195 790611469 /nfs/dbraw/zinc/61/14/69/790611469.db2.gz WKHUWQZYWDHUIX-ZYHUDNBSSA-N 1 0 346.453 -1.265 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001203726252 793696064 /nfs/dbraw/zinc/69/60/64/793696064.db2.gz 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CC[C@@H](C)C(=O)NCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203735884 790648366 /nfs/dbraw/zinc/64/83/66/790648366.db2.gz OEGKAKBBHPPMHO-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001203736045 790650651 /nfs/dbraw/zinc/65/06/51/790650651.db2.gz SBCFEIMSDAANRG-UHFFFAOYSA-N 1 0 330.414 -1.555 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001203736186 790647755 /nfs/dbraw/zinc/64/77/55/790647755.db2.gz UNAVDMPUVXOYFN-UHFFFAOYSA-N 1 0 332.426 -1.652 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001203736280 793696187 /nfs/dbraw/zinc/69/61/87/793696187.db2.gz VSAYPFDXZNLXGF-UHFFFAOYSA-N 1 0 346.453 -1.358 20 0 EAADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001203736328 793696546 /nfs/dbraw/zinc/69/65/46/793696546.db2.gz WHVYSWUCTIRTTO-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CCn1ncnc1C[NH2+]C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001203736332 793696606 /nfs/dbraw/zinc/69/66/06/793696606.db2.gz 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ZINC001203739125 790664700 /nfs/dbraw/zinc/66/47/00/790664700.db2.gz BGSAIWRJASOVQS-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC001203739154 793696417 /nfs/dbraw/zinc/69/64/17/793696417.db2.gz CGYNKKSNVZZTOQ-UHFFFAOYSA-N 1 0 330.414 -1.555 20 0 EAADRO CCn1nncc1C[NH2+]C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001203739174 790664884 /nfs/dbraw/zinc/66/48/84/790664884.db2.gz DGJPXBKNLLWLCO-UHFFFAOYSA-N 1 0 344.441 -1.072 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001203739192 793695784 /nfs/dbraw/zinc/69/57/84/793695784.db2.gz DXCYXLGLADAGMF-UHFFFAOYSA-N 1 0 346.453 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001203739209 790666854 /nfs/dbraw/zinc/66/68/54/790666854.db2.gz FKENNHKSTMPAHE-LLVKDONJSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001203739210 790667014 /nfs/dbraw/zinc/66/70/14/790667014.db2.gz FKENNHKSTMPAHE-NSHDSACASA-N 1 0 332.426 -1.605 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001203739473 793696151 /nfs/dbraw/zinc/69/61/51/793696151.db2.gz GAQUYGKXGTWJEO-UHFFFAOYSA-N 1 0 349.413 -2.428 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)N(C)C(C)C)CC1 ZINC001203739481 793696558 /nfs/dbraw/zinc/69/65/58/793696558.db2.gz GBLHQAJBTOHQBQ-UHFFFAOYSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CCOCCOC)CC1 ZINC001203739547 790668570 /nfs/dbraw/zinc/66/85/70/790668570.db2.gz IMANPYCYCQOZCZ-UHFFFAOYSA-N 1 0 337.442 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001203739550 790669009 /nfs/dbraw/zinc/66/90/09/790669009.db2.gz IRGZJGZRIIYNRH-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001203739551 790668592 /nfs/dbraw/zinc/66/85/92/790668592.db2.gz IRGZJGZRIIYNRH-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CS(=O)(=O)NC)CC2)C1=O ZINC001203739576 793696434 /nfs/dbraw/zinc/69/64/34/793696434.db2.gz JSJRUSPBHXOSAP-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CS(=O)(=O)NC)CC2)C1=O ZINC001203739577 793696253 /nfs/dbraw/zinc/69/62/53/793696253.db2.gz JSJRUSPBHXOSAP-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001203739908 793695875 /nfs/dbraw/zinc/69/58/75/793695875.db2.gz KTYIECOMLATCQB-UHFFFAOYSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC001203740501 793696196 /nfs/dbraw/zinc/69/61/96/793696196.db2.gz OTRPEUXCNNHERC-UHFFFAOYSA-N 1 0 330.414 -1.555 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC(C)C)CC1 ZINC001203740522 793695885 /nfs/dbraw/zinc/69/58/85/793695885.db2.gz PBRGGLHCUHCZPX-UHFFFAOYSA-N 1 0 334.442 -1.359 20 0 EAADRO CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001203740580 790675875 /nfs/dbraw/zinc/67/58/75/790675875.db2.gz QQSJXMFEHGCTIJ-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@H](C)c2nnnn2C)CC1 ZINC001203740611 793696501 /nfs/dbraw/zinc/69/65/01/793696501.db2.gz RFCLCMTXUSCBKW-SECBINFHSA-N 1 0 345.429 -1.599 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C12CCC2 ZINC001203740612 790676751 /nfs/dbraw/zinc/67/67/51/790676751.db2.gz DKSOCOYXZAIOGX-NEPJUHHUSA-N 1 0 349.453 -1.439 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]([NH2+]CCOCCO)C12CCC2 ZINC001203740613 790676103 /nfs/dbraw/zinc/67/61/03/790676103.db2.gz DKSOCOYXZAIOGX-NWDGAFQWSA-N 1 0 349.453 -1.439 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001203740614 793695897 /nfs/dbraw/zinc/69/58/97/793695897.db2.gz RFCLCMTXUSCBKW-VIFPVBQESA-N 1 0 345.429 -1.599 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C12CCC2 ZINC001203740620 790676616 /nfs/dbraw/zinc/67/66/16/790676616.db2.gz DKSOCOYXZAIOGX-RYUDHWBXSA-N 1 0 349.453 -1.439 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCOCCO)C12CCC2 ZINC001203740627 790677170 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/nfs/dbraw/zinc/69/57/44/793695744.db2.gz KMNUHZBYPMTTHP-UWVGGRQHSA-N 1 0 332.426 -1.701 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 ZINC001203742013 793696464 /nfs/dbraw/zinc/69/64/64/793696464.db2.gz KMNUHZBYPMTTHP-VHSXEESVSA-N 1 0 332.426 -1.701 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 ZINC001203742014 793696715 /nfs/dbraw/zinc/69/67/15/793696715.db2.gz KMNUHZBYPMTTHP-ZJUUUORDSA-N 1 0 332.426 -1.701 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 ZINC001203744007 793695866 /nfs/dbraw/zinc/69/58/66/793695866.db2.gz WLVWUIARWCBAQT-GHMZBOCLSA-N 1 0 346.453 -1.311 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 ZINC001203744010 793696577 /nfs/dbraw/zinc/69/65/77/793696577.db2.gz WLVWUIARWCBAQT-MNOVXSKESA-N 1 0 346.453 -1.311 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 ZINC001203744013 793696378 /nfs/dbraw/zinc/69/63/78/793696378.db2.gz WLVWUIARWCBAQT-QWRGUYRKSA-N 1 0 346.453 -1.311 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 ZINC001203744014 793695812 /nfs/dbraw/zinc/69/58/12/793695812.db2.gz WLVWUIARWCBAQT-WDEREUQCSA-N 1 0 346.453 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001203748349 793696344 /nfs/dbraw/zinc/69/63/44/793696344.db2.gz HOZMGVAXJWPOSK-JTQLQIEISA-N 1 0 334.442 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001203748350 793696350 /nfs/dbraw/zinc/69/63/50/793696350.db2.gz HOZMGVAXJWPOSK-SNVBAGLBSA-N 1 0 334.442 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001203748372 790710073 /nfs/dbraw/zinc/71/00/73/790710073.db2.gz IGACUZXDYYCXAK-LLVKDONJSA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001203748373 790709899 /nfs/dbraw/zinc/70/98/99/790709899.db2.gz IGACUZXDYYCXAK-NSHDSACASA-N 1 0 332.426 -1.653 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001203748375 790709766 /nfs/dbraw/zinc/70/97/66/790709766.db2.gz IIGOWKIQRZCDNV-UHFFFAOYSA-N 1 0 330.414 -1.592 20 0 EAADRO CCCS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203748789 793696553 /nfs/dbraw/zinc/69/65/53/793696553.db2.gz NWKIPNVUZBNVQU-UHFFFAOYSA-N 1 0 348.425 -1.413 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC001203748817 790706513 /nfs/dbraw/zinc/70/65/13/790706513.db2.gz PJKJPGIWQIBJKD-UHFFFAOYSA-N 1 0 346.453 -1.261 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001203755429 793696356 /nfs/dbraw/zinc/69/63/56/793696356.db2.gz COBHJXIRCFNLAZ-MRVPVSSYSA-N 1 0 349.413 -2.300 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203755431 793695914 /nfs/dbraw/zinc/69/59/14/793695914.db2.gz COBHJXIRCFNLAZ-QMMMGPOBSA-N 1 0 349.413 -2.300 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001203755553 793696384 /nfs/dbraw/zinc/69/63/84/793696384.db2.gz KGZOCTWGDGEHAW-JTQLQIEISA-N 1 0 346.453 -1.217 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC001203755628 793696709 /nfs/dbraw/zinc/69/67/09/793696709.db2.gz KGZOCTWGDGEHAW-SNVBAGLBSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)(C)NS(=O)(=O)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203755879 793695965 /nfs/dbraw/zinc/69/59/65/793695965.db2.gz VTRTVROYFZSKGL-UHFFFAOYSA-N 1 0 334.442 -1.230 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203762568 793696629 /nfs/dbraw/zinc/69/66/29/793696629.db2.gz SXRPCGFAMRTXNN-GHMZBOCLSA-N 1 0 346.453 -1.230 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203762571 793696682 /nfs/dbraw/zinc/69/66/82/793696682.db2.gz SXRPCGFAMRTXNN-MNOVXSKESA-N 1 0 346.453 -1.230 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203762572 793696583 /nfs/dbraw/zinc/69/65/83/793696583.db2.gz SXRPCGFAMRTXNN-QWRGUYRKSA-N 1 0 346.453 -1.230 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203762573 793696306 /nfs/dbraw/zinc/69/63/06/793696306.db2.gz SXRPCGFAMRTXNN-WDEREUQCSA-N 1 0 346.453 -1.230 20 0 EAADRO NC(=O)C[NH2+]C1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 ZINC001203763434 793696599 /nfs/dbraw/zinc/69/65/99/793696599.db2.gz LUKNMGJYVPWFMF-UHFFFAOYSA-N 1 0 334.380 -1.338 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 ZINC001203763464 793696589 /nfs/dbraw/zinc/69/65/89/793696589.db2.gz OJPXVSVUBBIKFA-UHFFFAOYSA-N 1 0 348.407 -1.077 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)C12CCC2 ZINC001203769968 793696499 /nfs/dbraw/zinc/69/64/99/793696499.db2.gz DFLTYLORLWLMMC-GHMZBOCLSA-N 1 0 349.395 -2.103 20 0 EAADRO NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CNC(=O)Cn2cncn2)C12CCC2 ZINC001203769969 793696043 /nfs/dbraw/zinc/69/60/43/793696043.db2.gz DFLTYLORLWLMMC-MNOVXSKESA-N 1 0 349.395 -2.103 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)Cn2cncn2)C12CCC2 ZINC001203769970 793696372 /nfs/dbraw/zinc/69/63/72/793696372.db2.gz DFLTYLORLWLMMC-QWRGUYRKSA-N 1 0 349.395 -2.103 20 0 EAADRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)C12CCC2 ZINC001203769971 793695850 /nfs/dbraw/zinc/69/58/50/793695850.db2.gz DFLTYLORLWLMMC-WDEREUQCSA-N 1 0 349.395 -2.103 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001203770648 793696655 /nfs/dbraw/zinc/69/66/55/793696655.db2.gz HONMRFYOOCLRNR-GHMZBOCLSA-N 1 0 349.395 -1.860 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001203770649 793696162 /nfs/dbraw/zinc/69/61/62/793696162.db2.gz HONMRFYOOCLRNR-MNOVXSKESA-N 1 0 349.395 -1.860 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001203770650 793696313 /nfs/dbraw/zinc/69/63/13/793696313.db2.gz HONMRFYOOCLRNR-QWRGUYRKSA-N 1 0 349.395 -1.860 20 0 EAADRO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 ZINC001203770651 793696463 /nfs/dbraw/zinc/69/64/63/793696463.db2.gz HONMRFYOOCLRNR-WDEREUQCSA-N 1 0 349.395 -1.860 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C23CCC3)nn1 ZINC001203772041 793696427 /nfs/dbraw/zinc/69/64/27/793696427.db2.gz PMCTYRBVLWARCG-NEPJUHHUSA-N 1 0 336.396 -1.224 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]CCCO)C23CCC3)nn1 ZINC001203772042 793696495 /nfs/dbraw/zinc/69/64/95/793696495.db2.gz PMCTYRBVLWARCG-NWDGAFQWSA-N 1 0 336.396 -1.224 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C23CCC3)nn1 ZINC001203772043 793696479 /nfs/dbraw/zinc/69/64/79/793696479.db2.gz PMCTYRBVLWARCG-RYUDHWBXSA-N 1 0 336.396 -1.224 20 0 EAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCO)C23CCC3)nn1 ZINC001203772044 793696287 /nfs/dbraw/zinc/69/62/87/793696287.db2.gz PMCTYRBVLWARCG-VXGBXAGGSA-N 1 0 336.396 -1.224 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203773332 793696512 /nfs/dbraw/zinc/69/65/12/793696512.db2.gz VSKCDKWYYLDPNV-NEPJUHHUSA-N 1 0 336.396 -1.596 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203773333 793696616 /nfs/dbraw/zinc/69/66/16/793696616.db2.gz VSKCDKWYYLDPNV-NWDGAFQWSA-N 1 0 336.396 -1.596 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203773334 793696475 /nfs/dbraw/zinc/69/64/75/793696475.db2.gz VSKCDKWYYLDPNV-RYUDHWBXSA-N 1 0 336.396 -1.596 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203773335 793695987 /nfs/dbraw/zinc/69/59/87/793695987.db2.gz VSKCDKWYYLDPNV-VXGBXAGGSA-N 1 0 336.396 -1.596 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001203779988 790850262 /nfs/dbraw/zinc/85/02/62/790850262.db2.gz ANLZXNNWGOUPNS-AWEZNQCLSA-N 1 0 340.424 -1.050 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001203779993 790850921 /nfs/dbraw/zinc/85/09/21/790850921.db2.gz ANLZXNNWGOUPNS-CQSZACIVSA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203780053 793696672 /nfs/dbraw/zinc/69/66/72/793696672.db2.gz BPTYCNSRAFXKRJ-AWEZNQCLSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203780055 793696702 /nfs/dbraw/zinc/69/67/02/793696702.db2.gz BPTYCNSRAFXKRJ-CQSZACIVSA-N 1 0 340.424 -1.098 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001203781204 793696338 /nfs/dbraw/zinc/69/63/38/793696338.db2.gz KTWXHJUVYPPGTG-CABCVRRESA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001203781205 793696736 /nfs/dbraw/zinc/69/67/36/793696736.db2.gz KTWXHJUVYPPGTG-GJZGRUSLSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001203781206 793696173 /nfs/dbraw/zinc/69/61/73/793696173.db2.gz KTWXHJUVYPPGTG-HUUCEWRRSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001203781207 793697898 /nfs/dbraw/zinc/69/78/98/793697898.db2.gz KTWXHJUVYPPGTG-LSDHHAIUSA-N 1 0 343.424 -1.178 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001203781236 793697703 /nfs/dbraw/zinc/69/77/03/793697703.db2.gz LKJHZDSJDULCCJ-CYBMUJFWSA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001203781237 793698225 /nfs/dbraw/zinc/69/82/25/793698225.db2.gz LKJHZDSJDULCCJ-ZDUSSCGKSA-N 1 0 326.397 -1.440 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203782545 790878690 /nfs/dbraw/zinc/87/86/90/790878690.db2.gz USVSYUOIPPVLNK-HNNXBMFYSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203782546 790878411 /nfs/dbraw/zinc/87/84/11/790878411.db2.gz USVSYUOIPPVLNK-OAHLLOKOSA-N 1 0 343.424 -1.177 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001203782557 793698204 /nfs/dbraw/zinc/69/82/04/793698204.db2.gz UWKBHSIWYRIQKA-BXUZGUMPSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001203782558 793698140 /nfs/dbraw/zinc/69/81/40/793698140.db2.gz UWKBHSIWYRIQKA-FZMZJTMJSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001203782560 793697475 /nfs/dbraw/zinc/69/74/75/793697475.db2.gz UWKBHSIWYRIQKA-RISCZKNCSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001203782561 793697567 /nfs/dbraw/zinc/69/75/67/793697567.db2.gz UWKBHSIWYRIQKA-SMDDNHRTSA-N 1 0 340.424 -1.051 20 0 EAADRO CCN1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203798391 793697644 /nfs/dbraw/zinc/69/76/44/793697644.db2.gz SWLWQONBUZYPIO-GFCCVEGCSA-N 1 0 341.412 -1.517 20 0 EAADRO CCN1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203798392 793697766 /nfs/dbraw/zinc/69/77/66/793697766.db2.gz SWLWQONBUZYPIO-LBPRGKRZSA-N 1 0 341.412 -1.517 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001203798533 790968233 /nfs/dbraw/zinc/96/82/33/790968233.db2.gz XZRAFEDIHOYAPQ-JTQLQIEISA-N 1 0 346.409 -1.661 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001203798534 790966349 /nfs/dbraw/zinc/96/63/49/790966349.db2.gz XZRAFEDIHOYAPQ-SNVBAGLBSA-N 1 0 346.409 -1.661 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001203825854 793697347 /nfs/dbraw/zinc/69/73/47/793697347.db2.gz XZZWXXBRFSUDSE-UHFFFAOYSA-N 1 0 348.363 -1.430 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203836574 793698170 /nfs/dbraw/zinc/69/81/70/793698170.db2.gz YLRPVBYDHYUJFQ-NXEZZACHSA-N 1 0 339.396 -1.146 20 0 EAADRO NC(=O)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203836576 793698231 /nfs/dbraw/zinc/69/82/31/793698231.db2.gz YLRPVBYDHYUJFQ-UWVGGRQHSA-N 1 0 339.396 -1.146 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203836577 793698198 /nfs/dbraw/zinc/69/81/98/793698198.db2.gz YLRPVBYDHYUJFQ-VHSXEESVSA-N 1 0 339.396 -1.146 20 0 EAADRO NC(=O)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203836579 793697717 /nfs/dbraw/zinc/69/77/17/793697717.db2.gz YLRPVBYDHYUJFQ-ZJUUUORDSA-N 1 0 339.396 -1.146 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203846367 791101678 /nfs/dbraw/zinc/10/16/78/791101678.db2.gz CTAMOLIWWLBOSA-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203846368 791102993 /nfs/dbraw/zinc/10/29/93/791102993.db2.gz CTAMOLIWWLBOSA-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 ZINC001203846605 793698098 /nfs/dbraw/zinc/69/80/98/793698098.db2.gz DROJNZZKXJJWBM-UHFFFAOYSA-N 1 0 348.469 -1.063 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 ZINC001203846977 793697949 /nfs/dbraw/zinc/69/79/49/793697949.db2.gz KBZBDEQOICSREO-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 ZINC001203846978 793698209 /nfs/dbraw/zinc/69/82/09/793698209.db2.gz KBZBDEQOICSREO-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1)C(N)=O ZINC001203847202 793697251 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O=C(Cn1cncn1)NCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203876166 793698153 /nfs/dbraw/zinc/69/81/53/793698153.db2.gz HIJJYKYPEZGSKY-GFCCVEGCSA-N 1 0 349.395 -2.137 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203876167 793697866 /nfs/dbraw/zinc/69/78/66/793697866.db2.gz HIJJYKYPEZGSKY-LBPRGKRZSA-N 1 0 349.395 -2.137 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001203876171 793697859 /nfs/dbraw/zinc/69/78/59/793697859.db2.gz HKSHRWQSQXCWTL-UHFFFAOYSA-N 1 0 339.396 -1.322 20 0 EAADRO CNC(=O)C[NH2+]C1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001203877530 791159033 /nfs/dbraw/zinc/15/90/33/791159033.db2.gz WTEPHABDDVXOJS-UHFFFAOYSA-N 1 0 337.384 -2.279 20 0 EAADRO C[C@H]([NH2+]C1CCN(C(=O)CNC(=O)Cn2cncn2)CC1)C(N)=O ZINC001203877674 793697709 /nfs/dbraw/zinc/69/77/09/793697709.db2.gz ZHRVYTIZONOOLY-JTQLQIEISA-N 1 0 337.384 -2.151 20 0 EAADRO C[C@@H]([NH2+]C1CCN(C(=O)CNC(=O)Cn2cncn2)CC1)C(N)=O ZINC001203877677 793697452 /nfs/dbraw/zinc/69/74/52/793697452.db2.gz ZHRVYTIZONOOLY-SNVBAGLBSA-N 1 0 337.384 -2.151 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC001203877697 793697883 /nfs/dbraw/zinc/69/78/83/793697883.db2.gz ZPUHFKOQQRLKPT-UHFFFAOYSA-N 1 0 348.367 -1.442 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203895939 793697559 /nfs/dbraw/zinc/69/75/59/793697559.db2.gz DGHMHIFEPJSGAR-UHFFFAOYSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001203896537 793697790 /nfs/dbraw/zinc/69/77/90/793697790.db2.gz PMODSYFBYJTWHV-UHFFFAOYSA-N 1 0 338.416 -1.002 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001203896542 793697622 /nfs/dbraw/zinc/69/76/22/793697622.db2.gz PYUHEEROLKXLGM-LLVKDONJSA-N 1 0 340.384 -2.035 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001203896558 793697220 /nfs/dbraw/zinc/69/72/20/793697220.db2.gz PYUHEEROLKXLGM-NSHDSACASA-N 1 0 340.384 -2.035 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC([NH2+]CCOCCO)CC2)nn1 ZINC001203897137 793697738 /nfs/dbraw/zinc/69/77/38/793697738.db2.gz ZVGKVUMCFOJWIZ-UHFFFAOYSA-N 1 0 340.384 -2.034 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC([NH2+]CCCO)CC2)nn1 ZINC001203902539 793698218 /nfs/dbraw/zinc/69/82/18/793698218.db2.gz FEAUJTROQCNEMN-UHFFFAOYSA-N 1 0 338.412 -1.057 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CCC([NH2+]CC(=O)NC3CC3)CC2)nn1 ZINC001203902561 793697572 /nfs/dbraw/zinc/69/75/72/793697572.db2.gz GCOWUNVZRPJXRQ-UHFFFAOYSA-N 1 0 349.395 -1.764 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203904002 793698188 /nfs/dbraw/zinc/69/81/88/793698188.db2.gz QAZGFYAAXNZZMP-UHFFFAOYSA-N 1 0 334.398 -1.803 20 0 EAADRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001203904312 791213979 /nfs/dbraw/zinc/21/39/79/791213979.db2.gz RLPZBAVZZRPDAG-UHFFFAOYSA-N 1 0 337.384 -1.954 20 0 EAADRO CCNC(=O)C[NH2+]C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001203904377 793698176 /nfs/dbraw/zinc/69/81/76/793698176.db2.gz UKIPKNWKXJGBDD-UHFFFAOYSA-N 1 0 337.384 -1.906 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001203904483 793698029 /nfs/dbraw/zinc/69/80/29/793698029.db2.gz YCEIGFPEWJVEAI-SECBINFHSA-N 1 0 348.425 -1.415 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203904484 791211483 /nfs/dbraw/zinc/21/14/83/791211483.db2.gz YCEIGFPEWJVEAI-VIFPVBQESA-N 1 0 348.425 -1.415 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001203904495 793697594 /nfs/dbraw/zinc/69/75/94/793697594.db2.gz YJYIETQBOIUVHO-SECBINFHSA-N 1 0 337.384 -1.908 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001203904496 793697805 /nfs/dbraw/zinc/69/78/05/793697805.db2.gz YJYIETQBOIUVHO-VIFPVBQESA-N 1 0 337.384 -1.908 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001203910140 791221289 /nfs/dbraw/zinc/22/12/89/791221289.db2.gz CVRQPBDUSDAFHO-UHFFFAOYSA-N 1 0 330.414 -1.275 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001203911128 793697518 /nfs/dbraw/zinc/69/75/18/793697518.db2.gz UFHGKAWHIFTQDU-UHFFFAOYSA-N 1 0 348.425 -1.543 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001203911161 791221643 /nfs/dbraw/zinc/22/16/43/791221643.db2.gz UTWKNYVKRLUWFG-UHFFFAOYSA-N 1 0 345.425 -1.376 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001203911231 791222343 /nfs/dbraw/zinc/22/23/43/791222343.db2.gz VKDRORYIFGIGFA-LLVKDONJSA-N 1 0 345.421 -1.193 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001203911232 791222113 /nfs/dbraw/zinc/22/21/13/791222113.db2.gz VKDRORYIFGIGFA-NSHDSACASA-N 1 0 345.421 -1.193 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCC1=O ZINC001203911371 793697269 /nfs/dbraw/zinc/69/72/69/793697269.db2.gz YCKJVRGXCQKUEW-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO CN1C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCC1=O ZINC001203911372 793697688 /nfs/dbraw/zinc/69/76/88/793697688.db2.gz YCKJVRGXCQKUEW-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO CCOCCOCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203940810 791284037 /nfs/dbraw/zinc/28/40/37/791284037.db2.gz AJHKMOZFAMLJLA-UHFFFAOYSA-N 1 0 330.385 -1.185 20 0 EAADRO Cn1cc(C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)n(C)c1=O ZINC001203940890 791283889 /nfs/dbraw/zinc/28/38/89/791283889.db2.gz DCRDQSREBSJFLP-UHFFFAOYSA-N 1 0 344.437 -1.037 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001203941142 793698078 /nfs/dbraw/zinc/69/80/78/793698078.db2.gz HANRWTKAPFNOOZ-GFCCVEGCSA-N 1 0 326.397 -1.075 20 0 EAADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001203941143 793697959 /nfs/dbraw/zinc/69/79/59/793697959.db2.gz HANRWTKAPFNOOZ-LBPRGKRZSA-N 1 0 326.397 -1.075 20 0 EAADRO Cn1cc(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)n(C)c1=O ZINC001203943258 791293084 /nfs/dbraw/zinc/29/30/84/791293084.db2.gz ZTXQIYKOQMEDSG-UHFFFAOYSA-N 1 0 338.368 -1.887 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203949752 791302688 /nfs/dbraw/zinc/30/26/88/791302688.db2.gz CTQLEDCEYWWXQK-SECBINFHSA-N 1 0 348.425 -1.557 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203949758 791304355 /nfs/dbraw/zinc/30/43/55/791304355.db2.gz CTQLEDCEYWWXQK-VIFPVBQESA-N 1 0 348.425 -1.557 20 0 EAADRO Cn1cc(C(=O)N2CCC([NH2+]CCOCCO)CC2)n(C)c1=O ZINC001203951661 791314704 /nfs/dbraw/zinc/31/47/04/791314704.db2.gz XSTOCKPIFWXXBJ-UHFFFAOYSA-N 1 0 326.397 -1.073 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001203951666 791314711 /nfs/dbraw/zinc/31/47/11/791314711.db2.gz XXAORHUJBDDEFO-JTQLQIEISA-N 1 0 344.441 -1.029 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001203951667 791314279 /nfs/dbraw/zinc/31/42/79/791314279.db2.gz XXAORHUJBDDEFO-SNVBAGLBSA-N 1 0 344.441 -1.029 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203965527 793698884 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ZINC001204551086 785144931 /nfs/dbraw/zinc/14/49/31/785144931.db2.gz GFPULEUASWGMSE-GFCCVEGCSA-N 1 0 342.396 -1.314 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001204551100 785144919 /nfs/dbraw/zinc/14/49/19/785144919.db2.gz GFPULEUASWGMSE-LBPRGKRZSA-N 1 0 342.396 -1.314 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001204551783 793701532 /nfs/dbraw/zinc/70/15/32/793701532.db2.gz KCYMWBHEVCVNHO-LLVKDONJSA-N 1 0 328.369 -1.575 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001204551784 793701323 /nfs/dbraw/zinc/70/13/23/793701323.db2.gz KCYMWBHEVCVNHO-NSHDSACASA-N 1 0 328.369 -1.575 20 0 EAADRO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2COCCO2)CC1)C(=O)NC(N)=O ZINC001204552143 793701578 /nfs/dbraw/zinc/70/15/78/793701578.db2.gz MHGKNTGKODWIED-CMPLNLGQSA-N 1 0 342.396 -1.187 20 0 EAADRO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2COCCO2)CC1)C(=O)NC(N)=O ZINC001204552144 793701675 /nfs/dbraw/zinc/70/16/75/793701675.db2.gz MHGKNTGKODWIED-JQWIXIFHSA-N 1 0 342.396 -1.187 20 0 EAADRO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2COCCO2)CC1)C(=O)NC(N)=O ZINC001204552145 793701496 /nfs/dbraw/zinc/70/14/96/793701496.db2.gz MHGKNTGKODWIED-PWSUYJOCSA-N 1 0 342.396 -1.187 20 0 EAADRO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2COCCO2)CC1)C(=O)NC(N)=O ZINC001204552146 793701574 /nfs/dbraw/zinc/70/15/74/793701574.db2.gz MHGKNTGKODWIED-ZYHUDNBSSA-N 1 0 342.396 -1.187 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001204573479 785163180 /nfs/dbraw/zinc/16/31/80/785163180.db2.gz MNPTWVKMSRYNTJ-UHFFFAOYSA-N 1 0 327.385 -1.512 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001204573804 793701799 /nfs/dbraw/zinc/70/17/99/793701799.db2.gz ONHMPVONFPRZDU-UHFFFAOYSA-N 1 0 348.469 -1.158 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)=O)CC1 ZINC001204574445 785165813 /nfs/dbraw/zinc/16/58/13/785165813.db2.gz WGPJBZHWAYGCHQ-UHFFFAOYSA-N 1 0 341.412 -1.252 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001204580511 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/nfs/dbraw/zinc/71/22/45/793712245.db2.gz WORLLTBOLKKICZ-JTQLQIEISA-N 1 0 325.369 -1.854 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001205867457 793712596 /nfs/dbraw/zinc/71/25/96/793712596.db2.gz WORLLTBOLKKICZ-SNVBAGLBSA-N 1 0 325.369 -1.854 20 0 EAADRO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001205867684 793712230 /nfs/dbraw/zinc/71/22/30/793712230.db2.gz YYCWDBDBZHSLBF-GXSJLCMTSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001205867685 793712087 /nfs/dbraw/zinc/71/20/87/793712087.db2.gz YYCWDBDBZHSLBF-KOLCDFICSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001205867687 793713112 /nfs/dbraw/zinc/71/31/12/793713112.db2.gz YYCWDBDBZHSLBF-MWLCHTKSSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCNC2=O)CC1)C(=O)NC(N)=O ZINC001205867689 793712559 /nfs/dbraw/zinc/71/25/59/793712559.db2.gz YYCWDBDBZHSLBF-ONGXEEELSA-N 1 0 339.396 -1.466 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)NC1=O ZINC001205867701 793712840 /nfs/dbraw/zinc/71/28/40/793712840.db2.gz ZGQKIDABKHJTNV-JTQLQIEISA-N 1 0 340.384 -1.967 20 0 EAADRO CN1C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)NC1=O ZINC001205867703 793713079 /nfs/dbraw/zinc/71/30/79/793713079.db2.gz ZGQKIDABKHJTNV-SNVBAGLBSA-N 1 0 340.384 -1.967 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001205872119 793713268 /nfs/dbraw/zinc/71/32/68/793713268.db2.gz IFKYYJZARGOVGI-JTQLQIEISA-N 1 0 341.412 -1.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 ZINC001205872120 793713909 /nfs/dbraw/zinc/71/39/09/793713909.db2.gz IFKYYJZARGOVGI-SNVBAGLBSA-N 1 0 341.412 -1.218 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001205873864 793715204 /nfs/dbraw/zinc/71/52/04/793715204.db2.gz VALUWYIPJBBVTD-JTQLQIEISA-N 1 0 338.412 -1.052 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001205873871 793714010 /nfs/dbraw/zinc/71/40/10/793714010.db2.gz VALUWYIPJBBVTD-SNVBAGLBSA-N 1 0 338.412 -1.052 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205873955 793713588 /nfs/dbraw/zinc/71/35/88/793713588.db2.gz WCRDVNHPAXLLSK-SECBINFHSA-N 1 0 327.385 -1.479 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205873961 793714439 /nfs/dbraw/zinc/71/44/39/793714439.db2.gz WCRDVNHPAXLLSK-VIFPVBQESA-N 1 0 327.385 -1.479 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001205878865 793714169 /nfs/dbraw/zinc/71/41/69/793714169.db2.gz HFHOCFVGFLHGSP-GHMZBOCLSA-N 1 0 339.396 -1.479 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001205878866 793713877 /nfs/dbraw/zinc/71/38/77/793713877.db2.gz HFHOCFVGFLHGSP-MNOVXSKESA-N 1 0 339.396 -1.479 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001205878867 793714864 /nfs/dbraw/zinc/71/48/64/793714864.db2.gz HFHOCFVGFLHGSP-QWRGUYRKSA-N 1 0 339.396 -1.479 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001205878868 793713674 /nfs/dbraw/zinc/71/36/74/793713674.db2.gz HFHOCFVGFLHGSP-WDEREUQCSA-N 1 0 339.396 -1.479 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001205879136 793715113 /nfs/dbraw/zinc/71/51/13/793715113.db2.gz OXRBKNLQWBIMAX-NXEZZACHSA-N 1 0 341.412 -1.091 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001205879137 793715310 /nfs/dbraw/zinc/71/53/10/793715310.db2.gz OXRBKNLQWBIMAX-UWVGGRQHSA-N 1 0 341.412 -1.091 20 0 EAADRO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1)C(=O)NC(N)=O ZINC001205879138 793714479 /nfs/dbraw/zinc/71/44/79/793714479.db2.gz OXRBKNLQWBIMAX-VHSXEESVSA-N 1 0 341.412 -1.091 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001205879139 793713965 /nfs/dbraw/zinc/71/39/65/793713965.db2.gz OXRBKNLQWBIMAX-ZJUUUORDSA-N 1 0 341.412 -1.091 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001205879306 793713787 /nfs/dbraw/zinc/71/37/87/793713787.db2.gz SZTPOITZVKPYFW-LLVKDONJSA-N 1 0 348.469 -1.125 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001205879307 793713691 /nfs/dbraw/zinc/71/36/91/793713691.db2.gz SZTPOITZVKPYFW-NSHDSACASA-N 1 0 348.469 -1.125 20 0 EAADRO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895609 793714081 /nfs/dbraw/zinc/71/40/81/793714081.db2.gz BOZJRGWPKAUJNA-VXGBXAGGSA-N 1 0 338.416 -1.183 20 0 EAADRO C[C@H](CN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1)CS(C)(=O)=O ZINC001205895636 793714794 /nfs/dbraw/zinc/71/47/94/793714794.db2.gz CTAPVWHDCDFLKE-IJLUTSLNSA-N 1 0 344.441 -1.210 20 0 EAADRO C[C@@H](CN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1)CS(C)(=O)=O ZINC001205895637 793714258 /nfs/dbraw/zinc/71/42/58/793714258.db2.gz CTAPVWHDCDFLKE-QJPTWQEYSA-N 1 0 344.441 -1.210 20 0 EAADRO CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895809 793713707 /nfs/dbraw/zinc/71/37/07/793713707.db2.gz GJTSTZPMOBZWLC-NXEZZACHSA-N 1 0 338.372 -2.045 20 0 EAADRO C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205895834 793714178 /nfs/dbraw/zinc/71/41/78/793714178.db2.gz HCKDNILBCZUVRI-GHMZBOCLSA-N 1 0 345.429 -1.999 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896037 793714282 /nfs/dbraw/zinc/71/42/82/793714282.db2.gz KTQLWSICDXNGGT-KXUCPTDWSA-N 1 0 338.372 -2.046 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896038 793713981 /nfs/dbraw/zinc/71/39/81/793713981.db2.gz KTQLWSICDXNGGT-OPRDCNLKSA-N 1 0 338.372 -2.046 20 0 EAADRO CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896055 793715145 /nfs/dbraw/zinc/71/51/45/793715145.db2.gz LKIKKSDQZMUFSD-GHMZBOCLSA-N 1 0 345.429 -1.951 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896207 793713796 /nfs/dbraw/zinc/71/37/96/793713796.db2.gz MSAZLOBMBZFORI-DGCLKSJQSA-N 1 0 339.400 -1.738 20 0 EAADRO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896218 793714576 /nfs/dbraw/zinc/71/45/76/793714576.db2.gz NJUCHQBYWXQOTI-NXEZZACHSA-N 1 0 331.402 -2.341 20 0 EAADRO CCOCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896247 793714934 /nfs/dbraw/zinc/71/49/34/793714934.db2.gz OXAPZMIPVQTPMR-VXGBXAGGSA-N 1 0 339.400 -1.738 20 0 EAADRO CCS(=O)(=O)CCCN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896274 793714891 /nfs/dbraw/zinc/71/48/91/793714891.db2.gz PLEIBVNJMFOBGS-VXGBXAGGSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896310 793714729 /nfs/dbraw/zinc/71/47/29/793714729.db2.gz RIJHXUWCBRIOAF-GHMZBOCLSA-N 1 0 330.414 -1.456 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896371 793714501 /nfs/dbraw/zinc/71/45/01/793714501.db2.gz VCJROZXVPNOVIT-FRRDWIJNSA-N 1 0 342.400 -1.867 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896372 793714209 /nfs/dbraw/zinc/71/42/09/793714209.db2.gz VCJROZXVPNOVIT-JHJVBQTASA-N 1 0 342.400 -1.867 20 0 EAADRO COCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896432 793715282 /nfs/dbraw/zinc/71/52/82/793715282.db2.gz XMIRHEFKZYNSOP-VXGBXAGGSA-N 1 0 339.400 -1.738 20 0 EAADRO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896487 793713507 /nfs/dbraw/zinc/71/35/07/793713507.db2.gz ZXSULSOIVCPBMT-DGCLKSJQSA-N 1 0 335.412 -1.022 20 0 EAADRO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC001205901976 793713758 /nfs/dbraw/zinc/71/37/58/793713758.db2.gz MKXGOKBCBNFOHJ-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001205902832 793715245 /nfs/dbraw/zinc/71/52/45/793715245.db2.gz UUCHAHLQHMHUHL-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001205909337 793715025 /nfs/dbraw/zinc/71/50/25/793715025.db2.gz MBNFXFZIUWMUOE-GMTAPVOTSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001205909338 793715226 /nfs/dbraw/zinc/71/52/26/793715226.db2.gz MBNFXFZIUWMUOE-OUAUKWLOSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC001205909491 793714418 /nfs/dbraw/zinc/71/44/18/793714418.db2.gz SOQKJGOQSBNVAC-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO C[C@@H]1CN(CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205913658 793714459 /nfs/dbraw/zinc/71/44/59/793714459.db2.gz ISWGVNQENOINMA-GRYCIOLGSA-N 1 0 341.412 -1.756 20 0 EAADRO C[C@@H]1CN(CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205913659 793714847 /nfs/dbraw/zinc/71/48/47/793714847.db2.gz ISWGVNQENOINMA-IJLUTSLNSA-N 1 0 341.412 -1.756 20 0 EAADRO CCS(=O)(=O)CCCN1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205914064 793715165 /nfs/dbraw/zinc/71/51/65/793715165.db2.gz PTBWOGSLQASSLD-GHMZBOCLSA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@H](CN1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1)CS(C)(=O)=O ZINC001205914625 793714814 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CC(=O)N1CCOC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001206937660 793732838 /nfs/dbraw/zinc/73/28/38/793732838.db2.gz LQQUMBWYEDAQGU-FZMZJTMJSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001206937661 793733248 /nfs/dbraw/zinc/73/32/48/793733248.db2.gz LQQUMBWYEDAQGU-RISCZKNCSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001206937662 793732913 /nfs/dbraw/zinc/73/29/13/793732913.db2.gz LQQUMBWYEDAQGU-SMDDNHRTSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206937796 793733101 /nfs/dbraw/zinc/73/31/01/793733101.db2.gz RWTMPVDAJIYLOJ-CYBMUJFWSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(=O)N1CCOC[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206937797 793732483 /nfs/dbraw/zinc/73/24/83/793732483.db2.gz RWTMPVDAJIYLOJ-ZDUSSCGKSA-N 1 0 326.397 -1.453 20 0 EAADRO NC(=O)C[NH2+]CC1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 ZINC001206938859 793731952 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C[C@H](O)C[NH2+]CC1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001206948767 793732424 /nfs/dbraw/zinc/73/24/24/793732424.db2.gz ACLOUMJNVNAPHY-LBPRGKRZSA-N 1 0 338.412 -1.397 20 0 EAADRO O=C(Cn1cncn1)NCC(=O)N1CCC(C[NH2+]CCCO)CC1 ZINC001206948796 793732027 /nfs/dbraw/zinc/73/20/27/793732027.db2.gz BLFIJTLFBRBIEO-UHFFFAOYSA-N 1 0 338.412 -1.395 20 0 EAADRO NC(=O)C[NH2+]CC1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001206949154 793733039 /nfs/dbraw/zinc/73/30/39/793733039.db2.gz SIIXBUAHFVQTGU-UHFFFAOYSA-N 1 0 337.384 -2.292 20 0 EAADRO COCC[NH2+]CC1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001206949162 793732600 /nfs/dbraw/zinc/73/26/00/793732600.db2.gz SMXARDRYXVTNJE-UHFFFAOYSA-N 1 0 338.412 -1.131 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206951168 793732298 /nfs/dbraw/zinc/73/22/98/793732298.db2.gz BBQDXVITWCZIPK-UHFFFAOYSA-N 1 0 348.425 -1.556 20 0 EAADRO CCS(=O)(=O)CC(=O)N1CCC(C[NH2+]Cc2nnnn2C)CC1 ZINC001206951264 793732971 /nfs/dbraw/zinc/73/29/71/793732971.db2.gz HSTHIZQCUQCUOV-UHFFFAOYSA-N 1 0 344.441 -1.027 20 0 EAADRO C[C@@H]([NH2+]CC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1)C(N)=O ZINC001206951276 793732138 /nfs/dbraw/zinc/73/21/38/793732138.db2.gz IQTXDGDWOUOAAF-SECBINFHSA-N 1 0 337.384 -1.921 20 0 EAADRO C[C@H]([NH2+]CC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1)C(N)=O ZINC001206951277 793732212 /nfs/dbraw/zinc/73/22/12/793732212.db2.gz IQTXDGDWOUOAAF-VIFPVBQESA-N 1 0 337.384 -1.921 20 0 EAADRO CNC(=O)C[NH2+]CC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001206951327 793733239 /nfs/dbraw/zinc/73/32/39/793733239.db2.gz KYFOVEXWXQEBKB-UHFFFAOYSA-N 1 0 337.384 -2.049 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC(C[NH2+]CCO)CC2)nn1 ZINC001206951360 793731993 /nfs/dbraw/zinc/73/19/93/793731993.db2.gz NAOAOYBRLCFRHQ-UHFFFAOYSA-N 1 0 338.412 -1.200 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2C)nn1 ZINC001206952685 793732920 /nfs/dbraw/zinc/73/29/20/793732920.db2.gz ADOZKNFDLXLSDT-FRRDWIJNSA-N 1 0 341.412 -1.018 20 0 EAADRO 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CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001206970197 793735010 /nfs/dbraw/zinc/73/50/10/793735010.db2.gz GTHQIMTWIWIPHT-GMTAPVOTSA-N 1 0 334.442 -1.374 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001206970198 793734938 /nfs/dbraw/zinc/73/49/38/793734938.db2.gz GTHQIMTWIWIPHT-MXWKQRLJSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)NC(N)=O ZINC001206970337 793735049 /nfs/dbraw/zinc/73/50/49/793735049.db2.gz MSMSAEDNJIZHQF-GRYCIOLGSA-N 1 0 340.428 -1.105 20 0 EAADRO C[C@H](CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)NC(N)=O ZINC001206970338 793733841 /nfs/dbraw/zinc/73/38/41/793733841.db2.gz MSMSAEDNJIZHQF-IJLUTSLNSA-N 1 0 340.428 -1.105 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001206970475 793734313 /nfs/dbraw/zinc/73/43/13/793734313.db2.gz SPUBSLZDWBIEDK-GRYCIOLGSA-N 1 0 336.458 -1.458 20 0 EAADRO 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CN(CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1)S(C)(=O)=O ZINC001207957893 793764480 /nfs/dbraw/zinc/76/44/80/793764480.db2.gz KEAUPSZAMMRVJP-GHMZBOCLSA-N 1 0 348.425 -1.433 20 0 EAADRO CN(CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1)S(C)(=O)=O ZINC001207957904 793764150 /nfs/dbraw/zinc/76/41/50/793764150.db2.gz KEAUPSZAMMRVJP-MNOVXSKESA-N 1 0 348.425 -1.433 20 0 EAADRO CN(CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1)S(C)(=O)=O ZINC001207957905 793764580 /nfs/dbraw/zinc/76/45/80/793764580.db2.gz KEAUPSZAMMRVJP-QWRGUYRKSA-N 1 0 348.425 -1.433 20 0 EAADRO CN(CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1)S(C)(=O)=O ZINC001207957906 793763893 /nfs/dbraw/zinc/76/38/93/793763893.db2.gz KEAUPSZAMMRVJP-WDEREUQCSA-N 1 0 348.425 -1.433 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001207958149 793764322 /nfs/dbraw/zinc/76/43/22/793764322.db2.gz MWVUCSSLEZMQKA-LLVKDONJSA-N 1 0 344.441 -1.051 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001207958154 793764139 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/nfs/dbraw/zinc/76/54/48/793765448.db2.gz GMTRCTBRWRCGER-NSHDSACASA-N 1 0 349.395 -1.049 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207974660 793765367 /nfs/dbraw/zinc/76/53/67/793765367.db2.gz IVNHFPGYDBNUNI-NXEZZACHSA-N 1 0 337.384 -1.147 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207974661 793765353 /nfs/dbraw/zinc/76/53/53/793765353.db2.gz IVNHFPGYDBNUNI-UWVGGRQHSA-N 1 0 337.384 -1.147 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207974662 793766114 /nfs/dbraw/zinc/76/61/14/793766114.db2.gz IVNHFPGYDBNUNI-VHSXEESVSA-N 1 0 337.384 -1.147 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207974663 793765559 /nfs/dbraw/zinc/76/55/59/793765559.db2.gz IVNHFPGYDBNUNI-ZJUUUORDSA-N 1 0 337.384 -1.147 20 0 EAADRO CN(CC[NH2+][C@@H]1CCCN(C(=O)c2cn(C)nn2)C1)S(C)(=O)=O ZINC001207974664 793765131 /nfs/dbraw/zinc/76/51/31/793765131.db2.gz IWKDPGSRLMAIFV-LLVKDONJSA-N 1 0 344.441 -1.099 20 0 EAADRO CN(CC[NH2+][C@H]1CCCN(C(=O)c2cn(C)nn2)C1)S(C)(=O)=O ZINC001207974665 793765054 /nfs/dbraw/zinc/76/50/54/793765054.db2.gz IWKDPGSRLMAIFV-NSHDSACASA-N 1 0 344.441 -1.099 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)nn1 ZINC001207974724 793766180 /nfs/dbraw/zinc/76/61/80/793766180.db2.gz JZOFLWSKFWXSIY-LLVKDONJSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)nn1 ZINC001207974725 793765458 /nfs/dbraw/zinc/76/54/58/793765458.db2.gz JZOFLWSKFWXSIY-NSHDSACASA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)nn1 ZINC001207974966 793765631 /nfs/dbraw/zinc/76/56/31/793765631.db2.gz LPPFQXTUHDKZLW-JTQLQIEISA-N 1 0 330.414 -1.442 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nn1 ZINC001207974967 793765024 /nfs/dbraw/zinc/76/50/24/793765024.db2.gz LPPFQXTUHDKZLW-SNVBAGLBSA-N 1 0 330.414 -1.442 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC001207975577 793765236 /nfs/dbraw/zinc/76/52/36/793765236.db2.gz RJMJGLZWIOUBJE-JTQLQIEISA-N 1 0 337.384 -1.145 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC001207975578 793765992 /nfs/dbraw/zinc/76/59/92/793765992.db2.gz RJMJGLZWIOUBJE-SNVBAGLBSA-N 1 0 337.384 -1.145 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207975798 793765470 /nfs/dbraw/zinc/76/54/70/793765470.db2.gz WBJFJWRGFMTFFB-JTQLQIEISA-N 1 0 337.384 -1.145 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207975800 793765731 /nfs/dbraw/zinc/76/57/31/793765731.db2.gz WBJFJWRGFMTFFB-SNVBAGLBSA-N 1 0 337.384 -1.145 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001207978183 793765697 /nfs/dbraw/zinc/76/56/97/793765697.db2.gz DNCKGDFUDYNYQL-GHMZBOCLSA-N 1 0 348.425 -1.385 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001207978188 793766104 /nfs/dbraw/zinc/76/61/04/793766104.db2.gz DNCKGDFUDYNYQL-MNOVXSKESA-N 1 0 348.425 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ZINC001207980031 793765810 /nfs/dbraw/zinc/76/58/10/793765810.db2.gz SWURODLQINQCKZ-ZJUUUORDSA-N 1 0 334.398 -1.775 20 0 EAADRO CCn1ncc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C2)n1 ZINC001207980068 793766157 /nfs/dbraw/zinc/76/61/57/793766157.db2.gz UDORHEGCYFNZJM-JTQLQIEISA-N 1 0 337.384 -1.052 20 0 EAADRO CCn1ncc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)n1 ZINC001207980069 793766036 /nfs/dbraw/zinc/76/60/36/793766036.db2.gz UDORHEGCYFNZJM-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO Cn1cnc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)n1 ZINC001207980220 793765836 /nfs/dbraw/zinc/76/58/36/793765836.db2.gz WNKJKLOYTOFCPD-LLVKDONJSA-N 1 0 349.395 -1.003 20 0 EAADRO Cn1cnc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)n1 ZINC001207980221 793765681 /nfs/dbraw/zinc/76/56/81/793765681.db2.gz WNKJKLOYTOFCPD-NSHDSACASA-N 1 0 349.395 -1.003 20 0 EAADRO CN(CC[NH2+][C@@H]1CCCN(C(=O)c2ncn(C)n2)C1)S(C)(=O)=O ZINC001207980396 793765798 /nfs/dbraw/zinc/76/57/98/793765798.db2.gz 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CCn1nncc1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001207986727 793765005 /nfs/dbraw/zinc/76/50/05/793765005.db2.gz SURDNBQNLYXMGW-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NCCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001207989031 793765830 /nfs/dbraw/zinc/76/58/30/793765830.db2.gz CXGWPRZWVQRXPF-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NCCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001207989032 793765547 /nfs/dbraw/zinc/76/55/47/793765547.db2.gz CXGWPRZWVQRXPF-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NCCC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001207989033 793765034 /nfs/dbraw/zinc/76/50/34/793765034.db2.gz CXGWPRZWVQRXPF-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NCCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001207989034 793764934 /nfs/dbraw/zinc/76/49/34/793764934.db2.gz CXGWPRZWVQRXPF-WDEREUQCSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NCCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001207989037 793765707 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348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001208038507 793767470 /nfs/dbraw/zinc/76/74/70/793767470.db2.gz KQLVKBLFZJVYAJ-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208038719 793767755 /nfs/dbraw/zinc/76/77/55/793767755.db2.gz NCRDIAJVHHEORE-SECBINFHSA-N 1 0 349.413 -2.299 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208038720 793767214 /nfs/dbraw/zinc/76/72/14/793767214.db2.gz NCRDIAJVHHEORE-VIFPVBQESA-N 1 0 349.413 -2.299 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208038772 793767292 /nfs/dbraw/zinc/76/72/92/793767292.db2.gz OCCYTCQGQMIFMI-GFCCVEGCSA-N 1 0 337.442 -1.485 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001208038773 793767532 /nfs/dbraw/zinc/76/75/32/793767532.db2.gz OCCYTCQGQMIFMI-LBPRGKRZSA-N 1 0 337.442 -1.485 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCS(=O)(=O)NC)C1)C(N)=O ZINC001208038796 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20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001208038860 793767454 /nfs/dbraw/zinc/76/74/54/793767454.db2.gz QWPIANUELXRPDR-JTQLQIEISA-N 1 0 335.430 -2.210 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001208038861 793766660 /nfs/dbraw/zinc/76/66/60/793766660.db2.gz QWPIANUELXRPDR-SNVBAGLBSA-N 1 0 335.430 -2.210 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001208038892 793767682 /nfs/dbraw/zinc/76/76/82/793767682.db2.gz RIRCUTCSKQZLCI-LLVKDONJSA-N 1 0 349.457 -1.949 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001208038893 793767352 /nfs/dbraw/zinc/76/73/52/793767352.db2.gz RIRCUTCSKQZLCI-NSHDSACASA-N 1 0 349.457 -1.949 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001208038894 793766744 /nfs/dbraw/zinc/76/67/44/793766744.db2.gz RJFBWLAGQZCSHH-NEPJUHHUSA-N 1 0 337.442 -1.486 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208038895 793767542 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CNS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001208039045 793766770 /nfs/dbraw/zinc/76/67/70/793766770.db2.gz VXPLMCXPNARTAO-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001208039046 793766956 /nfs/dbraw/zinc/76/69/56/793766956.db2.gz VXPLMCXPNARTAO-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001208039047 793767202 /nfs/dbraw/zinc/76/72/02/793767202.db2.gz VXPLMCXPNARTAO-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H](CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)NC(N)=O ZINC001208041285 793767144 /nfs/dbraw/zinc/76/71/44/793767144.db2.gz GJCKOWQGYIJERX-BDAKNGLRSA-N 1 0 328.373 -1.791 20 0 EAADRO C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)NC(N)=O ZINC001208041286 793767486 /nfs/dbraw/zinc/76/74/86/793767486.db2.gz GJCKOWQGYIJERX-DTWKUNHWSA-N 1 0 328.373 -1.791 20 0 EAADRO C[C@@H](CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)NC(N)=O ZINC001208041287 793766506 /nfs/dbraw/zinc/76/65/06/793766506.db2.gz GJCKOWQGYIJERX-IUCAKERBSA-N 1 0 328.373 -1.791 20 0 EAADRO C[C@H](CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)NC(N)=O ZINC001208041288 793767168 /nfs/dbraw/zinc/76/71/68/793767168.db2.gz GJCKOWQGYIJERX-RKDXNWHRSA-N 1 0 328.373 -1.791 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001208041317 793767424 /nfs/dbraw/zinc/76/74/24/793767424.db2.gz GZGXLPPIEVWJJC-NXEZZACHSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001208041318 793767242 /nfs/dbraw/zinc/76/72/42/793767242.db2.gz GZGXLPPIEVWJJC-UWVGGRQHSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001208041319 793768208 /nfs/dbraw/zinc/76/82/08/793768208.db2.gz GZGXLPPIEVWJJC-VHSXEESVSA-N 1 0 342.400 -1.531 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001208041320 793769511 /nfs/dbraw/zinc/76/95/11/793769511.db2.gz GZGXLPPIEVWJJC-ZJUUUORDSA-N 1 0 342.400 -1.531 20 0 EAADRO C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)NC(N)=O ZINC001208042651 793769297 /nfs/dbraw/zinc/76/92/97/793769297.db2.gz WOHLKKWACNSGLC-NXEZZACHSA-N 1 0 339.400 -1.364 20 0 EAADRO C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)NC(N)=O ZINC001208042652 793768967 /nfs/dbraw/zinc/76/89/67/793768967.db2.gz WOHLKKWACNSGLC-UWVGGRQHSA-N 1 0 339.400 -1.364 20 0 EAADRO C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)NC(N)=O ZINC001208042653 793769125 /nfs/dbraw/zinc/76/91/25/793769125.db2.gz WOHLKKWACNSGLC-VHSXEESVSA-N 1 0 339.400 -1.364 20 0 EAADRO C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)NC(N)=O ZINC001208042654 793769378 /nfs/dbraw/zinc/76/93/78/793769378.db2.gz WOHLKKWACNSGLC-ZJUUUORDSA-N 1 0 339.400 -1.364 20 0 EAADRO CN(C)c1cnc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)cn1 ZINC001208045483 793768937 /nfs/dbraw/zinc/76/89/37/793768937.db2.gz RPHNNWOQQFCDQR-JTQLQIEISA-N 1 0 349.395 -1.068 20 0 EAADRO CN(C)c1cnc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cn1 ZINC001208045484 793768743 /nfs/dbraw/zinc/76/87/43/793768743.db2.gz RPHNNWOQQFCDQR-SNVBAGLBSA-N 1 0 349.395 -1.068 20 0 EAADRO O=C(C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1)Nc1ccon1 ZINC001208052752 793769252 /nfs/dbraw/zinc/76/92/52/793769252.db2.gz FBVBRTQBEZRCNH-JTQLQIEISA-N 1 0 334.340 -1.120 20 0 EAADRO O=C(C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)Nc1ccon1 ZINC001208052753 793768086 /nfs/dbraw/zinc/76/80/86/793768086.db2.gz FBVBRTQBEZRCNH-SNVBAGLBSA-N 1 0 334.340 -1.120 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1)CS(C)(=O)=O ZINC001208052830 793769099 /nfs/dbraw/zinc/76/90/99/793769099.db2.gz GWPAZGNOPCIKFZ-NEPJUHHUSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)CS(C)(=O)=O ZINC001208052831 793768103 /nfs/dbraw/zinc/76/81/03/793768103.db2.gz GWPAZGNOPCIKFZ-NWDGAFQWSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1)CS(C)(=O)=O ZINC001208052832 793768323 /nfs/dbraw/zinc/76/83/23/793768323.db2.gz GWPAZGNOPCIKFZ-RYUDHWBXSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)CS(C)(=O)=O ZINC001208052833 793769574 /nfs/dbraw/zinc/76/95/74/793769574.db2.gz GWPAZGNOPCIKFZ-VXGBXAGGSA-N 1 0 344.441 -1.066 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052916 793769440 /nfs/dbraw/zinc/76/94/40/793769440.db2.gz IQYUADJKUARATG-JTQLQIEISA-N 1 0 331.402 -2.197 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052917 793769084 /nfs/dbraw/zinc/76/90/84/793769084.db2.gz IQYUADJKUARATG-SNVBAGLBSA-N 1 0 331.402 -2.197 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052934 793768474 /nfs/dbraw/zinc/76/84/74/793768474.db2.gz IWILODRKRLTZCC-LLVKDONJSA-N 1 0 345.429 -1.807 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052935 793768367 /nfs/dbraw/zinc/76/83/67/793768367.db2.gz IWILODRKRLTZCC-NSHDSACASA-N 1 0 345.429 -1.807 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052996 793768878 /nfs/dbraw/zinc/76/88/78/793768878.db2.gz KGEVHSBQRSSRKT-GFCCVEGCSA-N 1 0 338.416 -1.039 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052997 793768222 /nfs/dbraw/zinc/76/82/22/793768222.db2.gz KGEVHSBQRSSRKT-LBPRGKRZSA-N 1 0 338.416 -1.039 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053010 793768586 /nfs/dbraw/zinc/76/85/86/793768586.db2.gz KODYCKBVOYLBGL-NXEZZACHSA-N 1 0 338.372 -1.902 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053011 793769483 /nfs/dbraw/zinc/76/94/83/793769483.db2.gz KODYCKBVOYLBGL-UWVGGRQHSA-N 1 0 338.372 -1.902 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053012 793768054 /nfs/dbraw/zinc/76/80/54/793768054.db2.gz KODYCKBVOYLBGL-VHSXEESVSA-N 1 0 338.372 -1.902 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053013 793769424 /nfs/dbraw/zinc/76/94/24/793769424.db2.gz KODYCKBVOYLBGL-ZJUUUORDSA-N 1 0 338.372 -1.902 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053160 793768947 /nfs/dbraw/zinc/76/89/47/793768947.db2.gz OVVDFEQEYFMPEN-CHWSQXEVSA-N 1 0 342.400 -1.722 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053161 793768961 /nfs/dbraw/zinc/76/89/61/793768961.db2.gz OVVDFEQEYFMPEN-OLZOCXBDSA-N 1 0 342.400 -1.722 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053162 793769091 /nfs/dbraw/zinc/76/90/91/793769091.db2.gz OVVDFEQEYFMPEN-QWHCGFSZSA-N 1 0 342.400 -1.722 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053163 793769290 /nfs/dbraw/zinc/76/92/90/793769290.db2.gz OVVDFEQEYFMPEN-STQMWFEESA-N 1 0 342.400 -1.722 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053488 793768541 /nfs/dbraw/zinc/76/85/41/793768541.db2.gz XARSQMZZLDMXKA-CYBMUJFWSA-N 1 0 339.400 -1.594 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053489 793769270 /nfs/dbraw/zinc/76/92/70/793769270.db2.gz XARSQMZZLDMXKA-ZDUSSCGKSA-N 1 0 339.400 -1.594 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001208053518 793769447 /nfs/dbraw/zinc/76/94/47/793769447.db2.gz YEFWSCBXHIQEAN-CHWSQXEVSA-N 1 0 334.384 -1.489 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001208053519 793769315 /nfs/dbraw/zinc/76/93/15/793769315.db2.gz YEFWSCBXHIQEAN-OLZOCXBDSA-N 1 0 334.384 -1.489 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001208053520 793768831 /nfs/dbraw/zinc/76/88/31/793768831.db2.gz YEFWSCBXHIQEAN-QWHCGFSZSA-N 1 0 334.384 -1.489 20 0 EAADRO O=C(Cn1ncnn1)N1CCC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001208053521 793768732 /nfs/dbraw/zinc/76/87/32/793768732.db2.gz YEFWSCBXHIQEAN-STQMWFEESA-N 1 0 334.384 -1.489 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053608 793769139 /nfs/dbraw/zinc/76/91/39/793769139.db2.gz ZXZFKAKDAHWUSJ-LLVKDONJSA-N 1 0 330.414 -1.312 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053609 793768803 /nfs/dbraw/zinc/76/88/03/793768803.db2.gz ZXZFKAKDAHWUSJ-NSHDSACASA-N 1 0 330.414 -1.312 20 0 EAADRO COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208054637 793768982 /nfs/dbraw/zinc/76/89/82/793768982.db2.gz LVJRGMSMVIZSSM-UTUOFQBUSA-N 1 0 347.437 -1.627 20 0 EAADRO O=C(C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)Nc1cnccn1 ZINC001208055625 793769033 /nfs/dbraw/zinc/76/90/33/793769033.db2.gz BAYZQVMTTRAEAQ-LLVKDONJSA-N 1 0 345.367 -1.318 20 0 EAADRO O=C(C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1)Nc1cnccn1 ZINC001208055626 793769524 /nfs/dbraw/zinc/76/95/24/793769524.db2.gz BAYZQVMTTRAEAQ-NSHDSACASA-N 1 0 345.367 -1.318 20 0 EAADRO COc1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)ncn1 ZINC001208055691 793768353 /nfs/dbraw/zinc/76/83/53/793768353.db2.gz CMCZPLVMGXTRTF-SECBINFHSA-N 1 0 336.352 -1.126 20 0 EAADRO COc1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)ncn1 ZINC001208055692 793768570 /nfs/dbraw/zinc/76/85/70/793768570.db2.gz CMCZPLVMGXTRTF-VIFPVBQESA-N 1 0 336.352 -1.126 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208055743 793768661 /nfs/dbraw/zinc/76/86/61/793768661.db2.gz DXLWXTMOXGRAGB-GFCCVEGCSA-N 1 0 339.400 -1.594 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208055744 793769562 /nfs/dbraw/zinc/76/95/62/793769562.db2.gz DXLWXTMOXGRAGB-LBPRGKRZSA-N 1 0 339.400 -1.594 20 0 EAADRO CN(CC[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)S(C)(=O)=O ZINC001208056195 793769110 /nfs/dbraw/zinc/76/91/10/793769110.db2.gz LKNJGLWCHGNKGT-LLVKDONJSA-N 1 0 345.429 -1.855 20 0 EAADRO CN(CC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1)S(C)(=O)=O ZINC001208056196 793768314 /nfs/dbraw/zinc/76/83/14/793768314.db2.gz LKNJGLWCHGNKGT-NSHDSACASA-N 1 0 345.429 -1.855 20 0 EAADRO O=C(C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)NCC(F)(F)F ZINC001208056215 793768677 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793786491 /nfs/dbraw/zinc/78/64/91/793786491.db2.gz PBYTUSICKBJMHF-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001208387201 793786384 /nfs/dbraw/zinc/78/63/84/793786384.db2.gz PBYTUSICKBJMHF-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001208387202 793787820 /nfs/dbraw/zinc/78/78/20/793787820.db2.gz PBYTUSICKBJMHF-QWRGUYRKSA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001208387203 793787564 /nfs/dbraw/zinc/78/75/64/793787564.db2.gz PBYTUSICKBJMHF-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001208392742 793787069 /nfs/dbraw/zinc/78/70/69/793787069.db2.gz DOHCSQRWTCXPNL-SECBINFHSA-N 1 0 336.352 -1.168 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001208392744 793787384 /nfs/dbraw/zinc/78/73/84/793787384.db2.gz DOHCSQRWTCXPNL-VIFPVBQESA-N 1 0 336.352 -1.168 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1)C(=O)NC(N)=O ZINC001208393938 793787660 /nfs/dbraw/zinc/78/76/60/793787660.db2.gz NSEFRUDNVWDMSH-BDAKNGLRSA-N 1 0 336.352 -1.040 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1)C(=O)NC(N)=O ZINC001208393939 793787397 /nfs/dbraw/zinc/78/73/97/793787397.db2.gz NSEFRUDNVWDMSH-DTWKUNHWSA-N 1 0 336.352 -1.040 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1)C(=O)NC(N)=O ZINC001208393940 793787743 /nfs/dbraw/zinc/78/77/43/793787743.db2.gz NSEFRUDNVWDMSH-IUCAKERBSA-N 1 0 336.352 -1.040 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1)C(=O)NC(N)=O ZINC001208393941 793786555 /nfs/dbraw/zinc/78/65/55/793786555.db2.gz NSEFRUDNVWDMSH-RKDXNWHRSA-N 1 0 336.352 -1.040 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001208394270 793787871 /nfs/dbraw/zinc/78/78/71/793787871.db2.gz UAWAIQYPTWEPEK-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001208394275 793787617 /nfs/dbraw/zinc/78/76/17/793787617.db2.gz UAWAIQYPTWEPEK-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001208394545 793787302 /nfs/dbraw/zinc/78/73/02/793787302.db2.gz YOZIWWMMNZNIBR-JTQLQIEISA-N 1 0 343.409 -1.074 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001208394546 793787804 /nfs/dbraw/zinc/78/78/04/793787804.db2.gz YOZIWWMMNZNIBR-SNVBAGLBSA-N 1 0 343.409 -1.074 20 0 EAADRO C[C@]1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC(=O)C1 ZINC001208410676 793786580 /nfs/dbraw/zinc/78/65/80/793786580.db2.gz CAAKLXHYLYUUPX-BMIGLBTASA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC(=O)C1 ZINC001208410677 793786296 /nfs/dbraw/zinc/78/62/96/793786296.db2.gz CAAKLXHYLYUUPX-BONVTDFDSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC(=O)C1 ZINC001208410678 793787861 /nfs/dbraw/zinc/78/78/61/793787861.db2.gz CAAKLXHYLYUUPX-MEBBXXQBSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC(=O)C1 ZINC001208410679 793786473 /nfs/dbraw/zinc/78/64/73/793786473.db2.gz CAAKLXHYLYUUPX-ZUZCIYMTSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001208411370 793787103 /nfs/dbraw/zinc/78/71/03/793787103.db2.gz SHODTAVXMGHRKY-GRYCIOLGSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001208411371 793787345 /nfs/dbraw/zinc/78/73/45/793787345.db2.gz SHODTAVXMGHRKY-IJLUTSLNSA-N 1 0 341.412 -1.519 20 0 EAADRO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425605 793787007 /nfs/dbraw/zinc/78/70/07/793787007.db2.gz PILHHNYPXHGYFF-GHMZBOCLSA-N 1 0 325.413 -1.040 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001208426271 793786483 /nfs/dbraw/zinc/78/64/83/793786483.db2.gz GOBZGGFQJMFXIB-NXEZZACHSA-N 1 0 348.425 -1.544 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001208426275 793786434 /nfs/dbraw/zinc/78/64/34/793786434.db2.gz GOBZGGFQJMFXIB-UWVGGRQHSA-N 1 0 348.425 -1.544 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001208426277 793786807 /nfs/dbraw/zinc/78/68/07/793786807.db2.gz GOBZGGFQJMFXIB-VHSXEESVSA-N 1 0 348.425 -1.544 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001208426278 793787242 /nfs/dbraw/zinc/78/72/42/793787242.db2.gz GOBZGGFQJMFXIB-ZJUUUORDSA-N 1 0 348.425 -1.544 20 0 EAADRO C[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001208426867 793788521 /nfs/dbraw/zinc/78/85/21/793788521.db2.gz NXQNNYLEUSKOKP-BDAKNGLRSA-N 1 0 334.398 -1.805 20 0 EAADRO C[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001208426870 793789313 /nfs/dbraw/zinc/78/93/13/793789313.db2.gz NXQNNYLEUSKOKP-DTWKUNHWSA-N 1 0 334.398 -1.805 20 0 EAADRO C[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001208426871 793789264 /nfs/dbraw/zinc/78/92/64/793789264.db2.gz NXQNNYLEUSKOKP-IUCAKERBSA-N 1 0 334.398 -1.805 20 0 EAADRO C[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001208426874 793789235 /nfs/dbraw/zinc/78/92/35/793789235.db2.gz NXQNNYLEUSKOKP-RKDXNWHRSA-N 1 0 334.398 -1.805 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001208429937 793788391 /nfs/dbraw/zinc/78/83/91/793788391.db2.gz BZIOISAWQSYXMH-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001208429938 793788974 /nfs/dbraw/zinc/78/89/74/793788974.db2.gz BZIOISAWQSYXMH-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001208429939 793788341 /nfs/dbraw/zinc/78/83/41/793788341.db2.gz BZIOISAWQSYXMH-QWRGUYRKSA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001208429940 793789513 /nfs/dbraw/zinc/78/95/13/793789513.db2.gz BZIOISAWQSYXMH-WDEREUQCSA-N 1 0 339.396 -1.370 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001208432447 793789038 /nfs/dbraw/zinc/78/90/38/793789038.db2.gz BOZBVRXARJBWMW-GHMZBOCLSA-N 1 0 345.421 -1.193 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001208432448 793788813 /nfs/dbraw/zinc/78/88/13/793788813.db2.gz BOZBVRXARJBWMW-MNOVXSKESA-N 1 0 345.421 -1.193 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001208432449 793788671 /nfs/dbraw/zinc/78/86/71/793788671.db2.gz BOZBVRXARJBWMW-QWRGUYRKSA-N 1 0 345.421 -1.193 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001208432450 793789008 /nfs/dbraw/zinc/78/90/08/793789008.db2.gz BOZBVRXARJBWMW-WDEREUQCSA-N 1 0 345.421 -1.193 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208432605 793788619 /nfs/dbraw/zinc/78/86/19/793788619.db2.gz HCRHOQJOMVNEJM-SECBINFHSA-N 1 0 334.398 -1.803 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208432606 793788321 /nfs/dbraw/zinc/78/83/21/793788321.db2.gz HCRHOQJOMVNEJM-VIFPVBQESA-N 1 0 334.398 -1.803 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001208433139 793788763 /nfs/dbraw/zinc/78/87/63/793788763.db2.gz STFCSHKPTNZZAX-JTQLQIEISA-N 1 0 348.425 -1.543 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001208433140 793788654 /nfs/dbraw/zinc/78/86/54/793788654.db2.gz STFCSHKPTNZZAX-SNVBAGLBSA-N 1 0 348.425 -1.543 20 0 EAADRO Cn1ccc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cc1=O ZINC001208433407 793788921 /nfs/dbraw/zinc/78/89/21/793788921.db2.gz ZMYURZZCIIOZST-LLVKDONJSA-N 1 0 335.364 -1.226 20 0 EAADRO Cn1ccc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)cc1=O ZINC001208433408 793788539 /nfs/dbraw/zinc/78/85/39/793788539.db2.gz ZMYURZZCIIOZST-NSHDSACASA-N 1 0 335.364 -1.226 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1)C(N)=O ZINC001208435375 793788895 /nfs/dbraw/zinc/78/88/95/793788895.db2.gz CZTLBCPPUMPOTA-NEPJUHHUSA-N 1 0 349.453 -1.108 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1)C(N)=O ZINC001208435376 793789583 /nfs/dbraw/zinc/78/95/83/793789583.db2.gz CZTLBCPPUMPOTA-NWDGAFQWSA-N 1 0 349.453 -1.108 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1)C(N)=O ZINC001208435377 793788483 /nfs/dbraw/zinc/78/84/83/793788483.db2.gz CZTLBCPPUMPOTA-RYUDHWBXSA-N 1 0 349.453 -1.108 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1)C(N)=O ZINC001208435378 793789282 /nfs/dbraw/zinc/78/92/82/793789282.db2.gz CZTLBCPPUMPOTA-VXGBXAGGSA-N 1 0 349.453 -1.108 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001208435563 793788576 /nfs/dbraw/zinc/78/85/76/793788576.db2.gz IGGSSEHZZVHBJE-GHMZBOCLSA-N 1 0 335.426 -1.498 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001208435564 793789303 /nfs/dbraw/zinc/78/93/03/793789303.db2.gz IGGSSEHZZVHBJE-MNOVXSKESA-N 1 0 335.426 -1.498 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001208435565 793789070 /nfs/dbraw/zinc/78/90/70/793789070.db2.gz IGGSSEHZZVHBJE-QWRGUYRKSA-N 1 0 335.426 -1.498 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001208435566 793789464 /nfs/dbraw/zinc/78/94/64/793789464.db2.gz IGGSSEHZZVHBJE-WDEREUQCSA-N 1 0 335.426 -1.498 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001208435701 793788591 /nfs/dbraw/zinc/78/85/91/793788591.db2.gz LFAROSOCPSFRGY-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001208435702 793788962 /nfs/dbraw/zinc/78/89/62/793788962.db2.gz LFAROSOCPSFRGY-NWDGAFQWSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001208435703 793788462 /nfs/dbraw/zinc/78/84/62/793788462.db2.gz LFAROSOCPSFRGY-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001208435704 793788258 /nfs/dbraw/zinc/78/82/58/793788258.db2.gz LFAROSOCPSFRGY-VXGBXAGGSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208435819 793788883 /nfs/dbraw/zinc/78/88/83/793788883.db2.gz NYLBWKQJZAYMMN-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208435820 793789525 /nfs/dbraw/zinc/78/95/25/793789525.db2.gz NYLBWKQJZAYMMN-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208435907 793788690 /nfs/dbraw/zinc/78/86/90/793788690.db2.gz QXGAGJJVKYLWIS-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208435908 793789165 /nfs/dbraw/zinc/78/91/65/793789165.db2.gz QXGAGJJVKYLWIS-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208435909 793789150 /nfs/dbraw/zinc/78/91/50/793789150.db2.gz QXGAGJJVKYLWIS-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208435910 793789539 /nfs/dbraw/zinc/78/95/39/793789539.db2.gz QXGAGJJVKYLWIS-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208436087 785081660 /nfs/dbraw/zinc/08/16/60/785081660.db2.gz VYTDKWUDEJYDSE-GFCCVEGCSA-N 1 0 349.453 -1.236 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208436088 785080673 /nfs/dbraw/zinc/08/06/73/785080673.db2.gz VYTDKWUDEJYDSE-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001208436129 785081054 /nfs/dbraw/zinc/08/10/54/785081054.db2.gz XMTHEJIYCIUCFZ-NXEZZACHSA-N 1 0 348.425 -1.415 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001208436130 785080659 /nfs/dbraw/zinc/08/06/59/785080659.db2.gz XMTHEJIYCIUCFZ-UWVGGRQHSA-N 1 0 348.425 -1.415 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001208436131 785080611 /nfs/dbraw/zinc/08/06/11/785080611.db2.gz XMTHEJIYCIUCFZ-VHSXEESVSA-N 1 0 348.425 -1.415 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1)C(=O)NC(N)=O ZINC001208436132 785081598 /nfs/dbraw/zinc/08/15/98/785081598.db2.gz XMTHEJIYCIUCFZ-ZJUUUORDSA-N 1 0 348.425 -1.415 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208436191 785081128 /nfs/dbraw/zinc/08/11/28/785081128.db2.gz YVPXZIODIOXCIS-LLVKDONJSA-N 1 0 335.426 -1.626 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001208436192 785081619 /nfs/dbraw/zinc/08/16/19/785081619.db2.gz YVPXZIODIOXCIS-NSHDSACASA-N 1 0 335.426 -1.626 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438595 793789044 /nfs/dbraw/zinc/78/90/44/793789044.db2.gz BUBIWEZIOMQVAC-LLVKDONJSA-N 1 0 327.385 -2.435 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438596 793788504 /nfs/dbraw/zinc/78/85/04/793788504.db2.gz BUBIWEZIOMQVAC-NSHDSACASA-N 1 0 327.385 -2.435 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001208438605 793788906 /nfs/dbraw/zinc/78/89/06/793788906.db2.gz BXBLLFZBIPFVTP-NEPJUHHUSA-N 1 0 339.396 -2.292 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001208438606 793788446 /nfs/dbraw/zinc/78/84/46/793788446.db2.gz BXBLLFZBIPFVTP-NWDGAFQWSA-N 1 0 339.396 -2.292 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001208438607 793788753 /nfs/dbraw/zinc/78/87/53/793788753.db2.gz BXBLLFZBIPFVTP-RYUDHWBXSA-N 1 0 339.396 -2.292 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001208438608 793788356 /nfs/dbraw/zinc/78/83/56/793788356.db2.gz BXBLLFZBIPFVTP-VXGBXAGGSA-N 1 0 339.396 -2.292 20 0 EAADRO CCOCC[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438717 793788745 /nfs/dbraw/zinc/78/87/45/793788745.db2.gz FBOMBYPQGRLNGY-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CCOCC[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438718 793788217 /nfs/dbraw/zinc/78/82/17/793788217.db2.gz FBOMBYPQGRLNGY-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438763 793789110 /nfs/dbraw/zinc/78/91/10/793789110.db2.gz FXPOQDKLOSRTPW-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438764 793789300 /nfs/dbraw/zinc/78/93/00/793789300.db2.gz FXPOQDKLOSRTPW-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438765 793788411 /nfs/dbraw/zinc/78/84/11/793788411.db2.gz FXPOQDKLOSRTPW-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438766 793788106 /nfs/dbraw/zinc/78/81/06/793788106.db2.gz FXPOQDKLOSRTPW-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001208438801 793788208 /nfs/dbraw/zinc/78/82/08/793788208.db2.gz GYXZPCLJKRHGFP-GXTWGEPZSA-N 1 0 342.440 -1.020 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001208438802 793788995 /nfs/dbraw/zinc/78/89/95/793788995.db2.gz GYXZPCLJKRHGFP-JSGCOSHPSA-N 1 0 342.440 -1.020 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001208438803 793789391 /nfs/dbraw/zinc/78/93/91/793789391.db2.gz GYXZPCLJKRHGFP-OCCSQVGLSA-N 1 0 342.440 -1.020 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001208438804 793788149 /nfs/dbraw/zinc/78/81/49/793788149.db2.gz GYXZPCLJKRHGFP-TZMCWYRMSA-N 1 0 342.440 -1.020 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438809 793789428 /nfs/dbraw/zinc/78/94/28/793789428.db2.gz HHYBDXRFJKYTGE-CHWSQXEVSA-N 1 0 344.412 -2.173 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438810 793788990 /nfs/dbraw/zinc/78/89/90/793788990.db2.gz HHYBDXRFJKYTGE-OLZOCXBDSA-N 1 0 344.412 -2.173 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438811 793788200 /nfs/dbraw/zinc/78/82/00/793788200.db2.gz HHYBDXRFJKYTGE-QWHCGFSZSA-N 1 0 344.412 -2.173 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438812 793788611 /nfs/dbraw/zinc/78/86/11/793788611.db2.gz HHYBDXRFJKYTGE-STQMWFEESA-N 1 0 344.412 -2.173 20 0 EAADRO CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438927 793789474 /nfs/dbraw/zinc/78/94/74/793789474.db2.gz JXLPGBXPUMFYSG-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438928 793788723 /nfs/dbraw/zinc/78/87/23/793788723.db2.gz JXLPGBXPUMFYSG-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438929 793789252 /nfs/dbraw/zinc/78/92/52/793789252.db2.gz JXLPGBXPUMFYSG-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208438930 793788381 /nfs/dbraw/zinc/78/83/81/793788381.db2.gz JXLPGBXPUMFYSG-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208438935 793788801 /nfs/dbraw/zinc/78/88/01/793788801.db2.gz KBEJOILOKLVTJR-GFCCVEGCSA-N 1 0 341.412 -2.093 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208438936 793789024 /nfs/dbraw/zinc/78/90/24/793789024.db2.gz KBEJOILOKLVTJR-LBPRGKRZSA-N 1 0 341.412 -2.093 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001208438941 793788780 /nfs/dbraw/zinc/78/87/80/793788780.db2.gz KFBWUAFYJITVLE-KBPBESRZSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001208438942 793789002 /nfs/dbraw/zinc/78/90/02/793789002.db2.gz KFBWUAFYJITVLE-KGLIPLIRSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001208438943 793789595 /nfs/dbraw/zinc/78/95/95/793789595.db2.gz KFBWUAFYJITVLE-UONOGXRCSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001208438944 793788855 /nfs/dbraw/zinc/78/88/55/793788855.db2.gz KFBWUAFYJITVLE-ZIAGYGMSSA-N 1 0 340.424 -1.144 20 0 EAADRO COCCC[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208439067 793788791 /nfs/dbraw/zinc/78/87/91/793788791.db2.gz NPIHQCGXNSILQB-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO COCCC[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208439068 793789572 /nfs/dbraw/zinc/78/95/72/793789572.db2.gz NPIHQCGXNSILQB-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208439223 793788279 /nfs/dbraw/zinc/78/82/79/793788279.db2.gz OJENHQIDSMOHFX-CMPLNLGQSA-N 1 0 341.412 -2.046 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208439224 793788559 /nfs/dbraw/zinc/78/85/59/793788559.db2.gz OJENHQIDSMOHFX-JQWIXIFHSA-N 1 0 341.412 -2.046 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208439225 793789199 /nfs/dbraw/zinc/78/91/99/793789199.db2.gz OJENHQIDSMOHFX-PWSUYJOCSA-N 1 0 341.412 -2.046 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208439226 793789450 /nfs/dbraw/zinc/78/94/50/793789450.db2.gz OJENHQIDSMOHFX-ZYHUDNBSSA-N 1 0 341.412 -2.046 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001208439488 793789116 /nfs/dbraw/zinc/78/91/16/793789116.db2.gz RPKPFCDWEXNGNV-GXSJLCMTSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001208439493 793789377 /nfs/dbraw/zinc/78/93/77/793789377.db2.gz RPKPFCDWEXNGNV-KOLCDFICSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001208439495 793789085 /nfs/dbraw/zinc/78/90/85/793789085.db2.gz RPKPFCDWEXNGNV-MWLCHTKSSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001208439497 793788871 /nfs/dbraw/zinc/78/88/71/793788871.db2.gz RPKPFCDWEXNGNV-ONGXEEELSA-N 1 0 327.385 -2.307 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1)C(N)=O ZINC001208439769 793789439 /nfs/dbraw/zinc/78/94/39/793789439.db2.gz UJNKLSRDQNXUEL-NEPJUHHUSA-N 1 0 341.412 -1.917 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1)C(N)=O ZINC001208439770 793788304 /nfs/dbraw/zinc/78/83/04/793788304.db2.gz UJNKLSRDQNXUEL-NWDGAFQWSA-N 1 0 341.412 -1.917 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1)C(N)=O ZINC001208439771 793790657 /nfs/dbraw/zinc/79/06/57/793790657.db2.gz UJNKLSRDQNXUEL-RYUDHWBXSA-N 1 0 341.412 -1.917 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1)C(N)=O ZINC001208439772 793790699 /nfs/dbraw/zinc/79/06/99/793790699.db2.gz UJNKLSRDQNXUEL-VXGBXAGGSA-N 1 0 341.412 -1.917 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208440011 793791339 /nfs/dbraw/zinc/79/13/39/793791339.db2.gz XKXRRGYOISFIBK-CYBMUJFWSA-N 1 0 344.412 -2.172 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001208440012 793790209 /nfs/dbraw/zinc/79/02/09/793790209.db2.gz XKXRRGYOISFIBK-ZDUSSCGKSA-N 1 0 344.412 -2.172 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208440070 793790555 /nfs/dbraw/zinc/79/05/55/793790555.db2.gz YHZVURJKVOEXKQ-GFCCVEGCSA-N 1 0 341.412 -2.045 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208440071 793791030 /nfs/dbraw/zinc/79/10/30/793791030.db2.gz YHZVURJKVOEXKQ-LBPRGKRZSA-N 1 0 341.412 -2.045 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001208440074 793791012 /nfs/dbraw/zinc/79/10/12/793791012.db2.gz YVKQRUWOCCNJIF-JTQLQIEISA-N 1 0 344.393 -1.133 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001208440082 793791266 /nfs/dbraw/zinc/79/12/66/793791266.db2.gz YVKQRUWOCCNJIF-SNVBAGLBSA-N 1 0 344.393 -1.133 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001208444127 793790942 /nfs/dbraw/zinc/79/09/42/793790942.db2.gz 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C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485680 793795268 /nfs/dbraw/zinc/79/52/68/793795268.db2.gz QIPDFCQKTPZQGZ-ZYHUDNBSSA-N 1 0 325.413 -1.040 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)ccc1=O ZINC001208486568 793794210 /nfs/dbraw/zinc/79/42/10/793794210.db2.gz ONKCLJLSKPVDAH-LLVKDONJSA-N 1 0 335.364 -1.226 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)ccc1=O ZINC001208486569 793794618 /nfs/dbraw/zinc/79/46/18/793794618.db2.gz ONKCLJLSKPVDAH-NSHDSACASA-N 1 0 335.364 -1.226 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001208489203 793794632 /nfs/dbraw/zinc/79/46/32/793794632.db2.gz FOHBFTQJGKTJTL-SECBINFHSA-N 1 0 344.393 -1.133 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001208489204 793795379 /nfs/dbraw/zinc/79/53/79/793795379.db2.gz FOHBFTQJGKTJTL-VIFPVBQESA-N 1 0 344.393 -1.133 20 0 EAADRO O=C(CN1CCCNC1=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208489453 793794458 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NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001208490281 793795229 /nfs/dbraw/zinc/79/52/29/793795229.db2.gz YTHSSGZVLHNWND-JTQLQIEISA-N 1 0 340.384 -1.823 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001208490283 793795434 /nfs/dbraw/zinc/79/54/34/793795434.db2.gz YTHSSGZVLHNWND-SNVBAGLBSA-N 1 0 340.384 -1.823 20 0 EAADRO C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492761 793795045 /nfs/dbraw/zinc/79/50/45/793795045.db2.gz OZRVZUSLALUWAC-CHWSQXEVSA-N 1 0 339.440 -1.667 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001208494984 793795134 /nfs/dbraw/zinc/79/51/34/793795134.db2.gz NRGVBUZGFBMGKV-GFCCVEGCSA-N 1 0 327.429 -1.491 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001208494985 793795145 /nfs/dbraw/zinc/79/51/45/793795145.db2.gz NRGVBUZGFBMGKV-LBPRGKRZSA-N 1 0 327.429 -1.491 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001208495218 793795365 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341.456 -1.103 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208506056 793797475 /nfs/dbraw/zinc/79/74/75/793797475.db2.gz BDDYFMKPOUKAGW-NEPJUHHUSA-N 1 0 340.380 -1.463 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208506057 793797027 /nfs/dbraw/zinc/79/70/27/793797027.db2.gz BDDYFMKPOUKAGW-NWDGAFQWSA-N 1 0 340.380 -1.463 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208506058 793796721 /nfs/dbraw/zinc/79/67/21/793796721.db2.gz BDDYFMKPOUKAGW-RYUDHWBXSA-N 1 0 340.380 -1.463 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208506059 793795899 /nfs/dbraw/zinc/79/58/99/793795899.db2.gz BDDYFMKPOUKAGW-VXGBXAGGSA-N 1 0 340.380 -1.463 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208507600 793796981 /nfs/dbraw/zinc/79/69/81/793796981.db2.gz QDLIBHUEEXZEET-LLVKDONJSA-N 1 0 337.380 -1.382 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208507601 793796701 /nfs/dbraw/zinc/79/67/01/793796701.db2.gz QDLIBHUEEXZEET-NSHDSACASA-N 1 0 337.380 -1.382 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208508066 793796070 /nfs/dbraw/zinc/79/60/70/793796070.db2.gz VETPPONLDWSVLW-GFCCVEGCSA-N 1 0 340.380 -1.462 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001208508067 793796246 /nfs/dbraw/zinc/79/62/46/793796246.db2.gz VETPPONLDWSVLW-LBPRGKRZSA-N 1 0 340.380 -1.462 20 0 EAADRO O=C(C[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1)NC1CC1 ZINC001208508082 793797444 /nfs/dbraw/zinc/79/74/44/793797444.db2.gz VKRFTZUILGGULK-GFCCVEGCSA-N 1 0 349.391 -1.192 20 0 EAADRO O=C(C[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1)NC1CC1 ZINC001208508083 793795865 /nfs/dbraw/zinc/79/58/65/793795865.db2.gz VKRFTZUILGGULK-LBPRGKRZSA-N 1 0 349.391 -1.192 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208508289 793796891 /nfs/dbraw/zinc/79/68/91/793796891.db2.gz YCKDTVVIHSOXSX-LLVKDONJSA-N 1 0 337.380 -1.334 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208508292 793797253 /nfs/dbraw/zinc/79/72/53/793797253.db2.gz YCKDTVVIHSOXSX-NSHDSACASA-N 1 0 337.380 -1.334 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208508414 793797130 /nfs/dbraw/zinc/79/71/30/793797130.db2.gz ZRVFGILEIPTNQP-GHMZBOCLSA-N 1 0 337.380 -1.336 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208508416 793797325 /nfs/dbraw/zinc/79/73/25/793797325.db2.gz ZRVFGILEIPTNQP-MNOVXSKESA-N 1 0 337.380 -1.336 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208508419 793796179 /nfs/dbraw/zinc/79/61/79/793796179.db2.gz ZRVFGILEIPTNQP-QWRGUYRKSA-N 1 0 337.380 -1.336 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001208508420 793796382 /nfs/dbraw/zinc/79/63/82/793796382.db2.gz ZRVFGILEIPTNQP-WDEREUQCSA-N 1 0 337.380 -1.336 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001208517990 793795969 /nfs/dbraw/zinc/79/59/69/793795969.db2.gz CBNGPJLMDKWFMS-NXEZZACHSA-N 1 0 346.409 -1.803 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001208517991 793797409 /nfs/dbraw/zinc/79/74/09/793797409.db2.gz CBNGPJLMDKWFMS-UWVGGRQHSA-N 1 0 346.409 -1.803 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001208517992 793796664 /nfs/dbraw/zinc/79/66/64/793796664.db2.gz CBNGPJLMDKWFMS-VHSXEESVSA-N 1 0 346.409 -1.803 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001208517993 793795998 /nfs/dbraw/zinc/79/59/98/793795998.db2.gz CBNGPJLMDKWFMS-ZJUUUORDSA-N 1 0 346.409 -1.803 20 0 EAADRO NC(=O)NCCCCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208518304 793797644 /nfs/dbraw/zinc/79/76/44/793797644.db2.gz ITDVABZVZHVHMD-JTQLQIEISA-N 1 0 342.400 -1.400 20 0 EAADRO NC(=O)NCCCCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208518305 793796390 /nfs/dbraw/zinc/79/63/90/793796390.db2.gz ITDVABZVZHVHMD-SNVBAGLBSA-N 1 0 342.400 -1.400 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001208528772 793796348 /nfs/dbraw/zinc/79/63/48/793796348.db2.gz NNJWUBGPGHTJOH-GHMZBOCLSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001208528774 793797115 /nfs/dbraw/zinc/79/71/15/793797115.db2.gz NNJWUBGPGHTJOH-MNOVXSKESA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001208528775 793797034 /nfs/dbraw/zinc/79/70/34/793797034.db2.gz NNJWUBGPGHTJOH-QWRGUYRKSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001208528777 793797066 /nfs/dbraw/zinc/79/70/66/793797066.db2.gz NNJWUBGPGHTJOH-WDEREUQCSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001208529050 793796289 /nfs/dbraw/zinc/79/62/89/793796289.db2.gz TWRWQUMDVWIAKN-MRVPVSSYSA-N 1 0 337.336 -1.232 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001208529051 793796446 /nfs/dbraw/zinc/79/64/46/793796446.db2.gz TWRWQUMDVWIAKN-QMMMGPOBSA-N 1 0 337.336 -1.232 20 0 EAADRO COc1cnc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nc1 ZINC001208532073 793797189 /nfs/dbraw/zinc/79/71/89/793797189.db2.gz RAKLLPWVTUMEIK-SECBINFHSA-N 1 0 336.352 -1.126 20 0 EAADRO COc1cnc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)nc1 ZINC001208532074 793797593 /nfs/dbraw/zinc/79/75/93/793797593.db2.gz RAKLLPWVTUMEIK-VIFPVBQESA-N 1 0 336.352 -1.126 20 0 EAADRO COc1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1C ZINC001208534965 793796947 /nfs/dbraw/zinc/79/69/47/793796947.db2.gz JDHMLFSIBDMTGG-SECBINFHSA-N 1 0 338.368 -1.182 20 0 EAADRO COc1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)nn1C ZINC001208534966 793797560 /nfs/dbraw/zinc/79/75/60/793797560.db2.gz JDHMLFSIBDMTGG-VIFPVBQESA-N 1 0 338.368 -1.182 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001208538661 793795807 /nfs/dbraw/zinc/79/58/07/793795807.db2.gz IQUUORJYDQCMDA-MRVPVSSYSA-N 1 0 346.351 -1.258 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001208538667 793796931 /nfs/dbraw/zinc/79/69/31/793796931.db2.gz IQUUORJYDQCMDA-QMMMGPOBSA-N 1 0 346.351 -1.258 20 0 EAADRO COc1nccc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001208539205 793796127 /nfs/dbraw/zinc/79/61/27/793796127.db2.gz QETWYQULMMKHKH-SECBINFHSA-N 1 0 336.352 -1.126 20 0 EAADRO COc1nccc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001208539206 793796021 /nfs/dbraw/zinc/79/60/21/793796021.db2.gz QETWYQULMMKHKH-VIFPVBQESA-N 1 0 336.352 -1.126 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)c1 ZINC001208539303 793796361 /nfs/dbraw/zinc/79/63/61/793796361.db2.gz SXKFGILGMZGPAM-JTQLQIEISA-N 1 0 335.364 -1.226 20 0 EAADRO Cn1ccc(=O)c(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1 ZINC001208539304 793797211 /nfs/dbraw/zinc/79/72/11/793797211.db2.gz SXKFGILGMZGPAM-SNVBAGLBSA-N 1 0 335.364 -1.226 20 0 EAADRO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001208544982 793796849 /nfs/dbraw/zinc/79/68/49/793796849.db2.gz ZZPGTQGGFKOCNO-IJLUTSLNSA-N 1 0 342.396 -1.364 20 0 EAADRO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001208544983 793796406 /nfs/dbraw/zinc/79/64/06/793796406.db2.gz ZZPGTQGGFKOCNO-UTUOFQBUSA-N 1 0 342.396 -1.364 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001208550950 793796790 /nfs/dbraw/zinc/79/67/90/793796790.db2.gz GGJHDIFSNRWXLY-JTQLQIEISA-N 1 0 346.351 -1.487 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001208550951 793797170 /nfs/dbraw/zinc/79/71/70/793797170.db2.gz GGJHDIFSNRWXLY-SNVBAGLBSA-N 1 0 346.351 -1.487 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001208567477 793798478 /nfs/dbraw/zinc/79/84/78/793798478.db2.gz YTTRNNQKADIBLM-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001208567480 793799778 /nfs/dbraw/zinc/79/97/78/793799778.db2.gz YTTRNNQKADIBLM-LBPRGKRZSA-N 1 0 346.453 -1.261 20 0 EAADRO C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001208580445 793798455 /nfs/dbraw/zinc/79/84/55/793798455.db2.gz RLVNBJYFSQSOCL-FVCCEPFGSA-N 1 0 329.397 -1.535 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208590458 793799153 /nfs/dbraw/zinc/79/91/53/793799153.db2.gz GKEIBUVXAXFEAS-IJLUTSLNSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208590459 793799603 /nfs/dbraw/zinc/79/96/03/793799603.db2.gz GKEIBUVXAXFEAS-QJPTWQEYSA-N 1 0 325.413 -1.040 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001208604536 793798271 /nfs/dbraw/zinc/79/82/71/793798271.db2.gz ILAFDSJUROQQQI-RUZUBIRVSA-N 1 0 340.424 -1.303 20 0 EAADRO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001208619063 793798098 /nfs/dbraw/zinc/79/80/98/793798098.db2.gz AHBDOLQRKXBOFP-LMLFDSFASA-N 1 0 339.396 -1.658 20 0 EAADRO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001208619737 793797914 /nfs/dbraw/zinc/79/79/14/793797914.db2.gz JVYSBMACKPBXLW-CHWFTXMASA-N 1 0 339.396 -1.481 20 0 EAADRO CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001208620007 793798945 /nfs/dbraw/zinc/79/89/45/793798945.db2.gz KYVNQLMDKZOTPC-WISYIIOYSA-N 1 0 346.453 -1.516 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)ncc1=O ZINC001208625567 793797980 /nfs/dbraw/zinc/79/79/80/793797980.db2.gz IHUPDSMCSYGXRZ-SECBINFHSA-N 1 0 336.352 -1.831 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)ncc1=O ZINC001208625569 793798649 /nfs/dbraw/zinc/79/86/49/793798649.db2.gz IHUPDSMCSYGXRZ-VIFPVBQESA-N 1 0 336.352 -1.831 20 0 EAADRO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001208657539 793799051 /nfs/dbraw/zinc/79/90/51/793799051.db2.gz KHXMBOIBXJBJTO-RAIGVLPGSA-N 1 0 348.407 -1.011 20 0 EAADRO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001208657541 793799102 /nfs/dbraw/zinc/79/91/02/793799102.db2.gz KHXMBOIBXJBJTO-RTXFEEFZSA-N 1 0 348.407 -1.011 20 0 EAADRO CCn1cc(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001208670712 793799409 /nfs/dbraw/zinc/79/94/09/793799409.db2.gz SZRFHVFOPWIBRT-JTQLQIEISA-N 1 0 337.384 -1.384 20 0 EAADRO CCn1cc(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001208670713 793799036 /nfs/dbraw/zinc/79/90/36/793799036.db2.gz SZRFHVFOPWIBRT-SNVBAGLBSA-N 1 0 337.384 -1.384 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208679498 793798225 /nfs/dbraw/zinc/79/82/25/793798225.db2.gz MDYMOQSSTDMLRY-MNOVXSKESA-N 1 0 333.410 -2.137 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208679508 793799254 /nfs/dbraw/zinc/79/92/54/793799254.db2.gz MDYMOQSSTDMLRY-QWRGUYRKSA-N 1 0 333.410 -2.137 20 0 EAADRO COCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208679858 793797907 /nfs/dbraw/zinc/79/79/07/793797907.db2.gz OJVZIKWXPWBOFS-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO COCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208679859 793797850 /nfs/dbraw/zinc/79/78/50/793797850.db2.gz OJVZIKWXPWBOFS-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001208680124 793798937 /nfs/dbraw/zinc/79/89/37/793798937.db2.gz QMRHLCUGTJWCMG-MNOVXSKESA-N 1 0 335.401 -1.160 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001208680134 793799135 /nfs/dbraw/zinc/79/91/35/793799135.db2.gz QMRHLCUGTJWCMG-QWRGUYRKSA-N 1 0 335.401 -1.160 20 0 EAADRO COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208680194 793798988 /nfs/dbraw/zinc/79/89/88/793798988.db2.gz RXNQWCMYQMIEHJ-MNOVXSKESA-N 1 0 333.410 -1.873 20 0 EAADRO COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208680195 793798890 /nfs/dbraw/zinc/79/88/90/793798890.db2.gz RXNQWCMYQMIEHJ-QWRGUYRKSA-N 1 0 333.410 -1.873 20 0 EAADRO CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208680200 793798514 /nfs/dbraw/zinc/79/85/14/793798514.db2.gz SEYDNCWMMOVRGJ-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208680201 793799553 /nfs/dbraw/zinc/79/95/53/793799553.db2.gz SEYDNCWMMOVRGJ-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208680444 793801214 /nfs/dbraw/zinc/80/12/14/793801214.db2.gz VGXOCOIITOCUKG-UWVGGRQHSA-N 1 0 346.409 -2.774 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001208680447 793801409 /nfs/dbraw/zinc/80/14/09/793801409.db2.gz VGXOCOIITOCUKG-ZJUUUORDSA-N 1 0 346.409 -2.774 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001208685839 793800140 /nfs/dbraw/zinc/80/01/40/793800140.db2.gz BCEAZFBOZMBVTI-BMIGLBTASA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001208685842 793801808 /nfs/dbraw/zinc/80/18/08/793801808.db2.gz BCEAZFBOZMBVTI-BONVTDFDSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001208685843 793800495 /nfs/dbraw/zinc/80/04/95/793800495.db2.gz BCEAZFBOZMBVTI-MEBBXXQBSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001208685844 793800868 /nfs/dbraw/zinc/80/08/68/793800868.db2.gz BCEAZFBOZMBVTI-ZUZCIYMTSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CNC(=O)C1 ZINC001208686700 793801429 /nfs/dbraw/zinc/80/14/29/793801429.db2.gz GCZPWVNYVMDXTJ-LKFCYVNXSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CNC(=O)C1 ZINC001208686701 793801013 /nfs/dbraw/zinc/80/10/13/793801013.db2.gz GCZPWVNYVMDXTJ-OTYXRUKQSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CNC(=O)C1 ZINC001208686702 793800673 /nfs/dbraw/zinc/80/06/73/793800673.db2.gz GCZPWVNYVMDXTJ-XPTSAGLGSA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@]1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CNC(=O)C1 ZINC001208686703 793801294 /nfs/dbraw/zinc/80/12/94/793801294.db2.gz GCZPWVNYVMDXTJ-YMTOWFKASA-N 1 0 325.369 -1.712 20 0 EAADRO C[C@]1(C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CNC(=O)C1 ZINC001208687380 793801245 /nfs/dbraw/zinc/80/12/45/793801245.db2.gz LVNNMHKKWIHFKB-BXUZGUMPSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CNC(=O)C1 ZINC001208687387 793800828 /nfs/dbraw/zinc/80/08/28/793800828.db2.gz LVNNMHKKWIHFKB-FZMZJTMJSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CNC(=O)C1 ZINC001208687390 793801476 /nfs/dbraw/zinc/80/14/76/793801476.db2.gz LVNNMHKKWIHFKB-RISCZKNCSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CNC(=O)C1 ZINC001208687397 793801090 /nfs/dbraw/zinc/80/10/90/793801090.db2.gz LVNNMHKKWIHFKB-SMDDNHRTSA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001208688250 793800405 /nfs/dbraw/zinc/80/04/05/793800405.db2.gz QYWQXXGARFEHPA-JQWIXIFHSA-N 1 0 334.380 -1.308 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001208688251 793801452 /nfs/dbraw/zinc/80/14/52/793801452.db2.gz QYWQXXGARFEHPA-PWSUYJOCSA-N 1 0 334.380 -1.308 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001208695842 793800426 /nfs/dbraw/zinc/80/04/26/793800426.db2.gz CYKOWJIEZXGPEI-LLVKDONJSA-N 1 0 344.379 -1.003 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001208695843 793800159 /nfs/dbraw/zinc/80/01/59/793800159.db2.gz CYKOWJIEZXGPEI-NSHDSACASA-N 1 0 344.379 -1.003 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208703498 793801733 /nfs/dbraw/zinc/80/17/33/793801733.db2.gz CWVOUZCUTDRLDP-CHWSQXEVSA-N 1 0 341.412 -1.440 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208703499 793800541 /nfs/dbraw/zinc/80/05/41/793800541.db2.gz CWVOUZCUTDRLDP-OLZOCXBDSA-N 1 0 341.412 -1.440 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208703501 793801162 /nfs/dbraw/zinc/80/11/62/793801162.db2.gz CWVOUZCUTDRLDP-QWHCGFSZSA-N 1 0 341.412 -1.440 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208703503 793801796 /nfs/dbraw/zinc/80/17/96/793801796.db2.gz CWVOUZCUTDRLDP-STQMWFEESA-N 1 0 341.412 -1.440 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208704736 793800063 /nfs/dbraw/zinc/80/00/63/793800063.db2.gz NDDFYFMHHVHPAS-GFCCVEGCSA-N 1 0 338.412 -1.311 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208704737 793801856 /nfs/dbraw/zinc/80/18/56/793801856.db2.gz NDDFYFMHHVHPAS-LBPRGKRZSA-N 1 0 338.412 -1.311 20 0 EAADRO Cn1cnn(CCC(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)c1=O ZINC001208704857 793801203 /nfs/dbraw/zinc/80/12/03/793801203.db2.gz PJVHTRZIIFCMMM-CYBMUJFWSA-N 1 0 341.412 -1.439 20 0 EAADRO Cn1cnn(CCC(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)c1=O ZINC001208704861 793801537 /nfs/dbraw/zinc/80/15/37/793801537.db2.gz PJVHTRZIIFCMMM-ZDUSSCGKSA-N 1 0 341.412 -1.439 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208705066 793800525 /nfs/dbraw/zinc/80/05/25/793800525.db2.gz QCVAEKHIRIPXMR-GFCCVEGCSA-N 1 0 338.412 -1.359 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208705067 793800224 /nfs/dbraw/zinc/80/02/24/793800224.db2.gz QCVAEKHIRIPXMR-LBPRGKRZSA-N 1 0 338.412 -1.359 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208706065 793801745 /nfs/dbraw/zinc/80/17/45/793801745.db2.gz XUISFJHJJGFVSA-NEPJUHHUSA-N 1 0 338.412 -1.313 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208706066 793800694 /nfs/dbraw/zinc/80/06/94/793800694.db2.gz XUISFJHJJGFVSA-NWDGAFQWSA-N 1 0 338.412 -1.313 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208706067 793800655 /nfs/dbraw/zinc/80/06/55/793800655.db2.gz XUISFJHJJGFVSA-RYUDHWBXSA-N 1 0 338.412 -1.313 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001208706068 793801486 /nfs/dbraw/zinc/80/14/86/793801486.db2.gz XUISFJHJJGFVSA-VXGBXAGGSA-N 1 0 338.412 -1.313 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001208718983 793800975 /nfs/dbraw/zinc/80/09/75/793800975.db2.gz SXWZBUFFMZCZRL-SECBINFHSA-N 1 0 337.336 -1.232 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001208718984 793800743 /nfs/dbraw/zinc/80/07/43/793800743.db2.gz SXWZBUFFMZCZRL-VIFPVBQESA-N 1 0 337.336 -1.232 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001208738240 793801037 /nfs/dbraw/zinc/80/10/37/793801037.db2.gz LRBBAQMOSGGFHZ-GHMZBOCLSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001208738241 793801572 /nfs/dbraw/zinc/80/15/72/793801572.db2.gz LRBBAQMOSGGFHZ-MNOVXSKESA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001208738242 793800610 /nfs/dbraw/zinc/80/06/10/793800610.db2.gz LRBBAQMOSGGFHZ-QWRGUYRKSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001208738243 793799989 /nfs/dbraw/zinc/79/99/89/793799989.db2.gz LRBBAQMOSGGFHZ-WDEREUQCSA-N 1 0 339.396 -1.322 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001208756966 793801648 /nfs/dbraw/zinc/80/16/48/793801648.db2.gz BCPDSBGEBFFINA-LLVKDONJSA-N 1 0 345.429 -2.088 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001208756973 793800269 /nfs/dbraw/zinc/80/02/69/793800269.db2.gz BCPDSBGEBFFINA-NSHDSACASA-N 1 0 345.429 -2.088 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208757024 793801551 /nfs/dbraw/zinc/80/15/51/793801551.db2.gz BJMOZRJBBXWJNT-NXEZZACHSA-N 1 0 335.430 -2.245 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208757044 793801769 /nfs/dbraw/zinc/80/17/69/793801769.db2.gz BJMOZRJBBXWJNT-UWVGGRQHSA-N 1 0 335.430 -2.245 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208757048 793801183 /nfs/dbraw/zinc/80/11/83/793801183.db2.gz BJMOZRJBBXWJNT-VHSXEESVSA-N 1 0 335.430 -2.245 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208757051 793800716 /nfs/dbraw/zinc/80/07/16/793800716.db2.gz BJMOZRJBBXWJNT-ZJUUUORDSA-N 1 0 335.430 -2.245 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001208757107 793800289 /nfs/dbraw/zinc/80/02/89/793800289.db2.gz BVWIWLCIHLKYOY-GHMZBOCLSA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001208757121 793800306 /nfs/dbraw/zinc/80/03/06/793800306.db2.gz BVWIWLCIHLKYOY-MNOVXSKESA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001208757126 793801168 /nfs/dbraw/zinc/80/11/68/793801168.db2.gz BVWIWLCIHLKYOY-QWRGUYRKSA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001208757129 793800452 /nfs/dbraw/zinc/80/04/52/793800452.db2.gz BVWIWLCIHLKYOY-WDEREUQCSA-N 1 0 347.441 -2.149 20 0 EAADRO CCC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001208758132 793800086 /nfs/dbraw/zinc/80/00/86/793800086.db2.gz HOAMGMLXVJXWQK-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001208758133 793800571 /nfs/dbraw/zinc/80/05/71/793800571.db2.gz HOAMGMLXVJXWQK-MNOVXSKESA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001208758134 793800029 /nfs/dbraw/zinc/80/00/29/793800029.db2.gz HOAMGMLXVJXWQK-QWRGUYRKSA-N 1 0 334.442 -1.230 20 0 EAADRO CCC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001208758136 793800923 /nfs/dbraw/zinc/80/09/23/793800923.db2.gz HOAMGMLXVJXWQK-WDEREUQCSA-N 1 0 334.442 -1.230 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1)C(N)=O ZINC001208758147 793800600 /nfs/dbraw/zinc/80/06/00/793800600.db2.gz HQYQQVMXVPDUCC-NXEZZACHSA-N 1 0 335.430 -2.115 20 0 EAADRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1)C(N)=O ZINC001208758149 793800889 /nfs/dbraw/zinc/80/08/89/793800889.db2.gz HQYQQVMXVPDUCC-UWVGGRQHSA-N 1 0 335.430 -2.115 20 0 EAADRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1)C(N)=O ZINC001208758150 793800014 /nfs/dbraw/zinc/80/00/14/793800014.db2.gz HQYQQVMXVPDUCC-VHSXEESVSA-N 1 0 335.430 -2.115 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1)C(N)=O ZINC001208758151 793800125 /nfs/dbraw/zinc/80/01/25/793800125.db2.gz HQYQQVMXVPDUCC-ZJUUUORDSA-N 1 0 335.430 -2.115 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001208758212 793801636 /nfs/dbraw/zinc/80/16/36/793801636.db2.gz IZFWJHFAAWPZQU-GHMZBOCLSA-N 1 0 347.441 -2.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001208758213 793801259 /nfs/dbraw/zinc/80/12/59/793801259.db2.gz IZFWJHFAAWPZQU-MNOVXSKESA-N 1 0 347.441 -2.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001208758214 793800116 /nfs/dbraw/zinc/80/01/16/793800116.db2.gz IZFWJHFAAWPZQU-QWRGUYRKSA-N 1 0 347.441 -2.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001208758216 793800280 /nfs/dbraw/zinc/80/02/80/793800280.db2.gz IZFWJHFAAWPZQU-WDEREUQCSA-N 1 0 347.441 -2.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001208758223 793800839 /nfs/dbraw/zinc/80/08/39/793800839.db2.gz JDLGYVDTKVKGJH-NEPJUHHUSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001208758224 793800518 /nfs/dbraw/zinc/80/05/18/793800518.db2.gz JDLGYVDTKVKGJH-NWDGAFQWSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001208758225 793800205 /nfs/dbraw/zinc/80/02/05/793800205.db2.gz JDLGYVDTKVKGJH-RYUDHWBXSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001208758227 793801690 /nfs/dbraw/zinc/80/16/90/793801690.db2.gz JDLGYVDTKVKGJH-VXGBXAGGSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208758457 793800954 /nfs/dbraw/zinc/80/09/54/793800954.db2.gz KDOPSSBDBXBUIN-JTQLQIEISA-N 1 0 335.430 -2.291 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208758461 793800476 /nfs/dbraw/zinc/80/04/76/793800476.db2.gz KDOPSSBDBXBUIN-SNVBAGLBSA-N 1 0 335.430 -2.291 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208758466 793800999 /nfs/dbraw/zinc/80/09/99/793800999.db2.gz KICBMZMGZVTENC-LLVKDONJSA-N 1 0 349.457 -1.853 20 0 EAADRO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208758470 793801053 /nfs/dbraw/zinc/80/10/53/793801053.db2.gz KICBMZMGZVTENC-NSHDSACASA-N 1 0 349.457 -1.853 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001208758472 793801833 /nfs/dbraw/zinc/80/18/33/793801833.db2.gz KJQJBTFYEZJPKF-GHMZBOCLSA-N 1 0 349.457 -1.903 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001208758478 793801131 /nfs/dbraw/zinc/80/11/31/793801131.db2.gz KJQJBTFYEZJPKF-MNOVXSKESA-N 1 0 349.457 -1.903 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001208758479 793801510 /nfs/dbraw/zinc/80/15/10/793801510.db2.gz KJQJBTFYEZJPKF-QWRGUYRKSA-N 1 0 349.457 -1.903 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001208758480 793800046 /nfs/dbraw/zinc/80/00/46/793800046.db2.gz KJQJBTFYEZJPKF-WDEREUQCSA-N 1 0 349.457 -1.903 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208759108 793802738 /nfs/dbraw/zinc/80/27/38/793802738.db2.gz QXTFHCCZCOOAEF-LLVKDONJSA-N 1 0 338.430 -2.370 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001208759117 793802365 /nfs/dbraw/zinc/80/23/65/793802365.db2.gz QXTFHCCZCOOAEF-NSHDSACASA-N 1 0 338.430 -2.370 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208759458 793802588 /nfs/dbraw/zinc/80/25/88/793802588.db2.gz SNRUGUSNJUGFEG-GHMZBOCLSA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001208759459 793802700 /nfs/dbraw/zinc/80/27/00/793802700.db2.gz SNRUGUSNJUGFEG-MNOVXSKESA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001208759460 793804022 /nfs/dbraw/zinc/80/40/22/793804022.db2.gz SNRUGUSNJUGFEG-QWRGUYRKSA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208759461 793803425 /nfs/dbraw/zinc/80/34/25/793803425.db2.gz SNRUGUSNJUGFEG-WDEREUQCSA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001208759520 793802223 /nfs/dbraw/zinc/80/22/23/793802223.db2.gz UKWWYEGWXASQOY-GFCCVEGCSA-N 1 0 344.441 -1.483 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC001208759521 793803816 /nfs/dbraw/zinc/80/38/16/793803816.db2.gz UKWWYEGWXASQOY-LBPRGKRZSA-N 1 0 344.441 -1.483 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001208759837 793803650 /nfs/dbraw/zinc/80/36/50/793803650.db2.gz VPITVXWRQALBHL-NEPJUHHUSA-N 1 0 336.458 -1.218 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001208759843 793803359 /nfs/dbraw/zinc/80/33/59/793803359.db2.gz VPITVXWRQALBHL-NWDGAFQWSA-N 1 0 336.458 -1.218 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001208759844 793802829 /nfs/dbraw/zinc/80/28/29/793802829.db2.gz VPITVXWRQALBHL-RYUDHWBXSA-N 1 0 336.458 -1.218 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001208759846 793803020 /nfs/dbraw/zinc/80/30/20/793803020.db2.gz VPITVXWRQALBHL-VXGBXAGGSA-N 1 0 336.458 -1.218 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC001208760229 793803177 /nfs/dbraw/zinc/80/31/77/793803177.db2.gz XTBAIPLQTWHXIY-SECBINFHSA-N 1 0 348.454 -1.328 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC001208760230 793803737 /nfs/dbraw/zinc/80/37/37/793803737.db2.gz XTBAIPLQTWHXIY-VIFPVBQESA-N 1 0 348.454 -1.328 20 0 EAADRO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCc1cn[nH]n1 ZINC001208764055 793804076 /nfs/dbraw/zinc/80/40/76/793804076.db2.gz XHGDTYXVBWAYPS-ZYHUDNBSSA-N 1 0 349.395 -1.274 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC001208767510 793802957 /nfs/dbraw/zinc/80/29/57/793802957.db2.gz ALPFXODCZLQGAT-LLVKDONJSA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001208767521 793802714 /nfs/dbraw/zinc/80/27/14/793802714.db2.gz ALPFXODCZLQGAT-NSHDSACASA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001208767724 793802628 /nfs/dbraw/zinc/80/26/28/793802628.db2.gz CMGCWKKYXUJVEJ-LLVKDONJSA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001208767725 793803940 /nfs/dbraw/zinc/80/39/40/793803940.db2.gz CMGCWKKYXUJVEJ-NSHDSACASA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001208767764 793802189 /nfs/dbraw/zinc/80/21/89/793802189.db2.gz DBVLIUIAQFBSFV-JTQLQIEISA-N 1 0 345.429 -2.051 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001208767765 793802987 /nfs/dbraw/zinc/80/29/87/793802987.db2.gz DBVLIUIAQFBSFV-SNVBAGLBSA-N 1 0 345.429 -2.051 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001208769190 793802782 /nfs/dbraw/zinc/80/27/82/793802782.db2.gz IODIBAQTZXJNEN-LLVKDONJSA-N 1 0 347.441 -2.147 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001208769198 793803874 /nfs/dbraw/zinc/80/38/74/793803874.db2.gz IODIBAQTZXJNEN-NSHDSACASA-N 1 0 347.441 -2.147 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001208769290 793802681 /nfs/dbraw/zinc/80/26/81/793802681.db2.gz JOHAGABMYVQYQJ-LLVKDONJSA-N 1 0 349.457 -1.855 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001208769291 793804183 /nfs/dbraw/zinc/80/41/83/793804183.db2.gz JOHAGABMYVQYQJ-NSHDSACASA-N 1 0 349.457 -1.855 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208769304 793802325 /nfs/dbraw/zinc/80/23/25/793802325.db2.gz JSMZQOGFDWNQSN-LLVKDONJSA-N 1 0 349.457 -1.901 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208769305 793803159 /nfs/dbraw/zinc/80/31/59/793803159.db2.gz JSMZQOGFDWNQSN-NSHDSACASA-N 1 0 349.457 -1.901 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001208769557 793802062 /nfs/dbraw/zinc/80/20/62/793802062.db2.gz LCXJMSOCHJXCLX-LLVKDONJSA-N 1 0 347.441 -2.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001208769558 793803899 /nfs/dbraw/zinc/80/38/99/793803899.db2.gz LCXJMSOCHJXCLX-NSHDSACASA-N 1 0 347.441 -2.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001208769885 793802863 /nfs/dbraw/zinc/80/28/63/793802863.db2.gz MRBMHVVTPWIEMF-NXEZZACHSA-N 1 0 333.414 -2.491 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001208769895 793801968 /nfs/dbraw/zinc/80/19/68/793801968.db2.gz MRBMHVVTPWIEMF-UWVGGRQHSA-N 1 0 333.414 -2.491 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001208769896 793803569 /nfs/dbraw/zinc/80/35/69/793803569.db2.gz MRBMHVVTPWIEMF-VHSXEESVSA-N 1 0 333.414 -2.491 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001208769898 793802307 /nfs/dbraw/zinc/80/23/07/793802307.db2.gz MRBMHVVTPWIEMF-ZJUUUORDSA-N 1 0 333.414 -2.491 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001208769908 793804152 /nfs/dbraw/zinc/80/41/52/793804152.db2.gz MSTGYAGFLWEFLB-GFCCVEGCSA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001208769910 793802373 /nfs/dbraw/zinc/80/23/73/793802373.db2.gz MSTGYAGFLWEFLB-LBPRGKRZSA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001208770146 793803057 /nfs/dbraw/zinc/80/30/57/793803057.db2.gz PHJJQIDELUGVPE-LLVKDONJSA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001208770147 793803686 /nfs/dbraw/zinc/80/36/86/793803686.db2.gz PHJJQIDELUGVPE-NSHDSACASA-N 1 0 344.441 -1.446 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208770233 793802815 /nfs/dbraw/zinc/80/28/15/793802815.db2.gz RBSHOXNFCMUVMQ-JTQLQIEISA-N 1 0 335.430 -2.243 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208770235 793802235 /nfs/dbraw/zinc/80/22/35/793802235.db2.gz RBSHOXNFCMUVMQ-SNVBAGLBSA-N 1 0 335.430 -2.243 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001208771369 793804253 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20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001208797881 793802087 /nfs/dbraw/zinc/80/20/87/793802087.db2.gz VKHVZFPGPSOVJY-HZSPNIEDSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001208797882 793802973 /nfs/dbraw/zinc/80/29/73/793802973.db2.gz VKHVZFPGPSOVJY-MELADBBJSA-N 1 0 340.424 -1.051 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001208860304 793803824 /nfs/dbraw/zinc/80/38/24/793803824.db2.gz HPAJMWXLOAHRFX-JTQLQIEISA-N 1 0 347.383 -1.366 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001208860307 793802505 /nfs/dbraw/zinc/80/25/05/793802505.db2.gz HPAJMWXLOAHRFX-SNVBAGLBSA-N 1 0 347.383 -1.366 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001208868787 793803031 /nfs/dbraw/zinc/80/30/31/793803031.db2.gz IIXFVPHFNBDPBK-GFCCVEGCSA-N 1 0 346.391 -1.177 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001208868791 793805291 /nfs/dbraw/zinc/80/52/91/793805291.db2.gz IIXFVPHFNBDPBK-LBPRGKRZSA-N 1 0 346.391 -1.177 20 0 EAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC001208888746 793805582 /nfs/dbraw/zinc/80/55/82/793805582.db2.gz CWHUZCQEXQVMOB-IJLUTSLNSA-N 1 0 335.426 -1.747 20 0 EAADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC001208888747 793804787 /nfs/dbraw/zinc/80/47/87/793804787.db2.gz CWHUZCQEXQVMOB-QJPTWQEYSA-N 1 0 335.426 -1.747 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)c1=O ZINC001208899678 793804491 /nfs/dbraw/zinc/80/44/91/793804491.db2.gz CRELLYOVCBTIRZ-LLVKDONJSA-N 1 0 340.380 -1.311 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)c1=O ZINC001208899681 793806543 /nfs/dbraw/zinc/80/65/43/793806543.db2.gz CRELLYOVCBTIRZ-NSHDSACASA-N 1 0 340.380 -1.311 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CC3)C2)c1=O ZINC001208901578 793804437 /nfs/dbraw/zinc/80/44/37/793804437.db2.gz OXIJJGNRYKPTQN-LLVKDONJSA-N 1 0 349.391 -1.041 20 0 EAADRO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CC3)C2)c1=O ZINC001208901580 793805036 /nfs/dbraw/zinc/80/50/36/793805036.db2.gz OXIJJGNRYKPTQN-NSHDSACASA-N 1 0 349.391 -1.041 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208909290 793805441 /nfs/dbraw/zinc/80/54/41/793805441.db2.gz GIMQJDOXZDFRMW-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208909295 793806013 /nfs/dbraw/zinc/80/60/13/793806013.db2.gz GIMQJDOXZDFRMW-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO CN1C(=O)CC[C@H]1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208909297 793806479 /nfs/dbraw/zinc/80/64/79/793806479.db2.gz GIMQJDOXZDFRMW-QWRGUYRKSA-N 1 0 339.396 -1.227 20 0 EAADRO CN1C(=O)CC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208909298 793804955 /nfs/dbraw/zinc/80/49/55/793804955.db2.gz GIMQJDOXZDFRMW-WDEREUQCSA-N 1 0 339.396 -1.227 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001208911196 793805887 /nfs/dbraw/zinc/80/58/87/793805887.db2.gz YBOCWLFLBKXNMO-JTQLQIEISA-N 1 0 330.414 -1.143 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001208911204 793804860 /nfs/dbraw/zinc/80/48/60/793804860.db2.gz YBOCWLFLBKXNMO-SNVBAGLBSA-N 1 0 330.414 -1.143 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001208913544 793804824 /nfs/dbraw/zinc/80/48/24/793804824.db2.gz NWADHFIDLHDBHO-GRYCIOLGSA-N 1 0 337.442 -1.631 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001208913550 793805978 /nfs/dbraw/zinc/80/59/78/793805978.db2.gz NWADHFIDLHDBHO-IJLUTSLNSA-N 1 0 337.442 -1.631 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001208919406 793806321 /nfs/dbraw/zinc/80/63/21/793806321.db2.gz RCYWXLVIUYJYDN-JTQLQIEISA-N 1 0 346.351 -1.487 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001208919408 793804516 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COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039723 793809997 /nfs/dbraw/zinc/80/99/97/793809997.db2.gz LWCAXTQJQQCLDX-NEPJUHHUSA-N 1 0 342.400 -1.572 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039724 793810205 /nfs/dbraw/zinc/81/02/05/793810205.db2.gz LWCAXTQJQQCLDX-NWDGAFQWSA-N 1 0 342.400 -1.572 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039725 793810235 /nfs/dbraw/zinc/81/02/35/793810235.db2.gz LWCAXTQJQQCLDX-RYUDHWBXSA-N 1 0 342.400 -1.572 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039726 793810526 /nfs/dbraw/zinc/81/05/26/793810526.db2.gz LWCAXTQJQQCLDX-VXGBXAGGSA-N 1 0 342.400 -1.572 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039741 793809334 /nfs/dbraw/zinc/80/93/34/793809334.db2.gz MDJKYOPGGGNEQP-SECBINFHSA-N 1 0 338.372 -1.750 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039742 793810186 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CN(CC[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1)S(C)(=O)=O ZINC001209040656 793809183 /nfs/dbraw/zinc/80/91/83/793809183.db2.gz XNVLNXYCGYOHTB-SNVBAGLBSA-N 1 0 345.429 -1.704 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209049850 793810535 /nfs/dbraw/zinc/81/05/35/793810535.db2.gz ABMJPZZQGDTZMN-JTQLQIEISA-N 1 0 345.429 -1.656 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209049851 793810705 /nfs/dbraw/zinc/81/07/05/793810705.db2.gz ABMJPZZQGDTZMN-SNVBAGLBSA-N 1 0 345.429 -1.656 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001209050527 793809754 /nfs/dbraw/zinc/80/97/54/793809754.db2.gz DGGUAAJMKZFZBD-SECBINFHSA-N 1 0 331.402 -2.047 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001209050536 793810016 /nfs/dbraw/zinc/81/00/16/793810016.db2.gz DGGUAAJMKZFZBD-VIFPVBQESA-N 1 0 331.402 -2.047 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209051366 793809507 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339.396 -1.357 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)n1 ZINC001209053263 793810748 /nfs/dbraw/zinc/81/07/48/793810748.db2.gz SGQUYHJMUYNDLW-JTQLQIEISA-N 1 0 330.414 -1.161 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)n1 ZINC001209053264 793810635 /nfs/dbraw/zinc/81/06/35/793810635.db2.gz SGQUYHJMUYNDLW-SNVBAGLBSA-N 1 0 330.414 -1.161 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209059052 793812730 /nfs/dbraw/zinc/81/27/30/793812730.db2.gz DALNYLHDLQMOCG-BDAKNGLRSA-N 1 0 338.372 -1.752 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209059060 793811121 /nfs/dbraw/zinc/81/11/21/793811121.db2.gz DALNYLHDLQMOCG-DTWKUNHWSA-N 1 0 338.372 -1.752 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209059063 793812941 /nfs/dbraw/zinc/81/29/41/793812941.db2.gz DALNYLHDLQMOCG-IUCAKERBSA-N 1 0 338.372 -1.752 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 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O=C(Cn1ncn2nccc2c1=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001209923100 793828179 /nfs/dbraw/zinc/82/81/79/793828179.db2.gz YOVQUUJKASARBV-GFCCVEGCSA-N 1 0 334.380 -1.146 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001209923103 793829329 /nfs/dbraw/zinc/82/93/29/793829329.db2.gz YOVQUUJKASARBV-LBPRGKRZSA-N 1 0 334.380 -1.146 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001209923154 793830573 /nfs/dbraw/zinc/83/05/73/793830573.db2.gz ZHYGXJVNTUQUDE-JTQLQIEISA-N 1 0 337.380 -1.976 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001209923161 793831449 /nfs/dbraw/zinc/83/14/49/793831449.db2.gz ZHYGXJVNTUQUDE-SNVBAGLBSA-N 1 0 337.380 -1.976 20 0 EAADRO C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)COCc1ncnn1C ZINC001209928223 793831376 /nfs/dbraw/zinc/83/13/76/793831376.db2.gz BSECBXIELSQADW-CHWSQXEVSA-N 1 0 341.412 -1.223 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001209928442 793831108 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EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001209941252 793831431 /nfs/dbraw/zinc/83/14/31/793831431.db2.gz UGKQVRPPSRCDKP-VIFPVBQESA-N 1 0 339.352 -2.266 20 0 EAADRO COCCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209941786 793830698 /nfs/dbraw/zinc/83/06/98/793830698.db2.gz YCQWKXLTSBOSKD-GHMZBOCLSA-N 1 0 330.385 -1.187 20 0 EAADRO COCCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209941793 793830473 /nfs/dbraw/zinc/83/04/73/793830473.db2.gz YCQWKXLTSBOSKD-MNOVXSKESA-N 1 0 330.385 -1.187 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209941795 793830750 /nfs/dbraw/zinc/83/07/50/793830750.db2.gz YCQWKXLTSBOSKD-QWRGUYRKSA-N 1 0 330.385 -1.187 20 0 EAADRO COCCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209941797 793831644 /nfs/dbraw/zinc/83/16/44/793831644.db2.gz YCQWKXLTSBOSKD-WDEREUQCSA-N 1 0 330.385 -1.187 20 0 EAADRO COCC[NH2+][C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001209941912 793831744 /nfs/dbraw/zinc/83/17/44/793831744.db2.gz YNZBSXTTWWFLAU-JTQLQIEISA-N 1 0 326.353 -1.366 20 0 EAADRO COCC[NH2+][C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001209941913 793830425 /nfs/dbraw/zinc/83/04/25/793830425.db2.gz YNZBSXTTWWFLAU-SNVBAGLBSA-N 1 0 326.353 -1.366 20 0 EAADRO CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209962991 793830910 /nfs/dbraw/zinc/83/09/10/793830910.db2.gz DPVOEKOZCLARIK-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209962994 793831261 /nfs/dbraw/zinc/83/12/61/793831261.db2.gz DPVOEKOZCLARIK-STQMWFEESA-N 1 0 328.413 -1.016 20 0 EAADRO COc1cncc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001209963723 793830977 /nfs/dbraw/zinc/83/09/77/793830977.db2.gz JHKPAANJYRQXRP-SECBINFHSA-N 1 0 336.352 -1.126 20 0 EAADRO COc1cncc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001209963726 793830889 /nfs/dbraw/zinc/83/08/89/793830889.db2.gz JHKPAANJYRQXRP-VIFPVBQESA-N 1 0 336.352 -1.126 20 0 EAADRO COCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209963790 793830027 /nfs/dbraw/zinc/83/00/27/793830027.db2.gz JWBBLOVSMLFSBE-OLZOCXBDSA-N 1 0 328.413 -1.016 20 0 EAADRO COCCC[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209963792 793830174 /nfs/dbraw/zinc/83/01/74/793830174.db2.gz JWBBLOVSMLFSBE-STQMWFEESA-N 1 0 328.413 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1)C(N)=O ZINC001209964084 793830765 /nfs/dbraw/zinc/83/07/65/793830765.db2.gz NKUOEKOQIYTPCK-OLZOCXBDSA-N 1 0 344.412 -2.044 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)C(N)=O ZINC001209964088 793829887 /nfs/dbraw/zinc/82/98/87/793829887.db2.gz NKUOEKOQIYTPCK-STQMWFEESA-N 1 0 344.412 -2.044 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1)C(N)=O ZINC001209971601 793831072 /nfs/dbraw/zinc/83/10/72/793831072.db2.gz ALCIJUGFCFSUGP-NEPJUHHUSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1)C(N)=O ZINC001209971602 793831589 /nfs/dbraw/zinc/83/15/89/793831589.db2.gz ALCIJUGFCFSUGP-RYUDHWBXSA-N 1 0 341.412 -1.965 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209973696 793830437 /nfs/dbraw/zinc/83/04/37/793830437.db2.gz OYDGNYJEAFFOFZ-NEPJUHHUSA-N 1 0 341.412 -1.917 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209973697 793830143 /nfs/dbraw/zinc/83/01/43/793830143.db2.gz OYDGNYJEAFFOFZ-RYUDHWBXSA-N 1 0 341.412 -1.917 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209973756 793830038 /nfs/dbraw/zinc/83/00/38/793830038.db2.gz QOCKZXMOEDRNHB-AGIUHOORSA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209973757 793830718 /nfs/dbraw/zinc/83/07/18/793830718.db2.gz QOCKZXMOEDRNHB-AVGNSLFASA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209973759 793831364 /nfs/dbraw/zinc/83/13/64/793831364.db2.gz QOCKZXMOEDRNHB-UPJWGTAASA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209973760 793831245 /nfs/dbraw/zinc/83/12/45/793831245.db2.gz QOCKZXMOEDRNHB-XQQFMLRXSA-N 1 0 344.412 -2.046 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209974532 793830590 /nfs/dbraw/zinc/83/05/90/793830590.db2.gz XSECYEFJVKTSCP-MNOVXSKESA-N 1 0 327.385 -2.307 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209974540 793830836 /nfs/dbraw/zinc/83/08/36/793830836.db2.gz XSECYEFJVKTSCP-QWRGUYRKSA-N 1 0 327.385 -2.307 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(N)=O ZINC001210010114 793829986 /nfs/dbraw/zinc/82/99/86/793829986.db2.gz LVVGKABIGPIVHI-NXEZZACHSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(N)=O ZINC001210010120 793830127 /nfs/dbraw/zinc/83/01/27/793830127.db2.gz LVVGKABIGPIVHI-UWVGGRQHSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(N)=O ZINC001210010121 793830451 /nfs/dbraw/zinc/83/04/51/793830451.db2.gz LVVGKABIGPIVHI-VHSXEESVSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(N)=O ZINC001210010122 793831684 /nfs/dbraw/zinc/83/16/84/793831684.db2.gz LVVGKABIGPIVHI-ZJUUUORDSA-N 1 0 334.442 -1.231 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001210017543 793831000 /nfs/dbraw/zinc/83/10/00/793831000.db2.gz BEVMXJMJRVOTPR-JQWIXIFHSA-N 1 0 334.442 -1.374 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001210017547 793830212 /nfs/dbraw/zinc/83/02/12/793830212.db2.gz BEVMXJMJRVOTPR-PWSUYJOCSA-N 1 0 334.442 -1.374 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001210018831 785106758 /nfs/dbraw/zinc/10/67/58/785106758.db2.gz PYLSKXQLGZRIDI-AAEUAGOBSA-N 1 0 348.469 -1.113 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001210018832 785107922 /nfs/dbraw/zinc/10/79/22/785107922.db2.gz PYLSKXQLGZRIDI-YPMHNXCESA-N 1 0 348.469 -1.113 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001210018989 793830613 /nfs/dbraw/zinc/83/06/13/793830613.db2.gz SUTVLYRMFHRHMO-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001210018990 793829967 /nfs/dbraw/zinc/82/99/67/793829967.db2.gz SUTVLYRMFHRHMO-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210019125 793829945 /nfs/dbraw/zinc/82/99/45/793829945.db2.gz VQHHLXJTODYGSG-GHMZBOCLSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210019126 793831623 /nfs/dbraw/zinc/83/16/23/793831623.db2.gz VQHHLXJTODYGSG-MNOVXSKESA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210019127 793830924 /nfs/dbraw/zinc/83/09/24/793830924.db2.gz 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COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001210993386 793857601 /nfs/dbraw/zinc/85/76/01/793857601.db2.gz IMWFUTZBQHZLKQ-WDEREUQCSA-N 1 0 337.380 -1.223 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001210993427 785129895 /nfs/dbraw/zinc/12/98/95/785129895.db2.gz JMMJROGHZQBBPW-MRVPVSSYSA-N 1 0 349.351 -2.035 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001210993428 785129476 /nfs/dbraw/zinc/12/94/76/785129476.db2.gz JMMJROGHZQBBPW-QMMMGPOBSA-N 1 0 349.351 -2.035 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001210994063 793857390 /nfs/dbraw/zinc/85/73/90/793857390.db2.gz MULFNSBEDSBSMK-JTQLQIEISA-N 1 0 334.380 -1.094 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001210994065 793857267 /nfs/dbraw/zinc/85/72/67/793857267.db2.gz MULFNSBEDSBSMK-SNVBAGLBSA-N 1 0 334.380 -1.094 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001210994903 793858139 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CN(CC[NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1)S(C)(=O)=O ZINC001211000330 793858021 /nfs/dbraw/zinc/85/80/21/793858021.db2.gz AQDCRPRQFYZFPX-LLVKDONJSA-N 1 0 349.457 -1.483 20 0 EAADRO CN(CC[NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1)S(C)(=O)=O ZINC001211000331 793857614 /nfs/dbraw/zinc/85/76/14/793857614.db2.gz AQDCRPRQFYZFPX-NSHDSACASA-N 1 0 349.457 -1.483 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211000541 793857156 /nfs/dbraw/zinc/85/71/56/793857156.db2.gz FFGQYPIXHJYWHF-SECBINFHSA-N 1 0 328.373 -1.919 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211000542 793857808 /nfs/dbraw/zinc/85/78/08/793857808.db2.gz FFGQYPIXHJYWHF-VIFPVBQESA-N 1 0 328.373 -1.919 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211000808 793856785 /nfs/dbraw/zinc/85/67/85/793856785.db2.gz IMQINEVBJBYBKQ-JTQLQIEISA-N 1 0 342.400 -1.529 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211000809 793857976 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Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)CCNC(N)=O)C2)nc1=O ZINC001211001545 793857923 /nfs/dbraw/zinc/85/79/23/793857923.db2.gz MOIIMAOKNSTAGT-VIFPVBQESA-N 1 0 325.373 -1.753 20 0 EAADRO NC(=O)NCCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001211001616 793857037 /nfs/dbraw/zinc/85/70/37/793857037.db2.gz NZSAGCBOBAJXRN-GFCCVEGCSA-N 1 0 341.412 -1.516 20 0 EAADRO NC(=O)NCCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001211001617 793857552 /nfs/dbraw/zinc/85/75/52/793857552.db2.gz NZSAGCBOBAJXRN-LBPRGKRZSA-N 1 0 341.412 -1.516 20 0 EAADRO NC(=O)NCCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001211002378 793856674 /nfs/dbraw/zinc/85/66/74/793856674.db2.gz SNVRAEJHVFZNHM-NXEZZACHSA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)NCCC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001211002381 793858232 /nfs/dbraw/zinc/85/82/32/793858232.db2.gz SNVRAEJHVFZNHM-UWVGGRQHSA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)NCCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001211002382 793857523 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-1.263 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001211113488 793863596 /nfs/dbraw/zinc/86/35/96/793863596.db2.gz WYFNDTOYWNUFTE-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001211113489 793863682 /nfs/dbraw/zinc/86/36/82/793863682.db2.gz WYFNDTOYWNUFTE-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001211113490 793863736 /nfs/dbraw/zinc/86/37/36/793863736.db2.gz WYFNDTOYWNUFTE-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211118565 793864288 /nfs/dbraw/zinc/86/42/88/793864288.db2.gz HBGIZDRQIJBOJE-JTQLQIEISA-N 1 0 348.425 -1.415 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211118566 793864272 /nfs/dbraw/zinc/86/42/72/793864272.db2.gz HBGIZDRQIJBOJE-SNVBAGLBSA-N 1 0 348.425 -1.415 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1 ZINC001211118899 793863523 /nfs/dbraw/zinc/86/35/23/793863523.db2.gz KYKZCCVNJHQIHK-LLVKDONJSA-N 1 0 339.396 -1.226 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 ZINC001211118900 793863864 /nfs/dbraw/zinc/86/38/64/793863864.db2.gz KYKZCCVNJHQIHK-NSHDSACASA-N 1 0 339.396 -1.226 20 0 EAADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001211124301 793864606 /nfs/dbraw/zinc/86/46/06/793864606.db2.gz UNACUUGCBMRLEE-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC(=O)NC2=O)CC1 ZINC001211124302 793864175 /nfs/dbraw/zinc/86/41/75/793864175.db2.gz UNACUUGCBMRLEE-NSHDSACASA-N 1 0 332.426 -1.652 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001211124949 793863751 /nfs/dbraw/zinc/86/37/51/793863751.db2.gz AGTDWOZOHKYOOK-SECBINFHSA-N 1 0 346.413 -2.262 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001211124950 793864216 /nfs/dbraw/zinc/86/42/16/793864216.db2.gz AGTDWOZOHKYOOK-VIFPVBQESA-N 1 0 346.413 -2.262 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001211125017 793864565 /nfs/dbraw/zinc/86/45/65/793864565.db2.gz AYESKONZZDDIOQ-GHMZBOCLSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001211125018 793863162 /nfs/dbraw/zinc/86/31/62/793863162.db2.gz AYESKONZZDDIOQ-MNOVXSKESA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001211125019 793863578 /nfs/dbraw/zinc/86/35/78/793863578.db2.gz AYESKONZZDDIOQ-QWRGUYRKSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001211125020 793864579 /nfs/dbraw/zinc/86/45/79/793864579.db2.gz AYESKONZZDDIOQ-WDEREUQCSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001211125070 793864589 /nfs/dbraw/zinc/86/45/89/793864589.db2.gz BLLZAUVUGIYVKM-GFCCVEGCSA-N 1 0 346.453 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001211125071 793864052 /nfs/dbraw/zinc/86/40/52/793864052.db2.gz BLLZAUVUGIYVKM-LBPRGKRZSA-N 1 0 346.453 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CCOCCOC)C1 ZINC001211125436 793863511 /nfs/dbraw/zinc/86/35/11/793863511.db2.gz DZUDUFJXBPSPON-GFCCVEGCSA-N 1 0 337.442 -1.221 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CCOCCOC)C1 ZINC001211125437 793864249 /nfs/dbraw/zinc/86/42/49/793864249.db2.gz DZUDUFJXBPSPON-LBPRGKRZSA-N 1 0 337.442 -1.221 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001211125475 793863928 /nfs/dbraw/zinc/86/39/28/793863928.db2.gz FOEHMBFZZAVTHN-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001211125476 793864546 /nfs/dbraw/zinc/86/45/46/793864546.db2.gz FOEHMBFZZAVTHN-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001211125477 793864205 /nfs/dbraw/zinc/86/42/05/793864205.db2.gz FOEHMBFZZAVTHN-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CS(=O)(=O)NC)C2)C1=O ZINC001211125478 793864479 /nfs/dbraw/zinc/86/44/79/793864479.db2.gz FOEHMBFZZAVTHN-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211125514 793863249 /nfs/dbraw/zinc/86/32/49/793863249.db2.gz GJYFFPFDFUTZLZ-LLVKDONJSA-N 1 0 332.426 -1.605 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211125516 793864352 /nfs/dbraw/zinc/86/43/52/793864352.db2.gz GJYFFPFDFUTZLZ-NSHDSACASA-N 1 0 332.426 -1.605 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211125634 793864020 /nfs/dbraw/zinc/86/40/20/793864020.db2.gz HWEVTJANUVXWFU-SECBINFHSA-N 1 0 349.413 -2.428 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211125635 793863787 /nfs/dbraw/zinc/86/37/87/793863787.db2.gz HWEVTJANUVXWFU-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001211125718 793864368 /nfs/dbraw/zinc/86/43/68/793864368.db2.gz IYSJPNJUAXCSLD-NXEZZACHSA-N 1 0 346.409 -2.079 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001211125720 793863416 /nfs/dbraw/zinc/86/34/16/793863416.db2.gz IYSJPNJUAXCSLD-UWVGGRQHSA-N 1 0 346.409 -2.079 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001211125721 793863384 /nfs/dbraw/zinc/86/33/84/793863384.db2.gz IYSJPNJUAXCSLD-VHSXEESVSA-N 1 0 346.409 -2.079 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001211125722 793863402 /nfs/dbraw/zinc/86/34/02/793863402.db2.gz IYSJPNJUAXCSLD-ZJUUUORDSA-N 1 0 346.409 -2.079 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001211125750 793864572 /nfs/dbraw/zinc/86/45/72/793864572.db2.gz JLUOQTAXOAVJBA-LLVKDONJSA-N 1 0 347.441 -1.859 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001211125754 793863377 /nfs/dbraw/zinc/86/33/77/793863377.db2.gz JLUOQTAXOAVJBA-NSHDSACASA-N 1 0 347.441 -1.859 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001211125872 793863562 /nfs/dbraw/zinc/86/35/62/793863562.db2.gz JYSUSLXQAVPJLT-LLVKDONJSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001211125873 793863449 /nfs/dbraw/zinc/86/34/49/793863449.db2.gz JYSUSLXQAVPJLT-NSHDSACASA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001211125914 793864508 /nfs/dbraw/zinc/86/45/08/793864508.db2.gz KWCXNFGSVWGCJO-LLVKDONJSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001211125915 793864623 /nfs/dbraw/zinc/86/46/23/793864623.db2.gz KWCXNFGSVWGCJO-NSHDSACASA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001211125918 793866539 /nfs/dbraw/zinc/86/65/39/793866539.db2.gz LAYZQPOUMXISQP-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001211125919 793866263 /nfs/dbraw/zinc/86/62/63/793866263.db2.gz LAYZQPOUMXISQP-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001211125920 793865891 /nfs/dbraw/zinc/86/58/91/793865891.db2.gz LAYZQPOUMXISQP-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001211125921 793864847 /nfs/dbraw/zinc/86/48/47/793864847.db2.gz LAYZQPOUMXISQP-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001211125934 793866209 /nfs/dbraw/zinc/86/62/09/793866209.db2.gz LPFUXMONHPRIQM-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001211125935 793865745 /nfs/dbraw/zinc/86/57/45/793865745.db2.gz LPFUXMONHPRIQM-LBPRGKRZSA-N 1 0 346.453 -1.261 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211126116 793865654 /nfs/dbraw/zinc/86/56/54/793865654.db2.gz NCRICHOHUZHEEK-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211126117 793865513 /nfs/dbraw/zinc/86/55/13/793865513.db2.gz NCRICHOHUZHEEK-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211126176 793864968 /nfs/dbraw/zinc/86/49/68/793864968.db2.gz ONXRLKRZPIBJBA-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211126177 793865360 /nfs/dbraw/zinc/86/53/60/793865360.db2.gz ONXRLKRZPIBJBA-NSHDSACASA-N 1 0 334.442 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001211126185 793865529 /nfs/dbraw/zinc/86/55/29/793865529.db2.gz OUDQKFMMTJGKTR-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001211126187 793865211 /nfs/dbraw/zinc/86/52/11/793865211.db2.gz OUDQKFMMTJGKTR-LBPRGKRZSA-N 1 0 348.469 -1.017 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001211126188 793866156 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CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001211126974 793866342 /nfs/dbraw/zinc/86/63/42/793866342.db2.gz XCIIZJNHGZQHKN-LLVKDONJSA-N 1 0 332.426 -1.652 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001211126975 793865321 /nfs/dbraw/zinc/86/53/21/793865321.db2.gz XCIIZJNHGZQHKN-NSHDSACASA-N 1 0 332.426 -1.652 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211127056 793866459 /nfs/dbraw/zinc/86/64/59/793866459.db2.gz ZJFVYTNCEIWMCN-MRVPVSSYSA-N 1 0 335.386 -2.689 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211127061 793865006 /nfs/dbraw/zinc/86/50/06/793865006.db2.gz ZJFVYTNCEIWMCN-QMMMGPOBSA-N 1 0 335.386 -2.689 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001211127070 793865100 /nfs/dbraw/zinc/86/51/00/793865100.db2.gz ZPYLKGPICZIDHM-JTQLQIEISA-N 1 0 341.455 -1.839 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001211127074 793865840 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CCS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211249436 793868841 /nfs/dbraw/zinc/86/88/41/793868841.db2.gz NXKRBEAHAHGTFE-VIFPVBQESA-N 1 0 334.398 -1.803 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001211250085 793870612 /nfs/dbraw/zinc/87/06/12/793870612.db2.gz QWAVHLAHQKLHCK-LLVKDONJSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001211250086 793870788 /nfs/dbraw/zinc/87/07/88/793870788.db2.gz QWAVHLAHQKLHCK-NSHDSACASA-N 1 0 339.396 -1.322 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001211256252 793870353 /nfs/dbraw/zinc/87/03/53/793870353.db2.gz CBPMYXJHRRZMNJ-JTQLQIEISA-N 1 0 337.384 -1.954 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001211256253 793869277 /nfs/dbraw/zinc/86/92/77/793869277.db2.gz CBPMYXJHRRZMNJ-SNVBAGLBSA-N 1 0 337.384 -1.954 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)nn1 ZINC001211256452 793870678 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331.413 -1.011 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1OC ZINC001212308864 786035739 /nfs/dbraw/zinc/03/57/39/786035739.db2.gz IXBARIBTFYGDCE-IJLUTSLNSA-N 1 0 337.442 -1.224 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1OC ZINC001212308865 786035391 /nfs/dbraw/zinc/03/53/91/786035391.db2.gz IXBARIBTFYGDCE-QJPTWQEYSA-N 1 0 337.442 -1.224 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212309565 786035953 /nfs/dbraw/zinc/03/59/53/786035953.db2.gz WWEVRMYXJDEQLC-JHJVBQTASA-N 1 0 347.412 -2.038 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212309566 786035516 /nfs/dbraw/zinc/03/55/16/786035516.db2.gz WWEVRMYXJDEQLC-YNEHKIRRSA-N 1 0 347.412 -2.038 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212313165 786035556 /nfs/dbraw/zinc/03/55/56/786035556.db2.gz HRYVCXODQNXBGU-JHJVBQTASA-N 1 0 331.413 -1.275 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC 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331.413 -1.059 20 0 EAADRO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CN(C)C(=O)C1CC1 ZINC001212361518 786119200 /nfs/dbraw/zinc/11/92/00/786119200.db2.gz RVDMUORFFJXCKO-ZIAGYGMSSA-N 1 0 343.424 -1.321 20 0 EAADRO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC001212363640 786118840 /nfs/dbraw/zinc/11/88/40/786118840.db2.gz DONPROUNXOMFJD-VXGBXAGGSA-N 1 0 327.381 -1.277 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1OC ZINC001212363769 786119336 /nfs/dbraw/zinc/11/93/36/786119336.db2.gz KKPFRPDXJNOCAH-BFHYXJOUSA-N 1 0 343.424 -1.057 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1OC ZINC001212363770 786118921 /nfs/dbraw/zinc/11/89/21/786118921.db2.gz KKPFRPDXJNOCAH-MGPQQGTHSA-N 1 0 343.424 -1.057 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1OC ZINC001212363815 786118641 /nfs/dbraw/zinc/11/86/41/786118641.db2.gz MRYXHCIFVNQCEK-JHJVBQTASA-N 1 0 331.413 -1.059 20 0 EAADRO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1OC ZINC001212363816 786118875 /nfs/dbraw/zinc/11/88/75/786118875.db2.gz MRYXHCIFVNQCEK-YNEHKIRRSA-N 1 0 331.413 -1.059 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](OC)C1 ZINC001212363881 786119381 /nfs/dbraw/zinc/11/93/81/786119381.db2.gz QQLIUXNHWPFEQI-CHWSQXEVSA-N 1 0 331.413 -1.057 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001212363969 786120211 /nfs/dbraw/zinc/12/02/11/786120211.db2.gz WJVGNOXEIFZFES-JHJVBQTASA-N 1 0 347.412 -2.038 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1OC ZINC001212365634 786120137 /nfs/dbraw/zinc/12/01/37/786120137.db2.gz CHCQXLIFTXAPLS-JHJVBQTASA-N 1 0 331.413 -1.011 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1OC ZINC001212365635 786119685 /nfs/dbraw/zinc/11/96/85/786119685.db2.gz CHCQXLIFTXAPLS-YNEHKIRRSA-N 1 0 331.413 -1.011 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@H](OC)C1 ZINC001212365659 786119991 /nfs/dbraw/zinc/11/99/91/786119991.db2.gz 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COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1OC ZINC001212366001 786120362 /nfs/dbraw/zinc/12/03/62/786120362.db2.gz WJVGNOXEIFZFES-YNEHKIRRSA-N 1 0 347.412 -2.038 20 0 EAADRO COCC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212366053 786119726 /nfs/dbraw/zinc/11/97/26/786119726.db2.gz YSJSSJIQFBUQLJ-CHWSQXEVSA-N 1 0 347.412 -2.037 20 0 EAADRO COCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](OC)C1 ZINC001212369872 786120853 /nfs/dbraw/zinc/12/08/53/786120853.db2.gz DPBPXUGBNLXCGY-CHWSQXEVSA-N 1 0 349.453 -1.126 20 0 EAADRO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](OC)C1 ZINC001212369906 786121456 /nfs/dbraw/zinc/12/14/56/786121456.db2.gz FAYMRYKBJIPJKP-CHWSQXEVSA-N 1 0 349.453 -1.126 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212373290 786120898 /nfs/dbraw/zinc/12/08/98/786120898.db2.gz FJUSKSBGMDGZDJ-CHWSQXEVSA-N 1 0 338.412 -1.293 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212373522 786121270 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EAADRO COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)[C@H](OC)C1 ZINC001212397404 786129752 /nfs/dbraw/zinc/12/97/52/786129752.db2.gz KYPKSIIPCGFQJB-BFHYXJOUSA-N 1 0 343.424 -1.009 20 0 EAADRO COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)[C@H](OC)C1 ZINC001212397405 786129887 /nfs/dbraw/zinc/12/98/87/786129887.db2.gz KYPKSIIPCGFQJB-MGPQQGTHSA-N 1 0 343.424 -1.009 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@H](OC)C1 ZINC001212399032 786131336 /nfs/dbraw/zinc/13/13/36/786131336.db2.gz AHNHHMFSBREUSI-BFHYXJOUSA-N 1 0 341.412 -1.119 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@H](OC)C1 ZINC001212399033 786131247 /nfs/dbraw/zinc/13/12/47/786131247.db2.gz AHNHHMFSBREUSI-MGPQQGTHSA-N 1 0 341.412 -1.119 20 0 EAADRO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCCn1ccnn1 ZINC001212399424 786131633 /nfs/dbraw/zinc/13/16/33/786131633.db2.gz LXMBHSDQWBEGTA-ZIAGYGMSSA-N 1 0 341.412 -1.117 20 0 EAADRO CO[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403889 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1 0 349.453 -1.080 20 0 EAADRO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001213863579 793920004 /nfs/dbraw/zinc/92/00/04/793920004.db2.gz ODAGBOWJEUDKOH-YNEHKIRRSA-N 1 0 349.453 -1.080 20 0 EAADRO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001213863913 793918743 /nfs/dbraw/zinc/91/87/43/793918743.db2.gz UPUFIUCUHUOGBR-JHJVBQTASA-N 1 0 349.453 -1.080 20 0 EAADRO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001213863914 793918931 /nfs/dbraw/zinc/91/89/31/793918931.db2.gz UPUFIUCUHUOGBR-YNEHKIRRSA-N 1 0 349.453 -1.080 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1OC ZINC001213868064 793919324 /nfs/dbraw/zinc/91/93/24/793919324.db2.gz KAJNBJJQIGZYSU-JHJVBQTASA-N 1 0 349.453 -1.222 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1OC ZINC001213868065 793919386 /nfs/dbraw/zinc/91/93/86/793919386.db2.gz KAJNBJJQIGZYSU-YNEHKIRRSA-N 1 0 349.453 -1.222 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN2CCCC2=O)[C@H](OC)C1 ZINC001213869721 793918718 /nfs/dbraw/zinc/91/87/18/793918718.db2.gz GRGDBTSDKZHADN-BFHYXJOUSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN2CCCC2=O)[C@H](OC)C1 ZINC001213869722 793919148 /nfs/dbraw/zinc/91/91/48/793919148.db2.gz GRGDBTSDKZHADN-MGPQQGTHSA-N 1 0 343.424 -1.178 20 0 EAADRO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCN1CCCC1=O ZINC001213870277 793919340 /nfs/dbraw/zinc/91/93/40/793919340.db2.gz XTVBXOIQPLBETN-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001213871868 793918959 /nfs/dbraw/zinc/91/89/59/793918959.db2.gz KQFKROFUFWWDCR-BFHYXJOUSA-N 1 0 345.440 -1.027 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001213871869 793919430 /nfs/dbraw/zinc/91/94/30/793919430.db2.gz KQFKROFUFWWDCR-MGPQQGTHSA-N 1 0 345.440 -1.027 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001213874052 793919524 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349.453 -1.080 20 0 EAADRO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](OC)C1)OC ZINC001213874436 793920526 /nfs/dbraw/zinc/92/05/26/793920526.db2.gz ULGAKHOHWXIUPY-IJLUTSLNSA-N 1 0 337.442 -1.224 20 0 EAADRO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](OC)C1)OC ZINC001213874437 793920776 /nfs/dbraw/zinc/92/07/76/793920776.db2.gz ULGAKHOHWXIUPY-QJPTWQEYSA-N 1 0 337.442 -1.224 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1OC ZINC001213874525 785372237 /nfs/dbraw/zinc/37/22/37/785372237.db2.gz VAYJXGLCRWOCBF-IJLUTSLNSA-N 1 0 337.442 -1.488 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1OC ZINC001213874531 785372073 /nfs/dbraw/zinc/37/20/73/785372073.db2.gz VAYJXGLCRWOCBF-QJPTWQEYSA-N 1 0 337.442 -1.488 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1OC ZINC001213874538 793921122 /nfs/dbraw/zinc/92/11/22/793921122.db2.gz VCODOJDVIWFPET-JHJVBQTASA-N 1 0 349.453 -1.222 20 0 EAADRO 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C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001214518164 793935871 /nfs/dbraw/zinc/93/58/71/793935871.db2.gz OOTZVKDVVWXEQS-JFGNBEQYSA-N 1 0 336.396 -1.018 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C ZINC001214518817 793936588 /nfs/dbraw/zinc/93/65/88/793936588.db2.gz WODSWYAQGJFHOT-ZYHUDNBSSA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214541506 793936679 /nfs/dbraw/zinc/93/66/79/793936679.db2.gz CGCQFEIQGQZVJB-GMTAPVOTSA-N 1 0 333.410 -1.034 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214541507 793936245 /nfs/dbraw/zinc/93/62/45/793936245.db2.gz CGCQFEIQGQZVJB-MXWKQRLJSA-N 1 0 333.410 -1.034 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214541517 793936441 /nfs/dbraw/zinc/93/64/41/793936441.db2.gz CTAHVJQCRPGMFS-RAIGVLPGSA-N 1 0 342.396 -1.316 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214541518 793935985 /nfs/dbraw/zinc/93/59/85/793935985.db2.gz CTAHVJQCRPGMFS-RTXFEEFZSA-N 1 0 342.396 -1.316 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214541739 793935978 /nfs/dbraw/zinc/93/59/78/793935978.db2.gz HZYKHKFXQLFSFI-GMTAPVOTSA-N 1 0 348.425 -1.577 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214541740 793935555 /nfs/dbraw/zinc/93/55/55/793935555.db2.gz HZYKHKFXQLFSFI-MXWKQRLJSA-N 1 0 348.425 -1.577 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214541976 793935479 /nfs/dbraw/zinc/93/54/79/793935479.db2.gz MFSCRBHDNYOXSZ-BBBLOLIVSA-N 1 0 341.368 -1.623 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214541977 793936050 /nfs/dbraw/zinc/93/60/50/793936050.db2.gz MFSCRBHDNYOXSZ-OPRDCNLKSA-N 1 0 341.368 -1.623 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214542015 793935996 /nfs/dbraw/zinc/93/59/96/793935996.db2.gz NNFSLEAUKCNOSL-IJLUTSLNSA-N 1 0 342.396 -1.316 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214542016 793935401 /nfs/dbraw/zinc/93/54/01/793935401.db2.gz NNFSLEAUKCNOSL-UTUOFQBUSA-N 1 0 342.396 -1.316 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214542239 793936265 /nfs/dbraw/zinc/93/62/65/793936265.db2.gz RLFYJKFVMJONMY-HLTSFMKQSA-N 1 0 327.341 -2.013 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214542240 793935816 /nfs/dbraw/zinc/93/58/16/793935816.db2.gz RLFYJKFVMJONMY-IWSPIJDZSA-N 1 0 327.341 -2.013 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214542342 793935770 /nfs/dbraw/zinc/93/57/70/793935770.db2.gz SYKCGZOBKDSATD-GMTAPVOTSA-N 1 0 348.363 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214542343 793936451 /nfs/dbraw/zinc/93/64/51/793936451.db2.gz SYKCGZOBKDSATD-MXWKQRLJSA-N 1 0 348.363 -1.040 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214542363 793935532 /nfs/dbraw/zinc/93/55/32/793935532.db2.gz ULWSRUVSZSMUBT-IJLUTSLNSA-N 1 0 342.396 -1.316 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214542364 793935646 /nfs/dbraw/zinc/93/56/46/793935646.db2.gz ULWSRUVSZSMUBT-UTUOFQBUSA-N 1 0 342.396 -1.316 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214543494 793936470 /nfs/dbraw/zinc/93/64/70/793936470.db2.gz AORFVAOQQSKADR-MWLCHTKSSA-N 1 0 349.395 -1.147 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543517 793936513 /nfs/dbraw/zinc/93/65/13/793936513.db2.gz BOHLVWGHPNUZPJ-NXEZZACHSA-N 1 0 337.384 -1.289 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001214543558 793935910 /nfs/dbraw/zinc/93/59/10/793935910.db2.gz DJEVMGKKDBNTRD-GHMZBOCLSA-N 1 0 349.395 -1.193 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543743 793936148 /nfs/dbraw/zinc/93/61/48/793936148.db2.gz LYBJJRFETBUKBO-FRRDWIJNSA-N 1 0 341.412 -1.111 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543744 793936079 /nfs/dbraw/zinc/93/60/79/793936079.db2.gz LYBJJRFETBUKBO-JHJVBQTASA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214543928 793935837 /nfs/dbraw/zinc/93/58/37/793935837.db2.gz UQLUSJDHJXGWII-NXEZZACHSA-N 1 0 330.414 -1.586 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214543978 793936543 /nfs/dbraw/zinc/93/65/43/793936543.db2.gz WWWDACACSUIYRF-GHMZBOCLSA-N 1 0 344.441 -1.243 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543989 793935758 /nfs/dbraw/zinc/93/57/58/793935758.db2.gz XGXJGAVATKHFNJ-KXUCPTDWSA-N 1 0 337.384 -1.291 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543990 793936532 /nfs/dbraw/zinc/93/65/32/793936532.db2.gz XGXJGAVATKHFNJ-OPRDCNLKSA-N 1 0 337.384 -1.291 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214544042 793935724 /nfs/dbraw/zinc/93/57/24/793935724.db2.gz ZIVBGXDQCRIOJW-GHMZBOCLSA-N 1 0 344.441 -1.196 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214548290 793936043 /nfs/dbraw/zinc/93/60/43/793936043.db2.gz JJKQQPGOHSXRBI-BBBLOLIVSA-N 1 0 334.398 -1.920 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214548291 793935661 /nfs/dbraw/zinc/93/56/61/793935661.db2.gz JJKQQPGOHSXRBI-OPRDCNLKSA-N 1 0 334.398 -1.920 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214548578 793936155 /nfs/dbraw/zinc/93/61/55/793936155.db2.gz URYNPDZHTILYBB-GMTAPVOTSA-N 1 0 348.425 -1.529 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214548579 793935854 /nfs/dbraw/zinc/93/58/54/793935854.db2.gz URYNPDZHTILYBB-MXWKQRLJSA-N 1 0 348.425 -1.529 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214552930 793936233 /nfs/dbraw/zinc/93/62/33/793936233.db2.gz DEVNIQQMJRKGHG-MWLCHTKSSA-N 1 0 349.395 -1.147 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214553266 793935389 /nfs/dbraw/zinc/93/53/89/793935389.db2.gz NDUWTYJAHWWGTC-GHMZBOCLSA-N 1 0 344.441 -1.243 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214553267 793935933 /nfs/dbraw/zinc/93/59/33/793935933.db2.gz NDVNRYRJWNWWEF-NXEZZACHSA-N 1 0 337.384 -1.289 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214553310 793935343 /nfs/dbraw/zinc/93/53/43/793935343.db2.gz PAENMRRUQMNYLT-FRRDWIJNSA-N 1 0 341.412 -1.111 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214553311 793936383 /nfs/dbraw/zinc/93/63/83/793936383.db2.gz PAENMRRUQMNYLT-JHJVBQTASA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214555431 793935830 /nfs/dbraw/zinc/93/58/30/793935830.db2.gz FYWXDOQZLCGNOV-NXEZZACHSA-N 1 0 330.414 -1.586 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214555501 793935572 /nfs/dbraw/zinc/93/55/72/793935572.db2.gz IXVVBJCJKSDOLO-GHMZBOCLSA-N 1 0 344.441 -1.196 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)o1 ZINC001214555564 793936006 /nfs/dbraw/zinc/93/60/06/793936006.db2.gz LYFCJUISIRIPCT-MWLCHTKSSA-N 1 0 345.425 -1.094 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214555577 793936339 /nfs/dbraw/zinc/93/63/39/793936339.db2.gz MGFQMULVBYHEDE-GHMZBOCLSA-N 1 0 344.441 -1.243 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214555580 793936085 /nfs/dbraw/zinc/93/60/85/793936085.db2.gz MLCAYHBFAYYFRF-MWLCHTKSSA-N 1 0 349.395 -1.147 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214555686 793937048 /nfs/dbraw/zinc/93/70/48/793937048.db2.gz QQQHNZCRYAWZCT-KXUCPTDWSA-N 1 0 337.384 -1.291 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214555687 793937987 /nfs/dbraw/zinc/93/79/87/793937987.db2.gz QQQHNZCRYAWZCT-OPRDCNLKSA-N 1 0 337.384 -1.291 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)o1 ZINC001214555747 793937950 /nfs/dbraw/zinc/93/79/50/793937950.db2.gz UCMLPGBOYVJCCJ-KHQFGBGNSA-N 1 0 338.368 -1.060 20 0 EAADRO Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)o1 ZINC001214555748 793938101 /nfs/dbraw/zinc/93/81/01/793938101.db2.gz UCMLPGBOYVJCCJ-NQMVMOMDSA-N 1 0 338.368 -1.060 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001214555802 793938049 /nfs/dbraw/zinc/93/80/49/793938049.db2.gz WGRDWZXTBSTEFH-GHMZBOCLSA-N 1 0 349.395 -1.193 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214555857 793937869 /nfs/dbraw/zinc/93/78/69/793937869.db2.gz 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CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)n1 ZINC001214557752 793938167 /nfs/dbraw/zinc/93/81/67/793938167.db2.gz JTMYPPVRENXUTJ-MWLCHTKSSA-N 1 0 337.384 -1.196 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214557876 793937427 /nfs/dbraw/zinc/93/74/27/793937427.db2.gz MWZLIJAHLATSAC-PSASIEDQSA-N 1 0 338.368 -1.187 20 0 EAADRO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214558257 793937936 /nfs/dbraw/zinc/93/79/36/793937936.db2.gz UFKASQIYVVQOPG-NXEZZACHSA-N 1 0 330.414 -1.586 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214558270 793937065 /nfs/dbraw/zinc/93/70/65/793937065.db2.gz UQPWOLLGWNCHJK-GHMZBOCLSA-N 1 0 344.441 -1.196 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001214560104 793937603 /nfs/dbraw/zinc/93/76/03/793937603.db2.gz RKGQGXWKCJPHHT-ZYHUDNBSSA-N 1 0 344.441 -1.103 20 0 EAADRO CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001214560202 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349.391 -1.212 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001214619522 793937343 /nfs/dbraw/zinc/93/73/43/793937343.db2.gz KJZSCMUATZYMLI-GRYCIOLGSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001214619523 793937693 /nfs/dbraw/zinc/93/76/93/793937693.db2.gz KJZSCMUATZYMLI-IJLUTSLNSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001214619584 793937706 /nfs/dbraw/zinc/93/77/06/793937706.db2.gz OAACPQCJERBEEJ-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001214619585 793938083 /nfs/dbraw/zinc/93/80/83/793938083.db2.gz OAACPQCJERBEEJ-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001214619779 793940198 /nfs/dbraw/zinc/94/01/98/793940198.db2.gz XPXMTYUKLHDPNK-GMTAPVOTSA-N 1 0 334.442 -1.503 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001214619780 793939022 /nfs/dbraw/zinc/93/90/22/793939022.db2.gz XPXMTYUKLHDPNK-OUAUKWLOSA-N 1 0 334.442 -1.503 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001214619822 793939836 /nfs/dbraw/zinc/93/98/36/793939836.db2.gz ZKAFKHMBHCPRFD-VXGBXAGGSA-N 1 0 344.441 -1.346 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001214619825 793939328 /nfs/dbraw/zinc/93/93/28/793939328.db2.gz ZLOYOFXCCXHLFL-GMTAPVOTSA-N 1 0 334.442 -1.374 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C)C(N)=O ZINC001214619826 793940176 /nfs/dbraw/zinc/94/01/76/793940176.db2.gz ZLOYOFXCCXHLFL-OUAUKWLOSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)NC(N)=O ZINC001214623410 793939758 /nfs/dbraw/zinc/93/97/58/793939758.db2.gz ALYHTISYESMXFB-KXUCPTDWSA-N 1 0 339.400 -1.508 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)NC(N)=O ZINC001214623414 793939873 /nfs/dbraw/zinc/93/98/73/793939873.db2.gz ALYHTISYESMXFB-OPRDCNLKSA-N 1 0 339.400 -1.508 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]1C ZINC001214623801 793939987 /nfs/dbraw/zinc/93/99/87/793939987.db2.gz JHDZUVDIWPAELP-KXUCPTDWSA-N 1 0 342.400 -1.675 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C ZINC001214623802 793940127 /nfs/dbraw/zinc/94/01/27/793940127.db2.gz JHDZUVDIWPAELP-OPRDCNLKSA-N 1 0 342.400 -1.675 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)NC(N)=O ZINC001214623820 793940285 /nfs/dbraw/zinc/94/02/85/793940285.db2.gz JXQZLYYRZLFAIM-GRYCIOLGSA-N 1 0 340.428 -1.105 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)NC(N)=O ZINC001214623821 793939493 /nfs/dbraw/zinc/93/94/93/793939493.db2.gz JXQZLYYRZLFAIM-IJLUTSLNSA-N 1 0 340.428 -1.105 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)NC(N)=O ZINC001214624008 793938866 /nfs/dbraw/zinc/93/88/66/793938866.db2.gz NDDZQWKVANPLQE-GMTAPVOTSA-N 1 0 334.442 -1.086 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)NC(N)=O ZINC001214624009 793939862 /nfs/dbraw/zinc/93/98/62/793939862.db2.gz NDDZQWKVANPLQE-OUAUKWLOSA-N 1 0 334.442 -1.086 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)NC(N)=O ZINC001214624403 793939235 /nfs/dbraw/zinc/93/92/35/793939235.db2.gz UOAVRFUPNAOSPC-HRDYMLBCSA-N 1 0 328.373 -1.935 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)NC(N)=O ZINC001214624404 793938941 /nfs/dbraw/zinc/93/89/41/793938941.db2.gz UOAVRFUPNAOSPC-IWSPIJDZSA-N 1 0 328.373 -1.935 20 0 EAADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)NC(N)=O ZINC001214625800 793940334 /nfs/dbraw/zinc/94/03/34/793940334.db2.gz XRKPSKIOBGTZFC-GMTAPVOTSA-N 1 0 349.457 -1.581 20 0 EAADRO C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)NC(N)=O ZINC001214625801 793939716 /nfs/dbraw/zinc/93/97/16/793939716.db2.gz XRKPSKIOBGTZFC-OUAUKWLOSA-N 1 0 349.457 -1.581 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C ZINC001214628232 793939091 /nfs/dbraw/zinc/93/90/91/793939091.db2.gz XGYAAYSMZJPDPV-NQBHXWOUSA-N 1 0 348.407 -1.055 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C ZINC001214628233 793939164 /nfs/dbraw/zinc/93/91/64/793939164.db2.gz XGYAAYSMZJPDPV-NTZNESFSSA-N 1 0 348.407 -1.055 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214630388 793939810 /nfs/dbraw/zinc/93/98/10/793939810.db2.gz WXGYYLNFKIONEX-MWLCHTKSSA-N 1 0 349.395 -1.212 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC001214636908 793940055 /nfs/dbraw/zinc/94/00/55/793940055.db2.gz WTTDZKVGAQEJFH-GHMZBOCLSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214640298 793940228 /nfs/dbraw/zinc/94/02/28/793940228.db2.gz BBLKFMLJEQAQMZ-DGCLKSJQSA-N 1 0 335.412 -1.022 20 0 EAADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640322 793939973 /nfs/dbraw/zinc/93/99/73/793939973.db2.gz CJXDEUFJIDETDL-VXGBXAGGSA-N 1 0 344.441 -1.066 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640336 793940239 /nfs/dbraw/zinc/94/02/39/793940239.db2.gz CVRACLJKIGFIKQ-GHMZBOCLSA-N 1 0 345.429 -1.951 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001214640362 793939579 /nfs/dbraw/zinc/93/95/79/793939579.db2.gz DUZRXIFLPCDLEF-NXEZZACHSA-N 1 0 334.340 -1.264 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640388 793939667 /nfs/dbraw/zinc/93/96/67/793939667.db2.gz FKTMOJMFFSHAPU-FRRDWIJNSA-N 1 0 342.400 -1.867 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640389 793939120 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20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214640949 793939426 /nfs/dbraw/zinc/93/94/26/793939426.db2.gz QQRSABUCPULWJL-GHMZBOCLSA-N 1 0 330.414 -1.456 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214640950 791455003 /nfs/dbraw/zinc/45/50/03/791455003.db2.gz QRTBEXDHQOFYKT-NXEZZACHSA-N 1 0 331.402 -2.341 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)CS(C)(=O)=O ZINC001214640993 793939947 /nfs/dbraw/zinc/93/99/47/793939947.db2.gz RQWILQIVWLRANM-IJLUTSLNSA-N 1 0 344.441 -1.210 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)CS(C)(=O)=O ZINC001214640995 793938762 /nfs/dbraw/zinc/93/87/62/793938762.db2.gz RQWILQIVWLRANM-QJPTWQEYSA-N 1 0 344.441 -1.210 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641293 793940142 /nfs/dbraw/zinc/94/01/42/793940142.db2.gz WYFZRFFONUEJMP-KXUCPTDWSA-N 1 0 338.372 -2.046 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641294 793939509 /nfs/dbraw/zinc/93/95/09/793939509.db2.gz WYFZRFFONUEJMP-OPRDCNLKSA-N 1 0 338.372 -2.046 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)ncn1 ZINC001214641346 793939793 /nfs/dbraw/zinc/93/97/93/793939793.db2.gz YMEWFTGIQGRNNH-PSASIEDQSA-N 1 0 336.352 -1.270 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214643058 793939474 /nfs/dbraw/zinc/93/94/74/793939474.db2.gz CBSKWSUQHOZNAT-RKDXNWHRSA-N 1 0 349.317 -1.212 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214643104 793938824 /nfs/dbraw/zinc/93/88/24/793938824.db2.gz DOKOCDRZMGPASU-VXGBXAGGSA-N 1 0 339.400 -1.738 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214643644 793938958 /nfs/dbraw/zinc/93/89/58/793938958.db2.gz YMLBBVHCJHQXGP-NXEZZACHSA-N 1 0 338.372 -2.045 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214643656 793940159 /nfs/dbraw/zinc/94/01/59/793940159.db2.gz YYXCLQAQYAVYOO-GHMZBOCLSA-N 1 0 345.367 -1.462 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214646230 793939273 /nfs/dbraw/zinc/93/92/73/793939273.db2.gz MSCISKSLLWWDOU-VXGBXAGGSA-N 1 0 339.400 -1.738 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214655207 793939346 /nfs/dbraw/zinc/93/93/46/793939346.db2.gz DKXARHVVRGVYRD-GWOFURMSSA-N 1 0 339.396 -1.468 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001214665396 793939402 /nfs/dbraw/zinc/93/94/02/793939402.db2.gz AFYXHHGFLUBNRO-KXUCPTDWSA-N 1 0 337.384 -2.052 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001214665397 793940314 /nfs/dbraw/zinc/94/03/14/793940314.db2.gz AFYXHHGFLUBNRO-OPRDCNLKSA-N 1 0 337.384 -2.052 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001214665446 793940071 /nfs/dbraw/zinc/94/00/71/793940071.db2.gz CDBPOFDNXGXNTQ-GMTAPVOTSA-N 1 0 340.384 -2.179 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001214665452 793939542 /nfs/dbraw/zinc/93/95/42/793939542.db2.gz CDBPOFDNXGXNTQ-OUAUKWLOSA-N 1 0 340.384 -2.179 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CCOCCO ZINC001214665815 793939335 /nfs/dbraw/zinc/93/93/35/793939335.db2.gz KIROUVZOCNRXIS-GHMZBOCLSA-N 1 0 340.384 -2.178 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001214665988 793940098 /nfs/dbraw/zinc/94/00/98/793940098.db2.gz OQKOLWXCQSHGDC-GRYCIOLGSA-N 1 0 338.412 -1.026 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001214665989 793940264 /nfs/dbraw/zinc/94/02/64/793940264.db2.gz OQKOLWXCQSHGDC-IJLUTSLNSA-N 1 0 338.412 -1.026 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001214666192 793939738 /nfs/dbraw/zinc/93/97/38/793939738.db2.gz URBYHKYSHNWJPW-NXEZZACHSA-N 1 0 337.384 -2.050 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214666212 793940219 /nfs/dbraw/zinc/94/02/19/793940219.db2.gz VQRXDHKYHCNSRE-NXEZZACHSA-N 1 0 337.384 -2.098 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214666278 793939632 /nfs/dbraw/zinc/93/96/32/793939632.db2.gz ZLGDLRAOQLNIGF-MWLCHTKSSA-N 1 0 349.395 -1.908 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C ZINC001214683524 793939595 /nfs/dbraw/zinc/93/95/95/793939595.db2.gz AKLWGZPVNLZRSI-GRYCIOLGSA-N 1 0 348.469 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C ZINC001214683525 793940341 /nfs/dbraw/zinc/94/03/41/793940341.db2.gz AKLWGZPVNLZRSI-IJLUTSLNSA-N 1 0 348.469 -1.113 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001214683611 793939189 /nfs/dbraw/zinc/93/91/89/793939189.db2.gz FBTBVYNGAAJJMW-GMTAPVOTSA-N 1 0 334.442 -1.503 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001214683612 793939366 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VDEBIXPCMDMAKX-JHJVBQTASA-N 1 0 338.412 -1.134 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214689140 793939253 /nfs/dbraw/zinc/93/92/53/793939253.db2.gz XUTIWRCNPNNBPJ-FRRDWIJNSA-N 1 0 331.413 -1.417 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214689141 793939107 /nfs/dbraw/zinc/93/91/07/793939107.db2.gz XUTIWRCNPNNBPJ-JHJVBQTASA-N 1 0 331.413 -1.417 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214692839 793939524 /nfs/dbraw/zinc/93/95/24/793939524.db2.gz LLQAGTQHIWKDHI-KXUCPTDWSA-N 1 0 327.385 -1.468 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214692840 793940107 /nfs/dbraw/zinc/94/01/07/793940107.db2.gz LLQAGTQHIWKDHI-OPRDCNLKSA-N 1 0 327.385 -1.468 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214692882 793939728 /nfs/dbraw/zinc/93/97/28/793939728.db2.gz MUYDRIYTFSUGDY-GMTAPVOTSA-N 1 0 341.412 -1.207 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214692883 793939308 /nfs/dbraw/zinc/93/93/08/793939308.db2.gz MUYDRIYTFSUGDY-OUAUKWLOSA-N 1 0 341.412 -1.207 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001214693082 793940248 /nfs/dbraw/zinc/94/02/48/793940248.db2.gz SHUADNRJBZRBAS-GMTAPVOTSA-N 1 0 338.412 -1.040 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001214693083 793940026 /nfs/dbraw/zinc/94/00/26/793940026.db2.gz SHUADNRJBZRBAS-OUAUKWLOSA-N 1 0 338.412 -1.040 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214695036 793940293 /nfs/dbraw/zinc/94/02/93/793940293.db2.gz AANGIGJUCATOTM-GRYCIOLGSA-N 1 0 349.453 -1.381 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214695038 793939218 /nfs/dbraw/zinc/93/92/18/793939218.db2.gz AANGIGJUCATOTM-IJLUTSLNSA-N 1 0 349.453 -1.381 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214695713 793939911 /nfs/dbraw/zinc/93/99/11/793939911.db2.gz JUDHBGBFJOUBRA-KXUCPTDWSA-N 1 0 343.384 -2.231 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214695727 793939434 /nfs/dbraw/zinc/93/94/34/793939434.db2.gz JUDHBGBFJOUBRA-OPRDCNLKSA-N 1 0 343.384 -2.231 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001214696133 793939784 /nfs/dbraw/zinc/93/97/84/793939784.db2.gz PJODXXWTLFNUDW-GRYCIOLGSA-N 1 0 328.413 -1.338 20 0 EAADRO COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001214696134 793939680 /nfs/dbraw/zinc/93/96/80/793939680.db2.gz PJODXXWTLFNUDW-IJLUTSLNSA-N 1 0 328.413 -1.338 20 0 EAADRO COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001214696412 793940184 /nfs/dbraw/zinc/94/01/84/793940184.db2.gz SDWIRHSWVXMSDY-FRRDWIJNSA-N 1 0 340.424 -1.194 20 0 EAADRO 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/nfs/dbraw/zinc/94/10/57/793941057.db2.gz NJSIBNHNASMWNZ-ZYHUDNBSSA-N 1 0 331.438 -1.008 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001214703455 793941828 /nfs/dbraw/zinc/94/18/28/793941828.db2.gz NVWFMUPCVGSVMU-ZYHUDNBSSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214703610 793941759 /nfs/dbraw/zinc/94/17/59/793941759.db2.gz RBWRZEVMTPBRDY-MWLCHTKSSA-N 1 0 338.451 -1.488 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001214703696 793941998 /nfs/dbraw/zinc/94/19/98/793941998.db2.gz VSIKZCUYNHRAAA-PSASIEDQSA-N 1 0 346.409 -2.077 20 0 EAADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214703838 793940728 /nfs/dbraw/zinc/94/07/28/793940728.db2.gz XKHTWCKHDMETJN-VXNVDRBHSA-N 1 0 332.382 -2.338 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001214707483 793940958 /nfs/dbraw/zinc/94/09/58/793940958.db2.gz ODTCRGWEEJCPBX-KHQFGBGNSA-N 1 0 346.409 -1.949 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001214707484 793941306 /nfs/dbraw/zinc/94/13/06/793941306.db2.gz ODTCRGWEEJCPBX-NQMVMOMDSA-N 1 0 346.409 -1.949 20 0 EAADRO C[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214713609 793940927 /nfs/dbraw/zinc/94/09/27/793940927.db2.gz QALBSOKHGNUTIG-PSASIEDQSA-N 1 0 346.351 -1.631 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214720954 793941127 /nfs/dbraw/zinc/94/11/27/793941127.db2.gz FHUVUXWNJFBFJT-GHMZBOCLSA-N 1 0 337.384 -1.440 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214721054 793940819 /nfs/dbraw/zinc/94/08/19/793940819.db2.gz JHJLEOSBUVGQQM-VXGBXAGGSA-N 1 0 344.441 -1.394 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214721073 793940563 /nfs/dbraw/zinc/94/05/63/793940563.db2.gz JZOQXMBIZZAJLX-CHWSQXEVSA-N 1 0 338.412 -1.133 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214721179 793940809 /nfs/dbraw/zinc/94/08/09/793940809.db2.gz OFGTUIPHOAUERR-HZSPNIEDSA-N 1 0 341.412 -1.262 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214721180 793942089 /nfs/dbraw/zinc/94/20/89/793942089.db2.gz OFGTUIPHOAUERR-MGPQQGTHSA-N 1 0 341.412 -1.262 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214721222 793940948 /nfs/dbraw/zinc/94/09/48/793940948.db2.gz QAMNCAOWAXVXSB-TZMCWYRMSA-N 1 0 338.412 -1.133 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214721359 793941869 /nfs/dbraw/zinc/94/18/69/793941869.db2.gz RDYISVCFWUKJBI-ZYHUDNBSSA-N 1 0 349.395 -1.297 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214721619 793940585 /nfs/dbraw/zinc/94/05/85/793940585.db2.gz YABDYLXIHVDZEZ-CHWSQXEVSA-N 1 0 338.412 -1.133 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214723082 793941821 /nfs/dbraw/zinc/94/18/21/793941821.db2.gz ANVPGWYCJKNBLB-GHMZBOCLSA-N 1 0 330.414 -1.736 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001214723449 793941443 /nfs/dbraw/zinc/94/14/43/793941443.db2.gz SSXIVQYSCONHJZ-VXGBXAGGSA-N 1 0 349.395 -1.344 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214723537 793941755 /nfs/dbraw/zinc/94/17/55/793941755.db2.gz XRXARFAVQCRIPZ-VXGBXAGGSA-N 1 0 344.441 -1.346 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001214725435 793940761 /nfs/dbraw/zinc/94/07/61/793940761.db2.gz IGDXJTRNKNBRAV-HZSPNIEDSA-N 1 0 333.396 -1.028 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001214725436 793941861 /nfs/dbraw/zinc/94/18/61/793941861.db2.gz IGDXJTRNKNBRAV-MGPQQGTHSA-N 1 0 333.396 -1.028 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214725519 793941945 /nfs/dbraw/zinc/94/19/45/793941945.db2.gz MQTPWMZLUPTGDL-GMTAPVOTSA-N 1 0 337.384 -1.441 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214725520 793941589 /nfs/dbraw/zinc/94/15/89/793941589.db2.gz MQTPWMZLUPTGDL-OUAUKWLOSA-N 1 0 337.384 -1.441 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214744041 793941975 /nfs/dbraw/zinc/94/19/75/793941975.db2.gz ZXTMESLZVDCCQP-ZYHUDNBSSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214744964 793940709 /nfs/dbraw/zinc/94/07/09/793940709.db2.gz CAEGTTSJSRBQIN-ZYHUDNBSSA-N 1 0 336.396 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214757139 793941934 /nfs/dbraw/zinc/94/19/34/793941934.db2.gz CFIAIROOLZMMIH-GRYCIOLGSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214757140 793941536 /nfs/dbraw/zinc/94/15/36/793941536.db2.gz CFIAIROOLZMMIH-IJLUTSLNSA-N 1 0 331.438 -1.054 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001214757523 793940689 /nfs/dbraw/zinc/94/06/89/793940689.db2.gz ONZZQJMURUDXII-FRRDWIJNSA-N 1 0 340.424 -1.336 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001214757524 793941647 /nfs/dbraw/zinc/94/16/47/793941647.db2.gz ONZZQJMURUDXII-JHJVBQTASA-N 1 0 340.424 -1.336 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001214757533 793940870 /nfs/dbraw/zinc/94/08/70/793940870.db2.gz OTVALHUWJSXHBN-GMTAPVOTSA-N 1 0 339.396 -1.643 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001214757534 793940910 /nfs/dbraw/zinc/94/09/10/793940910.db2.gz OTVALHUWJSXHBN-OUAUKWLOSA-N 1 0 339.396 -1.643 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214757877 793941492 /nfs/dbraw/zinc/94/14/92/793941492.db2.gz ZMWYCAZNCKNSPU-KXUCPTDWSA-N 1 0 325.369 -1.904 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214757878 793941107 /nfs/dbraw/zinc/94/11/07/793941107.db2.gz ZMWYCAZNCKNSPU-OPRDCNLKSA-N 1 0 325.369 -1.904 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001214759582 793941797 /nfs/dbraw/zinc/94/17/97/793941797.db2.gz BLJBVZJYLAEVDF-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001214759583 793941432 /nfs/dbraw/zinc/94/14/32/793941432.db2.gz BLUYENBOTJEVNO-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1=O ZINC001214759586 793941576 /nfs/dbraw/zinc/94/15/76/793941576.db2.gz BLUYENBOTJEVNO-OUAUKWLOSA-N 1 0 339.396 -1.514 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C ZINC001214759642 793941090 /nfs/dbraw/zinc/94/10/90/793941090.db2.gz CKCPVGLPXSACNE-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO COCC(=O)NCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001214759646 793941659 /nfs/dbraw/zinc/94/16/59/793941659.db2.gz CLHKYDJVCQRCPT-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001214759683 793941003 /nfs/dbraw/zinc/94/10/03/793941003.db2.gz CYIZWQVQJZUMAB-VXGBXAGGSA-N 1 0 348.469 -1.113 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C ZINC001214759729 793941666 /nfs/dbraw/zinc/94/16/66/793941666.db2.gz CYSTVJNRFMHUBT-GHMZBOCLSA-N 1 0 334.442 -1.502 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001214759900 793940898 /nfs/dbraw/zinc/94/08/98/793940898.db2.gz JZCNDYZCSRUMQY-GRYCIOLGSA-N 1 0 337.442 -1.631 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001214759901 793941426 /nfs/dbraw/zinc/94/14/26/793941426.db2.gz JZCNDYZCSRUMQY-IJLUTSLNSA-N 1 0 337.442 -1.631 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214759904 793940742 /nfs/dbraw/zinc/94/07/42/793940742.db2.gz KGVYXQRVBNAHNS-VXGBXAGGSA-N 1 0 337.442 -1.629 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C ZINC001214759944 793941239 /nfs/dbraw/zinc/94/12/39/793941239.db2.gz LSXMWIOGHFOACR-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214759954 793941508 /nfs/dbraw/zinc/94/15/08/793941508.db2.gz MADCIPGPZNBBEX-GRYCIOLGSA-N 1 0 346.453 -1.550 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214759955 793941382 /nfs/dbraw/zinc/94/13/82/793941382.db2.gz MADCIPGPZNBBEX-IJLUTSLNSA-N 1 0 346.453 -1.550 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001214760074 793941709 /nfs/dbraw/zinc/94/17/09/793941709.db2.gz QCJAREZHFBSFMU-ZYHUDNBSSA-N 1 0 346.453 -1.359 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001214760094 793941679 /nfs/dbraw/zinc/94/16/79/793941679.db2.gz QUQFDWMYXZQYPX-GRYCIOLGSA-N 1 0 346.453 -1.359 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001214760095 793940889 /nfs/dbraw/zinc/94/08/89/793940889.db2.gz QUQFDWMYXZQYPX-IJLUTSLNSA-N 1 0 346.453 -1.359 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001214760116 793941699 /nfs/dbraw/zinc/94/16/99/793941699.db2.gz RHPUMBIBEXFGSM-GMTAPVOTSA-N 1 0 332.426 -1.749 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001214760117 793941039 /nfs/dbraw/zinc/94/10/39/793941039.db2.gz RHPUMBIBEXFGSM-OUAUKWLOSA-N 1 0 332.426 -1.749 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214760168 793941525 /nfs/dbraw/zinc/94/15/25/793941525.db2.gz UDESAUXJSZHDPU-RKDXNWHRSA-N 1 0 349.413 -2.443 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001214760200 793941075 /nfs/dbraw/zinc/94/10/75/793941075.db2.gz VPJPDNRDYWEZJS-ZYHUDNBSSA-N 1 0 344.441 -1.309 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001214760207 793940985 /nfs/dbraw/zinc/94/09/85/793940985.db2.gz WCMSNSIRWMGFGA-GHMZBOCLSA-N 1 0 334.442 -1.550 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001214761265 793942846 /nfs/dbraw/zinc/94/28/46/793942846.db2.gz BIMSCNDWOBRPHI-GRYCIOLGSA-N 1 0 337.442 -1.631 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001214761266 793943416 /nfs/dbraw/zinc/94/34/16/793943416.db2.gz BIMSCNDWOBRPHI-IJLUTSLNSA-N 1 0 337.442 -1.631 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C)C(N)=O ZINC001214761286 793942810 /nfs/dbraw/zinc/94/28/10/793942810.db2.gz CNNHWJHXJWNYDX-GMTAPVOTSA-N 1 0 334.442 -1.374 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C)C(N)=O ZINC001214761287 793943451 /nfs/dbraw/zinc/94/34/51/793943451.db2.gz CNNHWJHXJWNYDX-OUAUKWLOSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001214761291 793943538 /nfs/dbraw/zinc/94/35/38/793943538.db2.gz CSFLZTPJKOFQQO-GMTAPVOTSA-N 1 0 332.426 -1.749 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001214761292 793943611 /nfs/dbraw/zinc/94/36/11/793943611.db2.gz CSFLZTPJKOFQQO-OUAUKWLOSA-N 1 0 332.426 -1.749 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001214761320 793943061 /nfs/dbraw/zinc/94/30/61/793943061.db2.gz DQXMNYQMYBBMSI-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001214761330 793942753 /nfs/dbraw/zinc/94/27/53/793942753.db2.gz DTKOZWITCRKWRM-VXGBXAGGSA-N 1 0 344.441 -1.346 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001214761353 793943788 /nfs/dbraw/zinc/94/37/88/793943788.db2.gz DYHOYGQLUXUNLI-VXGBXAGGSA-N 1 0 348.469 -1.113 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214761547 793943373 /nfs/dbraw/zinc/94/33/73/793943373.db2.gz FMLCMSNTWFUCBY-RKDXNWHRSA-N 1 0 349.413 -2.443 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001214761548 793943513 /nfs/dbraw/zinc/94/35/13/793943513.db2.gz FMXSMPDBQKWFFB-GMTAPVOTSA-N 1 0 334.442 -1.503 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001214761549 793943332 /nfs/dbraw/zinc/94/33/32/793943332.db2.gz FMXSMPDBQKWFFB-OUAUKWLOSA-N 1 0 334.442 -1.503 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001214761556 793942583 /nfs/dbraw/zinc/94/25/83/793942583.db2.gz FQJSDENYJPTBGN-ZYHUDNBSSA-N 1 0 344.441 -1.309 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001214761562 793942928 /nfs/dbraw/zinc/94/29/28/793942928.db2.gz GAUZKOHEYATQGP-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214761625 793943488 /nfs/dbraw/zinc/94/34/88/793943488.db2.gz INNQFNDJEAHRDT-ZYHUDNBSSA-N 1 0 346.453 -1.359 20 0 EAADRO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 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C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001214763691 793943054 /nfs/dbraw/zinc/94/30/54/793943054.db2.gz GIFVRKTUFFNTOB-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001214763692 793943149 /nfs/dbraw/zinc/94/31/49/793943149.db2.gz GIFVRKTUFFNTOB-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214763717 793942984 /nfs/dbraw/zinc/94/29/84/793942984.db2.gz GMTOMLKLOFKLLM-GHMZBOCLSA-N 1 0 334.442 -1.598 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001214763765 793943422 /nfs/dbraw/zinc/94/34/22/793943422.db2.gz HPHVDYROGLTPMH-GMTAPVOTSA-N 1 0 334.442 -1.551 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001214763768 793943639 /nfs/dbraw/zinc/94/36/39/793943639.db2.gz HPHVDYROGLTPMH-OUAUKWLOSA-N 1 0 334.442 -1.551 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C)C(=O)N(C)C ZINC001214763786 793943127 /nfs/dbraw/zinc/94/31/27/793943127.db2.gz HYUJYDFOBLTNHV-GRYCIOLGSA-N 1 0 348.469 -1.161 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C)C(=O)N(C)C ZINC001214763787 793943601 /nfs/dbraw/zinc/94/36/01/793943601.db2.gz HYUJYDFOBLTNHV-IJLUTSLNSA-N 1 0 348.469 -1.161 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001214763802 793943531 /nfs/dbraw/zinc/94/35/31/793943531.db2.gz IJWKFFSEQRCAMS-VXGBXAGGSA-N 1 0 344.441 -1.346 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001214763830 793943318 /nfs/dbraw/zinc/94/33/18/793943318.db2.gz JEBYPSUEGXDMSR-VXGBXAGGSA-N 1 0 348.469 -1.161 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001214763908 793943627 /nfs/dbraw/zinc/94/36/27/793943627.db2.gz LRBMAKKAASNVJD-VXGBXAGGSA-N 1 0 346.453 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214763930 793942572 /nfs/dbraw/zinc/94/25/72/793942572.db2.gz MSBCLPLSYZCPDD-RKDXNWHRSA-N 1 0 349.413 -2.491 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001214763967 793943476 /nfs/dbraw/zinc/94/34/76/793943476.db2.gz NXTXGJCSTCIVJZ-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+]CCOCCO ZINC001214763991 793942854 /nfs/dbraw/zinc/94/28/54/793942854.db2.gz OXCXEPLEXVCSCU-VXGBXAGGSA-N 1 0 337.442 -1.629 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001214764130 793943826 /nfs/dbraw/zinc/94/38/26/793943826.db2.gz QTDJWDRZHAKTBB-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001214764131 793943522 /nfs/dbraw/zinc/94/35/22/793943522.db2.gz QTDJWDRZHAKTBB-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214764149 793943170 /nfs/dbraw/zinc/94/31/70/793943170.db2.gz 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CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001214765960 793943748 /nfs/dbraw/zinc/94/37/48/793943748.db2.gz GNBRKJIQSQHLDJ-GMTAPVOTSA-N 1 0 334.442 -1.422 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001214765961 793943117 /nfs/dbraw/zinc/94/31/17/793943117.db2.gz GNBRKJIQSQHLDJ-OUAUKWLOSA-N 1 0 334.442 -1.422 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001214766008 793943719 /nfs/dbraw/zinc/94/37/19/793943719.db2.gz IVTAIAMOLJGRCE-GRYCIOLGSA-N 1 0 346.453 -1.455 20 0 EAADRO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001214766009 793943344 /nfs/dbraw/zinc/94/33/44/793943344.db2.gz IVTAIAMOLJGRCE-IJLUTSLNSA-N 1 0 346.453 -1.455 20 0 EAADRO CC(C)C(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214766024 793942649 /nfs/dbraw/zinc/94/26/49/793942649.db2.gz KAFUXGAJMCKYPV-GHMZBOCLSA-N 1 0 341.412 -1.268 20 0 EAADRO 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C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214878705 793946288 /nfs/dbraw/zinc/94/62/88/793946288.db2.gz BSUVFRMYXZQCKM-GJMOJQLCSA-N 1 0 340.340 -2.784 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214878912 793945479 /nfs/dbraw/zinc/94/54/79/793945479.db2.gz IPYRGGKAPHJJOD-KXUCPTDWSA-N 1 0 346.409 -1.934 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001214878925 793946458 /nfs/dbraw/zinc/94/64/58/793946458.db2.gz JGEVYUBVPKLKHY-OUAUKWLOSA-N 1 0 339.396 -1.454 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214879022 793946202 /nfs/dbraw/zinc/94/62/02/793946202.db2.gz MFNRUKWQGAHOOZ-DVVUODLYSA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214879094 793946536 /nfs/dbraw/zinc/94/65/36/793946536.db2.gz OUTAFFPKLCQKHO-KXUCPTDWSA-N 1 0 325.369 -1.891 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001214879103 793946799 /nfs/dbraw/zinc/94/67/99/793946799.db2.gz PBVZSTGWDLAVCQ-KXUCPTDWSA-N 1 0 325.369 -1.843 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001214879214 793945988 /nfs/dbraw/zinc/94/59/88/793945988.db2.gz RPEZHNHUALCQSX-OUAUKWLOSA-N 1 0 339.396 -1.501 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001214879400 793946724 /nfs/dbraw/zinc/94/67/24/793946724.db2.gz VGNBBEYCGMLBSN-CHWFTXMASA-N 1 0 328.369 -1.972 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001214879401 793945584 /nfs/dbraw/zinc/94/55/84/793945584.db2.gz VGNBBEYCGMLBSN-VPOLOUISSA-N 1 0 328.369 -1.972 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]CCOCCO ZINC001214879406 793946076 /nfs/dbraw/zinc/94/60/76/793946076.db2.gz VOLHNFZDNFAMKK-OUAUKWLOSA-N 1 0 328.369 -1.970 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001214879424 793946912 /nfs/dbraw/zinc/94/69/12/793946912.db2.gz WQGWBZTYPUFXNF-OUAUKWLOSA-N 1 0 339.396 -1.453 20 0 EAADRO COCCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001214879454 793945640 /nfs/dbraw/zinc/94/56/40/793945640.db2.gz YGOXZBQKOUJNLA-GRYCIOLGSA-N 1 0 342.396 -1.316 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214884533 793946228 /nfs/dbraw/zinc/94/62/28/793946228.db2.gz DHBQKDOGHXSNEV-PSASIEDQSA-N 1 0 336.352 -1.975 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214884651 793946741 /nfs/dbraw/zinc/94/67/41/793946741.db2.gz KBJQZWDVXKHANZ-XQHKEYJVSA-N 1 0 349.453 -1.224 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214884701 793945783 /nfs/dbraw/zinc/94/57/83/793945783.db2.gz NECNMOCXUVRSQP-KLBPJQLPSA-N 1 0 328.369 -1.578 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C ZINC001214884719 793946880 /nfs/dbraw/zinc/94/68/80/793946880.db2.gz OBGPBGDGUNDIKS-XZUYRWCXSA-N 1 0 342.396 -1.318 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214884734 793945681 /nfs/dbraw/zinc/94/56/81/793945681.db2.gz OYZFRDYWEDJTSN-ZYHUDNBSSA-N 1 0 342.421 -1.125 20 0 EAADRO CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC1=O ZINC001214888814 793945746 /nfs/dbraw/zinc/94/57/46/793945746.db2.gz CMWXZFHJFRGGAG-FCHSOHFDSA-N 1 0 339.396 -1.466 20 0 EAADRO CC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCNC1=O ZINC001214888815 793946678 /nfs/dbraw/zinc/94/66/78/793946678.db2.gz CMWXZFHJFRGGAG-IQMDTDKHSA-N 1 0 339.396 -1.466 20 0 EAADRO Cc1cc(OCC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001214896811 793946247 /nfs/dbraw/zinc/94/62/47/793946247.db2.gz OIXWSOSGGBWFRW-PSASIEDQSA-N 1 0 339.352 -1.007 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214900228 793946427 /nfs/dbraw/zinc/94/64/27/793946427.db2.gz KKOBLKWAEXHEQN-NXEZZACHSA-N 1 0 341.412 -1.220 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214900835 793946273 /nfs/dbraw/zinc/94/62/73/793946273.db2.gz XNKDXPPBQZLYKA-RKDXNWHRSA-N 1 0 327.385 -1.610 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214900844 793945560 /nfs/dbraw/zinc/94/55/60/793945560.db2.gz YDJRPRGKJRYQAA-GHMZBOCLSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214902142 793946899 /nfs/dbraw/zinc/94/68/99/793946899.db2.gz CHQQPYFSYAEZNQ-KXUCPTDWSA-N 1 0 325.369 -1.856 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214902143 793945800 /nfs/dbraw/zinc/94/58/00/793945800.db2.gz CHQQPYFSYAEZNQ-OPRDCNLKSA-N 1 0 325.369 -1.856 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001214902188 793946086 /nfs/dbraw/zinc/94/60/86/793946086.db2.gz DNOFHGBVGNENRK-HRDYMLBCSA-N 1 0 327.385 -1.482 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001214902189 793946240 /nfs/dbraw/zinc/94/62/40/793946240.db2.gz DNOFHGBVGNENRK-IWSPIJDZSA-N 1 0 327.385 -1.482 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214902212 793946284 /nfs/dbraw/zinc/94/62/84/793946284.db2.gz FIUAZZRAARRBRV-GHMZBOCLSA-N 1 0 348.469 -1.126 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214902348 793946652 /nfs/dbraw/zinc/94/66/52/793946652.db2.gz LKUPQXNDUVIKJU-FRRDWIJNSA-N 1 0 345.440 -1.042 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214902349 793946141 /nfs/dbraw/zinc/94/61/41/793946141.db2.gz LKUPQXNDUVIKJU-JHJVBQTASA-N 1 0 345.440 -1.042 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214902381 793946840 /nfs/dbraw/zinc/94/68/40/793946840.db2.gz MOZBTKADVWVKFS-GRYCIOLGSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214902382 793946827 /nfs/dbraw/zinc/94/68/27/793946827.db2.gz MOZBTKADVWVKFS-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C ZINC001214902470 793945854 /nfs/dbraw/zinc/94/58/54/793945854.db2.gz QLGXMNNRPSSPCJ-GMTAPVOTSA-N 1 0 339.396 -1.595 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C ZINC001214902471 793947832 /nfs/dbraw/zinc/94/78/32/793947832.db2.gz QLGXMNNRPSSPCJ-OUAUKWLOSA-N 1 0 339.396 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214902474 793948418 /nfs/dbraw/zinc/94/84/18/793948418.db2.gz QNFSBPLTMYYRNQ-NXEZZACHSA-N 1 0 334.442 -1.516 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214902509 793948056 /nfs/dbraw/zinc/94/80/56/793948056.db2.gz RZWCBPUBCHNRTJ-KXUCPTDWSA-N 1 0 341.412 -1.222 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214902510 793947680 /nfs/dbraw/zinc/94/76/80/793947680.db2.gz RZWCBPUBCHNRTJ-OPRDCNLKSA-N 1 0 341.412 -1.222 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214904766 793948109 /nfs/dbraw/zinc/94/81/09/793948109.db2.gz INWKNQXZJUTWRT-GRYCIOLGSA-N 1 0 346.453 -1.502 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214904767 793948449 /nfs/dbraw/zinc/94/84/49/793948449.db2.gz INWKNQXZJUTWRT-IJLUTSLNSA-N 1 0 346.453 -1.502 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C ZINC001214909211 793947991 /nfs/dbraw/zinc/94/79/91/793947991.db2.gz KNIUGUVFFJVJRF-PSASIEDQSA-N 1 0 336.352 -1.312 20 0 EAADRO Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)cn1C ZINC001214909260 793948265 /nfs/dbraw/zinc/94/82/65/793948265.db2.gz NAOQAODNALKAAQ-BXKDBHETSA-N 1 0 349.391 -1.061 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C)C(=O)NC(N)=O ZINC001214910920 793947396 /nfs/dbraw/zinc/94/73/96/793947396.db2.gz FVZNQXLFUAAYMO-KHQFGBGNSA-N 1 0 336.352 -1.184 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C)C(=O)NC(N)=O ZINC001214910921 793947743 /nfs/dbraw/zinc/94/77/43/793947743.db2.gz FVZNQXLFUAAYMO-NQMVMOMDSA-N 1 0 336.352 -1.184 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214910959 793947436 /nfs/dbraw/zinc/94/74/36/793947436.db2.gz IBEVWPVPEVWXQO-MWLCHTKSSA-N 1 0 343.409 -1.219 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1C ZINC001214910974 793947486 /nfs/dbraw/zinc/94/74/86/793947486.db2.gz IQZVYUOMDKENMC-VXNVDRBHSA-N 1 0 338.368 -1.071 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214921398 793947543 /nfs/dbraw/zinc/94/75/43/793947543.db2.gz FBKBODKCMNSXQN-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214921399 793948321 /nfs/dbraw/zinc/94/83/21/793948321.db2.gz FBKBODKCMNSXQN-OUAUKWLOSA-N 1 0 339.396 -1.514 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C ZINC001214921425 793948360 /nfs/dbraw/zinc/94/83/60/793948360.db2.gz FXHNLGDCJPCHGY-GMTAPVOTSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214921882 793947505 /nfs/dbraw/zinc/94/75/05/793947505.db2.gz YNWVAICVSVEHHM-OPRDCNLKSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214923658 793948348 /nfs/dbraw/zinc/94/83/48/793948348.db2.gz JQNPPMROCAKCQC-IJLUTSLNSA-N 1 0 346.453 -1.359 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C ZINC001214928307 793948146 /nfs/dbraw/zinc/94/81/46/793948146.db2.gz VKRNVAOQCOOLGJ-PSASIEDQSA-N 1 0 336.352 -1.312 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214928385 793948034 /nfs/dbraw/zinc/94/80/34/793948034.db2.gz YUJDZPBMZKORCT-MWLCHTKSSA-N 1 0 343.409 -1.219 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C)C(=O)NC(N)=O ZINC001214929752 793947811 /nfs/dbraw/zinc/94/78/11/793947811.db2.gz NKBCGUJGUGZRIZ-KHQFGBGNSA-N 1 0 336.352 -1.184 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C)C(=O)NC(N)=O ZINC001214929753 793947946 /nfs/dbraw/zinc/94/79/46/793947946.db2.gz NKBCGUJGUGZRIZ-NQMVMOMDSA-N 1 0 336.352 -1.184 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214955246 793947570 /nfs/dbraw/zinc/94/75/70/793947570.db2.gz SWNLZYJQJKOHKK-FCHSOHFDSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214955247 793947800 /nfs/dbraw/zinc/94/78/00/793947800.db2.gz SWNLZYJQJKOHKK-IQMDTDKHSA-N 1 0 339.396 -1.466 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001214961190 793948403 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GNOVLDBWDDBXTB-IWSPIJDZSA-N 1 0 334.398 -1.949 20 0 EAADRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)S(C)(=O)=O ZINC001214971589 793948166 /nfs/dbraw/zinc/94/81/66/793948166.db2.gz ZPKNBMGHLDDCBB-GMTAPVOTSA-N 1 0 340.467 -1.099 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)S(C)(=O)=O ZINC001214971590 793947455 /nfs/dbraw/zinc/94/74/55/793947455.db2.gz ZPKNBMGHLDDCBB-OUAUKWLOSA-N 1 0 340.467 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C ZINC001214976252 793948536 /nfs/dbraw/zinc/94/85/36/793948536.db2.gz MSYOJSMIDYHEOF-NXEZZACHSA-N 1 0 348.425 -1.687 20 0 EAADRO C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001214976343 793948579 /nfs/dbraw/zinc/94/85/79/793948579.db2.gz PTYJSBTUFMXBPT-VXGBXAGGSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214976377 793947614 /nfs/dbraw/zinc/94/76/14/793947614.db2.gz QQTGKLYBAKKDQV-GHMZBOCLSA-N 1 0 340.467 -1.098 20 0 EAADRO 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C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214979729 793948574 /nfs/dbraw/zinc/94/85/74/793948574.db2.gz ZSUJHLCVSIGRHR-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214979730 793947724 /nfs/dbraw/zinc/94/77/24/793947724.db2.gz ZSUJHLCVSIGRHR-OUAUKWLOSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214981792 793947786 /nfs/dbraw/zinc/94/77/86/793947786.db2.gz CPGUDRYTFYWUPI-MWLCHTKSSA-N 1 0 335.364 -1.370 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C ZINC001214982140 793947468 /nfs/dbraw/zinc/94/74/68/793947468.db2.gz NXAKMFUDYMIMFJ-ZYHUDNBSSA-N 1 0 349.391 -1.109 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001214984143 793948384 /nfs/dbraw/zinc/94/83/84/793948384.db2.gz AUNMZEJQAMDIAJ-VXGBXAGGSA-N 1 0 349.453 -1.428 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001214984170 793948596 /nfs/dbraw/zinc/94/85/96/793948596.db2.gz BOFHWYLTZSXMNF-GMTAPVOTSA-N 1 0 335.426 -1.642 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001214984172 793948393 /nfs/dbraw/zinc/94/83/93/793948393.db2.gz BOFHWYLTZSXMNF-OUAUKWLOSA-N 1 0 335.426 -1.642 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001214984189 793948609 /nfs/dbraw/zinc/94/86/09/793948609.db2.gz CAGOFJCHFYSVLH-GRYCIOLGSA-N 1 0 347.437 -1.627 20 0 EAADRO COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001214984193 793947521 /nfs/dbraw/zinc/94/75/21/793947521.db2.gz CAGOFJCHFYSVLH-IJLUTSLNSA-N 1 0 347.437 -1.627 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C ZINC001214984382 793947378 /nfs/dbraw/zinc/94/73/78/793947378.db2.gz LBYKTNOBYREXMM-GHMZBOCLSA-N 1 0 335.426 -1.770 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C ZINC001214984385 793948083 /nfs/dbraw/zinc/94/80/83/793948083.db2.gz LCVRLPMXDGLJPM-GRYCIOLGSA-N 1 0 349.453 -1.381 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C ZINC001214984386 793948424 /nfs/dbraw/zinc/94/84/24/793948424.db2.gz LCVRLPMXDGLJPM-IJLUTSLNSA-N 1 0 349.453 -1.381 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C)C(N)=O ZINC001214984460 793947558 /nfs/dbraw/zinc/94/75/58/793947558.db2.gz OHGCLBZHNBYXDS-GRYCIOLGSA-N 1 0 349.453 -1.252 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C)C(N)=O ZINC001214984461 793947850 /nfs/dbraw/zinc/94/78/50/793947850.db2.gz OHGCLBZHNBYXDS-IJLUTSLNSA-N 1 0 349.453 -1.252 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C ZINC001214984612 793948522 /nfs/dbraw/zinc/94/85/22/793948522.db2.gz VUKHQEFOARCOHM-VXGBXAGGSA-N 1 0 349.453 -1.380 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001214988026 793947863 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1 0 344.393 -1.277 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001214990245 793948546 /nfs/dbraw/zinc/94/85/46/793948546.db2.gz HBPBZVUMSSIQCE-KWCYVHTRSA-N 1 0 340.424 -1.288 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001214990246 793948133 /nfs/dbraw/zinc/94/81/33/793948133.db2.gz HBPBZVUMSSIQCE-MRVWCRGKSA-N 1 0 340.424 -1.288 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001214990267 793947765 /nfs/dbraw/zinc/94/77/65/793947765.db2.gz HOQXIGHCLGVHPD-NQBHXWOUSA-N 1 0 328.413 -1.290 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001214990268 793947478 /nfs/dbraw/zinc/94/74/78/793947478.db2.gz HOQXIGHCLGVHPD-NTZNESFSSA-N 1 0 328.413 -1.290 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001214990276 793948311 /nfs/dbraw/zinc/94/83/11/793948311.db2.gz HUXIQXWTVUHQMR-FXPVBKGRSA-N 1 0 327.385 -2.451 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001214990277 793948095 /nfs/dbraw/zinc/94/80/95/793948095.db2.gz HUXIQXWTVUHQMR-WCABBAIRSA-N 1 0 327.385 -2.451 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C)C(N)=O ZINC001214990328 793947777 /nfs/dbraw/zinc/94/77/77/793947777.db2.gz KSXBLCMPEQRDQU-ADEWGFFLSA-N 1 0 341.412 -2.061 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C)C(N)=O ZINC001214990329 793948050 /nfs/dbraw/zinc/94/80/50/793948050.db2.gz KSXBLCMPEQRDQU-YUSALJHKSA-N 1 0 341.412 -2.061 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214990336 793947603 /nfs/dbraw/zinc/94/76/03/793947603.db2.gz LCRFHKWQZPGNCY-DGCLKSJQSA-N 1 0 344.412 -2.316 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001214990340 793947757 /nfs/dbraw/zinc/94/77/57/793947757.db2.gz LJAKRISHFRHQBF-DGCLKSJQSA-N 1 0 328.413 -1.288 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 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ZINC001215045028 793949238 /nfs/dbraw/zinc/94/92/38/793949238.db2.gz PRNHEXJWBIQBOX-NQBHXWOUSA-N 1 0 327.385 -1.121 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001215045029 793950259 /nfs/dbraw/zinc/95/02/59/793950259.db2.gz PRNHEXJWBIQBOX-NTZNESFSSA-N 1 0 327.385 -1.121 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215045250 793949922 /nfs/dbraw/zinc/94/99/22/793949922.db2.gz VSZXXPDQZOEKRB-MWLCHTKSSA-N 1 0 330.414 -1.254 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001215045279 793949951 /nfs/dbraw/zinc/94/99/51/793949951.db2.gz WLLRLYAVYLMAIE-NTZNESFSSA-N 1 0 336.396 -1.162 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001215047540 793949829 /nfs/dbraw/zinc/94/98/29/793949829.db2.gz OUICSRSZKWFFPF-MWLCHTKSSA-N 1 0 335.368 -1.203 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001215047840 793949853 /nfs/dbraw/zinc/94/98/53/793949853.db2.gz VJHKGTIPAFDSIE-MWLCHTKSSA-N 1 0 330.414 -1.206 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215048045 793949531 /nfs/dbraw/zinc/94/95/31/793949531.db2.gz YBEWDGISNAZGHY-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C ZINC001215049093 793949813 /nfs/dbraw/zinc/94/98/13/793949813.db2.gz DTVYOMARYKANCE-ZYHUDNBSSA-N 1 0 349.391 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215049316 793949449 /nfs/dbraw/zinc/94/94/49/793949449.db2.gz PJGUGXIYMZASCD-MWLCHTKSSA-N 1 0 335.364 -1.370 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054405 793949386 /nfs/dbraw/zinc/94/93/86/793949386.db2.gz AUCKOWUNAZTPJZ-GRYCIOLGSA-N 1 0 325.413 -1.027 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054406 793949890 /nfs/dbraw/zinc/94/98/90/793949890.db2.gz AUCKOWUNAZTPJZ-IJLUTSLNSA-N 1 0 325.413 -1.027 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054465 793949960 /nfs/dbraw/zinc/94/99/60/793949960.db2.gz FCSUBDJNBOEGKV-VXGBXAGGSA-N 1 0 325.413 -1.026 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054513 793950037 /nfs/dbraw/zinc/95/00/37/793950037.db2.gz HAWZFTKUGFIGHC-FRRDWIJNSA-N 1 0 328.413 -1.155 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054514 793951735 /nfs/dbraw/zinc/95/17/35/793951735.db2.gz HAWZFTKUGFIGHC-JHJVBQTASA-N 1 0 328.413 -1.155 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1[NH2+]CCOCCO ZINC001215054521 793951677 /nfs/dbraw/zinc/95/16/77/793951677.db2.gz HERLZUIXZJZEPP-CHWSQXEVSA-N 1 0 328.413 -1.153 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215054591 793951902 /nfs/dbraw/zinc/95/19/02/793951902.db2.gz KCZRSTBLXFFXDE-VXGBXAGGSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215054690 793950894 /nfs/dbraw/zinc/95/08/94/793950894.db2.gz OHEUBPXKSTZMRT-VXGBXAGGSA-N 1 0 325.413 -1.074 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215054735 793951045 /nfs/dbraw/zinc/95/10/45/793951045.db2.gz RDVLHTSCRLMLFH-NXEZZACHSA-N 1 0 340.384 -1.967 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215056740 793951231 /nfs/dbraw/zinc/95/12/31/793951231.db2.gz FWEKMLXJZBQGRG-NXEZZACHSA-N 1 0 345.363 -1.026 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC001215056842 793951174 /nfs/dbraw/zinc/95/11/74/793951174.db2.gz KNOWVRYXUXTCGB-RKDXNWHRSA-N 1 0 344.393 -1.277 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215060530 793951123 /nfs/dbraw/zinc/95/11/23/793951123.db2.gz LHUFLYCLBSAWJI-VXGBXAGGSA-N 1 0 327.429 -1.635 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C ZINC001215060535 793951758 /nfs/dbraw/zinc/95/17/58/793951758.db2.gz LPVZBKNAANGLSN-CHWSQXEVSA-N 1 0 341.456 -1.375 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001215060824 793951779 /nfs/dbraw/zinc/95/17/79/793951779.db2.gz WMGNKUWRMYUEDJ-FRRDWIJNSA-N 1 0 341.456 -1.247 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001215060825 793951473 /nfs/dbraw/zinc/95/14/73/793951473.db2.gz WMGNKUWRMYUEDJ-JHJVBQTASA-N 1 0 341.456 -1.247 20 0 EAADRO C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215071193 793951847 /nfs/dbraw/zinc/95/18/47/793951847.db2.gz OSHKPOTVUOQFHY-NXEZZACHSA-N 1 0 345.363 -1.026 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001215079640 793951692 /nfs/dbraw/zinc/95/16/92/793951692.db2.gz CSBBQJLXRBQUPR-GHMZBOCLSA-N 1 0 337.380 -1.479 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001215080348 793951653 /nfs/dbraw/zinc/95/16/53/793951653.db2.gz NXVOJKOLOYJLNN-GRYCIOLGSA-N 1 0 340.380 -1.607 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001215080349 793951643 /nfs/dbraw/zinc/95/16/43/793951643.db2.gz NXVOJKOLOYJLNN-IJLUTSLNSA-N 1 0 340.380 -1.607 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001215080574 793951220 /nfs/dbraw/zinc/95/12/20/793951220.db2.gz PIGKXEQJFHIQIS-GMTAPVOTSA-N 1 0 337.380 -1.480 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001215080575 793951723 /nfs/dbraw/zinc/95/17/23/793951723.db2.gz PIGKXEQJFHIQIS-OUAUKWLOSA-N 1 0 337.380 -1.480 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]CCOCCO ZINC001215080582 793951774 /nfs/dbraw/zinc/95/17/74/793951774.db2.gz PVSUVZFTXFGYHI-VXGBXAGGSA-N 1 0 340.380 -1.606 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215080628 793951704 /nfs/dbraw/zinc/95/17/04/793951704.db2.gz SLPDJXBIXUMDAC-GHMZBOCLSA-N 1 0 337.380 -1.526 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215080810 793951632 /nfs/dbraw/zinc/95/16/32/793951632.db2.gz VSXTXVSUWQOIHM-ZYHUDNBSSA-N 1 0 349.391 -1.336 20 0 EAADRO C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215085941 793951340 /nfs/dbraw/zinc/95/13/40/793951340.db2.gz MHKJZTHLKMUVED-NXEZZACHSA-N 1 0 342.400 -1.544 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090708 793951108 /nfs/dbraw/zinc/95/11/08/793951108.db2.gz XLQROYVAYHXSIV-GRYCIOLGSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090709 793951681 /nfs/dbraw/zinc/95/16/81/793951681.db2.gz XLQROYVAYHXSIV-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215092134 793950857 /nfs/dbraw/zinc/95/08/57/793950857.db2.gz BFIYHRLBKWHKCE-GRYCIOLGSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215092135 793951396 /nfs/dbraw/zinc/95/13/96/793951396.db2.gz BFIYHRLBKWHKCE-IJLUTSLNSA-N 1 0 331.438 -1.054 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC001215092164 793951659 /nfs/dbraw/zinc/95/16/59/793951659.db2.gz BYVFPCBMJWLZBL-FRRDWIJNSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC001215092165 793951184 /nfs/dbraw/zinc/95/11/84/793951184.db2.gz BYVFPCBMJWLZBL-JHJVBQTASA-N 1 0 341.408 -1.031 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092670 793951834 /nfs/dbraw/zinc/95/18/34/793951834.db2.gz PMLDUCTUPGVTPQ-GRYCIOLGSA-N 1 0 331.438 -1.006 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092671 793951327 /nfs/dbraw/zinc/95/13/27/793951327.db2.gz PMLDUCTUPGVTPQ-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215092891 793950818 /nfs/dbraw/zinc/95/08/18/793950818.db2.gz SVIIZVJOKPECKW-KXUCPTDWSA-N 1 0 346.409 -1.948 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215092892 793950675 /nfs/dbraw/zinc/95/06/75/793950675.db2.gz SVIIZVJOKPECKW-OPRDCNLKSA-N 1 0 346.409 -1.948 20 0 EAADRO C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1[NH2+]CCOCCO ZINC001215092945 793951817 /nfs/dbraw/zinc/95/18/17/793951817.db2.gz UUEOFNKZKRFXPK-CHWSQXEVSA-N 1 0 341.408 -1.029 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1[NH2+]CCOCCO ZINC001215093037 793950716 /nfs/dbraw/zinc/95/07/16/793950716.db2.gz WPROFFAQNXVDGQ-FRRDWIJNSA-N 1 0 334.438 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1[NH2+]CCOCCO ZINC001215093039 793951911 /nfs/dbraw/zinc/95/19/11/793951911.db2.gz WPROFFAQNXVDGQ-JHJVBQTASA-N 1 0 334.438 -1.134 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215095403 793951553 /nfs/dbraw/zinc/95/15/53/793951553.db2.gz YFFCBTSCTXUCSJ-GRYCIOLGSA-N 1 0 325.413 -1.040 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215095404 793951310 /nfs/dbraw/zinc/95/13/10/793951310.db2.gz YFFCBTSCTXUCSJ-IJLUTSLNSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215106193 793951788 /nfs/dbraw/zinc/95/17/88/793951788.db2.gz VESAQGHASQRVKA-HTQZYQBOSA-N 1 0 337.336 -1.377 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215106379 793951767 /nfs/dbraw/zinc/95/17/67/793951767.db2.gz XWGPHVDZEINROE-GMTAPVOTSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215106381 793951071 /nfs/dbraw/zinc/95/10/71/793951071.db2.gz XWGPHVDZEINROE-OUAUKWLOSA-N 1 0 339.396 -1.323 20 0 EAADRO COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)nc1 ZINC001215110537 793950827 /nfs/dbraw/zinc/95/08/27/793950827.db2.gz NOGSWSVBDUGOCA-PSASIEDQSA-N 1 0 336.352 -1.270 20 0 EAADRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)nn1C ZINC001215112810 793951614 /nfs/dbraw/zinc/95/16/14/793951614.db2.gz TYZRVWWSJLFJNX-PSASIEDQSA-N 1 0 338.368 -1.326 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C ZINC001215114406 793950807 /nfs/dbraw/zinc/95/08/07/793950807.db2.gz UJHXWUAKQGSAHR-ZYHUDNBSSA-N 1 0 349.391 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215114503 793951366 /nfs/dbraw/zinc/95/13/66/793951366.db2.gz XFDXXJHXIHRCOM-MWLCHTKSSA-N 1 0 335.364 -1.370 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215118768 793951666 /nfs/dbraw/zinc/95/16/66/793951666.db2.gz VPCOERVCRUYCTL-VXNVDRBHSA-N 1 0 346.351 -1.402 20 0 EAADRO COc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)n1 ZINC001215120808 793950822 /nfs/dbraw/zinc/95/08/22/793950822.db2.gz RHFKARPALGUKPB-PSASIEDQSA-N 1 0 336.352 -1.270 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215134298 793951487 /nfs/dbraw/zinc/95/14/87/793951487.db2.gz GTPNPNAVXVQXMJ-PSASIEDQSA-N 1 0 346.351 -1.631 20 0 EAADRO Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)n(C)n1 ZINC001215134327 793950883 /nfs/dbraw/zinc/95/08/83/793950883.db2.gz IHVTVEBRSNQXEN-BXKDBHETSA-N 1 0 336.396 -1.098 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215141557 793950844 /nfs/dbraw/zinc/95/08/44/793950844.db2.gz IBVJEBBZIRULTK-MWLCHTKSSA-N 1 0 345.363 -1.026 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC001215157874 793951871 /nfs/dbraw/zinc/95/18/71/793951871.db2.gz GHBCLSOVYJJEIG-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215169092 793950965 /nfs/dbraw/zinc/95/09/65/793950965.db2.gz SDXSPUCVUXPRAI-MWLCHTKSSA-N 1 0 335.364 -1.039 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215177834 793950723 /nfs/dbraw/zinc/95/07/23/793950723.db2.gz NBNOJKDWTMBSCS-LPWJVIDDSA-N 1 0 340.424 -1.018 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215188376 793951602 /nfs/dbraw/zinc/95/16/02/793951602.db2.gz MCKOMBFRMXCZTP-RKDXNWHRSA-N 1 0 336.352 -1.975 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215188559 793951069 /nfs/dbraw/zinc/95/10/69/793951069.db2.gz VWVFQIXATSUUEG-GHMZBOCLSA-N 1 0 342.421 -1.125 20 0 EAADRO CCn1cc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001215198423 793953078 /nfs/dbraw/zinc/95/30/78/793953078.db2.gz DZLYJVVEXHJOJJ-MWLCHTKSSA-N 1 0 337.384 -1.528 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C ZINC001215199721 793953178 /nfs/dbraw/zinc/95/31/78/793953178.db2.gz BECISZCNJOSMQU-BBBLOLIVSA-N 1 0 346.409 -2.918 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C ZINC001215199749 793952282 /nfs/dbraw/zinc/95/22/82/793952282.db2.gz CPBGFPNIHMLVPE-UTUOFQBUSA-N 1 0 347.437 -1.627 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215199842 793953428 /nfs/dbraw/zinc/95/34/28/793953428.db2.gz HSKYCKWRCKTXOX-GHMZBOCLSA-N 1 0 336.396 -1.016 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C ZINC001215200127 793953063 /nfs/dbraw/zinc/95/30/63/793953063.db2.gz QIIIXUGWQMZNCP-MXWKQRLJSA-N 1 0 333.410 -2.018 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1[NH2+]CCCF ZINC001215200403 793953356 /nfs/dbraw/zinc/95/33/56/793953356.db2.gz UKTHVPSXMDKMCS-MXWKQRLJSA-N 1 0 335.401 -1.304 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1C ZINC001215200442 793953716 /nfs/dbraw/zinc/95/37/16/793953716.db2.gz WBFXRNYQVOUDQR-UTUOFQBUSA-N 1 0 347.437 -1.627 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1[NH2+]CCCO ZINC001215200493 793952740 /nfs/dbraw/zinc/95/27/40/793952740.db2.gz YOKKEDQQVPLLOO-MXWKQRLJSA-N 1 0 333.410 -2.282 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C ZINC001215201995 793953689 /nfs/dbraw/zinc/95/36/89/793953689.db2.gz JCPWAWLUUPEARN-FCHSOHFDSA-N 1 0 339.396 -1.595 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C ZINC001215201996 793952615 /nfs/dbraw/zinc/95/26/15/793952615.db2.gz JCPWAWLUUPEARN-IQMDTDKHSA-N 1 0 339.396 -1.595 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C ZINC001215202133 793953193 /nfs/dbraw/zinc/95/31/93/793953193.db2.gz PHIPBEYATFGWNN-ADEWGFFLSA-N 1 0 334.380 -1.452 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C ZINC001215202303 793953016 /nfs/dbraw/zinc/95/30/16/793953016.db2.gz SLKWQWOIZOAJHD-KGYLQXTDSA-N 1 0 348.407 -1.062 20 0 EAADRO C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215202331 793953387 /nfs/dbraw/zinc/95/33/87/793953387.db2.gz UVNKMBYKHCTJOM-NUPCCRGMSA-N 1 0 325.369 -1.856 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215202332 793952984 /nfs/dbraw/zinc/95/29/84/793952984.db2.gz UVNKMBYKHCTJOM-RFXMVYNHSA-N 1 0 325.369 -1.856 20 0 EAADRO C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215202359 793952542 /nfs/dbraw/zinc/95/25/42/793952542.db2.gz VZZIEKWDHDEPKO-GYSYKLTISA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215202360 793953783 /nfs/dbraw/zinc/95/37/83/793953783.db2.gz VZZIEKWDHDEPKO-JTNHKYCSSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215202407 793953569 /nfs/dbraw/zinc/95/35/69/793953569.db2.gz YVKVDACMQGTIBV-KGYLQXTDSA-N 1 0 348.407 -1.110 20 0 EAADRO C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215205190 793953332 /nfs/dbraw/zinc/95/33/32/793953332.db2.gz ZTXANOIWYSUDOT-GYSYKLTISA-N 1 0 346.453 -1.502 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215205193 793953043 /nfs/dbraw/zinc/95/30/43/793953043.db2.gz ZTXANOIWYSUDOT-JTNHKYCSSA-N 1 0 346.453 -1.502 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC001215209728 793952842 /nfs/dbraw/zinc/95/28/42/793952842.db2.gz NNMHLMJLSVRFNJ-ZWNOBZJWSA-N 1 0 344.379 -1.147 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1[NH2+]CCOCCO ZINC001215211745 793953281 /nfs/dbraw/zinc/95/32/81/793953281.db2.gz LIEZLCNYVBDMFQ-CHWSQXEVSA-N 1 0 341.412 -1.583 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001215211759 793953725 /nfs/dbraw/zinc/95/37/25/793953725.db2.gz MCCSVZANITUVKQ-VXGBXAGGSA-N 1 0 338.412 -1.456 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001215212002 793952431 /nfs/dbraw/zinc/95/24/31/793952431.db2.gz XYLFXMYFGIJDAZ-GRYCIOLGSA-N 1 0 338.412 -1.457 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001215212003 793953550 /nfs/dbraw/zinc/95/35/50/793953550.db2.gz XYLFXMYFGIJDAZ-IJLUTSLNSA-N 1 0 338.412 -1.457 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215212034 793953372 /nfs/dbraw/zinc/95/33/72/793953372.db2.gz YVDYPDMPQKBTMY-VXGBXAGGSA-N 1 0 338.412 -1.503 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001215212044 793952682 /nfs/dbraw/zinc/95/26/82/793952682.db2.gz ZKUVSJWNIIYFTJ-FRRDWIJNSA-N 1 0 341.412 -1.584 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001215212045 793953841 /nfs/dbraw/zinc/95/38/41/793953841.db2.gz ZKUVSJWNIIYFTJ-JHJVBQTASA-N 1 0 341.412 -1.584 20 0 EAADRO C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215215180 793953768 /nfs/dbraw/zinc/95/37/68/793953768.db2.gz HINLZDXZCXCRSD-VXNVDRBHSA-N 1 0 337.336 -1.377 20 0 EAADRO CCC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001215224091 793953857 /nfs/dbraw/zinc/95/38/57/793953857.db2.gz HYEJCMSKDJKGIN-GMTAPVOTSA-N 1 0 334.442 -1.374 20 0 EAADRO CCC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1)S(N)(=O)=O ZINC001215224092 793952898 /nfs/dbraw/zinc/95/28/98/793952898.db2.gz HYEJCMSKDJKGIN-MXWKQRLJSA-N 1 0 334.442 -1.374 20 0 EAADRO CCC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)S(N)(=O)=O ZINC001215228489 793953704 /nfs/dbraw/zinc/95/37/04/793953704.db2.gz RSDMGRAWXAROLJ-IJLUTSLNSA-N 1 0 348.469 -1.032 20 0 EAADRO CCC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)S(N)(=O)=O ZINC001215228490 793952804 /nfs/dbraw/zinc/95/28/04/793952804.db2.gz RSDMGRAWXAROLJ-UTUOFQBUSA-N 1 0 348.469 -1.032 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215230568 793952875 /nfs/dbraw/zinc/95/28/75/793952875.db2.gz MQLATHRZMINYSH-GMTAPVOTSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215230569 793952462 /nfs/dbraw/zinc/95/24/62/793952462.db2.gz MQLATHRZMINYSH-OUAUKWLOSA-N 1 0 339.396 -1.466 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC(C)C)C1 ZINC001215232192 793952528 /nfs/dbraw/zinc/95/25/28/793952528.db2.gz COUDXIFJSNUMIQ-VXGBXAGGSA-N 1 0 336.458 -1.098 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001215232517 793952378 /nfs/dbraw/zinc/95/23/78/793952378.db2.gz JLHAIAFXBQLNEJ-VXGBXAGGSA-N 1 0 344.441 -1.627 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001215234074 793952499 /nfs/dbraw/zinc/95/24/99/793952499.db2.gz BCCHBLYGPSGHDA-GHMZBOCLSA-N 1 0 344.441 -1.590 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215234104 793953532 /nfs/dbraw/zinc/95/35/32/793953532.db2.gz CWWYXOBLWGLIIV-MWLCHTKSSA-N 1 0 347.441 -2.245 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001215234122 793953744 /nfs/dbraw/zinc/95/37/44/793953744.db2.gz DQAPWLCAROFBNC-GHMZBOCLSA-N 1 0 349.457 -2.045 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001215234146 793952259 /nfs/dbraw/zinc/95/22/59/793952259.db2.gz FWCVBBHJUSNGIT-NXEZZACHSA-N 1 0 335.430 -2.435 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001215234147 793952793 /nfs/dbraw/zinc/95/27/93/793952793.db2.gz FWXRITSUPNJBKY-ZYHUDNBSSA-N 1 0 344.441 -1.590 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2conc2C)C1 ZINC001215234193 793953646 /nfs/dbraw/zinc/95/36/46/793953646.db2.gz IIXOPJMUOXSBMB-BXKDBHETSA-N 1 0 345.425 -1.027 20 0 EAADRO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C)OC ZINC001215234195 793952819 /nfs/dbraw/zinc/95/28/19/793952819.db2.gz INFKFHZNHRWABT-GRYCIOLGSA-N 1 0 336.458 -1.098 20 0 EAADRO CC[C@H](C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C)OC ZINC001215234196 793953071 /nfs/dbraw/zinc/95/30/71/793953071.db2.gz INFKFHZNHRWABT-IJLUTSLNSA-N 1 0 336.458 -1.098 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001215234205 793953011 /nfs/dbraw/zinc/95/30/11/793953011.db2.gz JKBBKUWDVZWZOZ-GMTAPVOTSA-N 1 0 347.441 -2.245 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001215234206 793953004 /nfs/dbraw/zinc/95/30/04/793953004.db2.gz JKBBKUWDVZWZOZ-OUAUKWLOSA-N 1 0 347.441 -2.245 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001215234209 793953523 /nfs/dbraw/zinc/95/35/23/793953523.db2.gz JPXXRHKNMJWCSI-BXKDBHETSA-N 1 0 345.425 -1.027 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001215234228 793952448 /nfs/dbraw/zinc/95/24/48/793952448.db2.gz KKXKZKDGFAOTAE-ZYHUDNBSSA-N 1 0 344.441 -1.590 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001215234287 793952594 /nfs/dbraw/zinc/95/25/94/793952594.db2.gz NTXZOFCBECXZMZ-KXUCPTDWSA-N 1 0 333.414 -2.635 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001215234288 793952356 /nfs/dbraw/zinc/95/23/56/793952356.db2.gz NTXZOFCBECXZMZ-OPRDCNLKSA-N 1 0 333.414 -2.635 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001215234294 793953364 /nfs/dbraw/zinc/95/33/64/793953364.db2.gz OGLJJPDHUUAIHY-GMTAPVOTSA-N 1 0 338.430 -2.516 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001215234295 793952732 /nfs/dbraw/zinc/95/27/32/793952732.db2.gz OGLJJPDHUUAIHY-OUAUKWLOSA-N 1 0 338.430 -2.516 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001215234302 793953508 /nfs/dbraw/zinc/95/35/08/793953508.db2.gz OJIWRRDSEOLLGS-GHMZBOCLSA-N 1 0 349.457 -1.997 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001215234323 793953453 /nfs/dbraw/zinc/95/34/53/793953453.db2.gz PBESBURTYWNVID-FRRDWIJNSA-N 1 0 348.469 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001215234324 793952698 /nfs/dbraw/zinc/95/26/98/793952698.db2.gz PBESBURTYWNVID-JHJVBQTASA-N 1 0 348.469 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001215234335 793953419 /nfs/dbraw/zinc/95/34/19/793953419.db2.gz PLNOZJTVOULOIY-GHMZBOCLSA-N 1 0 338.430 -2.514 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001215234374 793952862 /nfs/dbraw/zinc/95/28/62/793952862.db2.gz RADNZYIZSNVQKI-PSASIEDQSA-N 1 0 348.454 -1.472 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnoc2C)C1 ZINC001215234389 793953344 /nfs/dbraw/zinc/95/33/44/793953344.db2.gz RWNBZMGFIQFQMV-BXKDBHETSA-N 1 0 345.425 -1.027 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001215234468 793953211 /nfs/dbraw/zinc/95/32/11/793953211.db2.gz WSBKRINLBQKSNL-GHMZBOCLSA-N 1 0 347.441 -2.291 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001215234494 793953269 /nfs/dbraw/zinc/95/32/69/793953269.db2.gz XQJPQDNEQLSPSN-NXEZZACHSA-N 1 0 335.430 -2.387 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001215234495 793953829 /nfs/dbraw/zinc/95/38/29/793953829.db2.gz XQPOQRRGKGLVHF-ZYHUDNBSSA-N 1 0 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1 0 325.369 -1.985 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001215319077 793955801 /nfs/dbraw/zinc/95/58/01/793955801.db2.gz LDYSZTXDKZAQLN-GMTAPVOTSA-N 1 0 334.442 -1.516 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001215319078 793956702 /nfs/dbraw/zinc/95/67/02/793956702.db2.gz LDYSZTXDKZAQLN-HBNTYKKESA-N 1 0 334.442 -1.516 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215319357 793956467 /nfs/dbraw/zinc/95/64/67/793956467.db2.gz UVRWQTQCOLFELX-IJLUTSLNSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215319358 793956566 /nfs/dbraw/zinc/95/65/66/793956566.db2.gz UVRWQTQCOLFELX-QJPTWQEYSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001215319449 793957003 /nfs/dbraw/zinc/95/70/03/793957003.db2.gz XKGMLFNCEKEPER-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001215319450 793956765 /nfs/dbraw/zinc/95/67/65/793956765.db2.gz XKGMLFNCEKEPER-HBNTYKKESA-N 1 0 339.396 -1.514 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C ZINC001215319486 793957070 /nfs/dbraw/zinc/95/70/70/793957070.db2.gz YMKGDCSLPCEPQN-IJLUTSLNSA-N 1 0 348.469 -1.126 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C ZINC001215319487 793956308 /nfs/dbraw/zinc/95/63/08/793956308.db2.gz YMKGDCSLPCEPQN-QJPTWQEYSA-N 1 0 348.469 -1.126 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215333670 793956394 /nfs/dbraw/zinc/95/63/94/793956394.db2.gz AITZTAGULJYURZ-HTQZYQBOSA-N 1 0 349.317 -1.061 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215333726 793955983 /nfs/dbraw/zinc/95/59/83/793955983.db2.gz BFYSXDQBMPLGMO-GHMZBOCLSA-N 1 0 339.400 -1.587 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215333742 793956726 /nfs/dbraw/zinc/95/67/26/793956726.db2.gz BOAMFCFSKVJRPU-GHMZBOCLSA-N 1 0 338.416 -1.032 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215333830 793957049 /nfs/dbraw/zinc/95/70/49/793957049.db2.gz DCVOHCBEWMIBMT-NXEZZACHSA-N 1 0 345.367 -1.311 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215334060 793956629 /nfs/dbraw/zinc/95/66/29/793956629.db2.gz DXWXBJBCIGGFTB-NXEZZACHSA-N 1 0 330.414 -1.305 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215334090 793956891 /nfs/dbraw/zinc/95/68/91/793956891.db2.gz GIITXPUWPNFSPI-BBBLOLIVSA-N 1 0 325.369 -1.761 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215334350 793955946 /nfs/dbraw/zinc/95/59/46/793955946.db2.gz JISDCAZLBQYCAG-UTUOFQBUSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215334422 793956709 /nfs/dbraw/zinc/95/67/09/793956709.db2.gz MCMXWHMXFHKCPV-NXEZZACHSA-N 1 0 345.429 -1.848 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334443 793956181 /nfs/dbraw/zinc/95/61/81/793956181.db2.gz NHSXSIRUMLPZKU-RKDXNWHRSA-N 1 0 338.372 -1.894 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334613 793956648 /nfs/dbraw/zinc/95/66/48/793956648.db2.gz NXJDBEKHECADLY-GRYCIOLGSA-N 1 0 342.400 -1.716 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334618 793956280 /nfs/dbraw/zinc/95/62/80/793956280.db2.gz NXJDBEKHECADLY-IJLUTSLNSA-N 1 0 342.400 -1.716 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)CS(C)(=O)=O ZINC001215334728 793957033 /nfs/dbraw/zinc/95/70/33/793957033.db2.gz QVXMWDVXMCXXIK-GMTAPVOTSA-N 1 0 344.441 -1.059 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)CS(C)(=O)=O ZINC001215334729 793956870 /nfs/dbraw/zinc/95/68/70/793956870.db2.gz QVXMWDVXMCXXIK-HBNTYKKESA-N 1 0 344.441 -1.059 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215334824 793957044 /nfs/dbraw/zinc/95/70/44/793957044.db2.gz TYFNFLGJXSLNHO-RKDXNWHRSA-N 1 0 331.402 -2.191 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334841 793957059 /nfs/dbraw/zinc/95/70/59/793957059.db2.gz UOPYUMMACMFOOD-NXEZZACHSA-N 1 0 345.429 -1.801 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334871 793957063 /nfs/dbraw/zinc/95/70/63/793957063.db2.gz WFMRWMFGYOSETD-ZYHUDNBSSA-N 1 0 339.400 -1.587 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334957 793956271 /nfs/dbraw/zinc/95/62/71/793956271.db2.gz ZYGWMUJFKBZXRP-GHMZBOCLSA-N 1 0 339.400 -1.587 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215335459 793955864 /nfs/dbraw/zinc/95/58/64/793955864.db2.gz COTOCUFMDNVFIW-GRYCIOLGSA-N 1 0 334.384 -1.482 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215335460 793956743 /nfs/dbraw/zinc/95/67/43/793956743.db2.gz COTOCUFMDNVFIW-IJLUTSLNSA-N 1 0 334.384 -1.482 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C ZINC001215335648 793956816 /nfs/dbraw/zinc/95/68/16/793956816.db2.gz HQJCXJFEMATRQH-MXWKQRLJSA-N 1 0 339.396 -1.501 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215336410 793955998 /nfs/dbraw/zinc/95/59/98/793955998.db2.gz TXYNFDQPKDGCMQ-HRDYMLBCSA-N 1 0 338.372 -1.896 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215336411 793956081 /nfs/dbraw/zinc/95/60/81/793956081.db2.gz TXYNFDQPKDGCMQ-IWSPIJDZSA-N 1 0 338.372 -1.896 20 0 EAADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215336676 793956980 /nfs/dbraw/zinc/95/69/80/793956980.db2.gz YNZXTQAKAHHKSW-RKDXNWHRSA-N 1 0 334.340 -1.113 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001215355630 793956502 /nfs/dbraw/zinc/95/65/02/793956502.db2.gz HPRDPGYAFLRACB-GMTAPVOTSA-N 1 0 339.396 -1.643 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C ZINC001215355631 793956994 /nfs/dbraw/zinc/95/69/94/793956994.db2.gz HPRDPGYAFLRACB-OUAUKWLOSA-N 1 0 339.396 -1.643 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215355724 793956637 /nfs/dbraw/zinc/95/66/37/793956637.db2.gz IMFRMTLQZWXUFD-GRYCIOLGSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215355726 793955889 /nfs/dbraw/zinc/95/58/89/793955889.db2.gz IMFRMTLQZWXUFD-IJLUTSLNSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215356212 793956413 /nfs/dbraw/zinc/95/64/13/793956413.db2.gz SMMLHVOVKKWMNP-GRYCIOLGSA-N 1 0 346.453 -1.550 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215356213 793956030 /nfs/dbraw/zinc/95/60/30/793956030.db2.gz SMMLHVOVKKWMNP-IJLUTSLNSA-N 1 0 346.453 -1.550 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215356361 793956911 /nfs/dbraw/zinc/95/69/11/793956911.db2.gz XZBPFCUDLYEMBM-KXUCPTDWSA-N 1 0 325.369 -1.904 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215356362 793956334 /nfs/dbraw/zinc/95/63/34/793956334.db2.gz XZBPFCUDLYEMBM-OPRDCNLKSA-N 1 0 325.369 -1.904 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215357553 793956804 /nfs/dbraw/zinc/95/68/04/793956804.db2.gz FWCKYXIBGICBNG-LBELIVKGSA-N 1 0 331.438 -1.136 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215374182 793956248 /nfs/dbraw/zinc/95/62/48/793956248.db2.gz RILXDVVHVAAARE-VXNVDRBHSA-N 1 0 336.352 -1.264 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215379592 793955840 /nfs/dbraw/zinc/95/58/40/793955840.db2.gz TXIYBGLCWREGKP-FCHSOHFDSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215379593 793956116 /nfs/dbraw/zinc/95/61/16/793956116.db2.gz TXIYBGLCWREGKP-IQMDTDKHSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215384861 793957077 /nfs/dbraw/zinc/95/70/77/793957077.db2.gz GIITXPUWPNFSPI-OPRDCNLKSA-N 1 0 325.369 -1.761 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C ZINC001215384923 793956923 /nfs/dbraw/zinc/95/69/23/793956923.db2.gz HQJCXJFEMATRQH-GMTAPVOTSA-N 1 0 339.396 -1.501 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215384983 793956233 /nfs/dbraw/zinc/95/62/33/793956233.db2.gz JISDCAZLBQYCAG-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215403752 793956132 /nfs/dbraw/zinc/95/61/32/793956132.db2.gz YRONIGFOSNPDKZ-MWLCHTKSSA-N 1 0 338.368 -1.570 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C ZINC001215409984 793956289 /nfs/dbraw/zinc/95/62/89/793956289.db2.gz LKLRBKSQJQGPSX-PSASIEDQSA-N 1 0 336.352 -1.724 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215410049 793956522 /nfs/dbraw/zinc/95/65/22/793956522.db2.gz MIQZYTWKAODZEW-FXPVBKGRSA-N 1 0 349.395 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215410060 793956591 /nfs/dbraw/zinc/95/65/91/793956591.db2.gz MIQZYTWKAODZEW-WCABBAIRSA-N 1 0 349.395 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215410455 793956581 /nfs/dbraw/zinc/95/65/81/793956581.db2.gz VCOCXUGBYFTSJG-MWLCHTKSSA-N 1 0 328.394 -1.135 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001215412278 793955814 /nfs/dbraw/zinc/95/58/14/793955814.db2.gz IRPRQJUQQQGRMQ-KHQFGBGNSA-N 1 0 336.352 -1.597 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001215412279 793956784 /nfs/dbraw/zinc/95/67/84/793956784.db2.gz IRPRQJUQQQGRMQ-NQMVMOMDSA-N 1 0 336.352 -1.597 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215412434 793956438 /nfs/dbraw/zinc/95/64/38/793956438.db2.gz LMUUICCZRMRXJX-MWLCHTKSSA-N 1 0 343.409 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215429431 793957023 /nfs/dbraw/zinc/95/70/23/793957023.db2.gz BYWQOUZUUCZMIQ-ZYHUDNBSSA-N 1 0 346.453 -1.230 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+]Cc1cnnn1C ZINC001215429451 793956941 /nfs/dbraw/zinc/95/69/41/793956941.db2.gz CYKXMVBGWGVARO-ZYHUDNBSSA-N 1 0 344.441 -1.180 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215429541 793955910 /nfs/dbraw/zinc/95/59/10/793955910.db2.gz IBVRJNFMOCDAPB-GHMZBOCLSA-N 1 0 334.442 -1.420 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001215429560 793956366 /nfs/dbraw/zinc/95/63/66/793956366.db2.gz IWMKXUYAFPMLNZ-VXGBXAGGSA-N 1 0 346.453 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ZINC001215429855 793956829 /nfs/dbraw/zinc/95/68/29/793956829.db2.gz RXSNGWKVJRJWGT-OUAUKWLOSA-N 1 0 332.426 -1.620 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215430016 793958482 /nfs/dbraw/zinc/95/84/82/793958482.db2.gz VRGFAKFJHKBPHY-RKDXNWHRSA-N 1 0 349.413 -2.314 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431602 793958737 /nfs/dbraw/zinc/95/87/37/793958737.db2.gz GTBHQWJWMKXCNP-NXEZZACHSA-N 1 0 339.396 -1.466 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431640 793958112 /nfs/dbraw/zinc/95/81/12/793958112.db2.gz IJQWBYMTOHYPKJ-GHMZBOCLSA-N 1 0 346.453 -1.372 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431700 793958300 /nfs/dbraw/zinc/95/83/00/793958300.db2.gz LCXSKWHPXGCJHT-RKDXNWHRSA-N 1 0 325.369 -1.856 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431763 793958724 /nfs/dbraw/zinc/95/87/24/793958724.db2.gz MVYJHDJBKSINEV-VXGBXAGGSA-N 1 0 340.424 -1.159 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215431767 793957640 /nfs/dbraw/zinc/95/76/40/793957640.db2.gz NATBVOOEUMBXNM-HRDYMLBCSA-N 1 0 325.369 -1.728 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215431768 793958070 /nfs/dbraw/zinc/95/80/70/793958070.db2.gz NATBVOOEUMBXNM-IWSPIJDZSA-N 1 0 325.369 -1.728 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431784 793958194 /nfs/dbraw/zinc/95/81/94/793958194.db2.gz NWHBQVGJMFEVEV-FRRDWIJNSA-N 1 0 343.424 -1.288 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431785 793958686 /nfs/dbraw/zinc/95/86/86/793958686.db2.gz NWHBQVGJMFEVEV-JHJVBQTASA-N 1 0 343.424 -1.288 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431787 793958516 /nfs/dbraw/zinc/95/85/16/793958516.db2.gz ODWPQTIJGWRFDP-KXUCPTDWSA-N 1 0 339.396 -1.468 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ZINC001215432000 793958399 /nfs/dbraw/zinc/95/83/99/793958399.db2.gz XJBNKTDVFOHENF-NXEZZACHSA-N 1 0 332.426 -1.762 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215432018 793958037 /nfs/dbraw/zinc/95/80/37/793958037.db2.gz XTEXDCPIAOKTBQ-GRYCIOLGSA-N 1 0 337.442 -1.501 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215432019 793958269 /nfs/dbraw/zinc/95/82/69/793958269.db2.gz XTEXDCPIAOKTBQ-IJLUTSLNSA-N 1 0 337.442 -1.501 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215432060 793958438 /nfs/dbraw/zinc/95/84/38/793958438.db2.gz ZOXFTONMHKGKSX-FRRDWIJNSA-N 1 0 335.408 -1.054 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215432061 793957946 /nfs/dbraw/zinc/95/79/46/793957946.db2.gz ZOXFTONMHKGKSX-JHJVBQTASA-N 1 0 335.408 -1.054 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215432062 793958024 /nfs/dbraw/zinc/95/80/24/793958024.db2.gz ZPWKQBMMUCPCLE-GMTAPVOTSA-N 1 0 334.442 -1.374 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215432063 793958132 /nfs/dbraw/zinc/95/81/32/793958132.db2.gz ZPWKQBMMUCPCLE-OUAUKWLOSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001215433796 793958791 /nfs/dbraw/zinc/95/87/91/793958791.db2.gz AFXAMMHRLCAWPD-GRYCIOLGSA-N 1 0 346.453 -1.278 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001215433797 793958372 /nfs/dbraw/zinc/95/83/72/793958372.db2.gz AFXAMMHRLCAWPD-IJLUTSLNSA-N 1 0 346.453 -1.278 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C)C(N)=O ZINC001215434053 793958259 /nfs/dbraw/zinc/95/82/59/793958259.db2.gz NFLLKIALLGIUEO-GMTAPVOTSA-N 1 0 334.442 -1.245 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C)C(N)=O ZINC001215434054 793958246 /nfs/dbraw/zinc/95/82/46/793958246.db2.gz NFLLKIALLGIUEO-OUAUKWLOSA-N 1 0 334.442 -1.245 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1[NH2+]CCn1cncn1 ZINC001215434238 793957603 /nfs/dbraw/zinc/95/76/03/793957603.db2.gz VDOZJXQERNZIDR-VXGBXAGGSA-N 1 0 344.441 -1.217 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C)C(=O)N(C)C ZINC001215434275 793958587 /nfs/dbraw/zinc/95/85/87/793958587.db2.gz WVQFBTAOEMBPOI-GRYCIOLGSA-N 1 0 348.469 -1.032 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C)C(=O)N(C)C ZINC001215434276 793958466 /nfs/dbraw/zinc/95/84/66/793958466.db2.gz WVQFBTAOEMBPOI-IJLUTSLNSA-N 1 0 348.469 -1.032 20 0 EAADRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001215438642 793957963 /nfs/dbraw/zinc/95/79/63/793957963.db2.gz BYWXYCHEWCVUJN-NXEZZACHSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001215438660 793958499 /nfs/dbraw/zinc/95/84/99/793958499.db2.gz COTKEUKUISQACZ-KXUCPTDWSA-N 1 0 327.385 -2.499 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001215438663 793957862 /nfs/dbraw/zinc/95/78/62/793957862.db2.gz COTKEUKUISQACZ-OPRDCNLKSA-N 1 0 327.385 -2.499 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215438712 793958649 /nfs/dbraw/zinc/95/86/49/793958649.db2.gz DXGKYBKLCWJKFH-KHQFGBGNSA-N 1 0 325.369 -1.715 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215438715 793958042 /nfs/dbraw/zinc/95/80/42/793958042.db2.gz DXGKYBKLCWJKFH-NQMVMOMDSA-N 1 0 325.369 -1.715 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001215438779 793958447 /nfs/dbraw/zinc/95/84/47/793958447.db2.gz FOXJYPHEUBEPCP-KXUCPTDWSA-N 1 0 341.412 -1.079 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001215438782 793958202 /nfs/dbraw/zinc/95/82/02/793958202.db2.gz FOXJYPHEUBEPCP-OPRDCNLKSA-N 1 0 341.412 -1.079 20 0 EAADRO 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C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215507867 793957475 /nfs/dbraw/zinc/95/74/75/793957475.db2.gz KUWOOYROHIUECB-NXEZZACHSA-N 1 0 335.364 -1.370 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1[NH2+]CCCO ZINC001215507880 793957743 /nfs/dbraw/zinc/95/77/43/793957743.db2.gz LCOJOLFEULLCDN-PSASIEDQSA-N 1 0 331.398 -1.510 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC001215508122 793958011 /nfs/dbraw/zinc/95/80/11/793958011.db2.gz WSRLGMVUJOXIQZ-VXNVDRBHSA-N 1 0 344.397 -2.147 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215514652 793958388 /nfs/dbraw/zinc/95/83/88/793958388.db2.gz WBPQYXJHHHMJPN-GMTAPVOTSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215514653 793957679 /nfs/dbraw/zinc/95/76/79/793957679.db2.gz WBPQYXJHHHMJPN-OUAUKWLOSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1[NH2+]CC(=O)NC(N)=O 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DPNFAMIBXBFXHW-WISYIIOYSA-N 1 0 326.397 -1.456 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527557 793958418 /nfs/dbraw/zinc/95/84/18/793958418.db2.gz GWAPCUZYQZJUAI-FVCCEPFGSA-N 1 0 340.424 -1.020 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215527565 793958667 /nfs/dbraw/zinc/95/86/67/793958667.db2.gz HGGHTNSJEFYGGV-WISYIIOYSA-N 1 0 347.437 -1.500 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527606 793957390 /nfs/dbraw/zinc/95/73/90/793957390.db2.gz IXNDBCUMNOIXAF-WISYIIOYSA-N 1 0 326.397 -1.408 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215527637 793957750 /nfs/dbraw/zinc/95/77/50/793957750.db2.gz KMDLUCWKWUXOIE-FOUMNBMASA-N 1 0 338.408 -1.266 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1[NH2+]CCOCCO ZINC001215527689 793958017 /nfs/dbraw/zinc/95/80/17/793958017.db2.gz MYCUURXKSPCUOA-FVCCEPFGSA-N 1 0 329.397 -1.535 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215527691 793958853 /nfs/dbraw/zinc/95/88/53/793958853.db2.gz MZMUXUXSTJOKFZ-DOLQZWNJSA-N 1 0 341.368 -2.349 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527781 793958403 /nfs/dbraw/zinc/95/84/03/793958403.db2.gz RAULOFOEGWPCBZ-FVCCEPFGSA-N 1 0 340.424 -1.018 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527826 793957987 /nfs/dbraw/zinc/95/79/87/793957987.db2.gz SWDMZTAWIIFHEQ-FVCCEPFGSA-N 1 0 340.424 -1.066 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215550596 793959511 /nfs/dbraw/zinc/95/95/11/793959511.db2.gz BVRLZDSUNUMGQO-CHWFTXMASA-N 1 0 339.396 -1.610 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215551186 793959127 /nfs/dbraw/zinc/95/91/27/793959127.db2.gz MAUGPGRBISLVPG-CHWFTXMASA-N 1 0 339.396 -1.481 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215551652 793960353 /nfs/dbraw/zinc/96/03/53/793960353.db2.gz VOTFWCAISZAVEP-WISYIIOYSA-N 1 0 346.391 -1.027 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215551791 793959922 /nfs/dbraw/zinc/95/99/22/793959922.db2.gz ZNERLRDSHJSHCA-FVCCEPFGSA-N 1 0 340.424 -1.303 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215554208 793959917 /nfs/dbraw/zinc/95/99/17/793959917.db2.gz FAWZGAMJZHHGHZ-WISYIIOYSA-N 1 0 331.438 -1.021 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215554252 793959253 /nfs/dbraw/zinc/95/92/53/793959253.db2.gz GPLLSGLUHXUPEV-RUZUBIRVSA-N 1 0 340.424 -1.303 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215554321 793959341 /nfs/dbraw/zinc/95/93/41/793959341.db2.gz KKHIHASXDMTMMS-CHWFTXMASA-N 1 0 339.396 -1.658 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215554332 793959483 /nfs/dbraw/zinc/95/94/83/793959483.db2.gz LABNKUZNWRBPGN-FVCCEPFGSA-N 1 0 340.424 -1.303 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215554366 793960078 /nfs/dbraw/zinc/96/00/78/793960078.db2.gz MUBKWIOCPDUMRL-WISYIIOYSA-N 1 0 346.453 -1.564 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215554423 793960247 /nfs/dbraw/zinc/96/02/47/793960247.db2.gz POKGDOWNGGRMSG-DOLQZWNJSA-N 1 0 325.369 -2.000 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215554576 793959285 /nfs/dbraw/zinc/95/92/85/793959285.db2.gz YFGMUZJDMPFMCH-WISYIIOYSA-N 1 0 346.453 -1.516 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215554607 793959876 /nfs/dbraw/zinc/95/98/76/793959876.db2.gz ZWVDYWNXAVCZMW-CHWFTXMASA-N 1 0 332.426 -1.907 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215557740 793960048 /nfs/dbraw/zinc/96/00/48/793960048.db2.gz ATIRTGFTUKAHHR-MWLCHTKSSA-N 1 0 337.384 -1.621 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215568440 793960147 /nfs/dbraw/zinc/96/01/47/793960147.db2.gz PQSBQLHEZAZFDC-GMSGAONNSA-N 1 0 336.352 -1.641 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215578869 793959303 /nfs/dbraw/zinc/95/93/03/793959303.db2.gz ACIPTHBKENEADE-NXEZZACHSA-N 1 0 345.363 -1.026 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C)C(=O)NC(N)=O ZINC001215589021 793959881 /nfs/dbraw/zinc/95/98/81/793959881.db2.gz COTAUOBHAGDAKG-FXPVBKGRSA-N 1 0 337.384 -1.243 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C)C(=O)NC(N)=O ZINC001215589022 793959697 /nfs/dbraw/zinc/95/96/97/793959697.db2.gz COTAUOBHAGDAKG-WCABBAIRSA-N 1 0 337.384 -1.243 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215589059 793960205 /nfs/dbraw/zinc/96/02/05/793960205.db2.gz FDPABIYAPYOPHX-ZYHUDNBSSA-N 1 0 344.441 -1.277 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C ZINC001215602668 793959753 /nfs/dbraw/zinc/95/97/53/793959753.db2.gz JFPVHQUBDJVCCJ-GRYCIOLGSA-N 1 0 335.412 -1.192 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C ZINC001215602669 793959673 /nfs/dbraw/zinc/95/96/73/793959673.db2.gz JFPVHQUBDJVCCJ-IJLUTSLNSA-N 1 0 335.412 -1.192 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001215616369 793960195 /nfs/dbraw/zinc/96/01/95/793960195.db2.gz CLFNFSSDFARBSG-ADEWGFFLSA-N 1 0 341.412 -1.207 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001215616370 793959534 /nfs/dbraw/zinc/95/95/34/793959534.db2.gz CLFNFSSDFARBSG-YUSALJHKSA-N 1 0 341.412 -1.207 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215617040 793959187 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ZINC001215746827 793961107 /nfs/dbraw/zinc/96/11/07/793961107.db2.gz MANYQTQTPXMNLP-ZYHUDNBSSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215747155 793960860 /nfs/dbraw/zinc/96/08/60/793960860.db2.gz ULGYYSKIMZGGLB-RKDXNWHRSA-N 1 0 348.425 -1.559 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC001215750058 793961241 /nfs/dbraw/zinc/96/12/41/793961241.db2.gz BZJWIANHWHBGPJ-MWLCHTKSSA-N 1 0 337.380 -2.120 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC001215750233 793961961 /nfs/dbraw/zinc/96/19/61/793961961.db2.gz HMRWSXUIHQWBJI-GHMZBOCLSA-N 1 0 347.379 -1.927 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1[NH2+]CCCO ZINC001215750461 793960944 /nfs/dbraw/zinc/96/09/44/793960944.db2.gz KNSBNIAUAFZHHO-VXGBXAGGSA-N 1 0 334.380 -1.290 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC001215750688 793961952 /nfs/dbraw/zinc/96/19/52/793961952.db2.gz OOQRSCCQTBAPJC-VXGBXAGGSA-N 1 0 334.380 -1.026 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001215751018 793961678 /nfs/dbraw/zinc/96/16/78/793961678.db2.gz VHQLXYQBRJDGLM-GRYCIOLGSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001215751020 793961505 /nfs/dbraw/zinc/96/15/05/793961505.db2.gz VHQLXYQBRJDGLM-IJLUTSLNSA-N 1 0 331.438 -1.006 20 0 EAADRO C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215755386 793961167 /nfs/dbraw/zinc/96/11/67/793961167.db2.gz URKIGXLVNAHWKT-GRYCIOLGSA-N 1 0 342.396 -1.329 20 0 EAADRO C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215755387 793961708 /nfs/dbraw/zinc/96/17/08/793961708.db2.gz URKIGXLVNAHWKT-IJLUTSLNSA-N 1 0 342.396 -1.329 20 0 EAADRO COCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215758461 793961335 /nfs/dbraw/zinc/96/13/35/793961335.db2.gz BIVVYTAAQMHGNH-GMTAPVOTSA-N 1 0 330.385 -1.331 20 0 EAADRO COCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215758462 793960981 /nfs/dbraw/zinc/96/09/81/793960981.db2.gz BIVVYTAAQMHGNH-OUAUKWLOSA-N 1 0 330.385 -1.331 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1C ZINC001215758926 793961200 /nfs/dbraw/zinc/96/12/00/793961200.db2.gz KTTWQFFHKNOYDI-GRYCIOLGSA-N 1 0 344.412 -1.070 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1C ZINC001215758927 793961855 /nfs/dbraw/zinc/96/18/55/793961855.db2.gz KTTWQFFHKNOYDI-IJLUTSLNSA-N 1 0 344.412 -1.070 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1[NH2+]CCCO ZINC001215763196 793960845 /nfs/dbraw/zinc/96/08/45/793960845.db2.gz GJGRXDCZYVCZQT-NXEZZACHSA-N 1 0 326.353 -1.774 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001215763721 793961636 /nfs/dbraw/zinc/96/16/36/793961636.db2.gz MAIGJZVURYGMIC-GMTAPVOTSA-N 1 0 340.380 -1.122 20 0 EAADRO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001215763723 793961158 /nfs/dbraw/zinc/96/11/58/793961158.db2.gz MAIGJZVURYGMIC-OUAUKWLOSA-N 1 0 340.380 -1.122 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001215764104 793961880 /nfs/dbraw/zinc/96/18/80/793961880.db2.gz QYTHXEVPPMSINC-GHMZBOCLSA-N 1 0 340.380 -1.120 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001215764160 793961025 /nfs/dbraw/zinc/96/10/25/793961025.db2.gz RJIQWRYGWNJTPU-RKDXNWHRSA-N 1 0 339.352 -2.411 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001215764417 793962000 /nfs/dbraw/zinc/96/20/00/793962000.db2.gz VQTDIOHZKLUBCO-NXEZZACHSA-N 1 0 326.353 -1.510 20 0 EAADRO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001215764759 793961037 /nfs/dbraw/zinc/96/10/37/793961037.db2.gz ZIFPBFXBSRAVPP-GMTAPVOTSA-N 1 0 340.380 -1.122 20 0 EAADRO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001215764762 793960897 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BYAAWRMNVZOQLP-ADEWGFFLSA-N 1 0 341.412 -2.061 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)C(N)=O ZINC001215802789 793961815 /nfs/dbraw/zinc/96/18/15/793961815.db2.gz LRICKXKTVJDGRQ-ADEWGFFLSA-N 1 0 341.412 -2.109 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C ZINC001215802800 793961350 /nfs/dbraw/zinc/96/13/50/793961350.db2.gz LZFPRODVIMVGNW-FOUMNBMASA-N 1 0 344.412 -2.190 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C ZINC001215802801 793960884 /nfs/dbraw/zinc/96/08/84/793960884.db2.gz LZFPRODVIMVGNW-LPTSXCQYSA-N 1 0 344.412 -2.190 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)C(N)=O ZINC001215803009 793961136 /nfs/dbraw/zinc/96/11/36/793961136.db2.gz QCLXXRSKXNCLPC-KGYLQXTDSA-N 1 0 344.412 -2.188 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215818088 793961802 /nfs/dbraw/zinc/96/18/02/793961802.db2.gz RXSZYCAOHBLNHJ-NXEZZACHSA-N 1 0 345.363 -1.026 20 0 EAADRO COCC(=O)N[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)C(C)C ZINC001215821032 793960993 /nfs/dbraw/zinc/96/09/93/793960993.db2.gz JKPDMQGBPDREJG-GYSYKLTISA-N 1 0 328.413 -1.305 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C ZINC001215821410 793961259 /nfs/dbraw/zinc/96/12/59/793961259.db2.gz WCTURHFEKFZAST-JMSVASOKSA-N 1 0 342.440 -1.044 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215828908 793961045 /nfs/dbraw/zinc/96/10/45/793961045.db2.gz BRUSHEIGYQQMBU-NXEZZACHSA-N 1 0 327.385 -1.643 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001215828987 793961825 /nfs/dbraw/zinc/96/18/25/793961825.db2.gz DCMNEAXZVVBXEP-CHWSQXEVSA-N 1 0 340.424 -1.240 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001215829067 793961595 /nfs/dbraw/zinc/96/15/95/793961595.db2.gz GXGZEIMNZITRGP-VXGBXAGGSA-N 1 0 325.413 -1.074 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215829347 793961189 /nfs/dbraw/zinc/96/11/89/793961189.db2.gz JVXUWVSDTXAYGV-VXGBXAGGSA-N 1 0 348.469 -1.207 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215829889 793961179 /nfs/dbraw/zinc/96/11/79/793961179.db2.gz SWMDJRZWWMNDTG-HZSPNIEDSA-N 1 0 345.440 -1.075 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215829890 793961914 /nfs/dbraw/zinc/96/19/14/793961914.db2.gz SWMDJRZWWMNDTG-MGPQQGTHSA-N 1 0 345.440 -1.075 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215830179 793961653 /nfs/dbraw/zinc/96/16/53/793961653.db2.gz ZCIYJWGEMLBCJG-GHMZBOCLSA-N 1 0 341.412 -1.253 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215832071 793961933 /nfs/dbraw/zinc/96/19/33/793961933.db2.gz ACKSQUWZVARQEZ-GHMZBOCLSA-N 1 0 348.469 -1.113 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215832117 793962723 /nfs/dbraw/zinc/96/27/23/793962723.db2.gz BFRVHDNYNSIQBK-GHMZBOCLSA-N 1 0 348.469 -1.161 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001215832715 793962381 /nfs/dbraw/zinc/96/23/81/793962381.db2.gz NVJGJQWTGMIOMT-KXUCPTDWSA-N 1 0 334.442 -1.376 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001215832718 793963284 /nfs/dbraw/zinc/96/32/84/793963284.db2.gz NVJGJQWTGMIOMT-OPRDCNLKSA-N 1 0 334.442 -1.376 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215832729 793963113 /nfs/dbraw/zinc/96/31/13/793963113.db2.gz OEFCYMCOOMIGMI-NXEZZACHSA-N 1 0 334.442 -1.503 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215833261 793963048 /nfs/dbraw/zinc/96/30/48/793963048.db2.gz ZSGPYTVMPTVNHX-GMTAPVOTSA-N 1 0 346.453 -1.361 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215833262 793962981 /nfs/dbraw/zinc/96/29/81/793962981.db2.gz ZSGPYTVMPTVNHX-OUAUKWLOSA-N 1 0 346.453 -1.361 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215835669 793962774 /nfs/dbraw/zinc/96/27/74/793962774.db2.gz AEPFCRCBQDMGCJ-GMTAPVOTSA-N 1 0 348.469 -1.115 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215835670 793963179 /nfs/dbraw/zinc/96/31/79/793963179.db2.gz AEPFCRCBQDMGCJ-OUAUKWLOSA-N 1 0 348.469 -1.115 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215835940 793962996 /nfs/dbraw/zinc/96/29/96/793962996.db2.gz JRQBHEFFIZPFQR-GHMZBOCLSA-N 1 0 334.442 -1.550 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215835956 793963165 /nfs/dbraw/zinc/96/31/65/793963165.db2.gz KGAPXHROSOOIJC-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215836188 793963246 /nfs/dbraw/zinc/96/32/46/793963246.db2.gz NPGNGEZARRVDLW-GMTAPVOTSA-N 1 0 341.412 -1.255 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215836190 793963228 /nfs/dbraw/zinc/96/32/28/793963228.db2.gz NPGNGEZARRVDLW-OUAUKWLOSA-N 1 0 341.412 -1.255 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215836334 793963548 /nfs/dbraw/zinc/96/35/48/793963548.db2.gz RQEHNLZZGQMIBX-KXUCPTDWSA-N 1 0 327.385 -1.515 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215836339 793962796 /nfs/dbraw/zinc/96/27/96/793962796.db2.gz RQEHNLZZGQMIBX-OPRDCNLKSA-N 1 0 327.385 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001215836526 793962898 /nfs/dbraw/zinc/96/28/98/793962898.db2.gz XGONKROLZFCRCA-GHMZBOCLSA-N 1 0 339.396 -1.547 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@H]1C ZINC001215840176 793963485 /nfs/dbraw/zinc/96/34/85/793963485.db2.gz JTHWISVQMNPJJY-WZRBSPASSA-N 1 0 348.469 -1.257 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215840442 793963395 /nfs/dbraw/zinc/96/33/95/793963395.db2.gz YBRHGLWHLFJLGE-FOGDFJRCSA-N 1 0 334.442 -1.518 20 0 EAADRO C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1[NH2+]CCCO ZINC001215861997 793963566 /nfs/dbraw/zinc/96/35/66/793963566.db2.gz TWKCBOMIBSOMFQ-CHWSQXEVSA-N 1 0 338.412 -1.002 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001215864937 793962935 /nfs/dbraw/zinc/96/29/35/793962935.db2.gz CHOPLUCMRNCNBP-GMTAPVOTSA-N 1 0 332.426 -1.797 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001215864941 793962753 /nfs/dbraw/zinc/96/27/53/793962753.db2.gz CHOPLUCMRNCNBP-MXWKQRLJSA-N 1 0 332.426 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215865399 793963313 /nfs/dbraw/zinc/96/33/13/793963313.db2.gz PFDAADHYQOKPQX-IJLUTSLNSA-N 1 0 346.453 -1.455 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215865400 793962324 /nfs/dbraw/zinc/96/23/24/793962324.db2.gz PFDAADHYQOKPQX-UTUOFQBUSA-N 1 0 346.453 -1.455 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1[NH2+]CCOCCO ZINC001215865415 793962533 /nfs/dbraw/zinc/96/25/33/793962533.db2.gz PZXRDEFQUFPPNY-JHJVBQTASA-N 1 0 349.453 -1.534 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1[NH2+]CCOCCO ZINC001215865416 793963324 /nfs/dbraw/zinc/96/33/24/793963324.db2.gz PZXRDEFQUFPPNY-UPJWGTAASA-N 1 0 349.453 -1.534 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001215865451 793962617 /nfs/dbraw/zinc/96/26/17/793962617.db2.gz RGJVYZRCWOLJGA-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001215865452 793962345 /nfs/dbraw/zinc/96/23/45/793962345.db2.gz RGJVYZRCWOLJGA-UTUOFQBUSA-N 1 0 346.453 -1.407 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C ZINC001215869135 793963344 /nfs/dbraw/zinc/96/33/44/793963344.db2.gz WNGWGOGAAQOEAS-DZIUIEAZSA-N 1 0 337.380 -1.843 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215877977 793963377 /nfs/dbraw/zinc/96/33/77/793963377.db2.gz AOWNBLKBKRZROJ-GRYCIOLGSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215877978 793962862 /nfs/dbraw/zinc/96/28/62/793962862.db2.gz AOWNBLKBKRZROJ-IJLUTSLNSA-N 1 0 346.453 -1.359 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001215878727 793963188 /nfs/dbraw/zinc/96/31/88/793963188.db2.gz QNLVSHZRHRKPBJ-GMTAPVOTSA-N 1 0 339.396 -1.453 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001215878729 793963591 /nfs/dbraw/zinc/96/35/91/793963591.db2.gz QNLVSHZRHRKPBJ-OUAUKWLOSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215879137 793962546 /nfs/dbraw/zinc/96/25/46/793962546.db2.gz UAWAHORRHXMIAS-KXUCPTDWSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215879139 793963197 /nfs/dbraw/zinc/96/31/97/793963197.db2.gz UAWAHORRHXMIAS-OPRDCNLKSA-N 1 0 325.369 -1.714 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215892507 793963077 /nfs/dbraw/zinc/96/30/77/793963077.db2.gz XSCZCPKZHGVCGN-MWLCHTKSSA-N 1 0 341.412 -1.220 20 0 EAADRO C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215896213 793962672 /nfs/dbraw/zinc/96/26/72/793962672.db2.gz AYLIFJAQIQAEJH-NXEZZACHSA-N 1 0 348.425 -1.557 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215899328 793962632 /nfs/dbraw/zinc/96/26/32/793962632.db2.gz AUBMANOLLFVCRP-MWLCHTKSSA-N 1 0 345.363 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1[NH2+]CCOCCO ZINC001215903728 793963322 /nfs/dbraw/zinc/96/33/22/793963322.db2.gz AHICZKUHTAXESQ-ZYHUDNBSSA-N 1 0 327.381 -1.515 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215903873 793963218 /nfs/dbraw/zinc/96/32/18/793963218.db2.gz HLVVOWIRXFZGHN-VXNVDRBHSA-N 1 0 339.352 -2.329 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215903887 793962364 /nfs/dbraw/zinc/96/23/64/793962364.db2.gz HTILECKFNZFGHG-ZYHUDNBSSA-N 1 0 338.408 -1.046 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215903890 793963452 /nfs/dbraw/zinc/96/34/52/793963452.db2.gz HVMXJUMYUOCUKU-ADEWGFFLSA-N 1 0 327.381 -1.517 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215903891 793962305 /nfs/dbraw/zinc/96/23/05/793962305.db2.gz HVMXJUMYUOCUKU-YUSALJHKSA-N 1 0 327.381 -1.517 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215903918 793962950 /nfs/dbraw/zinc/96/29/50/793962950.db2.gz JHPKWSTWBXFTHL-BXKDBHETSA-N 1 0 336.392 -1.246 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215903968 793963606 /nfs/dbraw/zinc/96/36/06/793963606.db2.gz LRXKHXWRNDBRHT-MWLCHTKSSA-N 1 0 345.421 -1.480 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(=O)N(C)C ZINC001215904309 793962402 /nfs/dbraw/zinc/96/24/02/793962402.db2.gz ZMRHLFCTMLNKHL-CKYFFXLPSA-N 1 0 338.408 -1.048 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(=O)N(C)C ZINC001215904312 793963290 /nfs/dbraw/zinc/96/32/90/793963290.db2.gz ZMRHLFCTMLNKHL-JFGNBEQYSA-N 1 0 338.408 -1.048 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907534 793962920 /nfs/dbraw/zinc/96/29/20/793962920.db2.gz CFDSSYANAKULHS-MWLCHTKSSA-N 1 0 337.384 -1.289 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215907591 793962886 /nfs/dbraw/zinc/96/28/86/793962886.db2.gz FKJAMIYRFRHMDY-ZYHUDNBSSA-N 1 0 344.441 -1.243 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215907592 793963042 /nfs/dbraw/zinc/96/30/42/793963042.db2.gz FVVCIWZEXJRVCD-MWLCHTKSSA-N 1 0 330.414 -1.586 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001215907710 793963093 /nfs/dbraw/zinc/96/30/93/793963093.db2.gz LLZXNESRYNCYPP-ZYHUDNBSSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001215907754 793963057 /nfs/dbraw/zinc/96/30/57/793963057.db2.gz NPAZFIOISVBKOJ-BXKDBHETSA-N 1 0 349.395 -1.147 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907780 793963449 /nfs/dbraw/zinc/96/34/49/793963449.db2.gz ORFRONUURVLNEV-ZYHUDNBSSA-N 1 0 344.441 -1.196 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907911 793963206 /nfs/dbraw/zinc/96/32/06/793963206.db2.gz URPQFRLHMAOOEF-FXPVBKGRSA-N 1 0 337.384 -1.291 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907912 793963298 /nfs/dbraw/zinc/96/32/98/793963298.db2.gz URPQFRLHMAOOEF-WCABBAIRSA-N 1 0 337.384 -1.291 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907964 793962522 /nfs/dbraw/zinc/96/25/22/793962522.db2.gz WGMIXJPSXKQMFS-MBNYWOFBSA-N 1 0 341.412 -1.111 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907965 793962443 /nfs/dbraw/zinc/96/24/43/793962443.db2.gz WGMIXJPSXKQMFS-YRGRVCCFSA-N 1 0 341.412 -1.111 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001215911318 793963335 /nfs/dbraw/zinc/96/33/35/793963335.db2.gz ITMGLNPZCMINDM-NXEZZACHSA-N 1 0 336.396 -1.429 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001215911374 793963326 /nfs/dbraw/zinc/96/33/26/793963326.db2.gz LBEVQEVUJWWPOE-RKDXNWHRSA-N 1 0 325.369 -1.856 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C ZINC001215911395 793963260 /nfs/dbraw/zinc/96/32/60/793963260.db2.gz MHAUJEJYSWJHRI-NXEZZACHSA-N 1 0 339.396 -1.595 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001215912010 793962424 /nfs/dbraw/zinc/96/24/24/793962424.db2.gz YKCFGKITVNVOCY-GHMZBOCLSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001215915513 793963173 /nfs/dbraw/zinc/96/31/73/793963173.db2.gz DZKFOFIZWZQORI-GHMZBOCLSA-N 1 0 346.453 -1.502 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001215915894 793963305 /nfs/dbraw/zinc/96/33/05/793963305.db2.gz RTNGCGLIVHQPKD-VXGBXAGGSA-N 1 0 337.424 -1.026 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001215915926 793962913 /nfs/dbraw/zinc/96/29/13/793962913.db2.gz TUMSNFWNASDVIW-GMTAPVOTSA-N 1 0 336.392 -1.246 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001215915927 793963267 /nfs/dbraw/zinc/96/32/67/793963267.db2.gz TUMSNFWNASDVIW-OUAUKWLOSA-N 1 0 336.392 -1.246 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001215919932 793963384 /nfs/dbraw/zinc/96/33/84/793963384.db2.gz BBBHJYZZZPDUDI-KXUCPTDWSA-N 1 0 339.396 -1.468 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001215919933 793963275 /nfs/dbraw/zinc/96/32/75/793963275.db2.gz BBBHJYZZZPDUDI-OPRDCNLKSA-N 1 0 339.396 -1.468 20 0 EAADRO C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215930338 793962645 /nfs/dbraw/zinc/96/26/45/793962645.db2.gz YRDCUDWCPLFUMF-VXGBXAGGSA-N 1 0 341.412 -1.660 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C ZINC001215940639 793963008 /nfs/dbraw/zinc/96/30/08/793963008.db2.gz YLCYYTAIKHRWFC-GHMZBOCLSA-N 1 0 337.380 -1.891 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001215944570 793963036 /nfs/dbraw/zinc/96/30/36/793963036.db2.gz IMGLSPIUYPNFRZ-KGYLQXTDSA-N 1 0 328.413 -1.425 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001215944571 793962480 /nfs/dbraw/zinc/96/24/80/793962480.db2.gz IMGLSPIUYPNFRZ-RAIGVLPGSA-N 1 0 328.413 -1.425 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C ZINC001215944880 793963471 /nfs/dbraw/zinc/96/34/71/793963471.db2.gz MPGFZCXYVWKAQW-ADEWGFFLSA-N 1 0 341.412 -2.061 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C ZINC001215944881 793962840 /nfs/dbraw/zinc/96/28/40/793962840.db2.gz MPGFZCXYVWKAQW-YUSALJHKSA-N 1 0 341.412 -2.061 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215945225 793962700 /nfs/dbraw/zinc/96/27/00/793962700.db2.gz SERVSIQXNCWAOD-DVVUODLYSA-N 1 0 327.385 -2.322 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215945226 793963507 /nfs/dbraw/zinc/96/35/07/793963507.db2.gz SERVSIQXNCWAOD-FBIMIBRVSA-N 1 0 327.385 -2.322 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C ZINC001215945484 793962513 /nfs/dbraw/zinc/96/25/13/793962513.db2.gz XODMSVLUELBUAW-KGYLQXTDSA-N 1 0 328.413 -1.161 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C ZINC001215945485 793962274 /nfs/dbraw/zinc/96/22/74/793962274.db2.gz XODMSVLUELBUAW-RAIGVLPGSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215948938 793962569 /nfs/dbraw/zinc/96/25/69/793962569.db2.gz KXZUHOOTSXAEFE-PSASIEDQSA-N 1 0 327.385 -1.468 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001215949043 793963241 /nfs/dbraw/zinc/96/32/41/793963241.db2.gz OXTLMJYXBILUDM-ZYHUDNBSSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215949414 793963519 /nfs/dbraw/zinc/96/35/19/793963519.db2.gz XMLRKOFNRAWSMX-FXPVBKGRSA-N 1 0 341.412 -1.079 20 0 EAADRO 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SETGKTRIGUSPJR-NXEZZACHSA-N 1 0 346.409 -1.981 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215965160 793965298 /nfs/dbraw/zinc/96/52/98/793965298.db2.gz STRXKXZSEWYNLH-NXEZZACHSA-N 1 0 325.369 -1.937 20 0 EAADRO COCCOCC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001215965285 793965382 /nfs/dbraw/zinc/96/53/82/793965382.db2.gz WUATVSVMHZHLNG-VXGBXAGGSA-N 1 0 342.396 -1.362 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001215965334 793965592 /nfs/dbraw/zinc/96/55/92/793965592.db2.gz ZJJUFKZJBNMPSE-GHMZBOCLSA-N 1 0 339.396 -1.547 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C ZINC001215981443 793964407 /nfs/dbraw/zinc/96/44/07/793964407.db2.gz FJJWDYLHNFAHSS-DGCLKSJQSA-N 1 0 340.424 -1.288 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C)C(N)=O ZINC001215981643 793965581 /nfs/dbraw/zinc/96/55/81/793965581.db2.gz HJRQRQZBEJHYLB-NQBHXWOUSA-N 1 0 340.424 -1.161 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C)C(N)=O ZINC001215981645 793964293 /nfs/dbraw/zinc/96/42/93/793964293.db2.gz HJRQRQZBEJHYLB-NTZNESFSSA-N 1 0 340.424 -1.161 20 0 EAADRO C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1[NH2+]CC(N)=O ZINC001215982522 793964658 /nfs/dbraw/zinc/96/46/58/793964658.db2.gz WIOVJTOAMZYBTG-ZYHUDNBSSA-N 1 0 326.397 -1.549 20 0 EAADRO C[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215997508 793964630 /nfs/dbraw/zinc/96/46/30/793964630.db2.gz QCAOQUBKBFESCI-RKDXNWHRSA-N 1 0 346.351 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216012075 793964934 /nfs/dbraw/zinc/96/49/34/793964934.db2.gz HHLKEKADXIHTMF-MWLCHTKSSA-N 1 0 345.363 -1.026 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC001216045227 793965655 /nfs/dbraw/zinc/96/56/55/793965655.db2.gz DQFDFQAEHDUASH-LDYMZIIASA-N 1 0 337.380 -1.079 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216049957 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1 0 338.372 -1.917 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216053528 793964649 /nfs/dbraw/zinc/96/46/49/793964649.db2.gz RCDDBHJFGBIEEL-HZSPNIEDSA-N 1 0 348.411 -1.243 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216053529 793965390 /nfs/dbraw/zinc/96/53/90/793965390.db2.gz RCDDBHJFGBIEEL-MGPQQGTHSA-N 1 0 348.411 -1.243 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216065837 793965045 /nfs/dbraw/zinc/96/50/45/793965045.db2.gz UXALZRACGPNJIU-GHMZBOCLSA-N 1 0 329.426 -1.062 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216077207 793965267 /nfs/dbraw/zinc/96/52/67/793965267.db2.gz BNOPXFSTYYJSTD-GMSGAONNSA-N 1 0 336.352 -1.641 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216099627 793964710 /nfs/dbraw/zinc/96/47/10/793964710.db2.gz WBERVAPJCPNDJJ-MWLCHTKSSA-N 1 0 349.395 -1.067 20 0 EAADRO 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ZINC001216109641 793964588 /nfs/dbraw/zinc/96/45/88/793964588.db2.gz WEXPHSXJJAYDNW-WCABBAIRSA-N 1 0 339.396 -1.468 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216109712 793964491 /nfs/dbraw/zinc/96/44/91/793964491.db2.gz ZAUJGPFCHXRLBB-PSASIEDQSA-N 1 0 325.369 -1.856 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001216113598 793965016 /nfs/dbraw/zinc/96/50/16/793965016.db2.gz IIOPFVVKISCVEU-MWLCHTKSSA-N 1 0 339.396 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216113985 793965498 /nfs/dbraw/zinc/96/54/98/793965498.db2.gz RZPBCQPXFCPARB-ZYHUDNBSSA-N 1 0 331.438 -1.006 20 0 EAADRO CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)nn1 ZINC001216118293 793964612 /nfs/dbraw/zinc/96/46/12/793964612.db2.gz OQWAKHKSGQYLNL-NXEZZACHSA-N 1 0 337.384 -1.196 20 0 EAADRO CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001216118935 793965140 /nfs/dbraw/zinc/96/51/40/793965140.db2.gz 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334.442 -1.550 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C ZINC001216152937 793964974 /nfs/dbraw/zinc/96/49/74/793964974.db2.gz DRMFUGZADLCAHC-GRYCIOLGSA-N 1 0 338.412 -1.097 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C ZINC001216152939 793964893 /nfs/dbraw/zinc/96/48/93/793964893.db2.gz DRMFUGZADLCAHC-IJLUTSLNSA-N 1 0 338.412 -1.097 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C)C(N)=O ZINC001216153317 793965701 /nfs/dbraw/zinc/96/57/01/793965701.db2.gz NSMGEHUFVCRHEJ-GRYCIOLGSA-N 1 0 348.469 -1.032 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C)C(N)=O ZINC001216153318 793965372 /nfs/dbraw/zinc/96/53/72/793965372.db2.gz NSMGEHUFVCRHEJ-IJLUTSLNSA-N 1 0 348.469 -1.032 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001216153516 793965449 /nfs/dbraw/zinc/96/54/49/793965449.db2.gz PMKUKHVKCWRHTB-GRYCIOLGSA-N 1 0 348.469 -1.161 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001216153517 793965313 /nfs/dbraw/zinc/96/53/13/793965313.db2.gz PMKUKHVKCWRHTB-IJLUTSLNSA-N 1 0 348.469 -1.161 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001216153530 793965616 /nfs/dbraw/zinc/96/56/16/793965616.db2.gz PZLJOHYYRAOEDU-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001216153531 793964987 /nfs/dbraw/zinc/96/49/87/793964987.db2.gz PZLJOHYYRAOEDU-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001216153946 793964183 /nfs/dbraw/zinc/96/41/83/793964183.db2.gz XMIVAALOELYGRQ-BCMRRPTOSA-N 1 0 338.368 -1.060 20 0 EAADRO Cc1nonc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001216153949 793964747 /nfs/dbraw/zinc/96/47/47/793964747.db2.gz XMIVAALOELYGRQ-POZPLHJXSA-N 1 0 338.368 -1.060 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216154017 793965069 /nfs/dbraw/zinc/96/50/69/793965069.db2.gz YVLMYYXRCGXPFG-VXGBXAGGSA-N 1 0 348.469 -1.207 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C ZINC001216154019 793964552 /nfs/dbraw/zinc/96/45/52/793964552.db2.gz YVPOPFNNWAOYSD-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216156815 793964472 /nfs/dbraw/zinc/96/44/72/793964472.db2.gz CEGJHZJIVHMQGK-VXGBXAGGSA-N 1 0 338.412 -1.144 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001216156835 793965647 /nfs/dbraw/zinc/96/56/47/793965647.db2.gz CZLKHNBEUAFLJO-GRYCIOLGSA-N 1 0 336.396 -1.343 20 0 EAADRO C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001216156836 793965223 /nfs/dbraw/zinc/96/52/23/793965223.db2.gz CZLKHNBEUAFLJO-IJLUTSLNSA-N 1 0 336.396 -1.343 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C ZINC001216156875 793965631 /nfs/dbraw/zinc/96/56/31/793965631.db2.gz FJXMFLIIDSBBFD-FRRDWIJNSA-N 1 0 341.412 -1.225 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C ZINC001216156876 793964583 /nfs/dbraw/zinc/96/45/83/793964583.db2.gz FJXMFLIIDSBBFD-JHJVBQTASA-N 1 0 341.412 -1.225 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C ZINC001216157565 793965192 /nfs/dbraw/zinc/96/51/92/793965192.db2.gz UCLDZSIALVJPTD-VXGBXAGGSA-N 1 0 338.412 -1.096 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C ZINC001216161263 793964566 /nfs/dbraw/zinc/96/45/66/793964566.db2.gz IQQMXPQQHAWUGN-GRYCIOLGSA-N 1 0 338.412 -1.097 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C ZINC001216161264 793964605 /nfs/dbraw/zinc/96/46/05/793964605.db2.gz IQQMXPQQHAWUGN-IJLUTSLNSA-N 1 0 338.412 -1.097 20 0 EAADRO COc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)cn1 ZINC001216184863 793967494 /nfs/dbraw/zinc/96/74/94/793967494.db2.gz AYADWJIKNXMRKS-PSASIEDQSA-N 1 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C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216233954 793967546 /nfs/dbraw/zinc/96/75/46/793967546.db2.gz GQMZDKGTQDGIIN-GHMZBOCLSA-N 1 0 339.396 -1.547 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC001216234646 793966995 /nfs/dbraw/zinc/96/69/95/793966995.db2.gz RACBYCZZIOEWDH-NXEZZACHSA-N 1 0 325.369 -1.889 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC001216234874 793966158 /nfs/dbraw/zinc/96/61/58/793966158.db2.gz VLBULKYGMVQCNP-GMTAPVOTSA-N 1 0 339.396 -1.501 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC001216234876 793966411 /nfs/dbraw/zinc/96/64/11/793966411.db2.gz VLBULKYGMVQCNP-OUAUKWLOSA-N 1 0 339.396 -1.501 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC001216235014 793966711 /nfs/dbraw/zinc/96/67/11/793966711.db2.gz YMCVUHUXPOINBE-GRYCIOLGSA-N 1 0 342.396 -1.628 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 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CVDJFTYNOUHPHK-GRYCIOLGSA-N 1 0 341.391 -1.026 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC001216279637 793966587 /nfs/dbraw/zinc/96/65/87/793966587.db2.gz DWHALVHYEMCNAV-OUAUKWLOSA-N 1 0 327.364 -1.416 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001216280151 793967046 /nfs/dbraw/zinc/96/70/46/793967046.db2.gz PTYBJFVMOAYCEY-GRYCIOLGSA-N 1 0 339.400 -2.003 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001216280295 793967350 /nfs/dbraw/zinc/96/73/50/793967350.db2.gz SJSHIXUEPAWNBL-KXUCPTDWSA-N 1 0 338.372 -2.900 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216284227 793966540 /nfs/dbraw/zinc/96/65/40/793966540.db2.gz IFFGXZHJSFIQCE-GHMZBOCLSA-N 1 0 330.385 -1.329 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1C ZINC001216284687 793966235 /nfs/dbraw/zinc/96/62/35/793966235.db2.gz QOVUYDJQLRJOOJ-VXGBXAGGSA-N 1 0 344.412 -1.068 20 0 EAADRO C[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216294653 793967201 /nfs/dbraw/zinc/96/72/01/793967201.db2.gz HHETXJCYBVLMAC-MWLCHTKSSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001216299769 793966038 /nfs/dbraw/zinc/96/60/38/793966038.db2.gz VDTPWEWHKBFFDD-GMTAPVOTSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216299772 793967114 /nfs/dbraw/zinc/96/71/14/793967114.db2.gz VDTPWEWHKBFFDD-HBNTYKKESA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216305912 793966394 /nfs/dbraw/zinc/96/63/94/793966394.db2.gz BOSXWPUQSBCNJH-NXEZZACHSA-N 1 0 327.385 -1.337 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C ZINC001216307014 793967315 /nfs/dbraw/zinc/96/73/15/793967315.db2.gz XPGHZJHETRWSJE-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216309738 793967367 /nfs/dbraw/zinc/96/73/67/793967367.db2.gz BAIUAYKYDFKXNS-NXEZZACHSA-N 1 0 330.414 -1.667 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001216309791 793966101 /nfs/dbraw/zinc/96/61/01/793966101.db2.gz DWAVXLQFWSQQCH-MWLCHTKSSA-N 1 0 349.395 -1.228 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216309817 793966907 /nfs/dbraw/zinc/96/69/07/793966907.db2.gz FXVBFRYFWKDACD-DGCLKSJQSA-N 1 0 338.412 -1.064 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001216310028 793967454 /nfs/dbraw/zinc/96/74/54/793967454.db2.gz KFQBMZBAGSFXEK-GHMZBOCLSA-N 1 0 349.395 -1.274 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216310103 793966135 /nfs/dbraw/zinc/96/61/35/793966135.db2.gz NAKRAGKASBAJBD-NXEZZACHSA-N 1 0 337.384 -1.371 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216310112 793966446 /nfs/dbraw/zinc/96/64/46/793966446.db2.gz NGUHLXACFFFABL-VXGBXAGGSA-N 1 0 338.412 -1.064 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216310406 793966267 /nfs/dbraw/zinc/96/62/67/793966267.db2.gz SKQJTBKCFUVXPZ-GHMZBOCLSA-N 1 0 344.441 -1.277 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216310410 793966332 /nfs/dbraw/zinc/96/63/32/793966332.db2.gz SMOCBZNPYPJPQS-GHMZBOCLSA-N 1 0 344.441 -1.325 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216310849 793966677 /nfs/dbraw/zinc/96/66/77/793966677.db2.gz ZMGZGWRYOVSBLE-FRRDWIJNSA-N 1 0 341.412 -1.192 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216310854 793966836 /nfs/dbraw/zinc/96/68/36/793966836.db2.gz ZMGZGWRYOVSBLE-JHJVBQTASA-N 1 0 341.412 -1.192 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216314236 793966639 /nfs/dbraw/zinc/96/66/39/793966639.db2.gz LCTQBMCBKDWONJ-KXUCPTDWSA-N 1 0 337.384 -1.372 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216314237 793966722 /nfs/dbraw/zinc/96/67/22/793966722.db2.gz LCTQBMCBKDWONJ-OPRDCNLKSA-N 1 0 337.384 -1.372 20 0 EAADRO COCCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001216323818 793967471 /nfs/dbraw/zinc/96/74/71/793967471.db2.gz KMGOOYYHEZCKPB-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC001216327419 793967508 /nfs/dbraw/zinc/96/75/08/793967508.db2.gz SEHJTAMGMKZUKH-VXGBXAGGSA-N 1 0 338.412 -1.064 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216332762 793966424 /nfs/dbraw/zinc/96/64/24/793966424.db2.gz VXPRQJLQUVPVCE-NXEZZACHSA-N 1 0 339.396 -1.514 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216370006 793966886 /nfs/dbraw/zinc/96/68/86/793966886.db2.gz FVVMCKHDKTUEDC-GHMZBOCLSA-N 1 0 339.396 -1.595 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001216370091 793966656 /nfs/dbraw/zinc/96/66/56/793966656.db2.gz JMMDNGWVDNLMEN-GHMZBOCLSA-N 1 0 339.396 -1.547 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001216370338 793967445 /nfs/dbraw/zinc/96/74/45/793967445.db2.gz QMMRLEQVPKCMEY-GMTAPVOTSA-N 1 0 339.396 -1.549 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001216370339 793967501 /nfs/dbraw/zinc/96/75/01/793967501.db2.gz QMMRLEQVPKCMEY-OUAUKWLOSA-N 1 0 339.396 -1.549 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001216370382 793966012 /nfs/dbraw/zinc/96/60/12/793966012.db2.gz REIJFYNYGTXEOY-NXEZZACHSA-N 1 0 325.369 -1.937 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001216370420 793967131 /nfs/dbraw/zinc/96/71/31/793967131.db2.gz TUTHYBAJVOOBCZ-GRYCIOLGSA-N 1 0 342.396 -1.676 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001216370422 793965993 /nfs/dbraw/zinc/96/59/93/793965993.db2.gz TUTHYBAJVOOBCZ-IJLUTSLNSA-N 1 0 342.396 -1.676 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1[NH2+]CCOCCO ZINC001216370676 793967390 /nfs/dbraw/zinc/96/73/90/793967390.db2.gz ZLUOIPGNGLPFFF-VXGBXAGGSA-N 1 0 342.396 -1.674 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C ZINC001216374140 793967416 /nfs/dbraw/zinc/96/74/16/793967416.db2.gz AYMDUVWGOVCPFN-HTQZYQBOSA-N 1 0 339.352 -1.308 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216374988 793966783 /nfs/dbraw/zinc/96/67/83/793966783.db2.gz SRVIWUWVKYNUSE-KBVBSXBZSA-N 1 0 349.395 -1.459 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216374989 793967428 /nfs/dbraw/zinc/96/74/28/793967428.db2.gz SRVIWUWVKYNUSE-VDDIYKPWSA-N 1 0 349.395 -1.459 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001216383032 793967938 /nfs/dbraw/zinc/96/79/38/793967938.db2.gz GUJUCIZKXPVDON-ZYHUDNBSSA-N 1 0 336.396 -1.145 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216392381 793967783 /nfs/dbraw/zinc/96/77/83/793967783.db2.gz BOYHIGQDTLKTOD-DGCLKSJQSA-N 1 0 343.453 -1.052 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001216393199 793968224 /nfs/dbraw/zinc/96/82/24/793968224.db2.gz ZFDARXBEJGGTGC-CKYFFXLPSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001216393201 793968967 /nfs/dbraw/zinc/96/89/67/793968967.db2.gz ZFDARXBEJGGTGC-JFGNBEQYSA-N 1 0 336.396 -1.018 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCc1nnnn1C ZINC001216401618 793968576 /nfs/dbraw/zinc/96/85/76/793968576.db2.gz OFSIAKRWYBFTOS-VXGBXAGGSA-N 1 0 325.417 -1.275 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCc1nnn(C)n1 ZINC001216401860 793969151 /nfs/dbraw/zinc/96/91/51/793969151.db2.gz PQOXZFMDSRIHHD-VXGBXAGGSA-N 1 0 325.417 -1.275 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216417464 793968749 /nfs/dbraw/zinc/96/87/49/793968749.db2.gz HFQGUPUUCQTYIU-MWLCHTKSSA-N 1 0 349.395 -1.212 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216431610 793969171 /nfs/dbraw/zinc/96/91/71/793969171.db2.gz FQUJEWCPMUNWNE-GHMZBOCLSA-N 1 0 341.412 -1.124 20 0 EAADRO CCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216431747 793968936 /nfs/dbraw/zinc/96/89/36/793968936.db2.gz KANPDBQSXYRAHQ-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216435391 793968466 /nfs/dbraw/zinc/96/84/66/793968466.db2.gz FRUCBMJPXUGVKX-MWLCHTKSSA-N 1 0 335.364 -1.370 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C ZINC001216435781 793968395 /nfs/dbraw/zinc/96/83/95/793968395.db2.gz MDZQLBZHGQFJCC-ZYHUDNBSSA-N 1 0 349.391 -1.109 20 0 EAADRO CCNC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216443933 793968627 /nfs/dbraw/zinc/96/86/27/793968627.db2.gz HTLSNHOBARPDNP-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216455473 793969164 /nfs/dbraw/zinc/96/91/64/793969164.db2.gz BNCHVZXFJIKDON-KWCYVHTRSA-N 1 0 340.424 -1.146 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216455508 793968705 /nfs/dbraw/zinc/96/87/05/793968705.db2.gz DEHFMKVVFNKAQJ-KXUCPTDWSA-N 1 0 325.369 -1.843 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216455904 793969221 /nfs/dbraw/zinc/96/92/21/793969221.db2.gz OUCRUAJFIXAZAL-FRRDWIJNSA-N 1 0 340.424 -1.146 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216456047 793967864 /nfs/dbraw/zinc/96/78/64/793967864.db2.gz QABMRRHMCRJPDI-FRRDWIJNSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216456103 793968154 /nfs/dbraw/zinc/96/81/54/793968154.db2.gz QYJVMIMOYPQBEH-JLLWLGSASA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216456134 793968315 /nfs/dbraw/zinc/96/83/15/793968315.db2.gz RNCMRTXUCVPBFU-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216456446 793968334 /nfs/dbraw/zinc/96/83/34/793968334.db2.gz ZSVVDNVNZLQTFL-OUAUKWLOSA-N 1 0 339.396 -1.453 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216459016 793968588 /nfs/dbraw/zinc/96/85/88/793968588.db2.gz MSRXJBWIDRIUMJ-GRYCIOLGSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216459546 793968989 /nfs/dbraw/zinc/96/89/89/793968989.db2.gz YFCAHMDMJAUKEP-OUAUKWLOSA-N 1 0 332.426 -1.749 20 0 EAADRO Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCO)C2)n1 ZINC001216486820 793968210 /nfs/dbraw/zinc/96/82/10/793968210.db2.gz BSYZNHDMLOMPOY-TZMCWYRMSA-N 1 0 338.408 -1.003 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C ZINC001216487083 793969112 /nfs/dbraw/zinc/96/91/12/793969112.db2.gz LTGWHNBVRYEYCN-KWCYVHTRSA-N 1 0 338.408 -1.004 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C ZINC001216487084 793968389 /nfs/dbraw/zinc/96/83/89/793968389.db2.gz LTGWHNBVRYEYCN-MRVWCRGKSA-N 1 0 338.408 -1.004 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001216502634 793968905 /nfs/dbraw/zinc/96/89/05/793968905.db2.gz GFLITXIIAHZZIZ-NXEZZACHSA-N 1 0 339.396 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216551089 793968436 /nfs/dbraw/zinc/96/84/36/793968436.db2.gz LUTNXHPMYZXCQP-PSASIEDQSA-N 1 0 333.352 -1.093 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C ZINC001216561362 793967899 /nfs/dbraw/zinc/96/78/99/793967899.db2.gz UIEXKDVLKNFCKG-GYSYKLTISA-N 1 0 346.453 -1.359 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C ZINC001216561363 793968521 /nfs/dbraw/zinc/96/85/21/793968521.db2.gz UIEXKDVLKNFCKG-JTNHKYCSSA-N 1 0 346.453 -1.359 20 0 EAADRO COc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)cnn1C ZINC001216573524 793968360 /nfs/dbraw/zinc/96/83/60/793968360.db2.gz MSQUUKCZXRRGRH-PSASIEDQSA-N 1 0 338.368 -1.326 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216573736 793968251 /nfs/dbraw/zinc/96/82/51/793968251.db2.gz SBIYTMRKYXFPTE-OPRDCNLKSA-N 1 0 342.400 -1.545 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001216580315 793968835 /nfs/dbraw/zinc/96/88/35/793968835.db2.gz KWGZEPRTSRAATN-GHMZBOCLSA-N 1 0 334.442 -1.372 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001216580716 793967749 /nfs/dbraw/zinc/96/77/49/793967749.db2.gz PTPPMNBRRJZLRM-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)N(C)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 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RYGIGSYOTXYRCZ-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1[NH2+]Cc1cnnn1C ZINC001216618578 793969557 /nfs/dbraw/zinc/96/95/57/793969557.db2.gz SXEITNLRMXJXBT-ZYHUDNBSSA-N 1 0 344.441 -1.357 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001216618625 793970621 /nfs/dbraw/zinc/97/06/21/793970621.db2.gz VXXCEGPSDAUQSU-VXGBXAGGSA-N 1 0 346.453 -1.453 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001216622789 793969581 /nfs/dbraw/zinc/96/95/81/793969581.db2.gz HNDSYCOOUGQEAR-GRYCIOLGSA-N 1 0 337.442 -1.678 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001216626399 793969848 /nfs/dbraw/zinc/96/98/48/793969848.db2.gz CQMUWIBOKNGXFD-BPLDGKMQSA-N 1 0 343.424 -1.321 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001216626400 793970103 /nfs/dbraw/zinc/97/01/03/793970103.db2.gz CQMUWIBOKNGXFD-YUELXQCFSA-N 1 0 343.424 -1.321 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001216626544 793969976 /nfs/dbraw/zinc/96/99/76/793969976.db2.gz GRJOGSGAIRHCJZ-BNOWGMLFSA-N 1 0 340.424 -1.242 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001216626561 793970181 /nfs/dbraw/zinc/97/01/81/793970181.db2.gz GRJOGSGAIRHCJZ-MRVWCRGKSA-N 1 0 340.424 -1.242 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C2)c(=O)n1C ZINC001216626655 793970417 /nfs/dbraw/zinc/97/04/17/793970417.db2.gz KBNYVFHPDCKKNE-ZYHUDNBSSA-N 1 0 338.412 -1.585 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C ZINC001216626782 793970879 /nfs/dbraw/zinc/97/08/79/793970879.db2.gz LFFZJRXOVBSLKF-BNOWGMLFSA-N 1 0 340.424 -1.194 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C ZINC001216626783 793970762 /nfs/dbraw/zinc/97/07/62/793970762.db2.gz LFFZJRXOVBSLKF-MRVWCRGKSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C ZINC001216626796 793969789 /nfs/dbraw/zinc/96/97/89/793969789.db2.gz LXFWDWPFURDCPX-RAIGVLPGSA-N 1 0 326.397 -1.584 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C ZINC001216626799 793970687 /nfs/dbraw/zinc/97/06/87/793970687.db2.gz LXFWDWPFURDCPX-RTXFEEFZSA-N 1 0 326.397 -1.584 20 0 EAADRO C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216626811 793969806 /nfs/dbraw/zinc/96/98/06/793969806.db2.gz MEBKJDOBVGRDAA-ZYHUDNBSSA-N 1 0 336.396 -1.016 20 0 EAADRO Cc1nn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCO)C2)c(=O)n1C ZINC001216630667 793970581 /nfs/dbraw/zinc/97/05/81/793970581.db2.gz LVJBUUWJNFJUSI-DGCLKSJQSA-N 1 0 341.412 -1.664 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC001216630676 793970495 /nfs/dbraw/zinc/97/04/95/793970495.db2.gz MQFOGKKXCPLYTD-CKYFFXLPSA-N 1 0 338.412 -1.539 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 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C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001216715882 793972116 /nfs/dbraw/zinc/97/21/16/793972116.db2.gz XNOMNWSRUBOSCX-RKDXNWHRSA-N 1 0 325.373 -1.897 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216716532 793972212 /nfs/dbraw/zinc/97/22/12/793972212.db2.gz BSOCPKWRTUWOEA-NXEZZACHSA-N 1 0 334.380 -1.286 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001216716539 793972032 /nfs/dbraw/zinc/97/20/32/793972032.db2.gz BTSNVHWMOKMETA-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC001216716579 793971547 /nfs/dbraw/zinc/97/15/47/793971547.db2.gz CPVRSPAFWLNFTP-NXEZZACHSA-N 1 0 334.380 -1.238 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1[NH2+]CCOCCO ZINC001216716620 793972244 /nfs/dbraw/zinc/97/22/44/793972244.db2.gz DOHLUNBKMGFVAW-GHMZBOCLSA-N 1 0 337.380 -1.366 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC001216716812 793971856 /nfs/dbraw/zinc/97/18/56/793971856.db2.gz IWGOJHUKFICIND-KXUCPTDWSA-N 1 0 334.380 -1.240 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC001216716813 793971818 /nfs/dbraw/zinc/97/18/18/793971818.db2.gz IWGOJHUKFICIND-OPRDCNLKSA-N 1 0 334.380 -1.240 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001216716878 793972172 /nfs/dbraw/zinc/97/21/72/793972172.db2.gz JUVHZRNLOLTOSW-HRDYMLBCSA-N 1 0 328.373 -1.935 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001216716881 793972024 /nfs/dbraw/zinc/97/20/24/793972024.db2.gz JUVHZRNLOLTOSW-IWSPIJDZSA-N 1 0 328.373 -1.935 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001216716901 793971900 /nfs/dbraw/zinc/97/19/00/793971900.db2.gz KBCXRDDOCFUTEW-GRYCIOLGSA-N 1 0 327.381 -1.421 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001216716904 793971733 /nfs/dbraw/zinc/97/17/33/793971733.db2.gz KBCXRDDOCFUTEW-IJLUTSLNSA-N 1 0 327.381 -1.421 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216717196 793972097 /nfs/dbraw/zinc/97/20/97/793972097.db2.gz NSRYPTHPCZIMLA-MWLCHTKSSA-N 1 0 346.391 -1.096 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216717200 793971672 /nfs/dbraw/zinc/97/16/72/793971672.db2.gz NVQYZGXBBRHCGR-FRRDWIJNSA-N 1 0 338.412 -1.261 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216717201 793972497 /nfs/dbraw/zinc/97/24/97/793972497.db2.gz NVQYZGXBBRHCGR-JHJVBQTASA-N 1 0 338.412 -1.261 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1[NH2+]CCOCCO ZINC001216717204 793972513 /nfs/dbraw/zinc/97/25/13/793972513.db2.gz NXVQWGFZSWERPY-VXGBXAGGSA-N 1 0 327.381 -1.419 20 0 EAADRO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216717206 793971719 /nfs/dbraw/zinc/97/17/19/793971719.db2.gz OAOBCIFZOZFOFS-HTQZYQBOSA-N 1 0 349.351 -2.180 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216717231 793972423 /nfs/dbraw/zinc/97/24/23/793972423.db2.gz OGVDAZVWPDGZPD-GHMZBOCLSA-N 1 0 345.421 -1.384 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216717585 793972270 /nfs/dbraw/zinc/97/22/70/793972270.db2.gz RKLUPLZWVLGPQV-RKDXNWHRSA-N 1 0 339.352 -2.233 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC001216717624 793972052 /nfs/dbraw/zinc/97/20/52/793972052.db2.gz SOUNUESMLUKLQH-GMTAPVOTSA-N 1 0 337.380 -1.367 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC001216717625 793971745 /nfs/dbraw/zinc/97/17/45/793971745.db2.gz SOUNUESMLUKLQH-OUAUKWLOSA-N 1 0 337.380 -1.367 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216717734 793971774 /nfs/dbraw/zinc/97/17/74/793971774.db2.gz WCBBZPCCWPZJGF-ZYHUDNBSSA-N 1 0 336.392 -1.150 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1C ZINC001216719445 793971528 /nfs/dbraw/zinc/97/15/28/793971528.db2.gz HFDNHYMCEULOLY-ZYHUDNBSSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216721306 793971443 /nfs/dbraw/zinc/97/14/43/793971443.db2.gz PHJYYNPSBGKZMS-GHMZBOCLSA-N 1 0 349.457 -1.627 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001216721435 793972522 /nfs/dbraw/zinc/97/25/22/793972522.db2.gz VDPSEJSOVQTASG-KXUCPTDWSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001216721436 793972045 /nfs/dbraw/zinc/97/20/45/793972045.db2.gz VDPSEJSOVQTASG-OPRDCNLKSA-N 1 0 325.369 -1.714 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216722780 793972260 /nfs/dbraw/zinc/97/22/60/793972260.db2.gz BQGGNNZUYAZXEY-GHMZBOCLSA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001216722782 793971359 /nfs/dbraw/zinc/97/13/59/793971359.db2.gz BSCFQZKSFORGHQ-NXEZZACHSA-N 1 0 340.384 -1.967 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216722819 793971701 /nfs/dbraw/zinc/97/17/01/793971701.db2.gz DENRSWKXVQUQNC-KXUCPTDWSA-N 1 0 342.400 -1.675 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216722820 793972227 /nfs/dbraw/zinc/97/22/27/793972227.db2.gz DENRSWKXVQUQNC-OPRDCNLKSA-N 1 0 342.400 -1.675 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001216722846 793972470 /nfs/dbraw/zinc/97/24/70/793972470.db2.gz FIWGSOKFWXSDNU-GRYCIOLGSA-N 1 0 346.453 -1.084 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001216722847 793972342 /nfs/dbraw/zinc/97/23/42/793972342.db2.gz FIWGSOKFWXSDNU-IJLUTSLNSA-N 1 0 346.453 -1.084 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216722911 793971432 /nfs/dbraw/zinc/97/14/32/793971432.db2.gz HVONYZBGSYHUMM-FRRDWIJNSA-N 1 0 346.428 -1.495 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216722912 793971983 /nfs/dbraw/zinc/97/19/83/793971983.db2.gz HVONYZBGSYHUMM-JHJVBQTASA-N 1 0 346.428 -1.495 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216723012 793971757 /nfs/dbraw/zinc/97/17/57/793971757.db2.gz MVIWZOQQKJTOGQ-GHMZBOCLSA-N 1 0 349.457 -1.579 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216723090 793972082 /nfs/dbraw/zinc/97/20/82/793972082.db2.gz PTNAQLHMMPCHLY-NXEZZACHSA-N 1 0 335.430 -1.970 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216723289 793971413 /nfs/dbraw/zinc/97/14/13/793971413.db2.gz VAJJZVFTEBQXCS-DGCLKSJQSA-N 1 0 343.428 -1.366 20 0 EAADRO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001216723320 793972331 /nfs/dbraw/zinc/97/23/31/793972331.db2.gz WKXYEEUXUXHHCF-GHMZBOCLSA-N 1 0 326.401 -1.494 20 0 EAADRO C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1[NH2+]CC(N)=O ZINC001216724529 793971180 /nfs/dbraw/zinc/97/11/80/793971180.db2.gz AQQBGCSQQLXUCV-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001216724730 793972008 /nfs/dbraw/zinc/97/20/08/793972008.db2.gz LTQCEWCEVJOZQS-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001216724937 793971927 /nfs/dbraw/zinc/97/19/27/793971927.db2.gz XJJBBNDJUNEDRF-GMTAPVOTSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C)C(N)=O ZINC001216724938 793971252 /nfs/dbraw/zinc/97/12/52/793971252.db2.gz XJJBBNDJUNEDRF-OUAUKWLOSA-N 1 0 339.396 -1.371 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216726130 793971872 /nfs/dbraw/zinc/97/18/72/793971872.db2.gz JJBBQOALWTXYFP-GHMZBOCLSA-N 1 0 335.364 -1.520 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C ZINC001216726467 793972384 /nfs/dbraw/zinc/97/23/84/793972384.db2.gz RERJMGDOCPIOLH-VXGBXAGGSA-N 1 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CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C ZINC001216742687 793972037 /nfs/dbraw/zinc/97/20/37/793972037.db2.gz KFKXNUUEXIGFIS-MWLCHTKSSA-N 1 0 337.380 -1.328 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216742884 793972301 /nfs/dbraw/zinc/97/23/01/793972301.db2.gz UVCGUPVWHBDCMW-MWLCHTKSSA-N 1 0 337.380 -1.376 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1[NH2+]CCOCCO ZINC001216742942 793972192 /nfs/dbraw/zinc/97/21/92/793972192.db2.gz XQCYRFKUBREXNT-ZYHUDNBSSA-N 1 0 340.380 -1.455 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C ZINC001216742951 793972442 /nfs/dbraw/zinc/97/24/42/793972442.db2.gz XXBMUXKYFKDRHB-FXPVBKGRSA-N 1 0 337.380 -1.330 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C ZINC001216742952 793971966 /nfs/dbraw/zinc/97/19/66/793971966.db2.gz XXBMUXKYFKDRHB-WCABBAIRSA-N 1 0 337.380 -1.330 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216742985 793971274 /nfs/dbraw/zinc/97/12/74/793971274.db2.gz ZBYKIIKTSZFALL-BXKDBHETSA-N 1 0 349.391 -1.185 20 0 EAADRO C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1[NH2+]CCCO ZINC001216745262 793971988 /nfs/dbraw/zinc/97/19/88/793971988.db2.gz CQFSPXLAUBKCAT-CHWSQXEVSA-N 1 0 333.454 -1.464 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC001216745343 793971682 /nfs/dbraw/zinc/97/16/82/793971682.db2.gz HFYIJGKSBMECMJ-CHWSQXEVSA-N 1 0 333.454 -1.200 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC001216745345 793972018 /nfs/dbraw/zinc/97/20/18/793972018.db2.gz HRXSAUNYWCRSOP-VXGBXAGGSA-N 1 0 346.453 -2.101 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C ZINC001216752354 793971365 /nfs/dbraw/zinc/97/13/65/793971365.db2.gz LBRBAYZZSWYQMY-GHMZBOCLSA-N 1 0 331.380 -1.151 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216759538 793971617 /nfs/dbraw/zinc/97/16/17/793971617.db2.gz NOHGFPFZPQDUMJ-GMSGAONNSA-N 1 0 336.352 -1.641 20 0 EAADRO COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766476 793971688 /nfs/dbraw/zinc/97/16/88/793971688.db2.gz DHIVDUUMCLLGHO-FRRDWIJNSA-N 1 0 349.453 -1.222 20 0 EAADRO COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766478 793972145 /nfs/dbraw/zinc/97/21/45/793972145.db2.gz DHIVDUUMCLLGHO-JHJVBQTASA-N 1 0 349.453 -1.222 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216766580 793972371 /nfs/dbraw/zinc/97/23/71/793972371.db2.gz GGAVMARZZRGBSR-ADEWGFFLSA-N 1 0 344.437 -1.607 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216766581 793971908 /nfs/dbraw/zinc/97/19/08/793971908.db2.gz GGAVMARZZRGBSR-YUSALJHKSA-N 1 0 344.437 -1.607 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766745 793972454 /nfs/dbraw/zinc/97/24/54/793972454.db2.gz JHXXZGXHFNRIQT-GMTAPVOTSA-N 1 0 332.426 -1.749 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766746 793973236 /nfs/dbraw/zinc/97/32/36/793973236.db2.gz JHXXZGXHFNRIQT-OUAUKWLOSA-N 1 0 332.426 -1.749 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766781 793973498 /nfs/dbraw/zinc/97/34/98/793973498.db2.gz LAJGICKWUALEHN-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766782 793973724 /nfs/dbraw/zinc/97/37/24/793973724.db2.gz LAJGICKWUALEHN-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216766861 793974111 /nfs/dbraw/zinc/97/41/11/793974111.db2.gz NPZSMNDESNWEOO-GMTAPVOTSA-N 1 0 332.426 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216766862 793973692 /nfs/dbraw/zinc/97/36/92/793973692.db2.gz NPZSMNDESNWEOO-OUAUKWLOSA-N 1 0 332.426 -1.797 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216766865 793973923 /nfs/dbraw/zinc/97/39/23/793973923.db2.gz NRBUBYFRMBFJBK-HRDYMLBCSA-N 1 0 347.397 -2.691 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216766869 793973876 /nfs/dbraw/zinc/97/38/76/793973876.db2.gz NRBUBYFRMBFJBK-IWSPIJDZSA-N 1 0 347.397 -2.691 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766949 793973318 /nfs/dbraw/zinc/97/33/18/793973318.db2.gz PHMQLANTXRZJPG-GRYCIOLGSA-N 1 0 346.453 -1.361 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216766951 793973036 /nfs/dbraw/zinc/97/30/36/793973036.db2.gz PHMQLANTXRZJPG-IJLUTSLNSA-N 1 0 346.453 -1.361 20 0 EAADRO C[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216767060 793973806 /nfs/dbraw/zinc/97/38/06/793973806.db2.gz SGTHPBDKCVPSGN-LDYMZIIASA-N 1 0 348.363 -1.575 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216767313 793973115 /nfs/dbraw/zinc/97/31/15/793973115.db2.gz YKKKXCHDMBMFRQ-GRYCIOLGSA-N 1 0 346.453 -1.359 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001216767315 793973082 /nfs/dbraw/zinc/97/30/82/793973082.db2.gz YKKKXCHDMBMFRQ-IJLUTSLNSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CCOCCO ZINC001216767449 793973130 /nfs/dbraw/zinc/97/31/30/793973130.db2.gz ZWAIHRFRJJOFSI-GRYCIOLGSA-N 1 0 335.426 -1.877 20 0 EAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1[NH2+]CCOCCO ZINC001216767450 793973148 /nfs/dbraw/zinc/97/31/48/793973148.db2.gz ZWAIHRFRJJOFSI-IJLUTSLNSA-N 1 0 335.426 -1.877 20 0 EAADRO C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216767983 793973191 /nfs/dbraw/zinc/97/31/91/793973191.db2.gz BJVCIGUBIXLQPF-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001216770194 793973660 /nfs/dbraw/zinc/97/36/60/793973660.db2.gz AUONEDCCVLLYCT-GHMZBOCLSA-N 1 0 334.442 -1.503 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001216770195 793973024 /nfs/dbraw/zinc/97/30/24/793973024.db2.gz AVXGJADJCPVEGF-ZYHUDNBSSA-N 1 0 329.426 -1.094 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001216770256 793973106 /nfs/dbraw/zinc/97/31/06/793973106.db2.gz DWXRVVAZPSJOIS-NXEZZACHSA-N 1 0 341.455 -1.983 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001216770268 793973735 /nfs/dbraw/zinc/97/37/35/793973735.db2.gz FJJXQSOCBUFUJT-ZYHUDNBSSA-N 1 0 329.426 -1.094 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001216770287 793974086 /nfs/dbraw/zinc/97/40/86/793974086.db2.gz GHFOBYKAUCBUPZ-GHMZBOCLSA-N 1 0 348.469 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001216770296 793973001 /nfs/dbraw/zinc/97/30/01/793973001.db2.gz GJXCFJYEVXAJEP-ZYHUDNBSSA-N 1 0 329.426 -1.094 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001216770314 793973910 /nfs/dbraw/zinc/97/39/10/793973910.db2.gz HLVQKPFUFJZWTK-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216770327 793973141 /nfs/dbraw/zinc/97/31/41/793973141.db2.gz HWGLAYAOFBBXCK-ZYHUDNBSSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001216770478 793973899 /nfs/dbraw/zinc/97/38/99/793973899.db2.gz ONPXTXAUDMMYHB-ZYHUDNBSSA-N 1 0 329.426 -1.094 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216770483 793973956 /nfs/dbraw/zinc/97/39/56/793973956.db2.gz OVOXTOBPMRXUKH-GHMZBOCLSA-N 1 0 334.442 -1.550 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001216770492 793972939 /nfs/dbraw/zinc/97/29/39/793972939.db2.gz PKGHYWQVTLQPDW-RKDXNWHRSA-N 1 0 346.413 -2.406 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001216770524 793972866 /nfs/dbraw/zinc/97/28/66/793972866.db2.gz QXVRNXASFALHAY-GHMZBOCLSA-N 1 0 332.426 -1.796 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001216770556 793973224 /nfs/dbraw/zinc/97/32/24/793973224.db2.gz SDQLATCKKKXSQZ-ZYHUDNBSSA-N 1 0 346.453 -1.502 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001216770579 793973797 /nfs/dbraw/zinc/97/37/97/793973797.db2.gz TXCJMTCGTSALRB-GHMZBOCLSA-N 1 0 329.426 -1.094 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001216770623 793973522 /nfs/dbraw/zinc/97/35/22/793973522.db2.gz VLPUBEPPKSHPQO-MWLCHTKSSA-N 1 0 330.414 -1.699 20 0 EAADRO CCn1nncc1C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216770652 793973864 /nfs/dbraw/zinc/97/38/64/793973864.db2.gz WQUYPCPYCSUKDF-ZYHUDNBSSA-N 1 0 344.441 -1.216 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001216772418 793972994 /nfs/dbraw/zinc/97/29/94/793972994.db2.gz BDMDKEWXPNKJPE-DGCLKSJQSA-N 1 0 343.453 -1.052 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001216772421 793972967 /nfs/dbraw/zinc/97/29/67/793972967.db2.gz BFJQMWYUCDPBKM-VXGBXAGGSA-N 1 0 348.469 -1.161 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001216772455 793973838 /nfs/dbraw/zinc/97/38/38/793973838.db2.gz BWXGQHJTLOPGOJ-MWLCHTKSSA-N 1 0 332.426 -1.749 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216772474 793973676 /nfs/dbraw/zinc/97/36/76/793973676.db2.gz CNQCLNDLAAPWID-GRYCIOLGSA-N 1 0 348.469 -1.113 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216772475 793972976 /nfs/dbraw/zinc/97/29/76/793972976.db2.gz CNQCLNDLAAPWID-IJLUTSLNSA-N 1 0 348.469 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001216772680 793973751 /nfs/dbraw/zinc/97/37/51/793973751.db2.gz IZBLYTZWVPVOCC-DGCLKSJQSA-N 1 0 343.453 -1.052 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001216772831 793973706 /nfs/dbraw/zinc/97/37/06/793973706.db2.gz MCRYGVHLXIOLIO-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001216772832 793973997 /nfs/dbraw/zinc/97/39/97/793973997.db2.gz MCRYGVHLXIOLIO-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001216772914 793974133 /nfs/dbraw/zinc/97/41/33/793974133.db2.gz QCOLYVOWTAOVSL-VXGBXAGGSA-N 1 0 337.442 -1.365 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001216772931 793973246 /nfs/dbraw/zinc/97/32/46/793973246.db2.gz QRWQLJSZJODEMI-KXUCPTDWSA-N 1 0 346.409 -2.223 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001216772932 793974157 /nfs/dbraw/zinc/97/41/57/793974157.db2.gz QRWQLJSZJODEMI-OPRDCNLKSA-N 1 0 346.409 -2.223 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216772939 793974126 /nfs/dbraw/zinc/97/41/26/793974126.db2.gz QYYVNCSTVCBBAH-GHMZBOCLSA-N 1 0 334.442 -1.502 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216772956 793974029 /nfs/dbraw/zinc/97/40/29/793974029.db2.gz RRNICYUBJJDETL-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001216772960 793972989 /nfs/dbraw/zinc/97/29/89/793972989.db2.gz RWBKKYVSLRPFGW-GMTAPVOTSA-N 1 0 332.426 -1.749 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001216772961 793973715 /nfs/dbraw/zinc/97/37/15/793973715.db2.gz RWBKKYVSLRPFGW-OUAUKWLOSA-N 1 0 332.426 -1.749 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216772976 793974095 /nfs/dbraw/zinc/97/40/95/793974095.db2.gz SMYPHNKGPWTRLX-HTQZYQBOSA-N 1 0 335.386 -2.833 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001216772980 793973373 /nfs/dbraw/zinc/97/33/73/793973373.db2.gz SPFUHOJDYAYFNC-GHMZBOCLSA-N 1 0 347.441 -2.003 20 0 EAADRO CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216772992 793973787 /nfs/dbraw/zinc/97/37/87/793973787.db2.gz TXPHVUBLONLWAX-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216773022 793973063 /nfs/dbraw/zinc/97/30/63/793973063.db2.gz VMYGQABINWVZNF-RKDXNWHRSA-N 1 0 349.413 -2.572 20 0 EAADRO CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216774184 793973539 /nfs/dbraw/zinc/97/35/39/793973539.db2.gz REUZDTKCFRTBGU-GMTAPVOTSA-N 1 0 341.412 -1.220 20 0 EAADRO CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216774186 793973612 /nfs/dbraw/zinc/97/36/12/793973612.db2.gz REUZDTKCFRTBGU-HBNTYKKESA-N 1 0 341.412 -1.220 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001216776198 793973125 /nfs/dbraw/zinc/97/31/25/793973125.db2.gz GESKAFWMKFBEFI-VXGBXAGGSA-N 1 0 329.426 -1.131 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216776360 793972926 /nfs/dbraw/zinc/97/29/26/793972926.db2.gz UDWYYKZVNFRBAV-NXEZZACHSA-N 1 0 348.425 -1.559 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@H]2C)C1=O ZINC001216778272 793973966 /nfs/dbraw/zinc/97/39/66/793973966.db2.gz AQPSZUFGVFORLU-GRYCIOLGSA-N 1 0 346.453 -1.407 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@H]2C)C1=O ZINC001216778273 793973304 /nfs/dbraw/zinc/97/33/04/793973304.db2.gz AQPSZUFGVFORLU-IJLUTSLNSA-N 1 0 346.453 -1.407 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216778294 793973757 /nfs/dbraw/zinc/97/37/57/793973757.db2.gz BMBACRKCRSXHIO-ZYHUDNBSSA-N 1 0 346.453 -1.502 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216778373 793972884 /nfs/dbraw/zinc/97/28/84/793972884.db2.gz FXKYXPWBQUWTMT-GRYCIOLGSA-N 1 0 348.469 -1.113 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216778374 793972918 /nfs/dbraw/zinc/97/29/18/793972918.db2.gz FXKYXPWBQUWTMT-IJLUTSLNSA-N 1 0 348.469 -1.113 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001216778378 793973766 /nfs/dbraw/zinc/97/37/66/793973766.db2.gz GDZMAKAPWAQLIF-VXGBXAGGSA-N 1 0 348.469 -1.256 20 0 EAADRO C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001216778384 793973204 /nfs/dbraw/zinc/97/32/04/793973204.db2.gz GIWZHQBJQZGVJS-NXEZZACHSA-N 1 0 334.442 -1.374 20 0 EAADRO CCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216778450 793974140 /nfs/dbraw/zinc/97/41/40/793974140.db2.gz JEXSZZZQCKFYMR-NXEZZACHSA-N 1 0 348.425 -1.557 20 0 EAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001216778529 793973366 /nfs/dbraw/zinc/97/33/66/793973366.db2.gz NARIDWSSUZIOFS-GMTAPVOTSA-N 1 0 334.442 -1.551 20 0 EAADRO 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ZINC001216842838 793975729 /nfs/dbraw/zinc/97/57/29/793975729.db2.gz NWUFDYKECGVSDT-GHMZBOCLSA-N 1 0 340.467 -1.098 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216844609 793974958 /nfs/dbraw/zinc/97/49/58/793974958.db2.gz GYFAZJCXVNBKBA-NXEZZACHSA-N 1 0 337.384 -2.098 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001216844796 793974978 /nfs/dbraw/zinc/97/49/78/793974978.db2.gz JTLQUUHEMQCWDH-GMTAPVOTSA-N 1 0 340.384 -2.179 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001216844797 793975499 /nfs/dbraw/zinc/97/54/99/793975499.db2.gz JTLQUUHEMQCWDH-OUAUKWLOSA-N 1 0 340.384 -2.179 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1[NH2+]CCOCCO ZINC001216844800 793975778 /nfs/dbraw/zinc/97/57/78/793975778.db2.gz JYWGYUWNYWWFSM-GHMZBOCLSA-N 1 0 340.384 -2.178 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001216844875 793975751 /nfs/dbraw/zinc/97/57/51/793975751.db2.gz MPIFEFDQRFLGCL-GRYCIOLGSA-N 1 0 338.412 -1.026 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001216844876 793975572 /nfs/dbraw/zinc/97/55/72/793975572.db2.gz MPIFEFDQRFLGCL-IJLUTSLNSA-N 1 0 338.412 -1.026 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001216844939 793975827 /nfs/dbraw/zinc/97/58/27/793975827.db2.gz PKGNLBQGSHQLPI-NXEZZACHSA-N 1 0 337.384 -2.050 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001216844940 793975663 /nfs/dbraw/zinc/97/56/63/793975663.db2.gz PNEGXJHCYUIDHX-KXUCPTDWSA-N 1 0 337.384 -2.052 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001216844941 793975506 /nfs/dbraw/zinc/97/55/06/793975506.db2.gz PNEGXJHCYUIDHX-OPRDCNLKSA-N 1 0 337.384 -2.052 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216845000 793975522 /nfs/dbraw/zinc/97/55/22/793975522.db2.gz TTYSMXHPDZCZHO-MWLCHTKSSA-N 1 0 349.395 -1.908 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1[NH2+]CCCO ZINC001216845155 793977365 /nfs/dbraw/zinc/97/73/65/793977365.db2.gz ZVQRWLDFRZSSBV-VXGBXAGGSA-N 1 0 338.412 -1.201 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001216848536 793976927 /nfs/dbraw/zinc/97/69/27/793976927.db2.gz CIILWNYEVPUTNY-VXGBXAGGSA-N 1 0 346.453 -1.117 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001216848736 793977864 /nfs/dbraw/zinc/97/78/64/793977864.db2.gz JVAFULIFCKVPGO-GMTAPVOTSA-N 1 0 345.421 -1.337 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001216848737 793976651 /nfs/dbraw/zinc/97/66/51/793976651.db2.gz JVAFULIFCKVPGO-OUAUKWLOSA-N 1 0 345.421 -1.337 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001216848788 793977348 /nfs/dbraw/zinc/97/73/48/793977348.db2.gz MPCOFOMDCDZGKD-KXUCPTDWSA-N 1 0 348.425 -1.559 20 0 EAADRO CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001216848789 793976458 /nfs/dbraw/zinc/97/64/58/793976458.db2.gz MPCOFOMDCDZGKD-OPRDCNLKSA-N 1 0 348.425 -1.559 20 0 EAADRO CCOCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216857237 793976828 /nfs/dbraw/zinc/97/68/28/793976828.db2.gz JGJQSCCXVKWFKQ-GHMZBOCLSA-N 1 0 330.385 -1.329 20 0 EAADRO CCOCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216857248 793976674 /nfs/dbraw/zinc/97/66/74/793976674.db2.gz JQYCOBQCDWLYEY-VXGBXAGGSA-N 1 0 344.412 -1.068 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216861772 793977030 /nfs/dbraw/zinc/97/70/30/793977030.db2.gz FZSXRQVSDDSAGJ-KXUCPTDWSA-N 1 0 348.425 -1.702 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216861773 793976522 /nfs/dbraw/zinc/97/65/22/793976522.db2.gz FZSXRQVSDDSAGJ-OPRDCNLKSA-N 1 0 348.425 -1.702 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1[NH2+]CCS(C)(=O)=O 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C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001217010234 793977038 /nfs/dbraw/zinc/97/70/38/793977038.db2.gz LLRAWLXLOXIDRS-VXGBXAGGSA-N 1 0 329.426 -1.131 20 0 EAADRO C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001217010752 793977017 /nfs/dbraw/zinc/97/70/17/793977017.db2.gz VRDWKYVWEKYKRG-LDYMZIIASA-N 1 0 348.363 -1.575 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001217015507 793976982 /nfs/dbraw/zinc/97/69/82/793976982.db2.gz AIWIFYSBYRDKLM-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001217015616 793977557 /nfs/dbraw/zinc/97/75/57/793977557.db2.gz CNWMBIDVPGXYTN-GHMZBOCLSA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001217016092 793976954 /nfs/dbraw/zinc/97/69/54/793976954.db2.gz JHUXSFAMGVURAI-KXUCPTDWSA-N 1 0 327.385 -1.338 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001217016093 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DCWMUTVQNJOJRA-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C ZINC001217022181 793976409 /nfs/dbraw/zinc/97/64/09/793976409.db2.gz RFCCSBWNEUJDAI-NXEZZACHSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1[NH2+]CCOCCO ZINC001217032186 793977835 /nfs/dbraw/zinc/97/78/35/793977835.db2.gz PTGKJICUEVWCEL-UPJWGTAASA-N 1 0 328.413 -1.025 20 0 EAADRO Cc1nonc1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001217032232 793977715 /nfs/dbraw/zinc/97/77/15/793977715.db2.gz RMZYYHQHKXTKDO-PSASIEDQSA-N 1 0 331.398 -1.023 20 0 EAADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001217032427 793976744 /nfs/dbraw/zinc/97/67/44/793976744.db2.gz VMXACYSAFIDDSJ-BBBLOLIVSA-N 1 0 340.384 -1.839 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C ZINC001217032461 793977161 /nfs/dbraw/zinc/97/71/61/793977161.db2.gz WFSFRSDFBFGUHB-LPWJVIDDSA-N 1 0 328.413 -1.027 20 0 EAADRO 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326.397 -1.042 20 0 EAADRO COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@H]2C1 ZINC001218430187 794010244 /nfs/dbraw/zinc/01/02/44/794010244.db2.gz PENRKTZUYNFYLB-RWMBFGLXSA-N 1 0 326.397 -1.042 20 0 EAADRO Cn1cnc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c2ncnc1-2 ZINC001218494051 794010909 /nfs/dbraw/zinc/01/09/09/794010909.db2.gz DIHACSLJWLYESF-UHFFFAOYSA-N 1 0 327.370 -1.526 20 0 EAADRO Cn1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218495276 794010385 /nfs/dbraw/zinc/01/03/85/794010385.db2.gz BLXJHIUITBQRFB-UHFFFAOYSA-N 1 0 325.329 -3.334 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncn(C)c2ncnc1-2 ZINC001218496115 794010846 /nfs/dbraw/zinc/01/08/46/794010846.db2.gz YRGWNENCHQSXND-BQBZGAKWSA-N 1 0 334.340 -2.039 20 0 EAADRO Cn1nnnc1NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001218497131 794011136 /nfs/dbraw/zinc/01/11/36/794011136.db2.gz OMUCWGOXNHFFNV-QWRGUYRKSA-N 1 0 349.351 -2.099 20 0 EAADRO Cn1ccnc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218497432 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326.317 -4.517 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccnc1-n1cccn1 ZINC001218501232 794011263 /nfs/dbraw/zinc/01/12/63/794011263.db2.gz HCCXUVMREJGSPK-ONGXEEELSA-N 1 0 345.363 -1.087 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC001218502258 794011866 /nfs/dbraw/zinc/01/18/66/794011866.db2.gz SIRUYPYRMCLJHV-UFBFGSQYSA-N 1 0 335.364 -1.200 20 0 EAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1nnco1 ZINC001218502300 794011746 /nfs/dbraw/zinc/01/17/46/794011746.db2.gz STEKGQSXNKJIOB-QWRGUYRKSA-N 1 0 335.320 -1.239 20 0 EAADRO Cn1cnc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218504703 794010407 /nfs/dbraw/zinc/01/04/07/794010407.db2.gz RRFYZCSGHSNMIB-UHFFFAOYSA-N 1 0 326.317 -3.939 20 0 EAADRO Cn1cnc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC001218505050 794011396 /nfs/dbraw/zinc/01/13/96/794011396.db2.gz YRGAMYQKPNJHBH-RYUDHWBXSA-N 1 0 348.363 -1.494 20 0 EAADRO Cc1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cnn1C 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FLKGJWWTYOPVEO-IMJSIDKUSA-N 1 0 337.262 -1.531 20 0 EAADRO CSc1nccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])n1 ZINC001218511540 794010622 /nfs/dbraw/zinc/01/06/22/794010622.db2.gz JJUYTDMIWPKFOA-BQBZGAKWSA-N 1 0 326.382 -1.156 20 0 EAADRO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001218512348 794010530 /nfs/dbraw/zinc/01/05/30/794010530.db2.gz JPPMODHNTAGFIQ-YUMQZZPRSA-N 1 0 327.341 -1.342 20 0 EAADRO COc1ccc2nc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)nnc2c1 ZINC001218512380 794010983 /nfs/dbraw/zinc/01/09/83/794010983.db2.gz KMNYCIWRZSNQNR-CBAPKCEASA-N 1 0 334.336 -1.204 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2ncnc3n[nH]nc32)COC1(C)C ZINC001218515281 794011595 /nfs/dbraw/zinc/01/15/95/794011595.db2.gz DMCMTPQYBSDSBI-BQBZGAKWSA-N 1 0 334.340 -1.003 20 0 EAADRO Cn1c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)nnc1C(F)(F)F ZINC001218515835 794010675 /nfs/dbraw/zinc/01/06/75/794010675.db2.gz YFZCHVWHELKNSD-UHFFFAOYSA-N 1 0 344.319 -1.007 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1ncnc2n[nH]nc21 ZINC001218516090 794011242 /nfs/dbraw/zinc/01/12/42/794011242.db2.gz UCDWYAFVONBPJX-ZETCQYMHSA-N 1 0 336.356 -1.055 20 0 EAADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])Cc3nnn[n-]3)nc2)CC1 ZINC001218516228 794011197 /nfs/dbraw/zinc/01/11/97/794011197.db2.gz VUOMQUVQZKDMRM-NSHDSACASA-N 1 0 331.384 -1.145 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 ZINC001218517061 794010549 /nfs/dbraw/zinc/01/05/49/794010549.db2.gz IIZXIIPGXBYBFX-RFQIPJPRSA-N 1 0 341.408 -1.474 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 ZINC001218517062 794011217 /nfs/dbraw/zinc/01/12/17/794011217.db2.gz IIZXIIPGXBYBFX-YIYPIFLZSA-N 1 0 341.408 -1.474 20 0 EAADRO COc1nc(Cl)cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])n1 ZINC001218517457 794011377 /nfs/dbraw/zinc/01/13/77/794011377.db2.gz HURQMGFCSIFEMJ-WDSKDSINSA-N 1 0 344.759 -1.216 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N=c2ncnc3[nH][nH]cc2-3)COC1(C)C 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C[NH+](C)CCCC(=O)N1CCO[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 ZINC001218558030 794015420 /nfs/dbraw/zinc/01/54/20/794015420.db2.gz QQIAFPCNTSOUPK-NWDGAFQWSA-N 1 0 341.412 -1.565 20 0 EAADRO CCOC(=O)c1[nH]cnc1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218558520 794014176 /nfs/dbraw/zinc/01/41/76/794014176.db2.gz CFNQQWFDCBKSLM-UHFFFAOYSA-N 1 0 333.370 -1.255 20 0 EAADRO CCOC(=O)c1[nH]cnc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218559429 794014915 /nfs/dbraw/zinc/01/49/15/794014915.db2.gz OPKAMNSZNBJBOY-BQBZGAKWSA-N 1 0 340.340 -1.768 20 0 EAADRO COCCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1ncccc1N ZINC001218559819 794015178 /nfs/dbraw/zinc/01/51/78/794015178.db2.gz RHSFWUWXHFKKJN-JQWIXIFHSA-N 1 0 339.396 -1.142 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1c[nH]nc1C(N)=O ZINC001218565015 794014053 /nfs/dbraw/zinc/01/40/53/794014053.db2.gz PNUGRTPMKLNHFO-ZETCQYMHSA-N 1 0 326.357 -1.294 20 0 EAADRO NC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218565734 794014994 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O=C(Nc1cncc(N2CCOCC2)n1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218575734 794014705 /nfs/dbraw/zinc/01/47/05/794014705.db2.gz KKHZZPLEIFJDBL-NSHDSACASA-N 1 0 334.380 -1.418 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218576017 794015133 /nfs/dbraw/zinc/01/51/33/794015133.db2.gz PJLGPZSDYSXFJA-UWVGGRQHSA-N 1 0 338.368 -1.924 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(OCC2CC2)n[nH]1 ZINC001218579075 794015442 /nfs/dbraw/zinc/01/54/42/794015442.db2.gz XYHGXHSJYNEWKY-CBAPKCEASA-N 1 0 338.368 -1.156 20 0 EAADRO COC(=O)c1cncc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])n1 ZINC001218579351 794014688 /nfs/dbraw/zinc/01/46/88/794014688.db2.gz CNLIEBCRXLAQLJ-BQBZGAKWSA-N 1 0 338.324 -2.091 20 0 EAADRO CN1CCN(c2ncc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)cn2)CC1 ZINC001218579588 794015800 /nfs/dbraw/zinc/01/58/00/794015800.db2.gz GITIDLHOLVOSKC-CYBMUJFWSA-N 1 0 347.423 -1.503 20 0 EAADRO CN1CCN(c2ncc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)cn2)CC1 ZINC001218579589 794014644 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-1.695 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)[nH]3)[C@H]2C1 ZINC001218581664 794014483 /nfs/dbraw/zinc/01/44/83/794014483.db2.gz GYPZSXCAFUJIFN-KGYLQXTDSA-N 1 0 340.380 -1.342 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)[nH]3)[C@H]2C1 ZINC001218581665 794014207 /nfs/dbraw/zinc/01/42/07/794014207.db2.gz GYPZSXCAFUJIFN-WCFLWFBJSA-N 1 0 340.380 -1.342 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 ZINC001218581675 794015061 /nfs/dbraw/zinc/01/50/61/794015061.db2.gz HDOJNODGSWFRCV-QWHCGFSZSA-N 1 0 333.454 -1.106 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc(Br)nn1C ZINC001218581808 794015484 /nfs/dbraw/zinc/01/54/84/794015484.db2.gz BYYINVUANQWWHT-WDSKDSINSA-N 1 0 334.174 -1.055 20 0 EAADRO Cn1[nH]c(CN2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)nc1=O ZINC001218582827 794014953 /nfs/dbraw/zinc/01/49/53/794014953.db2.gz UWGHJWMXCXAFLH-NWDGAFQWSA-N 1 0 338.412 -1.528 20 0 EAADRO CSc1nc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc(=O)[nH]1 ZINC001218584020 794014387 /nfs/dbraw/zinc/01/43/87/794014387.db2.gz RSEFEHNIWAFRGE-WDSKDSINSA-N 1 0 342.381 -1.450 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1c(N)c(=O)c1=O ZINC001218586371 794014555 /nfs/dbraw/zinc/01/45/55/794014555.db2.gz BGIBFNZYUUDBAP-BQBZGAKWSA-N 1 0 337.336 -2.742 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cnn(C2CCOCC2)c1 ZINC001218588811 794014796 /nfs/dbraw/zinc/01/47/96/794014796.db2.gz OEQPXLWWJVIKSM-CABZTGNLSA-N 1 0 325.369 -1.003 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1nc(Cl)nc2[nH]cnc21 ZINC001218589215 794014836 /nfs/dbraw/zinc/01/48/36/794014836.db2.gz OBBIDVJWAYZWJL-WHFBIAKZSA-N 1 0 327.732 -1.231 20 0 EAADRO Nc1c(=O)c(=O)c1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218589332 794015382 /nfs/dbraw/zinc/01/53/82/794015382.db2.gz XLIXMJZDSOGDAB-SSDOTTSWSA-N 1 0 327.362 -1.782 20 0 EAADRO Nc1c(=O)c(=O)c1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218589333 794015323 /nfs/dbraw/zinc/01/53/23/794015323.db2.gz XLIXMJZDSOGDAB-ZETCQYMHSA-N 1 0 327.362 -1.782 20 0 EAADRO C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 ZINC001218600937 794015999 /nfs/dbraw/zinc/01/59/99/794015999.db2.gz UGOACKZZSNKRGJ-QWHCGFSZSA-N 1 0 348.469 -1.601 20 0 EAADRO CC(=O)Nc1cc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)ncn1 ZINC001218609510 794016962 /nfs/dbraw/zinc/01/69/62/794016962.db2.gz FQTPLSZYIDAEHH-UHFFFAOYSA-N 1 0 330.370 -1.406 20 0 EAADRO COC(=O)Cn1cc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cn1 ZINC001218609882 794016747 /nfs/dbraw/zinc/01/67/47/794016747.db2.gz LIKMTNPZWMEQRB-UHFFFAOYSA-N 1 0 333.370 -1.785 20 0 EAADRO CC(=O)Nc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])ncn1 ZINC001218611472 794016214 /nfs/dbraw/zinc/01/62/14/794016214.db2.gz YKEOOJVTYQDPLD-XPUUQOCRSA-N 1 0 337.340 -1.919 20 0 EAADRO COC(=O)Cn1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cn1 ZINC001218611779 794016613 /nfs/dbraw/zinc/01/66/13/794016613.db2.gz HZFNFZGJYMFSOR-CBAPKCEASA-N 1 0 340.340 -2.298 20 0 EAADRO Cc1[nH]nc2ncc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc12 ZINC001218615579 794017177 /nfs/dbraw/zinc/01/71/77/794017177.db2.gz OOJPQZBETGMQBY-WKEGUHRASA-N 1 0 333.352 -1.088 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1nccnc1C(N)=O ZINC001218617055 794015950 /nfs/dbraw/zinc/01/59/50/794015950.db2.gz CNOHXCSZWPCMBJ-QMMMGPOBSA-N 1 0 338.368 -1.227 20 0 EAADRO COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001218617720 794016634 /nfs/dbraw/zinc/01/66/34/794016634.db2.gz KXRWXPITTRXGTI-IGQOVBAYSA-N 1 0 341.408 -1.033 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2nccnc2C(N)=O)COC1(C)C ZINC001218618135 794017357 /nfs/dbraw/zinc/01/73/57/794017357.db2.gz OBRPHNMIZIYVKP-YUMQZZPRSA-N 1 0 336.352 -1.175 20 0 EAADRO Cc1nc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc(N2CCOCC2)n1 ZINC001218619210 794017434 /nfs/dbraw/zinc/01/74/34/794017434.db2.gz BJQUYUYGSDPYQI-GFCCVEGCSA-N 1 0 348.407 -1.109 20 0 EAADRO Cc1nc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc(N2CCOCC2)n1 ZINC001218619211 794017044 /nfs/dbraw/zinc/01/70/44/794017044.db2.gz BJQUYUYGSDPYQI-LBPRGKRZSA-N 1 0 348.407 -1.109 20 0 EAADRO Cc1csc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001218619676 794016328 /nfs/dbraw/zinc/01/63/28/794016328.db2.gz GZQQVMZAXSJBBP-UHFFFAOYSA-N 1 0 341.393 -1.698 20 0 EAADRO Nc1cn(C(=O)[C@@H]2COCCN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620312 794016982 /nfs/dbraw/zinc/01/69/82/794016982.db2.gz POKWOHNTTYQDNM-HNNXBMFYSA-N 1 0 335.408 -1.068 20 0 EAADRO Nc1cn(C(=O)[C@@H]2CNC(=O)N2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620708 794017066 /nfs/dbraw/zinc/01/70/66/794017066.db2.gz QRJCWIGVMYDPJO-ZDUSSCGKSA-N 1 0 334.380 -1.375 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218621036 794017829 /nfs/dbraw/zinc/01/78/29/794017829.db2.gz JTMSSRFGWYYBLG-IUCAKERBSA-N 1 0 343.409 -1.258 20 0 EAADRO Cn1cncc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218622592 794018070 /nfs/dbraw/zinc/01/80/70/794018070.db2.gz UBOYXIMPZSLGOU-UHFFFAOYSA-N 1 0 325.329 -3.334 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C)c1nccnc1N ZINC001218623133 794019190 /nfs/dbraw/zinc/01/91/90/794019190.db2.gz ABWUTOIWYUDFNQ-UWVGGRQHSA-N 1 0 349.395 -1.524 20 0 EAADRO COC(=O)c1scnc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218623454 794017813 /nfs/dbraw/zinc/01/78/13/794017813.db2.gz NLYCPWVBBDAMHZ-WDSKDSINSA-N 1 0 343.365 -1.424 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1c(Cl)ncc(N)c1=N ZINC001218625138 794018453 /nfs/dbraw/zinc/01/84/53/794018453.db2.gz UENOPRRYMFTVST-NJGYIYPDSA-N 1 0 329.748 -2.054 20 0 EAADRO Cn1ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218627175 794018970 /nfs/dbraw/zinc/01/89/70/794018970.db2.gz UFWNVXXYNDSLJG-UHFFFAOYSA-N 1 0 326.317 -3.939 20 0 EAADRO Cn1ncc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC001218627719 794019473 /nfs/dbraw/zinc/01/94/73/794019473.db2.gz ZKTYUJLUMTVFIX-RYUDHWBXSA-N 1 0 348.363 -1.494 20 0 EAADRO Cn1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nn1 ZINC001218627959 794018924 /nfs/dbraw/zinc/01/89/24/794018924.db2.gz CCMIGCUCLPHWLG-UHFFFAOYSA-N 1 0 326.317 -3.939 20 0 EAADRO Cc1cc(C)n2nc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc2n1 ZINC001218628782 794019380 /nfs/dbraw/zinc/01/93/80/794019380.db2.gz PYOQHSOGDNOJPA-UWVGGRQHSA-N 1 0 347.379 -1.008 20 0 EAADRO Cn1cc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)nn1 ZINC001218629422 794018784 /nfs/dbraw/zinc/01/87/84/794018784.db2.gz XBZPHQGLQREOGY-RYUDHWBXSA-N 1 0 348.363 -1.494 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218631952 794017689 /nfs/dbraw/zinc/01/76/89/794017689.db2.gz JEOFAWKOGYFYSQ-WHFBIAKZSA-N 1 0 330.732 -1.519 20 0 EAADRO COC(=O)c1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cn1C ZINC001218632224 794018037 /nfs/dbraw/zinc/01/80/37/794018037.db2.gz QCBDFVQHSFNJOD-CBAPKCEASA-N 1 0 339.352 -1.542 20 0 EAADRO COC(=O)c1cc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cn1C ZINC001218632704 794019049 /nfs/dbraw/zinc/01/90/49/794019049.db2.gz WLVKDJLIRJIAMI-UHFFFAOYSA-N 1 0 332.382 -1.030 20 0 EAADRO COC(=O)c1onc(C)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218635467 794018491 /nfs/dbraw/zinc/01/84/91/794018491.db2.gz DTZYARDKJHLAES-FSPLSTOPSA-N 1 0 341.324 -1.584 20 0 EAADRO COc1nc(Cl)ncc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218635618 794018430 /nfs/dbraw/zinc/01/84/30/794018430.db2.gz UJEBZPDPFFWTNX-WDSKDSINSA-N 1 0 344.759 -1.216 20 0 EAADRO COC(=O)c1onc(C)c1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218636438 794019274 /nfs/dbraw/zinc/01/92/74/794019274.db2.gz UMHNQGSLBRSUSE-UHFFFAOYSA-N 1 0 334.354 -1.072 20 0 EAADRO CCOC(=O)c1cc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)n(C)n1 ZINC001218637072 794017670 /nfs/dbraw/zinc/01/76/70/794017670.db2.gz PYNBNLUPJBUDPL-UHFFFAOYSA-N 1 0 347.397 -1.244 20 0 EAADRO CCOC(=O)c1cc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)n(C)n1 ZINC001218637252 794019457 /nfs/dbraw/zinc/01/94/57/794019457.db2.gz TZIIAMSRWNALJH-YUMQZZPRSA-N 1 0 327.341 -1.640 20 0 EAADRO CSc1[nH]nc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c1C(N)=O ZINC001218638768 794018537 /nfs/dbraw/zinc/01/85/37/794018537.db2.gz SYKOCBZJGPQRBL-LURJTMIESA-N 1 0 326.382 -1.501 20 0 EAADRO CSc1[nH]nc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c1C(N)=O ZINC001218638769 794019344 /nfs/dbraw/zinc/01/93/44/794019344.db2.gz SYKOCBZJGPQRBL-ZCFIWIBFSA-N 1 0 326.382 -1.501 20 0 EAADRO COC(=O)c1n[nH]c(C)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218639533 794017726 /nfs/dbraw/zinc/01/77/26/794017726.db2.gz GYLJPEDANRHWQZ-FSPLSTOPSA-N 1 0 340.340 -1.849 20 0 EAADRO COC(=O)c1n[nH]c(C)c1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218640766 794019437 /nfs/dbraw/zinc/01/94/37/794019437.db2.gz RGYIPNMGBNKEFN-UHFFFAOYSA-N 1 0 333.370 -1.336 20 0 EAADRO Cc1nc(Cl)c(N)c(=N)n1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218642070 794018503 /nfs/dbraw/zinc/01/85/03/794018503.db2.gz ONMHSOGWCYAKEU-UHFFFAOYSA-N 1 0 336.805 -1.233 20 0 EAADRO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218642152 794018760 /nfs/dbraw/zinc/01/87/60/794018760.db2.gz PWBJRWJARLTCJX-NJGYIYPDSA-N 1 0 343.775 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ZINC001218652804 794018227 /nfs/dbraw/zinc/01/82/27/794018227.db2.gz JCRSSDSREPTFFU-UHFFFAOYSA-N 1 0 333.370 -1.347 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cn[nH]c(=O)c1 ZINC001218653006 794019010 /nfs/dbraw/zinc/01/90/10/794019010.db2.gz ULCWVGINEPPEJI-WPRPVWTQSA-N 1 0 336.352 -1.425 20 0 EAADRO CCOC(=O)c1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c[nH]1 ZINC001218653630 794018600 /nfs/dbraw/zinc/01/86/00/794018600.db2.gz WIZBBXIURKKFCA-CBAPKCEASA-N 1 0 339.352 -1.163 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc(Cl)cnc1N ZINC001218654715 794019151 /nfs/dbraw/zinc/01/91/51/794019151.db2.gz OFIOFDSFDCHEEQ-WHFBIAKZSA-N 1 0 329.748 -1.642 20 0 EAADRO Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001218661576 794018472 /nfs/dbraw/zinc/01/84/72/794018472.db2.gz MAYKBBLMDGBCTH-IUCAKERBSA-N 1 0 344.393 -1.444 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218671091 794020234 /nfs/dbraw/zinc/02/02/34/794020234.db2.gz 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SVMIADWDCKJYLT-RWMBFGLXSA-N 1 0 342.396 -2.340 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCO[C@@H]2C[N@@H+](C(C)C)C[C@@H]21)C(N)=O ZINC001218730306 794023142 /nfs/dbraw/zinc/02/31/42/794023142.db2.gz VPCDRZDNMSFHJB-RWMBFGLXSA-N 1 0 326.397 -1.314 20 0 EAADRO CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]2C1 ZINC001218730585 794022709 /nfs/dbraw/zinc/02/27/09/794022709.db2.gz YXZLLVGCEOBELI-RWMBFGLXSA-N 1 0 326.397 -1.312 20 0 EAADRO CCc1cc2ncc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cn2n1 ZINC001218735183 794023195 /nfs/dbraw/zinc/02/31/95/794023195.db2.gz BDUPIVHNYZIVQN-KWQFWETISA-N 1 0 347.379 -1.062 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21)C(N)=O ZINC001218736913 794023051 /nfs/dbraw/zinc/02/30/51/794023051.db2.gz GYPNPRAZYNLUSX-RWMBFGLXSA-N 1 0 344.387 -1.362 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]21)C(N)=O ZINC001218737654 794021818 /nfs/dbraw/zinc/02/18/18/794021818.db2.gz QCOAWUVFWKHSOU-MELADBBJSA-N 1 0 338.408 -1.312 20 0 EAADRO CCN(C)c1ncc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cn1 ZINC001218739469 794022531 /nfs/dbraw/zinc/02/25/31/794022531.db2.gz ASGPZLNMVBJGSL-WPRPVWTQSA-N 1 0 337.384 -1.421 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC001218742355 794022256 /nfs/dbraw/zinc/02/22/56/794022256.db2.gz DDJCZYQKIJGZSV-ONGXEEELSA-N 1 0 345.363 -1.087 20 0 EAADRO CN=c1c(N)cc(Cl)nn1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218743061 794022350 /nfs/dbraw/zinc/02/23/50/794022350.db2.gz MZFRXMARADKRAA-FSPLSTOPSA-N 1 0 343.775 -2.003 20 0 EAADRO CN=c1c(N)cc(Cl)nn1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218743189 794022821 /nfs/dbraw/zinc/02/28/21/794022821.db2.gz PDBWBFGZNCJXOJ-UHFFFAOYSA-N 1 0 336.805 -1.490 20 0 EAADRO Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])n(CCF)n1 ZINC001218743497 794022091 /nfs/dbraw/zinc/02/20/91/794022091.db2.gz KAXYIILDOKZKII-IUCAKERBSA-N 1 0 328.348 -1.193 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218747463 794021766 /nfs/dbraw/zinc/02/17/66/794021766.db2.gz ZOVZYOVKBIEAFK-GWCFXTLKSA-N 1 0 337.380 -1.319 20 0 EAADRO Cc1cnn(CCO)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218750602 794022137 /nfs/dbraw/zinc/02/21/37/794022137.db2.gz UFYGQVVHGKHBRO-IUCAKERBSA-N 1 0 326.357 -2.170 20 0 EAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750762 794022847 /nfs/dbraw/zinc/02/28/47/794022847.db2.gz KXKAPPZCQDFAEF-SECBINFHSA-N 1 0 330.370 -1.557 20 0 EAADRO NS(=O)(=O)c1cncc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c1 ZINC001218750793 794023208 /nfs/dbraw/zinc/02/32/08/794023208.db2.gz MFDMPZHAWIUDAQ-JTQLQIEISA-N 1 0 327.366 -2.002 20 0 EAADRO NS(=O)(=O)c1cncc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c1 ZINC001218750794 794021686 /nfs/dbraw/zinc/02/16/86/794021686.db2.gz MFDMPZHAWIUDAQ-SNVBAGLBSA-N 1 0 327.366 -2.002 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750924 794021941 /nfs/dbraw/zinc/02/19/41/794021941.db2.gz NKQSGUKLAXLNIF-RCOVLWMOSA-N 1 0 331.354 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CN(C)C(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001218753062 794022030 /nfs/dbraw/zinc/02/20/30/794022030.db2.gz SQOJFVPNOCBJFZ-RWMBFGLXSA-N 1 0 338.408 -1.345 20 0 EAADRO CCOC(=O)c1ncc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cn1 ZINC001218756564 794022406 /nfs/dbraw/zinc/02/24/06/794022406.db2.gz DNCHLOUNFICIFW-CBAPKCEASA-N 1 0 325.325 -1.584 20 0 EAADRO CCOC(=O)c1ncc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cn1 ZINC001218756668 794023314 /nfs/dbraw/zinc/02/33/14/794023314.db2.gz DPRIDIKGNBMTIQ-UHFFFAOYSA-N 1 0 345.381 -1.188 20 0 EAADRO COc1cc(OC)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cn1 ZINC001218758558 794022605 /nfs/dbraw/zinc/02/26/05/794022605.db2.gz DVTYHGBOKHVJTR-YUMQZZPRSA-N 1 0 339.352 -1.255 20 0 EAADRO CCOC(=O)c1nc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c[nH]1 ZINC001218762917 794022058 /nfs/dbraw/zinc/02/20/58/794022058.db2.gz AGRALRJUJDLWBF-UHFFFAOYSA-N 1 0 333.370 -1.255 20 0 EAADRO CNC(=O)c1cccnc1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218765177 794022184 /nfs/dbraw/zinc/02/21/84/794022184.db2.gz UMMGQMYOAASGIV-UHFFFAOYSA-N 1 0 329.382 -1.400 20 0 EAADRO CCOC(=O)c1nc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c[nH]1 ZINC001218765550 794022985 /nfs/dbraw/zinc/02/29/85/794022985.db2.gz VNQNMQAXXKAAKX-BQBZGAKWSA-N 1 0 340.340 -1.768 20 0 EAADRO CNC(=O)c1cccnc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218765629 794021781 /nfs/dbraw/zinc/02/17/81/794021781.db2.gz YUBAABFYRHLBST-CBAPKCEASA-N 1 0 336.352 -1.913 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001218766443 794022683 /nfs/dbraw/zinc/02/26/83/794022683.db2.gz LOROGPGXGYEHFF-FRRDWIJNSA-N 1 0 338.408 -1.393 20 0 EAADRO CN(C)C(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001218766447 794021856 /nfs/dbraw/zinc/02/18/56/794021856.db2.gz LOROGPGXGYEHFF-RWMBFGLXSA-N 1 0 338.408 -1.393 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(Cl)nc1N ZINC001218766596 794022206 /nfs/dbraw/zinc/02/22/06/794022206.db2.gz FMKGYHIZVFCWMW-FSPLSTOPSA-N 1 0 328.760 -1.037 20 0 EAADRO COc1nc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c(C)c(OC)n1 ZINC001218767907 794023792 /nfs/dbraw/zinc/02/37/92/794023792.db2.gz DHBNXZVGBWXFMU-YUMQZZPRSA-N 1 0 327.341 -1.435 20 0 EAADRO COc1nc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c(C)c(OC)n1 ZINC001218768479 794024746 /nfs/dbraw/zinc/02/47/46/794024746.db2.gz LGXUODZCLTYOAM-UHFFFAOYSA-N 1 0 347.397 -1.039 20 0 EAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001218770012 794024208 /nfs/dbraw/zinc/02/42/08/794024208.db2.gz ACXFEWHSDPKVAE-YABSGUDNSA-N 1 0 346.391 -1.076 20 0 EAADRO N[C@@]1(C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)CC[NH2+]C1 ZINC001218770025 794024984 /nfs/dbraw/zinc/02/49/84/794024984.db2.gz APAOZJFLEPAFGL-HNNXBMFYSA-N 1 0 349.395 -1.850 20 0 EAADRO N[C@]1(C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)CC[NH2+]C1 ZINC001218770026 794024554 /nfs/dbraw/zinc/02/45/54/794024554.db2.gz APAOZJFLEPAFGL-OAHLLOKOSA-N 1 0 349.395 -1.850 20 0 EAADRO [NH3+][C@H]1CN[C@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)C1 ZINC001218770376 794023973 /nfs/dbraw/zinc/02/39/73/794023973.db2.gz FABLHPWXXVMYMW-MNOVXSKESA-N 1 0 349.395 -1.852 20 0 EAADRO [NH3+][C@@H]1CN[C@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)C1 ZINC001218770377 794024948 /nfs/dbraw/zinc/02/49/48/794024948.db2.gz FABLHPWXXVMYMW-QWRGUYRKSA-N 1 0 349.395 -1.852 20 0 EAADRO N[C@@H](CC[NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770572 794024510 /nfs/dbraw/zinc/02/45/10/794024510.db2.gz JCOJHGJGKNBQQQ-JTQLQIEISA-N 1 0 337.384 -1.865 20 0 EAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1C[NH2+]CCN1 ZINC001218770894 794024652 /nfs/dbraw/zinc/02/46/52/794024652.db2.gz OMJUUAWAYVXNJQ-LLVKDONJSA-N 1 0 349.395 -1.980 20 0 EAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1C[NH2+]CCN1 ZINC001218770895 794023875 /nfs/dbraw/zinc/02/38/75/794023875.db2.gz OMJUUAWAYVXNJQ-NSHDSACASA-N 1 0 349.395 -1.980 20 0 EAADRO [NH3+]C[C@@H](O)CC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770956 794025112 /nfs/dbraw/zinc/02/51/12/794025112.db2.gz QVJCSMQXNKCNIA-JTQLQIEISA-N 1 0 338.368 -1.832 20 0 EAADRO [NH3+]C[C@H](O)CC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770957 794023923 /nfs/dbraw/zinc/02/39/23/794023923.db2.gz QVJCSMQXNKCNIA-SNVBAGLBSA-N 1 0 338.368 -1.832 20 0 EAADRO [NH3+]CCNCC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771091 794024353 /nfs/dbraw/zinc/02/43/53/794024353.db2.gz RWFAQNGGQPJFQK-UHFFFAOYSA-N 1 0 337.384 -1.993 20 0 EAADRO CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 ZINC001218771636 794024042 /nfs/dbraw/zinc/02/40/42/794024042.db2.gz JSHWOJDTBZVIQQ-QWHCGFSZSA-N 1 0 339.392 -1.013 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccnn1Br ZINC001218771821 794024139 /nfs/dbraw/zinc/02/41/39/794024139.db2.gz GKILQSUBJHXRRJ-WDSKDSINSA-N 1 0 347.173 -1.313 20 0 EAADRO COCCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 ZINC001218772101 794024525 /nfs/dbraw/zinc/02/45/25/794024525.db2.gz WLHBQPNGTGYLLE-QWHCGFSZSA-N 1 0 339.392 -1.013 20 0 EAADRO CCc1c(NC(=O)[C@H]([NH3+])CCCNC(N)=O)c(C(N)=O)nn1C ZINC001218787770 794024492 /nfs/dbraw/zinc/02/44/92/794024492.db2.gz HCAXLQWPHOXHCZ-SSDOTTSWSA-N 1 0 325.373 -1.204 20 0 EAADRO CCc1c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c(C(N)=O)nn1C ZINC001218788652 794024303 /nfs/dbraw/zinc/02/43/03/794024303.db2.gz RRTDNZSVYNCPBV-UHFFFAOYSA-N 1 0 346.413 -1.760 20 0 EAADRO CCc1c(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c(C(N)=O)nn1C ZINC001218789035 794024719 /nfs/dbraw/zinc/02/47/19/794024719.db2.gz XXFLOISGNGVWLO-BQBZGAKWSA-N 1 0 326.357 -2.156 20 0 EAADRO COC(=O)c1ccc(OC)nc1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001218790821 794024368 /nfs/dbraw/zinc/02/43/68/794024368.db2.gz VKVYWZIJBCHPQK-CBAPKCEASA-N 1 0 340.336 -1.360 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1c[nH]ccc1=O ZINC001218792308 794024852 /nfs/dbraw/zinc/02/48/52/794024852.db2.gz XIBKKINYXLVVPQ-ONGXEEELSA-N 1 0 335.364 -1.232 20 0 EAADRO Cc1cncnc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218792806 794023825 /nfs/dbraw/zinc/02/38/25/794023825.db2.gz PJAZBQZROPIXGT-UHFFFAOYSA-N 1 0 337.340 -2.969 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1nc2n[nH]cc2c(Cl)n1 ZINC001218799481 794024872 /nfs/dbraw/zinc/02/48/72/794024872.db2.gz QYMPZQDZGBINDY-NJGYIYPDSA-N 1 0 327.732 -1.231 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 ZINC001218804331 794024435 /nfs/dbraw/zinc/02/44/35/794024435.db2.gz VZFSZSZWKTWGDJ-QWHCGFSZSA-N 1 0 337.428 -1.037 20 0 EAADRO COCCOc1cc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)ccn1 ZINC001218807016 794024688 /nfs/dbraw/zinc/02/46/88/794024688.db2.gz JKLHPBXFTIQFEO-ONGXEEELSA-N 1 0 326.353 -1.130 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 ZINC001218810624 794026471 /nfs/dbraw/zinc/02/64/71/794026471.db2.gz ZWTULOXVUNMQAL-QWHCGFSZSA-N 1 0 337.428 -1.037 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 ZINC001218814856 794026073 /nfs/dbraw/zinc/02/60/73/794026073.db2.gz XZJANFAYKVSXOE-NWDGAFQWSA-N 1 0 341.412 -1.565 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218816297 794025539 /nfs/dbraw/zinc/02/55/39/794025539.db2.gz QXCXKVMCUGCBIB-KWQFWETISA-N 1 0 336.348 -1.428 20 0 EAADRO CCOc1cc(C(N)=O)ccc1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001218816977 794025586 /nfs/dbraw/zinc/02/55/86/794025586.db2.gz YIRVHFJSYDCMHD-WPRPVWTQSA-N 1 0 338.364 -1.053 20 0 EAADRO Cc1ccc2c(c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CNC2=O ZINC001218820182 794025860 /nfs/dbraw/zinc/02/58/60/794025860.db2.gz PSMXTVMOLWOJPG-KWQFWETISA-N 1 0 347.375 -1.116 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821724 794026199 /nfs/dbraw/zinc/02/61/99/794026199.db2.gz FRQJJAMUNOKEKL-CABZTGNLSA-N 1 0 345.363 -1.087 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001218826245 794027039 /nfs/dbraw/zinc/02/70/39/794027039.db2.gz LHZDMSYYFZWFRU-FRRDWIJNSA-N 1 0 340.384 -2.018 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001218826246 794026849 /nfs/dbraw/zinc/02/68/49/794026849.db2.gz LHZDMSYYFZWFRU-RWMBFGLXSA-N 1 0 340.384 -2.018 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001218850429 794026379 /nfs/dbraw/zinc/02/63/79/794026379.db2.gz LQYCMMXBMQXCIQ-XVKPBYJWSA-N 1 0 349.347 -1.337 20 0 EAADRO O=C(CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)NCC(F)(F)F ZINC001218852181 794025985 /nfs/dbraw/zinc/02/59/85/794025985.db2.gz TYSURTFTSYMPFA-VHSXEESVSA-N 1 0 339.314 -1.041 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001218855528 794026266 /nfs/dbraw/zinc/02/62/66/794026266.db2.gz KVHKRDCHLSHACO-XVKPBYJWSA-N 1 0 346.351 -1.487 20 0 EAADRO COC(=O)Cc1ccc(O)c(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1 ZINC001218869079 794025626 /nfs/dbraw/zinc/02/56/26/794025626.db2.gz LGVXPSRTINJRJF-WPRPVWTQSA-N 1 0 339.348 -1.130 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nonc3C)[C@H]2C1 ZINC001218872890 794026823 /nfs/dbraw/zinc/02/68/23/794026823.db2.gz VUYZGXHAWUEVFO-FPMFFAJLSA-N 1 0 340.380 -1.161 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nonc3C)[C@H]2C1 ZINC001218872891 794026592 /nfs/dbraw/zinc/02/65/92/794026592.db2.gz VUYZGXHAWUEVFO-KWCYVHTRSA-N 1 0 340.380 -1.161 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218873842 794026170 /nfs/dbraw/zinc/02/61/70/794026170.db2.gz PMFXVCDSKMIAGW-GWCFXTLKSA-N 1 0 349.391 -1.614 20 0 EAADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218873884 794025364 /nfs/dbraw/zinc/02/53/64/794025364.db2.gz PUMOEYJZYPOMJC-AWEZNQCLSA-N 1 0 345.403 -1.108 20 0 EAADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218873885 794026526 /nfs/dbraw/zinc/02/65/26/794026526.db2.gz PUMOEYJZYPOMJC-CQSZACIVSA-N 1 0 345.403 -1.108 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc2c(cnn2CCO)c1 ZINC001218879131 794026251 /nfs/dbraw/zinc/02/62/51/794026251.db2.gz OAYMWEIYECWNNY-CABZTGNLSA-N 1 0 335.364 -1.209 20 0 EAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218880003 794025520 /nfs/dbraw/zinc/02/55/20/794025520.db2.gz PLAMWXWPQBDJND-NSHDSACASA-N 1 0 344.379 -1.246 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC001218880262 794026342 /nfs/dbraw/zinc/02/63/42/794026342.db2.gz BKOIBVUXVNXPHU-XVKPBYJWSA-N 1 0 333.352 -1.386 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCc3nncn3C)[C@H]2C1 ZINC001218880421 794025940 /nfs/dbraw/zinc/02/59/40/794025940.db2.gz FSSZINOAOUZSKR-FRRDWIJNSA-N 1 0 339.396 -1.376 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCc3nncn3C)[C@H]2C1 ZINC001218880425 794026398 /nfs/dbraw/zinc/02/63/98/794026398.db2.gz FSSZINOAOUZSKR-RWMBFGLXSA-N 1 0 339.396 -1.376 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218886610 794026904 /nfs/dbraw/zinc/02/69/04/794026904.db2.gz BGQQCXBGMAWVDE-QWHCGFSZSA-N 1 0 349.453 -1.438 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001218886723 794026794 /nfs/dbraw/zinc/02/67/94/794026794.db2.gz FOUZKNNXROBTFB-FRRDWIJNSA-N 1 0 349.453 -1.440 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001218886724 794026219 /nfs/dbraw/zinc/02/62/19/794026219.db2.gz FOUZKNNXROBTFB-RWMBFGLXSA-N 1 0 349.453 -1.440 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001218887345 794025912 /nfs/dbraw/zinc/02/59/12/794025912.db2.gz RDNMHTKOTWLEOL-QWHCGFSZSA-N 1 0 349.453 -1.174 20 0 EAADRO Cn1cnnc1COCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218887353 794028298 /nfs/dbraw/zinc/02/82/98/794028298.db2.gz RPOTYHPKVOUPLW-QWHCGFSZSA-N 1 0 339.396 -1.374 20 0 EAADRO Cn1ncnc1COCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218887517 794027544 /nfs/dbraw/zinc/02/75/44/794027544.db2.gz XIRAIYFWMHGWGT-QWHCGFSZSA-N 1 0 339.396 -1.374 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCc3ncnn3C)[C@H]2C1 ZINC001218887543 794028846 /nfs/dbraw/zinc/02/88/46/794028846.db2.gz YYYYMRFQZYYZJL-FRRDWIJNSA-N 1 0 339.396 -1.376 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCc3ncnn3C)[C@H]2C1 ZINC001218887544 794027777 /nfs/dbraw/zinc/02/77/77/794027777.db2.gz YYYYMRFQZYYZJL-RWMBFGLXSA-N 1 0 339.396 -1.376 20 0 EAADRO CS(=O)(=O)N(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)c1cccc(N)c1 ZINC001218887576 794027973 /nfs/dbraw/zinc/02/79/73/794027973.db2.gz JWDNMSDBNQAYJX-GFCCVEGCSA-N 1 0 340.405 -1.108 20 0 EAADRO CS(=O)(=O)N(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)c1cccc(N)c1 ZINC001218887577 794027844 /nfs/dbraw/zinc/02/78/44/794027844.db2.gz JWDNMSDBNQAYJX-LBPRGKRZSA-N 1 0 340.405 -1.108 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(c1cccc(N)c1)S(C)(=O)=O ZINC001218887658 794028908 /nfs/dbraw/zinc/02/89/08/794028908.db2.gz MMPIPHOVNHKWRT-KWQFWETISA-N 1 0 344.393 -1.614 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 ZINC001218911534 794028996 /nfs/dbraw/zinc/02/89/96/794028996.db2.gz HSZSKQSQDLMMFB-QWHCGFSZSA-N 1 0 337.428 -1.037 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 ZINC001218911864 794027501 /nfs/dbraw/zinc/02/75/01/794027501.db2.gz NXWMIFQPLDPPOE-QWHCGFSZSA-N 1 0 337.428 -1.037 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218912776 794027760 /nfs/dbraw/zinc/02/77/60/794027760.db2.gz DMRYBFRISGVETC-NSHDSACASA-N 1 0 341.393 -1.196 20 0 EAADRO Cc1ccc(C(N)=O)cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218913277 794028889 /nfs/dbraw/zinc/02/88/89/794028889.db2.gz KFWHPCMWXYDNQC-KWQFWETISA-N 1 0 335.364 -1.260 20 0 EAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218913592 794027955 /nfs/dbraw/zinc/02/79/55/794027955.db2.gz NCUPGKRQATWKLD-GWNMQOMSSA-N 1 0 334.423 -1.049 20 0 EAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218913593 794028425 /nfs/dbraw/zinc/02/84/25/794028425.db2.gz NCUPGKRQATWKLD-LXGOIASLSA-N 1 0 334.423 -1.049 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218914436 794028607 /nfs/dbraw/zinc/02/86/07/794028607.db2.gz BUZHPCBPASYPQE-CQFDHEJISA-N 1 0 325.394 -1.195 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218915168 794029093 /nfs/dbraw/zinc/02/90/93/794029093.db2.gz KHQSXEKFKYYFEJ-AMIZOPFISA-N 1 0 325.394 -1.194 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218915178 794028246 /nfs/dbraw/zinc/02/82/46/794028246.db2.gz KHQSXEKFKYYFEJ-ISVAXAHUSA-N 1 0 325.394 -1.194 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218915179 794027394 /nfs/dbraw/zinc/02/73/94/794027394.db2.gz KHQSXEKFKYYFEJ-OQPBUACISA-N 1 0 325.394 -1.194 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218915182 794028389 /nfs/dbraw/zinc/02/83/89/794028389.db2.gz KHQSXEKFKYYFEJ-SDBXPKJASA-N 1 0 325.394 -1.194 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218915506 794027568 /nfs/dbraw/zinc/02/75/68/794027568.db2.gz QJUTZHQZLDGRGE-LLVKDONJSA-N 1 0 341.393 -1.815 20 0 EAADRO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218915507 794028868 /nfs/dbraw/zinc/02/88/68/794028868.db2.gz QJUTZHQZLDGRGE-NSHDSACASA-N 1 0 341.393 -1.815 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 ZINC001218918654 794027671 /nfs/dbraw/zinc/02/76/71/794027671.db2.gz IPPSBDWTKHZFTI-NWDGAFQWSA-N 1 0 341.412 -1.565 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc(N)cc1CCO ZINC001218919009 794027689 /nfs/dbraw/zinc/02/76/89/794027689.db2.gz KIPICTGHTWPGKJ-UHFFFAOYSA-N 1 0 330.410 -1.038 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cc(N)ccc1OCCO ZINC001218919740 794027591 /nfs/dbraw/zinc/02/75/91/794027591.db2.gz RBEQQXBTSYUMFW-UHFFFAOYSA-N 1 0 346.409 -1.201 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nnc[nH]3)[C@H]2C1 ZINC001218925831 794029012 /nfs/dbraw/zinc/02/90/12/794029012.db2.gz USNYUNOZGUDYPX-GRYCIOLGSA-N 1 0 325.369 -1.734 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nnc[nH]3)[C@H]2C1 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C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1oc2ccc(N)cc2c1=N ZINC001219138675 794046416 /nfs/dbraw/zinc/04/64/16/794046416.db2.gz SIJKCSAFQWAMPZ-RCOVLWMOSA-N 1 0 334.336 -1.356 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219145367 794046430 /nfs/dbraw/zinc/04/64/30/794046430.db2.gz MIKAJALLWSQZBT-MNOVXSKESA-N 1 0 328.369 -1.874 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@@H]1O ZINC001219145439 794046887 /nfs/dbraw/zinc/04/68/87/794046887.db2.gz PNVIJMCSXOXJPT-CFVMTHIKSA-N 1 0 346.424 -1.259 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@@H]1O ZINC001219145440 794046246 /nfs/dbraw/zinc/04/62/46/794046246.db2.gz PNVIJMCSXOXJPT-YUELXQCFSA-N 1 0 346.424 -1.259 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001219145447 794046552 /nfs/dbraw/zinc/04/65/52/794046552.db2.gz PQLZYTSRSLUCBF-UPJWGTAASA-N 1 0 349.453 -1.534 20 0 EAADRO CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001219145448 794045315 /nfs/dbraw/zinc/04/53/15/794045315.db2.gz PQLZYTSRSLUCBF-XQQFMLRXSA-N 1 0 349.453 -1.534 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219148767 794047303 /nfs/dbraw/zinc/04/73/03/794047303.db2.gz JBAHTRFLBYFPCM-GDLCADMTSA-N 1 0 336.392 -1.429 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219148768 794048009 /nfs/dbraw/zinc/04/80/09/794048009.db2.gz JBAHTRFLBYFPCM-HONMWMINSA-N 1 0 336.392 -1.429 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151845 794048081 /nfs/dbraw/zinc/04/80/81/794048081.db2.gz SBINDARNNJGBHN-GDLCADMTSA-N 1 0 344.412 -2.175 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151846 794048304 /nfs/dbraw/zinc/04/83/04/794048304.db2.gz SBINDARNNJGBHN-HONMWMINSA-N 1 0 344.412 -2.175 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219153176 794048859 /nfs/dbraw/zinc/04/88/59/794048859.db2.gz CBYAQDQYZMWNCC-BNOWGMLFSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219153177 794049310 /nfs/dbraw/zinc/04/93/10/794049310.db2.gz CBYAQDQYZMWNCC-YUTCNCBUSA-N 1 0 340.424 -1.315 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219158461 794049204 /nfs/dbraw/zinc/04/92/04/794049204.db2.gz BZNDMVKUYKSVAK-UPJWGTAASA-N 1 0 340.384 -1.970 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219158462 794049654 /nfs/dbraw/zinc/04/96/54/794049654.db2.gz BZNDMVKUYKSVAK-XQQFMLRXSA-N 1 0 340.384 -1.970 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158574 794048935 /nfs/dbraw/zinc/04/89/35/794048935.db2.gz HUXWXWIDIBEZAF-NEPJUHHUSA-N 1 0 341.372 -3.013 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158873 794050710 /nfs/dbraw/zinc/05/07/10/794050710.db2.gz STGSWVJSNGFCLW-TUAOUCFPSA-N 1 0 344.372 -3.142 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158874 794051262 /nfs/dbraw/zinc/05/12/62/794051262.db2.gz STGSWVJSNGFCLW-UTUOFQBUSA-N 1 0 344.372 -3.142 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219158877 794051862 /nfs/dbraw/zinc/05/18/62/794051862.db2.gz SZVXFBSGUHFFEQ-OLZOCXBDSA-N 1 0 349.399 -1.704 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158984 794050685 /nfs/dbraw/zinc/05/06/85/794050685.db2.gz YBUNWYHXONZOIY-UPJWGTAASA-N 1 0 342.400 -2.132 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158985 794050898 /nfs/dbraw/zinc/05/08/98/794050898.db2.gz YBUNWYHXONZOIY-XQQFMLRXSA-N 1 0 342.400 -2.132 20 0 EAADRO CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158994 794051967 /nfs/dbraw/zinc/05/19/67/794051967.db2.gz YPVIZCSLKRGCRI-OLZOCXBDSA-N 1 0 326.401 -1.103 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219163002 794051718 /nfs/dbraw/zinc/05/17/18/794051718.db2.gz BDSCAZLSCGQTSE-TUAOUCFPSA-N 1 0 330.385 -1.988 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219163003 794051627 /nfs/dbraw/zinc/05/16/27/794051627.db2.gz BDSCAZLSCGQTSE-UTUOFQBUSA-N 1 0 330.385 -1.988 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163049 794050462 /nfs/dbraw/zinc/05/04/62/794050462.db2.gz CZBLIAFLMCGVOG-TUAOUCFPSA-N 1 0 332.401 -2.151 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163050 794051697 /nfs/dbraw/zinc/05/16/97/794051697.db2.gz CZBLIAFLMCGVOG-UTUOFQBUSA-N 1 0 332.401 -2.151 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001219163139 794051322 /nfs/dbraw/zinc/05/13/22/794051322.db2.gz HFJLSVRNBWRRJN-MCIONIFRSA-N 1 0 342.396 -1.781 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001219163140 794052006 /nfs/dbraw/zinc/05/20/06/794052006.db2.gz HFJLSVRNBWRRJN-MJBXVCDLSA-N 1 0 342.396 -1.781 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219163160 794051929 /nfs/dbraw/zinc/05/19/29/794051929.db2.gz IJDNCMPHYKOHIB-BDAKNGLRSA-N 1 0 342.356 -3.242 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219163227 794050734 /nfs/dbraw/zinc/05/07/34/794050734.db2.gz KZMIPXOJAQZPFO-NEPJUHHUSA-N 1 0 339.400 -1.722 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219163392 794053512 /nfs/dbraw/zinc/05/35/12/794053512.db2.gz RLKLAKLIFMCJBV-BDAKNGLRSA-N 1 0 342.318 -1.215 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001219163582 794053418 /nfs/dbraw/zinc/05/34/18/794053418.db2.gz ZKYKAFUUWOHTBM-KGLIPLIRSA-N 1 0 348.403 -1.006 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219164989 794053788 /nfs/dbraw/zinc/05/37/88/794053788.db2.gz AHONKDOLVQXNPU-AXFHLTTASA-N 1 0 326.357 -2.926 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219164990 794053635 /nfs/dbraw/zinc/05/36/35/794053635.db2.gz AHONKDOLVQXNPU-MXWKQRLJSA-N 1 0 326.357 -2.926 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219165125 794052460 /nfs/dbraw/zinc/05/24/60/794052460.db2.gz GVPFCLFYJXTUQY-MNOVXSKESA-N 1 0 327.385 -2.172 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCSC)[C@@H](O)C1 ZINC001219165313 794053102 /nfs/dbraw/zinc/05/31/02/794053102.db2.gz OAOWNLFPJOFRTL-UPJWGTAASA-N 1 0 336.454 -1.075 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCSC)[C@@H](O)C1 ZINC001219165314 794053001 /nfs/dbraw/zinc/05/30/01/794053001.db2.gz OAOWNLFPJOFRTL-XQQFMLRXSA-N 1 0 336.454 -1.075 20 0 EAADRO CSCCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219167030 794052214 /nfs/dbraw/zinc/05/22/14/794052214.db2.gz DYDHZXKVMXELHJ-MNOVXSKESA-N 1 0 344.437 -1.157 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168599 794054670 /nfs/dbraw/zinc/05/46/70/794054670.db2.gz HYGAJTYETFZFPU-MNOVXSKESA-N 1 0 331.373 -3.031 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168607 794055069 /nfs/dbraw/zinc/05/50/69/794055069.db2.gz IIGHYJAHGBXMDV-AXFHLTTASA-N 1 0 334.373 -3.160 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168608 794054632 /nfs/dbraw/zinc/05/46/32/794054632.db2.gz IIGHYJAHGBXMDV-MXWKQRLJSA-N 1 0 334.373 -3.160 20 0 EAADRO Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168708 794054751 /nfs/dbraw/zinc/05/47/51/794054751.db2.gz KYKXDKVPHACMON-ZJUUUORDSA-N 1 0 327.410 -1.176 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219168868 794054961 /nfs/dbraw/zinc/05/49/61/794054961.db2.gz PNVLDRGIRVSHKI-MCIONIFRSA-N 1 0 336.392 -1.580 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219168871 794055696 /nfs/dbraw/zinc/05/56/96/794055696.db2.gz PNVLDRGIRVSHKI-MJBXVCDLSA-N 1 0 336.392 -1.580 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219169068 794056140 /nfs/dbraw/zinc/05/61/40/794056140.db2.gz UVXNWSLFBRCIHU-AXFHLTTASA-N 1 0 327.385 -2.268 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219169069 794056269 /nfs/dbraw/zinc/05/62/69/794056269.db2.gz UVXNWSLFBRCIHU-MXWKQRLJSA-N 1 0 327.385 -2.268 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219169077 794056003 /nfs/dbraw/zinc/05/60/03/794056003.db2.gz VNVCDLKDSXZBOG-AGIUHOORSA-N 1 0 328.413 -1.243 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219169078 794056095 /nfs/dbraw/zinc/05/60/95/794056095.db2.gz VNVCDLKDSXZBOG-UPJWGTAASA-N 1 0 328.413 -1.243 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001219175587 794055955 /nfs/dbraw/zinc/05/59/55/794055955.db2.gz MMQWZYZGIPNSCS-BNOWGMLFSA-N 1 0 327.381 -1.187 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001219175588 794056333 /nfs/dbraw/zinc/05/63/33/794056333.db2.gz MMQWZYZGIPNSCS-YUTCNCBUSA-N 1 0 327.381 -1.187 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219177784 794056628 /nfs/dbraw/zinc/05/66/28/794056628.db2.gz WETHJJRRQOBVMO-KGLIPLIRSA-N 1 0 339.396 -1.803 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219180805 794058700 /nfs/dbraw/zinc/05/87/00/794058700.db2.gz PQKNFUHTPJMXNX-MCIONIFRSA-N 1 0 342.396 -1.932 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219180806 794058114 /nfs/dbraw/zinc/05/81/14/794058114.db2.gz PQKNFUHTPJMXNX-MJBXVCDLSA-N 1 0 342.396 -1.932 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001219185896 794058062 /nfs/dbraw/zinc/05/80/62/794058062.db2.gz LUFBVWIBERHUQN-GUTXKFCHSA-N 1 0 341.408 -1.176 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001219185897 794058469 /nfs/dbraw/zinc/05/84/69/794058469.db2.gz LUFBVWIBERHUQN-NFAWXSAZSA-N 1 0 341.408 -1.176 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)cc1=O ZINC001219191062 794057962 /nfs/dbraw/zinc/05/79/62/794057962.db2.gz JALBZAPCEPPJDU-KGLIPLIRSA-N 1 0 346.391 -1.272 20 0 EAADRO O=C(CCn1cccn1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219194161 794058642 /nfs/dbraw/zinc/05/86/42/794058642.db2.gz CWZFGAZZCRKCSL-KFWWJZLASA-N 1 0 348.407 -1.308 20 0 EAADRO O=C(CCn1cccn1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219194162 794057594 /nfs/dbraw/zinc/05/75/94/794057594.db2.gz CWZFGAZZCRKCSL-ZNMIVQPWSA-N 1 0 348.407 -1.308 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219201179 794060422 /nfs/dbraw/zinc/06/04/22/794060422.db2.gz UMQASNGLHDPIAP-MCIONIFRSA-N 1 0 349.395 -1.913 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219201180 794060756 /nfs/dbraw/zinc/06/07/56/794060756.db2.gz UMQASNGLHDPIAP-MJBXVCDLSA-N 1 0 349.395 -1.913 20 0 EAADRO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206618 794059874 /nfs/dbraw/zinc/05/98/74/794059874.db2.gz BJSDWVAWUFQHKE-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)cn1 ZINC001219206902 794059630 /nfs/dbraw/zinc/05/96/30/794059630.db2.gz PEMJUQGQWWASTE-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO COCCOCC[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206913 794060394 /nfs/dbraw/zinc/06/03/94/794060394.db2.gz PPBPVQZUWAHSAW-OLZOCXBDSA-N 1 0 327.385 -1.508 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219206991 794060677 /nfs/dbraw/zinc/06/06/77/794060677.db2.gz SNPJIEOJNRMZIQ-UPJWGTAASA-N 1 0 346.395 -1.392 20 0 EAADRO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219206992 794059506 /nfs/dbraw/zinc/05/95/06/794059506.db2.gz SNPJIEOJNRMZIQ-XQQFMLRXSA-N 1 0 346.395 -1.392 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001219219653 794061984 /nfs/dbraw/zinc/06/19/84/794061984.db2.gz GQQGKTZPTMIXJA-RTXFEEFZSA-N 1 0 328.369 -1.792 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001219219654 794061931 /nfs/dbraw/zinc/06/19/31/794061931.db2.gz GQQGKTZPTMIXJA-UHTWSYAYSA-N 1 0 328.369 -1.792 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219222112 794063370 /nfs/dbraw/zinc/06/33/70/794063370.db2.gz VUZACIQRZQDXTC-KGLIPLIRSA-N 1 0 336.392 -1.475 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219223099 794063662 /nfs/dbraw/zinc/06/36/62/794063662.db2.gz COPSUTAURXORCK-KFWWJZLASA-N 1 0 343.424 -1.178 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219223101 794063800 /nfs/dbraw/zinc/06/38/00/794063800.db2.gz COPSUTAURXORCK-ZNMIVQPWSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219223526 794063004 /nfs/dbraw/zinc/06/30/04/794063004.db2.gz MOVOLZMLULUOPW-MCIONIFRSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219223527 794063247 /nfs/dbraw/zinc/06/32/47/794063247.db2.gz MOVOLZMLULUOPW-MJBXVCDLSA-N 1 0 340.424 -1.458 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223603 794063524 /nfs/dbraw/zinc/06/35/24/794063524.db2.gz ORLWLWVCHBNSOL-MCIONIFRSA-N 1 0 347.412 -2.350 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223605 794063153 /nfs/dbraw/zinc/06/31/53/794063153.db2.gz ORLWLWVCHBNSOL-MJBXVCDLSA-N 1 0 347.412 -2.350 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001219223673 794063198 /nfs/dbraw/zinc/06/31/98/794063198.db2.gz QNSNAFXCIWCBNA-KFWWJZLASA-N 1 0 345.440 -1.341 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001219223676 794063129 /nfs/dbraw/zinc/06/31/29/794063129.db2.gz QNSNAFXCIWCBNA-ZNMIVQPWSA-N 1 0 345.440 -1.341 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223750 794063087 /nfs/dbraw/zinc/06/30/87/794063087.db2.gz RVBOUOLBVVCJMC-KGLIPLIRSA-N 1 0 344.412 -2.221 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219223798 794062694 /nfs/dbraw/zinc/06/26/94/794062694.db2.gz TUVPNVVDHAUDNQ-UPJWGTAASA-N 1 0 336.396 -1.595 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219223799 794063175 /nfs/dbraw/zinc/06/31/75/794063175.db2.gz TUVPNVVDHAUDNQ-XQQFMLRXSA-N 1 0 336.396 -1.595 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219224504 794064728 /nfs/dbraw/zinc/06/47/28/794064728.db2.gz DAPGYXTUBBGPMA-KGLIPLIRSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219225249 794064755 /nfs/dbraw/zinc/06/47/55/794064755.db2.gz XBOFAXCUQMEASL-MCIONIFRSA-N 1 0 339.396 -2.116 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219225250 794064866 /nfs/dbraw/zinc/06/48/66/794064866.db2.gz XBOFAXCUQMEASL-MJBXVCDLSA-N 1 0 339.396 -2.116 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@@H](O)C1 ZINC001219230144 794064850 /nfs/dbraw/zinc/06/48/50/794064850.db2.gz PTUYUHSYNFLRES-KFWWJZLASA-N 1 0 348.440 -1.013 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@@H](O)C1 ZINC001219230148 794065322 /nfs/dbraw/zinc/06/53/22/794065322.db2.gz PTUYUHSYNFLRES-ZNMIVQPWSA-N 1 0 348.440 -1.013 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](O)C1 ZINC001219237561 794064390 /nfs/dbraw/zinc/06/43/90/794064390.db2.gz CIDDARSGJMKXTC-KFWWJZLASA-N 1 0 343.424 -1.131 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](O)C1 ZINC001219237562 794064677 /nfs/dbraw/zinc/06/46/77/794064677.db2.gz CIDDARSGJMKXTC-ZNMIVQPWSA-N 1 0 343.424 -1.131 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001219237904 794065548 /nfs/dbraw/zinc/06/55/48/794065548.db2.gz ORTNTRLTVFLDIK-UPJWGTAASA-N 1 0 328.369 -1.792 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001219237905 794064774 /nfs/dbraw/zinc/06/47/74/794064774.db2.gz ORTNTRLTVFLDIK-XQQFMLRXSA-N 1 0 328.369 -1.792 20 0 EAADRO O=C(COCC1CC1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219238055 794065166 /nfs/dbraw/zinc/06/51/66/794065166.db2.gz UHNZWSPOVODZEL-KFWWJZLASA-N 1 0 338.408 -1.168 20 0 EAADRO O=C(COCC1CC1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219238056 794065201 /nfs/dbraw/zinc/06/52/01/794065201.db2.gz UHNZWSPOVODZEL-ZNMIVQPWSA-N 1 0 338.408 -1.168 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)CNC(=O)C3CC3)[C@@H](O)C2)cc1=O ZINC001219240423 794067079 /nfs/dbraw/zinc/06/70/79/794067079.db2.gz MWANKKBUMIYDII-KGLIPLIRSA-N 1 0 348.403 -1.427 20 0 EAADRO CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001219248501 794066541 /nfs/dbraw/zinc/06/65/41/794066541.db2.gz XBRPMVWZIIHVRX-KFWWJZLASA-N 1 0 348.440 -1.012 20 0 EAADRO CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001219248502 794066789 /nfs/dbraw/zinc/06/67/89/794066789.db2.gz XBRPMVWZIIHVRX-ZNMIVQPWSA-N 1 0 348.440 -1.012 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253121 794068340 /nfs/dbraw/zinc/06/83/40/794068340.db2.gz FBGXMUXWCJDJIK-KFWWJZLASA-N 1 0 346.424 -1.402 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253122 794067919 /nfs/dbraw/zinc/06/79/19/794067919.db2.gz FBGXMUXWCJDJIK-ZNMIVQPWSA-N 1 0 346.424 -1.402 20 0 EAADRO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257692 794068727 /nfs/dbraw/zinc/06/87/27/794068727.db2.gz PFAABQORTOZJJH-KGLIPLIRSA-N 1 0 335.408 -1.350 20 0 EAADRO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CNC(=O)C3CC3)[C@@H](O)C2)cn1 ZINC001219257759 794068562 /nfs/dbraw/zinc/06/85/62/794068562.db2.gz SDCQMQCHWKYPNJ-KGLIPLIRSA-N 1 0 335.408 -1.350 20 0 EAADRO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219259335 794068214 /nfs/dbraw/zinc/06/82/14/794068214.db2.gz BFTNGGYXFCNWAC-UPJWGTAASA-N 1 0 348.407 -1.547 20 0 EAADRO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219259336 794070129 /nfs/dbraw/zinc/07/01/29/794070129.db2.gz BFTNGGYXFCNWAC-XQQFMLRXSA-N 1 0 348.407 -1.547 20 0 EAADRO COCCCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219263175 794070440 /nfs/dbraw/zinc/07/04/40/794070440.db2.gz AWKXGCVEJMWYJM-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO COCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001219263436 794070539 /nfs/dbraw/zinc/07/05/39/794070539.db2.gz ODQCGPWGWLDVPO-MCIONIFRSA-N 1 0 334.413 -1.402 20 0 EAADRO COCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001219263437 794069781 /nfs/dbraw/zinc/06/97/81/794069781.db2.gz ODQCGPWGWLDVPO-MJBXVCDLSA-N 1 0 334.413 -1.402 20 0 EAADRO COCCCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219263589 794069864 /nfs/dbraw/zinc/06/98/64/794069864.db2.gz WANOBMRAKSYXQO-KGLIPLIRSA-N 1 0 331.413 -1.273 20 0 EAADRO COCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219264537 794069205 /nfs/dbraw/zinc/06/92/05/794069205.db2.gz HXVIZLXPVMYLHL-MCIONIFRSA-N 1 0 326.397 -1.168 20 0 EAADRO COCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219264538 794070637 /nfs/dbraw/zinc/07/06/37/794070637.db2.gz HXVIZLXPVMYLHL-MJBXVCDLSA-N 1 0 326.397 -1.168 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219270065 794071489 /nfs/dbraw/zinc/07/14/89/794071489.db2.gz WTWSAGADFKFCDL-BNOWGMLFSA-N 1 0 342.396 -1.483 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219270066 794071411 /nfs/dbraw/zinc/07/14/11/794071411.db2.gz WTWSAGADFKFCDL-YUTCNCBUSA-N 1 0 342.396 -1.483 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219271396 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342.396 -1.580 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219274821 794072571 /nfs/dbraw/zinc/07/25/71/794072571.db2.gz JXUDNHNZJVHILV-UTUOFQBUSA-N 1 0 342.396 -1.580 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001219274975 794073541 /nfs/dbraw/zinc/07/35/41/794073541.db2.gz PUQVRQXQVSZHRZ-UPJWGTAASA-N 1 0 347.412 -1.463 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001219274976 794073594 /nfs/dbraw/zinc/07/35/94/794073594.db2.gz PUQVRQXQVSZHRZ-XQQFMLRXSA-N 1 0 347.412 -1.463 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274988 794072813 /nfs/dbraw/zinc/07/28/13/794072813.db2.gz QHHMTOOYDNQTBS-TUAOUCFPSA-N 1 0 349.384 -2.472 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274989 794072427 /nfs/dbraw/zinc/07/24/27/794072427.db2.gz QHHMTOOYDNQTBS-UTUOFQBUSA-N 1 0 349.384 -2.472 20 0 EAADRO 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ZINC001219630540 794147394 /nfs/dbraw/zinc/14/73/94/794147394.db2.gz DTCPAPBBUUJKGE-XQQFMLRXSA-N 1 0 342.440 -1.036 20 0 EAADRO C[C@H]1OCC[C@H]1CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219634072 794148306 /nfs/dbraw/zinc/14/83/06/794148306.db2.gz MLKJQPSGVMFZLK-ZJUUUORDSA-N 1 0 343.384 -3.165 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1CCO[C@@H]1C ZINC001219634076 794148981 /nfs/dbraw/zinc/14/89/81/794148981.db2.gz MQVOAXFFAWXBHE-RNJOBUHISA-N 1 0 340.424 -1.018 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001219636366 794148345 /nfs/dbraw/zinc/14/83/45/794148345.db2.gz CSIDCCXWDRHELB-NEPJUHHUSA-N 1 0 341.408 -1.031 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001219637131 794148774 /nfs/dbraw/zinc/14/87/74/794148774.db2.gz VPUYDMFHQJPDGW-NEPJUHHUSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](O)C1 ZINC001219637740 794148560 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326.401 -1.103 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638258 794148608 /nfs/dbraw/zinc/14/86/08/794148608.db2.gz RTNOBWSNYIVSEV-UPJWGTAASA-N 1 0 342.400 -2.132 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638259 794148047 /nfs/dbraw/zinc/14/80/47/794148047.db2.gz RTNOBWSNYIVSEV-XQQFMLRXSA-N 1 0 342.400 -2.132 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219638359 794148690 /nfs/dbraw/zinc/14/86/90/794148690.db2.gz UHWSETVOMBFPES-UPJWGTAASA-N 1 0 340.384 -1.970 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219638360 794148322 /nfs/dbraw/zinc/14/83/22/794148322.db2.gz UHWSETVOMBFPES-XQQFMLRXSA-N 1 0 340.384 -1.970 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638439 794148379 /nfs/dbraw/zinc/14/83/79/794148379.db2.gz UXGYOIMNWKHYAN-TUAOUCFPSA-N 1 0 344.372 -3.142 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638443 794147932 /nfs/dbraw/zinc/14/79/32/794147932.db2.gz UXGYOIMNWKHYAN-UTUOFQBUSA-N 1 0 344.372 -3.142 20 0 EAADRO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219638445 794148066 /nfs/dbraw/zinc/14/80/66/794148066.db2.gz UYAOBXYKSYCYNM-OLZOCXBDSA-N 1 0 326.397 -1.041 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638621 794148631 /nfs/dbraw/zinc/14/86/31/794148631.db2.gz YHXVGSRQOMDSTG-NEPJUHHUSA-N 1 0 341.372 -3.013 20 0 EAADRO C[C@H]1C[NH2+]C[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001219639428 794148644 /nfs/dbraw/zinc/14/86/44/794148644.db2.gz YSGYZSUXWSTWPK-GHMZBOCLSA-N 1 0 348.407 -1.205 20 0 EAADRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001219639429 794148938 /nfs/dbraw/zinc/14/89/38/794148938.db2.gz YSGYZSUXWSTWPK-MNOVXSKESA-N 1 0 348.407 -1.205 20 0 EAADRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001219639430 794147970 /nfs/dbraw/zinc/14/79/70/794147970.db2.gz YSGYZSUXWSTWPK-QWRGUYRKSA-N 1 0 348.407 -1.205 20 0 EAADRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001219639431 794148722 /nfs/dbraw/zinc/14/87/22/794148722.db2.gz YSGYZSUXWSTWPK-WDEREUQCSA-N 1 0 348.407 -1.205 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643290 794150287 /nfs/dbraw/zinc/15/02/87/794150287.db2.gz NXPLOZWAFGRFCB-TUAOUCFPSA-N 1 0 339.396 -2.316 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643291 794150667 /nfs/dbraw/zinc/15/06/67/794150667.db2.gz NXPLOZWAFGRFCB-UTUOFQBUSA-N 1 0 339.396 -2.316 20 0 EAADRO O=C(N[C@@H]1CN(CCOCCO)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001219643473 794149871 /nfs/dbraw/zinc/14/98/71/794149871.db2.gz VJXLPSOPBZQXBH-KFWWJZLASA-N 1 0 327.425 -1.502 20 0 EAADRO O=C(N[C@@H]1CN(CCOCCO)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001219643474 794150034 /nfs/dbraw/zinc/15/00/34/794150034.db2.gz VJXLPSOPBZQXBH-ZNMIVQPWSA-N 1 0 327.425 -1.502 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643566 794150050 /nfs/dbraw/zinc/15/00/50/794150050.db2.gz YNKBTUDDCJMJIT-KFWWJZLASA-N 1 0 338.452 -1.032 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643567 794149955 /nfs/dbraw/zinc/14/99/55/794149955.db2.gz YNKBTUDDCJMJIT-ZNMIVQPWSA-N 1 0 338.452 -1.032 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001219644908 794149679 /nfs/dbraw/zinc/14/96/79/794149679.db2.gz BIXAGCZZDKXYMO-AXFHLTTASA-N 1 0 326.340 -1.173 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001219644909 794149805 /nfs/dbraw/zinc/14/98/05/794149805.db2.gz BIXAGCZZDKXYMO-MXWKQRLJSA-N 1 0 326.340 -1.173 20 0 EAADRO O=C(CCOCC(F)F)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219645588 794150436 /nfs/dbraw/zinc/15/04/36/794150436.db2.gz OMGINLDMTXHOPB-MNOVXSKESA-N 1 0 326.340 -1.172 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219656057 794151746 /nfs/dbraw/zinc/15/17/46/794151746.db2.gz IYPJJWZCIMBHDF-SYQHCUMBSA-N 1 0 347.481 -1.077 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656205 794152274 /nfs/dbraw/zinc/15/22/74/794152274.db2.gz PVMINXBXJJMDEC-KKOKHZNYSA-N 1 0 341.412 -2.057 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219656227 794151189 /nfs/dbraw/zinc/15/11/89/794151189.db2.gz QVYJINJAAZQBGI-LPWJVIDDSA-N 1 0 348.469 -1.963 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656240 794152047 /nfs/dbraw/zinc/15/20/47/794152047.db2.gz RETTUFKFNZTDKR-SYQHCUMBSA-N 1 0 326.441 -1.034 20 0 EAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219656369 794152140 /nfs/dbraw/zinc/15/21/40/794152140.db2.gz ZUEPKUNCFLSHQP-DBIOUOCHSA-N 1 0 327.385 -2.317 20 0 EAADRO 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SLCRNWVFLPOXIF-MNOVXSKESA-N 1 0 340.384 -2.037 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001219661170 794151616 /nfs/dbraw/zinc/15/16/16/794151616.db2.gz YLOBXUZVCDAIHZ-ZJUUUORDSA-N 1 0 326.357 -2.425 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H](O)C1 ZINC001219662760 794151450 /nfs/dbraw/zinc/15/14/50/794151450.db2.gz MAORNWYEPKMDQL-BIMULSAOSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H](O)C1 ZINC001219662761 794151160 /nfs/dbraw/zinc/15/11/60/794151160.db2.gz MAORNWYEPKMDQL-WQAKAFBOSA-N 1 0 335.364 -1.260 20 0 EAADRO COC(=O)c1csc(CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001219666158 794152157 /nfs/dbraw/zinc/15/21/57/794152157.db2.gz FBWTWYXUDKGLTN-MRVPVSSYSA-N 1 0 326.378 -1.124 20 0 EAADRO COC(=O)c1csc(CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001219666159 794151504 /nfs/dbraw/zinc/15/15/04/794151504.db2.gz FBWTWYXUDKGLTN-QMMMGPOBSA-N 1 0 326.378 -1.124 20 0 EAADRO 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/nfs/dbraw/zinc/15/96/87/794159687.db2.gz WGOAKCVEMGFOJM-CHWSQXEVSA-N 1 0 345.465 -1.152 20 0 EAADRO CN1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695538 794159547 /nfs/dbraw/zinc/15/95/47/794159547.db2.gz WGOAKCVEMGFOJM-OLZOCXBDSA-N 1 0 345.465 -1.152 20 0 EAADRO CN1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695539 794159535 /nfs/dbraw/zinc/15/95/35/794159535.db2.gz WGOAKCVEMGFOJM-QWHCGFSZSA-N 1 0 345.465 -1.152 20 0 EAADRO CN1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695540 794159518 /nfs/dbraw/zinc/15/95/18/794159518.db2.gz WGOAKCVEMGFOJM-STQMWFEESA-N 1 0 345.465 -1.152 20 0 EAADRO CN1CCO[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219695765 794159343 /nfs/dbraw/zinc/15/93/43/794159343.db2.gz XZSMYHLFDYPDGG-NEPJUHHUSA-N 1 0 330.429 -1.308 20 0 EAADRO CN1CCO[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219695767 794159293 /nfs/dbraw/zinc/15/92/93/794159293.db2.gz XZSMYHLFDYPDGG-RYUDHWBXSA-N 1 0 330.429 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794161333 /nfs/dbraw/zinc/16/13/33/794161333.db2.gz SLDHNFRMMIDDQM-XQQFMLRXSA-N 1 0 343.384 -2.537 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705093 794160625 /nfs/dbraw/zinc/16/06/25/794160625.db2.gz TWXCAKMLFUKUAC-MCIONIFRSA-N 1 0 341.412 -1.527 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705094 794160701 /nfs/dbraw/zinc/16/07/01/794160701.db2.gz TWXCAKMLFUKUAC-MJBXVCDLSA-N 1 0 341.412 -1.527 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219705136 794160986 /nfs/dbraw/zinc/16/09/86/794160986.db2.gz VYJGDMAYKJGHJR-MCIONIFRSA-N 1 0 339.396 -1.365 20 0 EAADRO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219705137 794161202 /nfs/dbraw/zinc/16/12/02/794161202.db2.gz VYJGDMAYKJGHJR-MJBXVCDLSA-N 1 0 339.396 -1.365 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@@H](O)C1 ZINC001219708791 794161101 /nfs/dbraw/zinc/16/11/01/794161101.db2.gz ACLPEQONMXRHKC-JLLWLGSASA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@@H](O)C1 ZINC001219708792 794160589 /nfs/dbraw/zinc/16/05/89/794160589.db2.gz ACLPEQONMXRHKC-WCQGTBRESA-N 1 0 335.364 -1.260 20 0 EAADRO Cc1ccn2c(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cnc2c1 ZINC001219709527 794160806 /nfs/dbraw/zinc/16/08/06/794160806.db2.gz KQVGIDZISZKESQ-JQWIXIFHSA-N 1 0 346.391 -1.034 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H](O)C1 ZINC001219711423 794160913 /nfs/dbraw/zinc/16/09/13/794160913.db2.gz ZIZHYRQCTHCQIA-RTXFEEFZSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H](O)C1 ZINC001219711424 794161007 /nfs/dbraw/zinc/16/10/07/794161007.db2.gz ZIZHYRQCTHCQIA-UHTWSYAYSA-N 1 0 335.364 -1.260 20 0 EAADRO COc1cc(CCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)on1 ZINC001219713689 794160772 /nfs/dbraw/zinc/16/07/72/794160772.db2.gz CQBDCGORWSKJJG-OLZOCXBDSA-N 1 0 343.380 -1.214 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cc(OC)no2)[C@@H](O)C1 ZINC001219713900 794162332 /nfs/dbraw/zinc/16/23/32/794162332.db2.gz MSLOLRKJRAWSKY-RTXFEEFZSA-N 1 0 343.380 -1.216 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cc(OC)no2)[C@@H](O)C1 ZINC001219713901 794161908 /nfs/dbraw/zinc/16/19/08/794161908.db2.gz MSLOLRKJRAWSKY-UHTWSYAYSA-N 1 0 343.380 -1.216 20 0 EAADRO Cc1c(CCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cnn1C ZINC001219714065 794162291 /nfs/dbraw/zinc/16/22/91/794162291.db2.gz QELUFGIXAPQODH-CABCVRRESA-N 1 0 340.424 -1.169 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2C)[C@@H](O)C1 ZINC001219714109 794162583 /nfs/dbraw/zinc/16/25/83/794162583.db2.gz SPNWLIXHBPKPJJ-KFWWJZLASA-N 1 0 340.424 -1.170 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2C)[C@@H](O)C1 ZINC001219714110 794162250 /nfs/dbraw/zinc/16/22/50/794162250.db2.gz SPNWLIXHBPKPJJ-ZNMIVQPWSA-N 1 0 340.424 -1.170 20 0 EAADRO CS(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCCNC(N)=O)nc1 ZINC001219716143 794162213 /nfs/dbraw/zinc/16/22/13/794162213.db2.gz BVDZXCNFMOEPCZ-LLVKDONJSA-N 1 0 343.409 -1.123 20 0 EAADRO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)nc1 ZINC001219716684 794162158 /nfs/dbraw/zinc/16/21/58/794162158.db2.gz YGLNUGOEOXLSKX-GFCCVEGCSA-N 1 0 340.405 -1.568 20 0 EAADRO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)nc1 ZINC001219716685 794162187 /nfs/dbraw/zinc/16/21/87/794162187.db2.gz YGLNUGOEOXLSKX-LBPRGKRZSA-N 1 0 340.405 -1.568 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1c(N)nc(=O)c2ccccc21 ZINC001219718086 794162148 /nfs/dbraw/zinc/16/21/48/794162148.db2.gz FPKATNXNKLQCGC-CBAPKCEASA-N 1 0 346.347 -1.431 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219724179 794161996 /nfs/dbraw/zinc/16/19/96/794161996.db2.gz ALZLKRGWXLPKIM-MCIONIFRSA-N 1 0 326.397 -1.479 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219724180 794162092 /nfs/dbraw/zinc/16/20/92/794162092.db2.gz ALZLKRGWXLPKIM-MJBXVCDLSA-N 1 0 326.397 -1.479 20 0 EAADRO Cn1ccc(CCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219724385 794163982 /nfs/dbraw/zinc/16/39/82/794163982.db2.gz JLRYGYTYBSMRPU-KGLIPLIRSA-N 1 0 326.397 -1.477 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219724433 794163408 /nfs/dbraw/zinc/16/34/08/794163408.db2.gz LCISIRKYENYCBC-MCIONIFRSA-N 1 0 335.420 -1.164 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219724434 794162753 /nfs/dbraw/zinc/16/27/53/794162753.db2.gz LCISIRKYENYCBC-MJBXVCDLSA-N 1 0 335.420 -1.164 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219724582 794163202 /nfs/dbraw/zinc/16/32/02/794163202.db2.gz SIRUBRYYELYRFE-AXFHLTTASA-N 1 0 347.391 -1.978 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219724583 794163336 /nfs/dbraw/zinc/16/33/36/794163336.db2.gz SIRUBRYYELYRFE-MXWKQRLJSA-N 1 0 347.391 -1.978 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219727573 794164372 /nfs/dbraw/zinc/16/43/72/794164372.db2.gz LGZKJLWSCPUKIR-MCIONIFRSA-N 1 0 326.397 -1.479 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219727574 794163568 /nfs/dbraw/zinc/16/35/68/794163568.db2.gz LGZKJLWSCPUKIR-MJBXVCDLSA-N 1 0 326.397 -1.479 20 0 EAADRO Cn1nccc1CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219727626 794163303 /nfs/dbraw/zinc/16/33/03/794163303.db2.gz NSIHZXCBNKFWTR-KGLIPLIRSA-N 1 0 326.397 -1.477 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@@H](O)C1 ZINC001219729930 794164134 /nfs/dbraw/zinc/16/41/34/794164134.db2.gz OSWYZMIVGINGPZ-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@@H](O)C1 ZINC001219729931 794163318 /nfs/dbraw/zinc/16/33/18/794163318.db2.gz OSWYZMIVGINGPZ-MJBXVCDLSA-N 1 0 343.424 -1.321 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 ZINC001219730077 794163345 /nfs/dbraw/zinc/16/33/45/794163345.db2.gz VAGIXKFMTQIJMN-UPJWGTAASA-N 1 0 331.413 -1.731 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 ZINC001219730078 794164420 /nfs/dbraw/zinc/16/44/20/794164420.db2.gz VAGIXKFMTQIJMN-XQQFMLRXSA-N 1 0 331.413 -1.731 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@@H](O)C1 ZINC001219730079 794163649 /nfs/dbraw/zinc/16/36/49/794163649.db2.gz VAMBJQNOULSBKZ-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@@H](O)C1 ZINC001219730080 794163839 /nfs/dbraw/zinc/16/38/39/794163839.db2.gz VAMBJQNOULSBKZ-MJBXVCDLSA-N 1 0 343.424 -1.321 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001219731655 794165220 /nfs/dbraw/zinc/16/52/20/794165220.db2.gz GCJSKARNBDTJAW-UPJWGTAASA-N 1 0 332.420 -1.084 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001219731656 794165526 /nfs/dbraw/zinc/16/55/26/794165526.db2.gz 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329.397 -1.663 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001219745844 794174781 /nfs/dbraw/zinc/17/47/81/794174781.db2.gz BKIWALFQFHMPOL-NEPJUHHUSA-N 1 0 340.380 -2.255 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001219745972 794174665 /nfs/dbraw/zinc/17/46/65/794174665.db2.gz GHMLGBCRJPBAQD-NEPJUHHUSA-N 1 0 340.380 -2.255 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219746317 794174041 /nfs/dbraw/zinc/17/40/41/794174041.db2.gz NQHKRFLLQUOIGF-UTUOFQBUSA-N 1 0 341.412 -1.783 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219746318 794175284 /nfs/dbraw/zinc/17/52/84/794175284.db2.gz NQHKRFLLQUOIGF-WOPDTQHZSA-N 1 0 341.412 -1.783 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219746380 794174915 /nfs/dbraw/zinc/17/49/15/794174915.db2.gz RCOVSNCIPKXVNO-TUAOUCFPSA-N 1 0 327.381 -1.278 20 0 EAADRO 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ZINC001219818408 794189773 /nfs/dbraw/zinc/18/97/73/794189773.db2.gz ROXATWCIHLHIAY-TUAOUCFPSA-N 1 0 340.380 -1.828 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818442 794189645 /nfs/dbraw/zinc/18/96/45/794189645.db2.gz UHISYHFMMFOXGK-AXFHLTTASA-N 1 0 328.369 -1.828 20 0 EAADRO COCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818456 794189703 /nfs/dbraw/zinc/18/97/03/794189703.db2.gz UYEUAMPRZRTSAK-TUAOUCFPSA-N 1 0 342.396 -1.438 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818518 794188942 /nfs/dbraw/zinc/18/89/42/794188942.db2.gz YBDPJEKPDXPUTQ-QEYWKRMJSA-N 1 0 330.341 -3.247 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818521 794189476 /nfs/dbraw/zinc/18/94/76/794189476.db2.gz YBDPJEKPDXPUTQ-RGOKHQFPSA-N 1 0 330.341 -3.247 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818522 794188987 /nfs/dbraw/zinc/18/89/87/794188987.db2.gz YBEUJQMQGFUGDH-AXFHLTTASA-N 1 0 328.369 -1.829 20 0 EAADRO CC(C)OCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818532 794189509 /nfs/dbraw/zinc/18/95/09/794189509.db2.gz YLCBKNMJBRHTHW-TUAOUCFPSA-N 1 0 342.396 -1.439 20 0 EAADRO CCCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219820115 794189711 /nfs/dbraw/zinc/18/97/11/794189711.db2.gz PBKPMVQIZFLTCO-TUAOUCFPSA-N 1 0 342.396 -1.438 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822571 794189663 /nfs/dbraw/zinc/18/96/63/794189663.db2.gz PURYYDXOEFDLAT-JLLWLGSASA-N 1 0 326.353 -2.438 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822572 794189304 /nfs/dbraw/zinc/18/93/04/794189304.db2.gz PURYYDXOEFDLAT-WCQGTBRESA-N 1 0 326.353 -2.438 20 0 EAADRO CCc1c[nH]c(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219824490 794189719 /nfs/dbraw/zinc/18/97/19/794189719.db2.gz BXTRQZBADOQTMM-OLZOCXBDSA-N 1 0 326.397 -1.315 20 0 EAADRO CCc1c[nH]c(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)n1 ZINC001219824854 794189245 /nfs/dbraw/zinc/18/92/45/794189245.db2.gz UTPKRDABZOYVIU-UPJWGTAASA-N 1 0 326.397 -1.317 20 0 EAADRO CCc1c[nH]c(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)n1 ZINC001219824855 794189336 /nfs/dbraw/zinc/18/93/36/794189336.db2.gz UTPKRDABZOYVIU-XQQFMLRXSA-N 1 0 326.397 -1.317 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncc3ncn(C)c32)[C@@H](O)C1 ZINC001219826423 794191326 /nfs/dbraw/zinc/19/13/26/794191326.db2.gz VRPVJOLNKLAFEO-GDLCADMTSA-N 1 0 349.391 -1.250 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncc3ncn(C)c32)[C@@H](O)C1 ZINC001219826426 794191062 /nfs/dbraw/zinc/19/10/62/794191062.db2.gz VRPVJOLNKLAFEO-HONMWMINSA-N 1 0 349.391 -1.250 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001219827392 794191204 /nfs/dbraw/zinc/19/12/04/794191204.db2.gz CGTGCQCLOBTBJW-LOWVWBTDSA-N 1 0 340.380 -1.805 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001219827393 794190917 /nfs/dbraw/zinc/19/09/17/794190917.db2.gz CGTGCQCLOBTBJW-WZRBSPASSA-N 1 0 340.380 -1.805 20 0 EAADRO Cn1nnnc1CN1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829663 794191175 /nfs/dbraw/zinc/19/11/75/794191175.db2.gz AQPDNINAPNWRRS-UPJWGTAASA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnnc1CN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829664 794191218 /nfs/dbraw/zinc/19/12/18/794191218.db2.gz AQPDNINAPNWRRS-XQQFMLRXSA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219830101 794190767 /nfs/dbraw/zinc/19/07/67/794190767.db2.gz NQPXAEGLRGEOJS-UPJWGTAASA-N 1 0 337.428 -1.254 20 0 EAADRO Cn1nnc(CN2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219830102 794191434 /nfs/dbraw/zinc/19/14/34/794191434.db2.gz NQPXAEGLRGEOJS-XQQFMLRXSA-N 1 0 337.428 -1.254 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219830237 794191080 /nfs/dbraw/zinc/19/10/80/794191080.db2.gz SNKIHQQXCPLAFK-TUAOUCFPSA-N 1 0 341.412 -1.783 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219830238 794191475 /nfs/dbraw/zinc/19/14/75/794191475.db2.gz SNKIHQQXCPLAFK-UTUOFQBUSA-N 1 0 341.412 -1.783 20 0 EAADRO Nc1nc2c(ncn2CC(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)c(=O)[nH]1 ZINC001219831609 794190821 /nfs/dbraw/zinc/19/08/21/794190821.db2.gz QPEGKHXBUALEOK-HLTSFMKQSA-N 1 0 333.352 -1.393 20 0 EAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833618 794192098 /nfs/dbraw/zinc/19/20/98/794192098.db2.gz FPIVJLAUTLUPNH-GBIKHYSHSA-N 1 0 325.373 -2.419 20 0 EAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833619 794192484 /nfs/dbraw/zinc/19/24/84/794192484.db2.gz FPIVJLAUTLUPNH-KWBADKCTSA-N 1 0 325.373 -2.419 20 0 EAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833620 794192223 /nfs/dbraw/zinc/19/22/23/794192223.db2.gz FPIVJLAUTLUPNH-NRUUGDAUSA-N 1 0 325.373 -2.419 20 0 EAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833621 794192549 /nfs/dbraw/zinc/19/25/49/794192549.db2.gz FPIVJLAUTLUPNH-OUJBWJOFSA-N 1 0 325.373 -2.419 20 0 EAADRO O=C(CN1CCNCC1=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834045 794192386 /nfs/dbraw/zinc/19/23/86/794192386.db2.gz NTAOSEDSTSTTDD-DOMZBBRYSA-N 1 0 326.397 -2.071 20 0 EAADRO O=C(CN1CCNCC1=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834046 794192198 /nfs/dbraw/zinc/19/21/98/794192198.db2.gz NTAOSEDSTSTTDD-IUODEOHRSA-N 1 0 326.397 -2.071 20 0 EAADRO O=C(CN1CCNCC1=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834047 794192065 /nfs/dbraw/zinc/19/20/65/794192065.db2.gz NTAOSEDSTSTTDD-SWLSCSKDSA-N 1 0 326.397 -2.071 20 0 EAADRO O=C(CN1CCNCC1=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834048 794192202 /nfs/dbraw/zinc/19/22/02/794192202.db2.gz NTAOSEDSTSTTDD-WFASDCNBSA-N 1 0 326.397 -2.071 20 0 EAADRO COC(=O)[C@@H](N)CCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834963 794192424 /nfs/dbraw/zinc/19/24/24/794192424.db2.gz VWMWWLCYEZWAKG-HUBLWGQQSA-N 1 0 329.397 -1.222 20 0 EAADRO COC(=O)[C@@H](N)CCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834964 794192138 /nfs/dbraw/zinc/19/21/38/794192138.db2.gz VWMWWLCYEZWAKG-SLEUVZQESA-N 1 0 329.397 -1.222 20 0 EAADRO COC(=O)[C@@H](N)CCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834965 794191795 /nfs/dbraw/zinc/19/17/95/794191795.db2.gz VWMWWLCYEZWAKG-TYNCELHUSA-N 1 0 329.397 -1.222 20 0 EAADRO COC(=O)[C@@H](N)CCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835066 794192531 /nfs/dbraw/zinc/19/25/31/794192531.db2.gz VWMWWLCYEZWAKG-XUJVJEKNSA-N 1 0 329.397 -1.222 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)cc1=O ZINC001219836404 794192049 /nfs/dbraw/zinc/19/20/49/794192049.db2.gz SVGPAHPAGTVRPN-NEPJUHHUSA-N 1 0 336.392 -1.442 20 0 EAADRO Nc1cccn(CC(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1=O ZINC001219839071 794193400 /nfs/dbraw/zinc/19/34/00/794193400.db2.gz XLHXSGUEVBOYGB-BLLLJJGKSA-N 1 0 336.392 -1.058 20 0 EAADRO Nc1cccn(CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1=O ZINC001219839074 794193256 /nfs/dbraw/zinc/19/32/56/794193256.db2.gz XLHXSGUEVBOYGB-LRDDRELGSA-N 1 0 336.392 -1.058 20 0 EAADRO Nc1cccn(CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1=O ZINC001219839075 794193344 /nfs/dbraw/zinc/19/33/44/794193344.db2.gz XLHXSGUEVBOYGB-MLGOLLRUSA-N 1 0 336.392 -1.058 20 0 EAADRO Nc1cccn(CC(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1=O ZINC001219839076 794193479 /nfs/dbraw/zinc/19/34/79/794193479.db2.gz XLHXSGUEVBOYGB-WBMJQRKESA-N 1 0 336.392 -1.058 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COc2cc(C)on2)[C@@H](O)C1 ZINC001219839440 794193464 /nfs/dbraw/zinc/19/34/64/794193464.db2.gz NPRCNRCXESFOAY-TUAOUCFPSA-N 1 0 329.353 -1.470 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COc2cc(C)on2)[C@@H](O)C1 ZINC001219839445 794193209 /nfs/dbraw/zinc/19/32/09/794193209.db2.gz NPRCNRCXESFOAY-UTUOFQBUSA-N 1 0 329.353 -1.470 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219841536 794194398 /nfs/dbraw/zinc/19/43/98/794194398.db2.gz PHLGKIPXGZILEC-TUAOUCFPSA-N 1 0 339.396 -2.083 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219841537 794194567 /nfs/dbraw/zinc/19/45/67/794194567.db2.gz PHLGKIPXGZILEC-UTUOFQBUSA-N 1 0 339.396 -2.083 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219841682 794195008 /nfs/dbraw/zinc/19/50/08/794195008.db2.gz VRGWWAORHSBPMF-UPJWGTAASA-N 1 0 345.440 -1.307 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219841683 794194407 /nfs/dbraw/zinc/19/44/07/794194407.db2.gz VRGWWAORHSBPMF-XQQFMLRXSA-N 1 0 345.440 -1.307 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219841800 794194064 /nfs/dbraw/zinc/19/40/64/794194064.db2.gz ZOVBGJRNOIHXNO-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O)[NH+](C)C ZINC001219842195 794194549 /nfs/dbraw/zinc/19/45/49/794194549.db2.gz KJNKPQOYPNFMHW-MDZLAQPJSA-N 1 0 325.417 -1.542 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O)[NH+](C)C ZINC001219842201 794195048 /nfs/dbraw/zinc/19/50/48/794195048.db2.gz KSQYROBRHKMMFB-MDZLAQPJSA-N 1 0 340.428 -1.644 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001219842386 794194983 /nfs/dbraw/zinc/19/49/83/794194983.db2.gz OFNKXNTURSYBOY-MDZLAQPJSA-N 1 0 325.417 -1.542 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001219842514 794193971 /nfs/dbraw/zinc/19/39/71/794193971.db2.gz PZEVICUJZBHJFY-IPYPFGDCSA-N 1 0 326.441 -1.034 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845322 794195021 /nfs/dbraw/zinc/19/50/21/794195021.db2.gz GEOCJJKOXWIGSN-MDZLAQPJSA-N 1 0 343.428 -1.811 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001219845374 794194204 /nfs/dbraw/zinc/19/42/04/794194204.db2.gz INHSXWOPCVJMRB-SCVCMEIPSA-N 1 0 329.401 -2.071 20 0 EAADRO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219845807 794194283 /nfs/dbraw/zinc/19/42/83/794194283.db2.gz UFVSCQGAAFQRMF-NEPJUHHUSA-N 1 0 326.353 -1.380 20 0 EAADRO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1nnn2c1CNCC2 ZINC001219845866 794194816 /nfs/dbraw/zinc/19/48/16/794194816.db2.gz ZMXVQRTXGCTBJS-ABAIWWIYSA-N 1 0 336.396 -1.494 20 0 EAADRO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1nnn2c1CNCC2 ZINC001219845867 794196023 /nfs/dbraw/zinc/19/60/23/794196023.db2.gz ZMXVQRTXGCTBJS-IAQYHMDHSA-N 1 0 336.396 -1.494 20 0 EAADRO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1nnn2c1CNCC2 ZINC001219845868 794196146 /nfs/dbraw/zinc/19/61/46/794196146.db2.gz ZMXVQRTXGCTBJS-NHYWBVRUSA-N 1 0 336.396 -1.494 20 0 EAADRO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1nnn2c1CNCC2 ZINC001219845869 794195781 /nfs/dbraw/zinc/19/57/81/794195781.db2.gz ZMXVQRTXGCTBJS-XHDPSFHLSA-N 1 0 336.396 -1.494 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219846789 794196320 /nfs/dbraw/zinc/19/63/20/794196320.db2.gz DQFUGLGNOODHPI-UPJWGTAASA-N 1 0 343.424 -1.145 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219846790 794195617 /nfs/dbraw/zinc/19/56/17/794195617.db2.gz DQFUGLGNOODHPI-XQQFMLRXSA-N 1 0 343.424 -1.145 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219846800 794196055 /nfs/dbraw/zinc/19/60/55/794196055.db2.gz FBANLBYRBXPMLU-TUAOUCFPSA-N 1 0 340.424 -1.425 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219846801 794196631 /nfs/dbraw/zinc/19/66/31/794196631.db2.gz FBANLBYRBXPMLU-UTUOFQBUSA-N 1 0 340.424 -1.425 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219846810 794195968 /nfs/dbraw/zinc/19/59/68/794195968.db2.gz FKEAYAFNGZPPPT-AXFHLTTASA-N 1 0 336.396 -1.562 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219846811 794196295 /nfs/dbraw/zinc/19/62/95/794196295.db2.gz FKEAYAFNGZPPPT-MXWKQRLJSA-N 1 0 336.396 -1.562 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219846943 794196475 /nfs/dbraw/zinc/19/64/75/794196475.db2.gz KSCFFMWWMMJCLP-NEPJUHHUSA-N 1 0 344.412 -2.188 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219846959 794195652 /nfs/dbraw/zinc/19/56/52/794195652.db2.gz LZRYIEKELNUITD-TUAOUCFPSA-N 1 0 347.412 -2.317 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219846960 794196407 /nfs/dbraw/zinc/19/64/07/794196407.db2.gz LZRYIEKELNUITD-UTUOFQBUSA-N 1 0 347.412 -2.317 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219847064 794195835 /nfs/dbraw/zinc/19/58/35/794195835.db2.gz QLCOHKHGDNYUDO-RDBSUJKOSA-N 1 0 341.456 -1.241 20 0 EAADRO Nc1nc2c(ncn2CC(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c(=O)[nH]1 ZINC001219847216 794195857 /nfs/dbraw/zinc/19/58/57/794195857.db2.gz ACKUXOPXQIZPCS-DKCNOQQISA-N 1 0 333.352 -1.250 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 ZINC001219849336 794196516 /nfs/dbraw/zinc/19/65/16/794196516.db2.gz FBBCWJKZSZXDDJ-JLLWLGSASA-N 1 0 348.350 -1.070 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 ZINC001219849337 794195954 /nfs/dbraw/zinc/19/59/54/794195954.db2.gz FBBCWJKZSZXDDJ-WCQGTBRESA-N 1 0 348.350 -1.070 20 0 EAADRO CCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219849853 794197725 /nfs/dbraw/zinc/19/77/25/794197725.db2.gz UEPBLRJQBFTTKO-GDLCADMTSA-N 1 0 326.397 -1.235 20 0 EAADRO CCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219849854 794197852 /nfs/dbraw/zinc/19/78/52/794197852.db2.gz UEPBLRJQBFTTKO-HONMWMINSA-N 1 0 326.397 -1.235 20 0 EAADRO CN1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1=O ZINC001219851127 794197419 /nfs/dbraw/zinc/19/74/19/794197419.db2.gz BPOAVFCVFKUDCK-UPJWGTAASA-N 1 0 329.397 -1.975 20 0 EAADRO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1=O ZINC001219851128 794197868 /nfs/dbraw/zinc/19/78/68/794197868.db2.gz BPOAVFCVFKUDCK-XQQFMLRXSA-N 1 0 329.397 -1.975 20 0 EAADRO COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851360 794197923 /nfs/dbraw/zinc/19/79/23/794197923.db2.gz MWAKCMNTNPKRRH-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219851361 794198285 /nfs/dbraw/zinc/19/82/85/794198285.db2.gz MWAKCMNTNPKRRH-MJBXVCDLSA-N 1 0 343.424 -1.321 20 0 EAADRO COC1CC(C(=O)N[C@@H]2C[N@H+](CCOCCNC(C)=O)C[C@@H]2O)C1 ZINC001219851605 794197308 /nfs/dbraw/zinc/19/73/08/794197308.db2.gz XESFTQNKTSSHJI-CVSAEHQPSA-N 1 0 343.424 -1.275 20 0 EAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852496 794198144 /nfs/dbraw/zinc/19/81/44/794198144.db2.gz SZPHAUKRUNAGCY-LEOWZXHUSA-N 1 0 325.409 -1.141 20 0 EAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852499 794197553 /nfs/dbraw/zinc/19/75/53/794197553.db2.gz SZPHAUKRUNAGCY-YJIVIRPOSA-N 1 0 325.409 -1.141 20 0 EAADRO Nc1nc2c(ncn2CC(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c(=O)[nH]1 ZINC001219852687 794197461 /nfs/dbraw/zinc/19/74/61/794197461.db2.gz XGANLWZTSYBYLW-LPEHRKFASA-N 1 0 347.379 -1.145 20 0 EAADRO COCCn1nccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219855104 794198230 /nfs/dbraw/zinc/19/82/30/794198230.db2.gz MBACKRXTQPFKQV-BZPMIXESSA-N 1 0 342.396 -1.688 20 0 EAADRO COCCn1nccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219855105 794197500 /nfs/dbraw/zinc/19/75/00/794197500.db2.gz MBACKRXTQPFKQV-SCRDCRAPSA-N 1 0 342.396 -1.688 20 0 EAADRO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219855208 794198703 /nfs/dbraw/zinc/19/87/03/794198703.db2.gz QMQHCQZCDBQRMQ-NEPJUHHUSA-N 1 0 326.353 -1.380 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219856969 794199279 /nfs/dbraw/zinc/19/92/79/794199279.db2.gz OZLVWSMHXOZWCW-UPJWGTAASA-N 1 0 342.396 -1.895 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219856970 794199527 /nfs/dbraw/zinc/19/95/27/794199527.db2.gz OZLVWSMHXOZWCW-XQQFMLRXSA-N 1 0 342.396 -1.895 20 0 EAADRO CCOc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)[nH]n1 ZINC001219858505 794199341 /nfs/dbraw/zinc/19/93/41/794199341.db2.gz RHMHQYXZEODSTN-JLLWLGSASA-N 1 0 328.369 -1.409 20 0 EAADRO CCOc1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)[nH]n1 ZINC001219858507 794199185 /nfs/dbraw/zinc/19/91/85/794199185.db2.gz RHMHQYXZEODSTN-WCQGTBRESA-N 1 0 328.369 -1.409 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@@H](O)C1 ZINC001219858683 794199616 /nfs/dbraw/zinc/19/96/16/794199616.db2.gz YOZPSQXIJLKVBM-UPJWGTAASA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@@H](O)C1 ZINC001219858684 794198858 /nfs/dbraw/zinc/19/88/58/794198858.db2.gz YOZPSQXIJLKVBM-XQQFMLRXSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001219860222 794199311 /nfs/dbraw/zinc/19/93/11/794199311.db2.gz BCTZAGLHYZGMQG-TUAOUCFPSA-N 1 0 340.380 -1.831 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001219860223 794198715 /nfs/dbraw/zinc/19/87/15/794198715.db2.gz BCTZAGLHYZGMQG-UTUOFQBUSA-N 1 0 340.380 -1.831 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H](O)C1 ZINC001219860242 794201401 /nfs/dbraw/zinc/20/14/01/794201401.db2.gz COTDEMQSVYFXCA-BIMULSAOSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H](O)C1 ZINC001219860243 794200162 /nfs/dbraw/zinc/20/01/62/794200162.db2.gz COTDEMQSVYFXCA-WQAKAFBOSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)[C@@H](O)C1 ZINC001219862928 794200783 /nfs/dbraw/zinc/20/07/83/794200783.db2.gz VHDLQNZQWLRTFM-MCIONIFRSA-N 1 0 343.380 -1.332 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)[C@@H](O)C1 ZINC001219862929 794200828 /nfs/dbraw/zinc/20/08/28/794200828.db2.gz VHDLQNZQWLRTFM-MJBXVCDLSA-N 1 0 343.380 -1.332 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864263 794200988 /nfs/dbraw/zinc/20/09/88/794200988.db2.gz LUXJRWTXGVSFHJ-MCIONIFRSA-N 1 0 342.396 -1.895 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864264 794200517 /nfs/dbraw/zinc/20/05/17/794200517.db2.gz LUXJRWTXGVSFHJ-MJBXVCDLSA-N 1 0 342.396 -1.895 20 0 EAADRO O=C(NC[C@@H](O)CO)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219865269 794200609 /nfs/dbraw/zinc/20/06/09/794200609.db2.gz JJDBHHVCDBTPCH-ILXRZTDVSA-N 1 0 335.404 -1.065 20 0 EAADRO [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@@H](O)CO ZINC001219865357 794201197 /nfs/dbraw/zinc/20/11/97/794201197.db2.gz MQJITPAQJLDNOU-CHWSQXEVSA-N 1 0 341.433 -1.167 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865661 794201169 /nfs/dbraw/zinc/20/11/69/794201169.db2.gz SNWYMSPHXGLOMD-NVPWMLRNSA-N 1 0 334.376 -1.532 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865755 794201218 /nfs/dbraw/zinc/20/12/18/794201218.db2.gz VMCHSLVZAYEYOX-GXTWGEPZSA-N 1 0 327.406 -1.019 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)[C@@H](O)C1 ZINC001219865820 794200442 /nfs/dbraw/zinc/20/04/42/794200442.db2.gz LDXALNANIDZYDA-MCIONIFRSA-N 1 0 339.392 -1.199 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)[C@@H](O)C1 ZINC001219865821 794201382 /nfs/dbraw/zinc/20/13/82/794201382.db2.gz LDXALNANIDZYDA-MJBXVCDLSA-N 1 0 339.392 -1.199 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CO ZINC001219866005 794200371 /nfs/dbraw/zinc/20/03/71/794200371.db2.gz YRHZMORGRNLOKL-WOPDTQHZSA-N 1 0 331.413 -1.411 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)[C@@H](O)C1 ZINC001219866182 794200572 /nfs/dbraw/zinc/20/05/72/794200572.db2.gz WMEOPUSKFDYMBO-BNOWGMLFSA-N 1 0 343.380 -1.332 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)[C@@H](O)C1 ZINC001219866183 794201295 /nfs/dbraw/zinc/20/12/95/794201295.db2.gz WMEOPUSKFDYMBO-YUTCNCBUSA-N 1 0 343.380 -1.332 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869290 794202610 /nfs/dbraw/zinc/20/26/10/794202610.db2.gz JDGBFJGOMMJBDO-UPJWGTAASA-N 1 0 340.424 -1.363 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001219869921 794201812 /nfs/dbraw/zinc/20/18/12/794201812.db2.gz VKNBGRREFLXCME-UPJWGTAASA-N 1 0 335.470 -1.077 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869930 794201941 /nfs/dbraw/zinc/20/19/41/794201941.db2.gz VRZRHBUZLWXNGI-UTUOFQBUSA-N 1 0 341.412 -1.960 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001219870042 794202386 /nfs/dbraw/zinc/20/23/86/794202386.db2.gz YIIURGYZULDCEU-UTUOFQBUSA-N 1 0 336.458 -1.963 20 0 EAADRO C[C@H](C(N)=O)N1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219873638 794202484 /nfs/dbraw/zinc/20/24/84/794202484.db2.gz HBPJPTMRWVBONG-UPJWGTAASA-N 1 0 342.440 -1.620 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219873639 794202097 /nfs/dbraw/zinc/20/20/97/794202097.db2.gz HBPJPTMRWVBONG-XQQFMLRXSA-N 1 0 342.440 -1.620 20 0 EAADRO CCOCCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874712 794202184 /nfs/dbraw/zinc/20/21/84/794202184.db2.gz DLDOHVUDNCUWOA-MCIONIFRSA-N 1 0 344.456 -1.359 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@@H]1O)[NH+](C)C ZINC001219874905 794202358 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C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cncnc1 ZINC001220007240 794228828 /nfs/dbraw/zinc/22/88/28/794228828.db2.gz KVXLUZHTWIDHEN-JQWIXIFHSA-N 1 0 334.380 -1.453 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cncnc1 ZINC001220007375 794229296 /nfs/dbraw/zinc/22/92/96/794229296.db2.gz NJFDWGRUYAPRPI-UHFFFAOYSA-N 1 0 337.340 -3.600 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220007462 794228785 /nfs/dbraw/zinc/22/87/85/794228785.db2.gz WLPTYDSVCDYPDF-MCIONIFRSA-N 1 0 348.440 -1.156 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220007463 794228174 /nfs/dbraw/zinc/22/81/74/794228174.db2.gz WLPTYDSVCDYPDF-MJBXVCDLSA-N 1 0 348.440 -1.156 20 0 EAADRO CN1C[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CCC1=O ZINC001220007574 794228234 /nfs/dbraw/zinc/22/82/34/794228234.db2.gz PSKDWBRXYHITDQ-MNOVXSKESA-N 1 0 328.413 -1.018 20 0 EAADRO CN1C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CCC1=O ZINC001220007575 794228977 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794261472 /nfs/dbraw/zinc/26/14/72/794261472.db2.gz MNEQFAMHZWLBCM-MCIONIFRSA-N 1 0 339.392 -1.112 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220216502 794260990 /nfs/dbraw/zinc/26/09/90/794260990.db2.gz MNEQFAMHZWLBCM-MJBXVCDLSA-N 1 0 339.392 -1.112 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](CO)C(C)(C)C ZINC001220217089 794261709 /nfs/dbraw/zinc/26/17/09/794261709.db2.gz LCLGKEABMSCTGV-SRVKXCTJSA-N 1 0 342.440 -1.036 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001220219926 794261218 /nfs/dbraw/zinc/26/12/18/794261218.db2.gz HVMVKARTKSESDM-GDLCADMTSA-N 1 0 327.356 -1.068 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001220219927 794261309 /nfs/dbraw/zinc/26/13/09/794261309.db2.gz HVMVKARTKSESDM-HONMWMINSA-N 1 0 327.356 -1.068 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001220219930 794261356 /nfs/dbraw/zinc/26/13/56/794261356.db2.gz IDVCRGCCOOHZRR-YFKTTZPYSA-N 1 0 341.412 -1.927 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)[C@@H](O)C1 ZINC001220220595 794261799 /nfs/dbraw/zinc/26/17/99/794261799.db2.gz XBUXVBYJAXQTAL-BNOWGMLFSA-N 1 0 339.392 -1.199 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)[C@@H](O)C1 ZINC001220220596 794261529 /nfs/dbraw/zinc/26/15/29/794261529.db2.gz XBUXVBYJAXQTAL-YUTCNCBUSA-N 1 0 339.392 -1.199 20 0 EAADRO Cn1cc(OCC(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)cn1 ZINC001220226922 794263728 /nfs/dbraw/zinc/26/37/28/794263728.db2.gz DUBVYYUCESCLOM-CABCVRRESA-N 1 0 348.407 -1.064 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227028 794263549 /nfs/dbraw/zinc/26/35/49/794263549.db2.gz FWEDNQCTZIHWII-AXFHLTTASA-N 1 0 341.412 -1.927 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227029 794263409 /nfs/dbraw/zinc/26/34/09/794263409.db2.gz FWEDNQCTZIHWII-MXWKQRLJSA-N 1 0 341.412 -1.927 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220227066 794263863 /nfs/dbraw/zinc/26/38/63/794263863.db2.gz GONQTLJITDYHMS-OLZOCXBDSA-N 1 0 347.481 -1.076 20 0 EAADRO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)COc3cnn(C)c3)[C@@H](O)C2)cn1 ZINC001220227274 794263955 /nfs/dbraw/zinc/26/39/55/794263955.db2.gz MERYLRISLRGOFS-CABCVRRESA-N 1 0 348.407 -1.064 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220227591 794263413 /nfs/dbraw/zinc/26/34/13/794263413.db2.gz WBFWIOIPNVYUNS-RTXFEEFZSA-N 1 0 328.369 -2.033 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220227592 794264100 /nfs/dbraw/zinc/26/41/00/794264100.db2.gz WBFWIOIPNVYUNS-UHTWSYAYSA-N 1 0 328.369 -2.033 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229071 794263385 /nfs/dbraw/zinc/26/33/85/794263385.db2.gz LIHOSHGCMMFNMN-MNOVXSKESA-N 1 0 341.412 -2.055 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001220229110 794263390 /nfs/dbraw/zinc/26/33/90/794263390.db2.gz NNMQMZZKIUBJSD-ZJUUUORDSA-N 1 0 327.385 -2.316 20 0 EAADRO Cn1[nH]c(CN2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)nc1=O ZINC001220229165 794262813 /nfs/dbraw/zinc/26/28/13/794262813.db2.gz QEOBZXPBYAMLIG-MNOVXSKESA-N 1 0 338.412 -1.889 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229260 794263821 /nfs/dbraw/zinc/26/38/21/794263821.db2.gz VBPQFHGCQIRJDO-OLZOCXBDSA-N 1 0 326.441 -1.032 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220229282 794263363 /nfs/dbraw/zinc/26/33/63/794263363.db2.gz VWYBYCSWHSKRRO-NEPJUHHUSA-N 1 0 333.454 -1.466 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220230661 794265564 /nfs/dbraw/zinc/26/55/64/794265564.db2.gz MMBVNNAYZXLGCI-NEPJUHHUSA-N 1 0 348.469 -1.961 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001220230693 794264617 /nfs/dbraw/zinc/26/46/17/794264617.db2.gz OQENPBVTJRZASQ-UTUOFQBUSA-N 1 0 338.408 -1.705 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001220230694 794265345 /nfs/dbraw/zinc/26/53/45/794265345.db2.gz OQENPBVTJRZASQ-WOPDTQHZSA-N 1 0 338.408 -1.705 20 0 EAADRO C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230883 794264883 /nfs/dbraw/zinc/26/48/83/794264883.db2.gz SDFFZTQUTIJUGU-TUAOUCFPSA-N 1 0 337.428 -1.226 20 0 EAADRO C[C@H](c1nnnn1C)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230884 794264835 /nfs/dbraw/zinc/26/48/35/794264835.db2.gz SDFFZTQUTIJUGU-UTUOFQBUSA-N 1 0 337.428 -1.226 20 0 EAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001220230889 794264927 /nfs/dbraw/zinc/26/49/27/794264927.db2.gz SGOSKNPBQPCVGO-OLZOCXBDSA-N 1 0 339.440 -1.485 20 0 EAADRO C[C@H](C(=O)N(C)C)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231069 794264581 /nfs/dbraw/zinc/26/45/81/794264581.db2.gz YUYJOGVFQQMOIP-UPJWGTAASA-N 1 0 326.441 -1.034 20 0 EAADRO C[C@@H](C(=O)N(C)C)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231070 794265433 /nfs/dbraw/zinc/26/54/33/794265433.db2.gz YUYJOGVFQQMOIP-XQQFMLRXSA-N 1 0 326.441 -1.034 20 0 EAADRO CCOC(CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])OCC ZINC001220231096 794264687 /nfs/dbraw/zinc/26/46/87/794264687.db2.gz UYXDGCRWZQVBNF-UWVGGRQHSA-N 1 0 332.401 -1.401 20 0 EAADRO COCCCNC(=O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232051 794264680 /nfs/dbraw/zinc/26/46/80/794264680.db2.gz AYBTTZURJJXITO-KGLIPLIRSA-N 1 0 344.456 -1.358 20 0 EAADRO CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232062 794264844 /nfs/dbraw/zinc/26/48/44/794264844.db2.gz BNWGVTCVJQHKJT-NEPJUHHUSA-N 1 0 343.428 -1.665 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232103 794265444 /nfs/dbraw/zinc/26/54/44/794265444.db2.gz DJXOFCDNBRQOAO-MNOVXSKESA-N 1 0 329.401 -2.055 20 0 EAADRO CCOCCNC(=O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232138 794264977 /nfs/dbraw/zinc/26/49/77/794264977.db2.gz FRMCHQXCXKALAU-KGLIPLIRSA-N 1 0 344.456 -1.358 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220232311 794264605 /nfs/dbraw/zinc/26/46/05/794264605.db2.gz OZBLBLVSGUGHLU-KGLIPLIRSA-N 1 0 342.440 -1.652 20 0 EAADRO Cn1[nH]c(CN2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)nc1=O ZINC001220232318 794265381 /nfs/dbraw/zinc/26/53/81/794265381.db2.gz PKGKNFXIJKOFEE-MNOVXSKESA-N 1 0 326.401 -1.889 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234051 794265292 /nfs/dbraw/zinc/26/52/92/794265292.db2.gz RVOKUSDADCMZDV-AXFHLTTASA-N 1 0 329.401 -1.927 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234052 794265417 /nfs/dbraw/zinc/26/54/17/794265417.db2.gz RVOKUSDADCMZDV-MXWKQRLJSA-N 1 0 329.401 -1.927 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234138 794265581 /nfs/dbraw/zinc/26/55/81/794265581.db2.gz WGPQVKVKRGLJPY-TUAOUCFPSA-N 1 0 343.428 -1.666 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234139 794265149 /nfs/dbraw/zinc/26/51/49/794265149.db2.gz WGPQVKVKRGLJPY-UTUOFQBUSA-N 1 0 343.428 -1.666 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220234199 794265515 /nfs/dbraw/zinc/26/55/15/794265515.db2.gz YMFDHVRGBJRMGV-OLZOCXBDSA-N 1 0 340.424 -1.362 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236667 794265125 /nfs/dbraw/zinc/26/51/25/794265125.db2.gz CXQLEVMBOMSYOH-TUAOUCFPSA-N 1 0 343.384 -3.018 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236668 794265204 /nfs/dbraw/zinc/26/52/04/794265204.db2.gz CXQLEVMBOMSYOH-UTUOFQBUSA-N 1 0 343.384 -3.018 20 0 EAADRO CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236689 794264502 /nfs/dbraw/zinc/26/45/02/794264502.db2.gz DWSYYRUEBGUEEE-UPJWGTAASA-N 1 0 328.413 -1.108 20 0 EAADRO CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236692 794265621 /nfs/dbraw/zinc/26/56/21/794265621.db2.gz DWSYYRUEBGUEEE-XQQFMLRXSA-N 1 0 328.413 -1.108 20 0 EAADRO C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236889 794264919 /nfs/dbraw/zinc/26/49/19/794264919.db2.gz JCWYAEZZVQFOOV-TUAOUCFPSA-N 1 0 325.417 -1.226 20 0 EAADRO C[C@H](c1nnnn1C)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236890 794265547 /nfs/dbraw/zinc/26/55/47/794265547.db2.gz JCWYAEZZVQFOOV-UTUOFQBUSA-N 1 0 325.417 -1.226 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220236902 794265551 /nfs/dbraw/zinc/26/55/51/794265551.db2.gz JPGWEJNSDABNFQ-UTUOFQBUSA-N 1 0 326.397 -1.705 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220236903 794265451 /nfs/dbraw/zinc/26/54/51/794265451.db2.gz JPGWEJNSDABNFQ-WOPDTQHZSA-N 1 0 326.397 -1.705 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220237256 794264852 /nfs/dbraw/zinc/26/48/52/794264852.db2.gz RMNJNHZPDHXYFB-MCIONIFRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220237257 794265501 /nfs/dbraw/zinc/26/55/01/794265501.db2.gz RMNJNHZPDHXYFB-MJBXVCDLSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001220237456 794264460 /nfs/dbraw/zinc/26/44/60/794264460.db2.gz XFWKKNGZLVFULL-OLZOCXBDSA-N 1 0 327.429 -1.485 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O ZINC001220237942 794265528 /nfs/dbraw/zinc/26/55/28/794265528.db2.gz JACZYBKVISZNHZ-OLZOCXBDSA-N 1 0 335.470 -1.076 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1O ZINC001220238024 794265180 /nfs/dbraw/zinc/26/51/80/794265180.db2.gz KMRBTRDRYIGBTJ-NEPJUHHUSA-N 1 0 336.458 -1.961 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220238688 794266703 /nfs/dbraw/zinc/26/67/03/794266703.db2.gz ZYMRJRWZFHIGFX-NEPJUHHUSA-N 1 0 341.412 -1.959 20 0 EAADRO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCS(=O)(=O)[O-] ZINC001220241301 794266360 /nfs/dbraw/zinc/26/63/60/794266360.db2.gz WUDMUWKWQADYOJ-UWVGGRQHSA-N 1 0 336.414 -1.605 20 0 EAADRO CC[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220241481 794265997 /nfs/dbraw/zinc/26/59/97/794265997.db2.gz YRJPBYVUCKBHTQ-GHMZBOCLSA-N 1 0 343.428 -1.765 20 0 EAADRO CC[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220241483 794266066 /nfs/dbraw/zinc/26/60/66/794266066.db2.gz YRJPBYVUCKBHTQ-MNOVXSKESA-N 1 0 343.428 -1.765 20 0 EAADRO CC[C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220241484 794266692 /nfs/dbraw/zinc/26/66/92/794266692.db2.gz YRJPBYVUCKBHTQ-QWRGUYRKSA-N 1 0 343.428 -1.765 20 0 EAADRO CC[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220241485 794266385 /nfs/dbraw/zinc/26/63/85/794266385.db2.gz YRJPBYVUCKBHTQ-WDEREUQCSA-N 1 0 343.428 -1.765 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220242264 794266544 /nfs/dbraw/zinc/26/65/44/794266544.db2.gz SGNDGVVBKSNNNZ-UPJWGTAASA-N 1 0 349.453 -1.357 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220242265 794266635 /nfs/dbraw/zinc/26/66/35/794266635.db2.gz SGNDGVVBKSNNNZ-XQQFMLRXSA-N 1 0 349.453 -1.357 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242344 794266344 /nfs/dbraw/zinc/26/63/44/794266344.db2.gz WEEHFMQTXLUVNG-AXFHLTTASA-N 1 0 339.414 -2.776 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242345 794266438 /nfs/dbraw/zinc/26/64/38/794266438.db2.gz WEEHFMQTXLUVNG-MXWKQRLJSA-N 1 0 339.414 -2.776 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCc1cnccn1 ZINC001220242615 794266276 /nfs/dbraw/zinc/26/62/76/794266276.db2.gz GCKRRNOTYAQWOC-AAEUAGOBSA-N 1 0 348.407 -1.410 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cc1=O ZINC001220243913 794268322 /nfs/dbraw/zinc/26/83/22/794268322.db2.gz VAGRUXQHAWTTMW-NEPJUHHUSA-N 1 0 334.376 -1.688 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2CC(=O)N(C)C2)COC1(C)C ZINC001220244947 794268200 /nfs/dbraw/zinc/26/82/00/794268200.db2.gz ANIDTIZACVNHSU-AXFHLTTASA-N 1 0 326.397 -1.108 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2CC(=O)N(C)C2)COC1(C)C ZINC001220244948 794268114 /nfs/dbraw/zinc/26/81/14/794268114.db2.gz ANIDTIZACVNHSU-DCAQKATOSA-N 1 0 326.397 -1.108 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC001220245161 794268150 /nfs/dbraw/zinc/26/81/50/794268150.db2.gz IKFKFBKYQBBBDZ-JQWIXIFHSA-N 1 0 346.391 -1.045 20 0 EAADRO CN1C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1=O ZINC001220245339 794268143 /nfs/dbraw/zinc/26/81/43/794268143.db2.gz OOQJGTRTNDLBLH-NEPJUHHUSA-N 1 0 343.449 -1.005 20 0 EAADRO CN1C[C@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1=O ZINC001220245340 794268209 /nfs/dbraw/zinc/26/82/09/794268209.db2.gz OOQJGTRTNDLBLH-NWDGAFQWSA-N 1 0 343.449 -1.005 20 0 EAADRO CN1C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1=O ZINC001220245341 794268017 /nfs/dbraw/zinc/26/80/17/794268017.db2.gz OOQJGTRTNDLBLH-RYUDHWBXSA-N 1 0 343.449 -1.005 20 0 EAADRO CN1C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1=O ZINC001220245342 794268055 /nfs/dbraw/zinc/26/80/55/794268055.db2.gz OOQJGTRTNDLBLH-VXGBXAGGSA-N 1 0 343.449 -1.005 20 0 EAADRO CN1C[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1=O ZINC001220245402 794267242 /nfs/dbraw/zinc/26/72/42/794267242.db2.gz QLWWYEVSQRYLKN-MNOVXSKESA-N 1 0 328.413 -1.161 20 0 EAADRO CN1C[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1=O ZINC001220245403 794268024 /nfs/dbraw/zinc/26/80/24/794268024.db2.gz QLWWYEVSQRYLKN-QWRGUYRKSA-N 1 0 328.413 -1.161 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001220245492 794268951 /nfs/dbraw/zinc/26/89/51/794268951.db2.gz DEKHPWUZQNJLSN-TUAOUCFPSA-N 1 0 337.380 -2.329 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001220245493 794269515 /nfs/dbraw/zinc/26/95/15/794269515.db2.gz DEKHPWUZQNJLSN-UTUOFQBUSA-N 1 0 337.380 -2.329 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001220246613 794268800 /nfs/dbraw/zinc/26/88/00/794268800.db2.gz ZLCSRGRLGGRNRL-NEPJUHHUSA-N 1 0 338.408 -1.574 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220249265 794268926 /nfs/dbraw/zinc/26/89/26/794268926.db2.gz AGXNEJIXKLQAQO-MNOVXSKESA-N 1 0 339.414 -2.775 20 0 EAADRO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249300 794269011 /nfs/dbraw/zinc/26/90/11/794269011.db2.gz BKYOQPWXKKVHJN-TUAOUCFPSA-N 1 0 337.442 -1.623 20 0 EAADRO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249301 794269757 /nfs/dbraw/zinc/26/97/57/794269757.db2.gz BKYOQPWXKKVHJN-UTUOFQBUSA-N 1 0 337.442 -1.623 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220249351 794268977 /nfs/dbraw/zinc/26/89/77/794268977.db2.gz DRHHWNUALVTAOP-UPJWGTAASA-N 1 0 349.453 -1.357 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220249352 794269675 /nfs/dbraw/zinc/26/96/75/794269675.db2.gz DRHHWNUALVTAOP-XQQFMLRXSA-N 1 0 349.453 -1.357 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220249374 794268694 /nfs/dbraw/zinc/26/86/94/794268694.db2.gz GKMRLWMZDTUPFP-TUAOUCFPSA-N 1 0 335.426 -1.747 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220249375 794268910 /nfs/dbraw/zinc/26/89/10/794268910.db2.gz GKMRLWMZDTUPFP-UTUOFQBUSA-N 1 0 335.426 -1.747 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249442 794269449 /nfs/dbraw/zinc/26/94/49/794269449.db2.gz JHRRCLLXIFNOEQ-NEPJUHHUSA-N 1 0 337.442 -1.359 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220249515 794269435 /nfs/dbraw/zinc/26/94/35/794269435.db2.gz MQGKDAFNLXXVMF-UPJWGTAASA-N 1 0 349.453 -1.215 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220249516 794268893 /nfs/dbraw/zinc/26/88/93/794268893.db2.gz MQGKDAFNLXXVMF-XQQFMLRXSA-N 1 0 349.453 -1.215 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220249544 794268773 /nfs/dbraw/zinc/26/87/73/794268773.db2.gz ODRIHMYHXQGMBS-OLZOCXBDSA-N 1 0 349.453 -1.357 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220249585 794269573 /nfs/dbraw/zinc/26/95/73/794269573.db2.gz QHOSXWAVKIVVLH-NEPJUHHUSA-N 1 0 345.425 -1.887 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220249629 794268559 /nfs/dbraw/zinc/26/85/59/794268559.db2.gz SSHVCCCMLXVKKL-OLZOCXBDSA-N 1 0 349.453 -1.357 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220249662 794269207 /nfs/dbraw/zinc/26/92/07/794269207.db2.gz UXTNOHZJMQBQCR-OLZOCXBDSA-N 1 0 349.453 -1.215 20 0 EAADRO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1)OC ZINC001220249673 794269350 /nfs/dbraw/zinc/26/93/50/794269350.db2.gz VQJFDPPSCUXSRA-TUAOUCFPSA-N 1 0 337.442 -1.359 20 0 EAADRO CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1)OC ZINC001220249674 794269777 /nfs/dbraw/zinc/26/97/77/794269777.db2.gz VQJFDPPSCUXSRA-UTUOFQBUSA-N 1 0 337.442 -1.359 20 0 EAADRO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249703 794269228 /nfs/dbraw/zinc/26/92/28/794269228.db2.gz XEOAGQJFYGHLNU-AXFHLTTASA-N 1 0 325.406 -1.036 20 0 EAADRO C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249704 794269418 /nfs/dbraw/zinc/26/94/18/794269418.db2.gz XEOAGQJFYGHLNU-MXWKQRLJSA-N 1 0 325.406 -1.036 20 0 EAADRO CCOCCC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249705 794268579 /nfs/dbraw/zinc/26/85/79/794268579.db2.gz XESZXHHANQQAMI-NEPJUHHUSA-N 1 0 337.442 -1.357 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249736 794271769 /nfs/dbraw/zinc/27/17/69/794271769.db2.gz YXLFFJBPFSDCAE-NEPJUHHUSA-N 1 0 337.442 -1.357 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220249742 794271262 /nfs/dbraw/zinc/27/12/62/794271262.db2.gz ZEGYYXOHAXKHFL-UPJWGTAASA-N 1 0 349.453 -1.215 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220249743 794270527 /nfs/dbraw/zinc/27/05/27/794270527.db2.gz ZEGYYXOHAXKHFL-XQQFMLRXSA-N 1 0 349.453 -1.215 20 0 EAADRO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001220251745 794271740 /nfs/dbraw/zinc/27/17/40/794271740.db2.gz DDIHZYCWYMMNRR-UWVGGRQHSA-N 1 0 339.400 -1.426 20 0 EAADRO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001220256544 794271938 /nfs/dbraw/zinc/27/19/38/794271938.db2.gz WJPQSXPSZCGHAF-OLZOCXBDSA-N 1 0 335.408 -1.128 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001220257544 794271965 /nfs/dbraw/zinc/27/19/65/794271965.db2.gz CTTHOSSSXPJCTJ-AXFHLTTASA-N 1 0 334.380 -1.808 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001220257545 794271783 /nfs/dbraw/zinc/27/17/83/794271783.db2.gz CTTHOSSSXPJCTJ-MXWKQRLJSA-N 1 0 334.380 -1.808 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257568 794271675 /nfs/dbraw/zinc/27/16/75/794271675.db2.gz FBKUQAWVECYAHN-TUAOUCFPSA-N 1 0 345.396 -2.563 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257569 794270764 /nfs/dbraw/zinc/27/07/64/794270764.db2.gz FBKUQAWVECYAHN-UTUOFQBUSA-N 1 0 345.396 -2.563 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257688 794270420 /nfs/dbraw/zinc/27/04/20/794270420.db2.gz KIQBJZVORLVHFG-NEPJUHHUSA-N 1 0 342.396 -2.434 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220257813 794270547 /nfs/dbraw/zinc/27/05/47/794270547.db2.gz PUNTXHPRDPBOPL-TUAOUCFPSA-N 1 0 338.408 -1.671 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220257814 794270873 /nfs/dbraw/zinc/27/08/73/794270873.db2.gz PUNTXHPRDPBOPL-UTUOFQBUSA-N 1 0 338.408 -1.671 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257855 794270396 /nfs/dbraw/zinc/27/03/96/794270396.db2.gz RMFRGARGQJUFRE-UPJWGTAASA-N 1 0 343.424 -1.553 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257856 794270595 /nfs/dbraw/zinc/27/05/95/794270595.db2.gz RMFRGARGQJUFRE-XQQFMLRXSA-N 1 0 343.424 -1.553 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220257881 794271545 /nfs/dbraw/zinc/27/15/45/794271545.db2.gz SGVGJOOUDZGUJI-UPJWGTAASA-N 1 0 341.408 -1.391 20 0 EAADRO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220257882 794271896 /nfs/dbraw/zinc/27/18/96/794271896.db2.gz SGVGJOOUDZGUJI-XQQFMLRXSA-N 1 0 341.408 -1.391 20 0 EAADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220268465 794271339 /nfs/dbraw/zinc/27/13/39/794271339.db2.gz JXKLMCLJWRAXPH-GFCCVEGCSA-N 1 0 329.364 -1.187 20 0 EAADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220268466 794271201 /nfs/dbraw/zinc/27/12/01/794271201.db2.gz JXKLMCLJWRAXPH-LBPRGKRZSA-N 1 0 329.364 -1.187 20 0 EAADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCS(=O)(=O)N(C)C ZINC001220268491 794270728 /nfs/dbraw/zinc/27/07/28/794270728.db2.gz LBFCEUYRVAJGJR-QWRGUYRKSA-N 1 0 336.458 -1.128 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCS(=O)(=O)N(C)C ZINC001220268655 794272945 /nfs/dbraw/zinc/27/29/45/794272945.db2.gz NCHZYMFWKBNLRB-YUMQZZPRSA-N 1 0 337.402 -3.299 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220268862 794273191 /nfs/dbraw/zinc/27/31/91/794273191.db2.gz JTDATMWCJVHRHK-KGLIPLIRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001220268863 794272857 /nfs/dbraw/zinc/27/28/57/794272857.db2.gz JVADJYJKWGVJQT-MNOVXSKESA-N 1 0 327.385 -2.316 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268929 794272489 /nfs/dbraw/zinc/27/24/89/794272489.db2.gz LPGJRRLRVJGCQO-KGLIPLIRSA-N 1 0 326.441 -1.032 20 0 EAADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220268968 794273906 /nfs/dbraw/zinc/27/39/06/794273906.db2.gz LWFVKLZUHKWGSP-OLZOCXBDSA-N 1 0 348.469 -1.961 20 0 EAADRO CN(C)S(=O)(=O)CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220269172 794273007 /nfs/dbraw/zinc/27/30/07/794273007.db2.gz WOEKRCRCPWIVJZ-UHFFFAOYSA-N 1 0 330.432 -2.786 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269366 794272589 /nfs/dbraw/zinc/27/25/89/794272589.db2.gz WLKZMSKIWWHMGN-JLLWLGSASA-N 1 0 341.412 -1.927 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269367 794272691 /nfs/dbraw/zinc/27/26/91/794272691.db2.gz WLKZMSKIWWHMGN-WCQGTBRESA-N 1 0 341.412 -1.927 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269437 794272932 /nfs/dbraw/zinc/27/29/32/794272932.db2.gz ZUMMBXPQERONSP-NEPJUHHUSA-N 1 0 341.412 -2.055 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220270297 794273440 /nfs/dbraw/zinc/27/34/40/794273440.db2.gz JNSXDHWVBJNDNV-TUAOUCFPSA-N 1 0 343.428 -1.666 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220270298 794272735 /nfs/dbraw/zinc/27/27/35/794272735.db2.gz JNSXDHWVBJNDNV-UTUOFQBUSA-N 1 0 343.428 -1.666 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001220270988 794273645 /nfs/dbraw/zinc/27/36/45/794273645.db2.gz ORCFQFKAKOYJKW-KWQFWETISA-N 1 0 333.352 -1.693 20 0 EAADRO O=C(CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1)Nc1nccs1 ZINC001220271177 794272812 /nfs/dbraw/zinc/27/28/12/794272812.db2.gz XFKMLHUDAMTHKY-SECBINFHSA-N 1 0 325.394 -1.082 20 0 EAADRO O=C(CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)Nc1nccs1 ZINC001220271178 794273752 /nfs/dbraw/zinc/27/37/52/794273752.db2.gz XFKMLHUDAMTHKY-VIFPVBQESA-N 1 0 325.394 -1.082 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCC(=O)Nc1nccs1 ZINC001220271199 794273635 /nfs/dbraw/zinc/27/36/35/794273635.db2.gz YINJVBGJZICLSM-UHFFFAOYSA-N 1 0 349.438 -1.192 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@@H]1O ZINC001220271552 794273627 /nfs/dbraw/zinc/27/36/27/794273627.db2.gz AHCGXRWTVSRCBQ-NEPJUHHUSA-N 1 0 336.396 -1.472 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@@H]1O ZINC001220271560 794272973 /nfs/dbraw/zinc/27/29/73/794272973.db2.gz AJDKMXJXZJGYLO-NEPJUHHUSA-N 1 0 338.412 -1.579 20 0 EAADRO CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271562 794272271 /nfs/dbraw/zinc/27/22/71/794272271.db2.gz AJXHOJPYUOPGPA-MNOVXSKESA-N 1 0 329.401 -2.055 20 0 EAADRO CN(CC1CC1)C(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271616 794273306 /nfs/dbraw/zinc/27/33/06/794273306.db2.gz BWKOQHNXMWTLEH-KGLIPLIRSA-N 1 0 326.441 -1.032 20 0 EAADRO CCCNC(=O)NC(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271646 794272309 /nfs/dbraw/zinc/27/23/09/794272309.db2.gz CRUYVHIJPWWQKA-NEPJUHHUSA-N 1 0 343.428 -1.665 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220271658 794273587 /nfs/dbraw/zinc/27/35/87/794273587.db2.gz CYNOMDXFGAVXFX-MJBXVCDLSA-N 1 0 341.387 -1.022 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)C[C@@H]1O ZINC001220271689 794273130 /nfs/dbraw/zinc/27/31/30/794273130.db2.gz DFVMLGHUSHBWDG-MCIONIFRSA-N 1 0 342.440 -1.605 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)C[C@@H]1O ZINC001220271690 794272928 /nfs/dbraw/zinc/27/29/28/794272928.db2.gz DFVMLGHUSHBWDG-MJBXVCDLSA-N 1 0 342.440 -1.605 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001220271820 794272333 /nfs/dbraw/zinc/27/23/33/794272333.db2.gz IRTXRCDKVOWDQE-KGLIPLIRSA-N 1 0 342.440 -1.605 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@@H]1O ZINC001220271947 794273788 /nfs/dbraw/zinc/27/37/88/794273788.db2.gz LWAPZRIHGCBNAU-NEPJUHHUSA-N 1 0 328.392 -1.139 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001220271950 794273896 /nfs/dbraw/zinc/27/38/96/794273896.db2.gz MCYQHRNEJVYXJM-NEPJUHHUSA-N 1 0 341.412 -2.942 20 0 EAADRO COCCCNC(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271952 794273331 /nfs/dbraw/zinc/27/33/31/794273331.db2.gz MGSVHLIRTDPUBR-OLZOCXBDSA-N 1 0 330.429 -1.748 20 0 EAADRO CN(C)c1noc(CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220271979 794273976 /nfs/dbraw/zinc/27/39/76/794273976.db2.gz NQRNTIMDBBZFTM-MNOVXSKESA-N 1 0 326.401 -1.251 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220271986 794272755 /nfs/dbraw/zinc/27/27/55/794272755.db2.gz NTGHHSZGOBIAGD-OLZOCXBDSA-N 1 0 328.413 -2.042 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220271995 794273982 /nfs/dbraw/zinc/27/39/82/794273982.db2.gz OEYSRMRHXIATIZ-MJBXVCDLSA-N 1 0 339.396 -1.999 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001220272046 794272316 /nfs/dbraw/zinc/27/23/16/794272316.db2.gz PUBRFXFJSMIPMF-NEPJUHHUSA-N 1 0 341.412 -1.912 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](O)C1 ZINC001220272056 794273200 /nfs/dbraw/zinc/27/32/00/794273200.db2.gz PZYVXQAPJKVNBM-MJBXVCDLSA-N 1 0 339.396 -1.735 20 0 EAADRO COCc1noc(CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220272162 794273556 /nfs/dbraw/zinc/27/35/56/794273556.db2.gz RTRDOPNOBVAGJK-MNOVXSKESA-N 1 0 327.385 -1.171 20 0 EAADRO CCOCCNC(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272185 794272880 /nfs/dbraw/zinc/27/28/80/794272880.db2.gz SRFBIJUHNXCGHR-OLZOCXBDSA-N 1 0 330.429 -1.748 20 0 EAADRO COCCc1noc(CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220272193 794272324 /nfs/dbraw/zinc/27/23/24/794272324.db2.gz SXZNGINTHKKHGO-NEPJUHHUSA-N 1 0 341.412 -1.129 20 0 EAADRO CC(C)n1nnnc1CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272210 794274005 /nfs/dbraw/zinc/27/40/05/794274005.db2.gz URAMZSVXNBDLPS-NEPJUHHUSA-N 1 0 325.417 -1.133 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@@H]1O ZINC001220272217 794273519 /nfs/dbraw/zinc/27/35/19/794273519.db2.gz VIZIUKUULNJGOG-CABCVRRESA-N 1 0 349.435 -1.189 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1O ZINC001220272311 794272983 /nfs/dbraw/zinc/27/29/83/794272983.db2.gz XNCOJVAYXIIPBN-ZJUUUORDSA-N 1 0 340.346 -1.222 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCn1nnc2ccccc21 ZINC001220272704 794272260 /nfs/dbraw/zinc/27/22/60/794272260.db2.gz JSUWMZOFMKFKMI-UHFFFAOYSA-N 1 0 340.409 -1.232 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCC(=O)Nc1nccs1 ZINC001220272735 794272834 /nfs/dbraw/zinc/27/28/34/794272834.db2.gz LBPMWVLRIAZUIT-YUMQZZPRSA-N 1 0 329.382 -1.588 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCn1nnc2ccccc21 ZINC001220272795 794272517 /nfs/dbraw/zinc/27/25/17/794272517.db2.gz NFTXSKDFTXEUPA-ONGXEEELSA-N 1 0 347.379 -1.745 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220273094 794274031 /nfs/dbraw/zinc/27/40/31/794274031.db2.gz BUDREOARMYSKOQ-NEPJUHHUSA-N 1 0 326.397 -1.752 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273262 794272885 /nfs/dbraw/zinc/27/28/85/794272885.db2.gz FUOSTAQOBLNIFG-AXFHLTTASA-N 1 0 329.401 -2.057 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273263 794273877 /nfs/dbraw/zinc/27/38/77/794273877.db2.gz FUOSTAQOBLNIFG-MXWKQRLJSA-N 1 0 329.401 -2.057 20 0 EAADRO COCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273413 794272401 /nfs/dbraw/zinc/27/24/01/794272401.db2.gz KBAMMASUJKNTIJ-MCIONIFRSA-N 1 0 344.456 -1.359 20 0 EAADRO COCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273414 794273104 /nfs/dbraw/zinc/27/31/04/794273104.db2.gz KBAMMASUJKNTIJ-MJBXVCDLSA-N 1 0 344.456 -1.359 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@@H]1O ZINC001220273868 794273952 /nfs/dbraw/zinc/27/39/52/794273952.db2.gz WSFZBDUNAFECOZ-MNOVXSKESA-N 1 0 325.369 -1.274 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220274851 794272865 /nfs/dbraw/zinc/27/28/65/794272865.db2.gz GQQSDDKTUGBLLI-OLZOCXBDSA-N 1 0 348.469 -1.865 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@@H]1O ZINC001220275015 794273937 /nfs/dbraw/zinc/27/39/37/794273937.db2.gz LSHVDHMXJHZCOC-OLZOCXBDSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220275137 794272990 /nfs/dbraw/zinc/27/29/90/794272990.db2.gz PZHBLPSJXSLSCU-MJBXVCDLSA-N 1 0 342.440 -1.917 20 0 EAADRO CN(CCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220275152 794273426 /nfs/dbraw/zinc/27/34/26/794273426.db2.gz QFNJTNGIJCRAMS-NEPJUHHUSA-N 1 0 336.458 -2.009 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@@H]1O ZINC001220275176 794273055 /nfs/dbraw/zinc/27/30/55/794273055.db2.gz QSOOSCRXKAAEMK-OLZOCXBDSA-N 1 0 348.407 -1.364 20 0 EAADRO COCCn1cncc1CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220275209 794273699 /nfs/dbraw/zinc/27/36/99/794273699.db2.gz VKVGXVPCPOVVRA-ONGXEEELSA-N 1 0 340.384 -2.147 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1O ZINC001220275334 794272902 /nfs/dbraw/zinc/27/29/02/794272902.db2.gz USIPSHBYJTYIHR-ZJUUUORDSA-N 1 0 342.425 -1.410 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001220275360 794272353 /nfs/dbraw/zinc/27/23/53/794272353.db2.gz VRIQHUPPGZOUAX-KGLIPLIRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220275372 794272463 /nfs/dbraw/zinc/27/24/63/794272463.db2.gz WEXGEPQFSLKDGR-MCIONIFRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220275373 794273532 /nfs/dbraw/zinc/27/35/32/794273532.db2.gz WEXGEPQFSLKDGR-MJBXVCDLSA-N 1 0 347.481 -1.076 20 0 EAADRO COCCn1cncc1CNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220275473 794273339 /nfs/dbraw/zinc/27/33/39/794273339.db2.gz YXBPGCULTURKKL-UHFFFAOYSA-N 1 0 333.414 -1.634 20 0 EAADRO CCCn1nnnc1CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276464 794272723 /nfs/dbraw/zinc/27/27/23/794272723.db2.gz BCXRXHGKTIACBV-NEPJUHHUSA-N 1 0 325.417 -1.304 20 0 EAADRO COCCc1nc(CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)no1 ZINC001220276493 794272299 /nfs/dbraw/zinc/27/22/99/794272299.db2.gz CJDCDZMWPVSDSE-NEPJUHHUSA-N 1 0 341.412 -1.129 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220276525 794275051 /nfs/dbraw/zinc/27/50/51/794275051.db2.gz DHAWIFHNWARNHX-UPJWGTAASA-N 1 0 333.454 -1.466 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220276526 794275537 /nfs/dbraw/zinc/27/55/37/794275537.db2.gz DHAWIFHNWARNHX-XQQFMLRXSA-N 1 0 333.454 -1.466 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220276572 794275319 /nfs/dbraw/zinc/27/53/19/794275319.db2.gz FOWVNWNSDMOLRN-MNOVXSKESA-N 1 0 327.385 -2.349 20 0 EAADRO C[C@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)CS(C)(=O)=O ZINC001220276652 794274771 /nfs/dbraw/zinc/27/47/71/794274771.db2.gz GSUAHNWFOWCPEB-UPJWGTAASA-N 1 0 335.470 -1.220 20 0 EAADRO C[C@@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)CS(C)(=O)=O ZINC001220276653 794275734 /nfs/dbraw/zinc/27/57/34/794275734.db2.gz GSUAHNWFOWCPEB-XQQFMLRXSA-N 1 0 335.470 -1.220 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@H]2CCOC2)C[C@@H]1O ZINC001220276730 794275408 /nfs/dbraw/zinc/27/54/08/794275408.db2.gz JKGGFPHMAXTBEJ-MCIONIFRSA-N 1 0 342.440 -1.748 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@@H]2CCOC2)C[C@@H]1O ZINC001220276731 794275349 /nfs/dbraw/zinc/27/53/49/794275349.db2.gz JKGGFPHMAXTBEJ-MJBXVCDLSA-N 1 0 342.440 -1.748 20 0 EAADRO CC(C)NC(=O)NCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276908 794274568 /nfs/dbraw/zinc/27/45/68/794274568.db2.gz MWWGHLIOHJQNOE-OLZOCXBDSA-N 1 0 329.445 -1.193 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220276936 794275168 /nfs/dbraw/zinc/27/51/68/794275168.db2.gz NSEJWOVNHZRZGQ-MCIONIFRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220276937 794274649 /nfs/dbraw/zinc/27/46/49/794274649.db2.gz NSEJWOVNHZRZGQ-MJBXVCDLSA-N 1 0 347.481 -1.076 20 0 EAADRO CCS(=O)(=O)NCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277039 794275777 /nfs/dbraw/zinc/27/57/77/794275777.db2.gz PPUSJTNDTGWLLB-NEPJUHHUSA-N 1 0 336.458 -1.961 20 0 EAADRO CCS(=O)(=O)CCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277081 794275874 /nfs/dbraw/zinc/27/58/74/794275874.db2.gz QDGLTWDLFRQCLI-OLZOCXBDSA-N 1 0 335.470 -1.076 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220277124 794274903 /nfs/dbraw/zinc/27/49/03/794274903.db2.gz RHMTZZUZVFFVPY-MCIONIFRSA-N 1 0 342.440 -1.653 20 0 EAADRO C[C@H]1CN(C(=O)CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220277125 794275691 /nfs/dbraw/zinc/27/56/91/794275691.db2.gz RHMTZZUZVFFVPY-MJBXVCDLSA-N 1 0 342.440 -1.653 20 0 EAADRO Cc1cccn2cc(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])nc12 ZINC001220278252 794274255 /nfs/dbraw/zinc/27/42/55/794274255.db2.gz JPPKKXSNGCIFBS-JQWIXIFHSA-N 1 0 346.391 -1.034 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1cn2ccccc2n1 ZINC001220278330 794274853 /nfs/dbraw/zinc/27/48/53/794274853.db2.gz NFLVDHXEQCISTH-JQWIXIFHSA-N 1 0 346.391 -1.300 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286262 794275519 /nfs/dbraw/zinc/27/55/19/794275519.db2.gz DVEMYZDJZMVBFI-CABZTGNLSA-N 1 0 340.355 -1.504 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC1OCCO1 ZINC001220289251 794275842 /nfs/dbraw/zinc/27/58/42/794275842.db2.gz XSRQNTCWLLYQCR-UWVGGRQHSA-N 1 0 328.369 -2.070 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O)[NH+](C)C ZINC001220289926 794275230 /nfs/dbraw/zinc/27/52/30/794275230.db2.gz INHSXWOPCVJMRB-JFGNBEQYSA-N 1 0 329.401 -2.071 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220290852 794275078 /nfs/dbraw/zinc/27/50/78/794275078.db2.gz GCJMAXWGXCUIEK-NEPJUHHUSA-N 1 0 341.412 -1.312 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1COC(=O)C1 ZINC001220295959 794274720 /nfs/dbraw/zinc/27/47/20/794274720.db2.gz BRBWPGBFUDQUCU-AEJSXWLSSA-N 1 0 326.353 -2.128 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1COC(=O)C1 ZINC001220296782 794274938 /nfs/dbraw/zinc/27/49/38/794274938.db2.gz XJJMXOZGZNCNOT-SSDOTTSWSA-N 1 0 329.313 -4.275 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220296999 794274700 /nfs/dbraw/zinc/27/47/00/794274700.db2.gz GEOCJJKOXWIGSN-NTZNESFSSA-N 1 0 343.428 -1.811 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O)[NH+](C)C ZINC001220297086 794274630 /nfs/dbraw/zinc/27/46/30/794274630.db2.gz KJNKPQOYPNFMHW-NTZNESFSSA-N 1 0 325.417 -1.542 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O)[NH+](C)C ZINC001220297093 794275216 /nfs/dbraw/zinc/27/52/16/794275216.db2.gz KSQYROBRHKMMFB-NTZNESFSSA-N 1 0 340.428 -1.644 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O)[NH+](C)C ZINC001220297178 794275576 /nfs/dbraw/zinc/27/55/76/794275576.db2.gz OFNKXNTURSYBOY-NTZNESFSSA-N 1 0 325.417 -1.542 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001220297215 794275822 /nfs/dbraw/zinc/27/58/22/794275822.db2.gz PZEVICUJZBHJFY-VNHYZAJKSA-N 1 0 326.441 -1.034 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220297230 794275465 /nfs/dbraw/zinc/27/54/65/794275465.db2.gz QLCOHKHGDNYUDO-HZSPNIEDSA-N 1 0 341.456 -1.241 20 0 EAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220306426 794277048 /nfs/dbraw/zinc/27/70/48/794277048.db2.gz JUZDHQXYEYJCRQ-AAVRWANBSA-N 1 0 326.441 -1.128 20 0 EAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220306427 794277096 /nfs/dbraw/zinc/27/70/96/794277096.db2.gz JUZDHQXYEYJCRQ-REWJHTLYSA-N 1 0 326.441 -1.128 20 0 EAADRO C[N@@H+]1CCCN(CCNC(=O)Cn2cnc3c2nc(N)[nH]c3=O)CC1 ZINC001220307343 794276438 /nfs/dbraw/zinc/27/64/38/794276438.db2.gz XJAPRUQMHGIOKX-UHFFFAOYSA-N 1 0 348.411 -1.132 20 0 EAADRO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220311470 794276979 /nfs/dbraw/zinc/27/69/79/794276979.db2.gz UWQJVRDPYXSOSF-HZSPNIEDSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220311471 794276919 /nfs/dbraw/zinc/27/69/19/794276919.db2.gz UWQJVRDPYXSOSF-RDBSUJKOSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CNC(=O)CO1 ZINC001220315631 794276307 /nfs/dbraw/zinc/27/63/07/794276307.db2.gz GFONISTXTSQIKY-UWVGGRQHSA-N 1 0 330.385 -2.124 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315632 794276343 /nfs/dbraw/zinc/27/63/43/794276343.db2.gz GFONISTXTSQIKY-ZJUUUORDSA-N 1 0 330.385 -2.124 20 0 EAADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316636 794276277 /nfs/dbraw/zinc/27/62/77/794276277.db2.gz RSUYYHSCKBBYBS-OLZOCXBDSA-N 1 0 334.376 -1.696 20 0 EAADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316637 794277059 /nfs/dbraw/zinc/27/70/59/794277059.db2.gz RSUYYHSCKBBYBS-STQMWFEESA-N 1 0 334.376 -1.696 20 0 EAADRO O=C(NC[C@H]1CNC(=O)CO1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220317146 794277278 /nfs/dbraw/zinc/27/72/78/794277278.db2.gz WNHCEXUWANEDQY-GHMZBOCLSA-N 1 0 345.421 -1.968 20 0 EAADRO O=C(NC[C@H]1CNC(=O)CO1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220317170 794276645 /nfs/dbraw/zinc/27/66/45/794276645.db2.gz WNHCEXUWANEDQY-MNOVXSKESA-N 1 0 345.421 -1.968 20 0 EAADRO O=C(NC[C@@H]1CNC(=O)CO1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220317171 794278687 /nfs/dbraw/zinc/27/86/87/794278687.db2.gz WNHCEXUWANEDQY-QWRGUYRKSA-N 1 0 345.421 -1.968 20 0 EAADRO O=C(NC[C@@H]1CNC(=O)CO1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220317172 794277923 /nfs/dbraw/zinc/27/79/23/794277923.db2.gz WNHCEXUWANEDQY-WDEREUQCSA-N 1 0 345.421 -1.968 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2CNC(=O)CO2)COC1(C)C ZINC001220317439 794278463 /nfs/dbraw/zinc/27/84/63/794278463.db2.gz ZDKNWGYIGYVFFZ-AEJSXWLSSA-N 1 0 328.369 -2.072 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2CNC(=O)CO2)COC1(C)C ZINC001220317440 794277904 /nfs/dbraw/zinc/27/79/04/794277904.db2.gz ZDKNWGYIGYVFFZ-GUBZILKMSA-N 1 0 328.369 -2.072 20 0 EAADRO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220318341 794278761 /nfs/dbraw/zinc/27/87/61/794278761.db2.gz OGAIQXOQWIRCNA-HZSPNIEDSA-N 1 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COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](O)C1 ZINC001220327128 794279674 /nfs/dbraw/zinc/27/96/74/794279674.db2.gz YDYCVDXXBIBHNE-RTXFEEFZSA-N 1 0 325.365 -1.122 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](O)C1 ZINC001220327129 794280195 /nfs/dbraw/zinc/28/01/95/794280195.db2.gz YDYCVDXXBIBHNE-UHTWSYAYSA-N 1 0 325.365 -1.122 20 0 EAADRO NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220328740 794279323 /nfs/dbraw/zinc/27/93/23/794279323.db2.gz COIUPTCHVOWAOB-BQBZGAKWSA-N 1 0 328.291 -1.875 20 0 EAADRO NC(=O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220328741 794279125 /nfs/dbraw/zinc/27/91/25/794279125.db2.gz COIUPTCHVOWAOB-NKWVEPMBSA-N 1 0 328.291 -1.875 20 0 EAADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H](CO)C(N)=O ZINC001220329122 794279868 /nfs/dbraw/zinc/27/98/68/794279868.db2.gz GTEYIPKCGSZODG-MMWGEVLESA-N 1 0 348.469 -1.440 20 0 EAADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(N)=O ZINC001220329127 794279594 /nfs/dbraw/zinc/27/95/94/794279594.db2.gz GTEYIPKCGSZODG-NAKRPEOUSA-N 1 0 348.469 -1.440 20 0 EAADRO NC(=O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12 ZINC001220329235 794279398 /nfs/dbraw/zinc/27/93/98/794279398.db2.gz JZROZTBQLOIGPH-NWDGAFQWSA-N 1 0 349.343 -1.279 20 0 EAADRO NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12 ZINC001220329236 794279446 /nfs/dbraw/zinc/27/94/46/794279446.db2.gz JZROZTBQLOIGPH-RYUDHWBXSA-N 1 0 349.343 -1.279 20 0 EAADRO COc1ccc2c(C[C@H]([NH3+])C(=O)N[C@H](CO)C(N)=O)cc(=O)oc2c1 ZINC001220329426 794280006 /nfs/dbraw/zinc/28/00/06/794280006.db2.gz PFTIBMZLQBROPK-NWDGAFQWSA-N 1 0 349.343 -1.366 20 0 EAADRO COc1ccc2c(C[C@H]([NH3+])C(=O)N[C@@H](CO)C(N)=O)cc(=O)oc2c1 ZINC001220329427 794279369 /nfs/dbraw/zinc/27/93/69/794279369.db2.gz PFTIBMZLQBROPK-RYUDHWBXSA-N 1 0 349.343 -1.366 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(N)=O ZINC001220329694 794279848 /nfs/dbraw/zinc/27/98/48/794279848.db2.gz XNYJGCBTPIAKEF-AXFHLTTASA-N 1 0 344.412 -1.918 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O ZINC001220329695 794279877 /nfs/dbraw/zinc/27/98/77/794279877.db2.gz XNYJGCBTPIAKEF-DCAQKATOSA-N 1 0 344.412 -1.918 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](CO)C(N)=O ZINC001220329758 794279872 /nfs/dbraw/zinc/27/98/72/794279872.db2.gz ZQJQGIISYFNNJG-CIUDSAMLSA-N 1 0 329.357 -3.597 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H](CO)C(N)=O ZINC001220329759 794279960 /nfs/dbraw/zinc/27/99/60/794279960.db2.gz ZQJQGIISYFNNJG-YIZRAAEISA-N 1 0 329.357 -3.597 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnc3c2ncn3C)[C@@H](O)C1 ZINC001220334354 794279907 /nfs/dbraw/zinc/27/99/07/794279907.db2.gz RLVOHMOMHXALKC-RTXFEEFZSA-N 1 0 349.391 -1.250 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnc3c2ncn3C)[C@@H](O)C1 ZINC001220334355 794279890 /nfs/dbraw/zinc/27/98/90/794279890.db2.gz RLVOHMOMHXALKC-UHTWSYAYSA-N 1 0 349.391 -1.250 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1nn(C)cc1Br ZINC001220334737 794279912 /nfs/dbraw/zinc/27/99/12/794279912.db2.gz BBHWGZNDKJIDOL-XPUUQOCRSA-N 1 0 348.201 -1.377 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001220339892 794281448 /nfs/dbraw/zinc/28/14/48/794281448.db2.gz OPHCOIMKFFCGFH-MNOVXSKESA-N 1 0 342.371 -1.161 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001220340187 794281602 /nfs/dbraw/zinc/28/16/02/794281602.db2.gz XOLKLXLIBSMGIH-UPJWGTAASA-N 1 0 334.388 -1.079 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001220340188 794280820 /nfs/dbraw/zinc/28/08/20/794280820.db2.gz XOLKLXLIBSMGIH-XQQFMLRXSA-N 1 0 334.388 -1.079 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCC1COC1 ZINC001220340785 794281198 /nfs/dbraw/zinc/28/11/98/794281198.db2.gz ONZNWLKQUYVWMZ-UHFFFAOYSA-N 1 0 329.357 -3.554 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCC1COC1 ZINC001220341274 794281250 /nfs/dbraw/zinc/28/12/50/794281250.db2.gz VQJBJQNTUAAQJL-JQWIXIFHSA-N 1 0 326.397 -1.407 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O)[NH+](CC)CC ZINC001220342478 794281313 /nfs/dbraw/zinc/28/13/13/794281313.db2.gz DIVWGHYHBZFHPW-AGIUHOORSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O)[NH+](CC)CC ZINC001220342479 794280943 /nfs/dbraw/zinc/28/09/43/794280943.db2.gz DIVWGHYHBZFHPW-UPJWGTAASA-N 1 0 339.444 -1.008 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O)[NH+](CC)CC ZINC001220342819 794280656 /nfs/dbraw/zinc/28/06/56/794280656.db2.gz PBAARTCROHTHJD-AGIUHOORSA-N 1 0 339.444 -1.008 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O)[NH+](CC)CC ZINC001220342820 794281438 /nfs/dbraw/zinc/28/14/38/794281438.db2.gz PBAARTCROHTHJD-UPJWGTAASA-N 1 0 339.444 -1.008 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccn(CC2CC2)c1=O ZINC001220343618 794281809 /nfs/dbraw/zinc/28/18/09/794281809.db2.gz VFSSIAHWBGYZDW-CABZTGNLSA-N 1 0 349.391 -1.096 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O)[NH+](CC)CC ZINC001220345495 794280969 /nfs/dbraw/zinc/28/09/69/794280969.db2.gz XXBKHNWBHKYVKN-UTUOFQBUSA-N 1 0 343.428 -1.537 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O)[NH+](CC)CC ZINC001220345496 794281618 /nfs/dbraw/zinc/28/16/18/794281618.db2.gz XXBKHNWBHKYVKN-WOPDTQHZSA-N 1 0 343.428 -1.537 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H](O)C1 ZINC001220347353 794281069 /nfs/dbraw/zinc/28/10/69/794281069.db2.gz NPVHSUIUQYMOBE-RQJABVFESA-N 1 0 343.424 -1.180 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H](O)C1 ZINC001220347518 794281559 /nfs/dbraw/zinc/28/15/59/794281559.db2.gz QWRXBHUUOZPMOM-RQJABVFESA-N 1 0 343.424 -1.180 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220347736 794281822 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KIRVRURMSIEVRI-XQQFMLRXSA-N 1 0 348.469 -1.819 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220351970 794282750 /nfs/dbraw/zinc/28/27/50/794282750.db2.gz ORYFLSMZKRVNPM-AXFHLTTASA-N 1 0 327.385 -2.173 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220351971 794282891 /nfs/dbraw/zinc/28/28/91/794282891.db2.gz ORYFLSMZKRVNPM-MXWKQRLJSA-N 1 0 327.385 -2.173 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352089 794282185 /nfs/dbraw/zinc/28/21/85/794282185.db2.gz SXJXHERXOWVKAG-TUAOUCFPSA-N 1 0 341.412 -1.912 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352090 794282991 /nfs/dbraw/zinc/28/29/91/794282991.db2.gz SXJXHERXOWVKAG-UTUOFQBUSA-N 1 0 341.412 -1.912 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220355173 794282691 /nfs/dbraw/zinc/28/26/91/794282691.db2.gz GHBWXTZVDISZEV-UPJWGTAASA-N 1 0 348.469 -1.961 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220355174 794281962 /nfs/dbraw/zinc/28/19/62/794281962.db2.gz GHBWXTZVDISZEV-XQQFMLRXSA-N 1 0 348.469 -1.961 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355224 794282159 /nfs/dbraw/zinc/28/21/59/794282159.db2.gz IEYHUHAFXAKSIY-MCIONIFRSA-N 1 0 326.441 -1.032 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355225 794282144 /nfs/dbraw/zinc/28/21/44/794282144.db2.gz IEYHUHAFXAKSIY-MJBXVCDLSA-N 1 0 326.441 -1.032 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220355437 794282197 /nfs/dbraw/zinc/28/21/97/794282197.db2.gz PQFNNKNGGDYNDS-MCIONIFRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220355438 794282718 /nfs/dbraw/zinc/28/27/18/794282718.db2.gz PQFNNKNGGDYNDS-MJBXVCDLSA-N 1 0 347.481 -1.076 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)C1 ZINC001220355566 794283356 /nfs/dbraw/zinc/28/33/56/794283356.db2.gz VAHUFYDTKGKXGO-AXFHLTTASA-N 1 0 327.385 -2.316 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)C1 ZINC001220355567 794282767 /nfs/dbraw/zinc/28/27/67/794282767.db2.gz VAHUFYDTKGKXGO-MXWKQRLJSA-N 1 0 327.385 -2.316 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355712 794282218 /nfs/dbraw/zinc/28/22/18/794282218.db2.gz ZKVHZOSQTFFQRD-TUAOUCFPSA-N 1 0 341.412 -2.055 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355713 794282915 /nfs/dbraw/zinc/28/29/15/794282915.db2.gz ZKVHZOSQTFFQRD-UTUOFQBUSA-N 1 0 341.412 -2.055 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ccnc(OC)c2)[C@@H](O)C1 ZINC001220358104 794282065 /nfs/dbraw/zinc/28/20/65/794282065.db2.gz YYWWWOFCXJGOAS-MCIONIFRSA-N 1 0 339.392 -1.199 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ccnc(OC)c2)[C@@H](O)C1 ZINC001220358105 794282463 /nfs/dbraw/zinc/28/24/63/794282463.db2.gz YYWWWOFCXJGOAS-MJBXVCDLSA-N 1 0 339.392 -1.199 20 0 EAADRO Cn1nnc(CN2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220359345 794283608 /nfs/dbraw/zinc/28/36/08/794283608.db2.gz JCRHEORWYHQFDO-NEPJUHHUSA-N 1 0 339.444 -1.151 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)C1 ZINC001220359427 794282623 /nfs/dbraw/zinc/28/26/23/794282623.db2.gz MARGBVFGBFFOSI-MNOVXSKESA-N 1 0 341.412 -1.926 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220359636 794282251 /nfs/dbraw/zinc/28/22/51/794282251.db2.gz ROXPXPNJRIJHQM-KGLIPLIRSA-N 1 0 329.441 -1.112 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@@H](O)C1 ZINC001220359657 794282351 /nfs/dbraw/zinc/28/23/51/794282351.db2.gz SMXHVPSCDPIOQV-UPJWGTAASA-N 1 0 334.388 -1.079 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@@H](O)C1 ZINC001220359658 794282795 /nfs/dbraw/zinc/28/27/95/794282795.db2.gz SMXHVPSCDPIOQV-XQQFMLRXSA-N 1 0 334.388 -1.079 20 0 EAADRO Cn1nnnc1CN1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359675 794282283 /nfs/dbraw/zinc/28/22/83/794282283.db2.gz SYRRUAULCXSRME-NEPJUHHUSA-N 1 0 339.444 -1.151 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220363807 794284492 /nfs/dbraw/zinc/28/44/92/794284492.db2.gz PYHHKAJTGXGVTB-XQHKEYJVSA-N 1 0 342.396 -2.578 20 0 EAADRO C[N@H+](CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O)CC(C)(C)C ZINC001220366814 794284121 /nfs/dbraw/zinc/28/41/21/794284121.db2.gz CJEZWDJXASPQCQ-MNOVXSKESA-N 1 0 343.428 -1.680 20 0 EAADRO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001220367346 794284921 /nfs/dbraw/zinc/28/49/21/794284921.db2.gz UQUYFAYJXGYSAU-KGLIPLIRSA-N 1 0 333.396 -1.194 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220367347 794284967 /nfs/dbraw/zinc/28/49/67/794284967.db2.gz URVPNLJNSWAHJZ-AXTRIDKLSA-N 1 0 326.353 -2.104 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220367348 794284897 /nfs/dbraw/zinc/28/48/97/794284897.db2.gz URVPNLJNSWAHJZ-FXAINCCUSA-N 1 0 326.353 -2.104 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(Cl)nn1 ZINC001220368624 794285098 /nfs/dbraw/zinc/28/50/98/794285098.db2.gz JELKSANSKUZENA-XPUUQOCRSA-N 1 0 328.760 -1.546 20 0 EAADRO CCOC(=O)C1(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CCC1 ZINC001220371236 794284373 /nfs/dbraw/zinc/28/43/73/794284373.db2.gz RBUZAMWAVCOQNX-UWVGGRQHSA-N 1 0 342.396 -1.457 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 ZINC001220371901 794284530 /nfs/dbraw/zinc/28/45/30/794284530.db2.gz ZNSUMYKJNLSSLG-UTUOFQBUSA-N 1 0 335.364 -1.489 20 0 EAADRO C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001220372943 794284600 /nfs/dbraw/zinc/28/46/00/794284600.db2.gz RMORCHDDRDNNFR-CABCVRRESA-N 1 0 334.420 -1.193 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 ZINC001220373088 794284997 /nfs/dbraw/zinc/28/49/97/794284997.db2.gz ZNSUMYKJNLSSLG-TUAOUCFPSA-N 1 0 335.364 -1.489 20 0 EAADRO COC(=O)c1n[nH]cc1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001220373166 794284986 /nfs/dbraw/zinc/28/49/86/794284986.db2.gz DDBLJRCZHMASRP-NKWVEPMBSA-N 1 0 340.340 -1.768 20 0 EAADRO COC(=O)c1n[nH]cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220373495 794284809 /nfs/dbraw/zinc/28/48/09/794284809.db2.gz PICSICCFJFSKKA-WDSKDSINSA-N 1 0 326.313 -2.158 20 0 EAADRO COC(=O)c1n[nH]cc1NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220373664 794284763 /nfs/dbraw/zinc/28/47/63/794284763.db2.gz WWGPGZICJFIPCU-SSDOTTSWSA-N 1 0 328.350 -1.089 20 0 EAADRO COC(=O)c1n[nH]cc1NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220373665 794284150 /nfs/dbraw/zinc/28/41/50/794284150.db2.gz WWGPGZICJFIPCU-ZETCQYMHSA-N 1 0 328.350 -1.089 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220373754 794284788 /nfs/dbraw/zinc/28/47/88/794284788.db2.gz ACBWMINVUUMYJO-UPJWGTAASA-N 1 0 327.385 -2.084 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220373755 794284229 /nfs/dbraw/zinc/28/42/29/794284229.db2.gz ACBWMINVUUMYJO-XQQFMLRXSA-N 1 0 327.385 -2.084 20 0 EAADRO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220373971 794284678 /nfs/dbraw/zinc/28/46/78/794284678.db2.gz KQPGWCJRACYCJV-OLZOCXBDSA-N 1 0 327.385 -2.082 20 0 EAADRO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001220373999 794283906 /nfs/dbraw/zinc/28/39/06/794283906.db2.gz MASQUOMFLOVVEF-CABCVRRESA-N 1 0 347.423 -1.115 20 0 EAADRO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCc3cnn(C)n3)[C@@H](O)C2)cn1 ZINC001220374091 794286061 /nfs/dbraw/zinc/28/60/61/794286061.db2.gz RFSXDLKLJKYPRT-CABCVRRESA-N 1 0 347.423 -1.115 20 0 EAADRO COCCOCC[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374130 794285923 /nfs/dbraw/zinc/28/59/23/794285923.db2.gz SVXXWUHKGIJJGG-KGLIPLIRSA-N 1 0 341.412 -1.428 20 0 EAADRO CCOCCNC(=O)CN1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375752 794285505 /nfs/dbraw/zinc/28/55/05/794285505.db2.gz DLDOHVUDNCUWOA-RDBSUJKOSA-N 1 0 344.456 -1.359 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@@H]1O)[NH+](C)C ZINC001220375861 794285957 /nfs/dbraw/zinc/28/59/57/794285957.db2.gz HYYHWOUIMVQAIE-VWYCJHECSA-N 1 0 329.401 -2.057 20 0 EAADRO CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375897 794286501 /nfs/dbraw/zinc/28/65/01/794286501.db2.gz JDHVDIJUPWISCZ-WOPDTQHZSA-N 1 0 343.428 -1.666 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1O)[NH+](C)C ZINC001220376296 794286235 /nfs/dbraw/zinc/28/62/35/794286235.db2.gz VBEANKZFWXJMNM-RDBSUJKOSA-N 1 0 342.440 -1.653 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O)[NH+](C)C ZINC001220376366 794286605 /nfs/dbraw/zinc/28/66/05/794286605.db2.gz XBKVTYOAKAANRE-VWYCJHECSA-N 1 0 326.401 -1.890 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@@H]1O)[NH+](C)C ZINC001220377944 794286427 /nfs/dbraw/zinc/28/64/27/794286427.db2.gz USVUOBHNXUSODK-RDBSUJKOSA-N 1 0 344.456 -1.359 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220377955 794286510 /nfs/dbraw/zinc/28/65/10/794286510.db2.gz VBNLGGGTSPPZGH-MCIONIFRSA-N 1 0 342.440 -1.605 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220377956 794285801 /nfs/dbraw/zinc/28/58/01/794285801.db2.gz VBNLGGGTSPPZGH-MJBXVCDLSA-N 1 0 342.440 -1.605 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220379939 794286834 /nfs/dbraw/zinc/28/68/34/794286834.db2.gz KKYHENOWDDLSKZ-AGIUHOORSA-N 1 0 327.429 -1.487 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001220380239 794287048 /nfs/dbraw/zinc/28/70/48/794287048.db2.gz VKNBGRREFLXCME-AGIUHOORSA-N 1 0 335.470 -1.077 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220380247 794286578 /nfs/dbraw/zinc/28/65/78/794286578.db2.gz VRZRHBUZLWXNGI-WOPDTQHZSA-N 1 0 341.412 -1.960 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001220380308 794286976 /nfs/dbraw/zinc/28/69/76/794286976.db2.gz YIIURGYZULDCEU-WOPDTQHZSA-N 1 0 336.458 -1.963 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2COCCN2C)COC1(C)C ZINC001220380978 794286217 /nfs/dbraw/zinc/28/62/17/794286217.db2.gz FIZIFSGORMXPCT-SRVKXCTJSA-N 1 0 328.413 -1.256 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2COCCN2C)COC1(C)C ZINC001220380979 794286915 /nfs/dbraw/zinc/28/69/15/794286915.db2.gz FIZIFSGORMXPCT-TUAOUCFPSA-N 1 0 328.413 -1.256 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220381034 794286168 /nfs/dbraw/zinc/28/61/68/794286168.db2.gz JDGBFJGOMMJBDO-AGIUHOORSA-N 1 0 340.424 -1.363 20 0 EAADRO CN1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220381638 794286319 /nfs/dbraw/zinc/28/63/19/794286319.db2.gz MBMGABXHKMJOHD-CHWSQXEVSA-N 1 0 345.465 -1.152 20 0 EAADRO CN1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220381649 794286208 /nfs/dbraw/zinc/28/62/08/794286208.db2.gz MBMGABXHKMJOHD-OLZOCXBDSA-N 1 0 345.465 -1.152 20 0 EAADRO CN1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220381653 794285682 /nfs/dbraw/zinc/28/56/82/794285682.db2.gz MBMGABXHKMJOHD-QWHCGFSZSA-N 1 0 345.465 -1.152 20 0 EAADRO CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220381655 794286476 /nfs/dbraw/zinc/28/64/76/794286476.db2.gz MBMGABXHKMJOHD-STQMWFEESA-N 1 0 345.465 -1.152 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)CCc3cn[nH]n3)[C@@H](O)C2)cc1=O ZINC001220383135 794285553 /nfs/dbraw/zinc/28/55/53/794285553.db2.gz YYTDYJAWZJYAEZ-KGLIPLIRSA-N 1 0 346.391 -1.203 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC1(O)CCC1 ZINC001220383904 794286561 /nfs/dbraw/zinc/28/65/61/794286561.db2.gz FWANOVYJSBFZSX-QWRGUYRKSA-N 1 0 326.397 -1.528 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@@H](O)C1 ZINC001220385432 794286352 /nfs/dbraw/zinc/28/63/52/794286352.db2.gz HFUJECKKCKMSLY-JLLWLGSASA-N 1 0 341.364 -1.422 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@@H](O)C1 ZINC001220385434 794286944 /nfs/dbraw/zinc/28/69/44/794286944.db2.gz HFUJECKKCKMSLY-WCQGTBRESA-N 1 0 341.364 -1.422 20 0 EAADRO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220385702 794286084 /nfs/dbraw/zinc/28/60/84/794286084.db2.gz NYVWQTBRXLBQBF-NEPJUHHUSA-N 1 0 341.364 -1.420 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1c[nH]c2cccnc12 ZINC001220386084 794285658 /nfs/dbraw/zinc/28/56/58/794285658.db2.gz JBOLFGCDMLZRPU-CABZTGNLSA-N 1 0 346.391 -1.071 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387093 794286694 /nfs/dbraw/zinc/28/66/94/794286694.db2.gz BHCJLDDAGOKXPK-UPJWGTAASA-N 1 0 338.412 -1.177 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387094 794286525 /nfs/dbraw/zinc/28/65/25/794286525.db2.gz BHCJLDDAGOKXPK-XQQFMLRXSA-N 1 0 338.412 -1.177 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387835 794289537 /nfs/dbraw/zinc/28/95/37/794289537.db2.gz SRKYJLJTLBIYFD-UPJWGTAASA-N 1 0 338.412 -1.177 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387836 794287504 /nfs/dbraw/zinc/28/75/04/794287504.db2.gz SRKYJLJTLBIYFD-XQQFMLRXSA-N 1 0 338.412 -1.177 20 0 EAADRO C[C@H](COCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388090 794287363 /nfs/dbraw/zinc/28/73/63/794287363.db2.gz ZZDOUUPRLYGHKC-UPJWGTAASA-N 1 0 328.413 -1.866 20 0 EAADRO C[C@@H](COCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388092 794288980 /nfs/dbraw/zinc/28/89/80/794288980.db2.gz ZZDOUUPRLYGHKC-XQQFMLRXSA-N 1 0 328.413 -1.866 20 0 EAADRO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](O)C1 ZINC001220389380 794289613 /nfs/dbraw/zinc/28/96/13/794289613.db2.gz GRGPIAHSDDYAMG-KGLIPLIRSA-N 1 0 333.396 -1.125 20 0 EAADRO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCc3cn[nH]n3)[C@@H](O)C2)cn1 ZINC001220389466 794288847 /nfs/dbraw/zinc/28/88/47/794288847.db2.gz LRVLTLXLKNIYTI-KGLIPLIRSA-N 1 0 333.396 -1.125 20 0 EAADRO O=C(NCc1ccc(N2CCOCC2)nn1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220389728 794289602 /nfs/dbraw/zinc/28/96/02/794289602.db2.gz CVDZTOWIOTYFGX-BLLLJJGKSA-N 1 0 332.408 -1.119 20 0 EAADRO O=C(NCc1ccc(N2CCOCC2)nn1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220389729 794287705 /nfs/dbraw/zinc/28/77/05/794287705.db2.gz CVDZTOWIOTYFGX-LRDDRELGSA-N 1 0 332.408 -1.119 20 0 EAADRO O=C(NCc1ccc(N2CCOCC2)nn1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220389730 794288637 /nfs/dbraw/zinc/28/86/37/794288637.db2.gz CVDZTOWIOTYFGX-MLGOLLRUSA-N 1 0 332.408 -1.119 20 0 EAADRO O=C(NCc1ccc(N2CCOCC2)nn1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220389731 794288584 /nfs/dbraw/zinc/28/85/84/794288584.db2.gz CVDZTOWIOTYFGX-WBMJQRKESA-N 1 0 332.408 -1.119 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1ncccc1O ZINC001220389834 794288543 /nfs/dbraw/zinc/28/85/43/794288543.db2.gz FKUJUIFXCCHGHJ-JQWIXIFHSA-N 1 0 349.391 -1.142 20 0 EAADRO O=C(NCc1ccc(N2CCOCC2)nn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220389839 794288339 /nfs/dbraw/zinc/28/83/39/794288339.db2.gz FPSWIUUPYSVLCC-FPMFFAJLSA-N 1 0 332.408 -1.121 20 0 EAADRO O=C(NCc1ccc(N2CCOCC2)nn1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220389944 794289406 /nfs/dbraw/zinc/28/94/06/794289406.db2.gz HXNZVWDJAIYHPC-CYBMUJFWSA-N 1 0 348.407 -1.740 20 0 EAADRO O=C(NCc1ccc(N2CCOCC2)nn1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220389945 794288654 /nfs/dbraw/zinc/28/86/54/794288654.db2.gz HXNZVWDJAIYHPC-ZDUSSCGKSA-N 1 0 348.407 -1.740 20 0 EAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390166 794289087 /nfs/dbraw/zinc/28/90/87/794289087.db2.gz QZUXJTNMMXMQRY-ZDUSSCGKSA-N 1 0 348.407 -1.121 20 0 EAADRO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220391579 794289556 /nfs/dbraw/zinc/28/95/56/794289556.db2.gz KKZFQQUJCSOKHS-UPJWGTAASA-N 1 0 346.395 -1.322 20 0 EAADRO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220391581 794289315 /nfs/dbraw/zinc/28/93/15/794289315.db2.gz KKZFQQUJCSOKHS-XQQFMLRXSA-N 1 0 346.395 -1.322 20 0 EAADRO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220392456 794289446 /nfs/dbraw/zinc/28/94/46/794289446.db2.gz GXCFINHDNOCNHL-MCIONIFRSA-N 1 0 349.395 -1.844 20 0 EAADRO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220392457 794288022 /nfs/dbraw/zinc/28/80/22/794288022.db2.gz GXCFINHDNOCNHL-MJBXVCDLSA-N 1 0 349.395 -1.844 20 0 EAADRO CO[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220393373 794288318 /nfs/dbraw/zinc/28/83/18/794288318.db2.gz TZKYQNZQZLTBLO-BPNCWPANSA-N 1 0 339.392 -1.110 20 0 EAADRO C=CC(=O)NCCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220395041 794288305 /nfs/dbraw/zinc/28/83/05/794288305.db2.gz SWTWERUBNDYYBL-LLVKDONJSA-N 1 0 329.422 -1.181 20 0 EAADRO C=CC(=O)NCCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220395042 794288361 /nfs/dbraw/zinc/28/83/61/794288361.db2.gz SWTWERUBNDYYBL-NSHDSACASA-N 1 0 329.422 -1.181 20 0 EAADRO COc1ccc(CCNC(=O)CN(CC[NH3+])S(C)(=O)=O)nc1 ZINC001220396617 794290108 /nfs/dbraw/zinc/29/01/08/794290108.db2.gz FGMWFAHWLCSHSJ-UHFFFAOYSA-N 1 0 330.410 -1.031 20 0 EAADRO COc1ccc(CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])nc1 ZINC001220396961 794290797 /nfs/dbraw/zinc/29/07/97/794290797.db2.gz SLJPIMQGOGXGHC-CABZTGNLSA-N 1 0 337.380 -1.544 20 0 EAADRO C=CC(=O)NCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220397036 794290631 /nfs/dbraw/zinc/29/06/31/794290631.db2.gz VWDXPOYVDVKHLD-QWRGUYRKSA-N 1 0 339.396 -2.141 20 0 EAADRO O=C(Nc1ncc(Br)[nH]c1=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220398795 794290731 /nfs/dbraw/zinc/29/07/31/794290731.db2.gz MUAKRWFDEBNHOP-LURJTMIESA-N 1 0 344.169 -1.199 20 0 EAADRO O=C(Nc1ncc(Br)[nH]c1=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220398796 794290655 /nfs/dbraw/zinc/29/06/55/794290655.db2.gz MUAKRWFDEBNHOP-ZCFIWIBFSA-N 1 0 344.169 -1.199 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403476 794291106 /nfs/dbraw/zinc/29/11/06/794291106.db2.gz SGWZJEHAYUTEMT-CYBMUJFWSA-N 1 0 340.405 -1.306 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403477 794290536 /nfs/dbraw/zinc/29/05/36/794290536.db2.gz SGWZJEHAYUTEMT-ZDUSSCGKSA-N 1 0 340.405 -1.306 20 0 EAADRO CCOC(=O)c1cccc(CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)n1 ZINC001220403675 794290142 /nfs/dbraw/zinc/29/01/42/794290142.db2.gz ZYWKLLSBXUQJHO-ONGXEEELSA-N 1 0 338.364 -1.301 20 0 EAADRO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001220405521 794290214 /nfs/dbraw/zinc/29/02/14/794290214.db2.gz AJDLIZWFEDARBF-JLIMGVALSA-N 1 0 328.369 -1.848 20 0 EAADRO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001220405522 794290881 /nfs/dbraw/zinc/29/08/81/794290881.db2.gz AJDLIZWFEDARBF-JXUBOQSCSA-N 1 0 328.369 -1.848 20 0 EAADRO COC(=O)[C@H]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001220405523 794290710 /nfs/dbraw/zinc/29/07/10/794290710.db2.gz AJDLIZWFEDARBF-QEYWKRMJSA-N 1 0 328.369 -1.848 20 0 EAADRO COC(=O)[C@H]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001220405524 794291399 /nfs/dbraw/zinc/29/13/99/794291399.db2.gz AJDLIZWFEDARBF-XKNYDFJKSA-N 1 0 328.369 -1.848 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220405571 794291573 /nfs/dbraw/zinc/29/15/73/794291573.db2.gz BBDTVOFOLIOFQN-LJUAHTATSA-N 1 0 347.375 -1.819 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220405572 794291587 /nfs/dbraw/zinc/29/15/87/794291587.db2.gz BBDTVOFOLIOFQN-QWRKXWFKSA-N 1 0 347.375 -1.819 20 0 EAADRO CCn1nc(C)cc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220416176 794292464 /nfs/dbraw/zinc/29/24/64/794292464.db2.gz LVMSRYXYVBQADW-BZPMIXESSA-N 1 0 326.397 -1.006 20 0 EAADRO CCn1nc(C)cc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220416177 794291432 /nfs/dbraw/zinc/29/14/32/794291432.db2.gz LVMSRYXYVBQADW-SCRDCRAPSA-N 1 0 326.397 -1.006 20 0 EAADRO C[Si](C)(C)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220419024 794291604 /nfs/dbraw/zinc/29/16/04/794291604.db2.gz ZBXXZPVALPNEQO-UHFFFAOYSA-N 1 0 331.449 -2.713 20 0 EAADRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c(=O)[nH]1 ZINC001220422087 794292373 /nfs/dbraw/zinc/29/23/73/794292373.db2.gz KLGRGRWTEOYPCQ-OLZOCXBDSA-N 1 0 325.365 -1.121 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](O)C1 ZINC001220422394 794292157 /nfs/dbraw/zinc/29/21/57/794292157.db2.gz YMTIGVBUDNAUDW-RTXFEEFZSA-N 1 0 325.365 -1.122 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](O)C1 ZINC001220422395 794292597 /nfs/dbraw/zinc/29/25/97/794292597.db2.gz YMTIGVBUDNAUDW-UHTWSYAYSA-N 1 0 325.365 -1.122 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424380 794292099 /nfs/dbraw/zinc/29/20/99/794292099.db2.gz DDIYJNNGSHSHIK-WDSKDSINSA-N 1 0 326.313 -2.868 20 0 EAADRO Cn1c(=O)cc(NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[nH]c1=O ZINC001220424528 794292624 /nfs/dbraw/zinc/29/26/24/794292624.db2.gz KGTCNOOEPBYLKS-QMMMGPOBSA-N 1 0 341.368 -1.317 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cc(=O)n(C)c(=O)[nH]2)COC1(C)C ZINC001220424596 794291496 /nfs/dbraw/zinc/29/14/96/794291496.db2.gz MHPPYQJUOYDMMA-YUMQZZPRSA-N 1 0 339.352 -1.265 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001220426218 794292113 /nfs/dbraw/zinc/29/21/13/794292113.db2.gz VXQYNDDXNLASTC-MCIONIFRSA-N 1 0 342.396 -1.863 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001220426219 794292250 /nfs/dbraw/zinc/29/22/50/794292250.db2.gz VXQYNDDXNLASTC-MJBXVCDLSA-N 1 0 342.396 -1.863 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001220426279 794291877 /nfs/dbraw/zinc/29/18/77/794291877.db2.gz YQRJWZLGCOOPDJ-KGLIPLIRSA-N 1 0 339.396 -1.734 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc2n[nH]nc2c1 ZINC001220426892 794292348 /nfs/dbraw/zinc/29/23/48/794292348.db2.gz SKQLPTCCMUMKDD-CPCISQLKSA-N 1 0 333.352 -1.719 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1ccc2n[nH]nc2c1 ZINC001220427030 794292543 /nfs/dbraw/zinc/29/25/43/794292543.db2.gz XJORDSYYBFTFOL-UHFFFAOYSA-N 1 0 326.382 -1.206 20 0 EAADRO CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427195 794292008 /nfs/dbraw/zinc/29/20/08/794292008.db2.gz ARKUTOUHGJACPL-TUAOUCFPSA-N 1 0 342.396 -1.438 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427245 794291836 /nfs/dbraw/zinc/29/18/36/794291836.db2.gz BWXNJLGBLYJKKF-AXFHLTTASA-N 1 0 328.369 -1.828 20 0 EAADRO COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427433 794291986 /nfs/dbraw/zinc/29/19/86/794291986.db2.gz HLXKXJQBTXODHS-TUAOUCFPSA-N 1 0 342.396 -1.438 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427447 794293812 /nfs/dbraw/zinc/29/38/12/794293812.db2.gz HUEAVCDMDNTGAF-TUAOUCFPSA-N 1 0 337.442 -1.490 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427450 794293595 /nfs/dbraw/zinc/29/35/95/794293595.db2.gz HUEAVCDMDNTGAF-UTUOFQBUSA-N 1 0 337.442 -1.490 20 0 EAADRO CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427492 794293620 /nfs/dbraw/zinc/29/36/20/794293620.db2.gz IRKZKSVAIVUXFW-TUAOUCFPSA-N 1 0 342.396 -1.439 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427506 794294084 /nfs/dbraw/zinc/29/40/84/794294084.db2.gz JCLSQJYMFUWXPE-AXFHLTTASA-N 1 0 328.369 -1.829 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220427597 794293281 /nfs/dbraw/zinc/29/32/81/794293281.db2.gz KZQXLURGWZTBFJ-RTXFEEFZSA-N 1 0 349.453 -1.488 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220427598 794293874 /nfs/dbraw/zinc/29/38/74/794293874.db2.gz KZQXLURGWZTBFJ-UHTWSYAYSA-N 1 0 349.453 -1.488 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427826 794293265 /nfs/dbraw/zinc/29/32/65/794293265.db2.gz PFBMQSMSLLQOSU-TUAOUCFPSA-N 1 0 337.442 -1.488 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427827 794293901 /nfs/dbraw/zinc/29/39/01/794293901.db2.gz PFBMQSMSLLQOSU-UTUOFQBUSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427850 794293708 /nfs/dbraw/zinc/29/37/08/794293708.db2.gz PTLHLODSPKAMND-QEYWKRMJSA-N 1 0 330.341 -3.247 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427851 794293512 /nfs/dbraw/zinc/29/35/12/794293512.db2.gz PTLHLODSPKAMND-RGOKHQFPSA-N 1 0 330.341 -3.247 20 0 EAADRO 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ZINC001220541078 794314177 /nfs/dbraw/zinc/31/41/77/794314177.db2.gz SKUOKPRMKOUYBI-YUTCNCBUSA-N 1 0 339.396 -1.214 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)CC1 ZINC001220542698 794313652 /nfs/dbraw/zinc/31/36/52/794313652.db2.gz MVHDFKXTXUMREA-OLZOCXBDSA-N 1 0 348.403 -1.427 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)CC1 ZINC001220544288 794314089 /nfs/dbraw/zinc/31/40/89/794314089.db2.gz ARAYJQDISRIENY-OLZOCXBDSA-N 1 0 335.408 -1.350 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001220544739 794315878 /nfs/dbraw/zinc/31/58/78/794315878.db2.gz YLFBHFJLUVMGGX-TUAOUCFPSA-N 1 0 348.407 -1.547 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001220544740 794315107 /nfs/dbraw/zinc/31/51/07/794315107.db2.gz YLFBHFJLUVMGGX-UTUOFQBUSA-N 1 0 348.407 -1.547 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001220547729 794315213 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327.425 -1.094 20 0 EAADRO O=C(CCN1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220553428 794316290 /nfs/dbraw/zinc/31/62/90/794316290.db2.gz JJJJGBINHZWBBD-ZNMIVQPWSA-N 1 0 327.425 -1.094 20 0 EAADRO O=C(CCN1CCOCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220553433 794317005 /nfs/dbraw/zinc/31/70/05/794317005.db2.gz JMIDUKOTYJKVME-KGLIPLIRSA-N 1 0 331.413 -2.121 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc2ccnn21 ZINC001220553704 794316591 /nfs/dbraw/zinc/31/65/91/794316591.db2.gz QRSCKDGKCUVFMG-CABZTGNLSA-N 1 0 332.364 -1.342 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553747 794316915 /nfs/dbraw/zinc/31/69/15/794316915.db2.gz RQPIPHCCNVJQCU-MCIONIFRSA-N 1 0 331.413 -2.123 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553750 794317366 /nfs/dbraw/zinc/31/73/66/794317366.db2.gz RQPIPHCCNVJQCU-MJBXVCDLSA-N 1 0 331.413 -2.123 20 0 EAADRO O=C(CCN1CCOCC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220553751 794316685 /nfs/dbraw/zinc/31/66/85/794316685.db2.gz RSCQWINDKZKFMW-CABCVRRESA-N 1 0 337.424 -1.233 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1O ZINC001220557834 794317551 /nfs/dbraw/zinc/31/75/51/794317551.db2.gz AOOXNOHYIIEQOB-MCIONIFRSA-N 1 0 342.440 -1.036 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1O ZINC001220557835 794316633 /nfs/dbraw/zinc/31/66/33/794316633.db2.gz AOOXNOHYIIEQOB-MJBXVCDLSA-N 1 0 342.440 -1.036 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220557966 794317298 /nfs/dbraw/zinc/31/72/98/794317298.db2.gz FCMDOAQOEBHDSY-TUAOUCFPSA-N 1 0 330.385 -2.436 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220557967 794316349 /nfs/dbraw/zinc/31/63/49/794316349.db2.gz FCMDOAQOEBHDSY-UTUOFQBUSA-N 1 0 330.385 -2.436 20 0 EAADRO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220558050 794319549 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Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)cn1 ZINC001220606015 794328600 /nfs/dbraw/zinc/32/86/00/794328600.db2.gz BWLWWOVNTGCVHC-OLZOCXBDSA-N 1 0 334.384 -1.799 20 0 EAADRO Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)n1 ZINC001220606037 794328788 /nfs/dbraw/zinc/32/87/88/794328788.db2.gz CMPZSCGCIBCDMQ-KGLIPLIRSA-N 1 0 348.411 -1.262 20 0 EAADRO CC(C)COCC[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606146 794329118 /nfs/dbraw/zinc/32/91/18/794329118.db2.gz HNXISBHXQVZFKP-OLZOCXBDSA-N 1 0 326.401 -1.103 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220606230 794328098 /nfs/dbraw/zinc/32/80/98/794328098.db2.gz LKOUOMXDRWBPIG-TUAOUCFPSA-N 1 0 347.383 -1.997 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220606231 794328508 /nfs/dbraw/zinc/32/85/08/794328508.db2.gz LKOUOMXDRWBPIG-UTUOFQBUSA-N 1 0 347.383 -1.997 20 0 EAADRO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606281 794328492 /nfs/dbraw/zinc/32/84/92/794328492.db2.gz NJHGSCIUHVYOPW-OLZOCXBDSA-N 1 0 334.384 -1.799 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001220606282 794329095 /nfs/dbraw/zinc/32/90/95/794329095.db2.gz NMOAGKWNLGTLSK-KFWWJZLASA-N 1 0 346.391 -1.042 20 0 EAADRO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)cn1 ZINC001220606528 794328671 /nfs/dbraw/zinc/32/86/71/794328671.db2.gz XDONPRGDJUWIRT-KGLIPLIRSA-N 1 0 348.411 -1.316 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)[C@@H](O)C1 ZINC001220612177 794329613 /nfs/dbraw/zinc/32/96/13/794329613.db2.gz MVKFGSCTPZQPEA-MCIONIFRSA-N 1 0 349.391 -1.250 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)[C@@H](O)C1 ZINC001220612178 794329807 /nfs/dbraw/zinc/32/98/07/794329807.db2.gz MVKFGSCTPZQPEA-MJBXVCDLSA-N 1 0 349.391 -1.250 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220612210 794330172 /nfs/dbraw/zinc/33/01/72/794330172.db2.gz OHJVQGCOPVPPML-JLLWLGSASA-N 1 0 326.353 -2.104 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220612211 794330370 /nfs/dbraw/zinc/33/03/70/794330370.db2.gz OHJVQGCOPVPPML-WCQGTBRESA-N 1 0 326.353 -2.104 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2ccncc2)[C@@H](O)C1 ZINC001220613702 794330198 /nfs/dbraw/zinc/33/01/98/794330198.db2.gz YZQVOBRZSOEWNH-KFWWJZLASA-N 1 0 339.392 -1.233 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2ccncc2)[C@@H](O)C1 ZINC001220613705 794330124 /nfs/dbraw/zinc/33/01/24/794330124.db2.gz YZQVOBRZSOEWNH-ZNMIVQPWSA-N 1 0 339.392 -1.233 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220619974 794330675 /nfs/dbraw/zinc/33/06/75/794330675.db2.gz MXEJMHIVPCTRNS-JWYUURKGSA-N 1 0 333.348 -1.748 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220619977 794330239 /nfs/dbraw/zinc/33/02/39/794330239.db2.gz MXEJMHIVPCTRNS-VIRWGQHYSA-N 1 0 333.348 -1.748 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220620317 794330343 /nfs/dbraw/zinc/33/03/43/794330343.db2.gz RQCQMNMSBPTXPP-GFCCVEGCSA-N 1 0 326.378 -1.235 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220620318 794330092 /nfs/dbraw/zinc/33/00/92/794330092.db2.gz RQCQMNMSBPTXPP-LBPRGKRZSA-N 1 0 326.378 -1.235 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220621070 794330577 /nfs/dbraw/zinc/33/05/77/794330577.db2.gz VUGVMPFTLYGESR-BDAKNGLRSA-N 1 0 327.303 -1.137 20 0 EAADRO N[C@@H](C[NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622616 794329766 /nfs/dbraw/zinc/32/97/66/794329766.db2.gz RDNOPTSJRMFEEB-NSHDSACASA-N 1 0 327.410 -1.363 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1nn(C)c2ccccc12 ZINC001220634115 794331299 /nfs/dbraw/zinc/33/12/99/794331299.db2.gz IMWBGECEERXWOL-ONGXEEELSA-N 1 0 346.391 -1.103 20 0 EAADRO O=C(NCC(F)(F)F)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220634993 794331403 /nfs/dbraw/zinc/33/14/03/794331403.db2.gz DAGLXHALFKVUAA-AEJSXWLSSA-N 1 0 339.314 -1.137 20 0 EAADRO O=C(NCC(F)(F)F)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220634994 794331216 /nfs/dbraw/zinc/33/12/16/794331216.db2.gz DAGLXHALFKVUAA-BBBLOLIVSA-N 1 0 339.314 -1.137 20 0 EAADRO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220635297 794331615 /nfs/dbraw/zinc/33/16/15/794331615.db2.gz RWBQHNMALAIKHO-AEJSXWLSSA-N 1 0 341.330 -1.013 20 0 EAADRO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220635298 794331024 /nfs/dbraw/zinc/33/10/24/794331024.db2.gz RWBQHNMALAIKHO-BBBLOLIVSA-N 1 0 341.330 -1.013 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)CC1 ZINC001220637624 794333203 /nfs/dbraw/zinc/33/32/03/794333203.db2.gz JOKXVZULRFMKRT-CABCVRRESA-N 1 0 345.440 -1.733 20 0 EAADRO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637928 794332791 /nfs/dbraw/zinc/33/27/91/794332791.db2.gz NUXMFXOEGPDPSW-MCIONIFRSA-N 1 0 342.440 -1.478 20 0 EAADRO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637929 794332653 /nfs/dbraw/zinc/33/26/53/794332653.db2.gz NUXMFXOEGPDPSW-RDBSUJKOSA-N 1 0 342.440 -1.478 20 0 EAADRO C[C@H](C(N)=O)N1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638197 794332288 /nfs/dbraw/zinc/33/22/88/794332288.db2.gz WGEJXNKCMKIFLI-RTXFEEFZSA-N 1 0 328.413 -1.868 20 0 EAADRO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638201 794332370 /nfs/dbraw/zinc/33/23/70/794332370.db2.gz WGEJXNKCMKIFLI-UHTWSYAYSA-N 1 0 328.413 -1.868 20 0 EAADRO CCNC(=O)CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642468 794333507 /nfs/dbraw/zinc/33/35/07/794333507.db2.gz CETVJQSDZRBVMZ-KGLIPLIRSA-N 1 0 342.440 -1.605 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)CC1 ZINC001220642525 794332989 /nfs/dbraw/zinc/33/29/89/794332989.db2.gz FZMNADFOOUPOQW-KGLIPLIRSA-N 1 0 339.396 -1.158 20 0 EAADRO CN(C)C(=O)CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642720 794333338 /nfs/dbraw/zinc/33/33/38/794333338.db2.gz KBGMSLCXYBEQRD-KGLIPLIRSA-N 1 0 342.440 -1.653 20 0 EAADRO CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643288 794333400 /nfs/dbraw/zinc/33/34/00/794333400.db2.gz YYASDFAIABNGKS-BNOWGMLFSA-N 1 0 342.440 -1.607 20 0 EAADRO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643289 794333494 /nfs/dbraw/zinc/33/34/94/794333494.db2.gz YYASDFAIABNGKS-YUTCNCBUSA-N 1 0 342.440 -1.607 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220643310 794333448 /nfs/dbraw/zinc/33/34/48/794333448.db2.gz ZSBJLVYCKFYCNE-MCIONIFRSA-N 1 0 340.424 -1.853 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220643311 794332463 /nfs/dbraw/zinc/33/24/63/794332463.db2.gz ZSBJLVYCKFYCNE-RDBSUJKOSA-N 1 0 340.424 -1.853 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643318 794332380 /nfs/dbraw/zinc/33/23/80/794332380.db2.gz ZZMXJVJQWFBIFR-OLZOCXBDSA-N 1 0 328.413 -1.996 20 0 EAADRO O=C(CCn1cnccc1=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220644560 794333008 /nfs/dbraw/zinc/33/30/08/794333008.db2.gz UCOZTXJLGNOCFY-KGLIPLIRSA-N 1 0 346.391 -1.309 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn3nccc3nc2C)[C@@H](O)C1 ZINC001220646633 794332576 /nfs/dbraw/zinc/33/25/76/794332576.db2.gz GRRYQMPZCMIUOX-BNOWGMLFSA-N 1 0 349.391 -1.180 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn3nccc3nc2C)[C@@H](O)C1 ZINC001220646634 794332930 /nfs/dbraw/zinc/33/29/30/794332930.db2.gz GRRYQMPZCMIUOX-YUTCNCBUSA-N 1 0 349.391 -1.180 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](O)C1 ZINC001220647058 794334576 /nfs/dbraw/zinc/33/45/76/794334576.db2.gz WWWDUMGVUQWZFW-MCIONIFRSA-N 1 0 340.424 -1.134 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](O)C1 ZINC001220647059 794333881 /nfs/dbraw/zinc/33/38/81/794333881.db2.gz WWWDUMGVUQWZFW-MJBXVCDLSA-N 1 0 340.424 -1.134 20 0 EAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648419 794334318 /nfs/dbraw/zinc/33/43/18/794334318.db2.gz DSLNYNZCGQEQBA-LBPRGKRZSA-N 1 0 330.396 -1.205 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220651366 794333680 /nfs/dbraw/zinc/33/36/80/794333680.db2.gz BHXRHGLKZUCVQV-HLTSFMKQSA-N 1 0 327.303 -1.403 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220651367 794334007 /nfs/dbraw/zinc/33/40/07/794334007.db2.gz BHXRHGLKZUCVQV-YIZRAAEISA-N 1 0 327.303 -1.403 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220651533 794334714 /nfs/dbraw/zinc/33/47/14/794334714.db2.gz GMKZFFBXKWGZKB-BDAKNGLRSA-N 1 0 327.303 -1.137 20 0 EAADRO O=C(CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)NCC(F)(F)F ZINC001220651798 794333986 /nfs/dbraw/zinc/33/39/86/794333986.db2.gz LTWGCCJRHLPITC-BDAKNGLRSA-N 1 0 327.303 -1.401 20 0 EAADRO Cn1nccc1CN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653142 794334399 /nfs/dbraw/zinc/33/43/99/794334399.db2.gz BENQZYWMLFVHIY-KGLIPLIRSA-N 1 0 346.391 -1.272 20 0 EAADRO CCNC(=O)CN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653249 794334306 /nfs/dbraw/zinc/33/43/06/794334306.db2.gz FJUWIAGMCAFMFO-NEPJUHHUSA-N 1 0 337.380 -2.069 20 0 EAADRO O=C(CCn1cnccc1=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001220653322 794334489 /nfs/dbraw/zinc/33/44/89/794334489.db2.gz GQQIXDLPPNDFTM-OLZOCXBDSA-N 1 0 347.379 -1.914 20 0 EAADRO O=C(CCn1cnccc1=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220653414 794333929 /nfs/dbraw/zinc/33/39/29/794333929.db2.gz IHIASXGTYXZMTJ-AGIUHOORSA-N 1 0 349.391 -1.927 20 0 EAADRO O=C(CCn1cnccc1=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220653415 794334888 /nfs/dbraw/zinc/33/48/88/794334888.db2.gz IHIASXGTYXZMTJ-UPJWGTAASA-N 1 0 349.391 -1.927 20 0 EAADRO Cn1cncc1CN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653423 794333965 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ZINC001220660748 794335403 /nfs/dbraw/zinc/33/54/03/794335403.db2.gz AMGXJCTVHZCBRS-OLZOCXBDSA-N 1 0 341.412 -1.080 20 0 EAADRO CC[C@H](C[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1)OC ZINC001220660874 794335930 /nfs/dbraw/zinc/33/59/30/794335930.db2.gz DUCWGNMBJFFCBD-UPJWGTAASA-N 1 0 341.412 -1.082 20 0 EAADRO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1)OC ZINC001220660875 794336603 /nfs/dbraw/zinc/33/66/03/794336603.db2.gz DUCWGNMBJFFCBD-XQQFMLRXSA-N 1 0 341.412 -1.082 20 0 EAADRO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220661024 794336118 /nfs/dbraw/zinc/33/61/18/794336118.db2.gz QXSPIEBHEWFDIP-VLEAKVRGSA-N 1 0 342.396 -1.458 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661036 794336571 /nfs/dbraw/zinc/33/65/71/794336571.db2.gz ILOIWWZFQNOYPU-TUAOUCFPSA-N 1 0 343.384 -2.500 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661039 794335792 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340.771 -1.116 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661183 794335967 /nfs/dbraw/zinc/33/59/67/794335967.db2.gz KREOTLVYUPUOCE-NEPJUHHUSA-N 1 0 327.385 -1.471 20 0 EAADRO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661216 794335754 /nfs/dbraw/zinc/33/57/54/794335754.db2.gz MAQKVWIUMDIFRH-UPJWGTAASA-N 1 0 341.412 -1.346 20 0 EAADRO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661217 794336157 /nfs/dbraw/zinc/33/61/57/794336157.db2.gz MAQKVWIUMDIFRH-XQQFMLRXSA-N 1 0 341.412 -1.346 20 0 EAADRO Cn1cnnc1COCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220661269 794335351 /nfs/dbraw/zinc/33/53/51/794335351.db2.gz NJRVSWDDSSOXBO-UPJWGTAASA-N 1 0 339.396 -1.471 20 0 EAADRO Cn1cnnc1COCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220661270 794337565 /nfs/dbraw/zinc/33/75/65/794337565.db2.gz NJRVSWDDSSOXBO-XQQFMLRXSA-N 1 0 339.396 -1.471 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661285 794337392 /nfs/dbraw/zinc/33/73/92/794337392.db2.gz NWMJOPFYCFQMDE-NEPJUHHUSA-N 1 0 327.385 -1.471 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661471 794337651 /nfs/dbraw/zinc/33/76/51/794337651.db2.gz TUWAMUVAKZXABQ-OLZOCXBDSA-N 1 0 341.412 -1.080 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661487 794337864 /nfs/dbraw/zinc/33/78/64/794337864.db2.gz VHWWPARQYNLOGK-OLZOCXBDSA-N 1 0 341.412 -1.082 20 0 EAADRO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661500 794338082 /nfs/dbraw/zinc/33/80/82/794338082.db2.gz VXKBRLKKGWFEIC-TUAOUCFPSA-N 1 0 327.385 -1.472 20 0 EAADRO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661501 794337271 /nfs/dbraw/zinc/33/72/71/794337271.db2.gz VXKBRLKKGWFEIC-UTUOFQBUSA-N 1 0 327.385 -1.472 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661543 794337294 /nfs/dbraw/zinc/33/72/94/794337294.db2.gz YDHUOICUSGVZFC-TUAOUCFPSA-N 1 0 343.384 -2.500 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661544 794337224 /nfs/dbraw/zinc/33/72/24/794337224.db2.gz YDHUOICUSGVZFC-UTUOFQBUSA-N 1 0 343.384 -2.500 20 0 EAADRO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661558 794337371 /nfs/dbraw/zinc/33/73/71/794337371.db2.gz ZANUVSJPZBAWSU-TUAOUCFPSA-N 1 0 327.385 -1.472 20 0 EAADRO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661559 794337705 /nfs/dbraw/zinc/33/77/05/794337705.db2.gz ZANUVSJPZBAWSU-UTUOFQBUSA-N 1 0 327.385 -1.472 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661721 794337973 /nfs/dbraw/zinc/33/79/73/794337973.db2.gz AOCFEBNEPIPYQS-OLZOCXBDSA-N 1 0 341.412 -1.080 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661857 794337248 /nfs/dbraw/zinc/33/72/48/794337248.db2.gz CPAGVYABNOMMRU-OLZOCXBDSA-N 1 0 341.412 -1.082 20 0 EAADRO 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EAADRO CCc1noc(COCC(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)n1 ZINC001220732532 794348766 /nfs/dbraw/zinc/34/87/66/794348766.db2.gz SUMONCSFSMCCIV-MNOVXSKESA-N 1 0 328.369 -1.044 20 0 EAADRO CCn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)cn1 ZINC001220732606 794349313 /nfs/dbraw/zinc/34/93/13/794349313.db2.gz XGGDGVABBZZFTG-MCIONIFRSA-N 1 0 326.397 -1.386 20 0 EAADRO CCn1cc(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)cn1 ZINC001220732607 794349200 /nfs/dbraw/zinc/34/92/00/794349200.db2.gz XGGDGVABBZZFTG-MJBXVCDLSA-N 1 0 326.397 -1.386 20 0 EAADRO CCc1noc(COCC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)n1 ZINC001220732638 794348306 /nfs/dbraw/zinc/34/83/06/794348306.db2.gz YTQFSXNCRSRKRV-MNOVXSKESA-N 1 0 328.369 -1.308 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220733608 794349292 /nfs/dbraw/zinc/34/92/92/794349292.db2.gz FAAUCLMOPNCFTI-MXWKQRLJSA-N 1 0 341.372 -3.279 20 0 EAADRO CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001220733679 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EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 ZINC001220749931 794351327 /nfs/dbraw/zinc/35/13/27/794351327.db2.gz CCUDHJJHGXDZGG-GDLCADMTSA-N 1 0 338.408 -1.309 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 ZINC001220749932 794350962 /nfs/dbraw/zinc/35/09/62/794350962.db2.gz CCUDHJJHGXDZGG-HONMWMINSA-N 1 0 338.408 -1.309 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750174 794349942 /nfs/dbraw/zinc/34/99/42/794349942.db2.gz OOTZUFPGTBUEEO-AXFHLTTASA-N 1 0 344.368 -2.951 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750175 794350124 /nfs/dbraw/zinc/35/01/24/794350124.db2.gz OOTZUFPGTBUEEO-MXWKQRLJSA-N 1 0 344.368 -2.951 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750288 794351193 /nfs/dbraw/zinc/35/11/93/794351193.db2.gz SWGLWHLAEJDVGP-MNOVXSKESA-N 1 0 328.369 -1.922 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](O)C1 ZINC001220752505 794349884 /nfs/dbraw/zinc/34/98/84/794349884.db2.gz BVDPWQSJPNZSPB-BDAKNGLRSA-N 1 0 342.352 -1.292 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752512 794350729 /nfs/dbraw/zinc/35/07/29/794350729.db2.gz CBALVLIZGZFXPC-NEPJUHHUSA-N 1 0 342.396 -1.533 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752642 794352453 /nfs/dbraw/zinc/35/24/53/794352453.db2.gz JFYDHFRUIHESKK-NEPJUHHUSA-N 1 0 342.396 -1.532 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001220752749 794353651 /nfs/dbraw/zinc/35/36/51/794353651.db2.gz NRRVDYOOTRNFSV-MNOVXSKESA-N 1 0 336.352 -1.771 20 0 EAADRO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752772 794353100 /nfs/dbraw/zinc/35/31/00/794353100.db2.gz OSPQWDNZTVEEBQ-TUAOUCFPSA-N 1 0 342.396 -1.797 20 0 EAADRO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752773 794352406 /nfs/dbraw/zinc/35/24/06/794352406.db2.gz OSPQWDNZTVEEBQ-UTUOFQBUSA-N 1 0 342.396 -1.797 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](O)C1 ZINC001220752791 794352723 /nfs/dbraw/zinc/35/27/23/794352723.db2.gz PKGVYYAUMAMYKE-BDAKNGLRSA-N 1 0 342.352 -1.292 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752932 794352970 /nfs/dbraw/zinc/35/29/70/794352970.db2.gz VTIRTOKEENJRMI-MNOVXSKESA-N 1 0 328.369 -1.922 20 0 EAADRO CCOCCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752944 794352616 /nfs/dbraw/zinc/35/26/16/794352616.db2.gz WGCNBSRKLLOTSX-NEPJUHHUSA-N 1 0 342.396 -1.532 20 0 EAADRO C[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)N1CCCC1=O ZINC001220754586 794351981 /nfs/dbraw/zinc/35/19/81/794351981.db2.gz ZEGNBOOULGXWPT-MCIONIFRSA-N 1 0 343.424 -1.442 20 0 EAADRO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)N1CCCC1=O ZINC001220754587 794353689 /nfs/dbraw/zinc/35/36/89/794353689.db2.gz ZEGNBOOULGXWPT-MJBXVCDLSA-N 1 0 343.424 -1.442 20 0 EAADRO [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220754857 794352521 /nfs/dbraw/zinc/35/25/21/794352521.db2.gz RUTZVNMZCSCCSZ-GFCCVEGCSA-N 1 0 329.426 -1.484 20 0 EAADRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220754858 794352185 /nfs/dbraw/zinc/35/21/85/794352185.db2.gz RUTZVNMZCSCCSZ-LBPRGKRZSA-N 1 0 329.426 -1.484 20 0 EAADRO CCOCCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220755117 794352424 /nfs/dbraw/zinc/35/24/24/794352424.db2.gz CJTWEBLZLYOCDE-KFWWJZLASA-N 1 0 348.440 -1.012 20 0 EAADRO CCOCCOCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220755118 794351829 /nfs/dbraw/zinc/35/18/29/794351829.db2.gz CJTWEBLZLYOCDE-ZNMIVQPWSA-N 1 0 348.440 -1.012 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755169 794352259 /nfs/dbraw/zinc/35/22/59/794352259.db2.gz FOKXLJLVANLLTC-UPJWGTAASA-N 1 0 348.469 -1.961 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755170 794352485 /nfs/dbraw/zinc/35/24/85/794352485.db2.gz FOKXLJLVANLLTC-XQQFMLRXSA-N 1 0 348.469 -1.961 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)C1 ZINC001220755323 794351721 /nfs/dbraw/zinc/35/17/21/794351721.db2.gz LOITUMUBVWWZJH-AXFHLTTASA-N 1 0 327.385 -2.316 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)C1 ZINC001220755324 794351936 /nfs/dbraw/zinc/35/19/36/794351936.db2.gz LOITUMUBVWWZJH-MXWKQRLJSA-N 1 0 327.385 -2.316 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755342 794353736 /nfs/dbraw/zinc/35/37/36/794353736.db2.gz MEZCZYVHCOSURC-MCIONIFRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755343 794353405 /nfs/dbraw/zinc/35/34/05/794353405.db2.gz MEZCZYVHCOSURC-MJBXVCDLSA-N 1 0 347.481 -1.076 20 0 EAADRO CCOCCOCCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220755851 794352315 /nfs/dbraw/zinc/35/23/15/794352315.db2.gz YKDPVAYYQJISPF-CABCVRRESA-N 1 0 348.440 -1.010 20 0 EAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756319 794352548 /nfs/dbraw/zinc/35/25/48/794352548.db2.gz AYWLSXSPWSPYPT-LLVKDONJSA-N 1 0 349.457 -2.001 20 0 EAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756331 794351811 /nfs/dbraw/zinc/35/18/11/794351811.db2.gz BEXKPMDHFALHOL-PRWKNARSSA-N 1 0 339.483 -1.681 20 0 EAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756332 794353497 /nfs/dbraw/zinc/35/34/97/794353497.db2.gz BEXKPMDHFALHOL-YBTHPKLGSA-N 1 0 339.483 -1.681 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220756573 794353080 /nfs/dbraw/zinc/35/30/80/794353080.db2.gz FTOHLIMBDONGQN-RWMBFGLXSA-N 1 0 330.454 -1.827 20 0 EAADRO NC(=[NH2+])NCCCCC(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756802 794352172 /nfs/dbraw/zinc/35/21/72/794352172.db2.gz KPRKUHHIWMCRJP-UHFFFAOYSA-N 1 0 333.458 -1.124 20 0 EAADRO O=C(CNC1CC[NH2+]CC1)NCCCN1CCS(=O)(=O)CC1 ZINC001220756878 794353259 /nfs/dbraw/zinc/35/32/59/794353259.db2.gz MUACERMZFRBAKX-UHFFFAOYSA-N 1 0 332.470 -1.435 20 0 EAADRO Cn1cncc1C[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756939 794351910 /nfs/dbraw/zinc/35/19/10/794351910.db2.gz OMDUBNRUHHDHPM-ZDUSSCGKSA-N 1 0 343.453 -1.473 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220757067 794351776 /nfs/dbraw/zinc/35/17/76/794351776.db2.gz RZKYTFMCIWBFIA-MELADBBJSA-N 1 0 345.465 -1.010 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220757159 794351794 /nfs/dbraw/zinc/35/17/94/794351794.db2.gz WBCAOOBYQPMLGB-GXTWGEPZSA-N 1 0 330.454 -1.825 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220757160 794351862 /nfs/dbraw/zinc/35/18/62/794351862.db2.gz WBCAOOBYQPMLGB-JSGCOSHPSA-N 1 0 330.454 -1.825 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220757161 794352471 /nfs/dbraw/zinc/35/24/71/794352471.db2.gz WBCAOOBYQPMLGB-OCCSQVGLSA-N 1 0 330.454 -1.825 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220757162 794351757 /nfs/dbraw/zinc/35/17/57/794351757.db2.gz WBCAOOBYQPMLGB-TZMCWYRMSA-N 1 0 330.454 -1.825 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220757207 794353420 /nfs/dbraw/zinc/35/34/20/794353420.db2.gz XCCQPSXBDLFVQY-GFCCVEGCSA-N 1 0 346.453 -2.447 20 0 EAADRO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220757208 794352814 /nfs/dbraw/zinc/35/28/14/794352814.db2.gz XCCQPSXBDLFVQY-LBPRGKRZSA-N 1 0 346.453 -2.447 20 0 EAADRO CC(C)(C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O)c1c[nH]cn1 ZINC001220757500 794351875 /nfs/dbraw/zinc/35/18/75/794351875.db2.gz IWIVMJLQYWLZLZ-NEPJUHHUSA-N 1 0 326.397 -1.143 20 0 EAADRO CC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220758922 794354036 /nfs/dbraw/zinc/35/40/36/794354036.db2.gz NAHCPAQTNNDKCX-ONGXEEELSA-N 1 0 329.401 -1.884 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCC1CCC(O)CC1 ZINC001220759119 794353965 /nfs/dbraw/zinc/35/39/65/794353965.db2.gz PKULZVHSRVJFFB-XKGSQUFQSA-N 1 0 328.413 -1.249 20 0 EAADRO CCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764137 794355700 /nfs/dbraw/zinc/35/57/00/794355700.db2.gz AJHNKOJDJKRXLD-MCIONIFRSA-N 1 0 344.456 -1.359 20 0 EAADRO CCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764138 794354355 /nfs/dbraw/zinc/35/43/55/794354355.db2.gz AJHNKOJDJKRXLD-MJBXVCDLSA-N 1 0 344.456 -1.359 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001220764336 794355156 /nfs/dbraw/zinc/35/51/56/794355156.db2.gz HRMDOFYYTXMXJY-OLZOCXBDSA-N 1 0 326.401 -1.982 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764338 794354622 /nfs/dbraw/zinc/35/46/22/794354622.db2.gz HSPWLXXROBYMLR-TUAOUCFPSA-N 1 0 341.412 -2.055 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764339 794355084 /nfs/dbraw/zinc/35/50/84/794355084.db2.gz HSPWLXXROBYMLR-UTUOFQBUSA-N 1 0 341.412 -2.055 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764416 794354990 /nfs/dbraw/zinc/35/49/90/794354990.db2.gz KJWDMLPZSJTBEB-AXFHLTTASA-N 1 0 345.400 -2.691 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764417 794355050 /nfs/dbraw/zinc/35/50/50/794355050.db2.gz KJWDMLPZSJTBEB-MXWKQRLJSA-N 1 0 345.400 -2.691 20 0 EAADRO C[C@H](C(=O)N(C)C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764459 794354776 /nfs/dbraw/zinc/35/47/76/794354776.db2.gz LYTBVCJHRIJMSS-UPJWGTAASA-N 1 0 330.429 -1.797 20 0 EAADRO C[C@@H](C(=O)N(C)C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764460 794354118 /nfs/dbraw/zinc/35/41/18/794354118.db2.gz LYTBVCJHRIJMSS-XQQFMLRXSA-N 1 0 330.429 -1.797 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O ZINC001220764605 794354483 /nfs/dbraw/zinc/35/44/83/794354483.db2.gz QAOMVJOEIYNPRY-KGLIPLIRSA-N 1 0 342.440 -1.652 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O ZINC001220764608 794354638 /nfs/dbraw/zinc/35/46/38/794354638.db2.gz QDNQSPVBMZCKOX-KGLIPLIRSA-N 1 0 342.440 -1.652 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764627 794355360 /nfs/dbraw/zinc/35/53/60/794355360.db2.gz QRGJLNUHRSSMMW-MCIONIFRSA-N 1 0 326.441 -1.032 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764628 794354239 /nfs/dbraw/zinc/35/42/39/794354239.db2.gz QRGJLNUHRSSMMW-MJBXVCDLSA-N 1 0 326.441 -1.032 20 0 EAADRO CN1CC[C@H](N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764647 794355724 /nfs/dbraw/zinc/35/57/24/794355724.db2.gz RFGVPKYFDVZCNC-AGIUHOORSA-N 1 0 328.413 -2.043 20 0 EAADRO CN1CC[C@@H](N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764648 794355128 /nfs/dbraw/zinc/35/51/28/794355128.db2.gz RFGVPKYFDVZCNC-UPJWGTAASA-N 1 0 328.413 -2.043 20 0 EAADRO CN(C(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220764665 794355024 /nfs/dbraw/zinc/35/50/24/794355024.db2.gz ROMJCDNOCKUVLB-KGLIPLIRSA-N 1 0 342.440 -1.653 20 0 EAADRO CCCC[C@H](C(N)=O)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764673 794355546 /nfs/dbraw/zinc/35/55/46/794355546.db2.gz SDSBOBMXLHVYRA-MCIONIFRSA-N 1 0 344.456 -1.230 20 0 EAADRO CCCC[C@@H](C(N)=O)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764674 794354710 /nfs/dbraw/zinc/35/47/10/794354710.db2.gz SDSBOBMXLHVYRA-RDBSUJKOSA-N 1 0 344.456 -1.230 20 0 EAADRO C[C@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764700 794354144 /nfs/dbraw/zinc/35/41/44/794354144.db2.gz SVEMMUKXIGILPN-BNOWGMLFSA-N 1 0 342.440 -1.607 20 0 EAADRO C[C@@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764701 794354765 /nfs/dbraw/zinc/35/47/65/794354765.db2.gz SVEMMUKXIGILPN-YUTCNCBUSA-N 1 0 342.440 -1.607 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O ZINC001220764815 794354946 /nfs/dbraw/zinc/35/49/46/794354946.db2.gz XNFINCLMJDWICC-KGLIPLIRSA-N 1 0 325.413 -1.377 20 0 EAADRO CCc1noc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220764831 794354220 /nfs/dbraw/zinc/35/42/20/794354220.db2.gz YIFNLKZRVUISTN-NEPJUHHUSA-N 1 0 341.412 -1.129 20 0 EAADRO CCc1nc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)no1 ZINC001220766696 794355179 /nfs/dbraw/zinc/35/51/79/794355179.db2.gz FKHBJMRDTBZKHT-NEPJUHHUSA-N 1 0 341.412 -1.129 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC001220766803 794354822 /nfs/dbraw/zinc/35/48/22/794354822.db2.gz XWRKQTHHILKWNN-BJDJZHNGSA-N 1 0 340.424 -1.284 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC001220766804 794355211 /nfs/dbraw/zinc/35/52/11/794355211.db2.gz XWRKQTHHILKWNN-FIQHERPVSA-N 1 0 340.424 -1.284 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC001220766805 794355752 /nfs/dbraw/zinc/35/57/52/794355752.db2.gz XWRKQTHHILKWNN-NNYUYHANSA-N 1 0 340.424 -1.284 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC001220766806 794355664 /nfs/dbraw/zinc/35/56/64/794355664.db2.gz XWRKQTHHILKWNN-YFKTTZPYSA-N 1 0 340.424 -1.284 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220766877 794354854 /nfs/dbraw/zinc/35/48/54/794354854.db2.gz JCOHDYFMEMEOMW-OLZOCXBDSA-N 1 0 330.429 -1.796 20 0 EAADRO Cn1ccnc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220766879 794354807 /nfs/dbraw/zinc/35/48/07/794354807.db2.gz JFEUARGIAYTNNL-OLZOCXBDSA-N 1 0 325.413 -1.340 20 0 EAADRO Cc1noc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220766949 794355064 /nfs/dbraw/zinc/35/50/64/794355064.db2.gz KPUMRBWLJJSDJT-NEPJUHHUSA-N 1 0 327.385 -1.382 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001220767042 794355619 /nfs/dbraw/zinc/35/56/19/794355619.db2.gz LIAMTCBMISQOPW-OLZOCXBDSA-N 1 0 328.413 -2.042 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220767257 794355605 /nfs/dbraw/zinc/35/56/05/794355605.db2.gz VSGOHZCLXTZEPT-OLZOCXBDSA-N 1 0 344.456 -1.359 20 0 EAADRO CC(C)NC(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768221 794353949 /nfs/dbraw/zinc/35/39/49/794353949.db2.gz AVYIHTRFSKSKTH-OLZOCXBDSA-N 1 0 330.429 -1.750 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O ZINC001220768224 794354345 /nfs/dbraw/zinc/35/43/45/794354345.db2.gz BFBGWJJIETVUHS-KGLIPLIRSA-N 1 0 342.440 -1.748 20 0 EAADRO CCn1ncc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768240 794354997 /nfs/dbraw/zinc/35/49/97/794354997.db2.gz BYGWZHFUMQQBGP-KGLIPLIRSA-N 1 0 340.428 -1.463 20 0 EAADRO CC(C)CNC(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768244 794354193 /nfs/dbraw/zinc/35/41/93/794354193.db2.gz CAETUTJYKMMRGH-KGLIPLIRSA-N 1 0 344.456 -1.502 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O ZINC001220768249 794355349 /nfs/dbraw/zinc/35/53/49/794355349.db2.gz CHCPTTOAKUTFFW-NEPJUHHUSA-N 1 0 329.426 -1.222 20 0 EAADRO C[C@H](c1nncn1C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768256 794354690 /nfs/dbraw/zinc/35/46/90/794354690.db2.gz CQSFNCDIBOEPAN-UPJWGTAASA-N 1 0 340.428 -1.384 20 0 EAADRO C[C@@H](c1nncn1C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768257 794355692 /nfs/dbraw/zinc/35/56/92/794355692.db2.gz CQSFNCDIBOEPAN-XQQFMLRXSA-N 1 0 340.428 -1.384 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768270 794354796 /nfs/dbraw/zinc/35/47/96/794354796.db2.gz DJVJKICOIBXGCK-MNOVXSKESA-N 1 0 345.400 -2.819 20 0 EAADRO Cn1nnnc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768286 794354444 /nfs/dbraw/zinc/35/44/44/794354444.db2.gz DZOBRVCRPOOWFX-MNOVXSKESA-N 1 0 327.389 -2.550 20 0 EAADRO Cn1cc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220768289 794355437 /nfs/dbraw/zinc/35/54/37/794355437.db2.gz FBXPLIZDNXBHTK-KGLIPLIRSA-N 1 0 325.413 -1.340 20 0 EAADRO CCN(CC)C(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768291 794354006 /nfs/dbraw/zinc/35/40/06/794354006.db2.gz FGGUAGDBXQYRIG-KGLIPLIRSA-N 1 0 344.456 -1.406 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001220768298 794355520 /nfs/dbraw/zinc/35/55/20/794355520.db2.gz FLPMTNPPVXZJSS-KGLIPLIRSA-N 1 0 342.440 -1.748 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O ZINC001220768307 794354794 /nfs/dbraw/zinc/35/47/94/794354794.db2.gz GABQSRBAGNMJCR-NEPJUHHUSA-N 1 0 337.442 -2.230 20 0 EAADRO Cn1[nH]c(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)nc1=O ZINC001220768310 794355233 /nfs/dbraw/zinc/35/52/33/794355233.db2.gz GCWNWWFRIUYKHI-MNOVXSKESA-N 1 0 342.400 -2.652 20 0 EAADRO Cn1nccc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768324 794355294 /nfs/dbraw/zinc/35/52/94/794355294.db2.gz HCUDDKJCXGVTPE-KGLIPLIRSA-N 1 0 325.413 -1.340 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O ZINC001220768342 794355488 /nfs/dbraw/zinc/35/54/88/794355488.db2.gz HUYUVBQPRIHARA-NEPJUHHUSA-N 1 0 329.426 -1.222 20 0 EAADRO COc1cc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)on1 ZINC001220768364 794354903 /nfs/dbraw/zinc/35/49/03/794354903.db2.gz IRRHDDUQLIJYJI-OLZOCXBDSA-N 1 0 342.396 -1.077 20 0 EAADRO CC[C@@H](C)NC(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768374 794354296 /nfs/dbraw/zinc/35/42/96/794354296.db2.gz JDPXXYAWDQSCRU-MCIONIFRSA-N 1 0 344.456 -1.359 20 0 EAADRO CC[C@H](C)NC(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768375 794354507 /nfs/dbraw/zinc/35/45/07/794354507.db2.gz JDPXXYAWDQSCRU-MJBXVCDLSA-N 1 0 344.456 -1.359 20 0 EAADRO CCn1nncc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768385 794354912 /nfs/dbraw/zinc/35/49/12/794354912.db2.gz JKNZYJCAXCSDKS-KGLIPLIRSA-N 1 0 340.428 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001220768391 794355934 /nfs/dbraw/zinc/35/59/34/794355934.db2.gz JOBQKIKMYHIRGN-OLZOCXBDSA-N 1 0 343.428 -2.249 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O ZINC001220768405 794356978 /nfs/dbraw/zinc/35/69/78/794356978.db2.gz KCAXXPPPKKZGNO-NEPJUHHUSA-N 1 0 329.426 -1.222 20 0 EAADRO Cn1cncc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768408 794355885 /nfs/dbraw/zinc/35/58/85/794355885.db2.gz KFAVMWQCVDUHIU-KGLIPLIRSA-N 1 0 325.413 -1.340 20 0 EAADRO Cn1ncnc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768419 794357538 /nfs/dbraw/zinc/35/75/38/794357538.db2.gz LAQJOFFSSUKEMB-NEPJUHHUSA-N 1 0 326.401 -1.945 20 0 EAADRO CCCNC(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768433 794356788 /nfs/dbraw/zinc/35/67/88/794356788.db2.gz LMXZMXCHARRITG-OLZOCXBDSA-N 1 0 330.429 -1.748 20 0 EAADRO Cn1ccc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768448 794357087 /nfs/dbraw/zinc/35/70/87/794357087.db2.gz MDSVQPVYXTUGAP-KGLIPLIRSA-N 1 0 325.413 -1.340 20 0 EAADRO Cc1nn(C)cc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768456 794356321 /nfs/dbraw/zinc/35/63/21/794356321.db2.gz MQOXMWZEIJMOCX-CABCVRRESA-N 1 0 339.440 -1.032 20 0 EAADRO CCn1ncnc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768458 794356964 /nfs/dbraw/zinc/35/69/64/794356964.db2.gz MXNRTIPQOWZHEH-OLZOCXBDSA-N 1 0 340.428 -1.463 20 0 EAADRO Cc1nnc([C@@H](C)N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)[nH]1 ZINC001220768468 794357642 /nfs/dbraw/zinc/35/76/42/794357642.db2.gz NJIICHSLKCSKRG-RTXFEEFZSA-N 1 0 340.428 -1.086 20 0 EAADRO Cc1nnc([C@H](C)N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)[nH]1 ZINC001220768469 794357263 /nfs/dbraw/zinc/35/72/63/794357263.db2.gz NJIICHSLKCSKRG-UHTWSYAYSA-N 1 0 340.428 -1.086 20 0 EAADRO CCn1cc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)nn1 ZINC001220768476 794356688 /nfs/dbraw/zinc/35/66/88/794356688.db2.gz NSSMVSDBEYULGG-KGLIPLIRSA-N 1 0 340.428 -1.463 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001220768485 794356604 /nfs/dbraw/zinc/35/66/04/794356604.db2.gz OBXAESBPQILEBH-OLZOCXBDSA-N 1 0 328.413 -1.996 20 0 EAADRO Cn1cnnc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768494 794356744 /nfs/dbraw/zinc/35/67/44/794356744.db2.gz OTLFAHSSYVFJHM-NEPJUHHUSA-N 1 0 326.401 -1.945 20 0 EAADRO Cn1cc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)nn1 ZINC001220768501 794357109 /nfs/dbraw/zinc/35/71/09/794357109.db2.gz OWSAYRRJEXDFQJ-OLZOCXBDSA-N 1 0 326.401 -1.945 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220768503 794356029 /nfs/dbraw/zinc/35/60/29/794356029.db2.gz OWUXDIVLTOWWDU-UTUOFQBUSA-N 1 0 342.396 -2.469 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220768504 794356392 /nfs/dbraw/zinc/35/63/92/794356392.db2.gz OWUXDIVLTOWWDU-WOPDTQHZSA-N 1 0 342.396 -2.469 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220768515 794355999 /nfs/dbraw/zinc/35/59/99/794355999.db2.gz PLUPBYADKKJLNC-AGIUHOORSA-N 1 0 328.413 -1.996 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220768516 794356753 /nfs/dbraw/zinc/35/67/53/794356753.db2.gz PLUPBYADKKJLNC-UPJWGTAASA-N 1 0 328.413 -1.996 20 0 EAADRO Cc1nonc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768524 794356383 /nfs/dbraw/zinc/35/63/83/794356383.db2.gz PWNMMIKZKJZZJC-OLZOCXBDSA-N 1 0 327.385 -1.382 20 0 EAADRO COCCOCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768528 794357276 /nfs/dbraw/zinc/35/72/76/794357276.db2.gz QDKCJPMQQJOLOT-KGLIPLIRSA-N 1 0 333.429 -1.611 20 0 EAADRO CCN1CC[C@@H](N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768587 794356845 /nfs/dbraw/zinc/35/68/45/794356845.db2.gz SLCTYMZPCJLZIH-MCIONIFRSA-N 1 0 342.440 -1.653 20 0 EAADRO CCN1CC[C@H](N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768588 794357113 /nfs/dbraw/zinc/35/71/13/794357113.db2.gz SLCTYMZPCJLZIH-RDBSUJKOSA-N 1 0 342.440 -1.653 20 0 EAADRO Cc1cc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)nn1C ZINC001220768594 794356421 /nfs/dbraw/zinc/35/64/21/794356421.db2.gz TUEMCABSSBIARL-CABCVRRESA-N 1 0 339.440 -1.032 20 0 EAADRO CN1CCC[C@@H](N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768597 794357062 /nfs/dbraw/zinc/35/70/62/794357062.db2.gz UDMBZCMIKPYMSU-MCIONIFRSA-N 1 0 342.440 -1.653 20 0 EAADRO CN1CCC[C@H](N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768598 794357243 /nfs/dbraw/zinc/35/72/43/794357243.db2.gz UDMBZCMIKPYMSU-RDBSUJKOSA-N 1 0 342.440 -1.653 20 0 EAADRO Cn1nnc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768599 794357638 /nfs/dbraw/zinc/35/76/38/794357638.db2.gz UIGMEPMCNWHSPL-MNOVXSKESA-N 1 0 327.389 -2.550 20 0 EAADRO Cn1ncc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768616 794355955 /nfs/dbraw/zinc/35/59/55/794355955.db2.gz VLHXTUSPZXMOEV-OLZOCXBDSA-N 1 0 326.401 -1.945 20 0 EAADRO CCCCNC(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768617 794355920 /nfs/dbraw/zinc/35/59/20/794355920.db2.gz VLWLLXZVZYOUKY-KGLIPLIRSA-N 1 0 344.456 -1.358 20 0 EAADRO Cc1nnc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)[nH]1 ZINC001220768622 794357034 /nfs/dbraw/zinc/35/70/34/794357034.db2.gz VNTGLKNKRXSUKO-NEPJUHHUSA-N 1 0 326.401 -1.647 20 0 EAADRO Cc1nnc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220768626 794355962 /nfs/dbraw/zinc/35/59/62/794355962.db2.gz VRNDIYCZQXNRPY-NEPJUHHUSA-N 1 0 327.385 -1.382 20 0 EAADRO CCc1nnc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220768627 794356308 /nfs/dbraw/zinc/35/63/08/794356308.db2.gz VVBYZIXTYYVRQK-NEPJUHHUSA-N 1 0 341.412 -1.129 20 0 EAADRO Cn1nncc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768641 794357529 /nfs/dbraw/zinc/35/75/29/794357529.db2.gz WNLWGWOUZPGGSC-OLZOCXBDSA-N 1 0 326.401 -1.945 20 0 EAADRO C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768669 794356293 /nfs/dbraw/zinc/35/62/93/794356293.db2.gz XVVCJROJNUTLHY-TUAOUCFPSA-N 1 0 341.416 -1.989 20 0 EAADRO C[C@H](c1nnnn1C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768670 794357386 /nfs/dbraw/zinc/35/73/86/794357386.db2.gz XVVCJROJNUTLHY-UTUOFQBUSA-N 1 0 341.416 -1.989 20 0 EAADRO CC(C)N(C)C(=O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768692 794357100 /nfs/dbraw/zinc/35/71/00/794357100.db2.gz YRDVSVSIWOARLF-KGLIPLIRSA-N 1 0 344.456 -1.407 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O ZINC001220768699 794357074 /nfs/dbraw/zinc/35/70/74/794357074.db2.gz YZFRSLZWJIQGJQ-MNOVXSKESA-N 1 0 329.426 -1.222 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220768713 794357189 /nfs/dbraw/zinc/35/71/89/794357189.db2.gz ZPPAMRNDPPWIOF-ZJUUUORDSA-N 1 0 331.373 -3.079 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220768897 794357548 /nfs/dbraw/zinc/35/75/48/794357548.db2.gz DNCZCMCSHCYZDI-NEPJUHHUSA-N 1 0 337.380 -2.049 20 0 EAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220768898 794357330 /nfs/dbraw/zinc/35/73/30/794357330.db2.gz DNCZCMCSHCYZDI-NWDGAFQWSA-N 1 0 337.380 -2.049 20 0 EAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220768899 794356239 /nfs/dbraw/zinc/35/62/39/794356239.db2.gz DNCZCMCSHCYZDI-RYUDHWBXSA-N 1 0 337.380 -2.049 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220768900 794356663 /nfs/dbraw/zinc/35/66/63/794356663.db2.gz DNCZCMCSHCYZDI-VXGBXAGGSA-N 1 0 337.380 -2.049 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220769468 794356159 /nfs/dbraw/zinc/35/61/59/794356159.db2.gz NFJLKBPJYJNKRQ-QWHCGFSZSA-N 1 0 334.380 -1.076 20 0 EAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220769469 794356797 /nfs/dbraw/zinc/35/67/97/794356797.db2.gz NFJLKBPJYJNKRQ-STQMWFEESA-N 1 0 334.380 -1.076 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220770021 794357616 /nfs/dbraw/zinc/35/76/16/794357616.db2.gz TYEWNYADBNVACT-GHMZBOCLSA-N 1 0 340.384 -1.604 20 0 EAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220770022 794357298 /nfs/dbraw/zinc/35/72/98/794357298.db2.gz TYEWNYADBNVACT-MNOVXSKESA-N 1 0 340.384 -1.604 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220770939 794356265 /nfs/dbraw/zinc/35/62/65/794356265.db2.gz BBWQJUDGVDMTIM-AXFHLTTASA-N 1 0 339.396 -2.173 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220770940 794357500 /nfs/dbraw/zinc/35/75/00/794357500.db2.gz BBWQJUDGVDMTIM-MXWKQRLJSA-N 1 0 339.396 -2.173 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220770980 794357322 /nfs/dbraw/zinc/35/73/22/794357322.db2.gz CLJZTHXOQOSBQD-MNOVXSKESA-N 1 0 339.396 -2.301 20 0 EAADRO O=C(CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)NCC1CC1 ZINC001220770983 794356224 /nfs/dbraw/zinc/35/62/24/794356224.db2.gz CQVLYDHUMFBWKV-KGLIPLIRSA-N 1 0 336.436 -1.230 20 0 EAADRO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220771099 794356716 /nfs/dbraw/zinc/35/67/16/794356716.db2.gz FRJIBOHFRJWQRV-MNOVXSKESA-N 1 0 341.364 -1.420 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@@H](O)C1 ZINC001220771158 794355971 /nfs/dbraw/zinc/35/59/71/794355971.db2.gz GZCWQVDIKJSILZ-AXFHLTTASA-N 1 0 341.364 -1.422 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@@H](O)C1 ZINC001220771159 794356615 /nfs/dbraw/zinc/35/66/15/794356615.db2.gz GZCWQVDIKJSILZ-MXWKQRLJSA-N 1 0 341.364 -1.422 20 0 EAADRO CS(=O)(=O)NCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771225 794357423 /nfs/dbraw/zinc/35/74/23/794357423.db2.gz JHSAETTXMWBXTG-NEPJUHHUSA-N 1 0 346.453 -2.207 20 0 EAADRO O=C(NCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CC1 ZINC001220771318 794356899 /nfs/dbraw/zinc/35/68/99/794356899.db2.gz NOLNRPPDLMWMTQ-KGLIPLIRSA-N 1 0 336.436 -1.230 20 0 EAADRO CS(=O)(=O)CCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771337 794356303 /nfs/dbraw/zinc/35/63/03/794356303.db2.gz OKTKAWINQIHQKA-OLZOCXBDSA-N 1 0 345.465 -1.322 20 0 EAADRO NC(=O)NC(=O)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771356 794357434 /nfs/dbraw/zinc/35/74/34/794357434.db2.gz PWDJRMSRJQWGMH-ZJUUUORDSA-N 1 0 325.369 -2.562 20 0 EAADRO COCCOCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771427 794356056 /nfs/dbraw/zinc/35/60/56/794356056.db2.gz SHZCJQOEYYXJMK-KGLIPLIRSA-N 1 0 327.425 -1.094 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220771874 794356093 /nfs/dbraw/zinc/35/60/93/794356093.db2.gz FKBWKCNVBNFOTK-NEPJUHHUSA-N 1 0 337.380 -1.430 20 0 EAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220771878 794356986 /nfs/dbraw/zinc/35/69/86/794356986.db2.gz FKBWKCNVBNFOTK-RYUDHWBXSA-N 1 0 337.380 -1.430 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220772238 794356875 /nfs/dbraw/zinc/35/68/75/794356875.db2.gz LQQSSIFKVSJXFT-INTQDDNPSA-N 1 0 341.368 -2.555 20 0 EAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220772239 794356428 /nfs/dbraw/zinc/35/64/28/794356428.db2.gz LQQSSIFKVSJXFT-LSJOCFKGSA-N 1 0 341.368 -2.555 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220772434 794357133 /nfs/dbraw/zinc/35/71/33/794357133.db2.gz ROAWEPIWVMDTNJ-HIFRSBDPSA-N 1 0 338.408 -1.069 20 0 EAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220772957 794356356 /nfs/dbraw/zinc/35/63/56/794356356.db2.gz WXESMGWTLLZXMR-GANBNBROSA-N 1 0 330.410 -1.284 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220772958 794357043 /nfs/dbraw/zinc/35/70/43/794357043.db2.gz WXESMGWTLLZXMR-QWVJXAHUSA-N 1 0 330.410 -1.284 20 0 EAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220772959 794356563 /nfs/dbraw/zinc/35/65/63/794356563.db2.gz WXESMGWTLLZXMR-UTSGRSJNSA-N 1 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CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220780972 794358164 /nfs/dbraw/zinc/35/81/64/794358164.db2.gz QGOWGPZRIMABDN-GLQYFDAESA-N 1 0 326.397 -1.480 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC001220783401 794357877 /nfs/dbraw/zinc/35/78/77/794357877.db2.gz JVSPOYPVPJMDOG-RTXFEEFZSA-N 1 0 325.365 -1.833 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC001220783402 794359088 /nfs/dbraw/zinc/35/90/88/794359088.db2.gz JVSPOYPVPJMDOG-UHTWSYAYSA-N 1 0 325.365 -1.833 20 0 EAADRO Cn1cccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c1=O ZINC001220783439 794358625 /nfs/dbraw/zinc/35/86/25/794358625.db2.gz LPXNQEMYDRRZAL-OLZOCXBDSA-N 1 0 325.365 -1.831 20 0 EAADRO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC001220783719 794359559 /nfs/dbraw/zinc/35/95/59/794359559.db2.gz XSUHQZFFQYZFSF-KGLIPLIRSA-N 1 0 339.392 -1.177 20 0 EAADRO CN(C)C(=O)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220785244 794359469 /nfs/dbraw/zinc/35/94/69/794359469.db2.gz HNYBHBFHDCVTHI-OLZOCXBDSA-N 1 0 331.413 -1.585 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785587 794359038 /nfs/dbraw/zinc/35/90/38/794359038.db2.gz WRVNIARXPPENGV-UPJWGTAASA-N 1 0 331.413 -1.587 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785588 794358324 /nfs/dbraw/zinc/35/83/24/794358324.db2.gz WRVNIARXPPENGV-XQQFMLRXSA-N 1 0 331.413 -1.587 20 0 EAADRO CCCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220786825 794359733 /nfs/dbraw/zinc/35/97/33/794359733.db2.gz NPJOIAXCGSQVPZ-MCIONIFRSA-N 1 0 345.440 -1.149 20 0 EAADRO CCCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220786826 794358001 /nfs/dbraw/zinc/35/80/01/794358001.db2.gz NPJOIAXCGSQVPZ-MJBXVCDLSA-N 1 0 345.440 -1.149 20 0 EAADRO CCCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220787068 794358409 /nfs/dbraw/zinc/35/84/09/794358409.db2.gz UVUDSQCSRKWAQO-KGLIPLIRSA-N 1 0 345.440 -1.147 20 0 EAADRO CCCNC(=O)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220788798 794359968 /nfs/dbraw/zinc/35/99/68/794359968.db2.gz WMJOIOGNAAWQSA-UPJWGTAASA-N 1 0 331.413 -1.539 20 0 EAADRO CCCNC(=O)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220788800 794360710 /nfs/dbraw/zinc/36/07/10/794360710.db2.gz WMJOIOGNAAWQSA-XQQFMLRXSA-N 1 0 331.413 -1.539 20 0 EAADRO CCCNC(=O)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220788909 794360422 /nfs/dbraw/zinc/36/04/22/794360422.db2.gz ZKQYCHQLHACZOJ-OLZOCXBDSA-N 1 0 331.413 -1.537 20 0 EAADRO CCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220791677 794360644 /nfs/dbraw/zinc/36/06/44/794360644.db2.gz FFYRZMWEQOHSRA-UPJWGTAASA-N 1 0 331.413 -1.539 20 0 EAADRO CCNC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220791678 794361343 /nfs/dbraw/zinc/36/13/43/794361343.db2.gz FFYRZMWEQOHSRA-XQQFMLRXSA-N 1 0 331.413 -1.539 20 0 EAADRO 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ZINC001220798538 794362817 /nfs/dbraw/zinc/36/28/17/794362817.db2.gz AJQHGLPQUHHADN-UTUOFQBUSA-N 1 0 343.428 -1.537 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](O)C1 ZINC001220798882 794361757 /nfs/dbraw/zinc/36/17/57/794361757.db2.gz KHHTYBCDQLZFDW-CRWXNKLISA-N 1 0 329.397 -1.834 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](O)C1 ZINC001220798883 794362595 /nfs/dbraw/zinc/36/25/95/794362595.db2.gz KHHTYBCDQLZFDW-MQYQWHSLSA-N 1 0 329.397 -1.834 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220799205 794362553 /nfs/dbraw/zinc/36/25/53/794362553.db2.gz QMLRJQOZAYEIRD-MNOVXSKESA-N 1 0 329.401 -1.926 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220799319 794363072 /nfs/dbraw/zinc/36/30/72/794363072.db2.gz WPAYMVIAHIQIJR-XQQFMLRXSA-N 1 0 342.396 -2.421 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001220806437 794361874 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ZINC001220808382 794362849 /nfs/dbraw/zinc/36/28/49/794362849.db2.gz OJYLMGHCPRXGPC-IUCAKERBSA-N 1 0 335.355 -1.849 20 0 EAADRO COc1cc(CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cc(OC)c1O ZINC001220812121 794363588 /nfs/dbraw/zinc/36/35/88/794363588.db2.gz DETJIGXHNXRRDA-WPRPVWTQSA-N 1 0 341.364 -1.150 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)C1 ZINC001220812900 794364331 /nfs/dbraw/zinc/36/43/31/794364331.db2.gz SWIMJGSKGLWLLZ-BARDWOONSA-N 1 0 345.440 -1.294 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)C1 ZINC001220812901 794363896 /nfs/dbraw/zinc/36/38/96/794363896.db2.gz SWIMJGSKGLWLLZ-XQLPTFJDSA-N 1 0 345.440 -1.294 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)[C@@H](O)C1 ZINC001220814111 794364984 /nfs/dbraw/zinc/36/49/84/794364984.db2.gz SWIMJGSKGLWLLZ-TUVASFSCSA-N 1 0 345.440 -1.294 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)[C@@H](O)C1 ZINC001220814112 794364517 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CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@@H]1O ZINC001220817582 794365240 /nfs/dbraw/zinc/36/52/40/794365240.db2.gz YLHXAAVNJALHQC-KGLIPLIRSA-N 1 0 344.456 -1.358 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@@H]1O ZINC001220817588 794363279 /nfs/dbraw/zinc/36/32/79/794363279.db2.gz YOZFFEDUAJLFOO-KGLIPLIRSA-N 1 0 344.456 -1.358 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(O)cc1F ZINC001220821714 794365490 /nfs/dbraw/zinc/36/54/90/794365490.db2.gz OZUUDIDPUGQCHZ-CPCISQLKSA-N 1 0 326.328 -1.145 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821846 794365425 /nfs/dbraw/zinc/36/54/25/794365425.db2.gz IHMCAHUAOACFHK-AXFHLTTASA-N 1 0 329.401 -1.927 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821847 794364414 /nfs/dbraw/zinc/36/44/14/794364414.db2.gz IHMCAHUAOACFHK-MXWKQRLJSA-N 1 0 329.401 -1.927 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220822275 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325.417 -1.397 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)CCC1 ZINC001220824256 794363664 /nfs/dbraw/zinc/36/36/64/794363664.db2.gz RRRNVTJJPKNBSN-TUAOUCFPSA-N 1 0 329.397 -1.929 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)CCC1 ZINC001220824257 794363712 /nfs/dbraw/zinc/36/37/12/794363712.db2.gz RRRNVTJJPKNBSN-UTUOFQBUSA-N 1 0 329.397 -1.929 20 0 EAADRO CCOC(=O)C1=C(NC(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)C[NH2+]C1 ZINC001220825509 794365061 /nfs/dbraw/zinc/36/50/61/794365061.db2.gz KABFLKTWBFYKIY-GFCCVEGCSA-N 1 0 335.364 -1.007 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC001220825674 794364194 /nfs/dbraw/zinc/36/41/94/794364194.db2.gz ANIDAMDWBIPROI-NEPJUHHUSA-N 1 0 340.428 -1.498 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826085 794365314 /nfs/dbraw/zinc/36/53/14/794365314.db2.gz LRTBOYUXNMRPTH-AGIUHOORSA-N 1 0 340.424 -1.315 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826086 794364545 /nfs/dbraw/zinc/36/45/45/794364545.db2.gz LRTBOYUXNMRPTH-UPJWGTAASA-N 1 0 340.424 -1.315 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001220826156 794365261 /nfs/dbraw/zinc/36/52/61/794365261.db2.gz PHJIOVOZROENCB-KGLIPLIRSA-N 1 0 341.456 -1.095 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001220826159 794365369 /nfs/dbraw/zinc/36/53/69/794365369.db2.gz PMQBTAGVMVBJNT-NEPJUHHUSA-N 1 0 325.417 -1.397 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O ZINC001220826254 794364917 /nfs/dbraw/zinc/36/49/17/794364917.db2.gz UPUJEKGCGRPDGV-OLZOCXBDSA-N 1 0 335.470 -1.076 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220826340 794366540 /nfs/dbraw/zinc/36/65/40/794366540.db2.gz YTQBPHDMLKVOQR-MNOVXSKESA-N 1 0 329.401 -1.926 20 0 EAADRO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@@H]1O ZINC001220826345 794366923 /nfs/dbraw/zinc/36/69/23/794366923.db2.gz YZPMJFWQFOFZSC-NEPJUHHUSA-N 1 0 343.428 -1.665 20 0 EAADRO CCOC(=O)C1=C(NC(=O)CC[C@H](NC(C)=O)C(=O)OC)C[NH2+]C1 ZINC001220827536 794367267 /nfs/dbraw/zinc/36/72/67/794367267.db2.gz REAGMBZDDQKFAH-NSHDSACASA-N 1 0 341.364 -1.019 20 0 EAADRO CCOC(=O)C1=C(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)C[NH2+]C1 ZINC001220828538 794366161 /nfs/dbraw/zinc/36/61/61/794366161.db2.gz QFAXVZKJJLTJQX-UHFFFAOYSA-N 1 0 326.284 -1.375 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220828624 794366603 /nfs/dbraw/zinc/36/66/03/794366603.db2.gz BYQNBEXKOKOJPV-MCIONIFRSA-N 1 0 347.481 -1.076 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220828626 794367629 /nfs/dbraw/zinc/36/76/29/794367629.db2.gz BYQNBEXKOKOJPV-MJBXVCDLSA-N 1 0 347.481 -1.076 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001220828861 794366418 /nfs/dbraw/zinc/36/64/18/794366418.db2.gz GBMJSKLRLMQPIF-OLZOCXBDSA-N 1 0 327.429 -1.485 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828887 794366688 /nfs/dbraw/zinc/36/66/88/794366688.db2.gz GZOZLFVLRVEADE-UTUOFQBUSA-N 1 0 326.397 -1.705 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828888 794367183 /nfs/dbraw/zinc/36/71/83/794367183.db2.gz GZOZLFVLRVEADE-WOPDTQHZSA-N 1 0 326.397 -1.705 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O ZINC001220829176 794365802 /nfs/dbraw/zinc/36/58/02/794365802.db2.gz LNUAXTGKXPOKJQ-TUAOUCFPSA-N 1 0 325.417 -1.226 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O ZINC001220829177 794367656 /nfs/dbraw/zinc/36/76/56/794367656.db2.gz LNUAXTGKXPOKJQ-UTUOFQBUSA-N 1 0 325.417 -1.226 20 0 EAADRO CCOC(=O)C1=C(NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C[NH2+]C1 ZINC001220829956 794365790 /nfs/dbraw/zinc/36/57/90/794365790.db2.gz HIZOGMDAXJIPLS-NSHDSACASA-N 1 0 342.352 -2.864 20 0 EAADRO CCOC(=O)C1=C(NC(=O)[C@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O)C[NH2+]C1 ZINC001220829983 794366078 /nfs/dbraw/zinc/36/60/78/794366078.db2.gz IOGSMYUXFUYACE-GAJNKVMBSA-N 1 0 325.365 -1.346 20 0 EAADRO CCOC(=O)C1=C(NC(=O)[C@@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O)C[NH2+]C1 ZINC001220829984 794366327 /nfs/dbraw/zinc/36/63/27/794366327.db2.gz IOGSMYUXFUYACE-JTRYMVSWSA-N 1 0 325.365 -1.346 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220830193 794366050 /nfs/dbraw/zinc/36/60/50/794366050.db2.gz QXCIUFUQEFQGQM-VIFPVBQESA-N 1 0 342.352 -1.487 20 0 EAADRO CCOC(=O)C1=C(NC(=O)CC[C@@H]2NC(=O)[C@H](C)NC2=O)C[NH2+]C1 ZINC001220830266 794366897 /nfs/dbraw/zinc/36/68/97/794366897.db2.gz UOHPBMCGSHDKTC-WPRPVWTQSA-N 1 0 338.364 -1.694 20 0 EAADRO CCOC(=O)C1=C(NC(=O)Cn2cnc3c2nc(N)[nH]c3=O)C[NH2+]C1 ZINC001220830273 794365908 /nfs/dbraw/zinc/36/59/08/794365908.db2.gz UXXYMMOIZHFECM-UHFFFAOYSA-N 1 0 347.335 -1.349 20 0 EAADRO CCOC(=O)C1=C(NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O)C[NH2+]C1 ZINC001220830437 794367353 /nfs/dbraw/zinc/36/73/53/794367353.db2.gz WWRPTIOTTXADIS-RKDXNWHRSA-N 1 0 341.364 -1.021 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220830568 794366485 /nfs/dbraw/zinc/36/64/85/794366485.db2.gz CCAPJFGWJMVOMY-NEPJUHHUSA-N 1 0 341.412 -1.959 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O ZINC001220830604 794366628 /nfs/dbraw/zinc/36/66/28/794366628.db2.gz DIJAENVGLGPXLM-OLZOCXBDSA-N 1 0 335.470 -1.076 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1O ZINC001220831174 794367023 /nfs/dbraw/zinc/36/70/23/794367023.db2.gz RLGNEDZYUGNYSJ-NEPJUHHUSA-N 1 0 336.458 -1.961 20 0 EAADRO CCOC(=O)C1=C(NC(=O)c2ncn3c2nnn(C)c3=O)C[NH2+]C1 ZINC001220836233 794366311 /nfs/dbraw/zinc/36/63/11/794366311.db2.gz CLMRMFOYDLWBMA-UHFFFAOYSA-N 1 0 333.308 -2.027 20 0 EAADRO CSCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C(N)=O ZINC001220840051 794366904 /nfs/dbraw/zinc/36/69/04/794366904.db2.gz GYSUBLJCCZKCOC-UWVGGRQHSA-N 1 0 348.469 -1.032 20 0 EAADRO CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001220840119 794366391 /nfs/dbraw/zinc/36/63/91/794366391.db2.gz IQCXCBVUDNXMNT-FXQIFTODSA-N 1 0 333.414 -2.583 20 0 EAADRO CSCC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C(N)=O ZINC001220840420 794366824 /nfs/dbraw/zinc/36/68/24/794366824.db2.gz MVRWYEHSNJRVFO-QMMMGPOBSA-N 1 0 326.444 -2.070 20 0 EAADRO COC(=O)c1cncc(CNC(=O)CN(CC[NH3+])S(C)(=O)=O)c1 ZINC001220843501 794366016 /nfs/dbraw/zinc/36/60/16/794366016.db2.gz WXTXPBRJBKYVIL-UHFFFAOYSA-N 1 0 344.393 -1.295 20 0 EAADRO O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220848391 794365741 /nfs/dbraw/zinc/36/57/41/794365741.db2.gz SPWYQLPAQWMLDD-MCIONIFRSA-N 1 0 343.424 -1.395 20 0 EAADRO O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220848392 794366259 /nfs/dbraw/zinc/36/62/59/794366259.db2.gz SPWYQLPAQWMLDD-MJBXVCDLSA-N 1 0 343.424 -1.395 20 0 EAADRO CCOC(=O)C1(NC(=O)Cn2cnc3c2nc(N)[nH]c3=O)C[NH2+]C1 ZINC001220851381 794368166 /nfs/dbraw/zinc/36/81/66/794368166.db2.gz UMXYDQHSSSLSGW-UHFFFAOYSA-N 1 0 335.324 -1.865 20 0 EAADRO Cc1nc[nH]c1CC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001220852800 794368503 /nfs/dbraw/zinc/36/85/03/794368503.db2.gz XSSJQFPRWXUPDI-KGLIPLIRSA-N 1 0 335.408 -1.052 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220854259 794368861 /nfs/dbraw/zinc/36/88/61/794368861.db2.gz VDEAJWCKUCINCN-DYEKYZERSA-N 1 0 349.453 -1.344 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220854260 794369949 /nfs/dbraw/zinc/36/99/49/794369949.db2.gz VDEAJWCKUCINCN-MBNYWOFBSA-N 1 0 349.453 -1.344 20 0 EAADRO O=C(N[C@@H]1CN(CCOCCO)C[C@@H]1O)[C@@H]1Cc2cccnc2C1 ZINC001220855467 794368475 /nfs/dbraw/zinc/36/84/75/794368475.db2.gz AANRWYSJRRHMNX-BMFZPTHFSA-N 1 0 335.404 -1.033 20 0 EAADRO O=C(N[C@@H]1CN(CCOCCO)C[C@@H]1O)[C@H]1Cc2cccnc2C1 ZINC001220855468 794368718 /nfs/dbraw/zinc/36/87/18/794368718.db2.gz AANRWYSJRRHMNX-IMJJTQAJSA-N 1 0 335.404 -1.033 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220857126 794370093 /nfs/dbraw/zinc/37/00/93/794370093.db2.gz JPSIDSWOQFSEEO-KKOKHZNYSA-N 1 0 332.401 -2.008 20 0 EAADRO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220857127 794370462 /nfs/dbraw/zinc/37/04/62/794370462.db2.gz JPSIDSWOQFSEEO-QCNOEVLYSA-N 1 0 332.401 -2.008 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H](O)C1 ZINC001220860563 794371437 /nfs/dbraw/zinc/37/14/37/794371437.db2.gz VWCOKRURLWGAGX-KYOSRNDESA-N 1 0 349.391 -1.250 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H](O)C1 ZINC001220860564 794371591 /nfs/dbraw/zinc/37/15/91/794371591.db2.gz VWCOKRURLWGAGX-LNSITVRQSA-N 1 0 349.391 -1.250 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862038 794371219 /nfs/dbraw/zinc/37/12/19/794371219.db2.gz MXADRKKKUSMXDG-JBLDHEPKSA-N 1 0 330.385 -1.647 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCO[C@H]1CCCCO1 ZINC001220862039 794371322 /nfs/dbraw/zinc/37/13/22/794371322.db2.gz MXADRKKKUSMXDG-NHCYSSNCSA-N 1 0 330.385 -1.647 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220862551 794370282 /nfs/dbraw/zinc/37/02/82/794370282.db2.gz HTYKQNSDAVDGND-NEPJUHHUSA-N 1 0 337.442 -1.750 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001220862789 794371658 /nfs/dbraw/zinc/37/16/58/794371658.db2.gz VMLJHTUHLVTZMZ-TUAOUCFPSA-N 1 0 337.442 -1.752 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220862790 794371254 /nfs/dbraw/zinc/37/12/54/794371254.db2.gz VMLJHTUHLVTZMZ-UTUOFQBUSA-N 1 0 337.442 -1.752 20 0 EAADRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001220862838 794370602 /nfs/dbraw/zinc/37/06/02/794370602.db2.gz YBKVFLIRDRZNMJ-NEPJUHHUSA-N 1 0 337.442 -1.486 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2cccnc2)[C@@H](O)C1 ZINC001220864506 794371235 /nfs/dbraw/zinc/37/12/35/794371235.db2.gz NYWUGHBKNVXLNY-KFWWJZLASA-N 1 0 339.392 -1.233 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCc2cccnc2)[C@@H](O)C1 ZINC001220864507 794371463 /nfs/dbraw/zinc/37/14/63/794371463.db2.gz NYWUGHBKNVXLNY-ZNMIVQPWSA-N 1 0 339.392 -1.233 20 0 EAADRO CC[C@H](COC)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220866352 794370491 /nfs/dbraw/zinc/37/04/91/794370491.db2.gz VXMIBHPGHHJBGV-TUAOUCFPSA-N 1 0 328.413 -1.018 20 0 EAADRO COC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H](O)c1ccccc1 ZINC001220866365 794370572 /nfs/dbraw/zinc/37/05/72/794370572.db2.gz WIWFPTQBTKAAGS-PYJNHQTQSA-N 1 0 339.392 -1.325 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)cn1 ZINC001220868050 794373616 /nfs/dbraw/zinc/37/36/16/794373616.db2.gz QDBXYLCMDJCSMK-MCIONIFRSA-N 1 0 342.396 -1.688 20 0 EAADRO COCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)cn1 ZINC001220868052 794372281 /nfs/dbraw/zinc/37/22/81/794372281.db2.gz 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O=C(NCCN1CCNCC1=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220872292 794373186 /nfs/dbraw/zinc/37/31/86/794373186.db2.gz SDIRFHAFZOVEQH-LBPRGKRZSA-N 1 0 347.423 -1.923 20 0 EAADRO O=C(NCCN1CCNCC1=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220872348 794373576 /nfs/dbraw/zinc/37/35/76/794373576.db2.gz VIVQZUYRGUVINP-LLVKDONJSA-N 1 0 348.411 -2.528 20 0 EAADRO O=C(NCCN1CCNCC1=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220872349 794373060 /nfs/dbraw/zinc/37/30/60/794373060.db2.gz VIVQZUYRGUVINP-NSHDSACASA-N 1 0 348.411 -2.528 20 0 EAADRO O=C(NCCN1CCNCC1=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220872570 794373167 /nfs/dbraw/zinc/37/31/67/794373167.db2.gz ZKAWMDZFXGXTLN-CYBMUJFWSA-N 1 0 346.435 -1.318 20 0 EAADRO O=C(NCCN1CCNCC1=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220872571 794373153 /nfs/dbraw/zinc/37/31/53/794373153.db2.gz ZKAWMDZFXGXTLN-ZDUSSCGKSA-N 1 0 346.435 -1.318 20 0 EAADRO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@@H](O)C1 ZINC001220873305 794372012 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JUSRQHUCSYMPTN-XQQFMLRXSA-N 1 0 349.453 -1.392 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220879265 794376461 /nfs/dbraw/zinc/37/64/61/794376461.db2.gz NQYAPTQYHMYTHF-UPJWGTAASA-N 1 0 349.453 -1.534 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220879266 794376194 /nfs/dbraw/zinc/37/61/94/794376194.db2.gz NQYAPTQYHMYTHF-XQQFMLRXSA-N 1 0 349.453 -1.534 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001220879317 794376050 /nfs/dbraw/zinc/37/60/50/794376050.db2.gz PSYUYXILSUBWGH-NEPJUHHUSA-N 1 0 327.385 -1.912 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001220879403 794376527 /nfs/dbraw/zinc/37/65/27/794376527.db2.gz RKNPOGFTKHGMMM-TUAOUCFPSA-N 1 0 343.384 -2.941 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001220879407 794376860 /nfs/dbraw/zinc/37/68/60/794376860.db2.gz RKNPOGFTKHGMMM-UTUOFQBUSA-N 1 0 343.384 -2.941 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001220879614 794377074 /nfs/dbraw/zinc/37/70/74/794377074.db2.gz WTOPAYVEYRVZPB-OLZOCXBDSA-N 1 0 341.412 -1.522 20 0 EAADRO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1)OC ZINC001220881649 794377251 /nfs/dbraw/zinc/37/72/51/794377251.db2.gz CXTHNWHTCKCKAM-TUAOUCFPSA-N 1 0 337.442 -1.536 20 0 EAADRO CC[C@H](C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1)OC ZINC001220881650 794376434 /nfs/dbraw/zinc/37/64/34/794376434.db2.gz CXTHNWHTCKCKAM-UTUOFQBUSA-N 1 0 337.442 -1.536 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220881793 794377435 /nfs/dbraw/zinc/37/74/35/794377435.db2.gz GSBPUQSDLZNVKN-UPJWGTAASA-N 1 0 349.453 -1.534 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220881794 794376237 /nfs/dbraw/zinc/37/62/37/794376237.db2.gz GSBPUQSDLZNVKN-XQQFMLRXSA-N 1 0 349.453 -1.534 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220882022 794376832 /nfs/dbraw/zinc/37/68/32/794376832.db2.gz LNPJGNQEJJPXPA-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220882351 794376740 /nfs/dbraw/zinc/37/67/40/794376740.db2.gz UDCHAJGAXQFCKH-TUAOUCFPSA-N 1 0 335.426 -1.924 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220882352 794376309 /nfs/dbraw/zinc/37/63/09/794376309.db2.gz UDCHAJGAXQFCKH-UTUOFQBUSA-N 1 0 335.426 -1.924 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220882377 794376026 /nfs/dbraw/zinc/37/60/26/794376026.db2.gz VOMXAONSZVSSEW-OLZOCXBDSA-N 1 0 349.453 -1.534 20 0 EAADRO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220882514 794377284 /nfs/dbraw/zinc/37/72/84/794377284.db2.gz XINAGNNPFJMJHJ-TUAOUCFPSA-N 1 0 337.442 -1.800 20 0 EAADRO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220882515 794376078 /nfs/dbraw/zinc/37/60/78/794376078.db2.gz XINAGNNPFJMJHJ-UTUOFQBUSA-N 1 0 337.442 -1.800 20 0 EAADRO CCOCCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220882547 794375852 /nfs/dbraw/zinc/37/58/52/794375852.db2.gz YZPRTAPFVBLOFE-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO Cn1cncc1CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220888835 794376652 /nfs/dbraw/zinc/37/66/52/794376652.db2.gz YIMXLGJFOILHIU-KGLIPLIRSA-N 1 0 326.397 -1.477 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001220888930 794375878 /nfs/dbraw/zinc/37/58/78/794375878.db2.gz ZEJSKHDRZIKHNR-MCIONIFRSA-N 1 0 326.397 -1.479 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001220888931 794376949 /nfs/dbraw/zinc/37/69/49/794376949.db2.gz ZEJSKHDRZIKHNR-MJBXVCDLSA-N 1 0 326.397 -1.479 20 0 EAADRO Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)s1 ZINC001220895672 794378479 /nfs/dbraw/zinc/37/84/79/794378479.db2.gz GZLWAODKDGYIPJ-MNOVXSKESA-N 1 0 327.406 -1.060 20 0 EAADRO COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1ccccn1 ZINC001220900543 794379131 /nfs/dbraw/zinc/37/91/31/794379131.db2.gz MLEKUAJLSDHDLT-JBLDHEPKSA-N 1 0 338.364 -1.374 20 0 EAADRO COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1ccccn1 ZINC001220900544 794378880 /nfs/dbraw/zinc/37/88/80/794378880.db2.gz MLEKUAJLSDHDLT-NHCYSSNCSA-N 1 0 338.364 -1.374 20 0 EAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902823 794379365 /nfs/dbraw/zinc/37/93/65/794379365.db2.gz BJTFMMAHVAZOGZ-SGIHWFKDSA-N 1 0 332.361 -2.218 20 0 EAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902824 794379163 /nfs/dbraw/zinc/37/91/63/794379163.db2.gz BJTFMMAHVAZOGZ-ZYUZMQFOSA-N 1 0 332.361 -2.218 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001220904275 794379011 /nfs/dbraw/zinc/37/90/11/794379011.db2.gz AQSRBLXXZKSVCQ-MNOVXSKESA-N 1 0 342.396 -1.485 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001220904472 794378596 /nfs/dbraw/zinc/37/85/96/794378596.db2.gz MGZPCKHFIPKZJR-MNOVXSKESA-N 1 0 342.396 -1.485 20 0 EAADRO O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220904473 794378116 /nfs/dbraw/zinc/37/81/16/794378116.db2.gz MIXHYOBAECJTLW-OLZOCXBDSA-N 1 0 325.340 -1.291 20 0 EAADRO O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220905288 794378757 /nfs/dbraw/zinc/37/87/57/794378757.db2.gz ISDHYWABBFAMKV-OLZOCXBDSA-N 1 0 325.340 -1.291 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 ZINC001220905738 794378805 /nfs/dbraw/zinc/37/88/05/794378805.db2.gz XHZXJLMFTCXLIW-TUAOUCFPSA-N 1 0 341.364 -1.822 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 ZINC001220905739 794377596 /nfs/dbraw/zinc/37/75/96/794377596.db2.gz XHZXJLMFTCXLIW-UTUOFQBUSA-N 1 0 341.364 -1.822 20 0 EAADRO CCC(=O)N1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001220907575 794379174 /nfs/dbraw/zinc/37/91/74/794379174.db2.gz YAHSYGXTVLVPNP-GUBZILKMSA-N 1 0 327.385 -2.179 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913411 794378394 /nfs/dbraw/zinc/37/83/94/794378394.db2.gz AUWIMAYZWROVHA-OLZOCXBDSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913447 794378451 /nfs/dbraw/zinc/37/84/51/794378451.db2.gz BSYJXWJIXNNZEI-MCIONIFRSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913448 794379374 /nfs/dbraw/zinc/37/93/74/794379374.db2.gz BSYJXWJIXNNZEI-MJBXVCDLSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913524 794377842 /nfs/dbraw/zinc/37/78/42/794377842.db2.gz GARAKBGOBQCITG-JLLWLGSASA-N 1 0 326.353 -2.438 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913525 794379421 /nfs/dbraw/zinc/37/94/21/794379421.db2.gz GARAKBGOBQCITG-WCQGTBRESA-N 1 0 326.353 -2.438 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913797 794377970 /nfs/dbraw/zinc/37/79/70/794377970.db2.gz MWNAIVLPVPTSDI-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913932 794380708 /nfs/dbraw/zinc/38/07/08/794380708.db2.gz VXFWMXHISXHASI-UPJWGTAASA-N 1 0 329.397 -1.833 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913933 794380865 /nfs/dbraw/zinc/38/08/65/794380865.db2.gz VXFWMXHISXHASI-XQQFMLRXSA-N 1 0 329.397 -1.833 20 0 EAADRO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913952 794380664 /nfs/dbraw/zinc/38/06/64/794380664.db2.gz WLNYCAXBYNQZFR-MCIONIFRSA-N 1 0 343.424 -1.178 20 0 EAADRO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913953 794379898 /nfs/dbraw/zinc/37/98/98/794379898.db2.gz WLNYCAXBYNQZFR-MJBXVCDLSA-N 1 0 343.424 -1.178 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@@H](O)C1 ZINC001220913988 794380837 /nfs/dbraw/zinc/38/08/37/794380837.db2.gz XVCDYEHKECFDMW-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO O=C(CCC(=O)N1CCOCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220914020 794381069 /nfs/dbraw/zinc/38/10/69/794381069.db2.gz YYSIHOQMXYSVPZ-OLZOCXBDSA-N 1 0 329.397 -1.831 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914947 794380433 /nfs/dbraw/zinc/38/04/33/794380433.db2.gz HNQOBKBEKNDMCI-UBHSHLNASA-N 1 0 335.408 -1.404 20 0 EAADRO O=C(CNC(=O)Cc1ccccc1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220915800 794380619 /nfs/dbraw/zinc/38/06/19/794380619.db2.gz PIWKUCKPTUESAV-CABCVRRESA-N 1 0 335.404 -1.111 20 0 EAADRO CC(=O)NCCCCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220915991 794380812 /nfs/dbraw/zinc/38/08/12/794380812.db2.gz WZEYIKBJWZWULM-CABCVRRESA-N 1 0 345.440 -1.147 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCCCNC(C)=O)[C@@H](O)C1 ZINC001220916001 794379814 /nfs/dbraw/zinc/37/98/14/794379814.db2.gz XHSIBMKXVOIKBJ-KFWWJZLASA-N 1 0 345.440 -1.149 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCCCNC(C)=O)[C@@H](O)C1 ZINC001220916002 794380219 /nfs/dbraw/zinc/38/02/19/794380219.db2.gz XHSIBMKXVOIKBJ-ZNMIVQPWSA-N 1 0 345.440 -1.149 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)Cc2ccccc2)[C@@H](O)C1 ZINC001220917957 794379931 /nfs/dbraw/zinc/37/99/31/794379931.db2.gz LXFNSULXGAGPBM-CFVMTHIKSA-N 1 0 335.404 -1.113 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)Cc2ccccc2)[C@@H](O)C1 ZINC001220917958 794381302 /nfs/dbraw/zinc/38/13/02/794381302.db2.gz LXFNSULXGAGPBM-YUELXQCFSA-N 1 0 335.404 -1.113 20 0 EAADRO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220920732 794381215 /nfs/dbraw/zinc/38/12/15/794381215.db2.gz LOWBXZAWQNABBQ-KGLIPLIRSA-N 1 0 345.403 -1.257 20 0 EAADRO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220920733 794381100 /nfs/dbraw/zinc/38/11/00/794381100.db2.gz LOWBXZAWQNABBQ-ZIAGYGMSSA-N 1 0 345.403 -1.257 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220921630 794379712 /nfs/dbraw/zinc/37/97/12/794379712.db2.gz LBBNDFMQFNUPHL-MCIONIFRSA-N 1 0 339.396 -1.365 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220921631 794379972 /nfs/dbraw/zinc/37/99/72/794379972.db2.gz LBBNDFMQFNUPHL-MJBXVCDLSA-N 1 0 339.396 -1.365 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220921703 794380312 /nfs/dbraw/zinc/38/03/12/794380312.db2.gz OSFOKGZJEGEQQY-KGLIPLIRSA-N 1 0 348.411 -1.099 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921822 794381355 /nfs/dbraw/zinc/38/13/55/794381355.db2.gz PWARVTCZZZSQKF-MCIONIFRSA-N 1 0 341.412 -1.527 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921823 794380742 /nfs/dbraw/zinc/38/07/42/794380742.db2.gz 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ZINC001220927289 794381806 /nfs/dbraw/zinc/38/18/06/794381806.db2.gz YPSICPLQXZRRNG-NEPJUHHUSA-N 1 0 342.396 -1.533 20 0 EAADRO COCCCCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220927318 794382596 /nfs/dbraw/zinc/38/25/96/794382596.db2.gz ZYGUAPWSTVOKSO-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO COCCCC[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001220931798 794381857 /nfs/dbraw/zinc/38/18/57/794381857.db2.gz IKAHNAWAUSWMTH-MNOVXSKESA-N 1 0 337.380 -1.223 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220932121 794383468 /nfs/dbraw/zinc/38/34/68/794383468.db2.gz OVGRHFQDDCPVSE-AXFHLTTASA-N 1 0 344.368 -2.855 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220932125 794382748 /nfs/dbraw/zinc/38/27/48/794382748.db2.gz OVGRHFQDDCPVSE-MXWKQRLJSA-N 1 0 344.368 -2.855 20 0 EAADRO CCOCCC[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001220932161 794382122 /nfs/dbraw/zinc/38/21/22/794382122.db2.gz 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794384334 /nfs/dbraw/zinc/38/43/34/794384334.db2.gz JOHWMMUWGAPCID-NEPJUHHUSA-N 1 0 337.380 -1.895 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220935531 794384044 /nfs/dbraw/zinc/38/40/44/794384044.db2.gz JWINDJDCBPBUQJ-TUAOUCFPSA-N 1 0 340.384 -2.536 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220935532 794385126 /nfs/dbraw/zinc/38/51/26/794385126.db2.gz JWINDJDCBPBUQJ-UTUOFQBUSA-N 1 0 340.384 -2.536 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220935749 794387043 /nfs/dbraw/zinc/38/70/43/794387043.db2.gz UBUBUQFWCUQDNZ-UPJWGTAASA-N 1 0 344.412 -1.598 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220935750 794387123 /nfs/dbraw/zinc/38/71/23/794387123.db2.gz UBUBUQFWCUQDNZ-XQQFMLRXSA-N 1 0 344.412 -1.598 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220935866 794387274 /nfs/dbraw/zinc/38/72/74/794387274.db2.gz 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NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220938144 794386939 /nfs/dbraw/zinc/38/69/39/794386939.db2.gz OOHXQRDXZWRJGA-AXFHLTTASA-N 1 0 337.384 -2.015 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220938146 794386125 /nfs/dbraw/zinc/38/61/25/794386125.db2.gz OOHXQRDXZWRJGA-MXWKQRLJSA-N 1 0 337.384 -2.015 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220938199 794388509 /nfs/dbraw/zinc/38/85/09/794388509.db2.gz QEZLIBQGQRQQSR-TUAOUCFPSA-N 1 0 341.412 -1.878 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220938200 794388885 /nfs/dbraw/zinc/38/88/85/794388885.db2.gz QEZLIBQGQRQQSR-UTUOFQBUSA-N 1 0 341.412 -1.878 20 0 EAADRO Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C2)n1 ZINC001220938287 794388039 /nfs/dbraw/zinc/38/80/39/794388039.db2.gz RLQJSZNUQRFFHT-OLZOCXBDSA-N 1 0 338.412 -1.280 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001220938293 794388820 /nfs/dbraw/zinc/38/88/20/794388820.db2.gz RPKJVXLYWFGMFE-MCIONIFRSA-N 1 0 336.392 -1.060 20 0 EAADRO O=C(CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1)NCc1ccc(F)cc1 ZINC001220938891 794389327 /nfs/dbraw/zinc/38/93/27/794389327.db2.gz DAOFBNWODCCQJB-CYBMUJFWSA-N 1 0 336.367 -1.112 20 0 EAADRO O=C(CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)NCc1ccc(F)cc1 ZINC001220938892 794388483 /nfs/dbraw/zinc/38/84/83/794388483.db2.gz DAOFBNWODCCQJB-ZDUSSCGKSA-N 1 0 336.367 -1.112 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939721 794388273 /nfs/dbraw/zinc/38/82/73/794388273.db2.gz SPYWJSTXGDQLRB-CABZTGNLSA-N 1 0 340.355 -1.618 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 ZINC001220939992 794389052 /nfs/dbraw/zinc/38/90/52/794389052.db2.gz FZRJZUYLYRMDEM-KFWWJZLASA-N 1 0 343.424 -1.587 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 ZINC001220939993 794388390 /nfs/dbraw/zinc/38/83/90/794388390.db2.gz FZRJZUYLYRMDEM-ZNMIVQPWSA-N 1 0 343.424 -1.587 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220942234 794388415 /nfs/dbraw/zinc/38/84/15/794388415.db2.gz HSVHCJBCHWUGMO-UPJWGTAASA-N 1 0 325.365 -1.983 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 ZINC001220942235 794388125 /nfs/dbraw/zinc/38/81/25/794388125.db2.gz HSVHCJBCHWUGMO-XQQFMLRXSA-N 1 0 325.365 -1.983 20 0 EAADRO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944287 794389305 /nfs/dbraw/zinc/38/93/05/794389305.db2.gz GCKCMLVRUKNAOC-TUAOUCFPSA-N 1 0 342.396 -1.485 20 0 EAADRO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944288 794389019 /nfs/dbraw/zinc/38/90/19/794389019.db2.gz GCKCMLVRUKNAOC-UTUOFQBUSA-N 1 0 342.396 -1.485 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944319 794388707 /nfs/dbraw/zinc/38/87/07/794388707.db2.gz HJALXWHMNTUUGN-MNOVXSKESA-N 1 0 328.369 -1.874 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944333 794387873 /nfs/dbraw/zinc/38/78/73/794387873.db2.gz IEYPSLQNAHLABO-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220944336 794388247 /nfs/dbraw/zinc/38/82/47/794388247.db2.gz IHNGYMLIPOYIRW-MNOVXSKESA-N 1 0 330.360 -1.161 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944369 794387927 /nfs/dbraw/zinc/38/79/27/794387927.db2.gz JXRZKLMSNLAJST-AXFHLTTASA-N 1 0 328.369 -2.140 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944370 794388012 /nfs/dbraw/zinc/38/80/12/794388012.db2.gz JXRZKLMSNLAJST-MXWKQRLJSA-N 1 0 328.369 -2.140 20 0 EAADRO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944470 794388929 /nfs/dbraw/zinc/38/89/29/794388929.db2.gz OOCHZPDBFMWEAD-TUAOUCFPSA-N 1 0 342.396 -1.485 20 0 EAADRO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944471 794387898 /nfs/dbraw/zinc/38/78/98/794387898.db2.gz OOCHZPDBFMWEAD-UTUOFQBUSA-N 1 0 342.396 -1.485 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220944481 794387614 /nfs/dbraw/zinc/38/76/14/794387614.db2.gz OYVPBUKCSYUTPH-MNOVXSKESA-N 1 0 328.369 -2.138 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944647 794388310 /nfs/dbraw/zinc/38/83/10/794388310.db2.gz XIHXJOYVBXHRDV-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H](O)C1 ZINC001220948101 794390720 /nfs/dbraw/zinc/39/07/20/794390720.db2.gz ISGZIGWOCGKILR-GDLCADMTSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H](O)C1 ZINC001220948102 794390030 /nfs/dbraw/zinc/39/00/30/794390030.db2.gz ISGZIGWOCGKILR-HONMWMINSA-N 1 0 335.364 -1.260 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 ZINC001220949446 794390644 /nfs/dbraw/zinc/39/06/44/794390644.db2.gz 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COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)[C@@H](O)C1 ZINC001220976414 794394622 /nfs/dbraw/zinc/39/46/22/794394622.db2.gz YPCFZSIGOAZZKE-YUTCNCBUSA-N 1 0 338.408 -1.070 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976427 794394706 /nfs/dbraw/zinc/39/47/06/794394706.db2.gz YXQHRXILIRSZHN-UPJWGTAASA-N 1 0 333.454 -1.466 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976428 794394781 /nfs/dbraw/zinc/39/47/81/794394781.db2.gz YXQHRXILIRSZHN-XQQFMLRXSA-N 1 0 333.454 -1.466 20 0 EAADRO CS(=O)(=O)NCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977830 794395461 /nfs/dbraw/zinc/39/54/61/794395461.db2.gz DMDYZAPKFYNKBR-NEPJUHHUSA-N 1 0 334.442 -2.207 20 0 EAADRO CCS(=O)(=O)NCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977852 794393773 /nfs/dbraw/zinc/39/37/73/794393773.db2.gz DWJGIBCDBXUEGE-OLZOCXBDSA-N 1 0 348.469 -1.817 20 0 EAADRO CN(CCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220977985 794395012 /nfs/dbraw/zinc/39/50/12/794395012.db2.gz HUJWGTJGPJRFKI-OLZOCXBDSA-N 1 0 348.469 -1.865 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 ZINC001220978024 794394907 /nfs/dbraw/zinc/39/49/07/794394907.db2.gz JASZMGJCDAUKCT-NEPJUHHUSA-N 1 0 334.380 -1.135 20 0 EAADRO CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978084 794394868 /nfs/dbraw/zinc/39/48/68/794394868.db2.gz LOSJFTAFGCSQRQ-NEPJUHHUSA-N 1 0 341.412 -1.911 20 0 EAADRO CC(C)NC(=O)NCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978108 794395317 /nfs/dbraw/zinc/39/53/17/794395317.db2.gz MQZYBXDCWPOVBX-KGLIPLIRSA-N 1 0 341.456 -1.049 20 0 EAADRO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 ZINC001220978160 794394680 /nfs/dbraw/zinc/39/46/80/794394680.db2.gz PLFWWMZPNOWVIR-UPJWGTAASA-N 1 0 348.407 -1.011 20 0 EAADRO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 ZINC001220978161 794393706 /nfs/dbraw/zinc/39/37/06/794393706.db2.gz PLFWWMZPNOWVIR-XQQFMLRXSA-N 1 0 348.407 -1.011 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220978214 794394147 /nfs/dbraw/zinc/39/41/47/794394147.db2.gz SAGNDGGKOXAHSM-KFWWJZLASA-N 1 0 345.440 -1.733 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220978215 794395087 /nfs/dbraw/zinc/39/50/87/794395087.db2.gz SAGNDGGKOXAHSM-ZNMIVQPWSA-N 1 0 345.440 -1.733 20 0 EAADRO COCCCNC(=O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978278 794394448 /nfs/dbraw/zinc/39/44/48/794394448.db2.gz VTTGPHCHWGYURZ-KGLIPLIRSA-N 1 0 342.440 -1.604 20 0 EAADRO CS(=O)(=O)CCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978314 794394720 /nfs/dbraw/zinc/39/47/20/794394720.db2.gz XLEOEJYDVAFQEB-OLZOCXBDSA-N 1 0 333.454 -1.322 20 0 EAADRO CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978340 794395393 /nfs/dbraw/zinc/39/53/93/794395393.db2.gz YKVGECILNXCFOR-MNOVXSKESA-N 1 0 327.385 -2.301 20 0 EAADRO CCOCCNC(=O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979036 794394120 /nfs/dbraw/zinc/39/41/20/794394120.db2.gz BLMFEYMDBOCFCL-KGLIPLIRSA-N 1 0 342.440 -1.604 20 0 EAADRO C[C@H](CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)CS(C)(=O)=O ZINC001220979326 794394952 /nfs/dbraw/zinc/39/49/52/794394952.db2.gz JTYZGAYCXNNCLF-MCIONIFRSA-N 1 0 347.481 -1.076 20 0 EAADRO C[C@@H](CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)CS(C)(=O)=O ZINC001220979327 794394569 /nfs/dbraw/zinc/39/45/69/794394569.db2.gz JTYZGAYCXNNCLF-MJBXVCDLSA-N 1 0 347.481 -1.076 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979618 794394396 /nfs/dbraw/zinc/39/43/96/794394396.db2.gz QMPFFUSNEMWFER-AXFHLTTASA-N 1 0 327.385 -2.173 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979619 794394059 /nfs/dbraw/zinc/39/40/59/794394059.db2.gz QMPFFUSNEMWFER-MXWKQRLJSA-N 1 0 327.385 -2.173 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979764 794394296 /nfs/dbraw/zinc/39/42/96/794394296.db2.gz UKZBQLKPXACZHQ-TUAOUCFPSA-N 1 0 341.412 -1.912 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979765 794394967 /nfs/dbraw/zinc/39/49/67/794394967.db2.gz UKZBQLKPXACZHQ-UTUOFQBUSA-N 1 0 341.412 -1.912 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220981082 794394094 /nfs/dbraw/zinc/39/40/94/794394094.db2.gz JIZAFIVADVJLAQ-JLLWLGSASA-N 1 0 326.353 -2.104 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220981083 794395236 /nfs/dbraw/zinc/39/52/36/794395236.db2.gz JIZAFIVADVJLAQ-WCQGTBRESA-N 1 0 326.353 -2.104 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985670 794393662 /nfs/dbraw/zinc/39/36/62/794393662.db2.gz AUJPARVOHXXGDA-UPJWGTAASA-N 1 0 328.413 -2.138 20 0 EAADRO CNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985671 794394822 /nfs/dbraw/zinc/39/48/22/794394822.db2.gz AUJPARVOHXXGDA-XQQFMLRXSA-N 1 0 328.413 -2.138 20 0 EAADRO CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985696 794393860 /nfs/dbraw/zinc/39/38/60/794393860.db2.gz BRVOCYDUGAOXMV-MCIONIFRSA-N 1 0 342.440 -1.748 20 0 EAADRO CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985697 794394240 /nfs/dbraw/zinc/39/42/40/794394240.db2.gz BRVOCYDUGAOXMV-MJBXVCDLSA-N 1 0 342.440 -1.748 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001220985817 794396434 /nfs/dbraw/zinc/39/64/34/794396434.db2.gz HAUCHONTOXUQJI-MCIONIFRSA-N 1 0 342.440 -1.796 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001220985818 794396699 /nfs/dbraw/zinc/39/66/99/794396699.db2.gz HAUCHONTOXUQJI-MJBXVCDLSA-N 1 0 342.440 -1.796 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001220986153 794395725 /nfs/dbraw/zinc/39/57/25/794395725.db2.gz UUUZZSABMYOSCC-BNOWGMLFSA-N 1 0 339.396 -1.301 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001220986154 794395915 /nfs/dbraw/zinc/39/59/15/794395915.db2.gz UUUZZSABMYOSCC-YUTCNCBUSA-N 1 0 339.396 -1.301 20 0 EAADRO COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220986741 794396233 /nfs/dbraw/zinc/39/62/33/794396233.db2.gz AFTRFKSQJYYORQ-UPJWGTAASA-N 1 0 349.453 -1.344 20 0 EAADRO COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220986742 794397326 /nfs/dbraw/zinc/39/73/26/794397326.db2.gz AFTRFKSQJYYORQ-XQQFMLRXSA-N 1 0 349.453 -1.344 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001220987164 794396734 /nfs/dbraw/zinc/39/67/34/794396734.db2.gz IOQAUBSNVSTJRH-UPJWGTAASA-N 1 0 338.364 -2.037 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001220987165 794395978 /nfs/dbraw/zinc/39/59/78/794395978.db2.gz IOQAUBSNVSTJRH-XQQFMLRXSA-N 1 0 338.364 -2.037 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987247 794396319 /nfs/dbraw/zinc/39/63/19/794396319.db2.gz KQSDDZMIIZYUFI-TUAOUCFPSA-N 1 0 335.426 -1.736 20 0 EAADRO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987250 794397367 /nfs/dbraw/zinc/39/73/67/794397367.db2.gz KQSDDZMIIZYUFI-UTUOFQBUSA-N 1 0 335.426 -1.736 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001220987290 794397276 /nfs/dbraw/zinc/39/72/76/794397276.db2.gz LPSLXLLMJATMEG-TUAOUCFPSA-N 1 0 337.417 -1.021 20 0 EAADRO O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001220987291 794396964 /nfs/dbraw/zinc/39/69/64/794396964.db2.gz LPSLXLLMJATMEG-UTUOFQBUSA-N 1 0 337.417 -1.021 20 0 EAADRO CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987369 794396477 /nfs/dbraw/zinc/39/64/77/794396477.db2.gz NCWNWAWXFIRGEL-UPJWGTAASA-N 1 0 349.453 -1.344 20 0 EAADRO CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987370 794397309 /nfs/dbraw/zinc/39/73/09/794397309.db2.gz NCWNWAWXFIRGEL-XQQFMLRXSA-N 1 0 349.453 -1.344 20 0 EAADRO CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987466 794397105 /nfs/dbraw/zinc/39/71/05/794397105.db2.gz PJSVWVZOTUYJAD-TUAOUCFPSA-N 1 0 335.426 -1.734 20 0 EAADRO CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987467 794397142 /nfs/dbraw/zinc/39/71/42/794397142.db2.gz PJSVWVZOTUYJAD-UTUOFQBUSA-N 1 0 335.426 -1.734 20 0 EAADRO CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987789 794395764 /nfs/dbraw/zinc/39/57/64/794395764.db2.gz SXRWWGMZKITFRS-UPJWGTAASA-N 1 0 349.453 -1.346 20 0 EAADRO CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220987790 794397010 /nfs/dbraw/zinc/39/70/10/794397010.db2.gz SXRWWGMZKITFRS-XQQFMLRXSA-N 1 0 349.453 -1.346 20 0 EAADRO 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ZINC001220990887 794398304 /nfs/dbraw/zinc/39/83/04/794398304.db2.gz FWDSNGOBYLGHST-TUAOUCFPSA-N 1 0 335.426 -1.877 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220990888 794398751 /nfs/dbraw/zinc/39/87/51/794398751.db2.gz FWDSNGOBYLGHST-UTUOFQBUSA-N 1 0 335.426 -1.877 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001220991018 794397773 /nfs/dbraw/zinc/39/77/73/794397773.db2.gz LTRQWICDABRANQ-KGLIPLIRSA-N 1 0 341.433 -1.060 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001220992415 794397629 /nfs/dbraw/zinc/39/76/29/794397629.db2.gz ADWSIDAFCKEMTO-ZJUUUORDSA-N 1 0 341.380 -1.258 20 0 EAADRO CCc1nnc2ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cn21 ZINC001220992508 794398339 /nfs/dbraw/zinc/39/83/39/794398339.db2.gz OWLSFCNNMKDJJY-ONGXEEELSA-N 1 0 334.380 -1.268 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220992604 794398078 /nfs/dbraw/zinc/39/80/78/794398078.db2.gz 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338.408 -1.070 20 0 EAADRO COCCOCCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001221150211 794418690 /nfs/dbraw/zinc/41/86/90/794418690.db2.gz PWWGCJBDPALETQ-KGLIPLIRSA-N 1 0 334.413 -1.136 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001221154202 794420567 /nfs/dbraw/zinc/42/05/67/794420567.db2.gz GUJSNFCBGWLLKY-RTXFEEFZSA-N 1 0 338.364 -2.037 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001221156371 794420489 /nfs/dbraw/zinc/42/04/89/794420489.db2.gz GUJSNFCBGWLLKY-UHTWSYAYSA-N 1 0 338.364 -2.037 20 0 EAADRO COCCOc1nccc(CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001221157171 794420038 /nfs/dbraw/zinc/42/00/38/794420038.db2.gz CFIIDASDRUEXRM-GFCCVEGCSA-N 1 0 337.380 -1.552 20 0 EAADRO COCCOc1nccc(CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001221157172 794420413 /nfs/dbraw/zinc/42/04/13/794420413.db2.gz CFIIDASDRUEXRM-LBPRGKRZSA-N 1 0 337.380 -1.552 20 0 EAADRO COCCOc1nccc(CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)n1 ZINC001221157834 794420670 /nfs/dbraw/zinc/42/06/70/794420670.db2.gz PBTLFCVGOSWEGZ-ONGXEEELSA-N 1 0 341.368 -2.058 20 0 EAADRO COCCOc1nccc(CNC(=O)[C@H]([NH3+])CCCNC(N)=O)n1 ZINC001221158344 794420308 /nfs/dbraw/zinc/42/03/08/794420308.db2.gz ZXKZSNAWNFBTPH-LLVKDONJSA-N 1 0 340.384 -1.106 20 0 EAADRO O=C(CCCn1ccnc1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221161436 794421088 /nfs/dbraw/zinc/42/10/88/794421088.db2.gz MAFFZBCTFJIABA-KGLIPLIRSA-N 1 0 326.397 -1.167 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](O)C1 ZINC001221161449 794420951 /nfs/dbraw/zinc/42/09/51/794420951.db2.gz NCEYEGOGICNELY-MCIONIFRSA-N 1 0 326.397 -1.168 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](O)C1 ZINC001221161450 794420221 /nfs/dbraw/zinc/42/02/21/794420221.db2.gz NCEYEGOGICNELY-MJBXVCDLSA-N 1 0 326.397 -1.168 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001221164634 794419838 /nfs/dbraw/zinc/41/98/38/794419838.db2.gz OLEMBMVXGOZCAB-MCIONIFRSA-N 1 0 342.396 -1.932 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001221164635 794421147 /nfs/dbraw/zinc/42/11/47/794421147.db2.gz OLEMBMVXGOZCAB-MJBXVCDLSA-N 1 0 342.396 -1.932 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001221164756 794420363 /nfs/dbraw/zinc/42/03/63/794420363.db2.gz PASBQTJCAXBXAN-KGLIPLIRSA-N 1 0 339.396 -1.803 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001221164763 794420977 /nfs/dbraw/zinc/42/09/77/794420977.db2.gz PENHLFHZTKQJHO-OLZOCXBDSA-N 1 0 340.424 -1.184 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001221164923 794421067 /nfs/dbraw/zinc/42/10/67/794421067.db2.gz ZNFWRXLXQHPNDK-UPJWGTAASA-N 1 0 339.396 -1.939 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001221164924 794420292 /nfs/dbraw/zinc/42/02/92/794420292.db2.gz ZNFWRXLXQHPNDK-XQQFMLRXSA-N 1 0 339.396 -1.939 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001221165984 794420174 /nfs/dbraw/zinc/42/01/74/794420174.db2.gz DWINJUFYWHKXRF-RTXFEEFZSA-N 1 0 338.364 -2.037 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001221165985 794420730 /nfs/dbraw/zinc/42/07/30/794420730.db2.gz DWINJUFYWHKXRF-UHTWSYAYSA-N 1 0 338.364 -2.037 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](O)C1 ZINC001221171081 794422625 /nfs/dbraw/zinc/42/26/25/794422625.db2.gz DQZZHXYRUPBLPA-USZNOCQGSA-N 1 0 330.385 -2.302 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](O)C1 ZINC001221171082 794422358 /nfs/dbraw/zinc/42/23/58/794422358.db2.gz DQZZHXYRUPBLPA-WYUUTHIRSA-N 1 0 330.385 -2.302 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001221171087 794421563 /nfs/dbraw/zinc/42/15/63/794421563.db2.gz DTIQVZFTCCAOSG-UPJWGTAASA-N 1 0 340.424 -1.280 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001221171088 794422419 /nfs/dbraw/zinc/42/24/19/794422419.db2.gz DTIQVZFTCCAOSG-XQQFMLRXSA-N 1 0 340.424 -1.280 20 0 EAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171192 794422155 /nfs/dbraw/zinc/42/21/55/794422155.db2.gz JPEOUEJDZQXISI-UPJWGTAASA-N 1 0 347.412 -2.173 20 0 EAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171193 794422597 /nfs/dbraw/zinc/42/25/97/794422597.db2.gz JPEOUEJDZQXISI-XQQFMLRXSA-N 1 0 347.412 -2.173 20 0 EAADRO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171219 794422043 /nfs/dbraw/zinc/42/20/43/794422043.db2.gz LBORLMNMZAREJN-MCIONIFRSA-N 1 0 345.440 -1.163 20 0 EAADRO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171220 794422002 /nfs/dbraw/zinc/42/20/02/794422002.db2.gz LBORLMNMZAREJN-MJBXVCDLSA-N 1 0 345.440 -1.163 20 0 EAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171285 794422066 /nfs/dbraw/zinc/42/20/66/794422066.db2.gz OEWSQBZEPNTCBH-OLZOCXBDSA-N 1 0 344.412 -2.044 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221171340 794422472 /nfs/dbraw/zinc/42/24/72/794422472.db2.gz QCWCSOJETCDHJZ-MCIONIFRSA-N 1 0 343.424 -1.001 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221171341 794421874 /nfs/dbraw/zinc/42/18/74/794421874.db2.gz QCWCSOJETCDHJZ-MJBXVCDLSA-N 1 0 343.424 -1.001 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001221171545 794421777 /nfs/dbraw/zinc/42/17/77/794421777.db2.gz ZGNYMHKFAQHASG-TUAOUCFPSA-N 1 0 336.396 -1.418 20 0 EAADRO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001221171546 794421463 /nfs/dbraw/zinc/42/14/63/794421463.db2.gz ZGNYMHKFAQHASG-UTUOFQBUSA-N 1 0 336.396 -1.418 20 0 EAADRO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C2)cc1=O ZINC001221172400 794424185 /nfs/dbraw/zinc/42/41/85/794424185.db2.gz UJGXRMBBCONUGT-OLZOCXBDSA-N 1 0 336.392 -1.298 20 0 EAADRO O=C(CCNC(=O)[C@@H]1CCCO1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001221175821 794423797 /nfs/dbraw/zinc/42/37/97/794423797.db2.gz BDFXSSWLLNTZJA-AGIUHOORSA-N 1 0 329.397 -1.785 20 0 EAADRO O=C(CCNC(=O)[C@H]1CCCO1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001221175822 794423845 /nfs/dbraw/zinc/42/38/45/794423845.db2.gz BDFXSSWLLNTZJA-FRRDWIJNSA-N 1 0 329.397 -1.785 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001221175831 794422983 /nfs/dbraw/zinc/42/29/83/794422983.db2.gz BOMBEEVTSNSVHJ-HZSPNIEDSA-N 1 0 343.424 -1.131 20 0 EAADRO CCOCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221175832 794423441 /nfs/dbraw/zinc/42/34/41/794423441.db2.gz BOMBEEVTSNSVHJ-RDBSUJKOSA-N 1 0 343.424 -1.131 20 0 EAADRO CCc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)nn1C ZINC001221176112 794424392 /nfs/dbraw/zinc/42/43/92/794424392.db2.gz MLRZTNVDIAADNM-BNOWGMLFSA-N 1 0 326.397 -1.235 20 0 EAADRO CCc1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)nn1C ZINC001221176113 794423563 /nfs/dbraw/zinc/42/35/63/794423563.db2.gz MLRZTNVDIAADNM-YUTCNCBUSA-N 1 0 326.397 -1.235 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221176315 794424058 /nfs/dbraw/zinc/42/40/58/794424058.db2.gz VBXAAAFEUZHNLD-AGIUHOORSA-N 1 0 329.397 -1.521 20 0 EAADRO COCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001221176316 794424275 /nfs/dbraw/zinc/42/42/75/794424275.db2.gz VBXAAAFEUZHNLD-FRRDWIJNSA-N 1 0 329.397 -1.521 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001221176457 794423248 /nfs/dbraw/zinc/42/32/48/794423248.db2.gz ZQILEWXBJZRXAN-HZSPNIEDSA-N 1 0 343.424 -1.131 20 0 EAADRO COCCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221176458 794423305 /nfs/dbraw/zinc/42/33/05/794423305.db2.gz ZQILEWXBJZRXAN-RDBSUJKOSA-N 1 0 343.424 -1.131 20 0 EAADRO COCC1(CNC(=O)CN(CC[NH3+])S(C)(=O)=O)CCOCC1 ZINC001221176646 794423902 /nfs/dbraw/zinc/42/39/02/794423902.db2.gz ICPYLNPIHBNUOM-UHFFFAOYSA-N 1 0 337.442 -1.234 20 0 EAADRO COCC1(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CCOCC1 ZINC001221176755 794424298 /nfs/dbraw/zinc/42/42/98/794424298.db2.gz LXIVJDFENIJIKM-QWRGUYRKSA-N 1 0 344.412 -1.747 20 0 EAADRO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221177847 794423064 /nfs/dbraw/zinc/42/30/64/794423064.db2.gz KKDZIDVXPULMOI-KGLIPLIRSA-N 1 0 345.440 -1.291 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@@H](O)C1 ZINC001221178147 794423759 /nfs/dbraw/zinc/42/37/59/794423759.db2.gz RBSHDBMVICHYFI-MCIONIFRSA-N 1 0 345.440 -1.293 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@@H](O)C1 ZINC001221178148 794423371 /nfs/dbraw/zinc/42/33/71/794423371.db2.gz RBSHDBMVICHYFI-MJBXVCDLSA-N 1 0 345.440 -1.293 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)[C@@H](O)C1 ZINC001221182290 794423284 /nfs/dbraw/zinc/42/32/84/794423284.db2.gz 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794429719 /nfs/dbraw/zinc/42/97/19/794429719.db2.gz LJLRRAGOYUHZLT-DTWKUNHWSA-N 1 0 347.347 -3.463 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221243785 794430611 /nfs/dbraw/zinc/43/06/11/794430611.db2.gz NBLGQYHSMOJLJP-YFKTTZPYSA-N 1 0 344.387 -1.316 20 0 EAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC1CN(C2COC2)C1 ZINC001221245812 794429177 /nfs/dbraw/zinc/42/91/77/794429177.db2.gz DTVBYPKJSLFSPZ-LBPRGKRZSA-N 1 0 328.413 -1.556 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC2CN(C3COC3)C2)COC1(C)C ZINC001221245902 794430407 /nfs/dbraw/zinc/43/04/07/794430407.db2.gz HTQNQZZWJVIHRP-CABZTGNLSA-N 1 0 326.397 -1.504 20 0 EAADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CN(C2COC2)C1 ZINC001221245923 794430660 /nfs/dbraw/zinc/43/06/60/794430660.db2.gz IPGZHZULEFIEST-HNNXBMFYSA-N 1 0 332.404 -1.128 20 0 EAADRO O=C(NC1CN(C2COC2)C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221246141 794429728 /nfs/dbraw/zinc/42/97/28/794429728.db2.gz QTJXGLRXKAUHHD-CYBMUJFWSA-N 1 0 343.449 -1.400 20 0 EAADRO O=C(NC1CN(C2COC2)C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221246142 794430516 /nfs/dbraw/zinc/43/05/16/794430516.db2.gz QTJXGLRXKAUHHD-ZDUSSCGKSA-N 1 0 343.449 -1.400 20 0 EAADRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001221246199 794429064 /nfs/dbraw/zinc/42/90/64/794429064.db2.gz SWNROQHMTXIUMG-XOVFNQRHSA-N 1 0 341.408 -1.095 20 0 EAADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC1CN(C2COC2)C1 ZINC001221246311 794430217 /nfs/dbraw/zinc/43/02/17/794430217.db2.gz XJYGCRPLALAHQP-HNNXBMFYSA-N 1 0 332.404 -1.128 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221251517 794429630 /nfs/dbraw/zinc/42/96/30/794429630.db2.gz ZIXFQUVNBVPRMW-FRRDWIJNSA-N 1 0 336.396 -1.555 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221251518 794430423 /nfs/dbraw/zinc/43/04/23/794430423.db2.gz ZIXFQUVNBVPRMW-JHJVBQTASA-N 1 0 336.396 -1.555 20 0 EAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221256544 794431364 /nfs/dbraw/zinc/43/13/64/794431364.db2.gz BRTJVFHKWYIGSZ-DOERSZECSA-N 1 0 335.408 -1.040 20 0 EAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221256589 794431358 /nfs/dbraw/zinc/43/13/58/794431358.db2.gz DEDZCFRYLRLWLU-DETPVDSQSA-N 1 0 335.408 -1.038 20 0 EAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221256590 794431861 /nfs/dbraw/zinc/43/18/61/794431861.db2.gz DEDZCFRYLRLWLU-FFSVYQOJSA-N 1 0 335.408 -1.038 20 0 EAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221256591 794431929 /nfs/dbraw/zinc/43/19/29/794431929.db2.gz DEDZCFRYLRLWLU-PVXIVEMSSA-N 1 0 335.408 -1.038 20 0 EAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221256592 794432038 /nfs/dbraw/zinc/43/20/38/794432038.db2.gz DEDZCFRYLRLWLU-RBOXIYTFSA-N 1 0 335.408 -1.038 20 0 EAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001221256922 794431478 /nfs/dbraw/zinc/43/14/78/794431478.db2.gz RHDARDXXLMKGIM-RYUDHWBXSA-N 1 0 326.353 -1.099 20 0 EAADRO CC(=O)OCN1CCC(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001221258260 794431182 /nfs/dbraw/zinc/43/11/82/794431182.db2.gz BXCUKLQZFMHPAP-CABZTGNLSA-N 1 0 330.385 -2.088 20 0 EAADRO CC(=O)OCN1CCC(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221258285 794431140 /nfs/dbraw/zinc/43/11/40/794431140.db2.gz CYRRPUVODBONTM-CYBMUJFWSA-N 1 0 326.397 -1.582 20 0 EAADRO CC(=O)OCN1CCC(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221258286 794432390 /nfs/dbraw/zinc/43/23/90/794432390.db2.gz CYRRPUVODBONTM-ZDUSSCGKSA-N 1 0 326.397 -1.582 20 0 EAADRO CC(=O)OCN1CCC(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001221259268 794431451 /nfs/dbraw/zinc/43/14/51/794431451.db2.gz YGHIEANCPXJAKI-GFCCVEGCSA-N 1 0 329.401 -1.137 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H](F)C(C)(C)O ZINC001221260501 794431406 /nfs/dbraw/zinc/43/14/06/794431406.db2.gz ROPBTKPNFNPHRZ-GARJFASQSA-N 1 0 346.403 -1.334 20 0 EAADRO CCOC(=O)/C=C(/NC(=O)CN(CC[NH3+])S(C)(=O)=O)OCC ZINC001221262736 794431853 /nfs/dbraw/zinc/43/18/53/794431853.db2.gz NVEKCIWVTRKDRM-FLIBITNWSA-N 1 0 337.398 -1.236 20 0 EAADRO CCOC(=O)/C=C(/NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])OCC ZINC001221262942 794431307 /nfs/dbraw/zinc/43/13/07/794431307.db2.gz VNAHXWUEPSIIQJ-AYKAQRMPSA-N 1 0 344.368 -1.749 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264290 794430997 /nfs/dbraw/zinc/43/09/97/794430997.db2.gz DOKYNEUVHKOQQG-FRRDWIJNSA-N 1 0 344.412 -1.789 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264291 794432286 /nfs/dbraw/zinc/43/22/86/794432286.db2.gz DOKYNEUVHKOQQG-JHJVBQTASA-N 1 0 344.412 -1.789 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221264412 794432265 /nfs/dbraw/zinc/43/22/65/794432265.db2.gz JVWCLWGCCOQHHE-NXEZZACHSA-N 1 0 338.368 -2.261 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264561 794431617 /nfs/dbraw/zinc/43/16/17/794431617.db2.gz QOXFBNCZEFTMQC-CHWSQXEVSA-N 1 0 341.412 -1.660 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221264673 794431044 /nfs/dbraw/zinc/43/10/44/794431044.db2.gz WXUXWMMDGBTSNM-GHMZBOCLSA-N 1 0 337.380 -1.664 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001221264709 794431746 /nfs/dbraw/zinc/43/17/46/794431746.db2.gz YJCDKEFQAABENS-GRYCIOLGSA-N 1 0 333.396 -1.034 20 0 EAADRO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001221264710 794432160 /nfs/dbraw/zinc/43/21/60/794432160.db2.gz YJCDKEFQAABENS-IJLUTSLNSA-N 1 0 333.396 -1.034 20 0 EAADRO N[C@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)[C@H]2NCN[C@@H]21 ZINC001221264778 794431909 /nfs/dbraw/zinc/43/19/09/794431909.db2.gz AJRYTFVGXMOFPL-DMRZNYOFSA-N 1 0 341.419 -1.376 20 0 EAADRO N[C@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)[C@@H]2NCN[C@H]21 ZINC001221264779 794432342 /nfs/dbraw/zinc/43/23/42/794432342.db2.gz AJRYTFVGXMOFPL-OEAJRASXSA-N 1 0 341.419 -1.376 20 0 EAADRO N[C@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)[C@@H]2NCN[C@@H]21 ZINC001221264780 794431686 /nfs/dbraw/zinc/43/16/86/794431686.db2.gz AJRYTFVGXMOFPL-OJLVUWQFSA-N 1 0 341.419 -1.376 20 0 EAADRO N[C@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)[C@H]2NCN[C@H]21 ZINC001221264781 794432049 /nfs/dbraw/zinc/43/20/49/794432049.db2.gz AJRYTFVGXMOFPL-SYAUCNOPSA-N 1 0 341.419 -1.376 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001221264852 794432118 /nfs/dbraw/zinc/43/21/18/794432118.db2.gz BJHDJMLWYLMRHF-MHEUCROKSA-N 1 0 348.407 -2.034 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001221264853 794431635 /nfs/dbraw/zinc/43/16/35/794431635.db2.gz BJHDJMLWYLMRHF-MYPMTAMASA-N 1 0 348.407 -2.034 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)[C@H]2NCN[C@H]21 ZINC001221264854 794431509 /nfs/dbraw/zinc/43/15/09/794431509.db2.gz BJHDJMLWYLMRHF-SPWCGHHHSA-N 1 0 348.407 -2.034 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001221264855 794431389 /nfs/dbraw/zinc/43/13/89/794431389.db2.gz BJHDJMLWYLMRHF-ZGKBOVNRSA-N 1 0 348.407 -2.034 20 0 EAADRO Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c2ccccc21 ZINC001221264866 794432328 /nfs/dbraw/zinc/43/23/28/794432328.db2.gz BNTITOQBGYNLDX-DRPJVOAASA-N 1 0 343.435 -1.433 20 0 EAADRO Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c2ccccc21 ZINC001221264867 794432372 /nfs/dbraw/zinc/43/23/72/794432372.db2.gz BNTITOQBGYNLDX-QCEMKRCNSA-N 1 0 343.435 -1.433 20 0 EAADRO Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c2ccccc21 ZINC001221264868 794432241 /nfs/dbraw/zinc/43/22/41/794432241.db2.gz BNTITOQBGYNLDX-TUUVXOQKSA-N 1 0 343.435 -1.433 20 0 EAADRO Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c2ccccc21 ZINC001221264869 794431205 /nfs/dbraw/zinc/43/12/05/794431205.db2.gz BNTITOQBGYNLDX-UKMLZYKCSA-N 1 0 343.435 -1.433 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)COC1(C)C ZINC001221264938 794432071 /nfs/dbraw/zinc/43/20/71/794432071.db2.gz CTTYWBPJISBLHK-AJBSGBCOSA-N 1 0 341.416 -3.184 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)COC1(C)C ZINC001221264939 794431496 /nfs/dbraw/zinc/43/14/96/794431496.db2.gz CTTYWBPJISBLHK-HHKYUTTNSA-N 1 0 341.416 -3.184 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)COC1(C)C ZINC001221264940 794431333 /nfs/dbraw/zinc/43/13/33/794431333.db2.gz CTTYWBPJISBLHK-QHZLYTNSSA-N 1 0 341.416 -3.184 20 0 EAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)COC1(C)C ZINC001221264941 794431190 /nfs/dbraw/zinc/43/11/90/794431190.db2.gz CTTYWBPJISBLHK-QUARPLMYSA-N 1 0 341.416 -3.184 20 0 EAADRO N[C@@H]1NCN(C(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)[C@H]2NCN[C@H]21 ZINC001221265008 794431349 /nfs/dbraw/zinc/43/13/49/794431349.db2.gz DVNNMTSWPAXAOQ-ISGRIPCHSA-N 1 0 340.378 -1.256 20 0 EAADRO N[C@@H]1NCN(C(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)[C@@H]2NCN[C@H]21 ZINC001221265009 794432029 /nfs/dbraw/zinc/43/20/29/794432029.db2.gz DVNNMTSWPAXAOQ-JVOAXRGISA-N 1 0 340.378 -1.256 20 0 EAADRO N[C@@H]1NCN(C(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)[C@@H]2NCN[C@@H]21 ZINC001221265010 794431670 /nfs/dbraw/zinc/43/16/70/794431670.db2.gz DVNNMTSWPAXAOQ-MOZUYYIMSA-N 1 0 340.378 -1.256 20 0 EAADRO N[C@@H]1NCN(C(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)[C@H]2NCN[C@@H]21 ZINC001221265011 794431839 /nfs/dbraw/zinc/43/18/39/794431839.db2.gz DVNNMTSWPAXAOQ-PSQHIMEXSA-N 1 0 340.378 -1.256 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)[C@@H]2NCN[C@H]21 ZINC001221265078 794431764 /nfs/dbraw/zinc/43/17/64/794431764.db2.gz GDFGEPWWWJXRLV-BVUBDWEXSA-N 1 0 341.419 -1.376 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)[C@H]2NCN[C@@H]21 ZINC001221265079 794431319 /nfs/dbraw/zinc/43/13/19/794431319.db2.gz GDFGEPWWWJXRLV-DTZQCDIJSA-N 1 0 341.419 -1.376 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)[C@@H]2NCN[C@@H]21 ZINC001221265080 794431529 /nfs/dbraw/zinc/43/15/29/794431529.db2.gz GDFGEPWWWJXRLV-MIGQKNRLSA-N 1 0 341.419 -1.376 20 0 EAADRO N[C@@H]1NCN(C(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)[C@H]2NCN[C@H]21 ZINC001221265081 794431589 /nfs/dbraw/zinc/43/15/89/794431589.db2.gz GDFGEPWWWJXRLV-SLBVQIDZSA-N 1 0 341.419 -1.376 20 0 EAADRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221265088 794431795 /nfs/dbraw/zinc/43/17/95/794431795.db2.gz GIBRIKYFHAYZDS-CRWXNKLISA-N 1 0 338.843 -1.010 20 0 EAADRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221265089 794431608 /nfs/dbraw/zinc/43/16/08/794431608.db2.gz GIBRIKYFHAYZDS-RFQIPJPRSA-N 1 0 338.843 -1.010 20 0 EAADRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221265090 794431069 /nfs/dbraw/zinc/43/10/69/794431069.db2.gz GIBRIKYFHAYZDS-XDQVBPFNSA-N 1 0 338.843 -1.010 20 0 EAADRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221265091 794432399 /nfs/dbraw/zinc/43/23/99/794432399.db2.gz GIBRIKYFHAYZDS-XUXIUFHCSA-N 1 0 338.843 -1.010 20 0 EAADRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221265176 794431264 /nfs/dbraw/zinc/43/12/64/794431264.db2.gz HTDHHIIVJVWCIJ-KXGXSXBTSA-N 1 0 328.417 -2.045 20 0 EAADRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221265177 794432274 /nfs/dbraw/zinc/43/22/74/794432274.db2.gz HTDHHIIVJVWCIJ-NUGNTBJXSA-N 1 0 328.417 -2.045 20 0 EAADRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221265178 794431217 /nfs/dbraw/zinc/43/12/17/794431217.db2.gz HTDHHIIVJVWCIJ-QTKMDUPCSA-N 1 0 328.417 -2.045 20 0 EAADRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221265179 794432103 /nfs/dbraw/zinc/43/21/03/794432103.db2.gz HTDHHIIVJVWCIJ-YJQGPUDQSA-N 1 0 328.417 -2.045 20 0 EAADRO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221265382 794432394 /nfs/dbraw/zinc/43/23/94/794432394.db2.gz LCRNHUMTSNDYNK-GSVCSZOMSA-N 1 0 342.444 -1.655 20 0 EAADRO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221265383 794431176 /nfs/dbraw/zinc/43/11/76/794431176.db2.gz LCRNHUMTSNDYNK-HBEIAFGSSA-N 1 0 342.444 -1.655 20 0 EAADRO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221265384 794431871 /nfs/dbraw/zinc/43/18/71/794431871.db2.gz LCRNHUMTSNDYNK-NZPIUUIZSA-N 1 0 342.444 -1.655 20 0 EAADRO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221265385 794431112 /nfs/dbraw/zinc/43/11/12/794431112.db2.gz LCRNHUMTSNDYNK-VZLIPTOUSA-N 1 0 342.444 -1.655 20 0 EAADRO C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221266001 794431711 /nfs/dbraw/zinc/43/17/11/794431711.db2.gz RLQWNSCGOANZQY-AJNGGQMLSA-N 1 0 334.424 -1.690 20 0 EAADRO C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221266002 794431973 /nfs/dbraw/zinc/43/19/73/794431973.db2.gz RLQWNSCGOANZQY-LJISPDSOSA-N 1 0 334.424 -1.690 20 0 EAADRO C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221266003 794433769 /nfs/dbraw/zinc/43/37/69/794433769.db2.gz RLQWNSCGOANZQY-XGUBFFRZSA-N 1 0 334.424 -1.690 20 0 EAADRO C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266004 794432706 /nfs/dbraw/zinc/43/27/06/794432706.db2.gz RLQWNSCGOANZQY-ZQDZILKHSA-N 1 0 334.424 -1.690 20 0 EAADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221266044 794433635 /nfs/dbraw/zinc/43/36/35/794433635.db2.gz RVAZIWSYFZTRLU-IELRGYKMSA-N 1 0 328.417 -2.175 20 0 EAADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266045 794432959 /nfs/dbraw/zinc/43/29/59/794432959.db2.gz RVAZIWSYFZTRLU-PDEGPIFNSA-N 1 0 328.417 -2.175 20 0 EAADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221266046 794432621 /nfs/dbraw/zinc/43/26/21/794432621.db2.gz RVAZIWSYFZTRLU-VGDYDELISA-N 1 0 328.417 -2.175 20 0 EAADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221266047 794433729 /nfs/dbraw/zinc/43/37/29/794433729.db2.gz RVAZIWSYFZTRLU-ZDDJMSTPSA-N 1 0 328.417 -2.175 20 0 EAADRO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221266541 794433441 /nfs/dbraw/zinc/43/34/41/794433441.db2.gz WZMQZKKPGGAOEI-BQUFFADESA-N 1 0 342.444 -1.655 20 0 EAADRO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221266542 794433555 /nfs/dbraw/zinc/43/35/55/794433555.db2.gz WZMQZKKPGGAOEI-RYDUCSDGSA-N 1 0 342.444 -1.655 20 0 EAADRO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266543 794433751 /nfs/dbraw/zinc/43/37/51/794433751.db2.gz WZMQZKKPGGAOEI-XYJRDEOASA-N 1 0 342.444 -1.655 20 0 EAADRO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221266544 794433703 /nfs/dbraw/zinc/43/37/03/794433703.db2.gz WZMQZKKPGGAOEI-ZBAXXZLZSA-N 1 0 342.444 -1.655 20 0 EAADRO CC[C@H](C)[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C(=O)N(C)C ZINC001221277880 794433983 /nfs/dbraw/zinc/43/39/83/794433983.db2.gz AEEILWOHYPQRKQ-JQWIXIFHSA-N 1 0 336.458 -1.174 20 0 EAADRO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278436 794434029 /nfs/dbraw/zinc/43/40/29/794434029.db2.gz SMCBAOHABLKKRG-SECBINFHSA-N 1 0 325.335 -1.469 20 0 EAADRO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278437 794433367 /nfs/dbraw/zinc/43/33/67/794433367.db2.gz SMCBAOHABLKKRG-VIFPVBQESA-N 1 0 325.335 -1.469 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278457 794434019 /nfs/dbraw/zinc/43/40/19/794434019.db2.gz UCNXEINGELQZCU-WDSKDSINSA-N 1 0 341.290 -2.512 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCC(=O)NCC(F)(F)F ZINC001221278483 794432862 /nfs/dbraw/zinc/43/28/62/794432862.db2.gz UUJRNWPAZHUBAC-UHFFFAOYSA-N 1 0 334.320 -1.999 20 0 EAADRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C(=O)N(C)C ZINC001221279880 794433122 /nfs/dbraw/zinc/43/31/22/794433122.db2.gz JAZLLOHDSYRQFT-GMOBBJLQSA-N 1 0 343.428 -1.687 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCCCCO ZINC001221285748 794432720 /nfs/dbraw/zinc/43/27/20/794432720.db2.gz VHLLBYFWFVXLLR-RYUDHWBXSA-N 1 0 328.413 -1.280 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298474 794433292 /nfs/dbraw/zinc/43/32/92/794433292.db2.gz PPZQITXKYJZEAK-UFBFGSQYSA-N 1 0 347.375 -1.495 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc2c1cnn2C ZINC001221306541 794433421 /nfs/dbraw/zinc/43/34/21/794433421.db2.gz UAQXQIBCCZRLSK-CABZTGNLSA-N 1 0 346.391 -1.103 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1CCC[C@H]1CO ZINC001221309092 794433227 /nfs/dbraw/zinc/43/32/27/794433227.db2.gz GZNBMIXRXFBAGO-CYDGBPFRSA-N 1 0 340.424 -1.282 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCNC(=O)c1cccs1 ZINC001221309273 794433057 /nfs/dbraw/zinc/43/30/57/794433057.db2.gz NYCGVWSYXWEVCX-IUCAKERBSA-N 1 0 328.394 -1.582 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCNC(=O)c1cccs1 ZINC001221309655 794433719 /nfs/dbraw/zinc/43/37/19/794433719.db2.gz UODJNAVOEJGWMS-UHFFFAOYSA-N 1 0 348.450 -1.186 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221311572 794433030 /nfs/dbraw/zinc/43/30/30/794433030.db2.gz BZBKDBJRSXJNRH-PEXQALLHSA-N 1 0 347.375 -1.454 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221311573 794433076 /nfs/dbraw/zinc/43/30/76/794433076.db2.gz BZBKDBJRSXJNRH-XRNSZHNASA-N 1 0 347.375 -1.454 20 0 EAADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC1=CC(=O)NCC1 ZINC001221314496 794433304 /nfs/dbraw/zinc/43/33/04/794433304.db2.gz ZTXOMKHWNCWFCY-NSHDSACASA-N 1 0 332.364 -1.166 20 0 EAADRO O=C(NC1=CC(=O)NCC1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221316101 794433003 /nfs/dbraw/zinc/43/30/03/794433003.db2.gz FDZCFYXIWBJSCO-LLVKDONJSA-N 1 0 327.406 -1.079 20 0 EAADRO O=C(NC1=CC(=O)NCC1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221316102 794433413 /nfs/dbraw/zinc/43/34/13/794433413.db2.gz FDZCFYXIWBJSCO-NSHDSACASA-N 1 0 327.406 -1.079 20 0 EAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC1=CC(=O)NCC1 ZINC001221316105 794433240 /nfs/dbraw/zinc/43/32/40/794433240.db2.gz FFVBWLJTJAWKIN-ONGXEEELSA-N 1 0 337.380 -2.039 20 0 EAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cnc(Cl)cn1 ZINC001221319406 794433930 /nfs/dbraw/zinc/43/39/30/794433930.db2.gz YXLPDJCCNKJBIF-XPUUQOCRSA-N 1 0 328.760 -1.546 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC(=N)c1cnc2ccc(F)cn21 ZINC001221322533 794433651 /nfs/dbraw/zinc/43/36/51/794433651.db2.gz GMKPXVVYHLFTDR-CBAPKCEASA-N 1 0 336.327 -1.261 20 0 EAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NC1=CCOC1=O ZINC001221327975 794433324 /nfs/dbraw/zinc/43/33/24/794433324.db2.gz HWPDAICPARNZMC-AAEUAGOBSA-N 1 0 349.343 -1.704 20 0 EAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cnn(-c2ccccc2)c(=O)c1 ZINC001221328194 794433604 /nfs/dbraw/zinc/43/36/04/794433604.db2.gz AXIMDOBBMCWTOF-GWCFXTLKSA-N 1 0 345.359 -1.005 20 0 EAADRO Nc1cn(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(N)nc1=O ZINC001221328254 794433826 /nfs/dbraw/zinc/43/38/26/794433826.db2.gz CLZRYKHAURWSFS-JTQLQIEISA-N 1 0 330.348 -1.023 20 0 EAADRO Nc1cn(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c(N)nc1=O ZINC001221328276 794432857 /nfs/dbraw/zinc/43/28/57/794432857.db2.gz DMAGTBRYOTTWIO-MRVPVSSYSA-N 1 0 341.393 -1.295 20 0 EAADRO Nc1cn(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c(N)nc1=O ZINC001221328277 794432996 /nfs/dbraw/zinc/43/29/96/794432996.db2.gz DMAGTBRYOTTWIO-QMMMGPOBSA-N 1 0 341.393 -1.295 20 0 EAADRO Cc1ncsc1CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221328516 794432809 /nfs/dbraw/zinc/43/28/09/794432809.db2.gz LYUFLJZBMUABFZ-CBAPKCEASA-N 1 0 327.410 -1.182 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1=CCOC1=O ZINC001221330543 794434113 /nfs/dbraw/zinc/43/41/13/794434113.db2.gz WUYJXOSCVOTKBZ-UHFFFAOYSA-N 1 0 327.297 -4.149 20 0 EAADRO Nc1cn(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c(N)nc1=O ZINC001221332081 794433476 /nfs/dbraw/zinc/43/34/76/794433476.db2.gz XATGTECVLKOLJX-NSHDSACASA-N 1 0 330.348 -1.023 20 0 EAADRO COC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221334942 794432891 /nfs/dbraw/zinc/43/28/91/794432891.db2.gz YRHVMKMLYPGURR-VXGBXAGGSA-N 1 0 339.396 -1.100 20 0 EAADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221335270 794433393 /nfs/dbraw/zinc/43/33/93/794433393.db2.gz GTRMPJGTSRUSTK-NSHDSACASA-N 1 0 334.442 -1.372 20 0 EAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCN1CCCS1(=O)=O ZINC001221335703 794433695 /nfs/dbraw/zinc/43/36/95/794433695.db2.gz JEKBUZQJAASCMC-UHFFFAOYSA-N 1 0 342.443 -2.642 20 0 EAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCN1CCCS1(=O)=O ZINC001221336265 794433380 /nfs/dbraw/zinc/43/33/80/794433380.db2.gz MAINXNQDSCURRL-JQWIXIFHSA-N 1 0 334.442 -1.372 20 0 EAADRO COc1cnccc1CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221337413 794433971 /nfs/dbraw/zinc/43/39/71/794433971.db2.gz KTEQWPBMCWQPAD-ONGXEEELSA-N 1 0 337.380 -1.544 20 0 EAADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221337606 794433270 /nfs/dbraw/zinc/43/32/70/794433270.db2.gz TUWRVVXVCVEETN-LBPRGKRZSA-N 1 0 334.442 -1.228 20 0 EAADRO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001221338586 794433523 /nfs/dbraw/zinc/43/35/23/794433523.db2.gz XILWXMQTJNEZCH-ZMLRMANQSA-N 1 0 338.364 -1.894 20 0 EAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221338673 794433351 /nfs/dbraw/zinc/43/33/51/794433351.db2.gz ACSKFXFQCCCNFF-BWPRHRIFSA-N 1 0 327.341 -3.945 20 0 EAADRO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221339647 794433341 /nfs/dbraw/zinc/43/33/41/794433341.db2.gz LZILFHNRBUEZCY-CHWSQXEVSA-N 1 0 334.376 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NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001221348120 794435865 /nfs/dbraw/zinc/43/58/65/794435865.db2.gz GGXCAYNNCQTLKA-CYDGBPFRSA-N 1 0 348.407 -1.349 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[NH3+] ZINC001221348379 794435809 /nfs/dbraw/zinc/43/58/09/794435809.db2.gz HDYFRTWZZVLQIX-DCAQKATOSA-N 1 0 343.428 -1.625 20 0 EAADRO C[NH2+]CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348815 794435999 /nfs/dbraw/zinc/43/59/99/794435999.db2.gz NKUDVRDIXUXYSW-RYUDHWBXSA-N 1 0 336.396 -1.477 20 0 EAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)C[NH3+] ZINC001221348878 794434597 /nfs/dbraw/zinc/43/45/97/794434597.db2.gz PJAVQJKWMWXRTO-DCAQKATOSA-N 1 0 337.384 -2.801 20 0 EAADRO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349401 794435920 /nfs/dbraw/zinc/43/59/20/794435920.db2.gz BKNUKJRIHYVUQD-MMWGEVLESA-N 1 0 329.397 -1.082 20 0 EAADRO 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NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001222081507 794460715 /nfs/dbraw/zinc/46/07/15/794460715.db2.gz GOOYTLWDCKBXER-JTQLQIEISA-N 1 0 348.363 -1.430 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001222081508 794460516 /nfs/dbraw/zinc/46/05/16/794460516.db2.gz GOOYTLWDCKBXER-SNVBAGLBSA-N 1 0 348.363 -1.430 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001222092556 794460943 /nfs/dbraw/zinc/46/09/43/794460943.db2.gz RYSNIVIAYABIFY-JTQLQIEISA-N 1 0 348.363 -1.430 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001222092557 794460271 /nfs/dbraw/zinc/46/02/71/794460271.db2.gz RYSNIVIAYABIFY-SNVBAGLBSA-N 1 0 348.363 -1.430 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001222105829 794460065 /nfs/dbraw/zinc/46/00/65/794460065.db2.gz WPQQCQIBEFSKGW-UWVGGRQHSA-N 1 0 340.384 -1.695 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001222105832 794460441 /nfs/dbraw/zinc/46/04/41/794460441.db2.gz WPQQCQIBEFSKGW-ZJUUUORDSA-N 1 0 340.384 -1.695 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001222111462 794460041 /nfs/dbraw/zinc/46/00/41/794460041.db2.gz RAAVMUSHTPVXMA-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001222111463 794460509 /nfs/dbraw/zinc/46/05/09/794460509.db2.gz RAAVMUSHTPVXMA-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCC(N)=O)C1)C(=O)NC(N)=O ZINC001222117190 794460644 /nfs/dbraw/zinc/46/06/44/794460644.db2.gz GKCVFGKXEPVJLI-NXEZZACHSA-N 1 0 327.385 -1.194 20 0 EAADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)CCCC(N)=O)C1)C(=O)NC(N)=O ZINC001222117191 794459452 /nfs/dbraw/zinc/45/94/52/794459452.db2.gz GKCVFGKXEPVJLI-UWVGGRQHSA-N 1 0 327.385 -1.194 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCC(N)=O)C1)C(=O)NC(N)=O ZINC001222117192 794460746 /nfs/dbraw/zinc/46/07/46/794460746.db2.gz GKCVFGKXEPVJLI-VHSXEESVSA-N 1 0 327.385 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20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001222123604 794462561 /nfs/dbraw/zinc/46/25/61/794462561.db2.gz SVKHCOPYIFZDGY-NEPJUHHUSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001222123607 794462218 /nfs/dbraw/zinc/46/22/18/794462218.db2.gz SVKHCOPYIFZDGY-NWDGAFQWSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001222123608 794462033 /nfs/dbraw/zinc/46/20/33/794462033.db2.gz SVKHCOPYIFZDGY-RYUDHWBXSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001222123609 794461684 /nfs/dbraw/zinc/46/16/84/794461684.db2.gz SVKHCOPYIFZDGY-VXGBXAGGSA-N 1 0 326.397 -1.262 20 0 EAADRO Cn1cc(CCC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001222130585 794461819 /nfs/dbraw/zinc/46/18/19/794461819.db2.gz NGBRLNAWCRAYKJ-JTQLQIEISA-N 1 0 337.384 -1.477 20 0 EAADRO Cn1cc(CCC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001222130587 794461715 /nfs/dbraw/zinc/46/17/15/794461715.db2.gz NGBRLNAWCRAYKJ-SNVBAGLBSA-N 1 0 337.384 -1.477 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC001222136179 794461854 /nfs/dbraw/zinc/46/18/54/794461854.db2.gz HQDJLVODYKPQDT-NEPJUHHUSA-N 1 0 342.396 -1.043 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)COC[C@H]2CCCO2)C1 ZINC001222136180 794461780 /nfs/dbraw/zinc/46/17/80/794461780.db2.gz HQDJLVODYKPQDT-NWDGAFQWSA-N 1 0 342.396 -1.043 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC001222136181 794462212 /nfs/dbraw/zinc/46/22/12/794462212.db2.gz HQDJLVODYKPQDT-RYUDHWBXSA-N 1 0 342.396 -1.043 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)C1 ZINC001222136182 794461617 /nfs/dbraw/zinc/46/16/17/794461617.db2.gz HQDJLVODYKPQDT-VXGBXAGGSA-N 1 0 342.396 -1.043 20 0 EAADRO C[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N1CCOCC1 ZINC001222142551 794461964 /nfs/dbraw/zinc/46/19/64/794461964.db2.gz MNMKSNOLTFWVBX-NWDGAFQWSA-N 1 0 341.412 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CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001222150118 794461791 /nfs/dbraw/zinc/46/17/91/794461791.db2.gz TVMWDKIEGNUIIU-QWRGUYRKSA-N 1 0 341.412 -1.091 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001222150119 794461394 /nfs/dbraw/zinc/46/13/94/794461394.db2.gz TVMWDKIEGNUIIU-WDEREUQCSA-N 1 0 341.412 -1.091 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001222157066 794462367 /nfs/dbraw/zinc/46/23/67/794462367.db2.gz KKTKBKDGJVFKNM-NEPJUHHUSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001222157072 794461766 /nfs/dbraw/zinc/46/17/66/794461766.db2.gz KKTKBKDGJVFKNM-NWDGAFQWSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001222157073 794461541 /nfs/dbraw/zinc/46/15/41/794461541.db2.gz KKTKBKDGJVFKNM-RYUDHWBXSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001222157074 794461894 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EAADRO COC[C@@H](OC)C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224445986 794484759 /nfs/dbraw/zinc/48/47/59/794484759.db2.gz QXKOLWZSEPXUHW-LLVKDONJSA-N 1 0 330.385 -1.329 20 0 EAADRO COC[C@H](OC)C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224445989 794485087 /nfs/dbraw/zinc/48/50/87/794485087.db2.gz QXKOLWZSEPXUHW-NSHDSACASA-N 1 0 330.385 -1.329 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2CC[NH+](CCOCCO)CC2)O1 ZINC001224512879 794484767 /nfs/dbraw/zinc/48/47/67/794484767.db2.gz CMRXQLRQWFBCJF-UONOGXRCSA-N 1 0 343.424 -1.144 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001224514046 794484969 /nfs/dbraw/zinc/48/49/69/794484969.db2.gz KQAKLSRIQHAMGG-HZSPNIEDSA-N 1 0 343.424 -1.145 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001224514052 794484961 /nfs/dbraw/zinc/48/49/61/794484961.db2.gz KQAKLSRIQHAMGG-MELADBBJSA-N 1 0 343.424 -1.145 20 0 EAADRO CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001224514640 794484771 /nfs/dbraw/zinc/48/47/71/794484771.db2.gz QUDAHPKYKRHZHS-QWHCGFSZSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001224532258 794485860 /nfs/dbraw/zinc/48/58/60/794485860.db2.gz JGNNADJTRVITOQ-ZIAGYGMSSA-N 1 0 340.424 -1.002 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O ZINC001224533597 794485917 /nfs/dbraw/zinc/48/59/17/794485917.db2.gz ZYWIDNOZONURFC-VXGBXAGGSA-N 1 0 341.412 -1.015 20 0 EAADRO C[C@]1(C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CCNC1=O ZINC001224535670 794485770 /nfs/dbraw/zinc/48/57/70/794485770.db2.gz IKKSOMLYSIHOOW-HNNXBMFYSA-N 1 0 339.396 -1.464 20 0 EAADRO C[C@@]1(C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CCNC1=O ZINC001224535673 794485913 /nfs/dbraw/zinc/48/59/13/794485913.db2.gz IKKSOMLYSIHOOW-OAHLLOKOSA-N 1 0 339.396 -1.464 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O ZINC001224540211 794486038 /nfs/dbraw/zinc/48/60/38/794486038.db2.gz QVFKANYREGIXJN-GHMZBOCLSA-N 1 0 327.385 -1.405 20 0 EAADRO NC(=O)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001224545718 794486488 /nfs/dbraw/zinc/48/64/88/794486488.db2.gz CIQYYRFYBNRCJD-ZJUUUORDSA-N 1 0 325.369 -1.869 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001224546418 794485848 /nfs/dbraw/zinc/48/58/48/794485848.db2.gz FPPHQWHDEGWMFB-VXGBXAGGSA-N 1 0 334.442 -1.311 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001224546561 794485727 /nfs/dbraw/zinc/48/57/27/794485727.db2.gz JAZSNMQXRRKZGR-FBIMIBRVSA-N 1 0 327.385 -1.277 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001224546563 794485514 /nfs/dbraw/zinc/48/55/14/794485514.db2.gz JAZSNMQXRRKZGR-JMJZKYOTSA-N 1 0 327.385 -1.277 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001224547419 794486626 /nfs/dbraw/zinc/48/66/26/794486626.db2.gz SVTOAEISXCLKJO-VXGBXAGGSA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O ZINC001224547442 794485762 /nfs/dbraw/zinc/48/57/62/794485762.db2.gz ULDHKIBAUVWMKA-MVWJERBFSA-N 1 0 341.412 -1.016 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O ZINC001224547443 794485874 /nfs/dbraw/zinc/48/58/74/794485874.db2.gz ULDHKIBAUVWMKA-YUSALJHKSA-N 1 0 341.412 -1.016 20 0 EAADRO CS(=O)(=O)NCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001224569033 794486554 /nfs/dbraw/zinc/48/65/54/794486554.db2.gz FLWAJGHFVOZYFC-NEPJUHHUSA-N 1 0 346.453 -1.515 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001224569199 794486343 /nfs/dbraw/zinc/48/63/43/794486343.db2.gz IIIMZVPAYFNXIA-GDPRMGEGSA-N 1 0 339.396 -1.481 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001224569201 794486529 /nfs/dbraw/zinc/48/65/29/794486529.db2.gz IIIMZVPAYFNXIA-IEBDPFPHSA-N 1 0 339.396 -1.481 20 0 EAADRO CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001224604803 794486576 /nfs/dbraw/zinc/48/65/76/794486576.db2.gz YLQQUHIAAKUAHL-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224633470 794485801 /nfs/dbraw/zinc/48/58/01/794485801.db2.gz WKWGFICHXHBHJA-GFCCVEGCSA-N 1 0 341.412 -1.076 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224633471 794486595 /nfs/dbraw/zinc/48/65/95/794486595.db2.gz WKWGFICHXHBHJA-LBPRGKRZSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001224656474 794486108 /nfs/dbraw/zinc/48/61/08/794486108.db2.gz ATAVCAJJXQTVKP-LLVKDONJSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001224656477 794486509 /nfs/dbraw/zinc/48/65/09/794486509.db2.gz ATAVCAJJXQTVKP-NSHDSACASA-N 1 0 348.469 -1.160 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001224656509 794485749 /nfs/dbraw/zinc/48/57/49/794485749.db2.gz BRUQBFZBAHCGRE-JTQLQIEISA-N 1 0 334.442 -1.502 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001224656510 794485585 /nfs/dbraw/zinc/48/55/85/794485585.db2.gz BRUQBFZBAHCGRE-SNVBAGLBSA-N 1 0 334.442 -1.502 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001224656577 794485883 /nfs/dbraw/zinc/48/58/83/794485883.db2.gz DXFLOZBEMRRLJU-GHMZBOCLSA-N 1 0 348.469 -1.113 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001224656579 794485970 /nfs/dbraw/zinc/48/59/70/794485970.db2.gz DXFLOZBEMRRLJU-MNOVXSKESA-N 1 0 348.469 -1.113 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001224656580 794485900 /nfs/dbraw/zinc/48/59/00/794485900.db2.gz DXFLOZBEMRRLJU-QWRGUYRKSA-N 1 0 348.469 -1.113 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001224656582 794486191 /nfs/dbraw/zinc/48/61/91/794486191.db2.gz DXFLOZBEMRRLJU-WDEREUQCSA-N 1 0 348.469 -1.113 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001224656824 794485834 /nfs/dbraw/zinc/48/58/34/794485834.db2.gz JLXJJIUKCBDEQO-CMPLNLGQSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001224656825 794486370 /nfs/dbraw/zinc/48/63/70/794486370.db2.gz JLXJJIUKCBDEQO-JQWIXIFHSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001224656826 794486616 /nfs/dbraw/zinc/48/66/16/794486616.db2.gz JLXJJIUKCBDEQO-PWSUYJOCSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001224656827 794485995 /nfs/dbraw/zinc/48/59/95/794485995.db2.gz JLXJJIUKCBDEQO-ZYHUDNBSSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001224657126 794486402 /nfs/dbraw/zinc/48/64/02/794486402.db2.gz WCSQGYPOBFHAFX-NXEZZACHSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001224657128 794486082 /nfs/dbraw/zinc/48/60/82/794486082.db2.gz WCSQGYPOBFHAFX-UWVGGRQHSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001224657129 794486300 /nfs/dbraw/zinc/48/63/00/794486300.db2.gz WCSQGYPOBFHAFX-VHSXEESVSA-N 1 0 334.442 -1.374 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001224657130 794485556 /nfs/dbraw/zinc/48/55/56/794485556.db2.gz WCSQGYPOBFHAFX-ZJUUUORDSA-N 1 0 334.442 -1.374 20 0 EAADRO CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001224657314 794485864 /nfs/dbraw/zinc/48/58/64/794485864.db2.gz ZRVKRBBRIMDOKI-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001224657315 794486739 /nfs/dbraw/zinc/48/67/39/794486739.db2.gz ZRVKRBBRIMDOKI-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001224658362 794486429 /nfs/dbraw/zinc/48/64/29/794486429.db2.gz PGOLAAMYVNJGMV-MVWJERBFSA-N 1 0 341.412 -1.016 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001224658363 794485854 /nfs/dbraw/zinc/48/58/54/794485854.db2.gz PGOLAAMYVNJGMV-YUSALJHKSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001224658420 794485650 /nfs/dbraw/zinc/48/56/50/794485650.db2.gz QZFTUFWRECVFLA-FBIMIBRVSA-N 1 0 327.385 -1.277 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001224658421 794486071 /nfs/dbraw/zinc/48/60/71/794486071.db2.gz QZFTUFWRECVFLA-JMJZKYOTSA-N 1 0 327.385 -1.277 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001224665653 794486228 /nfs/dbraw/zinc/48/62/28/794486228.db2.gz MBHHQMRPMFBUNX-NEPJUHHUSA-N 1 0 342.396 -1.580 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001224665659 794486170 /nfs/dbraw/zinc/48/61/70/794486170.db2.gz MBHHQMRPMFBUNX-RYUDHWBXSA-N 1 0 342.396 -1.580 20 0 EAADRO O=C(NCC1CC[NH+](CCOCCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001224665698 794486059 /nfs/dbraw/zinc/48/60/59/794486059.db2.gz MVFUTBGTMHCLLH-LBPRGKRZSA-N 1 0 342.396 -1.578 20 0 EAADRO CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001224666204 794486150 /nfs/dbraw/zinc/48/61/50/794486150.db2.gz UAAQWUDTOFTJAH-NSHDSACASA-N 1 0 339.396 -1.451 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001224676308 794485978 /nfs/dbraw/zinc/48/59/78/794485978.db2.gz GWWVZABUQJZDKU-GHMZBOCLSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001224677531 794486025 /nfs/dbraw/zinc/48/60/25/794486025.db2.gz ZUZGZICREVKLNR-JHJVBQTASA-N 1 0 338.412 -1.071 20 0 EAADRO NC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001224677532 794485987 /nfs/dbraw/zinc/48/59/87/794485987.db2.gz ZUZGZICREVKLNR-YNEHKIRRSA-N 1 0 338.412 -1.071 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC1CC[NH+](CCCO)CC1 ZINC001224681888 794486699 /nfs/dbraw/zinc/48/66/99/794486699.db2.gz DEGHSHBKIPUJIZ-UHFFFAOYSA-N 1 0 336.458 -1.407 20 0 EAADRO COCC[NH+]1CCC(CNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001224682331 794485879 /nfs/dbraw/zinc/48/58/79/794485879.db2.gz KCTHWLPTZGPOLE-UHFFFAOYSA-N 1 0 336.458 -1.143 20 0 EAADRO C[C@@H](O)C[NH+]1CCC(CNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001224682471 794485732 /nfs/dbraw/zinc/48/57/32/794485732.db2.gz MRAAMUUBRAZESL-LLVKDONJSA-N 1 0 336.458 -1.409 20 0 EAADRO C[C@H](O)C[NH+]1CCC(CNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001224682480 794485876 /nfs/dbraw/zinc/48/58/76/794485876.db2.gz MRAAMUUBRAZESL-NSHDSACASA-N 1 0 336.458 -1.409 20 0 EAADRO C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001224682852 794485662 /nfs/dbraw/zinc/48/56/62/794485662.db2.gz NJYGOLHZCWEWSA-JTQLQIEISA-N 1 0 349.457 -1.916 20 0 EAADRO C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001224682854 794486046 /nfs/dbraw/zinc/48/60/46/794486046.db2.gz NJYGOLHZCWEWSA-SNVBAGLBSA-N 1 0 349.457 -1.916 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224683347 794485929 /nfs/dbraw/zinc/48/59/29/794485929.db2.gz TVNLSLRSSBFYHC-UHFFFAOYSA-N 1 0 335.430 -2.304 20 0 EAADRO CNC(=O)C[NH+]1CCC(CNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001224683696 794486649 /nfs/dbraw/zinc/48/66/49/794486649.db2.gz ZYYIKYYXVVWTMZ-UHFFFAOYSA-N 1 0 349.457 -2.043 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1=O ZINC001224687371 794488077 /nfs/dbraw/zinc/48/80/77/794488077.db2.gz PYGMTJQKOFPSNF-GHMZBOCLSA-N 1 0 339.396 -1.179 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001224687386 794487024 /nfs/dbraw/zinc/48/70/24/794487024.db2.gz QNESDQBBRRWZRY-BFHYXJOUSA-N 1 0 348.411 -1.052 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001224687390 794487019 /nfs/dbraw/zinc/48/70/19/794487019.db2.gz QNESDQBBRRWZRY-MGPQQGTHSA-N 1 0 348.411 -1.052 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224702833 794487533 /nfs/dbraw/zinc/48/75/33/794487533.db2.gz MHKBAKFPCOEMBN-UHFFFAOYSA-N 1 0 348.469 -1.029 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224705836 794488147 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EAADRO COC[C@@H](O)C[NH+]1CCC(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001225702260 794494976 /nfs/dbraw/zinc/49/49/76/794494976.db2.gz IWSRSXPTFCDFSY-STQMWFEESA-N 1 0 341.408 -1.125 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001225704046 794494595 /nfs/dbraw/zinc/49/45/95/794494595.db2.gz ZLVXKGQUIOFKFS-CYBMUJFWSA-N 1 0 341.408 -1.124 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001225704059 794495187 /nfs/dbraw/zinc/49/51/87/794495187.db2.gz ZLVXKGQUIOFKFS-ZDUSSCGKSA-N 1 0 341.408 -1.124 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001225707003 794494893 /nfs/dbraw/zinc/49/48/93/794494893.db2.gz CHJJYWGMADMOBX-IJLUTSLNSA-N 1 0 341.412 -1.471 20 0 EAADRO CN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001225707006 794494299 /nfs/dbraw/zinc/49/42/99/794494299.db2.gz CHJJYWGMADMOBX-UTUOFQBUSA-N 1 0 341.412 -1.471 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1 ZINC001225717464 794494574 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COC[C@H](C)OC[C@H](O)C[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226009961 794498245 /nfs/dbraw/zinc/49/82/45/794498245.db2.gz ARWDRMQWJHKQFZ-WCQYABFASA-N 1 0 346.428 -1.352 20 0 EAADRO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226009962 794497939 /nfs/dbraw/zinc/49/79/39/794497939.db2.gz ARWDRMQWJHKQFZ-YPMHNXCESA-N 1 0 346.428 -1.352 20 0 EAADRO NC(=O)NCC(=O)NC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC001226010033 794497144 /nfs/dbraw/zinc/49/71/44/794497144.db2.gz DZCILCJOFUTABO-UHFFFAOYSA-N 1 0 347.441 -1.729 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)CNC(N)=O)CC1)S(C)(=O)=O ZINC001226010350 794497456 /nfs/dbraw/zinc/49/74/56/794497456.db2.gz ISNPKWUUPQQNSS-UHFFFAOYSA-N 1 0 335.430 -1.873 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226010451 794497966 /nfs/dbraw/zinc/49/79/66/794497966.db2.gz MOVHODSPJLLFEM-UHFFFAOYSA-N 1 0 329.401 -1.612 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226010705 794497783 /nfs/dbraw/zinc/49/77/83/794497783.db2.gz QNJAUXCFLLHCNP-GFCCVEGCSA-N 1 0 332.401 -1.741 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226010709 794498162 /nfs/dbraw/zinc/49/81/62/794498162.db2.gz QNJAUXCFLLHCNP-LBPRGKRZSA-N 1 0 332.401 -1.741 20 0 EAADRO CCS(=O)(=O)NCCC[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226011060 794498178 /nfs/dbraw/zinc/49/81/78/794498178.db2.gz YVUNGZVTVFDOFL-UHFFFAOYSA-N 1 0 349.457 -1.435 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nn1 ZINC001226011583 794497477 /nfs/dbraw/zinc/49/74/77/794497477.db2.gz PGYUEEKOAMRKSY-NXEZZACHSA-N 1 0 337.384 -1.099 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ncn(C)n1 ZINC001226011604 794497666 /nfs/dbraw/zinc/49/76/66/794497666.db2.gz PSPSDZZYKXAMQF-NXEZZACHSA-N 1 0 337.384 -1.099 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)nn1 ZINC001226019397 794497879 /nfs/dbraw/zinc/49/78/79/794497879.db2.gz IGFLGBYSKGCFRV-GHMZBOCLSA-N 1 0 344.441 -1.005 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)n1 ZINC001226036051 794499286 /nfs/dbraw/zinc/49/92/86/794499286.db2.gz IPMIOZSVJLGYGK-GHMZBOCLSA-N 1 0 344.441 -1.005 20 0 EAADRO CNC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226042174 794499584 /nfs/dbraw/zinc/49/95/84/794499584.db2.gz DXUXEGZDMYAQFG-NXEZZACHSA-N 1 0 342.400 -1.483 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)[nH]1 ZINC001226103702 794499647 /nfs/dbraw/zinc/49/96/47/794499647.db2.gz YAIAOOOPXUKGQQ-NXEZZACHSA-N 1 0 337.384 -1.132 20 0 EAADRO O=C(CCn1cncn1)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001226103791 794499772 /nfs/dbraw/zinc/49/97/72/794499772.db2.gz RGNNCPBIXOCRPE-UHFFFAOYSA-N 1 0 349.395 -1.199 20 0 EAADRO CC(=O)N(C)CC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001226161542 794499754 /nfs/dbraw/zinc/49/97/54/794499754.db2.gz KBDIYCIURYKDKZ-UHFFFAOYSA-N 1 0 348.469 -1.063 20 0 EAADRO CC(=O)N(C)CC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001226162589 794499068 /nfs/dbraw/zinc/49/90/68/794499068.db2.gz ZPVKSINCPZHYOX-UHFFFAOYSA-N 1 0 339.396 -1.403 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)[C@H]2COCCO2)CC1)S(C)(=O)=O ZINC001226176879 794499158 /nfs/dbraw/zinc/49/91/58/794499158.db2.gz LCNMQTXAOGOBHS-CYBMUJFWSA-N 1 0 349.453 -1.126 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)[C@@H]2COCCO2)CC1)S(C)(=O)=O ZINC001226176881 794498889 /nfs/dbraw/zinc/49/88/89/794498889.db2.gz LCNMQTXAOGOBHS-ZDUSSCGKSA-N 1 0 349.453 -1.126 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(N)=O ZINC001226197456 794499423 /nfs/dbraw/zinc/49/94/23/794499423.db2.gz GULQQXBHONRMLF-GMTAPVOTSA-N 1 0 334.442 -1.184 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(N)=O ZINC001226197460 794499429 /nfs/dbraw/zinc/49/94/29/794499429.db2.gz GULQQXBHONRMLF-HBNTYKKESA-N 1 0 334.442 -1.184 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001226197880 794498674 /nfs/dbraw/zinc/49/86/74/794498674.db2.gz OCSDVPJEEVOGIB-VXGBXAGGSA-N 1 0 336.458 -1.266 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001226197995 794499169 /nfs/dbraw/zinc/49/91/69/794499169.db2.gz ROTCIHZZDDWIEN-GHMZBOCLSA-N 1 0 349.457 -1.773 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001226198476 794499059 /nfs/dbraw/zinc/49/90/59/794499059.db2.gz XTALBUIUXYSGKZ-IJLUTSLNSA-N 1 0 346.453 -1.169 20 0 EAADRO CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001226198479 794499100 /nfs/dbraw/zinc/49/91/00/794499100.db2.gz XTALBUIUXYSGKZ-UTUOFQBUSA-N 1 0 346.453 -1.169 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)NC ZINC001226198548 794498632 /nfs/dbraw/zinc/49/86/32/794498632.db2.gz ZSKUTGWSFAWEBU-GHMZBOCLSA-N 1 0 334.442 -1.311 20 0 EAADRO C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)NC(N)=O ZINC001226213653 794499461 /nfs/dbraw/zinc/49/94/61/794499461.db2.gz DRLYEAMLUSSAFS-IVZWLZJFSA-N 1 0 342.400 -1.355 20 0 EAADRO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)NC(N)=O ZINC001226213669 794499599 /nfs/dbraw/zinc/49/95/99/794499599.db2.gz DRLYEAMLUSSAFS-OPRDCNLKSA-N 1 0 342.400 -1.355 20 0 EAADRO O=C(CNC(=O)C1CC1)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001226260211 794499182 /nfs/dbraw/zinc/49/91/82/794499182.db2.gz QQOARPQQQFLFLD-GFCCVEGCSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(CNC(=O)C1CC1)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001226260228 794499333 /nfs/dbraw/zinc/49/93/33/794499333.db2.gz QQOARPQQQFLFLD-LBPRGKRZSA-N 1 0 336.392 -1.102 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226283120 794499320 /nfs/dbraw/zinc/49/93/20/794499320.db2.gz BONKEMGNGPBELE-GHMZBOCLSA-N 1 0 345.429 -1.761 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1)C(=O)NC(N)=O ZINC001226284434 794499682 /nfs/dbraw/zinc/49/96/82/794499682.db2.gz XEPJSHFZDIUIHI-IVZWLZJFSA-N 1 0 338.372 -1.727 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1)C(=O)NC(N)=O ZINC001226284436 794499205 /nfs/dbraw/zinc/49/92/05/794499205.db2.gz XEPJSHFZDIUIHI-OPRDCNLKSA-N 1 0 338.372 -1.727 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001226284513 794499266 /nfs/dbraw/zinc/49/92/66/794499266.db2.gz ZORMDEKXUAGSJS-BFHYXJOUSA-N 1 0 348.411 -1.052 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001226284514 794499680 /nfs/dbraw/zinc/49/96/80/794499680.db2.gz ZORMDEKXUAGSJS-MGPQQGTHSA-N 1 0 348.411 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226288084 794500591 /nfs/dbraw/zinc/50/05/91/794500591.db2.gz BLEAYACWPKJYLZ-NXEZZACHSA-N 1 0 338.372 -1.854 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226288438 794500336 /nfs/dbraw/zinc/50/03/36/794500336.db2.gz IZIAMZNRGNGCSH-GHMZBOCLSA-N 1 0 330.414 -1.265 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)CNC(=O)OC)CC1 ZINC001226298214 794500990 /nfs/dbraw/zinc/50/09/90/794500990.db2.gz ACSLPYRUOVCEQQ-CYBMUJFWSA-N 1 0 347.412 -1.053 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)CNC(=O)OC)CC1 ZINC001226298225 794501166 /nfs/dbraw/zinc/50/11/66/794501166.db2.gz ACSLPYRUOVCEQQ-ZDUSSCGKSA-N 1 0 347.412 -1.053 20 0 EAADRO COC(=O)NCC(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001226298755 794500648 /nfs/dbraw/zinc/50/06/48/794500648.db2.gz ISMWQKPTWNSSQZ-JTQLQIEISA-N 1 0 326.353 -1.272 20 0 EAADRO COC(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001226298760 794500611 /nfs/dbraw/zinc/50/06/11/794500611.db2.gz ISMWQKPTWNSSQZ-SNVBAGLBSA-N 1 0 326.353 -1.272 20 0 EAADRO COC(=O)NCC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001226298827 794501134 /nfs/dbraw/zinc/50/11/34/794501134.db2.gz JQSSAAMAJVFAJD-UHFFFAOYSA-N 1 0 341.368 -1.525 20 0 EAADRO COC(=O)NCC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001226299329 794500423 /nfs/dbraw/zinc/50/04/23/794500423.db2.gz UULFAEJDXKHOQC-UHFFFAOYSA-N 1 0 327.385 -1.052 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001226323608 794501032 /nfs/dbraw/zinc/50/10/32/794501032.db2.gz PPKXUFOSZYSYNC-NXEZZACHSA-N 1 0 337.384 -1.860 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001226384621 794500199 /nfs/dbraw/zinc/50/01/99/794500199.db2.gz VXQAYVPDOALPSB-GMTAPVOTSA-N 1 0 334.442 -1.184 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001226384622 794500798 /nfs/dbraw/zinc/50/07/98/794500798.db2.gz VXQAYVPDOALPSB-HBNTYKKESA-N 1 0 334.442 -1.184 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)COC ZINC001226400378 794501089 /nfs/dbraw/zinc/50/10/89/794501089.db2.gz GJCNKVKXVYRZKB-IJLUTSLNSA-N 1 0 328.413 -1.100 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(=O)COC ZINC001226400380 794500973 /nfs/dbraw/zinc/50/09/73/794500973.db2.gz GJCNKVKXVYRZKB-QJPTWQEYSA-N 1 0 328.413 -1.100 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226426865 794500533 /nfs/dbraw/zinc/50/05/33/794500533.db2.gz BFQATKZGRXTZPF-NXEZZACHSA-N 1 0 346.409 -1.757 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 ZINC001226475272 794501013 /nfs/dbraw/zinc/50/10/13/794501013.db2.gz ZTJFWSYTIWVNJE-GHMZBOCLSA-N 1 0 337.384 -1.249 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1)C(=O)NC(N)=O ZINC001226481366 794500284 /nfs/dbraw/zinc/50/02/84/794500284.db2.gz FTFOXAKZEDJFMX-GMTAPVOTSA-N 1 0 337.384 -1.122 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1)C(=O)NC(N)=O ZINC001226481369 794501027 /nfs/dbraw/zinc/50/10/27/794501027.db2.gz FTFOXAKZEDJFMX-HBNTYKKESA-N 1 0 337.384 -1.122 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 ZINC001226482218 794500791 /nfs/dbraw/zinc/50/07/91/794500791.db2.gz YGEICEJTCAMXHG-VXGBXAGGSA-N 1 0 344.441 -1.156 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001226541846 794502215 /nfs/dbraw/zinc/50/22/15/794502215.db2.gz DQUNILUQVQGFNB-UONOGXRCSA-N 1 0 343.424 -1.131 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001226541853 794501898 /nfs/dbraw/zinc/50/18/98/794501898.db2.gz DQUNILUQVQGFNB-ZIAGYGMSSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1)S(C)(=O)=O ZINC001226542365 794502080 /nfs/dbraw/zinc/50/20/80/794502080.db2.gz MIJDLRBFFYRURQ-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001226542742 794502443 /nfs/dbraw/zinc/50/24/43/794502443.db2.gz RFUKYRYMLKVJDI-CQSZACIVSA-N 1 0 340.424 -1.002 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001226564271 794502003 /nfs/dbraw/zinc/50/20/03/794502003.db2.gz IVNLLIOIQVKZNL-GMTAPVOTSA-N 1 0 339.396 -1.323 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC1=O ZINC001226564273 794501828 /nfs/dbraw/zinc/50/18/28/794501828.db2.gz IVNLLIOIQVKZNL-HBNTYKKESA-N 1 0 339.396 -1.323 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(N)=O ZINC001226573269 794501991 /nfs/dbraw/zinc/50/19/91/794501991.db2.gz PHJKIPHJDIUFCK-GMTAPVOTSA-N 1 0 334.442 -1.184 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(N)=O ZINC001226573271 794501958 /nfs/dbraw/zinc/50/19/58/794501958.db2.gz PHJKIPHJDIUFCK-HBNTYKKESA-N 1 0 334.442 -1.184 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC ZINC001226573302 794502522 /nfs/dbraw/zinc/50/25/22/794502522.db2.gz QGQGRSMUKASFNW-GHMZBOCLSA-N 1 0 334.442 -1.311 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001226573320 794501946 /nfs/dbraw/zinc/50/19/46/794501946.db2.gz RHXONEGTEYXRFK-IJLUTSLNSA-N 1 0 346.453 -1.169 20 0 EAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001226573321 794501984 /nfs/dbraw/zinc/50/19/84/794501984.db2.gz RHXONEGTEYXRFK-UTUOFQBUSA-N 1 0 346.453 -1.169 20 0 EAADRO CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001226579432 794502140 /nfs/dbraw/zinc/50/21/40/794502140.db2.gz HFJYABCZRAPXDV-IJLUTSLNSA-N 1 0 346.453 -1.169 20 0 EAADRO CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001226579564 794501952 /nfs/dbraw/zinc/50/19/52/794501952.db2.gz HFJYABCZRAPXDV-UTUOFQBUSA-N 1 0 346.453 -1.169 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001226579585 794501542 /nfs/dbraw/zinc/50/15/42/794501542.db2.gz HWPXXGQIHSOCFS-GMTAPVOTSA-N 1 0 334.442 -1.184 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001226579587 794502014 /nfs/dbraw/zinc/50/20/14/794502014.db2.gz HWPXXGQIHSOCFS-HBNTYKKESA-N 1 0 334.442 -1.184 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001226579633 794501848 /nfs/dbraw/zinc/50/18/48/794501848.db2.gz JBPRUMRJPJYRRZ-GMTAPVOTSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001226579637 794502318 /nfs/dbraw/zinc/50/23/18/794502318.db2.gz JBPRUMRJPJYRRZ-HBNTYKKESA-N 1 0 334.442 -1.231 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001226579961 794501888 /nfs/dbraw/zinc/50/18/88/794501888.db2.gz 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343.424 -1.131 20 0 EAADRO O=C(CN1CCOCC1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001226808956 794504975 /nfs/dbraw/zinc/50/49/75/794504975.db2.gz VNTVDXPJBGKPLX-ZIAGYGMSSA-N 1 0 343.424 -1.129 20 0 EAADRO O=C(CCc1nnc[nH]1)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001226809518 794505931 /nfs/dbraw/zinc/50/59/31/794505931.db2.gz HNIKJJMELFBNJW-UHFFFAOYSA-N 1 0 349.395 -1.130 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001226844262 794505158 /nfs/dbraw/zinc/50/51/58/794505158.db2.gz CFBGOSJAUPZVKH-KKOKHZNYSA-N 1 0 342.396 -1.391 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001226844266 794504886 /nfs/dbraw/zinc/50/48/86/794504886.db2.gz CFBGOSJAUPZVKH-QCNOEVLYSA-N 1 0 342.396 -1.391 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001226844284 794504760 /nfs/dbraw/zinc/50/47/60/794504760.db2.gz DNXOWWJTEFGLAM-MXWKQRLJSA-N 1 0 339.396 -1.310 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO 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VKJVWWRWDPOJTF-NXEZZACHSA-N 1 0 341.412 -1.030 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226922709 794505563 /nfs/dbraw/zinc/50/55/63/794505563.db2.gz XFEAEXSNZBZGBU-RKDXNWHRSA-N 1 0 327.385 -1.290 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001226964982 794507345 /nfs/dbraw/zinc/50/73/45/794507345.db2.gz NXUDDXCPUFWJLX-GMTAPVOTSA-N 1 0 339.396 -1.133 20 0 EAADRO CCNC(=O)CC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001227005132 794507214 /nfs/dbraw/zinc/50/72/14/794507214.db2.gz FGKGDQNLRVUZLD-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CCNC(=O)CC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001227005650 794507051 /nfs/dbraw/zinc/50/70/51/794507051.db2.gz IHLYOFATNLESBU-UHFFFAOYSA-N 1 0 339.396 -1.355 20 0 EAADRO CNC(=O)CC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001227023620 794507182 /nfs/dbraw/zinc/50/71/82/794507182.db2.gz JTAYIFIVYMSCQQ-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CNC(=O)CC(=O)NC1CC[NH+](CCN2CCCS2(=O)=O)CC1 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ORJHFKWJRCPFLB-JTQLQIEISA-N 1 0 349.457 -1.485 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001227060403 794508650 /nfs/dbraw/zinc/50/86/50/794508650.db2.gz JFDKMXBJTDKFRU-WCBMZHEXSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001227060404 794509073 /nfs/dbraw/zinc/50/90/73/794509073.db2.gz JFDKMXBJTDKFRU-WPRPVWTQSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001227060445 794508557 /nfs/dbraw/zinc/50/85/57/794508557.db2.gz JPPVZRIRQPVWJL-JTQLQIEISA-N 1 0 326.401 -1.351 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001227060714 794509025 /nfs/dbraw/zinc/50/90/25/794509025.db2.gz LJYKHNQZFQFSKA-AAEUAGOBSA-N 1 0 346.428 -1.352 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001227060715 794509102 /nfs/dbraw/zinc/50/91/02/794509102.db2.gz LJYKHNQZFQFSKA-WCQYABFASA-N 1 0 346.428 -1.352 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001227061280 794508685 /nfs/dbraw/zinc/50/86/85/794508685.db2.gz SUGOIMYGJZFWES-NSHDSACASA-N 1 0 343.428 -1.224 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001227061285 794508735 /nfs/dbraw/zinc/50/87/35/794508735.db2.gz SZGHEQNVXJWIRL-VIFPVBQESA-N 1 0 340.384 -1.824 20 0 EAADRO O=C(CCn1ccnn1)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001227077112 794508173 /nfs/dbraw/zinc/50/81/73/794508173.db2.gz XKBOORHXUUICTR-UHFFFAOYSA-N 1 0 349.395 -1.199 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CCOC ZINC001227112981 794508620 /nfs/dbraw/zinc/50/86/20/794508620.db2.gz BJJDWUPLKGTWMZ-VXGBXAGGSA-N 1 0 349.453 -1.189 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(N)=O ZINC001227113460 794508900 /nfs/dbraw/zinc/50/89/00/794508900.db2.gz HAICOJXOOQCYMY-IJLUTSLNSA-N 1 0 349.453 -1.062 20 0 EAADRO COCCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(N)=O ZINC001227113462 794508718 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O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001227655248 794515974 /nfs/dbraw/zinc/51/59/74/794515974.db2.gz HFSCNGVUFOBXEJ-UTUOFQBUSA-N 1 0 347.437 -1.701 20 0 EAADRO COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001227655829 794516982 /nfs/dbraw/zinc/51/69/82/794516982.db2.gz ZVENQGFBNWMGOZ-UTUOFQBUSA-N 1 0 347.437 -1.437 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCNC(=O)COC)CC1 ZINC001227661281 794516324 /nfs/dbraw/zinc/51/63/24/794516324.db2.gz CNHOBFKYUIBIPE-GFCCVEGCSA-N 1 0 328.413 -1.016 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCNC(=O)COC)CC1 ZINC001227661284 794515994 /nfs/dbraw/zinc/51/59/94/794515994.db2.gz CNHOBFKYUIBIPE-LBPRGKRZSA-N 1 0 328.413 -1.016 20 0 EAADRO COCC(=O)NCCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001227661297 794516257 /nfs/dbraw/zinc/51/62/57/794516257.db2.gz CUVMGBQVWCOMDO-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO COCC(=O)NCCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001227661299 794517052 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COCC(=O)NCCC(=O)NC1CC[NH+](C[C@H](O)COC)CC1 ZINC001227661802 794518171 /nfs/dbraw/zinc/51/81/71/794518171.db2.gz LCVSZSPRDXZHLS-ZDUSSCGKSA-N 1 0 331.413 -1.273 20 0 EAADRO COCC(=O)NCCC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001227661906 794517808 /nfs/dbraw/zinc/51/78/08/794517808.db2.gz ODNLNAZKQZLGDJ-UHFFFAOYSA-N 1 0 331.413 -1.271 20 0 EAADRO C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CNC(=O)C1 ZINC001227663362 794518297 /nfs/dbraw/zinc/51/82/97/794518297.db2.gz UANWILFCWKXHMV-FCHSOHFDSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CNC(=O)C1 ZINC001227663363 794518366 /nfs/dbraw/zinc/51/83/66/794518366.db2.gz UANWILFCWKXHMV-IQMDTDKHSA-N 1 0 339.396 -1.276 20 0 EAADRO O=C(CN1CCCS1(=O)=O)NC1CC[NH+](CCOCCO)CC1 ZINC001227668692 794518261 /nfs/dbraw/zinc/51/82/61/794518261.db2.gz ADVVEEVCNUCRSI-UHFFFAOYSA-N 1 0 349.453 -1.389 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001227668992 794517826 /nfs/dbraw/zinc/51/78/26/794517826.db2.gz HMEUCCJVAGDSEH-CYBMUJFWSA-N 1 0 349.453 -1.390 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001227668993 794518181 /nfs/dbraw/zinc/51/81/81/794518181.db2.gz HMEUCCJVAGDSEH-ZDUSSCGKSA-N 1 0 349.453 -1.390 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001227669279 794517980 /nfs/dbraw/zinc/51/79/80/794517980.db2.gz NSPLFMVRXKNFSX-UHFFFAOYSA-N 1 0 339.396 -1.355 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001227669556 794518043 /nfs/dbraw/zinc/51/80/43/794518043.db2.gz VXSIEXJWWCOQBG-CYBMUJFWSA-N 1 0 338.412 -1.246 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001227669558 794518469 /nfs/dbraw/zinc/51/84/69/794518469.db2.gz VXSIEXJWWCOQBG-ZDUSSCGKSA-N 1 0 338.412 -1.246 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001227684369 794518586 /nfs/dbraw/zinc/51/85/86/794518586.db2.gz DWBWWLFUKOGJDX-UHFFFAOYSA-N 1 0 349.457 -1.613 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001227684486 794517384 /nfs/dbraw/zinc/51/73/84/794517384.db2.gz GYEFEDOIHOUUDK-UHFFFAOYSA-N 1 0 326.401 -1.479 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001227684502 794517361 /nfs/dbraw/zinc/51/73/61/794517361.db2.gz HEEHNLFWGBDYBV-CYBMUJFWSA-N 1 0 346.428 -1.480 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC001227684505 794518291 /nfs/dbraw/zinc/51/82/91/794518291.db2.gz HEEHNLFWGBDYBV-ZDUSSCGKSA-N 1 0 346.428 -1.480 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001227684617 794517879 /nfs/dbraw/zinc/51/78/79/794517879.db2.gz IRBFNQNTBPITRA-UHFFFAOYSA-N 1 0 340.384 -1.952 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+](CCOCCNC(C)=O)CC1 ZINC001227684884 794518161 /nfs/dbraw/zinc/51/81/61/794518161.db2.gz MRURCDDGGUADOA-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001227685164 794518207 /nfs/dbraw/zinc/51/82/07/794518207.db2.gz UGNDKPOSROVKSO-JTQLQIEISA-N 1 0 325.369 -1.699 20 0 EAADRO CNC(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001227685167 794518061 /nfs/dbraw/zinc/51/80/61/794518061.db2.gz UGNDKPOSROVKSO-SNVBAGLBSA-N 1 0 325.369 -1.699 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001227712036 794518580 /nfs/dbraw/zinc/51/85/80/794518580.db2.gz CARYQMISKUICOR-IJLUTSLNSA-N 1 0 338.412 -1.137 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001227712040 794517576 /nfs/dbraw/zinc/51/75/76/794517576.db2.gz CARYQMISKUICOR-QJPTWQEYSA-N 1 0 338.412 -1.137 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001227713539 794518235 /nfs/dbraw/zinc/51/82/35/794518235.db2.gz QPDQAFWSNNZZRF-VXGBXAGGSA-N 1 0 338.412 -1.265 20 0 EAADRO CCC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)S(N)(=O)=O ZINC001227727661 794518091 /nfs/dbraw/zinc/51/80/91/794518091.db2.gz GVKOOXRIGMCQIH-GMTAPVOTSA-N 1 0 334.442 -1.054 20 0 EAADRO CCC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)S(N)(=O)=O ZINC001227727664 794518543 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349.457 -1.679 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC ZINC001227742240 794517728 /nfs/dbraw/zinc/51/77/28/794517728.db2.gz NKPRIQOCAFDPDI-NXEZZACHSA-N 1 0 335.430 -2.197 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001227742845 794517421 /nfs/dbraw/zinc/51/74/21/794517421.db2.gz YCVFPDPXJOWSIM-GMTAPVOTSA-N 1 0 347.441 -2.054 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001227742857 794518398 /nfs/dbraw/zinc/51/83/98/794518398.db2.gz YCVFPDPXJOWSIM-MXWKQRLJSA-N 1 0 347.441 -2.054 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC ZINC001227742861 794517318 /nfs/dbraw/zinc/51/73/18/794517318.db2.gz YDDRHEGMPWGVRG-GMTAPVOTSA-N 1 0 349.457 -1.808 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC ZINC001227742870 794517919 /nfs/dbraw/zinc/51/79/19/794517919.db2.gz YDDRHEGMPWGVRG-HBNTYKKESA-N 1 0 349.457 -1.808 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC ZINC001227743006 794518526 /nfs/dbraw/zinc/51/85/26/794518526.db2.gz ZHBWRNSUOAGCAA-GHMZBOCLSA-N 1 0 349.457 -1.807 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CCOCC2=O)CC1 ZINC001227826142 794519811 /nfs/dbraw/zinc/51/98/11/794519811.db2.gz WSIGMBRVFXEGHM-CYBMUJFWSA-N 1 0 329.397 -1.567 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CCOCC2=O)CC1 ZINC001227826143 794519824 /nfs/dbraw/zinc/51/98/24/794519824.db2.gz WSIGMBRVFXEGHM-ZDUSSCGKSA-N 1 0 329.397 -1.567 20 0 EAADRO O=C(CN1CCOCC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001227826157 794519603 /nfs/dbraw/zinc/51/96/03/794519603.db2.gz XBOPFJJDFWKQDP-UHFFFAOYSA-N 1 0 329.397 -1.565 20 0 EAADRO COCCOCC[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001227849002 794519326 /nfs/dbraw/zinc/51/93/26/794519326.db2.gz HQGXNLVIVFDSBU-LBPRGKRZSA-N 1 0 342.396 -1.172 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001227849287 794519058 /nfs/dbraw/zinc/51/90/58/794519058.db2.gz ODSANLLRIQHNDA-MNOVXSKESA-N 1 0 328.369 -1.828 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001227849288 794520106 /nfs/dbraw/zinc/52/01/06/794520106.db2.gz ODSANLLRIQHNDA-QWRGUYRKSA-N 1 0 328.369 -1.828 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001227849391 794519470 /nfs/dbraw/zinc/51/94/70/794519470.db2.gz RPLKZCCIQLXQIU-NSHDSACASA-N 1 0 328.369 -1.826 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001227907278 794520386 /nfs/dbraw/zinc/52/03/86/794520386.db2.gz MIAPKDYWRWEUNS-BFHYXJOUSA-N 1 0 342.440 -1.558 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001227907279 794519179 /nfs/dbraw/zinc/51/91/79/794519179.db2.gz MIAPKDYWRWEUNS-MGPQQGTHSA-N 1 0 342.440 -1.558 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001227907721 794519832 /nfs/dbraw/zinc/51/98/32/794519832.db2.gz NLHGBSIAEOFXTL-JHJVBQTASA-N 1 0 339.440 -1.430 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001227907724 794520150 /nfs/dbraw/zinc/52/01/50/794520150.db2.gz NLHGBSIAEOFXTL-YNEHKIRRSA-N 1 0 339.440 -1.430 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001227908198 794519337 /nfs/dbraw/zinc/51/93/37/794519337.db2.gz RFYDCEDWLVERTC-CHWSQXEVSA-N 1 0 339.440 -1.477 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001227908787 794518842 /nfs/dbraw/zinc/51/88/42/794518842.db2.gz WSEIWABKKASGLY-ZIAGYGMSSA-N 1 0 342.440 -1.556 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001227908920 794519225 /nfs/dbraw/zinc/51/92/25/794519225.db2.gz XXAVEJNSJCQRQN-CHWSQXEVSA-N 1 0 339.440 -1.429 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001227908932 794519760 /nfs/dbraw/zinc/51/97/60/794519760.db2.gz YASFEEUGSFTBES-VXGBXAGGSA-N 1 0 325.413 -1.819 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001227916121 794520002 /nfs/dbraw/zinc/52/00/02/794520002.db2.gz LLKHGOGXPXYRDD-UHFFFAOYSA-N 1 0 339.396 -1.370 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)C(C)(C)C(N)=O)CC1)S(C)(=O)=O ZINC001227916927 794520120 /nfs/dbraw/zinc/52/01/20/794520120.db2.gz WYOBNLPFXGOGMA-UHFFFAOYSA-N 1 0 348.469 -1.030 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001227932748 794521662 /nfs/dbraw/zinc/52/16/62/794521662.db2.gz CBDVQEMDUVHIPQ-IJLUTSLNSA-N 1 0 346.453 -1.311 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001227932764 794521238 /nfs/dbraw/zinc/52/12/38/794521238.db2.gz CBDVQEMDUVHIPQ-QJPTWQEYSA-N 1 0 346.453 -1.311 20 0 EAADRO Cn1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)c[nH]c1=O ZINC001227932855 794521328 /nfs/dbraw/zinc/52/13/28/794521328.db2.gz CWJBRHVSRFVFDU-RKDXNWHRSA-N 1 0 338.368 -1.049 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001227934038 794520880 /nfs/dbraw/zinc/52/08/80/794520880.db2.gz SPWQTEYOXTWHTF-IVZWLZJFSA-N 1 0 325.369 -1.666 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001227934039 794521922 /nfs/dbraw/zinc/52/19/22/794521922.db2.gz SPWQTEYOXTWHTF-OPRDCNLKSA-N 1 0 325.369 -1.666 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001227939913 794521509 /nfs/dbraw/zinc/52/15/09/794521509.db2.gz DIWGGJFPHLCCTC-GMTAPVOTSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001227939944 794521858 /nfs/dbraw/zinc/52/18/58/794521858.db2.gz DIWGGJFPHLCCTC-HBNTYKKESA-N 1 0 339.396 -1.405 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)NC1=O ZINC001227941486 794521281 /nfs/dbraw/zinc/52/12/81/794521281.db2.gz WJRRJFSQVHBRJN-BBBLOLIVSA-N 1 0 340.384 -1.778 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)NC1=O ZINC001227941488 794521694 /nfs/dbraw/zinc/52/16/94/794521694.db2.gz WJRRJFSQVHBRJN-OPRDCNLKSA-N 1 0 340.384 -1.778 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227948687 794521545 /nfs/dbraw/zinc/52/15/45/794521545.db2.gz FMZUUOAFBIRPNC-IVZWLZJFSA-N 1 0 327.385 -1.290 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227948689 794521467 /nfs/dbraw/zinc/52/14/67/794521467.db2.gz FMZUUOAFBIRPNC-OPRDCNLKSA-N 1 0 327.385 -1.290 20 0 EAADRO C[C@@H]1CN(C)C[C@H](C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)O1 ZINC001227954690 794521164 /nfs/dbraw/zinc/52/11/64/794521164.db2.gz XCRHNXXCRQEGHQ-ZYHUDNBSSA-N 1 0 341.412 -1.519 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228000034 794521830 /nfs/dbraw/zinc/52/18/30/794521830.db2.gz MWXGGLIMDRNLLQ-MXWKQRLJSA-N 1 0 339.396 -1.181 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)n1 ZINC001228000080 794521813 /nfs/dbraw/zinc/52/18/13/794521813.db2.gz NNJDYMHIKDOKST-RKDXNWHRSA-N 1 0 338.372 -1.704 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)n1 ZINC001228000100 794520972 /nfs/dbraw/zinc/52/09/72/794520972.db2.gz OBMUPYNVNJZXEO-NXEZZACHSA-N 1 0 330.414 -1.115 20 0 EAADRO CCOCC[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228032030 794520838 /nfs/dbraw/zinc/52/08/38/794520838.db2.gz AAQIWNBSBFQBCO-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO CO[C@H](C)C[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228032541 794521641 /nfs/dbraw/zinc/52/16/41/794521641.db2.gz GTIPKCBHQXIRMH-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO CO[C@@H](C)C[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228032542 794521211 /nfs/dbraw/zinc/52/12/11/794521211.db2.gz GTIPKCBHQXIRMH-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001228032637 794521267 /nfs/dbraw/zinc/52/12/67/794521267.db2.gz JSNHAAGANRTGRW-UHFFFAOYSA-N 1 0 344.412 -2.172 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228032652 794522564 /nfs/dbraw/zinc/52/25/64/794522564.db2.gz JWVGAGCGJWYISS-JTQLQIEISA-N 1 0 341.412 -2.046 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228032654 794523156 /nfs/dbraw/zinc/52/31/56/794523156.db2.gz JWVGAGCGJWYISS-SNVBAGLBSA-N 1 0 341.412 -2.046 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228032934 794523168 /nfs/dbraw/zinc/52/31/68/794523168.db2.gz OJHMRBOVHTXQTM-CYBMUJFWSA-N 1 0 344.412 -2.173 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228032955 794522317 /nfs/dbraw/zinc/52/23/17/794522317.db2.gz OJHMRBOVHTXQTM-ZDUSSCGKSA-N 1 0 344.412 -2.173 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NC1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001228033077 794523324 /nfs/dbraw/zinc/52/33/24/794523324.db2.gz QOYMCFZCPBOKDT-GFCCVEGCSA-N 1 0 342.440 -1.020 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)NC1CC[NH+](CCC[C@H](C)O)CC1 ZINC001228033104 794522823 /nfs/dbraw/zinc/52/28/23/794522823.db2.gz QOYMCFZCPBOKDT-LBPRGKRZSA-N 1 0 342.440 -1.020 20 0 EAADRO COC[C@@H](C)[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228033114 794523421 /nfs/dbraw/zinc/52/34/21/794523421.db2.gz RCCUVMGYBDOFNN-LLVKDONJSA-N 1 0 328.413 -1.146 20 0 EAADRO COC[C@H](C)[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228033115 794522696 /nfs/dbraw/zinc/52/26/96/794522696.db2.gz RCCUVMGYBDOFNN-NSHDSACASA-N 1 0 328.413 -1.146 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228033168 794523410 /nfs/dbraw/zinc/52/34/10/794523410.db2.gz VFMKBNPLBNXXIM-GFCCVEGCSA-N 1 0 341.412 -1.917 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228033169 794522503 /nfs/dbraw/zinc/52/25/03/794522503.db2.gz VFMKBNPLBNXXIM-LBPRGKRZSA-N 1 0 341.412 -1.917 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228033438 794523105 /nfs/dbraw/zinc/52/31/05/794523105.db2.gz XSOZXBWEYLSQES-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)n1)C(=O)NC(N)=O ZINC001228041962 794522905 /nfs/dbraw/zinc/52/29/05/794522905.db2.gz BLUVIVNAWALZHD-DJLDLDEBSA-N 1 0 338.372 -1.576 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)n1)C(=O)NC(N)=O ZINC001228041966 794523451 /nfs/dbraw/zinc/52/34/51/794523451.db2.gz BLUVIVNAWALZHD-IWSPIJDZSA-N 1 0 338.372 -1.576 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)n1 ZINC001228042806 794522741 /nfs/dbraw/zinc/52/27/41/794522741.db2.gz MUSDWBCKOGVOTM-NXEZZACHSA-N 1 0 345.429 -1.610 20 0 EAADRO CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1=O ZINC001228070794 794523396 /nfs/dbraw/zinc/52/33/96/794523396.db2.gz YUURVNZOIZUBSO-GMTAPVOTSA-N 1 0 339.396 -1.323 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1=O ZINC001228070795 794523376 /nfs/dbraw/zinc/52/33/76/794523376.db2.gz YUURVNZOIZUBSO-HBNTYKKESA-N 1 0 339.396 -1.323 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001228074436 794522647 /nfs/dbraw/zinc/52/26/47/794522647.db2.gz ITQRTGDEQGQQMK-AWEZNQCLSA-N 1 0 342.440 -1.652 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001228074448 794523464 /nfs/dbraw/zinc/52/34/64/794523464.db2.gz ITQRTGDEQGQQMK-CQSZACIVSA-N 1 0 342.440 -1.652 20 0 EAADRO CN1CCN(CC(=O)NC2CC[NH+](CCOCCO)CC2)CC1=O ZINC001228075870 794523249 /nfs/dbraw/zinc/52/32/49/794523249.db2.gz UBDKYOQIUVFHLZ-UHFFFAOYSA-N 1 0 342.440 -1.650 20 0 EAADRO Cn1cnn(CC(=O)NC2CC[NH+](CCOCCO)CC2)c1=O ZINC001228087324 794523005 /nfs/dbraw/zinc/52/30/05/794523005.db2.gz DWNWKJMEXYTJSG-UHFFFAOYSA-N 1 0 327.385 -1.829 20 0 EAADRO COCCOCC[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001228088549 794523270 /nfs/dbraw/zinc/52/32/70/794523270.db2.gz OKBSLKRFHBMIRL-UHFFFAOYSA-N 1 0 341.412 -1.175 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001228088581 794523546 /nfs/dbraw/zinc/52/35/46/794523546.db2.gz PJUCKISJAWQURW-GFCCVEGCSA-N 1 0 327.385 -1.830 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001228088582 794523522 /nfs/dbraw/zinc/52/35/22/794523522.db2.gz PJUCKISJAWQURW-LBPRGKRZSA-N 1 0 327.385 -1.830 20 0 EAADRO O=C(NCC(F)F)C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001228123985 794525167 /nfs/dbraw/zinc/52/51/67/794525167.db2.gz NSNAQIWBTVHDTL-SECBINFHSA-N 1 0 346.334 -1.247 20 0 EAADRO O=C(NCC(F)F)C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001228123998 794525156 /nfs/dbraw/zinc/52/51/56/794525156.db2.gz NSNAQIWBTVHDTL-VIFPVBQESA-N 1 0 346.334 -1.247 20 0 EAADRO O=C(NCC(F)F)C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001228124588 794524368 /nfs/dbraw/zinc/52/43/68/794524368.db2.gz UYQIRGANBCKBAM-UHFFFAOYSA-N 1 0 347.366 -1.027 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228144635 794524296 /nfs/dbraw/zinc/52/42/96/794524296.db2.gz MWXGGLIMDRNLLQ-GMTAPVOTSA-N 1 0 339.396 -1.181 20 0 EAADRO O=C(CN1CCCNC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001228156105 794525303 /nfs/dbraw/zinc/52/53/03/794525303.db2.gz DHJLAZXJXQNPJJ-UHFFFAOYSA-N 1 0 328.413 -1.009 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CCCNC2=O)CC1 ZINC001228156472 794524791 /nfs/dbraw/zinc/52/47/91/794524791.db2.gz LFJFOYUXLKODMU-CYBMUJFWSA-N 1 0 328.413 -1.010 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CCCNC2=O)CC1 ZINC001228156475 794524988 /nfs/dbraw/zinc/52/49/88/794524988.db2.gz LFJFOYUXLKODMU-ZDUSSCGKSA-N 1 0 328.413 -1.010 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001228175919 794524253 /nfs/dbraw/zinc/52/42/53/794524253.db2.gz LUYHTVLDJHKMEY-UHFFFAOYSA-N 1 0 340.380 -1.462 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001228180960 794524220 /nfs/dbraw/zinc/52/42/20/794524220.db2.gz MUDYFTSBZVKJDX-GFCCVEGCSA-N 1 0 340.380 -1.463 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001228180963 794524074 /nfs/dbraw/zinc/52/40/74/794524074.db2.gz MUDYFTSBZVKJDX-LBPRGKRZSA-N 1 0 340.380 -1.463 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001228215513 794524417 /nfs/dbraw/zinc/52/44/17/794524417.db2.gz HIRHRBSDLPHYTC-RKDXNWHRSA-N 1 0 336.352 -1.405 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228260947 794526288 /nfs/dbraw/zinc/52/62/88/794526288.db2.gz HEHDJFQWEQVIQJ-GMTAPVOTSA-N 1 0 332.426 -1.271 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228260960 794526560 /nfs/dbraw/zinc/52/65/60/794526560.db2.gz HEHDJFQWEQVIQJ-MXWKQRLJSA-N 1 0 332.426 -1.271 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228261372 794525902 /nfs/dbraw/zinc/52/59/02/794525902.db2.gz KBQRFQDYYINMLJ-HLTSFMKQSA-N 1 0 326.357 -2.120 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228261378 794526223 /nfs/dbraw/zinc/52/62/23/794526223.db2.gz KBQRFQDYYINMLJ-IWSPIJDZSA-N 1 0 326.357 -2.120 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228261676 794526042 /nfs/dbraw/zinc/52/60/42/794526042.db2.gz LWYKEOMZHQONOH-BBBLOLIVSA-N 1 0 340.384 -1.860 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228261687 794526250 /nfs/dbraw/zinc/52/62/50/794526250.db2.gz LWYKEOMZHQONOH-OPRDCNLKSA-N 1 0 340.384 -1.860 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228262236 794526029 /nfs/dbraw/zinc/52/60/29/794526029.db2.gz RUTFFUNBBNICFY-GMTAPVOTSA-N 1 0 347.441 -1.766 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228262260 794526412 /nfs/dbraw/zinc/52/64/12/794526412.db2.gz RUTFFUNBBNICFY-MXWKQRLJSA-N 1 0 347.441 -1.766 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001228277130 794526169 /nfs/dbraw/zinc/52/61/69/794526169.db2.gz DTRWRMSAEKACBJ-IJLUTSLNSA-N 1 0 346.453 -1.039 20 0 EAADRO NS(=O)(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001228277471 794526682 /nfs/dbraw/zinc/52/66/82/794526682.db2.gz DTRWRMSAEKACBJ-UTUOFQBUSA-N 1 0 346.453 -1.039 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228277479 794526110 /nfs/dbraw/zinc/52/61/10/794526110.db2.gz DWPJLSJNMJORGN-NXEZZACHSA-N 1 0 327.385 -1.276 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001228277996 794525697 /nfs/dbraw/zinc/52/56/97/794525697.db2.gz JICWVHORKIFCFZ-NXEZZACHSA-N 1 0 325.369 -1.523 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228278032 794525711 /nfs/dbraw/zinc/52/57/11/794525711.db2.gz KJUGIYXGQFQUAK-GHMZBOCLSA-N 1 0 334.442 -1.182 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001228278034 794526619 /nfs/dbraw/zinc/52/66/19/794526619.db2.gz KMOJXJKQRMOWLR-GHMZBOCLSA-N 1 0 334.442 -1.182 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001228278114 794526237 /nfs/dbraw/zinc/52/62/37/794526237.db2.gz MGURFQYYIGKWNI-HTQZYQBOSA-N 1 0 326.382 -1.021 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001228278751 794525918 /nfs/dbraw/zinc/52/59/18/794525918.db2.gz ULJLTOMZVDXMLS-QJPTWQEYSA-N 1 0 326.397 -1.528 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001228278828 794526034 /nfs/dbraw/zinc/52/60/34/794526034.db2.gz WFPUPBNPCUUZOF-IJLUTSLNSA-N 1 0 326.397 -1.216 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001228278831 794526592 /nfs/dbraw/zinc/52/65/92/794526592.db2.gz WFPUPBNPCUUZOF-QJPTWQEYSA-N 1 0 326.397 -1.216 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O)C(N)=O ZINC001228287365 794526198 /nfs/dbraw/zinc/52/61/98/794526198.db2.gz DDUIEMMYSAPMDQ-GMTAPVOTSA-N 1 0 334.442 -1.054 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O)C(N)=O ZINC001228287367 794526145 /nfs/dbraw/zinc/52/61/45/794526145.db2.gz DDUIEMMYSAPMDQ-HBNTYKKESA-N 1 0 334.442 -1.054 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1)C(=O)NC(N)=O ZINC001228287712 794526541 /nfs/dbraw/zinc/52/65/41/794526541.db2.gz IHBDXMNWYPTEAS-IVZWLZJFSA-N 1 0 339.396 -1.148 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1)C(=O)NC(N)=O ZINC001228287717 794526552 /nfs/dbraw/zinc/52/65/52/794526552.db2.gz IHBDXMNWYPTEAS-OPRDCNLKSA-N 1 0 339.396 -1.148 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)N(C)C ZINC001228295371 794526270 /nfs/dbraw/zinc/52/62/70/794526270.db2.gz GWDBJVPYLJJRSB-GMTAPVOTSA-N 1 0 341.412 -1.918 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)N(C)C ZINC001228295372 794526102 /nfs/dbraw/zinc/52/61/02/794526102.db2.gz GWDBJVPYLJJRSB-HBNTYKKESA-N 1 0 341.412 -1.918 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001228296248 794526500 /nfs/dbraw/zinc/52/65/00/794526500.db2.gz SAISKEXWFSGREA-IJLUTSLNSA-N 1 0 326.397 -1.359 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001228296249 794525524 /nfs/dbraw/zinc/52/55/24/794525524.db2.gz SAISKEXWFSGREA-QJPTWQEYSA-N 1 0 326.397 -1.359 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)NC(=O)NC1CC1 ZINC001228296571 794526482 /nfs/dbraw/zinc/52/64/82/794526482.db2.gz WKRILNBFJGQWCT-FBIMIBRVSA-N 1 0 339.396 -1.135 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)NC(=O)NC1CC1 ZINC001228296585 794525561 /nfs/dbraw/zinc/52/55/61/794525561.db2.gz WKRILNBFJGQWCT-JMJZKYOTSA-N 1 0 339.396 -1.135 20 0 EAADRO COC(=O)NCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001228308987 794526335 /nfs/dbraw/zinc/52/63/35/794526335.db2.gz FBRAUTDNWBZHTF-SMDDNHRTSA-N 1 0 330.385 -1.133 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001228312062 794525758 /nfs/dbraw/zinc/52/57/58/794525758.db2.gz AWOQLDHWKPPGTE-NXEZZACHSA-N 1 0 339.396 -1.276 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001228313106 794526081 /nfs/dbraw/zinc/52/60/81/794526081.db2.gz TUPOJMWCJDKLGI-RKDXNWHRSA-N 1 0 325.369 -1.536 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C(N)=O)CC2)nc1=O ZINC001228313117 794525983 /nfs/dbraw/zinc/52/59/83/794525983.db2.gz TZDYQVKNNRFPMS-NXEZZACHSA-N 1 0 336.396 -1.109 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228320845 794526120 /nfs/dbraw/zinc/52/61/20/794526120.db2.gz SSTBXDVZTWPLQL-IVZWLZJFSA-N 1 0 327.385 -1.277 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228320850 794526704 /nfs/dbraw/zinc/52/67/04/794526704.db2.gz SSTBXDVZTWPLQL-OPRDCNLKSA-N 1 0 327.385 -1.277 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001228320915 794526242 /nfs/dbraw/zinc/52/62/42/794526242.db2.gz UWQURVKABBOARP-VXGBXAGGSA-N 1 0 326.397 -1.216 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)[nH]c1=O ZINC001228355401 794526274 /nfs/dbraw/zinc/52/62/74/794526274.db2.gz MXJOWJSASISFBT-RKDXNWHRSA-N 1 0 338.368 -1.049 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001228394145 794526200 /nfs/dbraw/zinc/52/62/00/794526200.db2.gz ITMWJHFLHSNNCU-LBPRGKRZSA-N 1 0 347.437 -1.483 20 0 EAADRO C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CCC(=O)N1 ZINC001228418920 794525852 /nfs/dbraw/zinc/52/58/52/794525852.db2.gz QXTZLYHTCIMAQH-FCHSOHFDSA-N 1 0 339.396 -1.133 20 0 EAADRO Cn1cnn(CCC(=O)NC2CC[NH+](CCn3cncn3)CC2)c1=O ZINC001228448236 794526452 /nfs/dbraw/zinc/52/64/52/794526452.db2.gz ANWUITSNSBFXJM-UHFFFAOYSA-N 1 0 348.411 -1.156 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448254 794526246 /nfs/dbraw/zinc/52/62/46/794526246.db2.gz AWALFWGPCDVMAR-CYBMUJFWSA-N 1 0 341.412 -1.440 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448256 794526575 /nfs/dbraw/zinc/52/65/75/794526575.db2.gz AWALFWGPCDVMAR-ZDUSSCGKSA-N 1 0 341.412 -1.440 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448585 794527270 /nfs/dbraw/zinc/52/72/70/794527270.db2.gz MAIREDPDVDFVJI-LLVKDONJSA-N 1 0 338.412 -1.313 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448586 794527291 /nfs/dbraw/zinc/52/72/91/794527291.db2.gz MAIREDPDVDFVJI-NSHDSACASA-N 1 0 338.412 -1.313 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448810 794527600 /nfs/dbraw/zinc/52/76/00/794527600.db2.gz PWRQORJSOARFCO-GFCCVEGCSA-N 1 0 338.412 -1.184 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448811 794527792 /nfs/dbraw/zinc/52/77/92/794527792.db2.gz PWRQORJSOARFCO-LBPRGKRZSA-N 1 0 338.412 -1.184 20 0 EAADRO Cn1cnn(CCC(=O)NC2CC[NH+](CCOCCO)CC2)c1=O ZINC001228448847 794527260 /nfs/dbraw/zinc/52/72/60/794527260.db2.gz RSBHXKSHCNBZPB-UHFFFAOYSA-N 1 0 341.412 -1.439 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001228456556 794527614 /nfs/dbraw/zinc/52/76/14/794527614.db2.gz AZUXHNXJXWXYIF-LLVKDONJSA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001228456566 794527310 /nfs/dbraw/zinc/52/73/10/794527310.db2.gz AZUXHNXJXWXYIF-NSHDSACASA-N 1 0 347.441 -2.149 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001228456660 794527835 /nfs/dbraw/zinc/52/78/35/794527835.db2.gz CYEHKMUQGQNQEB-LLVKDONJSA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001228456663 794527300 /nfs/dbraw/zinc/52/73/00/794527300.db2.gz CYEHKMUQGQNQEB-NSHDSACASA-N 1 0 334.442 -1.343 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001228457080 794527075 /nfs/dbraw/zinc/52/70/75/794527075.db2.gz JTFGIUJIBUPZTN-LLVKDONJSA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](C[C@H](O)COC)CC1 ZINC001228457084 794527127 /nfs/dbraw/zinc/52/71/27/794527127.db2.gz JTFGIUJIBUPZTN-NSHDSACASA-N 1 0 338.430 -2.372 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001228457118 794527538 /nfs/dbraw/zinc/52/75/38/794527538.db2.gz KJCPYDZSVHUXGQ-UHFFFAOYSA-N 1 0 338.430 -2.370 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC001228457123 794527876 /nfs/dbraw/zinc/52/78/76/794527876.db2.gz KOKWAZGRXFGZID-JTQLQIEISA-N 1 0 335.430 -2.115 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC001228457130 794527886 /nfs/dbraw/zinc/52/78/86/794527886.db2.gz KOKWAZGRXFGZID-SNVBAGLBSA-N 1 0 335.430 -2.115 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001228457257 794527251 /nfs/dbraw/zinc/52/72/51/794527251.db2.gz NAGKHSQXWRKTKT-UHFFFAOYSA-N 1 0 345.429 -2.088 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001228457321 794527330 /nfs/dbraw/zinc/52/73/30/794527330.db2.gz OOMBKGJJMOAMSY-UHFFFAOYSA-N 1 0 344.441 -1.483 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001228457644 794527842 /nfs/dbraw/zinc/52/78/42/794527842.db2.gz VDQXOLYYZLMWMR-UHFFFAOYSA-N 1 0 344.441 -1.446 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001228457670 794527103 /nfs/dbraw/zinc/52/71/03/794527103.db2.gz WPCBTXOUFOGEOO-JTQLQIEISA-N 1 0 349.457 -1.903 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001228457671 794527505 /nfs/dbraw/zinc/52/75/05/794527505.db2.gz WPCBTXOUFOGEOO-SNVBAGLBSA-N 1 0 349.457 -1.903 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC001228457673 794527516 /nfs/dbraw/zinc/52/75/16/794527516.db2.gz WQBYWFWXOGTJQU-SECBINFHSA-N 1 0 335.430 -2.245 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC001228457674 794527203 /nfs/dbraw/zinc/52/72/03/794527203.db2.gz WQBYWFWXOGTJQU-VIFPVBQESA-N 1 0 335.430 -2.245 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001228457679 794527738 /nfs/dbraw/zinc/52/77/38/794527738.db2.gz XGCKBTJLFATZKE-LLVKDONJSA-N 1 0 336.458 -1.218 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CCC[C@H](C)O)CC1 ZINC001228457680 794527936 /nfs/dbraw/zinc/52/79/36/794527936.db2.gz XGCKBTJLFATZKE-NSHDSACASA-N 1 0 336.458 -1.218 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001228457812 794527895 /nfs/dbraw/zinc/52/78/95/794527895.db2.gz ZRQSICVOGZRYDD-LLVKDONJSA-N 1 0 347.441 -2.101 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001228457815 794527011 /nfs/dbraw/zinc/52/70/11/794527011.db2.gz ZRQSICVOGZRYDD-NSHDSACASA-N 1 0 347.441 -2.101 20 0 EAADRO COC[C@@H](OC)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O 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EAADRO COCCOCC[NH+]1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001228569545 794529034 /nfs/dbraw/zinc/52/90/34/794529034.db2.gz PYPKIHLKPBJERM-UHFFFAOYSA-N 1 0 342.440 -1.338 20 0 EAADRO C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CCNC1=O ZINC001228574674 794528852 /nfs/dbraw/zinc/52/88/52/794528852.db2.gz IDHFSSPZBITEND-FCHSOHFDSA-N 1 0 339.396 -1.276 20 0 EAADRO C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CCNC1=O ZINC001228574679 794529326 /nfs/dbraw/zinc/52/93/26/794529326.db2.gz IDHFSSPZBITEND-IQMDTDKHSA-N 1 0 339.396 -1.276 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228576648 794528761 /nfs/dbraw/zinc/52/87/61/794528761.db2.gz YVBQDBAOOYIMFK-WISYIIOYSA-N 1 0 326.397 -1.218 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1)S(C)(=O)=O ZINC001228595838 794530225 /nfs/dbraw/zinc/53/02/25/794530225.db2.gz AMQTVLJGBZESGX-GFCCVEGCSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1)S(C)(=O)=O ZINC001228595847 794530373 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COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001228597129 794530663 /nfs/dbraw/zinc/53/06/63/794530663.db2.gz PQXNCILSAZYXIW-ZIAGYGMSSA-N 1 0 343.424 -1.273 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001228607478 794530714 /nfs/dbraw/zinc/53/07/14/794530714.db2.gz MXFYLWHYYIKXQL-LLVKDONJSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001228607479 794530238 /nfs/dbraw/zinc/53/02/38/794530238.db2.gz MXFYLWHYYIKXQL-NSHDSACASA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001228613222 794529540 /nfs/dbraw/zinc/52/95/40/794529540.db2.gz CHPPODPJFCRKKJ-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001228613224 794529901 /nfs/dbraw/zinc/52/99/01/794529901.db2.gz CHPPODPJFCRKKJ-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001228617881 794529928 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CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229151135 794535409 /nfs/dbraw/zinc/53/54/09/794535409.db2.gz PXVMAEYMPZSBQB-IJLUTSLNSA-N 1 0 341.412 -1.741 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229151139 794535167 /nfs/dbraw/zinc/53/51/67/794535167.db2.gz PXVMAEYMPZSBQB-UTUOFQBUSA-N 1 0 341.412 -1.741 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001229151189 794535737 /nfs/dbraw/zinc/53/57/37/794535737.db2.gz QUNKYQYPDMETGT-GHMZBOCLSA-N 1 0 337.380 -1.571 20 0 EAADRO C[C@H](CNC(=O)NCCCCS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC001229168749 794535755 /nfs/dbraw/zinc/53/57/55/794535755.db2.gz BWBOYAUVQNQCHV-GFCCVEGCSA-N 1 0 335.474 -1.010 20 0 EAADRO C[C@@H](CNC(=O)NCCCCS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC001229168750 794535835 /nfs/dbraw/zinc/53/58/35/794535835.db2.gz BWBOYAUVQNQCHV-LBPRGKRZSA-N 1 0 335.474 -1.010 20 0 EAADRO C[C@@H](NC(=O)NCCCCS(N)(=O)=O)[C@@H]1C[N@H+](C)CCN1C ZINC001229170120 794536147 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EAADRO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001229174732 794536103 /nfs/dbraw/zinc/53/61/03/794536103.db2.gz RYQHQSOOOPELQY-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229174772 794535570 /nfs/dbraw/zinc/53/55/70/794535570.db2.gz UCYWOAWHDPORQC-VXGBXAGGSA-N 1 0 342.396 -1.436 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001229175114 794535725 /nfs/dbraw/zinc/53/57/25/794535725.db2.gz YJEMSLUSVNICNO-IJLUTSLNSA-N 1 0 342.396 -1.438 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001229175115 794535739 /nfs/dbraw/zinc/53/57/39/794535739.db2.gz YJEMSLUSVNICNO-QJPTWQEYSA-N 1 0 342.396 -1.438 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCOCCO)CC2)O1 ZINC001229178786 794536075 /nfs/dbraw/zinc/53/60/75/794536075.db2.gz XZAAJUIJTJHADJ-QWHCGFSZSA-N 1 0 329.397 -1.391 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001229178837 794535890 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325.413 -1.040 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 ZINC001229184751 794534938 /nfs/dbraw/zinc/53/49/38/794534938.db2.gz BAZKHOKJSWBNMQ-PWSUYJOCSA-N 1 0 325.413 -1.040 20 0 EAADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 ZINC001229184753 794535949 /nfs/dbraw/zinc/53/59/49/794535949.db2.gz BAZKHOKJSWBNMQ-ZYHUDNBSSA-N 1 0 325.413 -1.040 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001229199637 794535442 /nfs/dbraw/zinc/53/54/42/794535442.db2.gz DDMJYOGCRIWSNT-MCIONIFRSA-N 1 0 343.424 -1.288 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001229199640 794535433 /nfs/dbraw/zinc/53/54/33/794535433.db2.gz DDMJYOGCRIWSNT-MJBXVCDLSA-N 1 0 343.424 -1.288 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1)S(C)(=O)=O ZINC001229200234 794535077 /nfs/dbraw/zinc/53/50/77/794535077.db2.gz LSYIKKFSSUBLHU-NEPJUHHUSA-N 1 0 346.453 -1.420 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001229200717 794537681 /nfs/dbraw/zinc/53/76/81/794537681.db2.gz VXUNIVGWHMIACU-KGLIPLIRSA-N 1 0 340.424 -1.159 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nnc[nH]1 ZINC001229202461 794537202 /nfs/dbraw/zinc/53/72/02/794537202.db2.gz TYKXAAJRSXRHKZ-NXEZZACHSA-N 1 0 330.414 -1.016 20 0 EAADRO O=C(CCc1cn[nH]n1)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001229290469 794537077 /nfs/dbraw/zinc/53/70/77/794537077.db2.gz YJLSYNYIWLSYCY-UHFFFAOYSA-N 1 0 349.395 -1.130 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001229294172 794537312 /nfs/dbraw/zinc/53/73/12/794537312.db2.gz AKDANKANPLTEKL-NXEZZACHSA-N 1 0 338.372 -1.725 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCn2cnnn2)nc1=O ZINC001229295181 794536715 /nfs/dbraw/zinc/53/67/15/794536715.db2.gz MYMZTKJCTWHYRA-GHMZBOCLSA-N 1 0 349.399 -1.298 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001229301165 794537200 /nfs/dbraw/zinc/53/72/00/794537200.db2.gz MCCXREDLIORBIF-IJLUTSLNSA-N 1 0 349.395 -1.115 20 0 EAADRO O=C(CCn1cnnn1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001229301168 794537119 /nfs/dbraw/zinc/53/71/19/794537119.db2.gz MCCXREDLIORBIF-UTUOFQBUSA-N 1 0 349.395 -1.115 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001229355457 794537338 /nfs/dbraw/zinc/53/73/38/794537338.db2.gz AAPHLTFGMTZEGN-LLVKDONJSA-N 1 0 337.442 -1.486 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001229355461 794537627 /nfs/dbraw/zinc/53/76/27/794537627.db2.gz AAPHLTFGMTZEGN-NSHDSACASA-N 1 0 337.442 -1.486 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229355662 794536748 /nfs/dbraw/zinc/53/67/48/794536748.db2.gz IHMGDDDXVYZPTC-CMPLNLGQSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229355663 794537270 /nfs/dbraw/zinc/53/72/70/794537270.db2.gz IHMGDDDXVYZPTC-JQWIXIFHSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001229355664 794537488 /nfs/dbraw/zinc/53/74/88/794537488.db2.gz IHMGDDDXVYZPTC-PWSUYJOCSA-N 1 0 337.442 -1.488 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001229355665 794537449 /nfs/dbraw/zinc/53/74/49/794537449.db2.gz IHMGDDDXVYZPTC-ZYHUDNBSSA-N 1 0 337.442 -1.488 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001229355916 794538336 /nfs/dbraw/zinc/53/83/36/794538336.db2.gz PBIIMKXJQCKWGV-CMPLNLGQSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001229355917 794539202 /nfs/dbraw/zinc/53/92/02/794539202.db2.gz PBIIMKXJQCKWGV-JQWIXIFHSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001229355918 794538499 /nfs/dbraw/zinc/53/84/99/794538499.db2.gz PBIIMKXJQCKWGV-PWSUYJOCSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001229355919 794538933 /nfs/dbraw/zinc/53/89/33/794538933.db2.gz PBIIMKXJQCKWGV-ZYHUDNBSSA-N 1 0 346.453 -1.217 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001229363026 794539236 /nfs/dbraw/zinc/53/92/36/794539236.db2.gz GFLVZWNZFZXCNQ-LLVKDONJSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001229363028 794538819 /nfs/dbraw/zinc/53/88/19/794538819.db2.gz GFLVZWNZFZXCNQ-NSHDSACASA-N 1 0 344.441 -1.204 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001229363085 794539140 /nfs/dbraw/zinc/53/91/40/794539140.db2.gz HXWSTJBHYUPNQM-NXEZZACHSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229363087 794538658 /nfs/dbraw/zinc/53/86/58/794538658.db2.gz HXWSTJBHYUPNQM-UWVGGRQHSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229363088 794538514 /nfs/dbraw/zinc/53/85/14/794538514.db2.gz HXWSTJBHYUPNQM-VHSXEESVSA-N 1 0 334.442 -1.361 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001229363090 794538828 /nfs/dbraw/zinc/53/88/28/794538828.db2.gz HXWSTJBHYUPNQM-ZJUUUORDSA-N 1 0 334.442 -1.361 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001229363536 794538945 /nfs/dbraw/zinc/53/89/45/794538945.db2.gz NAHGBUDTUCTORO-GHMZBOCLSA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001229363540 794538168 /nfs/dbraw/zinc/53/81/68/794538168.db2.gz NAHGBUDTUCTORO-MNOVXSKESA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001229363541 794538769 /nfs/dbraw/zinc/53/87/69/794538769.db2.gz NAHGBUDTUCTORO-QWRGUYRKSA-N 1 0 348.469 -1.019 20 0 EAADRO C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229363544 794538835 /nfs/dbraw/zinc/53/88/35/794538835.db2.gz NAHGBUDTUCTORO-WDEREUQCSA-N 1 0 348.469 -1.019 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229363641 794538221 /nfs/dbraw/zinc/53/82/21/794538221.db2.gz QALFCQXWPFCGNQ-GXSJLCMTSA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001229363643 794538308 /nfs/dbraw/zinc/53/83/08/794538308.db2.gz QALFCQXWPFCGNQ-KOLCDFICSA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001229363644 794538889 /nfs/dbraw/zinc/53/88/89/794538889.db2.gz QALFCQXWPFCGNQ-MWLCHTKSSA-N 1 0 334.442 -1.231 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229363645 794538100 /nfs/dbraw/zinc/53/81/00/794538100.db2.gz QALFCQXWPFCGNQ-ONGXEEELSA-N 1 0 334.442 -1.231 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001229363830 794538415 /nfs/dbraw/zinc/53/84/15/794538415.db2.gz QSNUERFWYZWOTI-CMPLNLGQSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001229363838 794538694 /nfs/dbraw/zinc/53/86/94/794538694.db2.gz QSNUERFWYZWOTI-JQWIXIFHSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001229363840 794538474 /nfs/dbraw/zinc/53/84/74/794538474.db2.gz QSNUERFWYZWOTI-PWSUYJOCSA-N 1 0 346.453 -1.265 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001229363842 794538486 /nfs/dbraw/zinc/53/84/86/794538486.db2.gz QSNUERFWYZWOTI-ZYHUDNBSSA-N 1 0 346.453 -1.265 20 0 EAADRO COCCOCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001229368616 794538040 /nfs/dbraw/zinc/53/80/40/794538040.db2.gz AFNTUAUEFCZTMJ-LBPRGKRZSA-N 1 0 342.396 -1.172 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001229369342 794539152 /nfs/dbraw/zinc/53/91/52/794539152.db2.gz LQPTWKMAOAQZJP-MNOVXSKESA-N 1 0 328.369 -1.828 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001229369343 794538859 /nfs/dbraw/zinc/53/88/59/794538859.db2.gz LQPTWKMAOAQZJP-QWRGUYRKSA-N 1 0 328.369 -1.828 20 0 EAADRO O=C(NC1CC[NH+](CCOCCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001229369385 794538872 /nfs/dbraw/zinc/53/88/72/794538872.db2.gz MXDBOYGHCQPQBB-NSHDSACASA-N 1 0 328.369 -1.826 20 0 EAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001229373180 794538905 /nfs/dbraw/zinc/53/89/05/794538905.db2.gz IVBLXNROFWXEGM-GHMZBOCLSA-N 1 0 339.396 -1.276 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229376622 794539073 /nfs/dbraw/zinc/53/90/73/794539073.db2.gz DYDPNKGBJYEYEB-JTQLQIEISA-N 1 0 349.457 -1.903 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229376626 794538128 /nfs/dbraw/zinc/53/81/28/794538128.db2.gz DYDPNKGBJYEYEB-SNVBAGLBSA-N 1 0 349.457 -1.903 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229376675 794538238 /nfs/dbraw/zinc/53/82/38/794538238.db2.gz GOSXVILYLZSTKB-LLVKDONJSA-N 1 0 349.457 -1.773 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229376713 794539162 /nfs/dbraw/zinc/53/91/62/794539162.db2.gz GOSXVILYLZSTKB-NSHDSACASA-N 1 0 349.457 -1.773 20 0 EAADRO CO[C@H](C)C[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229376752 794538379 /nfs/dbraw/zinc/53/83/79/794538379.db2.gz IFBREOIZWUOONI-LLVKDONJSA-N 1 0 336.458 -1.002 20 0 EAADRO CO[C@@H](C)C[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229376753 794538980 /nfs/dbraw/zinc/53/89/80/794538980.db2.gz IFBREOIZWUOONI-NSHDSACASA-N 1 0 336.458 -1.002 20 0 EAADRO COC[C@@H](C)[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229384193 794538265 /nfs/dbraw/zinc/53/82/65/794538265.db2.gz CCMDQEQCUQNFCG-LLVKDONJSA-N 1 0 336.458 -1.002 20 0 EAADRO COC[C@H](C)[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229384194 794538940 /nfs/dbraw/zinc/53/89/40/794538940.db2.gz CCMDQEQCUQNFCG-NSHDSACASA-N 1 0 336.458 -1.002 20 0 EAADRO CCOCC[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001229384924 794538742 /nfs/dbraw/zinc/53/87/42/794538742.db2.gz MGGJILNXNFYCMC-UHFFFAOYSA-N 1 0 336.458 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001229385354 794538527 /nfs/dbraw/zinc/53/85/27/794538527.db2.gz RTGXYWAOMSOTFK-GFCCVEGCSA-N 1 0 348.469 -1.001 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001229385355 794538855 /nfs/dbraw/zinc/53/88/55/794538855.db2.gz RTGXYWAOMSOTFK-LBPRGKRZSA-N 1 0 348.469 -1.001 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229443440 794538567 /nfs/dbraw/zinc/53/85/67/794538567.db2.gz XSLRFMZDRREPAP-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO COC[C@H](C)[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229475888 794539872 /nfs/dbraw/zinc/53/98/72/794539872.db2.gz CIPQPHUPLMYCMT-GWCFXTLKSA-N 1 0 328.413 -1.018 20 0 EAADRO COC[C@@H](C)[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229475889 794539583 /nfs/dbraw/zinc/53/95/83/794539583.db2.gz CIPQPHUPLMYCMT-MFKMUULPSA-N 1 0 328.413 -1.018 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(N)=O ZINC001229476085 794540107 /nfs/dbraw/zinc/54/01/07/794540107.db2.gz GEICTEFGAGAIFV-JSGCOSHPSA-N 1 0 340.424 -1.016 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(N)=O ZINC001229476086 794539645 /nfs/dbraw/zinc/53/96/45/794539645.db2.gz GEICTEFGAGAIFV-OCCSQVGLSA-N 1 0 340.424 -1.016 20 0 EAADRO CCOCC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229476204 794539989 /nfs/dbraw/zinc/53/99/89/794539989.db2.gz IEYVCCJOXWNOEY-ZDUSSCGKSA-N 1 0 328.413 -1.016 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229476690 794539594 /nfs/dbraw/zinc/53/95/94/794539594.db2.gz NEQNKLMCWPWGPW-NWDGAFQWSA-N 1 0 341.412 -1.789 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229476703 794539622 /nfs/dbraw/zinc/53/96/22/794539622.db2.gz NEQNKLMCWPWGPW-RYUDHWBXSA-N 1 0 341.412 -1.789 20 0 EAADRO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](CCOCCO)CC1)C(N)=O ZINC001229477335 794540145 /nfs/dbraw/zinc/54/01/45/794540145.db2.gz XZUYWIGOIXJTOR-ZDUSSCGKSA-N 1 0 344.412 -2.044 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229485419 794539868 /nfs/dbraw/zinc/53/98/68/794539868.db2.gz GIBKKFATUCWJSV-ZDUSSCGKSA-N 1 0 328.413 -1.016 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229493329 794540191 /nfs/dbraw/zinc/54/01/91/794540191.db2.gz DOHKNFOVAZCNGU-OLZOCXBDSA-N 1 0 344.412 -2.046 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229493330 794539729 /nfs/dbraw/zinc/53/97/29/794539729.db2.gz DOHKNFOVAZCNGU-STQMWFEESA-N 1 0 344.412 -2.046 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229493649 794539887 /nfs/dbraw/zinc/53/98/87/794539887.db2.gz KVEYXNFRFIKUSW-CABZTGNLSA-N 1 0 341.412 -1.918 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229493653 794540072 /nfs/dbraw/zinc/54/00/72/794540072.db2.gz KVEYXNFRFIKUSW-SKDRFNHKSA-N 1 0 341.412 -1.918 20 0 EAADRO CO[C@@H](C)C[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229494288 794539984 /nfs/dbraw/zinc/53/99/84/794539984.db2.gz WQAMUBMMCZZUHP-GWCFXTLKSA-N 1 0 328.413 -1.018 20 0 EAADRO CO[C@H](C)C[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229494289 794539664 /nfs/dbraw/zinc/53/96/64/794539664.db2.gz WQAMUBMMCZZUHP-MFKMUULPSA-N 1 0 328.413 -1.018 20 0 EAADRO CNC(=O)NC(=O)CN1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC001229515916 794539902 /nfs/dbraw/zinc/53/99/02/794539902.db2.gz BIZMLQQNTFGRFL-UHFFFAOYSA-N 1 0 327.385 -1.499 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC001229516550 794539778 /nfs/dbraw/zinc/53/97/78/794539778.db2.gz JQLNDRIJUXSMEB-JTQLQIEISA-N 1 0 341.412 -1.111 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC001229516553 794539855 /nfs/dbraw/zinc/53/98/55/794539855.db2.gz JQLNDRIJUXSMEB-SNVBAGLBSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC001229517443 794540436 /nfs/dbraw/zinc/54/04/36/794540436.db2.gz VJAXZBQXYIKRDD-SECBINFHSA-N 1 0 327.385 -1.371 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC001229517444 794540215 /nfs/dbraw/zinc/54/02/15/794540215.db2.gz VJAXZBQXYIKRDD-VIFPVBQESA-N 1 0 327.385 -1.371 20 0 EAADRO CN(C)C(=O)CC(=O)NC1CCN(CC(=O)N2CCOCC2)CC1 ZINC001229517726 794539688 /nfs/dbraw/zinc/53/96/88/794539688.db2.gz XTSQFOUBWJNBGR-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO CCNC(=O)NC(=O)CN1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC001229517753 794540254 /nfs/dbraw/zinc/54/02/54/794540254.db2.gz ZEEMLXPIQQBAKS-UHFFFAOYSA-N 1 0 341.412 -1.109 20 0 EAADRO CN(C)C(=O)CC(=O)NC1CCN(CCNS(C)(=O)=O)CC1 ZINC001229526292 794539850 /nfs/dbraw/zinc/53/98/50/794539850.db2.gz ITCGDKZOEQOYDB-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CCS(=O)(=O)NCCN1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC001229527343 794540197 /nfs/dbraw/zinc/54/01/97/794540197.db2.gz XUFBCTWJAQMREE-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CCNC(=O)CN1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001229544377 794539956 /nfs/dbraw/zinc/53/99/56/794539956.db2.gz GQTBOOQHSZNBAU-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001229544378 794539967 /nfs/dbraw/zinc/53/99/67/794539967.db2.gz GQTBOOQHSZNBAU-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001229545293 794539813 /nfs/dbraw/zinc/53/98/13/794539813.db2.gz SLMUKOBPDYMXRT-CHWSQXEVSA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001229545301 794540114 /nfs/dbraw/zinc/54/01/14/794540114.db2.gz SLMUKOBPDYMXRT-OLZOCXBDSA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001229545302 794540103 /nfs/dbraw/zinc/54/01/03/794540103.db2.gz SLMUKOBPDYMXRT-QWHCGFSZSA-N 1 0 349.453 -1.392 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001229545303 794540226 /nfs/dbraw/zinc/54/02/26/794540226.db2.gz SLMUKOBPDYMXRT-STQMWFEESA-N 1 0 349.453 -1.392 20 0 EAADRO CC(=O)NCC(C)(C)C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 ZINC001229559238 794540296 /nfs/dbraw/zinc/54/02/96/794540296.db2.gz RMZYPWYUBFEQFJ-UHFFFAOYSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1CCC(NC(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001229566736 794540416 /nfs/dbraw/zinc/54/04/16/794540416.db2.gz RQMMNZNOTOYCIY-GXSJLCMTSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1CCC(NC(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001229566738 794540121 /nfs/dbraw/zinc/54/01/21/794540121.db2.gz RQMMNZNOTOYCIY-KOLCDFICSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1CCC(NC(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001229566741 794539881 /nfs/dbraw/zinc/53/98/81/794539881.db2.gz RQMMNZNOTOYCIY-MWLCHTKSSA-N 1 0 339.396 -1.181 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1CCC(NC(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001229566745 794539892 /nfs/dbraw/zinc/53/98/92/794539892.db2.gz RQMMNZNOTOYCIY-ONGXEEELSA-N 1 0 339.396 -1.181 20 0 EAADRO CNC(=O)NC(=O)CN1CCC(NC(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001229566758 794540271 /nfs/dbraw/zinc/54/02/71/794540271.db2.gz RTISYMYKJJQBPF-LLVKDONJSA-N 1 0 339.396 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COC[C@H](O)C[NH+]1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001229593196 794541801 /nfs/dbraw/zinc/54/18/01/794541801.db2.gz ZHMUKKAWFZBYFK-GFCCVEGCSA-N 1 0 327.381 -1.373 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001229593197 794541991 /nfs/dbraw/zinc/54/19/91/794541991.db2.gz ZHMUKKAWFZBYFK-LBPRGKRZSA-N 1 0 327.381 -1.373 20 0 EAADRO CNC(=O)C1(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001229601960 794541199 /nfs/dbraw/zinc/54/11/99/794541199.db2.gz ZUHQPQJEANOPSD-LLVKDONJSA-N 1 0 336.392 -1.102 20 0 EAADRO CNC(=O)C1(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001229601961 794542036 /nfs/dbraw/zinc/54/20/36/794542036.db2.gz ZUHQPQJEANOPSD-NSHDSACASA-N 1 0 336.392 -1.102 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001229604839 794541044 /nfs/dbraw/zinc/54/10/44/794541044.db2.gz BACVDDKJUOGJCN-GHMZBOCLSA-N 1 0 344.441 -1.087 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]n1)C(=O)NC(N)=O ZINC001229604956 794541602 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CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001229675869 794540984 /nfs/dbraw/zinc/54/09/84/794540984.db2.gz JPGBYMSJAIGLSZ-NXEZZACHSA-N 1 0 347.379 -1.206 20 0 EAADRO O=C(CCn1cnnn1)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001229723735 794541775 /nfs/dbraw/zinc/54/17/75/794541775.db2.gz XFFCWQSUNXUVDU-AWEZNQCLSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(CCn1cnnn1)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001229723740 794541245 /nfs/dbraw/zinc/54/12/45/794541245.db2.gz XFFCWQSUNXUVDU-CQSZACIVSA-N 1 0 348.411 -1.099 20 0 EAADRO O=C(CCn1cnnn1)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001229740181 794542831 /nfs/dbraw/zinc/54/28/31/794542831.db2.gz GAFUHIVAFPTCRH-LLVKDONJSA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(CCn1cnnn1)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001229740184 794542973 /nfs/dbraw/zinc/54/29/73/794542973.db2.gz GAFUHIVAFPTCRH-NSHDSACASA-N 1 0 335.368 -1.551 20 0 EAADRO O=C(CCn1cnnn1)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001229740486 794542367 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20 0 EAADRO O=C(NCC1CC1)C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001229799708 794542383 /nfs/dbraw/zinc/54/23/83/794542383.db2.gz MXGHFEHTVNCYHD-LBPRGKRZSA-N 1 0 336.392 -1.102 20 0 EAADRO Cn1ncnc1COCC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001229832942 794542843 /nfs/dbraw/zinc/54/28/43/794542843.db2.gz VFHWGVNWQMSFFF-UHFFFAOYSA-N 1 0 341.412 -1.079 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NC1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001229839115 794543504 /nfs/dbraw/zinc/54/35/04/794543504.db2.gz ABOKMRIPFWCKIO-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NC1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001229839116 794542936 /nfs/dbraw/zinc/54/29/36/794542936.db2.gz ABOKMRIPFWCKIO-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO Cn1cnnc1COCC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001229858750 794542506 /nfs/dbraw/zinc/54/25/06/794542506.db2.gz RGHWGJHXJGQXKN-UHFFFAOYSA-N 1 0 341.412 -1.079 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)COCc2nncn2C)CC1 ZINC001229858854 794543116 /nfs/dbraw/zinc/54/31/16/794543116.db2.gz UJTJDTISYSPZOE-CYBMUJFWSA-N 1 0 341.412 -1.080 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)COCc2nncn2C)CC1 ZINC001229858855 794543071 /nfs/dbraw/zinc/54/30/71/794543071.db2.gz UJTJDTISYSPZOE-ZDUSSCGKSA-N 1 0 341.412 -1.080 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)COCc2ncnn2C)CC1 ZINC001229858904 794542564 /nfs/dbraw/zinc/54/25/64/794542564.db2.gz VVXCSZACRZYVMI-CYBMUJFWSA-N 1 0 341.412 -1.080 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)COCc2ncnn2C)CC1 ZINC001229858905 794543387 /nfs/dbraw/zinc/54/33/87/794543387.db2.gz VVXCSZACRZYVMI-ZDUSSCGKSA-N 1 0 341.412 -1.080 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001229907964 794543243 /nfs/dbraw/zinc/54/32/43/794543243.db2.gz CVEHZCILESJBOA-UHFFFAOYSA-N 1 0 342.396 -1.482 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001229909079 794542490 /nfs/dbraw/zinc/54/24/90/794542490.db2.gz USUUZGRKGKVLJT-GFCCVEGCSA-N 1 0 342.396 -1.484 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001229909085 794544260 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C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001229967490 794544071 /nfs/dbraw/zinc/54/40/71/794544071.db2.gz FIMXPTCLQKWEIC-NSHDSACASA-N 1 0 339.400 -1.859 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC001229967836 794544626 /nfs/dbraw/zinc/54/46/26/794544626.db2.gz IBLMKWHLUHDZLS-VIFPVBQESA-N 1 0 338.372 -2.756 20 0 EAADRO NC(=O)NC(=O)CN1CCC(NC(=O)CC(=O)NCC2CC2)CC1 ZINC001229968549 794544928 /nfs/dbraw/zinc/54/49/28/794544928.db2.gz RXTLDHHGZIJGFV-UHFFFAOYSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001229968589 794545239 /nfs/dbraw/zinc/54/52/39/794545239.db2.gz TYHOKKXQABTVSW-MNOVXSKESA-N 1 0 339.400 -1.861 20 0 EAADRO C[C@H](O)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001229968591 794544825 /nfs/dbraw/zinc/54/48/25/794544825.db2.gz TYHOKKXQABTVSW-QWRGUYRKSA-N 1 0 339.400 -1.861 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1CCN(CCF)CC1 ZINC001229968993 794545162 /nfs/dbraw/zinc/54/51/62/794545162.db2.gz XRFNEIKUNORVDU-JTQLQIEISA-N 1 0 327.364 -1.272 20 0 EAADRO CS(=O)(=O)NCCN1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001229976087 794544396 /nfs/dbraw/zinc/54/43/96/794544396.db2.gz DFSBBKBNXCLDBE-UHFFFAOYSA-N 1 0 330.414 -1.523 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001229976842 794544989 /nfs/dbraw/zinc/54/49/89/794544989.db2.gz NAELSCLQFNPXTL-CYBMUJFWSA-N 1 0 341.412 -1.048 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001229976847 794544794 /nfs/dbraw/zinc/54/47/94/794544794.db2.gz NAELSCLQFNPXTL-ZDUSSCGKSA-N 1 0 341.412 -1.048 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1)S(C)(=O)=O ZINC001229984884 794543993 /nfs/dbraw/zinc/54/39/93/794543993.db2.gz DLGVGUCJIFJEHZ-UHFFFAOYSA-N 1 0 344.441 -1.181 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001229984897 794545188 /nfs/dbraw/zinc/54/51/88/794545188.db2.gz FIMXPTCLQKWEIC-LLVKDONJSA-N 1 0 339.400 -1.859 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1CC[NH+](CCO)CC1 ZINC001229985370 794545218 /nfs/dbraw/zinc/54/52/18/794545218.db2.gz PEOABXMHPMYVQJ-SNVBAGLBSA-N 1 0 325.373 -2.249 20 0 EAADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001229985539 794544708 /nfs/dbraw/zinc/54/47/08/794544708.db2.gz QPHBOTOBONWJKM-LLVKDONJSA-N 1 0 339.400 -1.595 20 0 EAADRO C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001229985647 794544441 /nfs/dbraw/zinc/54/44/41/794544441.db2.gz TYHOKKXQABTVSW-GHMZBOCLSA-N 1 0 339.400 -1.861 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001229985648 794545156 /nfs/dbraw/zinc/54/51/56/794545156.db2.gz TYHOKKXQABTVSW-WDEREUQCSA-N 1 0 339.400 -1.861 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001229987480 794544612 /nfs/dbraw/zinc/54/46/12/794544612.db2.gz QQLFCOKABBRVRH-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001230003857 794545103 /nfs/dbraw/zinc/54/51/03/794545103.db2.gz NBVWQZKJFOPNRE-MCIONIFRSA-N 1 0 340.424 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CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O ZINC001230010976 794544874 /nfs/dbraw/zinc/54/48/74/794544874.db2.gz RJOWBBAAEGRJMH-VXGBXAGGSA-N 1 0 338.412 -1.347 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001230010999 794544561 /nfs/dbraw/zinc/54/45/61/794544561.db2.gz STFLPZOBTLBIKL-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO CN1C(=O)CN(CC(=O)NC2CC[NH+](CCOCCO)CC2)C1=O ZINC001230015499 794544134 /nfs/dbraw/zinc/54/41/34/794544134.db2.gz FOYSGWGNJGFLPY-UHFFFAOYSA-N 1 0 342.396 -1.530 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001230015515 794543981 /nfs/dbraw/zinc/54/39/81/794543981.db2.gz FTHAWWLXOHEPRU-GFCCVEGCSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001230015516 794544334 /nfs/dbraw/zinc/54/43/34/794544334.db2.gz FTHAWWLXOHEPRU-LBPRGKRZSA-N 1 0 342.396 -1.532 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230035117 794544177 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CNC(=O)NC(=O)CN1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048745 794544381 /nfs/dbraw/zinc/54/43/81/794544381.db2.gz RDIOCBZSYCZKCH-UHFFFAOYSA-N 1 0 343.428 -1.399 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 ZINC001230071702 794544052 /nfs/dbraw/zinc/54/40/52/794544052.db2.gz FATGATCBCGSOQB-VXGBXAGGSA-N 1 0 344.441 -1.156 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 ZINC001230071740 794546189 /nfs/dbraw/zinc/54/61/89/794546189.db2.gz FXDQNVSVPMKULY-GHMZBOCLSA-N 1 0 337.384 -1.249 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001230077184 794545681 /nfs/dbraw/zinc/54/56/81/794545681.db2.gz CNESAPPTMGWNBX-IJLUTSLNSA-N 1 0 342.396 -1.438 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001230077187 794546111 /nfs/dbraw/zinc/54/61/11/794546111.db2.gz CNESAPPTMGWNBX-QJPTWQEYSA-N 1 0 342.396 -1.438 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001230077219 794546216 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339.396 -1.357 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1)C(=O)NC(N)=O ZINC001230082678 794546644 /nfs/dbraw/zinc/54/66/44/794546644.db2.gz PNUWXMSUZMSDJI-GMTAPVOTSA-N 1 0 337.384 -1.122 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1)C(=O)NC(N)=O ZINC001230082690 794545743 /nfs/dbraw/zinc/54/57/43/794545743.db2.gz PNUWXMSUZMSDJI-HBNTYKKESA-N 1 0 337.384 -1.122 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001230083279 794546613 /nfs/dbraw/zinc/54/66/13/794546613.db2.gz DQUNILUQVQGFNB-KBPBESRZSA-N 1 0 343.424 -1.131 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001230083280 794546200 /nfs/dbraw/zinc/54/62/00/794546200.db2.gz DQUNILUQVQGFNB-KGLIPLIRSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1)S(C)(=O)=O ZINC001230083471 794545986 /nfs/dbraw/zinc/54/59/86/794545986.db2.gz MIJDLRBFFYRURQ-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001230083613 794546259 /nfs/dbraw/zinc/54/62/59/794546259.db2.gz RFUKYRYMLKVJDI-AWEZNQCLSA-N 1 0 340.424 -1.002 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nccnc1C(N)=O ZINC001230084931 794545843 /nfs/dbraw/zinc/54/58/43/794545843.db2.gz RQYHRGYAZJKHIH-NXEZZACHSA-N 1 0 334.380 -1.048 20 0 EAADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O)C(=O)NC(N)=O ZINC001230085239 794546499 /nfs/dbraw/zinc/54/64/99/794546499.db2.gz WAQVTZWEJZTJBR-IVZWLZJFSA-N 1 0 342.400 -1.355 20 0 EAADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O)C(=O)NC(N)=O ZINC001230085250 794546302 /nfs/dbraw/zinc/54/63/02/794546302.db2.gz WAQVTZWEJZTJBR-OPRDCNLKSA-N 1 0 342.400 -1.355 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001230090363 794546248 /nfs/dbraw/zinc/54/62/48/794546248.db2.gz DIJLMFQKBVVWSK-GMTAPVOTSA-N 1 0 339.396 -1.262 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001230090365 794546229 /nfs/dbraw/zinc/54/62/29/794546229.db2.gz DIJLMFQKBVVWSK-MXWKQRLJSA-N 1 0 339.396 -1.262 20 0 EAADRO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCNC(N)=O)nc1=O ZINC001230091844 794545775 /nfs/dbraw/zinc/54/57/75/794545775.db2.gz UKBHBGDIDLVIJM-NXEZZACHSA-N 1 0 339.400 -1.316 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001230094209 794546651 /nfs/dbraw/zinc/54/66/51/794546651.db2.gz HLZGXJFSVJNXNX-GMTAPVOTSA-N 1 0 339.396 -1.133 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001230094210 794546466 /nfs/dbraw/zinc/54/64/66/794546466.db2.gz HLZGXJFSVJNXNX-MXWKQRLJSA-N 1 0 339.396 -1.133 20 0 EAADRO NC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230095000 794546276 /nfs/dbraw/zinc/54/62/76/794546276.db2.gz XBUQLJJTQBLRCY-RKDXNWHRSA-N 1 0 328.373 -1.743 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O ZINC001230095125 794546472 /nfs/dbraw/zinc/54/64/72/794546472.db2.gz ZQSBDIHRXVOHAK-NXEZZACHSA-N 1 0 342.400 -1.483 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O ZINC001230099347 794546409 /nfs/dbraw/zinc/54/64/09/794546409.db2.gz YCWLMLPAQVRISS-GHMZBOCLSA-N 1 0 349.457 -1.389 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001230100951 794546124 /nfs/dbraw/zinc/54/61/24/794546124.db2.gz LUMRRARUARDNCO-BBBLOLIVSA-N 1 0 325.369 -1.523 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001230100952 794546178 /nfs/dbraw/zinc/54/61/78/794546178.db2.gz LUMRRARUARDNCO-OPRDCNLKSA-N 1 0 325.369 -1.523 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CNC1=O ZINC001230101003 794546143 /nfs/dbraw/zinc/54/61/43/794546143.db2.gz OHMFNGUMQHMHNU-GHMZBOCLSA-N 1 0 339.396 -1.179 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001230119310 794545822 /nfs/dbraw/zinc/54/58/22/794545822.db2.gz JPVIKATVHGBAPB-GHMZBOCLSA-N 1 0 337.380 -1.138 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230159338 794546292 /nfs/dbraw/zinc/54/62/92/794546292.db2.gz JEGBUTCCSQCYPE-UHFFFAOYSA-N 1 0 337.442 -1.533 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159393 794546428 /nfs/dbraw/zinc/54/64/28/794546428.db2.gz KOJCSHNQXPWASE-GFCCVEGCSA-N 1 0 337.442 -1.534 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159396 794548004 /nfs/dbraw/zinc/54/80/04/794548004.db2.gz KOJCSHNQXPWASE-LBPRGKRZSA-N 1 0 337.442 -1.534 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001230159411 794547238 /nfs/dbraw/zinc/54/72/38/794547238.db2.gz LDHZXOCVYXIMDG-CABCVRRESA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001230159416 794547708 /nfs/dbraw/zinc/54/77/08/794547708.db2.gz LDHZXOCVYXIMDG-GJZGRUSLSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001230159419 794547149 /nfs/dbraw/zinc/54/71/49/794547149.db2.gz LDHZXOCVYXIMDG-HUUCEWRRSA-N 1 0 343.424 -1.178 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001230159420 794547469 /nfs/dbraw/zinc/54/74/69/794547469.db2.gz LDHZXOCVYXIMDG-LSDHHAIUSA-N 1 0 343.424 -1.178 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001230159430 794547591 /nfs/dbraw/zinc/54/75/91/794547591.db2.gz LFCIFWTUQMKTJN-UHFFFAOYSA-N 1 0 344.441 -1.250 20 0 EAADRO CC(=O)N1CCO[C@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001230159435 794547417 /nfs/dbraw/zinc/54/74/17/794547417.db2.gz LFGYBWYLXIZCDN-HNNXBMFYSA-N 1 0 343.424 -1.177 20 0 EAADRO CC(=O)N1CCO[C@@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001230159436 794547224 /nfs/dbraw/zinc/54/72/24/794547224.db2.gz LFGYBWYLXIZCDN-OAHLLOKOSA-N 1 0 343.424 -1.177 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001230159480 794547985 /nfs/dbraw/zinc/54/79/85/794547985.db2.gz NJLXGUAAKLPTIE-GFCCVEGCSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001230159483 794547162 /nfs/dbraw/zinc/54/71/62/794547162.db2.gz NJLXGUAAKLPTIE-LBPRGKRZSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001230159645 794547903 /nfs/dbraw/zinc/54/79/03/794547903.db2.gz SCBNAGFDGJBLLS-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001230159646 794547437 /nfs/dbraw/zinc/54/74/37/794547437.db2.gz SCBNAGFDGJBLLS-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159663 794547622 /nfs/dbraw/zinc/54/76/22/794547622.db2.gz USAVFLMYQQXTSL-LLVKDONJSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159664 794547729 /nfs/dbraw/zinc/54/77/29/794547729.db2.gz USAVFLMYQQXTSL-NSHDSACASA-N 1 0 348.469 -1.065 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159714 794546315 /nfs/dbraw/zinc/54/63/15/794546315.db2.gz WFDDMJZRXCEDOH-LLVKDONJSA-N 1 0 334.442 -1.278 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159715 794545653 /nfs/dbraw/zinc/54/56/53/794545653.db2.gz WFDDMJZRXCEDOH-NSHDSACASA-N 1 0 334.442 -1.278 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159802 794548113 /nfs/dbraw/zinc/54/81/13/794548113.db2.gz WQBHSBULBFGZOS-JTQLQIEISA-N 1 0 334.442 -1.407 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159807 794547976 /nfs/dbraw/zinc/54/79/76/794547976.db2.gz WQBHSBULBFGZOS-SNVBAGLBSA-N 1 0 334.442 -1.407 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001230163891 794547282 /nfs/dbraw/zinc/54/72/82/794547282.db2.gz PLBNPPFIQKFVDE-CYBMUJFWSA-N 1 0 341.412 -1.522 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001230163892 794547917 /nfs/dbraw/zinc/54/79/17/794547917.db2.gz PLBNPPFIQKFVDE-ZDUSSCGKSA-N 1 0 341.412 -1.522 20 0 EAADRO Cc1nn(CC(=O)NC2CC[NH+](CCOCCO)CC2)c(=O)n1C ZINC001230163937 794548124 /nfs/dbraw/zinc/54/81/24/794548124.db2.gz RMZRHWPIBMKBBQ-UHFFFAOYSA-N 1 0 341.412 -1.520 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001230164001 794547036 /nfs/dbraw/zinc/54/70/36/794547036.db2.gz BPYVWQIJZZWEJU-GMTAPVOTSA-N 1 0 332.426 -1.559 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001230164002 794547610 /nfs/dbraw/zinc/54/76/10/794547610.db2.gz BPYVWQIJZZWEJU-MXWKQRLJSA-N 1 0 332.426 -1.559 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H]1CCS(=O)(=O)N1 ZINC001230164180 794547638 /nfs/dbraw/zinc/54/76/38/794547638.db2.gz HFORDKODKZVQLT-JHJVBQTASA-N 1 0 349.453 -1.296 20 0 EAADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H]1CCS(=O)(=O)N1 ZINC001230164181 794547510 /nfs/dbraw/zinc/54/75/10/794547510.db2.gz HFORDKODKZVQLT-UPJWGTAASA-N 1 0 349.453 -1.296 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001230164339 794547406 /nfs/dbraw/zinc/54/74/06/794547406.db2.gz JSJNGMHHFPCDPH-IJLUTSLNSA-N 1 0 346.453 -1.169 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001230164340 794547549 /nfs/dbraw/zinc/54/75/49/794547549.db2.gz JSJNGMHHFPCDPH-UTUOFQBUSA-N 1 0 346.453 -1.169 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001230164604 794547619 /nfs/dbraw/zinc/54/76/19/794547619.db2.gz QFQWNDHVZIOPBK-IJLUTSLNSA-N 1 0 346.453 -1.217 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001230164606 794547603 /nfs/dbraw/zinc/54/76/03/794547603.db2.gz QFQWNDHVZIOPBK-UTUOFQBUSA-N 1 0 346.453 -1.217 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C ZINC001230170363 794547532 /nfs/dbraw/zinc/54/75/32/794547532.db2.gz YDBIMSADOBTDTN-GHMZBOCLSA-N 1 0 344.441 -1.119 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001230170444 794548063 /nfs/dbraw/zinc/54/80/63/794548063.db2.gz ZZASRSDSAJPHJP-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC ZINC001230174296 794548027 /nfs/dbraw/zinc/54/80/27/794548027.db2.gz AGHTUXCVEBKCFR-IJLUTSLNSA-N 1 0 337.442 -1.440 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC ZINC001230174297 794547683 /nfs/dbraw/zinc/54/76/83/794547683.db2.gz AGHTUXCVEBKCFR-QJPTWQEYSA-N 1 0 337.442 -1.440 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230174314 794547994 /nfs/dbraw/zinc/54/79/94/794547994.db2.gz AQUGWQBGGHIODI-RKDXNWHRSA-N 1 0 349.413 -2.253 20 0 EAADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC)C(N)=O ZINC001230174447 794547965 /nfs/dbraw/zinc/54/79/65/794547965.db2.gz DEDNKCLDCYRTCD-GMTAPVOTSA-N 1 0 334.442 -1.184 20 0 EAADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC)C(N)=O ZINC001230174450 794547727 /nfs/dbraw/zinc/54/77/27/794547727.db2.gz DEDNKCLDCYRTCD-HBNTYKKESA-N 1 0 334.442 -1.184 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230174516 794547922 /nfs/dbraw/zinc/54/79/22/794547922.db2.gz FWKACJPCIPSWCP-GHMZBOCLSA-N 1 0 334.442 -1.311 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001230174613 794548009 /nfs/dbraw/zinc/54/80/09/794548009.db2.gz IRDRLAUGUKODFG-IJLUTSLNSA-N 1 0 346.453 -1.169 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001230174615 794547673 /nfs/dbraw/zinc/54/76/73/794547673.db2.gz IRDRLAUGUKODFG-UTUOFQBUSA-N 1 0 346.453 -1.169 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230174697 794547128 /nfs/dbraw/zinc/54/71/28/794547128.db2.gz JAEIDYYQBNODKD-GMTAPVOTSA-N 1 0 334.442 -1.313 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230174698 794547832 /nfs/dbraw/zinc/54/78/32/794547832.db2.gz JAEIDYYQBNODKD-HBNTYKKESA-N 1 0 334.442 -1.313 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001230174728 794547692 /nfs/dbraw/zinc/54/76/92/794547692.db2.gz JYYHLSJPOJINIA-VXGBXAGGSA-N 1 0 344.441 -1.156 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001230174764 794547943 /nfs/dbraw/zinc/54/79/43/794547943.db2.gz KNWRTMWLEPHKQD-IJLUTSLNSA-N 1 0 346.453 -1.217 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001230174765 794547658 /nfs/dbraw/zinc/54/76/58/794547658.db2.gz KNWRTMWLEPHKQD-UTUOFQBUSA-N 1 0 346.453 -1.217 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001230174774 794547491 /nfs/dbraw/zinc/54/74/91/794547491.db2.gz KQHLXINYVKCBOY-GMTAPVOTSA-N 1 0 332.426 -1.559 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001230174775 794547668 /nfs/dbraw/zinc/54/76/68/794547668.db2.gz KQHLXINYVKCBOY-MXWKQRLJSA-N 1 0 332.426 -1.559 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001230174932 794547793 /nfs/dbraw/zinc/54/77/93/794547793.db2.gz PJXHRHGFEBLVSE-VXGBXAGGSA-N 1 0 346.453 -1.169 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C ZINC001230174939 794547698 /nfs/dbraw/zinc/54/76/98/794547698.db2.gz PYEARSIYBDXPOK-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C ZINC001230175022 794547865 /nfs/dbraw/zinc/54/78/65/794547865.db2.gz SCXCARUYHYYUAQ-VXGBXAGGSA-N 1 0 344.441 -1.119 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001230175037 794547766 /nfs/dbraw/zinc/54/77/66/794547766.db2.gz SNMCYHZMWBALIX-VXGBXAGGSA-N 1 0 337.442 -1.439 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001230175064 794547264 /nfs/dbraw/zinc/54/72/64/794547264.db2.gz UHMYCJULCFKTFR-VXGBXAGGSA-N 1 0 344.441 -1.119 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001230190031 794547101 /nfs/dbraw/zinc/54/71/01/794547101.db2.gz IQVDXQJFPHCYSU-AWEZNQCLSA-N 1 0 341.412 -1.117 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001230190032 794548032 /nfs/dbraw/zinc/54/80/32/794548032.db2.gz IQVDXQJFPHCYSU-CQSZACIVSA-N 1 0 341.412 -1.117 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1C(C)=O ZINC001230192714 794547740 /nfs/dbraw/zinc/54/77/40/794547740.db2.gz JMSNQWZHAAXHIX-MCIONIFRSA-N 1 0 340.424 -1.003 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1C(C)=O ZINC001230192715 794547088 /nfs/dbraw/zinc/54/70/88/794547088.db2.gz JMSNQWZHAAXHIX-MGPQQGTHSA-N 1 0 340.424 -1.003 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)Cn2cncn2)CC1)S(C)(=O)=O ZINC001230193938 794548097 /nfs/dbraw/zinc/54/80/97/794548097.db2.gz BRGJSROXTZXCIC-UHFFFAOYSA-N 1 0 344.441 -1.250 20 0 EAADRO CN1CC(=O)N(CC(=O)NC2CC[NH+](CCOCCO)CC2)C1=O ZINC001230194071 794547876 /nfs/dbraw/zinc/54/78/76/794547876.db2.gz KXMQNCPWLINMMP-UHFFFAOYSA-N 1 0 342.396 -1.530 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001230194111 794547141 /nfs/dbraw/zinc/54/71/41/794547141.db2.gz MXGGUEDJMAQSPV-LLVKDONJSA-N 1 0 328.369 -1.874 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001230194112 794547517 /nfs/dbraw/zinc/54/75/17/794547517.db2.gz MXGGUEDJMAQSPV-NSHDSACASA-N 1 0 328.369 -1.874 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230194185 794548103 /nfs/dbraw/zinc/54/81/03/794548103.db2.gz RSPCOARVGZMGST-UHFFFAOYSA-N 1 0 328.369 -1.872 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001230194220 794548816 /nfs/dbraw/zinc/54/88/16/794548816.db2.gz VIAHEDZIZHTHMV-GFCCVEGCSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001230194221 794549168 /nfs/dbraw/zinc/54/91/68/794549168.db2.gz VIAHEDZIZHTHMV-LBPRGKRZSA-N 1 0 342.396 -1.532 20 0 EAADRO COCCOCC[NH+]1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001230194279 794548495 /nfs/dbraw/zinc/54/84/95/794548495.db2.gz YWOCGZUHFQARLC-UHFFFAOYSA-N 1 0 342.396 -1.218 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230203888 794549331 /nfs/dbraw/zinc/54/93/31/794549331.db2.gz IPCOWFLUUKNAFF-UHFFFAOYSA-N 1 0 337.380 -1.221 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230203893 794549464 /nfs/dbraw/zinc/54/94/64/794549464.db2.gz ISVRDSYHOKVMBO-UHFFFAOYSA-N 1 0 327.381 -1.275 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001230203914 794549412 /nfs/dbraw/zinc/54/94/12/794549412.db2.gz KDRXLQUFJLCKFS-GFCCVEGCSA-N 1 0 327.381 -1.277 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001230203915 794548909 /nfs/dbraw/zinc/54/89/09/794548909.db2.gz KDRXLQUFJLCKFS-LBPRGKRZSA-N 1 0 327.381 -1.277 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001230204129 794548512 /nfs/dbraw/zinc/54/85/12/794548512.db2.gz UPGVBLUYLTYRIC-LLVKDONJSA-N 1 0 337.380 -1.223 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001230204131 794549228 /nfs/dbraw/zinc/54/92/28/794549228.db2.gz UPGVBLUYLTYRIC-NSHDSACASA-N 1 0 337.380 -1.223 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC001230216511 794548573 /nfs/dbraw/zinc/54/85/73/794548573.db2.gz DFWCKUOMXSKOJA-UHFFFAOYSA-N 1 0 343.428 -1.222 20 0 EAADRO NC(=O)NCCC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001230217896 794548681 /nfs/dbraw/zinc/54/86/81/794548681.db2.gz RKVNXJQUYLKYNA-UHFFFAOYSA-N 1 0 326.401 -1.349 20 0 EAADRO NC(=O)NCCC(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001230217963 794548741 /nfs/dbraw/zinc/54/87/41/794548741.db2.gz UCFRCPPEKFYHCT-JTQLQIEISA-N 1 0 325.369 -1.569 20 0 EAADRO NC(=O)NCCC(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001230217964 794549348 /nfs/dbraw/zinc/54/93/48/794549348.db2.gz UCFRCPPEKFYHCT-SNVBAGLBSA-N 1 0 325.369 -1.569 20 0 EAADRO CN(CC[NH+]1CCC(NC(=O)CCNC(N)=O)CC1)S(C)(=O)=O ZINC001230218211 794548699 /nfs/dbraw/zinc/54/86/99/794548699.db2.gz WDRCJKQGNOWRMG-UHFFFAOYSA-N 1 0 349.457 -1.483 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC001230218215 794549155 /nfs/dbraw/zinc/54/91/55/794549155.db2.gz WFNHHTNNDJAWKC-CYBMUJFWSA-N 1 0 346.428 -1.351 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC001230218216 794548985 /nfs/dbraw/zinc/54/89/85/794548985.db2.gz WFNHHTNNDJAWKC-ZDUSSCGKSA-N 1 0 346.428 -1.351 20 0 EAADRO NC(=O)NCCC(=O)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001230221238 794549137 /nfs/dbraw/zinc/54/91/37/794549137.db2.gz CWWADSSMXXUMSM-CYBMUJFWSA-N 1 0 338.412 -1.117 20 0 EAADRO NC(=O)NCCC(=O)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001230221241 794549369 /nfs/dbraw/zinc/54/93/69/794549369.db2.gz CWWADSSMXXUMSM-ZDUSSCGKSA-N 1 0 338.412 -1.117 20 0 EAADRO NC(=O)NCCC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001230221483 794549571 /nfs/dbraw/zinc/54/95/71/794549571.db2.gz FZDPZZHTSMPPSZ-UHFFFAOYSA-N 1 0 340.384 -1.823 20 0 EAADRO NC(=O)NCCC(=O)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001230221895 794549082 /nfs/dbraw/zinc/54/90/82/794549082.db2.gz MTCZMHJZLCHGAD-UHFFFAOYSA-N 1 0 339.396 -1.226 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230221955 794549376 /nfs/dbraw/zinc/54/93/76/794549376.db2.gz OPBIYBGQFMDYLC-GFCCVEGCSA-N 1 0 342.396 -1.436 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230221957 794549025 /nfs/dbraw/zinc/54/90/25/794549025.db2.gz OPBIYBGQFMDYLC-LBPRGKRZSA-N 1 0 342.396 -1.436 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001230222229 794548716 /nfs/dbraw/zinc/54/87/16/794548716.db2.gz UDTNOPHHDTWGNH-NEPJUHHUSA-N 1 0 342.396 -1.438 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001230222230 794548522 /nfs/dbraw/zinc/54/85/22/794548522.db2.gz UDTNOPHHDTWGNH-NWDGAFQWSA-N 1 0 342.396 -1.438 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001230222231 794548839 /nfs/dbraw/zinc/54/88/39/794548839.db2.gz UDTNOPHHDTWGNH-RYUDHWBXSA-N 1 0 342.396 -1.438 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001230222232 794549501 /nfs/dbraw/zinc/54/95/01/794549501.db2.gz UDTNOPHHDTWGNH-VXGBXAGGSA-N 1 0 342.396 -1.438 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001230226221 794549492 /nfs/dbraw/zinc/54/94/92/794549492.db2.gz BTTZGWUMTFSQQK-GHMZBOCLSA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001230226222 794548645 /nfs/dbraw/zinc/54/86/45/794548645.db2.gz BTTZGWUMTFSQQK-MNOVXSKESA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001230226223 794549174 /nfs/dbraw/zinc/54/91/74/794549174.db2.gz BTTZGWUMTFSQQK-QWRGUYRKSA-N 1 0 339.396 -1.181 20 0 EAADRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001230226224 794548827 /nfs/dbraw/zinc/54/88/27/794548827.db2.gz BTTZGWUMTFSQQK-WDEREUQCSA-N 1 0 339.396 -1.181 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001230226307 794549555 /nfs/dbraw/zinc/54/95/55/794549555.db2.gz GWLCXFFIICHWIC-GXSJLCMTSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001230226308 794549643 /nfs/dbraw/zinc/54/96/43/794549643.db2.gz GWLCXFFIICHWIC-KOLCDFICSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001230226309 794549341 /nfs/dbraw/zinc/54/93/41/794549341.db2.gz GWLCXFFIICHWIC-MWLCHTKSSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001230226310 794548553 /nfs/dbraw/zinc/54/85/53/794548553.db2.gz GWLCXFFIICHWIC-ONGXEEELSA-N 1 0 339.396 -1.310 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001230226544 794548950 /nfs/dbraw/zinc/54/89/50/794548950.db2.gz VCUKMWNUHDRZST-GFCCVEGCSA-N 1 0 349.395 -1.153 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001230226545 794549070 /nfs/dbraw/zinc/54/90/70/794549070.db2.gz VCUKMWNUHDRZST-LBPRGKRZSA-N 1 0 349.395 -1.153 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001230233984 794551221 /nfs/dbraw/zinc/55/12/21/794551221.db2.gz FCMHWBROJCETDN-GHMZBOCLSA-N 1 0 334.442 -1.230 20 0 EAADRO Cn1cc(C(=O)NC2CC[NH+](CCOCCO)CC2)c(=O)[nH]c1=O ZINC001230244848 794550966 /nfs/dbraw/zinc/55/09/66/794550966.db2.gz LDUVLIKJTGRLRA-UHFFFAOYSA-N 1 0 340.380 -1.311 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001230245072 794551046 /nfs/dbraw/zinc/55/10/46/794551046.db2.gz RKTQAKZWYINLFO-LLVKDONJSA-N 1 0 340.380 -1.313 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001230245073 794550619 /nfs/dbraw/zinc/55/06/19/794550619.db2.gz RKTQAKZWYINLFO-NSHDSACASA-N 1 0 340.380 -1.313 20 0 EAADRO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001230247530 794550477 /nfs/dbraw/zinc/55/04/77/794550477.db2.gz DDROLVZBFFZSNP-JHJVBQTASA-N 1 0 338.412 -1.208 20 0 EAADRO C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001230247531 794550962 /nfs/dbraw/zinc/55/09/62/794550962.db2.gz DDROLVZBFFZSNP-YNEHKIRRSA-N 1 0 338.412 -1.208 20 0 EAADRO O=C(CNC(=O)Cn1cncn1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001230247836 794550659 /nfs/dbraw/zinc/55/06/59/794550659.db2.gz NDYCIMKEELCWAZ-CHWSQXEVSA-N 1 0 338.412 -1.206 20 0 EAADRO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001230248136 794551145 /nfs/dbraw/zinc/55/11/45/794551145.db2.gz VUORPSDMDGYSPY-GHMZBOCLSA-N 1 0 337.384 -2.103 20 0 EAADRO CNC(=O)NC(=O)CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262959 794550206 /nfs/dbraw/zinc/55/02/06/794550206.db2.gz ZATWBMANBSDMEG-LLVKDONJSA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)NC(=O)CN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262960 794550268 /nfs/dbraw/zinc/55/02/68/794550268.db2.gz ZATWBMANBSDMEG-NSHDSACASA-N 1 0 325.413 -1.026 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001230266640 794550817 /nfs/dbraw/zinc/55/08/17/794550817.db2.gz RPJVGJCGGJRULQ-NXEZZACHSA-N 1 0 337.384 -1.860 20 0 EAADRO CCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230266717 794551004 /nfs/dbraw/zinc/55/10/04/794551004.db2.gz WRKUSKHIELFRKL-NXEZZACHSA-N 1 0 348.425 -1.367 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001230275091 794550861 /nfs/dbraw/zinc/55/08/61/794550861.db2.gz BRAOQPKSJZPIDV-NEPJUHHUSA-N 1 0 335.426 -1.734 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001230275092 794551111 /nfs/dbraw/zinc/55/11/11/794551111.db2.gz BRAOQPKSJZPIDV-NWDGAFQWSA-N 1 0 335.426 -1.734 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001230275093 794550432 /nfs/dbraw/zinc/55/04/32/794550432.db2.gz BRAOQPKSJZPIDV-RYUDHWBXSA-N 1 0 335.426 -1.734 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001230275094 794550385 /nfs/dbraw/zinc/55/03/85/794550385.db2.gz BRAOQPKSJZPIDV-VXGBXAGGSA-N 1 0 335.426 -1.734 20 0 EAADRO O=C(NC1CC[NH+](CCOCCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001230275209 794551252 /nfs/dbraw/zinc/55/12/52/794551252.db2.gz HGVOMHSOANIDQP-GFCCVEGCSA-N 1 0 335.426 -1.732 20 0 EAADRO O=C(NC1CC[NH+](CCOCCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001230275210 794551166 /nfs/dbraw/zinc/55/11/66/794551166.db2.gz HGVOMHSOANIDQP-LBPRGKRZSA-N 1 0 335.426 -1.732 20 0 EAADRO 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338.389 -1.097 20 0 EAADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@@]23CC[NH2+][C@H]2CC(=O)N3)s1 ZINC001238328158 794663012 /nfs/dbraw/zinc/66/30/12/794663012.db2.gz HRNYNERCRRNNGT-CPCISQLKSA-N 1 0 345.406 -1.042 20 0 EAADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)s1 ZINC001238328163 794662501 /nfs/dbraw/zinc/66/25/01/794662501.db2.gz HRNYNERCRRNNGT-HQJQHLMTSA-N 1 0 345.406 -1.042 20 0 EAADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@]23CC[NH2+][C@@H]2CC(=O)N3)s1 ZINC001238328165 794663419 /nfs/dbraw/zinc/66/34/19/794663419.db2.gz HRNYNERCRRNNGT-RDDDGLTNSA-N 1 0 345.406 -1.042 20 0 EAADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@]23CC[NH2+][C@H]2CC(=O)N3)s1 ZINC001238328166 794662800 /nfs/dbraw/zinc/66/28/00/794662800.db2.gz HRNYNERCRRNNGT-WRWORJQWSA-N 1 0 345.406 -1.042 20 0 EAADRO O=C1C[C@@H]2[NH2+]CC[C@@]2(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)N1 ZINC001238331295 794662777 /nfs/dbraw/zinc/66/27/77/794662777.db2.gz OLUQDVHZNUPGLJ-GWCFXTLKSA-N 1 0 349.376 -1.277 20 0 EAADRO O=C1C[C@@H]2[NH2+]CC[C@]2(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)N1 ZINC001238331302 794663025 /nfs/dbraw/zinc/66/30/25/794663025.db2.gz OLUQDVHZNUPGLJ-GXFFZTMASA-N 1 0 349.376 -1.277 20 0 EAADRO O=C1C[C@H]2[NH2+]CC[C@@]2(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)N1 ZINC001238331303 794663109 /nfs/dbraw/zinc/66/31/09/794663109.db2.gz OLUQDVHZNUPGLJ-MFKMUULPSA-N 1 0 349.376 -1.277 20 0 EAADRO O=C1C[C@H]2[NH2+]CC[C@]2(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)N1 ZINC001238331305 794663308 /nfs/dbraw/zinc/66/33/08/794663308.db2.gz OLUQDVHZNUPGLJ-ZWNOBZJWSA-N 1 0 349.376 -1.277 20 0 EAADRO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNS(=O)(=O)CC[NH3+])OCC2 ZINC001238355722 794663291 /nfs/dbraw/zinc/66/32/91/794663291.db2.gz IYJZMFKNCXZFKM-LLVKDONJSA-N 1 0 345.425 -1.537 20 0 EAADRO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNS(=O)(=O)CC[NH3+])OCC2 ZINC001238355732 794662835 /nfs/dbraw/zinc/66/28/35/794662835.db2.gz IYJZMFKNCXZFKM-NSHDSACASA-N 1 0 345.425 -1.537 20 0 EAADRO O=C(NCCNS(=O)(=O)CC1CC[NH2+]CC1)N1CCOCC1 ZINC001238449295 794663215 /nfs/dbraw/zinc/66/32/15/794663215.db2.gz LXZZPUQJDMTVEG-UHFFFAOYSA-N 1 0 334.442 -1.053 20 0 EAADRO [NH3+]CCS(=O)(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001238449997 794662955 /nfs/dbraw/zinc/66/29/55/794662955.db2.gz VYUXIJROAHACMT-UHFFFAOYSA-N 1 0 329.378 -1.276 20 0 EAADRO NC(=O)[C@H](CC(=O)OCc1ccccc1)NS(=O)(=O)CC[NH3+] ZINC001238454445 794663269 /nfs/dbraw/zinc/66/32/69/794663269.db2.gz AJGBXORBSYOSJC-NSHDSACASA-N 1 0 329.378 -1.148 20 0 EAADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001238639009 794663190 /nfs/dbraw/zinc/66/31/90/794663190.db2.gz FAUGQPNAKOQCCL-NXEZZACHSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[NH2+]C[C@H]1CO ZINC001238639017 794663185 /nfs/dbraw/zinc/66/31/85/794663185.db2.gz FAUGQPNAKOQCCL-UWVGGRQHSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1CO ZINC001238639018 794663081 /nfs/dbraw/zinc/66/30/81/794663081.db2.gz FAUGQPNAKOQCCL-VHSXEESVSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[NH2+]C[C@@H]1CO ZINC001238639019 794663071 /nfs/dbraw/zinc/66/30/71/794663071.db2.gz FAUGQPNAKOQCCL-ZJUUUORDSA-N 1 0 334.419 -1.051 20 0 EAADRO O=c1[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3C[NH2+]C[C@H]3CO)ccc2[nH]1 ZINC001238640160 794663146 /nfs/dbraw/zinc/66/31/46/794663146.db2.gz JCECHTQOUMNGPT-CPCISQLKSA-N 1 0 340.361 -1.100 20 0 EAADRO O=c1[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3C[NH2+]C[C@@H]3CO)ccc2[nH]1 ZINC001238640175 794663260 /nfs/dbraw/zinc/66/32/60/794663260.db2.gz JCECHTQOUMNGPT-HQJQHLMTSA-N 1 0 340.361 -1.100 20 0 EAADRO O=c1[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3C[NH2+]C[C@@H]3CO)ccc2[nH]1 ZINC001238640176 794663328 /nfs/dbraw/zinc/66/33/28/794663328.db2.gz JCECHTQOUMNGPT-RDDDGLTNSA-N 1 0 340.361 -1.100 20 0 EAADRO O=c1[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3C[NH2+]C[C@H]3CO)ccc2[nH]1 ZINC001238640179 794663202 /nfs/dbraw/zinc/66/32/02/794663202.db2.gz JCECHTQOUMNGPT-WRWORJQWSA-N 1 0 340.361 -1.100 20 0 EAADRO O=C1COc2ccc(S(=O)(=O)N[C@@H]3C[NH2+]C[C@H]3CO)cc2N1 ZINC001238640613 794662982 /nfs/dbraw/zinc/66/29/82/794662982.db2.gz LCYFOOYZKKWVAR-GZMMTYOYSA-N 1 0 327.362 -1.124 20 0 EAADRO O=C1COc2ccc(S(=O)(=O)N[C@H]3C[NH2+]C[C@@H]3CO)cc2N1 ZINC001238640615 794663354 /nfs/dbraw/zinc/66/33/54/794663354.db2.gz LCYFOOYZKKWVAR-KCJUWKMLSA-N 1 0 327.362 -1.124 20 0 EAADRO O=C1COc2ccc(S(=O)(=O)N[C@H]3C[NH2+]C[C@H]3CO)cc2N1 ZINC001238640616 794662944 /nfs/dbraw/zinc/66/29/44/794662944.db2.gz LCYFOOYZKKWVAR-KWQFWETISA-N 1 0 327.362 -1.124 20 0 EAADRO O=C1COc2ccc(S(=O)(=O)N[C@@H]3C[NH2+]C[C@@H]3CO)cc2N1 ZINC001238640617 794663242 /nfs/dbraw/zinc/66/32/42/794663242.db2.gz LCYFOOYZKKWVAR-LDYMZIIASA-N 1 0 327.362 -1.124 20 0 EAADRO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001238640618 794663264 /nfs/dbraw/zinc/66/32/64/794663264.db2.gz LDIIYGFQHFEAFZ-BXKDBHETSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001238640619 794663332 /nfs/dbraw/zinc/66/33/32/794663332.db2.gz LDIIYGFQHFEAFZ-CABZTGNLSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001238640620 794662751 /nfs/dbraw/zinc/66/27/51/794662751.db2.gz LDIIYGFQHFEAFZ-JOYOIKCWSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001238640621 794663056 /nfs/dbraw/zinc/66/30/56/794663056.db2.gz LDIIYGFQHFEAFZ-SKDRFNHKSA-N 1 0 334.419 -1.051 20 0 EAADRO O=S(=O)(N[C@H]1C[NH2+]C[C@H]1CO)c1ccc(N2CCOCC2)nc1 ZINC001238642680 794663001 /nfs/dbraw/zinc/66/30/01/794663001.db2.gz BQKMHWCOCMCVEV-AAEUAGOBSA-N 1 0 342.421 -1.223 20 0 EAADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@@H]1CO)c1ccc(N2CCOCC2)nc1 ZINC001238642686 794663324 /nfs/dbraw/zinc/66/33/24/794663324.db2.gz BQKMHWCOCMCVEV-DGCLKSJQSA-N 1 0 342.421 -1.223 20 0 EAADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1CO)c1ccc(N2CCOCC2)nc1 ZINC001238642689 794663407 /nfs/dbraw/zinc/66/34/07/794663407.db2.gz BQKMHWCOCMCVEV-WCQYABFASA-N 1 0 342.421 -1.223 20 0 EAADRO O=S(=O)(N[C@H]1C[NH2+]C[C@@H]1CO)c1ccc(N2CCOCC2)nc1 ZINC001238642691 794663237 /nfs/dbraw/zinc/66/32/37/794663237.db2.gz BQKMHWCOCMCVEV-YPMHNXCESA-N 1 0 342.421 -1.223 20 0 EAADRO CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001238644374 794662735 /nfs/dbraw/zinc/66/27/35/794662735.db2.gz ZUFZVKDAFGVXOF-BXKDBHETSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001238644376 794662891 /nfs/dbraw/zinc/66/28/91/794662891.db2.gz ZUFZVKDAFGVXOF-CABZTGNLSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001238644377 794664151 /nfs/dbraw/zinc/66/41/51/794664151.db2.gz ZUFZVKDAFGVXOF-JOYOIKCWSA-N 1 0 334.419 -1.051 20 0 EAADRO CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001238644378 794664541 /nfs/dbraw/zinc/66/45/41/794664541.db2.gz ZUFZVKDAFGVXOF-SKDRFNHKSA-N 1 0 334.419 -1.051 20 0 EAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238666267 794664759 /nfs/dbraw/zinc/66/47/59/794664759.db2.gz BRKCPKOTFJLZND-UWVGGRQHSA-N 1 0 335.426 -1.028 20 0 EAADRO Cc1cn(CC(=O)NCCNS(=O)(=O)CC[NH3+])c(=O)[nH]c1=O ZINC001238670878 794664105 /nfs/dbraw/zinc/66/41/05/794664105.db2.gz LCTKUXPVZMKWDJ-UHFFFAOYSA-N 1 0 333.370 -2.748 20 0 EAADRO O=S(=O)(CC1CC[NH2+]CC1)NCCN1CCS(=O)(=O)CC1 ZINC001238732674 794664814 /nfs/dbraw/zinc/66/48/14/794664814.db2.gz HEHZUUJCIKNVJW-UHFFFAOYSA-N 1 0 339.483 -1.364 20 0 EAADRO O=C1C=CC(=O)N1CCOCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238801608 794664159 /nfs/dbraw/zinc/66/41/59/794664159.db2.gz RWNSGYYPELBKOI-UHFFFAOYSA-N 1 0 345.421 -1.153 20 0 EAADRO Cc1cn([C@H]2C[C@H](NS(=O)(=O)CC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001238810585 794664408 /nfs/dbraw/zinc/66/44/08/794664408.db2.gz FLUDURIQTWREFG-IVZWLZJFSA-N 1 0 348.381 -2.216 20 0 EAADRO [NH3+]CCNCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001238837193 794664692 /nfs/dbraw/zinc/66/46/92/794664692.db2.gz BBTNALCENDDIGZ-UHFFFAOYSA-N 1 0 327.366 -1.132 20 0 EAADRO [NH3+]CCNCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001238839680 794664268 /nfs/dbraw/zinc/66/42/68/794664268.db2.gz VEJBAMWSJVQEHL-UHFFFAOYSA-N 1 0 329.426 -1.255 20 0 EAADRO [NH3+]CCS(=O)(=O)NCc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001238869004 794664857 /nfs/dbraw/zinc/66/48/57/794664857.db2.gz AKAMAGWZGZRCQC-UHFFFAOYSA-N 1 0 348.450 -1.306 20 0 EAADRO CC(C)C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001238875243 794664435 /nfs/dbraw/zinc/66/44/35/794664435.db2.gz FXBDKHHOJVXYRS-LBPRGKRZSA-N 1 0 348.469 -1.078 20 0 EAADRO CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1)C(N)=O ZINC001238895343 794666314 /nfs/dbraw/zinc/66/63/14/794666314.db2.gz HKFOSIDMYQHVTE-JQWIXIFHSA-N 1 0 348.469 -1.080 20 0 EAADRO NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)CC[NH3+] ZINC001238895828 794666247 /nfs/dbraw/zinc/66/62/47/794666247.db2.gz OHZQNKKRBSSWLA-NSHDSACASA-N 1 0 344.393 -2.217 20 0 EAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)CC[NH3+] ZINC001238896045 794666215 /nfs/dbraw/zinc/66/62/15/794666215.db2.gz SEYXTFWYRMZKKS-QMMMGPOBSA-N 1 0 335.386 -3.543 20 0 EAADRO C[C@H](NS(=O)(=O)CC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001238898862 794665969 /nfs/dbraw/zinc/66/59/69/794665969.db2.gz CYJHQHKDXBONNI-JQWIXIFHSA-N 1 0 342.421 -1.534 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238900783 794665417 /nfs/dbraw/zinc/66/54/17/794665417.db2.gz QLRBDAAMEWOYSD-UHFFFAOYSA-N 1 0 349.413 -3.377 20 0 EAADRO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2)cc1 ZINC001238901893 794665880 /nfs/dbraw/zinc/66/58/80/794665880.db2.gz DGAZEGJWSFGNBB-JTQLQIEISA-N 1 0 333.435 -1.070 20 0 EAADRO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2)cc1 ZINC001238901894 794665619 /nfs/dbraw/zinc/66/56/19/794665619.db2.gz DGAZEGJWSFGNBB-SNVBAGLBSA-N 1 0 333.435 -1.070 20 0 EAADRO O=S(=O)(NC[C@H]1C[NH2+]CCN1)c1ccc(N2CCOCC2)nc1 ZINC001238903185 794665435 /nfs/dbraw/zinc/66/54/35/794665435.db2.gz KFOOUMHOBFODJV-GFCCVEGCSA-N 1 0 341.437 -1.242 20 0 EAADRO O=S(=O)(NC[C@@H]1C[NH2+]CCN1)c1ccc(N2CCOCC2)nc1 ZINC001238903192 794665243 /nfs/dbraw/zinc/66/52/43/794665243.db2.gz KFOOUMHOBFODJV-LBPRGKRZSA-N 1 0 341.437 -1.242 20 0 EAADRO O=C1COc2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCN3)cc2N1 ZINC001238903459 794665639 /nfs/dbraw/zinc/66/56/39/794665639.db2.gz KQCXQVPEDRFQLX-SECBINFHSA-N 1 0 326.378 -1.143 20 0 EAADRO O=C1COc2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCN3)cc2N1 ZINC001238903466 794665314 /nfs/dbraw/zinc/66/53/14/794665314.db2.gz KQCXQVPEDRFQLX-VIFPVBQESA-N 1 0 326.378 -1.143 20 0 EAADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1 ZINC001238904062 794665327 /nfs/dbraw/zinc/66/53/27/794665327.db2.gz OLQCTPHHYYJNPF-JTQLQIEISA-N 1 0 333.435 -1.070 20 0 EAADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[NH2+]CCN1 ZINC001238904064 794665734 /nfs/dbraw/zinc/66/57/34/794665734.db2.gz OLQCTPHHYYJNPF-SNVBAGLBSA-N 1 0 333.435 -1.070 20 0 EAADRO CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2)c1 ZINC001238904236 794665946 /nfs/dbraw/zinc/66/59/46/794665946.db2.gz PTYNXHPMXMKLKE-JTQLQIEISA-N 1 0 333.435 -1.070 20 0 EAADRO CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2)c1 ZINC001238904238 794665229 /nfs/dbraw/zinc/66/52/29/794665229.db2.gz PTYNXHPMXMKLKE-SNVBAGLBSA-N 1 0 333.435 -1.070 20 0 EAADRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCN3)cc2c(=O)[nH]1 ZINC001238905326 794665756 /nfs/dbraw/zinc/66/57/56/794665756.db2.gz XXRWZIYQFSSQFO-MRVPVSSYSA-N 1 0 339.377 -1.119 20 0 EAADRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCN3)cc2c(=O)[nH]1 ZINC001238905333 794665673 /nfs/dbraw/zinc/66/56/73/794665673.db2.gz XXRWZIYQFSSQFO-QMMMGPOBSA-N 1 0 339.377 -1.119 20 0 EAADRO NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC[NH3+] ZINC001238914657 794665987 /nfs/dbraw/zinc/66/59/87/794665987.db2.gz HMBXIWVBYPOQGK-NSHDSACASA-N 1 0 328.394 -1.923 20 0 EAADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNS(=O)(=O)CC[NH3+] ZINC001238914945 794666162 /nfs/dbraw/zinc/66/61/62/794666162.db2.gz ISHSGCBOFTTXEA-NSHDSACASA-N 1 0 344.393 -2.217 20 0 EAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)CC[NH3+] ZINC001238915724 794665573 /nfs/dbraw/zinc/66/55/73/794665573.db2.gz ORSDCBOYJMPVFN-NSHDSACASA-N 1 0 328.394 -1.923 20 0 EAADRO [NH3+]CCS(=O)(=O)N1CC(N2CCN(c3ncccn3)CC2)C1 ZINC001238926731 794666271 /nfs/dbraw/zinc/66/62/71/794666271.db2.gz STJNLIHGYUUCPT-UHFFFAOYSA-N 1 0 326.426 -1.429 20 0 EAADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H]1O ZINC001238938315 794666115 /nfs/dbraw/zinc/66/61/15/794666115.db2.gz NGKCUDDXNKETOL-PSASIEDQSA-N 1 0 326.334 -1.267 20 0 EAADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)C[C@H]1O ZINC001238938939 794665376 /nfs/dbraw/zinc/66/53/76/794665376.db2.gz RFMCVILAXMWDJK-VXGBXAGGSA-N 1 0 328.394 -1.389 20 0 EAADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2nc3nc(Cl)ccn3n2)C[C@H]1O ZINC001238950797 794665830 /nfs/dbraw/zinc/66/58/30/794665830.db2.gz XONNFQFSAUCIBG-RNFRBKRXSA-N 1 0 332.773 -1.140 20 0 EAADRO [NH3+][C@@H]1CN(S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC[C@H]1O ZINC001238958353 794666224 /nfs/dbraw/zinc/66/62/24/794666224.db2.gz IDJGAJVHPWUXQW-RNFRBKRXSA-N 1 0 332.773 -1.140 20 0 EAADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@@H]1O ZINC001238969047 794666253 /nfs/dbraw/zinc/66/62/53/794666253.db2.gz BGMACQHMSLMDJW-CPCISQLKSA-N 1 0 340.361 -1.019 20 0 EAADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H]1O ZINC001238969586 794666293 /nfs/dbraw/zinc/66/62/93/794666293.db2.gz BGMACQHMSLMDJW-WRWORJQWSA-N 1 0 340.361 -1.019 20 0 EAADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2nc3nc(Cl)ccn3n2)C[C@@H]1O ZINC001238970398 794665762 /nfs/dbraw/zinc/66/57/62/794665762.db2.gz MYWBARCEXSWCDM-BQBZGAKWSA-N 1 0 332.773 -1.282 20 0 EAADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2nc3nc(Cl)ccn3n2)C[C@H]1O ZINC001238971038 794666066 /nfs/dbraw/zinc/66/60/66/794666066.db2.gz MYWBARCEXSWCDM-NKWVEPMBSA-N 1 0 332.773 -1.282 20 0 EAADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)C[C@@H]1O ZINC001238971586 794665842 /nfs/dbraw/zinc/66/58/42/794665842.db2.gz VBJAMEOWLDYFHI-AAEUAGOBSA-N 1 0 342.421 -1.142 20 0 EAADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C[C@@H]1O 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EAADRO CN(C)C(=O)COC[C@]12COC[C@H]1CN(S(=O)(=O)CC[NH3+])C2 ZINC001239078544 794665998 /nfs/dbraw/zinc/66/59/98/794665998.db2.gz YRLKDTWOKBZQLO-YPMHNXCESA-N 1 0 335.426 -1.672 20 0 EAADRO Cn1cccc1C(=O)N[C@@H]1CN(S(=O)(=O)CC[NH3+])[C@@H]2COC[C@H]12 ZINC001239080497 794666302 /nfs/dbraw/zinc/66/63/02/794666302.db2.gz AMYZLSRQWWKJIN-NQBHXWOUSA-N 1 0 342.421 -1.257 20 0 EAADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(S(=O)(=O)CC[NH3+])C[C@H]2C1 ZINC001239080799 794666045 /nfs/dbraw/zinc/66/60/45/794666045.db2.gz CXZOAXABBKPLJG-GHMZBOCLSA-N 1 0 340.471 -1.665 20 0 EAADRO [NH3+]CCS(=O)(=O)N1CCCn2nnc(Cn3cnnc3)c2C1 ZINC001239080813 794665261 /nfs/dbraw/zinc/66/52/61/794665261.db2.gz DDMGDFUHOBDORM-UHFFFAOYSA-N 1 0 326.386 -1.588 20 0 EAADRO [NH3+]CCS(=O)(=O)N1CCCn2c(CN3CCCC3=O)nnc2C1 ZINC001239080912 794665892 /nfs/dbraw/zinc/66/58/92/794665892.db2.gz FBZOGARESTWAFB-UHFFFAOYSA-N 1 0 342.425 -1.105 20 0 EAADRO [NH3+]CCS(=O)(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001239081409 794665524 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344.408 -1.036 20 0 EAADRO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001251019381 794681741 /nfs/dbraw/zinc/68/17/41/794681741.db2.gz YNWOGHMNDDPLIZ-MJBXVCDLSA-N 1 0 344.408 -1.036 20 0 EAADRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](O)CN2CCOCC2)N1 ZINC001251024484 794681955 /nfs/dbraw/zinc/68/19/55/794681955.db2.gz OOSJOESWCZFPMY-IVMGVGPUSA-N 1 0 338.408 -1.116 20 0 EAADRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](O)CN2CCOCC2)N1 ZINC001251024485 794681922 /nfs/dbraw/zinc/68/19/22/794681922.db2.gz OOSJOESWCZFPMY-RYFSFTGQSA-N 1 0 338.408 -1.116 20 0 EAADRO CN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001251024646 794682135 /nfs/dbraw/zinc/68/21/35/794682135.db2.gz QVXDRDAYMCDZKS-CABCVRRESA-N 1 0 328.457 -1.178 20 0 EAADRO CN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001251024647 794682007 /nfs/dbraw/zinc/68/20/07/794682007.db2.gz QVXDRDAYMCDZKS-HUUCEWRRSA-N 1 0 328.457 -1.178 20 0 EAADRO 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COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251043012 794681803 /nfs/dbraw/zinc/68/18/03/794681803.db2.gz LKPQMNFIZWJOOG-MJBXVCDLSA-N 1 0 343.424 -1.178 20 0 EAADRO O=C(CC[NH2+]C[C@H](O)CN1CCOCC1)NCCc1c[nH]cn1 ZINC001251043167 794681672 /nfs/dbraw/zinc/68/16/72/794681672.db2.gz MNTMVWVSIXKIRD-AWEZNQCLSA-N 1 0 325.413 -1.259 20 0 EAADRO O=C(CC[NH2+]C[C@@H](O)CN1CCOCC1)NCCc1c[nH]cn1 ZINC001251043168 794681754 /nfs/dbraw/zinc/68/17/54/794681754.db2.gz MNTMVWVSIXKIRD-CQSZACIVSA-N 1 0 325.413 -1.259 20 0 EAADRO CC(C)(C)OC(=O)C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(N)=O ZINC001251045488 794682330 /nfs/dbraw/zinc/68/23/30/794682330.db2.gz GTVHSFLPWOAKML-NEPJUHHUSA-N 1 0 331.413 -1.145 20 0 EAADRO CC(C)(C)OC(=O)C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C(N)=O ZINC001251045489 794682263 /nfs/dbraw/zinc/68/22/63/794682263.db2.gz GTVHSFLPWOAKML-RYUDHWBXSA-N 1 0 331.413 -1.145 20 0 EAADRO CC(C)C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(=O)NCC(N)=O ZINC001251046543 794682341 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CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C[C@H](O)CN1CCOCC1)C(N)=O ZINC001251047746 794681660 /nfs/dbraw/zinc/68/16/60/794681660.db2.gz XNUUAGSQMNLXIH-AVGNSLFASA-N 1 0 330.429 -1.716 20 0 EAADRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C[C@@H](O)CN1CCOCC1)C(N)=O ZINC001251047749 794682581 /nfs/dbraw/zinc/68/25/81/794682581.db2.gz XNUUAGSQMNLXIH-XQQFMLRXSA-N 1 0 330.429 -1.716 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251047823 794682457 /nfs/dbraw/zinc/68/24/57/794682457.db2.gz XRSRIISKTGNETK-JTQLQIEISA-N 1 0 331.373 -4.013 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251047841 794682622 /nfs/dbraw/zinc/68/26/22/794682622.db2.gz XRSRIISKTGNETK-SNVBAGLBSA-N 1 0 331.373 -4.013 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC001251259923 794683846 /nfs/dbraw/zinc/68/38/46/794683846.db2.gz LAFUTGCRCJTXDY-LLVKDONJSA-N 1 0 338.364 -2.266 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)COc1ccccc1 ZINC001251259924 794683558 /nfs/dbraw/zinc/68/35/58/794683558.db2.gz LAFUTGCRCJTXDY-NSHDSACASA-N 1 0 338.364 -2.266 20 0 EAADRO C[NH+]1CCN(CCCNC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC001251260712 794683116 /nfs/dbraw/zinc/68/31/16/794683116.db2.gz FZOOFUSGDBBQFI-UHFFFAOYSA-N 1 0 347.485 -1.344 20 0 EAADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]CC(=O)NCC(N)=O)C1 ZINC001251361852 794683669 /nfs/dbraw/zinc/68/36/69/794683669.db2.gz JGMUALPJCFHWDG-HNNXBMFYSA-N 1 0 344.412 -1.061 20 0 EAADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CC(=O)NCC(N)=O)C1 ZINC001251361864 794683346 /nfs/dbraw/zinc/68/33/46/794683346.db2.gz JGMUALPJCFHWDG-OAHLLOKOSA-N 1 0 344.412 -1.061 20 0 EAADRO C[C@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)NCC(N)=O ZINC001251474080 794683789 /nfs/dbraw/zinc/68/37/89/794683789.db2.gz FLCOFWNZSRYMQB-BONVTDFDSA-N 1 0 344.412 -1.062 20 0 EAADRO C[C@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)NCC(N)=O ZINC001251474081 794683762 /nfs/dbraw/zinc/68/37/62/794683762.db2.gz FLCOFWNZSRYMQB-ZUZCIYMTSA-N 1 0 344.412 -1.062 20 0 EAADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+][C@@H](CC(N)=O)C(N)=O)C1 ZINC001251474682 794683616 /nfs/dbraw/zinc/68/36/16/794683616.db2.gz TVASYHJALRKCMQ-LKFCYVNXSA-N 1 0 330.385 -1.323 20 0 EAADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@@H](CC(N)=O)C(N)=O)C1 ZINC001251474683 794683106 /nfs/dbraw/zinc/68/31/06/794683106.db2.gz TVASYHJALRKCMQ-XPTSAGLGSA-N 1 0 330.385 -1.323 20 0 EAADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]CC(=O)NCC(N)=O)C1 ZINC001251480716 794683402 /nfs/dbraw/zinc/68/34/02/794683402.db2.gz UUFRERATRJGHOG-AWEZNQCLSA-N 1 0 330.385 -1.451 20 0 EAADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]CC(=O)NCC(N)=O)C1 ZINC001251480717 794683533 /nfs/dbraw/zinc/68/35/33/794683533.db2.gz UUFRERATRJGHOG-CQSZACIVSA-N 1 0 330.385 -1.451 20 0 EAADRO OC[C@H]1C[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)C(F)F)[C@H](O)[C@@H]1O ZINC001251627866 794684660 /nfs/dbraw/zinc/68/46/60/794684660.db2.gz QTDGETAZHUDPPJ-IGORNWKESA-N 1 0 335.294 -1.044 20 0 EAADRO OC[C@H]1C[C@@H]([NH2+]C[C@H](O)COCC(F)(F)C(F)F)[C@H](O)[C@@H]1O ZINC001251627871 794684977 /nfs/dbraw/zinc/68/49/77/794684977.db2.gz QTDGETAZHUDPPJ-ZOZBQHSOSA-N 1 0 335.294 -1.044 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)COCC(F)(F)C(F)F)C(=O)NCC(N)=O ZINC001251646795 794684817 /nfs/dbraw/zinc/68/48/17/794684817.db2.gz JYIOZMBDQYWBIY-BQBZGAKWSA-N 1 0 333.282 -1.156 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)C(F)F)C(=O)NCC(N)=O ZINC001251646796 794684831 /nfs/dbraw/zinc/68/48/31/794684831.db2.gz JYIOZMBDQYWBIY-NKWVEPMBSA-N 1 0 333.282 -1.156 20 0 EAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001251674390 794684293 /nfs/dbraw/zinc/68/42/93/794684293.db2.gz OMCHXRNVESYROW-UHFFFAOYSA-N 1 0 340.384 -1.657 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC(OCC[NH+](C)C)CC2)C1=O ZINC001251810389 794684589 /nfs/dbraw/zinc/68/45/89/794684589.db2.gz GAPPZUDVUDMWNE-UHFFFAOYSA-N 1 0 340.380 -1.024 20 0 EAADRO C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C[NH+]1CCN(C)CC1 ZINC001251853663 794684981 /nfs/dbraw/zinc/68/49/81/794684981.db2.gz UKVPFNXBIBTSHG-CYBMUJFWSA-N 1 0 337.424 -1.074 20 0 EAADRO C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C[NH+]1CCN(C)CC1 ZINC001251853664 794684176 /nfs/dbraw/zinc/68/41/76/794684176.db2.gz UKVPFNXBIBTSHG-ZDUSSCGKSA-N 1 0 337.424 -1.074 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)NCCCN2CCC[N@H+](C)CC2)C1=O ZINC001251856979 794685846 /nfs/dbraw/zinc/68/58/46/794685846.db2.gz WGDBHJZEYKIWBU-UHFFFAOYSA-N 1 0 339.396 -1.449 20 0 EAADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[NH+](C)C)cnc2n(C)c1=O ZINC001251923875 794685950 /nfs/dbraw/zinc/68/59/50/794685950.db2.gz VCRBRVFILNIHPG-UHFFFAOYSA-N 1 0 348.363 -1.752 20 0 EAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](C)O)C(=O)NCC(N)=O ZINC001251962049 794685261 /nfs/dbraw/zinc/68/52/61/794685261.db2.gz YJGXIOCVQSPEAB-AVGNSLFASA-N 1 0 342.440 -1.036 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NCCC[NH+]1CCC(O)CC1 ZINC001251968672 794686268 /nfs/dbraw/zinc/68/62/68/794686268.db2.gz FXJLWXCVVAKMEP-UHFFFAOYSA-N 1 0 333.454 -1.320 20 0 EAADRO NS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC001251969529 794685511 /nfs/dbraw/zinc/68/55/11/794685511.db2.gz VSRRNLMBJUUUKQ-UHFFFAOYSA-N 1 0 348.469 -1.135 20 0 EAADRO CON(C)C(=O)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001252009158 794686238 /nfs/dbraw/zinc/68/62/38/794686238.db2.gz NXQFTOMKWYGYQP-CYBMUJFWSA-N 1 0 343.428 -1.288 20 0 EAADRO CON(C)C(=O)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001252009159 794686090 /nfs/dbraw/zinc/68/60/90/794686090.db2.gz NXQFTOMKWYGYQP-ZDUSSCGKSA-N 1 0 343.428 -1.288 20 0 EAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C[C@H](O)c1ccccc1 ZINC001252015682 794685403 /nfs/dbraw/zinc/68/54/03/794685403.db2.gz RDTMWZGNAFBHBY-KBPBESRZSA-N 1 0 348.403 -1.098 20 0 EAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001252015683 794685942 /nfs/dbraw/zinc/68/59/42/794685942.db2.gz RDTMWZGNAFBHBY-UONOGXRCSA-N 1 0 348.403 -1.098 20 0 EAADRO CCOC[C@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001252046336 794685930 /nfs/dbraw/zinc/68/59/30/794685930.db2.gz CSCKJRBMKFFJLS-LLVKDONJSA-N 1 0 328.369 -1.639 20 0 EAADRO CCOC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001252046339 794685653 /nfs/dbraw/zinc/68/56/53/794685653.db2.gz CSCKJRBMKFFJLS-NSHDSACASA-N 1 0 328.369 -1.639 20 0 EAADRO CCOC[C@@H](O)C[NH2+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001252046801 794685240 /nfs/dbraw/zinc/68/52/40/794685240.db2.gz FHBPOZZFKWPTBN-WUHRBBMRSA-N 1 0 343.380 -1.107 20 0 EAADRO CCOC[C@H](O)C[NH2+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001252046803 794686260 /nfs/dbraw/zinc/68/62/60/794686260.db2.gz FHBPOZZFKWPTBN-YVECIDJPSA-N 1 0 343.380 -1.107 20 0 EAADRO CCOC[C@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001252052084 791352775 /nfs/dbraw/zinc/35/27/75/791352775.db2.gz HSTRBLWJAFDZAT-MNOVXSKESA-N 1 0 330.385 -2.434 20 0 EAADRO CCOC[C@@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001252052087 791352601 /nfs/dbraw/zinc/35/26/01/791352601.db2.gz HSTRBLWJAFDZAT-QWRGUYRKSA-N 1 0 330.385 -2.434 20 0 EAADRO CCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001252052536 791351639 /nfs/dbraw/zinc/35/16/39/791351639.db2.gz PPQDTXGDBAVZRX-BJDJZHNGSA-N 1 0 347.412 -1.456 20 0 EAADRO CCOC[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001252052537 794686282 /nfs/dbraw/zinc/68/62/82/794686282.db2.gz PPQDTXGDBAVZRX-FIQHERPVSA-N 1 0 347.412 -1.456 20 0 EAADRO CCOC[C@@H](O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001252052540 794686377 /nfs/dbraw/zinc/68/63/77/794686377.db2.gz PRUKWNXQNMCXNO-KBPBESRZSA-N 1 0 339.392 -1.108 20 0 EAADRO CCOC[C@H](O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001252052541 794686133 /nfs/dbraw/zinc/68/61/33/794686133.db2.gz PRUKWNXQNMCXNO-KGLIPLIRSA-N 1 0 339.392 -1.108 20 0 EAADRO CCOC[C@@H](O)C[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001252052942 794686150 /nfs/dbraw/zinc/68/61/50/794686150.db2.gz XZMQNTWYLGYXIZ-KBPBESRZSA-N 1 0 339.392 -1.108 20 0 EAADRO CCOC[C@H](O)C[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001252052943 794685828 /nfs/dbraw/zinc/68/58/28/794685828.db2.gz XZMQNTWYLGYXIZ-KGLIPLIRSA-N 1 0 339.392 -1.108 20 0 EAADRO CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@H+](C[C@H](O)CO)C1 ZINC001252057373 794685753 /nfs/dbraw/zinc/68/57/53/794685753.db2.gz IFYZNALRQCJHCF-JSGCOSHPSA-N 1 0 326.397 -1.227 20 0 EAADRO CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@H+](C[C@H](O)CO)C1 ZINC001252057374 794686430 /nfs/dbraw/zinc/68/64/30/794686430.db2.gz IFYZNALRQCJHCF-OCCSQVGLSA-N 1 0 326.397 -1.227 20 0 EAADRO O=C([C@@H]1C[N@@H+](C[C@H](O)CO)CC12CCOCC2)N1CCOCC1 ZINC001252058184 794685595 /nfs/dbraw/zinc/68/55/95/794685595.db2.gz XPXODHWLUOKKMF-KBPBESRZSA-N 1 0 328.409 -1.073 20 0 EAADRO O=C([C@H]1C[N@@H+](C[C@H](O)CO)CC12CCOCC2)N1CCOCC1 ZINC001252058185 794685429 /nfs/dbraw/zinc/68/54/29/794685429.db2.gz XPXODHWLUOKKMF-UONOGXRCSA-N 1 0 328.409 -1.073 20 0 EAADRO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](C[C@H](O)CO)C[C@@H]21)c1ccnnc1 ZINC001252058631 794685974 /nfs/dbraw/zinc/68/59/74/794685974.db2.gz GRIMBGJEWYWSNQ-ZQDZILKHSA-N 1 0 336.392 -1.104 20 0 EAADRO CNC(=O)[C@]12C[N@H+](C[C@H](O)CO)C[C@H]1N(c1ncccn1)CCC2 ZINC001252058764 794685659 /nfs/dbraw/zinc/68/56/59/794685659.db2.gz HQHKOSYZXZQAHG-WOSRLPQWSA-N 1 0 335.408 -1.153 20 0 EAADRO O=C(NC[C@H]1OC[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]21)c1cnccn1 ZINC001252059045 794687835 /nfs/dbraw/zinc/68/78/35/794687835.db2.gz OWZAOEJXYGMRNW-PWNZVWSESA-N 1 0 336.392 -1.104 20 0 EAADRO O=C(C[C@@H]1COC[C@H]2C[N@@H+](C[C@H](O)CO)C[C@H]21)N1CCOCC1 ZINC001252059122 794687152 /nfs/dbraw/zinc/68/71/52/794687152.db2.gz QPZQSHDLWYGPTR-KBXIAJHMSA-N 1 0 328.409 -1.217 20 0 EAADRO O=C(COC[C@]12COC[C@H]1C[N@@H+](C[C@H](O)CO)C2)N1CCCC1 ZINC001252059287 794687136 /nfs/dbraw/zinc/68/71/36/794687136.db2.gz UHUPTECYRUCTIV-YCPHGPKFSA-N 1 0 328.409 -1.073 20 0 EAADRO CN(C)C(=O)CN1CCOCC2(CC[NH+](C[C@H](O)CO)CC2)C1 ZINC001252059291 794687737 /nfs/dbraw/zinc/68/77/37/794687737.db2.gz ULIAGAVOVWQARY-AWEZNQCLSA-N 1 0 329.441 -1.158 20 0 EAADRO Cn1cc(C(=O)NCc2cnc3n2CC[N@@H+](C[C@H](O)CO)CC3)cn1 ZINC001252059574 794687494 /nfs/dbraw/zinc/68/74/94/794687494.db2.gz CALSSXHKVNNLKH-AWEZNQCLSA-N 1 0 348.407 -1.242 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@H+](C[C@H](O)CO)C[C@@H]32)cn1 ZINC001252059580 794687991 /nfs/dbraw/zinc/68/79/91/794687991.db2.gz CIZKJHXZOZNRIK-CYUUQNCZSA-N 1 0 338.408 -1.160 20 0 EAADRO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C[C@H](O)CO)CC[C@H]2S1(=O)=O ZINC001252059583 794687475 /nfs/dbraw/zinc/68/74/75/794687475.db2.gz CLYTXVDJBYJEAP-FRRDWIJNSA-N 1 0 349.453 -1.846 20 0 EAADRO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](C[C@H](O)CO)C[C@@H]21)c1cnccn1 ZINC001252059627 794687342 /nfs/dbraw/zinc/68/73/42/794687342.db2.gz FKJNGFKGHBYYOA-PWNZVWSESA-N 1 0 336.392 -1.104 20 0 EAADRO Cn1ccnc1C(=O)NCc1cnc2n1CC[N@@H+](C[C@H](O)CO)CC2 ZINC001252059975 794687772 /nfs/dbraw/zinc/68/77/72/794687772.db2.gz RSAKNVMIMQDWJC-ZDUSSCGKSA-N 1 0 348.407 -1.242 20 0 EAADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@H+](C[C@H](O)CO)CC[C@@H]32)cn1 ZINC001252060117 794687518 /nfs/dbraw/zinc/68/75/18/794687518.db2.gz UDQBSTPHWPPUHB-ZQDZILKHSA-N 1 0 338.408 -1.160 20 0 EAADRO O=C(C[C@@H]1OC[C@H]2C[N@H+](C[C@H](O)CO)CC[C@H]21)N1CCOCC1 ZINC001252060139 794687417 /nfs/dbraw/zinc/68/74/17/794687417.db2.gz UYINDXFRQXLFKV-BARDWOONSA-N 1 0 328.409 -1.075 20 0 EAADRO COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+]C[C@H](O)CO)c1 ZINC001252070321 794687849 /nfs/dbraw/zinc/68/78/49/794687849.db2.gz HCAGXFSKPGWVPV-GWCFXTLKSA-N 1 0 328.365 -1.204 20 0 EAADRO COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+]C[C@H](O)CO)c1 ZINC001252070322 794687171 /nfs/dbraw/zinc/68/71/71/794687171.db2.gz HCAGXFSKPGWVPV-GXFFZTMASA-N 1 0 328.365 -1.204 20 0 EAADRO O=S(=O)(c1ccccc1)N1CCN(CC[NH2+]C[C@H](O)CO)CC1 ZINC001252071962 794688022 /nfs/dbraw/zinc/68/80/22/794688022.db2.gz XYHQCAOREKMOQE-AWEZNQCLSA-N 1 0 343.449 -1.064 20 0 EAADRO COC(=O)[C@H](CCCC[NH2+]C[C@H](O)CO)NC(=O)CNC(C)=O ZINC001252075353 794687687 /nfs/dbraw/zinc/68/76/87/794687687.db2.gz IKVSHUYVNYZQPC-RYUDHWBXSA-N 1 0 333.385 -2.107 20 0 EAADRO CCCC[C@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001252114070 794687378 /nfs/dbraw/zinc/68/73/78/794687378.db2.gz LDKOSKZFVFASRX-NRFQWKTPSA-N 1 0 343.380 -1.291 20 0 EAADRO CCCC[C@@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001252114073 794687405 /nfs/dbraw/zinc/68/74/05/794687405.db2.gz LDKOSKZFVFASRX-OMRXRXQOSA-N 1 0 343.380 -1.291 20 0 EAADRO CCCC[C@@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001252123214 794687882 /nfs/dbraw/zinc/68/78/82/794687882.db2.gz PYOADFZKNFQXGC-NEPJUHHUSA-N 1 0 328.413 -1.280 20 0 EAADRO CCCC[C@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001252123217 794687213 /nfs/dbraw/zinc/68/72/13/794687213.db2.gz PYOADFZKNFQXGC-RYUDHWBXSA-N 1 0 328.413 -1.280 20 0 EAADRO COC(=O)[C@H](O)CNc1cc(N2CCN(CCO)CC2)nc(C)[nH+]1 ZINC001252408926 794687444 /nfs/dbraw/zinc/68/74/44/794687444.db2.gz AREUXKVKWRCFCA-GFCCVEGCSA-N 1 0 339.396 -1.155 20 0 EAADRO COC(=O)[C@@H](O)CNc1cc(N2CCN(CCO)CC2)nc(C)[nH+]1 ZINC001252408936 794687810 /nfs/dbraw/zinc/68/78/10/794687810.db2.gz AREUXKVKWRCFCA-LBPRGKRZSA-N 1 0 339.396 -1.155 20 0 EAADRO C[NH+](C)CCN1CCC(NC(=O)NCCCS(N)(=O)=O)CC1 ZINC001252411310 794687359 /nfs/dbraw/zinc/68/73/59/794687359.db2.gz UHXQHMJURIVSME-UHFFFAOYSA-N 1 0 335.474 -1.010 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001252413184 794687298 /nfs/dbraw/zinc/68/72/98/794687298.db2.gz BTPJQGRQFLLTGJ-BLLLJJGKSA-N 1 0 341.408 -1.077 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001252413185 794688001 /nfs/dbraw/zinc/68/80/01/794688001.db2.gz BTPJQGRQFLLTGJ-LRDDRELGSA-N 1 0 341.408 -1.077 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001252413187 794687115 /nfs/dbraw/zinc/68/71/15/794687115.db2.gz BTPJQGRQFLLTGJ-MLGOLLRUSA-N 1 0 341.408 -1.077 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001252413189 794688034 /nfs/dbraw/zinc/68/80/34/794688034.db2.gz BTPJQGRQFLLTGJ-WBMJQRKESA-N 1 0 341.408 -1.077 20 0 EAADRO COC(=O)[C@@H](O)CN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001252413567 794686882 /nfs/dbraw/zinc/68/68/82/794686882.db2.gz GBCWGKDGDZIWRU-AWEZNQCLSA-N 1 0 337.424 -1.020 20 0 EAADRO COC(=O)[C@H](O)CN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001252413568 794687084 /nfs/dbraw/zinc/68/70/84/794687084.db2.gz GBCWGKDGDZIWRU-CQSZACIVSA-N 1 0 337.424 -1.020 20 0 EAADRO CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](O)C(=O)OC)C2 ZINC001252413569 794687931 /nfs/dbraw/zinc/68/79/31/794687931.db2.gz GDEUUXNSDVEYLO-ABAIWWIYSA-N 1 0 327.381 -1.277 20 0 EAADRO CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H](O)C(=O)OC)C2 ZINC001252413570 794688010 /nfs/dbraw/zinc/68/80/10/794688010.db2.gz GDEUUXNSDVEYLO-IAQYHMDHSA-N 1 0 327.381 -1.277 20 0 EAADRO CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](C[C@H](O)C(=O)OC)C2 ZINC001252413571 794687721 /nfs/dbraw/zinc/68/77/21/794687721.db2.gz GDEUUXNSDVEYLO-NHYWBVRUSA-N 1 0 327.381 -1.277 20 0 EAADRO CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](C[C@H](O)C(=O)OC)C2 ZINC001252413572 794688592 /nfs/dbraw/zinc/68/85/92/794688592.db2.gz GDEUUXNSDVEYLO-XHDPSFHLSA-N 1 0 327.381 -1.277 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001252413778 794688516 /nfs/dbraw/zinc/68/85/16/794688516.db2.gz GZQVKMDWROJGIP-IGQOVBAYSA-N 1 0 342.392 -1.284 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001252413784 794688742 /nfs/dbraw/zinc/68/87/42/794688742.db2.gz GZQVKMDWROJGIP-XDQVBPFNSA-N 1 0 342.392 -1.284 20 0 EAADRO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](O)C(=O)OC)C2 ZINC001252414008 794689154 /nfs/dbraw/zinc/68/91/54/794689154.db2.gz IEBGTPFRWHIMDB-HUBLWGQQSA-N 1 0 330.381 -1.094 20 0 EAADRO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](O)C(=O)OC)C2 ZINC001252414009 794689223 /nfs/dbraw/zinc/68/92/23/794689223.db2.gz IEBGTPFRWHIMDB-SLEUVZQESA-N 1 0 330.381 -1.094 20 0 EAADRO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H](O)C(=O)OC)C2 ZINC001252414010 794688572 /nfs/dbraw/zinc/68/85/72/794688572.db2.gz IEBGTPFRWHIMDB-YWPYICTPSA-N 1 0 330.381 -1.094 20 0 EAADRO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H](O)C(=O)OC)C2 ZINC001252414011 794689409 /nfs/dbraw/zinc/68/94/09/794689409.db2.gz IEBGTPFRWHIMDB-ZOWXZIJZSA-N 1 0 330.381 -1.094 20 0 EAADRO CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C[C@H](O)C(=O)OC)C2)C1 ZINC001252414515 794688667 /nfs/dbraw/zinc/68/86/67/794688667.db2.gz KGLGPBSHAOTBQG-BBRMVZONSA-N 1 0 343.424 -1.319 20 0 EAADRO CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C[C@@H](O)C(=O)OC)C2)C1 ZINC001252414522 794689180 /nfs/dbraw/zinc/68/91/80/794689180.db2.gz KGLGPBSHAOTBQG-CJNGLKHVSA-N 1 0 343.424 -1.319 20 0 EAADRO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C[C@@H](O)C(=O)OC)C2)C1 ZINC001252414524 794689507 /nfs/dbraw/zinc/68/95/07/794689507.db2.gz KGLGPBSHAOTBQG-CZUORRHYSA-N 1 0 343.424 -1.319 20 0 EAADRO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C[C@H](O)C(=O)OC)C2)C1 ZINC001252414525 794688208 /nfs/dbraw/zinc/68/82/08/794688208.db2.gz KGLGPBSHAOTBQG-XJKSGUPXSA-N 1 0 343.424 -1.319 20 0 EAADRO COCCN1CCN(C)C2(CC[NH+](C[C@@H](O)C(=O)OC)CC2)C1=O ZINC001252415110 794689235 /nfs/dbraw/zinc/68/92/35/794689235.db2.gz KZQXYTGORBLYJR-CYBMUJFWSA-N 1 0 343.424 -1.225 20 0 EAADRO COCCN1CCN(C)C2(CC[NH+](C[C@H](O)C(=O)OC)CC2)C1=O ZINC001252415112 794689055 /nfs/dbraw/zinc/68/90/55/794689055.db2.gz KZQXYTGORBLYJR-ZDUSSCGKSA-N 1 0 343.424 -1.225 20 0 EAADRO COC(=O)[C@H](O)CN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252415448 794688220 /nfs/dbraw/zinc/68/82/20/794688220.db2.gz PICCRAQNNNRBEY-LLVKDONJSA-N 1 0 340.380 -1.142 20 0 EAADRO COC(=O)[C@@H](O)CN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252415449 794689295 /nfs/dbraw/zinc/68/92/95/794689295.db2.gz PICCRAQNNNRBEY-NSHDSACASA-N 1 0 340.380 -1.142 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C[C@H](O)C(=O)OC)CC2 ZINC001252416383 794689446 /nfs/dbraw/zinc/68/94/46/794689446.db2.gz XFMKKWTUSQOCPD-NEPJUHHUSA-N 1 0 330.381 -1.094 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C[C@@H](O)C(=O)OC)CC2 ZINC001252416384 794688321 /nfs/dbraw/zinc/68/83/21/794688321.db2.gz XFMKKWTUSQOCPD-NWDGAFQWSA-N 1 0 330.381 -1.094 20 0 EAADRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C[C@H](O)C(=O)OC)CC2 ZINC001252416385 794688866 /nfs/dbraw/zinc/68/88/66/794688866.db2.gz XFMKKWTUSQOCPD-RYUDHWBXSA-N 1 0 330.381 -1.094 20 0 EAADRO CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C[C@@H](O)C(=O)OC)CC2 ZINC001252416386 794688711 /nfs/dbraw/zinc/68/87/11/794688711.db2.gz XFMKKWTUSQOCPD-VXGBXAGGSA-N 1 0 330.381 -1.094 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001252416496 794688501 /nfs/dbraw/zinc/68/85/01/794688501.db2.gz YLEGVKCFWOPFGE-JMSVASOKSA-N 1 0 330.381 -1.427 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001252416497 794689254 /nfs/dbraw/zinc/68/92/54/794689254.db2.gz YLEGVKCFWOPFGE-XUJVJEKNSA-N 1 0 330.381 -1.427 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001252416526 794688612 /nfs/dbraw/zinc/68/86/12/794688612.db2.gz ZBIFZXLCFLCOEG-FDYHWXHSSA-N 1 0 328.365 -1.389 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001252416527 794689193 /nfs/dbraw/zinc/68/91/93/794689193.db2.gz ZBIFZXLCFLCOEG-YVECIDJPSA-N 1 0 328.365 -1.389 20 0 EAADRO COCCN1CCO[C@H]2C[N@H+](C[C@H](O)C(=O)OC)CC[C@H]2C1=O ZINC001252417045 794689142 /nfs/dbraw/zinc/68/91/42/794689142.db2.gz GGHZMOHVZUAQGR-AGIUHOORSA-N 1 0 330.381 -1.284 20 0 EAADRO COCCN1CCO[C@H]2C[N@H+](C[C@@H](O)C(=O)OC)CC[C@H]2C1=O ZINC001252417047 794688458 /nfs/dbraw/zinc/68/84/58/794688458.db2.gz GGHZMOHVZUAQGR-UPJWGTAASA-N 1 0 330.381 -1.284 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001252418569 794689118 /nfs/dbraw/zinc/68/91/18/794689118.db2.gz UKLAYTXIEDVNDV-FVCCEPFGSA-N 1 0 328.365 -1.121 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001252418575 794688539 /nfs/dbraw/zinc/68/85/39/794688539.db2.gz UKLAYTXIEDVNDV-NDBYEHHHSA-N 1 0 328.365 -1.121 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001252419332 794689188 /nfs/dbraw/zinc/68/91/88/794689188.db2.gz XWZVBLZQJSBNFZ-GRYCIOLGSA-N 1 0 335.426 -1.420 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001252419335 794688879 /nfs/dbraw/zinc/68/88/79/794688879.db2.gz XWZVBLZQJSBNFZ-WOPDTQHZSA-N 1 0 335.426 -1.420 20 0 EAADRO C[N@@H+]1CCN(CCNC(=O)NCCCS(N)(=O)=O)CC1(C)C ZINC001252419671 794688551 /nfs/dbraw/zinc/68/85/51/794688551.db2.gz YCKKLTQPZALPPG-UHFFFAOYSA-N 1 0 335.474 -1.010 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001252426927 794689009 /nfs/dbraw/zinc/68/90/09/794689009.db2.gz YLHMBSHAWAMQSU-NEPJUHHUSA-N 1 0 327.381 -1.611 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001252426930 794688843 /nfs/dbraw/zinc/68/88/43/794688843.db2.gz YLHMBSHAWAMQSU-NWDGAFQWSA-N 1 0 327.381 -1.611 20 0 EAADRO COC(=O)[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001252426933 794689129 /nfs/dbraw/zinc/68/91/29/794689129.db2.gz YLHMBSHAWAMQSU-RYUDHWBXSA-N 1 0 327.381 -1.611 20 0 EAADRO COC(=O)[C@H](O)C[N@@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001252426936 794689496 /nfs/dbraw/zinc/68/94/96/794689496.db2.gz YLHMBSHAWAMQSU-VXGBXAGGSA-N 1 0 327.381 -1.611 20 0 EAADRO COC(=O)[C@H](O)C[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001252436307 794689106 /nfs/dbraw/zinc/68/91/06/794689106.db2.gz RRQFKWQRGPJBBS-NEPJUHHUSA-N 1 0 340.380 -1.291 20 0 EAADRO COC(=O)[C@@H](O)C[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001252436308 794688653 /nfs/dbraw/zinc/68/86/53/794688653.db2.gz RRQFKWQRGPJBBS-NWDGAFQWSA-N 1 0 340.380 -1.291 20 0 EAADRO COC(=O)[C@@H](O)C[NH2+]C[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001252436309 794688630 /nfs/dbraw/zinc/68/86/30/794688630.db2.gz RRQFKWQRGPJBBS-RYUDHWBXSA-N 1 0 340.380 -1.291 20 0 EAADRO COC(=O)[C@H](O)C[NH2+]C[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001252436310 794688475 /nfs/dbraw/zinc/68/84/75/794688475.db2.gz RRQFKWQRGPJBBS-VXGBXAGGSA-N 1 0 340.380 -1.291 20 0 EAADRO COC(=O)[C@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001252442041 794688929 /nfs/dbraw/zinc/68/89/29/794688929.db2.gz PMHQDSPJYJLUHH-SECBINFHSA-N 1 0 328.325 -2.503 20 0 EAADRO COC(=O)[C@@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001252442042 794689308 /nfs/dbraw/zinc/68/93/08/794689308.db2.gz PMHQDSPJYJLUHH-VIFPVBQESA-N 1 0 328.325 -2.503 20 0 EAADRO COC(=O)[C@H](O)C[NH2+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001252443244 794688696 /nfs/dbraw/zinc/68/86/96/794688696.db2.gz OFEGIDYMMRHYPN-LNFKQOIKSA-N 1 0 343.336 -1.971 20 0 EAADRO COC(=O)[C@@H](O)C[NH2+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001252443246 794689398 /nfs/dbraw/zinc/68/93/98/794689398.db2.gz OFEGIDYMMRHYPN-UKKRHICBSA-N 1 0 343.336 -1.971 20 0 EAADRO COC(=O)[C@H](O)CNCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001252448462 794688900 /nfs/dbraw/zinc/68/89/00/794688900.db2.gz HTEIUYHGTUORBZ-CYBMUJFWSA-N 1 0 343.405 -1.060 20 0 EAADRO COC(=O)[C@@H](O)CNCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001252448463 794689300 /nfs/dbraw/zinc/68/93/00/794689300.db2.gz HTEIUYHGTUORBZ-ZDUSSCGKSA-N 1 0 343.405 -1.060 20 0 EAADRO COC(=O)[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001252449133 794689080 /nfs/dbraw/zinc/68/90/80/794689080.db2.gz NTWQDAKIMPGKNW-AATLWQCWSA-N 1 0 347.368 -2.319 20 0 EAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)C(=O)OC ZINC001252449144 794688949 /nfs/dbraw/zinc/68/89/49/794688949.db2.gz NTWQDAKIMPGKNW-XKNYDFJKSA-N 1 0 347.368 -2.319 20 0 EAADRO COC(=O)[C@H](O)C[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001252449829 794690063 /nfs/dbraw/zinc/69/00/63/794690063.db2.gz URLHVJKAKVUAJJ-GFCCVEGCSA-N 1 0 343.405 -1.060 20 0 EAADRO COC(=O)[C@@H](O)C[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001252449830 794690678 /nfs/dbraw/zinc/69/06/78/794690678.db2.gz URLHVJKAKVUAJJ-LBPRGKRZSA-N 1 0 343.405 -1.060 20 0 EAADRO COC(=O)[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001252452182 794690472 /nfs/dbraw/zinc/69/04/72/794690472.db2.gz KIAYDEKFVRLSJX-DRZSPHRISA-N 1 0 337.376 -1.289 20 0 EAADRO COC(=O)[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001252452183 794690854 /nfs/dbraw/zinc/69/08/54/794690854.db2.gz KIAYDEKFVRLSJX-WCFLWFBJSA-N 1 0 337.376 -1.289 20 0 EAADRO CCCCOC[C@H](O)C[NH2+]CC(=O)NCC(=O)NCC(=O)OCC ZINC001252534717 794690191 /nfs/dbraw/zinc/69/01/91/794690191.db2.gz YKCUTGVZXUEOQO-GFCCVEGCSA-N 1 0 347.412 -1.451 20 0 EAADRO CCCCOC[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCC(=O)OCC ZINC001252534718 794690696 /nfs/dbraw/zinc/69/06/96/794690696.db2.gz YKCUTGVZXUEOQO-LBPRGKRZSA-N 1 0 347.412 -1.451 20 0 EAADRO CCCCOC[C@@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001252538619 794690848 /nfs/dbraw/zinc/69/08/48/794690848.db2.gz JMFKMPCJOLGNKA-JRULLXGZSA-N 1 0 337.413 -1.402 20 0 EAADRO CCCCOC[C@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001252538620 794690299 /nfs/dbraw/zinc/69/02/99/794690299.db2.gz JMFKMPCJOLGNKA-RUDNTAQLSA-N 1 0 337.413 -1.402 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)COCc1ccco1 ZINC001252662011 794690748 /nfs/dbraw/zinc/69/07/48/794690748.db2.gz IUDOABDSZMQKFP-JTQLQIEISA-N 1 0 342.352 -2.536 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC001252662012 794690798 /nfs/dbraw/zinc/69/07/98/794690798.db2.gz IUDOABDSZMQKFP-SNVBAGLBSA-N 1 0 342.352 -2.536 20 0 EAADRO Cc1cn(CC(=O)NCC[NH2+]C[C@@H](O)COC(C)C)c(=O)[nH]c1=O ZINC001252694802 794690976 /nfs/dbraw/zinc/69/09/76/794690976.db2.gz LUKAWGAWBCUFNX-GFCCVEGCSA-N 1 0 342.396 -1.251 20 0 EAADRO Cc1cn(CC(=O)NCC[NH2+]C[C@H](O)COC(C)C)c(=O)[nH]c1=O ZINC001252694803 794690442 /nfs/dbraw/zinc/69/04/42/794690442.db2.gz LUKAWGAWBCUFNX-LBPRGKRZSA-N 1 0 342.396 -1.251 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)COC(C)C ZINC001252695235 794690789 /nfs/dbraw/zinc/69/07/89/794690789.db2.gz SSHZAMLDLCGOAJ-LLVKDONJSA-N 1 0 333.385 -1.843 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)COC(C)C ZINC001252695242 794690010 /nfs/dbraw/zinc/69/00/10/794690010.db2.gz SSHZAMLDLCGOAJ-NSHDSACASA-N 1 0 333.385 -1.843 20 0 EAADRO CC(C)OC[C@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001252698859 794690576 /nfs/dbraw/zinc/69/05/76/794690576.db2.gz HJFPNWLXVBLYPU-NEPJUHHUSA-N 1 0 344.412 -2.046 20 0 EAADRO CC(C)OC[C@@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001252698860 794690036 /nfs/dbraw/zinc/69/00/36/794690036.db2.gz HJFPNWLXVBLYPU-RYUDHWBXSA-N 1 0 344.412 -2.046 20 0 EAADRO COCCCn1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)n1 ZINC001252776021 794692379 /nfs/dbraw/zinc/69/23/79/794692379.db2.gz NXOCYNISSNJUGE-LLVKDONJSA-N 1 0 327.385 -1.103 20 0 EAADRO COCCCn1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)n1 ZINC001252776022 794692327 /nfs/dbraw/zinc/69/23/27/794692327.db2.gz NXOCYNISSNJUGE-NSHDSACASA-N 1 0 327.385 -1.103 20 0 EAADRO CCC[C@@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001252803631 794692494 /nfs/dbraw/zinc/69/24/94/794692494.db2.gz VFAUXYCBOJEQNW-CSBRLYRZSA-N 1 0 329.353 -1.681 20 0 EAADRO CCC[C@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001252803632 794692441 /nfs/dbraw/zinc/69/24/41/794692441.db2.gz VFAUXYCBOJEQNW-IINAIABHSA-N 1 0 329.353 -1.681 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001252830140 794691745 /nfs/dbraw/zinc/69/17/45/794691745.db2.gz VXQOOGVGWBDZII-NNYUYHANSA-N 1 0 329.353 -1.497 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCC[C@H](NC(=O)CNC(C)=O)C(=O)OC ZINC001252831478 794691579 /nfs/dbraw/zinc/69/15/79/794691579.db2.gz BFDHJMFKCOVUCQ-STQMWFEESA-N 1 0 347.412 -1.453 20 0 EAADRO COC[C@@H](O)C[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001252832037 794692501 /nfs/dbraw/zinc/69/25/01/794692501.db2.gz MGCGUTKMKFJOPF-STQMWFEESA-N 1 0 325.365 -1.498 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001252832452 794692060 /nfs/dbraw/zinc/69/20/60/794692060.db2.gz UBYHEUVAXFWTIT-IHRRRGAJSA-N 1 0 339.392 -1.843 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001252832749 794692223 /nfs/dbraw/zinc/69/22/23/794692223.db2.gz JMEGMVZHVOWVBD-STQMWFEESA-N 1 0 325.365 -1.498 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001252832908 794691385 /nfs/dbraw/zinc/69/13/85/794691385.db2.gz NFVQAKSBWKDRLA-NAKRPEOUSA-N 1 0 333.385 -1.846 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001252868858 794691640 /nfs/dbraw/zinc/69/16/40/794691640.db2.gz NIVURMWMYOKCBQ-LLVKDONJSA-N 1 0 326.328 -1.834 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001252868872 794691859 /nfs/dbraw/zinc/69/18/59/794691859.db2.gz NIVURMWMYOKCBQ-NSHDSACASA-N 1 0 326.328 -1.834 20 0 EAADRO Cc1cn(CC(=O)NCC[NH2+]CC2(O)CCOCC2)c(=O)[nH]c1=O ZINC001252975333 794691663 /nfs/dbraw/zinc/69/16/63/794691663.db2.gz RQPJIFIJBPEYOY-UHFFFAOYSA-N 1 0 340.380 -1.495 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]CC1(O)CCOCC1 ZINC001252975482 794692434 /nfs/dbraw/zinc/69/24/34/794692434.db2.gz YVXMDWDHFXGMSE-UHFFFAOYSA-N 1 0 331.369 -2.087 20 0 EAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]CC1(O)CCOCC1 ZINC001252980415 794691459 /nfs/dbraw/zinc/69/14/59/794691459.db2.gz NRKSNPVBDQEIQV-NSHDSACASA-N 1 0 342.396 -2.290 20 0 EAADRO CN1C(=O)N=NC1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001253026873 794692367 /nfs/dbraw/zinc/69/23/67/794692367.db2.gz LRNDWIANJOFFAT-VIFPVBQESA-N 1 0 325.373 -1.340 20 0 EAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001253027436 794691957 /nfs/dbraw/zinc/69/19/57/794691957.db2.gz OHQMJINPFIKMQT-IHRRRGAJSA-N 1 0 342.440 -1.042 20 0 EAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001253027438 794691673 /nfs/dbraw/zinc/69/16/73/794691673.db2.gz OHQMJINPFIKMQT-MCIONIFRSA-N 1 0 342.440 -1.042 20 0 EAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001253027439 794691365 /nfs/dbraw/zinc/69/13/65/794691365.db2.gz OHQMJINPFIKMQT-MJBXVCDLSA-N 1 0 342.440 -1.042 20 0 EAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001253027440 794691440 /nfs/dbraw/zinc/69/14/40/794691440.db2.gz OHQMJINPFIKMQT-RDBSUJKOSA-N 1 0 342.440 -1.042 20 0 EAADRO COCCc1ccc(OC[C@@H](O)C[NH2+]C(CO)(CO)CO)cc1 ZINC001253075193 794692463 /nfs/dbraw/zinc/69/24/63/794692463.db2.gz POFOAEYKKLNPTC-AWEZNQCLSA-N 1 0 329.393 -1.080 20 0 EAADRO COCCc1ccc(OC[C@H](O)C[NH2+]C(CO)(CO)CO)cc1 ZINC001253075198 794692148 /nfs/dbraw/zinc/69/21/48/794692148.db2.gz POFOAEYKKLNPTC-CQSZACIVSA-N 1 0 329.393 -1.080 20 0 EAADRO COCCc1ccc(OC[C@H](O)C[NH2+]CC(=O)NCC(N)=O)cc1 ZINC001253077354 794691402 /nfs/dbraw/zinc/69/14/02/794691402.db2.gz NVKXSRSNIJTWNW-CYBMUJFWSA-N 1 0 339.392 -1.194 20 0 EAADRO COCCc1ccc(OC[C@@H](O)C[NH2+]CC(=O)NCC(N)=O)cc1 ZINC001253077356 794691505 /nfs/dbraw/zinc/69/15/05/794691505.db2.gz NVKXSRSNIJTWNW-ZDUSSCGKSA-N 1 0 339.392 -1.194 20 0 EAADRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC(N)=O)C(N)=O)cc1 ZINC001253078204 794691523 /nfs/dbraw/zinc/69/15/23/794691523.db2.gz ULRNUVHLZRFEME-JSGCOSHPSA-N 1 0 339.392 -1.066 20 0 EAADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](CC(N)=O)C(N)=O)cc1 ZINC001253078205 794692049 /nfs/dbraw/zinc/69/20/49/794692049.db2.gz ULRNUVHLZRFEME-OCCSQVGLSA-N 1 0 339.392 -1.066 20 0 EAADRO COC(=O)CNC(=O)C[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253165765 794692267 /nfs/dbraw/zinc/69/22/67/794692267.db2.gz MZJHTBRRUUXZRO-CYBMUJFWSA-N 1 0 340.376 -1.160 20 0 EAADRO COC(=O)CNC(=O)C[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253165766 794691425 /nfs/dbraw/zinc/69/14/25/794691425.db2.gz MZJHTBRRUUXZRO-ZDUSSCGKSA-N 1 0 340.376 -1.160 20 0 EAADRO NC(=O)C[C@H]([NH2+]C[C@H](O)COc1ccc(CCO)cc1)C(N)=O ZINC001253171407 794692796 /nfs/dbraw/zinc/69/27/96/794692796.db2.gz IGDKJXPFGWVZFS-AAEUAGOBSA-N 1 0 325.365 -1.720 20 0 EAADRO NC(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccc(CCO)cc1)C(N)=O ZINC001253171408 794692624 /nfs/dbraw/zinc/69/26/24/794692624.db2.gz IGDKJXPFGWVZFS-YPMHNXCESA-N 1 0 325.365 -1.720 20 0 EAADRO NC(=O)CNC(=O)C[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253171865 794693486 /nfs/dbraw/zinc/69/34/86/794693486.db2.gz JEUVUQOBKIZDEA-GFCCVEGCSA-N 1 0 325.365 -1.848 20 0 EAADRO NC(=O)CNC(=O)C[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253171866 794692699 /nfs/dbraw/zinc/69/26/99/794692699.db2.gz JEUVUQOBKIZDEA-LBPRGKRZSA-N 1 0 325.365 -1.848 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CCO)cc1)C(=O)NCC(N)=O ZINC001253172861 794692779 /nfs/dbraw/zinc/69/27/79/794692779.db2.gz QAFYZIGJTUDIED-AAEUAGOBSA-N 1 0 339.392 -1.459 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CCO)cc1)C(=O)NCC(N)=O ZINC001253172862 794692899 /nfs/dbraw/zinc/69/28/99/794692899.db2.gz QAFYZIGJTUDIED-WCQYABFASA-N 1 0 339.392 -1.459 20 0 EAADRO CC[NH+](CC)C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCCN2CC(=O)NC ZINC001253184049 794693497 /nfs/dbraw/zinc/69/34/97/794693497.db2.gz ACGWFICYCQIKNB-KFWWJZLASA-N 1 0 328.457 -1.180 20 0 EAADRO CC[NH+](CC)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCCN2CC(=O)NC ZINC001253184050 794692665 /nfs/dbraw/zinc/69/26/65/794692665.db2.gz ACGWFICYCQIKNB-ZNMIVQPWSA-N 1 0 328.457 -1.180 20 0 EAADRO CC[NH+](CC)C[C@@H](O)CNCCN1CCN(S(C)(=O)=O)CC1 ZINC001253208956 794693311 /nfs/dbraw/zinc/69/33/11/794693311.db2.gz VKOFXLWOAASPCN-AWEZNQCLSA-N 1 0 336.502 -1.144 20 0 EAADRO CC[NH+](CC)C[C@H](O)CNCCN1CCN(S(C)(=O)=O)CC1 ZINC001253208967 794692856 /nfs/dbraw/zinc/69/28/56/794692856.db2.gz VKOFXLWOAASPCN-CQSZACIVSA-N 1 0 336.502 -1.144 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)CNC[C@@H](O)C[NH+](CC)CC ZINC001253209783 794692941 /nfs/dbraw/zinc/69/29/41/794692941.db2.gz IPBBJKMSDUBRJP-GFCCVEGCSA-N 1 0 346.428 -1.926 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)CNC[C@H](O)C[NH+](CC)CC ZINC001253209785 794693254 /nfs/dbraw/zinc/69/32/54/794693254.db2.gz IPBBJKMSDUBRJP-LBPRGKRZSA-N 1 0 346.428 -1.926 20 0 EAADRO CC[NH+](CC)C[C@@H](O)CNCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001253217561 794692601 /nfs/dbraw/zinc/69/26/01/794692601.db2.gz YVVZLOVZOVFCJO-JRULLXGZSA-N 1 0 336.429 -1.877 20 0 EAADRO CC[NH+](CC)C[C@H](O)CNCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001253217562 794692925 /nfs/dbraw/zinc/69/29/25/794692925.db2.gz YVVZLOVZOVFCJO-RUDNTAQLSA-N 1 0 336.429 -1.877 20 0 EAADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC2(C1)NC(=O)NC2=O ZINC001253332707 794693733 /nfs/dbraw/zinc/69/37/33/794693733.db2.gz TVVSPBYZMNXQHL-LLVKDONJSA-N 1 0 337.380 -1.157 20 0 EAADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC2(C1)NC(=O)NC2=O ZINC001253332708 794693645 /nfs/dbraw/zinc/69/36/45/794693645.db2.gz TVVSPBYZMNXQHL-NSHDSACASA-N 1 0 337.380 -1.157 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)n1 ZINC001253368538 794692568 /nfs/dbraw/zinc/69/25/68/794692568.db2.gz IBOSXFLQYUOZFA-JTQLQIEISA-N 1 0 338.368 -1.904 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)n1 ZINC001253368539 794693770 /nfs/dbraw/zinc/69/37/70/794693770.db2.gz IBOSXFLQYUOZFA-SNVBAGLBSA-N 1 0 338.368 -1.904 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)n1 ZINC001253369131 794693440 /nfs/dbraw/zinc/69/34/40/794693440.db2.gz NWPXACNUCIEPSG-LLVKDONJSA-N 1 0 349.395 -1.381 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)n1 ZINC001253369136 794693035 /nfs/dbraw/zinc/69/30/35/794693035.db2.gz NWPXACNUCIEPSG-NSHDSACASA-N 1 0 349.395 -1.381 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253382901 794693492 /nfs/dbraw/zinc/69/34/92/794693492.db2.gz MFUUTXVZQVUXKN-LLVKDONJSA-N 1 0 344.318 -1.695 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001253382903 794693118 /nfs/dbraw/zinc/69/31/18/794693118.db2.gz MFUUTXVZQVUXKN-NSHDSACASA-N 1 0 344.318 -1.695 20 0 EAADRO CNC(=O)CN1CCO[C@H]2CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]21 ZINC001253390318 794692675 /nfs/dbraw/zinc/69/26/75/794692675.db2.gz MIMAJMKTRATUNO-MCIONIFRSA-N 1 0 328.457 -1.134 20 0 EAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC2(CO)COC2)C1 ZINC001253393403 794693364 /nfs/dbraw/zinc/69/33/64/794693364.db2.gz OWPZMWYFPAUACC-GFCCVEGCSA-N 1 0 328.413 -1.118 20 0 EAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC2(CO)COC2)C1 ZINC001253393413 794693347 /nfs/dbraw/zinc/69/33/47/794693347.db2.gz OWPZMWYFPAUACC-LBPRGKRZSA-N 1 0 328.413 -1.118 20 0 EAADRO CC(C)(C)[NH2+]C[C@@H](O)CNCCN1CCN(S(C)(=O)=O)CC1 ZINC001253406451 794693328 /nfs/dbraw/zinc/69/33/28/794693328.db2.gz LGPCBZIGKIEYCU-ZDUSSCGKSA-N 1 0 336.502 -1.098 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253408547 794693480 /nfs/dbraw/zinc/69/34/80/794693480.db2.gz WQXBHSVTLZWYQK-NSHDSACASA-N 1 0 346.428 -1.880 20 0 EAADRO CCOC(=O)CNC(=O)C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001253450305 794694729 /nfs/dbraw/zinc/69/47/29/794694729.db2.gz WUYJPJHKGGSCBH-UHFFFAOYSA-N 1 0 340.380 -1.071 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)COC(C)(C)C ZINC001253479773 794694890 /nfs/dbraw/zinc/69/48/90/794694890.db2.gz RZGAFRFCXOQZKC-LLVKDONJSA-N 1 0 347.412 -1.453 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)COC(C)(C)C ZINC001253479774 794694516 /nfs/dbraw/zinc/69/45/16/794694516.db2.gz RZGAFRFCXOQZKC-NSHDSACASA-N 1 0 347.412 -1.453 20 0 EAADRO C[C@@H]1O[C@@H](OCC[NH2+]C[C@@H](O)COC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001253486798 794694375 /nfs/dbraw/zinc/69/43/75/794694375.db2.gz UVXPQKDWDQCQJN-BPKMXRTBSA-N 1 0 337.413 -1.404 20 0 EAADRO C[C@@H]1O[C@@H](OCC[NH2+]C[C@H](O)COC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001253486803 794695201 /nfs/dbraw/zinc/69/52/01/794695201.db2.gz UVXPQKDWDQCQJN-DHRKEOQWSA-N 1 0 337.413 -1.404 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CC2(C1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001253538478 794695028 /nfs/dbraw/zinc/69/50/28/794695028.db2.gz GICLUKZSTKIRSO-UHFFFAOYSA-N 1 0 347.379 -1.187 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001253539054 794694778 /nfs/dbraw/zinc/69/47/78/794694778.db2.gz NMPPPXNGYUTDJD-GFCCVEGCSA-N 1 0 335.408 -1.318 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001253539055 794695123 /nfs/dbraw/zinc/69/51/23/794695123.db2.gz NMPPPXNGYUTDJD-LBPRGKRZSA-N 1 0 335.408 -1.318 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC2(C1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001253539690 794695004 /nfs/dbraw/zinc/69/50/04/794695004.db2.gz WNCZUARRIBDSRT-LLVKDONJSA-N 1 0 349.391 -1.791 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC2(C1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001253539692 794694679 /nfs/dbraw/zinc/69/46/79/794694679.db2.gz WNCZUARRIBDSRT-NSHDSACASA-N 1 0 349.391 -1.791 20 0 EAADRO Cn1nnc(C(=O)N2CC3(C2)CC[N@H+](CCN2C(=O)CCC2=O)C3)n1 ZINC001253539805 794695076 /nfs/dbraw/zinc/69/50/76/794695076.db2.gz ZGHPQVMNKKERKG-UHFFFAOYSA-N 1 0 347.379 -1.493 20 0 EAADRO CC(C)C[C@H](NC(=O)CN1C(=O)CNC1=O)C(=O)NCC[NH+](C)C ZINC001253719333 794695884 /nfs/dbraw/zinc/69/58/84/794695884.db2.gz WEPIDLZFHBLZFA-NSHDSACASA-N 1 0 341.412 -1.253 20 0 EAADRO CC(C)(C)[C@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253745332 794696481 /nfs/dbraw/zinc/69/64/81/794696481.db2.gz FFLHCMNSZHSRLV-CSBRLYRZSA-N 1 0 343.380 -1.435 20 0 EAADRO CC(C)(C)[C@@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253745333 794696013 /nfs/dbraw/zinc/69/60/13/794696013.db2.gz FFLHCMNSZHSRLV-NJIBTWPXSA-N 1 0 343.380 -1.435 20 0 EAADRO CC(C)(C)[C@@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001253748898 794696435 /nfs/dbraw/zinc/69/64/35/794696435.db2.gz PDKREXOEMJPUJU-QWRGUYRKSA-N 1 0 328.413 -1.425 20 0 EAADRO CC(C)(C)[C@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001253748899 794696322 /nfs/dbraw/zinc/69/63/22/794696322.db2.gz PDKREXOEMJPUJU-WDEREUQCSA-N 1 0 328.413 -1.425 20 0 EAADRO CN1C(=O)NC2(CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)C1=O ZINC001253749944 794696338 /nfs/dbraw/zinc/69/63/38/794696338.db2.gz NZEXQOZWBGMULS-UHFFFAOYSA-N 1 0 335.364 -1.400 20 0 EAADRO CC(C)[C@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253783955 794697642 /nfs/dbraw/zinc/69/76/42/794697642.db2.gz RONWPBHQMVGVFP-CSBRLYRZSA-N 1 0 329.353 -1.825 20 0 EAADRO CC(C)[C@@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253783957 794697365 /nfs/dbraw/zinc/69/73/65/794697365.db2.gz RONWPBHQMVGVFP-IINAIABHSA-N 1 0 329.353 -1.825 20 0 EAADRO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001253797772 794697623 /nfs/dbraw/zinc/69/76/23/794697623.db2.gz HNUQZNBMMFAIFA-SWLSCSKDSA-N 1 0 327.381 -1.277 20 0 EAADRO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001253797774 794697121 /nfs/dbraw/zinc/69/71/21/794697121.db2.gz HNUQZNBMMFAIFA-WFASDCNBSA-N 1 0 327.381 -1.277 20 0 EAADRO CCOC(=O)C[C@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253809174 794697857 /nfs/dbraw/zinc/69/78/57/794697857.db2.gz UCRNFVQAUCVOBO-LBPRGKRZSA-N 1 0 337.442 -1.533 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)CC(=O)OCC ZINC001253810172 794697549 /nfs/dbraw/zinc/69/75/49/794697549.db2.gz VGVSMZIDDGMXDK-JTQLQIEISA-N 1 0 347.368 -2.314 20 0 EAADRO CCOC(=O)C[C@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001253814538 794697711 /nfs/dbraw/zinc/69/77/11/794697711.db2.gz XGGCXQPCNUCJAL-AXVRASOTSA-N 1 0 337.369 -2.266 20 0 EAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001253831574 794698112 /nfs/dbraw/zinc/69/81/12/794698112.db2.gz GUKWSNMDKPGALB-NEPJUHHUSA-N 1 0 325.413 -1.026 20 0 EAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001253831575 794697803 /nfs/dbraw/zinc/69/78/03/794697803.db2.gz GUKWSNMDKPGALB-RYUDHWBXSA-N 1 0 325.413 -1.026 20 0 EAADRO NC(=O)[C@H](CO)[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253904276 794697755 /nfs/dbraw/zinc/69/77/55/794697755.db2.gz YRZWYGZFJXQWQE-AVGNSLFASA-N 1 0 341.318 -1.058 20 0 EAADRO NC(=O)[C@H](CO)[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253904279 794697925 /nfs/dbraw/zinc/69/79/25/794697925.db2.gz YRZWYGZFJXQWQE-RWMBFGLXSA-N 1 0 341.318 -1.058 20 0 EAADRO NC(=O)[C@H](CO)[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253904280 794697894 /nfs/dbraw/zinc/69/78/94/794697894.db2.gz YRZWYGZFJXQWQE-XQQFMLRXSA-N 1 0 341.318 -1.058 20 0 EAADRO NC(=O)[C@H](CO)[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 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NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC001255620236 794732709 /nfs/dbraw/zinc/73/27/09/794732709.db2.gz QCMOXLRYJQDKIY-UHFFFAOYSA-N 1 0 328.369 -2.021 20 0 EAADRO CCOC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C1 ZINC001256026554 794738198 /nfs/dbraw/zinc/73/81/98/794738198.db2.gz XLOVRKVCQKHNRH-SECBINFHSA-N 1 0 329.357 -2.476 20 0 EAADRO CCOC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C1 ZINC001256026558 794738398 /nfs/dbraw/zinc/73/83/98/794738398.db2.gz XLOVRKVCQKHNRH-VIFPVBQESA-N 1 0 329.357 -2.476 20 0 EAADRO CCOC(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC001256027669 794738151 /nfs/dbraw/zinc/73/81/51/794738151.db2.gz UGPDPOICGIRORR-BPKMXRTBSA-N 1 0 348.396 -1.349 20 0 EAADRO CCOC(=O)N1CC[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC001256027673 794738288 /nfs/dbraw/zinc/73/82/88/794738288.db2.gz UGPDPOICGIRORR-DHRKEOQWSA-N 1 0 348.396 -1.349 20 0 EAADRO OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2CCN(c3ncccn3)CC2)[C@@H](O)[C@@H]1O ZINC001256050711 794737590 /nfs/dbraw/zinc/73/75/90/794737590.db2.gz RDAAGIKNXCCTAG-DHGKCCLASA-N 1 0 340.380 -2.165 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCN(c3ncccn3)CC2)[C@@H](O)[C@@H]1O ZINC001256050716 794737508 /nfs/dbraw/zinc/73/75/08/794737508.db2.gz RDAAGIKNXCCTAG-KSTCHIGDSA-N 1 0 340.380 -2.165 20 0 EAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256056724 794737903 /nfs/dbraw/zinc/73/79/03/794737903.db2.gz UYWRYWZZYWYBFE-UHFFFAOYSA-N 1 0 349.395 -2.247 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)CNC1CC[NH+](C2CC2)CC1 ZINC001256069837 794738085 /nfs/dbraw/zinc/73/80/85/794738085.db2.gz MGVLRGRKTAZMLK-UHFFFAOYSA-N 1 0 340.424 -1.002 20 0 EAADRO COc1cccc(C[C@@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O)c1 ZINC001256154052 794738921 /nfs/dbraw/zinc/73/89/21/794738921.db2.gz BALFSXMLRZRXHG-LLVKDONJSA-N 1 0 336.392 -1.067 20 0 EAADRO COc1cccc(C[C@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O)c1 ZINC001256154053 794739230 /nfs/dbraw/zinc/73/92/30/794739230.db2.gz BALFSXMLRZRXHG-NSHDSACASA-N 1 0 336.392 -1.067 20 0 EAADRO C[NH+]1CCC(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)CC1 ZINC001256199764 794739048 /nfs/dbraw/zinc/73/90/48/794739048.db2.gz HJUVZNMCQSFMFM-FMKGYKFTSA-N 1 0 339.396 -1.839 20 0 EAADRO C[NH+]1CCC(N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001256200590 794739430 /nfs/dbraw/zinc/73/94/30/794739430.db2.gz XFRNPYTYDONSBM-FMKGYKFTSA-N 1 0 340.380 -1.748 20 0 EAADRO C[NH+]1CCC(NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001256201936 794738835 /nfs/dbraw/zinc/73/88/35/794738835.db2.gz UEDIFUMOLAXZGR-LBPRGKRZSA-N 1 0 325.413 -1.737 20 0 EAADRO CCOC(=O)N1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001256233960 794739373 /nfs/dbraw/zinc/73/93/73/794739373.db2.gz ZGFJFSMTYURESO-SYLRKERUSA-N 1 0 334.369 -2.003 20 0 EAADRO CCOC(=O)N1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001256233961 794738584 /nfs/dbraw/zinc/73/85/84/794738584.db2.gz ZGFJFSMTYURESO-VEGXAWMVSA-N 1 0 334.369 -2.003 20 0 EAADRO CCOC(=O)N1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001256237583 794739396 /nfs/dbraw/zinc/73/93/96/794739396.db2.gz JQBVBTJFFISXFH-UHFFFAOYSA-N 1 0 343.384 -2.085 20 0 EAADRO COC(=O)[C@H]1C[C@@H]([NH2+]C(CO)(CO)CO)CN1C(=O)OC(C)(C)C ZINC001256255748 794739677 /nfs/dbraw/zinc/73/96/77/794739677.db2.gz XRHOJOUXKAEWKA-GHMZBOCLSA-N 1 0 348.396 -1.157 20 0 EAADRO COC(=O)[C@H]1C[C@H]([NH2+]C(CO)(CO)CO)CN1C(=O)OC(C)(C)C ZINC001256255749 794740446 /nfs/dbraw/zinc/74/04/46/794740446.db2.gz XRHOJOUXKAEWKA-WDEREUQCSA-N 1 0 348.396 -1.157 20 0 EAADRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001256326469 794740574 /nfs/dbraw/zinc/74/05/74/794740574.db2.gz OISGBGWVFHIHMP-BHVHDYCFSA-N 1 0 334.369 -2.987 20 0 EAADRO C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001256326470 794740438 /nfs/dbraw/zinc/74/04/38/794740438.db2.gz OISGBGWVFHIHMP-DKJIJZLBSA-N 1 0 334.369 -2.987 20 0 EAADRO C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001256326471 794739983 /nfs/dbraw/zinc/73/99/83/794739983.db2.gz OISGBGWVFHIHMP-WBXKCMFOSA-N 1 0 334.369 -2.987 20 0 EAADRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001256326472 794740337 /nfs/dbraw/zinc/74/03/37/794740337.db2.gz OISGBGWVFHIHMP-ZZWKFIDSSA-N 1 0 334.369 -2.987 20 0 EAADRO C[C@H](CC(=O)N1CCOCC1)[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001256327268 794740023 /nfs/dbraw/zinc/74/00/23/794740023.db2.gz CBJGNXNYEHVVHN-CYBMUJFWSA-N 1 0 333.454 -1.056 20 0 EAADRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001256327271 794739927 /nfs/dbraw/zinc/73/99/27/794739927.db2.gz CBJGNXNYEHVVHN-ZDUSSCGKSA-N 1 0 333.454 -1.056 20 0 EAADRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001256334362 794739762 /nfs/dbraw/zinc/73/97/62/794739762.db2.gz SWODNFDNGFSOGX-JTQLQIEISA-N 1 0 343.384 -3.069 20 0 EAADRO C[C@H](CC(=O)N1CCOCC1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001256334366 794741719 /nfs/dbraw/zinc/74/17/19/794741719.db2.gz SWODNFDNGFSOGX-SNVBAGLBSA-N 1 0 343.384 -3.069 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCS(=O)(=O)CC1 ZINC001256378905 794741683 /nfs/dbraw/zinc/74/16/83/794741683.db2.gz INJCIPLAZJRRSS-UHFFFAOYSA-N 1 0 349.409 -2.051 20 0 EAADRO CS(=O)(=O)N1CCN(CC[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC001256380588 794741648 /nfs/dbraw/zinc/74/16/48/794741648.db2.gz ZWDRCRVFAYKACL-UHFFFAOYSA-N 1 0 339.483 -1.270 20 0 EAADRO C[C@@H]1O[C@@H](OCC[NH2+]C2CCS(=O)(=O)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001256385050 794741788 /nfs/dbraw/zinc/74/17/88/794741788.db2.gz MYNSJIJVIGJYRT-ZYJFBCHUSA-N 1 0 339.410 -2.003 20 0 EAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)n1 ZINC001256428868 794741136 /nfs/dbraw/zinc/74/11/36/794741136.db2.gz VKTDATCJUAOQNM-UHFFFAOYSA-N 1 0 346.338 -1.119 20 0 EAADRO CC(C)(C)[NH+]1CCC(NCC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001256566983 794742236 /nfs/dbraw/zinc/74/22/36/794742236.db2.gz QRWHKNRRUYCREZ-UHFFFAOYSA-N 1 0 327.429 -1.443 20 0 EAADRO CCOC(=O)CNC(=O)CNC(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256616380 794742576 /nfs/dbraw/zinc/74/25/76/794742576.db2.gz RLOMQMWMLIKZEP-YHWZYXNKSA-N 1 0 340.424 -1.003 20 0 EAADRO COc1cccc2c1CC[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001256637188 794742531 /nfs/dbraw/zinc/74/25/31/794742531.db2.gz IUVWTFHMYAXESO-AQVRVSCUSA-N 1 0 339.388 -1.058 20 0 EAADRO COc1cccc2c1CC[C@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001256637189 794742551 /nfs/dbraw/zinc/74/25/51/794742551.db2.gz IUVWTFHMYAXESO-GPJUBECRSA-N 1 0 339.388 -1.058 20 0 EAADRO COc1cccc2c1CC[C@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001256637190 794742647 /nfs/dbraw/zinc/74/26/47/794742647.db2.gz IUVWTFHMYAXESO-ICSCMOCLSA-N 1 0 339.388 -1.058 20 0 EAADRO COc1cccc2c1CC[C@@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001256637191 794742902 /nfs/dbraw/zinc/74/29/02/794742902.db2.gz IUVWTFHMYAXESO-IJDVMUIZSA-N 1 0 339.388 -1.058 20 0 EAADRO COc1cccc2c1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001256641218 794742868 /nfs/dbraw/zinc/74/28/68/794742868.db2.gz GZWLNYWGRCLLLN-GFCCVEGCSA-N 1 0 348.403 -1.140 20 0 EAADRO COc1cccc2c1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001256641219 794742795 /nfs/dbraw/zinc/74/27/95/794742795.db2.gz GZWLNYWGRCLLLN-LBPRGKRZSA-N 1 0 348.403 -1.140 20 0 EAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC001256780075 794742909 /nfs/dbraw/zinc/74/29/09/794742909.db2.gz RAGXXCDLZBNATN-UNXYVOJBSA-N 1 0 346.453 -1.407 20 0 EAADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC001256780076 794742225 /nfs/dbraw/zinc/74/22/25/794742225.db2.gz RAGXXCDLZBNATN-VOMCLLRMSA-N 1 0 346.453 -1.407 20 0 EAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC001256792053 794742466 /nfs/dbraw/zinc/74/24/66/794742466.db2.gz MTNOVJYSAATGAO-QJPTWQEYSA-N 1 0 326.397 -1.454 20 0 EAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC001256792059 794742816 /nfs/dbraw/zinc/74/28/16/794742816.db2.gz MTNOVJYSAATGAO-SDDRHHMPSA-N 1 0 326.397 -1.454 20 0 EAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001256792060 794742406 /nfs/dbraw/zinc/74/24/06/794742406.db2.gz MTNOVJYSAATGAO-SRVKXCTJSA-N 1 0 326.397 -1.454 20 0 EAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001256792061 794742877 /nfs/dbraw/zinc/74/28/77/794742877.db2.gz MTNOVJYSAATGAO-TUAOUCFPSA-N 1 0 326.397 -1.454 20 0 EAADRO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001256802458 794742690 /nfs/dbraw/zinc/74/26/90/794742690.db2.gz GBFZUUIBXXVOSH-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001256802459 794742444 /nfs/dbraw/zinc/74/24/44/794742444.db2.gz GBFZUUIBXXVOSH-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO CC[NH+](CC)CCNC(=O)C(=O)NCCS(=O)(=O)NC(C)C ZINC001256802646 794742174 /nfs/dbraw/zinc/74/21/74/794742174.db2.gz GZBCWWVBHCAFMM-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO C[NH+](C)C1(CNC(=O)C(=O)NCCNS(C)(=O)=O)CCCC1 ZINC001256858158 794743274 /nfs/dbraw/zinc/74/32/74/794743274.db2.gz UGSPCQFXHMHVSK-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC001256863032 794743812 /nfs/dbraw/zinc/74/38/12/794743812.db2.gz IXBISUPBGDZMTE-GFCCVEGCSA-N 1 0 327.381 -1.013 20 0 EAADRO COC(=O)C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC001256863033 794743068 /nfs/dbraw/zinc/74/30/68/794743068.db2.gz IXBISUPBGDZMTE-LBPRGKRZSA-N 1 0 327.381 -1.013 20 0 EAADRO C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001256863197 794743954 /nfs/dbraw/zinc/74/39/54/794743954.db2.gz JPRILKJLOXQHGG-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001256863203 794743862 /nfs/dbraw/zinc/74/38/62/794743862.db2.gz JPRILKJLOXQHGG-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NC1CC[NH+](C)CC1)CC2 ZINC001256864036 794743830 /nfs/dbraw/zinc/74/38/30/794743830.db2.gz PHGNLBZQNFFNKX-UHFFFAOYSA-N 1 0 333.392 -1.125 20 0 EAADRO CC[NH+]1CCC(NC(=O)C(=O)NCCNS(=O)(=O)CC)CC1 ZINC001256867457 794743749 /nfs/dbraw/zinc/74/37/49/794743749.db2.gz DHXYYSKIZXDELR-UHFFFAOYSA-N 1 0 334.442 -1.358 20 0 EAADRO COCCOCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001256897299 794743284 /nfs/dbraw/zinc/74/32/84/794743284.db2.gz ARDULQZUGXVUOO-CYBMUJFWSA-N 1 0 330.429 -1.482 20 0 EAADRO COCCOCCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001256897308 794743198 /nfs/dbraw/zinc/74/31/98/794743198.db2.gz ARDULQZUGXVUOO-ZDUSSCGKSA-N 1 0 330.429 -1.482 20 0 EAADRO OC[C@H]1O[C@H](O)[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@@H](O)[C@@H]1O ZINC001256906272 794743914 /nfs/dbraw/zinc/74/39/14/794743914.db2.gz ZCQKIVSJRVBOMN-HHWPUOOBSA-N 1 0 330.425 -1.217 20 0 EAADRO OC[C@H]1O[C@@H](O)[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@@H](O)[C@@H]1O ZINC001256906274 794743317 /nfs/dbraw/zinc/74/33/17/794743317.db2.gz ZCQKIVSJRVBOMN-ONGIZVEFSA-N 1 0 330.425 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794751002 /nfs/dbraw/zinc/75/10/02/794751002.db2.gz NBTMYEXVRDZHBW-WDEREUQCSA-N 1 0 336.410 -1.153 20 0 EAADRO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CC(=O)NCC(N)=O ZINC001257924777 794750956 /nfs/dbraw/zinc/75/09/56/794750956.db2.gz BFPAICBTOJQQSQ-SECBINFHSA-N 1 0 337.398 -2.066 20 0 EAADRO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CC(=O)NCC(N)=O ZINC001257924782 794751184 /nfs/dbraw/zinc/75/11/84/794751184.db2.gz BFPAICBTOJQQSQ-VIFPVBQESA-N 1 0 337.398 -2.066 20 0 EAADRO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001257925262 794750916 /nfs/dbraw/zinc/75/09/16/794750916.db2.gz DVVDEXSDMBDGPW-BDAKNGLRSA-N 1 0 337.398 -1.938 20 0 EAADRO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001257925265 794751209 /nfs/dbraw/zinc/75/12/09/794751209.db2.gz DVVDEXSDMBDGPW-IUCAKERBSA-N 1 0 337.398 -1.938 20 0 EAADRO CC(C)C[NH+]1CCC(NCC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001258009263 794750551 /nfs/dbraw/zinc/75/05/51/794750551.db2.gz TXTBJWFORKGEOM-UHFFFAOYSA-N 1 0 327.429 -1.586 20 0 EAADRO CCOC(=O)CC1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001258022861 794751234 /nfs/dbraw/zinc/75/12/34/794751234.db2.gz PGQOZVCZVGUGOK-MZLIBMBRSA-N 1 0 347.408 -1.112 20 0 EAADRO CCOC(=O)CC1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001258022863 794750839 /nfs/dbraw/zinc/75/08/39/794750839.db2.gz PGQOZVCZVGUGOK-NXOOJWMDSA-N 1 0 347.408 -1.112 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)CC1 ZINC001258029614 794751226 /nfs/dbraw/zinc/75/12/26/794751226.db2.gz YNINVWDXYQEBGI-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)CC1 ZINC001258029615 794750660 /nfs/dbraw/zinc/75/06/60/794750660.db2.gz YNINVWDXYQEBGI-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001258055368 794750971 /nfs/dbraw/zinc/75/09/71/794750971.db2.gz JOYBPELXHYEADA-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001258055369 794751303 /nfs/dbraw/zinc/75/13/03/794751303.db2.gz JOYBPELXHYEADA-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCOC(=O)CCC[C@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001258115631 794751263 /nfs/dbraw/zinc/75/12/63/794751263.db2.gz MFTZVOWWXQORJE-JTQLQIEISA-N 1 0 330.385 -1.584 20 0 EAADRO CCOC(=O)CCC[C@@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001258115632 794750812 /nfs/dbraw/zinc/75/08/12/794750812.db2.gz MFTZVOWWXQORJE-SNVBAGLBSA-N 1 0 330.385 -1.584 20 0 EAADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCNS(C)(=O)=O)CC[C@@H]21 ZINC001258190831 794752163 /nfs/dbraw/zinc/75/21/63/794752163.db2.gz DQJRQNJDJZNXMP-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCNS(C)(=O)=O)CC[C@H]21 ZINC001258190832 794752447 /nfs/dbraw/zinc/75/24/47/794752447.db2.gz DQJRQNJDJZNXMP-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCNS(C)(=O)=O)CC[C@@H]21 ZINC001258190833 794751951 /nfs/dbraw/zinc/75/19/51/794751951.db2.gz DQJRQNJDJZNXMP-RYUDHWBXSA-N 1 0 346.453 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ZINC001261630675 794791150 /nfs/dbraw/zinc/79/11/50/794791150.db2.gz SSIWCBJOKZMKFB-UHFFFAOYSA-N 1 0 336.348 -1.408 20 0 EAADRO CS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC1 ZINC001261632153 794791480 /nfs/dbraw/zinc/79/14/80/794791480.db2.gz REVKBILQXGVXGJ-NXEZZACHSA-N 1 0 335.401 -1.032 20 0 EAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001261632650 794790843 /nfs/dbraw/zinc/79/08/43/794790843.db2.gz ISSFQDLDIBGTIQ-JTQLQIEISA-N 1 0 334.442 -1.420 20 0 EAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001261632651 794791249 /nfs/dbraw/zinc/79/12/49/794791249.db2.gz ISSFQDLDIBGTIQ-SNVBAGLBSA-N 1 0 334.442 -1.420 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001261632653 794791096 /nfs/dbraw/zinc/79/10/96/794791096.db2.gz IXTPCYJYKLOZRF-JTQLQIEISA-N 1 0 334.442 -1.502 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001261632654 794790757 /nfs/dbraw/zinc/79/07/57/794790757.db2.gz IXTPCYJYKLOZRF-SNVBAGLBSA-N 1 0 334.442 -1.502 20 0 EAADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1COCC12OCCO2 ZINC001261632848 794791268 /nfs/dbraw/zinc/79/12/68/794791268.db2.gz OUCQBFBUWSLGKN-NWDGAFQWSA-N 1 0 341.408 -1.004 20 0 EAADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1COCC12OCCO2 ZINC001261632849 794791501 /nfs/dbraw/zinc/79/15/01/794791501.db2.gz OUCQBFBUWSLGKN-RYUDHWBXSA-N 1 0 341.408 -1.004 20 0 EAADRO O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261632852 794790673 /nfs/dbraw/zinc/79/06/73/794790673.db2.gz PASMFSSQXSEKRN-AVERBVTBSA-N 1 0 339.392 -1.107 20 0 EAADRO O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261632853 794791360 /nfs/dbraw/zinc/79/13/60/794791360.db2.gz PASMFSSQXSEKRN-MQYJIDSJSA-N 1 0 339.392 -1.107 20 0 EAADRO CS(=O)(=O)CCOCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261632883 794791192 /nfs/dbraw/zinc/79/11/92/794791192.db2.gz PQXWWDYHSMHXNW-UHFFFAOYSA-N 1 0 333.410 -1.968 20 0 EAADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001261633100 794790712 /nfs/dbraw/zinc/79/07/12/794790712.db2.gz WNWAGMDBDPVFJU-VXGBXAGGSA-N 1 0 343.403 -1.789 20 0 EAADRO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCC1)NS(C)(=O)=O ZINC001261633129 794791203 /nfs/dbraw/zinc/79/12/03/794791203.db2.gz XDNIQYRUNSIEDG-UHFFFAOYSA-N 1 0 334.442 -1.182 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCOC(F)(F)F)n1 ZINC001261633172 794791228 /nfs/dbraw/zinc/79/12/28/794791228.db2.gz YLXQLXUWCRKZKY-UHFFFAOYSA-N 1 0 337.258 -1.090 20 0 EAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001261633206 794791369 /nfs/dbraw/zinc/79/13/69/794791369.db2.gz ZOCUCXZPEGAZSR-JTQLQIEISA-N 1 0 334.442 -1.278 20 0 EAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001261633207 794790753 /nfs/dbraw/zinc/79/07/53/794790753.db2.gz ZOCUCXZPEGAZSR-SNVBAGLBSA-N 1 0 334.442 -1.278 20 0 EAADRO Cc1cncc(CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)n1 ZINC001261633258 794790779 /nfs/dbraw/zinc/79/07/79/794790779.db2.gz AWDJIIUJOVDLNA-UHFFFAOYSA-N 1 0 334.380 -2.008 20 0 EAADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001261633372 794792325 /nfs/dbraw/zinc/79/23/25/794792325.db2.gz DWWBJVWCDJDNAL-UHFFFAOYSA-N 1 0 335.430 -2.337 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC001261633404 794792061 /nfs/dbraw/zinc/79/20/61/794792061.db2.gz FNPBSSHSEXGQIP-DDHJBXDOSA-N 1 0 344.387 -1.364 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC001261633405 794792176 /nfs/dbraw/zinc/79/21/76/794792176.db2.gz FNPBSSHSEXGQIP-IRCOFANPSA-N 1 0 344.387 -1.364 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC001261633406 794792453 /nfs/dbraw/zinc/79/24/53/794792453.db2.gz FNPBSSHSEXGQIP-KKOKHZNYSA-N 1 0 344.387 -1.364 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC001261633407 794792361 /nfs/dbraw/zinc/79/23/61/794792361.db2.gz FNPBSSHSEXGQIP-QCNOEVLYSA-N 1 0 344.387 -1.364 20 0 EAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC001261633721 794792380 /nfs/dbraw/zinc/79/23/80/794792380.db2.gz NETIRUJXJDFAAV-UHFFFAOYSA-N 1 0 347.441 -2.195 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])O1 ZINC001261633745 794792265 /nfs/dbraw/zinc/79/22/65/794792265.db2.gz OFDJXJQTMSMNFU-GHMZBOCLSA-N 1 0 328.413 -1.066 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])O1 ZINC001261633746 794792195 /nfs/dbraw/zinc/79/21/95/794792195.db2.gz OFDJXJQTMSMNFU-MNOVXSKESA-N 1 0 328.413 -1.066 20 0 EAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])O1 ZINC001261633747 794792569 /nfs/dbraw/zinc/79/25/69/794792569.db2.gz OFDJXJQTMSMNFU-QWRGUYRKSA-N 1 0 328.413 -1.066 20 0 EAADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])O1 ZINC001261633748 794792232 /nfs/dbraw/zinc/79/22/32/794792232.db2.gz OFDJXJQTMSMNFU-WDEREUQCSA-N 1 0 328.413 -1.066 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261633806 794792543 /nfs/dbraw/zinc/79/25/43/794792543.db2.gz QAKXSQPJYKZWAO-LLVKDONJSA-N 1 0 336.458 -1.126 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC001261633925 794792292 /nfs/dbraw/zinc/79/22/92/794792292.db2.gz TZNPJMCSSLMYQZ-NEPJUHHUSA-N 1 0 346.453 -1.406 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC001261633926 794792605 /nfs/dbraw/zinc/79/26/05/794792605.db2.gz TZNPJMCSSLMYQZ-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC001261633933 794792094 /nfs/dbraw/zinc/79/20/94/794792094.db2.gz UBIIYYIWYGQARL-LLVKDONJSA-N 1 0 347.441 -2.195 20 0 EAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC001261633934 794792077 /nfs/dbraw/zinc/79/20/77/794792077.db2.gz UBIIYYIWYGQARL-NSHDSACASA-N 1 0 347.441 -2.195 20 0 EAADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001261634047 794792207 /nfs/dbraw/zinc/79/22/07/794792207.db2.gz WUYUWKFIFCREOA-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC001261634104 794791886 /nfs/dbraw/zinc/79/18/86/794791886.db2.gz YKYUHVLNFAPFKA-LLVKDONJSA-N 1 0 346.453 -1.406 20 0 EAADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC[C@H]1F ZINC001261634116 794792314 /nfs/dbraw/zinc/79/23/14/794792314.db2.gz YSNKUOOVFMJDKS-NXEZZACHSA-N 1 0 325.348 -1.403 20 0 EAADRO NC(=O)c1csc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)n1 ZINC001261634120 794792614 /nfs/dbraw/zinc/79/26/14/794792614.db2.gz YYSZRJZSYRPWCJ-MRVPVSSYSA-N 1 0 325.394 -1.026 20 0 EAADRO NC(=O)c1csc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)n1 ZINC001261634121 794792565 /nfs/dbraw/zinc/79/25/65/794792565.db2.gz YYSZRJZSYRPWCJ-QMMMGPOBSA-N 1 0 325.394 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCN1S(C)(=O)=O ZINC001261634144 794792001 /nfs/dbraw/zinc/79/20/01/794792001.db2.gz ZPGRDIAWCSYYSA-SNVBAGLBSA-N 1 0 332.426 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-1.094 20 0 EAADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC001261634862 794792009 /nfs/dbraw/zinc/79/20/09/794792009.db2.gz PJBRJIGRTXDECY-MNOVXSKESA-N 1 0 326.397 -1.094 20 0 EAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC001261634863 794792126 /nfs/dbraw/zinc/79/21/26/794792126.db2.gz PJBRJIGRTXDECY-QWRGUYRKSA-N 1 0 326.397 -1.094 20 0 EAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC001261634864 794791908 /nfs/dbraw/zinc/79/19/08/794791908.db2.gz PJBRJIGRTXDECY-WDEREUQCSA-N 1 0 326.397 -1.094 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001261635014 794792556 /nfs/dbraw/zinc/79/25/56/794792556.db2.gz SNILHVKGWDYSBU-GARJFASQSA-N 1 0 349.409 -2.591 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001261635015 794791944 /nfs/dbraw/zinc/79/19/44/794791944.db2.gz SNILHVKGWDYSBU-GMTAPVOTSA-N 1 0 349.409 -2.591 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001261635016 794792387 /nfs/dbraw/zinc/79/23/87/794792387.db2.gz SNILHVKGWDYSBU-HBNTYKKESA-N 1 0 349.409 -2.591 20 0 EAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001261635017 794792472 /nfs/dbraw/zinc/79/24/72/794792472.db2.gz SNILHVKGWDYSBU-OUAUKWLOSA-N 1 0 349.409 -2.591 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001261635085 794792461 /nfs/dbraw/zinc/79/24/61/794792461.db2.gz VPXCDUBMEVLSMW-GHMZBOCLSA-N 1 0 334.442 -1.374 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001261635086 794792392 /nfs/dbraw/zinc/79/23/92/794792392.db2.gz VPXCDUBMEVLSMW-WDEREUQCSA-N 1 0 334.442 -1.374 20 0 EAADRO CN(C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)S(C)(=O)=O ZINC001261635100 794791982 /nfs/dbraw/zinc/79/19/82/794791982.db2.gz VZRDHRYZHFOEMV-JTQLQIEISA-N 1 0 332.426 -1.653 20 0 EAADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001261635413 794792604 /nfs/dbraw/zinc/79/26/04/794792604.db2.gz DPLZHGZDFHDLDY-WOPDTQHZSA-N 1 0 326.397 -1.408 20 0 EAADRO [NH3+]CCN(CCO)C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001261635522 794792546 /nfs/dbraw/zinc/79/25/46/794792546.db2.gz HKKFUZDZZFAWCR-UHFFFAOYSA-N 1 0 349.331 -2.141 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCO[C@@H]2CC2(F)F)n1 ZINC001261635534 794792506 /nfs/dbraw/zinc/79/25/06/794792506.db2.gz HXYFUEKBHUJWIZ-MRVPVSSYSA-N 1 0 345.306 -1.203 20 0 EAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCO[C@H]2CC2(F)F)n1 ZINC001261635535 794791965 /nfs/dbraw/zinc/79/19/65/794791965.db2.gz HXYFUEKBHUJWIZ-QMMMGPOBSA-N 1 0 345.306 -1.203 20 0 EAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC001261635536 794792041 /nfs/dbraw/zinc/79/20/41/794792041.db2.gz HYKFIGYLZBZQFE-JTQLQIEISA-N 1 0 332.426 -1.476 20 0 EAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC001261635537 794792520 /nfs/dbraw/zinc/79/25/20/794792520.db2.gz HYKFIGYLZBZQFE-SNVBAGLBSA-N 1 0 332.426 -1.476 20 0 EAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC001261635798 794792250 /nfs/dbraw/zinc/79/22/50/794792250.db2.gz PNFUAWCDBAUKFB-LOIXOFCESA-N 1 0 325.365 -1.355 20 0 EAADRO COC(=O)C[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC001261635799 794792608 /nfs/dbraw/zinc/79/26/08/794792608.db2.gz PNFUAWCDBAUKFB-VTWZXRTESA-N 1 0 325.365 -1.355 20 0 EAADRO CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001261635986 794792532 /nfs/dbraw/zinc/79/25/32/794792532.db2.gz VHVHKGGHTITCBL-LLVKDONJSA-N 1 0 347.437 -1.354 20 0 EAADRO CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001261635987 794792613 /nfs/dbraw/zinc/79/26/13/794792613.db2.gz VHVHKGGHTITCBL-NSHDSACASA-N 1 0 347.437 -1.354 20 0 EAADRO CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC001261636072 794792416 /nfs/dbraw/zinc/79/24/16/794792416.db2.gz XVLVXMYNHKEKQW-JTQLQIEISA-N 1 0 333.410 -1.744 20 0 EAADRO CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC001261636073 794792306 /nfs/dbraw/zinc/79/23/06/794792306.db2.gz XVLVXMYNHKEKQW-SNVBAGLBSA-N 1 0 333.410 -1.744 20 0 EAADRO CS(=O)(=O)C1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCCCC1 ZINC001261636121 794791896 /nfs/dbraw/zinc/79/18/96/794791896.db2.gz ZINYFCJZZQTPNX-UHFFFAOYSA-N 1 0 349.453 -1.370 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC001261636151 794792578 /nfs/dbraw/zinc/79/25/78/794792578.db2.gz ZUQYVAGWJFDZDA-PAPNWUEJSA-N 1 0 325.365 -1.357 20 0 EAADRO COC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCO1 ZINC001261636163 794792439 /nfs/dbraw/zinc/79/24/39/794792439.db2.gz AGAGNGYPGMHANN-JTQLQIEISA-N 1 0 339.352 -1.869 20 0 EAADRO COC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCO1 ZINC001261636164 794792255 /nfs/dbraw/zinc/79/22/55/794792255.db2.gz AGAGNGYPGMHANN-SNVBAGLBSA-N 1 0 339.352 -1.869 20 0 EAADRO CCN(C1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1)S(C)(=O)=O ZINC001261636346 794792609 /nfs/dbraw/zinc/79/26/09/794792609.db2.gz GYVMYPQUQATRAT-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CCN(C1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1)S(C)(=O)=O ZINC001261636347 794792107 /nfs/dbraw/zinc/79/21/07/794792107.db2.gz GYVMYPQUQATRAT-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC001261636704 794792244 /nfs/dbraw/zinc/79/22/44/794792244.db2.gz SUFKNVNYHWNMTM-LLVKDONJSA-N 1 0 348.469 -1.017 20 0 EAADRO CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC001261636705 794792166 /nfs/dbraw/zinc/79/21/66/794792166.db2.gz SUFKNVNYHWNMTM-NSHDSACASA-N 1 0 348.469 -1.017 20 0 EAADRO CCS(=O)(=O)NCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001261643638 794792270 /nfs/dbraw/zinc/79/22/70/794792270.db2.gz ZUAOJWLXSKDYOS-UHFFFAOYSA-N 1 0 330.414 -1.128 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)C1 ZINC001261644509 794792026 /nfs/dbraw/zinc/79/20/26/794792026.db2.gz DCYHEIXMHDDNEP-GRYCIOLGSA-N 1 0 346.453 -1.326 20 0 EAADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)C1 ZINC001261644510 794792085 /nfs/dbraw/zinc/79/20/85/794792085.db2.gz DCYHEIXMHDDNEP-IJLUTSLNSA-N 1 0 346.453 -1.326 20 0 EAADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)C1 ZINC001261644511 794792333 /nfs/dbraw/zinc/79/23/33/794792333.db2.gz DCYHEIXMHDDNEP-UTUOFQBUSA-N 1 0 346.453 -1.326 20 0 EAADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)C1 ZINC001261644512 794792287 /nfs/dbraw/zinc/79/22/87/794792287.db2.gz DCYHEIXMHDDNEP-WOPDTQHZSA-N 1 0 346.453 -1.326 20 0 EAADRO COCCCN(C(=O)C(=O)N(C)CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC001261644872 794792280 /nfs/dbraw/zinc/79/22/80/794792280.db2.gz PTNYGVMLTAKHHZ-GFCCVEGCSA-N 1 0 349.453 -1.154 20 0 EAADRO COCCCN(C(=O)C(=O)N(C)CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC001261644873 794791990 /nfs/dbraw/zinc/79/19/90/794791990.db2.gz PTNYGVMLTAKHHZ-LBPRGKRZSA-N 1 0 349.453 -1.154 20 0 EAADRO COCC(=O)NC1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC001261645028 794792607 /nfs/dbraw/zinc/79/26/07/794792607.db2.gz SSUPFEWGPHHGEJ-UHFFFAOYSA-N 1 0 328.413 -1.064 20 0 EAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001261645063 794792399 /nfs/dbraw/zinc/79/23/99/794792399.db2.gz ULYJDURPHKHBLO-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001261645064 794792340 /nfs/dbraw/zinc/79/23/40/794792340.db2.gz ULYJDURPHKHBLO-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC[C@H]1F ZINC001261645254 794792602 /nfs/dbraw/zinc/79/26/02/794792602.db2.gz ZYDFHTZSCFWQIE-DBIOUOCHSA-N 1 0 328.344 -1.159 20 0 EAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)C1 ZINC001261645301 794792525 /nfs/dbraw/zinc/79/25/25/794792525.db2.gz BHOBLFJPIYCLTL-NEPJUHHUSA-N 1 0 346.453 -1.311 20 0 EAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)C1 ZINC001261645302 794792409 /nfs/dbraw/zinc/79/24/09/794792409.db2.gz BHOBLFJPIYCLTL-VXGBXAGGSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCN1S(C)(=O)=O ZINC001261645483 794792425 /nfs/dbraw/zinc/79/24/25/794792425.db2.gz FXSMIGUDBDLEBN-LLVKDONJSA-N 1 0 346.453 -1.311 20 0 EAADRO CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001261645713 794792374 /nfs/dbraw/zinc/79/23/74/794792374.db2.gz MHAVARYERDHIMM-GFCCVEGCSA-N 1 0 326.397 -1.357 20 0 EAADRO CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001261645714 794792476 /nfs/dbraw/zinc/79/24/76/794792476.db2.gz MHAVARYERDHIMM-LBPRGKRZSA-N 1 0 326.397 -1.357 20 0 EAADRO COCCN(CCF)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001261645734 794792561 /nfs/dbraw/zinc/79/25/61/794792561.db2.gz MOXOKPCKJKCENB-CYBMUJFWSA-N 1 0 330.404 -1.063 20 0 EAADRO COCCN(CCF)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001261645735 794793410 /nfs/dbraw/zinc/79/34/10/794793410.db2.gz MOXOKPCKJKCENB-ZDUSSCGKSA-N 1 0 330.404 -1.063 20 0 EAADRO CNS(=O)(=O)C1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC001261645743 794793240 /nfs/dbraw/zinc/79/32/40/794793240.db2.gz MUURCUCWCRBDDB-UHFFFAOYSA-N 1 0 344.437 -1.524 20 0 EAADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCOCCF ZINC001261653393 794793019 /nfs/dbraw/zinc/79/30/19/794793019.db2.gz JOPKQJBKNLKDAX-GFCCVEGCSA-N 1 0 346.403 -1.065 20 0 EAADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCOCCF ZINC001261653394 794793298 /nfs/dbraw/zinc/79/32/98/794793298.db2.gz JOPKQJBKNLKDAX-LBPRGKRZSA-N 1 0 346.403 -1.065 20 0 EAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261668934 794793193 /nfs/dbraw/zinc/79/31/93/794793193.db2.gz VAJKGZBBGNAVPF-LLVKDONJSA-N 1 0 336.458 -1.160 20 0 EAADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261668935 794793272 /nfs/dbraw/zinc/79/32/72/794793272.db2.gz VAJKGZBBGNAVPF-NSHDSACASA-N 1 0 336.458 -1.160 20 0 EAADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCNS(C)(=O)=O ZINC001261681698 794794458 /nfs/dbraw/zinc/79/44/58/794794458.db2.gz HREMXNNBPWDJHZ-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCNS(C)(=O)=O ZINC001261681699 794794172 /nfs/dbraw/zinc/79/41/72/794794172.db2.gz HREMXNNBPWDJHZ-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO O=C(NC[C@H]1COCCO1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001261687157 794793831 /nfs/dbraw/zinc/79/38/31/794793831.db2.gz GNSXBLKVXKPPOC-KBPBESRZSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(NC[C@H]1COCCO1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001261687158 794793730 /nfs/dbraw/zinc/79/37/30/794793730.db2.gz GNSXBLKVXKPPOC-KGLIPLIRSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(NC[C@@H]1COCCO1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001261687159 794794331 /nfs/dbraw/zinc/79/43/31/794794331.db2.gz GNSXBLKVXKPPOC-UONOGXRCSA-N 1 0 341.408 -1.424 20 0 EAADRO O=C(NC[C@@H]1COCCO1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001261687160 794794043 /nfs/dbraw/zinc/79/40/43/794794043.db2.gz GNSXBLKVXKPPOC-ZIAGYGMSSA-N 1 0 341.408 -1.424 20 0 EAADRO CN(C)C(=O)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001261687265 794793924 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C[NH+](C)CCOCCNC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC001261706086 794795191 /nfs/dbraw/zinc/79/51/91/794795191.db2.gz HJYJUMSBMZTJLG-UHFFFAOYSA-N 1 0 343.409 -1.447 20 0 EAADRO C[C@@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@H]1CN(C)CCO1 ZINC001261711271 794794789 /nfs/dbraw/zinc/79/47/89/794794789.db2.gz SHWZGZZTCVBQGR-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@@H]1CN(C)CCO1 ZINC001261711272 794795203 /nfs/dbraw/zinc/79/52/03/794795203.db2.gz SHWZGZZTCVBQGR-OLZOCXBDSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@H]1CN(C)CCO1 ZINC001261711273 794795229 /nfs/dbraw/zinc/79/52/29/794795229.db2.gz SHWZGZZTCVBQGR-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@@H]1CN(C)CCO1 ZINC001261711274 794795270 /nfs/dbraw/zinc/79/52/70/794795270.db2.gz SHWZGZZTCVBQGR-STQMWFEESA-N 1 0 340.424 -1.098 20 0 EAADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261722584 794796065 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ZINC001261820026 794799567 /nfs/dbraw/zinc/79/95/67/794799567.db2.gz PAKAONYKFVDUKP-SNVBAGLBSA-N 1 0 334.442 -1.420 20 0 EAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001261820188 794801011 /nfs/dbraw/zinc/80/10/11/794801011.db2.gz SPDLNMONMACACH-JTQLQIEISA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001261820189 794800588 /nfs/dbraw/zinc/80/05/88/794800588.db2.gz SPDLNMONMACACH-SNVBAGLBSA-N 1 0 334.442 -1.372 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001261820260 794800458 /nfs/dbraw/zinc/80/04/58/794800458.db2.gz VILQTZMIKJSGCY-UHFFFAOYSA-N 1 0 338.430 -2.217 20 0 EAADRO CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001261820282 794801105 /nfs/dbraw/zinc/80/11/05/794801105.db2.gz WJSBEGUOELEZJU-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001261820283 794800733 /nfs/dbraw/zinc/80/07/33/794800733.db2.gz WJSBEGUOELEZJU-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001261820468 794801036 /nfs/dbraw/zinc/80/10/36/794801036.db2.gz AYUWICOYUUJLKE-LLVKDONJSA-N 1 0 335.426 -1.449 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001261820469 794800361 /nfs/dbraw/zinc/80/03/61/794800361.db2.gz AYUWICOYUUJLKE-NSHDSACASA-N 1 0 335.426 -1.449 20 0 EAADRO CNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC001261820802 794800496 /nfs/dbraw/zinc/80/04/96/794800496.db2.gz KCYGDNXTMQRMGZ-CYBMUJFWSA-N 1 0 334.376 -1.233 20 0 EAADRO CNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC001261820803 794800802 /nfs/dbraw/zinc/80/08/02/794800802.db2.gz KCYGDNXTMQRMGZ-ZDUSSCGKSA-N 1 0 334.376 -1.233 20 0 EAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261821017 794800739 /nfs/dbraw/zinc/80/07/39/794800739.db2.gz OIBOZEZMIBGTFN-UHFFFAOYSA-N 1 0 336.414 -2.334 20 0 EAADRO CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001261821031 794800583 /nfs/dbraw/zinc/80/05/83/794800583.db2.gz PAUOKKODFZQKFU-NEPJUHHUSA-N 1 0 349.453 -1.060 20 0 EAADRO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001261821032 794800379 /nfs/dbraw/zinc/80/03/79/794800379.db2.gz PAUOKKODFZQKFU-NWDGAFQWSA-N 1 0 349.453 -1.060 20 0 EAADRO CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001261821033 794800448 /nfs/dbraw/zinc/80/04/48/794800448.db2.gz PAUOKKODFZQKFU-RYUDHWBXSA-N 1 0 349.453 -1.060 20 0 EAADRO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001261821034 794800783 /nfs/dbraw/zinc/80/07/83/794800783.db2.gz PAUOKKODFZQKFU-VXGBXAGGSA-N 1 0 349.453 -1.060 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC001261821035 794800738 /nfs/dbraw/zinc/80/07/38/794800738.db2.gz PCDHNMCOSAZBRZ-UHFFFAOYSA-N 1 0 335.426 -1.626 20 0 EAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001261821128 794800757 /nfs/dbraw/zinc/80/07/57/794800757.db2.gz RABJVJNDHNNTNN-SECBINFHSA-N 1 0 348.450 -1.052 20 0 EAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001261821129 794800630 /nfs/dbraw/zinc/80/06/30/794800630.db2.gz RABJVJNDHNNTNN-VIFPVBQESA-N 1 0 348.450 -1.052 20 0 EAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001261821161 794800660 /nfs/dbraw/zinc/80/06/60/794800660.db2.gz SGMGBOMPBAVYNS-JTQLQIEISA-N 1 0 343.409 -1.718 20 0 EAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001261821162 794801145 /nfs/dbraw/zinc/80/11/45/794801145.db2.gz SGMGBOMPBAVYNS-SNVBAGLBSA-N 1 0 343.409 -1.718 20 0 EAADRO O=C(NCc1nc(C(F)(F)F)n[nH]1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001261821175 794800704 /nfs/dbraw/zinc/80/07/04/794800704.db2.gz SVOBOJFQGQUXBB-LURJTMIESA-N 1 0 336.274 -1.456 20 0 EAADRO O=C(NCc1nc(C(F)(F)F)n[nH]1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001261821176 794801124 /nfs/dbraw/zinc/80/11/24/794801124.db2.gz SVOBOJFQGQUXBB-ZCFIWIBFSA-N 1 0 336.274 -1.456 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)NCc1nnnn1CC1CC1 ZINC001261821326 794800441 /nfs/dbraw/zinc/80/04/41/794800441.db2.gz WXRNCGYLUAEEAS-UHFFFAOYSA-N 1 0 325.373 -1.867 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CCN(c2cccnn2)CC1 ZINC001261821335 794800651 /nfs/dbraw/zinc/80/06/51/794800651.db2.gz XFFYZXZKQRLKOE-CYBMUJFWSA-N 1 0 348.407 -1.334 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CCN(c2cccnn2)CC1 ZINC001261821336 794800897 /nfs/dbraw/zinc/80/08/97/794800897.db2.gz XFFYZXZKQRLKOE-ZDUSSCGKSA-N 1 0 348.407 -1.334 20 0 EAADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261821349 794800538 /nfs/dbraw/zinc/80/05/38/794800538.db2.gz XOTALYDPOOTHJK-GFCCVEGCSA-N 1 0 348.469 -1.160 20 0 EAADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261821350 794800642 /nfs/dbraw/zinc/80/06/42/794800642.db2.gz XOTALYDPOOTHJK-LBPRGKRZSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H]1[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCS1(=O)=O ZINC001261821470 794800826 /nfs/dbraw/zinc/80/08/26/794800826.db2.gz BOKKVGMQOSFJQU-NXEZZACHSA-N 1 0 346.409 -2.774 20 0 EAADRO C[C@@H]1[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)CCS1(=O)=O ZINC001261821477 794800770 /nfs/dbraw/zinc/80/07/70/794800770.db2.gz BUACXENMTJOCHY-VXGBXAGGSA-N 1 0 346.453 -1.910 20 0 EAADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261821535 794800843 /nfs/dbraw/zinc/80/08/43/794800843.db2.gz DJNRCOLFOPVIHC-NXEZZACHSA-N 1 0 332.368 -1.717 20 0 EAADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261821536 794800864 /nfs/dbraw/zinc/80/08/64/794800864.db2.gz DJNRCOLFOPVIHC-UWVGGRQHSA-N 1 0 332.368 -1.717 20 0 EAADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261821537 794800671 /nfs/dbraw/zinc/80/06/71/794800671.db2.gz DJNRCOLFOPVIHC-VHSXEESVSA-N 1 0 332.368 -1.717 20 0 EAADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261821538 794800686 /nfs/dbraw/zinc/80/06/86/794800686.db2.gz DJNRCOLFOPVIHC-ZJUUUORDSA-N 1 0 332.368 -1.717 20 0 EAADRO [NH3+]C1(CNC(=O)C(=O)NCCCC(=O)NC2CC2)CCOCC1 ZINC001261821544 794800926 /nfs/dbraw/zinc/80/09/26/794800926.db2.gz DONCOLXEEMISND-UHFFFAOYSA-N 1 0 326.397 -1.215 20 0 EAADRO [NH3+]CCCNC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261821610 794800871 /nfs/dbraw/zinc/80/08/71/794800871.db2.gz GOQYIVYROSQPLJ-JTQLQIEISA-N 1 0 332.368 -1.716 20 0 EAADRO [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261821611 794800857 /nfs/dbraw/zinc/80/08/57/794800857.db2.gz GOQYIVYROSQPLJ-SNVBAGLBSA-N 1 0 332.368 -1.716 20 0 EAADRO COc1ccc(CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)cn1 ZINC001261821660 794800762 /nfs/dbraw/zinc/80/07/62/794800762.db2.gz HMGOOFNOTULCJY-UHFFFAOYSA-N 1 0 349.391 -1.703 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC001261821725 794800823 /nfs/dbraw/zinc/80/08/23/794800823.db2.gz IWRHGXNIYGTCFI-UHFFFAOYSA-N 1 0 328.369 -1.830 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)CCO1 ZINC001261821750 794800648 /nfs/dbraw/zinc/80/06/48/794800648.db2.gz JLDQDXZOYLFZNY-GHMZBOCLSA-N 1 0 329.401 -1.743 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)CCO1 ZINC001261821751 794800940 /nfs/dbraw/zinc/80/09/40/794800940.db2.gz JLDQDXZOYLFZNY-MNOVXSKESA-N 1 0 329.401 -1.743 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)NCC[C@H](C)[NH2+]C)CCO1 ZINC001261821752 794801068 /nfs/dbraw/zinc/80/10/68/794801068.db2.gz JLDQDXZOYLFZNY-QWRGUYRKSA-N 1 0 329.401 -1.743 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC[C@H](C)[NH2+]C)CCO1 ZINC001261821753 794800888 /nfs/dbraw/zinc/80/08/88/794800888.db2.gz JLDQDXZOYLFZNY-WDEREUQCSA-N 1 0 329.401 -1.743 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCO1 ZINC001261821787 794800371 /nfs/dbraw/zinc/80/03/71/794800371.db2.gz KEFRXUVZQDDURD-NEPJUHHUSA-N 1 0 341.412 -1.599 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCO1 ZINC001261821788 794800781 /nfs/dbraw/zinc/80/07/81/794800781.db2.gz KEFRXUVZQDDURD-NWDGAFQWSA-N 1 0 341.412 -1.599 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCO1 ZINC001261821789 794800510 /nfs/dbraw/zinc/80/05/10/794800510.db2.gz KEFRXUVZQDDURD-RYUDHWBXSA-N 1 0 341.412 -1.599 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCO1 ZINC001261821790 794800751 /nfs/dbraw/zinc/80/07/51/794800751.db2.gz KEFRXUVZQDDURD-VXGBXAGGSA-N 1 0 341.412 -1.599 20 0 EAADRO CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001261821861 794800520 /nfs/dbraw/zinc/80/05/20/794800520.db2.gz LWDIISFRFRFDES-KBPBESRZSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001261821862 794800985 /nfs/dbraw/zinc/80/09/85/794800985.db2.gz LWDIISFRFRFDES-KGLIPLIRSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001261821863 794800599 /nfs/dbraw/zinc/80/05/99/794800599.db2.gz LWDIISFRFRFDES-UONOGXRCSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001261821864 794800721 /nfs/dbraw/zinc/80/07/21/794800721.db2.gz LWDIISFRFRFDES-ZIAGYGMSSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ncccc1S(C)(=O)=O ZINC001261821889 794800879 /nfs/dbraw/zinc/80/08/79/794800879.db2.gz MHRPPYCEZSSBIQ-VHSXEESVSA-N 1 0 340.405 -1.032 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC001261822010 794800933 /nfs/dbraw/zinc/80/09/33/794800933.db2.gz PKDMSQPYOCINEL-UTUOFQBUSA-N 1 0 327.381 -1.109 20 0 EAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC001261822011 794800675 /nfs/dbraw/zinc/80/06/75/794800675.db2.gz PKDMSQPYOCINEL-WOPDTQHZSA-N 1 0 327.381 -1.109 20 0 EAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822034 794801154 /nfs/dbraw/zinc/80/11/54/794801154.db2.gz PVDWXHNYVQHZOV-GHMZBOCLSA-N 1 0 346.395 -1.327 20 0 EAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822035 794800558 /nfs/dbraw/zinc/80/05/58/794800558.db2.gz PVDWXHNYVQHZOV-MNOVXSKESA-N 1 0 346.395 -1.327 20 0 EAADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822036 794800405 /nfs/dbraw/zinc/80/04/05/794800405.db2.gz PVDWXHNYVQHZOV-QWRGUYRKSA-N 1 0 346.395 -1.327 20 0 EAADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822037 794800787 /nfs/dbraw/zinc/80/07/87/794800787.db2.gz PVDWXHNYVQHZOV-WDEREUQCSA-N 1 0 346.395 -1.327 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001261822066 794800420 /nfs/dbraw/zinc/80/04/20/794800420.db2.gz QNXKUMNPSITXBX-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001261822067 794800729 /nfs/dbraw/zinc/80/07/29/794800729.db2.gz QNXKUMNPSITXBX-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC001261822124 794801137 /nfs/dbraw/zinc/80/11/37/794801137.db2.gz RYJQOHJZUTYHOF-JTQLQIEISA-N 1 0 327.385 -2.353 20 0 EAADRO COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001261822264 794801029 /nfs/dbraw/zinc/80/10/29/794801029.db2.gz WBUZCGROKWBGIC-MNOVXSKESA-N 1 0 331.369 -1.873 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCO1 ZINC001261822296 794801076 /nfs/dbraw/zinc/80/10/76/794801076.db2.gz WNDYRVIJQKNWTQ-GHMZBOCLSA-N 1 0 343.384 -2.753 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCO1 ZINC001261822297 794800620 /nfs/dbraw/zinc/80/06/20/794800620.db2.gz WNDYRVIJQKNWTQ-MNOVXSKESA-N 1 0 343.384 -2.753 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCO1 ZINC001261822298 794800389 /nfs/dbraw/zinc/80/03/89/794800389.db2.gz WNDYRVIJQKNWTQ-QWRGUYRKSA-N 1 0 343.384 -2.753 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCO1 ZINC001261822299 794800662 /nfs/dbraw/zinc/80/06/62/794800662.db2.gz WNDYRVIJQKNWTQ-WDEREUQCSA-N 1 0 343.384 -2.753 20 0 EAADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC001261822304 794800484 /nfs/dbraw/zinc/80/04/84/794800484.db2.gz WRXKESGNYDFVBW-UHFFFAOYSA-N 1 0 333.396 -1.094 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC001261822333 794800850 /nfs/dbraw/zinc/80/08/50/794800850.db2.gz XSVNERDICGOOQN-CMPLNLGQSA-N 1 0 346.453 -1.372 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC001261822334 794800636 /nfs/dbraw/zinc/80/06/36/794800636.db2.gz XSVNERDICGOOQN-JQWIXIFHSA-N 1 0 346.453 -1.372 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC001261822335 794800679 /nfs/dbraw/zinc/80/06/79/794800679.db2.gz XSVNERDICGOOQN-PWSUYJOCSA-N 1 0 346.453 -1.372 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC001261822336 794800718 /nfs/dbraw/zinc/80/07/18/794800718.db2.gz XSVNERDICGOOQN-ZYHUDNBSSA-N 1 0 346.453 -1.372 20 0 EAADRO CC[NH2+]CCNC(=O)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001261822404 794800919 /nfs/dbraw/zinc/80/09/19/794800919.db2.gz ZCCOWXMBZDXZHT-UHFFFAOYSA-N 1 0 341.412 -2.091 20 0 EAADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822567 794800606 /nfs/dbraw/zinc/80/06/06/794800606.db2.gz DCGOOKXMYDVWFP-GHMZBOCLSA-N 1 0 346.395 -1.375 20 0 EAADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822568 794800774 /nfs/dbraw/zinc/80/07/74/794800774.db2.gz DCGOOKXMYDVWFP-MNOVXSKESA-N 1 0 346.395 -1.375 20 0 EAADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822569 794800713 /nfs/dbraw/zinc/80/07/13/794800713.db2.gz DCGOOKXMYDVWFP-QWRGUYRKSA-N 1 0 346.395 -1.375 20 0 EAADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001261822570 794800914 /nfs/dbraw/zinc/80/09/14/794800914.db2.gz DCGOOKXMYDVWFP-WDEREUQCSA-N 1 0 346.395 -1.375 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC001261822669 794800799 /nfs/dbraw/zinc/80/07/99/794800799.db2.gz GPKISHWQLXOQLP-UHFFFAOYSA-N 1 0 327.389 -1.604 20 0 EAADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261822732 794800700 /nfs/dbraw/zinc/80/07/00/794800700.db2.gz ICYBNDRLXNMOPT-LLVKDONJSA-N 1 0 349.453 -1.108 20 0 EAADRO CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261822733 794800566 /nfs/dbraw/zinc/80/05/66/794800566.db2.gz ICYBNDRLXNMOPT-NSHDSACASA-N 1 0 349.453 -1.108 20 0 EAADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261822875 794800683 /nfs/dbraw/zinc/80/06/83/794800683.db2.gz KRVDQLLYTAWGFL-GFCCVEGCSA-N 1 0 328.413 -1.553 20 0 EAADRO C[C@H]1COCCN1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261822876 794800529 /nfs/dbraw/zinc/80/05/29/794800529.db2.gz KRVDQLLYTAWGFL-LBPRGKRZSA-N 1 0 328.413 -1.553 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC001261822961 794800429 /nfs/dbraw/zinc/80/04/29/794800429.db2.gz NANGJBRBYZXVRJ-NXEZZACHSA-N 1 0 337.398 -2.733 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC001261822962 794800978 /nfs/dbraw/zinc/80/09/78/794800978.db2.gz NANGJBRBYZXVRJ-UWVGGRQHSA-N 1 0 337.398 -2.733 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC001261822963 794801060 /nfs/dbraw/zinc/80/10/60/794801060.db2.gz NANGJBRBYZXVRJ-VHSXEESVSA-N 1 0 337.398 -2.733 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC001261822964 794800614 /nfs/dbraw/zinc/80/06/14/794800614.db2.gz NANGJBRBYZXVRJ-ZJUUUORDSA-N 1 0 337.398 -2.733 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001261822982 794800790 /nfs/dbraw/zinc/80/07/90/794800790.db2.gz OBLCQHDYSVDDQJ-UHFFFAOYSA-N 1 0 333.332 -1.113 20 0 EAADRO CO[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001261823005 794800742 /nfs/dbraw/zinc/80/07/42/794800742.db2.gz OJMYHLWDVHDAOD-LBPRGKRZSA-N 1 0 341.412 -1.693 20 0 EAADRO COCCCOC1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001261823108 794800819 /nfs/dbraw/zinc/80/08/19/794800819.db2.gz QPSNFZJDSDCZKC-UHFFFAOYSA-N 1 0 329.397 -1.126 20 0 EAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001261823330 794801051 /nfs/dbraw/zinc/80/10/51/794801051.db2.gz WCRQBYUFUHDMPL-JTQLQIEISA-N 1 0 332.426 -1.653 20 0 EAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001261823331 794801046 /nfs/dbraw/zinc/80/10/46/794801046.db2.gz WCRQBYUFUHDMPL-SNVBAGLBSA-N 1 0 332.426 -1.653 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC001261823344 794801162 /nfs/dbraw/zinc/80/11/62/794801162.db2.gz WMSKTYIGEWSVHN-LLVKDONJSA-N 1 0 341.412 -1.612 20 0 EAADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC001261823345 794800575 /nfs/dbraw/zinc/80/05/75/794800575.db2.gz WMSKTYIGEWSVHN-NSHDSACASA-N 1 0 341.412 -1.612 20 0 EAADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001261823455 794800809 /nfs/dbraw/zinc/80/08/09/794800809.db2.gz ZJFKJYAHGDZORF-NEPJUHHUSA-N 1 0 346.453 -1.407 20 0 EAADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001261823456 794800963 /nfs/dbraw/zinc/80/09/63/794800963.db2.gz ZJFKJYAHGDZORF-NWDGAFQWSA-N 1 0 346.453 -1.407 20 0 EAADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001261823457 794800834 /nfs/dbraw/zinc/80/08/34/794800834.db2.gz ZJFKJYAHGDZORF-RYUDHWBXSA-N 1 0 346.453 -1.407 20 0 EAADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001261823458 794800949 /nfs/dbraw/zinc/80/09/49/794800949.db2.gz ZJFKJYAHGDZORF-VXGBXAGGSA-N 1 0 346.453 -1.407 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC001261823517 794801015 /nfs/dbraw/zinc/80/10/15/794801015.db2.gz AWHPYKNLMPHLRD-UHFFFAOYSA-N 1 0 340.424 -1.048 20 0 EAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001261823544 794800994 /nfs/dbraw/zinc/80/09/94/794800994.db2.gz BPJUJBZUPUCBTO-MXWKQRLJSA-N 1 0 326.353 -1.952 20 0 EAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001261823545 794801976 /nfs/dbraw/zinc/80/19/76/794801976.db2.gz BPJUJBZUPUCBTO-VWYCJHECSA-N 1 0 326.353 -1.952 20 0 EAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CCO1 ZINC001261823610 794802083 /nfs/dbraw/zinc/80/20/83/794802083.db2.gz DBOUMJZOKKDCHD-GFCCVEGCSA-N 1 0 330.385 -2.169 20 0 EAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CCO1 ZINC001261823611 794801713 /nfs/dbraw/zinc/80/17/13/794801713.db2.gz DBOUMJZOKKDCHD-LBPRGKRZSA-N 1 0 330.385 -2.169 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)NCc1nnnn1-c1ccccc1 ZINC001261823754 794801670 /nfs/dbraw/zinc/80/16/70/794801670.db2.gz HOVAFUTWZIYKFY-UHFFFAOYSA-N 1 0 347.379 -1.369 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001261823911 794801503 /nfs/dbraw/zinc/80/15/03/794801503.db2.gz MANIGSIFFMCSFD-SNVBAGLBSA-N 1 0 328.369 -1.878 20 0 EAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001261823983 794801710 /nfs/dbraw/zinc/80/17/10/794801710.db2.gz NZOHAKANGJVGAJ-UHFFFAOYSA-N 1 0 328.369 -1.560 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC001261824042 794802105 /nfs/dbraw/zinc/80/21/05/794802105.db2.gz PINRIFFNLHFIJB-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC001261824043 794801610 /nfs/dbraw/zinc/80/16/10/794801610.db2.gz PINRIFFNLHFIJB-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO [NH3+]CCCOCCNC(=O)C(=O)NCc1nnnn1-c1ccccc1 ZINC001261824366 794801740 /nfs/dbraw/zinc/80/17/40/794801740.db2.gz WGOBFKAYDKRLSJ-UHFFFAOYSA-N 1 0 347.379 -1.240 20 0 EAADRO COC(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001261824396 794802239 /nfs/dbraw/zinc/80/22/39/794802239.db2.gz WTJZTOQTYJNJOO-LLVKDONJSA-N 1 0 328.369 -1.562 20 0 EAADRO COC(=O)NC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001261824397 794801554 /nfs/dbraw/zinc/80/15/54/794801554.db2.gz WTJZTOQTYJNJOO-NSHDSACASA-N 1 0 328.369 -1.562 20 0 EAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC001261824419 794802315 /nfs/dbraw/zinc/80/23/15/794802315.db2.gz XQHDKJQFCUTBCB-UHFFFAOYSA-N 1 0 328.369 -1.878 20 0 EAADRO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC001261824549 794801497 /nfs/dbraw/zinc/80/14/97/794801497.db2.gz BOGGSJCFCYZIPP-WCQYABFASA-N 1 0 340.424 -1.146 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001261824802 794801585 /nfs/dbraw/zinc/80/15/85/794801585.db2.gz KQXTYJFKGRPTOL-CMPLNLGQSA-N 1 0 346.453 -1.265 20 0 EAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001261824808 794802298 /nfs/dbraw/zinc/80/22/98/794802298.db2.gz KSJBXHBSPKYWPE-SNVBAGLBSA-N 1 0 333.414 -2.585 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001261825081 794801720 /nfs/dbraw/zinc/80/17/20/794801720.db2.gz UMVRSCAGDMASMG-CYBMUJFWSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001261825082 794801728 /nfs/dbraw/zinc/80/17/28/794801728.db2.gz UMVRSCAGDMASMG-ZDUSSCGKSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001261825195 794801448 /nfs/dbraw/zinc/80/14/48/794801448.db2.gz YELGRWFYCVDUJY-CMPLNLGQSA-N 1 0 346.453 -1.265 20 0 EAADRO COCCn1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC001261827552 794802267 /nfs/dbraw/zinc/80/22/67/794802267.db2.gz DQPQLRNWEUBPGL-LLVKDONJSA-N 1 0 325.369 -1.349 20 0 EAADRO NC(=O)Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001261827721 794802068 /nfs/dbraw/zinc/80/20/68/794802068.db2.gz LDAUDOVSXYAPEZ-CYBMUJFWSA-N 1 0 334.376 -1.164 20 0 EAADRO COC(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC001261828059 794802054 /nfs/dbraw/zinc/80/20/54/794802054.db2.gz WWCJZBFKWQKYMS-SNVBAGLBSA-N 1 0 336.348 -1.011 20 0 EAADRO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1ccnc(OCCO)c1 ZINC001261828705 794802138 /nfs/dbraw/zinc/80/21/38/794802138.db2.gz RUGVYDJTNBTGIM-LBPRGKRZSA-N 1 0 338.364 -1.426 20 0 EAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001261830819 794801953 /nfs/dbraw/zinc/80/19/53/794801953.db2.gz JQTSJAUOQVJBRH-UMSGYPCISA-N 1 0 327.381 -2.145 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001261837400 794801594 /nfs/dbraw/zinc/80/15/94/794801594.db2.gz BWJWMEOKLIMCTK-LLVKDONJSA-N 1 0 335.426 -1.544 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001261837401 794801518 /nfs/dbraw/zinc/80/15/18/794801518.db2.gz BWJWMEOKLIMCTK-NSHDSACASA-N 1 0 335.426 -1.544 20 0 EAADRO CCN(C(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC001261837472 794801760 /nfs/dbraw/zinc/80/17/60/794801760.db2.gz FGDOOABCZGHQSS-LLVKDONJSA-N 1 0 335.426 -1.544 20 0 EAADRO CCN(C(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC001261837473 794801639 /nfs/dbraw/zinc/80/16/39/794801639.db2.gz FGDOOABCZGHQSS-NSHDSACASA-N 1 0 335.426 -1.544 20 0 EAADRO CCC(=O)N1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC001261837654 794801907 /nfs/dbraw/zinc/80/19/07/794801907.db2.gz JZCRKQPTNFIHTP-UHFFFAOYSA-N 1 0 328.413 -1.109 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC001261838186 794801676 /nfs/dbraw/zinc/80/16/76/794801676.db2.gz ZEPJLDIIVMTHNJ-UHFFFAOYSA-N 1 0 344.412 -2.002 20 0 EAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC001261838239 794802309 /nfs/dbraw/zinc/80/23/09/794802309.db2.gz APGFSGSKYVIJSF-GFCCVEGCSA-N 1 0 333.396 -1.412 20 0 EAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC001261838240 794801892 /nfs/dbraw/zinc/80/18/92/794801892.db2.gz APGFSGSKYVIJSF-LBPRGKRZSA-N 1 0 333.396 -1.412 20 0 EAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001261838269 794801703 /nfs/dbraw/zinc/80/17/03/794801703.db2.gz BBPAYZGZURJMAZ-JTQLQIEISA-N 1 0 349.395 -1.639 20 0 EAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001261838305 794801849 /nfs/dbraw/zinc/80/18/49/794801849.db2.gz BUDSYIGTDMRPNX-UHFFFAOYSA-N 1 0 328.413 -1.469 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@]12CCOC2=O ZINC001261838405 794802086 /nfs/dbraw/zinc/80/20/86/794802086.db2.gz FTBVWXYKLWWFHH-HNNXBMFYSA-N 1 0 327.381 -1.011 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@]12CCOC2=O ZINC001261838406 794801491 /nfs/dbraw/zinc/80/14/91/794801491.db2.gz FTBVWXYKLWWFHH-OAHLLOKOSA-N 1 0 327.381 -1.011 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(N2CCOC2=O)CC1 ZINC001261838466 794801766 /nfs/dbraw/zinc/80/17/66/794801766.db2.gz HDGYQSPPQQLIBF-UHFFFAOYSA-N 1 0 342.396 -1.137 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC001261838472 794801752 /nfs/dbraw/zinc/80/17/52/794801752.db2.gz HGTUSYUINXCQJE-IJLUTSLNSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC001261838473 794801681 /nfs/dbraw/zinc/80/16/81/794801681.db2.gz HGTUSYUINXCQJE-QJPTWQEYSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC001261838474 794802274 /nfs/dbraw/zinc/80/22/74/794802274.db2.gz HGTUSYUINXCQJE-TUAOUCFPSA-N 1 0 341.412 -1.662 20 0 EAADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC001261838475 794802278 /nfs/dbraw/zinc/80/22/78/794802278.db2.gz HGTUSYUINXCQJE-UTUOFQBUSA-N 1 0 341.412 -1.662 20 0 EAADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001261838506 794801820 /nfs/dbraw/zinc/80/18/20/794801820.db2.gz HZLQFCAVVXJHIM-GFCCVEGCSA-N 1 0 346.453 -1.278 20 0 EAADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001261838507 794801783 /nfs/dbraw/zinc/80/17/83/794801783.db2.gz HZLQFCAVVXJHIM-LBPRGKRZSA-N 1 0 346.453 -1.278 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC[C@H]1[NH3+] ZINC001261838602 794802021 /nfs/dbraw/zinc/80/20/21/794802021.db2.gz KYAQBGBYPFEPHX-GRYCIOLGSA-N 1 0 326.397 -1.325 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC[C@H]1[NH3+] ZINC001261838603 794801876 /nfs/dbraw/zinc/80/18/76/794801876.db2.gz KYAQBGBYPFEPHX-IJLUTSLNSA-N 1 0 326.397 -1.325 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC[C@@H]1[NH3+] ZINC001261838604 794802090 /nfs/dbraw/zinc/80/20/90/794802090.db2.gz KYAQBGBYPFEPHX-UTUOFQBUSA-N 1 0 326.397 -1.325 20 0 EAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC[C@@H]1[NH3+] ZINC001261838605 794801484 /nfs/dbraw/zinc/80/14/84/794801484.db2.gz KYAQBGBYPFEPHX-WOPDTQHZSA-N 1 0 326.397 -1.325 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC001261838656 794801942 /nfs/dbraw/zinc/80/19/42/794801942.db2.gz LYOOZMVMFKZMKR-GFCCVEGCSA-N 1 0 344.412 -1.020 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H](OC(=O)N(C)C)C1 ZINC001261838657 794802188 /nfs/dbraw/zinc/80/21/88/794802188.db2.gz LYOOZMVMFKZMKR-LBPRGKRZSA-N 1 0 344.412 -1.020 20 0 EAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001261838676 794802303 /nfs/dbraw/zinc/80/23/03/794802303.db2.gz MJYUNRVICULVMD-LLVKDONJSA-N 1 0 341.412 -2.011 20 0 EAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001261838677 794802677 /nfs/dbraw/zinc/80/26/77/794802677.db2.gz MJYUNRVICULVMD-NSHDSACASA-N 1 0 341.412 -2.011 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CCO1 ZINC001261838726 794802534 /nfs/dbraw/zinc/80/25/34/794802534.db2.gz NKLPHGORHWSSFH-AXFHLTTASA-N 1 0 328.369 -2.336 20 0 EAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC001261838727 794803152 /nfs/dbraw/zinc/80/31/52/794803152.db2.gz NKLPHGORHWSSFH-DCAQKATOSA-N 1 0 328.369 -2.336 20 0 EAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC001261838728 794802738 /nfs/dbraw/zinc/80/27/38/794802738.db2.gz NKLPHGORHWSSFH-GARJFASQSA-N 1 0 328.369 -2.336 20 0 EAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CCO1 ZINC001261838729 794802605 /nfs/dbraw/zinc/80/26/05/794802605.db2.gz NKLPHGORHWSSFH-HBNTYKKESA-N 1 0 328.369 -2.336 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC001261838751 794803012 /nfs/dbraw/zinc/80/30/12/794803012.db2.gz NUQPIDVUDGPWEC-CYBMUJFWSA-N 1 0 340.424 -1.109 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001261838752 794802504 /nfs/dbraw/zinc/80/25/04/794802504.db2.gz NUQPIDVUDGPWEC-ZDUSSCGKSA-N 1 0 340.424 -1.109 20 0 EAADRO NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCO1 ZINC001261838761 794802531 /nfs/dbraw/zinc/80/25/31/794802531.db2.gz OABFUVWXBINHTN-NEPJUHHUSA-N 1 0 326.397 -1.323 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCO1 ZINC001261838762 794803224 /nfs/dbraw/zinc/80/32/24/794803224.db2.gz OABFUVWXBINHTN-NWDGAFQWSA-N 1 0 326.397 -1.323 20 0 EAADRO NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCO1 ZINC001261838763 794802646 /nfs/dbraw/zinc/80/26/46/794802646.db2.gz OABFUVWXBINHTN-RYUDHWBXSA-N 1 0 326.397 -1.323 20 0 EAADRO NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCO1 ZINC001261838764 794802537 /nfs/dbraw/zinc/80/25/37/794802537.db2.gz OABFUVWXBINHTN-VXGBXAGGSA-N 1 0 326.397 -1.323 20 0 EAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(CCOC)C(=O)C1 ZINC001261838771 794802984 /nfs/dbraw/zinc/80/29/84/794802984.db2.gz OFYFGKWQDZUJDB-UHFFFAOYSA-N 1 0 344.412 -2.002 20 0 EAADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCS(=O)(=O)CC1)C2 ZINC001261839399 794802551 /nfs/dbraw/zinc/80/25/51/794802551.db2.gz BXFNQJJDENPLRM-OKILXGFUSA-N 1 0 329.422 -1.299 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC001261839423 794802637 /nfs/dbraw/zinc/80/26/37/794802637.db2.gz CKWOJCBLMAEUHL-GFCCVEGCSA-N 1 0 349.453 -1.297 20 0 EAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC001261839424 794802942 /nfs/dbraw/zinc/80/29/42/794802942.db2.gz CKWOJCBLMAEUHL-LBPRGKRZSA-N 1 0 349.453 -1.297 20 0 EAADRO C[NH+]1CCN(CCCS(=O)(=O)NCCNS(C)(=O)=O)CC1 ZINC001261853183 794802883 /nfs/dbraw/zinc/80/28/83/794802883.db2.gz ZPFACHYTYHATGL-UHFFFAOYSA-N 1 0 342.487 -1.908 20 0 EAADRO CN1CCN(C)[C@@H](CNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC001261853253 794803044 /nfs/dbraw/zinc/80/30/44/794803044.db2.gz BZWZJLLEJGAPKS-HNNXBMFYSA-N 1 0 347.529 -1.211 20 0 EAADRO CN1CCN(C)[C@H](CNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC001261853254 794803168 /nfs/dbraw/zinc/80/31/68/794803168.db2.gz BZWZJLLEJGAPKS-OAHLLOKOSA-N 1 0 347.529 -1.211 20 0 EAADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001261855679 794802798 /nfs/dbraw/zinc/80/27/98/794802798.db2.gz CLVQKAMTUPSQNW-UHFFFAOYSA-N 1 0 328.413 -1.647 20 0 EAADRO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001261855853 794802704 /nfs/dbraw/zinc/80/27/04/794802704.db2.gz JDYYMRBYUFIEOR-HNNXBMFYSA-N 1 0 342.396 -1.266 20 0 EAADRO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001261855854 794802729 /nfs/dbraw/zinc/80/27/29/794802729.db2.gz JDYYMRBYUFIEOR-OAHLLOKOSA-N 1 0 342.396 -1.266 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001261873159 794803828 /nfs/dbraw/zinc/80/38/28/794803828.db2.gz NXWRSRRRQSLYLZ-AWEZNQCLSA-N 1 0 325.365 -1.713 20 0 EAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC001261873160 794804044 /nfs/dbraw/zinc/80/40/44/794804044.db2.gz NXWRSRRRQSLYLZ-CQSZACIVSA-N 1 0 325.365 -1.713 20 0 EAADRO CS(=O)(=O)N1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001261875182 794803774 /nfs/dbraw/zinc/80/37/74/794803774.db2.gz XSUBFLXSSWXTIV-TXEJJXNPSA-N 1 0 344.437 -1.557 20 0 EAADRO O=C(C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC(F)C1 ZINC001261875313 794803532 /nfs/dbraw/zinc/80/35/32/794803532.db2.gz CACUKXNVNLLAAF-AXFHLTTASA-N 1 0 326.328 -1.440 20 0 EAADRO O=C(C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC(F)C1 ZINC001261875314 794803623 /nfs/dbraw/zinc/80/36/23/794803623.db2.gz CACUKXNVNLLAAF-MXWKQRLJSA-N 1 0 326.328 -1.440 20 0 EAADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001261875445 794803872 /nfs/dbraw/zinc/80/38/72/794803872.db2.gz HMEHZARQLZLPNR-DCAQKATOSA-N 1 0 330.410 -1.901 20 0 EAADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001261875446 794804204 /nfs/dbraw/zinc/80/42/04/794804204.db2.gz HMEHZARQLZLPNR-VWYCJHECSA-N 1 0 330.410 -1.901 20 0 EAADRO CNS(=O)(=O)C1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001261875605 794803681 /nfs/dbraw/zinc/80/36/81/794803681.db2.gz MCXRBSDOOMTKHH-PHIMTYICSA-N 1 0 344.437 -1.511 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCS1(=O)=O ZINC001261875739 794804082 /nfs/dbraw/zinc/80/40/82/794804082.db2.gz PRWALRQNTCZEKI-TUAOUCFPSA-N 1 0 329.422 -1.015 20 0 EAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001261875933 794803456 /nfs/dbraw/zinc/80/34/56/794803456.db2.gz VCFMANNCUGAIMT-SRVKXCTJSA-N 1 0 344.437 -1.653 20 0 EAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001261875934 794804211 /nfs/dbraw/zinc/80/42/11/794804211.db2.gz VCFMANNCUGAIMT-WOPDTQHZSA-N 1 0 344.437 -1.653 20 0 EAADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001261876057 794803843 /nfs/dbraw/zinc/80/38/43/794803843.db2.gz YBCMJOGHHBCWPJ-GRYCIOLGSA-N 1 0 344.437 -1.511 20 0 EAADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001261876058 794803527 /nfs/dbraw/zinc/80/35/27/794803527.db2.gz YBCMJOGHHBCWPJ-TUAOUCFPSA-N 1 0 344.437 -1.511 20 0 EAADRO CN(CCF)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001261876401 794803607 /nfs/dbraw/zinc/80/36/07/794803607.db2.gz HLAAOXOTYTWMNA-AXFHLTTASA-N 1 0 328.344 -1.192 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EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001265366456 794859936 /nfs/dbraw/zinc/85/99/36/794859936.db2.gz OCDAGCOFXHZORV-QWRGUYRKSA-N 1 0 332.426 -1.844 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001265366457 794859352 /nfs/dbraw/zinc/85/93/52/794859352.db2.gz OCDAGCOFXHZORV-WDEREUQCSA-N 1 0 332.426 -1.844 20 0 EAADRO CN(CC[NH2+][C@@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1)S(C)(=O)=O ZINC001265366514 794859853 /nfs/dbraw/zinc/85/98/53/794859853.db2.gz PDCTYRGFXCSKHT-NEPJUHHUSA-N 1 0 346.453 -1.502 20 0 EAADRO CN(CC[NH2+][C@H](CNC(=O)[C@H]1CCNC1=O)C1CC1)S(C)(=O)=O ZINC001265366515 794859566 /nfs/dbraw/zinc/85/95/66/794859566.db2.gz PDCTYRGFXCSKHT-NWDGAFQWSA-N 1 0 346.453 -1.502 20 0 EAADRO CN(CC[NH2+][C@@H](CNC(=O)[C@H]1CCNC1=O)C1CC1)S(C)(=O)=O ZINC001265366516 794859582 /nfs/dbraw/zinc/85/95/82/794859582.db2.gz PDCTYRGFXCSKHT-RYUDHWBXSA-N 1 0 346.453 -1.502 20 0 EAADRO CN(CC[NH2+][C@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1)S(C)(=O)=O ZINC001265366517 794859697 /nfs/dbraw/zinc/85/96/97/794859697.db2.gz PDCTYRGFXCSKHT-VXGBXAGGSA-N 1 0 346.453 -1.502 20 0 EAADRO O=C(NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1c[nH]c(=O)cn1 ZINC001265367779 794859397 /nfs/dbraw/zinc/85/93/97/794859397.db2.gz DLFGNBQJCNUPAP-JTQLQIEISA-N 1 0 348.363 -1.580 20 0 EAADRO O=C(NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1c[nH]c(=O)cn1 ZINC001265367780 794860165 /nfs/dbraw/zinc/86/01/65/794860165.db2.gz DLFGNBQJCNUPAP-SNVBAGLBSA-N 1 0 348.363 -1.580 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001265368017 794860757 /nfs/dbraw/zinc/86/07/57/794860757.db2.gz ITULFKJPDWTJEO-GHMZBOCLSA-N 1 0 332.426 -1.413 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001265368018 794860782 /nfs/dbraw/zinc/86/07/82/794860782.db2.gz ITULFKJPDWTJEO-MNOVXSKESA-N 1 0 332.426 -1.413 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001265368019 794860933 /nfs/dbraw/zinc/86/09/33/794860933.db2.gz ITULFKJPDWTJEO-QWRGUYRKSA-N 1 0 332.426 -1.413 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001265368020 794860768 /nfs/dbraw/zinc/86/07/68/794860768.db2.gz ITULFKJPDWTJEO-WDEREUQCSA-N 1 0 332.426 -1.413 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CCNC1=O ZINC001265369657 794860899 /nfs/dbraw/zinc/86/08/99/794860899.db2.gz BJLBMRBMIOPWMV-BXUZGUMPSA-N 1 0 346.453 -1.454 20 0 EAADRO C[C@]1(C(=O)NC[C@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CCNC1=O ZINC001265369658 794861122 /nfs/dbraw/zinc/86/11/22/794861122.db2.gz BJLBMRBMIOPWMV-FZMZJTMJSA-N 1 0 346.453 -1.454 20 0 EAADRO C[C@]1(C(=O)NC[C@@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CCNC1=O ZINC001265369659 794861480 /nfs/dbraw/zinc/86/14/80/794861480.db2.gz BJLBMRBMIOPWMV-RISCZKNCSA-N 1 0 346.453 -1.454 20 0 EAADRO C[C@@]1(C(=O)NC[C@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CCNC1=O ZINC001265369660 794861017 /nfs/dbraw/zinc/86/10/17/794861017.db2.gz BJLBMRBMIOPWMV-SMDDNHRTSA-N 1 0 346.453 -1.454 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001265370343 794860669 /nfs/dbraw/zinc/86/06/69/794860669.db2.gz PDZCJTAVMXOMHQ-GRYCIOLGSA-N 1 0 336.392 -1.259 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001265370344 794861541 /nfs/dbraw/zinc/86/15/41/794861541.db2.gz PDZCJTAVMXOMHQ-WOPDTQHZSA-N 1 0 336.392 -1.259 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NC[C@@H]([NH2+]CCCO)C1CC1 ZINC001265372111 794861149 /nfs/dbraw/zinc/86/11/49/794861149.db2.gz BJVURRLRKQGIAM-GFCCVEGCSA-N 1 0 334.380 -1.242 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NC[C@H]([NH2+]CCCO)C1CC1 ZINC001265372112 794860760 /nfs/dbraw/zinc/86/07/60/794860760.db2.gz BJVURRLRKQGIAM-LBPRGKRZSA-N 1 0 334.380 -1.242 20 0 EAADRO Cn1ncc(C(=O)NC[C@H]([NH2+]CCN2C(=O)CNC2=O)C2CC2)n1 ZINC001265374292 794861115 /nfs/dbraw/zinc/86/11/15/794861115.db2.gz KASMMAYZRBDNEG-JTQLQIEISA-N 1 0 335.368 -1.535 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C2CC2)n1 ZINC001265374293 794860920 /nfs/dbraw/zinc/86/09/20/794860920.db2.gz KASMMAYZRBDNEG-SNVBAGLBSA-N 1 0 335.368 -1.535 20 0 EAADRO O=C(CCn1cnnn1)NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001265376378 794861286 /nfs/dbraw/zinc/86/12/86/794861286.db2.gz MGARDTAPGBLLLH-GHMZBOCLSA-N 1 0 335.368 -1.647 20 0 EAADRO O=C(CCn1cnnn1)NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001265376379 794861304 /nfs/dbraw/zinc/86/13/04/794861304.db2.gz MGARDTAPGBLLLH-MNOVXSKESA-N 1 0 335.368 -1.647 20 0 EAADRO O=C(CCn1cnnn1)NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001265376380 794861413 /nfs/dbraw/zinc/86/14/13/794861413.db2.gz MGARDTAPGBLLLH-QWRGUYRKSA-N 1 0 335.368 -1.647 20 0 EAADRO O=C(CCn1cnnn1)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001265376381 794861261 /nfs/dbraw/zinc/86/12/61/794861261.db2.gz MGARDTAPGBLLLH-WDEREUQCSA-N 1 0 335.368 -1.647 20 0 EAADRO O=C(NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)[C@@H]1CCC(=O)N1 ZINC001265378651 794861161 /nfs/dbraw/zinc/86/11/61/794861161.db2.gz PSQOTGGXOYJJRT-QWRGUYRKSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)[C@@H]1CCC(=O)N1 ZINC001265378652 794861403 /nfs/dbraw/zinc/86/14/03/794861403.db2.gz PSQOTGGXOYJJRT-WDEREUQCSA-N 1 0 337.380 -1.699 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001265379523 794861353 /nfs/dbraw/zinc/86/13/53/794861353.db2.gz BEJOMVNNLYDZIW-JTQLQIEISA-N 1 0 325.369 -1.841 20 0 EAADRO CCNC(=O)C[NH2+][C@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001265379524 794861575 /nfs/dbraw/zinc/86/15/75/794861575.db2.gz BEJOMVNNLYDZIW-SNVBAGLBSA-N 1 0 325.369 -1.841 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001265380527 794860864 /nfs/dbraw/zinc/86/08/64/794860864.db2.gz OOQYRILLIVMNBH-NXEZZACHSA-N 1 0 346.409 -2.175 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001265380529 794860927 /nfs/dbraw/zinc/86/09/27/794860927.db2.gz OOQYRILLIVMNBH-UWVGGRQHSA-N 1 0 346.409 -2.175 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001265380530 794861503 /nfs/dbraw/zinc/86/15/03/794861503.db2.gz OOQYRILLIVMNBH-VHSXEESVSA-N 1 0 346.409 -2.175 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001265380531 794861142 /nfs/dbraw/zinc/86/11/42/794861142.db2.gz OOQYRILLIVMNBH-ZJUUUORDSA-N 1 0 346.409 -2.175 20 0 EAADRO CNC(=O)C[NH2+][C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)C1CC1 ZINC001265380622 794861168 /nfs/dbraw/zinc/86/11/68/794861168.db2.gz PVKNCSYVEIRWSR-JTQLQIEISA-N 1 0 325.369 -1.889 20 0 EAADRO CNC(=O)C[NH2+][C@H](CNC(=O)CN1C(=O)CN(C)C1=O)C1CC1 ZINC001265380623 794861452 /nfs/dbraw/zinc/86/14/52/794861452.db2.gz PVKNCSYVEIRWSR-SNVBAGLBSA-N 1 0 325.369 -1.889 20 0 EAADRO CC[C@@H]([NH2+][C@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1)C(N)=O ZINC001265380634 794861140 /nfs/dbraw/zinc/86/11/40/794861140.db2.gz QCPHVIXFBRNJAP-NXEZZACHSA-N 1 0 325.369 -1.714 20 0 EAADRO CC[C@H]([NH2+][C@@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1)C(N)=O ZINC001265380635 794861221 /nfs/dbraw/zinc/86/12/21/794861221.db2.gz QCPHVIXFBRNJAP-UWVGGRQHSA-N 1 0 325.369 -1.714 20 0 EAADRO CC[C@H]([NH2+][C@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1)C(N)=O ZINC001265380636 794860878 /nfs/dbraw/zinc/86/08/78/794860878.db2.gz QCPHVIXFBRNJAP-VHSXEESVSA-N 1 0 325.369 -1.714 20 0 EAADRO CC[C@@H]([NH2+][C@@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1)C(N)=O ZINC001265380637 794861498 /nfs/dbraw/zinc/86/14/98/794861498.db2.gz QCPHVIXFBRNJAP-ZJUUUORDSA-N 1 0 325.369 -1.714 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001265380812 794860891 /nfs/dbraw/zinc/86/08/91/794860891.db2.gz UUALACLVKCWDGU-LLVKDONJSA-N 1 0 337.380 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001265380813 794861041 /nfs/dbraw/zinc/86/10/41/794861041.db2.gz UUALACLVKCWDGU-NSHDSACASA-N 1 0 337.380 -1.745 20 0 EAADRO Cn1cc(C[NH2+][C@H](CNC(=O)CN2C(=O)CNC2=O)C2CC2)cn1 ZINC001265380964 794860956 /nfs/dbraw/zinc/86/09/56/794860956.db2.gz XQIFRDCMUVMRHG-GFCCVEGCSA-N 1 0 334.380 -1.044 20 0 EAADRO Cn1cc(C[NH2+][C@@H](CNC(=O)CN2C(=O)CNC2=O)C2CC2)cn1 ZINC001265380965 794861365 /nfs/dbraw/zinc/86/13/65/794861365.db2.gz XQIFRDCMUVMRHG-LBPRGKRZSA-N 1 0 334.380 -1.044 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001265381829 794861051 /nfs/dbraw/zinc/86/10/51/794861051.db2.gz BUDAMRYAXRYDHN-NEPJUHHUSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001265381830 794861127 /nfs/dbraw/zinc/86/11/27/794861127.db2.gz BUDAMRYAXRYDHN-NWDGAFQWSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001265381831 794860771 /nfs/dbraw/zinc/86/07/71/794860771.db2.gz BUDAMRYAXRYDHN-RYUDHWBXSA-N 1 0 336.392 -1.244 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001265381832 794861228 /nfs/dbraw/zinc/86/12/28/794861228.db2.gz BUDAMRYAXRYDHN-VXGBXAGGSA-N 1 0 336.392 -1.244 20 0 EAADRO CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001265387453 794861093 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CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001265687861 794870038 /nfs/dbraw/zinc/87/00/38/794870038.db2.gz ILSVJEHYKMQELN-RYUDHWBXSA-N 1 0 346.453 -1.215 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001265687888 794869916 /nfs/dbraw/zinc/86/99/16/794869916.db2.gz IRZNVTKTKSNNDU-LLVKDONJSA-N 1 0 349.395 -1.130 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001265687889 794869822 /nfs/dbraw/zinc/86/98/22/794869822.db2.gz IRZNVTKTKSNNDU-NSHDSACASA-N 1 0 349.395 -1.130 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1=O ZINC001265688366 794869817 /nfs/dbraw/zinc/86/98/17/794869817.db2.gz SFJRQNQAONNPBJ-JTQLQIEISA-N 1 0 325.369 -1.664 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1=O ZINC001265688367 794869846 /nfs/dbraw/zinc/86/98/46/794869846.db2.gz SFJRQNQAONNPBJ-SNVBAGLBSA-N 1 0 325.369 -1.664 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001265689607 794870232 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C[C@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001265750651 794870888 /nfs/dbraw/zinc/87/08/88/794870888.db2.gz PQGRWDYYKSNLBM-LLVKDONJSA-N 1 0 335.364 -2.014 20 0 EAADRO C[C@@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001265750652 794871223 /nfs/dbraw/zinc/87/12/23/794871223.db2.gz PQGRWDYYKSNLBM-NSHDSACASA-N 1 0 335.364 -2.014 20 0 EAADRO CCC(=O)NCC(=O)NC[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001265758497 794870959 /nfs/dbraw/zinc/87/09/59/794870959.db2.gz DVNSYKAKQNDURF-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO CCC(=O)NCC(=O)NC[C@@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001265758498 794870971 /nfs/dbraw/zinc/87/09/71/794870971.db2.gz DVNSYKAKQNDURF-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@@H](CNC(=O)Cc1cc[nH]n1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001265761096 794871273 /nfs/dbraw/zinc/87/12/73/794871273.db2.gz MWYNTZXRYACTLL-CMPLNLGQSA-N 1 0 337.380 -1.444 20 0 EAADRO C[C@@H](CNC(=O)Cc1cc[nH]n1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001265761097 794871028 /nfs/dbraw/zinc/87/10/28/794871028.db2.gz MWYNTZXRYACTLL-JQWIXIFHSA-N 1 0 337.380 -1.444 20 0 EAADRO C[C@H](CNC(=O)Cc1cc[nH]n1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001265761098 794871467 /nfs/dbraw/zinc/87/14/67/794871467.db2.gz MWYNTZXRYACTLL-PWSUYJOCSA-N 1 0 337.380 -1.444 20 0 EAADRO C[C@H](CNC(=O)Cc1cc[nH]n1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001265761099 794870908 /nfs/dbraw/zinc/87/09/08/794870908.db2.gz MWYNTZXRYACTLL-ZYHUDNBSSA-N 1 0 337.380 -1.444 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001265766778 794870989 /nfs/dbraw/zinc/87/09/89/794870989.db2.gz OZRUMHDFXOYUSI-NXEZZACHSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001265766779 794870845 /nfs/dbraw/zinc/87/08/45/794870845.db2.gz OZRUMHDFXOYUSI-UWVGGRQHSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001265766780 794871256 /nfs/dbraw/zinc/87/12/56/794871256.db2.gz OZRUMHDFXOYUSI-VHSXEESVSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001265766781 794871592 /nfs/dbraw/zinc/87/15/92/794871592.db2.gz OZRUMHDFXOYUSI-ZJUUUORDSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@H](CNC(=O)c1cn(C)cn1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001265766912 794871326 /nfs/dbraw/zinc/87/13/26/794871326.db2.gz REBHTHUGHOQODU-GHMZBOCLSA-N 1 0 337.380 -1.362 20 0 EAADRO C[C@H](CNC(=O)c1cn(C)cn1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001265766913 794870897 /nfs/dbraw/zinc/87/08/97/794870897.db2.gz REBHTHUGHOQODU-MNOVXSKESA-N 1 0 337.380 -1.362 20 0 EAADRO C[C@@H](CNC(=O)c1cn(C)cn1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001265766914 794871001 /nfs/dbraw/zinc/87/10/01/794871001.db2.gz REBHTHUGHOQODU-QWRGUYRKSA-N 1 0 337.380 -1.362 20 0 EAADRO C[C@@H](CNC(=O)c1cn(C)cn1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001265766915 794871024 /nfs/dbraw/zinc/87/10/24/794871024.db2.gz REBHTHUGHOQODU-WDEREUQCSA-N 1 0 337.380 -1.362 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001265768585 794870793 /nfs/dbraw/zinc/87/07/93/794870793.db2.gz FDPADCCGHSWABT-NXEZZACHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001265768586 794871144 /nfs/dbraw/zinc/87/11/44/794871144.db2.gz FDPADCCGHSWABT-UWVGGRQHSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001265768587 794871352 /nfs/dbraw/zinc/87/13/52/794871352.db2.gz FDPADCCGHSWABT-VHSXEESVSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001265768588 794871283 /nfs/dbraw/zinc/87/12/83/794871283.db2.gz FDPADCCGHSWABT-ZJUUUORDSA-N 1 0 329.401 -1.159 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001265769085 794871174 /nfs/dbraw/zinc/87/11/74/794871174.db2.gz OKBTWNYSKUWXLJ-JTQLQIEISA-N 1 0 327.385 -2.435 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001265769086 794871189 /nfs/dbraw/zinc/87/11/89/794871189.db2.gz OKBTWNYSKUWXLJ-SNVBAGLBSA-N 1 0 327.385 -2.435 20 0 EAADRO C[C@H](CNC(=O)c1cn(C)nn1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001265771312 794871599 /nfs/dbraw/zinc/87/15/99/794871599.db2.gz TWGXKNKLGWJZHT-NXEZZACHSA-N 1 0 338.368 -1.967 20 0 EAADRO C[C@@H](CNC(=O)c1cn(C)nn1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001265771313 794871547 /nfs/dbraw/zinc/87/15/47/794871547.db2.gz TWGXKNKLGWJZHT-UWVGGRQHSA-N 1 0 338.368 -1.967 20 0 EAADRO C[C@@H](CNC(=O)c1cn(C)nn1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001265771314 794871267 /nfs/dbraw/zinc/87/12/67/794871267.db2.gz TWGXKNKLGWJZHT-VHSXEESVSA-N 1 0 338.368 -1.967 20 0 EAADRO C[C@H](CNC(=O)c1cn(C)nn1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001265771315 794871699 /nfs/dbraw/zinc/87/16/99/794871699.db2.gz TWGXKNKLGWJZHT-ZJUUUORDSA-N 1 0 338.368 -1.967 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)[nH]1 ZINC001265772451 794871481 /nfs/dbraw/zinc/87/14/81/794871481.db2.gz BCWZDEDKKRETIA-SECBINFHSA-N 1 0 337.384 -1.308 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H](C)[NH2+]CCCN2C(=O)CNC2=O)[nH]1 ZINC001265772452 794871064 /nfs/dbraw/zinc/87/10/64/794871064.db2.gz BCWZDEDKKRETIA-VIFPVBQESA-N 1 0 337.384 -1.308 20 0 EAADRO COc1cc(C(=O)NC[C@@H](C)[NH2+]CCNS(C)(=O)=O)ncn1 ZINC001265774811 794871620 /nfs/dbraw/zinc/87/16/20/794871620.db2.gz JNFZDCSVZLSJRW-SECBINFHSA-N 1 0 331.398 -1.258 20 0 EAADRO COc1cc(C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O)ncn1 ZINC001265774812 794871668 /nfs/dbraw/zinc/87/16/68/794871668.db2.gz JNFZDCSVZLSJRW-VIFPVBQESA-N 1 0 331.398 -1.258 20 0 EAADRO C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]CCN1C(=O)CNC1=O ZINC001265775445 794871247 /nfs/dbraw/zinc/87/12/47/794871247.db2.gz QRVSNYQEQDCKEC-JTQLQIEISA-N 1 0 349.395 -1.198 20 0 EAADRO C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]CCN1C(=O)CNC1=O ZINC001265775448 794871369 /nfs/dbraw/zinc/87/13/69/794871369.db2.gz QRVSNYQEQDCKEC-SNVBAGLBSA-N 1 0 349.395 -1.198 20 0 EAADRO C[C@H](CNC(=O)c1cccn2nnnc12)[NH2+]CCNS(C)(=O)=O ZINC001265780014 794871088 /nfs/dbraw/zinc/87/10/88/794871088.db2.gz UMWGPVASCAAENG-SECBINFHSA-N 1 0 341.397 -1.619 20 0 EAADRO C[C@@H](CNC(=O)c1cccn2nnnc12)[NH2+]CCNS(C)(=O)=O ZINC001265780015 794871072 /nfs/dbraw/zinc/87/10/72/794871072.db2.gz UMWGPVASCAAENG-VIFPVBQESA-N 1 0 341.397 -1.619 20 0 EAADRO CCN1C[C@H](C(=O)NC[C@@H](C)[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001265782108 794871683 /nfs/dbraw/zinc/87/16/83/794871683.db2.gz RQNVXAJVYFWUEV-GHMZBOCLSA-N 1 0 334.442 -1.502 20 0 EAADRO CCN1C[C@@H](C(=O)NC[C@@H](C)[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001265782109 794871608 /nfs/dbraw/zinc/87/16/08/794871608.db2.gz RQNVXAJVYFWUEV-MNOVXSKESA-N 1 0 334.442 -1.502 20 0 EAADRO CCN1C[C@@H](C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001265782110 794870923 /nfs/dbraw/zinc/87/09/23/794870923.db2.gz RQNVXAJVYFWUEV-QWRGUYRKSA-N 1 0 334.442 -1.502 20 0 EAADRO CCN1C[C@H](C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001265782111 794871392 /nfs/dbraw/zinc/87/13/92/794871392.db2.gz RQNVXAJVYFWUEV-WDEREUQCSA-N 1 0 334.442 -1.502 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001265782262 794870835 /nfs/dbraw/zinc/87/08/35/794870835.db2.gz UTLBEOFCOYDCPN-GHMZBOCLSA-N 1 0 334.442 -1.502 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001265782263 794871102 /nfs/dbraw/zinc/87/11/02/794871102.db2.gz UTLBEOFCOYDCPN-MNOVXSKESA-N 1 0 334.442 -1.502 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001265782264 794870824 /nfs/dbraw/zinc/87/08/24/794870824.db2.gz UTLBEOFCOYDCPN-QWRGUYRKSA-N 1 0 334.442 -1.502 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001265782265 794871162 /nfs/dbraw/zinc/87/11/62/794871162.db2.gz UTLBEOFCOYDCPN-WDEREUQCSA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]CCCS(C)(=O)=O ZINC001265782729 794871638 /nfs/dbraw/zinc/87/16/38/794871638.db2.gz BJGIGPRGGJSSBG-LLVKDONJSA-N 1 0 335.426 -1.626 20 0 EAADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]CCCS(C)(=O)=O ZINC001265782730 794870882 /nfs/dbraw/zinc/87/08/82/794870882.db2.gz BJGIGPRGGJSSBG-NSHDSACASA-N 1 0 335.426 -1.626 20 0 EAADRO Cc1c(CC(=O)NC[C@H](C)[NH2+]CCN2C(=O)CNC2=O)cnn1C ZINC001265783098 794870780 /nfs/dbraw/zinc/87/07/80/794870780.db2.gz HAZYJZYNCLLIBV-JTQLQIEISA-N 1 0 336.396 -1.083 20 0 EAADRO Cc1c(CC(=O)NC[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)cnn1C ZINC001265783107 794870967 /nfs/dbraw/zinc/87/09/67/794870967.db2.gz HAZYJZYNCLLIBV-SNVBAGLBSA-N 1 0 336.396 -1.083 20 0 EAADRO C[C@@H](CNC(=O)c1cnn2ccncc12)[NH2+]CCN1C(=O)CNC1=O ZINC001265783988 794870950 /nfs/dbraw/zinc/87/09/50/794870950.db2.gz SXXYUCWCJLKBRU-JTQLQIEISA-N 1 0 345.363 -1.011 20 0 EAADRO C[C@H](CNC(=O)c1cnn2ccncc12)[NH2+]CCN1C(=O)CNC1=O ZINC001265783989 794871115 /nfs/dbraw/zinc/87/11/15/794871115.db2.gz SXXYUCWCJLKBRU-SNVBAGLBSA-N 1 0 345.363 -1.011 20 0 EAADRO CC[C@]1(C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001265785774 794871020 /nfs/dbraw/zinc/87/10/20/794871020.db2.gz HHLKXNXSDRZLOC-GWCFXTLKSA-N 1 0 334.442 -1.454 20 0 EAADRO CC[C@@]1(C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001265785777 794870940 /nfs/dbraw/zinc/87/09/40/794870940.db2.gz HHLKXNXSDRZLOC-GXFFZTMASA-N 1 0 334.442 -1.454 20 0 EAADRO CC[C@]1(C(=O)NC[C@@H](C)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001265785778 794870916 /nfs/dbraw/zinc/87/09/16/794870916.db2.gz HHLKXNXSDRZLOC-MFKMUULPSA-N 1 0 334.442 -1.454 20 0 EAADRO CC[C@@]1(C(=O)NC[C@@H](C)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001265785779 794871012 /nfs/dbraw/zinc/87/10/12/794871012.db2.gz HHLKXNXSDRZLOC-ZWNOBZJWSA-N 1 0 334.442 -1.454 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265785866 794870993 /nfs/dbraw/zinc/87/09/93/794870993.db2.gz IVKCISVJZUZNGH-UWVGGRQHSA-N 1 0 327.385 -1.454 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265785927 794871336 /nfs/dbraw/zinc/87/13/36/794871336.db2.gz IVKCISVJZUZNGH-ZJUUUORDSA-N 1 0 327.385 -1.454 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@H](C)[NH2+]CCN2C(=O)CNC2=O)cn1C ZINC001265787898 794871094 /nfs/dbraw/zinc/87/10/94/794871094.db2.gz AWIXWWJJNSVGPW-JTQLQIEISA-N 1 0 349.391 -1.047 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)cn1C ZINC001265787899 794871536 /nfs/dbraw/zinc/87/15/36/794871536.db2.gz AWIXWWJJNSVGPW-SNVBAGLBSA-N 1 0 349.391 -1.047 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]CCN(C)S(C)(=O)=O ZINC001265789092 794871408 /nfs/dbraw/zinc/87/14/08/794871408.db2.gz ZNJYBCWENROOHK-GHMZBOCLSA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]CCN(C)S(C)(=O)=O ZINC001265789093 794870852 /nfs/dbraw/zinc/87/08/52/794870852.db2.gz ZNJYBCWENROOHK-MNOVXSKESA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]CCN(C)S(C)(=O)=O ZINC001265789094 794871422 /nfs/dbraw/zinc/87/14/22/794871422.db2.gz ZNJYBCWENROOHK-QWRGUYRKSA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]CCN(C)S(C)(=O)=O ZINC001265789095 794870864 /nfs/dbraw/zinc/87/08/64/794870864.db2.gz ZNJYBCWENROOHK-WDEREUQCSA-N 1 0 334.442 -1.502 20 0 EAADRO CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001265792118 794871136 /nfs/dbraw/zinc/87/11/36/794871136.db2.gz HVYRNOXMIJWAMD-GHMZBOCLSA-N 1 0 347.437 -1.043 20 0 EAADRO CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001265792119 794871432 /nfs/dbraw/zinc/87/14/32/794871432.db2.gz HVYRNOXMIJWAMD-MNOVXSKESA-N 1 0 347.437 -1.043 20 0 EAADRO CC(C)CS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001265792120 794871051 /nfs/dbraw/zinc/87/10/51/794871051.db2.gz HVYRNOXMIJWAMD-QWRGUYRKSA-N 1 0 347.437 -1.043 20 0 EAADRO CC(C)CS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001265792121 794871377 /nfs/dbraw/zinc/87/13/77/794871377.db2.gz HVYRNOXMIJWAMD-WDEREUQCSA-N 1 0 347.437 -1.043 20 0 EAADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001265792126 794870740 /nfs/dbraw/zinc/87/07/40/794870740.db2.gz HZFAQQQDMXALRK-GHMZBOCLSA-N 1 0 339.396 -2.340 20 0 EAADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001265792127 794872615 /nfs/dbraw/zinc/87/26/15/794872615.db2.gz 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ZINC001265882360 794878523 /nfs/dbraw/zinc/87/85/23/794878523.db2.gz VSSJLWHZXRCQBM-AAEUAGOBSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccnnc2)C1)C(N)=O ZINC001265882361 794878987 /nfs/dbraw/zinc/87/89/87/794878987.db2.gz VSSJLWHZXRCQBM-DGCLKSJQSA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccnnc2)C1)C(N)=O ZINC001265882362 794878308 /nfs/dbraw/zinc/87/83/08/794878308.db2.gz VSSJLWHZXRCQBM-WCQYABFASA-N 1 0 348.407 -1.092 20 0 EAADRO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccnnc2)C1)C(N)=O ZINC001265882363 794879241 /nfs/dbraw/zinc/87/92/41/794879241.db2.gz VSSJLWHZXRCQBM-YPMHNXCESA-N 1 0 348.407 -1.092 20 0 EAADRO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 ZINC001265882538 794878646 /nfs/dbraw/zinc/87/86/46/794878646.db2.gz WDVNYPORKNAYGV-GFCCVEGCSA-N 1 0 336.396 -1.650 20 0 EAADRO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 ZINC001265882539 794878761 /nfs/dbraw/zinc/87/87/61/794878761.db2.gz 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ZINC001265883510 794878974 /nfs/dbraw/zinc/87/89/74/794878974.db2.gz LIQRWBFJUPXUFA-GFCCVEGCSA-N 1 0 348.407 -1.172 20 0 EAADRO Cc1nccc(C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C2)n1 ZINC001265883511 794878461 /nfs/dbraw/zinc/87/84/61/794878461.db2.gz LIQRWBFJUPXUFA-LBPRGKRZSA-N 1 0 348.407 -1.172 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001265883557 794878236 /nfs/dbraw/zinc/87/82/36/794878236.db2.gz NJYORQUHWACOBL-LBPRGKRZSA-N 1 0 334.442 -1.406 20 0 EAADRO CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001265883636 794878272 /nfs/dbraw/zinc/87/82/72/794878272.db2.gz QGTUWRTUXSBNPY-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001265883637 794879096 /nfs/dbraw/zinc/87/90/96/794879096.db2.gz QGTUWRTUXSBNPY-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]C[C@@H](O)CN3C(=O)CCC3=O)C2)cn1 ZINC001265885620 794879058 /nfs/dbraw/zinc/87/90/58/794879058.db2.gz QPPKZFDKMMXNGY-QWHCGFSZSA-N 1 0 349.391 -1.266 20 0 EAADRO Cn1cc(C(=O)N2CC[C@H]([NH2+]C[C@H](O)CN3C(=O)CCC3=O)C2)cn1 ZINC001265885621 794878329 /nfs/dbraw/zinc/87/83/29/794878329.db2.gz QPPKZFDKMMXNGY-STQMWFEESA-N 1 0 349.391 -1.266 20 0 EAADRO CC(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001265886383 794878592 /nfs/dbraw/zinc/87/85/92/794878592.db2.gz PVJIGHFIRGFCQZ-GFCCVEGCSA-N 1 0 341.412 -1.122 20 0 EAADRO CC(=O)N1CCC[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001265886385 794878346 /nfs/dbraw/zinc/87/83/46/794878346.db2.gz PVJIGHFIRGFCQZ-LBPRGKRZSA-N 1 0 341.412 -1.122 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001265887521 794878791 /nfs/dbraw/zinc/87/87/91/794878791.db2.gz BGBUIHSWTQSQFU-QWHCGFSZSA-N 1 0 349.453 -1.078 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001265887522 794879294 /nfs/dbraw/zinc/87/92/94/794879294.db2.gz BGBUIHSWTQSQFU-STQMWFEESA-N 1 0 349.453 -1.078 20 0 EAADRO O=C(c1cc[nH]n1)N1CC[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001265887732 794878776 /nfs/dbraw/zinc/87/87/76/794878776.db2.gz FYCYBBHJMQNHGG-QWRGUYRKSA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(c1cc[nH]n1)N1CC[C@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001265887735 794878043 /nfs/dbraw/zinc/87/80/43/794878043.db2.gz FYCYBBHJMQNHGG-WDEREUQCSA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(c1cn[nH]c1)N1CC[C@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001265888031 794879090 /nfs/dbraw/zinc/87/90/90/794879090.db2.gz LXHUZZUWYHLBTH-NWDGAFQWSA-N 1 0 335.364 -1.276 20 0 EAADRO O=C(c1cn[nH]c1)N1CC[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001265888033 794878684 /nfs/dbraw/zinc/87/86/84/794878684.db2.gz LXHUZZUWYHLBTH-RYUDHWBXSA-N 1 0 335.364 -1.276 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001265888044 794878733 /nfs/dbraw/zinc/87/87/33/794878733.db2.gz MDGWICPWCMVVSF-LBPRGKRZSA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)c1cc(OC)n(C)n1 ZINC001265888405 794878898 /nfs/dbraw/zinc/87/88/98/794878898.db2.gz 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ZINC001265895679 794878418 /nfs/dbraw/zinc/87/84/18/794878418.db2.gz MIRGBUGCKWMUPQ-SECBINFHSA-N 1 0 349.413 -2.717 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001265895680 794879013 /nfs/dbraw/zinc/87/90/13/794879013.db2.gz MIRGBUGCKWMUPQ-VIFPVBQESA-N 1 0 349.413 -2.717 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001265895991 794877996 /nfs/dbraw/zinc/87/79/96/794877996.db2.gz XEANSRCXYKAHEL-WDEREUQCSA-N 1 0 332.426 -1.605 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)COCCOC)C1 ZINC001265896040 794878057 /nfs/dbraw/zinc/87/80/57/794878057.db2.gz ZDZZLWPYWHBSFH-NSHDSACASA-N 1 0 330.385 -1.314 20 0 EAADRO C[N@H+](CCCNC(=O)[C@H]1CCNC(=O)CC1)CCNS(C)(=O)=O ZINC001265896353 794878866 /nfs/dbraw/zinc/87/88/66/794878866.db2.gz VTEBWDBFEKZJEZ-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO C[N@H+](CCCNC(=O)[C@@H]1CCNC(=O)CC1)CCNS(C)(=O)=O ZINC001265896357 794878552 /nfs/dbraw/zinc/87/85/52/794878552.db2.gz VTEBWDBFEKZJEZ-LBPRGKRZSA-N 1 0 348.469 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331.438 -1.053 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1=O ZINC001266008297 794885615 /nfs/dbraw/zinc/88/56/15/794885615.db2.gz BVDGFJBKAVPVNR-NWDGAFQWSA-N 1 0 331.438 -1.053 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1=O ZINC001266008298 794885419 /nfs/dbraw/zinc/88/54/19/794885419.db2.gz BVDGFJBKAVPVNR-RYUDHWBXSA-N 1 0 331.438 -1.053 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1=O ZINC001266008299 794885482 /nfs/dbraw/zinc/88/54/82/794885482.db2.gz BVDGFJBKAVPVNR-VXGBXAGGSA-N 1 0 331.438 -1.053 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001266008300 794885462 /nfs/dbraw/zinc/88/54/62/794885462.db2.gz BVDMNIROHFVHTF-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001266008301 794884913 /nfs/dbraw/zinc/88/49/13/794884913.db2.gz BVDMNIROHFVHTF-VXGBXAGGSA-N 1 0 346.453 -1.406 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001266008384 794885165 /nfs/dbraw/zinc/88/51/65/794885165.db2.gz DGOOVHXHJAENEV-GHMZBOCLSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001266008385 794884961 /nfs/dbraw/zinc/88/49/61/794884961.db2.gz DGOOVHXHJAENEV-MNOVXSKESA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001266008386 794885609 /nfs/dbraw/zinc/88/56/09/794885609.db2.gz DGOOVHXHJAENEV-QWRGUYRKSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001266008387 794885160 /nfs/dbraw/zinc/88/51/60/794885160.db2.gz DGOOVHXHJAENEV-WDEREUQCSA-N 1 0 339.396 -1.642 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001266011053 794885220 /nfs/dbraw/zinc/88/52/20/794885220.db2.gz QMOMDEQSHCVCLM-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001266011054 794884889 /nfs/dbraw/zinc/88/48/89/794884889.db2.gz QMOMDEQSHCVCLM-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001266011055 794884852 /nfs/dbraw/zinc/88/48/52/794884852.db2.gz QMOMDEQSHCVCLM-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001266011056 794885385 /nfs/dbraw/zinc/88/53/85/794885385.db2.gz QMOMDEQSHCVCLM-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001266013119 794885288 /nfs/dbraw/zinc/88/52/88/794885288.db2.gz QZBABOFPAAOTMY-NEPJUHHUSA-N 1 0 340.428 -1.187 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001266013120 794884795 /nfs/dbraw/zinc/88/47/95/794884795.db2.gz QZBABOFPAAOTMY-NWDGAFQWSA-N 1 0 340.428 -1.187 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001266013121 794885079 /nfs/dbraw/zinc/88/50/79/794885079.db2.gz QZBABOFPAAOTMY-RYUDHWBXSA-N 1 0 340.428 -1.187 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001266013122 794884865 /nfs/dbraw/zinc/88/48/65/794884865.db2.gz QZBABOFPAAOTMY-VXGBXAGGSA-N 1 0 340.428 -1.187 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001266015376 794885331 /nfs/dbraw/zinc/88/53/31/794885331.db2.gz CXYNOAWGDGAPBJ-GRYCIOLGSA-N 1 0 347.437 -1.498 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001266015377 794884806 /nfs/dbraw/zinc/88/48/06/794884806.db2.gz CXYNOAWGDGAPBJ-SDDRHHMPSA-N 1 0 347.437 -1.498 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CCn3cncn3)C2)O1 ZINC001266015768 794885205 /nfs/dbraw/zinc/88/52/05/794885205.db2.gz KYBYITULUPMUQU-FRRDWIJNSA-N 1 0 336.396 -1.251 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCn3cncn3)C2)O1 ZINC001266015769 794885101 /nfs/dbraw/zinc/88/51/01/794885101.db2.gz KYBYITULUPMUQU-RWMBFGLXSA-N 1 0 336.396 -1.251 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266015898 794884905 /nfs/dbraw/zinc/88/49/05/794884905.db2.gz NQSKORLAXLFGOA-NEPJUHHUSA-N 1 0 342.396 -1.362 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266015899 794885663 /nfs/dbraw/zinc/88/56/63/794885663.db2.gz NQSKORLAXLFGOA-NWDGAFQWSA-N 1 0 342.396 -1.362 20 0 EAADRO COC[C@H](OC)C(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266015900 794885570 /nfs/dbraw/zinc/88/55/70/794885570.db2.gz NQSKORLAXLFGOA-RYUDHWBXSA-N 1 0 342.396 -1.362 20 0 EAADRO COC[C@@H](OC)C(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266015901 794885245 /nfs/dbraw/zinc/88/52/45/794885245.db2.gz NQSKORLAXLFGOA-VXGBXAGGSA-N 1 0 342.396 -1.362 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001266018228 794885233 /nfs/dbraw/zinc/88/52/33/794885233.db2.gz MYIQQFORSWTQLM-AAEUAGOBSA-N 1 0 348.407 -1.001 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001266018229 794886747 /nfs/dbraw/zinc/88/67/47/794886747.db2.gz MYIQQFORSWTQLM-YPMHNXCESA-N 1 0 348.407 -1.001 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001266020027 794886181 /nfs/dbraw/zinc/88/61/81/794886181.db2.gz ASYMENNQRYMCSX-LLVKDONJSA-N 1 0 346.453 -1.500 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001266020028 794886173 /nfs/dbraw/zinc/88/61/73/794886173.db2.gz ASYMENNQRYMCSX-NSHDSACASA-N 1 0 346.453 -1.500 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001266020281 794886451 /nfs/dbraw/zinc/88/64/51/794886451.db2.gz GKMAEZZZUAXHKJ-SECBINFHSA-N 1 0 339.352 -2.409 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001266020282 794886202 /nfs/dbraw/zinc/88/62/02/794886202.db2.gz GKMAEZZZUAXHKJ-VIFPVBQESA-N 1 0 339.352 -2.409 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001266020633 794886861 /nfs/dbraw/zinc/88/68/61/794886861.db2.gz MHEVLNJWTMDENX-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001266020634 794886447 /nfs/dbraw/zinc/88/64/47/794886447.db2.gz MHEVLNJWTMDENX-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001266020635 794886387 /nfs/dbraw/zinc/88/63/87/794886387.db2.gz MHEVLNJWTMDENX-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001266020636 794886011 /nfs/dbraw/zinc/88/60/11/794886011.db2.gz MHEVLNJWTMDENX-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001266020679 794885885 /nfs/dbraw/zinc/88/58/85/794885885.db2.gz NRHUOCITBXWCKE-JTQLQIEISA-N 1 0 339.396 -1.594 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001266020680 794886883 /nfs/dbraw/zinc/88/68/83/794886883.db2.gz NRHUOCITBXWCKE-SNVBAGLBSA-N 1 0 339.396 -1.594 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001266020993 794886330 /nfs/dbraw/zinc/88/63/30/794886330.db2.gz RPHXRKMEQZWYMO-JQWIXIFHSA-N 1 0 327.381 -1.515 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001266020994 794886377 /nfs/dbraw/zinc/88/63/77/794886377.db2.gz RPHXRKMEQZWYMO-PWSUYJOCSA-N 1 0 327.381 -1.515 20 0 EAADRO O=C(C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001266021249 794886485 /nfs/dbraw/zinc/88/64/85/794886485.db2.gz UVKJUGHZUVGZHS-LLVKDONJSA-N 1 0 336.392 -1.290 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001266021253 794886209 /nfs/dbraw/zinc/88/62/09/794886209.db2.gz UVKJUGHZUVGZHS-NSHDSACASA-N 1 0 336.392 -1.290 20 0 EAADRO CC[N@H+](CCCNC(=O)CNC(=O)OC)Cc1nc(=O)n(C)[nH]1 ZINC001266022696 794886582 /nfs/dbraw/zinc/88/65/82/794886582.db2.gz VMZKYWNVGXFIKN-UHFFFAOYSA-N 1 0 328.373 -1.207 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1)S(C)(=O)=O ZINC001266023508 794886238 /nfs/dbraw/zinc/88/62/38/794886238.db2.gz NUXDILMBSSXSJR-JTQLQIEISA-N 1 0 330.414 -1.252 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCN(C(=O)c2nc[nH]n2)C1)S(C)(=O)=O ZINC001266023509 794886366 /nfs/dbraw/zinc/88/63/66/794886366.db2.gz NUXDILMBSSXSJR-SNVBAGLBSA-N 1 0 330.414 -1.252 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001266024324 794885852 /nfs/dbraw/zinc/88/58/52/794885852.db2.gz WWPKRIFVQYTKJW-GFCCVEGCSA-N 1 0 349.395 -1.350 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001266024325 794886697 /nfs/dbraw/zinc/88/66/97/794886697.db2.gz WWPKRIFVQYTKJW-LBPRGKRZSA-N 1 0 349.395 -1.350 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001266024532 794886760 /nfs/dbraw/zinc/88/67/60/794886760.db2.gz YVHUUELSPPWMEA-LLVKDONJSA-N 1 0 330.414 -1.454 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001266024534 794886018 /nfs/dbraw/zinc/88/60/18/794886018.db2.gz YVHUUELSPPWMEA-NSHDSACASA-N 1 0 330.414 -1.454 20 0 EAADRO CC[N@H+](CCCNC(=O)[C@H]1CCC(=O)N1)[C@H](C)C(=O)NC(=O)NC ZINC001266028379 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C[C@H](CCNC(=O)CN1CCOCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266137592 794889290 /nfs/dbraw/zinc/88/92/90/794889290.db2.gz OVCDDXNBRQAVOV-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@@H](CCNC(=O)c1cnnn1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266140524 794889267 /nfs/dbraw/zinc/88/92/67/794889267.db2.gz MYVKBTXSXRCGMC-JTQLQIEISA-N 1 0 337.384 -1.145 20 0 EAADRO C[C@H](CCNC(=O)c1cnnn1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266140525 794889232 /nfs/dbraw/zinc/88/92/32/794889232.db2.gz MYVKBTXSXRCGMC-SNVBAGLBSA-N 1 0 337.384 -1.145 20 0 EAADRO C[C@H](CCNC(=O)[C@H]1COC(=O)N1)[NH2+]CCN1C(=O)CCC1=O ZINC001266141026 794890376 /nfs/dbraw/zinc/89/03/76/794890376.db2.gz WPCJGKVOGGQCGG-NXEZZACHSA-N 1 0 326.353 -1.272 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)[NH2+]CCN1C(=O)CCC1=O ZINC001266141027 794889731 /nfs/dbraw/zinc/88/97/31/794889731.db2.gz WPCJGKVOGGQCGG-UWVGGRQHSA-N 1 0 326.353 -1.272 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)[NH2+]CCN1C(=O)CCC1=O ZINC001266141028 794889489 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EAADRO C[C@@H](CCNC(=O)[C@@H]1CCCNC1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001266151960 794889712 /nfs/dbraw/zinc/88/97/12/794889712.db2.gz JENFWHJNDRRXIU-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CCCNC1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001266151961 794889228 /nfs/dbraw/zinc/88/92/28/794889228.db2.gz JENFWHJNDRRXIU-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H](C(N)=O)[N@H+](CCCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001266152396 794890087 /nfs/dbraw/zinc/89/00/87/794890087.db2.gz SWMAPKXSGOIQQK-LLVKDONJSA-N 1 0 325.413 -1.737 20 0 EAADRO C[C@@H](C(N)=O)[N@H+](CCCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001266152410 794890188 /nfs/dbraw/zinc/89/01/88/794890188.db2.gz SWMAPKXSGOIQQK-NSHDSACASA-N 1 0 325.413 -1.737 20 0 EAADRO Cn1nnc(C(=O)NCCC[N@H+](C2CC2)[C@H]2CCC(=O)NC2=O)n1 ZINC001266153866 794890381 /nfs/dbraw/zinc/89/03/81/794890381.db2.gz VSQHOEJWFMPWQV-JTQLQIEISA-N 1 0 335.368 -1.400 20 0 EAADRO Cn1nnc(C(=O)NCCC[N@H+](C2CC2)[C@@H]2CCC(=O)NC2=O)n1 ZINC001266153871 794889571 /nfs/dbraw/zinc/88/95/71/794889571.db2.gz VSQHOEJWFMPWQV-SNVBAGLBSA-N 1 0 335.368 -1.400 20 0 EAADRO C[C@H](CCNC(=O)[C@]1(C)CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001266155944 794890517 /nfs/dbraw/zinc/89/05/17/794890517.db2.gz SLJQOMZSQTURKN-BXUZGUMPSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@@H](CCNC(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001266155945 794890180 /nfs/dbraw/zinc/89/01/80/794890180.db2.gz SLJQOMZSQTURKN-FZMZJTMJSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@H](CCNC(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001266155946 794889321 /nfs/dbraw/zinc/88/93/21/794889321.db2.gz SLJQOMZSQTURKN-RISCZKNCSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@@H](CCNC(=O)[C@]1(C)CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001266155947 794889539 /nfs/dbraw/zinc/88/95/39/794889539.db2.gz SLJQOMZSQTURKN-SMDDNHRTSA-N 1 0 348.469 -1.064 20 0 EAADRO C[C@H](CCNC(=O)CCS(C)(=O)=O)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266156144 794889481 /nfs/dbraw/zinc/88/94/81/794889481.db2.gz VZPJADNFMOTNFM-NXEZZACHSA-N 1 0 333.410 -1.289 20 0 EAADRO C[C@@H](CCNC(=O)CCS(C)(=O)=O)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266156145 794889350 /nfs/dbraw/zinc/88/93/50/794889350.db2.gz VZPJADNFMOTNFM-UWVGGRQHSA-N 1 0 333.410 -1.289 20 0 EAADRO C[C@@H](CCNC(=O)CCS(C)(=O)=O)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266156146 794889996 /nfs/dbraw/zinc/88/99/96/794889996.db2.gz VZPJADNFMOTNFM-VHSXEESVSA-N 1 0 333.410 -1.289 20 0 EAADRO C[C@H](CCNC(=O)CCS(C)(=O)=O)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266156147 794889988 /nfs/dbraw/zinc/88/99/88/794889988.db2.gz VZPJADNFMOTNFM-ZJUUUORDSA-N 1 0 333.410 -1.289 20 0 EAADRO CNC(=O)NC(=O)C[N@H+](CCCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001266156419 794889272 /nfs/dbraw/zinc/88/92/72/794889272.db2.gz AXRAZERVQIGEFK-UHFFFAOYSA-N 1 0 339.396 -1.322 20 0 EAADRO O=C(NCCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266161741 794889237 /nfs/dbraw/zinc/88/92/37/794889237.db2.gz DVEHJVXZRAXKOD-QWRGUYRKSA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(NCCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266161742 794889741 /nfs/dbraw/zinc/88/97/41/794889741.db2.gz DVEHJVXZRAXKOD-WDEREUQCSA-N 1 0 337.380 -1.556 20 0 EAADRO CNC(=O)C[N@H+](CCCNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001266171884 794889514 /nfs/dbraw/zinc/88/95/14/794889514.db2.gz OTTYKDYRIBYQDF-UHFFFAOYSA-N 1 0 325.369 -1.745 20 0 EAADRO C[C@@H](CCNC(=O)C(N)=O)[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001266172461 794890392 /nfs/dbraw/zinc/89/03/92/794890392.db2.gz HIVXACRTSGALOW-JTQLQIEISA-N 1 0 339.400 -1.431 20 0 EAADRO C[C@H](CCNC(=O)C(N)=O)[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001266172462 794889900 /nfs/dbraw/zinc/88/99/00/794889900.db2.gz HIVXACRTSGALOW-SNVBAGLBSA-N 1 0 339.400 -1.431 20 0 EAADRO C[C@H](CCNC(=O)C(N)=O)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001266173309 794889355 /nfs/dbraw/zinc/88/93/55/794889355.db2.gz YNPSXVZOOUQTJK-SECBINFHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H](CCNC(=O)C(N)=O)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001266173310 794889171 /nfs/dbraw/zinc/88/91/71/794889171.db2.gz YNPSXVZOOUQTJK-VIFPVBQESA-N 1 0 327.385 -1.323 20 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794892295 /nfs/dbraw/zinc/89/22/95/794892295.db2.gz DIHMQWHZJBUVGG-MNOVXSKESA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@@H](CCNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@H]1CCNC1=O ZINC001266178354 794891320 /nfs/dbraw/zinc/89/13/20/794891320.db2.gz DIHMQWHZJBUVGG-QWRGUYRKSA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@@H](CCNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H]1CCNC1=O ZINC001266178355 794891726 /nfs/dbraw/zinc/89/17/26/794891726.db2.gz DIHMQWHZJBUVGG-WDEREUQCSA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@H](CCNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]Cc1cnnn1C ZINC001266178778 794891088 /nfs/dbraw/zinc/89/10/88/794891088.db2.gz MLTQIQVPSQELFM-LLVKDONJSA-N 1 0 349.395 -1.260 20 0 EAADRO C[C@@H](CCNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]Cc1cnnn1C ZINC001266178779 794892156 /nfs/dbraw/zinc/89/21/56/794892156.db2.gz MLTQIQVPSQELFM-NSHDSACASA-N 1 0 349.395 -1.260 20 0 EAADRO C[C@@H](CCNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCCS(C)(=O)=O ZINC001266178998 794891708 /nfs/dbraw/zinc/89/17/08/794891708.db2.gz QSSYJYLXTXRFLB-JTQLQIEISA-N 1 0 347.437 -1.042 20 0 EAADRO C[C@H](CCNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCCS(C)(=O)=O ZINC001266178999 794891717 /nfs/dbraw/zinc/89/17/17/794891717.db2.gz QSSYJYLXTXRFLB-SNVBAGLBSA-N 1 0 347.437 -1.042 20 0 EAADRO C[C@H](CCNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCS(C)(=O)=O ZINC001266179106 794892070 /nfs/dbraw/zinc/89/20/70/794892070.db2.gz TVHNIYFKNHKBOA-SECBINFHSA-N 1 0 333.410 -1.432 20 0 EAADRO C[C@@H](CCNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCS(C)(=O)=O ZINC001266179107 794891177 /nfs/dbraw/zinc/89/11/77/794891177.db2.gz TVHNIYFKNHKBOA-VIFPVBQESA-N 1 0 333.410 -1.432 20 0 EAADRO C[C@H](CCNC(=O)CN1CC(=O)N(C)C1=O)[NH2+][C@@H]1CCN(C)C1=O ZINC001266183160 794892289 /nfs/dbraw/zinc/89/22/89/794892289.db2.gz WSPUZYGMBZOYLT-GHMZBOCLSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H](CCNC(=O)CN1CC(=O)N(C)C1=O)[NH2+][C@H]1CCN(C)C1=O ZINC001266183161 794890782 /nfs/dbraw/zinc/89/07/82/794890782.db2.gz WSPUZYGMBZOYLT-MNOVXSKESA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](CCNC(=O)CN1CC(=O)N(C)C1=O)[NH2+][C@H]1CCN(C)C1=O ZINC001266183162 794892142 /nfs/dbraw/zinc/89/21/42/794892142.db2.gz WSPUZYGMBZOYLT-QWRGUYRKSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](CCNC(=O)CN1CC(=O)N(C)C1=O)[NH2+][C@@H]1CCN(C)C1=O ZINC001266183163 794892148 /nfs/dbraw/zinc/89/21/48/794892148.db2.gz WSPUZYGMBZOYLT-WDEREUQCSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H](CCNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@@H]1CCNC1=O ZINC001266185910 794891899 /nfs/dbraw/zinc/89/18/99/794891899.db2.gz AFUHSAQSRXLMAM-NXEZZACHSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@H]1CCNC1=O ZINC001266185912 794891666 /nfs/dbraw/zinc/89/16/66/794891666.db2.gz AFUHSAQSRXLMAM-UWVGGRQHSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@@H]1CCNC1=O ZINC001266185913 794890752 /nfs/dbraw/zinc/89/07/52/794890752.db2.gz AFUHSAQSRXLMAM-VHSXEESVSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@H](CCNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@H]1CCNC1=O ZINC001266185914 794891231 /nfs/dbraw/zinc/89/12/31/794891231.db2.gz AFUHSAQSRXLMAM-ZJUUUORDSA-N 1 0 325.369 -1.747 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266186354 794891344 /nfs/dbraw/zinc/89/13/44/794891344.db2.gz HKSOBGYAXSHYAM-LLVKDONJSA-N 1 0 341.412 -1.111 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266186357 794892045 /nfs/dbraw/zinc/89/20/45/794892045.db2.gz HKSOBGYAXSHYAM-NSHDSACASA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](CCNC(=O)CN1C(=O)CNC1=O)[NH2+][C@@H](C)c1nnnn1C ZINC001266186451 794891650 /nfs/dbraw/zinc/89/16/50/794891650.db2.gz IRDXFXFWKLTXJS-BDAKNGLRSA-N 1 0 338.372 -1.693 20 0 EAADRO C[C@@H]([NH2+][C@@H](C)CCNC(=O)CN1C(=O)CNC1=O)c1nnnn1C ZINC001266186452 794891673 /nfs/dbraw/zinc/89/16/73/794891673.db2.gz IRDXFXFWKLTXJS-DTWKUNHWSA-N 1 0 338.372 -1.693 20 0 EAADRO C[C@@H](CCNC(=O)CN1C(=O)CNC1=O)[NH2+][C@@H](C)c1nnnn1C ZINC001266186453 794891511 /nfs/dbraw/zinc/89/15/11/794891511.db2.gz IRDXFXFWKLTXJS-IUCAKERBSA-N 1 0 338.372 -1.693 20 0 EAADRO C[C@H](CCNC(=O)CN1C(=O)CNC1=O)[NH2+][C@H](C)c1nnnn1C ZINC001266186454 794891632 /nfs/dbraw/zinc/89/16/32/794891632.db2.gz IRDXFXFWKLTXJS-RKDXNWHRSA-N 1 0 338.372 -1.693 20 0 EAADRO COC[C@H](O)C[NH+]1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001266192953 794891370 /nfs/dbraw/zinc/89/13/70/794891370.db2.gz ADLLBPGABYTHFH-CYBMUJFWSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001266192954 794891207 /nfs/dbraw/zinc/89/12/07/794891207.db2.gz ADLLBPGABYTHFH-ZDUSSCGKSA-N 1 0 341.408 -1.031 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)C1CC[NH+](CCOCCO)CC1 ZINC001266197091 794890996 /nfs/dbraw/zinc/89/09/96/794890996.db2.gz CURZBUDOJOVQSM-UHFFFAOYSA-N 1 0 337.442 -1.533 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001266200084 794891831 /nfs/dbraw/zinc/89/18/31/794891831.db2.gz DHWKGLOHPBHNLT-CYBMUJFWSA-N 1 0 339.400 -1.594 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001266200085 794892279 /nfs/dbraw/zinc/89/22/79/794892279.db2.gz DHWKGLOHPBHNLT-ZDUSSCGKSA-N 1 0 339.400 -1.594 20 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EAADRO COC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(=O)NC(=O)C1 ZINC001266496474 785111581 /nfs/dbraw/zinc/11/15/81/785111581.db2.gz OKTZLWJAQHIERE-FRRDWIJNSA-N 1 0 339.392 -1.278 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CCC[N@H+]1CCOCCO ZINC001266497542 785110643 /nfs/dbraw/zinc/11/06/43/785110643.db2.gz HUZAFVBOQFQSQI-NEPJUHHUSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CCC[N@H+]1CCOCCO ZINC001266497543 785111082 /nfs/dbraw/zinc/11/10/82/785111082.db2.gz HUZAFVBOQFQSQI-NWDGAFQWSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CCC[N@H+]1CCOCCO ZINC001266497544 785111529 /nfs/dbraw/zinc/11/15/29/785111529.db2.gz HUZAFVBOQFQSQI-RYUDHWBXSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CCC[N@H+]1CCOCCO ZINC001266497545 785110519 /nfs/dbraw/zinc/11/05/19/785110519.db2.gz HUZAFVBOQFQSQI-VXGBXAGGSA-N 1 0 327.381 -1.371 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001266499507 785111376 /nfs/dbraw/zinc/11/13/76/785111376.db2.gz BNINODRZKIVYSK-GFCCVEGCSA-N 1 0 339.396 -1.545 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001266499508 785111421 /nfs/dbraw/zinc/11/14/21/785111421.db2.gz BNINODRZKIVYSK-LBPRGKRZSA-N 1 0 339.396 -1.545 20 0 EAADRO COC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CCC1=O ZINC001266501921 785111261 /nfs/dbraw/zinc/11/12/61/785111261.db2.gz ONUCBQWTGQIXMQ-FRRDWIJNSA-N 1 0 339.392 -1.182 20 0 EAADRO COC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CCC1=O ZINC001266501922 785111355 /nfs/dbraw/zinc/11/13/55/785111355.db2.gz ONUCBQWTGQIXMQ-XQQFMLRXSA-N 1 0 339.392 -1.182 20 0 EAADRO COCC(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC001266504677 785112206 /nfs/dbraw/zinc/11/22/06/785112206.db2.gz NRFTUUDPUXOBGC-NSHDSACASA-N 1 0 345.425 -1.465 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001266504718 785112663 /nfs/dbraw/zinc/11/26/63/785112663.db2.gz PLAUNJNIRDCYEJ-NSHDSACASA-N 1 0 339.396 -1.357 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001266504804 785112251 /nfs/dbraw/zinc/11/22/51/785112251.db2.gz SYUOFYNMMUFCJQ-LBPRGKRZSA-N 1 0 334.442 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001266506966 785112649 /nfs/dbraw/zinc/11/26/49/785112649.db2.gz CGMCBSNKFNQVDM-LBPRGKRZSA-N 1 0 328.394 -1.327 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001266506988 785112777 /nfs/dbraw/zinc/11/27/77/785112777.db2.gz DEBZFKKHASXYLL-NSHDSACASA-N 1 0 325.373 -1.984 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001266507094 785112691 /nfs/dbraw/zinc/11/26/91/785112691.db2.gz INKYDERVWJAPHD-JQWIXIFHSA-N 1 0 335.364 -1.032 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001266507095 785112726 /nfs/dbraw/zinc/11/27/26/785112726.db2.gz INKYDERVWJAPHD-PWSUYJOCSA-N 1 0 335.364 -1.032 20 0 EAADRO O=C(c1ccon1)N1CC[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001266509205 785112813 /nfs/dbraw/zinc/11/28/13/785112813.db2.gz QUIJJBKJWBIARO-QWRGUYRKSA-N 1 0 336.348 -1.011 20 0 EAADRO O=C(c1ccon1)N1CC[C@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001266509206 785113024 /nfs/dbraw/zinc/11/30/24/785113024.db2.gz QUIJJBKJWBIARO-WDEREUQCSA-N 1 0 336.348 -1.011 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266509210 785113055 /nfs/dbraw/zinc/11/30/55/785113055.db2.gz RAHGGWZOVZOQMU-NSHDSACASA-N 1 0 325.369 -1.793 20 0 EAADRO COCCCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001266510422 785114004 /nfs/dbraw/zinc/11/40/04/785114004.db2.gz ILSUKGGKNOFLNL-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001266510711 785114201 /nfs/dbraw/zinc/11/42/01/785114201.db2.gz NBNWHKQNZSDJMC-JTQLQIEISA-N 1 0 341.368 -1.525 20 0 EAADRO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266510823 785113844 /nfs/dbraw/zinc/11/38/44/785113844.db2.gz GNJRMHYYTOWWEE-GHMZBOCLSA-N 1 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ZINC001266515271 785113702 /nfs/dbraw/zinc/11/37/02/785113702.db2.gz SKPVAHJGRHODJB-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001266516528 785114159 /nfs/dbraw/zinc/11/41/59/785114159.db2.gz CDIJYWWCESUJRP-JTQLQIEISA-N 1 0 341.412 -1.917 20 0 EAADRO NC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CCCC2)C1 ZINC001266516792 785115021 /nfs/dbraw/zinc/11/50/21/785115021.db2.gz IGCWKKLNELMVNX-NSHDSACASA-N 1 0 339.396 -1.179 20 0 EAADRO COCCOCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001266516796 785115728 /nfs/dbraw/zinc/11/57/28/785115728.db2.gz ILYOSEUEDJFRPO-LBPRGKRZSA-N 1 0 327.381 -1.011 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC(=O)NC1CC1 ZINC001266516886 785115273 /nfs/dbraw/zinc/11/52/73/785115273.db2.gz JYAYCTKLEBNWQL-SCZZXKLOSA-N 1 0 325.369 -1.571 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC(=O)NC1CC1 ZINC001266516953 785115035 /nfs/dbraw/zinc/11/50/35/785115035.db2.gz JYAYCTKLEBNWQL-WPRPVWTQSA-N 1 0 325.369 -1.571 20 0 EAADRO COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266517069 785115008 /nfs/dbraw/zinc/11/50/08/785115008.db2.gz FOGOGIPBHFAGGV-AXFHLTTASA-N 1 0 328.369 -1.970 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266517071 785115654 /nfs/dbraw/zinc/11/56/54/785115654.db2.gz FOGOGIPBHFAGGV-DCAQKATOSA-N 1 0 328.369 -1.970 20 0 EAADRO COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266517074 785115343 /nfs/dbraw/zinc/11/53/43/785115343.db2.gz FOGOGIPBHFAGGV-MXWKQRLJSA-N 1 0 328.369 -1.970 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266517076 785115997 /nfs/dbraw/zinc/11/59/97/785115997.db2.gz FOGOGIPBHFAGGV-VWYCJHECSA-N 1 0 328.369 -1.970 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001266517181 785114776 /nfs/dbraw/zinc/11/47/76/785114776.db2.gz OFHKDHNQBYVKMR-NSHDSACASA-N 1 0 341.412 -1.963 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001266517315 785115539 /nfs/dbraw/zinc/11/55/39/785115539.db2.gz IGEDVWPBNHYETM-MNOVXSKESA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001266517316 785115109 /nfs/dbraw/zinc/11/51/09/785115109.db2.gz IGEDVWPBNHYETM-QWRGUYRKSA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001266517767 785115486 /nfs/dbraw/zinc/11/54/86/785115486.db2.gz NAONGANDELFDFC-CYBMUJFWSA-N 1 0 329.397 -1.708 20 0 EAADRO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001266517768 785115836 /nfs/dbraw/zinc/11/58/36/785115836.db2.gz NAONGANDELFDFC-ZDUSSCGKSA-N 1 0 329.397 -1.708 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001266519343 785115958 /nfs/dbraw/zinc/11/59/58/785115958.db2.gz HGRAIHCUDADNBA-NSHDSACASA-N 1 0 338.412 -1.041 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001266519391 785115215 /nfs/dbraw/zinc/11/52/15/785115215.db2.gz 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325.369 -1.841 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266550151 785123015 /nfs/dbraw/zinc/12/30/15/785123015.db2.gz XIFZXTACJYWLJB-XPTSAGLGSA-N 1 0 325.369 -1.841 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001266551906 785123492 /nfs/dbraw/zinc/12/34/92/785123492.db2.gz DYGYQECQBCWECF-IUCAKERBSA-N 1 0 347.397 -2.676 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001266553165 785123090 /nfs/dbraw/zinc/12/30/90/785123090.db2.gz FTQZSOPKHYQSSI-KBPBESRZSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001266553166 785123464 /nfs/dbraw/zinc/12/34/64/785123464.db2.gz FTQZSOPKHYQSSI-KGLIPLIRSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266553227 785123282 /nfs/dbraw/zinc/12/32/82/785123282.db2.gz IHXCIQFSCGEMCF-NSHDSACASA-N 1 0 337.442 -1.486 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001266553370 785123528 /nfs/dbraw/zinc/12/35/28/785123528.db2.gz JNZYEZWDEKLXTA-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001266553371 785122795 /nfs/dbraw/zinc/12/27/95/785122795.db2.gz JNZYEZWDEKLXTA-RYUDHWBXSA-N 1 0 346.453 -1.215 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001266553901 785122472 /nfs/dbraw/zinc/12/24/72/785122472.db2.gz XWDLOMMZOVSIBF-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001266553902 785122985 /nfs/dbraw/zinc/12/29/85/785122985.db2.gz XWDLOMMZOVSIBF-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001266554690 785123192 /nfs/dbraw/zinc/12/31/92/785123192.db2.gz FAWBXLOWYCLNSI-UWVGGRQHSA-N 1 0 336.352 -1.881 20 0 EAADRO O=C(c1nc[nH]n1)N1CC[C@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001266554691 785123366 /nfs/dbraw/zinc/12/33/66/785123366.db2.gz FAWBXLOWYCLNSI-VHSXEESVSA-N 1 0 336.352 -1.881 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001266555392 785123000 /nfs/dbraw/zinc/12/30/00/785123000.db2.gz WOJXQWCTOKIWLR-JTQLQIEISA-N 1 0 331.402 -2.197 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001266559473 785122809 /nfs/dbraw/zinc/12/28/09/785122809.db2.gz BHPAXLTVPBRLAC-QWRGUYRKSA-N 1 0 328.369 -1.922 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001266559474 785122774 /nfs/dbraw/zinc/12/27/74/785122774.db2.gz BHPAXLTVPBRLAC-WDEREUQCSA-N 1 0 328.369 -1.922 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)C1=O ZINC001266559934 785123505 /nfs/dbraw/zinc/12/35/05/785123505.db2.gz UEARUUVYDNLKOM-JTQLQIEISA-N 1 0 346.409 -1.885 20 0 EAADRO COCCOCC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001266559991 785122974 /nfs/dbraw/zinc/12/29/74/785122974.db2.gz WDVXUVMSMOHPOX-LBPRGKRZSA-N 1 0 342.396 -1.266 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001266560056 785123373 /nfs/dbraw/zinc/12/33/73/785123373.db2.gz YIHZFEQRZRLAOC-JTQLQIEISA-N 1 0 330.414 -1.523 20 0 EAADRO CCC[N@H+](CCNC(=O)c1ncn(C)n1)CCN1C(=O)CNC1=O ZINC001266560529 785122738 /nfs/dbraw/zinc/12/27/38/785122738.db2.gz QJCMITATVKQQDW-UHFFFAOYSA-N 1 0 337.384 -1.191 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001266562243 785124406 /nfs/dbraw/zinc/12/44/06/785124406.db2.gz SOYLZSXVGSFMLM-STQMWFEESA-N 1 0 326.397 -1.392 20 0 EAADRO CCC[N@H+](CCNC(=O)[C@@H]1CCCNC1=O)[C@H](C)C(=O)NC(N)=O ZINC001266562759 785124305 /nfs/dbraw/zinc/12/43/05/785124305.db2.gz MYIVAXLFMCSWGL-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC[N@H+](CCNC(=O)[C@H]1CCCNC1=O)[C@H](C)C(=O)NC(N)=O ZINC001266562760 785124927 /nfs/dbraw/zinc/12/49/27/785124927.db2.gz MYIVAXLFMCSWGL-MNOVXSKESA-N 1 0 341.412 -1.076 20 0 EAADRO CCC[N@H+](CCNC(=O)[C@H]1CCCNC1=O)[C@@H](C)C(=O)NC(N)=O ZINC001266562761 785124269 /nfs/dbraw/zinc/12/42/69/785124269.db2.gz MYIVAXLFMCSWGL-QWRGUYRKSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC[N@H+](CCNC(=O)[C@@H]1CCCNC1=O)[C@@H](C)C(=O)NC(N)=O ZINC001266562762 785124250 /nfs/dbraw/zinc/12/42/50/785124250.db2.gz MYIVAXLFMCSWGL-WDEREUQCSA-N 1 0 341.412 -1.076 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001266565669 785125131 /nfs/dbraw/zinc/12/51/31/785125131.db2.gz IZNUWPFHVFFSMY-QWRGUYRKSA-N 1 0 339.396 -1.310 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001266565670 785124414 /nfs/dbraw/zinc/12/44/14/785124414.db2.gz IZNUWPFHVFFSMY-WDEREUQCSA-N 1 0 339.396 -1.310 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001266565707 785125348 /nfs/dbraw/zinc/12/53/48/785125348.db2.gz KWZAVXYZTSDGMS-QWRGUYRKSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001266565708 785124333 /nfs/dbraw/zinc/12/43/33/785124333.db2.gz KWZAVXYZTSDGMS-WDEREUQCSA-N 1 0 337.380 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/nfs/dbraw/zinc/14/78/33/785147833.db2.gz IIRXRXHLUUJKAO-GARJFASQSA-N 1 0 332.426 -1.701 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001266690336 785147819 /nfs/dbraw/zinc/14/78/19/785147819.db2.gz IIRXRXHLUUJKAO-MXWKQRLJSA-N 1 0 332.426 -1.701 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001266690442 785147233 /nfs/dbraw/zinc/14/72/33/785147233.db2.gz VVYFCYMJLGPLHU-JTQLQIEISA-N 1 0 339.400 -1.930 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001266690443 785147888 /nfs/dbraw/zinc/14/78/88/785147888.db2.gz VVYFCYMJLGPLHU-SNVBAGLBSA-N 1 0 339.400 -1.930 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(=O)c1cn(C)nn1 ZINC001266690522 785147364 /nfs/dbraw/zinc/14/73/64/785147364.db2.gz YIJDGAGMBAMURQ-JTQLQIEISA-N 1 0 338.368 -2.013 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(=O)c1cn(C)nn1 ZINC001266690523 785146898 /nfs/dbraw/zinc/14/68/98/785146898.db2.gz YIJDGAGMBAMURQ-SNVBAGLBSA-N 1 0 338.368 -2.013 20 0 EAADRO Cc1nnc(CC(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)o1 ZINC001266690547 785147510 /nfs/dbraw/zinc/14/75/10/785147510.db2.gz ZBUYITRFNQWCNU-UHFFFAOYSA-N 1 0 333.414 -1.140 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266690573 785147257 /nfs/dbraw/zinc/14/72/57/785147257.db2.gz LBTPWAVZSJTHST-MMWGEVLESA-N 1 0 339.396 -1.264 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266690574 785147532 /nfs/dbraw/zinc/14/75/32/785147532.db2.gz LBTPWAVZSJTHST-ZNSHCXBVSA-N 1 0 339.396 -1.264 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1cnnn1CC ZINC001266692076 785147437 /nfs/dbraw/zinc/14/74/37/785147437.db2.gz FUNPYRURYFJGIH-UHFFFAOYSA-N 1 0 325.373 -1.195 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001266693154 785148995 /nfs/dbraw/zinc/14/89/95/785148995.db2.gz QFKXADSYCDMVAN-DTORHVGOSA-N 1 0 329.382 -1.418 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001266693218 785148644 /nfs/dbraw/zinc/14/86/44/785148644.db2.gz RWURTJZPYMIYRT-AOOOYVTPSA-N 1 0 334.442 -1.326 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)CC1(O)CCC1 ZINC001266694588 785148909 /nfs/dbraw/zinc/14/89/09/785148909.db2.gz SFPHDDNNETZBBE-UHFFFAOYSA-N 1 0 326.397 -1.702 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001266695064 785149080 /nfs/dbraw/zinc/14/90/80/785149080.db2.gz JOXWLHGFDBMFCS-OCAPTIKFSA-N 1 0 349.338 -1.550 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)C3CC3)C2)c1=O ZINC001266695120 785148367 /nfs/dbraw/zinc/14/83/67/785148367.db2.gz LFXKXCRDUXXTQK-TXEJJXNPSA-N 1 0 336.396 -1.655 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001266695576 785148925 /nfs/dbraw/zinc/14/89/25/785148925.db2.gz ZKRJSCKWWOVLOA-MCIONIFRSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001266695577 785149148 /nfs/dbraw/zinc/14/91/48/785149148.db2.gz ZKRJSCKWWOVLOA-MELADBBJSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)Cc1ccn(C)n1 ZINC001266696336 785149044 /nfs/dbraw/zinc/14/90/44/785149044.db2.gz FNMBPQHBQHGAOK-UHFFFAOYSA-N 1 0 336.396 -1.048 20 0 EAADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)ccc1=O ZINC001266697144 785148919 /nfs/dbraw/zinc/14/89/19/785148919.db2.gz GXVKUNUVCJCWGM-TXEJJXNPSA-N 1 0 342.421 -1.215 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001266699330 785148760 /nfs/dbraw/zinc/14/87/60/785148760.db2.gz GHESERWGWQSFAX-UHFFFAOYSA-N 1 0 347.445 -1.899 20 0 EAADRO CNS(=O)(=O)CCC(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001266699372 785149111 /nfs/dbraw/zinc/14/91/11/785149111.db2.gz HCRXSCVKEYSNQP-UHFFFAOYSA-N 1 0 344.437 -1.127 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)Cn1ncnn1 ZINC001266701842 785148831 /nfs/dbraw/zinc/14/88/31/785148831.db2.gz GSZYVZCPZFJPHZ-LLVKDONJSA-N 1 0 325.373 -1.984 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)Cn1ncnn1 ZINC001266701843 785148682 /nfs/dbraw/zinc/14/86/82/785148682.db2.gz GSZYVZCPZFJPHZ-NSHDSACASA-N 1 0 325.373 -1.984 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cn1ncnn1 ZINC001266702321 785148627 /nfs/dbraw/zinc/14/86/27/785148627.db2.gz XLWDADLILVURHG-UHFFFAOYSA-N 1 0 340.388 -1.797 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)Cn1cnc(C(N)=O)n1 ZINC001266703147 785148794 /nfs/dbraw/zinc/14/87/94/785148794.db2.gz CDFZPEDSEXEGFX-JTQLQIEISA-N 1 0 347.383 -1.796 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)Cn1cnc(C(N)=O)n1 ZINC001266703148 785148609 /nfs/dbraw/zinc/14/86/09/785148609.db2.gz CDFZPEDSEXEGFX-SNVBAGLBSA-N 1 0 347.383 -1.796 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001266703942 785148622 /nfs/dbraw/zinc/14/86/22/785148622.db2.gz SJUWEADRPCLOEJ-AXFHLTTASA-N 1 0 332.426 -1.701 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001266703943 785148424 /nfs/dbraw/zinc/14/84/24/785148424.db2.gz SJUWEADRPCLOEJ-OUAUKWLOSA-N 1 0 332.426 -1.701 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001266703981 785149006 /nfs/dbraw/zinc/14/90/06/785149006.db2.gz VDNOWYQZJBILDC-FRRDWIJNSA-N 1 0 326.397 -1.488 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001266703982 785148655 /nfs/dbraw/zinc/14/86/55/785148655.db2.gz VDNOWYQZJBILDC-XQQFMLRXSA-N 1 0 326.397 -1.488 20 0 EAADRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001266703995 785148891 /nfs/dbraw/zinc/14/88/91/785148891.db2.gz VPYXDSMVNXGQHT-AOOOYVTPSA-N 1 0 335.368 -1.095 20 0 EAADRO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001266704042 785148395 /nfs/dbraw/zinc/14/83/95/785148395.db2.gz RKOCTYHWFUESPO-UHFFFAOYSA-N 1 0 347.379 -1.676 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001266704091 785149094 /nfs/dbraw/zinc/14/90/94/785149094.db2.gz UOLAWNWDFSGUCX-UHFFFAOYSA-N 1 0 337.384 -1.953 20 0 EAADRO CN(CC[NH2+]CCN1CCNC1=O)C(=O)Cn1cnc(C(N)=O)n1 ZINC001266704270 785148383 /nfs/dbraw/zinc/14/83/83/785148383.db2.gz YOZWVXMPMPNEBW-UHFFFAOYSA-N 1 0 338.372 -2.550 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001266705255 785148989 /nfs/dbraw/zinc/14/89/89/785148989.db2.gz BQZQCPTYDCJHJM-TUAOUCFPSA-N 1 0 346.453 -1.217 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001266705544 785148411 /nfs/dbraw/zinc/14/84/11/785148411.db2.gz KZCSRXAEUVRULK-AEJSXWLSSA-N 1 0 325.369 -1.843 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001266705545 785150337 /nfs/dbraw/zinc/15/03/37/785150337.db2.gz KZCSRXAEUVRULK-KXUCPTDWSA-N 1 0 325.369 -1.843 20 0 EAADRO NC(=O)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC1 ZINC001266707720 785149758 /nfs/dbraw/zinc/14/97/58/785149758.db2.gz CASVWTDIMITLIE-AOOOYVTPSA-N 1 0 334.380 -1.189 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001266707767 785149820 /nfs/dbraw/zinc/14/98/20/785149820.db2.gz DEMPUQKXRGZHDM-FRRDWIJNSA-N 1 0 340.424 -1.003 20 0 EAADRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)C1 ZINC001266707900 785149749 /nfs/dbraw/zinc/14/97/49/785149749.db2.gz ICBQZQMOGVKUNG-PHIMTYICSA-N 1 0 340.405 -1.313 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CNC(=O)c1ccncc1 ZINC001266708073 785149848 /nfs/dbraw/zinc/14/98/48/785149848.db2.gz AOZVTTQOGAGNEN-GFCCVEGCSA-N 1 0 347.375 -1.335 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CNC(=O)c1ccncc1 ZINC001266708074 785149695 /nfs/dbraw/zinc/14/96/95/785149695.db2.gz AOZVTTQOGAGNEN-LBPRGKRZSA-N 1 0 347.375 -1.335 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001266708605 785150136 /nfs/dbraw/zinc/15/01/36/785150136.db2.gz WBCQXGHJXGYASY-AEJSXWLSSA-N 1 0 333.414 -2.156 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001266708606 785150021 /nfs/dbraw/zinc/15/00/21/785150021.db2.gz WBCQXGHJXGYASY-KXUCPTDWSA-N 1 0 333.414 -2.156 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)CNC(=O)c1ccncc1 ZINC001266709072 785149716 /nfs/dbraw/zinc/14/97/16/785149716.db2.gz UXKQMTHFDCRMBU-UHFFFAOYSA-N 1 0 342.421 -1.096 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)C1CS(=O)(=O)C1 ZINC001266710172 785150071 /nfs/dbraw/zinc/15/00/71/785150071.db2.gz HXLOJEIMDIRGAW-UHFFFAOYSA-N 1 0 341.393 -1.492 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)c1cccn2nnnc12 ZINC001266711891 785150629 /nfs/dbraw/zinc/15/06/29/785150629.db2.gz ILAHZEDFCCZPLB-UHFFFAOYSA-N 1 0 326.382 -1.170 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001266712770 785151375 /nfs/dbraw/zinc/15/13/75/785151375.db2.gz CXZCFLOSBGBWFG-ZRUFSTJUSA-N 1 0 348.425 -2.195 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001266714249 785151635 /nfs/dbraw/zinc/15/16/35/785151635.db2.gz FFODJJPJALDIRL-AEJSXWLSSA-N 1 0 346.409 -1.744 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001266715621 785151238 /nfs/dbraw/zinc/15/12/38/785151238.db2.gz AGWNXJZZZTUVCM-JTQLQIEISA-N 1 0 341.412 -1.124 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001266715622 785150774 /nfs/dbraw/zinc/15/07/74/785150774.db2.gz AGWNXJZZZTUVCM-SNVBAGLBSA-N 1 0 341.412 -1.124 20 0 EAADRO CCS(=O)(=O)NCC(=O)N(C)CC[NH2+]CC(=O)NC(C)(C)C ZINC001266716212 785150989 /nfs/dbraw/zinc/15/09/89/785150989.db2.gz OPNDEQJUWIBOKD-UHFFFAOYSA-N 1 0 336.458 -1.112 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)CCNS(C)(=O)=O ZINC001266716224 785151294 /nfs/dbraw/zinc/15/12/94/785151294.db2.gz OQOCKARQDUYXAK-UHFFFAOYSA-N 1 0 348.469 -1.014 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001266716481 785150932 /nfs/dbraw/zinc/15/09/32/785150932.db2.gz SNHOMLBWCZSRLR-UHFFFAOYSA-N 1 0 337.402 -2.619 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)CN(C)S(C)(=O)=O ZINC001266716496 785151545 /nfs/dbraw/zinc/15/15/45/785151545.db2.gz SVYKSTKKOJNZPW-UHFFFAOYSA-N 1 0 348.469 -1.062 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001266716592 785151253 /nfs/dbraw/zinc/15/12/53/785151253.db2.gz NEAUODYNOCSJEL-HLTSFMKQSA-N 1 0 339.352 -2.222 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001266716593 785150620 /nfs/dbraw/zinc/15/06/20/785150620.db2.gz NEAUODYNOCSJEL-XHNCKOQMSA-N 1 0 339.352 -2.222 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)CN(C)S(C)(=O)=O ZINC001266716620 785151386 /nfs/dbraw/zinc/15/13/86/785151386.db2.gz UIMFKRDOIHEJJA-UHFFFAOYSA-N 1 0 334.442 -1.453 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001266716915 785151009 /nfs/dbraw/zinc/15/10/09/785151009.db2.gz XDDODGRHRLQZPF-OLZOCXBDSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001266716916 785150762 /nfs/dbraw/zinc/15/07/62/785150762.db2.gz XDDODGRHRLQZPF-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CN(C)C(=O)C1CC1 ZINC001266716976 785151645 /nfs/dbraw/zinc/15/16/45/785151645.db2.gz YZOFDEUJYCISGA-UHFFFAOYSA-N 1 0 339.396 -1.545 20 0 EAADRO CNC(=O)NCC(=O)N(C)CC[NH2+]CCCN1C(=O)CNC1=O ZINC001266718245 785151421 /nfs/dbraw/zinc/15/14/21/785151421.db2.gz IDJFZGUDWMVYRK-UHFFFAOYSA-N 1 0 328.373 -2.095 20 0 EAADRO Cc1nccnc1C[NH2+]CCN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001266718307 785151021 /nfs/dbraw/zinc/15/10/21/785151021.db2.gz KWRZUDRSRWUTFI-UHFFFAOYSA-N 1 0 346.391 -1.106 20 0 EAADRO CCn1nncc1C[NH2+]CCN(C)C(=O)CN1CCCS1(=O)=O ZINC001266718322 785151529 /nfs/dbraw/zinc/15/15/29/785151529.db2.gz LGOVVOCOTSSSNT-UHFFFAOYSA-N 1 0 344.441 -1.119 20 0 EAADRO Cc1cnc(C[NH2+]CCN(C)C(=O)Cn2ccc(=O)n(C)c2=O)cn1 ZINC001266718327 785151485 /nfs/dbraw/zinc/15/14/85/785151485.db2.gz LLZVQGFJOJPQFA-UHFFFAOYSA-N 1 0 346.391 -1.106 20 0 EAADRO CN(CC[NH2+]CCc1cnn(C)c1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001266718397 785151264 /nfs/dbraw/zinc/15/12/64/785151264.db2.gz NYNDRQGHVMBIBO-UHFFFAOYSA-N 1 0 348.407 -1.429 20 0 EAADRO 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OZSYMRJIDGUHOI-STQMWFEESA-N 1 0 342.440 -1.089 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001266723329 785152530 /nfs/dbraw/zinc/15/25/30/785152530.db2.gz BRGYLUHBKCULSB-AOOOYVTPSA-N 1 0 325.369 -1.795 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001266724526 785152612 /nfs/dbraw/zinc/15/26/12/785152612.db2.gz RKSBOMVAKFRXQO-JTQLQIEISA-N 1 0 325.369 -1.888 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[C@H]1CCNC1=O ZINC001266724527 785152573 /nfs/dbraw/zinc/15/25/73/785152573.db2.gz RKSBOMVAKFRXQO-SNVBAGLBSA-N 1 0 325.369 -1.888 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001266725759 785152770 /nfs/dbraw/zinc/15/27/70/785152770.db2.gz SSSRQQSEPNIUGD-AOOOYVTPSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1cnn2ccncc12 ZINC001266726171 785151913 /nfs/dbraw/zinc/15/19/13/785151913.db2.gz KCBVUNCCTKZYGA-UHFFFAOYSA-N 1 0 333.352 -1.154 20 0 EAADRO C[C@H](C[NH2+]CCN(C)C(=O)CN1CCOCC1=O)CS(C)(=O)=O ZINC001266726249 785152015 /nfs/dbraw/zinc/15/20/15/785152015.db2.gz MWNGPJQLFLLTOG-GFCCVEGCSA-N 1 0 349.453 -1.426 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)C(=O)CN1CCOCC1=O)CS(C)(=O)=O ZINC001266726250 785152564 /nfs/dbraw/zinc/15/25/64/785152564.db2.gz MWNGPJQLFLLTOG-LBPRGKRZSA-N 1 0 349.453 -1.426 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)CN1CCOCC1=O ZINC001266726433 785151987 /nfs/dbraw/zinc/15/19/87/785151987.db2.gz VTAOTSDMWLZKKC-UHFFFAOYSA-N 1 0 326.397 -1.486 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001266728599 785152546 /nfs/dbraw/zinc/15/25/46/785152546.db2.gz DJPRJXOVFLYEBY-JTQLQIEISA-N 1 0 327.385 -1.595 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)CC1CC1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001266728646 785152699 /nfs/dbraw/zinc/15/26/99/785152699.db2.gz FWMZEAIWAYUPKK-NSHDSACASA-N 1 0 339.396 -1.499 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001266728823 785152184 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339.396 -1.453 20 0 EAADRO C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O)C(=O)NC1CC1 ZINC001266729077 785152491 /nfs/dbraw/zinc/15/24/91/785152491.db2.gz XLGZZTIZQNJYAE-SCZZXKLOSA-N 1 0 325.369 -1.700 20 0 EAADRO C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O)C(=O)NC1CC1 ZINC001266729078 785152935 /nfs/dbraw/zinc/15/29/35/785152935.db2.gz XLGZZTIZQNJYAE-WPRPVWTQSA-N 1 0 325.369 -1.700 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001266729651 785152136 /nfs/dbraw/zinc/15/21/36/785152136.db2.gz BARFPTQIGXKDPY-AOOOYVTPSA-N 1 0 325.369 -1.747 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001266729663 785152929 /nfs/dbraw/zinc/15/29/29/785152929.db2.gz BLRMXUGFIIOYFP-PHIMTYICSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001266729701 785152273 /nfs/dbraw/zinc/15/22/73/785152273.db2.gz DIKRORXBSHVOMT-AXFHLTTASA-N 1 0 337.380 -1.556 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001266729702 785152736 /nfs/dbraw/zinc/15/27/36/785152736.db2.gz DIKRORXBSHVOMT-OUAUKWLOSA-N 1 0 337.380 -1.556 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001266729718 785152750 /nfs/dbraw/zinc/15/27/50/785152750.db2.gz FASNGBQDLIIBND-DTORHVGOSA-N 1 0 339.352 -2.172 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266730094 785152874 /nfs/dbraw/zinc/15/28/74/785152874.db2.gz LJGISPAODMJLGL-AOOOYVTPSA-N 1 0 325.369 -1.795 20 0 EAADRO CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001266730164 785152173 /nfs/dbraw/zinc/15/21/73/785152173.db2.gz NKVATMBIEBIKPJ-BETUJISGSA-N 1 0 333.454 -1.010 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266730242 785152151 /nfs/dbraw/zinc/15/21/51/785152151.db2.gz PPNBYUPGQLRZQR-BBBLOLIVSA-N 1 0 325.369 -1.748 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 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345.421 -1.289 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001266737368 785155625 /nfs/dbraw/zinc/15/56/25/785155625.db2.gz RRTDIEHKCUECDM-BBBLOLIVSA-N 1 0 331.394 -1.679 20 0 EAADRO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001266737369 785154401 /nfs/dbraw/zinc/15/44/01/785154401.db2.gz RRTDIEHKCUECDM-LPEHRKFASA-N 1 0 331.394 -1.679 20 0 EAADRO Cc1nc(C(=O)N(C)CC[NH2+][C@H]2CCC(=O)NC2=O)c(=O)[nH]c1C ZINC001266738307 785155600 /nfs/dbraw/zinc/15/56/00/785155600.db2.gz GDYMIFHAGDQARQ-JTQLQIEISA-N 1 0 335.364 -1.146 20 0 EAADRO Cc1nc(C(=O)N(C)CC[NH2+][C@@H]2CCC(=O)NC2=O)c(=O)[nH]c1C ZINC001266738315 785154940 /nfs/dbraw/zinc/15/49/40/785154940.db2.gz GDYMIFHAGDQARQ-SNVBAGLBSA-N 1 0 335.364 -1.146 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1cn2c(n1)COCC2 ZINC001266740879 785154564 /nfs/dbraw/zinc/15/45/64/785154564.db2.gz CCSJEIDLDUAZJX-UHFFFAOYSA-N 1 0 338.368 -1.470 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@]1(C)CCNC(=O)C1 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EAADRO CC(=O)NCC(=O)NCC(=O)N(C)CC[NH2+]Cc1conc1C ZINC001266745645 785155502 /nfs/dbraw/zinc/15/55/02/785155502.db2.gz FHZDTACGNMOMRZ-UHFFFAOYSA-N 1 0 325.369 -1.217 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001266745791 785154790 /nfs/dbraw/zinc/15/47/90/785154790.db2.gz JVOSYHRFFWCTLT-LLVKDONJSA-N 1 0 339.396 -1.545 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001266745792 785154697 /nfs/dbraw/zinc/15/46/97/785154697.db2.gz JVOSYHRFFWCTLT-NSHDSACASA-N 1 0 339.396 -1.545 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001266745836 785155570 /nfs/dbraw/zinc/15/55/70/785155570.db2.gz LWQANIURHJPTKG-UHFFFAOYSA-N 1 0 341.412 -2.091 20 0 EAADRO COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001266749742 785155303 /nfs/dbraw/zinc/15/53/03/785155303.db2.gz WHWGJDZQJODRBD-MNOVXSKESA-N 1 0 327.385 -1.399 20 0 EAADRO COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001266749743 785155315 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C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)c1cn[nH]n1)C(=O)N(C)C ZINC001266757244 785154805 /nfs/dbraw/zinc/15/48/05/785154805.db2.gz SNSYBUKNGAHKNS-VIFPVBQESA-N 1 0 325.373 -1.941 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)NC1 ZINC001266757271 785155545 /nfs/dbraw/zinc/15/55/45/785155545.db2.gz UKXFVPPWTVCTKF-JTQLQIEISA-N 1 0 339.396 -1.451 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001266757272 785155174 /nfs/dbraw/zinc/15/51/74/785155174.db2.gz UKXFVPPWTVCTKF-SNVBAGLBSA-N 1 0 339.396 -1.451 20 0 EAADRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001266757509 785156990 /nfs/dbraw/zinc/15/69/90/785156990.db2.gz BHHFJTOHOWAAGN-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001266757510 785156779 /nfs/dbraw/zinc/15/67/79/785156779.db2.gz BHHFJTOHOWAAGN-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO CN(CCNCc1ncnn1C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001266760030 785156604 /nfs/dbraw/zinc/15/66/04/785156604.db2.gz SHXXTXWHNZCZQY-UHFFFAOYSA-N 1 0 342.381 -1.083 20 0 EAADRO CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)CN1CCCNC1=O ZINC001266760134 785156791 /nfs/dbraw/zinc/15/67/91/785156791.db2.gz VXQMFEYOZYGNGO-UHFFFAOYSA-N 1 0 325.413 -1.024 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001266760855 785156876 /nfs/dbraw/zinc/15/68/76/785156876.db2.gz NTSOYRKIONWGAO-NEPJUHHUSA-N 1 0 326.397 -1.547 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001266760856 785156179 /nfs/dbraw/zinc/15/61/79/785156179.db2.gz NTSOYRKIONWGAO-NWDGAFQWSA-N 1 0 326.397 -1.547 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001266760857 785156399 /nfs/dbraw/zinc/15/63/99/785156399.db2.gz NTSOYRKIONWGAO-RYUDHWBXSA-N 1 0 326.397 -1.547 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001266760858 785156795 /nfs/dbraw/zinc/15/67/95/785156795.db2.gz NTSOYRKIONWGAO-VXGBXAGGSA-N 1 0 326.397 -1.547 20 0 EAADRO CC(C)CNC(=O)NC(=O)CN1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001266760875 785156839 /nfs/dbraw/zinc/15/68/39/785156839.db2.gz OCWTYHGWAHEVMU-LLVKDONJSA-N 1 0 341.412 -1.218 20 0 EAADRO CC(C)CNC(=O)NC(=O)CN1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266760876 785157005 /nfs/dbraw/zinc/15/70/05/785157005.db2.gz OCWTYHGWAHEVMU-NSHDSACASA-N 1 0 341.412 -1.218 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001266761359 785156806 /nfs/dbraw/zinc/15/68/06/785156806.db2.gz YUTJZPNQGJEFSQ-NEPJUHHUSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001266761360 785156262 /nfs/dbraw/zinc/15/62/62/785156262.db2.gz YUTJZPNQGJEFSQ-NWDGAFQWSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001266761361 785156886 /nfs/dbraw/zinc/15/68/86/785156886.db2.gz YUTJZPNQGJEFSQ-RYUDHWBXSA-N 1 0 346.453 -1.419 20 0 EAADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001266761362 785156058 /nfs/dbraw/zinc/15/60/58/785156058.db2.gz YUTJZPNQGJEFSQ-VXGBXAGGSA-N 1 0 346.453 -1.419 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001266764254 785156950 /nfs/dbraw/zinc/15/69/50/785156950.db2.gz NOYBXEJGTXEAPB-AAEUAGOBSA-N 1 0 341.408 -1.125 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001266764255 785156754 /nfs/dbraw/zinc/15/67/54/785156754.db2.gz NOYBXEJGTXEAPB-YPMHNXCESA-N 1 0 341.408 -1.125 20 0 EAADRO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001266765146 785156750 /nfs/dbraw/zinc/15/67/50/785156750.db2.gz OEONQZUFFKOTMQ-UHFFFAOYSA-N 1 0 349.395 -1.095 20 0 EAADRO CN(CC[NH2+]CCc1ccnn1C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001266765159 785157016 /nfs/dbraw/zinc/15/70/16/785157016.db2.gz OQRQNVJRALNVHN-UHFFFAOYSA-N 1 0 334.380 -1.027 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001266765274 785156921 /nfs/dbraw/zinc/15/69/21/785156921.db2.gz SPGYZCLCXOKJQT-UHFFFAOYSA-N 1 0 339.396 -1.231 20 0 EAADRO COCCn1nc(C(=O)N(C)CC[NH2+]CC(=O)N(C)C)ccc1=O ZINC001266765964 785156762 /nfs/dbraw/zinc/15/67/62/785156762.db2.gz CUQDVXAHHCCDQV-UHFFFAOYSA-N 1 0 339.396 -1.361 20 0 EAADRO O=C(Cn1cncn1)NC[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266767499 785156126 /nfs/dbraw/zinc/15/61/26/785156126.db2.gz ORMHRQHBRRNJKD-NEPJUHHUSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)NC[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266767500 785156819 /nfs/dbraw/zinc/15/68/19/785156819.db2.gz ORMHRQHBRRNJKD-NWDGAFQWSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)NC[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266767502 785156709 /nfs/dbraw/zinc/15/67/09/785156709.db2.gz ORMHRQHBRRNJKD-RYUDHWBXSA-N 1 0 334.380 -1.089 20 0 EAADRO O=C(Cn1cncn1)NC[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266767503 785156504 /nfs/dbraw/zinc/15/65/04/785156504.db2.gz ORMHRQHBRRNJKD-VXGBXAGGSA-N 1 0 334.380 -1.089 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767816 785156450 /nfs/dbraw/zinc/15/64/50/785156450.db2.gz RWUGHNJFHYDADZ-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767817 785156311 /nfs/dbraw/zinc/15/63/11/785156311.db2.gz RWUGHNJFHYDADZ-UWVGGRQHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767818 785156374 /nfs/dbraw/zinc/15/63/74/785156374.db2.gz RWUGHNJFHYDADZ-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767819 785156852 /nfs/dbraw/zinc/15/68/52/785156852.db2.gz RWUGHNJFHYDADZ-ZJUUUORDSA-N 1 0 325.369 -1.760 20 0 EAADRO CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)c1ccc(C(N)=O)o1 ZINC001266768755 785156687 /nfs/dbraw/zinc/15/66/87/785156687.db2.gz OVUTUCVBHWSFEL-UHFFFAOYSA-N 1 0 332.382 -1.411 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1cn(C)ccc1=O ZINC001266770649 785157871 /nfs/dbraw/zinc/15/78/71/785157871.db2.gz AJHNWBSLCFCQHX-UHFFFAOYSA-N 1 0 337.380 -1.107 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)c1cn(C)ccc1=O ZINC001266770817 785157773 /nfs/dbraw/zinc/15/77/73/785157773.db2.gz IELNYGUAGOBZTJ-UHFFFAOYSA-N 1 0 344.437 -1.062 20 0 EAADRO COC(=O)NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001266775750 785157899 /nfs/dbraw/zinc/15/78/99/785157899.db2.gz NKMIUIMXAYSSIW-GHMZBOCLSA-N 1 0 340.380 -1.024 20 0 EAADRO COC(=O)NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001266775751 785157925 /nfs/dbraw/zinc/15/79/25/785157925.db2.gz NKMIUIMXAYSSIW-MNOVXSKESA-N 1 0 340.380 -1.024 20 0 EAADRO COC(=O)NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001266775752 785157838 /nfs/dbraw/zinc/15/78/38/785157838.db2.gz NKMIUIMXAYSSIW-QWRGUYRKSA-N 1 0 340.380 -1.024 20 0 EAADRO COC(=O)NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001266775753 785157932 /nfs/dbraw/zinc/15/79/32/785157932.db2.gz NKMIUIMXAYSSIW-WDEREUQCSA-N 1 0 340.380 -1.024 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CN1CCCCS1(=O)=O ZINC001266776556 785157942 /nfs/dbraw/zinc/15/79/42/785157942.db2.gz BZBNKHNJSPQOCK-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001266777932 785158038 /nfs/dbraw/zinc/15/80/38/785158038.db2.gz FKYDIBLPUOFYFM-OLZOCXBDSA-N 1 0 340.424 -1.327 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001266777933 785157956 /nfs/dbraw/zinc/15/79/56/785157956.db2.gz FKYDIBLPUOFYFM-STQMWFEESA-N 1 0 340.424 -1.327 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001266778034 785157831 /nfs/dbraw/zinc/15/78/31/785157831.db2.gz HCANZKXNKGIRLA-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001266778035 785157736 /nfs/dbraw/zinc/15/77/36/785157736.db2.gz HCANZKXNKGIRLA-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001266778560 785157894 /nfs/dbraw/zinc/15/78/94/785157894.db2.gz PIHKBSLADADGAW-GFCCVEGCSA-N 1 0 326.397 -1.451 20 0 EAADRO NC(=O)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001266778561 785157952 /nfs/dbraw/zinc/15/79/52/785157952.db2.gz PIHKBSLADADGAW-LBPRGKRZSA-N 1 0 326.397 -1.451 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCN(C(=O)CC(N)=O)C2)CCO1 ZINC001266781714 785158539 /nfs/dbraw/zinc/15/85/39/785158539.db2.gz RWPUKNMCTLMDGS-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCN(C(=O)CC(N)=O)C2)CCO1 ZINC001266781715 785158761 /nfs/dbraw/zinc/15/87/61/785158761.db2.gz RWPUKNMCTLMDGS-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCN(C(=O)CC(N)=O)C2)CCO1 ZINC001266781716 785158567 /nfs/dbraw/zinc/15/85/67/785158567.db2.gz RWPUKNMCTLMDGS-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCN(C(=O)CC(N)=O)C2)CCO1 ZINC001266781717 785159070 /nfs/dbraw/zinc/15/90/70/785159070.db2.gz RWPUKNMCTLMDGS-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO CCNC(=O)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001266784241 785159166 /nfs/dbraw/zinc/15/91/66/785159166.db2.gz OTCTXLRRXDAIRY-GHMZBOCLSA-N 1 0 341.412 -1.076 20 0 EAADRO CCNC(=O)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001266784242 785158726 /nfs/dbraw/zinc/15/87/26/785158726.db2.gz OTCTXLRRXDAIRY-MNOVXSKESA-N 1 0 341.412 -1.076 20 0 EAADRO CCNC(=O)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001266784243 785158753 /nfs/dbraw/zinc/15/87/53/785158753.db2.gz OTCTXLRRXDAIRY-QWRGUYRKSA-N 1 0 341.412 -1.076 20 0 EAADRO CCNC(=O)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001266784244 785158634 /nfs/dbraw/zinc/15/86/34/785158634.db2.gz OTCTXLRRXDAIRY-WDEREUQCSA-N 1 0 341.412 -1.076 20 0 EAADRO CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266785321 785159029 /nfs/dbraw/zinc/15/90/29/785159029.db2.gz MQUGRJCOSXSPIC-JTQLQIEISA-N 1 0 344.397 -2.724 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001266785429 785158881 /nfs/dbraw/zinc/15/88/81/785158881.db2.gz OTWYJJCUAXRFLX-NSHDSACASA-N 1 0 343.409 -1.542 20 0 EAADRO CC1CC(C[NH2+]CCN(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001266785478 785159160 /nfs/dbraw/zinc/15/91/60/785159160.db2.gz QYICNGZBYONDSA-MCIGGMRASA-N 1 0 331.438 -1.006 20 0 EAADRO COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266785764 785158932 /nfs/dbraw/zinc/15/89/32/785158932.db2.gz YAWXFBOLNMREJN-UWVGGRQHSA-N 1 0 337.398 -3.045 20 0 EAADRO COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266785765 785159129 /nfs/dbraw/zinc/15/91/29/785159129.db2.gz YAWXFBOLNMREJN-ZJUUUORDSA-N 1 0 337.398 -3.045 20 0 EAADRO Cc1oncc1C[NH2+]CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266785815 785158789 /nfs/dbraw/zinc/15/87/89/785158789.db2.gz ZTCVFRIWBQPWIB-NSHDSACASA-N 1 0 344.393 -1.556 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001266786602 785159013 /nfs/dbraw/zinc/15/90/13/785159013.db2.gz LSMIRMKRSAVRNO-GFCCVEGCSA-N 1 0 344.441 -1.064 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001266786603 785158783 /nfs/dbraw/zinc/15/87/83/785158783.db2.gz LSMIRMKRSAVRNO-LBPRGKRZSA-N 1 0 344.441 -1.064 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)c1coc(C(N)=O)c1 ZINC001266787209 785159052 /nfs/dbraw/zinc/15/90/52/785159052.db2.gz GQLYIORQZMALSW-UHFFFAOYSA-N 1 0 338.364 -1.101 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)c1coc(C(N)=O)c1 ZINC001266787520 785158733 /nfs/dbraw/zinc/15/87/33/785158733.db2.gz JNRFMFNMBXUMQQ-UHFFFAOYSA-N 1 0 337.336 -1.408 20 0 EAADRO CN(CC[NH2+]CCN1CCCC1=O)C(=O)CCn1ncn(C)c1=O ZINC001266787650 785158857 /nfs/dbraw/zinc/15/88/57/785158857.db2.gz LJZFBOCGKPFZCO-UHFFFAOYSA-N 1 0 338.412 -1.358 20 0 EAADRO COC[C@H](O)C[NH2+]CCN(C)C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001266787839 785158742 /nfs/dbraw/zinc/15/87/42/785158742.db2.gz ONOKTHWLYHMRGX-LLVKDONJSA-N 1 0 337.380 -1.000 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001266787850 785159141 /nfs/dbraw/zinc/15/91/41/785159141.db2.gz OYKZJSCAENFRJA-UHFFFAOYSA-N 1 0 326.401 -1.456 20 0 EAADRO COC[C@H](O)C[NH2+]CCN(C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC001266788301 785158995 /nfs/dbraw/zinc/15/89/95/785158995.db2.gz XTVDZQVULVIGNC-GFCCVEGCSA-N 1 0 335.368 -1.274 20 0 EAADRO COC[C@@H](O)C[NH2+]CCN(C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC001266788302 785159009 /nfs/dbraw/zinc/15/90/09/785159009.db2.gz XTVDZQVULVIGNC-LBPRGKRZSA-N 1 0 335.368 -1.274 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001266788709 785158769 /nfs/dbraw/zinc/15/87/69/785158769.db2.gz ALYQIOWXEZPIGP-UHFFFAOYSA-N 1 0 335.430 -2.289 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CCCS1(=O)=O ZINC001266788942 785158978 /nfs/dbraw/zinc/15/89/78/785158978.db2.gz IXQCYVGSCYQYOW-GHMZBOCLSA-N 1 0 345.421 -1.193 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CCCS1(=O)=O ZINC001266788943 785158895 /nfs/dbraw/zinc/15/88/95/785158895.db2.gz IXQCYVGSCYQYOW-MNOVXSKESA-N 1 0 345.421 -1.193 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001266788944 785159062 /nfs/dbraw/zinc/15/90/62/785159062.db2.gz IXQCYVGSCYQYOW-QWRGUYRKSA-N 1 0 345.421 -1.193 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001266788945 785158918 /nfs/dbraw/zinc/15/89/18/785158918.db2.gz IXQCYVGSCYQYOW-WDEREUQCSA-N 1 0 345.421 -1.193 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC001266789043 785158720 /nfs/dbraw/zinc/15/87/20/785158720.db2.gz LPWLZBKLSBWEKP-NEPJUHHUSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC001266789044 785159044 /nfs/dbraw/zinc/15/90/44/785159044.db2.gz LPWLZBKLSBWEKP-NWDGAFQWSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC001266789045 785158850 /nfs/dbraw/zinc/15/88/50/785158850.db2.gz LPWLZBKLSBWEKP-RYUDHWBXSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC001266789046 785159175 /nfs/dbraw/zinc/15/91/75/785159175.db2.gz LPWLZBKLSBWEKP-VXGBXAGGSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]CC(=O)NC(C)(C)C ZINC001266789329 785158947 /nfs/dbraw/zinc/15/89/47/785158947.db2.gz VKELUYHPCOHYKS-UHFFFAOYSA-N 1 0 337.446 -1.997 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001266789346 785159124 /nfs/dbraw/zinc/15/91/24/785159124.db2.gz WDVDEPXZYDHBEM-LLVKDONJSA-N 1 0 349.457 -1.996 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001266789347 785159049 /nfs/dbraw/zinc/15/90/49/785159049.db2.gz WDVDEPXZYDHBEM-NSHDSACASA-N 1 0 349.457 -1.996 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCNC(=O)CC1 ZINC001266789394 785158692 /nfs/dbraw/zinc/15/86/92/785158692.db2.gz XPLACODFNGQWPC-CYBMUJFWSA-N 1 0 340.424 -1.191 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001266789395 785158960 /nfs/dbraw/zinc/15/89/60/785158960.db2.gz XPLACODFNGQWPC-ZDUSSCGKSA-N 1 0 340.424 -1.191 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001266794010 785159765 /nfs/dbraw/zinc/15/97/65/785159765.db2.gz HYEBCVYPYKEHSG-UHFFFAOYSA-N 1 0 349.399 -1.166 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266794313 785159977 /nfs/dbraw/zinc/15/99/77/785159977.db2.gz YPCKEPXXVAQFNV-SRVKXCTJSA-N 1 0 342.396 -1.580 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266794314 785160280 /nfs/dbraw/zinc/16/02/80/785160280.db2.gz YPCKEPXXVAQFNV-WOPDTQHZSA-N 1 0 342.396 -1.580 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CCc1nc(C)no1 ZINC001266794526 785160081 /nfs/dbraw/zinc/16/00/81/785160081.db2.gz SCQDEHRJAXVJHO-UHFFFAOYSA-N 1 0 326.357 -1.186 20 0 EAADRO CNC(=O)C[NH2+]CCN(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001266794582 785159992 /nfs/dbraw/zinc/15/99/92/785159992.db2.gz VBLWMZLIBUDKSC-UHFFFAOYSA-N 1 0 325.369 -1.077 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC(F)F)C1 ZINC001266795854 785160212 /nfs/dbraw/zinc/16/02/12/785160212.db2.gz SMXXSJLQVDFODJ-MRVPVSSYSA-N 1 0 349.338 -1.609 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC(F)F)C1 ZINC001266795866 785159954 /nfs/dbraw/zinc/15/99/54/785159954.db2.gz SMXXSJLQVDFODJ-QMMMGPOBSA-N 1 0 349.338 -1.609 20 0 EAADRO COC[C@H](O)C[NH2+]CCN(C)C(=O)Cn1nc2ccccn2c1=O ZINC001266796751 785159896 /nfs/dbraw/zinc/15/98/96/785159896.db2.gz XBQZJQKTWYDHAG-GFCCVEGCSA-N 1 0 337.380 -1.449 20 0 EAADRO COC[C@@H](O)C[NH2+]CCN(C)C(=O)Cn1nc2ccccn2c1=O ZINC001266796752 785160131 /nfs/dbraw/zinc/16/01/31/785160131.db2.gz XBQZJQKTWYDHAG-LBPRGKRZSA-N 1 0 337.380 -1.449 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001266799808 785160249 /nfs/dbraw/zinc/16/02/49/785160249.db2.gz FBMMYHKNLVMVCI-LLVKDONJSA-N 1 0 341.412 -1.348 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCNC1=O ZINC001266799809 785159756 /nfs/dbraw/zinc/15/97/56/785159756.db2.gz FBMMYHKNLVMVCI-NSHDSACASA-N 1 0 341.412 -1.348 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001266799823 785159707 /nfs/dbraw/zinc/15/97/07/785159707.db2.gz FLBRKFILHBCWCG-UHFFFAOYSA-N 1 0 328.373 -3.078 20 0 EAADRO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN1CCNC(=O)C1 ZINC001266799864 785160062 /nfs/dbraw/zinc/16/00/62/785160062.db2.gz GHPSPKBFUKJREQ-UHFFFAOYSA-N 1 0 335.408 -1.635 20 0 EAADRO CN(CC[NH2+]CCCS(C)(=O)=O)C(=O)CN1CCNC(=O)C1 ZINC001266799941 785159914 /nfs/dbraw/zinc/15/99/14/785159914.db2.gz IQHKTRVYFSCMES-UHFFFAOYSA-N 1 0 334.442 -2.099 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)CN1CCNC(=O)C1 ZINC001266800025 785160113 /nfs/dbraw/zinc/16/01/13/785160113.db2.gz LIUJWLIULZJILQ-UHFFFAOYSA-N 1 0 349.395 -2.105 20 0 EAADRO CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266800045 785159742 /nfs/dbraw/zinc/15/97/42/785159742.db2.gz LUMATYZTTYNYCE-NEPJUHHUSA-N 1 0 346.453 -1.117 20 0 EAADRO CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266800046 785159879 /nfs/dbraw/zinc/15/98/79/785159879.db2.gz LUMATYZTTYNYCE-NWDGAFQWSA-N 1 0 346.453 -1.117 20 0 EAADRO CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266800047 785159935 /nfs/dbraw/zinc/15/99/35/785159935.db2.gz LUMATYZTTYNYCE-RYUDHWBXSA-N 1 0 346.453 -1.117 20 0 EAADRO CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266800048 785160070 /nfs/dbraw/zinc/16/00/70/785160070.db2.gz LUMATYZTTYNYCE-VXGBXAGGSA-N 1 0 346.453 -1.117 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)CN1CCNC(=O)C1 ZINC001266800057 785159625 /nfs/dbraw/zinc/15/96/25/785159625.db2.gz LXXBXQRGWCQPTA-UHFFFAOYSA-N 1 0 349.457 -2.642 20 0 EAADRO CN(CC[NH2+]CCCN1CCCC1=O)C(=O)CN1CCNC(=O)C1 ZINC001266800069 785159739 /nfs/dbraw/zinc/15/97/39/785159739.db2.gz MEXYGSOMBTUBMK-UHFFFAOYSA-N 1 0 339.440 -1.521 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266800114 785160100 /nfs/dbraw/zinc/16/01/00/785160100.db2.gz NAPOJMCLUNLSKD-GFCCVEGCSA-N 1 0 341.412 -1.647 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266800115 785159725 /nfs/dbraw/zinc/15/97/25/785159725.db2.gz NAPOJMCLUNLSKD-LBPRGKRZSA-N 1 0 341.412 -1.647 20 0 EAADRO COc1ccc(C[NH2+]CCN(C)C(=O)CN2CCNC(=O)C2)nn1 ZINC001266800284 785159848 /nfs/dbraw/zinc/15/98/48/785159848.db2.gz RPJUBHDEUOHGGS-UHFFFAOYSA-N 1 0 336.396 -1.535 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC(C)(C)C)C(=O)CN1CCNC(=O)C1 ZINC001266800308 785160010 /nfs/dbraw/zinc/16/00/10/785160010.db2.gz SFTPAHPOBQDQKA-UHFFFAOYSA-N 1 0 341.456 -1.372 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)CN1CCNC(=O)C1 ZINC001266800390 785159866 /nfs/dbraw/zinc/15/98/66/785159866.db2.gz VLEQFYZYLNAJGH-UHFFFAOYSA-N 1 0 339.440 -1.521 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)c1c[nH]c(=O)n1C ZINC001266800445 785159713 /nfs/dbraw/zinc/15/97/13/785159713.db2.gz XDNCEZIETRNARG-UHFFFAOYSA-N 1 0 333.414 -1.273 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H](C[NH2+]CCN3CCNC3=O)C2)n1 ZINC001266800451 785160000 /nfs/dbraw/zinc/16/00/00/785160000.db2.gz ACPSMZSTZDCAHC-LLVKDONJSA-N 1 0 336.400 -1.323 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H](C[NH2+]CCN3CCNC3=O)C2)n1 ZINC001266800452 785159721 /nfs/dbraw/zinc/15/97/21/785159721.db2.gz ACPSMZSTZDCAHC-NSHDSACASA-N 1 0 336.400 -1.323 20 0 EAADRO CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001266800543 785159840 /nfs/dbraw/zinc/15/98/40/785159840.db2.gz XOIXIFHMAZWCLG-UHFFFAOYSA-N 1 0 327.429 -1.665 20 0 EAADRO CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@@H]1CCNC1=O ZINC001266800624 785160027 /nfs/dbraw/zinc/16/00/27/785160027.db2.gz YXXUQGZTHHDGDM-GXTWGEPZSA-N 1 0 343.424 -1.273 20 0 EAADRO CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@H]1CCNC1=O ZINC001266800625 785159907 /nfs/dbraw/zinc/15/99/07/785159907.db2.gz YXXUQGZTHHDGDM-JSGCOSHPSA-N 1 0 343.424 -1.273 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@H]1CCNC1=O ZINC001266800626 785160049 /nfs/dbraw/zinc/16/00/49/785160049.db2.gz YXXUQGZTHHDGDM-OCCSQVGLSA-N 1 0 343.424 -1.273 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@@H]1CCNC1=O ZINC001266800627 785160290 /nfs/dbraw/zinc/16/02/90/785160290.db2.gz YXXUQGZTHHDGDM-TZMCWYRMSA-N 1 0 343.424 -1.273 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266800654 785159963 /nfs/dbraw/zinc/15/99/63/785159963.db2.gz ZKUFRXUHPFHLCS-JTQLQIEISA-N 1 0 335.368 -1.513 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266800655 785160234 /nfs/dbraw/zinc/16/02/34/785160234.db2.gz ZKUFRXUHPFHLCS-SNVBAGLBSA-N 1 0 335.368 -1.513 20 0 EAADRO CN(CC[NH2+]CC(=O)NCc1cccnc1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266800668 785159687 /nfs/dbraw/zinc/15/96/87/785159687.db2.gz ZNCQIONGMDIEJH-CYBMUJFWSA-N 1 0 348.407 -1.231 20 0 EAADRO CN(CC[NH2+]CC(=O)NCc1cccnc1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266800670 785159697 /nfs/dbraw/zinc/15/96/97/785159697.db2.gz ZNCQIONGMDIEJH-ZDUSSCGKSA-N 1 0 348.407 -1.231 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266800692 785159922 /nfs/dbraw/zinc/15/99/22/785159922.db2.gz ZRZLVQDFHVHTGH-JTQLQIEISA-N 1 0 335.430 -2.003 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266800693 785160302 /nfs/dbraw/zinc/16/03/02/785160302.db2.gz ZRZLVQDFHVHTGH-SNVBAGLBSA-N 1 0 335.430 -2.003 20 0 EAADRO NC(=O)C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001266804495 785159939 /nfs/dbraw/zinc/15/99/39/785159939.db2.gz IWDSRHHWRQEXNA-JTQLQIEISA-N 1 0 325.369 -2.742 20 0 EAADRO NC(=O)C(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001266804496 785160148 /nfs/dbraw/zinc/16/01/48/785160148.db2.gz IWDSRHHWRQEXNA-SNVBAGLBSA-N 1 0 325.369 -2.742 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001266804873 785159783 /nfs/dbraw/zinc/15/97/83/785159783.db2.gz QBZLIDOXDYSGGS-NEPJUHHUSA-N 1 0 338.412 -1.479 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001266804874 785159901 /nfs/dbraw/zinc/15/99/01/785159901.db2.gz QBZLIDOXDYSGGS-NWDGAFQWSA-N 1 0 338.412 -1.479 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001266804875 785161624 /nfs/dbraw/zinc/16/16/24/785161624.db2.gz QBZLIDOXDYSGGS-RYUDHWBXSA-N 1 0 338.412 -1.479 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001266804876 785160819 /nfs/dbraw/zinc/16/08/19/785160819.db2.gz QBZLIDOXDYSGGS-VXGBXAGGSA-N 1 0 338.412 -1.479 20 0 EAADRO CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)c1nnn(C)n1 ZINC001266805414 785161591 /nfs/dbraw/zinc/16/15/91/785161591.db2.gz ALHOKIMHPNAIAP-JTQLQIEISA-N 1 0 330.414 -1.304 20 0 EAADRO CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)c1nnn(C)n1 ZINC001266805418 785161574 /nfs/dbraw/zinc/16/15/74/785161574.db2.gz ALHOKIMHPNAIAP-SNVBAGLBSA-N 1 0 330.414 -1.304 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001266805514 785160876 /nfs/dbraw/zinc/16/08/76/785160876.db2.gz CMRWQKJIXRMIPK-NSHDSACASA-N 1 0 334.442 -1.453 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCN(C)C(=O)c1nnn(C)n1 ZINC001266805632 785161045 /nfs/dbraw/zinc/16/10/45/785161045.db2.gz GEKGHRRIXXHNIZ-UHFFFAOYSA-N 1 0 335.372 -1.150 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)c1nnn(C)n1 ZINC001266806189 785160839 /nfs/dbraw/zinc/16/08/39/785160839.db2.gz OSNPCOFHNZXALC-JTQLQIEISA-N 1 0 325.373 -2.145 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)c1nnn(C)n1 ZINC001266806491 785160908 /nfs/dbraw/zinc/16/09/08/785160908.db2.gz WCROVZRUOSFODZ-UHFFFAOYSA-N 1 0 340.388 -1.504 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001266809080 785161595 /nfs/dbraw/zinc/16/15/95/785161595.db2.gz RYBIETVEINSCSM-GFCCVEGCSA-N 1 0 346.453 -1.452 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CCN(C)C1=O ZINC001266809082 785161209 /nfs/dbraw/zinc/16/12/09/785161209.db2.gz RYBIETVEINSCSM-LBPRGKRZSA-N 1 0 346.453 -1.452 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O ZINC001266810029 785161256 /nfs/dbraw/zinc/16/12/56/785161256.db2.gz CHECPUYIWDJVON-UHFFFAOYSA-N 1 0 331.398 -1.299 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001266810432 785160866 /nfs/dbraw/zinc/16/08/66/785160866.db2.gz MXLNUQIWZIKXFZ-INIZCTEOSA-N 1 0 340.424 -1.191 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001266810433 785161325 /nfs/dbraw/zinc/16/13/25/785161325.db2.gz MXLNUQIWZIKXFZ-MRXNPFEDSA-N 1 0 340.424 -1.191 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C[NH2+]CCO)C2)C1=O ZINC001266812010 785161034 /nfs/dbraw/zinc/16/10/34/785161034.db2.gz YSVQLHJEPIOCNG-JTQLQIEISA-N 1 0 326.353 -1.773 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C[NH2+]CCO)C2)C1=O ZINC001266812012 785161161 /nfs/dbraw/zinc/16/11/61/785161161.db2.gz YSVQLHJEPIOCNG-SNVBAGLBSA-N 1 0 326.353 -1.773 20 0 EAADRO COCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001266812022 785160887 /nfs/dbraw/zinc/16/08/87/785160887.db2.gz YUGDSZXKCDXZFT-OLZOCXBDSA-N 1 0 328.413 -1.159 20 0 EAADRO COCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001266812024 785161466 /nfs/dbraw/zinc/16/14/66/785161466.db2.gz YUGDSZXKCDXZFT-STQMWFEESA-N 1 0 328.413 -1.159 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001266813136 785160954 /nfs/dbraw/zinc/16/09/54/785160954.db2.gz FYBZNYDLINKSFC-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CCC(=O)N2C)CCO1 ZINC001266813203 785161486 /nfs/dbraw/zinc/16/14/86/785161486.db2.gz IMZLUYTYGNRPFH-CHWSQXEVSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CCC(=O)N2C)CCO1 ZINC001266813204 785161581 /nfs/dbraw/zinc/16/15/81/785161581.db2.gz IMZLUYTYGNRPFH-QWHCGFSZSA-N 1 0 340.424 -1.098 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)N1C ZINC001266813272 785160756 /nfs/dbraw/zinc/16/07/56/785160756.db2.gz KMNIZRBFQAQHIS-LLVKDONJSA-N 1 0 339.396 -1.357 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@H](C[NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001266814356 785161576 /nfs/dbraw/zinc/16/15/76/785161576.db2.gz OZHGGICVPQAKNB-LLVKDONJSA-N 1 0 349.395 -1.191 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@@H](C[NH2+]CCN3C(=O)CNC3=O)C2)n1 ZINC001266814357 785160749 /nfs/dbraw/zinc/16/07/49/785160749.db2.gz OZHGGICVPQAKNB-NSHDSACASA-N 1 0 349.395 -1.191 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(=O)[C@]1(F)CCOC1 ZINC001266815636 785161553 /nfs/dbraw/zinc/16/15/53/785161553.db2.gz ZCJOEONUMSYXEF-ABAIWWIYSA-N 1 0 345.371 -1.327 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(=O)[C@@]1(F)CCOC1 ZINC001266815640 785161477 /nfs/dbraw/zinc/16/14/77/785161477.db2.gz ZCJOEONUMSYXEF-IAQYHMDHSA-N 1 0 345.371 -1.327 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(=O)[C@]1(F)CCOC1 ZINC001266815641 785161191 /nfs/dbraw/zinc/16/11/91/785161191.db2.gz ZCJOEONUMSYXEF-NHYWBVRUSA-N 1 0 345.371 -1.327 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(=O)[C@@]1(F)CCOC1 ZINC001266815643 785160970 /nfs/dbraw/zinc/16/09/70/785160970.db2.gz ZCJOEONUMSYXEF-XHDPSFHLSA-N 1 0 345.371 -1.327 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266817288 785161120 /nfs/dbraw/zinc/16/11/20/785161120.db2.gz QBNVJLBJYZZPIE-LLVKDONJSA-N 1 0 349.395 -1.273 20 0 EAADRO O=C(Cc1nnc[nH]1)N1CCC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266817289 785161501 /nfs/dbraw/zinc/16/15/01/785161501.db2.gz QBNVJLBJYZZPIE-NSHDSACASA-N 1 0 349.395 -1.273 20 0 EAADRO CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001266817386 785160765 /nfs/dbraw/zinc/16/07/65/785160765.db2.gz IXSXFOFVRMYMHV-JTQLQIEISA-N 1 0 344.441 -1.178 20 0 EAADRO CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001266817387 785160800 /nfs/dbraw/zinc/16/08/00/785160800.db2.gz IXSXFOFVRMYMHV-SNVBAGLBSA-N 1 0 344.441 -1.178 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001266817394 785160823 /nfs/dbraw/zinc/16/08/23/785160823.db2.gz IZMNEZYLLRBPHO-LLVKDONJSA-N 1 0 337.380 -1.321 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001266817395 785160772 /nfs/dbraw/zinc/16/07/72/785160772.db2.gz IZMNEZYLLRBPHO-NSHDSACASA-N 1 0 337.380 -1.321 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1c[nH]c(=O)cn1 ZINC001266817523 785160843 /nfs/dbraw/zinc/16/08/43/785160843.db2.gz KWUBWDDLGFARDL-UHFFFAOYSA-N 1 0 336.352 -2.610 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)c1c[nH]c(=O)cn1 ZINC001266818080 785161347 /nfs/dbraw/zinc/16/13/47/785161347.db2.gz SVODTTUJDGZSSV-UHFFFAOYSA-N 1 0 331.336 -1.140 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001266821987 785161571 /nfs/dbraw/zinc/16/15/71/785161571.db2.gz HORYWELUOCYOSJ-GFCCVEGCSA-N 1 0 325.413 -1.026 20 0 EAADRO CC1CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001266821988 785161275 /nfs/dbraw/zinc/16/12/75/785161275.db2.gz HORYWELUOCYOSJ-LBPRGKRZSA-N 1 0 325.413 -1.026 20 0 EAADRO CN(CCNCc1ncnn1CC(F)F)C(=O)[C@H]1CNC(=O)N1 ZINC001266822242 785162912 /nfs/dbraw/zinc/16/29/12/785162912.db2.gz REKDQASTCZZDHC-MRVPVSSYSA-N 1 0 331.327 -1.227 20 0 EAADRO CN(CCNCc1ncnn1CC(F)F)C(=O)[C@@H]1CNC(=O)N1 ZINC001266822243 785162770 /nfs/dbraw/zinc/16/27/70/785162770.db2.gz REKDQASTCZZDHC-QMMMGPOBSA-N 1 0 331.327 -1.227 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H](C[NH2+]CCO)C2)nn1 ZINC001266824041 785163071 /nfs/dbraw/zinc/16/30/71/785163071.db2.gz ZVLMWBQAHBGOKJ-GFCCVEGCSA-N 1 0 338.412 -1.200 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H](C[NH2+]CCO)C2)nn1 ZINC001266824042 785163057 /nfs/dbraw/zinc/16/30/57/785163057.db2.gz ZVLMWBQAHBGOKJ-LBPRGKRZSA-N 1 0 338.412 -1.200 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(=O)c1n[nH]cc1F ZINC001266829782 785163075 /nfs/dbraw/zinc/16/30/75/785163075.db2.gz JODDZDPQPIWEBR-SECBINFHSA-N 1 0 341.343 -1.280 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(=O)c1n[nH]cc1F ZINC001266829783 785162062 /nfs/dbraw/zinc/16/20/62/785162062.db2.gz JODDZDPQPIWEBR-VIFPVBQESA-N 1 0 341.343 -1.280 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001266830412 785162181 /nfs/dbraw/zinc/16/21/81/785162181.db2.gz XVSNXXGZHPHPFS-LRDDRELGSA-N 1 0 340.424 -1.314 20 0 EAADRO CN(CC[NH2+]Cc1ccnn1C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001266831685 785162543 /nfs/dbraw/zinc/16/25/43/785162543.db2.gz JOIIOHFZNOQDOR-UHFFFAOYSA-N 1 0 341.397 -1.348 20 0 EAADRO CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1cccc(=O)n1C ZINC001266832023 785162090 /nfs/dbraw/zinc/16/20/90/785162090.db2.gz UFYWTADWGWBJHD-UHFFFAOYSA-N 1 0 349.391 -1.011 20 0 EAADRO O=C(Cn1cnnn1)NC[C@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC001266833760 785162620 /nfs/dbraw/zinc/16/26/20/785162620.db2.gz XNSUNSYMJQCLLZ-GFCCVEGCSA-N 1 0 349.395 -1.207 20 0 EAADRO O=C(Cn1cnnn1)NC[C@@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC001266833761 785163115 /nfs/dbraw/zinc/16/31/15/785163115.db2.gz XNSUNSYMJQCLLZ-LBPRGKRZSA-N 1 0 349.395 -1.207 20 0 EAADRO CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001266836431 785162890 /nfs/dbraw/zinc/16/28/90/785162890.db2.gz RQLUTNBUBBYNHB-MNOVXSKESA-N 1 0 331.438 -1.019 20 0 EAADRO CN(CCNCc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001266836767 785162973 /nfs/dbraw/zinc/16/29/73/785162973.db2.gz XHSCSKAVUBQPJW-BDAKNGLRSA-N 1 0 347.379 -1.262 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CCCCN1CC(=O)NC[C@H]1CCOC1 ZINC001266837647 785163099 /nfs/dbraw/zinc/16/30/99/785163099.db2.gz ULAKYNPPSLYTFP-CHWSQXEVSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CCCCN1CC(=O)NC[C@H]1CCOC1 ZINC001266837648 785162151 /nfs/dbraw/zinc/16/21/51/785162151.db2.gz ULAKYNPPSLYTFP-OLZOCXBDSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1CCCCN1CC(=O)NC[C@@H]1CCOC1 ZINC001266837649 785162475 /nfs/dbraw/zinc/16/24/75/785162475.db2.gz ULAKYNPPSLYTFP-QWHCGFSZSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1CCCCN1CC(=O)NC[C@@H]1CCOC1 ZINC001266837650 785162429 /nfs/dbraw/zinc/16/24/29/785162429.db2.gz ULAKYNPPSLYTFP-STQMWFEESA-N 1 0 340.424 -1.015 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001266845643 785162461 /nfs/dbraw/zinc/16/24/61/785162461.db2.gz HBEXEQOGCKFOBS-LLVKDONJSA-N 1 0 336.458 -1.161 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001266845644 785162825 /nfs/dbraw/zinc/16/28/25/785162825.db2.gz HBEXEQOGCKFOBS-NSHDSACASA-N 1 0 336.458 -1.161 20 0 EAADRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)NS(C)(=O)=O)nn1 ZINC001266845654 785162957 /nfs/dbraw/zinc/16/29/57/785162957.db2.gz HOLHZNAMNHRXGT-JTQLQIEISA-N 1 0 345.425 -1.029 20 0 EAADRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O)nn1 ZINC001266845655 785162870 /nfs/dbraw/zinc/16/28/70/785162870.db2.gz HOLHZNAMNHRXGT-SNVBAGLBSA-N 1 0 345.425 -1.029 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)Cc1cnc[nH]1)C(=O)N(C)C ZINC001266846910 785162840 /nfs/dbraw/zinc/16/28/40/785162840.db2.gz MBESDSCBYWQPBD-LLVKDONJSA-N 1 0 338.412 -1.407 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)Cc1cnc[nH]1)C(=O)N(C)C ZINC001266846911 785162605 /nfs/dbraw/zinc/16/26/05/785162605.db2.gz MBESDSCBYWQPBD-NSHDSACASA-N 1 0 338.412 -1.407 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)Cn1cccn1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266847934 785162933 /nfs/dbraw/zinc/16/29/33/785162933.db2.gz DXVNXEZQNZATPX-MNOVXSKESA-N 1 0 338.368 -2.110 20 0 EAADRO CN(CC[NH2+]C[C@H](O)Cn1cccn1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266847935 785163001 /nfs/dbraw/zinc/16/30/01/785163001.db2.gz DXVNXEZQNZATPX-QWRGUYRKSA-N 1 0 338.368 -2.110 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266848055 785162665 /nfs/dbraw/zinc/16/26/65/785162665.db2.gz ILNWNNQGNRUDTN-SECBINFHSA-N 1 0 349.413 -2.764 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001266848056 785162196 /nfs/dbraw/zinc/16/21/96/785162196.db2.gz ILNWNNQGNRUDTN-VIFPVBQESA-N 1 0 349.413 -2.764 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266848094 785162355 /nfs/dbraw/zinc/16/23/55/785162355.db2.gz JTTDMFPNZFIUGB-SFYZADRCSA-N 1 0 325.325 -2.562 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266848095 785162651 /nfs/dbraw/zinc/16/26/51/785162651.db2.gz JTTDMFPNZFIUGB-YUMQZZPRSA-N 1 0 325.325 -2.562 20 0 EAADRO Cc1cc(C[NH2+]CCN(C)C(=O)CNS(=O)(=O)N(C)C)on1 ZINC001266848195 785162448 /nfs/dbraw/zinc/16/24/48/785162448.db2.gz NLIVIKHEXHRXCT-UHFFFAOYSA-N 1 0 333.414 -1.073 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266848383 785163876 /nfs/dbraw/zinc/16/38/76/785163876.db2.gz UBJZJXABMQBNMY-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO COc1nccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001266848576 785163827 /nfs/dbraw/zinc/16/38/27/785163827.db2.gz WZHAITQCXKLUHC-JTQLQIEISA-N 1 0 336.352 -1.369 20 0 EAADRO Cc1ncoc1C[NH2+]CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001266848597 785163546 /nfs/dbraw/zinc/16/35/46/785163546.db2.gz XOATTXCBAGRASV-UHFFFAOYSA-N 1 0 333.414 -1.073 20 0 EAADRO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266851768 785163700 /nfs/dbraw/zinc/16/37/00/785163700.db2.gz CXUJXMPHNFNVCN-SECBINFHSA-N 1 0 339.352 -2.314 20 0 EAADRO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266851769 785163683 /nfs/dbraw/zinc/16/36/83/785163683.db2.gz CXUJXMPHNFNVCN-VIFPVBQESA-N 1 0 339.352 -2.314 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CC1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001266852020 785164002 /nfs/dbraw/zinc/16/40/02/785164002.db2.gz HYOXKLJWEVRSQN-UHFFFAOYSA-N 1 0 337.380 -1.976 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266852115 785163803 /nfs/dbraw/zinc/16/38/03/785163803.db2.gz JUFWKWFBWMCIKI-UHFFFAOYSA-N 1 0 339.352 -2.313 20 0 EAADRO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266852308 785163772 /nfs/dbraw/zinc/16/37/72/785163772.db2.gz MLPWKRXSFMDPJD-SECBINFHSA-N 1 0 339.352 -2.266 20 0 EAADRO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266852310 785163842 /nfs/dbraw/zinc/16/38/42/785163842.db2.gz MLPWKRXSFMDPJD-VIFPVBQESA-N 1 0 339.352 -2.266 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001266852505 785164019 /nfs/dbraw/zinc/16/40/19/785164019.db2.gz QKSCOTMDLZYBTE-UHFFFAOYSA-N 1 0 349.395 -1.536 20 0 EAADRO CN(CC[NH2+]CCN1CCNC1=O)C(=O)C(C)(C)S(C)(=O)=O ZINC001266852561 785163734 /nfs/dbraw/zinc/16/37/34/785163734.db2.gz RJYDMLRUESRXCF-UHFFFAOYSA-N 1 0 334.442 -1.117 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC001266853623 785164569 /nfs/dbraw/zinc/16/45/69/785164569.db2.gz PIXCETHISCOOGX-CHWSQXEVSA-N 1 0 343.424 -1.001 20 0 EAADRO NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC001266853624 785164589 /nfs/dbraw/zinc/16/45/89/785164589.db2.gz PIXCETHISCOOGX-OLZOCXBDSA-N 1 0 343.424 -1.001 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC001266853625 785164704 /nfs/dbraw/zinc/16/47/04/785164704.db2.gz PIXCETHISCOOGX-QWHCGFSZSA-N 1 0 343.424 -1.001 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC001266853626 785164784 /nfs/dbraw/zinc/16/47/84/785164784.db2.gz PIXCETHISCOOGX-STQMWFEESA-N 1 0 343.424 -1.001 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1nccnc1C)C(N)=O ZINC001266854309 785164435 /nfs/dbraw/zinc/16/44/35/785164435.db2.gz JGUASPUQRQDDHQ-LBPRGKRZSA-N 1 0 336.396 -1.287 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@H]1CCCC[N@H+]1CCOCCO ZINC001266858320 785164770 /nfs/dbraw/zinc/16/47/70/785164770.db2.gz DWJVSLSWQABWDK-GFCCVEGCSA-N 1 0 342.396 -1.482 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCCC[N@H+]1CCOCCO ZINC001266858322 785164505 /nfs/dbraw/zinc/16/45/05/785164505.db2.gz DWJVSLSWQABWDK-LBPRGKRZSA-N 1 0 342.396 -1.482 20 0 EAADRO CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001266858788 785164555 /nfs/dbraw/zinc/16/45/55/785164555.db2.gz RKQFJJWMYNSZNB-GFCCVEGCSA-N 1 0 339.396 -1.355 20 0 EAADRO CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001266858790 785165060 /nfs/dbraw/zinc/16/50/60/785165060.db2.gz RKQFJJWMYNSZNB-LBPRGKRZSA-N 1 0 339.396 -1.355 20 0 EAADRO NC(=O)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001266863000 785166418 /nfs/dbraw/zinc/16/64/18/785166418.db2.gz GSPAKCITMPQLGS-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001266863002 785165477 /nfs/dbraw/zinc/16/54/77/785165477.db2.gz GSPAKCITMPQLGS-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001266863107 785166379 /nfs/dbraw/zinc/16/63/79/785166379.db2.gz HJLGXQWLJUMKPX-LLVKDONJSA-N 1 0 339.396 -1.226 20 0 EAADRO NC(=O)CC(=O)N1CCCC[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001266863113 785166111 /nfs/dbraw/zinc/16/61/11/785166111.db2.gz HJLGXQWLJUMKPX-NSHDSACASA-N 1 0 339.396 -1.226 20 0 EAADRO NC(=O)CC(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001266863500 785165515 /nfs/dbraw/zinc/16/55/15/785165515.db2.gz KGCLVUZQSKIIIW-OLZOCXBDSA-N 1 0 340.424 -1.184 20 0 EAADRO NC(=O)CC(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001266863501 785165859 /nfs/dbraw/zinc/16/58/59/785165859.db2.gz KGCLVUZQSKIIIW-STQMWFEESA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001266866154 785166525 /nfs/dbraw/zinc/16/65/25/785166525.db2.gz JJSKKPRBVVRFOD-QWRGUYRKSA-N 1 0 349.457 -1.437 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001266866155 785165731 /nfs/dbraw/zinc/16/57/31/785165731.db2.gz JJSKKPRBVVRFOD-WDEREUQCSA-N 1 0 349.457 -1.437 20 0 EAADRO Cn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)nn1 ZINC001266866698 785166485 /nfs/dbraw/zinc/16/64/85/785166485.db2.gz QDXKJRLPMCUYIT-LLVKDONJSA-N 1 0 344.441 -1.051 20 0 EAADRO Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]CCNS(C)(=O)=O)nn1 ZINC001266866699 785166078 /nfs/dbraw/zinc/16/60/78/785166078.db2.gz QDXKJRLPMCUYIT-NSHDSACASA-N 1 0 344.441 -1.051 20 0 EAADRO COCC[NH2+]C[C@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O ZINC001266871578 785166147 /nfs/dbraw/zinc/16/61/47/785166147.db2.gz CBFJYEUDDRFYJY-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO COCC[NH2+]C[C@@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O ZINC001266871579 785166048 /nfs/dbraw/zinc/16/60/48/785166048.db2.gz CBFJYEUDDRFYJY-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266872066 785165682 /nfs/dbraw/zinc/16/56/82/785165682.db2.gz HKYNJPAUMMUDDB-NEPJUHHUSA-N 1 0 347.437 -1.483 20 0 EAADRO COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266872067 785165772 /nfs/dbraw/zinc/16/57/72/785165772.db2.gz HKYNJPAUMMUDDB-RYUDHWBXSA-N 1 0 347.437 -1.483 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@@H]2C[NH2+]CCn2cncn2)c1=O ZINC001266873778 785166609 /nfs/dbraw/zinc/16/66/09/785166609.db2.gz YKAOAPMYOISSLZ-CYBMUJFWSA-N 1 0 348.411 -1.156 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@H]2C[NH2+]CCn2cncn2)c1=O ZINC001266873779 785166157 /nfs/dbraw/zinc/16/61/57/785166157.db2.gz YKAOAPMYOISSLZ-ZDUSSCGKSA-N 1 0 348.411 -1.156 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001266875825 785165547 /nfs/dbraw/zinc/16/55/47/785165547.db2.gz ATIHQOSYPMITJV-NEPJUHHUSA-N 1 0 328.413 -1.016 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(N)=O ZINC001266875826 785165778 /nfs/dbraw/zinc/16/57/78/785165778.db2.gz ATIHQOSYPMITJV-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001266875827 785166217 /nfs/dbraw/zinc/16/62/17/785166217.db2.gz ATIHQOSYPMITJV-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO COCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(N)=O ZINC001266875828 785165735 /nfs/dbraw/zinc/16/57/35/785165735.db2.gz ATIHQOSYPMITJV-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(N)=O ZINC001266876516 785167866 /nfs/dbraw/zinc/16/78/66/785167866.db2.gz NDVOZEMUQKFACA-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001266876527 785167826 /nfs/dbraw/zinc/16/78/26/785167826.db2.gz NDVOZEMUQKFACA-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(N)=O ZINC001266876528 785167966 /nfs/dbraw/zinc/16/79/66/785167966.db2.gz NDVOZEMUQKFACA-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001266876529 785167536 /nfs/dbraw/zinc/16/75/36/785167536.db2.gz NDVOZEMUQKFACA-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001266877441 785166649 /nfs/dbraw/zinc/16/66/49/785166649.db2.gz SVJKSNQAWNZDPC-GHMZBOCLSA-N 1 0 340.380 -2.048 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001266877444 785166503 /nfs/dbraw/zinc/16/65/03/785166503.db2.gz SVJKSNQAWNZDPC-MNOVXSKESA-N 1 0 340.380 -2.048 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001266877445 785165922 /nfs/dbraw/zinc/16/59/22/785165922.db2.gz SVJKSNQAWNZDPC-QWRGUYRKSA-N 1 0 340.380 -2.048 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001266877447 785167114 /nfs/dbraw/zinc/16/71/14/785167114.db2.gz SVJKSNQAWNZDPC-WDEREUQCSA-N 1 0 340.380 -2.048 20 0 EAADRO CNC(=O)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001266881195 785167141 /nfs/dbraw/zinc/16/71/41/785167141.db2.gz PCXOXIGOMRLNKI-JTQLQIEISA-N 1 0 339.396 -1.322 20 0 EAADRO CNC(=O)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001266881196 785167285 /nfs/dbraw/zinc/16/72/85/785167285.db2.gz PCXOXIGOMRLNKI-SNVBAGLBSA-N 1 0 339.396 -1.322 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)CNC(C)=O ZINC001266882642 785167684 /nfs/dbraw/zinc/16/76/84/785167684.db2.gz MLQULIPXPUVNRK-UHFFFAOYSA-N 1 0 329.401 -1.348 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001266884973 785167956 /nfs/dbraw/zinc/16/79/56/785167956.db2.gz UWICEVSONVGWDA-CYBMUJFWSA-N 1 0 333.454 -1.320 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N1CCCC[C@H]1C[NH2+]CCO ZINC001266884981 785168078 /nfs/dbraw/zinc/16/80/78/785168078.db2.gz UWICEVSONVGWDA-ZDUSSCGKSA-N 1 0 333.454 -1.320 20 0 EAADRO NC(=O)NCCC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266885856 785167649 /nfs/dbraw/zinc/16/76/49/785167649.db2.gz LXWSNEQRAJMSMO-GHMZBOCLSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NCCC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001266885857 785167860 /nfs/dbraw/zinc/16/78/60/785167860.db2.gz LXWSNEQRAJMSMO-MNOVXSKESA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NCCC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001266885858 785167852 /nfs/dbraw/zinc/16/78/52/785167852.db2.gz LXWSNEQRAJMSMO-QWRGUYRKSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NCCC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266885859 785167892 /nfs/dbraw/zinc/16/78/92/785167892.db2.gz LXWSNEQRAJMSMO-WDEREUQCSA-N 1 0 339.396 -1.179 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C1(S(C)(=O)=O)CCCC1 ZINC001266888259 785167612 /nfs/dbraw/zinc/16/76/12/785167612.db2.gz NWOJXGYLJGDZJN-UHFFFAOYSA-N 1 0 348.425 -1.413 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001266888308 785167299 /nfs/dbraw/zinc/16/72/99/785167299.db2.gz OSBBJJJMMLFVEQ-MRVPVSSYSA-N 1 0 341.368 -2.069 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001266888316 785167800 /nfs/dbraw/zinc/16/78/00/785167800.db2.gz OSBBJJJMMLFVEQ-QMMMGPOBSA-N 1 0 341.368 -2.069 20 0 EAADRO C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001266889337 785168172 /nfs/dbraw/zinc/16/81/72/785168172.db2.gz ATETZVFPCOBHDO-GHMZBOCLSA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@@H](NC(=O)CC(N)=O)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001266889338 785168090 /nfs/dbraw/zinc/16/80/90/785168090.db2.gz ATETZVFPCOBHDO-MNOVXSKESA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@H](NC(=O)CC(N)=O)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001266889339 785167264 /nfs/dbraw/zinc/16/72/64/785167264.db2.gz ATETZVFPCOBHDO-QWRGUYRKSA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@H](NC(=O)CC(N)=O)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001266889340 785168150 /nfs/dbraw/zinc/16/81/50/785168150.db2.gz ATETZVFPCOBHDO-WDEREUQCSA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@@H](NC(=O)C(N)=O)[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001266894926 785168066 /nfs/dbraw/zinc/16/80/66/785168066.db2.gz KXVIWGNKJYCWQR-GHMZBOCLSA-N 1 0 339.396 -2.353 20 0 EAADRO C[C@@H](NC(=O)C(N)=O)[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001266894928 785167668 /nfs/dbraw/zinc/16/76/68/785167668.db2.gz KXVIWGNKJYCWQR-MNOVXSKESA-N 1 0 339.396 -2.353 20 0 EAADRO C[C@H](NC(=O)C(N)=O)[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001266894929 785167188 /nfs/dbraw/zinc/16/71/88/785167188.db2.gz KXVIWGNKJYCWQR-QWRGUYRKSA-N 1 0 339.396 -2.353 20 0 EAADRO C[C@H](NC(=O)C(N)=O)[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001266894930 785167085 /nfs/dbraw/zinc/16/70/85/785167085.db2.gz KXVIWGNKJYCWQR-WDEREUQCSA-N 1 0 339.396 -2.353 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)COc1cccnc1 ZINC001266897019 785167482 /nfs/dbraw/zinc/16/74/82/785167482.db2.gz CAQFTGFYASEHDY-UHFFFAOYSA-N 1 0 349.391 -1.533 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001266897227 785167774 /nfs/dbraw/zinc/16/77/74/785167774.db2.gz HCRLSPIDGMAFJP-UHFFFAOYSA-N 1 0 327.385 -1.499 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]CCN1CCCS1(=O)=O ZINC001266897787 785167990 /nfs/dbraw/zinc/16/79/90/785167990.db2.gz RMMSKPOSJPWQME-UHFFFAOYSA-N 1 0 348.469 -1.015 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CCN1CCOCC1 ZINC001266898068 785167976 /nfs/dbraw/zinc/16/79/76/785167976.db2.gz YMSWHIGUMFAMIZ-GFCCVEGCSA-N 1 0 326.397 -1.438 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CCN1CCOCC1 ZINC001266898165 785167725 /nfs/dbraw/zinc/16/77/25/785167725.db2.gz YMSWHIGUMFAMIZ-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001266898168 785167162 /nfs/dbraw/zinc/16/71/62/785167162.db2.gz YRPFXJYQXCUDOI-UHFFFAOYSA-N 1 0 341.412 -2.093 20 0 EAADRO O=C(CO[C@H]1CCOC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266901144 785168023 /nfs/dbraw/zinc/16/80/23/785168023.db2.gz YJCQNIXMQCBZEE-HHHUMZEGSA-N 1 0 337.376 -1.357 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266901145 785167836 /nfs/dbraw/zinc/16/78/36/785167836.db2.gz YJCQNIXMQCBZEE-KLFGWDPYSA-N 1 0 337.376 -1.357 20 0 EAADRO O=C(CO[C@@H]1CCOC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266901146 785167813 /nfs/dbraw/zinc/16/78/13/785167813.db2.gz YJCQNIXMQCBZEE-OVKLUEDNSA-N 1 0 337.376 -1.357 20 0 EAADRO O=C(CO[C@H]1CCOC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266901147 785167043 /nfs/dbraw/zinc/16/70/43/785167043.db2.gz YJCQNIXMQCBZEE-QKZHPOIUSA-N 1 0 337.376 -1.357 20 0 EAADRO CC[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)COC)C[C@H]32)CCNC1=O ZINC001266901272 785168053 /nfs/dbraw/zinc/16/80/53/785168053.db2.gz WDSYAJJCWHRGSR-WSGDXGOYSA-N 1 0 325.409 -1.044 20 0 EAADRO CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)COC)C[C@H]32)CCNC1=O ZINC001266901273 785168122 /nfs/dbraw/zinc/16/81/22/785168122.db2.gz WDSYAJJCWHRGSR-XRMRDTNMSA-N 1 0 325.409 -1.044 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001266903179 785169236 /nfs/dbraw/zinc/16/92/36/785169236.db2.gz DJGZZIFQBLZMRR-BNDIWNMDSA-N 1 0 342.396 -2.262 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001266903180 785169712 /nfs/dbraw/zinc/16/97/12/785169712.db2.gz DJGZZIFQBLZMRR-IEECTRCBSA-N 1 0 342.396 -2.262 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001266903181 785169525 /nfs/dbraw/zinc/16/95/25/785169525.db2.gz DJGZZIFQBLZMRR-KIJLLGNVSA-N 1 0 342.396 -2.262 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001266903182 785169550 /nfs/dbraw/zinc/16/95/50/785169550.db2.gz DJGZZIFQBLZMRR-LBELIVKGSA-N 1 0 342.396 -2.262 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)CCc1ncccn1 ZINC001266903909 785169864 /nfs/dbraw/zinc/16/98/64/785169864.db2.gz FQORVJRDBRBHHW-UHFFFAOYSA-N 1 0 348.407 -1.584 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)Cc1cnn(C)c1)C(=O)c1nc[nH]n1 ZINC001266903969 785169797 /nfs/dbraw/zinc/16/97/97/785169797.db2.gz HTZYDDRRIUHBDC-UHFFFAOYSA-N 1 0 334.384 -1.142 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC(=O)N1CCCC1)C(=O)c1ccncn1 ZINC001266904009 785169139 /nfs/dbraw/zinc/16/91/39/785169139.db2.gz JJTHTSUDBRFSPJ-UHFFFAOYSA-N 1 0 348.407 -1.123 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)c1nc[nH]n1 ZINC001266904182 785169161 /nfs/dbraw/zinc/16/91/61/785169161.db2.gz RGUVVGNBAYPSAC-UHFFFAOYSA-N 1 0 337.384 -1.810 20 0 EAADRO CC(=O)NCC(=O)NC1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001266906276 785169891 /nfs/dbraw/zinc/16/98/91/785169891.db2.gz YUXNWLDVCFPXMK-UHFFFAOYSA-N 1 0 334.442 -1.311 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCN(C)C(=O)c2ncccn2)CC1 ZINC001266906717 785169781 /nfs/dbraw/zinc/16/97/81/785169781.db2.gz QSVLOMSPTTVTSH-UHFFFAOYSA-N 1 0 348.407 -1.171 20 0 EAADRO NC(=O)CC(=O)NC1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001266907861 785169231 /nfs/dbraw/zinc/16/92/31/785169231.db2.gz KSASMAKJJHGPJE-UHFFFAOYSA-N 1 0 326.397 -1.262 20 0 EAADRO CNC(=O)NCC(=O)NC1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001266908958 785169045 /nfs/dbraw/zinc/16/90/45/785169045.db2.gz BCABVIITSIFZOC-UHFFFAOYSA-N 1 0 349.457 -1.518 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC(F)(F)F)C(=O)CCn1cnnn1 ZINC001266911420 785169271 /nfs/dbraw/zinc/16/92/71/785169271.db2.gz MYNNXDIOHDLBPF-UHFFFAOYSA-N 1 0 337.306 -1.210 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001266913678 785169101 /nfs/dbraw/zinc/16/91/01/785169101.db2.gz OKPFRBJPOAVYPL-ILDUYXDCSA-N 1 0 347.441 -1.766 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001266913679 785169394 /nfs/dbraw/zinc/16/93/94/785169394.db2.gz OKPFRBJPOAVYPL-VQXHTEKXSA-N 1 0 347.441 -1.766 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCC(NC(=O)C2(C(N)=O)CC2)CC1 ZINC001266913891 785169106 /nfs/dbraw/zinc/16/91/06/785169106.db2.gz SHPGGSYBTGBOBH-UHFFFAOYSA-N 1 0 346.453 -1.182 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001266915987 785168980 /nfs/dbraw/zinc/16/89/80/785168980.db2.gz IIFCVHINSTXKTG-KPPDAEKUSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001266915988 785169214 /nfs/dbraw/zinc/16/92/14/785169214.db2.gz IIFCVHINSTXKTG-WHXUTIOJSA-N 1 0 339.396 -1.310 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1CCC(NC(=O)Cn2cncn2)CC1 ZINC001266916574 785168783 /nfs/dbraw/zinc/16/87/83/785168783.db2.gz WFMMZTLRBNWCRJ-UHFFFAOYSA-N 1 0 344.441 -1.156 20 0 EAADRO COC[C@H](O)C[NH2+]C1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001266916657 785168952 /nfs/dbraw/zinc/16/89/52/785168952.db2.gz ZUDHOYCCOUYTEM-HTAVTVPLSA-N 1 0 342.396 -1.438 20 0 EAADRO C[C@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001266922526 785169251 /nfs/dbraw/zinc/16/92/51/785169251.db2.gz PBJSFVYOHYSPJE-LLVKDONJSA-N 1 0 347.375 -1.375 20 0 EAADRO C[C@@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001266922527 785169218 /nfs/dbraw/zinc/16/92/18/785169218.db2.gz PBJSFVYOHYSPJE-NSHDSACASA-N 1 0 347.375 -1.375 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266922756 785169739 /nfs/dbraw/zinc/16/97/39/785169739.db2.gz SZPRSVBAYKOUHB-NXEZZACHSA-N 1 0 341.412 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ZINC001266925216 785169169 /nfs/dbraw/zinc/16/91/69/785169169.db2.gz FJOKTWZBKZSWPM-IUCAKERBSA-N 1 0 341.393 -1.244 20 0 EAADRO C[C@H](CNC(=O)c1cnsn1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001266925218 785168875 /nfs/dbraw/zinc/16/88/75/785168875.db2.gz FJOKTWZBKZSWPM-RKDXNWHRSA-N 1 0 341.393 -1.244 20 0 EAADRO CN(CC[NH2+]CCN1CCNC1=O)C(=O)CCn1cnccc1=O ZINC001266927400 785169898 /nfs/dbraw/zinc/16/98/98/785169898.db2.gz AWQCIMRLFIIQKA-UHFFFAOYSA-N 1 0 336.396 -1.293 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)CCn1cnccc1=O ZINC001266927434 785168735 /nfs/dbraw/zinc/16/87/35/785168735.db2.gz BONJOGQIGLWCSF-UHFFFAOYSA-N 1 0 349.391 -1.170 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](C)[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[nH]n1 ZINC001266927656 785168718 /nfs/dbraw/zinc/16/87/18/785168718.db2.gz XUTDZNRLSZSNKP-GHMZBOCLSA-N 1 0 337.380 -1.064 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](C)[NH2+]C[C@H](O)CN2C(=O)CCC2=O)[nH]n1 ZINC001266927658 785169359 /nfs/dbraw/zinc/16/93/59/785169359.db2.gz XUTDZNRLSZSNKP-MNOVXSKESA-N 1 0 337.380 -1.064 20 0 EAADRO Cc1cc(C(=O)NC[C@H](C)[NH2+]C[C@H](O)CN2C(=O)CCC2=O)[nH]n1 ZINC001266927659 785169806 /nfs/dbraw/zinc/16/98/06/785169806.db2.gz XUTDZNRLSZSNKP-QWRGUYRKSA-N 1 0 337.380 -1.064 20 0 EAADRO Cc1cc(C(=O)NC[C@H](C)[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[nH]n1 ZINC001266927660 785169817 /nfs/dbraw/zinc/16/98/17/785169817.db2.gz XUTDZNRLSZSNKP-WDEREUQCSA-N 1 0 337.380 -1.064 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C(=O)NCC2CC2)CCO1 ZINC001266928363 785169294 /nfs/dbraw/zinc/16/92/94/785169294.db2.gz HNQLSPQSEWHTFZ-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C(=O)NCC2CC2)CCO1 ZINC001266928365 785169199 /nfs/dbraw/zinc/16/91/99/785169199.db2.gz HNQLSPQSEWHTFZ-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)C(=O)NCC1CC1 ZINC001266929011 785169083 /nfs/dbraw/zinc/16/90/83/785169083.db2.gz MXCIGMPWKJWXKC-CYBMUJFWSA-N 1 0 340.424 -1.287 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)C(=O)NCC1CC1 ZINC001266929012 785169206 /nfs/dbraw/zinc/16/92/06/785169206.db2.gz MXCIGMPWKJWXKC-ZDUSSCGKSA-N 1 0 340.424 -1.287 20 0 EAADRO C[C@@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC001266929116 785169093 /nfs/dbraw/zinc/16/90/93/785169093.db2.gz AZSQCWGKWCKWGB-JTQLQIEISA-N 1 0 347.375 -1.059 20 0 EAADRO C[C@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC001266929119 785169340 /nfs/dbraw/zinc/16/93/40/785169340.db2.gz AZSQCWGKWCKWGB-SNVBAGLBSA-N 1 0 347.375 -1.059 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930732 785169327 /nfs/dbraw/zinc/16/93/27/785169327.db2.gz ZXFINNXBFLYHAO-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930733 785169056 /nfs/dbraw/zinc/16/90/56/785169056.db2.gz ZXFINNXBFLYHAO-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930734 785169849 /nfs/dbraw/zinc/16/98/49/785169849.db2.gz ZXFINNXBFLYHAO-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930735 785169622 /nfs/dbraw/zinc/16/96/22/785169622.db2.gz ZXFINNXBFLYHAO-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001266933180 785169482 /nfs/dbraw/zinc/16/94/82/785169482.db2.gz KWCPCAPHAQHBPD-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001266933181 785169261 /nfs/dbraw/zinc/16/92/61/785169261.db2.gz KWCPCAPHAQHBPD-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001266934231 785171553 /nfs/dbraw/zinc/17/15/53/785171553.db2.gz UOTSMBRTAHUKMC-JTQLQIEISA-N 1 0 339.396 -1.499 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001266934233 785171204 /nfs/dbraw/zinc/17/12/04/785171204.db2.gz UOTSMBRTAHUKMC-SNVBAGLBSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](CNC(=O)c1ncn(C)n1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266934852 785170990 /nfs/dbraw/zinc/17/09/90/785170990.db2.gz AWAJNKWENFHYEU-SECBINFHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](CNC(=O)c1ncn(C)n1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266934853 785170571 /nfs/dbraw/zinc/17/05/71/785170571.db2.gz AWAJNKWENFHYEU-VIFPVBQESA-N 1 0 337.384 -1.147 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)o1 ZINC001266935403 785171325 /nfs/dbraw/zinc/17/13/25/785171325.db2.gz KKDMDYZNPRMSTO-SECBINFHSA-N 1 0 338.368 -1.043 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H](C)[NH2+]CCCN2C(=O)CNC2=O)o1 ZINC001266935405 785171666 /nfs/dbraw/zinc/17/16/66/785171666.db2.gz KKDMDYZNPRMSTO-VIFPVBQESA-N 1 0 338.368 -1.043 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001266935654 785170799 /nfs/dbraw/zinc/17/07/99/785170799.db2.gz JCPIVVADXABXSF-JTQLQIEISA-N 1 0 345.421 -1.193 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001266935655 785170927 /nfs/dbraw/zinc/17/09/27/785170927.db2.gz JCPIVVADXABXSF-SNVBAGLBSA-N 1 0 345.421 -1.193 20 0 EAADRO CCn1nncc1C(=O)NC[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266935742 785170770 /nfs/dbraw/zinc/17/07/70/785170770.db2.gz NKNXPPMOIUZXNK-JTQLQIEISA-N 1 0 337.384 -1.052 20 0 EAADRO CCn1nncc1C(=O)NC[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266935743 785171303 /nfs/dbraw/zinc/17/13/03/785171303.db2.gz NKNXPPMOIUZXNK-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266940786 785170855 /nfs/dbraw/zinc/17/08/55/785170855.db2.gz KUSYNEXUCWBNBS-SECBINFHSA-N 1 0 346.409 -1.933 20 0 EAADRO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266940787 785171194 /nfs/dbraw/zinc/17/11/94/785171194.db2.gz KUSYNEXUCWBNBS-VIFPVBQESA-N 1 0 346.409 -1.933 20 0 EAADRO C[C@H](CNC(=O)c1cccn2nnnc12)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266941005 785170506 /nfs/dbraw/zinc/17/05/06/785170506.db2.gz AYPNRBCORCCYRT-PSASIEDQSA-N 1 0 331.336 -1.363 20 0 EAADRO C[C@H](CNC(=O)c1cccn2nnnc12)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266941006 785171407 /nfs/dbraw/zinc/17/14/07/785171407.db2.gz AYPNRBCORCCYRT-SCZZXKLOSA-N 1 0 331.336 -1.363 20 0 EAADRO C[C@@H](CNC(=O)c1cccn2nnnc12)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266941007 785170917 /nfs/dbraw/zinc/17/09/17/785170917.db2.gz AYPNRBCORCCYRT-WCBMZHEXSA-N 1 0 331.336 -1.363 20 0 EAADRO C[C@@H](CNC(=O)c1cccn2nnnc12)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266941008 785171049 /nfs/dbraw/zinc/17/10/49/785171049.db2.gz AYPNRBCORCCYRT-WPRPVWTQSA-N 1 0 331.336 -1.363 20 0 EAADRO C[C@H](CNC(=O)[C@@H](C)N1C(=O)CCC1=O)[NH2+]CCNS(C)(=O)=O ZINC001266941290 785171363 /nfs/dbraw/zinc/17/13/63/785171363.db2.gz CIZGFEWPTOKLSY-NXEZZACHSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@@H](CNC(=O)[C@H](C)N1C(=O)CCC1=O)[NH2+]CCNS(C)(=O)=O ZINC001266941292 785170827 /nfs/dbraw/zinc/17/08/27/785170827.db2.gz CIZGFEWPTOKLSY-UWVGGRQHSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@H](C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O)N1C(=O)CCC1=O ZINC001266941294 785171062 /nfs/dbraw/zinc/17/10/62/785171062.db2.gz CIZGFEWPTOKLSY-VHSXEESVSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@H](CNC(=O)[C@H](C)N1C(=O)CCC1=O)[NH2+]CCNS(C)(=O)=O ZINC001266941296 785170860 /nfs/dbraw/zinc/17/08/60/785170860.db2.gz CIZGFEWPTOKLSY-ZJUUUORDSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[NH2+]CCC[C@H](C)O ZINC001266941503 785170736 /nfs/dbraw/zinc/17/07/36/785170736.db2.gz DYXVMWUDOXPSBN-NEPJUHHUSA-N 1 0 326.397 -1.198 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001266941504 785170824 /nfs/dbraw/zinc/17/08/24/785170824.db2.gz DYXVMWUDOXPSBN-NWDGAFQWSA-N 1 0 326.397 -1.198 20 0 EAADRO C[C@H](O)CCC[NH2+][C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001266941506 785170729 /nfs/dbraw/zinc/17/07/29/785170729.db2.gz DYXVMWUDOXPSBN-RYUDHWBXSA-N 1 0 326.397 -1.198 20 0 EAADRO C[C@@H](O)CCC[NH2+][C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001266941508 785171043 /nfs/dbraw/zinc/17/10/43/785171043.db2.gz DYXVMWUDOXPSBN-VXGBXAGGSA-N 1 0 326.397 -1.198 20 0 EAADRO C[C@@H](CNC(=O)c1ccnc2ccnn21)[NH2+]CCNS(C)(=O)=O ZINC001266942327 785171174 /nfs/dbraw/zinc/17/11/74/785171174.db2.gz LVHGJYGNQQWHAI-JTQLQIEISA-N 1 0 340.409 -1.014 20 0 EAADRO C[C@H](CNC(=O)c1ccnc2ccnn21)[NH2+]CCNS(C)(=O)=O ZINC001266942328 785170837 /nfs/dbraw/zinc/17/08/37/785170837.db2.gz LVHGJYGNQQWHAI-SNVBAGLBSA-N 1 0 340.409 -1.014 20 0 EAADRO C[C@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001266944134 785171623 /nfs/dbraw/zinc/17/16/23/785171623.db2.gz GYZBTHVIHLXIKJ-NXEZZACHSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001266944135 785171493 /nfs/dbraw/zinc/17/14/93/785171493.db2.gz GYZBTHVIHLXIKJ-UWVGGRQHSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001266944136 785171594 /nfs/dbraw/zinc/17/15/94/785171594.db2.gz GYZBTHVIHLXIKJ-VHSXEESVSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001266944137 785171614 /nfs/dbraw/zinc/17/16/14/785171614.db2.gz GYZBTHVIHLXIKJ-ZJUUUORDSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]CC(=O)N(C)CC1CC1 ZINC001266945128 785170868 /nfs/dbraw/zinc/17/08/68/785170868.db2.gz YYLBHTNEJUDABC-KOLCDFICSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]CC(=O)N(C)CC1CC1 ZINC001266945129 785170908 /nfs/dbraw/zinc/17/09/08/785170908.db2.gz YYLBHTNEJUDABC-ONGXEEELSA-N 1 0 339.396 -1.453 20 0 EAADRO COc1ncc(C(=O)N(C)CC[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001266945640 785170925 /nfs/dbraw/zinc/17/09/25/785170925.db2.gz TZHXECLRFNVOON-UHFFFAOYSA-N 1 0 336.352 -1.301 20 0 EAADRO C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001266946037 785171145 /nfs/dbraw/zinc/17/11/45/785171145.db2.gz GDNKRSLAHMXCBU-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001266946038 785170452 /nfs/dbraw/zinc/17/04/52/785170452.db2.gz GDNKRSLAHMXCBU-MNOVXSKESA-N 1 0 339.396 -1.499 20 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785170999 /nfs/dbraw/zinc/17/09/99/785170999.db2.gz AGNMQVOJHLZFMD-VXGBXAGGSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@@H](CNC(=O)CCS(C)(=O)=O)[NH2+]CCN1C(=O)CCC1=O ZINC001266947904 785171712 /nfs/dbraw/zinc/17/17/12/785171712.db2.gz KBYRDWCLRIQUJJ-JTQLQIEISA-N 1 0 333.410 -1.336 20 0 EAADRO C[C@H](CNC(=O)CCS(C)(=O)=O)[NH2+]CCN1C(=O)CCC1=O ZINC001266947906 785171441 /nfs/dbraw/zinc/17/14/41/785171441.db2.gz KBYRDWCLRIQUJJ-SNVBAGLBSA-N 1 0 333.410 -1.336 20 0 EAADRO C[C@@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CCN1CCCS1(=O)=O ZINC001266948402 785170377 /nfs/dbraw/zinc/17/03/77/785170377.db2.gz DWXVYUDDCSNLRP-JTQLQIEISA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CCN1CCCS1(=O)=O ZINC001266948403 785171601 /nfs/dbraw/zinc/17/16/01/785171601.db2.gz DWXVYUDDCSNLRP-SNVBAGLBSA-N 1 0 334.442 -1.372 20 0 EAADRO C[C@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001266948799 785171016 /nfs/dbraw/zinc/17/10/16/785171016.db2.gz LMQZVAJCKOJMIO-SECBINFHSA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001266948800 785171346 /nfs/dbraw/zinc/17/13/46/785171346.db2.gz LMQZVAJCKOJMIO-VIFPVBQESA-N 1 0 341.455 -1.935 20 0 EAADRO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]CCN1C(=O)CCC1=O ZINC001266949156 785171157 /nfs/dbraw/zinc/17/11/57/785171157.db2.gz HHDONZZIVWVGOY-BDAKNGLRSA-N 1 0 339.352 -2.172 20 0 EAADRO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]CCN1C(=O)CCC1=O ZINC001266949157 785170877 /nfs/dbraw/zinc/17/08/77/785170877.db2.gz HHDONZZIVWVGOY-IUCAKERBSA-N 1 0 339.352 -2.172 20 0 EAADRO C[C@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266949218 785171515 /nfs/dbraw/zinc/17/15/15/785171515.db2.gz IESHFQVCFNYAJB-SECBINFHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266949219 785170635 /nfs/dbraw/zinc/17/06/35/785170635.db2.gz IESHFQVCFNYAJB-VIFPVBQESA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001266949255 785171308 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20 0 EAADRO C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]CCNS(C)(=O)=O ZINC001266949992 785171224 /nfs/dbraw/zinc/17/12/24/785171224.db2.gz WSHWEOZQCJJBNY-IUCAKERBSA-N 1 0 329.444 -1.937 20 0 EAADRO C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)[NH2+]CCNS(C)(=O)=O ZINC001266949993 785171473 /nfs/dbraw/zinc/17/14/73/785171473.db2.gz WSHWEOZQCJJBNY-RKDXNWHRSA-N 1 0 329.444 -1.937 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266950179 785171425 /nfs/dbraw/zinc/17/14/25/785171425.db2.gz MZLYNFHWMUBSIT-AAEUAGOBSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266950181 785170483 /nfs/dbraw/zinc/17/04/83/785170483.db2.gz MZLYNFHWMUBSIT-DGCLKSJQSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266950183 785171237 /nfs/dbraw/zinc/17/12/37/785171237.db2.gz MZLYNFHWMUBSIT-WCQYABFASA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266950185 785171522 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EAADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001266950300 785172745 /nfs/dbraw/zinc/17/27/45/785172745.db2.gz TYOUOYAJGKAOQP-VIFPVBQESA-N 1 0 339.356 -2.772 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]CCCN1C(=O)CNC1=O ZINC001266951972 785173203 /nfs/dbraw/zinc/17/32/03/785173203.db2.gz YQVAZLXHWDEOND-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]CCCN1C(=O)CNC1=O ZINC001266951973 785172431 /nfs/dbraw/zinc/17/24/31/785172431.db2.gz YQVAZLXHWDEOND-MNOVXSKESA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]CCCN1C(=O)CNC1=O ZINC001266951974 785172550 /nfs/dbraw/zinc/17/25/50/785172550.db2.gz YQVAZLXHWDEOND-QWRGUYRKSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]CCCN1C(=O)CNC1=O ZINC001266951975 785172373 /nfs/dbraw/zinc/17/23/73/785172373.db2.gz YQVAZLXHWDEOND-WDEREUQCSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]CCCS(C)(=O)=O ZINC001266956178 785172381 /nfs/dbraw/zinc/17/23/81/785172381.db2.gz NPPBKCDPJHPDPP-JTQLQIEISA-N 1 0 346.409 -1.522 20 0 EAADRO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]CCCS(C)(=O)=O ZINC001266956180 785172756 /nfs/dbraw/zinc/17/27/56/785172756.db2.gz NPPBKCDPJHPDPP-SNVBAGLBSA-N 1 0 346.409 -1.522 20 0 EAADRO C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)[NH2+]CCN1C(=O)CNC1=O ZINC001266956736 785173164 /nfs/dbraw/zinc/17/31/64/785173164.db2.gz RSKWWAWBOMKEOP-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)[NH2+]CCN1C(=O)CNC1=O ZINC001266956738 785172243 /nfs/dbraw/zinc/17/22/43/785172243.db2.gz RSKWWAWBOMKEOP-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)[NH2+]CCN1C(=O)CNC1=O ZINC001266956740 785172466 /nfs/dbraw/zinc/17/24/66/785172466.db2.gz RSKWWAWBOMKEOP-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)[NH2+]CCN1C(=O)CNC1=O ZINC001266956742 785172839 /nfs/dbraw/zinc/17/28/39/785172839.db2.gz RSKWWAWBOMKEOP-WDEREUQCSA-N 1 0 339.396 -1.309 20 0 EAADRO COc1cc(C(=O)NC[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)nn1C ZINC001266957593 785172792 /nfs/dbraw/zinc/17/27/92/785172792.db2.gz YYFZFFOVMOSQQL-SECBINFHSA-N 1 0 338.368 -1.312 20 0 EAADRO COc1cc(C(=O)NC[C@H](C)[NH2+]CCN2C(=O)CNC2=O)nn1C ZINC001266957598 785172736 /nfs/dbraw/zinc/17/27/36/785172736.db2.gz YYFZFFOVMOSQQL-VIFPVBQESA-N 1 0 338.368 -1.312 20 0 EAADRO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266957600 785173032 /nfs/dbraw/zinc/17/30/32/785173032.db2.gz YYODLKRLKLITDZ-NXEZZACHSA-N 1 0 338.364 -1.575 20 0 EAADRO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266957604 785172990 /nfs/dbraw/zinc/17/29/90/785172990.db2.gz YYODLKRLKLITDZ-UWVGGRQHSA-N 1 0 338.364 -1.575 20 0 EAADRO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266957606 785172905 /nfs/dbraw/zinc/17/29/05/785172905.db2.gz YYODLKRLKLITDZ-VHSXEESVSA-N 1 0 338.364 -1.575 20 0 EAADRO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266957608 785172358 /nfs/dbraw/zinc/17/23/58/785172358.db2.gz YYODLKRLKLITDZ-ZJUUUORDSA-N 1 0 338.364 -1.575 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001266959549 785172977 /nfs/dbraw/zinc/17/29/77/785172977.db2.gz VWBLLHDJLRCBBG-UHFFFAOYSA-N 1 0 327.385 -1.499 20 0 EAADRO CCCNC(=O)C[NH2+]CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001266959731 785173123 /nfs/dbraw/zinc/17/31/23/785173123.db2.gz ZGPQQVVLEWZETB-UHFFFAOYSA-N 1 0 327.385 -1.498 20 0 EAADRO C[C@@H](CNC(=O)c1cnn2cccnc12)[NH2+]CCNS(C)(=O)=O ZINC001266960391 785172677 /nfs/dbraw/zinc/17/26/77/785172677.db2.gz IISFXLLJQWKLBP-JTQLQIEISA-N 1 0 340.409 -1.014 20 0 EAADRO C[C@H](CNC(=O)c1cnn2cccnc12)[NH2+]CCNS(C)(=O)=O ZINC001266960393 785172202 /nfs/dbraw/zinc/17/22/02/785172202.db2.gz IISFXLLJQWKLBP-SNVBAGLBSA-N 1 0 340.409 -1.014 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]CCN1CCCS1(=O)=O ZINC001266960421 785172846 /nfs/dbraw/zinc/17/28/46/785172846.db2.gz BEKKQMPWXFFJBR-GHMZBOCLSA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]CCN1CCCS1(=O)=O ZINC001266960423 785172262 /nfs/dbraw/zinc/17/22/62/785172262.db2.gz BEKKQMPWXFFJBR-MNOVXSKESA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]CCN1CCCS1(=O)=O ZINC001266960425 785172394 /nfs/dbraw/zinc/17/23/94/785172394.db2.gz BEKKQMPWXFFJBR-QWRGUYRKSA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]CCN1CCCS1(=O)=O ZINC001266960427 785172659 /nfs/dbraw/zinc/17/26/59/785172659.db2.gz BEKKQMPWXFFJBR-WDEREUQCSA-N 1 0 332.426 -1.748 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266960502 785172330 /nfs/dbraw/zinc/17/23/30/785172330.db2.gz CFHUGKQGMDOUQN-NXEZZACHSA-N 1 0 340.384 -1.954 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266960503 785173158 /nfs/dbraw/zinc/17/31/58/785173158.db2.gz CFHUGKQGMDOUQN-UWVGGRQHSA-N 1 0 340.384 -1.954 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266960504 785173197 /nfs/dbraw/zinc/17/31/97/785173197.db2.gz CFHUGKQGMDOUQN-VHSXEESVSA-N 1 0 340.384 -1.954 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266960505 785172224 /nfs/dbraw/zinc/17/22/24/785172224.db2.gz CFHUGKQGMDOUQN-ZJUUUORDSA-N 1 0 340.384 -1.954 20 0 EAADRO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH2+]Cc1cnnn1C ZINC001266962348 785172822 /nfs/dbraw/zinc/17/28/22/785172822.db2.gz YZNOKLRVHRIRKG-LLVKDONJSA-N 1 0 344.379 -1.081 20 0 EAADRO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH2+]Cc1cnnn1C ZINC001266962349 785172810 /nfs/dbraw/zinc/17/28/10/785172810.db2.gz YZNOKLRVHRIRKG-NSHDSACASA-N 1 0 344.379 -1.081 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266962429 785172170 /nfs/dbraw/zinc/17/21/70/785172170.db2.gz QLTWCELMZIBKGK-CMPLNLGQSA-N 1 0 326.397 -1.488 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266962430 785172341 /nfs/dbraw/zinc/17/23/41/785172341.db2.gz QLTWCELMZIBKGK-JQWIXIFHSA-N 1 0 326.397 -1.488 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266962431 785173096 /nfs/dbraw/zinc/17/30/96/785173096.db2.gz QLTWCELMZIBKGK-PWSUYJOCSA-N 1 0 326.397 -1.488 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]CC(=O)NC1CCOCC1 ZINC001266962432 785172887 /nfs/dbraw/zinc/17/28/87/785172887.db2.gz QLTWCELMZIBKGK-ZYHUDNBSSA-N 1 0 326.397 -1.488 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266963265 785173178 /nfs/dbraw/zinc/17/31/78/785173178.db2.gz CEWFDXRQPAZNNY-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266963266 785172161 /nfs/dbraw/zinc/17/21/61/785172161.db2.gz CEWFDXRQPAZNNY-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001266963345 785174064 /nfs/dbraw/zinc/17/40/64/785174064.db2.gz DJJHEPUOWOJJFD-GXSJLCMTSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001266963346 785174011 /nfs/dbraw/zinc/17/40/11/785174011.db2.gz DJJHEPUOWOJJFD-KOLCDFICSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001266963347 785173892 /nfs/dbraw/zinc/17/38/92/785173892.db2.gz DJJHEPUOWOJJFD-MWLCHTKSSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001266963348 785173972 /nfs/dbraw/zinc/17/39/72/785173972.db2.gz DJJHEPUOWOJJFD-ONGXEEELSA-N 1 0 339.396 -1.453 20 0 EAADRO C[C@H](CNC(=O)c1nnn(C)n1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266964067 785174327 /nfs/dbraw/zinc/17/43/27/785174327.db2.gz KHZVHOJKJFZPLO-MRVPVSSYSA-N 1 0 338.372 -1.752 20 0 EAADRO C[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266964068 785174467 /nfs/dbraw/zinc/17/44/67/785174467.db2.gz KHZVHOJKJFZPLO-QMMMGPOBSA-N 1 0 338.372 -1.752 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001266964319 785174413 /nfs/dbraw/zinc/17/44/13/785174413.db2.gz MHGMUGSLCNZDOB-NEPJUHHUSA-N 1 0 326.397 -1.582 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001266964320 785174704 /nfs/dbraw/zinc/17/47/04/785174704.db2.gz MHGMUGSLCNZDOB-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001266964322 785174139 /nfs/dbraw/zinc/17/41/39/785174139.db2.gz MHGMUGSLCNZDOB-RYUDHWBXSA-N 1 0 326.397 -1.582 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001266964326 785174486 /nfs/dbraw/zinc/17/44/86/785174486.db2.gz MHGMUGSLCNZDOB-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001266964933 785173874 /nfs/dbraw/zinc/17/38/74/785173874.db2.gz SCFUZNNDXIDORW-GHMZBOCLSA-N 1 0 341.412 -1.205 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001266964934 785174301 /nfs/dbraw/zinc/17/43/01/785174301.db2.gz SCFUZNNDXIDORW-MNOVXSKESA-N 1 0 341.412 -1.205 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001266964935 785174262 /nfs/dbraw/zinc/17/42/62/785174262.db2.gz SCFUZNNDXIDORW-QWRGUYRKSA-N 1 0 341.412 -1.205 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001266964936 785174770 /nfs/dbraw/zinc/17/47/70/785174770.db2.gz SCFUZNNDXIDORW-WDEREUQCSA-N 1 0 341.412 -1.205 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)Cc1nnc[nH]1 ZINC001266966457 785174205 /nfs/dbraw/zinc/17/42/05/785174205.db2.gz RSFQVJZWASVWAH-LLVKDONJSA-N 1 0 344.441 -1.323 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)Cc1nnc[nH]1 ZINC001266966458 785174222 /nfs/dbraw/zinc/17/42/22/785174222.db2.gz RSFQVJZWASVWAH-NSHDSACASA-N 1 0 344.441 -1.323 20 0 EAADRO C[C@@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CCN1CCCS1(=O)=O ZINC001266967307 785173785 /nfs/dbraw/zinc/17/37/85/785173785.db2.gz KCIFPOKNBQVSLT-JTQLQIEISA-N 1 0 332.426 -1.618 20 0 EAADRO C[C@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CCN1CCCS1(=O)=O ZINC001266967308 785174658 /nfs/dbraw/zinc/17/46/58/785174658.db2.gz KCIFPOKNBQVSLT-SNVBAGLBSA-N 1 0 332.426 -1.618 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266967485 785174349 /nfs/dbraw/zinc/17/43/49/785174349.db2.gz GIESXILJJUICHH-SECBINFHSA-N 1 0 333.414 -1.227 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266967486 785173851 /nfs/dbraw/zinc/17/38/51/785173851.db2.gz GIESXILJJUICHH-VIFPVBQESA-N 1 0 333.414 -1.227 20 0 EAADRO C[C@@H](CNC(=O)C(N)=O)[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC001266968214 785174807 /nfs/dbraw/zinc/17/48/07/785174807.db2.gz TVXKKNBIUJHTLR-JTQLQIEISA-N 1 0 340.355 -1.100 20 0 EAADRO C[C@H](CNC(=O)C(N)=O)[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC001266968223 785174539 /nfs/dbraw/zinc/17/45/39/785174539.db2.gz TVXKKNBIUJHTLR-SNVBAGLBSA-N 1 0 340.355 -1.100 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)CNC(=O)C(N)=O)CC1 ZINC001266968437 785173906 /nfs/dbraw/zinc/17/39/06/785173906.db2.gz VIBTZYDXLBIFKI-SECBINFHSA-N 1 0 327.385 -2.307 20 0 EAADRO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)CNC(=O)C(N)=O)CC1 ZINC001266968438 785174076 /nfs/dbraw/zinc/17/40/76/785174076.db2.gz VIBTZYDXLBIFKI-VIFPVBQESA-N 1 0 327.385 -2.307 20 0 EAADRO C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)[NH2+]Cc1cnn(C)c1 ZINC001266975246 785174787 /nfs/dbraw/zinc/17/47/87/785174787.db2.gz MAKSDDUPNHYEGK-LLVKDONJSA-N 1 0 344.379 -1.081 20 0 EAADRO C[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)[NH2+]Cc1cnn(C)c1 ZINC001266975248 785173961 /nfs/dbraw/zinc/17/39/61/785173961.db2.gz MAKSDDUPNHYEGK-NSHDSACASA-N 1 0 344.379 -1.081 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266975648 785174195 /nfs/dbraw/zinc/17/41/95/785174195.db2.gz ODWVTEPGOIBIHG-HTQZYQBOSA-N 1 0 327.341 -2.364 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266975649 785174154 /nfs/dbraw/zinc/17/41/54/785174154.db2.gz ODWVTEPGOIBIHG-JGVFFNPUSA-N 1 0 327.341 -2.364 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266975650 785173997 /nfs/dbraw/zinc/17/39/97/785173997.db2.gz ODWVTEPGOIBIHG-SFYZADRCSA-N 1 0 327.341 -2.364 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266975651 785174684 /nfs/dbraw/zinc/17/46/84/785174684.db2.gz ODWVTEPGOIBIHG-YUMQZZPRSA-N 1 0 327.341 -2.364 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[NH2+][C@H]1CCCNC1=O ZINC001266976062 785174134 /nfs/dbraw/zinc/17/41/34/785174134.db2.gz SJLFOMJUBSSIJQ-BDAKNGLRSA-N 1 0 339.352 -2.220 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[NH2+][C@@H]1CCCNC1=O ZINC001266976063 785174420 /nfs/dbraw/zinc/17/44/20/785174420.db2.gz SJLFOMJUBSSIJQ-DTWKUNHWSA-N 1 0 339.352 -2.220 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[NH2+][C@H]1CCCNC1=O ZINC001266976064 785174498 /nfs/dbraw/zinc/17/44/98/785174498.db2.gz SJLFOMJUBSSIJQ-IUCAKERBSA-N 1 0 339.352 -2.220 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[NH2+][C@@H]1CCCNC1=O ZINC001266976065 785174214 /nfs/dbraw/zinc/17/42/14/785174214.db2.gz SJLFOMJUBSSIJQ-RKDXNWHRSA-N 1 0 339.352 -2.220 20 0 EAADRO CC(C)c1nnnn1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266976946 785174181 /nfs/dbraw/zinc/17/41/81/785174181.db2.gz FWIKICOGNDTNDQ-NXEZZACHSA-N 1 0 337.384 -1.304 20 0 EAADRO CC(C)c1nnnn1CC(=O)NC[C@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266976947 785174127 /nfs/dbraw/zinc/17/41/27/785174127.db2.gz FWIKICOGNDTNDQ-UWVGGRQHSA-N 1 0 337.384 -1.304 20 0 EAADRO CC(C)c1nnnn1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266976948 785174247 /nfs/dbraw/zinc/17/42/47/785174247.db2.gz FWIKICOGNDTNDQ-VHSXEESVSA-N 1 0 337.384 -1.304 20 0 EAADRO CC(C)c1nnnn1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266976949 785174722 /nfs/dbraw/zinc/17/47/22/785174722.db2.gz FWIKICOGNDTNDQ-ZJUUUORDSA-N 1 0 337.384 -1.304 20 0 EAADRO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCCS(C)(=O)=O ZINC001266977638 785174555 /nfs/dbraw/zinc/17/45/55/785174555.db2.gz BIPBUSSIDJEBSF-SECBINFHSA-N 1 0 333.410 -1.432 20 0 EAADRO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCCS(C)(=O)=O ZINC001266977639 785173950 /nfs/dbraw/zinc/17/39/50/785173950.db2.gz BIPBUSSIDJEBSF-VIFPVBQESA-N 1 0 333.410 -1.432 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](C)[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001266978139 785174147 /nfs/dbraw/zinc/17/41/47/785174147.db2.gz IHPDZTUVTTVFSW-LLVKDONJSA-N 1 0 340.424 -1.098 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](C)[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001266978140 785174448 /nfs/dbraw/zinc/17/44/48/785174448.db2.gz IHPDZTUVTTVFSW-NSHDSACASA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001266978364 785174841 /nfs/dbraw/zinc/17/48/41/785174841.db2.gz MJUOSTMMQVQFOQ-SECBINFHSA-N 1 0 338.364 -1.718 20 0 EAADRO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001266978365 785174256 /nfs/dbraw/zinc/17/42/56/785174256.db2.gz MJUOSTMMQVQFOQ-VIFPVBQESA-N 1 0 338.364 -1.718 20 0 EAADRO C[C@H](CNC(=O)CCN1CCOCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001266978392 785174336 /nfs/dbraw/zinc/17/43/36/785174336.db2.gz MUWZISNHOYXMRA-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@@H](CNC(=O)CCN1CCOCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001266978393 785174087 /nfs/dbraw/zinc/17/40/87/785174087.db2.gz MUWZISNHOYXMRA-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001266978574 785174024 /nfs/dbraw/zinc/17/40/24/785174024.db2.gz QTZRMMLOBNQCPF-SECBINFHSA-N 1 0 339.396 -1.405 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001266978575 785174314 /nfs/dbraw/zinc/17/43/14/785174314.db2.gz QTZRMMLOBNQCPF-VIFPVBQESA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H](CNC(=O)c1cnn(C)n1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266978679 785174220 /nfs/dbraw/zinc/17/42/20/785174220.db2.gz SUVGNXQTMGKNNB-SECBINFHSA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](CNC(=O)c1cnn(C)n1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266978680 785173809 /nfs/dbraw/zinc/17/38/09/785173809.db2.gz SUVGNXQTMGKNNB-VIFPVBQESA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001266978719 785174174 /nfs/dbraw/zinc/17/41/74/785174174.db2.gz UFPGIYYLZYHXAM-JTQLQIEISA-N 1 0 340.380 -2.008 20 0 EAADRO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001266978720 785174586 /nfs/dbraw/zinc/17/45/86/785174586.db2.gz UFPGIYYLZYHXAM-SNVBAGLBSA-N 1 0 340.380 -2.008 20 0 EAADRO CCNC(=O)C[NH2+]CCN(C)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001266979215 785175424 /nfs/dbraw/zinc/17/54/24/785175424.db2.gz AIBNRBQQMQCDMN-UHFFFAOYSA-N 1 0 327.341 -1.306 20 0 EAADRO C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@H](C)C(=O)N(C)C ZINC001266979484 785175939 /nfs/dbraw/zinc/17/59/39/785175939.db2.gz HTLLDJYREBUICZ-GHMZBOCLSA-N 1 0 339.396 -1.502 20 0 EAADRO C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H](C)C(=O)N(C)C ZINC001266979488 785175720 /nfs/dbraw/zinc/17/57/20/785175720.db2.gz HTLLDJYREBUICZ-MNOVXSKESA-N 1 0 339.396 -1.502 20 0 EAADRO C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H](C)C(=O)N(C)C ZINC001266979490 785175497 /nfs/dbraw/zinc/17/54/97/785175497.db2.gz HTLLDJYREBUICZ-QWRGUYRKSA-N 1 0 339.396 -1.502 20 0 EAADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)N(C)C ZINC001266979491 785175510 /nfs/dbraw/zinc/17/55/10/785175510.db2.gz HTLLDJYREBUICZ-WDEREUQCSA-N 1 0 339.396 -1.502 20 0 EAADRO C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H]1CCCNC1=O ZINC001266979492 785175484 /nfs/dbraw/zinc/17/54/84/785175484.db2.gz HTMZAUXSPOPXHX-GHMZBOCLSA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@H]1CCCNC1=O ZINC001266979494 785175385 /nfs/dbraw/zinc/17/53/85/785175385.db2.gz HTMZAUXSPOPXHX-MNOVXSKESA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@H]1CCCNC1=O ZINC001266979496 785175687 /nfs/dbraw/zinc/17/56/87/785175687.db2.gz HTMZAUXSPOPXHX-QWRGUYRKSA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H]1CCCNC1=O ZINC001266979498 785175563 /nfs/dbraw/zinc/17/55/63/785175563.db2.gz HTMZAUXSPOPXHX-WDEREUQCSA-N 1 0 337.380 -1.700 20 0 EAADRO C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]Cc1cnn(C)c1 ZINC001266979580 785175662 /nfs/dbraw/zinc/17/56/62/785175662.db2.gz ITNFUMYHXFWJSF-LLVKDONJSA-N 1 0 334.380 -1.045 20 0 EAADRO C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]Cc1cnn(C)c1 ZINC001266979582 785175410 /nfs/dbraw/zinc/17/54/10/785175410.db2.gz ITNFUMYHXFWJSF-NSHDSACASA-N 1 0 334.380 -1.045 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC1)C(=O)CN1CC(=O)N(C)C1=O ZINC001266979816 785175472 /nfs/dbraw/zinc/17/54/72/785175472.db2.gz LBOHTRICZPHBFS-UHFFFAOYSA-N 1 0 325.369 -1.839 20 0 EAADRO CN(CC[NH2+]CCN1CCCC1=O)C(=O)CN1CC(=O)N(C)C1=O ZINC001266980214 785175448 /nfs/dbraw/zinc/17/54/48/785175448.db2.gz ROBSSWIQVWLGNU-UHFFFAOYSA-N 1 0 339.396 -1.449 20 0 EAADRO C[C@@H](CNC(=O)C(=O)NCC1CC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001266980650 785175987 /nfs/dbraw/zinc/17/59/87/785175987.db2.gz BBQGDYQKPHGBFS-JTQLQIEISA-N 1 0 334.442 -1.502 20 0 EAADRO C[C@H](CNC(=O)C(=O)NCC1CC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001266980653 785176070 /nfs/dbraw/zinc/17/60/70/785176070.db2.gz BBQGDYQKPHGBFS-SNVBAGLBSA-N 1 0 334.442 -1.502 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001266980730 785175915 /nfs/dbraw/zinc/17/59/15/785175915.db2.gz USIHYXXICROOAH-NXEZZACHSA-N 1 0 325.369 -1.845 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001266980731 785175352 /nfs/dbraw/zinc/17/53/52/785175352.db2.gz USIHYXXICROOAH-UWVGGRQHSA-N 1 0 325.369 -1.845 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001266980732 785176232 /nfs/dbraw/zinc/17/62/32/785176232.db2.gz USIHYXXICROOAH-VHSXEESVSA-N 1 0 325.369 -1.845 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001266980733 785175327 /nfs/dbraw/zinc/17/53/27/785175327.db2.gz USIHYXXICROOAH-ZJUUUORDSA-N 1 0 325.369 -1.845 20 0 EAADRO C[C@@H](CNC(=O)C(=O)NCC1CC1)NCc1nnc2n1CCOC2 ZINC001266981458 785175340 /nfs/dbraw/zinc/17/53/40/785175340.db2.gz KPYMQHICYLOQHI-JTQLQIEISA-N 1 0 336.396 -1.071 20 0 EAADRO C[C@H](CNC(=O)C(=O)NCC1CC1)NCc1nnc2n1CCOC2 ZINC001266981459 785176325 /nfs/dbraw/zinc/17/63/25/785176325.db2.gz KPYMQHICYLOQHI-SNVBAGLBSA-N 1 0 336.396 -1.071 20 0 EAADRO C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]CCc1ccnn1C ZINC001266984377 785175928 /nfs/dbraw/zinc/17/59/28/785175928.db2.gz AROUQHLMPJCNJC-LLVKDONJSA-N 1 0 336.396 -1.049 20 0 EAADRO C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]CCc1ccnn1C ZINC001266984378 785175363 /nfs/dbraw/zinc/17/53/63/785175363.db2.gz AROUQHLMPJCNJC-NSHDSACASA-N 1 0 336.396 -1.049 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001266985056 785176212 /nfs/dbraw/zinc/17/62/12/785176212.db2.gz GDVZQHKMSCFKEN-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001266985057 785176098 /nfs/dbraw/zinc/17/60/98/785176098.db2.gz GDVZQHKMSCFKEN-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985358 785175295 /nfs/dbraw/zinc/17/52/95/785175295.db2.gz KAHDQAWVQVDWQS-JTQLQIEISA-N 1 0 327.385 -1.499 20 0 EAADRO CCCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985359 785176155 /nfs/dbraw/zinc/17/61/55/785176155.db2.gz KAHDQAWVQVDWQS-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985829 785175460 /nfs/dbraw/zinc/17/54/60/785175460.db2.gz QIPNKUFLCBNNBO-JTQLQIEISA-N 1 0 327.385 -1.547 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985830 785175436 /nfs/dbraw/zinc/17/54/36/785175436.db2.gz QIPNKUFLCBNNBO-SNVBAGLBSA-N 1 0 327.385 -1.547 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266986266 785175271 /nfs/dbraw/zinc/17/52/71/785175271.db2.gz WDDDPWSRPAPPHD-JTQLQIEISA-N 1 0 327.385 -1.501 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266986267 785176303 /nfs/dbraw/zinc/17/63/03/785176303.db2.gz WDDDPWSRPAPPHD-SNVBAGLBSA-N 1 0 327.385 -1.501 20 0 EAADRO CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)Cc1cncn1C ZINC001266988720 785176253 /nfs/dbraw/zinc/17/62/53/785176253.db2.gz OGIVXPSXPBGEQT-UHFFFAOYSA-N 1 0 336.396 -1.048 20 0 EAADRO CCn1cnc(C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001266989491 785176243 /nfs/dbraw/zinc/17/62/43/785176243.db2.gz YRBXNHTVEKTDEU-UHFFFAOYSA-N 1 0 336.396 -1.477 20 0 EAADRO CNC(=O)c1cccc(C(=O)NC[C@@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001266990418 785176001 /nfs/dbraw/zinc/17/60/01/785176001.db2.gz ONETZQQMFURGHG-BXKDBHETSA-N 1 0 347.375 -1.046 20 0 EAADRO CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001266990419 785177727 /nfs/dbraw/zinc/17/77/27/785177727.db2.gz ONETZQQMFURGHG-CABZTGNLSA-N 1 0 347.375 -1.046 20 0 EAADRO CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001266990420 785177236 /nfs/dbraw/zinc/17/72/36/785177236.db2.gz ONETZQQMFURGHG-JOYOIKCWSA-N 1 0 347.375 -1.046 20 0 EAADRO CNC(=O)c1cccc(C(=O)NC[C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001266990421 785177632 /nfs/dbraw/zinc/17/76/32/785177632.db2.gz ONETZQQMFURGHG-SKDRFNHKSA-N 1 0 347.375 -1.046 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)[NH2+]CCN1C(=O)CNC1=O ZINC001266990442 785177275 /nfs/dbraw/zinc/17/72/75/785177275.db2.gz OYXZKCTWOLOIRP-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)[NH2+]CCN1C(=O)CNC1=O ZINC001266990443 785177551 /nfs/dbraw/zinc/17/75/51/785177551.db2.gz OYXZKCTWOLOIRP-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)[NH2+]CCN1C(=O)CNC1=O ZINC001266990444 785176984 /nfs/dbraw/zinc/17/69/84/785176984.db2.gz OYXZKCTWOLOIRP-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)[NH2+]CCN1C(=O)CNC1=O ZINC001266990445 785177314 /nfs/dbraw/zinc/17/73/14/785177314.db2.gz OYXZKCTWOLOIRP-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001266990862 785175287 /nfs/dbraw/zinc/17/52/87/785175287.db2.gz BRDNVRZDVHSHMV-NXEZZACHSA-N 1 0 327.385 -1.453 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001266990863 785175763 /nfs/dbraw/zinc/17/57/63/785175763.db2.gz BRDNVRZDVHSHMV-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001266990864 785176147 /nfs/dbraw/zinc/17/61/47/785176147.db2.gz BRDNVRZDVHSHMV-VHSXEESVSA-N 1 0 327.385 -1.453 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001266990865 785175551 /nfs/dbraw/zinc/17/55/51/785175551.db2.gz BRDNVRZDVHSHMV-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266990998 785176108 /nfs/dbraw/zinc/17/61/08/785176108.db2.gz CKMOENNAZGHGNB-BDAKNGLRSA-N 1 0 339.352 -2.220 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266990999 785175967 /nfs/dbraw/zinc/17/59/67/785175967.db2.gz CKMOENNAZGHGNB-DTWKUNHWSA-N 1 0 339.352 -2.220 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266991000 785176084 /nfs/dbraw/zinc/17/60/84/785176084.db2.gz CKMOENNAZGHGNB-IUCAKERBSA-N 1 0 339.352 -2.220 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266991001 785175814 /nfs/dbraw/zinc/17/58/14/785175814.db2.gz CKMOENNAZGHGNB-RKDXNWHRSA-N 1 0 339.352 -2.220 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001266991036 785175399 /nfs/dbraw/zinc/17/53/99/785175399.db2.gz DIOZIRZYOGXUCP-BDAKNGLRSA-N 1 0 341.368 -1.926 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001266991037 785175855 /nfs/dbraw/zinc/17/58/55/785175855.db2.gz DIOZIRZYOGXUCP-DTWKUNHWSA-N 1 0 341.368 -1.926 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001266991038 785175316 /nfs/dbraw/zinc/17/53/16/785175316.db2.gz DIOZIRZYOGXUCP-IUCAKERBSA-N 1 0 341.368 -1.926 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001266991039 785175706 /nfs/dbraw/zinc/17/57/06/785175706.db2.gz DIOZIRZYOGXUCP-RKDXNWHRSA-N 1 0 341.368 -1.926 20 0 EAADRO C[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]CC(=O)NC(C)(C)C ZINC001266991394 785177259 /nfs/dbraw/zinc/17/72/59/785177259.db2.gz JGDVVLQYTILLGK-NXEZZACHSA-N 1 0 341.412 -1.016 20 0 EAADRO C[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]CC(=O)NC(C)(C)C ZINC001266991395 785177569 /nfs/dbraw/zinc/17/75/69/785177569.db2.gz JGDVVLQYTILLGK-UWVGGRQHSA-N 1 0 341.412 -1.016 20 0 EAADRO C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]CC(=O)NC(C)(C)C ZINC001266991396 785177042 /nfs/dbraw/zinc/17/70/42/785177042.db2.gz JGDVVLQYTILLGK-VHSXEESVSA-N 1 0 341.412 -1.016 20 0 EAADRO C[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]CC(=O)NC(C)(C)C ZINC001266991397 785176789 /nfs/dbraw/zinc/17/67/89/785176789.db2.gz JGDVVLQYTILLGK-ZJUUUORDSA-N 1 0 341.412 -1.016 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NC1CCCC1 ZINC001266991549 785177768 /nfs/dbraw/zinc/17/77/68/785177768.db2.gz MONCBRWOCUFHHM-JTQLQIEISA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NC1CCCC1 ZINC001266991550 785177338 /nfs/dbraw/zinc/17/73/38/785177338.db2.gz MONCBRWOCUFHHM-SNVBAGLBSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)N(C)C1CC1 ZINC001266991575 785176881 /nfs/dbraw/zinc/17/68/81/785176881.db2.gz MWIXWKCOLCGHAX-SECBINFHSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)N(C)C1CC1 ZINC001266991576 785176850 /nfs/dbraw/zinc/17/68/50/785176850.db2.gz MWIXWKCOLCGHAX-VIFPVBQESA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]CCNC(=O)C1CC1 ZINC001266991839 785177127 /nfs/dbraw/zinc/17/71/27/785177127.db2.gz SOBVTLNCOFZCGO-SECBINFHSA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]CCNC(=O)C1CC1 ZINC001266991840 785177759 /nfs/dbraw/zinc/17/77/59/785177759.db2.gz SOBVTLNCOFZCGO-VIFPVBQESA-N 1 0 325.369 -1.841 20 0 EAADRO C[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]CC(=O)N1CCCC1 ZINC001266991903 785177359 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SBJMDSQOROOXAH-JTQLQIEISA-N 1 0 347.441 -1.629 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001266995418 785177794 /nfs/dbraw/zinc/17/77/94/785177794.db2.gz SBJMDSQOROOXAH-SNVBAGLBSA-N 1 0 347.441 -1.629 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001266995729 785177108 /nfs/dbraw/zinc/17/71/08/785177108.db2.gz FKPCQECTYYJXDJ-JTQLQIEISA-N 1 0 348.425 -1.544 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001266995739 785177783 /nfs/dbraw/zinc/17/77/83/785177783.db2.gz FKPCQECTYYJXDJ-SNVBAGLBSA-N 1 0 348.425 -1.544 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001266997101 785177169 /nfs/dbraw/zinc/17/71/69/785177169.db2.gz LKZIKRFCETYLIZ-MRVPVSSYSA-N 1 0 335.386 -2.818 20 0 EAADRO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001266997111 785177614 /nfs/dbraw/zinc/17/76/14/785177614.db2.gz LKZIKRFCETYLIZ-QMMMGPOBSA-N 1 0 335.386 -2.818 20 0 EAADRO 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EAADRO NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001266998420 785177079 /nfs/dbraw/zinc/17/70/79/785177079.db2.gz KEXJZLHELVZLBQ-ZDUSSCGKSA-N 1 0 340.424 -1.157 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1nncs1)C(=O)[C@@H]1CCC(=O)N1 ZINC001266998854 785176704 /nfs/dbraw/zinc/17/67/04/785176704.db2.gz FRKCTFPVRKEAFL-QMMMGPOBSA-N 1 0 326.382 -1.197 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001266999021 785177467 /nfs/dbraw/zinc/17/74/67/785177467.db2.gz RINJAEGZECAKOZ-LLVKDONJSA-N 1 0 327.385 -2.448 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001266999022 785177429 /nfs/dbraw/zinc/17/74/29/785177429.db2.gz RINJAEGZECAKOZ-NSHDSACASA-N 1 0 327.385 -2.448 20 0 EAADRO COCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001266999613 785177016 /nfs/dbraw/zinc/17/70/16/785177016.db2.gz XHPWXAHVFMPWBE-GFCCVEGCSA-N 1 0 338.412 -1.094 20 0 EAADRO COCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001266999614 785176753 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ZINC001267000744 785177152 /nfs/dbraw/zinc/17/71/52/785177152.db2.gz FHFPHTUXWLRLHX-TZMCWYRMSA-N 1 0 340.424 -1.159 20 0 EAADRO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001267000925 785177094 /nfs/dbraw/zinc/17/70/94/785177094.db2.gz GYWRCRHLYHIYEA-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001267000926 785177165 /nfs/dbraw/zinc/17/71/65/785177165.db2.gz GYWRCRHLYHIYEA-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001267000927 785177003 /nfs/dbraw/zinc/17/70/03/785177003.db2.gz GZWMHLHDCZFTGC-LLVKDONJSA-N 1 0 336.396 -1.286 20 0 EAADRO CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001267000928 785176819 /nfs/dbraw/zinc/17/68/19/785176819.db2.gz GZWMHLHDCZFTGC-NSHDSACASA-N 1 0 336.396 -1.286 20 0 EAADRO CNC(=O)NCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001267001166 785179258 /nfs/dbraw/zinc/17/92/58/785179258.db2.gz KGNINOGBMQAKKY-GFCCVEGCSA-N 1 0 343.428 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Cn1cnc(C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCCO)C2)n1 ZINC001267001532 785178455 /nfs/dbraw/zinc/17/84/55/785178455.db2.gz RROJNEMOEORNAF-GFCCVEGCSA-N 1 0 338.412 -1.245 20 0 EAADRO Cn1cnc(C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCCO)C2)n1 ZINC001267001533 785178430 /nfs/dbraw/zinc/17/84/30/785178430.db2.gz RROJNEMOEORNAF-LBPRGKRZSA-N 1 0 338.412 -1.245 20 0 EAADRO Nc1nccnc1C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267001698 785178669 /nfs/dbraw/zinc/17/86/69/785178669.db2.gz VEKJBYWIKHXDIU-LLVKDONJSA-N 1 0 336.396 -1.391 20 0 EAADRO Nc1nccnc1C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267001699 785179041 /nfs/dbraw/zinc/17/90/41/785179041.db2.gz VEKJBYWIKHXDIU-NSHDSACASA-N 1 0 336.396 -1.391 20 0 EAADRO CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC001267001714 785178420 /nfs/dbraw/zinc/17/84/20/785178420.db2.gz VMIKKKZJSYATEA-LLVKDONJSA-N 1 0 337.380 -1.021 20 0 EAADRO CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC001267001715 785179054 /nfs/dbraw/zinc/17/90/54/785179054.db2.gz VMIKKKZJSYATEA-NSHDSACASA-N 1 0 337.380 -1.021 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCF)C1 ZINC001267001742 785179137 /nfs/dbraw/zinc/17/91/37/785179137.db2.gz WAAXAGWYESWWMB-LLVKDONJSA-N 1 0 337.417 -1.055 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCF)C1 ZINC001267001743 785178444 /nfs/dbraw/zinc/17/84/44/785178444.db2.gz WAAXAGWYESWWMB-NSHDSACASA-N 1 0 337.417 -1.055 20 0 EAADRO COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267001744 785179227 /nfs/dbraw/zinc/17/92/27/785179227.db2.gz WBDDALJJHLWCEX-NEPJUHHUSA-N 1 0 328.413 -1.159 20 0 EAADRO COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267001745 785179289 /nfs/dbraw/zinc/17/92/89/785179289.db2.gz WBDDALJJHLWCEX-NWDGAFQWSA-N 1 0 328.413 -1.159 20 0 EAADRO COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267001746 785179008 /nfs/dbraw/zinc/17/90/08/785179008.db2.gz WBDDALJJHLWCEX-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267001747 785179124 /nfs/dbraw/zinc/17/91/24/785179124.db2.gz WBDDALJJHLWCEX-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267001845 785178644 /nfs/dbraw/zinc/17/86/44/785178644.db2.gz BOFUKQMFSYSZQV-CYBMUJFWSA-N 1 0 340.424 -1.551 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267001846 785178522 /nfs/dbraw/zinc/17/85/22/785178522.db2.gz BOFUKQMFSYSZQV-ZDUSSCGKSA-N 1 0 340.424 -1.551 20 0 EAADRO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001267001859 785178999 /nfs/dbraw/zinc/17/89/99/785178999.db2.gz CCEODAMSVAONLF-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001267001860 785178964 /nfs/dbraw/zinc/17/89/64/785178964.db2.gz CCEODAMSVAONLF-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001267002471 785178259 /nfs/dbraw/zinc/17/82/59/785178259.db2.gz MQEFIVRAIGMRNW-FRRDWIJNSA-N 1 0 340.424 -1.016 20 0 EAADRO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001267002472 785178549 /nfs/dbraw/zinc/17/85/49/785178549.db2.gz MQEFIVRAIGMRNW-RWMBFGLXSA-N 1 0 340.424 -1.016 20 0 EAADRO NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001267002487 785178660 /nfs/dbraw/zinc/17/86/60/785178660.db2.gz MVYGAGAWFMDDAN-GFCCVEGCSA-N 1 0 349.391 -1.170 20 0 EAADRO NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001267002488 785178398 /nfs/dbraw/zinc/17/83/98/785178398.db2.gz MVYGAGAWFMDDAN-LBPRGKRZSA-N 1 0 349.391 -1.170 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267002555 785178632 /nfs/dbraw/zinc/17/86/32/785178632.db2.gz OFNZXKWQKBXFFC-JTQLQIEISA-N 1 0 337.384 -2.255 20 0 EAADRO Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267002556 785179013 /nfs/dbraw/zinc/17/90/13/785179013.db2.gz OFNZXKWQKBXFFC-SNVBAGLBSA-N 1 0 337.384 -2.255 20 0 EAADRO Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267002788 785178952 /nfs/dbraw/zinc/17/89/52/785178952.db2.gz TYVAIQVPDPNKQM-LLVKDONJSA-N 1 0 336.396 -1.650 20 0 EAADRO Cn1cncc1C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267002789 785178268 /nfs/dbraw/zinc/17/82/68/785178268.db2.gz TYVAIQVPDPNKQM-NSHDSACASA-N 1 0 336.396 -1.650 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267002807 785178555 /nfs/dbraw/zinc/17/85/55/785178555.db2.gz UIQDITVKMSTKNA-KBPBESRZSA-N 1 0 342.440 -1.162 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267002808 785178777 /nfs/dbraw/zinc/17/87/77/785178777.db2.gz UIQDITVKMSTKNA-KGLIPLIRSA-N 1 0 342.440 -1.162 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267002809 785179048 /nfs/dbraw/zinc/17/90/48/785179048.db2.gz UIQDITVKMSTKNA-UONOGXRCSA-N 1 0 342.440 -1.162 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001267002810 785178280 /nfs/dbraw/zinc/17/82/80/785178280.db2.gz UIQDITVKMSTKNA-ZIAGYGMSSA-N 1 0 342.440 -1.162 20 0 EAADRO O=C(NCC[NH2+]CCF)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001267002866 785178751 /nfs/dbraw/zinc/17/87/51/785178751.db2.gz VFRQOMBPVNJEDM-GHMZBOCLSA-N 1 0 329.376 -1.418 20 0 EAADRO O=C(NCC[NH2+]CCF)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267002867 785178360 /nfs/dbraw/zinc/17/83/60/785178360.db2.gz VFRQOMBPVNJEDM-MNOVXSKESA-N 1 0 329.376 -1.418 20 0 EAADRO O=C(NCC[NH2+]CCF)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267002868 785178857 /nfs/dbraw/zinc/17/88/57/785178857.db2.gz VFRQOMBPVNJEDM-QWRGUYRKSA-N 1 0 329.376 -1.418 20 0 EAADRO O=C(NCC[NH2+]CCF)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001267002869 785178823 /nfs/dbraw/zinc/17/88/23/785178823.db2.gz VFRQOMBPVNJEDM-WDEREUQCSA-N 1 0 329.376 -1.418 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]C(C)C)C1 ZINC001267003027 785178762 /nfs/dbraw/zinc/17/87/62/785178762.db2.gz YUHSRWFNLYGELG-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H](C(=O)NCC[NH2+]C(C)C)C1 ZINC001267003028 785178250 /nfs/dbraw/zinc/17/82/50/785178250.db2.gz YUHSRWFNLYGELG-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001267003051 785178513 /nfs/dbraw/zinc/17/85/13/785178513.db2.gz ZKJPDQZCCBAZKS-MNOVXSKESA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001267003052 785179271 /nfs/dbraw/zinc/17/92/71/785179271.db2.gz ZKJPDQZCCBAZKS-QWRGUYRKSA-N 1 0 339.396 -2.305 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001267003148 785178319 /nfs/dbraw/zinc/17/83/19/785178319.db2.gz AFQIKSDQOWSJNO-AAEUAGOBSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001267003151 785178605 /nfs/dbraw/zinc/17/86/05/785178605.db2.gz AFQIKSDQOWSJNO-YPMHNXCESA-N 1 0 348.469 -1.017 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001267003221 785178328 /nfs/dbraw/zinc/17/83/28/785178328.db2.gz BLLOPMQCWQUKBU-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001267003407 785178709 /nfs/dbraw/zinc/17/87/09/785178709.db2.gz GGTQKJJLSGDDSV-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001267003632 785179101 /nfs/dbraw/zinc/17/91/01/785179101.db2.gz KYQBMSBXSRVJNJ-JTQLQIEISA-N 1 0 336.356 -2.195 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001267003695 785178840 /nfs/dbraw/zinc/17/88/40/785178840.db2.gz OAKNDFFOWHYCTG-NSHDSACASA-N 1 0 338.416 -1.039 20 0 EAADRO Cc1nc[nH]c1C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001267003780 785178345 /nfs/dbraw/zinc/17/83/45/785178345.db2.gz VBJTYTWQFZXSFW-LLVKDONJSA-N 1 0 336.396 -1.239 20 0 EAADRO Cc1nc[nH]c1C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001267003781 785178289 /nfs/dbraw/zinc/17/82/89/785178289.db2.gz VBJTYTWQFZXSFW-NSHDSACASA-N 1 0 336.396 -1.239 20 0 EAADRO COCCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001267003910 785179185 /nfs/dbraw/zinc/17/91/85/785179185.db2.gz XKPLODQVLLKPAX-NWDGAFQWSA-N 1 0 327.381 -1.277 20 0 EAADRO COCCC(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001267003912 785179166 /nfs/dbraw/zinc/17/91/66/785179166.db2.gz XKPLODQVLLKPAX-RYUDHWBXSA-N 1 0 327.381 -1.277 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001267004123 785178370 /nfs/dbraw/zinc/17/83/70/785178370.db2.gz ATTPHQDVKYMRCY-NSHDSACASA-N 1 0 332.426 -1.748 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001267004139 785178803 /nfs/dbraw/zinc/17/88/03/785178803.db2.gz BMYQGAHWJRFMRZ-ZDUSSCGKSA-N 1 0 328.413 -1.192 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001267004496 785178531 /nfs/dbraw/zinc/17/85/31/785178531.db2.gz OQWAUWGXAYSQSO-QWHCGFSZSA-N 1 0 329.397 -1.255 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001267004497 785178383 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CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001267006907 785180561 /nfs/dbraw/zinc/18/05/61/785180561.db2.gz WPDXNLFKHGYWRC-LBPRGKRZSA-N 1 0 326.397 -1.438 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267007514 785180725 /nfs/dbraw/zinc/18/07/25/785180725.db2.gz CHRZGMSTENUJCK-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001267007696 785180651 /nfs/dbraw/zinc/18/06/51/785180651.db2.gz KMRWLTKOEVORPQ-NSHDSACASA-N 1 0 344.441 -1.133 20 0 EAADRO NC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001267007835 785180245 /nfs/dbraw/zinc/18/02/45/785180245.db2.gz QLUGSAGYNODAHM-NWDGAFQWSA-N 1 0 329.397 -1.391 20 0 EAADRO NC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001267007836 785180535 /nfs/dbraw/zinc/18/05/35/785180535.db2.gz QLUGSAGYNODAHM-RYUDHWBXSA-N 1 0 329.397 -1.391 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001267007930 785181128 /nfs/dbraw/zinc/18/11/28/785181128.db2.gz VJTMVACBCVAFOA-UWVGGRQHSA-N 1 0 327.385 -2.355 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001267007931 785180484 /nfs/dbraw/zinc/18/04/84/785180484.db2.gz VJTMVACBCVAFOA-ZJUUUORDSA-N 1 0 327.385 -2.355 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001267008279 785180905 /nfs/dbraw/zinc/18/09/05/785180905.db2.gz JACPIQKTUNBVJE-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO C[C@H](C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)n1cncn1 ZINC001267008521 785180185 /nfs/dbraw/zinc/18/01/85/785180185.db2.gz SLFGCMOKNTXAFL-NEPJUHHUSA-N 1 0 349.395 -1.029 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)n1cncn1 ZINC001267008522 785180741 /nfs/dbraw/zinc/18/07/41/785180741.db2.gz SLFGCMOKNTXAFL-RYUDHWBXSA-N 1 0 349.395 -1.029 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001267008672 785180583 /nfs/dbraw/zinc/18/05/83/785180583.db2.gz AGBXNCJEDQYQCL-UWVGGRQHSA-N 1 0 334.398 -1.775 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001267008673 785180357 /nfs/dbraw/zinc/18/03/57/785180357.db2.gz AGBXNCJEDQYQCL-VHSXEESVSA-N 1 0 334.398 -1.775 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001267008754 785180795 /nfs/dbraw/zinc/18/07/95/785180795.db2.gz CNOFHJLPCRDPFR-CABCVRRESA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001267008755 785180154 /nfs/dbraw/zinc/18/01/54/785180154.db2.gz CNOFHJLPCRDPFR-GJZGRUSLSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001267008756 785180175 /nfs/dbraw/zinc/18/01/75/785180175.db2.gz CNOFHJLPCRDPFR-HUUCEWRRSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001267008757 785180057 /nfs/dbraw/zinc/18/00/57/785180057.db2.gz CNOFHJLPCRDPFR-LSDHHAIUSA-N 1 0 343.424 -1.321 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001267009072 785180546 /nfs/dbraw/zinc/18/05/46/785180546.db2.gz ODPCUDDFNLLQFJ-JTQLQIEISA-N 1 0 330.414 -1.442 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001267009253 785181014 /nfs/dbraw/zinc/18/10/14/785181014.db2.gz VSPBVIHAJWGIJQ-QWRGUYRKSA-N 1 0 328.369 -1.562 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001267009254 785181036 /nfs/dbraw/zinc/18/10/36/785181036.db2.gz VSPBVIHAJWGIJQ-WDEREUQCSA-N 1 0 328.369 -1.562 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001267009314 785180898 /nfs/dbraw/zinc/18/08/98/785180898.db2.gz XEOIIJWEOBIXSS-NSHDSACASA-N 1 0 344.441 -1.051 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001267009317 785180789 /nfs/dbraw/zinc/18/07/89/785180789.db2.gz XJRIYWNAJGOWPQ-LLVKDONJSA-N 1 0 344.441 -1.099 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001267009318 785181071 /nfs/dbraw/zinc/18/10/71/785181071.db2.gz XJRIYWNAJGOWPQ-NSHDSACASA-N 1 0 344.441 -1.099 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001267009789 785180223 /nfs/dbraw/zinc/18/02/23/785180223.db2.gz VJICYMMTKORDRY-NSHDSACASA-N 1 0 345.429 -1.855 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267009916 785180767 /nfs/dbraw/zinc/18/07/67/785180767.db2.gz AXBASTUVTKAIBX-ZDUSSCGKSA-N 1 0 338.412 -1.001 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001267011764 785180234 /nfs/dbraw/zinc/18/02/34/785180234.db2.gz GEFMWLBWSPJAKZ-LBPRGKRZSA-N 1 0 347.437 -1.530 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)cc1=O ZINC001267011779 785180978 /nfs/dbraw/zinc/18/09/78/785180978.db2.gz GUCWYUAZCNZUHV-JTQLQIEISA-N 1 0 343.409 -1.866 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001267012446 785180159 /nfs/dbraw/zinc/18/01/59/785180159.db2.gz NPGUTVIIZQLHFA-LBPRGKRZSA-N 1 0 328.413 -1.159 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001267012465 785180147 /nfs/dbraw/zinc/18/01/47/785180147.db2.gz ORIUTJSFVFAQPI-JTQLQIEISA-N 1 0 341.412 -1.076 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001267012509 785180473 /nfs/dbraw/zinc/18/04/73/785180473.db2.gz QVMSGPNGOIOTDT-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001267012834 785180799 /nfs/dbraw/zinc/18/07/99/785180799.db2.gz IEBXUNAUAVKDNE-ZETCQYMHSA-N 1 0 335.311 -1.986 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001267012860 785180088 /nfs/dbraw/zinc/18/00/88/785180088.db2.gz IVKDISPMWQEDEO-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001267012861 785180425 /nfs/dbraw/zinc/18/04/25/785180425.db2.gz IVKDISPMWQEDEO-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCOC(C)C)C1 ZINC001267013019 785180180 /nfs/dbraw/zinc/18/01/80/785180180.db2.gz PXMPPPZFTPEUCV-ZDUSSCGKSA-N 1 0 328.413 -1.146 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001267013056 785180447 /nfs/dbraw/zinc/18/04/47/785180447.db2.gz RKMSATBBSIMYSR-MNOVXSKESA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001267013057 785180301 /nfs/dbraw/zinc/18/03/01/785180301.db2.gz RKMSATBBSIMYSR-QWRGUYRKSA-N 1 0 332.426 -1.748 20 0 EAADRO NC(=O)NCCCCC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001267013636 785179970 /nfs/dbraw/zinc/17/99/70/785179970.db2.gz UYCVNBJHGPOGQV-QWRGUYRKSA-N 1 0 339.396 -1.179 20 0 EAADRO NC(=O)NCCCCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001267013637 785181059 /nfs/dbraw/zinc/18/10/59/785181059.db2.gz UYCVNBJHGPOGQV-WDEREUQCSA-N 1 0 339.396 -1.179 20 0 EAADRO COc1cnc(C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)nc1 ZINC001267013699 785180252 /nfs/dbraw/zinc/18/02/52/785180252.db2.gz XTIRMVHGSLBLSM-JTQLQIEISA-N 1 0 343.409 -1.162 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001267014461 785180713 /nfs/dbraw/zinc/18/07/13/785180713.db2.gz AWLBFLYHSWYWDD-ZDUSSCGKSA-N 1 0 349.453 -1.389 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001267015284 785180126 /nfs/dbraw/zinc/18/01/26/785180126.db2.gz SGPXYZIGTSLQPD-RYUDHWBXSA-N 1 0 346.453 -1.263 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H]([NH2+]CCCN3C(=O)CNC3=O)C2)n1 ZINC001267015325 785180017 /nfs/dbraw/zinc/18/00/17/785180017.db2.gz VFTQYCBMFQNYNB-VIFPVBQESA-N 1 0 336.356 -2.044 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)NC1CCOCC1 ZINC001267015333 785180990 /nfs/dbraw/zinc/18/09/90/785180990.db2.gz VOOPRZBCRFQRQR-QWHCGFSZSA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)NC1CCOCC1 ZINC001267015334 785180026 /nfs/dbraw/zinc/18/00/26/785180026.db2.gz VOOPRZBCRFQRQR-STQMWFEESA-N 1 0 338.408 -1.392 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)NC(=O)NC1CC1 ZINC001267015369 785181081 /nfs/dbraw/zinc/18/10/81/785181081.db2.gz WPEJAGGSUYVLPY-QWRGUYRKSA-N 1 0 337.380 -1.699 20 0 EAADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)NC(=O)NC1CC1 ZINC001267015370 785180096 /nfs/dbraw/zinc/18/00/96/785180096.db2.gz WPEJAGGSUYVLPY-WDEREUQCSA-N 1 0 337.380 -1.699 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001267015879 785181873 /nfs/dbraw/zinc/18/18/73/785181873.db2.gz WAAMJAXBLFTLMV-NSHDSACASA-N 1 0 334.442 -1.200 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001267016444 785181949 /nfs/dbraw/zinc/18/19/49/785181949.db2.gz UDFZDPSCMHFKLY-VIFPVBQESA-N 1 0 325.369 -1.617 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267016449 785181713 /nfs/dbraw/zinc/18/17/13/785181713.db2.gz UIXMFPZFVLUFLZ-QWRGUYRKSA-N 1 0 340.428 -1.044 20 0 EAADRO CC(C)(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001267016450 785181812 /nfs/dbraw/zinc/18/18/12/785181812.db2.gz UIXMFPZFVLUFLZ-WDEREUQCSA-N 1 0 340.428 -1.044 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001267016624 785181701 /nfs/dbraw/zinc/18/17/01/785181701.db2.gz HURXEMPFUJFQJY-NWDGAFQWSA-N 1 0 346.453 -1.406 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001267016626 785181834 /nfs/dbraw/zinc/18/18/34/785181834.db2.gz HURXEMPFUJFQJY-RYUDHWBXSA-N 1 0 346.453 -1.406 20 0 EAADRO COc1c(C(=O)N(C)CC[NH2+]CC(=O)N2CCOCC2)cnn1C ZINC001267017040 785181731 /nfs/dbraw/zinc/18/17/31/785181731.db2.gz DVRRWDLBPHGXHT-UHFFFAOYSA-N 1 0 339.396 -1.051 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001267018595 785181894 /nfs/dbraw/zinc/18/18/94/785181894.db2.gz DSIQSUUDZLUDNC-FZMZJTMJSA-N 1 0 346.453 -1.358 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001267018596 785181648 /nfs/dbraw/zinc/18/16/48/785181648.db2.gz DSIQSUUDZLUDNC-SMDDNHRTSA-N 1 0 346.453 -1.358 20 0 EAADRO COCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001267018830 785181804 /nfs/dbraw/zinc/18/18/04/785181804.db2.gz NUNNZLPETNFVII-RWMBFGLXSA-N 1 0 329.397 -1.127 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001267019331 785181600 /nfs/dbraw/zinc/18/16/00/785181600.db2.gz MNWZSDOTMPFTQT-NSHDSACASA-N 1 0 330.414 -1.523 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001267019854 785181674 /nfs/dbraw/zinc/18/16/74/785181674.db2.gz JTNCTYOVNUVYPJ-UHFFFAOYSA-N 1 0 331.442 -1.098 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001267019903 785181725 /nfs/dbraw/zinc/18/17/25/785181725.db2.gz LBOYSISJOUXPLK-LLVKDONJSA-N 1 0 344.441 -1.295 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N(C)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001267019904 785181639 /nfs/dbraw/zinc/18/16/39/785181639.db2.gz LBOYSISJOUXPLK-NSHDSACASA-N 1 0 344.441 -1.295 20 0 EAADRO Cc1nn(CC(=O)N(C)CC[NH2+]CC(=O)NC(C)(C)C)c(=O)n1C ZINC001267020252 785181858 /nfs/dbraw/zinc/18/18/58/785181858.db2.gz YUWHBRUNKBVXCB-UHFFFAOYSA-N 1 0 340.428 -1.147 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267020586 785181687 /nfs/dbraw/zinc/18/16/87/785181687.db2.gz KJJCMFROLBIWTA-NSHDSACASA-N 1 0 337.380 -1.747 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001267020690 785183333 /nfs/dbraw/zinc/18/33/33/785183333.db2.gz KBJQBYLSCLNAOJ-VIFPVBQESA-N 1 0 339.352 -2.266 20 0 EAADRO COCCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001267021103 785182521 /nfs/dbraw/zinc/18/25/21/785182521.db2.gz RHTNLBVJZSETML-JTQLQIEISA-N 1 0 326.353 -1.366 20 0 EAADRO COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001267021132 785182564 /nfs/dbraw/zinc/18/25/64/785182564.db2.gz RZLXSYJYPGPVSH-UWVGGRQHSA-N 1 0 326.353 -1.368 20 0 EAADRO COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001267021133 785183253 /nfs/dbraw/zinc/18/32/53/785183253.db2.gz RZLXSYJYPGPVSH-ZJUUUORDSA-N 1 0 326.353 -1.368 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001267021397 785182478 /nfs/dbraw/zinc/18/24/78/785182478.db2.gz DMWDIPDDPHXPGE-JTQLQIEISA-N 1 0 343.409 -1.533 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001267021398 785182998 /nfs/dbraw/zinc/18/29/98/785182998.db2.gz DMZOSLBBTUNHAZ-NSHDSACASA-N 1 0 330.414 -1.312 20 0 EAADRO CN(CC[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CC2)C1)S(C)(=O)=O ZINC001267021454 785183306 /nfs/dbraw/zinc/18/33/06/785183306.db2.gz HLISMDSXKQGHLX-LBPRGKRZSA-N 1 0 346.453 -1.406 20 0 EAADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1)C(=O)N(C)C ZINC001267022692 785182697 /nfs/dbraw/zinc/18/26/97/785182697.db2.gz MFGRWRQRDZYDNS-MNOVXSKESA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1)C(=O)N(C)C ZINC001267022693 785183154 /nfs/dbraw/zinc/18/31/54/785183154.db2.gz MFGRWRQRDZYDNS-QWRGUYRKSA-N 1 0 339.396 -1.452 20 0 EAADRO CN(C)C(=O)CCCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001267022704 785182541 /nfs/dbraw/zinc/18/25/41/785182541.db2.gz MPRVGVKYVQOVCL-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO COCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001267023001 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COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267025978 785183182 /nfs/dbraw/zinc/18/31/82/785183182.db2.gz ZWIXUEFJEIFKQN-WDEREUQCSA-N 1 0 328.369 -1.922 20 0 EAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CCOCC(F)F)C2)nn1 ZINC001267026103 785183265 /nfs/dbraw/zinc/18/32/65/785183265.db2.gz FSZOLOJJYKZLEL-VIFPVBQESA-N 1 0 346.338 -1.151 20 0 EAADRO CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001267027101 785182916 /nfs/dbraw/zinc/18/29/16/785182916.db2.gz UJIIASSZBSDNAY-NWDGAFQWSA-N 1 0 348.469 -1.126 20 0 EAADRO CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001267027105 785183348 /nfs/dbraw/zinc/18/33/48/785183348.db2.gz UJIIASSZBSDNAY-RYUDHWBXSA-N 1 0 348.469 -1.126 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001267027128 785183171 /nfs/dbraw/zinc/18/31/71/785183171.db2.gz UYRIVBGBNMXDSX-QWRGUYRKSA-N 1 0 347.441 -1.731 20 0 EAADRO COCC(=O)N1CC[C@H](C[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001267027974 785182531 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EAADRO CS(=O)(=O)CC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267029686 785182450 /nfs/dbraw/zinc/18/24/50/785182450.db2.gz GBPULYKYXJBRAG-LLVKDONJSA-N 1 0 345.421 -1.382 20 0 EAADRO CS(=O)(=O)CC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267029687 785183224 /nfs/dbraw/zinc/18/32/24/785183224.db2.gz GBPULYKYXJBRAG-NSHDSACASA-N 1 0 345.421 -1.382 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001267031319 785182570 /nfs/dbraw/zinc/18/25/70/785182570.db2.gz UNRAICCIULRYGU-CYBMUJFWSA-N 1 0 348.469 -1.206 20 0 EAADRO CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001267031325 785182579 /nfs/dbraw/zinc/18/25/79/785182579.db2.gz UNRAICCIULRYGU-ZDUSSCGKSA-N 1 0 348.469 -1.206 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001267033513 785183269 /nfs/dbraw/zinc/18/32/69/785183269.db2.gz VTKYCGPMNUQCOV-GHMZBOCLSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001267033515 785183179 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CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001267035502 785184085 /nfs/dbraw/zinc/18/40/85/785184085.db2.gz KERBQDWOWYUBGB-NEPJUHHUSA-N 1 0 346.453 -1.500 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001267035503 785184074 /nfs/dbraw/zinc/18/40/74/785184074.db2.gz KERBQDWOWYUBGB-NWDGAFQWSA-N 1 0 346.453 -1.500 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001267035504 785183874 /nfs/dbraw/zinc/18/38/74/785183874.db2.gz KERBQDWOWYUBGB-RYUDHWBXSA-N 1 0 346.453 -1.500 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001267035505 785184768 /nfs/dbraw/zinc/18/47/68/785184768.db2.gz KERBQDWOWYUBGB-VXGBXAGGSA-N 1 0 346.453 -1.500 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCN(C(=O)CC(N)=O)C2)CCO1 ZINC001267035576 785184458 /nfs/dbraw/zinc/18/44/58/785184458.db2.gz ORYQTQOUFZMJLH-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCN(C(=O)CC(N)=O)C2)CCO1 ZINC001267035577 785184651 /nfs/dbraw/zinc/18/46/51/785184651.db2.gz ORYQTQOUFZMJLH-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCN(C(=O)CC(N)=O)C2)CCO1 ZINC001267035578 785184784 /nfs/dbraw/zinc/18/47/84/785184784.db2.gz ORYQTQOUFZMJLH-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCN(C(=O)CC(N)=O)C2)CCO1 ZINC001267035579 785184496 /nfs/dbraw/zinc/18/44/96/785184496.db2.gz ORYQTQOUFZMJLH-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267035604 785184685 /nfs/dbraw/zinc/18/46/85/785184685.db2.gz PMAMPSRCADCFQS-GHMZBOCLSA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267035605 785184699 /nfs/dbraw/zinc/18/46/99/785184699.db2.gz PMAMPSRCADCFQS-MNOVXSKESA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267035606 785183739 /nfs/dbraw/zinc/18/37/39/785183739.db2.gz PMAMPSRCADCFQS-QWRGUYRKSA-N 1 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ZINC001267036014 785184734 /nfs/dbraw/zinc/18/47/34/785184734.db2.gz OIFKYVIHZGJSQZ-AWEZNQCLSA-N 1 0 339.440 -1.218 20 0 EAADRO O=C(CN1CCOCC1)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001267036015 785184428 /nfs/dbraw/zinc/18/44/28/785184428.db2.gz OIFKYVIHZGJSQZ-CQSZACIVSA-N 1 0 339.440 -1.218 20 0 EAADRO COCCOCC(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001267036536 785184275 /nfs/dbraw/zinc/18/42/75/785184275.db2.gz UWZJCDHVNXULKI-LLVKDONJSA-N 1 0 327.385 -1.291 20 0 EAADRO COCCOCC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001267036537 785183648 /nfs/dbraw/zinc/18/36/48/785183648.db2.gz UWZJCDHVNXULKI-NSHDSACASA-N 1 0 327.385 -1.291 20 0 EAADRO COCCOCC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001267036803 785184256 /nfs/dbraw/zinc/18/42/56/785184256.db2.gz WYHFLDBWWIRCHL-AWEZNQCLSA-N 1 0 343.424 -1.054 20 0 EAADRO COCCOCC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001267036804 785184788 /nfs/dbraw/zinc/18/47/88/785184788.db2.gz WYHFLDBWWIRCHL-CQSZACIVSA-N 1 0 343.424 -1.054 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCN(C(=O)c2cnnn2C)C1)S(C)(=O)=O ZINC001267037324 785184720 /nfs/dbraw/zinc/18/47/20/785184720.db2.gz BYNBECJQQWDITM-LLVKDONJSA-N 1 0 344.441 -1.242 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCN(C(=O)c2cnnn2C)C1)S(C)(=O)=O ZINC001267037325 785184751 /nfs/dbraw/zinc/18/47/51/785184751.db2.gz BYNBECJQQWDITM-NSHDSACASA-N 1 0 344.441 -1.242 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)o1 ZINC001267037904 785184320 /nfs/dbraw/zinc/18/43/20/785184320.db2.gz NZQHEEYGSUSTFW-LLVKDONJSA-N 1 0 345.425 -1.092 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)o1 ZINC001267037905 785184742 /nfs/dbraw/zinc/18/47/42/785184742.db2.gz NZQHEEYGSUSTFW-NSHDSACASA-N 1 0 345.425 -1.092 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@H](C[NH2+]CCCN3C(=O)CNC3=O)C2)n1 ZINC001267038448 785183641 /nfs/dbraw/zinc/18/36/41/785183641.db2.gz CWCNYEBJVYIERH-LLVKDONJSA-N 1 0 349.395 -1.191 20 0 EAADRO Cn1cnc(C(=O)N2CC[C@@H](C[NH2+]CCCN3C(=O)CNC3=O)C2)n1 ZINC001267038449 785184332 /nfs/dbraw/zinc/18/43/32/785184332.db2.gz CWCNYEBJVYIERH-NSHDSACASA-N 1 0 349.395 -1.191 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001267038772 785184546 /nfs/dbraw/zinc/18/45/46/785184546.db2.gz YZFFNCXWIGZMSO-LLVKDONJSA-N 1 0 339.396 -1.498 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001267038773 785184645 /nfs/dbraw/zinc/18/46/45/785184645.db2.gz YZFFNCXWIGZMSO-NSHDSACASA-N 1 0 339.396 -1.498 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001267039340 785183724 /nfs/dbraw/zinc/18/37/24/785183724.db2.gz QBDNYDHYKFFDCP-GFCCVEGCSA-N 1 0 344.441 -1.345 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001267039341 785184770 /nfs/dbraw/zinc/18/47/70/785184770.db2.gz QBDNYDHYKFFDCP-LBPRGKRZSA-N 1 0 344.441 -1.345 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001267039546 785184344 /nfs/dbraw/zinc/18/43/44/785184344.db2.gz TZISVMANTGCBFU-GFCCVEGCSA-N 1 0 340.428 -1.231 20 0 EAADRO CNC(=O)NCCC(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001267039547 785183764 /nfs/dbraw/zinc/18/37/64/785183764.db2.gz TZISVMANTGCBFU-LBPRGKRZSA-N 1 0 340.428 -1.231 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)[nH]1 ZINC001267039858 785184708 /nfs/dbraw/zinc/18/47/08/785184708.db2.gz ZFIIBEOZSKVHHL-LLVKDONJSA-N 1 0 344.441 -1.357 20 0 EAADRO Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)[nH]1 ZINC001267039859 785184747 /nfs/dbraw/zinc/18/47/47/785184747.db2.gz ZFIIBEOZSKVHHL-NSHDSACASA-N 1 0 344.441 -1.357 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)CN1C(=O)CNC1=O ZINC001267039934 785184702 /nfs/dbraw/zinc/18/47/02/785184702.db2.gz ATYQZZWTRZIYQW-UHFFFAOYSA-N 1 0 339.396 -1.401 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001267040003 785183795 /nfs/dbraw/zinc/18/37/95/785183795.db2.gz DNJOIELLDVTPPS-UHFFFAOYSA-N 1 0 327.385 -1.547 20 0 EAADRO C[C@H](CC(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1)NC(N)=O ZINC001267040076 785184021 /nfs/dbraw/zinc/18/40/21/785184021.db2.gz BJUQFTDCQHSKKT-GHMZBOCLSA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@H](CC(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1)NC(N)=O ZINC001267040077 785184759 /nfs/dbraw/zinc/18/47/59/785184759.db2.gz BJUQFTDCQHSKKT-MNOVXSKESA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1)NC(N)=O ZINC001267040078 785184312 /nfs/dbraw/zinc/18/43/12/785184312.db2.gz BJUQFTDCQHSKKT-QWRGUYRKSA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@@H](CC(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1)NC(N)=O ZINC001267040079 785184596 /nfs/dbraw/zinc/18/45/96/785184596.db2.gz BJUQFTDCQHSKKT-WDEREUQCSA-N 1 0 334.442 -1.084 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1ccon1)C(=O)CN1C(=O)CNC1=O ZINC001267040110 785184474 /nfs/dbraw/zinc/18/44/74/785184474.db2.gz FEOYJAPNUCTAIA-UHFFFAOYSA-N 1 0 338.324 -1.787 20 0 EAADRO CCCNC(=O)C[NH2+]CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001267040126 785183981 /nfs/dbraw/zinc/18/39/81/785183981.db2.gz FMPCBZDCEVUQJW-UHFFFAOYSA-N 1 0 327.385 -1.545 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)Cn1cncn1 ZINC001267040153 785184061 /nfs/dbraw/zinc/18/40/61/785184061.db2.gz GHTMGKDHSXVCCQ-GFCCVEGCSA-N 1 0 344.441 -1.392 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)Cn1cncn1 ZINC001267040154 785184443 /nfs/dbraw/zinc/18/44/43/785184443.db2.gz GHTMGKDHSXVCCQ-LBPRGKRZSA-N 1 0 344.441 -1.392 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267040189 785183960 /nfs/dbraw/zinc/18/39/60/785183960.db2.gz HMBNGAYHLHUETH-JTQLQIEISA-N 1 0 327.385 -1.453 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001267040190 785183623 /nfs/dbraw/zinc/18/36/23/785183623.db2.gz HMBNGAYHLHUETH-SNVBAGLBSA-N 1 0 327.385 -1.453 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)CN1C(=O)CNC1=O ZINC001267040235 785184451 /nfs/dbraw/zinc/18/44/51/785184451.db2.gz JFHKIQXNQSCXMM-UHFFFAOYSA-N 1 0 339.352 -2.265 20 0 EAADRO COc1ccc(C[NH2+]CCN(C)C(=O)CN2C(=O)CNC2=O)nn1 ZINC001267040243 785183912 /nfs/dbraw/zinc/18/39/12/785183912.db2.gz JQMMSTKPQFCNAX-UHFFFAOYSA-N 1 0 336.352 -1.415 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)CN1C(=O)CNC1=O ZINC001267040422 785184132 /nfs/dbraw/zinc/18/41/32/785184132.db2.gz MUKDBUUBSZZRDS-UHFFFAOYSA-N 1 0 349.413 -2.522 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267040428 785184715 /nfs/dbraw/zinc/18/47/15/785184715.db2.gz NBIPSGJOIVVKBY-JTQLQIEISA-N 1 0 327.385 -1.499 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267040429 785184403 /nfs/dbraw/zinc/18/44/03/785184403.db2.gz NBIPSGJOIVVKBY-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)CNC1=O ZINC001267040500 785184521 /nfs/dbraw/zinc/18/45/21/785184521.db2.gz QBNKCVJKGLMDFA-JTQLQIEISA-N 1 0 346.409 -1.979 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)CNC1=O ZINC001267040501 785183752 /nfs/dbraw/zinc/18/37/52/785183752.db2.gz QBNKCVJKGLMDFA-SNVBAGLBSA-N 1 0 346.409 -1.979 20 0 EAADRO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN1C(=O)CNC1=O ZINC001267040586 785184179 /nfs/dbraw/zinc/18/41/79/785184179.db2.gz QWRHHXJBUJGTCQ-UHFFFAOYSA-N 1 0 335.364 -1.515 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001267040659 785184003 /nfs/dbraw/zinc/18/40/03/785184003.db2.gz SKVGJJWPZRFJJO-UHFFFAOYSA-N 1 0 327.385 -1.593 20 0 EAADRO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001267040737 785183885 /nfs/dbraw/zinc/18/38/85/785183885.db2.gz WMMYVOPRMMBZAN-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267040738 785183681 /nfs/dbraw/zinc/18/36/81/785183681.db2.gz WMMYVOPRMMBZAN-UWVGGRQHSA-N 1 0 325.369 -1.699 20 0 EAADRO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001267040739 785183777 /nfs/dbraw/zinc/18/37/77/785183777.db2.gz WMMYVOPRMMBZAN-VHSXEESVSA-N 1 0 325.369 -1.699 20 0 EAADRO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267040740 785184506 /nfs/dbraw/zinc/18/45/06/785184506.db2.gz WMMYVOPRMMBZAN-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267040844 785184691 /nfs/dbraw/zinc/18/46/91/785184691.db2.gz YYKVTYBQRXVTKO-UHFFFAOYSA-N 1 0 328.329 -2.958 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001267040862 785184622 /nfs/dbraw/zinc/18/46/22/785184622.db2.gz HWLKLBBEIKQWJS-LLVKDONJSA-N 1 0 344.437 -1.506 20 0 EAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001267040864 785184465 /nfs/dbraw/zinc/18/44/65/785184465.db2.gz HWLKLBBEIKQWJS-NSHDSACASA-N 1 0 344.437 -1.506 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001267044584 785184169 /nfs/dbraw/zinc/18/41/69/785184169.db2.gz JUMYSRLEVICAOF-NEPJUHHUSA-N 1 0 331.438 -1.005 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001267044586 785183713 /nfs/dbraw/zinc/18/37/13/785183713.db2.gz JUMYSRLEVICAOF-NWDGAFQWSA-N 1 0 331.438 -1.005 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001267044588 785184095 /nfs/dbraw/zinc/18/40/95/785184095.db2.gz JUMYSRLEVICAOF-RYUDHWBXSA-N 1 0 331.438 -1.005 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001267044589 785183666 /nfs/dbraw/zinc/18/36/66/785183666.db2.gz JUMYSRLEVICAOF-VXGBXAGGSA-N 1 0 331.438 -1.005 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267044779 785184765 /nfs/dbraw/zinc/18/47/65/785184765.db2.gz KNUFPBFPFZBZNW-UWVGGRQHSA-N 1 0 325.369 -1.889 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267044780 785184043 /nfs/dbraw/zinc/18/40/43/785184043.db2.gz KNUFPBFPFZBZNW-ZJUUUORDSA-N 1 0 325.369 -1.889 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267045423 785184786 /nfs/dbraw/zinc/18/47/86/785184786.db2.gz PWNZTYNAMXEINI-AXFHLTTASA-N 1 0 328.369 -1.970 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267045425 785184556 /nfs/dbraw/zinc/18/45/56/785184556.db2.gz PWNZTYNAMXEINI-DCAQKATOSA-N 1 0 328.369 -1.970 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267045428 785185737 /nfs/dbraw/zinc/18/57/37/785185737.db2.gz PWNZTYNAMXEINI-MXWKQRLJSA-N 1 0 328.369 -1.970 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267045430 785185162 /nfs/dbraw/zinc/18/51/62/785185162.db2.gz PWNZTYNAMXEINI-VWYCJHECSA-N 1 0 328.369 -1.970 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001267045983 785185331 /nfs/dbraw/zinc/18/53/31/785185331.db2.gz VYQYCKFGKSJXBS-GHMZBOCLSA-N 1 0 339.396 -1.594 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001267045984 785185656 /nfs/dbraw/zinc/18/56/56/785185656.db2.gz VYQYCKFGKSJXBS-MNOVXSKESA-N 1 0 339.396 -1.594 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001267045985 785185673 /nfs/dbraw/zinc/18/56/73/785185673.db2.gz VYQYCKFGKSJXBS-QWRGUYRKSA-N 1 0 339.396 -1.594 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001267045986 785185112 /nfs/dbraw/zinc/18/51/12/785185112.db2.gz VYQYCKFGKSJXBS-WDEREUQCSA-N 1 0 339.396 -1.594 20 0 EAADRO Cn1nnc(CNC[C@H]2CCN(C(=O)C(=O)NCC(F)F)C2)n1 ZINC001267047325 785185447 /nfs/dbraw/zinc/18/54/47/785185447.db2.gz JSIXCMBCSQAQNQ-MRVPVSSYSA-N 1 0 331.327 -1.471 20 0 EAADRO Cn1nnc(CNC[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C2)n1 ZINC001267047326 785185468 /nfs/dbraw/zinc/18/54/68/785185468.db2.gz JSIXCMBCSQAQNQ-QMMMGPOBSA-N 1 0 331.327 -1.471 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)Cn1ccccc1=O ZINC001267051488 785185679 /nfs/dbraw/zinc/18/56/79/785185679.db2.gz LCXZGUUJBLDMOU-UHFFFAOYSA-N 1 0 335.364 -1.552 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001267054187 785185459 /nfs/dbraw/zinc/18/54/59/785185459.db2.gz XCNDIDFYHXZWJB-AWEZNQCLSA-N 1 0 334.424 -1.247 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CC[C@H](C[NH2+]CCn2cccn2)C1 ZINC001267054188 785185615 /nfs/dbraw/zinc/18/56/15/785185615.db2.gz XCNDIDFYHXZWJB-CQSZACIVSA-N 1 0 334.424 -1.247 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001267054458 785185376 /nfs/dbraw/zinc/18/53/76/785185376.db2.gz CAEVPEIRJRELLD-LLVKDONJSA-N 1 0 339.400 -1.586 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001267054459 785185215 /nfs/dbraw/zinc/18/52/15/785185215.db2.gz CAEVPEIRJRELLD-NSHDSACASA-N 1 0 339.400 -1.586 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001267054474 785185545 /nfs/dbraw/zinc/18/55/45/785185545.db2.gz CLOCAYYLSIWPOB-NXEZZACHSA-N 1 0 325.369 -1.902 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001267054475 785185667 /nfs/dbraw/zinc/18/56/67/785185667.db2.gz CLOCAYYLSIWPOB-UWVGGRQHSA-N 1 0 325.369 -1.902 20 0 EAADRO CN1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001267054476 785185692 /nfs/dbraw/zinc/18/56/92/785185692.db2.gz CLOCAYYLSIWPOB-VHSXEESVSA-N 1 0 325.369 -1.902 20 0 EAADRO CN1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1=O ZINC001267054477 785185642 /nfs/dbraw/zinc/18/56/42/785185642.db2.gz CLOCAYYLSIWPOB-ZJUUUORDSA-N 1 0 325.369 -1.902 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]CCN3C(=O)CCC3=O)C2)n1 ZINC001267055256 785185745 /nfs/dbraw/zinc/18/57/45/785185745.db2.gz KLCUGTXRQIWGRE-JTQLQIEISA-N 1 0 335.368 -1.589 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[NH2+]CCN3C(=O)CCC3=O)C2)n1 ZINC001267055260 785185139 /nfs/dbraw/zinc/18/51/39/785185139.db2.gz KLCUGTXRQIWGRE-SNVBAGLBSA-N 1 0 335.368 -1.589 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001267055512 785185074 /nfs/dbraw/zinc/18/50/74/785185074.db2.gz JNWYQYDZEPJSGL-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO CC1(C)NC(=O)N(CCC[NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001267055513 785185149 /nfs/dbraw/zinc/18/51/49/785185149.db2.gz JNWYQYDZEPJSGL-SNVBAGLBSA-N 1 0 339.396 -1.370 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001267055952 785185395 /nfs/dbraw/zinc/18/53/95/785185395.db2.gz RGXNQXNEOHMFNV-SECBINFHSA-N 1 0 331.402 -2.189 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001267055957 785185201 /nfs/dbraw/zinc/18/52/01/785185201.db2.gz RGXNQXNEOHMFNV-VIFPVBQESA-N 1 0 331.402 -2.189 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001267056214 785185339 /nfs/dbraw/zinc/18/53/39/785185339.db2.gz PFKXEOLPUQUJNK-NXEZZACHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001267056215 785185407 /nfs/dbraw/zinc/18/54/07/785185407.db2.gz PFKXEOLPUQUJNK-UWVGGRQHSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001267056216 785185123 /nfs/dbraw/zinc/18/51/23/785185123.db2.gz PFKXEOLPUQUJNK-VHSXEESVSA-N 1 0 341.412 -1.077 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)NC(=O)NC(C)(C)C ZINC001267056217 785185489 /nfs/dbraw/zinc/18/54/89/785185489.db2.gz PFKXEOLPUQUJNK-ZJUUUORDSA-N 1 0 341.412 -1.077 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001267056256 785185366 /nfs/dbraw/zinc/18/53/66/785185366.db2.gz QCEOOQVZOPNCKE-LLVKDONJSA-N 1 0 336.396 -1.101 20 0 EAADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001267056257 785185322 /nfs/dbraw/zinc/18/53/22/785185322.db2.gz QCEOOQVZOPNCKE-NSHDSACASA-N 1 0 336.396 -1.101 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H](C[NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001267056450 785186784 /nfs/dbraw/zinc/18/67/84/785186784.db2.gz QYUFGGLOLXLHON-JTQLQIEISA-N 1 0 337.380 -1.758 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@H](C[NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001267056452 785187175 /nfs/dbraw/zinc/18/71/75/785187175.db2.gz QYUFGGLOLXLHON-SNVBAGLBSA-N 1 0 337.380 -1.758 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@H](C[NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001267056676 785187004 /nfs/dbraw/zinc/18/70/04/785187004.db2.gz SIINWFWHZGAMQY-LLVKDONJSA-N 1 0 336.392 -1.161 20 0 EAADRO NC(=O)C1(C(=O)N2CC[C@@H](C[NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001267056677 785186428 /nfs/dbraw/zinc/18/64/28/785186428.db2.gz SIINWFWHZGAMQY-NSHDSACASA-N 1 0 336.392 -1.161 20 0 EAADRO COCC[NH2+]C[C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001267057078 785186417 /nfs/dbraw/zinc/18/64/17/785186417.db2.gz AWBBAJKENLNQEW-SECBINFHSA-N 1 0 331.398 -1.245 20 0 EAADRO COCC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001267057079 785186203 /nfs/dbraw/zinc/18/62/03/785186203.db2.gz AWBBAJKENLNQEW-VIFPVBQESA-N 1 0 331.398 -1.245 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001267058170 785187200 /nfs/dbraw/zinc/18/72/00/785187200.db2.gz IAZQQMQGSNERAA-LLVKDONJSA-N 1 0 344.441 -1.275 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001267058171 785187055 /nfs/dbraw/zinc/18/70/55/785187055.db2.gz IAZQQMQGSNERAA-NSHDSACASA-N 1 0 344.441 -1.275 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001267058212 785186287 /nfs/dbraw/zinc/18/62/87/785186287.db2.gz IXBOIJZNPXMZGK-TUAOUCFPSA-N 1 0 331.438 -1.019 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001267058213 785186664 /nfs/dbraw/zinc/18/66/64/785186664.db2.gz IXBOIJZNPXMZGK-UTUOFQBUSA-N 1 0 331.438 -1.019 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001267060117 785186640 /nfs/dbraw/zinc/18/66/40/785186640.db2.gz DICRHCCAYRYUQO-JTQLQIEISA-N 1 0 330.414 -1.204 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001267060119 785186251 /nfs/dbraw/zinc/18/62/51/785186251.db2.gz DICRHCCAYRYUQO-SNVBAGLBSA-N 1 0 330.414 -1.204 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001267060377 785187219 /nfs/dbraw/zinc/18/72/19/785187219.db2.gz FXMUABRMEDIBGD-GFCCVEGCSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001267060379 785186192 /nfs/dbraw/zinc/18/61/92/785186192.db2.gz FXMUABRMEDIBGD-LBPRGKRZSA-N 1 0 348.469 -1.112 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001267061739 785186768 /nfs/dbraw/zinc/18/67/68/785186768.db2.gz RYUXCRCIANYHOA-SECBINFHSA-N 1 0 325.369 -1.854 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001267061741 785186985 /nfs/dbraw/zinc/18/69/85/785186985.db2.gz RYUXCRCIANYHOA-VIFPVBQESA-N 1 0 325.369 -1.854 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001267062408 785186954 /nfs/dbraw/zinc/18/69/54/785186954.db2.gz YBWBWXHBHGFPHV-LLVKDONJSA-N 1 0 331.438 -1.005 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001267062409 785186245 /nfs/dbraw/zinc/18/62/45/785186245.db2.gz YBWBWXHBHGFPHV-NSHDSACASA-N 1 0 331.438 -1.005 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@H](C[NH2+]CCN3CCNC3=O)C2)CC1 ZINC001267062430 785186961 /nfs/dbraw/zinc/18/69/61/785186961.db2.gz YLJOERBIABBYRM-GFCCVEGCSA-N 1 0 337.424 -1.024 20 0 EAADRO CNC(=O)C1(C(=O)N2CC[C@@H](C[NH2+]CCN3CCNC3=O)C2)CC1 ZINC001267062431 785186531 /nfs/dbraw/zinc/18/65/31/785186531.db2.gz YLJOERBIABBYRM-LBPRGKRZSA-N 1 0 337.424 -1.024 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001267063828 785187142 /nfs/dbraw/zinc/18/71/42/785187142.db2.gz XXTMUBBGGUXMFI-LLVKDONJSA-N 1 0 345.429 -1.950 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001267063829 785186992 /nfs/dbraw/zinc/18/69/92/785186992.db2.gz XXTMUBBGGUXMFI-NSHDSACASA-N 1 0 345.429 -1.950 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1)S(C)(=O)=O ZINC001267064156 785186403 /nfs/dbraw/zinc/18/64/03/785186403.db2.gz DCAPSNKFOMFKIX-LLVKDONJSA-N 1 0 344.441 -1.323 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)S(C)(=O)=O ZINC001267064157 785186295 /nfs/dbraw/zinc/18/62/95/785186295.db2.gz DCAPSNKFOMFKIX-NSHDSACASA-N 1 0 344.441 -1.323 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001267065066 785187152 /nfs/dbraw/zinc/18/71/52/785187152.db2.gz PWMXREZHHGFJBQ-JTQLQIEISA-N 1 0 330.414 -1.666 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001267065067 785186363 /nfs/dbraw/zinc/18/63/63/785186363.db2.gz PWMXREZHHGFJBQ-SNVBAGLBSA-N 1 0 330.414 -1.666 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001267065534 785187133 /nfs/dbraw/zinc/18/71/33/785187133.db2.gz VITNLEKNKSJKPG-NEPJUHHUSA-N 1 0 339.400 -2.002 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001267065535 785187249 /nfs/dbraw/zinc/18/72/49/785187249.db2.gz VITNLEKNKSJKPG-VXGBXAGGSA-N 1 0 339.400 -2.002 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001267065928 785187244 /nfs/dbraw/zinc/18/72/44/785187244.db2.gz AHZHPFMVTMVTES-LLVKDONJSA-N 1 0 345.421 -1.382 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001267065930 785186737 /nfs/dbraw/zinc/18/67/37/785186737.db2.gz AHZHPFMVTMVTES-NSHDSACASA-N 1 0 345.421 -1.382 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267067136 785186754 /nfs/dbraw/zinc/18/67/54/785186754.db2.gz MIPRJRGKODUZRH-GFCCVEGCSA-N 1 0 348.407 -1.048 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267067137 785186322 /nfs/dbraw/zinc/18/63/22/785186322.db2.gz MIPRJRGKODUZRH-LBPRGKRZSA-N 1 0 348.407 -1.048 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267068034 785186946 /nfs/dbraw/zinc/18/69/46/785186946.db2.gz UQTIHHFSGQHNSE-LLVKDONJSA-N 1 0 339.396 -1.498 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267068035 785187162 /nfs/dbraw/zinc/18/71/62/785187162.db2.gz UQTIHHFSGQHNSE-NSHDSACASA-N 1 0 339.396 -1.498 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267068614 785186876 /nfs/dbraw/zinc/18/68/76/785186876.db2.gz YXFRDVZDEVOFPE-NXEZZACHSA-N 1 0 325.369 -1.889 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267068616 785186892 /nfs/dbraw/zinc/18/68/92/785186892.db2.gz YXFRDVZDEVOFPE-UWVGGRQHSA-N 1 0 325.369 -1.889 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267068618 785186441 /nfs/dbraw/zinc/18/64/41/785186441.db2.gz YXFRDVZDEVOFPE-VHSXEESVSA-N 1 0 325.369 -1.889 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267068620 785186395 /nfs/dbraw/zinc/18/63/95/785186395.db2.gz YXFRDVZDEVOFPE-ZJUUUORDSA-N 1 0 325.369 -1.889 20 0 EAADRO COCC[NH2+]C[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001267068842 785187192 /nfs/dbraw/zinc/18/71/92/785187192.db2.gz JOMVAZAFIYIXBB-CYBMUJFWSA-N 1 0 333.454 -1.199 20 0 EAADRO COCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001267068843 785187078 /nfs/dbraw/zinc/18/70/78/785187078.db2.gz JOMVAZAFIYIXBB-ZDUSSCGKSA-N 1 0 333.454 -1.199 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001267069020 785186849 /nfs/dbraw/zinc/18/68/49/785186849.db2.gz NHFXXEFDTGNGJK-GFCCVEGCSA-N 1 0 334.380 -1.135 20 0 EAADRO O=C(CN1C(=O)CCC1=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001267069021 785186699 /nfs/dbraw/zinc/18/66/99/785186699.db2.gz NHFXXEFDTGNGJK-LBPRGKRZSA-N 1 0 334.380 -1.135 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCN(C(=O)CCNC(N)=O)C1)S(C)(=O)=O ZINC001267069120 785186862 /nfs/dbraw/zinc/18/68/62/785186862.db2.gz PBXSPXHLNQBFAH-LLVKDONJSA-N 1 0 349.457 -1.626 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCN(C(=O)CCNC(N)=O)C1)S(C)(=O)=O ZINC001267069121 785187169 /nfs/dbraw/zinc/18/71/69/785187169.db2.gz PBXSPXHLNQBFAH-NSHDSACASA-N 1 0 349.457 -1.626 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001267069232 785187273 /nfs/dbraw/zinc/18/72/73/785187273.db2.gz REPUMZYSSUXYAH-LLVKDONJSA-N 1 0 326.401 -1.492 20 0 EAADRO NC(=O)NCCC(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001267069233 785187295 /nfs/dbraw/zinc/18/72/95/785187295.db2.gz REPUMZYSSUXYAH-NSHDSACASA-N 1 0 326.401 -1.492 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001267069446 785186973 /nfs/dbraw/zinc/18/69/73/785186973.db2.gz WSGKSUUGJSXQED-LLVKDONJSA-N 1 0 339.396 -1.498 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001267069447 785186573 /nfs/dbraw/zinc/18/65/73/785186573.db2.gz WSGKSUUGJSXQED-NSHDSACASA-N 1 0 339.396 -1.498 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001267069496 785186301 /nfs/dbraw/zinc/18/63/01/785186301.db2.gz XXFCSZAHCGQPLV-LLVKDONJSA-N 1 0 334.442 -1.082 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001267069497 785186469 /nfs/dbraw/zinc/18/64/69/785186469.db2.gz XXFCSZAHCGQPLV-NSHDSACASA-N 1 0 334.442 -1.082 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001267071044 785187655 /nfs/dbraw/zinc/18/76/55/785187655.db2.gz CDPGCXQUZVRYDI-UHFFFAOYSA-N 1 0 348.469 -1.711 20 0 EAADRO CNC(=O)CCCCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001267071673 785188265 /nfs/dbraw/zinc/18/82/65/785188265.db2.gz WLDWXENCBASADT-LLVKDONJSA-N 1 0 341.412 -1.074 20 0 EAADRO CNC(=O)CCCCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001267071674 785188320 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O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@@H](C[NH2+]CCOCCO)C1 ZINC001267072967 785188167 /nfs/dbraw/zinc/18/81/67/785188167.db2.gz LYQCSAZVRISVQR-RYUDHWBXSA-N 1 0 327.381 -1.514 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H](C[NH2+]CCOCCO)C1 ZINC001267072968 785187819 /nfs/dbraw/zinc/18/78/19/785187819.db2.gz LYQCSAZVRISVQR-VXGBXAGGSA-N 1 0 327.381 -1.514 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001267080121 785189578 /nfs/dbraw/zinc/18/95/78/785189578.db2.gz WINFWMLWXMXEAQ-GHMZBOCLSA-N 1 0 339.396 -2.163 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001267080122 785189079 /nfs/dbraw/zinc/18/90/79/785189079.db2.gz WINFWMLWXMXEAQ-MNOVXSKESA-N 1 0 339.396 -2.163 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001267080123 785189558 /nfs/dbraw/zinc/18/95/58/785189558.db2.gz WINFWMLWXMXEAQ-QWRGUYRKSA-N 1 0 339.396 -2.163 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001267080124 785189452 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EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]CCCO)C1 ZINC001267083722 785190553 /nfs/dbraw/zinc/19/05/53/785190553.db2.gz BBLSJFFPXFAQRE-STQMWFEESA-N 1 0 328.413 -1.362 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001267083823 785190711 /nfs/dbraw/zinc/19/07/11/785190711.db2.gz COSZCNXLKBIXIW-NXEZZACHSA-N 1 0 330.414 -1.016 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001267083824 785190425 /nfs/dbraw/zinc/19/04/25/785190425.db2.gz COSZCNXLKBIXIW-UWVGGRQHSA-N 1 0 330.414 -1.016 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001267083825 785190812 /nfs/dbraw/zinc/19/08/12/785190812.db2.gz COSZCNXLKBIXIW-VHSXEESVSA-N 1 0 330.414 -1.016 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001267083826 785190827 /nfs/dbraw/zinc/19/08/27/785190827.db2.gz COSZCNXLKBIXIW-ZJUUUORDSA-N 1 0 330.414 -1.016 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001267086015 785190475 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20 0 EAADRO NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267087221 785190745 /nfs/dbraw/zinc/19/07/45/785190745.db2.gz DFLQTYFSBVNHCL-QWRGUYRKSA-N 1 0 337.380 -1.571 20 0 EAADRO NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267087222 785190332 /nfs/dbraw/zinc/19/03/32/785190332.db2.gz DFLQTYFSBVNHCL-WDEREUQCSA-N 1 0 337.380 -1.571 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001267087795 785190758 /nfs/dbraw/zinc/19/07/58/785190758.db2.gz VRTDVBDJIAJJKN-NEPJUHHUSA-N 1 0 326.397 -1.216 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001267087796 785190905 /nfs/dbraw/zinc/19/09/05/785190905.db2.gz VRTDVBDJIAJJKN-NWDGAFQWSA-N 1 0 326.397 -1.216 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001267087797 785190240 /nfs/dbraw/zinc/19/02/40/785190240.db2.gz VRTDVBDJIAJJKN-RYUDHWBXSA-N 1 0 326.397 -1.216 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001267087798 785190838 /nfs/dbraw/zinc/19/08/38/785190838.db2.gz VRTDVBDJIAJJKN-VXGBXAGGSA-N 1 0 326.397 -1.216 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267089583 785190597 /nfs/dbraw/zinc/19/05/97/785190597.db2.gz JLXKKPDKXYKOBI-LLVKDONJSA-N 1 0 332.426 -1.748 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267089584 785190252 /nfs/dbraw/zinc/19/02/52/785190252.db2.gz JLXKKPDKXYKOBI-NSHDSACASA-N 1 0 332.426 -1.748 20 0 EAADRO CCn1nncc1C[NH2+]CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267089678 785190783 /nfs/dbraw/zinc/19/07/83/785190783.db2.gz LAJUGMXBRJXDKN-LLVKDONJSA-N 1 0 330.414 -1.462 20 0 EAADRO CCn1nncc1C[NH2+]CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267089680 785190435 /nfs/dbraw/zinc/19/04/35/785190435.db2.gz LAJUGMXBRJXDKN-NSHDSACASA-N 1 0 330.414 -1.462 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001267090330 785190452 /nfs/dbraw/zinc/19/04/52/785190452.db2.gz PLLSYKDWAVMUTD-JTQLQIEISA-N 1 0 341.455 -1.982 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001267090338 785190702 /nfs/dbraw/zinc/19/07/02/785190702.db2.gz PLLSYKDWAVMUTD-SNVBAGLBSA-N 1 0 341.455 -1.982 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267090393 785190722 /nfs/dbraw/zinc/19/07/22/785190722.db2.gz QDBPWIBDCLOPPK-BDAKNGLRSA-N 1 0 332.382 -2.469 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267090398 785190692 /nfs/dbraw/zinc/19/06/92/785190692.db2.gz QDBPWIBDCLOPPK-DTWKUNHWSA-N 1 0 332.382 -2.469 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267090401 785190670 /nfs/dbraw/zinc/19/06/70/785190670.db2.gz QDBPWIBDCLOPPK-IUCAKERBSA-N 1 0 332.382 -2.469 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267090405 785190217 /nfs/dbraw/zinc/19/02/17/785190217.db2.gz QDBPWIBDCLOPPK-RKDXNWHRSA-N 1 0 332.382 -2.469 20 0 EAADRO NC(=O)C[NH2+]CCc1ccc(CNC(=O)CN2CCOCC2=O)cc1 ZINC001267096251 785192991 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EAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267103183 785193977 /nfs/dbraw/zinc/19/39/77/785193977.db2.gz UPOKAAIQKHHZDR-UWVGGRQHSA-N 1 0 327.385 -1.371 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267103184 785194029 /nfs/dbraw/zinc/19/40/29/785194029.db2.gz UPOKAAIQKHHZDR-VHSXEESVSA-N 1 0 327.385 -1.371 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267103185 785193754 /nfs/dbraw/zinc/19/37/54/785193754.db2.gz UPOKAAIQKHHZDR-ZJUUUORDSA-N 1 0 327.385 -1.371 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@H+](C)CCCOC)C1 ZINC001267109006 785194127 /nfs/dbraw/zinc/19/41/27/785194127.db2.gz SXFHSSKQHKDQHS-GFCCVEGCSA-N 1 0 336.458 -1.001 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([N@H+](C)CCCOC)C1 ZINC001267109008 785194171 /nfs/dbraw/zinc/19/41/71/785194171.db2.gz SXFHSSKQHKDQHS-LBPRGKRZSA-N 1 0 336.458 -1.001 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cccnc1C(N)=O ZINC001267109544 785193746 /nfs/dbraw/zinc/19/37/46/785193746.db2.gz HYYCCTDAYZVTAG-UHFFFAOYSA-N 1 0 348.363 -1.606 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267110098 785194025 /nfs/dbraw/zinc/19/40/25/785194025.db2.gz SKCQEJAASCGBOK-JTQLQIEISA-N 1 0 348.425 -1.879 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267110099 785194193 /nfs/dbraw/zinc/19/41/93/785194193.db2.gz SKCQEJAASCGBOK-SNVBAGLBSA-N 1 0 348.425 -1.879 20 0 EAADRO COCCS(=O)(=O)CCCN(C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267110626 785195302 /nfs/dbraw/zinc/19/53/02/785195302.db2.gz GQXXXFGACRBYJT-GFCCVEGCSA-N 1 0 349.453 -1.154 20 0 EAADRO COCCS(=O)(=O)CCCN(C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267110627 785194982 /nfs/dbraw/zinc/19/49/82/785194982.db2.gz GQXXXFGACRBYJT-LBPRGKRZSA-N 1 0 349.453 -1.154 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267111044 785195070 /nfs/dbraw/zinc/19/50/70/785195070.db2.gz FCNIOVAAELKXHS-CHWSQXEVSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267111045 785195455 /nfs/dbraw/zinc/19/54/55/785195455.db2.gz FCNIOVAAELKXHS-OLZOCXBDSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267111046 785195284 /nfs/dbraw/zinc/19/52/84/785195284.db2.gz FCNIOVAAELKXHS-QWHCGFSZSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267111047 785195119 /nfs/dbraw/zinc/19/51/19/785195119.db2.gz FCNIOVAAELKXHS-STQMWFEESA-N 1 0 341.408 -1.031 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001267111226 785195175 /nfs/dbraw/zinc/19/51/75/785195175.db2.gz NHIQJXPDNHHFDC-NXEZZACHSA-N 1 0 339.396 -1.242 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001267111227 785195259 /nfs/dbraw/zinc/19/52/59/785195259.db2.gz NHIQJXPDNHHFDC-UWVGGRQHSA-N 1 0 339.396 -1.242 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001267111228 785194892 /nfs/dbraw/zinc/19/48/92/785194892.db2.gz NHIQJXPDNHHFDC-VHSXEESVSA-N 1 0 339.396 -1.242 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001267111229 785195533 /nfs/dbraw/zinc/19/55/33/785195533.db2.gz NHIQJXPDNHHFDC-ZJUUUORDSA-N 1 0 339.396 -1.242 20 0 EAADRO C[N@H+]([C@@H]1CCCN(C(=O)CCNC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001267114150 785195421 /nfs/dbraw/zinc/19/54/21/785195421.db2.gz BWCSIGBQUJDECB-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO C[N@H+]([C@@H]1CCCN(C(=O)CCNC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001267114152 785195035 /nfs/dbraw/zinc/19/50/35/785195035.db2.gz BWCSIGBQUJDECB-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO C[N@H+]([C@H]1CCCN(C(=O)CCNC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001267114154 785196545 /nfs/dbraw/zinc/19/65/45/785196545.db2.gz BWCSIGBQUJDECB-QWRGUYRKSA-N 1 0 339.396 -1.227 20 0 EAADRO C[N@@H+]([C@@H]1CCC(=O)NC1=O)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 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1 0 327.385 -1.499 20 0 EAADRO C[C@H](CCNC(=O)Cc1cnn(C)c1)[NH2+]CCN1C(=O)CNC1=O ZINC001267120424 785196275 /nfs/dbraw/zinc/19/62/75/785196275.db2.gz DYBJDYCLXIBAJW-LLVKDONJSA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](CCNC(=O)Cc1cnn(C)c1)[NH2+]CCN1C(=O)CNC1=O ZINC001267120425 785196228 /nfs/dbraw/zinc/19/62/28/785196228.db2.gz DYBJDYCLXIBAJW-NSHDSACASA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@H](CCNC(=O)CC(N)=O)[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001267122332 785196774 /nfs/dbraw/zinc/19/67/74/785196774.db2.gz IPQRGTIOYTYBFG-GHMZBOCLSA-N 1 0 336.396 -1.115 20 0 EAADRO C[C@H](CCNC(=O)CC(N)=O)[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001267122338 785196438 /nfs/dbraw/zinc/19/64/38/785196438.db2.gz IPQRGTIOYTYBFG-MNOVXSKESA-N 1 0 336.396 -1.115 20 0 EAADRO C[C@@H](CCNC(=O)CC(N)=O)[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001267122340 785196603 /nfs/dbraw/zinc/19/66/03/785196603.db2.gz IPQRGTIOYTYBFG-QWRGUYRKSA-N 1 0 336.396 -1.115 20 0 EAADRO C[C@@H](CCNC(=O)CC(N)=O)[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001267122342 785196511 /nfs/dbraw/zinc/19/65/11/785196511.db2.gz IPQRGTIOYTYBFG-WDEREUQCSA-N 1 0 336.396 -1.115 20 0 EAADRO C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)[NH2+]CCN1C(=O)CNC1=O ZINC001267123216 785196568 /nfs/dbraw/zinc/19/65/68/785196568.db2.gz PZSPVAFPBJHAIK-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)[NH2+]CCN1C(=O)CNC1=O ZINC001267123217 785197029 /nfs/dbraw/zinc/19/70/29/785197029.db2.gz PZSPVAFPBJHAIK-VHSXEESVSA-N 1 0 325.369 -1.699 20 0 EAADRO C[C@H](CCNC(=O)[C@@H](C)n1cncn1)[NH2+]CCN1C(=O)CNC1=O ZINC001267124376 785196986 /nfs/dbraw/zinc/19/69/86/785196986.db2.gz HHAVUGRHFFXJST-GHMZBOCLSA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]CCN1C(=O)CNC1=O ZINC001267124377 785197007 /nfs/dbraw/zinc/19/70/07/785197007.db2.gz HHAVUGRHFFXJST-MNOVXSKESA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]CCN1C(=O)CNC1=O ZINC001267124378 785196211 /nfs/dbraw/zinc/19/62/11/785196211.db2.gz HHAVUGRHFFXJST-QWRGUYRKSA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@H](C(=O)NCC[C@H](C)[NH2+]CCN1C(=O)CNC1=O)n1cncn1 ZINC001267124379 785196451 /nfs/dbraw/zinc/19/64/51/785196451.db2.gz HHAVUGRHFFXJST-WDEREUQCSA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@H](CCNC(=O)c1cnn(C)c1N)[NH2+]CCNS(C)(=O)=O ZINC001267125041 785196877 /nfs/dbraw/zinc/19/68/77/785196877.db2.gz MPLQUVVTCUJBJS-SECBINFHSA-N 1 0 332.430 -1.351 20 0 EAADRO C[C@@H](CCNC(=O)c1cnn(C)c1N)[NH2+]CCNS(C)(=O)=O ZINC001267125045 785196224 /nfs/dbraw/zinc/19/62/24/785196224.db2.gz MPLQUVVTCUJBJS-VIFPVBQESA-N 1 0 332.430 -1.351 20 0 EAADRO C[C@H](CCNC(=O)Cc1ccn(C)n1)[NH2+]CCN1C(=O)CNC1=O ZINC001267125349 785196487 /nfs/dbraw/zinc/19/64/87/785196487.db2.gz GYYOMTAISWORBS-LLVKDONJSA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](CCNC(=O)Cc1ccn(C)n1)[NH2+]CCN1C(=O)CNC1=O ZINC001267125351 785196814 /nfs/dbraw/zinc/19/68/14/785196814.db2.gz GYYOMTAISWORBS-NSHDSACASA-N 1 0 336.396 -1.001 20 0 EAADRO 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/nfs/dbraw/zinc/19/63/86/785196386.db2.gz SMRBZVMWIKPLNW-SCZZXKLOSA-N 1 0 331.394 -1.679 20 0 EAADRO C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267129581 785196479 /nfs/dbraw/zinc/19/64/79/785196479.db2.gz SMRBZVMWIKPLNW-WCBMZHEXSA-N 1 0 331.394 -1.679 20 0 EAADRO C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001267129582 785196767 /nfs/dbraw/zinc/19/67/67/785196767.db2.gz SMRBZVMWIKPLNW-WPRPVWTQSA-N 1 0 331.394 -1.679 20 0 EAADRO C[C@@H](CCNC(=O)c1cc(=O)n(C)cn1)[NH2+]CCNS(C)(=O)=O ZINC001267131063 785197567 /nfs/dbraw/zinc/19/75/67/785197567.db2.gz BVFSGBGZXNQENT-JTQLQIEISA-N 1 0 345.425 -1.573 20 0 EAADRO C[C@H](CCNC(=O)c1cc(=O)n(C)cn1)[NH2+]CCNS(C)(=O)=O ZINC001267131064 785198164 /nfs/dbraw/zinc/19/81/64/785198164.db2.gz BVFSGBGZXNQENT-SNVBAGLBSA-N 1 0 345.425 -1.573 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001267132423 785197820 /nfs/dbraw/zinc/19/78/20/785197820.db2.gz OTDLNLJJHZFKJR-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001267132424 785198103 /nfs/dbraw/zinc/19/81/03/785198103.db2.gz OTDLNLJJHZFKJR-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CCn1cc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)nn1 ZINC001267132763 785198304 /nfs/dbraw/zinc/19/83/04/785198304.db2.gz SEMSYBBZHOZSFY-KOLCDFICSA-N 1 0 337.384 -1.120 20 0 EAADRO CCn1cc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)nn1 ZINC001267132765 785197379 /nfs/dbraw/zinc/19/73/79/785197379.db2.gz SEMSYBBZHOZSFY-ONGXEEELSA-N 1 0 337.384 -1.120 20 0 EAADRO C[C@H](CCNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]CCNS(C)(=O)=O ZINC001267134356 785198204 /nfs/dbraw/zinc/19/82/04/785198204.db2.gz TWCGGEWTFBWIQL-GHMZBOCLSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@H](CCNC(=O)[C@H]1CCC(=O)NC1)[NH2+]CCNS(C)(=O)=O ZINC001267134357 785197977 /nfs/dbraw/zinc/19/79/77/785197977.db2.gz TWCGGEWTFBWIQL-MNOVXSKESA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CCC(=O)NC1)[NH2+]CCNS(C)(=O)=O ZINC001267134358 785197731 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327.385 -1.451 20 0 EAADRO CCC[N@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](C)C(=O)NC ZINC001267315247 785223099 /nfs/dbraw/zinc/22/30/99/785223099.db2.gz GYUNUPOSLXEZDH-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CCC[N@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)[C@H](C)C(=O)NC ZINC001267315248 785222537 /nfs/dbraw/zinc/22/25/37/785222537.db2.gz GYUNUPOSLXEZDH-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CCC[N@H+](CCNC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H](C)C(N)=O ZINC001267318121 785223476 /nfs/dbraw/zinc/22/34/76/785223476.db2.gz RWLIOKGOLSVBBW-SECBINFHSA-N 1 0 341.368 -1.891 20 0 EAADRO CCC[N@H+](CCNC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H](C)C(N)=O ZINC001267318124 785223334 /nfs/dbraw/zinc/22/33/34/785223334.db2.gz RWLIOKGOLSVBBW-VIFPVBQESA-N 1 0 341.368 -1.891 20 0 EAADRO CCCN(CCNC(=O)CN1C(=O)CNC1=O)CC(=O)N(C)C ZINC001267319488 785223604 /nfs/dbraw/zinc/22/36/04/785223604.db2.gz JBKHFVAEZPOOFQ-UHFFFAOYSA-N 1 0 327.385 -1.545 20 0 EAADRO CC(C)[N@H+](CCCNC(=O)[C@]1(C)CCNC1=O)CC(=O)NC(N)=O ZINC001267319882 785223297 /nfs/dbraw/zinc/22/32/97/785223297.db2.gz VPZHDWPLYXNNGQ-HNNXBMFYSA-N 1 0 341.412 -1.076 20 0 EAADRO CC(C)[N@H+](CCCNC(=O)[C@@]1(C)CCNC1=O)CC(=O)NC(N)=O ZINC001267319883 785224111 /nfs/dbraw/zinc/22/41/11/785224111.db2.gz VPZHDWPLYXNNGQ-OAHLLOKOSA-N 1 0 341.412 -1.076 20 0 EAADRO CCC[N@H+](CCNC(=O)CCNC(N)=O)[C@H]1CCC(=O)NC1=O ZINC001267320036 785223746 /nfs/dbraw/zinc/22/37/46/785223746.db2.gz YEEZKEHSDMCIHQ-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CCC[N@H+](CCNC(=O)CCNC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001267320038 785222709 /nfs/dbraw/zinc/22/27/09/785222709.db2.gz YEEZKEHSDMCIHQ-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO O=C(Cn1cnnn1)NCC[N@H+](CCN1C(=O)CCC1=O)C1CC1 ZINC001267322041 785222631 /nfs/dbraw/zinc/22/26/31/785222631.db2.gz QVURTXLPLXGPEY-UHFFFAOYSA-N 1 0 335.368 -1.597 20 0 EAADRO CC(C)[N@H+](CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O)CC(N)=O ZINC001267324332 785223417 /nfs/dbraw/zinc/22/34/17/785223417.db2.gz CCDQBIAGYKTTGK-UHFFFAOYSA-N 1 0 341.368 -1.891 20 0 EAADRO O=C(Cn1ncnn1)NCC[N@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC001267326685 785223518 /nfs/dbraw/zinc/22/35/18/785223518.db2.gz YNZUERRIYZRDPT-UHFFFAOYSA-N 1 0 336.356 -2.195 20 0 EAADRO O=C(NCC[N@H+](CCN1C(=O)CNC1=O)C1CC1)[C@@H]1COC(=O)N1 ZINC001267326763 785223209 /nfs/dbraw/zinc/22/32/09/785223209.db2.gz RKIKZBDQZRFYCP-JTQLQIEISA-N 1 0 339.352 -1.773 20 0 EAADRO O=C(NCC[N@H+](CCN1C(=O)CNC1=O)C1CC1)[C@H]1COC(=O)N1 ZINC001267326766 785222656 /nfs/dbraw/zinc/22/26/56/785222656.db2.gz RKIKZBDQZRFYCP-SNVBAGLBSA-N 1 0 339.352 -1.773 20 0 EAADRO CC(C)[N@H+](CCCNC(=O)c1cnn(C)n1)CC(=O)NC(N)=O ZINC001267329435 785224751 /nfs/dbraw/zinc/22/47/51/785224751.db2.gz ZOHAHLSDTSHLBS-UHFFFAOYSA-N 1 0 325.373 -1.160 20 0 EAADRO NC(=O)C1(C(=O)NCC[N@H+](CCN2C(=O)CCC2=O)C2CC2)CC1 ZINC001267333190 785224860 /nfs/dbraw/zinc/22/48/60/785224860.db2.gz XYPBYYAGUDHINJ-UHFFFAOYSA-N 1 0 336.392 -1.019 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)NCC[N@H+](CCCO)C2CC2)C1=O ZINC001267333563 785225635 /nfs/dbraw/zinc/22/56/35/785225635.db2.gz FYKOFPPMINLVBW-UHFFFAOYSA-N 1 0 326.353 -1.630 20 0 EAADRO O=C(NCC[N@H+](CCN1C(=O)CCC1=O)C1CC1)[C@@H]1CCC(=O)N1 ZINC001267335843 785224775 /nfs/dbraw/zinc/22/47/75/785224775.db2.gz COUOAGBZMPVKDC-LBPRGKRZSA-N 1 0 336.392 -1.005 20 0 EAADRO O=C(NCC[N@H+](CCN1C(=O)CNC1=O)C1CC1)[C@@H]1CCC(=O)N1 ZINC001267336148 785226019 /nfs/dbraw/zinc/22/60/19/785226019.db2.gz JUNISGJFLBSLIS-NSHDSACASA-N 1 0 337.380 -1.603 20 0 EAADRO CN1C(=O)CN(CC(=O)NCC[N@H+](CCn2cncn2)C2CC2)C1=O ZINC001267336400 785225327 /nfs/dbraw/zinc/22/53/27/785225327.db2.gz ORTHWCVSMODLJD-UHFFFAOYSA-N 1 0 349.395 -1.247 20 0 EAADRO O=C(Cc1nc[nH]n1)NCC[N@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC001267336612 785225276 /nfs/dbraw/zinc/22/52/76/785225276.db2.gz SVZUFDXQBKBAGM-UHFFFAOYSA-N 1 0 335.368 -1.520 20 0 EAADRO CC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001267340477 785224808 /nfs/dbraw/zinc/22/48/08/785224808.db2.gz GFPRNZAIZFUTQU-UHFFFAOYSA-N 1 0 341.412 -2.106 20 0 EAADRO CC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001267340974 785226210 /nfs/dbraw/zinc/22/62/10/785226210.db2.gz OOCZOFKNSGHDGR-RYUDHWBXSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267340975 785225729 /nfs/dbraw/zinc/22/57/29/785225729.db2.gz OOCZOFKNSGHDGR-TXEJJXNPSA-N 1 0 328.413 -1.194 20 0 EAADRO CC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001267340976 785224731 /nfs/dbraw/zinc/22/47/31/785224731.db2.gz OOCZOFKNSGHDGR-VXGBXAGGSA-N 1 0 328.413 -1.194 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)c1cnccn1 ZINC001267342565 785225994 /nfs/dbraw/zinc/22/59/94/785225994.db2.gz WZFYHLMVEHYCTL-UHFFFAOYSA-N 1 0 332.364 -1.264 20 0 EAADRO CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)C1=COCCO1 ZINC001267342735 785225318 /nfs/dbraw/zinc/22/53/18/785225318.db2.gz AMFCDGBWQZTQAZ-UHFFFAOYSA-N 1 0 326.353 -1.136 20 0 EAADRO CCOCC(=O)N(C)CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001267342968 785225186 /nfs/dbraw/zinc/22/51/86/785225186.db2.gz ICGXLBYVOKASOS-UHFFFAOYSA-N 1 0 328.413 -1.205 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)CN1CCCC1=O ZINC001267343659 785224895 /nfs/dbraw/zinc/22/48/95/785224895.db2.gz DYLWGYKDBLRRTR-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)CN1CCCC1=O ZINC001267343660 785224991 /nfs/dbraw/zinc/22/49/91/785224991.db2.gz DYLWGYKDBLRRTR-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO Cc1cc(NC(=O)C[NH2+]CCN(C)C(=O)Cn2cnnn2)n(C)n1 ZINC001267343661 785225376 /nfs/dbraw/zinc/22/53/76/785225376.db2.gz DZKDPXCTYDYBMT-UHFFFAOYSA-N 1 0 335.372 -1.598 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)Cn2cnnn2)CCO1 ZINC001267343773 785225612 /nfs/dbraw/zinc/22/56/12/785225612.db2.gz ISUGFQFKHIFMNR-LLVKDONJSA-N 1 0 325.373 -2.032 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)Cn2cnnn2)CCO1 ZINC001267343774 785225881 /nfs/dbraw/zinc/22/58/81/785225881.db2.gz ISUGFQFKHIFMNR-NSHDSACASA-N 1 0 325.373 -2.032 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)CC(F)(F)F)C(=O)Cn1cnnn1 ZINC001267343777 785224826 /nfs/dbraw/zinc/22/48/26/785224826.db2.gz IWJLCDPFUDUJSY-UHFFFAOYSA-N 1 0 337.306 -1.258 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)[C@H]1CCCO1 ZINC001267343832 785224844 /nfs/dbraw/zinc/22/48/44/785224844.db2.gz AYBCIFBNSMVYJS-CYBMUJFWSA-N 1 0 340.424 -1.063 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)[C@@H]1CCCO1 ZINC001267343833 785224680 /nfs/dbraw/zinc/22/46/80/785224680.db2.gz AYBCIFBNSMVYJS-ZDUSSCGKSA-N 1 0 340.424 -1.063 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)Cn1cnnn1 ZINC001267343882 785226065 /nfs/dbraw/zinc/22/60/65/785226065.db2.gz LIIRMSDBLJKSIT-NSHDSACASA-N 1 0 325.373 -2.296 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001267344263 785226793 /nfs/dbraw/zinc/22/67/93/785226793.db2.gz HJKPIFXWSLVUNT-UHFFFAOYSA-N 1 0 330.410 -1.079 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CN1CCCC1=O ZINC001267344305 785227586 /nfs/dbraw/zinc/22/75/86/785227586.db2.gz UUWDHFUHKGDIED-UHFFFAOYSA-N 1 0 327.385 -1.498 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)Cn1cnnn1)C(=O)N(C)C ZINC001267344397 785227825 /nfs/dbraw/zinc/22/78/25/785227825.db2.gz XABQTMYJDIHHES-JTQLQIEISA-N 1 0 340.388 -2.686 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)Cn1cnnn1)C(=O)N(C)C ZINC001267344401 785227219 /nfs/dbraw/zinc/22/72/19/785227219.db2.gz XABQTMYJDIHHES-SNVBAGLBSA-N 1 0 340.388 -2.686 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001267344698 785226814 /nfs/dbraw/zinc/22/68/14/785226814.db2.gz PTIBHQMMIHQTHW-NSHDSACASA-N 1 0 337.380 -1.173 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)CC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001267344804 785226762 /nfs/dbraw/zinc/22/67/62/785226762.db2.gz UEHQNUMDEGCXGI-JTQLQIEISA-N 1 0 341.412 -1.111 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)CC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001267344805 785227747 /nfs/dbraw/zinc/22/77/47/785227747.db2.gz UEHQNUMDEGCXGI-SNVBAGLBSA-N 1 0 341.412 -1.111 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@H]1COCCO1 ZINC001267347663 785227467 /nfs/dbraw/zinc/22/74/67/785227467.db2.gz HGEOLDZPKNWAHL-CYBMUJFWSA-N 1 0 329.397 -1.255 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@@H]1COCCO1 ZINC001267347664 785227775 /nfs/dbraw/zinc/22/77/75/785227775.db2.gz HGEOLDZPKNWAHL-ZDUSSCGKSA-N 1 0 329.397 -1.255 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)CNC(=O)C1CC1 ZINC001267348655 785227227 /nfs/dbraw/zinc/22/72/27/785227227.db2.gz HSYBBHXSFPDSMO-UHFFFAOYSA-N 1 0 334.380 -1.011 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)COC1CCCC1 ZINC001267348908 785226629 /nfs/dbraw/zinc/22/66/29/785226629.db2.gz MNKUUXAKARJIHE-UHFFFAOYSA-N 1 0 340.424 -1.048 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC(=O)N1CCCC1)C(=O)c1cc[nH]n1 ZINC001267348969 785227176 /nfs/dbraw/zinc/22/71/76/785227176.db2.gz OUKFTCFTBZRBCM-UHFFFAOYSA-N 1 0 336.396 -1.190 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)CCn1cncn1 ZINC001267349106 785227045 /nfs/dbraw/zinc/22/70/45/785227045.db2.gz QBNJOJIZKALICB-UHFFFAOYSA-N 1 0 349.395 -1.686 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)CCn1cncn1 ZINC001267349267 785227844 /nfs/dbraw/zinc/22/78/44/785227844.db2.gz QYMOEPMFPFFBDG-UHFFFAOYSA-N 1 0 337.384 -2.325 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)C(=O)c1cn[nH]c1 ZINC001267349429 785227793 /nfs/dbraw/zinc/22/77/93/785227793.db2.gz XRIHHLBEQZLCFR-LLVKDONJSA-N 1 0 336.396 -1.205 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)C(=O)c1cn[nH]c1 ZINC001267349430 785227560 /nfs/dbraw/zinc/22/75/60/785227560.db2.gz XRIHHLBEQZLCFR-NSHDSACASA-N 1 0 336.396 -1.205 20 0 EAADRO COC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001267349882 785227523 /nfs/dbraw/zinc/22/75/23/785227523.db2.gz ISYTYOVHDILVMN-LLVKDONJSA-N 1 0 330.385 -1.314 20 0 EAADRO COC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001267349883 785226838 /nfs/dbraw/zinc/22/68/38/785226838.db2.gz ISYTYOVHDILVMN-NSHDSACASA-N 1 0 330.385 -1.314 20 0 EAADRO COC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)Nc1nncs1 ZINC001267349908 785226688 /nfs/dbraw/zinc/22/66/88/785226688.db2.gz JNVGGTZKIFCUTJ-UHFFFAOYSA-N 1 0 330.370 -1.119 20 0 EAADRO COC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001267350509 785227284 /nfs/dbraw/zinc/22/72/84/785227284.db2.gz XOXQCBONVPSTEN-JTQLQIEISA-N 1 0 345.400 -2.017 20 0 EAADRO COC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001267350510 785227197 /nfs/dbraw/zinc/22/71/97/785227197.db2.gz XOXQCBONVPSTEN-SNVBAGLBSA-N 1 0 345.400 -2.017 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)CS(C)(=O)=O ZINC001267351542 785227169 /nfs/dbraw/zinc/22/71/69/785227169.db2.gz HTFQNTFVXQVDHO-UHFFFAOYSA-N 1 0 334.398 -1.933 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1cncs1 ZINC001267351705 785227395 /nfs/dbraw/zinc/22/73/95/785227395.db2.gz KSHGMRFAFKAUGS-UHFFFAOYSA-N 1 0 325.394 -1.237 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)CS(C)(=O)=O ZINC001267351791 785227406 /nfs/dbraw/zinc/22/74/06/785227406.db2.gz LOVWSANWYFNBAM-UHFFFAOYSA-N 1 0 329.444 -2.030 20 0 EAADRO Cc1cnn(CC(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001267351878 785226603 /nfs/dbraw/zinc/22/66/03/785226603.db2.gz MXQVVGYEMDMSCB-UHFFFAOYSA-N 1 0 336.396 -1.802 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)CS(C)(=O)=O ZINC001267352095 785227454 /nfs/dbraw/zinc/22/74/54/785227454.db2.gz PQRZGGQRBQRNFB-UHFFFAOYSA-N 1 0 341.455 -1.886 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)CS(C)(=O)=O ZINC001267352642 785227213 /nfs/dbraw/zinc/22/72/13/785227213.db2.gz WGXWOXXOIDRITM-LLVKDONJSA-N 1 0 340.467 -1.096 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)CS(C)(=O)=O ZINC001267352648 785227488 /nfs/dbraw/zinc/22/74/88/785227488.db2.gz WGXWOXXOIDRITM-NSHDSACASA-N 1 0 340.467 -1.096 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)c1ccnn1C)C(=O)N(C)C ZINC001267353017 785227353 /nfs/dbraw/zinc/22/73/53/785227353.db2.gz LORCJHWWUYYQGA-LLVKDONJSA-N 1 0 338.412 -1.325 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)c1ccnn1C)C(=O)N(C)C ZINC001267353019 785226918 /nfs/dbraw/zinc/22/69/18/785226918.db2.gz LORCJHWWUYYQGA-NSHDSACASA-N 1 0 338.412 -1.325 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)Cc1cnn(C)c1 ZINC001267353407 785227252 /nfs/dbraw/zinc/22/72/52/785227252.db2.gz MUDYPCWPBNGCOY-UHFFFAOYSA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001267354433 785226823 /nfs/dbraw/zinc/22/68/23/785226823.db2.gz MOYVUMIBUUQBNE-GHMZBOCLSA-N 1 0 341.412 -2.094 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001267354434 785226900 /nfs/dbraw/zinc/22/69/00/785226900.db2.gz MOYVUMIBUUQBNE-WDEREUQCSA-N 1 0 341.412 -2.094 20 0 EAADRO CSC[C@@H](C)C(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267354574 785226935 /nfs/dbraw/zinc/22/69/35/785226935.db2.gz RLVYXRSQWJMDTN-LLVKDONJSA-N 1 0 330.454 -1.008 20 0 EAADRO CSC[C@H](C)C(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267354575 785227688 /nfs/dbraw/zinc/22/76/88/785227688.db2.gz RLVYXRSQWJMDTN-NSHDSACASA-N 1 0 330.454 -1.008 20 0 EAADRO Cc1nc(C(=O)N(C)CC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)c[nH]1 ZINC001267354669 785227317 /nfs/dbraw/zinc/22/73/17/785227317.db2.gz VHDMYTGGSVYJTB-LLVKDONJSA-N 1 0 337.380 -1.110 20 0 EAADRO Cc1nc(C(=O)N(C)CC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)c[nH]1 ZINC001267354670 785227263 /nfs/dbraw/zinc/22/72/63/785227263.db2.gz VHDMYTGGSVYJTB-NSHDSACASA-N 1 0 337.380 -1.110 20 0 EAADRO CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@H]1CCC(=O)N1 ZINC001267354709 785227434 /nfs/dbraw/zinc/22/74/34/785227434.db2.gz WHNFJDAPXHVGEH-GXTWGEPZSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@H]1CCC(=O)N1 ZINC001267354710 785226771 /nfs/dbraw/zinc/22/67/71/785226771.db2.gz WHNFJDAPXHVGEH-TZMCWYRMSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@H]1CCC(=O)N1 ZINC001267354801 785227012 /nfs/dbraw/zinc/22/70/12/785227012.db2.gz YQSBJGFPSPQLCW-LLVKDONJSA-N 1 0 337.380 -2.089 20 0 EAADRO Cc1nn(C)cc1C(=O)N(C)CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001267355391 785227030 /nfs/dbraw/zinc/22/70/30/785227030.db2.gz PTKQTXLEPVCCRA-UHFFFAOYSA-N 1 0 348.407 -1.012 20 0 EAADRO C[C@@H]([NH2+]CCN(C)C(=O)CC(N)=O)C(=O)NC(=O)NC(C)(C)C ZINC001267355828 785226998 /nfs/dbraw/zinc/22/69/98/785226998.db2.gz FEZWFWZFXRZVEC-SECBINFHSA-N 1 0 329.401 -1.077 20 0 EAADRO C[C@H]([NH2+]CCN(C)C(=O)CC(N)=O)C(=O)NC(=O)NC(C)(C)C ZINC001267355829 785226649 /nfs/dbraw/zinc/22/66/49/785226649.db2.gz FEZWFWZFXRZVEC-VIFPVBQESA-N 1 0 329.401 -1.077 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)CC1CCOCC1 ZINC001267355840 785227812 /nfs/dbraw/zinc/22/78/12/785227812.db2.gz FYOAWFXTRSFMFU-UHFFFAOYSA-N 1 0 340.424 -1.191 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)c2nccnc2N)CCO1 ZINC001267356628 785227378 /nfs/dbraw/zinc/22/73/78/785227378.db2.gz SYUSARVZUXKUTP-LLVKDONJSA-N 1 0 336.396 -1.032 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)c2nccnc2N)CCO1 ZINC001267356630 785227294 /nfs/dbraw/zinc/22/72/94/785227294.db2.gz SYUSARVZUXKUTP-NSHDSACASA-N 1 0 336.396 -1.032 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCN(C)C(=O)CC(N)=O)CC1 ZINC001267358880 785226881 /nfs/dbraw/zinc/22/68/81/785226881.db2.gz RCBWSCRETLZLCG-UHFFFAOYSA-N 1 0 327.385 -2.400 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC(=O)N1CCCC1)C(=O)CC(N)=O ZINC001267358966 785227150 /nfs/dbraw/zinc/22/71/50/785227150.db2.gz VMFRJHGFOSIKRC-UHFFFAOYSA-N 1 0 327.385 -2.352 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001267359405 785226853 /nfs/dbraw/zinc/22/68/53/785226853.db2.gz KIKABLWZEXHSGN-LLVKDONJSA-N 1 0 329.401 -1.789 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001267359406 785227130 /nfs/dbraw/zinc/22/71/30/785227130.db2.gz KIKABLWZEXHSGN-NSHDSACASA-N 1 0 329.401 -1.789 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)c1cnn(C)c1N ZINC001267363784 785229080 /nfs/dbraw/zinc/22/90/80/785229080.db2.gz KDRUQEGVZHERQS-UHFFFAOYSA-N 1 0 332.430 -1.445 20 0 EAADRO CCNC(=O)CC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001267364073 785228497 /nfs/dbraw/zinc/22/84/97/785228497.db2.gz UCUCDWDNNMZYEY-UHFFFAOYSA-N 1 0 327.385 -1.451 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)c1cnn(C)c1N ZINC001267364118 785228705 /nfs/dbraw/zinc/22/87/05/785228705.db2.gz VIDLNYLJIWLPRN-UHFFFAOYSA-N 1 0 338.412 -1.041 20 0 EAADRO Cc1cc(C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)ncn1 ZINC001267364479 785227306 /nfs/dbraw/zinc/22/73/06/785227306.db2.gz PEHDMFUVCZNDFQ-UHFFFAOYSA-N 1 0 334.380 -1.595 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)COC(C)(C)C ZINC001267364870 785228536 /nfs/dbraw/zinc/22/85/36/785228536.db2.gz MJEUTSURZSZREM-UHFFFAOYSA-N 1 0 328.413 -1.192 20 0 EAADRO CN(CC[NH2+]CC(=O)Nc1nncs1)C(=O)CN1CCOCC1 ZINC001267365075 785229037 /nfs/dbraw/zinc/22/90/37/785229037.db2.gz PZGDAYJFITVYRZ-UHFFFAOYSA-N 1 0 342.425 -1.143 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N(C)CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001267365570 785228546 /nfs/dbraw/zinc/22/85/46/785228546.db2.gz BSRLEOGOIYRSBP-VIFPVBQESA-N 1 0 340.384 -2.311 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N(C)CC[NH2+]CC(=O)NC1CCOCC1 ZINC001267365624 785228290 /nfs/dbraw/zinc/22/82/90/785228290.db2.gz DZWNLTCJLYUHCK-JTQLQIEISA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N(C)CC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001267365658 785228918 /nfs/dbraw/zinc/22/89/18/785228918.db2.gz GFDRVOFKJAZYOF-JTQLQIEISA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N(C)CC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001267365860 785228617 /nfs/dbraw/zinc/22/86/17/785228617.db2.gz ODZGEBXGQZRFEZ-QWRGUYRKSA-N 1 0 329.401 -1.926 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCN(C)C(=O)CC(C)(C)O)CC1 ZINC001267366294 785229132 /nfs/dbraw/zinc/22/91/32/785229132.db2.gz CJPROCAJEKNTOI-UHFFFAOYSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(=O)N1CC(C(=O)N(C)CC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001267366862 785228417 /nfs/dbraw/zinc/22/84/17/785228417.db2.gz MFTNQQKXBZQZNS-UHFFFAOYSA-N 1 0 339.396 -1.545 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001267367360 785228747 /nfs/dbraw/zinc/22/87/47/785228747.db2.gz UGOCOBMVHGOKNL-UHFFFAOYSA-N 1 0 341.412 -1.252 20 0 EAADRO CC(=O)N1CC(C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001267367522 785229059 /nfs/dbraw/zinc/22/90/59/785229059.db2.gz YOELRSPQAWAHQD-UHFFFAOYSA-N 1 0 334.442 -1.596 20 0 EAADRO CC(=O)N1CC(C(=O)N(C)CC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001267367523 785228457 /nfs/dbraw/zinc/22/84/57/785228457.db2.gz YPOYNLOWOOWVRM-CYBMUJFWSA-N 1 0 340.424 -1.335 20 0 EAADRO CC(=O)N1CC(C(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267367524 785228869 /nfs/dbraw/zinc/22/88/69/785228869.db2.gz YPOYNLOWOOWVRM-ZDUSSCGKSA-N 1 0 340.424 -1.335 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)[C@H]1COC(=O)N1 ZINC001267367673 785228573 /nfs/dbraw/zinc/22/85/73/785228573.db2.gz FDJHYOYQYMGQBM-GHMZBOCLSA-N 1 0 328.369 -1.562 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)[C@@H]1COC(=O)N1 ZINC001267367674 785228277 /nfs/dbraw/zinc/22/82/77/785228277.db2.gz FDJHYOYQYMGQBM-MNOVXSKESA-N 1 0 328.369 -1.562 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)[C@@H]1COC(=O)N1 ZINC001267367675 785228902 /nfs/dbraw/zinc/22/89/02/785228902.db2.gz FDJHYOYQYMGQBM-QWRGUYRKSA-N 1 0 328.369 -1.562 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)[C@H]1COC(=O)N1 ZINC001267367676 785229152 /nfs/dbraw/zinc/22/91/52/785229152.db2.gz FDJHYOYQYMGQBM-WDEREUQCSA-N 1 0 328.369 -1.562 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001267367955 785228587 /nfs/dbraw/zinc/22/85/87/785228587.db2.gz PTQDCXGNQMJWOR-UWVGGRQHSA-N 1 0 332.351 -1.106 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)Cc1cnn(C)c1)C(=O)c1cnnn1C ZINC001267368189 785228401 /nfs/dbraw/zinc/22/84/01/785228401.db2.gz VJADIWNWKJTSFR-UHFFFAOYSA-N 1 0 348.411 -1.131 20 0 EAADRO CNC(=O)NCCC(=O)N(C)CC[NH2+]CC(=O)NC1CCOCC1 ZINC001267368761 785228606 /nfs/dbraw/zinc/22/86/06/785228606.db2.gz DGJUXNFQOMZEHU-UHFFFAOYSA-N 1 0 343.428 -1.351 20 0 EAADRO CCn1nncc1C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001267368923 785228358 /nfs/dbraw/zinc/22/83/58/785228358.db2.gz JOAMYKVUDTUZRM-UHFFFAOYSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NCCC(=O)N(C)CC[NH2+]CC(=O)Nc1cnccn1 ZINC001267368982 785228640 /nfs/dbraw/zinc/22/86/40/785228640.db2.gz LOKLOWFBSOABLB-UHFFFAOYSA-N 1 0 337.384 -1.218 20 0 EAADRO CNC(=O)NCCC(=O)N(C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001267369066 785228685 /nfs/dbraw/zinc/22/86/85/785228685.db2.gz OEOQKGICBBOMCK-UHFFFAOYSA-N 1 0 329.401 -1.788 20 0 EAADRO CNC(=O)NCCC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001267369101 785228627 /nfs/dbraw/zinc/22/86/27/785228627.db2.gz PQIJNQQLRRUAEZ-UHFFFAOYSA-N 1 0 342.400 -1.658 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1ncn(C)n1 ZINC001267369271 785228490 /nfs/dbraw/zinc/22/84/90/785228490.db2.gz WQTRSWUCVGTKMO-UHFFFAOYSA-N 1 0 325.373 -1.288 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)c1ncn(C)n1 ZINC001267369319 785228266 /nfs/dbraw/zinc/22/82/66/785228266.db2.gz YDBVYWFYSFEYOY-UHFFFAOYSA-N 1 0 335.368 -1.926 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)CC1(O)CCC1 ZINC001267370060 785228245 /nfs/dbraw/zinc/22/82/45/785228245.db2.gz HYCKLHRINYFOHI-UHFFFAOYSA-N 1 0 338.408 -1.063 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)c1ncc[nH]1 ZINC001267370188 785228833 /nfs/dbraw/zinc/22/88/33/785228833.db2.gz IXPFYRQYWHQCJZ-UHFFFAOYSA-N 1 0 336.396 -1.205 20 0 EAADRO Cc1c[nH]nc1C(=O)N(C)CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001267370225 785228565 /nfs/dbraw/zinc/22/85/65/785228565.db2.gz KNUFLBOXYJRDKF-UHFFFAOYSA-N 1 0 334.380 -1.023 20 0 EAADRO Cc1nnc(CC(=O)N(C)CC[NH2+]C[C@H](O)CN2CCCC2=O)[nH]1 ZINC001267370892 785229002 /nfs/dbraw/zinc/22/90/02/785229002.db2.gz DZFKCSQZRGSHMS-LBPRGKRZSA-N 1 0 338.412 -1.313 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)Cc1ccn(C)n1 ZINC001267371058 785228777 /nfs/dbraw/zinc/22/87/77/785228777.db2.gz HNTOAFDDLXJYLA-UHFFFAOYSA-N 1 0 336.396 -1.001 20 0 EAADRO Cc1nnc(CC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC2CC2)[nH]1 ZINC001267371810 785228372 /nfs/dbraw/zinc/22/83/72/785228372.db2.gz WDLDQOJACKPOGZ-UHFFFAOYSA-N 1 0 337.384 -1.308 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)CNC(=O)N1CCCC1 ZINC001267372034 785228462 /nfs/dbraw/zinc/22/84/62/785228462.db2.gz CXHUEPKJSLTGRG-UHFFFAOYSA-N 1 0 334.442 -1.116 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)CO[C@@H]1CCOC1 ZINC001267372269 785228301 /nfs/dbraw/zinc/22/83/01/785228301.db2.gz KCCMYNRLXRPNAR-GFCCVEGCSA-N 1 0 327.381 -1.011 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)CO[C@H]1CCOC1 ZINC001267372270 785229169 /nfs/dbraw/zinc/22/91/69/785229169.db2.gz KCCMYNRLXRPNAR-LBPRGKRZSA-N 1 0 327.381 -1.011 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CNC(=O)N1CCCC1 ZINC001267372527 785228394 /nfs/dbraw/zinc/22/83/94/785228394.db2.gz UGUSIBHCFLYYPR-UHFFFAOYSA-N 1 0 342.400 -1.705 20 0 EAADRO CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001267372659 785228527 /nfs/dbraw/zinc/22/85/27/785228527.db2.gz AYTGUMWEEMSJDI-LLVKDONJSA-N 1 0 336.396 -1.053 20 0 EAADRO CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001267372662 785228669 /nfs/dbraw/zinc/22/86/69/785228669.db2.gz AYTGUMWEEMSJDI-NSHDSACASA-N 1 0 336.396 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OINCDZVZKGJGON-UHFFFAOYSA-N 1 0 336.400 -1.250 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1ccc(=O)n(C)c1 ZINC001267395340 785232962 /nfs/dbraw/zinc/23/29/62/785232962.db2.gz QTPILSJBYYVZJL-UHFFFAOYSA-N 1 0 349.391 -1.995 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CN1CCCNC1=O ZINC001267395621 785233156 /nfs/dbraw/zinc/23/31/56/785233156.db2.gz UXGOAOKIWHYDCB-UHFFFAOYSA-N 1 0 340.384 -1.999 20 0 EAADRO CC(=O)N1CCC[C@@H](C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001267398343 785233522 /nfs/dbraw/zinc/23/35/22/785233522.db2.gz IEEOGRHWFQQZFP-CYBMUJFWSA-N 1 0 348.469 -1.158 20 0 EAADRO CC(=O)N1CCC[C@H](C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001267398344 785233801 /nfs/dbraw/zinc/23/38/01/785233801.db2.gz IEEOGRHWFQQZFP-ZDUSSCGKSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001267398403 785233555 /nfs/dbraw/zinc/23/35/55/785233555.db2.gz KNKANZJLIHULFX-JTQLQIEISA-N 1 0 346.409 -1.979 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001267398404 785232809 /nfs/dbraw/zinc/23/28/09/785232809.db2.gz KNKANZJLIHULFX-SNVBAGLBSA-N 1 0 346.409 -1.979 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001267398425 785233533 /nfs/dbraw/zinc/23/35/33/785233533.db2.gz LMQFXAGRLGEWIX-LLVKDONJSA-N 1 0 345.421 -1.382 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001267398426 785233645 /nfs/dbraw/zinc/23/36/45/785233645.db2.gz LMQFXAGRLGEWIX-NSHDSACASA-N 1 0 345.421 -1.382 20 0 EAADRO CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001267398552 785232788 /nfs/dbraw/zinc/23/27/88/785232788.db2.gz PRPMNUXQETWMSK-LLVKDONJSA-N 1 0 332.426 -1.506 20 0 EAADRO CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001267398553 785233108 /nfs/dbraw/zinc/23/31/08/785233108.db2.gz PRPMNUXQETWMSK-NSHDSACASA-N 1 0 332.426 -1.506 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001267398589 785233680 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CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001267399550 785233596 /nfs/dbraw/zinc/23/35/96/785233596.db2.gz JXLOBXYCGGANGA-LLVKDONJSA-N 1 0 341.412 -1.061 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001267399551 785233484 /nfs/dbraw/zinc/23/34/84/785233484.db2.gz JXLOBXYCGGANGA-NSHDSACASA-N 1 0 341.412 -1.061 20 0 EAADRO CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1cn(C)ccc1=O ZINC001267400439 785233655 /nfs/dbraw/zinc/23/36/55/785233655.db2.gz PJNPEVIMPITVJC-UHFFFAOYSA-N 1 0 349.391 -1.011 20 0 EAADRO CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)c1cc2n(n1)CCCO2 ZINC001267400968 785233510 /nfs/dbraw/zinc/23/35/10/785233510.db2.gz BJDFLPNQHQIXAP-UHFFFAOYSA-N 1 0 345.425 -1.124 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1ccc2nnnn2c1 ZINC001267402288 785233710 /nfs/dbraw/zinc/23/37/10/785233710.db2.gz FVSLLFUQXCCXFW-UHFFFAOYSA-N 1 0 348.367 -1.368 20 0 EAADRO CN(CC[NH2+]CCn1cncn1)C(=O)CN1CCCCS1(=O)=O ZINC001267402369 785233586 /nfs/dbraw/zinc/23/35/86/785233586.db2.gz BFHCVXQWMFSYDG-UHFFFAOYSA-N 1 0 344.441 -1.248 20 0 EAADRO Cc1cncn1CC(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267402405 785233197 /nfs/dbraw/zinc/23/31/97/785233197.db2.gz CWDAFXNXPNKFPM-UHFFFAOYSA-N 1 0 336.396 -1.802 20 0 EAADRO COCC1(C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001267402648 785233542 /nfs/dbraw/zinc/23/35/42/785233542.db2.gz MVVNQLKPLDKYIW-UHFFFAOYSA-N 1 0 326.397 -1.581 20 0 EAADRO CN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001267406727 785235150 /nfs/dbraw/zinc/23/51/50/785235150.db2.gz DAKLHECEZYVDAE-LBPRGKRZSA-N 1 0 347.437 -1.483 20 0 EAADRO CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001267407147 785235191 /nfs/dbraw/zinc/23/51/91/785235191.db2.gz KZBRWBYGDUPNJC-LBPRGKRZSA-N 1 0 332.368 -1.258 20 0 EAADRO CN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001267407462 785234769 /nfs/dbraw/zinc/23/47/69/785234769.db2.gz SYFGOABTQVYSBT-LBPRGKRZSA-N 1 0 340.405 -1.457 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)c1csnn1 ZINC001267408071 785235032 /nfs/dbraw/zinc/23/50/32/785235032.db2.gz CBODUWJCAKARPS-UHFFFAOYSA-N 1 0 338.393 -1.203 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001267408128 785235295 /nfs/dbraw/zinc/23/52/95/785235295.db2.gz ADESHMNUFWSECC-GFCCVEGCSA-N 1 0 348.469 -1.110 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001267408129 785234512 /nfs/dbraw/zinc/23/45/12/785234512.db2.gz ADESHMNUFWSECC-LBPRGKRZSA-N 1 0 348.469 -1.110 20 0 EAADRO CCC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCC1)S(N)(=O)=O ZINC001267408169 785234790 /nfs/dbraw/zinc/23/47/90/785234790.db2.gz BGSNHJKLMCJKCU-LLVKDONJSA-N 1 0 334.442 -1.276 20 0 EAADRO CCC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCC1)S(N)(=O)=O ZINC001267408170 785234698 /nfs/dbraw/zinc/23/46/98/785234698.db2.gz BGSNHJKLMCJKCU-NSHDSACASA-N 1 0 334.442 -1.276 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)CCn1ncn(C)c1=O ZINC001267408181 785234326 /nfs/dbraw/zinc/23/43/26/785234326.db2.gz BSUBWHUNWBYGMV-UHFFFAOYSA-N 1 0 333.414 -1.936 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001267408375 785234729 /nfs/dbraw/zinc/23/47/29/785234729.db2.gz GHFBJILHROIZEQ-UHFFFAOYSA-N 1 0 345.425 -2.013 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001267408594 785234888 /nfs/dbraw/zinc/23/48/88/785234888.db2.gz JKBTVBARRLUMTE-UHFFFAOYSA-N 1 0 326.401 -1.502 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCNC(=O)CC1 ZINC001267408774 785234719 /nfs/dbraw/zinc/23/47/19/785234719.db2.gz MPOCPRZMJLGMAF-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001267408775 785235271 /nfs/dbraw/zinc/23/52/71/785235271.db2.gz MPOCPRZMJLGMAF-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc(F)cn1 ZINC001267409128 785234975 /nfs/dbraw/zinc/23/49/75/785234975.db2.gz PYLQGOYVLZGCST-UHFFFAOYSA-N 1 0 333.389 -1.178 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001267409469 785234985 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CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cnn2cccnc12 ZINC001267412350 785234283 /nfs/dbraw/zinc/23/42/83/785234283.db2.gz VDALJOUTJZJPFJ-UHFFFAOYSA-N 1 0 345.363 -1.057 20 0 EAADRO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)CN2CCNC(=O)C2)n1 ZINC001267412663 785234577 /nfs/dbraw/zinc/23/45/77/785234577.db2.gz PCPWFXZTSNSCGD-UHFFFAOYSA-N 1 0 336.440 -1.020 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)c1ccn2nnnc2c1 ZINC001267413181 785234950 /nfs/dbraw/zinc/23/49/50/785234950.db2.gz XBKPVDOLLAQLBO-UHFFFAOYSA-N 1 0 326.382 -1.170 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1ccn2nnnc2c1 ZINC001267413274 785234309 /nfs/dbraw/zinc/23/43/09/785234309.db2.gz YSSPXQDCFYVGAY-JTQLQIEISA-N 1 0 331.336 -1.409 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1ccn2nnnc2c1 ZINC001267413276 785234263 /nfs/dbraw/zinc/23/42/63/785234263.db2.gz YSSPXQDCFYVGAY-SNVBAGLBSA-N 1 0 331.336 -1.409 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@H]1CCNC1=O ZINC001267414414 785234345 /nfs/dbraw/zinc/23/43/45/785234345.db2.gz GOHJIXCXNSFFBD-JTQLQIEISA-N 1 0 341.412 -1.205 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1CCNC1=O ZINC001267414415 785234292 /nfs/dbraw/zinc/23/42/92/785234292.db2.gz GOHJIXCXNSFFBD-SNVBAGLBSA-N 1 0 341.412 -1.205 20 0 EAADRO CN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001267414660 785235227 /nfs/dbraw/zinc/23/52/27/785235227.db2.gz LYGHQMUJEBJZGZ-GFCCVEGCSA-N 1 0 346.453 -1.117 20 0 EAADRO CN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267414661 785234898 /nfs/dbraw/zinc/23/48/98/785234898.db2.gz LYGHQMUJEBJZGZ-LBPRGKRZSA-N 1 0 346.453 -1.117 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267414692 785234672 /nfs/dbraw/zinc/23/46/72/785234672.db2.gz NGZCXIUQRLNFEW-JTQLQIEISA-N 1 0 340.384 -2.984 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001267414693 785234710 /nfs/dbraw/zinc/23/47/10/785234710.db2.gz NGZCXIUQRLNFEW-SNVBAGLBSA-N 1 0 340.384 -2.984 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001267414832 785234837 /nfs/dbraw/zinc/23/48/37/785234837.db2.gz RKEMKNAOPYGUSK-GHMZBOCLSA-N 1 0 332.426 -1.507 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267414833 785235140 /nfs/dbraw/zinc/23/51/40/785235140.db2.gz RKEMKNAOPYGUSK-MNOVXSKESA-N 1 0 332.426 -1.507 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267414834 785235221 /nfs/dbraw/zinc/23/52/21/785235221.db2.gz RKEMKNAOPYGUSK-QWRGUYRKSA-N 1 0 332.426 -1.507 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001267414835 785234764 /nfs/dbraw/zinc/23/47/64/785234764.db2.gz RKEMKNAOPYGUSK-WDEREUQCSA-N 1 0 332.426 -1.507 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCNC1=O ZINC001267414859 785234876 /nfs/dbraw/zinc/23/48/76/785234876.db2.gz SASODJUOHWWEGQ-LLVKDONJSA-N 1 0 332.426 -1.794 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CCNC1=O ZINC001267414860 785234807 /nfs/dbraw/zinc/23/48/07/785234807.db2.gz SASODJUOHWWEGQ-NSHDSACASA-N 1 0 332.426 -1.794 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@H]1CCNC1=O ZINC001267414996 785234586 /nfs/dbraw/zinc/23/45/86/785234586.db2.gz WPKSANFAUNCOJX-JTQLQIEISA-N 1 0 339.396 -1.499 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@@H]1CCNC1=O ZINC001267414997 785234411 /nfs/dbraw/zinc/23/44/11/785234411.db2.gz WPKSANFAUNCOJX-SNVBAGLBSA-N 1 0 339.396 -1.499 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001267415000 785234450 /nfs/dbraw/zinc/23/44/50/785234450.db2.gz WTGMPVSAKUJKNW-GHMZBOCLSA-N 1 0 334.442 -1.563 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001267415001 785234437 /nfs/dbraw/zinc/23/44/37/785234437.db2.gz WTGMPVSAKUJKNW-MNOVXSKESA-N 1 0 334.442 -1.563 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001267415002 785235073 /nfs/dbraw/zinc/23/50/73/785235073.db2.gz WTGMPVSAKUJKNW-QWRGUYRKSA-N 1 0 334.442 -1.563 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001267415003 785234858 /nfs/dbraw/zinc/23/48/58/785234858.db2.gz WTGMPVSAKUJKNW-WDEREUQCSA-N 1 0 334.442 -1.563 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001267415017 785234541 /nfs/dbraw/zinc/23/45/41/785234541.db2.gz XKMZPEMSZAVODH-NEPJUHHUSA-N 1 0 341.412 -1.695 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001267415018 785234563 /nfs/dbraw/zinc/23/45/63/785234563.db2.gz XKMZPEMSZAVODH-NWDGAFQWSA-N 1 0 341.412 -1.695 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001267415019 785234920 /nfs/dbraw/zinc/23/49/20/785234920.db2.gz XKMZPEMSZAVODH-RYUDHWBXSA-N 1 0 341.412 -1.695 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001267415020 785234844 /nfs/dbraw/zinc/23/48/44/785234844.db2.gz XKMZPEMSZAVODH-VXGBXAGGSA-N 1 0 341.412 -1.695 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)c1nnn(C)n1 ZINC001267415441 785236985 /nfs/dbraw/zinc/23/69/85/785236985.db2.gz KRWNKHQLLMLPHG-UHFFFAOYSA-N 1 0 338.372 -1.798 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)c2nnn(C)n2)CCO1 ZINC001267415455 785236074 /nfs/dbraw/zinc/23/60/74/785236074.db2.gz LGKAFVJIDDBLRP-JTQLQIEISA-N 1 0 325.373 -1.881 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)c2nnn(C)n2)CCO1 ZINC001267415456 785236173 /nfs/dbraw/zinc/23/61/73/785236173.db2.gz LGKAFVJIDDBLRP-SNVBAGLBSA-N 1 0 325.373 -1.881 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001267415668 785236258 /nfs/dbraw/zinc/23/62/58/785236258.db2.gz RRNSEQYSBBQCTM-LBPRGKRZSA-N 1 0 346.453 -1.309 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1nnn(C)n1 ZINC001267415870 785236689 /nfs/dbraw/zinc/23/66/89/785236689.db2.gz WVZYTVXYTJGYIV-UHFFFAOYSA-N 1 0 340.388 -1.502 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001267416464 785237067 /nfs/dbraw/zinc/23/70/67/785237067.db2.gz RGJAZJIBCHABBC-AWEZNQCLSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001267416465 785236954 /nfs/dbraw/zinc/23/69/54/785236954.db2.gz RGJAZJIBCHABBC-CQSZACIVSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)[C@@H]1CCN(C)C1=O ZINC001267416761 785235307 /nfs/dbraw/zinc/23/53/07/785235307.db2.gz GAZDIRZMFNTCLC-CHWSQXEVSA-N 1 0 340.424 -1.335 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)[C@H]1CCN(C)C1=O ZINC001267416762 785234901 /nfs/dbraw/zinc/23/49/01/785234901.db2.gz GAZDIRZMFNTCLC-OLZOCXBDSA-N 1 0 340.424 -1.335 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)[C@@H]1CCN(C)C1=O ZINC001267416763 785234619 /nfs/dbraw/zinc/23/46/19/785234619.db2.gz GAZDIRZMFNTCLC-QWHCGFSZSA-N 1 0 340.424 -1.335 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)[C@H]1CCN(C)C1=O ZINC001267416764 785234753 /nfs/dbraw/zinc/23/47/53/785234753.db2.gz GAZDIRZMFNTCLC-STQMWFEESA-N 1 0 340.424 -1.335 20 0 EAADRO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001267418515 785235279 /nfs/dbraw/zinc/23/52/79/785235279.db2.gz CMRWQKJIXRMIPK-LLVKDONJSA-N 1 0 334.442 -1.453 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)c1c[nH]c(=O)cn1 ZINC001267419614 785234781 /nfs/dbraw/zinc/23/47/81/785234781.db2.gz PDJYHXYNLAHPEY-LLVKDONJSA-N 1 0 337.380 -1.416 20 0 EAADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)c1c[nH]c(=O)cn1 ZINC001267419615 785234469 /nfs/dbraw/zinc/23/44/69/785234469.db2.gz PDJYHXYNLAHPEY-NSHDSACASA-N 1 0 337.380 -1.416 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001267420253 785234361 /nfs/dbraw/zinc/23/43/61/785234361.db2.gz WTGILIHKXVFDCM-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001267420525 785234555 /nfs/dbraw/zinc/23/45/55/785234555.db2.gz BNAXXAJRVMEKES-GHMZBOCLSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001267420526 785235335 /nfs/dbraw/zinc/23/53/35/785235335.db2.gz BNAXXAJRVMEKES-MNOVXSKESA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001267420527 785234869 /nfs/dbraw/zinc/23/48/69/785234869.db2.gz BNAXXAJRVMEKES-QWRGUYRKSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001267420528 785235093 /nfs/dbraw/zinc/23/50/93/785235093.db2.gz BNAXXAJRVMEKES-WDEREUQCSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001267421168 785235063 /nfs/dbraw/zinc/23/50/63/785235063.db2.gz TUOMDXKBSMSLCV-GHMZBOCLSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001267421169 785234592 /nfs/dbraw/zinc/23/45/92/785234592.db2.gz TUOMDXKBSMSLCV-MNOVXSKESA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001267421170 785235169 /nfs/dbraw/zinc/23/51/69/785235169.db2.gz TUOMDXKBSMSLCV-QWRGUYRKSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001267421171 785234487 /nfs/dbraw/zinc/23/44/87/785234487.db2.gz TUOMDXKBSMSLCV-WDEREUQCSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001267421271 785234657 /nfs/dbraw/zinc/23/46/57/785234657.db2.gz WNRJXWHGOKUCAF-SECBINFHSA-N 1 0 340.384 -1.954 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001267421272 785235749 /nfs/dbraw/zinc/23/57/49/785235749.db2.gz WNRJXWHGOKUCAF-VIFPVBQESA-N 1 0 340.384 -1.954 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001267421315 785236773 /nfs/dbraw/zinc/23/67/73/785236773.db2.gz XIRSHAOZOXHIHZ-JTQLQIEISA-N 1 0 337.384 -1.306 20 0 EAADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001267421316 785236344 /nfs/dbraw/zinc/23/63/44/785236344.db2.gz XIRSHAOZOXHIHZ-SNVBAGLBSA-N 1 0 337.384 -1.306 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001267421340 785235974 /nfs/dbraw/zinc/23/59/74/785235974.db2.gz YBIRRTFWOIQQKX-SECBINFHSA-N 1 0 328.373 -2.048 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001267421341 785236385 /nfs/dbraw/zinc/23/63/85/785236385.db2.gz YBIRRTFWOIQQKX-VIFPVBQESA-N 1 0 328.373 -2.048 20 0 EAADRO COCc1ccc(CNC(=O)C[NH2+]CCN(C)C(=O)C(N)=O)cc1 ZINC001267421511 785236787 /nfs/dbraw/zinc/23/67/87/785236787.db2.gz DQGCHBBEXNYOLP-UHFFFAOYSA-N 1 0 336.392 -1.018 20 0 EAADRO COCc1cccc(CNC(=O)C[NH2+]CCN(C)C(=O)C(N)=O)c1 ZINC001267421589 785235958 /nfs/dbraw/zinc/23/59/58/785235958.db2.gz HFMUAAYRHVSEDL-UHFFFAOYSA-N 1 0 336.392 -1.018 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)C1(C(N)=O)CC1 ZINC001267421629 785235917 /nfs/dbraw/zinc/23/59/17/785235917.db2.gz JFZIFEXOHMUCMU-UHFFFAOYSA-N 1 0 325.369 -1.712 20 0 EAADRO CN(CC[NH2+]CC(=O)NCCOc1cccc(F)c1)C(=O)C(N)=O ZINC001267421680 785236235 /nfs/dbraw/zinc/23/62/35/785236235.db2.gz LGZODWPDWHGXET-UHFFFAOYSA-N 1 0 340.355 -1.146 20 0 EAADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]CCN(C)C(=O)C(N)=O)c1 ZINC001267421711 785236270 /nfs/dbraw/zinc/23/62/70/785236270.db2.gz MVSFUXMURLRHMA-UHFFFAOYSA-N 1 0 342.421 -1.030 20 0 EAADRO CCNC(=O)c1cccc(NC(=O)C[NH2+]CCN(C)C(=O)C(N)=O)c1 ZINC001267421718 785236108 /nfs/dbraw/zinc/23/61/08/785236108.db2.gz NABYEYRXGZHZRQ-UHFFFAOYSA-N 1 0 349.391 -1.092 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NCc1ccccc1)C(=O)C(N)=O ZINC001267421844 785236221 /nfs/dbraw/zinc/23/62/21/785236221.db2.gz RUVAMXOXXQNGSI-UHFFFAOYSA-N 1 0 335.364 -1.454 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)C(N)=O ZINC001267421893 785236038 /nfs/dbraw/zinc/23/60/38/785236038.db2.gz UNBWQBCYEJWZRR-SECBINFHSA-N 1 0 334.398 -2.835 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)C(N)=O ZINC001267421894 785236757 /nfs/dbraw/zinc/23/67/57/785236757.db2.gz UNBWQBCYEJWZRR-VIFPVBQESA-N 1 0 334.398 -2.835 20 0 EAADRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]CCN(C)C(=O)C(N)=O)c1 ZINC001267421906 785236160 /nfs/dbraw/zinc/23/61/60/785236160.db2.gz UUGNXBHPJNWXDB-UHFFFAOYSA-N 1 0 349.391 -1.140 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NCc1cccs1)C(=O)C(N)=O ZINC001267422141 785236293 /nfs/dbraw/zinc/23/62/93/785236293.db2.gz FJFKPSHOJXYABJ-UHFFFAOYSA-N 1 0 341.393 -1.393 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001267424890 785236831 /nfs/dbraw/zinc/23/68/31/785236831.db2.gz GTLSPAMTPPTGJP-INIZCTEOSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@]2(C)CCC(=O)N2)CCO1 ZINC001267426026 785237000 /nfs/dbraw/zinc/23/70/00/785237000.db2.gz GBQMNPFCTDJLNT-LRDDRELGSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@]2(C)CCC(=O)N2)CCO1 ZINC001267426028 785237034 /nfs/dbraw/zinc/23/70/34/785237034.db2.gz GBQMNPFCTDJLNT-WBMJQRKESA-N 1 0 340.424 -1.050 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@]1(C)CCNC1=O ZINC001267426805 785236847 /nfs/dbraw/zinc/23/68/47/785236847.db2.gz ANTOPLMBECPQHO-AWEZNQCLSA-N 1 0 346.453 -1.404 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@]1(C)CCNC1=O ZINC001267426806 785235764 /nfs/dbraw/zinc/23/57/64/785235764.db2.gz ANTOPLMBECPQHO-CQSZACIVSA-N 1 0 346.453 -1.404 20 0 EAADRO CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267427647 785236862 /nfs/dbraw/zinc/23/68/62/785236862.db2.gz PYAXYEDLCBTPAV-VHSXEESVSA-N 1 0 336.414 -2.384 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267428181 785236252 /nfs/dbraw/zinc/23/62/52/785236252.db2.gz YZTXMKBMMSXIEX-FRRDWIJNSA-N 1 0 340.424 -1.016 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267428182 785236132 /nfs/dbraw/zinc/23/61/32/785236132.db2.gz YZTXMKBMMSXIEX-RWMBFGLXSA-N 1 0 340.424 -1.016 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001267429060 785235985 /nfs/dbraw/zinc/23/59/85/785235985.db2.gz MPYLFIZIKAQMOF-ZJUUUORDSA-N 1 0 341.412 -1.220 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001267429147 785236101 /nfs/dbraw/zinc/23/61/01/785236101.db2.gz QRIVZUNLUOEUTJ-TUAOUCFPSA-N 1 0 326.397 -1.861 20 0 EAADRO C[C@@H](C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001267429518 785236372 /nfs/dbraw/zinc/23/63/72/785236372.db2.gz FNVAJPLAJDWAPY-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001267429519 785236562 /nfs/dbraw/zinc/23/65/62/785236562.db2.gz FNVAJPLAJDWAPY-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)[C@@H]1CCC(=O)N1 ZINC001267429520 785236085 /nfs/dbraw/zinc/23/60/85/785236085.db2.gz FNVAJPLAJDWAPY-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)[C@H]1CCC(=O)N1 ZINC001267429521 785236817 /nfs/dbraw/zinc/23/68/17/785236817.db2.gz FNVAJPLAJDWAPY-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO CN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001267430214 785235792 /nfs/dbraw/zinc/23/57/92/785235792.db2.gz UGTFFGALNIHKNM-GFCCVEGCSA-N 1 0 333.400 -1.035 20 0 EAADRO CN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001267430215 785235949 /nfs/dbraw/zinc/23/59/49/785235949.db2.gz UGTFFGALNIHKNM-LBPRGKRZSA-N 1 0 333.400 -1.035 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001267430292 785236055 /nfs/dbraw/zinc/23/60/55/785236055.db2.gz WYVDEWYCZHRBQH-GHMZBOCLSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001267430293 785236677 /nfs/dbraw/zinc/23/66/77/785236677.db2.gz WYVDEWYCZHRBQH-MNOVXSKESA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001267430294 785236971 /nfs/dbraw/zinc/23/69/71/785236971.db2.gz WYVDEWYCZHRBQH-QWRGUYRKSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001267430395 785236525 /nfs/dbraw/zinc/23/65/25/785236525.db2.gz WYVDEWYCZHRBQH-WDEREUQCSA-N 1 0 341.412 -1.205 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001267430661 785238443 /nfs/dbraw/zinc/23/84/43/785238443.db2.gz SPVLCTSBRNWCIO-NEPJUHHUSA-N 1 0 326.397 -1.549 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267430710 785238693 /nfs/dbraw/zinc/23/86/93/785238693.db2.gz GKHJGUNMDGDMET-LLVKDONJSA-N 1 0 327.385 -1.499 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267430711 785238130 /nfs/dbraw/zinc/23/81/30/785238130.db2.gz GKHJGUNMDGDMET-NSHDSACASA-N 1 0 327.385 -1.499 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267433118 785236653 /nfs/dbraw/zinc/23/66/53/785236653.db2.gz NNOOHTIHSVMLJM-BDAKNGLRSA-N 1 0 334.398 -2.223 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267433119 785236879 /nfs/dbraw/zinc/23/68/79/785236879.db2.gz NNOOHTIHSVMLJM-DTWKUNHWSA-N 1 0 334.398 -2.223 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267433120 785236304 /nfs/dbraw/zinc/23/63/04/785236304.db2.gz NNOOHTIHSVMLJM-IUCAKERBSA-N 1 0 334.398 -2.223 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267433121 785236441 /nfs/dbraw/zinc/23/64/41/785236441.db2.gz NNOOHTIHSVMLJM-RKDXNWHRSA-N 1 0 334.398 -2.223 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]CCS(C)(=O)=O ZINC001267433663 785236802 /nfs/dbraw/zinc/23/68/02/785236802.db2.gz WNPUEEJHHOSGKB-SECBINFHSA-N 1 0 329.444 -1.983 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]CCS(C)(=O)=O ZINC001267433664 785236937 /nfs/dbraw/zinc/23/69/37/785236937.db2.gz WNPUEEJHHOSGKB-VIFPVBQESA-N 1 0 329.444 -1.983 20 0 EAADRO CN(CC[NH2+]CC(=O)NCC(C)(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267433759 785236407 /nfs/dbraw/zinc/23/64/07/785236407.db2.gz BLLFRAIJCQRGLV-JTQLQIEISA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cn1ccc(C)cc1=O ZINC001267433811 785236019 /nfs/dbraw/zinc/23/60/19/785236019.db2.gz MQOGLQMVCBBKAT-UHFFFAOYSA-N 1 0 337.380 -1.340 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]CCc1ccnn1C ZINC001267433868 785236432 /nfs/dbraw/zinc/23/64/32/785236432.db2.gz ZGLKVJOQPDYNQJ-LLVKDONJSA-N 1 0 331.442 -1.052 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]CCc1ccnn1C ZINC001267433870 785236921 /nfs/dbraw/zinc/23/69/21/785236921.db2.gz ZGLKVJOQPDYNQJ-NSHDSACASA-N 1 0 331.442 -1.052 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1cnn(C)c1 ZINC001267433976 785236479 /nfs/dbraw/zinc/23/64/79/785236479.db2.gz OWMPQJVNPWUJDO-UHFFFAOYSA-N 1 0 332.430 -1.636 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267434272 785237016 /nfs/dbraw/zinc/23/70/16/785237016.db2.gz ISNZPHLSIZUDNB-VIFPVBQESA-N 1 0 327.385 -1.453 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C(C)(C)S(C)(=O)=O ZINC001267434465 785236575 /nfs/dbraw/zinc/23/65/75/785236575.db2.gz CCNCENJFYWVSNV-SECBINFHSA-N 1 0 333.410 -1.337 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C(C)(C)S(C)(=O)=O ZINC001267434466 785236395 /nfs/dbraw/zinc/23/63/95/785236395.db2.gz CCNCENJFYWVSNV-VIFPVBQESA-N 1 0 333.410 -1.337 20 0 EAADRO Cc1nocc1C[NH2+]CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001267434476 785235856 /nfs/dbraw/zinc/23/58/56/785235856.db2.gz CPMOJWIQRDEANA-UHFFFAOYSA-N 1 0 337.336 -1.048 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267434749 785235933 /nfs/dbraw/zinc/23/59/33/785235933.db2.gz OKLJYVMQPYVJBX-JTQLQIEISA-N 1 0 341.368 -2.509 20 0 EAADRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 ZINC001267435071 785235896 /nfs/dbraw/zinc/23/58/96/785235896.db2.gz SGAQXSCHOHYJHO-JTQLQIEISA-N 1 0 336.352 -1.369 20 0 EAADRO CN(CC[NH2+]CCn1cccn1)C(=O)Cn1ncn2nccc2c1=O ZINC001267435090 785236216 /nfs/dbraw/zinc/23/62/16/785236216.db2.gz LXQUJDKKELMDPB-UHFFFAOYSA-N 1 0 344.379 -1.164 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267435148 785236929 /nfs/dbraw/zinc/23/69/29/785236929.db2.gz UIPJHMYIMFYCDO-JTQLQIEISA-N 1 0 348.425 -1.543 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267435212 785236642 /nfs/dbraw/zinc/23/66/42/785236642.db2.gz VDROPHSANLIXRC-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267435525 785237856 /nfs/dbraw/zinc/23/78/56/785237856.db2.gz SQXLWJNSBJYXJE-UHFFFAOYSA-N 1 0 325.369 -2.166 20 0 EAADRO CN(CC[NH2+]CCc1cnn(C)c1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267435709 785238777 /nfs/dbraw/zinc/23/87/77/785238777.db2.gz YMZJLISCNCBVBE-UHFFFAOYSA-N 1 0 348.407 -1.278 20 0 EAADRO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001267436081 785238578 /nfs/dbraw/zinc/23/85/78/785238578.db2.gz HONOTYABAITPSF-MRVPVSSYSA-N 1 0 325.325 -2.657 20 0 EAADRO CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001267436086 785238471 /nfs/dbraw/zinc/23/84/71/785238471.db2.gz HONOTYABAITPSF-QMMMGPOBSA-N 1 0 325.325 -2.657 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1snnc1C)C(N)=O ZINC001267436419 785237482 /nfs/dbraw/zinc/23/74/82/785237482.db2.gz FFZSPPCZIPDATB-JTQLQIEISA-N 1 0 342.425 -1.225 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1cc(C)no1)C(N)=O ZINC001267436450 785238359 /nfs/dbraw/zinc/23/83/59/785238359.db2.gz FSRSLLAHIBULQZ-LBPRGKRZSA-N 1 0 325.369 -1.089 20 0 EAADRO COc1cncc(C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)n1 ZINC001267437346 785238708 /nfs/dbraw/zinc/23/87/08/785238708.db2.gz RLZVLQGKHJGYRX-UHFFFAOYSA-N 1 0 331.398 -1.304 20 0 EAADRO CN(CC[NH2+]CCn1cncn1)C(=O)C(C)(C)NS(C)(=O)=O ZINC001267438121 785237936 /nfs/dbraw/zinc/23/79/36/785237936.db2.gz DNFZHHZLWPVVGQ-UHFFFAOYSA-N 1 0 332.430 -1.346 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cn1nnnc1C(C)C ZINC001267438238 785237803 /nfs/dbraw/zinc/23/78/03/785237803.db2.gz GXAZGTJYLZCZQS-UHFFFAOYSA-N 1 0 340.388 -1.700 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001267438425 785237432 /nfs/dbraw/zinc/23/74/32/785237432.db2.gz KKGYEZJSKBVXCG-LBPRGKRZSA-N 1 0 346.457 -1.063 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1cnc2cccnn21 ZINC001267438554 785237799 /nfs/dbraw/zinc/23/77/99/785237799.db2.gz NYMXPSBPOIXLRT-UHFFFAOYSA-N 1 0 333.352 -1.154 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001267438877 785238831 /nfs/dbraw/zinc/23/88/31/785238831.db2.gz WKLSOLKJMJSPPE-UHFFFAOYSA-N 1 0 336.458 -1.113 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)CCc1cn[nH]c1 ZINC001267439288 785238378 /nfs/dbraw/zinc/23/83/78/785238378.db2.gz AZHQREAELPZKQS-UHFFFAOYSA-N 1 0 348.407 -1.012 20 0 EAADRO Cc1c[nH]c(C(=O)N(C)CC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)n1 ZINC001267439472 785237629 /nfs/dbraw/zinc/23/76/29/785237629.db2.gz JOVCKBCMXLBYCW-LLVKDONJSA-N 1 0 337.380 -1.110 20 0 EAADRO Cc1c[nH]c(C(=O)N(C)CC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001267439473 785238420 /nfs/dbraw/zinc/23/84/20/785238420.db2.gz JOVCKBCMXLBYCW-NSHDSACASA-N 1 0 337.380 -1.110 20 0 EAADRO CCNC(=O)C[NH2+]CCN(C)C(=O)C1(n2cnnn2)CCOCC1 ZINC001267439656 785237752 /nfs/dbraw/zinc/23/77/52/785237752.db2.gz QPCVDIATVCNIPW-UHFFFAOYSA-N 1 0 339.400 -1.637 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1ccc(C(N)=O)s1 ZINC001267440182 785238779 /nfs/dbraw/zinc/23/87/79/785238779.db2.gz KPLNYMPDNUDWQC-UHFFFAOYSA-N 1 0 341.393 -1.036 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001267440255 785237996 /nfs/dbraw/zinc/23/79/96/785237996.db2.gz NAMOKRUPDDPUKN-UHFFFAOYSA-N 1 0 347.437 -1.088 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O ZINC001267441277 785238746 /nfs/dbraw/zinc/23/87/46/785238746.db2.gz NWIIPHCGWIFFAQ-UHFFFAOYSA-N 1 0 336.458 -1.160 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001267441303 785238488 /nfs/dbraw/zinc/23/84/88/785238488.db2.gz KSAMLBFTXIZBKD-OLZOCXBDSA-N 1 0 340.424 -1.314 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001267441304 785238680 /nfs/dbraw/zinc/23/86/80/785238680.db2.gz KSAMLBFTXIZBKD-STQMWFEESA-N 1 0 340.424 -1.314 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)c1nc2ncccn2n1 ZINC001267442474 785237814 /nfs/dbraw/zinc/23/78/14/785237814.db2.gz QCTXSJRBZIOIGR-UHFFFAOYSA-N 1 0 345.363 -1.065 20 0 EAADRO CCn1nc(C(=O)N(C)CC[NH2+][C@H]2CCC(=O)NC2=O)ccc1=O ZINC001267442556 785238079 /nfs/dbraw/zinc/23/80/79/785238079.db2.gz ULBZJUXAMFOIHM-JTQLQIEISA-N 1 0 335.364 -1.270 20 0 EAADRO CCn1nc(C(=O)N(C)CC[NH2+][C@@H]2CCC(=O)NC2=O)ccc1=O ZINC001267442557 785237641 /nfs/dbraw/zinc/23/76/41/785237641.db2.gz ULBZJUXAMFOIHM-SNVBAGLBSA-N 1 0 335.364 -1.270 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)c1ccncn1)C(=O)N(C)C ZINC001267442626 785238551 /nfs/dbraw/zinc/23/85/51/785238551.db2.gz WJSBBZDQIOXIAE-LLVKDONJSA-N 1 0 336.396 -1.269 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)c1ccncn1)C(=O)N(C)C ZINC001267442627 785238402 /nfs/dbraw/zinc/23/84/02/785238402.db2.gz WJSBBZDQIOXIAE-NSHDSACASA-N 1 0 336.396 -1.269 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cc2ncccn2n1 ZINC001267443566 785237726 /nfs/dbraw/zinc/23/77/26/785237726.db2.gz FWAILPSLBWQXLK-UHFFFAOYSA-N 1 0 345.363 -1.057 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)c1ncccn1 ZINC001267443785 785238807 /nfs/dbraw/zinc/23/88/07/785238807.db2.gz LPSTUWROCSXXSZ-UHFFFAOYSA-N 1 0 348.407 -1.138 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(=O)c1ncccn1 ZINC001267444150 785238463 /nfs/dbraw/zinc/23/84/63/785238463.db2.gz URBJWFNHPOPQAQ-LLVKDONJSA-N 1 0 335.364 -1.352 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(=O)c1ncccn1 ZINC001267444152 785238250 /nfs/dbraw/zinc/23/82/50/785238250.db2.gz URBJWFNHPOPQAQ-NSHDSACASA-N 1 0 335.364 -1.352 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)CCn1cnnn1 ZINC001267444857 785238792 /nfs/dbraw/zinc/23/87/92/785238792.db2.gz QHMXSYVFMBIERE-UHFFFAOYSA-N 1 0 338.372 -1.901 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@@]1(C)CCOC1 ZINC001267446172 785237584 /nfs/dbraw/zinc/23/75/84/785237584.db2.gz MZXKFXIOGHUMCB-HNNXBMFYSA-N 1 0 326.397 -1.581 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@]1(C)CCOC1 ZINC001267446173 785237681 /nfs/dbraw/zinc/23/76/81/785237681.db2.gz MZXKFXIOGHUMCB-OAHLLOKOSA-N 1 0 326.397 -1.581 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)c1cnc2c(cnn2C)c1 ZINC001267446687 785238097 /nfs/dbraw/zinc/23/80/97/785238097.db2.gz XANIAXCRTDNPSX-UHFFFAOYSA-N 1 0 333.352 -1.175 20 0 EAADRO COC[C@@H](O)C[NH2+]CCN(C)C(=O)Cn1c(C)cc(C)nc1=O ZINC001267447181 785238840 /nfs/dbraw/zinc/23/88/40/785238840.db2.gz LEXDZZYMMUANKW-ZDUSSCGKSA-N 1 0 326.397 -1.085 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(=O)NCC1CC1 ZINC001267447207 785238294 /nfs/dbraw/zinc/23/82/94/785238294.db2.gz LXEHPBDQQBHHKM-JTQLQIEISA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C(=O)NCC1CC1 ZINC001267447208 785238425 /nfs/dbraw/zinc/23/84/25/785238425.db2.gz LXEHPBDQQBHHKM-SNVBAGLBSA-N 1 0 341.412 -1.205 20 0 EAADRO C[C@@H]1C[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001267447285 785237771 /nfs/dbraw/zinc/23/77/71/785237771.db2.gz OARXCMCUPBOALD-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001267447286 785238735 /nfs/dbraw/zinc/23/87/35/785238735.db2.gz OARXCMCUPBOALD-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1C[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001267447287 785238336 /nfs/dbraw/zinc/23/83/36/785238336.db2.gz OARXCMCUPBOALD-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)CCO1 ZINC001267447288 785238232 /nfs/dbraw/zinc/23/82/32/785238232.db2.gz OARXCMCUPBOALD-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)C(=O)NCC1CC1 ZINC001267447655 785238754 /nfs/dbraw/zinc/23/87/54/785238754.db2.gz YNNKRHAMBMOLCC-UHFFFAOYSA-N 1 0 340.424 -1.144 20 0 EAADRO Cc1cc(=O)c(C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)c[nH]1 ZINC001267448320 785238532 /nfs/dbraw/zinc/23/85/32/785238532.db2.gz DUFZLTRVOBRWAC-UHFFFAOYSA-N 1 0 330.410 -1.106 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1cn(CC)nn1 ZINC001267448894 785237838 /nfs/dbraw/zinc/23/78/38/785237838.db2.gz QPRXQNIHXDEEJG-UHFFFAOYSA-N 1 0 325.373 -1.195 20 0 EAADRO Cc1nonc1CC(=O)N(C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001267450331 785238800 /nfs/dbraw/zinc/23/88/00/785238800.db2.gz PBWUKWONUOQRGR-UHFFFAOYSA-N 1 0 325.369 -1.173 20 0 EAADRO Cc1nonc1CC(=O)N(C)CC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001267450352 785238155 /nfs/dbraw/zinc/23/81/55/785238155.db2.gz QBNGCZYYWYTVKV-LBPRGKRZSA-N 1 0 339.396 -1.048 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)CN1CCC(=O)NC1=O ZINC001267452083 785238312 /nfs/dbraw/zinc/23/83/12/785238312.db2.gz BRRPCMAVRCQZTA-UHFFFAOYSA-N 1 0 334.398 -1.979 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[NH2+]Cc1ccnn1C ZINC001267452436 785237653 /nfs/dbraw/zinc/23/76/53/785237653.db2.gz KGKVQGMWITUXLI-NSHDSACASA-N 1 0 349.399 -1.841 20 0 EAADRO CN(CC[NH2+]CCc1cnn(C)c1)C(=O)CN1CCC(=O)NC1=O ZINC001267452748 785238788 /nfs/dbraw/zinc/23/87/88/785238788.db2.gz RMVSHYIYZVWIRT-UHFFFAOYSA-N 1 0 336.396 -1.048 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001267452989 785238141 /nfs/dbraw/zinc/23/81/41/785238141.db2.gz YUWSYIVTVGAJBN-FSIBCCDJSA-N 1 0 329.792 -1.022 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001267452990 785238519 /nfs/dbraw/zinc/23/85/19/785238519.db2.gz YUWSYIVTVGAJBN-XOULXFPDSA-N 1 0 329.792 -1.022 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[NH2+]Cc1ccnn1C ZINC001267454948 785237415 /nfs/dbraw/zinc/23/74/15/785237415.db2.gz KGKVQGMWITUXLI-LLVKDONJSA-N 1 0 349.399 -1.841 20 0 EAADRO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)Cc1nnc[nH]1 ZINC001267455415 785240577 /nfs/dbraw/zinc/24/05/77/785240577.db2.gz PEVQTXADXGYJOZ-UHFFFAOYSA-N 1 0 330.414 -1.569 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001267455739 785238590 /nfs/dbraw/zinc/23/85/90/785238590.db2.gz DUSUDRSIPLSRFP-UHFFFAOYSA-N 1 0 337.340 -1.113 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001267455822 785238169 /nfs/dbraw/zinc/23/81/69/785238169.db2.gz YUWSYIVTVGAJBN-HMDXOVGESA-N 1 0 329.792 -1.022 20 0 EAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001267455823 785238564 /nfs/dbraw/zinc/23/85/64/785238564.db2.gz YUWSYIVTVGAJBN-UMBAGQNISA-N 1 0 329.792 -1.022 20 0 EAADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001267456228 785239884 /nfs/dbraw/zinc/23/98/84/785239884.db2.gz QAXSXGUEKGYXSM-UHFFFAOYSA-N 1 0 339.352 -1.163 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)Cc1cncn1C ZINC001267456403 785240484 /nfs/dbraw/zinc/24/04/84/785240484.db2.gz WGLBEWMVVWCSPN-UHFFFAOYSA-N 1 0 336.396 -1.001 20 0 EAADRO CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1cccn(C)c1=O ZINC001267457058 785239581 /nfs/dbraw/zinc/23/95/81/785239581.db2.gz BGZOTQSOCQORGC-UHFFFAOYSA-N 1 0 349.391 -1.011 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001267457605 785239825 /nfs/dbraw/zinc/23/98/25/785239825.db2.gz MOYVUMIBUUQBNE-MNOVXSKESA-N 1 0 341.412 -2.094 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001267457606 785239661 /nfs/dbraw/zinc/23/96/61/785239661.db2.gz MOYVUMIBUUQBNE-QWRGUYRKSA-N 1 0 341.412 -2.094 20 0 EAADRO CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457829 785240313 /nfs/dbraw/zinc/24/03/13/785240313.db2.gz WHNFJDAPXHVGEH-JSGCOSHPSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457830 785239243 /nfs/dbraw/zinc/23/92/43/785239243.db2.gz WHNFJDAPXHVGEH-OCCSQVGLSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457876 785239194 /nfs/dbraw/zinc/23/91/94/785239194.db2.gz YQSBJGFPSPQLCW-NSHDSACASA-N 1 0 337.380 -2.089 20 0 EAADRO CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1cc(Cl)no1 ZINC001267458061 785239874 /nfs/dbraw/zinc/23/98/74/785239874.db2.gz GSSGSURMJJJATH-UHFFFAOYSA-N 1 0 343.771 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)c1cnn(C)c1OC ZINC001267461260 785239861 /nfs/dbraw/zinc/23/98/61/785239861.db2.gz JKRWAFCWVRQFSV-UHFFFAOYSA-N 1 0 326.357 -1.454 20 0 EAADRO COc1c(C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)cnn1C ZINC001267461637 785240456 /nfs/dbraw/zinc/24/04/56/785240456.db2.gz XOMIZUXUBYRCMH-UHFFFAOYSA-N 1 0 347.441 -1.018 20 0 EAADRO COc1nccc(C[NH2+]CCN(C)C(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001267461782 785239758 /nfs/dbraw/zinc/23/97/58/785239758.db2.gz AYDIDNIRZDLBKH-UHFFFAOYSA-N 1 0 349.395 -1.063 20 0 EAADRO Cc1nn(CC(=O)N(C)CC[NH2+][C@H]2CCC(=O)NC2=O)c(=O)n1C ZINC001267462182 785239432 /nfs/dbraw/zinc/23/94/32/785239432.db2.gz HLANKPFKHFRSJK-JTQLQIEISA-N 1 0 338.368 -2.257 20 0 EAADRO Cc1nn(CC(=O)N(C)CC[NH2+][C@@H]2CCC(=O)NC2=O)c(=O)n1C ZINC001267462185 785239338 /nfs/dbraw/zinc/23/93/38/785239338.db2.gz HLANKPFKHFRSJK-SNVBAGLBSA-N 1 0 338.368 -2.257 20 0 EAADRO Cc1nn(CC(=O)N(C)CC[NH2+]C[C@H]2CCc3ncnn32)c(=O)n1C ZINC001267462329 785239571 /nfs/dbraw/zinc/23/95/71/785239571.db2.gz IYAADNOEDONANE-GFCCVEGCSA-N 1 0 348.411 -1.283 20 0 EAADRO Cc1nn(CC(=O)N(C)CC[NH2+]C[C@@H]2CCc3ncnn32)c(=O)n1C ZINC001267462333 785240449 /nfs/dbraw/zinc/24/04/49/785240449.db2.gz IYAADNOEDONANE-LBPRGKRZSA-N 1 0 348.411 -1.283 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CCc1cncn1C ZINC001267462865 785240379 /nfs/dbraw/zinc/24/03/79/785240379.db2.gz PCWJBRMRCVXDFW-UHFFFAOYSA-N 1 0 336.396 -1.048 20 0 EAADRO Cc1nn(CC(=O)N(C)CC[NH2+]CCc2ccnn2C)c(=O)n1C ZINC001267463343 785240135 /nfs/dbraw/zinc/24/01/35/785240135.db2.gz UNIXNUKFIUGMIG-UHFFFAOYSA-N 1 0 335.412 -1.086 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001267463452 785240408 /nfs/dbraw/zinc/24/04/08/785240408.db2.gz VVQQVXYOQPQLLX-LLVKDONJSA-N 1 0 341.412 -1.109 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001267463453 785239479 /nfs/dbraw/zinc/23/94/79/785239479.db2.gz VVQQVXYOQPQLLX-NSHDSACASA-N 1 0 341.412 -1.109 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)CNC(=O)Cc1ccccc1 ZINC001267464617 785241341 /nfs/dbraw/zinc/24/13/41/785241341.db2.gz XKVADWHYJLWDLA-UHFFFAOYSA-N 1 0 349.391 -1.412 20 0 EAADRO CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001267465189 785241414 /nfs/dbraw/zinc/24/14/14/785241414.db2.gz ADYFKICOFAJYRC-UHFFFAOYSA-N 1 0 341.412 -1.299 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001267465270 785241825 /nfs/dbraw/zinc/24/18/25/785241825.db2.gz BKRWMUPTQMVLOM-LLVKDONJSA-N 1 0 339.396 -1.357 20 0 EAADRO CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267465271 785241726 /nfs/dbraw/zinc/24/17/26/785241726.db2.gz BKRWMUPTQMVLOM-NSHDSACASA-N 1 0 339.396 -1.357 20 0 EAADRO CCN(CC)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267465272 785241198 /nfs/dbraw/zinc/24/11/98/785241198.db2.gz BOTMZWVWFBFRAL-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO CCN(CC)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267465273 785241571 /nfs/dbraw/zinc/24/15/71/785241571.db2.gz BOTMZWVWFBFRAL-NSHDSACASA-N 1 0 341.412 -1.157 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CN1C(=O)CCC1=O ZINC001267465282 785241834 /nfs/dbraw/zinc/24/18/34/785241834.db2.gz BPSRDBORWVLFAP-UHFFFAOYSA-N 1 0 339.352 -2.265 20 0 EAADRO 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RYFOVYBUHHFIJI-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CCCN1C(=O)CNC1=O ZINC001267468360 785241325 /nfs/dbraw/zinc/24/13/25/785241325.db2.gz RYFOVYBUHHFIJI-NSHDSACASA-N 1 0 339.396 -1.403 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001267468763 785241444 /nfs/dbraw/zinc/24/14/44/785241444.db2.gz CBJMOLDWWDBINJ-UHFFFAOYSA-N 1 0 348.469 -1.757 20 0 EAADRO CN(CC[NH2+]CCn1cncn1)C(=O)CN1CCS(=O)(=O)CC1 ZINC001267469365 785241295 /nfs/dbraw/zinc/24/12/95/785241295.db2.gz JVTFXPRMZLBVAS-UHFFFAOYSA-N 1 0 344.441 -1.944 20 0 EAADRO C[C@@H](O)CCC[NH2+]CCN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001267469753 785241267 /nfs/dbraw/zinc/24/12/67/785241267.db2.gz QBLAQBMWPUOHPV-CYBMUJFWSA-N 1 0 335.470 -1.074 20 0 EAADRO C[C@H](O)CCC[NH2+]CCN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001267469755 785241927 /nfs/dbraw/zinc/24/19/27/785241927.db2.gz QBLAQBMWPUOHPV-ZDUSSCGKSA-N 1 0 335.470 -1.074 20 0 EAADRO CN(CC[NH2+]CCN1CCCC1=O)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001267469962 785241044 /nfs/dbraw/zinc/24/10/44/785241044.db2.gz RKCOWBMJGAMVOM-UHFFFAOYSA-N 1 0 337.380 -1.230 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267470277 785241684 /nfs/dbraw/zinc/24/16/84/785241684.db2.gz IRSVGWFDSDMEPW-GFCCVEGCSA-N 1 0 329.426 -1.032 20 0 EAADRO CN(CC[NH2+]Cc1ccnn1C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001267470392 785243128 /nfs/dbraw/zinc/24/31/28/785243128.db2.gz WFPSYCNLNZGOII-UHFFFAOYSA-N 1 0 343.453 -1.302 20 0 EAADRO Cc1nn(C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267470497 785241393 /nfs/dbraw/zinc/24/13/93/785241393.db2.gz IRSVGWFDSDMEPW-LBPRGKRZSA-N 1 0 329.426 -1.032 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267470568 785243071 /nfs/dbraw/zinc/24/30/71/785243071.db2.gz JVTHDPXKIHSZFG-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267470571 785243318 /nfs/dbraw/zinc/24/33/18/785243318.db2.gz JVTHDPXKIHSZFG-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267470573 785242747 /nfs/dbraw/zinc/24/27/47/785242747.db2.gz JVTHDPXKIHSZFG-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267470575 785243329 /nfs/dbraw/zinc/24/33/29/785243329.db2.gz JVTHDPXKIHSZFG-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)CNC(=O)c1ccsc1 ZINC001267470579 785242974 /nfs/dbraw/zinc/24/29/74/785242974.db2.gz JYZQKHSDVIXRQP-UHFFFAOYSA-N 1 0 341.393 -1.279 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1cc(=O)c(OC)co1 ZINC001267471181 785243174 /nfs/dbraw/zinc/24/31/74/785243174.db2.gz YENVAOHNSJKALW-UHFFFAOYSA-N 1 0 347.393 -1.254 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCCS1(=O)=O ZINC001267471515 785242987 /nfs/dbraw/zinc/24/29/87/785242987.db2.gz JFUMJNIPQNLGPS-NXEZZACHSA-N 1 0 331.394 -1.583 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCS1(=O)=O ZINC001267471516 785242996 /nfs/dbraw/zinc/24/29/96/785242996.db2.gz JFUMJNIPQNLGPS-UWVGGRQHSA-N 1 0 331.394 -1.583 20 0 EAADRO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCCS1(=O)=O ZINC001267471517 785242876 /nfs/dbraw/zinc/24/28/76/785242876.db2.gz JFUMJNIPQNLGPS-VHSXEESVSA-N 1 0 331.394 -1.583 20 0 EAADRO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCS1(=O)=O ZINC001267471518 785242931 /nfs/dbraw/zinc/24/29/31/785242931.db2.gz JFUMJNIPQNLGPS-ZJUUUORDSA-N 1 0 331.394 -1.583 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001267471984 785243219 /nfs/dbraw/zinc/24/32/19/785243219.db2.gz YRJBKKZALIYLRH-SECBINFHSA-N 1 0 334.398 -1.933 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001267471985 785242861 /nfs/dbraw/zinc/24/28/61/785242861.db2.gz YRJBKKZALIYLRH-VIFPVBQESA-N 1 0 334.398 -1.933 20 0 EAADRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)c1cccnc1C(N)=O ZINC001267472785 785242803 /nfs/dbraw/zinc/24/28/03/785242803.db2.gz YGVGOYHPFKLTQR-UHFFFAOYSA-N 1 0 328.394 -1.113 20 0 EAADRO Cc1ncc(C[NH2+]CCN(C)C(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001267473606 785243254 /nfs/dbraw/zinc/24/32/54/785243254.db2.gz HJRLMDIKTDZTKA-UHFFFAOYSA-N 1 0 332.368 -1.276 20 0 EAADRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CCc1cnn(C)c1 ZINC001267473693 785243245 /nfs/dbraw/zinc/24/32/45/785243245.db2.gz NCSPXCUHYWDSST-UHFFFAOYSA-N 1 0 336.396 -1.048 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N(C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001267474322 785242958 /nfs/dbraw/zinc/24/29/58/785242958.db2.gz DYKBHGQZJTZBJE-LLVKDONJSA-N 1 0 347.437 -1.136 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N(C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001267474327 785243339 /nfs/dbraw/zinc/24/33/39/785243339.db2.gz DYKBHGQZJTZBJE-NSHDSACASA-N 1 0 347.437 -1.136 20 0 EAADRO CNC(=O)C[NH2+]CCN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001267474343 785242833 /nfs/dbraw/zinc/24/28/33/785242833.db2.gz QGCYDFCRTBNXEX-UHFFFAOYSA-N 1 0 325.373 -2.226 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001267475395 785243365 /nfs/dbraw/zinc/24/33/65/785243365.db2.gz OPQBBXKJXZMGNK-UHFFFAOYSA-N 1 0 347.441 -1.675 20 0 EAADRO CC(=O)N[C@](C)(C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)C(C)C ZINC001267475458 785242547 /nfs/dbraw/zinc/24/25/47/785242547.db2.gz PLHPLNQOKKMQGF-AWEZNQCLSA-N 1 0 329.401 -1.220 20 0 EAADRO CC(=O)N[C@@](C)(C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)C(C)C ZINC001267475459 785243427 /nfs/dbraw/zinc/24/34/27/785243427.db2.gz PLHPLNQOKKMQGF-CQSZACIVSA-N 1 0 329.401 -1.220 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)c1cn(C)c(=O)n1C ZINC001267475558 785243084 /nfs/dbraw/zinc/24/30/84/785243084.db2.gz QXYIXWSUYQVRKP-LLVKDONJSA-N 1 0 344.437 -1.180 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)c1cn(C)c(=O)n1C ZINC001267475559 785243157 /nfs/dbraw/zinc/24/31/57/785243157.db2.gz QXYIXWSUYQVRKP-NSHDSACASA-N 1 0 344.437 -1.180 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C(C)=O ZINC001267475622 785242734 /nfs/dbraw/zinc/24/27/34/785242734.db2.gz SRXRNUSWWHVDGI-CYBMUJFWSA-N 1 0 348.469 -1.015 20 0 EAADRO 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WIJPQLRNLAVTEL-SRVKXCTJSA-N 1 0 340.380 -1.827 20 0 EAADRO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001267717933 785279504 /nfs/dbraw/zinc/27/95/04/785279504.db2.gz QRCUPKLWYRHLBY-FZMZJTMJSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001267717934 785279318 /nfs/dbraw/zinc/27/93/18/785279318.db2.gz QRCUPKLWYRHLBY-RISCZKNCSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCC(=O)N[C@H]1CC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001267718028 785279477 /nfs/dbraw/zinc/27/94/77/785279477.db2.gz VQDXINFQCMABPF-NWDGAFQWSA-N 1 0 327.381 -1.277 20 0 EAADRO COCCC(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001267718029 785279361 /nfs/dbraw/zinc/27/93/61/785279361.db2.gz VQDXINFQCMABPF-RYUDHWBXSA-N 1 0 327.381 -1.277 20 0 EAADRO CCS(=O)(=O)NCC[N@H+](C)CC1CCN(C(=O)CC(N)=O)CC1 ZINC001267718308 785280409 /nfs/dbraw/zinc/28/04/09/785280409.db2.gz FUAJCCLEMFXMNA-UHFFFAOYSA-N 1 0 348.469 -1.029 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001267718711 785280420 /nfs/dbraw/zinc/28/04/20/785280420.db2.gz DXELYYHFLMNJCM-QWHCGFSZSA-N 1 0 349.453 -1.078 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001267718712 785280130 /nfs/dbraw/zinc/28/01/30/785280130.db2.gz DXELYYHFLMNJCM-STQMWFEESA-N 1 0 349.453 -1.078 20 0 EAADRO O=C(CCc1nnc[nH]1)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267721262 785280351 /nfs/dbraw/zinc/28/03/51/785280351.db2.gz PLMBSFNWFUODBH-NSHDSACASA-N 1 0 349.395 -1.130 20 0 EAADRO O=C(CCn1ccnn1)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267721897 785279987 /nfs/dbraw/zinc/27/99/87/785279987.db2.gz OBSNLODSMRMQEJ-LBPRGKRZSA-N 1 0 349.395 -1.199 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001267722008 785279959 /nfs/dbraw/zinc/27/99/59/785279959.db2.gz SVUDJOOELMFVCO-HNNXBMFYSA-N 1 0 340.424 -1.192 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001267722237 785280225 /nfs/dbraw/zinc/28/02/25/785280225.db2.gz BGGVCZBZQNTELR-QWHCGFSZSA-N 1 0 326.397 -1.392 20 0 EAADRO CCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001267724012 785281502 /nfs/dbraw/zinc/28/15/02/785281502.db2.gz NYUPSAKLPVYPPG-LBPRGKRZSA-N 1 0 336.458 -1.048 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267725324 785282690 /nfs/dbraw/zinc/28/26/90/785282690.db2.gz MYVDUEIWRZQWRH-JTQLQIEISA-N 1 0 339.396 -1.370 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001267726151 785282168 /nfs/dbraw/zinc/28/21/68/785282168.db2.gz TWMKOCJCULZGNV-JTQLQIEISA-N 1 0 325.369 -1.745 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001267727223 785281273 /nfs/dbraw/zinc/28/12/73/785281273.db2.gz KWLCFHCAZDCBRM-AAEUAGOBSA-N 1 0 337.380 -1.435 20 0 EAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC001267727364 785281484 /nfs/dbraw/zinc/28/14/84/785281484.db2.gz DUOKTMCAGDLXJY-NSHDSACASA-N 1 0 334.367 -1.110 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001267728092 785281127 /nfs/dbraw/zinc/28/11/27/785281127.db2.gz URTKKHANAPHHBQ-NWDGAFQWSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001267728095 785281107 /nfs/dbraw/zinc/28/11/07/785281107.db2.gz URTKKHANAPHHBQ-RYUDHWBXSA-N 1 0 342.396 -1.046 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001267728962 785282835 /nfs/dbraw/zinc/28/28/35/785282835.db2.gz RPBAVGJCJLJTEI-BBRMVZONSA-N 1 0 340.424 -1.144 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001267728964 785282236 /nfs/dbraw/zinc/28/22/36/785282236.db2.gz RPBAVGJCJLJTEI-XJKSGUPXSA-N 1 0 340.424 -1.144 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C1)[C@@H]1CCc2nnnn2CC1 ZINC001267729131 785282894 /nfs/dbraw/zinc/28/28/94/785282894.db2.gz WGLMYSWLVVVESD-OLZOCXBDSA-N 1 0 338.412 -1.175 20 0 EAADRO O=C(N[C@H]1CC[N@@H+](CCOCCO)C1)[C@H]1CCc2nnnn2CC1 ZINC001267729133 785280913 /nfs/dbraw/zinc/28/09/13/785280913.db2.gz WGLMYSWLVVVESD-STQMWFEESA-N 1 0 338.412 -1.175 20 0 EAADRO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001267729151 785281085 /nfs/dbraw/zinc/28/10/85/785281085.db2.gz WXXLBLKVHUDBRW-LBPRGKRZSA-N 1 0 349.395 -1.510 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267729671 785281030 /nfs/dbraw/zinc/28/10/30/785281030.db2.gz BYZVPGGTNGWBBJ-NWDGAFQWSA-N 1 0 342.396 -1.046 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267729672 785281660 /nfs/dbraw/zinc/28/16/60/785281660.db2.gz BYZVPGGTNGWBBJ-RYUDHWBXSA-N 1 0 342.396 -1.046 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001267730630 785281423 /nfs/dbraw/zinc/28/14/23/785281423.db2.gz UCXUGLNMOOYRMH-BBRMVZONSA-N 1 0 340.424 -1.002 20 0 EAADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267731844 785281577 /nfs/dbraw/zinc/28/15/77/785281577.db2.gz VVBBMLJQNFKRIB-NSHDSACASA-N 1 0 340.380 -1.062 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001267731972 785281066 /nfs/dbraw/zinc/28/10/66/785281066.db2.gz BGGVCZBZQNTELR-STQMWFEESA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@]1(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C2)CCS(=O)(=O)N1 ZINC001267732609 785282186 /nfs/dbraw/zinc/28/21/86/785282186.db2.gz WPEBEUSZNCKXFE-GXTWGEPZSA-N 1 0 349.453 -1.342 20 0 EAADRO C[C@@]1(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C2)CCS(=O)(=O)N1 ZINC001267732610 785281630 /nfs/dbraw/zinc/28/16/30/785281630.db2.gz WPEBEUSZNCKXFE-JSGCOSHPSA-N 1 0 349.453 -1.342 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267732832 785282085 /nfs/dbraw/zinc/28/20/85/785282085.db2.gz QFFYMJNRQUFZRE-LBPRGKRZSA-N 1 0 342.396 -1.218 20 0 EAADRO NC(=O)NCCC(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267733741 785281982 /nfs/dbraw/zinc/28/19/82/785281982.db2.gz BMMXVAQBBRDXCG-JTQLQIEISA-N 1 0 340.384 -1.823 20 0 EAADRO NC(=O)NCCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001267733826 785281842 /nfs/dbraw/zinc/28/18/42/785281842.db2.gz FRKSYNLLDQRFTK-JTQLQIEISA-N 1 0 325.369 -1.616 20 0 EAADRO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267734068 785285005 /nfs/dbraw/zinc/28/50/05/785285005.db2.gz RYPOHVWTWUFKAF-QWRGUYRKSA-N 1 0 328.369 -1.922 20 0 EAADRO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267734069 785284839 /nfs/dbraw/zinc/28/48/39/785284839.db2.gz RYPOHVWTWUFKAF-WDEREUQCSA-N 1 0 328.369 -1.922 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001267734075 785284338 /nfs/dbraw/zinc/28/43/38/785284338.db2.gz SHJAGJGQQZOSHM-LBPRGKRZSA-N 1 0 327.381 -1.011 20 0 EAADRO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267737251 785284365 /nfs/dbraw/zinc/28/43/65/785284365.db2.gz CFGVHECUJBKONT-LLVKDONJSA-N 1 0 337.380 -1.745 20 0 EAADRO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267737369 785284281 /nfs/dbraw/zinc/28/42/81/785284281.db2.gz IQGVZDBBSZQKCL-SNVBAGLBSA-N 1 0 341.368 -1.525 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001267737578 785284235 /nfs/dbraw/zinc/28/42/35/785284235.db2.gz TXEDTSVYNBVTLS-CYBMUJFWSA-N 1 0 348.469 -1.015 20 0 EAADRO COCCOCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267737859 785284647 /nfs/dbraw/zinc/28/46/47/785284647.db2.gz FYZPOIYVWQRCHW-LLVKDONJSA-N 1 0 328.369 -1.608 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267738418 785284131 /nfs/dbraw/zinc/28/41/31/785284131.db2.gz YVJZSAJYSUQARE-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)NC(N)=O ZINC001267741628 785284057 /nfs/dbraw/zinc/28/40/57/785284057.db2.gz GUHAFJQHEJLTBP-NXEZZACHSA-N 1 0 340.384 -1.824 20 0 EAADRO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)NC(N)=O ZINC001267741629 785284093 /nfs/dbraw/zinc/28/40/93/785284093.db2.gz GUHAFJQHEJLTBP-VHSXEESVSA-N 1 0 340.384 -1.824 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267741827 785284485 /nfs/dbraw/zinc/28/44/85/785284485.db2.gz OJRWSBVNMWDLJG-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267741828 785284205 /nfs/dbraw/zinc/28/42/05/785284205.db2.gz OJRWSBVNMWDLJG-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001267743488 785286485 /nfs/dbraw/zinc/28/64/85/785286485.db2.gz UZLDJWLCLNAVDQ-LLVKDONJSA-N 1 0 349.457 -1.565 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267743678 785286714 /nfs/dbraw/zinc/28/67/14/785286714.db2.gz ZEWCZAOBLFIQSY-SECBINFHSA-N 1 0 326.357 -2.342 20 0 EAADRO CCS(=O)(=O)NCCC[N@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267745683 785285484 /nfs/dbraw/zinc/28/54/84/785285484.db2.gz BKEGXDLPFVAIFU-UHFFFAOYSA-N 1 0 348.469 -1.029 20 0 EAADRO C[N@@H+](CC(=O)NC(=O)NC1CC1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267746032 785285796 /nfs/dbraw/zinc/28/57/96/785285796.db2.gz ODBLCSLFBQSBFQ-UHFFFAOYSA-N 1 0 339.396 -1.370 20 0 EAADRO 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335.368 -1.353 20 0 EAADRO CC[C@H]([NH2+]CC1(NC(=O)CN2C(=O)CNC2=O)CCCC1)C(N)=O ZINC001267845298 785298536 /nfs/dbraw/zinc/29/85/36/785298536.db2.gz XOWJFZREXUCHNB-JTQLQIEISA-N 1 0 339.396 -1.179 20 0 EAADRO CC[C@@H]([NH2+]CC1(NC(=O)CN2C(=O)CNC2=O)CCCC1)C(N)=O ZINC001267845300 785298847 /nfs/dbraw/zinc/29/88/47/785298847.db2.gz XOWJFZREXUCHNB-SNVBAGLBSA-N 1 0 339.396 -1.179 20 0 EAADRO CN1C(=O)CN(CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1=O ZINC001267845487 785297835 /nfs/dbraw/zinc/29/78/35/785297835.db2.gz URKLMPSTGZMEHF-UHFFFAOYSA-N 1 0 325.369 -1.616 20 0 EAADRO C[C@](C[NH2+]CCS(C)(=O)=O)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001267848346 785298022 /nfs/dbraw/zinc/29/80/22/785298022.db2.gz GRLJBJDUOWUHCZ-GFCCVEGCSA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@](C[NH2+]CCS(C)(=O)=O)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001267848349 785297795 /nfs/dbraw/zinc/29/77/95/785297795.db2.gz GRLJBJDUOWUHCZ-LBPRGKRZSA-N 1 0 340.467 -1.050 20 0 EAADRO CNC(=O)NCC(=O)N[C@@](C)(C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001267853335 785299934 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785299321 /nfs/dbraw/zinc/29/93/21/785299321.db2.gz LMPHTCSVWUDJGW-BZNIZROVSA-N 1 0 348.407 -1.115 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@@](C)(NC(=O)C(N)=O)C3CC3)C2=O)n1 ZINC001267858059 785300538 /nfs/dbraw/zinc/30/05/38/785300538.db2.gz LMPHTCSVWUDJGW-MEDUHNTESA-N 1 0 348.407 -1.115 20 0 EAADRO Cn1ccc(N2CC[C@H]([NH2+]C[C@](C)(NC(=O)C(N)=O)C3CC3)C2=O)n1 ZINC001267858060 785300041 /nfs/dbraw/zinc/30/00/41/785300041.db2.gz LMPHTCSVWUDJGW-ZBEGNZNMSA-N 1 0 348.407 -1.115 20 0 EAADRO C[C@@](C[NH2+]Cc1cc(=O)n2nccc2[nH]1)(NC(=O)C(N)=O)C1CC1 ZINC001267858137 785300519 /nfs/dbraw/zinc/30/05/19/785300519.db2.gz MWIHQHJSBOXDCW-HNNXBMFYSA-N 1 0 332.364 -1.118 20 0 EAADRO C[C@](C[NH2+]Cc1cc(=O)n2nccc2[nH]1)(NC(=O)C(N)=O)C1CC1 ZINC001267858138 785299334 /nfs/dbraw/zinc/29/93/34/785299334.db2.gz MWIHQHJSBOXDCW-OAHLLOKOSA-N 1 0 332.364 -1.118 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1=O ZINC001267863288 785299905 /nfs/dbraw/zinc/29/99/05/785299905.db2.gz FQSGFIJERFYNFD-AWEZNQCLSA-N 1 0 325.369 -1.760 20 0 EAADRO CN1CC(=O)N(CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1=O ZINC001267863289 785300616 /nfs/dbraw/zinc/30/06/16/785300616.db2.gz FQSGFIJERFYNFD-CQSZACIVSA-N 1 0 325.369 -1.760 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@](C)(NC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001267863910 785300801 /nfs/dbraw/zinc/30/08/01/785300801.db2.gz ROLOFFCROWFSEC-HNNXBMFYSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@](C)(NC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001267863911 785300685 /nfs/dbraw/zinc/30/06/85/785300685.db2.gz ROLOFFCROWFSEC-OAHLLOKOSA-N 1 0 349.395 -1.259 20 0 EAADRO C[C@@](C[NH2+]CCO)(NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC001267864452 785299925 /nfs/dbraw/zinc/29/99/25/785299925.db2.gz DQGQODTYQSBZKM-AWEZNQCLSA-N 1 0 333.454 -1.416 20 0 EAADRO C[C@](C[NH2+]CCO)(NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC001267864453 785300140 /nfs/dbraw/zinc/30/01/40/785300140.db2.gz DQGQODTYQSBZKM-CQSZACIVSA-N 1 0 333.454 -1.416 20 0 EAADRO C[C@@H]1CCCC[C@@]1(C[NH2+]CC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001267872986 785302209 /nfs/dbraw/zinc/30/22/09/785302209.db2.gz GKGCSQAHFWNHDR-BMIGLBTASA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@H]1CCCC[C@@]1(C[NH2+]CC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001267872987 785302545 /nfs/dbraw/zinc/30/25/45/785302545.db2.gz GKGCSQAHFWNHDR-BONVTDFDSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@@H]1CCCC[C@]1(C[NH2+]CC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001267872988 785301634 /nfs/dbraw/zinc/30/16/34/785301634.db2.gz GKGCSQAHFWNHDR-MEBBXXQBSA-N 1 0 339.396 -1.322 20 0 EAADRO C[C@H]1CCCC[C@]1(C[NH2+]CC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001267872989 785301304 /nfs/dbraw/zinc/30/13/04/785301304.db2.gz GKGCSQAHFWNHDR-ZUZCIYMTSA-N 1 0 339.396 -1.322 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001267877934 785302102 /nfs/dbraw/zinc/30/21/02/785302102.db2.gz NIOCFRXHNPHKOW-JTQLQIEISA-N 1 0 348.425 -1.556 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001267877935 785300999 /nfs/dbraw/zinc/30/09/99/785300999.db2.gz NIOCFRXHNPHKOW-SNVBAGLBSA-N 1 0 348.425 -1.556 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001267884810 785303118 /nfs/dbraw/zinc/30/31/18/785303118.db2.gz FUXBTMMBDORRKQ-LLVKDONJSA-N 1 0 334.442 -1.371 20 0 EAADRO CNS(=O)(=O)CCC(=O)N1CCC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001267884811 785303148 /nfs/dbraw/zinc/30/31/48/785303148.db2.gz FUXBTMMBDORRKQ-NSHDSACASA-N 1 0 334.442 -1.371 20 0 EAADRO NC(=O)C[NH2+]CCC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001267912750 785308107 /nfs/dbraw/zinc/30/81/07/785308107.db2.gz ORAKHLSTPNRYOI-UHFFFAOYSA-N 1 0 337.380 -1.348 20 0 EAADRO NC(=O)C(=O)N1CCC(CC[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001267913074 785309893 /nfs/dbraw/zinc/30/98/93/785309893.db2.gz DDKSDJGXCVXVST-CYBMUJFWSA-N 1 0 340.424 -1.157 20 0 EAADRO NC(=O)C(=O)N1CCC(CC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001267913076 785309471 /nfs/dbraw/zinc/30/94/71/785309471.db2.gz DDKSDJGXCVXVST-ZDUSSCGKSA-N 1 0 340.424 -1.157 20 0 EAADRO COC[C@@H](O)C[NH2+]CCC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001267913220 785307977 /nfs/dbraw/zinc/30/79/77/785307977.db2.gz ICNLGJMDDAYZJH-QWHCGFSZSA-N 1 0 328.413 -1.107 20 0 EAADRO COC[C@@H](O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001267913221 785307926 /nfs/dbraw/zinc/30/79/26/785307926.db2.gz ICNLGJMDDAYZJH-STQMWFEESA-N 1 0 328.413 -1.107 20 0 EAADRO NC(=O)C(=O)N1CCC(CC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001267913570 785311513 /nfs/dbraw/zinc/31/15/13/785311513.db2.gz UAHVRWHFLQUTLJ-CYBMUJFWSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C(=O)N1CCC(CC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001267913571 785311503 /nfs/dbraw/zinc/31/15/03/785311503.db2.gz UAHVRWHFLQUTLJ-ZDUSSCGKSA-N 1 0 340.424 -1.015 20 0 EAADRO Cn1nnnc1C[NH2+]CCC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001267913616 785310487 /nfs/dbraw/zinc/31/04/87/785310487.db2.gz VFIJTFPJXOUUGT-LLVKDONJSA-N 1 0 336.400 -1.390 20 0 EAADRO Cn1nnnc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001267913617 785310789 /nfs/dbraw/zinc/31/07/89/785310789.db2.gz VFIJTFPJXOUUGT-NSHDSACASA-N 1 0 336.400 -1.390 20 0 EAADRO NC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001267916106 785311741 /nfs/dbraw/zinc/31/17/41/785311741.db2.gz VFOYXJKASHKVBY-JTQLQIEISA-N 1 0 325.369 -1.712 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001267919485 785313092 /nfs/dbraw/zinc/31/30/92/785313092.db2.gz GMDULMHPLHLHLW-NEPJUHHUSA-N 1 0 326.397 -1.574 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001267921138 785315640 /nfs/dbraw/zinc/31/56/40/785315640.db2.gz IZKADTSWGDISHD-UHFFFAOYSA-N 1 0 348.469 -1.029 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001267922771 785315318 /nfs/dbraw/zinc/31/53/18/785315318.db2.gz FWLMWIOMOZXFGZ-AVGNSLFASA-N 1 0 340.424 -1.138 20 0 EAADRO COCCOCC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1 ZINC001267923171 785315160 /nfs/dbraw/zinc/31/51/60/785315160.db2.gz MICCFUIVAPWHSR-XYPYZODXSA-N 1 0 330.385 -1.139 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001267929293 785318328 /nfs/dbraw/zinc/31/83/28/785318328.db2.gz LWDYGROPYOOUHJ-HAQNSBGRSA-N 1 0 349.453 -1.060 20 0 EAADRO C[C@H](NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001267929823 785319379 /nfs/dbraw/zinc/31/93/79/785319379.db2.gz RUTULADCTIDGSF-DCAQKATOSA-N 1 0 341.412 -1.918 20 0 EAADRO C[C@@H](NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001267929824 785319196 /nfs/dbraw/zinc/31/91/96/785319196.db2.gz RUTULADCTIDGSF-GMTAPVOTSA-N 1 0 341.412 -1.918 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001267930615 785319455 /nfs/dbraw/zinc/31/94/55/785319455.db2.gz LIKACEIYCJIFAL-MGCOHNPYSA-N 1 0 330.414 -1.016 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+]CCOCCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001267931924 785319185 /nfs/dbraw/zinc/31/91/85/785319185.db2.gz AFMPQJBOJPKADC-AVGNSLFASA-N 1 0 349.453 -1.296 20 0 EAADRO O=C(N[C@H]1CC[C@H]([NH2+]CCOCCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001267931931 785318163 /nfs/dbraw/zinc/31/81/63/785318163.db2.gz AFMPQJBOJPKADC-JHJVBQTASA-N 1 0 349.453 -1.296 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001267932261 785318663 /nfs/dbraw/zinc/31/86/63/785318663.db2.gz GUUOEKJVILKYGH-MGCOHNPYSA-N 1 0 325.369 -1.699 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)CC1 ZINC001267934257 785319657 /nfs/dbraw/zinc/31/96/57/785319657.db2.gz QAXQBMAKWAKXIF-XYPYZODXSA-N 1 0 344.441 -1.087 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001267937393 785321009 /nfs/dbraw/zinc/32/10/09/785321009.db2.gz KWEFLNXQAWJCKL-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO NC(=O)C(=O)NCc1ccc(C[NH2+]CC(=O)N2CCOCC2)cc1 ZINC001267939022 785321057 /nfs/dbraw/zinc/32/10/57/785321057.db2.gz OXRKHUCBGGREGS-UHFFFAOYSA-N 1 0 334.376 -1.264 20 0 EAADRO NC(=O)CC(=O)NCCC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC001267942437 785321337 /nfs/dbraw/zinc/32/13/37/785321337.db2.gz SBCGRFGGEBLMGD-UHFFFAOYSA-N 1 0 340.424 -1.061 20 0 EAADRO COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267942842 785320824 /nfs/dbraw/zinc/32/08/24/785320824.db2.gz OHDXUWLRYQXVBT-MXWKQRLJSA-N 1 0 328.369 -1.828 20 0 EAADRO NC(=O)C(=O)NCCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001267946282 785322374 /nfs/dbraw/zinc/32/23/74/785322374.db2.gz MJILRQCOHQPBFG-UHFFFAOYSA-N 1 0 339.396 -2.352 20 0 EAADRO NC(=O)C(=O)NCCC1CC[NH+](CC(=O)NC[C@H]2CCOC2)CC1 ZINC001267946399 785323205 /nfs/dbraw/zinc/32/32/05/785323205.db2.gz PWAJVCAOFPSWTN-CYBMUJFWSA-N 1 0 340.424 -1.157 20 0 EAADRO NC(=O)C(=O)NCCC1CC[NH+](CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001267946400 785323047 /nfs/dbraw/zinc/32/30/47/785323047.db2.gz PWAJVCAOFPSWTN-ZDUSSCGKSA-N 1 0 340.424 -1.157 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)CNC(C)=O ZINC001267949490 785324294 /nfs/dbraw/zinc/32/42/94/785324294.db2.gz OFTABIVHCITOMT-GFCCVEGCSA-N 1 0 334.442 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)CCn1cncn1 ZINC001267949779 785325013 /nfs/dbraw/zinc/32/50/13/785325013.db2.gz BBIFGKBUKCEJTD-GFCCVEGCSA-N 1 0 344.441 -1.202 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001267950528 785324644 /nfs/dbraw/zinc/32/46/44/785324644.db2.gz STSNNEAMQILOFT-LLVKDONJSA-N 1 0 330.414 -1.312 20 0 EAADRO COC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001267950850 785324162 /nfs/dbraw/zinc/32/41/62/785324162.db2.gz GMAWZQYDRPYHHS-SNVBAGLBSA-N 1 0 341.368 -1.525 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@@H]2C[NH2+]CCN2C(=O)CNC2=O)c1N ZINC001267952629 785326366 /nfs/dbraw/zinc/32/63/66/785326366.db2.gz RAVRNLHNKIPQMP-SNVBAGLBSA-N 1 0 349.395 -1.252 20 0 EAADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001267953908 785326888 /nfs/dbraw/zinc/32/68/88/785326888.db2.gz FRBKXQZFUIWVKT-SNVBAGLBSA-N 1 0 335.368 -1.439 20 0 EAADRO CN1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001267953988 785327722 /nfs/dbraw/zinc/32/77/22/785327722.db2.gz WAUHDGZKAVGGTK-KGLIPLIRSA-N 1 0 339.440 -1.077 20 0 EAADRO CN1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001267953989 785326122 /nfs/dbraw/zinc/32/61/22/785326122.db2.gz WAUHDGZKAVGGTK-ZIAGYGMSSA-N 1 0 339.440 -1.077 20 0 EAADRO Cc1c(C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)nnn1C ZINC001267954088 785326730 /nfs/dbraw/zinc/32/67/30/785326730.db2.gz YULQEKJECLIWRG-LLVKDONJSA-N 1 0 344.441 -1.133 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001267954322 785327377 /nfs/dbraw/zinc/32/73/77/785327377.db2.gz MACGRNNVMUECPK-NXEZZACHSA-N 1 0 334.398 -1.775 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001267954323 785326236 /nfs/dbraw/zinc/32/62/36/785326236.db2.gz MACGRNNVMUECPK-ZJUUUORDSA-N 1 0 334.398 -1.775 20 0 EAADRO CCNC(=O)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001267954585 785326085 /nfs/dbraw/zinc/32/60/85/785326085.db2.gz UGLCKROHAUXLCY-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO CCNC(=O)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001267954587 785327034 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CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268007601 785348688 /nfs/dbraw/zinc/34/86/88/785348688.db2.gz YCMRYSUTVVULBT-SNVBAGLBSA-N 1 0 341.412 -1.205 20 0 EAADRO CCn1cc(C(=O)NC[C@@H](C)C[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001268009796 785347662 /nfs/dbraw/zinc/34/76/62/785347662.db2.gz WGWMNQCMRKTKED-JTQLQIEISA-N 1 0 337.384 -1.195 20 0 EAADRO CCn1cc(C(=O)NC[C@H](C)C[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001268009797 785348028 /nfs/dbraw/zinc/34/80/28/785348028.db2.gz WGWMNQCMRKTKED-SNVBAGLBSA-N 1 0 337.384 -1.195 20 0 EAADRO C[C@@H](CNC(=O)c1cccn(C)c1=O)C[NH2+]CCNS(C)(=O)=O ZINC001268011164 785348337 /nfs/dbraw/zinc/34/83/37/785348337.db2.gz SKKPDOGSMHTVKK-LLVKDONJSA-N 1 0 344.437 -1.110 20 0 EAADRO C[C@H](CNC(=O)c1cccn(C)c1=O)C[NH2+]CCNS(C)(=O)=O ZINC001268011165 785348429 /nfs/dbraw/zinc/34/84/29/785348429.db2.gz SKKPDOGSMHTVKK-NSHDSACASA-N 1 0 344.437 -1.110 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)C[NH2+]CCc1cnn(C)c1 ZINC001268011523 785348614 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EAADRO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)C[NH2+][C@H]1CCCNC1=O ZINC001268011637 785348722 /nfs/dbraw/zinc/34/87/22/785348722.db2.gz BZUQECLMWPYXMS-QWRGUYRKSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)C[NH2+][C@@H]1CCCNC1=O ZINC001268011639 785347652 /nfs/dbraw/zinc/34/76/52/785347652.db2.gz BZUQECLMWPYXMS-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN1C(=O)CCC1=O)c1nnnn1C ZINC001268011924 785347841 /nfs/dbraw/zinc/34/78/41/785347841.db2.gz GGKPEGITMBIWPJ-NXEZZACHSA-N 1 0 337.384 -1.238 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CCC1=O)C[NH2+][C@@H](C)c1nnnn1C ZINC001268011925 785348637 /nfs/dbraw/zinc/34/86/37/785348637.db2.gz GGKPEGITMBIWPJ-UWVGGRQHSA-N 1 0 337.384 -1.238 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CCC1=O)C[NH2+][C@H](C)c1nnnn1C ZINC001268011926 785347890 /nfs/dbraw/zinc/34/78/90/785347890.db2.gz GGKPEGITMBIWPJ-VHSXEESVSA-N 1 0 337.384 -1.238 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)C[NH2+][C@@H](C)c1nnnn1C ZINC001268011927 785348294 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EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268012529 785349752 /nfs/dbraw/zinc/34/97/52/785349752.db2.gz MSCNZGGYZJVUDO-UWVGGRQHSA-N 1 0 327.385 -1.643 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268012531 785349103 /nfs/dbraw/zinc/34/91/03/785349103.db2.gz MSCNZGGYZJVUDO-VHSXEESVSA-N 1 0 327.385 -1.643 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268012533 785350088 /nfs/dbraw/zinc/35/00/88/785350088.db2.gz MSCNZGGYZJVUDO-ZJUUUORDSA-N 1 0 327.385 -1.643 20 0 EAADRO C[C@@H](CNC(=O)Cn1cncn1)C[NH2+]CCN1CCCS1(=O)=O ZINC001268013182 785350143 /nfs/dbraw/zinc/35/01/43/785350143.db2.gz VXXULPVNDKCVOH-GFCCVEGCSA-N 1 0 344.441 -1.345 20 0 EAADRO C[C@H](CNC(=O)Cn1cncn1)C[NH2+]CCN1CCCS1(=O)=O ZINC001268013183 785349706 /nfs/dbraw/zinc/34/97/06/785349706.db2.gz VXXULPVNDKCVOH-LBPRGKRZSA-N 1 0 344.441 -1.345 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CNC1=O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001268013399 785349070 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EAADRO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C[NH2+]CCc1ccnn1C ZINC001268014082 785349514 /nfs/dbraw/zinc/34/95/14/785349514.db2.gz KYIQFBMIGKTOEZ-AAEUAGOBSA-N 1 0 343.453 -1.004 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C[NH2+]CCc1ccnn1C ZINC001268014083 785350021 /nfs/dbraw/zinc/35/00/21/785350021.db2.gz KYIQFBMIGKTOEZ-DGCLKSJQSA-N 1 0 343.453 -1.004 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C[NH2+]CCc1ccnn1C ZINC001268014084 785350174 /nfs/dbraw/zinc/35/01/74/785350174.db2.gz KYIQFBMIGKTOEZ-WCQYABFASA-N 1 0 343.453 -1.004 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C[NH2+]CCc1ccnn1C ZINC001268014085 785349723 /nfs/dbraw/zinc/34/97/23/785349723.db2.gz KYIQFBMIGKTOEZ-YPMHNXCESA-N 1 0 343.453 -1.004 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]CCN1CCNC1=O ZINC001268014360 785349982 /nfs/dbraw/zinc/34/99/82/785349982.db2.gz QDWAPNSDXOVIHH-NEPJUHHUSA-N 1 0 346.453 -1.069 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]CCN1CCNC1=O ZINC001268014361 785349784 /nfs/dbraw/zinc/34/97/84/785349784.db2.gz QDWAPNSDXOVIHH-NWDGAFQWSA-N 1 0 346.453 -1.069 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]CCN1CCNC1=O ZINC001268014362 785350276 /nfs/dbraw/zinc/35/02/76/785350276.db2.gz QDWAPNSDXOVIHH-RYUDHWBXSA-N 1 0 346.453 -1.069 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]CCN1CCNC1=O ZINC001268014363 785349276 /nfs/dbraw/zinc/34/92/76/785349276.db2.gz QDWAPNSDXOVIHH-VXGBXAGGSA-N 1 0 346.453 -1.069 20 0 EAADRO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)C[NH2+]CCn1cncn1 ZINC001268014560 785349355 /nfs/dbraw/zinc/34/93/55/785349355.db2.gz UQVFDEBGCVCTLD-JTQLQIEISA-N 1 0 335.368 -1.267 20 0 EAADRO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)C[NH2+]CCn1cncn1 ZINC001268014561 785349627 /nfs/dbraw/zinc/34/96/27/785349627.db2.gz UQVFDEBGCVCTLD-SNVBAGLBSA-N 1 0 335.368 -1.267 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268018492 785351407 /nfs/dbraw/zinc/35/14/07/785351407.db2.gz PVBONCUCDQOEIK-GHMZBOCLSA-N 1 0 326.397 -1.141 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001268018500 785350600 /nfs/dbraw/zinc/35/06/00/785350600.db2.gz PVBONCUCDQOEIK-MNOVXSKESA-N 1 0 326.397 -1.141 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001268018503 785350965 /nfs/dbraw/zinc/35/09/65/785350965.db2.gz PVBONCUCDQOEIK-QWRGUYRKSA-N 1 0 326.397 -1.141 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268018505 785350873 /nfs/dbraw/zinc/35/08/73/785350873.db2.gz PVBONCUCDQOEIK-WDEREUQCSA-N 1 0 326.397 -1.141 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)CCO1 ZINC001268020640 785353301 /nfs/dbraw/zinc/35/33/01/785353301.db2.gz YXLRVTJKBKNNGP-NEPJUHHUSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)CCO1 ZINC001268020641 785352161 /nfs/dbraw/zinc/35/21/61/785352161.db2.gz YXLRVTJKBKNNGP-NWDGAFQWSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)CC(=O)NC[C@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)CCO1 ZINC001268020642 785352131 /nfs/dbraw/zinc/35/21/31/785352131.db2.gz YXLRVTJKBKNNGP-RYUDHWBXSA-N 1 0 326.397 -1.405 20 0 EAADRO NC(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)CCO1 ZINC001268020643 785352193 /nfs/dbraw/zinc/35/21/93/785352193.db2.gz YXLRVTJKBKNNGP-VXGBXAGGSA-N 1 0 326.397 -1.405 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)CCO1 ZINC001268025076 785359822 /nfs/dbraw/zinc/35/98/22/785359822.db2.gz BWONADCZIBXVTA-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)CCO1 ZINC001268025077 785359761 /nfs/dbraw/zinc/35/97/61/785359761.db2.gz BWONADCZIBXVTA-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN([C@@H]2CCC(=O)NC2=O)CCO1 ZINC001268025078 785359343 /nfs/dbraw/zinc/35/93/43/785359343.db2.gz BWONADCZIBXVTA-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[NH+](C)CCCC(=O)NC[C@H]1CN([C@H]2CCC(=O)NC2=O)CCO1 ZINC001268025079 785359460 /nfs/dbraw/zinc/35/94/60/785359460.db2.gz BWONADCZIBXVTA-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO O=C(NC[C@@H]1CN(CCOCCO)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001268027246 785360378 /nfs/dbraw/zinc/36/03/78/785360378.db2.gz SKGRQUYBICUUQS-MNOVXSKESA-N 1 0 344.368 -2.590 20 0 EAADRO O=C(NC[C@H]1CN(CCOCCO)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001268027247 785361165 /nfs/dbraw/zinc/36/11/65/785361165.db2.gz SKGRQUYBICUUQS-QWRGUYRKSA-N 1 0 344.368 -2.590 20 0 EAADRO O=C(NC[C@H]1CN(CCOCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001268029872 785363509 /nfs/dbraw/zinc/36/35/09/785363509.db2.gz IJYPSTKXJWIZHP-AWEZNQCLSA-N 1 0 327.425 -1.092 20 0 EAADRO O=C(NC[C@@H]1CN(CCOCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001268029873 785364135 /nfs/dbraw/zinc/36/41/35/785364135.db2.gz IJYPSTKXJWIZHP-CQSZACIVSA-N 1 0 327.425 -1.092 20 0 EAADRO COC[C@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCCC1 ZINC001268034086 785368550 /nfs/dbraw/zinc/36/85/50/785368550.db2.gz AMOPDFABDBZERZ-MNOVXSKESA-N 1 0 342.396 -1.390 20 0 EAADRO Cn1nncc1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CCCC1 ZINC001268034719 785368706 /nfs/dbraw/zinc/36/87/06/785368706.db2.gz VBDXLSOYRBPPMQ-UHFFFAOYSA-N 1 0 349.395 -1.001 20 0 EAADRO CNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCCC1 ZINC001268034897 785368509 /nfs/dbraw/zinc/36/85/09/785368509.db2.gz RFGFMKSLJAEEJN-VIFPVBQESA-N 1 0 325.369 -1.651 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NCC2([NH2+]CCCO)CCCC2)c1=O ZINC001268035567 785368534 /nfs/dbraw/zinc/36/85/34/785368534.db2.gz MZVPJDOVGDYCLC-UHFFFAOYSA-N 1 0 338.408 -1.052 20 0 EAADRO C[C@H](NC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCCC1)C(=O)N(C)C ZINC001268038617 785369445 /nfs/dbraw/zinc/36/94/45/785369445.db2.gz SSEZCOFRATUZCM-JTQLQIEISA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCCC1)C(=O)N(C)C ZINC001268038618 785369301 /nfs/dbraw/zinc/36/93/01/785369301.db2.gz SSEZCOFRATUZCM-SNVBAGLBSA-N 1 0 341.412 -1.917 20 0 EAADRO Cn1nnc(C(=O)NCC2([NH2+]CCN3C(=O)CCC3=O)CCCC2)n1 ZINC001268038939 785369090 /nfs/dbraw/zinc/36/90/90/785369090.db2.gz VCUPODMLVWAKCM-UHFFFAOYSA-N 1 0 349.395 -1.009 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001268042487 785374104 /nfs/dbraw/zinc/37/41/04/785374104.db2.gz QVGYWBQPZBQMDH-GHMZBOCLSA-N 1 0 336.392 -1.054 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1 ZINC001268042488 785373566 /nfs/dbraw/zinc/37/35/66/785373566.db2.gz QVGYWBQPZBQMDH-MNOVXSKESA-N 1 0 336.392 -1.054 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1 ZINC001268042489 785373503 /nfs/dbraw/zinc/37/35/03/785373503.db2.gz QVGYWBQPZBQMDH-QWRGUYRKSA-N 1 0 336.392 -1.054 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001268042490 785373816 /nfs/dbraw/zinc/37/38/16/785373816.db2.gz QVGYWBQPZBQMDH-WDEREUQCSA-N 1 0 336.392 -1.054 20 0 EAADRO O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CCCC1)c1cn[nH]n1 ZINC001268044458 785375667 /nfs/dbraw/zinc/37/56/67/785375667.db2.gz CGAPQHBHAHFNPE-UHFFFAOYSA-N 1 0 335.368 -1.011 20 0 EAADRO NC(=O)NCCC(=O)N1CCC2(C[NH+](CCOCCO)C2)CC1 ZINC001268046517 785377832 /nfs/dbraw/zinc/37/78/32/785377832.db2.gz DHGWAQRXOYJYND-UHFFFAOYSA-N 1 0 328.413 -1.022 20 0 EAADRO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)c1cc[n+]([O-])cc1 ZINC001268050454 785379132 /nfs/dbraw/zinc/37/91/32/785379132.db2.gz PRYLSENPQHLTJF-LLVKDONJSA-N 1 0 330.410 -1.081 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)c1cc[n+]([O-])cc1 ZINC001268050456 785378979 /nfs/dbraw/zinc/37/89/79/785378979.db2.gz PRYLSENPQHLTJF-NSHDSACASA-N 1 0 330.410 -1.081 20 0 EAADRO COC[C@H](O)C[NH2+]C1(CNC(=O)CN2C(=O)CNC2=O)CCCC1 ZINC001268053014 785379148 /nfs/dbraw/zinc/37/91/48/785379148.db2.gz GFHMIAHXLXXEEL-LLVKDONJSA-N 1 0 342.396 -1.436 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)CS(C)(=O)=O ZINC001268054332 785379005 /nfs/dbraw/zinc/37/90/05/785379005.db2.gz NUOJIOFPUXUTEE-JTQLQIEISA-N 1 0 343.471 -1.641 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)CS(C)(=O)=O ZINC001268054336 785379283 /nfs/dbraw/zinc/37/92/83/785379283.db2.gz NUOJIOFPUXUTEE-SNVBAGLBSA-N 1 0 343.471 -1.641 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001268057412 785380209 /nfs/dbraw/zinc/38/02/09/785380209.db2.gz NEWWEVXSGPOARP-CHWSQXEVSA-N 1 0 327.429 -1.221 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001268057416 785380044 /nfs/dbraw/zinc/38/00/44/785380044.db2.gz NEWWEVXSGPOARP-OLZOCXBDSA-N 1 0 327.429 -1.221 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001268057418 785379858 /nfs/dbraw/zinc/37/98/58/785379858.db2.gz NEWWEVXSGPOARP-QWHCGFSZSA-N 1 0 327.429 -1.221 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001268057420 785380143 /nfs/dbraw/zinc/38/01/43/785380143.db2.gz NEWWEVXSGPOARP-STQMWFEESA-N 1 0 327.429 -1.221 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)c1cnnn1C ZINC001268059043 785381204 /nfs/dbraw/zinc/38/12/04/785381204.db2.gz DOKYGBSLYDFKCA-JTQLQIEISA-N 1 0 332.430 -1.243 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)c1cnnn1C ZINC001268059046 785380019 /nfs/dbraw/zinc/38/00/19/785380019.db2.gz DOKYGBSLYDFKCA-SNVBAGLBSA-N 1 0 332.430 -1.243 20 0 EAADRO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001268060094 785380114 /nfs/dbraw/zinc/38/01/14/785380114.db2.gz DNSUYJNMESPRMM-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001268060096 785381058 /nfs/dbraw/zinc/38/10/58/785381058.db2.gz DNSUYJNMESPRMM-MNOVXSKESA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001268060098 785380457 /nfs/dbraw/zinc/38/04/57/785380457.db2.gz DNSUYJNMESPRMM-QWRGUYRKSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001268060100 785380168 /nfs/dbraw/zinc/38/01/68/785380168.db2.gz DNSUYJNMESPRMM-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001268066146 785381923 /nfs/dbraw/zinc/38/19/23/785381923.db2.gz LCCGHEQSXNDHCN-GHMZBOCLSA-N 1 0 334.442 -1.550 20 0 EAADRO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001268066147 785382293 /nfs/dbraw/zinc/38/22/93/785382293.db2.gz LCCGHEQSXNDHCN-MNOVXSKESA-N 1 0 334.442 -1.550 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001268066148 785381675 /nfs/dbraw/zinc/38/16/75/785381675.db2.gz LCCGHEQSXNDHCN-QWRGUYRKSA-N 1 0 334.442 -1.550 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001268066149 785382935 /nfs/dbraw/zinc/38/29/35/785382935.db2.gz LCCGHEQSXNDHCN-WDEREUQCSA-N 1 0 334.442 -1.550 20 0 EAADRO COCC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268066424 785382270 /nfs/dbraw/zinc/38/22/70/785382270.db2.gz OCQZXXAZHRYGGT-GHMZBOCLSA-N 1 0 342.396 -1.667 20 0 EAADRO COCC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268066425 785381890 /nfs/dbraw/zinc/38/18/90/785381890.db2.gz OCQZXXAZHRYGGT-MNOVXSKESA-N 1 0 342.396 -1.667 20 0 EAADRO COCC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268066426 785381448 /nfs/dbraw/zinc/38/14/48/785381448.db2.gz OCQZXXAZHRYGGT-QWRGUYRKSA-N 1 0 342.396 -1.667 20 0 EAADRO COCC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268066427 785382852 /nfs/dbraw/zinc/38/28/52/785382852.db2.gz OCQZXXAZHRYGGT-WDEREUQCSA-N 1 0 342.396 -1.667 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268066510 785382310 /nfs/dbraw/zinc/38/23/10/785382310.db2.gz ALHISJOLSHOPBH-UWVGGRQHSA-N 1 0 327.385 -1.454 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268066511 785382486 /nfs/dbraw/zinc/38/24/86/785382486.db2.gz ALHISJOLSHOPBH-ZJUUUORDSA-N 1 0 327.385 -1.454 20 0 EAADRO CC[C@]1(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001268066785 785382528 /nfs/dbraw/zinc/38/25/28/785382528.db2.gz CABFATVPSKMWLB-BMIGLBTASA-N 1 0 341.412 -1.205 20 0 EAADRO CC[C@]1(C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001268066786 785382440 /nfs/dbraw/zinc/38/24/40/785382440.db2.gz CABFATVPSKMWLB-BONVTDFDSA-N 1 0 341.412 -1.205 20 0 EAADRO CC[C@@]1(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001268066787 785382825 /nfs/dbraw/zinc/38/28/25/785382825.db2.gz CABFATVPSKMWLB-MEBBXXQBSA-N 1 0 341.412 -1.205 20 0 EAADRO CC[C@@]1(C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001268066789 785381769 /nfs/dbraw/zinc/38/17/69/785381769.db2.gz CABFATVPSKMWLB-ZUZCIYMTSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001268066928 785381712 /nfs/dbraw/zinc/38/17/12/785381712.db2.gz PZAMEMYEUVVCFT-JTQLQIEISA-N 1 0 327.385 -1.499 20 0 EAADRO CNC(=O)NCC(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001268066930 785382645 /nfs/dbraw/zinc/38/26/45/785382645.db2.gz PZAMEMYEUVVCFT-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001268067288 785382463 /nfs/dbraw/zinc/38/24/63/785382463.db2.gz SSCXNUAPOCWQBQ-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C[C@H]1CCNC1=O ZINC001268067291 785382842 /nfs/dbraw/zinc/38/28/42/785382842.db2.gz SSCXNUAPOCWQBQ-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001268067292 785381660 /nfs/dbraw/zinc/38/16/60/785381660.db2.gz SSCXNUAPOCWQBQ-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C[C@H]1CCNC1=O ZINC001268067294 785382210 /nfs/dbraw/zinc/38/22/10/785382210.db2.gz SSCXNUAPOCWQBQ-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001268067879 785382051 /nfs/dbraw/zinc/38/20/51/785382051.db2.gz HGHLPDKDVWNVSL-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001268067881 785382222 /nfs/dbraw/zinc/38/22/22/785382222.db2.gz HGHLPDKDVWNVSL-NWDGAFQWSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001268067882 785382096 /nfs/dbraw/zinc/38/20/96/785382096.db2.gz HGHLPDKDVWNVSL-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001268067884 785382072 /nfs/dbraw/zinc/38/20/72/785382072.db2.gz HGHLPDKDVWNVSL-VXGBXAGGSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)CCS(C)(=O)=O ZINC001268072142 785382422 /nfs/dbraw/zinc/38/24/22/785382422.db2.gz SQAJICSARMFORG-NXEZZACHSA-N 1 0 333.410 -1.337 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)CCS(C)(=O)=O ZINC001268072143 785381560 /nfs/dbraw/zinc/38/15/60/785381560.db2.gz SQAJICSARMFORG-UWVGGRQHSA-N 1 0 333.410 -1.337 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)CCS(C)(=O)=O ZINC001268072144 785382747 /nfs/dbraw/zinc/38/27/47/785382747.db2.gz SQAJICSARMFORG-VHSXEESVSA-N 1 0 333.410 -1.337 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)CCS(C)(=O)=O ZINC001268072145 785381858 /nfs/dbraw/zinc/38/18/58/785381858.db2.gz SQAJICSARMFORG-ZJUUUORDSA-N 1 0 333.410 -1.337 20 0 EAADRO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)c1ccc2nnnn2c1 ZINC001268076927 785383045 /nfs/dbraw/zinc/38/30/45/785383045.db2.gz VJAWVYGVGUQNMY-SECBINFHSA-N 1 0 345.367 -1.204 20 0 EAADRO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)c1ccc2nnnn2c1 ZINC001268076928 785382162 /nfs/dbraw/zinc/38/21/62/785382162.db2.gz VJAWVYGVGUQNMY-VIFPVBQESA-N 1 0 345.367 -1.204 20 0 EAADRO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268079646 785383344 /nfs/dbraw/zinc/38/33/44/785383344.db2.gz DFEIQEWVNHOYEA-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268079651 785384191 /nfs/dbraw/zinc/38/41/91/785384191.db2.gz DFEIQEWVNHOYEA-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001268079707 785384135 /nfs/dbraw/zinc/38/41/35/785384135.db2.gz DHXWTANLAGALDA-JTQLQIEISA-N 1 0 335.364 -1.031 20 0 EAADRO C[C@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001268079717 785383884 /nfs/dbraw/zinc/38/38/84/785383884.db2.gz DHXWTANLAGALDA-SNVBAGLBSA-N 1 0 335.364 -1.031 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)N(C)C(=O)C(N)=O ZINC001268080429 785383938 /nfs/dbraw/zinc/38/39/38/785383938.db2.gz JHGHQHZXARZUFS-CMPLNLGQSA-N 1 0 336.396 -1.163 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)N(C)C(=O)C(N)=O ZINC001268080430 785383366 /nfs/dbraw/zinc/38/33/66/785383366.db2.gz JHGHQHZXARZUFS-JQWIXIFHSA-N 1 0 336.396 -1.163 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)N(C)C(=O)C(N)=O ZINC001268080431 785383704 /nfs/dbraw/zinc/38/37/04/785383704.db2.gz JHGHQHZXARZUFS-PWSUYJOCSA-N 1 0 336.396 -1.163 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)N(C)C(=O)C(N)=O ZINC001268080432 785383959 /nfs/dbraw/zinc/38/39/59/785383959.db2.gz JHGHQHZXARZUFS-ZYHUDNBSSA-N 1 0 336.396 -1.163 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001268080567 785383525 /nfs/dbraw/zinc/38/35/25/785383525.db2.gz ISQZIQXJUSILGV-NWDGAFQWSA-N 1 0 348.469 -1.065 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001268080568 785384341 /nfs/dbraw/zinc/38/43/41/785384341.db2.gz ISQZIQXJUSILGV-VXGBXAGGSA-N 1 0 348.469 -1.065 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268081306 785383509 /nfs/dbraw/zinc/38/35/09/785383509.db2.gz ROVUWYXCZOFNMX-SECBINFHSA-N 1 0 327.385 -1.466 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268081307 785383321 /nfs/dbraw/zinc/38/33/21/785383321.db2.gz ROVUWYXCZOFNMX-VIFPVBQESA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@H](C[NH2+]CCCS(C)(=O)=O)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268082644 785383796 /nfs/dbraw/zinc/38/37/96/785383796.db2.gz DPDROMXPZYDXAL-GRYCIOLGSA-N 1 0 349.453 -1.110 20 0 EAADRO C[C@@H](C[NH2+]CCCS(C)(=O)=O)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268082645 785383554 /nfs/dbraw/zinc/38/35/54/785383554.db2.gz DPDROMXPZYDXAL-SDDRHHMPSA-N 1 0 349.453 -1.110 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001268082980 785384142 /nfs/dbraw/zinc/38/41/42/785384142.db2.gz ANWCEZCBEVHINR-GHMZBOCLSA-N 1 0 349.457 -1.614 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001268082981 785384088 /nfs/dbraw/zinc/38/40/88/785384088.db2.gz ANWCEZCBEVHINR-MNOVXSKESA-N 1 0 349.457 -1.614 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001268082982 785383826 /nfs/dbraw/zinc/38/38/26/785383826.db2.gz ANWCEZCBEVHINR-QWRGUYRKSA-N 1 0 349.457 -1.614 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001268082983 785384378 /nfs/dbraw/zinc/38/43/78/785384378.db2.gz ANWCEZCBEVHINR-WDEREUQCSA-N 1 0 349.457 -1.614 20 0 EAADRO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001268084079 785384777 /nfs/dbraw/zinc/38/47/77/785384777.db2.gz HBCXQKBKLLIBAW-GHMZBOCLSA-N 1 0 332.430 -1.348 20 0 EAADRO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001268084087 785384867 /nfs/dbraw/zinc/38/48/67/785384867.db2.gz HBCXQKBKLLIBAW-MNOVXSKESA-N 1 0 332.430 -1.348 20 0 EAADRO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001268084088 785384639 /nfs/dbraw/zinc/38/46/39/785384639.db2.gz HBCXQKBKLLIBAW-QWRGUYRKSA-N 1 0 332.430 -1.348 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)C[NH2+]CCn1cncn1 ZINC001268084090 785384844 /nfs/dbraw/zinc/38/48/44/785384844.db2.gz HBCXQKBKLLIBAW-WDEREUQCSA-N 1 0 332.430 -1.348 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O ZINC001268085397 785384597 /nfs/dbraw/zinc/38/45/97/785384597.db2.gz QYBZZOLSEMEGEG-JTQLQIEISA-N 1 0 329.401 -2.107 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001268085398 785384571 /nfs/dbraw/zinc/38/45/71/785384571.db2.gz QYBZZOLSEMEGEG-SNVBAGLBSA-N 1 0 329.401 -2.107 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268085998 785384800 /nfs/dbraw/zinc/38/48/00/785384800.db2.gz LGZXFZNEGGHPNJ-AXFHLTTASA-N 1 0 334.442 -1.564 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268086002 785384713 /nfs/dbraw/zinc/38/47/13/785384713.db2.gz LGZXFZNEGGHPNJ-MXWKQRLJSA-N 1 0 334.442 -1.564 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)NCC(=O)N1CCCC1)N(C)C(=O)C(N)=O ZINC001268086224 785385801 /nfs/dbraw/zinc/38/58/01/785385801.db2.gz XFSTWCVQQIYWQQ-JTQLQIEISA-N 1 0 327.385 -2.353 20 0 EAADRO C[C@H](C[NH2+]CC(=O)NCC(=O)N1CCCC1)N(C)C(=O)C(N)=O ZINC001268086231 785385693 /nfs/dbraw/zinc/38/56/93/785385693.db2.gz XFSTWCVQQIYWQQ-SNVBAGLBSA-N 1 0 327.385 -2.353 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001268087271 785385435 /nfs/dbraw/zinc/38/54/35/785385435.db2.gz WRRHXSYBUBWBFZ-ABAIWWIYSA-N 1 0 325.413 -1.026 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001268087273 785385630 /nfs/dbraw/zinc/38/56/30/785385630.db2.gz WRRHXSYBUBWBFZ-IAQYHMDHSA-N 1 0 325.413 -1.026 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001268087274 785385365 /nfs/dbraw/zinc/38/53/65/785385365.db2.gz WRRHXSYBUBWBFZ-NHYWBVRUSA-N 1 0 325.413 -1.026 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001268087276 785385716 /nfs/dbraw/zinc/38/57/16/785385716.db2.gz WRRHXSYBUBWBFZ-XHDPSFHLSA-N 1 0 325.413 -1.026 20 0 EAADRO C[C@H](C[NH2+]CCOCCO)N(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268088288 785385125 /nfs/dbraw/zinc/38/51/25/785385125.db2.gz XSAGYFCWMWRGBP-LLVKDONJSA-N 1 0 342.396 -1.857 20 0 EAADRO C[C@@H](C[NH2+]CCOCCO)N(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268088289 785385334 /nfs/dbraw/zinc/38/53/34/785385334.db2.gz XSAGYFCWMWRGBP-NSHDSACASA-N 1 0 342.396 -1.857 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268089604 785386925 /nfs/dbraw/zinc/38/69/25/785386925.db2.gz KTAWQAAKZYRREM-JTQLQIEISA-N 1 0 341.412 -1.111 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268089605 785386641 /nfs/dbraw/zinc/38/66/41/785386641.db2.gz KTAWQAAKZYRREM-SNVBAGLBSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001268090160 785386916 /nfs/dbraw/zinc/38/69/16/785386916.db2.gz QKPGZLMPTRHJFH-JTQLQIEISA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001268090161 785386488 /nfs/dbraw/zinc/38/64/88/785386488.db2.gz QKPGZLMPTRHJFH-SNVBAGLBSA-N 1 0 339.396 -1.499 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001268091052 785387142 /nfs/dbraw/zinc/38/71/42/785387142.db2.gz ZWCDMQAVHZTGPZ-MRVPVSSYSA-N 1 0 341.368 -2.069 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001268091053 785386686 /nfs/dbraw/zinc/38/66/86/785386686.db2.gz ZWCDMQAVHZTGPZ-QMMMGPOBSA-N 1 0 341.368 -2.069 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)c1cnn(C)n1 ZINC001268091060 785386464 /nfs/dbraw/zinc/38/64/64/785386464.db2.gz ZYJCPZMKPJCHGU-JTQLQIEISA-N 1 0 332.430 -1.243 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)c1cnn(C)n1 ZINC001268091061 785386675 /nfs/dbraw/zinc/38/66/75/785386675.db2.gz ZYJCPZMKPJCHGU-SNVBAGLBSA-N 1 0 332.430 -1.243 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001268091368 785386747 /nfs/dbraw/zinc/38/67/47/785386747.db2.gz CBAVCMLXXQHHMW-PSASIEDQSA-N 1 0 335.364 -1.031 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001268091369 785386183 /nfs/dbraw/zinc/38/61/83/785386183.db2.gz CBAVCMLXXQHHMW-SCZZXKLOSA-N 1 0 335.364 -1.031 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001268091370 785386249 /nfs/dbraw/zinc/38/62/49/785386249.db2.gz CBAVCMLXXQHHMW-WCBMZHEXSA-N 1 0 335.364 -1.031 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001268091371 785386966 /nfs/dbraw/zinc/38/69/66/785386966.db2.gz CBAVCMLXXQHHMW-WPRPVWTQSA-N 1 0 335.364 -1.031 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268093787 785388155 /nfs/dbraw/zinc/38/81/55/785388155.db2.gz LFSPXXRYJWGIRQ-GHMZBOCLSA-N 1 0 330.385 -1.676 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268093794 785387811 /nfs/dbraw/zinc/38/78/11/785387811.db2.gz LFSPXXRYJWGIRQ-WDEREUQCSA-N 1 0 330.385 -1.676 20 0 EAADRO C[C@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)CCn1cnnn1 ZINC001268093963 785388357 /nfs/dbraw/zinc/38/83/57/785388357.db2.gz RHYPZIJBWHSKNG-LLVKDONJSA-N 1 0 337.384 -1.351 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)CCn1cnnn1 ZINC001268093964 785387801 /nfs/dbraw/zinc/38/78/01/785387801.db2.gz RHYPZIJBWHSKNG-NSHDSACASA-N 1 0 337.384 -1.351 20 0 EAADRO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268095808 785388616 /nfs/dbraw/zinc/38/86/16/785388616.db2.gz WSDAEORJQIMIRW-LLVKDONJSA-N 1 0 337.384 -1.391 20 0 EAADRO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268095809 785388781 /nfs/dbraw/zinc/38/87/81/785388781.db2.gz WSDAEORJQIMIRW-NSHDSACASA-N 1 0 337.384 -1.391 20 0 EAADRO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268095962 785389853 /nfs/dbraw/zinc/38/98/53/785389853.db2.gz NQBVBAKBAAICRE-LLVKDONJSA-N 1 0 349.391 -1.126 20 0 EAADRO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268095966 785389926 /nfs/dbraw/zinc/38/99/26/785389926.db2.gz NQBVBAKBAAICRE-NSHDSACASA-N 1 0 349.391 -1.126 20 0 EAADRO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cccn(C)c1=O ZINC001268096188 785387760 /nfs/dbraw/zinc/38/77/60/785387760.db2.gz ZNHUKXNBLSWXRO-LLVKDONJSA-N 1 0 349.391 -1.013 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cccn(C)c1=O ZINC001268096189 785388069 /nfs/dbraw/zinc/38/80/69/785388069.db2.gz ZNHUKXNBLSWXRO-NSHDSACASA-N 1 0 349.391 -1.013 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096330 785389403 /nfs/dbraw/zinc/38/94/03/785389403.db2.gz QELVXQZHRSGVFO-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096332 785389906 /nfs/dbraw/zinc/38/99/06/785389906.db2.gz QELVXQZHRSGVFO-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096334 785390626 /nfs/dbraw/zinc/39/06/26/785390626.db2.gz QELVXQZHRSGVFO-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096336 785390215 /nfs/dbraw/zinc/39/02/15/785390215.db2.gz QELVXQZHRSGVFO-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096548 785390652 /nfs/dbraw/zinc/39/06/52/785390652.db2.gz SEICQKWYJLMFEZ-NXEZZACHSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096549 785390474 /nfs/dbraw/zinc/39/04/74/785390474.db2.gz SEICQKWYJLMFEZ-UWVGGRQHSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096550 785389351 /nfs/dbraw/zinc/38/93/51/785389351.db2.gz SEICQKWYJLMFEZ-VHSXEESVSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096551 785390409 /nfs/dbraw/zinc/39/04/09/785390409.db2.gz SEICQKWYJLMFEZ-ZJUUUORDSA-N 1 0 325.369 -1.747 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001268096970 785390508 /nfs/dbraw/zinc/39/05/08/785390508.db2.gz XDQKTEBJOLEAHO-GHMZBOCLSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268096971 785389308 /nfs/dbraw/zinc/38/93/08/785389308.db2.gz XDQKTEBJOLEAHO-MNOVXSKESA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268096972 785389750 /nfs/dbraw/zinc/38/97/50/785389750.db2.gz XDQKTEBJOLEAHO-QWRGUYRKSA-N 1 0 341.412 -1.064 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001268096973 785390529 /nfs/dbraw/zinc/39/05/29/785390529.db2.gz XDQKTEBJOLEAHO-WDEREUQCSA-N 1 0 341.412 -1.064 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001268097130 785390403 /nfs/dbraw/zinc/39/04/03/785390403.db2.gz YSWFORFXGOZMQR-MNOVXSKESA-N 1 0 330.385 -1.676 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001268097131 785390636 /nfs/dbraw/zinc/39/06/36/785390636.db2.gz YSWFORFXGOZMQR-QWRGUYRKSA-N 1 0 330.385 -1.676 20 0 EAADRO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001268098596 785390230 /nfs/dbraw/zinc/39/02/30/785390230.db2.gz GJEIGJDLATYZBW-LLVKDONJSA-N 1 0 348.411 -1.210 20 0 EAADRO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001268098600 785389633 /nfs/dbraw/zinc/38/96/33/785389633.db2.gz GJEIGJDLATYZBW-NSHDSACASA-N 1 0 348.411 -1.210 20 0 EAADRO C[C@@H](C[NH2+]CCOCCO)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268099964 785389368 /nfs/dbraw/zinc/38/93/68/785389368.db2.gz JMGWMNVUXPVFDC-JTQLQIEISA-N 1 0 328.369 -1.455 20 0 EAADRO C[C@H](C[NH2+]CCOCCO)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268099965 785389593 /nfs/dbraw/zinc/38/95/93/785389593.db2.gz JMGWMNVUXPVFDC-SNVBAGLBSA-N 1 0 328.369 -1.455 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]CCS(C)(=O)=O ZINC001268100363 785389322 /nfs/dbraw/zinc/38/93/22/785389322.db2.gz MMJRSFVUVGQSOW-SECBINFHSA-N 1 0 329.444 -1.983 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]CCS(C)(=O)=O ZINC001268100371 785389621 /nfs/dbraw/zinc/38/96/21/785389621.db2.gz MMJRSFVUVGQSOW-VIFPVBQESA-N 1 0 329.444 -1.983 20 0 EAADRO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268101223 785390065 /nfs/dbraw/zinc/39/00/65/785390065.db2.gz FJQNJPJQRMOALK-BDAKNGLRSA-N 1 0 338.368 -1.902 20 0 EAADRO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268101229 785389579 /nfs/dbraw/zinc/38/95/79/785389579.db2.gz FJQNJPJQRMOALK-DTWKUNHWSA-N 1 0 338.368 -1.902 20 0 EAADRO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268101231 785390679 /nfs/dbraw/zinc/39/06/79/785390679.db2.gz FJQNJPJQRMOALK-IUCAKERBSA-N 1 0 338.368 -1.902 20 0 EAADRO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268101233 785389771 /nfs/dbraw/zinc/38/97/71/785389771.db2.gz FJQNJPJQRMOALK-RKDXNWHRSA-N 1 0 338.368 -1.902 20 0 EAADRO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268101378 785389710 /nfs/dbraw/zinc/38/97/10/785389710.db2.gz HMRXFMFQRKLZDD-NXEZZACHSA-N 1 0 348.425 -1.975 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268101379 785390087 /nfs/dbraw/zinc/39/00/87/785390087.db2.gz HMRXFMFQRKLZDD-UWVGGRQHSA-N 1 0 348.425 -1.975 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268101380 785390351 /nfs/dbraw/zinc/39/03/51/785390351.db2.gz HMRXFMFQRKLZDD-VHSXEESVSA-N 1 0 348.425 -1.975 20 0 EAADRO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268101381 785389560 /nfs/dbraw/zinc/38/95/60/785389560.db2.gz HMRXFMFQRKLZDD-ZJUUUORDSA-N 1 0 348.425 -1.975 20 0 EAADRO CC(C)C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268107582 785390729 /nfs/dbraw/zinc/39/07/29/785390729.db2.gz ZVYGUZMTOPEPFX-MNOVXSKESA-N 1 0 341.412 -1.207 20 0 EAADRO CC(C)C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268107583 785390299 /nfs/dbraw/zinc/39/02/99/785390299.db2.gz ZVYGUZMTOPEPFX-QWRGUYRKSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(C)C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C(N)=O ZINC001268111092 785390689 /nfs/dbraw/zinc/39/06/89/785390689.db2.gz MEMHEFWZWVLFIV-NEPJUHHUSA-N 1 0 328.413 -1.425 20 0 EAADRO CC(C)C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C(N)=O ZINC001268111102 785390399 /nfs/dbraw/zinc/39/03/99/785390399.db2.gz MEMHEFWZWVLFIV-RYUDHWBXSA-N 1 0 328.413 -1.425 20 0 EAADRO C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001268113501 785390129 /nfs/dbraw/zinc/39/01/29/785390129.db2.gz QLDOWFKFQSGPCI-NEPJUHHUSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001268113502 785389479 /nfs/dbraw/zinc/38/94/79/785389479.db2.gz QLDOWFKFQSGPCI-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001268122821 785391339 /nfs/dbraw/zinc/39/13/39/785391339.db2.gz FBZCCTSIYPGJPE-GHMZBOCLSA-N 1 0 345.429 -1.951 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001268122827 785391210 /nfs/dbraw/zinc/39/12/10/785391210.db2.gz FBZCCTSIYPGJPE-MNOVXSKESA-N 1 0 345.429 -1.951 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001268122829 785391347 /nfs/dbraw/zinc/39/13/47/785391347.db2.gz FBZCCTSIYPGJPE-QWRGUYRKSA-N 1 0 345.429 -1.951 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001268122830 785391201 /nfs/dbraw/zinc/39/12/01/785391201.db2.gz FBZCCTSIYPGJPE-WDEREUQCSA-N 1 0 345.429 -1.951 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001268124007 785391274 /nfs/dbraw/zinc/39/12/74/785391274.db2.gz PLRDYRWFSDJYRE-AAEUAGOBSA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC001268124008 785391380 /nfs/dbraw/zinc/39/13/80/785391380.db2.gz PLRDYRWFSDJYRE-DGCLKSJQSA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001268124009 785391023 /nfs/dbraw/zinc/39/10/23/785391023.db2.gz PLRDYRWFSDJYRE-WCQYABFASA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC001268124010 785391579 /nfs/dbraw/zinc/39/15/79/785391579.db2.gz PLRDYRWFSDJYRE-YPMHNXCESA-N 1 0 348.469 -1.112 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001268125123 785391318 /nfs/dbraw/zinc/39/13/18/785391318.db2.gz CBAZVRSGDSWUJZ-NEPJUHHUSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001268125124 785391331 /nfs/dbraw/zinc/39/13/31/785391331.db2.gz CBAZVRSGDSWUJZ-NWDGAFQWSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001268125125 785391142 /nfs/dbraw/zinc/39/11/42/785391142.db2.gz CBAZVRSGDSWUJZ-RYUDHWBXSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001268125126 785391424 /nfs/dbraw/zinc/39/14/24/785391424.db2.gz CBAZVRSGDSWUJZ-VXGBXAGGSA-N 1 0 328.413 -1.159 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001268125199 785391282 /nfs/dbraw/zinc/39/12/82/785391282.db2.gz CZLAMJVXTGALIO-GHMZBOCLSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001268125200 785391111 /nfs/dbraw/zinc/39/11/11/785391111.db2.gz CZLAMJVXTGALIO-MNOVXSKESA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC001268125201 785391116 /nfs/dbraw/zinc/39/11/16/785391116.db2.gz CZLAMJVXTGALIO-QWRGUYRKSA-N 1 0 341.412 -1.205 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC001268125202 785391183 /nfs/dbraw/zinc/39/11/83/785391183.db2.gz CZLAMJVXTGALIO-WDEREUQCSA-N 1 0 341.412 -1.205 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)COCCOC)C[C@H]1C ZINC001268125455 785391586 /nfs/dbraw/zinc/39/15/86/785391586.db2.gz FRSSTDPPRCGCBQ-NEPJUHHUSA-N 1 0 344.412 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCCOC)C[C@@H]1C ZINC001268125456 785391048 /nfs/dbraw/zinc/39/10/48/785391048.db2.gz FRSSTDPPRCGCBQ-NWDGAFQWSA-N 1 0 344.412 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)COCCOC)C[C@@H]1C ZINC001268125457 785391414 /nfs/dbraw/zinc/39/14/14/785391414.db2.gz FRSSTDPPRCGCBQ-RYUDHWBXSA-N 1 0 344.412 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCCOC)C[C@H]1C ZINC001268125458 785391612 /nfs/dbraw/zinc/39/16/12/785391612.db2.gz FRSSTDPPRCGCBQ-VXGBXAGGSA-N 1 0 344.412 -1.068 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001268131245 785393032 /nfs/dbraw/zinc/39/30/32/785393032.db2.gz ZACSFWOOOHOFTH-AAEUAGOBSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001268131246 785392530 /nfs/dbraw/zinc/39/25/30/785392530.db2.gz ZACSFWOOOHOFTH-DGCLKSJQSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001268131247 785392908 /nfs/dbraw/zinc/39/29/08/785392908.db2.gz ZACSFWOOOHOFTH-WCQYABFASA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001268131248 785391970 /nfs/dbraw/zinc/39/19/70/785391970.db2.gz ZACSFWOOOHOFTH-YPMHNXCESA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001268137511 785392409 /nfs/dbraw/zinc/39/24/09/785392409.db2.gz HZHVFIVHEOJBLY-CMPLNLGQSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001268137512 785392704 /nfs/dbraw/zinc/39/27/04/785392704.db2.gz HZHVFIVHEOJBLY-JQWIXIFHSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001268137513 785393241 /nfs/dbraw/zinc/39/32/41/785393241.db2.gz HZHVFIVHEOJBLY-PWSUYJOCSA-N 1 0 338.408 -1.046 20 0 EAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001268137514 785393088 /nfs/dbraw/zinc/39/30/88/785393088.db2.gz HZHVFIVHEOJBLY-ZYHUDNBSSA-N 1 0 338.408 -1.046 20 0 EAADRO Cn1[nH]c(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cnnn2)nc1=O ZINC001268144685 785391928 /nfs/dbraw/zinc/39/19/28/785391928.db2.gz LCTZZOOZAGNILE-LLVKDONJSA-N 1 0 349.399 -1.344 20 0 EAADRO Cn1[nH]c(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cnnn2)nc1=O ZINC001268144686 785393274 /nfs/dbraw/zinc/39/32/74/785393274.db2.gz LCTZZOOZAGNILE-NSHDSACASA-N 1 0 349.399 -1.344 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268145603 785392305 /nfs/dbraw/zinc/39/23/05/785392305.db2.gz NULUZFFCFFBXRF-JTQLQIEISA-N 1 0 348.425 -1.413 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268145604 785393309 /nfs/dbraw/zinc/39/33/09/785393309.db2.gz NULUZFFCFFBXRF-SNVBAGLBSA-N 1 0 348.425 -1.413 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](CCOCCO)C2)n(C)c1=O ZINC001268150336 785392370 /nfs/dbraw/zinc/39/23/70/785392370.db2.gz HOKHITVYAQFYIX-GFCCVEGCSA-N 1 0 326.397 -1.073 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001268151762 785392223 /nfs/dbraw/zinc/39/22/23/785392223.db2.gz YFUNSQNXIOZCHW-NEPJUHHUSA-N 1 0 342.396 -1.436 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001268151763 785392144 /nfs/dbraw/zinc/39/21/44/785392144.db2.gz YFUNSQNXIOZCHW-VXGBXAGGSA-N 1 0 342.396 -1.436 20 0 EAADRO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268152782 785392132 /nfs/dbraw/zinc/39/21/32/785392132.db2.gz APANVWYTZOZYSY-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268152784 785392713 /nfs/dbraw/zinc/39/27/13/785392713.db2.gz APANVWYTZOZYSY-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO NC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001268156007 785393264 /nfs/dbraw/zinc/39/32/64/785393264.db2.gz ZOCRLDBHBOULNQ-LLVKDONJSA-N 1 0 337.380 -1.205 20 0 EAADRO NC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001268156008 785394417 /nfs/dbraw/zinc/39/44/17/785394417.db2.gz ZOCRLDBHBOULNQ-NSHDSACASA-N 1 0 337.380 -1.205 20 0 EAADRO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O)S(C)(=O)=O ZINC001268156315 785393851 /nfs/dbraw/zinc/39/38/51/785393851.db2.gz XKSOLFAJIPJHBX-LLVKDONJSA-N 1 0 334.442 -1.276 20 0 EAADRO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O)S(C)(=O)=O ZINC001268156318 785394963 /nfs/dbraw/zinc/39/49/63/785394963.db2.gz XKSOLFAJIPJHBX-NSHDSACASA-N 1 0 334.442 -1.276 20 0 EAADRO NC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001268156498 785394301 /nfs/dbraw/zinc/39/43/01/785394301.db2.gz YNKODUKJRMMFGZ-GFCCVEGCSA-N 1 0 326.397 -1.309 20 0 EAADRO NC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001268156499 785393933 /nfs/dbraw/zinc/39/39/33/785393933.db2.gz YNKODUKJRMMFGZ-LBPRGKRZSA-N 1 0 326.397 -1.309 20 0 EAADRO C[C@@H]([NH2+]CCOCCO)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001268166356 785393737 /nfs/dbraw/zinc/39/37/37/785393737.db2.gz BXCOZYSGEPBHAF-CHWSQXEVSA-N 1 0 326.401 -1.101 20 0 EAADRO C[C@@H]([NH2+]CCOCCO)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001268166357 785393797 /nfs/dbraw/zinc/39/37/97/785393797.db2.gz BXCOZYSGEPBHAF-OLZOCXBDSA-N 1 0 326.401 -1.101 20 0 EAADRO C[C@H]([NH2+]CCOCCO)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001268166358 785394661 /nfs/dbraw/zinc/39/46/61/785394661.db2.gz BXCOZYSGEPBHAF-QWHCGFSZSA-N 1 0 326.401 -1.101 20 0 EAADRO C[C@H]([NH2+]CCOCCO)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001268166359 785394228 /nfs/dbraw/zinc/39/42/28/785394228.db2.gz BXCOZYSGEPBHAF-STQMWFEESA-N 1 0 326.401 -1.101 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001268169944 785393941 /nfs/dbraw/zinc/39/39/41/785393941.db2.gz PVKNVJXDPPXIPB-UONOGXRCSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176237 785394562 /nfs/dbraw/zinc/39/45/62/785394562.db2.gz YTAOMAJTJAOMKJ-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176239 785393875 /nfs/dbraw/zinc/39/38/75/785393875.db2.gz YTAOMAJTJAOMKJ-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176241 785394506 /nfs/dbraw/zinc/39/45/06/785394506.db2.gz YTAOMAJTJAOMKJ-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176243 785394036 /nfs/dbraw/zinc/39/40/36/785394036.db2.gz YTAOMAJTJAOMKJ-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176499 785393868 /nfs/dbraw/zinc/39/38/68/785393868.db2.gz ZLYSIGJQEIQDAT-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176502 785394880 /nfs/dbraw/zinc/39/48/80/785394880.db2.gz ZLYSIGJQEIQDAT-NWDGAFQWSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176505 785394486 /nfs/dbraw/zinc/39/44/86/785394486.db2.gz ZLYSIGJQEIQDAT-RYUDHWBXSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268176508 785394607 /nfs/dbraw/zinc/39/46/07/785394607.db2.gz ZLYSIGJQEIQDAT-VXGBXAGGSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H]([NH2+]CCCO)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001268176946 785394989 /nfs/dbraw/zinc/39/49/89/785394989.db2.gz PKCQWZZYHDCKGA-NEPJUHHUSA-N 1 0 338.412 -1.024 20 0 EAADRO C[C@H]([NH2+]CCCO)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001268176947 785394757 /nfs/dbraw/zinc/39/47/57/785394757.db2.gz PKCQWZZYHDCKGA-NWDGAFQWSA-N 1 0 338.412 -1.024 20 0 EAADRO C[C@H]([NH2+]CCCO)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001268176949 785394940 /nfs/dbraw/zinc/39/49/40/785394940.db2.gz PKCQWZZYHDCKGA-RYUDHWBXSA-N 1 0 338.412 -1.024 20 0 EAADRO C[C@@H]([NH2+]CCCO)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001268176951 785393982 /nfs/dbraw/zinc/39/39/82/785393982.db2.gz PKCQWZZYHDCKGA-VXGBXAGGSA-N 1 0 338.412 -1.024 20 0 EAADRO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001268179001 785394500 /nfs/dbraw/zinc/39/45/00/785394500.db2.gz NKESEYTZYOKLSO-GHMZBOCLSA-N 1 0 339.396 -1.418 20 0 EAADRO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001268179002 785394742 /nfs/dbraw/zinc/39/47/42/785394742.db2.gz NKESEYTZYOKLSO-MNOVXSKESA-N 1 0 339.396 -1.418 20 0 EAADRO C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001268179003 785393856 /nfs/dbraw/zinc/39/38/56/785393856.db2.gz NKESEYTZYOKLSO-QWRGUYRKSA-N 1 0 339.396 -1.418 20 0 EAADRO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001268179004 785393977 /nfs/dbraw/zinc/39/39/77/785393977.db2.gz NKESEYTZYOKLSO-WDEREUQCSA-N 1 0 339.396 -1.418 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001268179497 785394791 /nfs/dbraw/zinc/39/47/91/785394791.db2.gz JSJJXDFEFFWVSN-NEPJUHHUSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001268179498 785393898 /nfs/dbraw/zinc/39/38/98/785393898.db2.gz JSJJXDFEFFWVSN-NWDGAFQWSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001268179499 785394543 /nfs/dbraw/zinc/39/45/43/785394543.db2.gz JSJJXDFEFFWVSN-RYUDHWBXSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001268179500 785394919 /nfs/dbraw/zinc/39/49/19/785394919.db2.gz JSJJXDFEFFWVSN-VXGBXAGGSA-N 1 0 344.441 -1.066 20 0 EAADRO C[C@@H]1CCCN(C(=O)CC(N)=O)[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001268182833 785396148 /nfs/dbraw/zinc/39/61/48/785396148.db2.gz BPRVVOHAOVQPHG-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@H]1CCCN(C(=O)CC(N)=O)[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001268182836 785395994 /nfs/dbraw/zinc/39/59/94/785395994.db2.gz BPRVVOHAOVQPHG-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H]1CCCN(C(=O)CC(N)=O)[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001268182839 785396374 /nfs/dbraw/zinc/39/63/74/785396374.db2.gz BPRVVOHAOVQPHG-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H]1CCCN(C(=O)CC(N)=O)[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001268182842 785396029 /nfs/dbraw/zinc/39/60/29/785396029.db2.gz BPRVVOHAOVQPHG-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@H]1CCCN(C(=O)CC(N)=O)[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001268185334 785396257 /nfs/dbraw/zinc/39/62/57/785396257.db2.gz JXVKYFAWRULJGJ-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]1CCCN(C(=O)CC(N)=O)[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001268185336 785396052 /nfs/dbraw/zinc/39/60/52/785396052.db2.gz JXVKYFAWRULJGJ-NWDGAFQWSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]1CCCN(C(=O)CC(N)=O)[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001268185338 785395572 /nfs/dbraw/zinc/39/55/72/785395572.db2.gz JXVKYFAWRULJGJ-RYUDHWBXSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H]1CCCN(C(=O)CC(N)=O)[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001268185339 785395392 /nfs/dbraw/zinc/39/53/92/785395392.db2.gz JXVKYFAWRULJGJ-VXGBXAGGSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268189013 785396272 /nfs/dbraw/zinc/39/62/72/785396272.db2.gz KGHNEDLZRMZZNJ-GHMZBOCLSA-N 1 0 339.396 -2.353 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268189015 785396262 /nfs/dbraw/zinc/39/62/62/785396262.db2.gz KGHNEDLZRMZZNJ-MNOVXSKESA-N 1 0 339.396 -2.353 20 0 EAADRO C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268189017 785395722 /nfs/dbraw/zinc/39/57/22/785395722.db2.gz KGHNEDLZRMZZNJ-QWRGUYRKSA-N 1 0 339.396 -2.353 20 0 EAADRO C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268189018 785395401 /nfs/dbraw/zinc/39/54/01/785395401.db2.gz KGHNEDLZRMZZNJ-WDEREUQCSA-N 1 0 339.396 -2.353 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCOC ZINC001268189770 785396356 /nfs/dbraw/zinc/39/63/56/785396356.db2.gz MVBHWCZUTSOWNC-NEPJUHHUSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCOC ZINC001268189781 785395907 /nfs/dbraw/zinc/39/59/07/785395907.db2.gz MVBHWCZUTSOWNC-NWDGAFQWSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCOC ZINC001268189783 785396285 /nfs/dbraw/zinc/39/62/85/785396285.db2.gz MVBHWCZUTSOWNC-RYUDHWBXSA-N 1 0 336.458 -1.097 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCOC ZINC001268189784 785395580 /nfs/dbraw/zinc/39/55/80/785395580.db2.gz MVBHWCZUTSOWNC-VXGBXAGGSA-N 1 0 336.458 -1.097 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268191208 785396469 /nfs/dbraw/zinc/39/64/69/785396469.db2.gz SCHVPUHTEXFRRU-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268191209 785396457 /nfs/dbraw/zinc/39/64/57/785396457.db2.gz SCHVPUHTEXFRRU-UWVGGRQHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268191210 785396394 /nfs/dbraw/zinc/39/63/94/785396394.db2.gz SCHVPUHTEXFRRU-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268191211 785395518 /nfs/dbraw/zinc/39/55/18/785395518.db2.gz SCHVPUHTEXFRRU-ZJUUUORDSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCC1CCN(C(=O)C(N)=O)CC1 ZINC001268200103 785396313 /nfs/dbraw/zinc/39/63/13/785396313.db2.gz PIWLAFFXLYUBKD-SECBINFHSA-N 1 0 327.385 -1.384 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCC1CCN(C(=O)C(N)=O)CC1 ZINC001268200105 785395797 /nfs/dbraw/zinc/39/57/97/785395797.db2.gz PIWLAFFXLYUBKD-VIFPVBQESA-N 1 0 327.385 -1.384 20 0 EAADRO Cn1cnn(CC(=O)N[C@H]2CCC[N@H+](CCOCCO)C2)c1=O ZINC001268201930 785396163 /nfs/dbraw/zinc/39/61/63/785396163.db2.gz HZONUWCJIPVRCC-LBPRGKRZSA-N 1 0 327.385 -1.829 20 0 EAADRO CC(C)[C@@H](CNC(=O)[C@@H]1COCCO1)[NH2+]CCNS(C)(=O)=O ZINC001268203310 785395878 /nfs/dbraw/zinc/39/58/78/785395878.db2.gz CORVOJIFLJJVGU-NEPJUHHUSA-N 1 0 337.442 -1.319 20 0 EAADRO CC(C)[C@H](CNC(=O)[C@H]1COCCO1)[NH2+]CCNS(C)(=O)=O ZINC001268203323 785396250 /nfs/dbraw/zinc/39/62/50/785396250.db2.gz CORVOJIFLJJVGU-NWDGAFQWSA-N 1 0 337.442 -1.319 20 0 EAADRO CC(C)[C@H](CNC(=O)[C@@H]1COCCO1)[NH2+]CCNS(C)(=O)=O ZINC001268203325 785395651 /nfs/dbraw/zinc/39/56/51/785395651.db2.gz CORVOJIFLJJVGU-RYUDHWBXSA-N 1 0 337.442 -1.319 20 0 EAADRO CC(C)[C@@H](CNC(=O)[C@H]1COCCO1)[NH2+]CCNS(C)(=O)=O ZINC001268203328 785395680 /nfs/dbraw/zinc/39/56/80/785395680.db2.gz CORVOJIFLJJVGU-VXGBXAGGSA-N 1 0 337.442 -1.319 20 0 EAADRO COC(=O)NCC(=O)NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001268205190 785396366 /nfs/dbraw/zinc/39/63/66/785396366.db2.gz LHELUPIKJUBOGS-JTQLQIEISA-N 1 0 343.384 -1.375 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001268205196 785395252 /nfs/dbraw/zinc/39/52/52/785395252.db2.gz LHELUPIKJUBOGS-SNVBAGLBSA-N 1 0 343.384 -1.375 20 0 EAADRO CC(C)[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001268210750 785395534 /nfs/dbraw/zinc/39/55/34/785395534.db2.gz XYXIINNYYQTORQ-NEPJUHHUSA-N 1 0 348.469 -1.208 20 0 EAADRO CC(C)[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001268210752 785395919 /nfs/dbraw/zinc/39/59/19/785395919.db2.gz XYXIINNYYQTORQ-NWDGAFQWSA-N 1 0 348.469 -1.208 20 0 EAADRO CC(C)[C@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001268210753 785395632 /nfs/dbraw/zinc/39/56/32/785395632.db2.gz XYXIINNYYQTORQ-RYUDHWBXSA-N 1 0 348.469 -1.208 20 0 EAADRO CC(C)[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001268210754 785396304 /nfs/dbraw/zinc/39/63/04/785396304.db2.gz XYXIINNYYQTORQ-VXGBXAGGSA-N 1 0 348.469 -1.208 20 0 EAADRO CC(C)[C@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CCN1C(=O)CNC1=O ZINC001268212278 785395590 /nfs/dbraw/zinc/39/55/90/785395590.db2.gz KJDCDWPGFVAUOY-JTQLQIEISA-N 1 0 341.412 -1.220 20 0 EAADRO CC(C)[C@@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CCN1C(=O)CNC1=O ZINC001268212279 785396240 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/nfs/dbraw/zinc/39/71/50/785397150.db2.gz PGAWYCXXWGVUCM-VXGBXAGGSA-N 1 0 328.413 -1.112 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)CCCN1C(=O)CNC1=O ZINC001268234125 785398343 /nfs/dbraw/zinc/39/83/43/785398343.db2.gz DBBRNXGEXBPEDW-JTQLQIEISA-N 1 0 342.400 -1.625 20 0 EAADRO CCNC(=O)CC(=O)N(C)CCN(C)CC(=O)N1CCNC(=O)C1 ZINC001268235119 785397997 /nfs/dbraw/zinc/39/79/97/785397997.db2.gz ZJGSWSRWQUMTNM-UHFFFAOYSA-N 1 0 341.412 -2.139 20 0 EAADRO CN(CC[N@H+](C)CCCN1C(=O)CNC1=O)C(=O)c1cn(C)nn1 ZINC001268235133 785397134 /nfs/dbraw/zinc/39/71/34/785397134.db2.gz BHDOOPXRXPFBML-UHFFFAOYSA-N 1 0 337.384 -1.239 20 0 EAADRO C[C@H](C(N)=O)N1CCC[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001268235727 785397614 /nfs/dbraw/zinc/39/76/14/785397614.db2.gz NPIWGHGQJKYEIQ-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@@H](C(N)=O)N1CCC[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001268235728 785397561 /nfs/dbraw/zinc/39/75/61/785397561.db2.gz NPIWGHGQJKYEIQ-QWRGUYRKSA-N 1 0 339.396 -1.227 20 0 EAADRO CN(CC[N@H+](C)CCNC(=O)C1CC1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268239052 785398215 /nfs/dbraw/zinc/39/82/15/785398215.db2.gz OTNXIXNRKQQKNZ-NSHDSACASA-N 1 0 339.396 -1.499 20 0 EAADRO CC[C@]1(C(=O)N(C)CCN(C)CC(=O)NC(N)=O)CCNC1=O ZINC001268239653 785398460 /nfs/dbraw/zinc/39/84/60/785398460.db2.gz UQCATRBOPQEICM-AWEZNQCLSA-N 1 0 327.385 -1.512 20 0 EAADRO CC[C@@]1(C(=O)N(C)CCN(C)CC(=O)NC(N)=O)CCNC1=O ZINC001268239657 785397360 /nfs/dbraw/zinc/39/73/60/785397360.db2.gz UQCATRBOPQEICM-CQSZACIVSA-N 1 0 327.385 -1.512 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCCNC1=O ZINC001268241803 785397591 /nfs/dbraw/zinc/39/75/91/785397591.db2.gz XSYFZOJLWCGCKV-LLVKDONJSA-N 1 0 339.396 -1.545 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@H]1CCCNC1=O ZINC001268241804 785397490 /nfs/dbraw/zinc/39/74/90/785397490.db2.gz XSYFZOJLWCGCKV-NSHDSACASA-N 1 0 339.396 -1.545 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001268241950 785398244 /nfs/dbraw/zinc/39/82/44/785398244.db2.gz DFWUFJNUYGSSKP-LLVKDONJSA-N 1 0 339.396 -1.545 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001268241952 785397834 /nfs/dbraw/zinc/39/78/34/785397834.db2.gz DFWUFJNUYGSSKP-NSHDSACASA-N 1 0 339.396 -1.545 20 0 EAADRO COCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268243676 785399464 /nfs/dbraw/zinc/39/94/64/785399464.db2.gz MNZRTIUNYOCTDQ-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CN(CC[N@H+](C)C[C@H](O)CN1CCCC1=O)C(=O)C1(C(N)=O)CC1 ZINC001268247152 785399362 /nfs/dbraw/zinc/39/93/62/785399362.db2.gz NAPVVVWBEOGOJD-LBPRGKRZSA-N 1 0 340.424 -1.375 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001268247403 785400281 /nfs/dbraw/zinc/40/02/81/785400281.db2.gz KXUMHOKIYGGNCS-SECBINFHSA-N 1 0 326.357 -2.390 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001268247411 785399995 /nfs/dbraw/zinc/39/99/95/785399995.db2.gz KXUMHOKIYGGNCS-VIFPVBQESA-N 1 0 326.357 -2.390 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)C1(C(N)=O)CC1 ZINC001268248042 785399848 /nfs/dbraw/zinc/39/98/48/785399848.db2.gz ZUNUWGOFJVAMNV-UHFFFAOYSA-N 1 0 325.369 -1.806 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001268251071 785399552 /nfs/dbraw/zinc/39/95/52/785399552.db2.gz LMHLGMIRHKTXEM-HNNXBMFYSA-N 1 0 339.396 -1.545 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001268251072 785400512 /nfs/dbraw/zinc/40/05/12/785400512.db2.gz LMHLGMIRHKTXEM-OAHLLOKOSA-N 1 0 339.396 -1.545 20 0 EAADRO CN(CC[N@H+](C)CCN1CCNC1=O)C(=O)C1CC(=O)NC(=O)C1 ZINC001268253515 785400175 /nfs/dbraw/zinc/40/01/75/785400175.db2.gz VCOZOYCBNDZVNV-UHFFFAOYSA-N 1 0 339.396 -1.545 20 0 EAADRO CN(CC[N@H+](C)CCCN1C(=O)CNC1=O)C(=O)Cn1cncn1 ZINC001268255882 785399449 /nfs/dbraw/zinc/39/94/49/785399449.db2.gz HVWOCHATVDZHCT-UHFFFAOYSA-N 1 0 337.384 -1.390 20 0 EAADRO CN(CC[N@H+](C)CCN1C(=O)CCC1=O)C(=O)c1ccc(=O)n(C)n1 ZINC001268256096 785400578 /nfs/dbraw/zinc/40/05/78/785400578.db2.gz JDIQAQDNYHQLIP-UHFFFAOYSA-N 1 0 349.391 -1.067 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001268267372 785399492 /nfs/dbraw/zinc/39/94/92/785399492.db2.gz FSGCIAFANXSQDJ-NEPJUHHUSA-N 1 0 336.400 -1.427 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001268267377 785399210 /nfs/dbraw/zinc/39/92/10/785399210.db2.gz FSGCIAFANXSQDJ-NWDGAFQWSA-N 1 0 336.400 -1.427 20 0 EAADRO O=C(Cn1cnnn1)N[C@H]1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001268267379 785400680 /nfs/dbraw/zinc/40/06/80/785400680.db2.gz FSGCIAFANXSQDJ-RYUDHWBXSA-N 1 0 336.400 -1.427 20 0 EAADRO O=C(Cn1cnnn1)N[C@@H]1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001268267382 785400530 /nfs/dbraw/zinc/40/05/30/785400530.db2.gz FSGCIAFANXSQDJ-VXGBXAGGSA-N 1 0 336.400 -1.427 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001268271496 785401125 /nfs/dbraw/zinc/40/11/25/785401125.db2.gz SNJNUUYEQMMSAE-CHWSQXEVSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001268271507 785401740 /nfs/dbraw/zinc/40/17/40/785401740.db2.gz SNJNUUYEQMMSAE-OLZOCXBDSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001268271512 785401705 /nfs/dbraw/zinc/40/17/05/785401705.db2.gz SNJNUUYEQMMSAE-QWHCGFSZSA-N 1 0 348.469 -1.112 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001268271516 785401579 /nfs/dbraw/zinc/40/15/79/785401579.db2.gz SNJNUUYEQMMSAE-STQMWFEESA-N 1 0 348.469 -1.112 20 0 EAADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O)c1nnc[nH]1 ZINC001268284514 785401469 /nfs/dbraw/zinc/40/14/69/785401469.db2.gz AWAMYXVTXJXULE-NXEZZACHSA-N 1 0 335.368 -1.155 20 0 EAADRO O=C(N[C@H]1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O)c1nnc[nH]1 ZINC001268284516 785401378 /nfs/dbraw/zinc/40/13/78/785401378.db2.gz AWAMYXVTXJXULE-UWVGGRQHSA-N 1 0 335.368 -1.155 20 0 EAADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O)c1nnc[nH]1 ZINC001268284518 785401440 /nfs/dbraw/zinc/40/14/40/785401440.db2.gz AWAMYXVTXJXULE-VHSXEESVSA-N 1 0 335.368 -1.155 20 0 EAADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O)c1nnc[nH]1 ZINC001268284520 785401968 /nfs/dbraw/zinc/40/19/68/785401968.db2.gz AWAMYXVTXJXULE-ZJUUUORDSA-N 1 0 335.368 -1.155 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001268288340 785401082 /nfs/dbraw/zinc/40/10/82/785401082.db2.gz RHVXVGZUVGNYFG-GHMZBOCLSA-N 1 0 332.426 -1.618 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001268288344 785401236 /nfs/dbraw/zinc/40/12/36/785401236.db2.gz RHVXVGZUVGNYFG-MNOVXSKESA-N 1 0 332.426 -1.618 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001268288346 785402134 /nfs/dbraw/zinc/40/21/34/785402134.db2.gz RHVXVGZUVGNYFG-QWRGUYRKSA-N 1 0 332.426 -1.618 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001268288347 785401199 /nfs/dbraw/zinc/40/11/99/785401199.db2.gz RHVXVGZUVGNYFG-WDEREUQCSA-N 1 0 332.426 -1.618 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268291188 785401155 /nfs/dbraw/zinc/40/11/55/785401155.db2.gz LMPBLLJURJHLBB-NEPJUHHUSA-N 1 0 349.395 -1.296 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268291189 785401169 /nfs/dbraw/zinc/40/11/69/785401169.db2.gz LMPBLLJURJHLBB-NWDGAFQWSA-N 1 0 349.395 -1.296 20 0 EAADRO O=C(Cn1cncn1)N[C@H]1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268291190 785401058 /nfs/dbraw/zinc/40/10/58/785401058.db2.gz LMPBLLJURJHLBB-RYUDHWBXSA-N 1 0 349.395 -1.296 20 0 EAADRO O=C(Cn1cncn1)N[C@@H]1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001268291191 785401310 /nfs/dbraw/zinc/40/13/10/785401310.db2.gz LMPBLLJURJHLBB-VXGBXAGGSA-N 1 0 349.395 -1.296 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001268291600 785401529 /nfs/dbraw/zinc/40/15/29/785401529.db2.gz ZFWKTZRXDRHMPN-GHMZBOCLSA-N 1 0 337.380 -1.714 20 0 EAADRO NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001268291601 785401488 /nfs/dbraw/zinc/40/14/88/785401488.db2.gz ZFWKTZRXDRHMPN-MNOVXSKESA-N 1 0 337.380 -1.714 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001268291602 785401821 /nfs/dbraw/zinc/40/18/21/785401821.db2.gz ZFWKTZRXDRHMPN-QWRGUYRKSA-N 1 0 337.380 -1.714 20 0 EAADRO NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001268291603 785401366 /nfs/dbraw/zinc/40/13/66/785401366.db2.gz ZFWKTZRXDRHMPN-WDEREUQCSA-N 1 0 337.380 -1.714 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CCCC1 ZINC001268293786 785402089 /nfs/dbraw/zinc/40/20/89/785402089.db2.gz IGAGSGLJUUVVOF-CHWSQXEVSA-N 1 0 341.408 -1.247 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CCCC1 ZINC001268293787 785401158 /nfs/dbraw/zinc/40/11/58/785401158.db2.gz IGAGSGLJUUVVOF-OLZOCXBDSA-N 1 0 341.408 -1.247 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CCCC1 ZINC001268293788 785401286 /nfs/dbraw/zinc/40/12/86/785401286.db2.gz IGAGSGLJUUVVOF-QWHCGFSZSA-N 1 0 341.408 -1.247 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CCCC1 ZINC001268293789 785401318 /nfs/dbraw/zinc/40/13/18/785401318.db2.gz IGAGSGLJUUVVOF-STQMWFEESA-N 1 0 341.408 -1.247 20 0 EAADRO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)cn1 ZINC001268294286 785401229 /nfs/dbraw/zinc/40/12/29/785401229.db2.gz FUVSYVNHFLWWTB-LLVKDONJSA-N 1 0 330.410 -1.100 20 0 EAADRO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)cn1 ZINC001268294287 785401143 /nfs/dbraw/zinc/40/11/43/785401143.db2.gz FUVSYVNHFLWWTB-NSHDSACASA-N 1 0 330.410 -1.100 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)c1cccnc1)S(C)(=O)=O ZINC001268294478 785401262 /nfs/dbraw/zinc/40/12/62/785401262.db2.gz HNDXGLZWUNTUEQ-GFCCVEGCSA-N 1 0 330.410 -1.347 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)c1cccnc1)S(C)(=O)=O ZINC001268294479 785401194 /nfs/dbraw/zinc/40/11/94/785401194.db2.gz HNDXGLZWUNTUEQ-LBPRGKRZSA-N 1 0 330.410 -1.347 20 0 EAADRO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)cn1 ZINC001268294584 785401275 /nfs/dbraw/zinc/40/12/75/785401275.db2.gz IIDLMJQUNYGONM-LLVKDONJSA-N 1 0 345.425 -1.643 20 0 EAADRO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)cn1 ZINC001268294586 785402041 /nfs/dbraw/zinc/40/20/41/785402041.db2.gz IIDLMJQUNYGONM-NSHDSACASA-N 1 0 345.425 -1.643 20 0 EAADRO Cc1c(C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O)nnn1C ZINC001268294815 785401210 /nfs/dbraw/zinc/40/12/10/785401210.db2.gz BDBMDIIKKOQDJI-SECBINFHSA-N 1 0 334.402 -2.647 20 0 EAADRO Cc1c(C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)nnn1C ZINC001268294816 785402081 /nfs/dbraw/zinc/40/20/81/785402081.db2.gz BDBMDIIKKOQDJI-VIFPVBQESA-N 1 0 334.402 -2.647 20 0 EAADRO O=C(Cc1ccon1)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001268294824 785401922 /nfs/dbraw/zinc/40/19/22/785401922.db2.gz BEYURUDPHJQVES-GFCCVEGCSA-N 1 0 346.409 -1.681 20 0 EAADRO O=C(Cc1ccon1)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001268294825 785401783 /nfs/dbraw/zinc/40/17/83/785401783.db2.gz BEYURUDPHJQVES-LBPRGKRZSA-N 1 0 346.409 -1.681 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001268295040 785401838 /nfs/dbraw/zinc/40/18/38/785401838.db2.gz KHUISXDUVQOJDJ-CYBMUJFWSA-N 1 0 333.348 -1.001 20 0 EAADRO COc1nccc(C[NH2+]C[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001268295041 785401682 /nfs/dbraw/zinc/40/16/82/785401682.db2.gz KHUISXDUVQOJDJ-ZDUSSCGKSA-N 1 0 333.348 -1.001 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001268295212 785401402 /nfs/dbraw/zinc/40/14/02/785401402.db2.gz CPXZSLVOEVEAEF-SSDOTTSWSA-N 1 0 328.291 -2.051 20 0 EAADRO CN(CC(F)(F)F)C(=O)C[NH2+]C[C@H](O)CNC(=O)CC(N)=O ZINC001268295214 785401887 /nfs/dbraw/zinc/40/18/87/785401887.db2.gz CPXZSLVOEVEAEF-ZETCQYMHSA-N 1 0 328.291 -2.051 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001268295388 785402141 /nfs/dbraw/zinc/40/21/41/785402141.db2.gz LDKPAZKJKYQZMO-KBPBESRZSA-N 1 0 335.364 -1.742 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001268295389 785401879 /nfs/dbraw/zinc/40/18/79/785401879.db2.gz LDKPAZKJKYQZMO-KGLIPLIRSA-N 1 0 335.364 -1.742 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001268295390 785401915 /nfs/dbraw/zinc/40/19/15/785401915.db2.gz LDKPAZKJKYQZMO-UONOGXRCSA-N 1 0 335.364 -1.742 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001268295391 785401860 /nfs/dbraw/zinc/40/18/60/785401860.db2.gz LDKPAZKJKYQZMO-ZIAGYGMSSA-N 1 0 335.364 -1.742 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)n1 ZINC001268296068 785401567 /nfs/dbraw/zinc/40/15/67/785401567.db2.gz NPFSPOJZHPCWGY-LLVKDONJSA-N 1 0 335.368 -1.229 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)n(C)n1 ZINC001268296081 785401203 /nfs/dbraw/zinc/40/12/03/785401203.db2.gz BZKYBOHLVPQDED-JTQLQIEISA-N 1 0 333.414 -2.042 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O)n(C)n1 ZINC001268296086 785401176 /nfs/dbraw/zinc/40/11/76/785401176.db2.gz BZKYBOHLVPQDED-SNVBAGLBSA-N 1 0 333.414 -2.042 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)[nH]n2)n1 ZINC001268296093 785401587 /nfs/dbraw/zinc/40/15/87/785401587.db2.gz NPFSPOJZHPCWGY-NSHDSACASA-N 1 0 335.368 -1.229 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]CCn1c(C)csc1=O ZINC001268296150 785401852 /nfs/dbraw/zinc/40/18/52/785401852.db2.gz BREPJLXQHXNLAG-GFCCVEGCSA-N 1 0 344.437 -1.237 20 0 EAADRO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]CCn1c(C)csc1=O ZINC001268296152 785401360 /nfs/dbraw/zinc/40/13/60/785401360.db2.gz BREPJLXQHXNLAG-LBPRGKRZSA-N 1 0 344.437 -1.237 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCN2CCCS2(=O)=O)no1 ZINC001268296209 785403047 /nfs/dbraw/zinc/40/30/47/785403047.db2.gz OGIGDYPBBANNAQ-LLVKDONJSA-N 1 0 346.409 -1.301 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCS2(=O)=O)no1 ZINC001268296215 785402988 /nfs/dbraw/zinc/40/29/88/785402988.db2.gz OGIGDYPBBANNAQ-NSHDSACASA-N 1 0 346.409 -1.301 20 0 EAADRO CC(C)=CC(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001268296420 785403474 /nfs/dbraw/zinc/40/34/74/785403474.db2.gz PFBFUTKIQZZZGP-CYBMUJFWSA-N 1 0 340.424 -1.242 20 0 EAADRO CC(C)=CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001268296421 785402706 /nfs/dbraw/zinc/40/27/06/785402706.db2.gz PFBFUTKIQZZZGP-ZDUSSCGKSA-N 1 0 340.424 -1.242 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1ccc(F)nc1 ZINC001268297116 785402661 /nfs/dbraw/zinc/40/26/61/785402661.db2.gz ITHALZHPZDVMED-LLVKDONJSA-N 1 0 325.344 -1.074 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1ccc(F)nc1 ZINC001268297124 785403190 /nfs/dbraw/zinc/40/31/90/785403190.db2.gz ITHALZHPZDVMED-NSHDSACASA-N 1 0 325.344 -1.074 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)C1=COCCC1 ZINC001268297341 785401549 /nfs/dbraw/zinc/40/15/49/785401549.db2.gz GNFKIJQUNDYREJ-CYBMUJFWSA-N 1 0 347.437 -1.217 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)C1=COCCC1 ZINC001268297344 785401507 /nfs/dbraw/zinc/40/15/07/785401507.db2.gz GNFKIJQUNDYREJ-ZDUSSCGKSA-N 1 0 347.437 -1.217 20 0 EAADRO O=C(C[C@@H]1CCCO1)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268297345 785402127 /nfs/dbraw/zinc/40/21/27/785402127.db2.gz GNFSZEWWRBCWFC-NEPJUHHUSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(C[C@H]1CCCO1)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268297348 785401731 /nfs/dbraw/zinc/40/17/31/785401731.db2.gz GNFSZEWWRBCWFC-NWDGAFQWSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(C[C@@H]1CCCO1)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268297349 785402120 /nfs/dbraw/zinc/40/21/20/785402120.db2.gz GNFSZEWWRBCWFC-RYUDHWBXSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(C[C@H]1CCCO1)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268297350 785401329 /nfs/dbraw/zinc/40/13/29/785401329.db2.gz GNFSZEWWRBCWFC-VXGBXAGGSA-N 1 0 327.381 -1.229 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)c1cnccn1)S(C)(=O)=O ZINC001268297617 785401112 /nfs/dbraw/zinc/40/11/12/785401112.db2.gz UUQOPVDWMQZKGB-JTQLQIEISA-N 1 0 331.398 -1.952 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)c1cnccn1)S(C)(=O)=O ZINC001268297627 785401093 /nfs/dbraw/zinc/40/10/93/785401093.db2.gz UUQOPVDWMQZKGB-SNVBAGLBSA-N 1 0 331.398 -1.952 20 0 EAADRO Cc1nnsc1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268297888 785402789 /nfs/dbraw/zinc/40/27/89/785402789.db2.gz HCDBOKYFEAVDMY-SECBINFHSA-N 1 0 328.398 -1.448 20 0 EAADRO Cc1nnsc1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268297889 785403080 /nfs/dbraw/zinc/40/30/80/785403080.db2.gz HCDBOKYFEAVDMY-VIFPVBQESA-N 1 0 328.398 -1.448 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001268298176 785402529 /nfs/dbraw/zinc/40/25/29/785402529.db2.gz MCXHKHZNZVZWJF-NXEZZACHSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001268298177 785403394 /nfs/dbraw/zinc/40/33/94/785403394.db2.gz MCXHKHZNZVZWJF-VHSXEESVSA-N 1 0 326.353 -2.519 20 0 EAADRO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001268298338 785402623 /nfs/dbraw/zinc/40/26/23/785402623.db2.gz JUPOLVUGWWEUDO-GFCCVEGCSA-N 1 0 337.380 -1.593 20 0 EAADRO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001268298344 785403212 /nfs/dbraw/zinc/40/32/12/785403212.db2.gz JUPOLVUGWWEUDO-LBPRGKRZSA-N 1 0 337.380 -1.593 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCO1 ZINC001268298352 785403000 /nfs/dbraw/zinc/40/30/00/785403000.db2.gz YPYNJPXTXRKHQQ-GHMZBOCLSA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCO1 ZINC001268298377 785402432 /nfs/dbraw/zinc/40/24/32/785402432.db2.gz YPYNJPXTXRKHQQ-MNOVXSKESA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCO1 ZINC001268298378 785402512 /nfs/dbraw/zinc/40/25/12/785402512.db2.gz YPYNJPXTXRKHQQ-QWRGUYRKSA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCO1 ZINC001268298379 785403405 /nfs/dbraw/zinc/40/34/05/785403405.db2.gz YPYNJPXTXRKHQQ-WDEREUQCSA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC001268298435 785403489 /nfs/dbraw/zinc/40/34/89/785403489.db2.gz JDBAVXWWEVPBLL-GHMZBOCLSA-N 1 0 330.410 -1.085 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268298455 785402801 /nfs/dbraw/zinc/40/28/01/785402801.db2.gz NGMWLIKHAVPNCP-SECBINFHSA-N 1 0 328.369 -1.780 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268298465 785402767 /nfs/dbraw/zinc/40/27/67/785402767.db2.gz NGMWLIKHAVPNCP-VIFPVBQESA-N 1 0 328.369 -1.780 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC001268298473 785402797 /nfs/dbraw/zinc/40/27/97/785402797.db2.gz JDBAVXWWEVPBLL-MNOVXSKESA-N 1 0 330.410 -1.085 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC001268298477 785402847 /nfs/dbraw/zinc/40/28/47/785402847.db2.gz JDBAVXWWEVPBLL-QWRGUYRKSA-N 1 0 330.410 -1.085 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC001268298480 785403446 /nfs/dbraw/zinc/40/34/46/785403446.db2.gz JDBAVXWWEVPBLL-WDEREUQCSA-N 1 0 330.410 -1.085 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H](O)CNC(=O)c1ccccc1O ZINC001268298847 785402857 /nfs/dbraw/zinc/40/28/57/785402857.db2.gz KBOWWDOMUXQQCD-JTQLQIEISA-N 1 0 331.394 -1.378 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H](O)CNC(=O)c1ccccc1O ZINC001268298852 785403366 /nfs/dbraw/zinc/40/33/66/785403366.db2.gz KBOWWDOMUXQQCD-SNVBAGLBSA-N 1 0 331.394 -1.378 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCOC1 ZINC001268299406 785403122 /nfs/dbraw/zinc/40/31/22/785403122.db2.gz MOKJMULXBLAWGQ-GHMZBOCLSA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCOC1 ZINC001268299421 785403172 /nfs/dbraw/zinc/40/31/72/785403172.db2.gz MOKJMULXBLAWGQ-MNOVXSKESA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCOC1 ZINC001268299424 785403128 /nfs/dbraw/zinc/40/31/28/785403128.db2.gz MOKJMULXBLAWGQ-QWRGUYRKSA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCOC1 ZINC001268299427 785403262 /nfs/dbraw/zinc/40/32/62/785403262.db2.gz MOKJMULXBLAWGQ-WDEREUQCSA-N 1 0 328.369 -1.969 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001268299583 785403184 /nfs/dbraw/zinc/40/31/84/785403184.db2.gz QUZPGFPUKFBZPO-SECBINFHSA-N 1 0 330.385 -1.486 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001268299587 785403036 /nfs/dbraw/zinc/40/30/36/785403036.db2.gz QUZPGFPUKFBZPO-VIFPVBQESA-N 1 0 330.385 -1.486 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)nc1 ZINC001268299886 785403176 /nfs/dbraw/zinc/40/31/76/785403176.db2.gz RJAYWHNINRAHJH-PSASIEDQSA-N 1 0 341.343 -1.255 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(F)nc1 ZINC001268299895 785403113 /nfs/dbraw/zinc/40/31/13/785403113.db2.gz RJAYWHNINRAHJH-SCZZXKLOSA-N 1 0 341.343 -1.255 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)nc1 ZINC001268299896 785403026 /nfs/dbraw/zinc/40/30/26/785403026.db2.gz RJAYWHNINRAHJH-WCBMZHEXSA-N 1 0 341.343 -1.255 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(F)nc1 ZINC001268299898 785402596 /nfs/dbraw/zinc/40/25/96/785402596.db2.gz RJAYWHNINRAHJH-WPRPVWTQSA-N 1 0 341.343 -1.255 20 0 EAADRO Cc1cc(CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)no1 ZINC001268299947 785402722 /nfs/dbraw/zinc/40/27/22/785402722.db2.gz RXNDHEFACOXYSK-LLVKDONJSA-N 1 0 339.352 -1.856 20 0 EAADRO Cc1cc(CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)no1 ZINC001268299952 785402692 /nfs/dbraw/zinc/40/26/92/785402692.db2.gz RXNDHEFACOXYSK-NSHDSACASA-N 1 0 339.352 -1.856 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@H]1COCCO1 ZINC001268300968 785403062 /nfs/dbraw/zinc/40/30/62/785403062.db2.gz QNKTZUGYPMBEPV-GHMZBOCLSA-N 1 0 329.353 -2.383 20 0 EAADRO Cc1[nH]ccc1C(=O)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001268300970 785403269 /nfs/dbraw/zinc/40/32/69/785403269.db2.gz KNCZXISJKURLJF-LLVKDONJSA-N 1 0 337.380 -1.055 20 0 EAADRO Cc1[nH]ccc1C(=O)NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001268300971 785402611 /nfs/dbraw/zinc/40/26/11/785402611.db2.gz KNCZXISJKURLJF-NSHDSACASA-N 1 0 337.380 -1.055 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@@H]1COCCO1 ZINC001268300972 785403349 /nfs/dbraw/zinc/40/33/49/785403349.db2.gz QNKTZUGYPMBEPV-MNOVXSKESA-N 1 0 329.353 -2.383 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@@H]1COCCO1 ZINC001268300974 785403019 /nfs/dbraw/zinc/40/30/19/785403019.db2.gz QNKTZUGYPMBEPV-QWRGUYRKSA-N 1 0 329.353 -2.383 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@H]1COCCO1 ZINC001268300976 785403300 /nfs/dbraw/zinc/40/33/00/785403300.db2.gz QNKTZUGYPMBEPV-WDEREUQCSA-N 1 0 329.353 -2.383 20 0 EAADRO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]CCn1nc(C)nc1C ZINC001268301252 785403306 /nfs/dbraw/zinc/40/33/06/785403306.db2.gz SFAGRIYPSDSQHN-LLVKDONJSA-N 1 0 328.373 -1.682 20 0 EAADRO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]CCn1nc(C)nc1C ZINC001268301260 785403064 /nfs/dbraw/zinc/40/30/64/785403064.db2.gz SFAGRIYPSDSQHN-NSHDSACASA-N 1 0 328.373 -1.682 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cn[nH]c1 ZINC001268301263 785403094 /nfs/dbraw/zinc/40/30/94/785403094.db2.gz SFZOGGKTDBSMBC-CMPLNLGQSA-N 1 0 330.410 -1.085 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cn[nH]c1 ZINC001268301266 785403342 /nfs/dbraw/zinc/40/33/42/785403342.db2.gz SFZOGGKTDBSMBC-JQWIXIFHSA-N 1 0 330.410 -1.085 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cn[nH]c1 ZINC001268301268 785402518 /nfs/dbraw/zinc/40/25/18/785402518.db2.gz SFZOGGKTDBSMBC-PWSUYJOCSA-N 1 0 330.410 -1.085 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cn[nH]c1 ZINC001268301270 785402479 /nfs/dbraw/zinc/40/24/79/785402479.db2.gz SFZOGGKTDBSMBC-ZYHUDNBSSA-N 1 0 330.410 -1.085 20 0 EAADRO Cc1ncsc1C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001268301275 785402917 /nfs/dbraw/zinc/40/29/17/785402917.db2.gz SKILECWRBHWUNL-SECBINFHSA-N 1 0 336.439 -1.319 20 0 EAADRO Cc1ncsc1C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001268301280 785403460 /nfs/dbraw/zinc/40/34/60/785403460.db2.gz SKILECWRBHWUNL-VIFPVBQESA-N 1 0 336.439 -1.319 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)o1 ZINC001268301628 785403244 /nfs/dbraw/zinc/40/32/44/785403244.db2.gz XUOCBUMYBVZQRB-JTQLQIEISA-N 1 0 339.352 -1.476 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)o1 ZINC001268301629 785402587 /nfs/dbraw/zinc/40/25/87/785402587.db2.gz XUOCBUMYBVZQRB-SNVBAGLBSA-N 1 0 339.352 -1.476 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268301661 785402828 /nfs/dbraw/zinc/40/28/28/785402828.db2.gz XZLNPROBDNAGIE-AAEUAGOBSA-N 1 0 344.437 -1.156 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268301667 785402758 /nfs/dbraw/zinc/40/27/58/785402758.db2.gz XZLNPROBDNAGIE-DGCLKSJQSA-N 1 0 344.437 -1.156 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268301668 785403355 /nfs/dbraw/zinc/40/33/55/785403355.db2.gz XZLNPROBDNAGIE-WCQYABFASA-N 1 0 344.437 -1.156 20 0 EAADRO O=C(Cc1cc[nH]n1)NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268301670 785403220 /nfs/dbraw/zinc/40/32/20/785403220.db2.gz XZLNPROBDNAGIE-YPMHNXCESA-N 1 0 344.437 -1.156 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001268301966 785403082 /nfs/dbraw/zinc/40/30/82/785403082.db2.gz YTRPSFOLJVGVOC-DTWKUNHWSA-N 1 0 327.341 -3.117 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001268301968 785403088 /nfs/dbraw/zinc/40/30/88/785403088.db2.gz YTRPSFOLJVGVOC-RKDXNWHRSA-N 1 0 327.341 -3.117 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001268302031 785402900 /nfs/dbraw/zinc/40/29/00/785402900.db2.gz ZKEGQIXVKWLWLC-LLVKDONJSA-N 1 0 349.453 -1.296 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001268302032 785403070 /nfs/dbraw/zinc/40/30/70/785403070.db2.gz ZKEGQIXVKWLWLC-NSHDSACASA-N 1 0 349.453 -1.296 20 0 EAADRO O=C(CC(F)(F)F)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001268302314 785403207 /nfs/dbraw/zinc/40/32/07/785403207.db2.gz WXDHWESQWHGCGP-MRVPVSSYSA-N 1 0 340.302 -1.053 20 0 EAADRO O=C(CC(F)(F)F)NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001268302319 785402835 /nfs/dbraw/zinc/40/28/35/785402835.db2.gz WXDHWESQWHGCGP-QMMMGPOBSA-N 1 0 340.302 -1.053 20 0 EAADRO O=C(COC1CCCC1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268302455 785403148 /nfs/dbraw/zinc/40/31/48/785403148.db2.gz XEWLAJHPKSBUSE-CMPLNLGQSA-N 1 0 327.381 -1.183 20 0 EAADRO O=C(COC1CCCC1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268302456 785403250 /nfs/dbraw/zinc/40/32/50/785403250.db2.gz XEWLAJHPKSBUSE-JQWIXIFHSA-N 1 0 327.381 -1.183 20 0 EAADRO O=C(COC1CCCC1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268302458 785402633 /nfs/dbraw/zinc/40/26/33/785402633.db2.gz XEWLAJHPKSBUSE-PWSUYJOCSA-N 1 0 327.381 -1.183 20 0 EAADRO O=C(COC1CCCC1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268302460 785402648 /nfs/dbraw/zinc/40/26/48/785402648.db2.gz XEWLAJHPKSBUSE-ZYHUDNBSSA-N 1 0 327.381 -1.183 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001268302461 785403194 /nfs/dbraw/zinc/40/31/94/785403194.db2.gz RRFMQRFEYLOWFO-NEPJUHHUSA-N 1 0 339.396 -1.096 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001268302462 785403413 /nfs/dbraw/zinc/40/34/13/785403413.db2.gz RRFMQRFEYLOWFO-NWDGAFQWSA-N 1 0 339.396 -1.096 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001268302463 785402490 /nfs/dbraw/zinc/40/24/90/785402490.db2.gz RRFMQRFEYLOWFO-RYUDHWBXSA-N 1 0 339.396 -1.096 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001268302466 785403313 /nfs/dbraw/zinc/40/33/13/785403313.db2.gz RRFMQRFEYLOWFO-VXGBXAGGSA-N 1 0 339.396 -1.096 20 0 EAADRO Cc1cccnc1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268302619 785403379 /nfs/dbraw/zinc/40/33/79/785403379.db2.gz TTZQIQFRBOPOML-LLVKDONJSA-N 1 0 335.364 -1.378 20 0 EAADRO Cc1cccnc1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268302624 785403385 /nfs/dbraw/zinc/40/33/85/785403385.db2.gz TTZQIQFRBOPOML-NSHDSACASA-N 1 0 335.364 -1.378 20 0 EAADRO O=C(CN1CCCC1=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268302638 785403399 /nfs/dbraw/zinc/40/33/99/785403399.db2.gz XFXBXSAJIOTMQW-LLVKDONJSA-N 1 0 327.385 -2.299 20 0 EAADRO O=C(CN1CCCC1=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268302646 785403436 /nfs/dbraw/zinc/40/34/36/785403436.db2.gz XFXBXSAJIOTMQW-NSHDSACASA-N 1 0 327.385 -2.299 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001268302836 785405087 /nfs/dbraw/zinc/40/50/87/785405087.db2.gz ZGDCVIYYSWPKFS-NEPJUHHUSA-N 1 0 332.401 -1.824 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001268302840 785404680 /nfs/dbraw/zinc/40/46/80/785404680.db2.gz ZGDCVIYYSWPKFS-NWDGAFQWSA-N 1 0 332.401 -1.824 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001268302843 785404318 /nfs/dbraw/zinc/40/43/18/785404318.db2.gz ZGDCVIYYSWPKFS-RYUDHWBXSA-N 1 0 332.401 -1.824 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001268302845 785404052 /nfs/dbraw/zinc/40/40/52/785404052.db2.gz ZGDCVIYYSWPKFS-VXGBXAGGSA-N 1 0 332.401 -1.824 20 0 EAADRO Cn1nccc1C(=O)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001268302992 785404822 /nfs/dbraw/zinc/40/48/22/785404822.db2.gz ZRRLMXNZUFSYJE-LLVKDONJSA-N 1 0 345.425 -1.864 20 0 EAADRO Cn1nccc1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001268302994 785404499 /nfs/dbraw/zinc/40/44/99/785404499.db2.gz ZRRLMXNZUFSYJE-NSHDSACASA-N 1 0 345.425 -1.864 20 0 EAADRO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001268303247 785405168 /nfs/dbraw/zinc/40/51/68/785405168.db2.gz AGGMOYPDWYULPJ-JTQLQIEISA-N 1 0 346.413 -2.469 20 0 EAADRO Cn1cc(C(=O)NC[C@H](O)C[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001268303248 785404385 /nfs/dbraw/zinc/40/43/85/785404385.db2.gz AGGMOYPDWYULPJ-SNVBAGLBSA-N 1 0 346.413 -2.469 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)cnn1 ZINC001268303279 785404078 /nfs/dbraw/zinc/40/40/78/785404078.db2.gz AUAHMLRGEOHQPN-GFCCVEGCSA-N 1 0 345.425 -1.643 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)cnn1 ZINC001268303280 785403975 /nfs/dbraw/zinc/40/39/75/785403975.db2.gz AUAHMLRGEOHQPN-LBPRGKRZSA-N 1 0 345.425 -1.643 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1=CCOCC1 ZINC001268303349 785405026 /nfs/dbraw/zinc/40/50/26/785405026.db2.gz CKBMEYTYBLIMFQ-GFCCVEGCSA-N 1 0 325.365 -1.451 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1=CCOCC1 ZINC001268303350 785404250 /nfs/dbraw/zinc/40/42/50/785404250.db2.gz CKBMEYTYBLIMFQ-LBPRGKRZSA-N 1 0 325.365 -1.451 20 0 EAADRO CCc1nc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)co1 ZINC001268303381 785404596 /nfs/dbraw/zinc/40/45/96/785404596.db2.gz DBCGZHXDNQTEIB-JTQLQIEISA-N 1 0 325.369 -1.058 20 0 EAADRO CCc1nc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)co1 ZINC001268303382 785404863 /nfs/dbraw/zinc/40/48/63/785404863.db2.gz DBCGZHXDNQTEIB-SNVBAGLBSA-N 1 0 325.369 -1.058 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cncnc1 ZINC001268303401 785405077 /nfs/dbraw/zinc/40/50/77/785405077.db2.gz DKANAFSBNDQTBB-AAEUAGOBSA-N 1 0 342.421 -1.018 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cncnc1 ZINC001268303402 785404307 /nfs/dbraw/zinc/40/43/07/785404307.db2.gz DKANAFSBNDQTBB-DGCLKSJQSA-N 1 0 342.421 -1.018 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cncnc1 ZINC001268303403 785404670 /nfs/dbraw/zinc/40/46/70/785404670.db2.gz DKANAFSBNDQTBB-WCQYABFASA-N 1 0 342.421 -1.018 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cncnc1 ZINC001268303404 785404646 /nfs/dbraw/zinc/40/46/46/785404646.db2.gz DKANAFSBNDQTBB-YPMHNXCESA-N 1 0 342.421 -1.018 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)C1=CCOCC1)S(C)(=O)=O ZINC001268303765 785404016 /nfs/dbraw/zinc/40/40/16/785404016.db2.gz HRADQTNOXFHTKL-GFCCVEGCSA-N 1 0 335.426 -1.709 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)C1=CCOCC1)S(C)(=O)=O ZINC001268303766 785404525 /nfs/dbraw/zinc/40/45/25/785404525.db2.gz HRADQTNOXFHTKL-LBPRGKRZSA-N 1 0 335.426 -1.709 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001268304023 785404553 /nfs/dbraw/zinc/40/45/53/785404553.db2.gz KIFOHHQHHHGLER-AWEZNQCLSA-N 1 0 340.428 -1.706 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001268304024 785404656 /nfs/dbraw/zinc/40/46/56/785404656.db2.gz KIFOHHQHHHGLER-CQSZACIVSA-N 1 0 340.428 -1.706 20 0 EAADRO Cn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC001268304216 785404714 /nfs/dbraw/zinc/40/47/14/785404714.db2.gz LXNRXSLABIWVBL-LLVKDONJSA-N 1 0 344.379 -1.023 20 0 EAADRO Cn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC001268304222 785403993 /nfs/dbraw/zinc/40/39/93/785403993.db2.gz LXNRXSLABIWVBL-NSHDSACASA-N 1 0 344.379 -1.023 20 0 EAADRO CC(C)[C@@H](O)C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001268304611 785405143 /nfs/dbraw/zinc/40/51/43/785405143.db2.gz PJUWLWPPFQEFKX-GHMZBOCLSA-N 1 0 344.412 -1.600 20 0 EAADRO CC(C)[C@@H](O)C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001268304612 785404736 /nfs/dbraw/zinc/40/47/36/785404736.db2.gz PJUWLWPPFQEFKX-WDEREUQCSA-N 1 0 344.412 -1.600 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2[nH]cnc21 ZINC001268304735 785404881 /nfs/dbraw/zinc/40/48/81/785404881.db2.gz AHRREWOKUUQMKI-SECBINFHSA-N 1 0 341.393 -1.317 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2[nH]cnc21 ZINC001268304737 785404342 /nfs/dbraw/zinc/40/43/42/785404342.db2.gz AHRREWOKUUQMKI-VIFPVBQESA-N 1 0 341.393 -1.317 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001268304839 785404626 /nfs/dbraw/zinc/40/46/26/785404626.db2.gz BHGARKMGXGHSEM-CMPLNLGQSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001268304843 785404139 /nfs/dbraw/zinc/40/41/39/785404139.db2.gz BHGARKMGXGHSEM-JQWIXIFHSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001268304844 785405037 /nfs/dbraw/zinc/40/50/37/785405037.db2.gz BHGARKMGXGHSEM-PWSUYJOCSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001268304845 785404763 /nfs/dbraw/zinc/40/47/63/785404763.db2.gz BHGARKMGXGHSEM-ZYHUDNBSSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001268304903 785404165 /nfs/dbraw/zinc/40/41/65/785404165.db2.gz QVNHKBVPVQQZFP-GHMZBOCLSA-N 1 0 326.357 -1.930 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001268304904 785404690 /nfs/dbraw/zinc/40/46/90/785404690.db2.gz QVNHKBVPVQQZFP-MNOVXSKESA-N 1 0 326.357 -1.930 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001268304905 785405092 /nfs/dbraw/zinc/40/50/92/785405092.db2.gz QVNHKBVPVQQZFP-QWRGUYRKSA-N 1 0 326.357 -1.930 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001268304906 785404000 /nfs/dbraw/zinc/40/40/00/785404000.db2.gz QVNHKBVPVQQZFP-WDEREUQCSA-N 1 0 326.357 -1.930 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304937 785404434 /nfs/dbraw/zinc/40/44/34/785404434.db2.gz OIOCBRDVIPWHFP-KBPBESRZSA-N 1 0 341.456 -1.049 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304938 785404942 /nfs/dbraw/zinc/40/49/42/785404942.db2.gz OIOCBRDVIPWHFP-KGLIPLIRSA-N 1 0 341.456 -1.049 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304940 785404893 /nfs/dbraw/zinc/40/48/93/785404893.db2.gz OIOCBRDVIPWHFP-UONOGXRCSA-N 1 0 341.456 -1.049 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304942 785404459 /nfs/dbraw/zinc/40/44/59/785404459.db2.gz OIOCBRDVIPWHFP-ZIAGYGMSSA-N 1 0 341.456 -1.049 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268304946 785404407 /nfs/dbraw/zinc/40/44/07/785404407.db2.gz OLBZPUSYUTWCEV-CHWSQXEVSA-N 1 0 335.470 -1.030 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268304947 785405050 /nfs/dbraw/zinc/40/50/50/785405050.db2.gz OLBZPUSYUTWCEV-OLZOCXBDSA-N 1 0 335.470 -1.030 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268304949 785404832 /nfs/dbraw/zinc/40/48/32/785404832.db2.gz OLBZPUSYUTWCEV-QWHCGFSZSA-N 1 0 335.470 -1.030 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268304951 785404913 /nfs/dbraw/zinc/40/49/13/785404913.db2.gz OLBZPUSYUTWCEV-STQMWFEESA-N 1 0 335.470 -1.030 20 0 EAADRO O=C(CN1CCCS1(=O)=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001268305343 785405481 /nfs/dbraw/zinc/40/54/81/785405481.db2.gz GRXHEJBMIXIWPM-GFCCVEGCSA-N 1 0 345.425 -2.015 20 0 EAADRO O=C(CN1CCCS1(=O)=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001268305346 785406428 /nfs/dbraw/zinc/40/64/28/785406428.db2.gz GRXHEJBMIXIWPM-LBPRGKRZSA-N 1 0 345.425 -2.015 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)cnn1 ZINC001268305444 785405754 /nfs/dbraw/zinc/40/57/54/785405754.db2.gz VKNJMHRGQIKFDM-GFCCVEGCSA-N 1 0 330.410 -1.100 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)cnn1 ZINC001268305446 785406326 /nfs/dbraw/zinc/40/63/26/785406326.db2.gz VKNJMHRGQIKFDM-LBPRGKRZSA-N 1 0 330.410 -1.100 20 0 EAADRO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]CCn2nc(C)nc2C)n1 ZINC001268305466 785405804 /nfs/dbraw/zinc/40/58/04/785405804.db2.gz VQRBPYJVTTYFRO-GFCCVEGCSA-N 1 0 336.400 -1.113 20 0 EAADRO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]CCn2nc(C)nc2C)n1 ZINC001268305481 785406565 /nfs/dbraw/zinc/40/65/65/785406565.db2.gz VQRBPYJVTTYFRO-LBPRGKRZSA-N 1 0 336.400 -1.113 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)cn1 ZINC001268305575 785405944 /nfs/dbraw/zinc/40/59/44/785405944.db2.gz HVMSLRWXNJREFO-GFCCVEGCSA-N 1 0 330.410 -1.926 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)C2CS(=O)(=O)C2)cn1 ZINC001268305576 785406225 /nfs/dbraw/zinc/40/62/25/785406225.db2.gz HVMSLRWXNJREFO-LBPRGKRZSA-N 1 0 330.410 -1.926 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1(F)CCOCC1 ZINC001268305577 785406013 /nfs/dbraw/zinc/40/60/13/785406013.db2.gz HWWDMXYSYQLOSA-LLVKDONJSA-N 1 0 345.371 -1.279 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1(F)CCOCC1 ZINC001268305578 785406335 /nfs/dbraw/zinc/40/63/35/785406335.db2.gz HWWDMXYSYQLOSA-NSHDSACASA-N 1 0 345.371 -1.279 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001268305839 785406442 /nfs/dbraw/zinc/40/64/42/785406442.db2.gz JBHVBUXBWMZGOP-NEPJUHHUSA-N 1 0 339.396 -1.144 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001268305843 785405588 /nfs/dbraw/zinc/40/55/88/785405588.db2.gz JBHVBUXBWMZGOP-NWDGAFQWSA-N 1 0 339.396 -1.144 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001268305844 785406555 /nfs/dbraw/zinc/40/65/55/785406555.db2.gz JBHVBUXBWMZGOP-RYUDHWBXSA-N 1 0 339.396 -1.144 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001268305845 785406156 /nfs/dbraw/zinc/40/61/56/785406156.db2.gz JBHVBUXBWMZGOP-VXGBXAGGSA-N 1 0 339.396 -1.144 20 0 EAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1)N1C(=O)CCC1=O ZINC001268305849 785405776 /nfs/dbraw/zinc/40/57/76/785405776.db2.gz JDHDBUBXIGUEIO-GXSJLCMTSA-N 1 0 340.380 -2.131 20 0 EAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1)N1C(=O)CCC1=O ZINC001268305851 785406207 /nfs/dbraw/zinc/40/62/07/785406207.db2.gz JDHDBUBXIGUEIO-KOLCDFICSA-N 1 0 340.380 -2.131 20 0 EAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1)N1C(=O)CCC1=O ZINC001268305852 785406541 /nfs/dbraw/zinc/40/65/41/785406541.db2.gz JDHDBUBXIGUEIO-MWLCHTKSSA-N 1 0 340.380 -2.131 20 0 EAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1)N1C(=O)CCC1=O ZINC001268305853 785405870 /nfs/dbraw/zinc/40/58/70/785405870.db2.gz JDHDBUBXIGUEIO-ONGXEEELSA-N 1 0 340.380 -2.131 20 0 EAADRO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268306152 785406036 /nfs/dbraw/zinc/40/60/36/785406036.db2.gz ZPPHAQMSNOLLNU-JTQLQIEISA-N 1 0 338.368 -1.865 20 0 EAADRO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268306155 785405892 /nfs/dbraw/zinc/40/58/92/785405892.db2.gz ZPPHAQMSNOLLNU-SNVBAGLBSA-N 1 0 338.368 -1.865 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001268306194 785406548 /nfs/dbraw/zinc/40/65/48/785406548.db2.gz MEQUWTUESCMDKR-NXEZZACHSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001268306195 785406621 /nfs/dbraw/zinc/40/66/21/785406621.db2.gz MEQUWTUESCMDKR-UWVGGRQHSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001268306196 785405836 /nfs/dbraw/zinc/40/58/36/785405836.db2.gz MEQUWTUESCMDKR-VHSXEESVSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001268306197 785406506 /nfs/dbraw/zinc/40/65/06/785406506.db2.gz MEQUWTUESCMDKR-ZJUUUORDSA-N 1 0 341.368 -2.917 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](O)C[NH2+]CCc1cccs1 ZINC001268306315 785406371 /nfs/dbraw/zinc/40/63/71/785406371.db2.gz AKWZTKTVZYPIKD-KOLCDFICSA-N 1 0 340.405 -1.045 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](O)C[NH2+]CCc1cccs1 ZINC001268306328 785406488 /nfs/dbraw/zinc/40/64/88/785406488.db2.gz AKWZTKTVZYPIKD-ONGXEEELSA-N 1 0 340.405 -1.045 20 0 EAADRO C[C@@H](F)CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268306621 785405998 /nfs/dbraw/zinc/40/59/98/785405998.db2.gz OUOKRMABVWQLAN-GHMZBOCLSA-N 1 0 330.360 -1.638 20 0 EAADRO C[C@@H](F)CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268306641 785405901 /nfs/dbraw/zinc/40/59/01/785405901.db2.gz OUOKRMABVWQLAN-MNOVXSKESA-N 1 0 330.360 -1.638 20 0 EAADRO C[C@H](F)CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268306643 785405495 /nfs/dbraw/zinc/40/54/95/785405495.db2.gz OUOKRMABVWQLAN-QWRGUYRKSA-N 1 0 330.360 -1.638 20 0 EAADRO C[C@H](F)CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268306645 785405744 /nfs/dbraw/zinc/40/57/44/785405744.db2.gz OUOKRMABVWQLAN-WDEREUQCSA-N 1 0 330.360 -1.638 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)Cc2ccn(C)n2)n1 ZINC001268306698 785405654 /nfs/dbraw/zinc/40/56/54/785405654.db2.gz YAROVYXLARZXMT-AWEZNQCLSA-N 1 0 335.412 -1.062 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)Cc2ccn(C)n2)n1 ZINC001268306701 785406470 /nfs/dbraw/zinc/40/64/70/785406470.db2.gz YAROVYXLARZXMT-CQSZACIVSA-N 1 0 335.412 -1.062 20 0 EAADRO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]CCn1c(C)csc1=O ZINC001268306900 785406598 /nfs/dbraw/zinc/40/65/98/785406598.db2.gz PCHBOGGHKVYLTA-JTQLQIEISA-N 1 0 345.425 -1.786 20 0 EAADRO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]CCn1c(C)csc1=O ZINC001268306903 785405644 /nfs/dbraw/zinc/40/56/44/785405644.db2.gz PCHBOGGHKVYLTA-SNVBAGLBSA-N 1 0 345.425 -1.786 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001268307510 785406526 /nfs/dbraw/zinc/40/65/26/785406526.db2.gz JBRPKAXZFGKOKL-SECBINFHSA-N 1 0 341.393 -1.317 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001268307511 785406602 /nfs/dbraw/zinc/40/66/02/785406602.db2.gz JBRPKAXZFGKOKL-VIFPVBQESA-N 1 0 341.393 -1.317 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001268307969 785404241 /nfs/dbraw/zinc/40/42/41/785404241.db2.gz JUYNQTBWQIPQKP-BQBZGAKWSA-N 1 0 326.275 -1.396 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](O)C[NH2+]CCC(F)(F)F ZINC001268307978 785405096 /nfs/dbraw/zinc/40/50/96/785405096.db2.gz JUYNQTBWQIPQKP-RQJHMYQMSA-N 1 0 326.275 -1.396 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001268307979 785404330 /nfs/dbraw/zinc/40/43/30/785404330.db2.gz XHKLKFZHVLWXHJ-GHMZBOCLSA-N 1 0 340.380 -2.320 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001268307989 785404171 /nfs/dbraw/zinc/40/41/71/785404171.db2.gz XHKLKFZHVLWXHJ-MNOVXSKESA-N 1 0 340.380 -2.320 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001268307991 785404281 /nfs/dbraw/zinc/40/42/81/785404281.db2.gz XHKLKFZHVLWXHJ-QWRGUYRKSA-N 1 0 340.380 -2.320 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001268307993 785404270 /nfs/dbraw/zinc/40/42/70/785404270.db2.gz XHKLKFZHVLWXHJ-WDEREUQCSA-N 1 0 340.380 -2.320 20 0 EAADRO COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001268308197 785404543 /nfs/dbraw/zinc/40/45/43/785404543.db2.gz NELVZPUZDBBYCY-CMPLNLGQSA-N 1 0 325.369 -1.524 20 0 EAADRO COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001268308202 785404034 /nfs/dbraw/zinc/40/40/34/785404034.db2.gz NELVZPUZDBBYCY-JQWIXIFHSA-N 1 0 325.369 -1.524 20 0 EAADRO COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001268308203 785405136 /nfs/dbraw/zinc/40/51/36/785405136.db2.gz NELVZPUZDBBYCY-PWSUYJOCSA-N 1 0 325.369 -1.524 20 0 EAADRO COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001268308207 785404727 /nfs/dbraw/zinc/40/47/27/785404727.db2.gz NELVZPUZDBBYCY-ZYHUDNBSSA-N 1 0 325.369 -1.524 20 0 EAADRO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]CCNC(=O)C2CC2)cc1=O ZINC001268308465 785405149 /nfs/dbraw/zinc/40/51/49/785405149.db2.gz MPDAIMOFALVDPO-LLVKDONJSA-N 1 0 337.380 -2.013 20 0 EAADRO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)C2CC2)cc1=O ZINC001268308466 785403937 /nfs/dbraw/zinc/40/39/37/785403937.db2.gz MPDAIMOFALVDPO-NSHDSACASA-N 1 0 337.380 -2.013 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cncn1)c1ccnc2ccnn21 ZINC001268309291 785404516 /nfs/dbraw/zinc/40/45/16/785404516.db2.gz UEUFKKZUERPKBT-LLVKDONJSA-N 1 0 330.352 -1.299 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)c1ccnc2ccnn21 ZINC001268309292 785403881 /nfs/dbraw/zinc/40/38/81/785403881.db2.gz UEUFKKZUERPKBT-NSHDSACASA-N 1 0 330.352 -1.299 20 0 EAADRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001268309339 785404992 /nfs/dbraw/zinc/40/49/92/785404992.db2.gz UMQGYNCLFJOYRU-BLLLJJGKSA-N 1 0 340.424 -1.504 20 0 EAADRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001268309340 785405156 /nfs/dbraw/zinc/40/51/56/785405156.db2.gz UMQGYNCLFJOYRU-LRDDRELGSA-N 1 0 340.424 -1.504 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001268309341 785404153 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/nfs/dbraw/zinc/40/61/64/785406164.db2.gz YXNSMDPWIQBSRZ-QWRGUYRKSA-N 1 0 338.368 -1.932 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1COC2)S(C)(=O)=O ZINC001268309924 785406302 /nfs/dbraw/zinc/40/63/02/785406302.db2.gz ZIJRNDYVXXXDTP-GVXVVHGQSA-N 1 0 335.426 -2.019 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2)S(C)(=O)=O ZINC001268309929 785406450 /nfs/dbraw/zinc/40/64/50/785406450.db2.gz ZIJRNDYVXXXDTP-LOWVWBTDSA-N 1 0 335.426 -2.019 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001268311450 785406130 /nfs/dbraw/zinc/40/61/30/785406130.db2.gz JABNJMVXBZJRJL-CHWSQXEVSA-N 1 0 338.412 -1.370 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001268311451 785406029 /nfs/dbraw/zinc/40/60/29/785406029.db2.gz JABNJMVXBZJRJL-QWHCGFSZSA-N 1 0 338.412 -1.370 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001268311770 785407145 /nfs/dbraw/zinc/40/71/45/785407145.db2.gz OVDPOVWANZIVCC-GHMZBOCLSA-N 1 0 335.426 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349.453 -1.611 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001268311960 785407927 /nfs/dbraw/zinc/40/79/27/785407927.db2.gz SEQMLLMQMSRRRN-BBRMVZONSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001268311961 785407793 /nfs/dbraw/zinc/40/77/93/785407793.db2.gz SEQMLLMQMSRRRN-CJNGLKHVSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001268311962 785408097 /nfs/dbraw/zinc/40/80/97/785408097.db2.gz SEQMLLMQMSRRRN-CZUORRHYSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001268311963 785407800 /nfs/dbraw/zinc/40/78/00/785407800.db2.gz SEQMLLMQMSRRRN-XJKSGUPXSA-N 1 0 337.424 -1.054 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)C(=O)NC(C)(C)C ZINC001268312103 785407329 /nfs/dbraw/zinc/40/73/29/785407329.db2.gz UDINJURKLCXHCB-NXEZZACHSA-N 1 0 330.429 -1.132 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)C(=O)NC(C)(C)C ZINC001268312106 785407200 /nfs/dbraw/zinc/40/72/00/785407200.db2.gz UDINJURKLCXHCB-UWVGGRQHSA-N 1 0 330.429 -1.132 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)C(=O)NC(C)(C)C ZINC001268312108 785407597 /nfs/dbraw/zinc/40/75/97/785407597.db2.gz UDINJURKLCXHCB-VHSXEESVSA-N 1 0 330.429 -1.132 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)C(=O)NC(C)(C)C ZINC001268312110 785407416 /nfs/dbraw/zinc/40/74/16/785407416.db2.gz UDINJURKLCXHCB-ZJUUUORDSA-N 1 0 330.429 -1.132 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)cn1C ZINC001268312204 785407529 /nfs/dbraw/zinc/40/75/29/785407529.db2.gz UZFYEWATJOTABU-LLVKDONJSA-N 1 0 345.421 -1.581 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)cn1C ZINC001268312205 785407152 /nfs/dbraw/zinc/40/71/52/785407152.db2.gz UZFYEWATJOTABU-NSHDSACASA-N 1 0 345.421 -1.581 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O)N1CCCCC1 ZINC001268312568 785407752 /nfs/dbraw/zinc/40/77/52/785407752.db2.gz YKNQXUSNULGAMC-CHWSQXEVSA-N 1 0 340.424 -1.408 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O)N1CCCCC1 ZINC001268312569 785407474 /nfs/dbraw/zinc/40/74/74/785407474.db2.gz YKNQXUSNULGAMC-OLZOCXBDSA-N 1 0 340.424 -1.408 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O)N1CCCCC1 ZINC001268312570 785408164 /nfs/dbraw/zinc/40/81/64/785408164.db2.gz YKNQXUSNULGAMC-QWHCGFSZSA-N 1 0 340.424 -1.408 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O)N1CCCCC1 ZINC001268312571 785407903 /nfs/dbraw/zinc/40/79/03/785407903.db2.gz YKNQXUSNULGAMC-STQMWFEESA-N 1 0 340.424 -1.408 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)c1cc2n(n1)CCCO2 ZINC001268312662 785407402 /nfs/dbraw/zinc/40/74/02/785407402.db2.gz HKQPRCBOVOYECA-JTQLQIEISA-N 1 0 346.409 -1.610 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)c1cc2n(n1)CCCO2 ZINC001268312663 785407070 /nfs/dbraw/zinc/40/70/70/785407070.db2.gz HKQPRCBOVOYECA-SNVBAGLBSA-N 1 0 346.409 -1.610 20 0 EAADRO CCc1nnsc1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268312788 785407390 /nfs/dbraw/zinc/40/73/90/785407390.db2.gz IWTZOQMEWJKBNK-MRVPVSSYSA-N 1 0 336.439 -1.175 20 0 EAADRO CCc1nnsc1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268312789 785407947 /nfs/dbraw/zinc/40/79/47/785407947.db2.gz IWTZOQMEWJKBNK-QMMMGPOBSA-N 1 0 336.439 -1.175 20 0 EAADRO NC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001268312806 785408055 /nfs/dbraw/zinc/40/80/55/785408055.db2.gz JEJZMTMNSOJENL-NEPJUHHUSA-N 1 0 339.400 -1.865 20 0 EAADRO NC(=O)N1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001268312807 785407242 /nfs/dbraw/zinc/40/72/42/785407242.db2.gz JEJZMTMNSOJENL-NWDGAFQWSA-N 1 0 339.400 -1.865 20 0 EAADRO NC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001268312808 785407013 /nfs/dbraw/zinc/40/70/13/785407013.db2.gz JEJZMTMNSOJENL-RYUDHWBXSA-N 1 0 339.400 -1.865 20 0 EAADRO NC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001268312809 785408063 /nfs/dbraw/zinc/40/80/63/785408063.db2.gz JEJZMTMNSOJENL-VXGBXAGGSA-N 1 0 339.400 -1.865 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001268312846 785408026 /nfs/dbraw/zinc/40/80/26/785408026.db2.gz KCUXTYSODGDQNN-NXEZZACHSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001268312847 785407446 /nfs/dbraw/zinc/40/74/46/785407446.db2.gz KCUXTYSODGDQNN-UWVGGRQHSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001268312848 785407713 /nfs/dbraw/zinc/40/77/13/785407713.db2.gz KCUXTYSODGDQNN-VHSXEESVSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001268312849 785407118 /nfs/dbraw/zinc/40/71/18/785407118.db2.gz KCUXTYSODGDQNN-ZJUUUORDSA-N 1 0 326.353 -2.519 20 0 EAADRO COc1nccc(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)n1 ZINC001268313128 785407652 /nfs/dbraw/zinc/40/76/52/785407652.db2.gz NNCNOWMEHFDOAN-LLVKDONJSA-N 1 0 337.380 -1.212 20 0 EAADRO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)n1 ZINC001268313129 785408076 /nfs/dbraw/zinc/40/80/76/785408076.db2.gz NNCNOWMEHFDOAN-NSHDSACASA-N 1 0 337.380 -1.212 20 0 EAADRO O=C(CCc1cccnc1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268313148 785407268 /nfs/dbraw/zinc/40/72/68/785407268.db2.gz NUUYZCJLPHBBRQ-CHWSQXEVSA-N 1 0 334.376 -1.114 20 0 EAADRO O=C(CCc1cccnc1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268313149 785407041 /nfs/dbraw/zinc/40/70/41/785407041.db2.gz NUUYZCJLPHBBRQ-OLZOCXBDSA-N 1 0 334.376 -1.114 20 0 EAADRO O=C(CCc1cccnc1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268313150 785407507 /nfs/dbraw/zinc/40/75/07/785407507.db2.gz NUUYZCJLPHBBRQ-QWHCGFSZSA-N 1 0 334.376 -1.114 20 0 EAADRO O=C(CCc1cccnc1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268313151 785407291 /nfs/dbraw/zinc/40/72/91/785407291.db2.gz NUUYZCJLPHBBRQ-STQMWFEESA-N 1 0 334.376 -1.114 20 0 EAADRO Cc1cc(=O)oc(C)c1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268313359 785407343 /nfs/dbraw/zinc/40/73/43/785407343.db2.gz PRNCXTNLBLPAJL-LLVKDONJSA-N 1 0 346.405 -1.018 20 0 EAADRO Cc1cc(=O)oc(C)c1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268313366 785407661 /nfs/dbraw/zinc/40/76/61/785407661.db2.gz PRNCXTNLBLPAJL-NSHDSACASA-N 1 0 346.405 -1.018 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001268313551 785407772 /nfs/dbraw/zinc/40/77/72/785407772.db2.gz QHOOOZRDLXZTHX-NEPJUHHUSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001268313553 785407101 /nfs/dbraw/zinc/40/71/01/785407101.db2.gz QHOOOZRDLXZTHX-NWDGAFQWSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001268313555 785407280 /nfs/dbraw/zinc/40/72/80/785407280.db2.gz QHOOOZRDLXZTHX-RYUDHWBXSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001268313556 785407640 /nfs/dbraw/zinc/40/76/40/785407640.db2.gz QHOOOZRDLXZTHX-VXGBXAGGSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cncn1)c1ccc2c(n1)OCCO2 ZINC001268313630 785407060 /nfs/dbraw/zinc/40/70/60/785407060.db2.gz RZPSQHHHVPQACZ-LLVKDONJSA-N 1 0 348.363 -1.175 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)c1ccc2c(n1)OCCO2 ZINC001268313631 785407995 /nfs/dbraw/zinc/40/79/95/785407995.db2.gz RZPSQHHHVPQACZ-NSHDSACASA-N 1 0 348.363 -1.175 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCC1=O)c1ccnc2n[nH]nc21 ZINC001268313658 785407937 /nfs/dbraw/zinc/40/79/37/785407937.db2.gz SPIUIQGHJFSMCJ-JTQLQIEISA-N 1 0 347.379 -1.344 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCC1=O)c1ccnc2n[nH]nc21 ZINC001268313659 785407740 /nfs/dbraw/zinc/40/77/40/785407740.db2.gz SPIUIQGHJFSMCJ-SNVBAGLBSA-N 1 0 347.379 -1.344 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001268313714 785407519 /nfs/dbraw/zinc/40/75/19/785407519.db2.gz FVTYKNWDGGWUGE-CHWSQXEVSA-N 1 0 325.365 -1.301 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001268313715 785407462 /nfs/dbraw/zinc/40/74/62/785407462.db2.gz FVTYKNWDGGWUGE-OLZOCXBDSA-N 1 0 325.365 -1.301 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001268313716 785407765 /nfs/dbraw/zinc/40/77/65/785407765.db2.gz FVTYKNWDGGWUGE-QWHCGFSZSA-N 1 0 325.365 -1.301 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001268313717 785407027 /nfs/dbraw/zinc/40/70/27/785407027.db2.gz FVTYKNWDGGWUGE-STQMWFEESA-N 1 0 325.365 -1.301 20 0 EAADRO COc1cnc(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)nc1 ZINC001268313948 785407846 /nfs/dbraw/zinc/40/78/46/785407846.db2.gz VWDPCWSIUJGYLB-LLVKDONJSA-N 1 0 337.380 -1.212 20 0 EAADRO COc1cnc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)nc1 ZINC001268313949 785407211 /nfs/dbraw/zinc/40/72/11/785407211.db2.gz VWDPCWSIUJGYLB-NSHDSACASA-N 1 0 337.380 -1.212 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268314152 785407494 /nfs/dbraw/zinc/40/74/94/785407494.db2.gz XJPZPXDFCMUSLA-NXEZZACHSA-N 1 0 328.369 -2.273 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268314156 785408148 /nfs/dbraw/zinc/40/81/48/785408148.db2.gz XJPZPXDFCMUSLA-UWVGGRQHSA-N 1 0 328.369 -2.273 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268314158 785407885 /nfs/dbraw/zinc/40/78/85/785407885.db2.gz XJPZPXDFCMUSLA-VHSXEESVSA-N 1 0 328.369 -2.273 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268314159 785407559 /nfs/dbraw/zinc/40/75/59/785407559.db2.gz XJPZPXDFCMUSLA-ZJUUUORDSA-N 1 0 328.369 -2.273 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCC1=O)c1ccc2nnnn2c1 ZINC001268314386 785409582 /nfs/dbraw/zinc/40/95/82/785409582.db2.gz LCIBQZVKPGRYJZ-GFCCVEGCSA-N 1 0 347.379 -1.573 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCC1=O)c1ccc2nnnn2c1 ZINC001268314390 785408709 /nfs/dbraw/zinc/40/87/09/785408709.db2.gz LCIBQZVKPGRYJZ-LBPRGKRZSA-N 1 0 347.379 -1.573 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cncn1)c1nnc2ccccc2n1 ZINC001268314433 785409644 /nfs/dbraw/zinc/40/96/44/785409644.db2.gz MAQCRRCJFXMCBX-LLVKDONJSA-N 1 0 342.363 -1.003 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)c1nnc2ccccc2n1 ZINC001268314434 785409554 /nfs/dbraw/zinc/40/95/54/785409554.db2.gz MAQCRRCJFXMCBX-NSHDSACASA-N 1 0 342.363 -1.003 20 0 EAADRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)cc1Cl ZINC001268314448 785408538 /nfs/dbraw/zinc/40/85/38/785408538.db2.gz ZUNVLJQTSOTYGN-SECBINFHSA-N 1 0 344.803 -1.221 20 0 EAADRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)cc1Cl ZINC001268314449 785409208 /nfs/dbraw/zinc/40/92/08/785409208.db2.gz ZUNVLJQTSOTYGN-VIFPVBQESA-N 1 0 344.803 -1.221 20 0 EAADRO O=C(CN1CCCNC1=O)NC[C@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC001268314530 785409295 /nfs/dbraw/zinc/40/92/95/785409295.db2.gz KDICJMBWCIDVJM-CHWSQXEVSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(CN1CCCNC1=O)NC[C@@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC001268314531 785409651 /nfs/dbraw/zinc/40/96/51/785409651.db2.gz KDICJMBWCIDVJM-OLZOCXBDSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(CN1CCCNC1=O)NC[C@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001268314532 785409378 /nfs/dbraw/zinc/40/93/78/785409378.db2.gz KDICJMBWCIDVJM-QWHCGFSZSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(CN1CCCNC1=O)NC[C@@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001268314533 785408908 /nfs/dbraw/zinc/40/89/08/785408908.db2.gz KDICJMBWCIDVJM-STQMWFEESA-N 1 0 328.413 -1.105 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC001268314703 785408852 /nfs/dbraw/zinc/40/88/52/785408852.db2.gz KWQQIIMODSPIEI-CHWSQXEVSA-N 1 0 346.453 -1.000 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC001268314704 785409098 /nfs/dbraw/zinc/40/90/98/785409098.db2.gz KWQQIIMODSPIEI-OLZOCXBDSA-N 1 0 346.453 -1.000 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC001268314706 785408473 /nfs/dbraw/zinc/40/84/73/785408473.db2.gz KWQQIIMODSPIEI-QWHCGFSZSA-N 1 0 346.453 -1.000 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC001268314708 785409587 /nfs/dbraw/zinc/40/95/87/785409587.db2.gz KWQQIIMODSPIEI-STQMWFEESA-N 1 0 346.453 -1.000 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268314794 785409570 /nfs/dbraw/zinc/40/95/70/785409570.db2.gz PLPRMGANKVYTAS-QNWHQSFQSA-N 1 0 349.453 -1.583 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268314798 785408525 /nfs/dbraw/zinc/40/85/25/785408525.db2.gz PLPRMGANKVYTAS-ZDEQEGDKSA-N 1 0 349.453 -1.583 20 0 EAADRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268314935 785408601 /nfs/dbraw/zinc/40/86/01/785408601.db2.gz AXYOZDBWQGNZLG-UPJWGTAASA-N 1 0 328.413 -1.107 20 0 EAADRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268314936 785409349 /nfs/dbraw/zinc/40/93/49/785409349.db2.gz AXYOZDBWQGNZLG-XQQFMLRXSA-N 1 0 328.413 -1.107 20 0 EAADRO Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc2c(c1)nnn2C ZINC001268315017 785408807 /nfs/dbraw/zinc/40/88/07/785408807.db2.gz SDYSAOWYXMYEGT-GFCCVEGCSA-N 1 0 344.379 -1.023 20 0 EAADRO Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)c1cnc2c(c1)nnn2C ZINC001268315019 785409592 /nfs/dbraw/zinc/40/95/92/785409592.db2.gz SDYSAOWYXMYEGT-LBPRGKRZSA-N 1 0 344.379 -1.023 20 0 EAADRO Cc1cncn1CC(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268315072 785409443 /nfs/dbraw/zinc/40/94/43/785409443.db2.gz SQUUSVDRYDXNSK-GFCCVEGCSA-N 1 0 337.380 -1.593 20 0 EAADRO Cc1cncn1CC(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268315073 785408565 /nfs/dbraw/zinc/40/85/65/785408565.db2.gz SQUUSVDRYDXNSK-LBPRGKRZSA-N 1 0 337.380 -1.593 20 0 EAADRO CCOCC1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001268315208 785409510 /nfs/dbraw/zinc/40/95/10/785409510.db2.gz NANNPRWAOOAKIP-GHMZBOCLSA-N 1 0 327.381 -1.325 20 0 EAADRO CCOCC1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001268315212 785408633 /nfs/dbraw/zinc/40/86/33/785408633.db2.gz NANNPRWAOOAKIP-MNOVXSKESA-N 1 0 327.381 -1.325 20 0 EAADRO CCOCC1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001268315213 785409500 /nfs/dbraw/zinc/40/95/00/785409500.db2.gz NANNPRWAOOAKIP-QWRGUYRKSA-N 1 0 327.381 -1.325 20 0 EAADRO CCOCC1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001268315214 785408487 /nfs/dbraw/zinc/40/84/87/785408487.db2.gz NANNPRWAOOAKIP-WDEREUQCSA-N 1 0 327.381 -1.325 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001268315398 785408938 /nfs/dbraw/zinc/40/89/38/785408938.db2.gz BHNFWLPTXNEIDE-GHMZBOCLSA-N 1 0 342.421 -1.579 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001268315401 785409188 /nfs/dbraw/zinc/40/91/88/785409188.db2.gz BHNFWLPTXNEIDE-MNOVXSKESA-N 1 0 342.421 -1.579 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001268315403 785408922 /nfs/dbraw/zinc/40/89/22/785408922.db2.gz BHNFWLPTXNEIDE-QWRGUYRKSA-N 1 0 342.421 -1.579 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001268315405 785409428 /nfs/dbraw/zinc/40/94/28/785409428.db2.gz BHNFWLPTXNEIDE-WDEREUQCSA-N 1 0 342.421 -1.579 20 0 EAADRO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268315733 785409657 /nfs/dbraw/zinc/40/96/57/785409657.db2.gz DQYDRDRPDIUFNX-PSASIEDQSA-N 1 0 339.352 -2.086 20 0 EAADRO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268315736 785409027 /nfs/dbraw/zinc/40/90/27/785409027.db2.gz DQYDRDRPDIUFNX-SCZZXKLOSA-N 1 0 339.352 -2.086 20 0 EAADRO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268315738 785409231 /nfs/dbraw/zinc/40/92/31/785409231.db2.gz DQYDRDRPDIUFNX-WCBMZHEXSA-N 1 0 339.352 -2.086 20 0 EAADRO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268315740 785408696 /nfs/dbraw/zinc/40/86/96/785408696.db2.gz DQYDRDRPDIUFNX-WPRPVWTQSA-N 1 0 339.352 -2.086 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268315866 785409533 /nfs/dbraw/zinc/40/95/33/785409533.db2.gz ZDRIRWLCSJMHLI-RFQIPJPRSA-N 1 0 340.424 -1.107 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268315867 785408591 /nfs/dbraw/zinc/40/85/91/785408591.db2.gz ZDRIRWLCSJMHLI-XDQVBPFNSA-N 1 0 340.424 -1.107 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]CCC(F)(F)F ZINC001268315969 785408753 /nfs/dbraw/zinc/40/87/53/785408753.db2.gz GEEVNNOYSYWDNF-SECBINFHSA-N 1 0 326.319 -1.563 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001268315970 785409413 /nfs/dbraw/zinc/40/94/13/785409413.db2.gz GEEVNNOYSYWDNF-VIFPVBQESA-N 1 0 326.319 -1.563 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001268316017 785409459 /nfs/dbraw/zinc/40/94/59/785409459.db2.gz FPUYRGBFNBFXGK-CHWSQXEVSA-N 1 0 344.437 -1.083 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC001268316041 785409436 /nfs/dbraw/zinc/40/94/36/785409436.db2.gz GZLGRJJDGBAIEM-JTQLQIEISA-N 1 0 325.369 -1.668 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)NC[C@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC001268316042 785409124 /nfs/dbraw/zinc/40/91/24/785409124.db2.gz GZLGRJJDGBAIEM-SNVBAGLBSA-N 1 0 325.369 -1.668 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001268316069 785408501 /nfs/dbraw/zinc/40/85/01/785408501.db2.gz FPUYRGBFNBFXGK-OLZOCXBDSA-N 1 0 344.437 -1.083 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001268316070 785409053 /nfs/dbraw/zinc/40/90/53/785409053.db2.gz FPUYRGBFNBFXGK-QWHCGFSZSA-N 1 0 344.437 -1.083 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001268316071 785408971 /nfs/dbraw/zinc/40/89/71/785408971.db2.gz FPUYRGBFNBFXGK-STQMWFEESA-N 1 0 344.437 -1.083 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O)N1CCCCC1 ZINC001268316078 785409269 /nfs/dbraw/zinc/40/92/69/785409269.db2.gz HEXBNSPUSCSOGU-NEPJUHHUSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O)N1CCCCC1 ZINC001268316083 785408790 /nfs/dbraw/zinc/40/87/90/785408790.db2.gz HEXBNSPUSCSOGU-NWDGAFQWSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O)N1CCCCC1 ZINC001268316084 785409402 /nfs/dbraw/zinc/40/94/02/785409402.db2.gz HEXBNSPUSCSOGU-RYUDHWBXSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O)N1CCCCC1 ZINC001268316085 785408864 /nfs/dbraw/zinc/40/88/64/785408864.db2.gz HEXBNSPUSCSOGU-VXGBXAGGSA-N 1 0 326.397 -1.798 20 0 EAADRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001268316326 785410701 /nfs/dbraw/zinc/41/07/01/785410701.db2.gz JXPBNPVUFIUVFY-NEPJUHHUSA-N 1 0 340.428 -1.104 20 0 EAADRO C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001268316327 785410616 /nfs/dbraw/zinc/41/06/16/785410616.db2.gz JXPBNPVUFIUVFY-NWDGAFQWSA-N 1 0 340.428 -1.104 20 0 EAADRO C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001268316328 785410270 /nfs/dbraw/zinc/41/02/70/785410270.db2.gz JXPBNPVUFIUVFY-RYUDHWBXSA-N 1 0 340.428 -1.104 20 0 EAADRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001268316329 785411050 /nfs/dbraw/zinc/41/10/50/785411050.db2.gz JXPBNPVUFIUVFY-VXGBXAGGSA-N 1 0 340.428 -1.104 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC2=O)c1 ZINC001268316340 785411175 /nfs/dbraw/zinc/41/11/75/785411175.db2.gz JZNRRLROTMMTFE-KBPBESRZSA-N 1 0 348.403 -1.251 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC2=O)c1 ZINC001268316341 785410622 /nfs/dbraw/zinc/41/06/22/785410622.db2.gz JZNRRLROTMMTFE-KGLIPLIRSA-N 1 0 348.403 -1.251 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001268316342 785410113 /nfs/dbraw/zinc/41/01/13/785410113.db2.gz JZNRRLROTMMTFE-UONOGXRCSA-N 1 0 348.403 -1.251 20 0 EAADRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001268316343 785410727 /nfs/dbraw/zinc/41/07/27/785410727.db2.gz JZNRRLROTMMTFE-ZIAGYGMSSA-N 1 0 348.403 -1.251 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)c1cn2c(n1)COCC2 ZINC001268316442 785411009 /nfs/dbraw/zinc/41/10/09/785411009.db2.gz SFGBPCHFVGSUIJ-JTQLQIEISA-N 1 0 346.409 -1.862 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)c1cn2c(n1)COCC2 ZINC001268316443 785410793 /nfs/dbraw/zinc/41/07/93/785410793.db2.gz SFGBPCHFVGSUIJ-SNVBAGLBSA-N 1 0 346.409 -1.862 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1cn2cccnc2n1 ZINC001268316446 785410405 /nfs/dbraw/zinc/41/04/05/785410405.db2.gz SJYLSEIJTFTMQJ-LLVKDONJSA-N 1 0 347.379 -1.565 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1cn2cccnc2n1 ZINC001268316447 785410183 /nfs/dbraw/zinc/41/01/83/785410183.db2.gz SJYLSEIJTFTMQJ-NSHDSACASA-N 1 0 347.379 -1.565 20 0 EAADRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)c1=O ZINC001268316460 785410693 /nfs/dbraw/zinc/41/06/93/785410693.db2.gz SRFVLBKWSCCWBL-JTQLQIEISA-N 1 0 341.372 -3.326 20 0 EAADRO Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)c1=O ZINC001268316461 785410443 /nfs/dbraw/zinc/41/04/43/785410443.db2.gz SRFVLBKWSCCWBL-SNVBAGLBSA-N 1 0 341.372 -3.326 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001268316462 785411056 /nfs/dbraw/zinc/41/10/56/785411056.db2.gz SRSKWUDIEWWKCT-AAEUAGOBSA-N 1 0 344.437 -1.443 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001268316463 785410218 /nfs/dbraw/zinc/41/02/18/785410218.db2.gz SRSKWUDIEWWKCT-DGCLKSJQSA-N 1 0 344.437 -1.443 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001268316464 785410586 /nfs/dbraw/zinc/41/05/86/785410586.db2.gz SRSKWUDIEWWKCT-WCQYABFASA-N 1 0 344.437 -1.443 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001268316465 785410878 /nfs/dbraw/zinc/41/08/78/785410878.db2.gz SRSKWUDIEWWKCT-YPMHNXCESA-N 1 0 344.437 -1.443 20 0 EAADRO Cn1ccc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)cc1=O ZINC001268316480 785411141 /nfs/dbraw/zinc/41/11/41/785411141.db2.gz TUWPFMMHBHGNAB-GFCCVEGCSA-N 1 0 337.380 -1.909 20 0 EAADRO Cn1ccc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)cc1=O ZINC001268316481 785410764 /nfs/dbraw/zinc/41/07/64/785410764.db2.gz TUWPFMMHBHGNAB-LBPRGKRZSA-N 1 0 337.380 -1.909 20 0 EAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCc1ccnn1C)S(C)(=O)=O ZINC001268316482 785410533 /nfs/dbraw/zinc/41/05/33/785410533.db2.gz TUYCTTHYGFPNFK-CMPLNLGQSA-N 1 0 332.426 -1.538 20 0 EAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCc1ccnn1C)S(C)(=O)=O ZINC001268316483 785410780 /nfs/dbraw/zinc/41/07/80/785410780.db2.gz TUYCTTHYGFPNFK-JQWIXIFHSA-N 1 0 332.426 -1.538 20 0 EAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCc1ccnn1C)S(C)(=O)=O ZINC001268316484 785410611 /nfs/dbraw/zinc/41/06/11/785410611.db2.gz TUYCTTHYGFPNFK-PWSUYJOCSA-N 1 0 332.426 -1.538 20 0 EAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]CCc1ccnn1C)S(C)(=O)=O ZINC001268316485 785410132 /nfs/dbraw/zinc/41/01/32/785410132.db2.gz TUYCTTHYGFPNFK-ZYHUDNBSSA-N 1 0 332.426 -1.538 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)cn1 ZINC001268316516 785410707 /nfs/dbraw/zinc/41/07/07/785410707.db2.gz GUJQTLGIQWRWNV-KBPBESRZSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)cn1 ZINC001268316517 785410919 /nfs/dbraw/zinc/41/09/19/785410919.db2.gz GUJQTLGIQWRWNV-KGLIPLIRSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)cn1 ZINC001268316518 785410995 /nfs/dbraw/zinc/41/09/95/785410995.db2.gz GUJQTLGIQWRWNV-UONOGXRCSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)cn1 ZINC001268316519 785410337 /nfs/dbraw/zinc/41/03/37/785410337.db2.gz GUJQTLGIQWRWNV-ZIAGYGMSSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1ccnc1CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268316526 785410320 /nfs/dbraw/zinc/41/03/20/785410320.db2.gz HAABJURNMUSJSS-GHMZBOCLSA-N 1 0 337.380 -1.775 20 0 EAADRO Cn1ccnc1CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268316527 785410744 /nfs/dbraw/zinc/41/07/44/785410744.db2.gz HAABJURNMUSJSS-MNOVXSKESA-N 1 0 337.380 -1.775 20 0 EAADRO Cn1ccnc1CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268316528 785410371 /nfs/dbraw/zinc/41/03/71/785410371.db2.gz HAABJURNMUSJSS-QWRGUYRKSA-N 1 0 337.380 -1.775 20 0 EAADRO Cn1ccnc1CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268316529 785411018 /nfs/dbraw/zinc/41/10/18/785411018.db2.gz HAABJURNMUSJSS-WDEREUQCSA-N 1 0 337.380 -1.775 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn(CCF)c1 ZINC001268316622 785410902 /nfs/dbraw/zinc/41/09/02/785410902.db2.gz UZOPMZAAMHWXGN-GHMZBOCLSA-N 1 0 341.343 -1.662 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cnn(CCF)c1 ZINC001268316629 785410683 /nfs/dbraw/zinc/41/06/83/785410683.db2.gz UZOPMZAAMHWXGN-MNOVXSKESA-N 1 0 341.343 -1.662 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cnn(CCF)c1 ZINC001268316634 785410149 /nfs/dbraw/zinc/41/01/49/785410149.db2.gz UZOPMZAAMHWXGN-QWRGUYRKSA-N 1 0 341.343 -1.662 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn(CCF)c1 ZINC001268316636 785410465 /nfs/dbraw/zinc/41/04/65/785410465.db2.gz UZOPMZAAMHWXGN-WDEREUQCSA-N 1 0 341.343 -1.662 20 0 EAADRO CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001268316649 785410433 /nfs/dbraw/zinc/41/04/33/785410433.db2.gz IJORMGWNJJCFME-GHMZBOCLSA-N 1 0 337.380 -1.051 20 0 EAADRO CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001268316660 785410488 /nfs/dbraw/zinc/41/04/88/785410488.db2.gz IJORMGWNJJCFME-MNOVXSKESA-N 1 0 337.380 -1.051 20 0 EAADRO CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001268316662 785410925 /nfs/dbraw/zinc/41/09/25/785410925.db2.gz IJORMGWNJJCFME-QWRGUYRKSA-N 1 0 337.380 -1.051 20 0 EAADRO CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001268316665 785411106 /nfs/dbraw/zinc/41/11/06/785411106.db2.gz IJORMGWNJJCFME-WDEREUQCSA-N 1 0 337.380 -1.051 20 0 EAADRO Cc1nn(C)c(C)c1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268316680 785410911 /nfs/dbraw/zinc/41/09/11/785410911.db2.gz ILXWLNWPERQTEM-LLVKDONJSA-N 1 0 332.426 -1.238 20 0 EAADRO Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268316704 785410756 /nfs/dbraw/zinc/41/07/56/785410756.db2.gz ILXWLNWPERQTEM-NSHDSACASA-N 1 0 332.426 -1.238 20 0 EAADRO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O)c(C)c1 ZINC001268316730 785410767 /nfs/dbraw/zinc/41/07/67/785410767.db2.gz IONKDEFFUPIYCU-GFCCVEGCSA-N 1 0 344.437 -1.072 20 0 EAADRO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)c(C)c1 ZINC001268316736 785410984 /nfs/dbraw/zinc/41/09/84/785410984.db2.gz IONKDEFFUPIYCU-LBPRGKRZSA-N 1 0 344.437 -1.072 20 0 EAADRO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)sn1 ZINC001268316769 785410870 /nfs/dbraw/zinc/41/08/70/785410870.db2.gz NUFYIFJZALMZQM-PSASIEDQSA-N 1 0 328.394 -1.146 20 0 EAADRO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC2=O)sn1 ZINC001268316775 785410162 /nfs/dbraw/zinc/41/01/62/785410162.db2.gz NUFYIFJZALMZQM-SCZZXKLOSA-N 1 0 328.394 -1.146 20 0 EAADRO COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC2=O)sn1 ZINC001268316845 785410302 /nfs/dbraw/zinc/41/03/02/785410302.db2.gz NUFYIFJZALMZQM-WCBMZHEXSA-N 1 0 328.394 -1.146 20 0 EAADRO COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC2=O)sn1 ZINC001268316848 785408882 /nfs/dbraw/zinc/40/88/82/785408882.db2.gz NUFYIFJZALMZQM-WPRPVWTQSA-N 1 0 328.394 -1.146 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]Cc1nccn1C(F)F)[C@H]1CCNC1=O ZINC001268317071 785408717 /nfs/dbraw/zinc/40/87/17/785408717.db2.gz PDNFSFUDTLOWJM-BDAKNGLRSA-N 1 0 331.323 -1.019 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]Cc1nccn1C(F)F)[C@@H]1CCNC1=O ZINC001268317072 785409133 /nfs/dbraw/zinc/40/91/33/785409133.db2.gz PDNFSFUDTLOWJM-DTWKUNHWSA-N 1 0 331.323 -1.019 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]Cc1nccn1C(F)F)[C@H]1CCNC1=O ZINC001268317073 785408675 /nfs/dbraw/zinc/40/86/75/785408675.db2.gz PDNFSFUDTLOWJM-IUCAKERBSA-N 1 0 331.323 -1.019 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]Cc1nccn1C(F)F)[C@@H]1CCNC1=O ZINC001268317074 785409561 /nfs/dbraw/zinc/40/95/61/785409561.db2.gz PDNFSFUDTLOWJM-RKDXNWHRSA-N 1 0 331.323 -1.019 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001268317285 785409043 /nfs/dbraw/zinc/40/90/43/785409043.db2.gz QFQSCHKOBIGQIB-GHMZBOCLSA-N 1 0 347.437 -1.986 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001268317288 785409304 /nfs/dbraw/zinc/40/93/04/785409304.db2.gz QFQSCHKOBIGQIB-MNOVXSKESA-N 1 0 347.437 -1.986 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001268317291 785409065 /nfs/dbraw/zinc/40/90/65/785409065.db2.gz QFQSCHKOBIGQIB-QWRGUYRKSA-N 1 0 347.437 -1.986 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001268317294 785408844 /nfs/dbraw/zinc/40/88/44/785408844.db2.gz QFQSCHKOBIGQIB-WDEREUQCSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(CN1CCCCC1=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268317344 785408506 /nfs/dbraw/zinc/40/85/06/785408506.db2.gz WXYLOORFSIOAFR-GHMZBOCLSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(CN1CCCCC1=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268317350 785409075 /nfs/dbraw/zinc/40/90/75/785409075.db2.gz WXYLOORFSIOAFR-MNOVXSKESA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(CN1CCCCC1=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268317351 785409107 /nfs/dbraw/zinc/40/91/07/785409107.db2.gz WXYLOORFSIOAFR-QWRGUYRKSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(CN1CCCCC1=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268317352 785408763 /nfs/dbraw/zinc/40/87/63/785408763.db2.gz WXYLOORFSIOAFR-WDEREUQCSA-N 1 0 340.380 -2.129 20 0 EAADRO Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)c1=O ZINC001268317358 785410896 /nfs/dbraw/zinc/41/08/96/785410896.db2.gz XBDPXFZSEOKCQF-LLVKDONJSA-N 1 0 340.384 -2.729 20 0 EAADRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)c1=O ZINC001268317363 785410932 /nfs/dbraw/zinc/41/09/32/785410932.db2.gz XBDPXFZSEOKCQF-NSHDSACASA-N 1 0 340.384 -2.729 20 0 EAADRO COc1nc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)co1 ZINC001268317445 785410980 /nfs/dbraw/zinc/41/09/80/785410980.db2.gz MGTLOPCWNXXUGK-JTQLQIEISA-N 1 0 326.353 -1.014 20 0 EAADRO COc1nc(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)co1 ZINC001268317448 785410539 /nfs/dbraw/zinc/41/05/39/785410539.db2.gz MGTLOPCWNXXUGK-SNVBAGLBSA-N 1 0 326.353 -1.014 20 0 EAADRO Cc1cc(C)nc(C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O)c1 ZINC001268317495 785410814 /nfs/dbraw/zinc/41/08/14/785410814.db2.gz YICTWLVFMSUBPD-GFCCVEGCSA-N 1 0 344.437 -1.072 20 0 EAADRO Cc1cc(C)nc(C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)c1 ZINC001268317497 785410517 /nfs/dbraw/zinc/41/05/17/785410517.db2.gz YICTWLVFMSUBPD-LBPRGKRZSA-N 1 0 344.437 -1.072 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001268317932 785410734 /nfs/dbraw/zinc/41/07/34/785410734.db2.gz SYYKRFNCNCMESO-NEPJUHHUSA-N 1 0 326.397 -1.800 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001268317946 785409003 /nfs/dbraw/zinc/40/90/03/785409003.db2.gz SYYKRFNCNCMESO-NWDGAFQWSA-N 1 0 326.397 -1.800 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001268317948 785409620 /nfs/dbraw/zinc/40/96/20/785409620.db2.gz SYYKRFNCNCMESO-RYUDHWBXSA-N 1 0 326.397 -1.800 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001268317950 785409238 /nfs/dbraw/zinc/40/92/38/785409238.db2.gz SYYKRFNCNCMESO-VXGBXAGGSA-N 1 0 326.397 -1.800 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1csnn1 ZINC001268317960 785410804 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Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001268318184 785410952 /nfs/dbraw/zinc/41/09/52/785410952.db2.gz VQQOEWMOSSVEIM-CHWSQXEVSA-N 1 0 338.412 -1.410 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001268318185 785410557 /nfs/dbraw/zinc/41/05/57/785410557.db2.gz VQQOEWMOSSVEIM-OLZOCXBDSA-N 1 0 338.412 -1.410 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001268318186 785410789 /nfs/dbraw/zinc/41/07/89/785410789.db2.gz VQQOEWMOSSVEIM-QWHCGFSZSA-N 1 0 338.412 -1.410 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001268318187 785410476 /nfs/dbraw/zinc/41/04/76/785410476.db2.gz VQQOEWMOSSVEIM-STQMWFEESA-N 1 0 338.412 -1.410 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]CCc1ccns1 ZINC001268318577 785410294 /nfs/dbraw/zinc/41/02/94/785410294.db2.gz XSVUVDKGHFMAEB-LLVKDONJSA-N 1 0 341.437 -1.816 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]CCc1ccns1 ZINC001268318579 785410721 /nfs/dbraw/zinc/41/07/21/785410721.db2.gz XSVUVDKGHFMAEB-NSHDSACASA-N 1 0 341.437 -1.816 20 0 EAADRO COc1nscc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001268318782 785412478 /nfs/dbraw/zinc/41/24/78/785412478.db2.gz ZVBCCVNKOOFOGH-NXEZZACHSA-N 1 0 328.394 -1.146 20 0 EAADRO COc1nscc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001268318783 785411729 /nfs/dbraw/zinc/41/17/29/785411729.db2.gz ZVBCCVNKOOFOGH-UWVGGRQHSA-N 1 0 328.394 -1.146 20 0 EAADRO COc1nscc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001268318784 785411970 /nfs/dbraw/zinc/41/19/70/785411970.db2.gz ZVBCCVNKOOFOGH-VHSXEESVSA-N 1 0 328.394 -1.146 20 0 EAADRO COc1nscc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001268318785 785412252 /nfs/dbraw/zinc/41/22/52/785412252.db2.gz ZVBCCVNKOOFOGH-ZJUUUORDSA-N 1 0 328.394 -1.146 20 0 EAADRO C=C/C(C)=C\CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268318929 785411747 /nfs/dbraw/zinc/41/17/47/785411747.db2.gz DKMLCXVKGVHGCK-TWEXNZEWSA-N 1 0 338.408 -1.466 20 0 EAADRO C=C/C(C)=C\CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268318938 785412308 /nfs/dbraw/zinc/41/23/08/785412308.db2.gz DKMLCXVKGVHGCK-VEIWZVCTSA-N 1 0 338.408 -1.466 20 0 EAADRO C=C/C(C)=C/CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268318939 785412444 /nfs/dbraw/zinc/41/24/44/785412444.db2.gz DKMLCXVKGVHGCK-VFJIKVCNSA-N 1 0 338.408 -1.466 20 0 EAADRO C=C/C(C)=C/CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268318940 785412365 /nfs/dbraw/zinc/41/23/65/785412365.db2.gz DKMLCXVKGVHGCK-YKAQBRKTSA-N 1 0 338.408 -1.466 20 0 EAADRO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)n1C ZINC001268318942 785412455 /nfs/dbraw/zinc/41/24/55/785412455.db2.gz DLQMDZBMVJUHNY-LLVKDONJSA-N 1 0 332.426 -1.156 20 0 EAADRO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)n1C ZINC001268318948 785412288 /nfs/dbraw/zinc/41/22/88/785412288.db2.gz DLQMDZBMVJUHNY-NSHDSACASA-N 1 0 332.426 -1.156 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)c1csnn1 ZINC001268319141 785412047 /nfs/dbraw/zinc/41/20/47/785412047.db2.gz UYQYLYRMROTCTD-SSDOTTSWSA-N 1 0 328.354 -2.230 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)c1csnn1 ZINC001268319153 785411865 /nfs/dbraw/zinc/41/18/65/785411865.db2.gz UYQYLYRMROTCTD-ZETCQYMHSA-N 1 0 328.354 -2.230 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)CC1)C1CC1 ZINC001268319186 785412513 /nfs/dbraw/zinc/41/25/13/785412513.db2.gz VIODUKMCHDAYFP-CHWSQXEVSA-N 1 0 340.424 -1.504 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)CC1)C1CC1 ZINC001268319188 785412637 /nfs/dbraw/zinc/41/26/37/785412637.db2.gz VIODUKMCHDAYFP-OLZOCXBDSA-N 1 0 340.424 -1.504 20 0 EAADRO O=C(NCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001268319189 785412202 /nfs/dbraw/zinc/41/22/02/785412202.db2.gz VIODUKMCHDAYFP-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO O=C(NCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001268319190 785412038 /nfs/dbraw/zinc/41/20/38/785412038.db2.gz VIODUKMCHDAYFP-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)cc1C ZINC001268319470 785412183 /nfs/dbraw/zinc/41/21/83/785412183.db2.gz YCQBXTNPOVWMND-GFCCVEGCSA-N 1 0 349.391 -1.069 20 0 EAADRO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)cc1C ZINC001268319471 785412681 /nfs/dbraw/zinc/41/26/81/785412681.db2.gz YCQBXTNPOVWMND-LBPRGKRZSA-N 1 0 349.391 -1.069 20 0 EAADRO CC(C)(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268319534 785411658 /nfs/dbraw/zinc/41/16/58/785411658.db2.gz ZUVOEHZVTBAWAB-MNOVXSKESA-N 1 0 349.453 -1.598 20 0 EAADRO CC(C)(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268319535 785412007 /nfs/dbraw/zinc/41/20/07/785412007.db2.gz ZUVOEHZVTBAWAB-QWRGUYRKSA-N 1 0 349.453 -1.598 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268319574 785412642 /nfs/dbraw/zinc/41/26/42/785412642.db2.gz JDYNGFFTKRHKPN-NXEZZACHSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001268319575 785412104 /nfs/dbraw/zinc/41/21/04/785412104.db2.gz JDYNGFFTKRHKPN-VHSXEESVSA-N 1 0 341.368 -2.774 20 0 EAADRO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)n1C ZINC001268319698 785411784 /nfs/dbraw/zinc/41/17/84/785411784.db2.gz KYNBHBRMVGABFK-LLVKDONJSA-N 1 0 347.441 -1.700 20 0 EAADRO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)n1C ZINC001268319699 785412502 /nfs/dbraw/zinc/41/25/02/785412502.db2.gz KYNBHBRMVGABFK-NSHDSACASA-N 1 0 347.441 -1.700 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268319819 785412189 /nfs/dbraw/zinc/41/21/89/785412189.db2.gz MCWAYZHVMAXEBR-NDBYEHHHSA-N 1 0 347.437 -2.019 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268319820 785411766 /nfs/dbraw/zinc/41/17/66/785411766.db2.gz MCWAYZHVMAXEBR-WUHRBBMRSA-N 1 0 347.437 -2.019 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)[nH]1 ZINC001268319926 785412263 /nfs/dbraw/zinc/41/22/63/785412263.db2.gz BUYGZKHKMXPZDL-JTQLQIEISA-N 1 0 338.368 -1.741 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)[nH]1 ZINC001268319927 785412710 /nfs/dbraw/zinc/41/27/10/785412710.db2.gz BUYGZKHKMXPZDL-SNVBAGLBSA-N 1 0 338.368 -1.741 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1csc(=O)[nH]1 ZINC001268320093 785412031 /nfs/dbraw/zinc/41/20/31/785412031.db2.gz NRDOMIACOXLMRX-MRVPVSSYSA-N 1 0 329.382 -1.446 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1csc(=O)[nH]1 ZINC001268320094 785412160 /nfs/dbraw/zinc/41/21/60/785412160.db2.gz NRDOMIACOXLMRX-QMMMGPOBSA-N 1 0 329.382 -1.446 20 0 EAADRO Cn1nnc2cc(C[NH2+]C[C@@H](O)CNC(=O)C3(C(N)=O)CC3)ccc21 ZINC001268320135 785412250 /nfs/dbraw/zinc/41/22/50/785412250.db2.gz AOMOJDFLKDTQPV-LLVKDONJSA-N 1 0 346.391 -1.200 20 0 EAADRO Cn1nnc2cc(C[NH2+]C[C@H](O)CNC(=O)C3(C(N)=O)CC3)ccc21 ZINC001268320136 785412332 /nfs/dbraw/zinc/41/23/32/785412332.db2.gz AOMOJDFLKDTQPV-NSHDSACASA-N 1 0 346.391 -1.200 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001268320279 785412521 /nfs/dbraw/zinc/41/25/21/785412521.db2.gz GHXOBKJTVUURIF-OUAUKWLOSA-N 1 0 335.426 -2.001 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001268320282 785412583 /nfs/dbraw/zinc/41/25/83/785412583.db2.gz GHXOBKJTVUURIF-VWYCJHECSA-N 1 0 335.426 -2.001 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCc2ccns2)O1 ZINC001268320362 785411984 /nfs/dbraw/zinc/41/19/84/785411984.db2.gz AJSBLYJPOFNNSI-ADEWGFFLSA-N 1 0 342.421 -1.215 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCc2ccns2)O1 ZINC001268320363 785411950 /nfs/dbraw/zinc/41/19/50/785411950.db2.gz AJSBLYJPOFNNSI-ZMLRMANQSA-N 1 0 342.421 -1.215 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]CCn2cc(Cl)cn2)CC1 ZINC001268320512 785412303 /nfs/dbraw/zinc/41/23/03/785412303.db2.gz CHZVSUHDKRBRIP-JTQLQIEISA-N 1 0 329.788 -1.131 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H](O)C[NH2+]CCn2cc(Cl)cn2)CC1 ZINC001268320513 785414060 /nfs/dbraw/zinc/41/40/60/785414060.db2.gz CHZVSUHDKRBRIP-SNVBAGLBSA-N 1 0 329.788 -1.131 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)Nc1c(F)cccc1F ZINC001268320715 785414152 /nfs/dbraw/zinc/41/41/52/785414152.db2.gz DQIMAYTXXSVYCF-HTQZYQBOSA-N 1 0 344.318 -1.156 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)Nc1c(F)cccc1F ZINC001268320719 785413540 /nfs/dbraw/zinc/41/35/40/785413540.db2.gz DQIMAYTXXSVYCF-JGVFFNPUSA-N 1 0 344.318 -1.156 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)Nc1c(F)cccc1F ZINC001268320720 785413798 /nfs/dbraw/zinc/41/37/98/785413798.db2.gz DQIMAYTXXSVYCF-SFYZADRCSA-N 1 0 344.318 -1.156 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)Nc1c(F)cccc1F ZINC001268320721 785413526 /nfs/dbraw/zinc/41/35/26/785413526.db2.gz DQIMAYTXXSVYCF-YUMQZZPRSA-N 1 0 344.318 -1.156 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001268320933 785412653 /nfs/dbraw/zinc/41/26/53/785412653.db2.gz QEAXYLXMNASYAO-OLZOCXBDSA-N 1 0 338.412 -1.418 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001268320950 785412573 /nfs/dbraw/zinc/41/25/73/785412573.db2.gz QEAXYLXMNASYAO-STQMWFEESA-N 1 0 338.412 -1.418 20 0 EAADRO CN(Cc1ccsc1)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O ZINC001268321007 785412318 /nfs/dbraw/zinc/41/23/18/785412318.db2.gz FJQDPOWLQAXCAM-JTQLQIEISA-N 1 0 328.394 -1.742 20 0 EAADRO CN(Cc1ccsc1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O ZINC001268321008 785412406 /nfs/dbraw/zinc/41/24/06/785412406.db2.gz FJQDPOWLQAXCAM-SNVBAGLBSA-N 1 0 328.394 -1.742 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC001268321032 785412561 /nfs/dbraw/zinc/41/25/61/785412561.db2.gz FOPLAUHLSRCKJK-LLVKDONJSA-N 1 0 326.328 -2.006 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC001268321045 785412491 /nfs/dbraw/zinc/41/24/91/785412491.db2.gz FOPLAUHLSRCKJK-NSHDSACASA-N 1 0 326.328 -2.006 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC001268321128 785412222 /nfs/dbraw/zinc/41/22/22/785412222.db2.gz RHIOAVJTOUYQDK-NEPJUHHUSA-N 1 0 337.380 -1.470 20 0 EAADRO COc1nccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C2=O)n1 ZINC001268321134 785412693 /nfs/dbraw/zinc/41/26/93/785412693.db2.gz RHIOAVJTOUYQDK-NWDGAFQWSA-N 1 0 337.380 -1.470 20 0 EAADRO COc1nccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC001268321139 785412114 /nfs/dbraw/zinc/41/21/14/785412114.db2.gz RHIOAVJTOUYQDK-RYUDHWBXSA-N 1 0 337.380 -1.470 20 0 EAADRO COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C2=O)n1 ZINC001268321142 785412621 /nfs/dbraw/zinc/41/26/21/785412621.db2.gz RHIOAVJTOUYQDK-VXGBXAGGSA-N 1 0 337.380 -1.470 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268321144 785411720 /nfs/dbraw/zinc/41/17/20/785411720.db2.gz RHYFLQVPGKUXQO-GHMZBOCLSA-N 1 0 340.380 -2.177 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268321147 785412718 /nfs/dbraw/zinc/41/27/18/785412718.db2.gz RHYFLQVPGKUXQO-WDEREUQCSA-N 1 0 340.380 -2.177 20 0 EAADRO O=C(CCc1cncs1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268321225 785412020 /nfs/dbraw/zinc/41/20/20/785412020.db2.gz LUBWNTROYANHIT-GXSJLCMTSA-N 1 0 340.405 -1.052 20 0 EAADRO O=C(CCc1cncs1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268321228 785411838 /nfs/dbraw/zinc/41/18/38/785411838.db2.gz LUBWNTROYANHIT-KOLCDFICSA-N 1 0 340.405 -1.052 20 0 EAADRO O=C(CCc1cncs1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268321229 785412664 /nfs/dbraw/zinc/41/26/64/785412664.db2.gz LUBWNTROYANHIT-MWLCHTKSSA-N 1 0 340.405 -1.052 20 0 EAADRO O=C(CCc1cncs1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268321230 785412089 /nfs/dbraw/zinc/41/20/89/785412089.db2.gz LUBWNTROYANHIT-ONGXEEELSA-N 1 0 340.405 -1.052 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]Cc1cccc(Cl)n1)[C@H]1CNC(=O)N1 ZINC001268321605 785412239 /nfs/dbraw/zinc/41/22/39/785412239.db2.gz IVRFPINZOWXIDD-NXEZZACHSA-N 1 0 327.772 -1.017 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cccc(Cl)n1)[C@@H]1CNC(=O)N1 ZINC001268321612 785412295 /nfs/dbraw/zinc/41/22/95/785412295.db2.gz IVRFPINZOWXIDD-UWVGGRQHSA-N 1 0 327.772 -1.017 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cccc(Cl)n1)[C@H]1CNC(=O)N1 ZINC001268321613 785411888 /nfs/dbraw/zinc/41/18/88/785411888.db2.gz IVRFPINZOWXIDD-VHSXEESVSA-N 1 0 327.772 -1.017 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]Cc1cccc(Cl)n1)[C@@H]1CNC(=O)N1 ZINC001268321614 785412462 /nfs/dbraw/zinc/41/24/62/785412462.db2.gz IVRFPINZOWXIDD-ZJUUUORDSA-N 1 0 327.772 -1.017 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001268321722 785412597 /nfs/dbraw/zinc/41/25/97/785412597.db2.gz JGZOJJIZEUODJQ-GHMZBOCLSA-N 1 0 329.328 -1.883 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001268321752 785412127 /nfs/dbraw/zinc/41/21/27/785412127.db2.gz JGZOJJIZEUODJQ-MNOVXSKESA-N 1 0 329.328 -1.883 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001268321753 785412082 /nfs/dbraw/zinc/41/20/82/785412082.db2.gz JGZOJJIZEUODJQ-QWRGUYRKSA-N 1 0 329.328 -1.883 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001268321754 785412555 /nfs/dbraw/zinc/41/25/55/785412555.db2.gz JGZOJJIZEUODJQ-WDEREUQCSA-N 1 0 329.328 -1.883 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H](O)C[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001268321755 785412419 /nfs/dbraw/zinc/41/24/19/785412419.db2.gz JKPIFEVPOGCUHY-LLVKDONJSA-N 1 0 347.437 -1.857 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001268321756 785412437 /nfs/dbraw/zinc/41/24/37/785412437.db2.gz JKPIFEVPOGCUHY-NSHDSACASA-N 1 0 347.437 -1.857 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CC(F)(F)C(F)F ZINC001268322002 785411813 /nfs/dbraw/zinc/41/18/13/785411813.db2.gz PFKNAXNCZALEMQ-LURJTMIESA-N 1 0 346.281 -1.201 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC(F)(F)C(F)F ZINC001268322014 785412353 /nfs/dbraw/zinc/41/23/53/785412353.db2.gz PFKNAXNCZALEMQ-ZCFIWIBFSA-N 1 0 346.281 -1.201 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)[nH]1 ZINC001268322200 785413404 /nfs/dbraw/zinc/41/34/04/785413404.db2.gz QTMUAWQDRRHDHX-LLVKDONJSA-N 1 0 347.441 -1.402 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)[nH]1 ZINC001268322201 785413470 /nfs/dbraw/zinc/41/34/70/785413470.db2.gz QTMUAWQDRRHDHX-NSHDSACASA-N 1 0 347.441 -1.402 20 0 EAADRO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)c(=O)[nH]1 ZINC001268322221 785411672 /nfs/dbraw/zinc/41/16/72/785411672.db2.gz CULMPSAZTKYZRC-LLVKDONJSA-N 1 0 337.380 -1.199 20 0 EAADRO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)c(=O)[nH]1 ZINC001268322224 785412348 /nfs/dbraw/zinc/41/23/48/785412348.db2.gz CULMPSAZTKYZRC-NSHDSACASA-N 1 0 337.380 -1.199 20 0 EAADRO COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C2=O)on1 ZINC001268322545 785414128 /nfs/dbraw/zinc/41/41/28/785414128.db2.gz XSXFFCHJHBYSRD-GXSJLCMTSA-N 1 0 326.353 -1.272 20 0 EAADRO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)on1 ZINC001268322548 785414236 /nfs/dbraw/zinc/41/42/36/785414236.db2.gz XSXFFCHJHBYSRD-KOLCDFICSA-N 1 0 326.353 -1.272 20 0 EAADRO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C2=O)on1 ZINC001268322549 785413986 /nfs/dbraw/zinc/41/39/86/785413986.db2.gz XSXFFCHJHBYSRD-MWLCHTKSSA-N 1 0 326.353 -1.272 20 0 EAADRO COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)on1 ZINC001268322550 785413123 /nfs/dbraw/zinc/41/31/23/785413123.db2.gz XSXFFCHJHBYSRD-ONGXEEELSA-N 1 0 326.353 -1.272 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001268322591 785413724 /nfs/dbraw/zinc/41/37/24/785413724.db2.gz YBKRZRTZKVWAGQ-CHWSQXEVSA-N 1 0 340.424 -1.600 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268322594 785413944 /nfs/dbraw/zinc/41/39/44/785413944.db2.gz YBKRZRTZKVWAGQ-OLZOCXBDSA-N 1 0 340.424 -1.600 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001268322596 785413189 /nfs/dbraw/zinc/41/31/89/785413189.db2.gz YBKRZRTZKVWAGQ-QWHCGFSZSA-N 1 0 340.424 -1.600 20 0 EAADRO CN(CC1CC1)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268322598 785413331 /nfs/dbraw/zinc/41/33/31/785413331.db2.gz YBKRZRTZKVWAGQ-STQMWFEESA-N 1 0 340.424 -1.600 20 0 EAADRO C[C@@H](F)CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268322866 785413443 /nfs/dbraw/zinc/41/34/43/785413443.db2.gz FUOGDERZCQSFKK-NXEZZACHSA-N 1 0 330.360 -1.488 20 0 EAADRO C[C@H](F)CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268322867 785414076 /nfs/dbraw/zinc/41/40/76/785414076.db2.gz FUOGDERZCQSFKK-UWVGGRQHSA-N 1 0 330.360 -1.488 20 0 EAADRO C[C@H](F)CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268322868 785414138 /nfs/dbraw/zinc/41/41/38/785414138.db2.gz FUOGDERZCQSFKK-VHSXEESVSA-N 1 0 330.360 -1.488 20 0 EAADRO C[C@@H](F)CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268322869 785413895 /nfs/dbraw/zinc/41/38/95/785413895.db2.gz FUOGDERZCQSFKK-ZJUUUORDSA-N 1 0 330.360 -1.488 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCCc1cccs1 ZINC001268323182 785413286 /nfs/dbraw/zinc/41/32/86/785413286.db2.gz NYYAAOMCXFYAOY-SECBINFHSA-N 1 0 328.394 -2.041 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCCc1cccs1 ZINC001268323183 785414120 /nfs/dbraw/zinc/41/41/20/785414120.db2.gz NYYAAOMCXFYAOY-VIFPVBQESA-N 1 0 328.394 -2.041 20 0 EAADRO COc1c(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)c(C)nn1C ZINC001268323231 785414079 /nfs/dbraw/zinc/41/40/79/785414079.db2.gz HFTDEHISAPLKQC-JTQLQIEISA-N 1 0 348.425 -1.538 20 0 EAADRO COc1c(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)c(C)nn1C ZINC001268323233 785413319 /nfs/dbraw/zinc/41/33/19/785413319.db2.gz HFTDEHISAPLKQC-SNVBAGLBSA-N 1 0 348.425 -1.538 20 0 EAADRO O=C(Cc1cscn1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268323418 785413854 /nfs/dbraw/zinc/41/38/54/785413854.db2.gz IKTHEEVTDPPGSS-LLVKDONJSA-N 1 0 327.410 -1.223 20 0 EAADRO O=C(Cc1cscn1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268323427 785414182 /nfs/dbraw/zinc/41/41/82/785414182.db2.gz IKTHEEVTDPPGSS-NSHDSACASA-N 1 0 327.410 -1.223 20 0 EAADRO CCn1cc(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)c(C)n1 ZINC001268323455 785413932 /nfs/dbraw/zinc/41/39/32/785413932.db2.gz IPGOUICQLUTPPK-LLVKDONJSA-N 1 0 332.426 -1.064 20 0 EAADRO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)c(C)n1 ZINC001268323458 785413377 /nfs/dbraw/zinc/41/33/77/785413377.db2.gz IPGOUICQLUTPPK-NSHDSACASA-N 1 0 332.426 -1.064 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCNC(=O)C1CC1)c1cnc2cccnn21 ZINC001268323470 785413451 /nfs/dbraw/zinc/41/34/51/785413451.db2.gz IUIAISHIEMBPKN-GFCCVEGCSA-N 1 0 346.391 -1.064 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCNC(=O)C1CC1)c1cnc2cccnn21 ZINC001268323472 785413712 /nfs/dbraw/zinc/41/37/12/785413712.db2.gz IUIAISHIEMBPKN-LBPRGKRZSA-N 1 0 346.391 -1.064 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001268323605 785414009 /nfs/dbraw/zinc/41/40/09/785414009.db2.gz PLFXXWOVEBBSGP-NXEZZACHSA-N 1 0 333.410 -2.247 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001268323606 785414071 /nfs/dbraw/zinc/41/40/71/785414071.db2.gz PLFXXWOVEBBSGP-UWVGGRQHSA-N 1 0 333.410 -2.247 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001268323607 785414022 /nfs/dbraw/zinc/41/40/22/785414022.db2.gz PLFXXWOVEBBSGP-VHSXEESVSA-N 1 0 333.410 -2.247 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001268323608 785413181 /nfs/dbraw/zinc/41/31/81/785413181.db2.gz PLFXXWOVEBBSGP-ZJUUUORDSA-N 1 0 333.410 -2.247 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001268323609 785413666 /nfs/dbraw/zinc/41/36/66/785413666.db2.gz PLIAFLAUIWPFJA-GXTWGEPZSA-N 1 0 348.403 -1.299 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001268323610 785413957 /nfs/dbraw/zinc/41/39/57/785413957.db2.gz PLIAFLAUIWPFJA-JSGCOSHPSA-N 1 0 348.403 -1.299 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001268323611 785413960 /nfs/dbraw/zinc/41/39/60/785413960.db2.gz PLIAFLAUIWPFJA-OCCSQVGLSA-N 1 0 348.403 -1.299 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001268323612 785414202 /nfs/dbraw/zinc/41/42/02/785414202.db2.gz PLIAFLAUIWPFJA-TZMCWYRMSA-N 1 0 348.403 -1.299 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC001268323872 785414162 /nfs/dbraw/zinc/41/41/62/785414162.db2.gz PZDZZBWMEVBQMH-CYBMUJFWSA-N 1 0 348.403 -1.266 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC001268323873 785413871 /nfs/dbraw/zinc/41/38/71/785413871.db2.gz PZDZZBWMEVBQMH-ZDUSSCGKSA-N 1 0 348.403 -1.266 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)N(C)C1CCCCC1 ZINC001268323884 785413829 /nfs/dbraw/zinc/41/38/29/785413829.db2.gz QLYILBQXXRXYEO-CMPLNLGQSA-N 1 0 328.413 -1.282 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)N(C)C1CCCCC1 ZINC001268323885 785413159 /nfs/dbraw/zinc/41/31/59/785413159.db2.gz QLYILBQXXRXYEO-JQWIXIFHSA-N 1 0 328.413 -1.282 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)N(C)C1CCCCC1 ZINC001268323886 785413841 /nfs/dbraw/zinc/41/38/41/785413841.db2.gz QLYILBQXXRXYEO-PWSUYJOCSA-N 1 0 328.413 -1.282 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)N(C)C1CCCCC1 ZINC001268323887 785413275 /nfs/dbraw/zinc/41/32/75/785413275.db2.gz QLYILBQXXRXYEO-ZYHUDNBSSA-N 1 0 328.413 -1.282 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)CCNC1=O ZINC001268324018 785413579 /nfs/dbraw/zinc/41/35/79/785413579.db2.gz QPMPXUJZHPHXSD-BLLLJJGKSA-N 1 0 340.424 -1.362 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)CCNC1=O ZINC001268324020 785413813 /nfs/dbraw/zinc/41/38/13/785413813.db2.gz QPMPXUJZHPHXSD-LRDDRELGSA-N 1 0 340.424 -1.362 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)CCNC1=O ZINC001268324021 785414106 /nfs/dbraw/zinc/41/41/06/785414106.db2.gz QPMPXUJZHPHXSD-MLGOLLRUSA-N 1 0 340.424 -1.362 20 0 EAADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)CCNC1=O ZINC001268324022 785413611 /nfs/dbraw/zinc/41/36/11/785413611.db2.gz QPMPXUJZHPHXSD-WBMJQRKESA-N 1 0 340.424 -1.362 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001268324028 785413223 /nfs/dbraw/zinc/41/32/23/785413223.db2.gz QREQACGPWDDSML-BLLLJJGKSA-N 1 0 340.424 -1.410 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001268324033 785413901 /nfs/dbraw/zinc/41/39/01/785413901.db2.gz QREQACGPWDDSML-LRDDRELGSA-N 1 0 340.424 -1.410 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001268324035 785413257 /nfs/dbraw/zinc/41/32/57/785413257.db2.gz QREQACGPWDDSML-MLGOLLRUSA-N 1 0 340.424 -1.410 20 0 EAADRO CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001268324036 785413145 /nfs/dbraw/zinc/41/31/45/785413145.db2.gz QREQACGPWDDSML-WBMJQRKESA-N 1 0 340.424 -1.410 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001268324155 785413645 /nfs/dbraw/zinc/41/36/45/785413645.db2.gz MONAFQNIYNJWBB-CYBMUJFWSA-N 1 0 340.424 -1.456 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001268324156 785414097 /nfs/dbraw/zinc/41/40/97/785414097.db2.gz MONAFQNIYNJWBB-ZDUSSCGKSA-N 1 0 340.424 -1.456 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001268324340 785413629 /nfs/dbraw/zinc/41/36/29/785413629.db2.gz UKKWLEWHKJRBOP-CMPLNLGQSA-N 1 0 328.413 -1.377 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001268324347 785413388 /nfs/dbraw/zinc/41/33/88/785413388.db2.gz UKKWLEWHKJRBOP-JQWIXIFHSA-N 1 0 328.413 -1.377 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001268324349 785414037 /nfs/dbraw/zinc/41/40/37/785414037.db2.gz UKKWLEWHKJRBOP-PWSUYJOCSA-N 1 0 328.413 -1.377 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001268324352 785413594 /nfs/dbraw/zinc/41/35/94/785413594.db2.gz UKKWLEWHKJRBOP-ZYHUDNBSSA-N 1 0 328.413 -1.377 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001268324362 785414185 /nfs/dbraw/zinc/41/41/85/785414185.db2.gz NJYFTPMTICNQQL-JTQLQIEISA-N 1 0 338.817 -1.352 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001268324367 785414228 /nfs/dbraw/zinc/41/42/28/785414228.db2.gz NJYFTPMTICNQQL-SNVBAGLBSA-N 1 0 338.817 -1.352 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cccn1)C1CCS(=O)(=O)CC1 ZINC001268324427 785413463 /nfs/dbraw/zinc/41/34/63/785413463.db2.gz NYASXUQKMMMFMU-CYBMUJFWSA-N 1 0 344.437 -1.225 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cccn1)C1CCS(=O)(=O)CC1 ZINC001268324432 785413554 /nfs/dbraw/zinc/41/35/54/785413554.db2.gz NYASXUQKMMMFMU-ZDUSSCGKSA-N 1 0 344.437 -1.225 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)CC1 ZINC001268324434 785413174 /nfs/dbraw/zinc/41/31/74/785413174.db2.gz NZCDHWFOECWUOE-CYBMUJFWSA-N 1 0 338.412 -1.397 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)CC1 ZINC001268324435 785414114 /nfs/dbraw/zinc/41/41/14/785414114.db2.gz NZCDHWFOECWUOE-ZDUSSCGKSA-N 1 0 338.412 -1.397 20 0 EAADRO Cn1cc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)[nH]c1=O ZINC001268324578 785413909 /nfs/dbraw/zinc/41/39/09/785413909.db2.gz UJEVEEIODMAQQY-SECBINFHSA-N 1 0 326.357 -2.169 20 0 EAADRO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)[nH]c1=O ZINC001268324579 785413432 /nfs/dbraw/zinc/41/34/32/785413432.db2.gz UJEVEEIODMAQQY-VIFPVBQESA-N 1 0 326.357 -2.169 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)CCNC1=O ZINC001268324624 785413365 /nfs/dbraw/zinc/41/33/65/785413365.db2.gz VNXREPRMHNOSPU-GWCFXTLKSA-N 1 0 335.426 -1.986 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)CCNC1=O ZINC001268324625 785413420 /nfs/dbraw/zinc/41/34/20/785413420.db2.gz VNXREPRMHNOSPU-GXFFZTMASA-N 1 0 335.426 -1.986 20 0 EAADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)CCNC1=O ZINC001268324626 785414017 /nfs/dbraw/zinc/41/40/17/785414017.db2.gz VNXREPRMHNOSPU-MFKMUULPSA-N 1 0 335.426 -1.986 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)CCNC1=O ZINC001268324627 785413965 /nfs/dbraw/zinc/41/39/65/785413965.db2.gz VNXREPRMHNOSPU-ZWNOBZJWSA-N 1 0 335.426 -1.986 20 0 EAADRO CN(C)c1cc(C[NH2+]C[C@@H](O)CNC(=O)C2(C(N)=O)CC2)ccn1 ZINC001268324779 785413215 /nfs/dbraw/zinc/41/32/15/785413215.db2.gz XLVJVTLKOWYMGX-GFCCVEGCSA-N 1 0 335.408 -1.020 20 0 EAADRO CN(C)c1cc(C[NH2+]C[C@H](O)CNC(=O)C2(C(N)=O)CC2)ccn1 ZINC001268324784 785413775 /nfs/dbraw/zinc/41/37/75/785413775.db2.gz XLVJVTLKOWYMGX-LBPRGKRZSA-N 1 0 335.408 -1.020 20 0 EAADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)S(C)(=O)=O ZINC001268324822 785413976 /nfs/dbraw/zinc/41/39/76/785413976.db2.gz QVADLWIYBNCPMN-SECBINFHSA-N 1 0 344.455 -2.079 20 0 EAADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)S(C)(=O)=O ZINC001268324824 785413513 /nfs/dbraw/zinc/41/35/13/785413513.db2.gz QVADLWIYBNCPMN-VIFPVBQESA-N 1 0 344.455 -2.079 20 0 EAADRO Cn1c(=O)cccc1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268324981 785414581 /nfs/dbraw/zinc/41/45/81/785414581.db2.gz WXTGOHVFDSGPKD-LLVKDONJSA-N 1 0 337.380 -1.909 20 0 EAADRO Cn1c(=O)cccc1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268324982 785415244 /nfs/dbraw/zinc/41/52/44/785415244.db2.gz WXTGOHVFDSGPKD-NSHDSACASA-N 1 0 337.380 -1.909 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)CC1 ZINC001268325087 785415515 /nfs/dbraw/zinc/41/55/15/785415515.db2.gz RJADSJKOUSZWRG-CYBMUJFWSA-N 1 0 340.424 -1.410 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)CC1 ZINC001268325089 785415148 /nfs/dbraw/zinc/41/51/48/785415148.db2.gz RJADSJKOUSZWRG-ZDUSSCGKSA-N 1 0 340.424 -1.410 20 0 EAADRO CC[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268325090 785415159 /nfs/dbraw/zinc/41/51/59/785415159.db2.gz RJBJXAPXQTUQSZ-NXEZZACHSA-N 1 0 328.369 -1.480 20 0 EAADRO CC[C@H](C)C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268325091 785414738 /nfs/dbraw/zinc/41/47/38/785414738.db2.gz RJBJXAPXQTUQSZ-UWVGGRQHSA-N 1 0 328.369 -1.480 20 0 EAADRO CC[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268325092 785415375 /nfs/dbraw/zinc/41/53/75/785415375.db2.gz RJBJXAPXQTUQSZ-VHSXEESVSA-N 1 0 328.369 -1.480 20 0 EAADRO CC[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268325093 785415009 /nfs/dbraw/zinc/41/50/09/785415009.db2.gz RJBJXAPXQTUQSZ-ZJUUUORDSA-N 1 0 328.369 -1.480 20 0 EAADRO CC(C)(C)CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325152 785414193 /nfs/dbraw/zinc/41/41/93/785414193.db2.gz YNKWKCHDEMQEJX-GHMZBOCLSA-N 1 0 328.413 -1.425 20 0 EAADRO CC(C)(C)CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325153 785413782 /nfs/dbraw/zinc/41/37/82/785413782.db2.gz YNKWKCHDEMQEJX-MNOVXSKESA-N 1 0 328.413 -1.425 20 0 EAADRO CC(C)(C)CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325154 785413249 /nfs/dbraw/zinc/41/32/49/785413249.db2.gz YNKWKCHDEMQEJX-QWRGUYRKSA-N 1 0 328.413 -1.425 20 0 EAADRO CC(C)(C)CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325155 785413201 /nfs/dbraw/zinc/41/32/01/785413201.db2.gz YNKWKCHDEMQEJX-WDEREUQCSA-N 1 0 328.413 -1.425 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)ccn1 ZINC001268325274 785415115 /nfs/dbraw/zinc/41/51/15/785415115.db2.gz CPPWRGRKMZRFAX-GFCCVEGCSA-N 1 0 335.364 -1.378 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)ccn1 ZINC001268325275 785415241 /nfs/dbraw/zinc/41/52/41/785415241.db2.gz CPPWRGRKMZRFAX-LBPRGKRZSA-N 1 0 335.364 -1.378 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCC1CCOCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001268325449 785415135 /nfs/dbraw/zinc/41/51/35/785415135.db2.gz SGIWHFNQSHGUDD-NEPJUHHUSA-N 1 0 342.396 -1.532 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCC1CCOCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001268325452 785414681 /nfs/dbraw/zinc/41/46/81/785414681.db2.gz SGIWHFNQSHGUDD-RYUDHWBXSA-N 1 0 342.396 -1.532 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nc3ncccn3n2)cn1 ZINC001268325723 785414568 /nfs/dbraw/zinc/41/45/68/785414568.db2.gz HAGBRKZBZQGGMT-LLVKDONJSA-N 1 0 330.352 -1.262 20 0 EAADRO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2nc3ncccn3n2)cn1 ZINC001268325724 785415524 /nfs/dbraw/zinc/41/55/24/785415524.db2.gz HAGBRKZBZQGGMT-NSHDSACASA-N 1 0 330.352 -1.262 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001268325826 785415207 /nfs/dbraw/zinc/41/52/07/785415207.db2.gz BBVZMTYECAHNSS-NEPJUHHUSA-N 1 0 342.440 -1.165 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001268325827 785415399 /nfs/dbraw/zinc/41/53/99/785415399.db2.gz BBVZMTYECAHNSS-NWDGAFQWSA-N 1 0 342.440 -1.165 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001268325828 785415350 /nfs/dbraw/zinc/41/53/50/785415350.db2.gz BBVZMTYECAHNSS-RYUDHWBXSA-N 1 0 342.440 -1.165 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001268325829 785415246 /nfs/dbraw/zinc/41/52/46/785415246.db2.gz BBVZMTYECAHNSS-VXGBXAGGSA-N 1 0 342.440 -1.165 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)NCC1CC1 ZINC001268326001 785414634 /nfs/dbraw/zinc/41/46/34/785414634.db2.gz IBXFJHYNWGEGGO-NEPJUHHUSA-N 1 0 336.396 -1.642 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)NCC1CC1 ZINC001268326005 785415186 /nfs/dbraw/zinc/41/51/86/785415186.db2.gz IBXFJHYNWGEGGO-NWDGAFQWSA-N 1 0 336.396 -1.642 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)NCC1CC1 ZINC001268326007 785415451 /nfs/dbraw/zinc/41/54/51/785415451.db2.gz IBXFJHYNWGEGGO-RYUDHWBXSA-N 1 0 336.396 -1.642 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)NCC1CC1 ZINC001268326008 785414885 /nfs/dbraw/zinc/41/48/85/785414885.db2.gz IBXFJHYNWGEGGO-VXGBXAGGSA-N 1 0 336.396 -1.642 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC(C)(C)C)CC1 ZINC001268326474 785415609 /nfs/dbraw/zinc/41/56/09/785415609.db2.gz FGQCRMONZCAVQI-GHMZBOCLSA-N 1 0 342.440 -1.118 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC(C)(C)C)CC1 ZINC001268326480 785414652 /nfs/dbraw/zinc/41/46/52/785414652.db2.gz FGQCRMONZCAVQI-MNOVXSKESA-N 1 0 342.440 -1.118 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC001268326481 785415385 /nfs/dbraw/zinc/41/53/85/785415385.db2.gz FGQCRMONZCAVQI-QWRGUYRKSA-N 1 0 342.440 -1.118 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC001268326482 785414759 /nfs/dbraw/zinc/41/47/59/785414759.db2.gz FGQCRMONZCAVQI-WDEREUQCSA-N 1 0 342.440 -1.118 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1cccnn1 ZINC001268326676 785415123 /nfs/dbraw/zinc/41/51/23/785415123.db2.gz MOBWMGOWHOTVBZ-LLVKDONJSA-N 1 0 343.409 -1.808 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1cccnn1 ZINC001268326677 785415057 /nfs/dbraw/zinc/41/50/57/785415057.db2.gz MOBWMGOWHOTVBZ-NSHDSACASA-N 1 0 343.409 -1.808 20 0 EAADRO Cc1cc(C)n(CC(=O)NC[C@H](O)C[NH2+]CCn2cncn2)c(=O)n1 ZINC001268326729 785414646 /nfs/dbraw/zinc/41/46/46/785414646.db2.gz NNNVAQUYYVUHNT-CYBMUJFWSA-N 1 0 349.395 -1.781 20 0 EAADRO Cc1cc(C)n(CC(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)c(=O)n1 ZINC001268326733 785415373 /nfs/dbraw/zinc/41/53/73/785415373.db2.gz NNNVAQUYYVUHNT-ZDUSSCGKSA-N 1 0 349.395 -1.781 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001268326778 785414620 /nfs/dbraw/zinc/41/46/20/785414620.db2.gz GEEVAXXZHZUFCJ-CMPLNLGQSA-N 1 0 334.376 -1.011 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001268326780 785415103 /nfs/dbraw/zinc/41/51/03/785415103.db2.gz GEEVAXXZHZUFCJ-JQWIXIFHSA-N 1 0 334.376 -1.011 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001268326782 785415391 /nfs/dbraw/zinc/41/53/91/785415391.db2.gz GEEVAXXZHZUFCJ-PWSUYJOCSA-N 1 0 334.376 -1.011 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001268326783 785414963 /nfs/dbraw/zinc/41/49/63/785414963.db2.gz GEEVAXXZHZUFCJ-ZYHUDNBSSA-N 1 0 334.376 -1.011 20 0 EAADRO CC(C)=CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268327019 785415423 /nfs/dbraw/zinc/41/54/23/785415423.db2.gz ZKQNSTKYPOOLHS-JTQLQIEISA-N 1 0 326.353 -1.560 20 0 EAADRO CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268327020 785415347 /nfs/dbraw/zinc/41/53/47/785415347.db2.gz ZKQNSTKYPOOLHS-SNVBAGLBSA-N 1 0 326.353 -1.560 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1cnon1 ZINC001268327044 785415193 /nfs/dbraw/zinc/41/51/93/785415193.db2.gz OZAXSYXENRFKMU-SECBINFHSA-N 1 0 333.370 -2.215 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1cnon1 ZINC001268327050 785415321 /nfs/dbraw/zinc/41/53/21/785415321.db2.gz OZAXSYXENRFKMU-VIFPVBQESA-N 1 0 333.370 -2.215 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@H]1CCOC1)C1CC(=O)NC(=O)C1 ZINC001268327391 785415279 /nfs/dbraw/zinc/41/52/79/785415279.db2.gz IRMATHQFDJZKLO-CMPLNLGQSA-N 1 0 327.381 -1.468 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@H]1CCOC1)C1CC(=O)NC(=O)C1 ZINC001268327394 785415143 /nfs/dbraw/zinc/41/51/43/785415143.db2.gz IRMATHQFDJZKLO-JQWIXIFHSA-N 1 0 327.381 -1.468 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@@H]1CCOC1)C1CC(=O)NC(=O)C1 ZINC001268327395 785414610 /nfs/dbraw/zinc/41/46/10/785414610.db2.gz IRMATHQFDJZKLO-PWSUYJOCSA-N 1 0 327.381 -1.468 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@@H]1CCOC1)C1CC(=O)NC(=O)C1 ZINC001268327397 785414983 /nfs/dbraw/zinc/41/49/83/785414983.db2.gz IRMATHQFDJZKLO-ZYHUDNBSSA-N 1 0 327.381 -1.468 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1)N1CCCC1 ZINC001268327411 785415085 /nfs/dbraw/zinc/41/50/85/785415085.db2.gz IWXBVBQELLMRLX-LLVKDONJSA-N 1 0 340.380 -2.272 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1)N1CCCC1 ZINC001268327418 785415198 /nfs/dbraw/zinc/41/51/98/785415198.db2.gz IWXBVBQELLMRLX-NSHDSACASA-N 1 0 340.380 -2.272 20 0 EAADRO Cc1nc(C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)c(C)o1 ZINC001268327431 785415284 /nfs/dbraw/zinc/41/52/84/785415284.db2.gz RENPVMVHUGOMQT-JTQLQIEISA-N 1 0 334.398 -1.479 20 0 EAADRO Cc1nc(C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O)c(C)o1 ZINC001268327437 785415178 /nfs/dbraw/zinc/41/51/78/785415178.db2.gz RENPVMVHUGOMQT-SNVBAGLBSA-N 1 0 334.398 -1.479 20 0 EAADRO CCn1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001268327487 785415037 /nfs/dbraw/zinc/41/50/37/785415037.db2.gz JMRJIAWFBLKCQK-GFCCVEGCSA-N 1 0 337.380 -1.478 20 0 EAADRO CCn1ccc(C[NH2+]C[C@H](O)CNC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001268327496 785415428 /nfs/dbraw/zinc/41/54/28/785415428.db2.gz JMRJIAWFBLKCQK-LBPRGKRZSA-N 1 0 337.380 -1.478 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCCCO2)C1=O ZINC001268327656 785416373 /nfs/dbraw/zinc/41/63/73/785416373.db2.gz KHVNXOAZOWOOQX-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCCCO2)C1=O ZINC001268327662 785416387 /nfs/dbraw/zinc/41/63/87/785416387.db2.gz KHVNXOAZOWOOQX-NWDGAFQWSA-N 1 0 342.396 -1.484 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCCCO2)C1=O ZINC001268327663 785416240 /nfs/dbraw/zinc/41/62/40/785416240.db2.gz KHVNXOAZOWOOQX-RYUDHWBXSA-N 1 0 342.396 -1.484 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]C[C@H]2CCCCO2)C1=O ZINC001268327664 785417007 /nfs/dbraw/zinc/41/70/07/785417007.db2.gz KHVNXOAZOWOOQX-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO Cc1conc1C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001268327671 785416822 /nfs/dbraw/zinc/41/68/22/785416822.db2.gz KJPMMDRLZCASSD-JTQLQIEISA-N 1 0 334.398 -1.445 20 0 EAADRO Cc1conc1C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001268327677 785416339 /nfs/dbraw/zinc/41/63/39/785416339.db2.gz KJPMMDRLZCASSD-SNVBAGLBSA-N 1 0 334.398 -1.445 20 0 EAADRO CCc1cc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)n(C)n1 ZINC001268327682 785416771 /nfs/dbraw/zinc/41/67/71/785416771.db2.gz SCKUPZIOSCIYGB-GFCCVEGCSA-N 1 0 338.412 -1.312 20 0 EAADRO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)n(C)n1 ZINC001268327687 785416481 /nfs/dbraw/zinc/41/64/81/785416481.db2.gz SCKUPZIOSCIYGB-LBPRGKRZSA-N 1 0 338.412 -1.312 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(OC)no2)CC1 ZINC001268327848 785416869 /nfs/dbraw/zinc/41/68/69/785416869.db2.gz KLGBBKXRWSJVAX-SECBINFHSA-N 1 0 326.353 -1.224 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(OC)no2)CC1 ZINC001268327849 785416283 /nfs/dbraw/zinc/41/62/83/785416283.db2.gz KLGBBKXRWSJVAX-VIFPVBQESA-N 1 0 326.353 -1.224 20 0 EAADRO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)C2CC(=O)NC(=O)C2)cn1 ZINC001268327896 785416439 /nfs/dbraw/zinc/41/64/39/785416439.db2.gz LFRKYMDVNJTSGP-CMPLNLGQSA-N 1 0 349.391 -1.034 20 0 EAADRO Cc1cnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)C2CC(=O)NC(=O)C2)cn1 ZINC001268327897 785416883 /nfs/dbraw/zinc/41/68/83/785416883.db2.gz LFRKYMDVNJTSGP-JQWIXIFHSA-N 1 0 349.391 -1.034 20 0 EAADRO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)C2CC(=O)NC(=O)C2)cn1 ZINC001268327898 785416485 /nfs/dbraw/zinc/41/64/85/785416485.db2.gz LFRKYMDVNJTSGP-PWSUYJOCSA-N 1 0 349.391 -1.034 20 0 EAADRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C2CC(=O)NC(=O)C2)cn1 ZINC001268327899 785416447 /nfs/dbraw/zinc/41/64/47/785416447.db2.gz LFRKYMDVNJTSGP-ZYHUDNBSSA-N 1 0 349.391 -1.034 20 0 EAADRO Cc1nonc1CC(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001268327920 785417245 /nfs/dbraw/zinc/41/72/45/785417245.db2.gz UHZYOUVFERLSLC-LLVKDONJSA-N 1 0 325.369 -1.390 20 0 EAADRO Cc1nonc1CC(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001268327921 785416513 /nfs/dbraw/zinc/41/65/13/785416513.db2.gz UHZYOUVFERLSLC-NSHDSACASA-N 1 0 325.369 -1.390 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268328267 785416927 /nfs/dbraw/zinc/41/69/27/785416927.db2.gz WSNNPCAHUQDKKU-NEPJUHHUSA-N 1 0 344.437 -1.156 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268328269 785416649 /nfs/dbraw/zinc/41/66/49/785416649.db2.gz WSNNPCAHUQDKKU-NWDGAFQWSA-N 1 0 344.437 -1.156 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268328272 785416358 /nfs/dbraw/zinc/41/63/58/785416358.db2.gz WSNNPCAHUQDKKU-RYUDHWBXSA-N 1 0 344.437 -1.156 20 0 EAADRO O=C(Cc1ncc[nH]1)NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268328274 785417067 /nfs/dbraw/zinc/41/70/67/785417067.db2.gz WSNNPCAHUQDKKU-VXGBXAGGSA-N 1 0 344.437 -1.156 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)c1cc2ncccn2n1 ZINC001268328293 785416544 /nfs/dbraw/zinc/41/65/44/785416544.db2.gz WWSFNJUMVRXUSD-LLVKDONJSA-N 1 0 330.352 -1.262 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)c1cc2ncccn2n1 ZINC001268328294 785416555 /nfs/dbraw/zinc/41/65/55/785416555.db2.gz WWSFNJUMVRXUSD-NSHDSACASA-N 1 0 330.352 -1.262 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1)c1nc[nH]n1 ZINC001268328378 785416398 /nfs/dbraw/zinc/41/63/98/785416398.db2.gz XSUYRCBBVHTOJJ-SECBINFHSA-N 1 0 349.376 -1.245 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1)c1nc[nH]n1 ZINC001268328380 785416566 /nfs/dbraw/zinc/41/65/66/785416566.db2.gz XSUYRCBBVHTOJJ-VIFPVBQESA-N 1 0 349.376 -1.245 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccncn1 ZINC001268328543 785416425 /nfs/dbraw/zinc/41/64/25/785416425.db2.gz ZVMNHYITDPTPBY-NEPJUHHUSA-N 1 0 342.421 -1.018 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccncn1 ZINC001268328546 785417217 /nfs/dbraw/zinc/41/72/17/785417217.db2.gz ZVMNHYITDPTPBY-NWDGAFQWSA-N 1 0 342.421 -1.018 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccncn1 ZINC001268328548 785416745 /nfs/dbraw/zinc/41/67/45/785416745.db2.gz ZVMNHYITDPTPBY-RYUDHWBXSA-N 1 0 342.421 -1.018 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccncn1 ZINC001268328549 785417198 /nfs/dbraw/zinc/41/71/98/785417198.db2.gz ZVMNHYITDPTPBY-VXGBXAGGSA-N 1 0 342.421 -1.018 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)c[nH]1 ZINC001268328602 785416473 /nfs/dbraw/zinc/41/64/73/785416473.db2.gz OCJTYEUEVPTFIS-LLVKDONJSA-N 1 0 345.421 -1.202 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)c[nH]1 ZINC001268328603 785416453 /nfs/dbraw/zinc/41/64/53/785416453.db2.gz OCJTYEUEVPTFIS-NSHDSACASA-N 1 0 345.421 -1.202 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]CCn2cccn2)CCCS1(=O)=O ZINC001268328766 785416662 /nfs/dbraw/zinc/41/66/62/785416662.db2.gz OVWXAHWCVIGWGQ-GXTWGEPZSA-N 1 0 344.437 -1.083 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CCn2cccn2)CCCS1(=O)=O ZINC001268328767 785416669 /nfs/dbraw/zinc/41/66/69/785416669.db2.gz OVWXAHWCVIGWGQ-JSGCOSHPSA-N 1 0 344.437 -1.083 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]CCn2cccn2)CCCS1(=O)=O ZINC001268328768 785416909 /nfs/dbraw/zinc/41/69/09/785416909.db2.gz OVWXAHWCVIGWGQ-OCCSQVGLSA-N 1 0 344.437 -1.083 20 0 EAADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]CCn2cccn2)CCCS1(=O)=O ZINC001268328769 785416641 /nfs/dbraw/zinc/41/66/41/785416641.db2.gz OVWXAHWCVIGWGQ-TZMCWYRMSA-N 1 0 344.437 -1.083 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001268328852 785416841 /nfs/dbraw/zinc/41/68/41/785416841.db2.gz QDHODTCPWJQVPD-CMPLNLGQSA-N 1 0 344.437 -1.374 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001268328853 785417182 /nfs/dbraw/zinc/41/71/82/785417182.db2.gz QDHODTCPWJQVPD-JQWIXIFHSA-N 1 0 344.437 -1.374 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001268328854 785416382 /nfs/dbraw/zinc/41/63/82/785416382.db2.gz QDHODTCPWJQVPD-PWSUYJOCSA-N 1 0 344.437 -1.374 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001268328855 785416326 /nfs/dbraw/zinc/41/63/26/785416326.db2.gz QDHODTCPWJQVPD-ZYHUDNBSSA-N 1 0 344.437 -1.374 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]CCNC(=O)C2CC2)c[nH]1 ZINC001268328866 785416632 /nfs/dbraw/zinc/41/66/32/785416632.db2.gz QKBHJAOECNNKRB-GFCCVEGCSA-N 1 0 336.392 -1.110 20 0 EAADRO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)C2CC2)c[nH]1 ZINC001268328867 785417283 /nfs/dbraw/zinc/41/72/83/785417283.db2.gz QKBHJAOECNNKRB-LBPRGKRZSA-N 1 0 336.392 -1.110 20 0 EAADRO COCC[NH2+]C[C@@H](O)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001268329152 785416904 /nfs/dbraw/zinc/41/69/04/785416904.db2.gz SLBGVLNIZKGOBF-LLVKDONJSA-N 1 0 328.373 -2.108 20 0 EAADRO COCC[NH2+]C[C@H](O)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001268329158 785416704 /nfs/dbraw/zinc/41/67/04/785416704.db2.gz SLBGVLNIZKGOBF-NSHDSACASA-N 1 0 328.373 -2.108 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1=O ZINC001268329387 785417758 /nfs/dbraw/zinc/41/77/58/785417758.db2.gz SVRUZAMVWIWAJN-GFCCVEGCSA-N 1 0 335.364 -1.458 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1=O ZINC001268329388 785418319 /nfs/dbraw/zinc/41/83/19/785418319.db2.gz SVRUZAMVWIWAJN-LBPRGKRZSA-N 1 0 335.364 -1.458 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1=O ZINC001268329484 785417805 /nfs/dbraw/zinc/41/78/05/785417805.db2.gz UYFJNFNRAUWYMQ-MRVPVSSYSA-N 1 0 342.381 -2.001 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1=O ZINC001268329493 785417997 /nfs/dbraw/zinc/41/79/97/785417997.db2.gz UYFJNFNRAUWYMQ-QMMMGPOBSA-N 1 0 342.381 -2.001 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC(=O)NC(=O)C1 ZINC001268329618 785417987 /nfs/dbraw/zinc/41/79/87/785417987.db2.gz WTPNSLGEFACSAM-NEPJUHHUSA-N 1 0 327.381 -1.325 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@H]1CCCO1)C1CC(=O)NC(=O)C1 ZINC001268329620 785418809 /nfs/dbraw/zinc/41/88/09/785418809.db2.gz WTPNSLGEFACSAM-NWDGAFQWSA-N 1 0 327.381 -1.325 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC(=O)NC(=O)C1 ZINC001268329622 785418407 /nfs/dbraw/zinc/41/84/07/785418407.db2.gz WTPNSLGEFACSAM-RYUDHWBXSA-N 1 0 327.381 -1.325 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC[C@H]1CCCO1)C1CC(=O)NC(=O)C1 ZINC001268329624 785417980 /nfs/dbraw/zinc/41/79/80/785417980.db2.gz WTPNSLGEFACSAM-VXGBXAGGSA-N 1 0 327.381 -1.325 20 0 EAADRO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)CN2CC(=O)N(C)C2=O)n1 ZINC001268329763 785418773 /nfs/dbraw/zinc/41/87/73/785418773.db2.gz XHJXSTCOSPCOSL-LLVKDONJSA-N 1 0 338.368 -2.119 20 0 EAADRO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)CN2CC(=O)N(C)C2=O)n1 ZINC001268329772 785418043 /nfs/dbraw/zinc/41/80/43/785418043.db2.gz XHJXSTCOSPCOSL-NSHDSACASA-N 1 0 338.368 -2.119 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn(CC2CC2)c1 ZINC001268329864 785417893 /nfs/dbraw/zinc/41/78/93/785417893.db2.gz XXNRSAKPPFIYLC-CHWSQXEVSA-N 1 0 349.391 -1.221 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cnn(CC2CC2)c1 ZINC001268329867 785418650 /nfs/dbraw/zinc/41/86/50/785418650.db2.gz XXNRSAKPPFIYLC-OLZOCXBDSA-N 1 0 349.391 -1.221 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn(CC2CC2)c1 ZINC001268329869 785418616 /nfs/dbraw/zinc/41/86/16/785418616.db2.gz XXNRSAKPPFIYLC-QWHCGFSZSA-N 1 0 349.391 -1.221 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cnn(CC2CC2)c1 ZINC001268329871 785418537 /nfs/dbraw/zinc/41/85/37/785418537.db2.gz XXNRSAKPPFIYLC-STQMWFEESA-N 1 0 349.391 -1.221 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F)C1=O ZINC001268329872 785418296 /nfs/dbraw/zinc/41/82/96/785418296.db2.gz YADZAWFJGZMKPK-MRVPVSSYSA-N 1 0 340.302 -1.101 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F)C1=O ZINC001268329877 785418244 /nfs/dbraw/zinc/41/82/44/785418244.db2.gz YADZAWFJGZMKPK-QMMMGPOBSA-N 1 0 340.302 -1.101 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)NC[C@H](O)C[NH2+]CCC(F)(F)F ZINC001268329973 785418803 /nfs/dbraw/zinc/41/88/03/785418803.db2.gz ZRUTYDWRGPPVHQ-MRVPVSSYSA-N 1 0 340.302 -1.053 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001268329974 785417634 /nfs/dbraw/zinc/41/76/34/785417634.db2.gz ZRUTYDWRGPPVHQ-QMMMGPOBSA-N 1 0 340.302 -1.053 20 0 EAADRO Cn1cccc(C(=O)NC[C@H](O)C[NH2+]CCNC(=O)C2CC2)c1=O ZINC001268330085 785416457 /nfs/dbraw/zinc/41/64/57/785416457.db2.gz BWSVONFIRYNMHH-GFCCVEGCSA-N 1 0 336.392 -1.408 20 0 EAADRO Cn1cccc(C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)C2CC2)c1=O ZINC001268330086 785416969 /nfs/dbraw/zinc/41/69/69/785416969.db2.gz BWSVONFIRYNMHH-LBPRGKRZSA-N 1 0 336.392 -1.408 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCNC(=O)C1CC1)c1cnn2cc[nH]c12 ZINC001268330471 785417160 /nfs/dbraw/zinc/41/71/60/785417160.db2.gz KGDDQUCHIQPHBL-LLVKDONJSA-N 1 0 334.380 -1.131 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCNC(=O)C1CC1)c1cnn2cc[nH]c12 ZINC001268330472 785416376 /nfs/dbraw/zinc/41/63/76/785416376.db2.gz KGDDQUCHIQPHBL-NSHDSACASA-N 1 0 334.380 -1.131 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001268330523 785416756 /nfs/dbraw/zinc/41/67/56/785416756.db2.gz LCCYCQSWSROUDJ-SECBINFHSA-N 1 0 334.332 -2.004 20 0 EAADRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001268330524 785416420 /nfs/dbraw/zinc/41/64/20/785416420.db2.gz LCCYCQSWSROUDJ-VIFPVBQESA-N 1 0 334.332 -2.004 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)c1cc(Cl)no1 ZINC001268330575 785417168 /nfs/dbraw/zinc/41/71/68/785417168.db2.gz MTYHYQHTYUAODY-SSDOTTSWSA-N 1 0 345.743 -1.440 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)c1cc(Cl)no1 ZINC001268330576 785416392 /nfs/dbraw/zinc/41/63/92/785416392.db2.gz MTYHYQHTYUAODY-ZETCQYMHSA-N 1 0 345.743 -1.440 20 0 EAADRO Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268330902 785417953 /nfs/dbraw/zinc/41/79/53/785417953.db2.gz DJTYDADZGJRASI-SECBINFHSA-N 1 0 325.325 -1.898 20 0 EAADRO Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268330903 785418761 /nfs/dbraw/zinc/41/87/61/785418761.db2.gz DJTYDADZGJRASI-VIFPVBQESA-N 1 0 325.325 -1.898 20 0 EAADRO COc1c(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)cnn1C ZINC001268331026 785417668 /nfs/dbraw/zinc/41/76/68/785417668.db2.gz FGIINMRJUYYPHO-LLVKDONJSA-N 1 0 339.396 -1.269 20 0 EAADRO COc1c(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)cnn1C ZINC001268331027 785418664 /nfs/dbraw/zinc/41/86/64/785418664.db2.gz FGIINMRJUYYPHO-NSHDSACASA-N 1 0 339.396 -1.269 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001268331028 785417693 /nfs/dbraw/zinc/41/76/93/785417693.db2.gz FIGKCMUALNURRG-JTQLQIEISA-N 1 0 341.368 -2.773 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001268331032 785418382 /nfs/dbraw/zinc/41/83/82/785418382.db2.gz FIGKCMUALNURRG-SNVBAGLBSA-N 1 0 341.368 -2.773 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2C(=O)CNC2=O)on1 ZINC001268331037 785417681 /nfs/dbraw/zinc/41/76/81/785417681.db2.gz FJHKVWQNLBFCQT-SECBINFHSA-N 1 0 325.325 -1.898 20 0 EAADRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CN2C(=O)CNC2=O)on1 ZINC001268331038 785418834 /nfs/dbraw/zinc/41/88/34/785418834.db2.gz FJHKVWQNLBFCQT-VIFPVBQESA-N 1 0 325.325 -1.898 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)CCC1 ZINC001268331173 785418444 /nfs/dbraw/zinc/41/84/44/785418444.db2.gz RXKLLCKNVPTTNU-LLVKDONJSA-N 1 0 326.397 -1.798 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)CCC1 ZINC001268331174 785417879 /nfs/dbraw/zinc/41/78/79/785417879.db2.gz RXKLLCKNVPTTNU-NSHDSACASA-N 1 0 326.397 -1.798 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001268331177 785418604 /nfs/dbraw/zinc/41/86/04/785418604.db2.gz RZUMPYMTKDSMBE-GFCCVEGCSA-N 1 0 340.424 -1.408 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001268331178 785418331 /nfs/dbraw/zinc/41/83/31/785418331.db2.gz RZUMPYMTKDSMBE-LBPRGKRZSA-N 1 0 340.424 -1.408 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001268331187 785418523 /nfs/dbraw/zinc/41/85/23/785418523.db2.gz SCGRGJXFNTVTLK-JTQLQIEISA-N 1 0 343.409 -1.223 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001268331188 785418563 /nfs/dbraw/zinc/41/85/63/785418563.db2.gz SCGRGJXFNTVTLK-SNVBAGLBSA-N 1 0 343.409 -1.223 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)CCC1 ZINC001268331261 785418512 /nfs/dbraw/zinc/41/85/12/785418512.db2.gz SXNGRDDYCOUQDI-GFCCVEGCSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)CCC1 ZINC001268331262 785417781 /nfs/dbraw/zinc/41/77/81/785417781.db2.gz SXNGRDDYCOUQDI-LBPRGKRZSA-N 1 0 340.424 -1.410 20 0 EAADRO Cn1cccc(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)c1=O ZINC001268331635 785418743 /nfs/dbraw/zinc/41/87/43/785418743.db2.gz UXPVEBBFNFWUIZ-LLVKDONJSA-N 1 0 345.421 -1.500 20 0 EAADRO Cn1cccc(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)c1=O ZINC001268331636 785417857 /nfs/dbraw/zinc/41/78/57/785417857.db2.gz UXPVEBBFNFWUIZ-NSHDSACASA-N 1 0 345.421 -1.500 20 0 EAADRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CN2C(=O)CN(C)C2=O)on1 ZINC001268332083 785417813 /nfs/dbraw/zinc/41/78/13/785417813.db2.gz MFJBBGYDAKHUNB-JTQLQIEISA-N 1 0 339.352 -1.556 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2C(=O)CN(C)C2=O)on1 ZINC001268332084 785417769 /nfs/dbraw/zinc/41/77/69/785417769.db2.gz MFJBBGYDAKHUNB-SNVBAGLBSA-N 1 0 339.352 -1.556 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@@H](O)C[NH2+]CC2CC(F)(F)C2)C1=O ZINC001268332142 785418785 /nfs/dbraw/zinc/41/87/85/785418785.db2.gz MXPZUZOZPGNAIU-JTQLQIEISA-N 1 0 348.350 -1.008 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]CCc2cnn(C)c2)CCC1 ZINC001268332152 785418058 /nfs/dbraw/zinc/41/80/58/785418058.db2.gz YHYVVEGOEHLELI-CYBMUJFWSA-N 1 0 337.424 -1.054 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]CCc2cnn(C)c2)CCC1 ZINC001268332153 785418581 /nfs/dbraw/zinc/41/85/81/785418581.db2.gz YHYVVEGOEHLELI-ZDUSSCGKSA-N 1 0 337.424 -1.054 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@H](O)C[NH2+]CC2CC(F)(F)C2)C1=O ZINC001268332158 785418427 /nfs/dbraw/zinc/41/84/27/785418427.db2.gz MXPZUZOZPGNAIU-SNVBAGLBSA-N 1 0 348.350 -1.008 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@H](O)C[NH2+]Cc2ccnn2C)C1=O ZINC001268332525 785420061 /nfs/dbraw/zinc/42/00/61/785420061.db2.gz OVYCJSFTYJADIE-LLVKDONJSA-N 1 0 338.368 -2.119 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccnn2C)C1=O ZINC001268332526 785419784 /nfs/dbraw/zinc/41/97/84/785419784.db2.gz OVYCJSFTYJADIE-NSHDSACASA-N 1 0 338.368 -2.119 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001268332807 785419382 /nfs/dbraw/zinc/41/93/82/785419382.db2.gz QLSGIIBWSFQNAF-CYBMUJFWSA-N 1 0 348.407 -1.026 20 0 EAADRO Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001268332808 785419286 /nfs/dbraw/zinc/41/92/86/785419286.db2.gz QLSGIIBWSFQNAF-ZDUSSCGKSA-N 1 0 348.407 -1.026 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2C(=O)CNC2=O)nn1C ZINC001268332829 785419540 /nfs/dbraw/zinc/41/95/40/785419540.db2.gz QRUKNUMUEYVYBJ-LLVKDONJSA-N 1 0 338.368 -2.153 20 0 EAADRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CN2C(=O)CNC2=O)nn1C ZINC001268332830 785419180 /nfs/dbraw/zinc/41/91/80/785419180.db2.gz QRUKNUMUEYVYBJ-NSHDSACASA-N 1 0 338.368 -2.153 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)c1noc2c1COCC2 ZINC001268333091 785419999 /nfs/dbraw/zinc/41/99/99/785419999.db2.gz BHEBTBNAHDBOHM-SECBINFHSA-N 1 0 347.393 -1.528 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)c1noc2c1COCC2 ZINC001268333102 785419654 /nfs/dbraw/zinc/41/96/54/785419654.db2.gz BHEBTBNAHDBOHM-VIFPVBQESA-N 1 0 347.393 -1.528 20 0 EAADRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)ccc1=O ZINC001268333381 785420264 /nfs/dbraw/zinc/42/02/64/785420264.db2.gz SNRZSOSFMYZHHM-JTQLQIEISA-N 1 0 346.409 -2.105 20 0 EAADRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)ccc1=O ZINC001268333384 785419481 /nfs/dbraw/zinc/41/94/81/785419481.db2.gz SNRZSOSFMYZHHM-SNVBAGLBSA-N 1 0 346.409 -2.105 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)CN2C(=O)CNC2=O)cn1 ZINC001268333673 785419215 /nfs/dbraw/zinc/41/92/15/785419215.db2.gz UJVKRBAPTIIQNO-LLVKDONJSA-N 1 0 338.368 -2.419 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)CN2C(=O)CNC2=O)cn1 ZINC001268333697 785419980 /nfs/dbraw/zinc/41/99/80/785419980.db2.gz UJVKRBAPTIIQNO-NSHDSACASA-N 1 0 338.368 -2.419 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001268333752 785420140 /nfs/dbraw/zinc/42/01/40/785420140.db2.gz VHJRXMPCPBEPOQ-NEPJUHHUSA-N 1 0 349.453 -1.501 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001268333757 785420166 /nfs/dbraw/zinc/42/01/66/785420166.db2.gz VHJRXMPCPBEPOQ-NWDGAFQWSA-N 1 0 349.453 -1.501 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001268333758 785420189 /nfs/dbraw/zinc/42/01/89/785420189.db2.gz VHJRXMPCPBEPOQ-RYUDHWBXSA-N 1 0 349.453 -1.501 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001268333760 785420183 /nfs/dbraw/zinc/42/01/83/785420183.db2.gz VHJRXMPCPBEPOQ-VXGBXAGGSA-N 1 0 349.453 -1.501 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)C1=O ZINC001268333801 785418644 /nfs/dbraw/zinc/41/86/44/785418644.db2.gz VTLBOGSIRZZEOX-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)C1=O ZINC001268333817 785417929 /nfs/dbraw/zinc/41/79/29/785417929.db2.gz VTLBOGSIRZZEOX-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)C1=O ZINC001268333821 785418388 /nfs/dbraw/zinc/41/83/88/785418388.db2.gz VTLBOGSIRZZEOX-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@H](O)C[NH2+]C[C@H]2CCCOC2)C1=O ZINC001268333823 785418677 /nfs/dbraw/zinc/41/86/77/785418677.db2.gz VTLBOGSIRZZEOX-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]nc2c1 ZINC001268333990 785417642 /nfs/dbraw/zinc/41/76/42/785417642.db2.gz APXBWVSWKYEGEJ-LLVKDONJSA-N 1 0 330.352 -1.033 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]nc2c1 ZINC001268333991 785417701 /nfs/dbraw/zinc/41/77/01/785417701.db2.gz APXBWVSWKYEGEJ-NSHDSACASA-N 1 0 330.352 -1.033 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nc2ncccn2n1 ZINC001268334059 785418107 /nfs/dbraw/zinc/41/81/07/785418107.db2.gz BISWUVKFTPNQII-GFCCVEGCSA-N 1 0 344.379 -1.333 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)Cc1nc2ncccn2n1 ZINC001268334069 785418688 /nfs/dbraw/zinc/41/86/88/785418688.db2.gz BISWUVKFTPNQII-LBPRGKRZSA-N 1 0 344.379 -1.333 20 0 EAADRO Cc1nn(C)c(F)c1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268334151 785417720 /nfs/dbraw/zinc/41/77/20/785417720.db2.gz WPXZDGNTLRVUHJ-SECBINFHSA-N 1 0 336.389 -1.407 20 0 EAADRO Cc1nn(C)c(F)c1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268334179 785418747 /nfs/dbraw/zinc/41/87/47/785418747.db2.gz WPXZDGNTLRVUHJ-VIFPVBQESA-N 1 0 336.389 -1.407 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1ccsc1 ZINC001268334266 785419626 /nfs/dbraw/zinc/41/96/26/785419626.db2.gz XKZAMRFWHWCFKV-JTQLQIEISA-N 1 0 326.378 -1.133 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1ccsc1 ZINC001268334267 785419733 /nfs/dbraw/zinc/41/97/33/785419733.db2.gz XKZAMRFWHWCFKV-SNVBAGLBSA-N 1 0 326.378 -1.133 20 0 EAADRO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268334270 785420115 /nfs/dbraw/zinc/42/01/15/785420115.db2.gz XRVKBVMVRYKIFP-GFCCVEGCSA-N 1 0 335.364 -1.491 20 0 EAADRO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268334271 785419756 /nfs/dbraw/zinc/41/97/56/785419756.db2.gz XRVKBVMVRYKIFP-LBPRGKRZSA-N 1 0 335.364 -1.491 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCc3nncn3C2)cn1 ZINC001268334520 785420097 /nfs/dbraw/zinc/42/00/97/785420097.db2.gz JZZNOTAUDWSRAA-KBPBESRZSA-N 1 0 347.423 -1.117 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCc3nncn3C2)cn1 ZINC001268334535 785419916 /nfs/dbraw/zinc/41/99/16/785419916.db2.gz JZZNOTAUDWSRAA-KGLIPLIRSA-N 1 0 347.423 -1.117 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCc3nncn3C2)cn1 ZINC001268334537 785419242 /nfs/dbraw/zinc/41/92/42/785419242.db2.gz JZZNOTAUDWSRAA-UONOGXRCSA-N 1 0 347.423 -1.117 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCc3nncn3C2)cn1 ZINC001268334540 785420179 /nfs/dbraw/zinc/42/01/79/785420179.db2.gz JZZNOTAUDWSRAA-ZIAGYGMSSA-N 1 0 347.423 -1.117 20 0 EAADRO Cn1cc(C(=O)NC[C@H](O)C[NH2+]CCOC2CCC2)n(C)c1=O ZINC001268334793 785419634 /nfs/dbraw/zinc/41/96/34/785419634.db2.gz MRYFZHHSGXJIEA-LLVKDONJSA-N 1 0 326.397 -1.027 20 0 EAADRO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]CCOC2CCC2)n(C)c1=O ZINC001268334795 785420016 /nfs/dbraw/zinc/42/00/16/785420016.db2.gz MRYFZHHSGXJIEA-NSHDSACASA-N 1 0 326.397 -1.027 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001268334804 785419802 /nfs/dbraw/zinc/41/98/02/785419802.db2.gz GDFVNNDRKYAZTM-NEPJUHHUSA-N 1 0 342.396 -1.532 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001268334806 785419964 /nfs/dbraw/zinc/41/99/64/785419964.db2.gz GDFVNNDRKYAZTM-NWDGAFQWSA-N 1 0 342.396 -1.532 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001268334808 785419749 /nfs/dbraw/zinc/41/97/49/785419749.db2.gz GDFVNNDRKYAZTM-RYUDHWBXSA-N 1 0 342.396 -1.532 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001268334810 785419882 /nfs/dbraw/zinc/41/98/82/785419882.db2.gz GDFVNNDRKYAZTM-VXGBXAGGSA-N 1 0 342.396 -1.532 20 0 EAADRO NC(=O)c1ccc(C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)cc1 ZINC001268334812 785419843 /nfs/dbraw/zinc/41/98/43/785419843.db2.gz GEEZJSMHIATPBF-CYBMUJFWSA-N 1 0 332.364 -1.243 20 0 EAADRO NC(=O)c1ccc(C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)cc1 ZINC001268334814 785419491 /nfs/dbraw/zinc/41/94/91/785419491.db2.gz GEEZJSMHIATPBF-ZDUSSCGKSA-N 1 0 332.364 -1.243 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)no1 ZINC001268334975 785418395 /nfs/dbraw/zinc/41/83/95/785418395.db2.gz HSYRNZXFSGGJQQ-NXEZZACHSA-N 1 0 339.352 -1.781 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)no1 ZINC001268334976 785420238 /nfs/dbraw/zinc/42/02/38/785420238.db2.gz HSYRNZXFSGGJQQ-UWVGGRQHSA-N 1 0 339.352 -1.781 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)no1 ZINC001268334978 785419556 /nfs/dbraw/zinc/41/95/56/785419556.db2.gz HSYRNZXFSGGJQQ-VHSXEESVSA-N 1 0 339.352 -1.781 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)no1 ZINC001268334979 785419929 /nfs/dbraw/zinc/41/99/29/785419929.db2.gz HSYRNZXFSGGJQQ-ZJUUUORDSA-N 1 0 339.352 -1.781 20 0 EAADRO O=C(C[C@H]1CCCOC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268335516 785419306 /nfs/dbraw/zinc/41/93/06/785419306.db2.gz LVMGTKRQNCMZKE-CHWSQXEVSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(C[C@H]1CCCOC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268335517 785420076 /nfs/dbraw/zinc/42/00/76/785420076.db2.gz LVMGTKRQNCMZKE-OLZOCXBDSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(C[C@@H]1CCCOC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268335518 785419893 /nfs/dbraw/zinc/41/98/93/785419893.db2.gz LVMGTKRQNCMZKE-QWHCGFSZSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(C[C@@H]1CCCOC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268335519 785419647 /nfs/dbraw/zinc/41/96/47/785419647.db2.gz LVMGTKRQNCMZKE-STQMWFEESA-N 1 0 328.413 -1.105 20 0 EAADRO Cc1nccc(C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)n1 ZINC001268335550 785419808 /nfs/dbraw/zinc/41/98/08/785419808.db2.gz MTVHKANHGTYWLQ-JTQLQIEISA-N 1 0 331.398 -1.985 20 0 EAADRO Cc1nccc(C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O)n1 ZINC001268335551 785419524 /nfs/dbraw/zinc/41/95/24/785419524.db2.gz MTVHKANHGTYWLQ-SNVBAGLBSA-N 1 0 331.398 -1.985 20 0 EAADRO Cc1cccnc1C[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268335769 785419905 /nfs/dbraw/zinc/41/99/05/785419905.db2.gz PHTNNVJPZIWOHR-NEPJUHHUSA-N 1 0 349.391 -1.055 20 0 EAADRO Cc1cccnc1C[NH2+]C[C@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001268335777 785419425 /nfs/dbraw/zinc/41/94/25/785419425.db2.gz PHTNNVJPZIWOHR-NWDGAFQWSA-N 1 0 349.391 -1.055 20 0 EAADRO Cc1cccnc1C[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268335778 785419850 /nfs/dbraw/zinc/41/98/50/785419850.db2.gz PHTNNVJPZIWOHR-RYUDHWBXSA-N 1 0 349.391 -1.055 20 0 EAADRO Cc1cccnc1C[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001268335780 785419449 /nfs/dbraw/zinc/41/94/49/785419449.db2.gz PHTNNVJPZIWOHR-VXGBXAGGSA-N 1 0 349.391 -1.055 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CCC1=O)NC1CC1 ZINC001268336009 785421322 /nfs/dbraw/zinc/42/13/22/785421322.db2.gz QCPZNVGQSDRZOL-JTQLQIEISA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CCC1=O)NC1CC1 ZINC001268336010 785421120 /nfs/dbraw/zinc/42/11/20/785421120.db2.gz QCPZNVGQSDRZOL-SNVBAGLBSA-N 1 0 326.353 -2.519 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001268336040 785421355 /nfs/dbraw/zinc/42/13/55/785421355.db2.gz QOOSENQRHHOIPG-GFCCVEGCSA-N 1 0 334.380 -1.230 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001268336041 785421480 /nfs/dbraw/zinc/42/14/80/785421480.db2.gz QOOSENQRHHOIPG-LBPRGKRZSA-N 1 0 334.380 -1.230 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268336398 785421301 /nfs/dbraw/zinc/42/13/01/785421301.db2.gz SERWCPFYYADGDV-NEPJUHHUSA-N 1 0 345.425 -2.279 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268336404 785421377 /nfs/dbraw/zinc/42/13/77/785421377.db2.gz SERWCPFYYADGDV-NWDGAFQWSA-N 1 0 345.425 -2.279 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268336405 785421308 /nfs/dbraw/zinc/42/13/08/785421308.db2.gz SERWCPFYYADGDV-RYUDHWBXSA-N 1 0 345.425 -2.279 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268336406 785421089 /nfs/dbraw/zinc/42/10/89/785421089.db2.gz SERWCPFYYADGDV-VXGBXAGGSA-N 1 0 345.425 -2.279 20 0 EAADRO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2C(=O)CCC2=O)on1 ZINC001268336510 785421030 /nfs/dbraw/zinc/42/10/30/785421030.db2.gz UKMRWGDNXREUKV-SECBINFHSA-N 1 0 340.336 -1.601 20 0 EAADRO COc1cc(C[NH2+]C[C@H](O)CNC(=O)CN2C(=O)CCC2=O)on1 ZINC001268336511 785421425 /nfs/dbraw/zinc/42/14/25/785421425.db2.gz UKMRWGDNXREUKV-VIFPVBQESA-N 1 0 340.336 -1.601 20 0 EAADRO O=C(CCCn1cccn1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268336678 785419193 /nfs/dbraw/zinc/41/91/93/785419193.db2.gz VMDUPHHILUHLRB-NEPJUHHUSA-N 1 0 337.380 -1.465 20 0 EAADRO O=C(CCCn1cccn1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268336689 785419869 /nfs/dbraw/zinc/41/98/69/785419869.db2.gz VMDUPHHILUHLRB-NWDGAFQWSA-N 1 0 337.380 -1.465 20 0 EAADRO O=C(CCCn1cccn1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268336692 785419707 /nfs/dbraw/zinc/41/97/07/785419707.db2.gz VMDUPHHILUHLRB-RYUDHWBXSA-N 1 0 337.380 -1.465 20 0 EAADRO O=C(CCCn1cccn1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268336694 785420195 /nfs/dbraw/zinc/42/01/95/785420195.db2.gz VMDUPHHILUHLRB-VXGBXAGGSA-N 1 0 337.380 -1.465 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001268336701 785419970 /nfs/dbraw/zinc/41/99/70/785419970.db2.gz VPBUWEMMRBQWIA-UONOGXRCSA-N 1 0 349.387 -1.064 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001268336704 785419209 /nfs/dbraw/zinc/41/92/09/785419209.db2.gz VPBUWEMMRBQWIA-ZIAGYGMSSA-N 1 0 349.387 -1.064 20 0 EAADRO CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001268336783 785420108 /nfs/dbraw/zinc/42/01/08/785420108.db2.gz WIVXPSLBTZAHPU-CYBMUJFWSA-N 1 0 333.454 -1.250 20 0 EAADRO CC(C)=CC[NH2+]C[C@H](O)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001268336784 785420087 /nfs/dbraw/zinc/42/00/87/785420087.db2.gz WIVXPSLBTZAHPU-ZDUSSCGKSA-N 1 0 333.454 -1.250 20 0 EAADRO Cn1ccc(C(=O)NC[C@@H](O)C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)n1 ZINC001268336901 785419573 /nfs/dbraw/zinc/41/95/73/785419573.db2.gz WUKNMLURCZJRHP-NEPJUHHUSA-N 1 0 344.437 -1.075 20 0 EAADRO Cn1ccc(C(=O)NC[C@H](O)C[NH2+]CC[C@H]2CCS(=O)(=O)C2)n1 ZINC001268336904 785420048 /nfs/dbraw/zinc/42/00/48/785420048.db2.gz WUKNMLURCZJRHP-NWDGAFQWSA-N 1 0 344.437 -1.075 20 0 EAADRO Cn1ccc(C(=O)NC[C@@H](O)C[NH2+]CC[C@H]2CCS(=O)(=O)C2)n1 ZINC001268336907 785419863 /nfs/dbraw/zinc/41/98/63/785419863.db2.gz WUKNMLURCZJRHP-RYUDHWBXSA-N 1 0 344.437 -1.075 20 0 EAADRO Cn1ccc(C(=O)NC[C@H](O)C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)n1 ZINC001268336910 785420205 /nfs/dbraw/zinc/42/02/05/785420205.db2.gz WUKNMLURCZJRHP-VXGBXAGGSA-N 1 0 344.437 -1.075 20 0 EAADRO Cc1nc(C)c(CC(=O)NC[C@H](O)C[NH2+]CCn2cncn2)c(=O)[nH]1 ZINC001268336959 785419290 /nfs/dbraw/zinc/41/92/90/785419290.db2.gz XEHAKVFWLWFUBQ-GFCCVEGCSA-N 1 0 349.395 -1.300 20 0 EAADRO Cc1nc(C)c(CC(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)c(=O)[nH]1 ZINC001268336961 785419832 /nfs/dbraw/zinc/41/98/32/785419832.db2.gz XEHAKVFWLWFUBQ-LBPRGKRZSA-N 1 0 349.395 -1.300 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001268337286 785419740 /nfs/dbraw/zinc/41/97/40/785419740.db2.gz ZINSTTCHDHXXSL-BVBSBALXSA-N 1 0 339.845 -1.464 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001268337287 785419772 /nfs/dbraw/zinc/41/97/72/785419772.db2.gz ZINSTTCHDHXXSL-FMBMQGQPSA-N 1 0 339.845 -1.464 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001268337288 785419395 /nfs/dbraw/zinc/41/93/95/785419395.db2.gz ZINSTTCHDHXXSL-GXFZAYBSSA-N 1 0 339.845 -1.464 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001268337289 785419943 /nfs/dbraw/zinc/41/99/43/785419943.db2.gz ZINSTTCHDHXXSL-RFMOXSJOSA-N 1 0 339.845 -1.464 20 0 EAADRO NC(=O)c1ccnc(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)c1 ZINC001268337962 785421246 /nfs/dbraw/zinc/42/12/46/785421246.db2.gz LLFYBFGHGDSSQQ-GFCCVEGCSA-N 1 0 349.391 -1.517 20 0 EAADRO NC(=O)c1ccnc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)c1 ZINC001268337977 785421167 /nfs/dbraw/zinc/42/11/67/785421167.db2.gz LLFYBFGHGDSSQQ-LBPRGKRZSA-N 1 0 349.391 -1.517 20 0 EAADRO CCn1nc(C)c(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)n1 ZINC001268339808 785421217 /nfs/dbraw/zinc/42/12/17/785421217.db2.gz WHTARHOLFNDWQS-LLVKDONJSA-N 1 0 339.400 -1.688 20 0 EAADRO CCn1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)n1 ZINC001268339809 785421412 /nfs/dbraw/zinc/42/14/12/785421412.db2.gz WHTARHOLFNDWQS-NSHDSACASA-N 1 0 339.400 -1.688 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001268340182 785421575 /nfs/dbraw/zinc/42/15/75/785421575.db2.gz ZXEOVLKNEOIIRY-IIEFLBBWSA-N 1 0 345.465 -1.106 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001268340183 785420909 /nfs/dbraw/zinc/42/09/09/785420909.db2.gz ZXEOVLKNEOIIRY-QQOHENMQSA-N 1 0 345.465 -1.106 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001268340808 785421206 /nfs/dbraw/zinc/42/12/06/785421206.db2.gz ALDCSTRBMXXVSG-NXEZZACHSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001268340809 785421178 /nfs/dbraw/zinc/42/11/78/785421178.db2.gz ALDCSTRBMXXVSG-UWVGGRQHSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001268340810 785421332 /nfs/dbraw/zinc/42/13/32/785421332.db2.gz ALDCSTRBMXXVSG-VHSXEESVSA-N 1 0 341.412 -1.016 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001268340811 785420736 /nfs/dbraw/zinc/42/07/36/785420736.db2.gz ALDCSTRBMXXVSG-ZJUUUORDSA-N 1 0 341.412 -1.016 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)[C@@H]1CCCO1 ZINC001268341780 785420824 /nfs/dbraw/zinc/42/08/24/785420824.db2.gz IXAAZSNNPZOYES-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)[C@H]1CCCO1 ZINC001268341781 785421503 /nfs/dbraw/zinc/42/15/03/785421503.db2.gz IXAAZSNNPZOYES-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)[C@@H]1CCCO1 ZINC001268341782 785421234 /nfs/dbraw/zinc/42/12/34/785421234.db2.gz IXAAZSNNPZOYES-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)[C@H]1CCCO1 ZINC001268341783 785420954 /nfs/dbraw/zinc/42/09/54/785420954.db2.gz IXAAZSNNPZOYES-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H](CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)NC(=O)Cn1cnnn1 ZINC001268343436 785421153 /nfs/dbraw/zinc/42/11/53/785421153.db2.gz SFCOLLFWRNTIHQ-NEPJUHHUSA-N 1 0 344.441 -1.018 20 0 EAADRO C[C@@H](CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)NC(=O)Cn1cnnn1 ZINC001268343452 785421565 /nfs/dbraw/zinc/42/15/65/785421565.db2.gz SFCOLLFWRNTIHQ-NWDGAFQWSA-N 1 0 344.441 -1.018 20 0 EAADRO C[C@@H](CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)NC(=O)Cn1cnnn1 ZINC001268343454 785421065 /nfs/dbraw/zinc/42/10/65/785421065.db2.gz SFCOLLFWRNTIHQ-RYUDHWBXSA-N 1 0 344.441 -1.018 20 0 EAADRO C[C@H](CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)NC(=O)Cn1cnnn1 ZINC001268343457 785421057 /nfs/dbraw/zinc/42/10/57/785421057.db2.gz SFCOLLFWRNTIHQ-VXGBXAGGSA-N 1 0 344.441 -1.018 20 0 EAADRO CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268345346 785421561 /nfs/dbraw/zinc/42/15/61/785421561.db2.gz OHWVHJKDFPYBGM-NEPJUHHUSA-N 1 0 328.413 -1.146 20 0 EAADRO CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268345347 785421299 /nfs/dbraw/zinc/42/12/99/785421299.db2.gz OHWVHJKDFPYBGM-NWDGAFQWSA-N 1 0 328.413 -1.146 20 0 EAADRO CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268345348 785420921 /nfs/dbraw/zinc/42/09/21/785420921.db2.gz OHWVHJKDFPYBGM-RYUDHWBXSA-N 1 0 328.413 -1.146 20 0 EAADRO CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268345349 785421509 /nfs/dbraw/zinc/42/15/09/785421509.db2.gz OHWVHJKDFPYBGM-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)CS(C)(=O)=O ZINC001268346488 785421241 /nfs/dbraw/zinc/42/12/41/785421241.db2.gz CHGWSIULWWACPY-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)CS(C)(=O)=O ZINC001268346489 785421183 /nfs/dbraw/zinc/42/11/83/785421183.db2.gz CHGWSIULWWACPY-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)CS(C)(=O)=O ZINC001268346490 785421337 /nfs/dbraw/zinc/42/13/37/785421337.db2.gz CHGWSIULWWACPY-RYUDHWBXSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)CS(C)(=O)=O ZINC001268346491 785421009 /nfs/dbraw/zinc/42/10/09/785421009.db2.gz CHGWSIULWWACPY-VXGBXAGGSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnc2n1CCOC2)NC(=O)CS(C)(=O)=O ZINC001268347040 785421391 /nfs/dbraw/zinc/42/13/91/785421391.db2.gz GXLZNAKZYLKIPJ-JTQLQIEISA-N 1 0 345.425 -1.163 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnc2n1CCOC2)NC(=O)CS(C)(=O)=O ZINC001268347045 785421382 /nfs/dbraw/zinc/42/13/82/785421382.db2.gz GXLZNAKZYLKIPJ-SNVBAGLBSA-N 1 0 345.425 -1.163 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)CNC(=O)OC ZINC001268347140 785421314 /nfs/dbraw/zinc/42/13/14/785421314.db2.gz AOXFLRGECQWUQI-SECBINFHSA-N 1 0 331.373 -1.328 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)CNC(=O)OC ZINC001268347205 785421293 /nfs/dbraw/zinc/42/12/93/785421293.db2.gz AOXFLRGECQWUQI-VIFPVBQESA-N 1 0 331.373 -1.328 20 0 EAADRO C[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001268351007 785421139 /nfs/dbraw/zinc/42/11/39/785421139.db2.gz TVLZLSPAABXVDR-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001268351018 785421345 /nfs/dbraw/zinc/42/13/45/785421345.db2.gz TVLZLSPAABXVDR-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO Cc1ncc(C(=O)N[C@@H](C)CC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001268351070 785421081 /nfs/dbraw/zinc/42/10/81/785421081.db2.gz SUKNLSTXFBMSAR-JTQLQIEISA-N 1 0 336.396 -1.225 20 0 EAADRO Cc1ncc(C(=O)N[C@H](C)CC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001268351073 785421456 /nfs/dbraw/zinc/42/14/56/785421456.db2.gz SUKNLSTXFBMSAR-SNVBAGLBSA-N 1 0 336.396 -1.225 20 0 EAADRO CCC(=O)NCC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001268351700 785421267 /nfs/dbraw/zinc/42/12/67/785421267.db2.gz VSDCAFZDXSAUHG-GFCCVEGCSA-N 1 0 328.413 -1.144 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001268351701 785421317 /nfs/dbraw/zinc/42/13/17/785421317.db2.gz VSDCAFZDXSAUHG-LBPRGKRZSA-N 1 0 328.413 -1.144 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001268352038 785421365 /nfs/dbraw/zinc/42/13/65/785421365.db2.gz ZVOBTIZVMCDWJB-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001268352039 785421286 /nfs/dbraw/zinc/42/12/86/785421286.db2.gz ZVOBTIZVMCDWJB-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001268352990 785420704 /nfs/dbraw/zinc/42/07/04/785420704.db2.gz ZHSKXBSPSBSLHZ-SECBINFHSA-N 1 0 329.357 -1.621 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001268352991 785421128 /nfs/dbraw/zinc/42/11/28/785421128.db2.gz ZHSKXBSPSBSLHZ-VIFPVBQESA-N 1 0 329.357 -1.621 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CC[C@@H](C)NC(=O)CC(N)=O)CC1 ZINC001268354616 785421556 /nfs/dbraw/zinc/42/15/56/785421556.db2.gz NSPTVNQVZRRZIG-LLVKDONJSA-N 1 0 341.412 -1.963 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+]CC[C@H](C)NC(=O)CC(N)=O)CC1 ZINC001268354617 785421074 /nfs/dbraw/zinc/42/10/74/785421074.db2.gz NSPTVNQVZRRZIG-NSHDSACASA-N 1 0 341.412 -1.963 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1C1CCOCC1)NC(=O)CC(N)=O ZINC001268354928 785422260 /nfs/dbraw/zinc/42/22/60/785422260.db2.gz QLXYSKOBXPMTDI-JTQLQIEISA-N 1 0 339.400 -1.116 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C1CCOCC1)NC(=O)CC(N)=O ZINC001268354929 785423127 /nfs/dbraw/zinc/42/31/27/785423127.db2.gz QLXYSKOBXPMTDI-SNVBAGLBSA-N 1 0 339.400 -1.116 20 0 EAADRO C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)CN1CCOCC1 ZINC001268357720 785422908 /nfs/dbraw/zinc/42/29/08/785422908.db2.gz ILCZRXLDLJGMOA-CYBMUJFWSA-N 1 0 327.429 -1.172 20 0 EAADRO C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)CN1CCOCC1 ZINC001268357721 785423032 /nfs/dbraw/zinc/42/30/32/785423032.db2.gz ILCZRXLDLJGMOA-ZDUSSCGKSA-N 1 0 327.429 -1.172 20 0 EAADRO C[C@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CN1CCOCC1 ZINC001268357936 785422536 /nfs/dbraw/zinc/42/25/36/785422536.db2.gz JFHJFFFCCGCQMR-NEPJUHHUSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CN1CCOCC1 ZINC001268357937 785422885 /nfs/dbraw/zinc/42/28/85/785422885.db2.gz JFHJFFFCCGCQMR-NWDGAFQWSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CN1CCOCC1 ZINC001268357938 785422622 /nfs/dbraw/zinc/42/26/22/785422622.db2.gz JFHJFFFCCGCQMR-RYUDHWBXSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CN1CCOCC1 ZINC001268357939 785422707 /nfs/dbraw/zinc/42/27/07/785422707.db2.gz JFHJFFFCCGCQMR-VXGBXAGGSA-N 1 0 326.397 -1.392 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H](C)NC(N)=O ZINC001268357975 785422252 /nfs/dbraw/zinc/42/22/52/785422252.db2.gz VFAXDXOVDPFKTA-MNOVXSKESA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H](C)NC(N)=O ZINC001268357978 785423122 /nfs/dbraw/zinc/42/31/22/785423122.db2.gz VFAXDXOVDPFKTA-QWRGUYRKSA-N 1 0 329.401 -1.614 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CCOCC1 ZINC001268359610 785422478 /nfs/dbraw/zinc/42/24/78/785422478.db2.gz RIBQAKQXUWPUKN-CYBMUJFWSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CCOCC1 ZINC001268359611 785422339 /nfs/dbraw/zinc/42/23/39/785422339.db2.gz RIBQAKQXUWPUKN-ZDUSSCGKSA-N 1 0 340.424 -1.048 20 0 EAADRO C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1COC(=O)N1 ZINC001268360007 785422806 /nfs/dbraw/zinc/42/28/06/785422806.db2.gz UNZACKUYUZDHKN-NXEZZACHSA-N 1 0 341.368 -1.479 20 0 EAADRO C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001268360010 785422956 /nfs/dbraw/zinc/42/29/56/785422956.db2.gz UNZACKUYUZDHKN-UWVGGRQHSA-N 1 0 341.368 -1.479 20 0 EAADRO C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1COC(=O)N1 ZINC001268360011 785422787 /nfs/dbraw/zinc/42/27/87/785422787.db2.gz UNZACKUYUZDHKN-VHSXEESVSA-N 1 0 341.368 -1.479 20 0 EAADRO C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001268360012 785423011 /nfs/dbraw/zinc/42/30/11/785423011.db2.gz UNZACKUYUZDHKN-ZJUUUORDSA-N 1 0 341.368 -1.479 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H](C)n1cncn1 ZINC001268360052 785423067 /nfs/dbraw/zinc/42/30/67/785423067.db2.gz UCEKXDABCNEBIA-GHMZBOCLSA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H](C)n1cncn1 ZINC001268360055 785422742 /nfs/dbraw/zinc/42/27/42/785422742.db2.gz UCEKXDABCNEBIA-MNOVXSKESA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H](C)n1cncn1 ZINC001268360061 785423112 /nfs/dbraw/zinc/42/31/12/785423112.db2.gz UCEKXDABCNEBIA-QWRGUYRKSA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@H](C(=O)N[C@@H](C)CC[NH2+]CCN1C(=O)CNC1=O)n1cncn1 ZINC001268360063 785422931 /nfs/dbraw/zinc/42/29/31/785422931.db2.gz UCEKXDABCNEBIA-WDEREUQCSA-N 1 0 337.384 -1.125 20 0 EAADRO C[C@@H](CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1cn(C)nn1 ZINC001268363284 785423103 /nfs/dbraw/zinc/42/31/03/785423103.db2.gz LRWYKIMXOHQCLZ-JTQLQIEISA-N 1 0 349.395 -1.489 20 0 EAADRO C[C@H](CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1cn(C)nn1 ZINC001268363285 785422506 /nfs/dbraw/zinc/42/25/06/785422506.db2.gz LRWYKIMXOHQCLZ-SNVBAGLBSA-N 1 0 349.395 -1.489 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)c1ncn(C)n1 ZINC001268363320 785422321 /nfs/dbraw/zinc/42/23/21/785422321.db2.gz MPTNLGCVYGLTGR-SECBINFHSA-N 1 0 337.384 -1.099 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)c1ncn(C)n1 ZINC001268363321 785422586 /nfs/dbraw/zinc/42/25/86/785422586.db2.gz MPTNLGCVYGLTGR-VIFPVBQESA-N 1 0 337.384 -1.099 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nccn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001268365232 785422870 /nfs/dbraw/zinc/42/28/70/785422870.db2.gz DJESXGKWJVOMGE-JTQLQIEISA-N 1 0 334.384 -1.205 20 0 EAADRO C[C@H](CC[NH2+]Cc1nccn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001268365233 785422418 /nfs/dbraw/zinc/42/24/18/785422418.db2.gz DJESXGKWJVOMGE-SNVBAGLBSA-N 1 0 334.384 -1.205 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cn1ncnn1 ZINC001268366378 785422581 /nfs/dbraw/zinc/42/25/81/785422581.db2.gz NKMCENRLPZHUBB-JTQLQIEISA-N 1 0 338.372 -2.884 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cn1ncnn1 ZINC001268366379 785422314 /nfs/dbraw/zinc/42/23/14/785422314.db2.gz NKMCENRLPZHUBB-SNVBAGLBSA-N 1 0 338.372 -2.884 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)CNC(=O)N1CCCC1 ZINC001268368394 785422446 /nfs/dbraw/zinc/42/24/46/785422446.db2.gz XOECYOZALQODIW-LLVKDONJSA-N 1 0 338.416 -1.000 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)CNC(=O)N1CCCC1 ZINC001268368408 785422492 /nfs/dbraw/zinc/42/24/92/785422492.db2.gz XOECYOZALQODIW-NSHDSACASA-N 1 0 338.416 -1.000 20 0 EAADRO C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001268369858 785422664 /nfs/dbraw/zinc/42/26/64/785422664.db2.gz CEBHKKPKFRFGOD-JTQLQIEISA-N 1 0 332.430 -1.309 20 0 EAADRO C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001268369859 785422272 /nfs/dbraw/zinc/42/22/72/785422272.db2.gz CEBHKKPKFRFGOD-SNVBAGLBSA-N 1 0 332.430 -1.309 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001268370525 785422461 /nfs/dbraw/zinc/42/24/61/785422461.db2.gz JYTYMNKDWSAACD-JTQLQIEISA-N 1 0 327.385 -1.451 20 0 EAADRO CNC(=O)NCC(=O)N[C@H](C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001268370526 785422440 /nfs/dbraw/zinc/42/24/40/785422440.db2.gz JYTYMNKDWSAACD-SNVBAGLBSA-N 1 0 327.385 -1.451 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001268370917 785422226 /nfs/dbraw/zinc/42/22/26/785422226.db2.gz NJKXVAVWRXGOLO-SECBINFHSA-N 1 0 333.418 -1.914 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001268370924 785422655 /nfs/dbraw/zinc/42/26/55/785422655.db2.gz NJKXVAVWRXGOLO-VIFPVBQESA-N 1 0 333.418 -1.914 20 0 EAADRO C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268371062 785422482 /nfs/dbraw/zinc/42/24/82/785422482.db2.gz OKKDSTLCMXRHIL-LLVKDONJSA-N 1 0 349.395 -1.640 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268371063 785422409 /nfs/dbraw/zinc/42/24/09/785422409.db2.gz OKKDSTLCMXRHIL-NSHDSACASA-N 1 0 349.395 -1.640 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268371528 785422474 /nfs/dbraw/zinc/42/24/74/785422474.db2.gz RZBOFQFMVGUPGC-LLVKDONJSA-N 1 0 339.396 -1.880 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268371531 785422433 /nfs/dbraw/zinc/42/24/33/785422433.db2.gz RZBOFQFMVGUPGC-NSHDSACASA-N 1 0 339.396 -1.880 20 0 EAADRO Cc1nnc(C[NH2+]CC[C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)[nH]1 ZINC001268372153 785422563 /nfs/dbraw/zinc/42/25/63/785422563.db2.gz VVNYSILNAPXZML-JTQLQIEISA-N 1 0 349.395 -1.342 20 0 EAADRO Cc1nnc(C[NH2+]CC[C@@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)[nH]1 ZINC001268372158 785422854 /nfs/dbraw/zinc/42/28/54/785422854.db2.gz VVNYSILNAPXZML-SNVBAGLBSA-N 1 0 349.395 -1.342 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCNC1=O ZINC001268372721 785422975 /nfs/dbraw/zinc/42/29/75/785422975.db2.gz HJJRFBAURAIVEE-GHMZBOCLSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001268372722 785423006 /nfs/dbraw/zinc/42/30/06/785423006.db2.gz HJJRFBAURAIVEE-MNOVXSKESA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001268372724 785422732 /nfs/dbraw/zinc/42/27/32/785422732.db2.gz HJJRFBAURAIVEE-QWRGUYRKSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCNC1=O ZINC001268372726 785422966 /nfs/dbraw/zinc/42/29/66/785422966.db2.gz HJJRFBAURAIVEE-WDEREUQCSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CCOCC1=O ZINC001268375156 785422521 /nfs/dbraw/zinc/42/25/21/785422521.db2.gz ZJDYPAHPOZJSOK-JTQLQIEISA-N 1 0 340.384 -2.048 20 0 EAADRO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CN1CCOCC1=O ZINC001268375157 785422348 /nfs/dbraw/zinc/42/23/48/785422348.db2.gz ZJDYPAHPOZJSOK-SNVBAGLBSA-N 1 0 340.384 -2.048 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001268376961 785422543 /nfs/dbraw/zinc/42/25/43/785422543.db2.gz FKQTUJRXYWCAMK-GHMZBOCLSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001268376962 785422628 /nfs/dbraw/zinc/42/26/28/785422628.db2.gz FKQTUJRXYWCAMK-MNOVXSKESA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001268376963 785422290 /nfs/dbraw/zinc/42/22/90/785422290.db2.gz FKQTUJRXYWCAMK-QWRGUYRKSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001268376964 785422606 /nfs/dbraw/zinc/42/26/06/785422606.db2.gz FKQTUJRXYWCAMK-WDEREUQCSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001268377745 785422391 /nfs/dbraw/zinc/42/23/91/785422391.db2.gz NIULFZJGPRXQPK-GXSJLCMTSA-N 1 0 345.421 -1.289 20 0 EAADRO C[C@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001268377748 785422358 /nfs/dbraw/zinc/42/23/58/785422358.db2.gz NIULFZJGPRXQPK-KOLCDFICSA-N 1 0 345.421 -1.289 20 0 EAADRO C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001268377749 785422189 /nfs/dbraw/zinc/42/21/89/785422189.db2.gz NIULFZJGPRXQPK-MWLCHTKSSA-N 1 0 345.421 -1.289 20 0 EAADRO C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001268377751 785423940 /nfs/dbraw/zinc/42/39/40/785423940.db2.gz NIULFZJGPRXQPK-ONGXEEELSA-N 1 0 345.421 -1.289 20 0 EAADRO C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C(=O)NCC(F)F ZINC001268377842 785423788 /nfs/dbraw/zinc/42/37/88/785423788.db2.gz OOVCNMUTSKOBPC-SECBINFHSA-N 1 0 335.355 -1.123 20 0 EAADRO C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C(=O)NCC(F)F ZINC001268377843 785423921 /nfs/dbraw/zinc/42/39/21/785423921.db2.gz OOVCNMUTSKOBPC-VIFPVBQESA-N 1 0 335.355 -1.123 20 0 EAADRO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCS(C)(=O)=O ZINC001268380185 785424522 /nfs/dbraw/zinc/42/45/22/785424522.db2.gz YMLIAHNJKZHEFG-SECBINFHSA-N 1 0 333.414 -1.473 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCS(C)(=O)=O ZINC001268380191 785424511 /nfs/dbraw/zinc/42/45/11/785424511.db2.gz YMLIAHNJKZHEFG-VIFPVBQESA-N 1 0 333.414 -1.473 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268381322 785424537 /nfs/dbraw/zinc/42/45/37/785424537.db2.gz GYZOYBQZJRGQLG-JTQLQIEISA-N 1 0 335.368 -1.238 20 0 EAADRO C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268381323 785424414 /nfs/dbraw/zinc/42/44/14/785424414.db2.gz GYZOYBQZJRGQLG-SNVBAGLBSA-N 1 0 335.368 -1.238 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268381382 785423575 /nfs/dbraw/zinc/42/35/75/785423575.db2.gz IKMCMFOLQXVGDR-JTQLQIEISA-N 1 0 325.369 -1.479 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268381383 785424333 /nfs/dbraw/zinc/42/43/33/785424333.db2.gz IKMCMFOLQXVGDR-SNVBAGLBSA-N 1 0 325.369 -1.479 20 0 EAADRO CC(C)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268381552 785423666 /nfs/dbraw/zinc/42/36/66/785423666.db2.gz JVJPUCXEHHELBY-LLVKDONJSA-N 1 0 339.396 -1.042 20 0 EAADRO CC(C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268381553 785423507 /nfs/dbraw/zinc/42/35/07/785423507.db2.gz JVJPUCXEHHELBY-NSHDSACASA-N 1 0 339.396 -1.042 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O ZINC001268382922 785423973 /nfs/dbraw/zinc/42/39/73/785423973.db2.gz FJRMJTYSGFJDGI-LLVKDONJSA-N 1 0 334.380 -1.274 20 0 EAADRO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1nc2ccccn2c1=O ZINC001268382923 785424505 /nfs/dbraw/zinc/42/45/05/785424505.db2.gz FJRMJTYSGFJDGI-NSHDSACASA-N 1 0 334.380 -1.274 20 0 EAADRO C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268386389 785424450 /nfs/dbraw/zinc/42/44/50/785424450.db2.gz KRMVKIWOLNBSHY-KOLCDFICSA-N 1 0 344.393 -1.428 20 0 EAADRO C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268386390 785424217 /nfs/dbraw/zinc/42/42/17/785424217.db2.gz KRMVKIWOLNBSHY-ONGXEEELSA-N 1 0 344.393 -1.428 20 0 EAADRO C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)CCn1ncn(C)c1=O ZINC001268388253 785424172 /nfs/dbraw/zinc/42/41/72/785424172.db2.gz SUZAYFOSYOXEJL-LLVKDONJSA-N 1 0 336.400 -1.215 20 0 EAADRO C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)CCn1ncn(C)c1=O ZINC001268388254 785424304 /nfs/dbraw/zinc/42/43/04/785424304.db2.gz SUZAYFOSYOXEJL-NSHDSACASA-N 1 0 336.400 -1.215 20 0 EAADRO C[C@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1CCNC(=O)C1 ZINC001268388958 785423532 /nfs/dbraw/zinc/42/35/32/785423532.db2.gz HIEKLSAYZWXVQX-CYBMUJFWSA-N 1 0 336.440 -1.121 20 0 EAADRO C[C@@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1CCNC(=O)C1 ZINC001268388959 785424149 /nfs/dbraw/zinc/42/41/49/785424149.db2.gz HIEKLSAYZWXVQX-ZDUSSCGKSA-N 1 0 336.440 -1.121 20 0 EAADRO CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001268389652 785423673 /nfs/dbraw/zinc/42/36/73/785423673.db2.gz OHQBFJBPKXJZJR-GFCCVEGCSA-N 1 0 327.429 -1.619 20 0 EAADRO CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001268389653 785424189 /nfs/dbraw/zinc/42/41/89/785424189.db2.gz OHQBFJBPKXJZJR-LBPRGKRZSA-N 1 0 327.429 -1.619 20 0 EAADRO C[C@H](CC[NH2+]CCCS(C)(=O)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268390408 785424050 /nfs/dbraw/zinc/42/40/50/785424050.db2.gz DBVBCZSFGORGFR-GHMZBOCLSA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@H](CC[NH2+]CCCS(C)(=O)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268390409 785424560 /nfs/dbraw/zinc/42/45/60/785424560.db2.gz DBVBCZSFGORGFR-MNOVXSKESA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@@H](CC[NH2+]CCCS(C)(=O)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268390410 785424251 /nfs/dbraw/zinc/42/42/51/785424251.db2.gz DBVBCZSFGORGFR-QWRGUYRKSA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@@H](CC[NH2+]CCCS(C)(=O)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268390411 785423720 /nfs/dbraw/zinc/42/37/20/785423720.db2.gz DBVBCZSFGORGFR-WDEREUQCSA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)C1(C(N)=O)CC1 ZINC001268392862 785423622 /nfs/dbraw/zinc/42/36/22/785423622.db2.gz DRYZMYXOWFRWQM-NEPJUHHUSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)C1(C(N)=O)CC1 ZINC001268392863 785424470 /nfs/dbraw/zinc/42/44/70/785424470.db2.gz DRYZMYXOWFRWQM-NWDGAFQWSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)C1(C(N)=O)CC1 ZINC001268392864 785423468 /nfs/dbraw/zinc/42/34/68/785423468.db2.gz DRYZMYXOWFRWQM-RYUDHWBXSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)C1(C(N)=O)CC1 ZINC001268392865 785423753 /nfs/dbraw/zinc/42/37/53/785423753.db2.gz DRYZMYXOWFRWQM-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO C[C@H](CC[NH2+]CCCN1C(=O)NC(C)(C)C1=O)NC(=O)C(N)=O ZINC001268392990 785424431 /nfs/dbraw/zinc/42/44/31/785424431.db2.gz FYECSCNQVHZCGS-SECBINFHSA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@@H](CC[NH2+]CCCN1C(=O)NC(C)(C)C1=O)NC(=O)C(N)=O ZINC001268392993 785425975 /nfs/dbraw/zinc/42/59/75/785425975.db2.gz FYECSCNQVHZCGS-VIFPVBQESA-N 1 0 327.385 -1.323 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268393350 785425717 /nfs/dbraw/zinc/42/57/17/785425717.db2.gz UXFFOHFETUOJGK-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268393357 785426114 /nfs/dbraw/zinc/42/61/14/785426114.db2.gz UXFFOHFETUOJGK-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268393360 785426069 /nfs/dbraw/zinc/42/60/69/785426069.db2.gz UXFFOHFETUOJGK-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268393363 785425915 /nfs/dbraw/zinc/42/59/15/785425915.db2.gz UXFFOHFETUOJGK-VXGBXAGGSA-N 1 0 341.412 -1.647 20 0 EAADRO Cc1nn2c(nc(C[NH2+]CC[C@@H](C)NC(=O)C(N)=O)cc2=O)s1 ZINC001268393561 785425925 /nfs/dbraw/zinc/42/59/25/785425925.db2.gz HTFZZWHTRXYWCW-SSDOTTSWSA-N 1 0 338.393 -1.071 20 0 EAADRO Cc1nn2c(nc(C[NH2+]CC[C@H](C)NC(=O)C(N)=O)cc2=O)s1 ZINC001268393566 785425953 /nfs/dbraw/zinc/42/59/53/785425953.db2.gz HTFZZWHTRXYWCW-ZETCQYMHSA-N 1 0 338.393 -1.071 20 0 EAADRO C[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001268394010 785424155 /nfs/dbraw/zinc/42/41/55/785424155.db2.gz LCGFDIMRBASMFU-NEPJUHHUSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001268394011 785423766 /nfs/dbraw/zinc/42/37/66/785423766.db2.gz LCGFDIMRBASMFU-RYUDHWBXSA-N 1 0 348.469 -1.017 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001268394019 785424236 /nfs/dbraw/zinc/42/42/36/785424236.db2.gz JQSMYFLMNPSFOT-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001268394020 785424040 /nfs/dbraw/zinc/42/40/40/785424040.db2.gz LEAUPBCRJPYKSP-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001268394021 785424556 /nfs/dbraw/zinc/42/45/56/785424556.db2.gz JQSMYFLMNPSFOT-UWVGGRQHSA-N 1 0 325.369 -1.699 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001268394022 785423960 /nfs/dbraw/zinc/42/39/60/785423960.db2.gz JQSMYFLMNPSFOT-VHSXEESVSA-N 1 0 325.369 -1.699 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001268394023 785424443 /nfs/dbraw/zinc/42/44/43/785424443.db2.gz JQSMYFLMNPSFOT-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001268394024 785423803 /nfs/dbraw/zinc/42/38/03/785423803.db2.gz LEAUPBCRJPYKSP-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1nnn(C)n1 ZINC001268394043 785424022 /nfs/dbraw/zinc/42/40/22/785424022.db2.gz LGUFSFXZVNQCLJ-JTQLQIEISA-N 1 0 345.429 -1.656 20 0 EAADRO C[C@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1nnn(C)n1 ZINC001268394048 785424439 /nfs/dbraw/zinc/42/44/39/785424439.db2.gz LGUFSFXZVNQCLJ-SNVBAGLBSA-N 1 0 345.429 -1.656 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CCC(=O)N1C ZINC001268394729 785425557 /nfs/dbraw/zinc/42/55/57/785425557.db2.gz WVORVWWQYDWUHV-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CCC(=O)N1C ZINC001268394732 785425938 /nfs/dbraw/zinc/42/59/38/785425938.db2.gz WVORVWWQYDWUHV-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO C[C@H](CC[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001268395458 785425822 /nfs/dbraw/zinc/42/58/22/785425822.db2.gz QLAMFKKWVXHCEB-GHMZBOCLSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@H](CC[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001268395470 785425753 /nfs/dbraw/zinc/42/57/53/785425753.db2.gz QLAMFKKWVXHCEB-MNOVXSKESA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@@H](CC[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001268395472 785425400 /nfs/dbraw/zinc/42/54/00/785425400.db2.gz QLAMFKKWVXHCEB-QWRGUYRKSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@@H](CC[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001268395474 785425576 /nfs/dbraw/zinc/42/55/76/785425576.db2.gz QLAMFKKWVXHCEB-WDEREUQCSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001268397537 785425931 /nfs/dbraw/zinc/42/59/31/785425931.db2.gz QWWGARYUBNYENI-SECBINFHSA-N 1 0 338.368 -1.225 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001268397541 785425325 /nfs/dbraw/zinc/42/53/25/785425325.db2.gz QWWGARYUBNYENI-VIFPVBQESA-N 1 0 338.368 -1.225 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001268399112 785425819 /nfs/dbraw/zinc/42/58/19/785425819.db2.gz DOULHCLFQFNCRZ-BMIGLBTASA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001268399113 785425435 /nfs/dbraw/zinc/42/54/35/785425435.db2.gz DOULHCLFQFNCRZ-BONVTDFDSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001268399114 785425659 /nfs/dbraw/zinc/42/56/59/785425659.db2.gz DOULHCLFQFNCRZ-MEBBXXQBSA-N 1 0 341.412 -1.157 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001268399115 785426103 /nfs/dbraw/zinc/42/61/03/785426103.db2.gz DOULHCLFQFNCRZ-ZUZCIYMTSA-N 1 0 341.412 -1.157 20 0 EAADRO CCCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268404330 785425481 /nfs/dbraw/zinc/42/54/81/785425481.db2.gz FKTIAPDVDASAQH-UWVGGRQHSA-N 1 0 327.385 -1.405 20 0 EAADRO CCCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268404332 785425352 /nfs/dbraw/zinc/42/53/52/785425352.db2.gz FKTIAPDVDASAQH-ZJUUUORDSA-N 1 0 327.385 -1.405 20 0 EAADRO C[C@H](CC[NH2+]Cc1cnon1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268405068 785426015 /nfs/dbraw/zinc/42/60/15/785426015.db2.gz ISKJJINMYFNCJL-SECBINFHSA-N 1 0 336.352 -1.235 20 0 EAADRO C[C@@H](CC[NH2+]Cc1cnon1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268405070 785425898 /nfs/dbraw/zinc/42/58/98/785425898.db2.gz ISKJJINMYFNCJL-VIFPVBQESA-N 1 0 336.352 -1.235 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001268406357 785425230 /nfs/dbraw/zinc/42/52/30/785425230.db2.gz WOCCJKWDSUFUCJ-JTQLQIEISA-N 1 0 339.400 -1.312 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001268406364 785425950 /nfs/dbraw/zinc/42/59/50/785425950.db2.gz WOCCJKWDSUFUCJ-SNVBAGLBSA-N 1 0 339.400 -1.312 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268406415 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C[C@@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1cnn(C)n1 ZINC001268407879 785425838 /nfs/dbraw/zinc/42/58/38/785425838.db2.gz GADQIAMWTOKTIY-NSHDSACASA-N 1 0 344.441 -1.051 20 0 EAADRO CC(C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268408099 785425598 /nfs/dbraw/zinc/42/55/98/785425598.db2.gz XMNDBUDOLKJLAY-UWVGGRQHSA-N 1 0 327.385 -1.407 20 0 EAADRO CC(C)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268408110 785425455 /nfs/dbraw/zinc/42/54/55/785425455.db2.gz XMNDBUDOLKJLAY-ZJUUUORDSA-N 1 0 327.385 -1.407 20 0 EAADRO C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001268408186 785425979 /nfs/dbraw/zinc/42/59/79/785425979.db2.gz JTZFIOOAZXGAJH-LLVKDONJSA-N 1 0 349.395 -1.260 20 0 EAADRO C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001268408187 785426121 /nfs/dbraw/zinc/42/61/21/785426121.db2.gz JTZFIOOAZXGAJH-NSHDSACASA-N 1 0 349.395 -1.260 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cccnn1 ZINC001268410352 785425587 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C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CCn1cnccc1=O ZINC001268411734 785425919 /nfs/dbraw/zinc/42/59/19/785425919.db2.gz PWSMDGYYWAIJFB-RYUDHWBXSA-N 1 0 349.391 -1.077 20 0 EAADRO C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CCn1cnccc1=O ZINC001268411735 785425836 /nfs/dbraw/zinc/42/58/36/785425836.db2.gz PWSMDGYYWAIJFB-VXGBXAGGSA-N 1 0 349.391 -1.077 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1ncc[nH]1 ZINC001268412252 785425867 /nfs/dbraw/zinc/42/58/67/785425867.db2.gz UTHOSDDJWHYKSG-LLVKDONJSA-N 1 0 336.396 -1.605 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1ncc[nH]1 ZINC001268412253 785426021 /nfs/dbraw/zinc/42/60/21/785426021.db2.gz UTHOSDDJWHYKSG-NSHDSACASA-N 1 0 336.396 -1.605 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268413099 785424973 /nfs/dbraw/zinc/42/49/73/785424973.db2.gz CWLOPUBKUMSPJG-JTQLQIEISA-N 1 0 327.385 -1.547 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268413107 785426056 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785427211 /nfs/dbraw/zinc/42/72/11/785427211.db2.gz YQUMIHLELLLGBW-JTQLQIEISA-N 1 0 337.384 -1.307 20 0 EAADRO C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268417239 785427176 /nfs/dbraw/zinc/42/71/76/785427176.db2.gz YQUMIHLELLLGBW-SNVBAGLBSA-N 1 0 337.384 -1.307 20 0 EAADRO C[C@@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)CN1CCC(=O)NC1=O ZINC001268417469 785427227 /nfs/dbraw/zinc/42/72/27/785427227.db2.gz MANOTDOCECZPFX-JTQLQIEISA-N 1 0 348.425 -1.543 20 0 EAADRO C[C@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)CN1CCC(=O)NC1=O ZINC001268417479 785427421 /nfs/dbraw/zinc/42/74/21/785427421.db2.gz MANOTDOCECZPFX-SNVBAGLBSA-N 1 0 348.425 -1.543 20 0 EAADRO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CS(=O)(=O)N(C)C ZINC001268418854 785426969 /nfs/dbraw/zinc/42/69/69/785426969.db2.gz HGTFZCDWNGACMT-SECBINFHSA-N 1 0 348.429 -2.016 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CS(=O)(=O)N(C)C ZINC001268418855 785427255 /nfs/dbraw/zinc/42/72/55/785427255.db2.gz HGTFZCDWNGACMT-VIFPVBQESA-N 1 0 348.429 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/nfs/dbraw/zinc/42/68/51/785426851.db2.gz LQPLTFJOHFVIKM-VIFPVBQESA-N 1 0 335.368 -1.087 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268421620 785427094 /nfs/dbraw/zinc/42/70/94/785427094.db2.gz RIIGFJAZESNKCO-UWVGGRQHSA-N 1 0 328.369 -1.409 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268421621 785427045 /nfs/dbraw/zinc/42/70/45/785427045.db2.gz RIIGFJAZESNKCO-ZJUUUORDSA-N 1 0 328.369 -1.409 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1ccccc1=O ZINC001268421888 785427480 /nfs/dbraw/zinc/42/74/80/785427480.db2.gz VPKUATMZOOWXHC-LLVKDONJSA-N 1 0 337.380 -1.212 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1ccccc1=O ZINC001268421889 785426619 /nfs/dbraw/zinc/42/66/19/785426619.db2.gz VPKUATMZOOWXHC-NSHDSACASA-N 1 0 337.380 -1.212 20 0 EAADRO CCn1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)nn1 ZINC001268422696 785426992 /nfs/dbraw/zinc/42/69/92/785426992.db2.gz BJZUBLLBFPEDNM-CMPLNLGQSA-N 1 0 344.441 -1.026 20 0 EAADRO CCn1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)nn1 ZINC001268422697 785427386 /nfs/dbraw/zinc/42/73/86/785427386.db2.gz BJZUBLLBFPEDNM-JQWIXIFHSA-N 1 0 344.441 -1.026 20 0 EAADRO CCn1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)nn1 ZINC001268422698 785427108 /nfs/dbraw/zinc/42/71/08/785427108.db2.gz BJZUBLLBFPEDNM-PWSUYJOCSA-N 1 0 344.441 -1.026 20 0 EAADRO CCn1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)nn1 ZINC001268422699 785427326 /nfs/dbraw/zinc/42/73/26/785427326.db2.gz BJZUBLLBFPEDNM-ZYHUDNBSSA-N 1 0 344.441 -1.026 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001268422898 785426702 /nfs/dbraw/zinc/42/67/02/785426702.db2.gz CMWQCSWRGBIHSM-GHMZBOCLSA-N 1 0 344.441 -1.201 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001268422904 785427521 /nfs/dbraw/zinc/42/75/21/785427521.db2.gz CMWQCSWRGBIHSM-MNOVXSKESA-N 1 0 344.441 -1.201 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001268422907 785427200 /nfs/dbraw/zinc/42/72/00/785427200.db2.gz CMWQCSWRGBIHSM-QWRGUYRKSA-N 1 0 344.441 -1.201 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001268422908 785427062 /nfs/dbraw/zinc/42/70/62/785427062.db2.gz CMWQCSWRGBIHSM-WDEREUQCSA-N 1 0 344.441 -1.201 20 0 EAADRO CCN1CCO[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423279 785427332 /nfs/dbraw/zinc/42/73/32/785427332.db2.gz FZUGCMOZSIUQMW-NEPJUHHUSA-N 1 0 325.417 -1.085 20 0 EAADRO CCN1CCO[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423287 785427407 /nfs/dbraw/zinc/42/74/07/785427407.db2.gz FZUGCMOZSIUQMW-NWDGAFQWSA-N 1 0 325.417 -1.085 20 0 EAADRO CCN1CCO[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423289 785427005 /nfs/dbraw/zinc/42/70/05/785427005.db2.gz FZUGCMOZSIUQMW-RYUDHWBXSA-N 1 0 325.417 -1.085 20 0 EAADRO CCN1CCO[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423292 785426879 /nfs/dbraw/zinc/42/68/79/785426879.db2.gz FZUGCMOZSIUQMW-VXGBXAGGSA-N 1 0 325.417 -1.085 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN1C(=O)CNC1=O ZINC001268423467 785426931 /nfs/dbraw/zinc/42/69/31/785426931.db2.gz FRTIARTWNPQQOP-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN1C(=O)CNC1=O ZINC001268423474 785426776 /nfs/dbraw/zinc/42/67/76/785426776.db2.gz FRTIARTWNPQQOP-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO CCn1ncnc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268423644 785427306 /nfs/dbraw/zinc/42/73/06/785427306.db2.gz JAPWSMYVWQMDMT-GHMZBOCLSA-N 1 0 344.441 -1.026 20 0 EAADRO CCn1ncnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268423646 785427485 /nfs/dbraw/zinc/42/74/85/785427485.db2.gz JAPWSMYVWQMDMT-MNOVXSKESA-N 1 0 344.441 -1.026 20 0 EAADRO CCn1ncnc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268423648 785427527 /nfs/dbraw/zinc/42/75/27/785427527.db2.gz JAPWSMYVWQMDMT-QWRGUYRKSA-N 1 0 344.441 -1.026 20 0 EAADRO CCn1ncnc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268423650 785427152 /nfs/dbraw/zinc/42/71/52/785427152.db2.gz JAPWSMYVWQMDMT-WDEREUQCSA-N 1 0 344.441 -1.026 20 0 EAADRO C[C@H](CC[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)CCNC(N)=O ZINC001268423728 785426831 /nfs/dbraw/zinc/42/68/31/785426831.db2.gz FWFSAHQAUPYKIZ-GHMZBOCLSA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@H](CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)CCNC(N)=O ZINC001268423729 785426937 /nfs/dbraw/zinc/42/69/37/785426937.db2.gz FWFSAHQAUPYKIZ-MNOVXSKESA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@@H](CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)CCNC(N)=O ZINC001268423730 785427233 /nfs/dbraw/zinc/42/72/33/785427233.db2.gz FWFSAHQAUPYKIZ-QWRGUYRKSA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@@H](CC[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)CCNC(N)=O ZINC001268423731 785427470 /nfs/dbraw/zinc/42/74/70/785427470.db2.gz FWFSAHQAUPYKIZ-WDEREUQCSA-N 1 0 334.442 -1.036 20 0 EAADRO C[C@H](CC[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CN1C(=O)CNC1=O ZINC001268424254 785427296 /nfs/dbraw/zinc/42/72/96/785427296.db2.gz HNOZBZGDWQJFIK-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](CC[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CN1C(=O)CNC1=O ZINC001268424255 785426768 /nfs/dbraw/zinc/42/67/68/785426768.db2.gz HNOZBZGDWQJFIK-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CC[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CN1C(=O)CNC1=O ZINC001268424256 785427377 /nfs/dbraw/zinc/42/73/77/785427377.db2.gz HNOZBZGDWQJFIK-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CC[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CN1C(=O)CNC1=O ZINC001268424257 785427363 /nfs/dbraw/zinc/42/73/63/785427363.db2.gz HNOZBZGDWQJFIK-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268424839 785427085 /nfs/dbraw/zinc/42/70/85/785427085.db2.gz RLYSIVIKHRUHMG-JTQLQIEISA-N 1 0 347.441 -1.084 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268424852 785426749 /nfs/dbraw/zinc/42/67/49/785426749.db2.gz RLYSIVIKHRUHMG-SNVBAGLBSA-N 1 0 347.441 -1.084 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001268425132 785427126 /nfs/dbraw/zinc/42/71/26/785427126.db2.gz KFWMJSQDYVSXTE-SECBINFHSA-N 1 0 338.372 -1.912 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001268425135 785427370 /nfs/dbraw/zinc/42/73/70/785427370.db2.gz KFWMJSQDYVSXTE-VIFPVBQESA-N 1 0 338.372 -1.912 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268425416 785427290 /nfs/dbraw/zinc/42/72/90/785427290.db2.gz WCUFSNLQIYZFKK-NEPJUHHUSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268425418 785427403 /nfs/dbraw/zinc/42/74/03/785427403.db2.gz WCUFSNLQIYZFKK-NWDGAFQWSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268425420 785427272 /nfs/dbraw/zinc/42/72/72/785427272.db2.gz WCUFSNLQIYZFKK-RYUDHWBXSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268425422 785427447 /nfs/dbraw/zinc/42/74/47/785427447.db2.gz WCUFSNLQIYZFKK-VXGBXAGGSA-N 1 0 346.453 -1.215 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCCC1 ZINC001268425701 785426901 /nfs/dbraw/zinc/42/69/01/785426901.db2.gz YIUAWXUWLNIIKG-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCCC1 ZINC001268425703 785427478 /nfs/dbraw/zinc/42/74/78/785427478.db2.gz YIUAWXUWLNIIKG-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001268426392 785427076 /nfs/dbraw/zinc/42/70/76/785427076.db2.gz OFJZBRWMEHLBRI-GHMZBOCLSA-N 1 0 348.411 -1.053 20 0 EAADRO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001268426393 785426672 /nfs/dbraw/zinc/42/66/72/785426672.db2.gz OFJZBRWMEHLBRI-MNOVXSKESA-N 1 0 348.411 -1.053 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001268426426 785427452 /nfs/dbraw/zinc/42/74/52/785427452.db2.gz OFJZBRWMEHLBRI-QWRGUYRKSA-N 1 0 348.411 -1.053 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCc2nncn2C1 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334.384 -1.205 20 0 EAADRO C[C@H](CC[NH2+]Cc1cncn1C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001268427401 785427035 /nfs/dbraw/zinc/42/70/35/785427035.db2.gz WZVCWRPTPXFCRG-SNVBAGLBSA-N 1 0 334.384 -1.205 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001268428097 785427168 /nfs/dbraw/zinc/42/71/68/785427168.db2.gz KUJBQUKLVZFCAZ-NXEZZACHSA-N 1 0 332.430 -1.125 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CC[NH2+]Cc1nnnn1C ZINC001268428099 785427278 /nfs/dbraw/zinc/42/72/78/785427278.db2.gz KUJBQUKLVZFCAZ-UWVGGRQHSA-N 1 0 332.430 -1.125 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001268428101 785426795 /nfs/dbraw/zinc/42/67/95/785426795.db2.gz KUJBQUKLVZFCAZ-VHSXEESVSA-N 1 0 332.430 -1.125 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001268428103 785427443 /nfs/dbraw/zinc/42/74/43/785427443.db2.gz KUJBQUKLVZFCAZ-ZJUUUORDSA-N 1 0 332.430 -1.125 20 0 EAADRO CCN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)CNC(C)=O ZINC001268428565 785426986 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CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268469158 785432006 /nfs/dbraw/zinc/43/20/06/785432006.db2.gz QKSDRRAJJUVZDV-NEPJUHHUSA-N 1 0 347.437 -1.626 20 0 EAADRO CCN(CC[NH2+]C[C@@H]1CCOC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268469160 785432466 /nfs/dbraw/zinc/43/24/66/785432466.db2.gz QKSDRRAJJUVZDV-RYUDHWBXSA-N 1 0 347.437 -1.626 20 0 EAADRO CCN(CC[NH2+]CCCOC)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268469183 785431835 /nfs/dbraw/zinc/43/18/35/785431835.db2.gz QLABHWFDKZCTGH-NSHDSACASA-N 1 0 335.426 -1.626 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)CN1CCNC(=O)C1 ZINC001268469555 785431816 /nfs/dbraw/zinc/43/18/16/785431816.db2.gz MKTHFUCFRWKFRI-UHFFFAOYSA-N 1 0 342.400 -2.688 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001268470198 785431585 /nfs/dbraw/zinc/43/15/85/785431585.db2.gz VNAHVFMMAQAWGI-SECBINFHSA-N 1 0 328.373 -2.096 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268470206 785431442 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CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCN(C)C1=O ZINC001268472500 785431716 /nfs/dbraw/zinc/43/17/16/785431716.db2.gz UIRJQTXWMDCIJO-LBPRGKRZSA-N 1 0 348.469 -1.206 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCC(=O)N1C ZINC001268472720 785432275 /nfs/dbraw/zinc/43/22/75/785432275.db2.gz BBPHZCJRCSSOGJ-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001268472828 785432144 /nfs/dbraw/zinc/43/21/44/785432144.db2.gz GHUZKYCCAHLNAC-LLVKDONJSA-N 1 0 334.442 -1.406 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@]1(F)CCOC1 ZINC001268473116 785431684 /nfs/dbraw/zinc/43/16/84/785431684.db2.gz BTCYCQQMBBHXTD-HNNXBMFYSA-N 1 0 344.387 -1.489 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@@]1(F)CCOC1 ZINC001268473124 785432490 /nfs/dbraw/zinc/43/24/90/785432490.db2.gz BTCYCQQMBBHXTD-OAHLLOKOSA-N 1 0 344.387 -1.489 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)c1c[nH]c(=O)cn1 ZINC001268473125 785431472 /nfs/dbraw/zinc/43/14/72/785431472.db2.gz BTEYQQRFNDIQMK-UHFFFAOYSA-N 1 0 338.368 -1.333 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)C1(C(N)=O)CC1 ZINC001268473876 785432244 /nfs/dbraw/zinc/43/22/44/785432244.db2.gz BSLFUWUMXUHSAL-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCO[C@H](C)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001268474803 785431698 /nfs/dbraw/zinc/43/16/98/785431698.db2.gz HSPDRUXNJPBHCM-NEPJUHHUSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001268474805 785432190 /nfs/dbraw/zinc/43/21/90/785432190.db2.gz HSPDRUXNJPBHCM-NWDGAFQWSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001268474807 785431598 /nfs/dbraw/zinc/43/15/98/785431598.db2.gz HSPDRUXNJPBHCM-RYUDHWBXSA-N 1 0 341.412 -1.647 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCO[C@H](C)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001268474808 785431807 /nfs/dbraw/zinc/43/18/07/785431807.db2.gz HSPDRUXNJPBHCM-VXGBXAGGSA-N 1 0 341.412 -1.647 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785431535 /nfs/dbraw/zinc/43/15/35/785431535.db2.gz ORWRFIXTCHLACB-ZDUSSCGKSA-N 1 0 348.407 -1.183 20 0 EAADRO CCN(CC[NH2+]CCCN1C(=O)NC(C)(C)C1=O)C(=O)C(N)=O ZINC001268476120 785432208 /nfs/dbraw/zinc/43/22/08/785432208.db2.gz PEHOECIJTCZKRB-UHFFFAOYSA-N 1 0 327.385 -1.370 20 0 EAADRO CCN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001268476268 785433110 /nfs/dbraw/zinc/43/31/10/785433110.db2.gz VBRPABJUASTDNN-GFCCVEGCSA-N 1 0 346.453 -1.069 20 0 EAADRO CCN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001268476271 785433775 /nfs/dbraw/zinc/43/37/75/785433775.db2.gz VBRPABJUASTDNN-LBPRGKRZSA-N 1 0 346.453 -1.069 20 0 EAADRO CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001268479856 785433699 /nfs/dbraw/zinc/43/36/99/785433699.db2.gz VYKWKHJGJNJQJK-HNNXBMFYSA-N 1 0 339.396 -1.498 20 0 EAADRO CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001268479857 785433635 /nfs/dbraw/zinc/43/36/35/785433635.db2.gz VYKWKHJGJNJQJK-OAHLLOKOSA-N 1 0 339.396 -1.498 20 0 EAADRO CCN(CC[NH2+]CC(=O)NCC(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268480260 785432824 /nfs/dbraw/zinc/43/28/24/785432824.db2.gz FHPVLYUCNGGMSH-NSHDSACASA-N 1 0 341.412 -1.205 20 0 EAADRO CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268480486 785432984 /nfs/dbraw/zinc/43/29/84/785432984.db2.gz KKCYVVKITXTZLX-VIFPVBQESA-N 1 0 349.413 -2.428 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)c1c(C)nn(C)c1OC ZINC001268480645 785433881 /nfs/dbraw/zinc/43/38/81/785433881.db2.gz LZDBOCPPRHZRTD-UHFFFAOYSA-N 1 0 340.384 -1.016 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)Cn1ccc(C)cc1=O ZINC001268480728 785433642 /nfs/dbraw/zinc/43/36/42/785433642.db2.gz NDYMYZWYEKSCSD-UHFFFAOYSA-N 1 0 337.380 -1.210 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268481393 785434316 /nfs/dbraw/zinc/43/43/16/785434316.db2.gz BMHLYUSUDFAAEU-UHFFFAOYSA-N 1 0 327.341 -2.409 20 0 EAADRO CC[C@@H]([NH2+]CCN(CC)C(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001268481784 785435891 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CCN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)CCn1cnnn1 ZINC001268488192 785435032 /nfs/dbraw/zinc/43/50/32/785435032.db2.gz YIWMGUZBXMHPIB-LBPRGKRZSA-N 1 0 344.441 -1.064 20 0 EAADRO CCN(CCNCc1cn(C)nn1)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001268489194 785435165 /nfs/dbraw/zinc/43/51/65/785435165.db2.gz IIVXZELLJFNIDQ-UHFFFAOYSA-N 1 0 349.395 -1.307 20 0 EAADRO CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cn(CC)nn1 ZINC001268489365 785435288 /nfs/dbraw/zinc/43/52/88/785435288.db2.gz SXNSMBFMFOADGM-UHFFFAOYSA-N 1 0 337.384 -1.099 20 0 EAADRO CCN(CCNCc1nnnn1C)C(=O)CCn1cnccc1=O ZINC001268489830 785435987 /nfs/dbraw/zinc/43/59/87/785435987.db2.gz ZVNAGQVWKZCFHW-UHFFFAOYSA-N 1 0 334.384 -1.205 20 0 EAADRO CCN(CC[NH2+]CC(=O)N(C)C)C(=O)CN1CCC(=O)NC1=O ZINC001268490840 785437521 /nfs/dbraw/zinc/43/75/21/785437521.db2.gz OVVWFSDPGZGFJP-UHFFFAOYSA-N 1 0 327.385 -1.545 20 0 EAADRO CCS(=O)(=O)NCCN1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001268495035 785437892 /nfs/dbraw/zinc/43/78/92/785437892.db2.gz 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CCNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)CN(C)C(C)=O ZINC001268513867 785441375 /nfs/dbraw/zinc/44/13/75/785441375.db2.gz KSLPQWYKTBDLFY-JMEBYUIHSA-N 1 0 341.412 -1.039 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CN(C)C(C)=O ZINC001268513874 785441909 /nfs/dbraw/zinc/44/19/09/785441909.db2.gz KSLPQWYKTBDLFY-MLRMMBSGSA-N 1 0 341.412 -1.039 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)CN(C)C(C)=O ZINC001268513876 785441258 /nfs/dbraw/zinc/44/12/58/785441258.db2.gz KSLPQWYKTBDLFY-XUIVZRPNSA-N 1 0 341.412 -1.039 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)CN(C)C(C)=O ZINC001268513878 785440744 /nfs/dbraw/zinc/44/07/44/785440744.db2.gz KSLPQWYKTBDLFY-ZADCQDASSA-N 1 0 341.412 -1.039 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1)N1CCOCC1 ZINC001268514863 785441591 /nfs/dbraw/zinc/44/15/91/785441591.db2.gz OFKNKPCQAOAHEY-AORQRIRUSA-N 1 0 327.381 -1.477 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1)N1CCOCC1 ZINC001268514867 785440477 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CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001268515205 785441032 /nfs/dbraw/zinc/44/10/32/785441032.db2.gz SIZREGDGPUDMOK-UFFNRZRYSA-N 1 0 328.369 -1.491 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)CN(C)C(C)=O ZINC001268515206 785441880 /nfs/dbraw/zinc/44/18/80/785441880.db2.gz SJDLCGXHLWOCRC-BRAIEQGRSA-N 1 0 327.385 -1.429 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)CN(C)C(C)=O ZINC001268515207 785440971 /nfs/dbraw/zinc/44/09/71/785440971.db2.gz SJDLCGXHLWOCRC-OMMCCPJFSA-N 1 0 327.385 -1.429 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CN(C)C(C)=O ZINC001268515208 785441212 /nfs/dbraw/zinc/44/12/12/785441212.db2.gz SJDLCGXHLWOCRC-PORFMDCZSA-N 1 0 327.385 -1.429 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)CN(C)C(C)=O ZINC001268515209 785440953 /nfs/dbraw/zinc/44/09/53/785440953.db2.gz SJDLCGXHLWOCRC-WWQCOOJYSA-N 1 0 327.385 -1.429 20 0 EAADRO C[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCNC(=O)C1)n1cccn1 ZINC001268515256 785440683 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Cn1c(=O)cc(C[NH2+]C/C=C\CNC(=O)c2cn[nH]c2)n(C)c1=O ZINC001268515582 785442917 /nfs/dbraw/zinc/44/29/17/785442917.db2.gz DBEZFCWPDMASCG-ARJAWSKDSA-N 1 0 332.364 -1.117 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C/C=C/CNC(=O)c2cn[nH]c2)n(C)c1=O ZINC001268515583 785442656 /nfs/dbraw/zinc/44/26/56/785442656.db2.gz DBEZFCWPDMASCG-ONEGZZNKSA-N 1 0 332.364 -1.117 20 0 EAADRO CCc1cc(C(=O)NCC=CC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]n1 ZINC001268515700 785441131 /nfs/dbraw/zinc/44/11/31/785441131.db2.gz YPSBZMLXVZVTBS-ARJAWSKDSA-N 1 0 348.407 -1.194 20 0 EAADRO CCc1cc(C(=O)NCC=CC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]n1 ZINC001268515701 785440913 /nfs/dbraw/zinc/44/09/13/785440913.db2.gz YPSBZMLXVZVTBS-ONEGZZNKSA-N 1 0 348.407 -1.194 20 0 EAADRO CCO[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268515770 785441480 /nfs/dbraw/zinc/44/14/80/785441480.db2.gz FCVFLSGLILECTA-CDJBXZAQSA-N 1 0 338.408 -1.368 20 0 EAADRO CCO[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268515771 785441104 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Cn1cc(C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@@H]2CCCO2)nn1 ZINC001268533497 785443584 /nfs/dbraw/zinc/44/35/84/785443584.db2.gz QLYRKCNVCAUTEV-JDGPPOGSSA-N 1 0 336.396 -1.014 20 0 EAADRO Cn1cc(C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@H]2CCCO2)nn1 ZINC001268533498 785443532 /nfs/dbraw/zinc/44/35/32/785443532.db2.gz QLYRKCNVCAUTEV-QAVQXKDTSA-N 1 0 336.396 -1.014 20 0 EAADRO Cn1cc(C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@H]2CCCO2)nn1 ZINC001268533499 785442868 /nfs/dbraw/zinc/44/28/68/785442868.db2.gz QLYRKCNVCAUTEV-ZZKXABKFSA-N 1 0 336.396 -1.014 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@H]1COC(=O)N1)N1CCNC(=O)C1 ZINC001268533849 785443291 /nfs/dbraw/zinc/44/32/91/785443291.db2.gz AHZBEAQKHYVMSE-JWXWKVPASA-N 1 0 339.352 -2.685 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1COC(=O)N1)N1CCNC(=O)C1 ZINC001268533852 785442736 /nfs/dbraw/zinc/44/27/36/785442736.db2.gz AHZBEAQKHYVMSE-SYBPUXJVSA-N 1 0 339.352 -2.685 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@H]1COC(=O)N1)N1CCNC(=O)C1 ZINC001268533854 785443619 /nfs/dbraw/zinc/44/36/19/785443619.db2.gz AHZBEAQKHYVMSE-TXXBHVLJSA-N 1 0 339.352 -2.685 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1COC(=O)N1)N1CCNC(=O)C1 ZINC001268533856 785443000 /nfs/dbraw/zinc/44/30/00/785443000.db2.gz AHZBEAQKHYVMSE-YOLVWIGZSA-N 1 0 339.352 -2.685 20 0 EAADRO CCn1ccnc1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268534298 785443057 /nfs/dbraw/zinc/44/30/57/785443057.db2.gz TUYSWVDICVFWMW-ARJAWSKDSA-N 1 0 348.407 -1.263 20 0 EAADRO CCn1ccnc1C(=O)NC/C=C/C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268534302 785443434 /nfs/dbraw/zinc/44/34/34/785443434.db2.gz TUYSWVDICVFWMW-ONEGZZNKSA-N 1 0 348.407 -1.263 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001268536740 785443075 /nfs/dbraw/zinc/44/30/75/785443075.db2.gz OWEDQFODKGKQNH-DQOJRVPBSA-N 1 0 340.380 -1.396 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001268536741 785444240 /nfs/dbraw/zinc/44/42/40/785444240.db2.gz OWEDQFODKGKQNH-FQVTYBBZSA-N 1 0 340.380 -1.396 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C/C=C\CNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC001268536742 785445271 /nfs/dbraw/zinc/44/52/71/785445271.db2.gz OWEDQFODKGKQNH-JDEDCZITSA-N 1 0 340.380 -1.396 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C/C=C/CNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC001268536744 785444214 /nfs/dbraw/zinc/44/42/14/785444214.db2.gz OWEDQFODKGKQNH-JGLYPNHGSA-N 1 0 340.380 -1.396 20 0 EAADRO O=C(Cn1ncnn1)NC/C=C\C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268537704 785444838 /nfs/dbraw/zinc/44/48/38/785444838.db2.gz CCSROIJZCZQTSC-BIOMNHJASA-N 1 0 342.425 -1.240 20 0 EAADRO O=C(Cn1ncnn1)NC/C=C/C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268537705 785444797 /nfs/dbraw/zinc/44/47/97/785444797.db2.gz CCSROIJZCZQTSC-ISUDXETCSA-N 1 0 342.425 -1.240 20 0 EAADRO O=C(Cn1ncnn1)NC/C=C\C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268537706 785445336 /nfs/dbraw/zinc/44/53/36/785445336.db2.gz CCSROIJZCZQTSC-UDSFMNFJSA-N 1 0 342.425 -1.240 20 0 EAADRO O=C(Cn1ncnn1)NC/C=C/C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268537707 785444982 /nfs/dbraw/zinc/44/49/82/785444982.db2.gz CCSROIJZCZQTSC-YYRQZUAOSA-N 1 0 342.425 -1.240 20 0 EAADRO O=C(Cn1ncnn1)NC/C=C/C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001268538072 785445027 /nfs/dbraw/zinc/44/50/27/785445027.db2.gz FWJOKGHDHCMKQU-OWOJBTEDSA-N 1 0 342.425 -1.240 20 0 EAADRO O=C(Cn1ncnn1)NC/C=C\C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001268538073 785444405 /nfs/dbraw/zinc/44/44/05/785444405.db2.gz FWJOKGHDHCMKQU-UPHRSURJSA-N 1 0 342.425 -1.240 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)Cn1ncnn1)NC1CCOCC1 ZINC001268538478 785444361 /nfs/dbraw/zinc/44/43/61/785444361.db2.gz KGLSDYYKEZLDIF-OWOJBTEDSA-N 1 0 337.384 -1.770 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)Cn1ncnn1)NC1CCOCC1 ZINC001268538479 785444590 /nfs/dbraw/zinc/44/45/90/785444590.db2.gz KGLSDYYKEZLDIF-UPHRSURJSA-N 1 0 337.384 -1.770 20 0 EAADRO Cn1ccc(CC(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001268541017 785445002 /nfs/dbraw/zinc/44/50/02/785445002.db2.gz HFMBEJDHDFPFKA-IHWYPQMZSA-N 1 0 334.380 -1.224 20 0 EAADRO Cn1ccc(CC(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001268541026 785445103 /nfs/dbraw/zinc/44/51/03/785445103.db2.gz HFMBEJDHDFPFKA-NSCUHMNNSA-N 1 0 334.380 -1.224 20 0 EAADRO C[C@@H](NC/C=C/CNC(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001268544452 785444917 /nfs/dbraw/zinc/44/49/17/785444917.db2.gz DVSNULYELROETI-BRAIEQGRSA-N 1 0 345.429 -1.576 20 0 EAADRO C[C@H](NC/C=C\CNC(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001268544457 785444470 /nfs/dbraw/zinc/44/44/70/785444470.db2.gz DVSNULYELROETI-OMMCCPJFSA-N 1 0 345.429 -1.576 20 0 EAADRO C[C@H](NC/C=C/CNC(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001268544458 785444847 /nfs/dbraw/zinc/44/48/47/785444847.db2.gz DVSNULYELROETI-PORFMDCZSA-N 1 0 345.429 -1.576 20 0 EAADRO C[C@@H](NC/C=C\CNC(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001268544459 785444093 /nfs/dbraw/zinc/44/40/93/785444093.db2.gz DVSNULYELROETI-WWQCOOJYSA-N 1 0 345.429 -1.576 20 0 EAADRO CCCn1nnnc1CNC/C=C\CNC(=O)C1CS(=O)(=O)C1 ZINC001268545332 785444826 /nfs/dbraw/zinc/44/48/26/785444826.db2.gz ZLYCAMRSQKJUNF-ARJAWSKDSA-N 1 0 342.425 -1.110 20 0 EAADRO CCCn1nnnc1CNC/C=C/CNC(=O)C1CS(=O)(=O)C1 ZINC001268545333 785445303 /nfs/dbraw/zinc/44/53/03/785445303.db2.gz ZLYCAMRSQKJUNF-ONEGZZNKSA-N 1 0 342.425 -1.110 20 0 EAADRO CNC(=O)NCC(=O)NC/C=C\CNCC(=O)Nc1nncs1 ZINC001268546710 785445126 /nfs/dbraw/zinc/44/51/26/785445126.db2.gz DTNZIXQVMSFRJQ-IHWYPQMZSA-N 1 0 341.397 -1.332 20 0 EAADRO CNC(=O)NCC(=O)NC/C=C/CNCC(=O)Nc1nncs1 ZINC001268546711 785444505 /nfs/dbraw/zinc/44/45/05/785444505.db2.gz DTNZIXQVMSFRJQ-NSCUHMNNSA-N 1 0 341.397 -1.332 20 0 EAADRO CC(=O)N(C)CC(=O)NCC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001268547107 785446357 /nfs/dbraw/zinc/44/63/57/785446357.db2.gz NKSKAYPJDRPZOA-UHFFFAOYSA-N 1 0 339.396 -1.545 20 0 EAADRO CN1C[C@@H](C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001268547426 785446115 /nfs/dbraw/zinc/44/61/15/785446115.db2.gz GXSJVPSUNTYQBM-BYCRGOAPSA-N 1 0 332.426 -1.724 20 0 EAADRO CN1C[C@H](C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001268547427 785446592 /nfs/dbraw/zinc/44/65/92/785446592.db2.gz GXSJVPSUNTYQBM-DLRQAJBASA-N 1 0 332.426 -1.724 20 0 EAADRO CN1C[C@H](C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001268547428 785446690 /nfs/dbraw/zinc/44/66/90/785446690.db2.gz GXSJVPSUNTYQBM-PGLGOXFNSA-N 1 0 332.426 -1.724 20 0 EAADRO CN1C[C@@H](C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O)CC1=O ZINC001268547429 785446630 /nfs/dbraw/zinc/44/66/30/785446630.db2.gz GXSJVPSUNTYQBM-UFFNRZRYSA-N 1 0 332.426 -1.724 20 0 EAADRO CS(=O)(=O)CC(=O)NCC1CN(CCCN2C(=O)CNC2=O)C1 ZINC001268547540 785444330 /nfs/dbraw/zinc/44/43/30/785444330.db2.gz SCUNNRJVGQERDP-UHFFFAOYSA-N 1 0 346.409 -1.979 20 0 EAADRO O=C(CN1CCOCC1=O)NC/C=C/C[NH2+]CCN1CCCC1=O ZINC001268549452 785446265 /nfs/dbraw/zinc/44/62/65/785446265.db2.gz GMYZCGSQOMNUII-OWOJBTEDSA-N 1 0 338.408 -1.270 20 0 EAADRO O=C(CN1CCOCC1=O)NC/C=C\C[NH2+]CCN1CCCC1=O ZINC001268549453 785446677 /nfs/dbraw/zinc/44/66/77/785446677.db2.gz GMYZCGSQOMNUII-UPHRSURJSA-N 1 0 338.408 -1.270 20 0 EAADRO Cc1ncc(CC(=O)NC/C=C\C[NH2+]CC(=O)N2CCNC(=O)C2)o1 ZINC001268549710 785446459 /nfs/dbraw/zinc/44/64/59/785446459.db2.gz ZQZQFXVHFRNTQI-IHWYPQMZSA-N 1 0 349.391 -1.254 20 0 EAADRO Cc1ncc(CC(=O)NC/C=C/C[NH2+]CC(=O)N2CCNC(=O)C2)o1 ZINC001268549711 785446228 /nfs/dbraw/zinc/44/62/28/785446228.db2.gz ZQZQFXVHFRNTQI-NSCUHMNNSA-N 1 0 349.391 -1.254 20 0 EAADRO CN1CCC[C@H]([NH2+]C/C=C/CNC(=O)CN2CCOCC2=O)C1=O ZINC001268550712 785445778 /nfs/dbraw/zinc/44/57/78/785445778.db2.gz SZGHGTQAVLNBQO-IBUXWKBASA-N 1 0 338.408 -1.272 20 0 EAADRO CN1CCC[C@@H]([NH2+]C/C=C\CNC(=O)CN2CCOCC2=O)C1=O ZINC001268550713 785446942 /nfs/dbraw/zinc/44/69/42/785446942.db2.gz SZGHGTQAVLNBQO-XQJDBVBESA-N 1 0 338.408 -1.272 20 0 EAADRO CN1CCC[C@@H]([NH2+]C/C=C/CNC(=O)CN2CCOCC2=O)C1=O ZINC001268550714 785446598 /nfs/dbraw/zinc/44/65/98/785446598.db2.gz SZGHGTQAVLNBQO-YWVDXFKGSA-N 1 0 338.408 -1.272 20 0 EAADRO CN1CCC[C@H]([NH2+]C/C=C\CNC(=O)CN2CCOCC2=O)C1=O ZINC001268550715 785445992 /nfs/dbraw/zinc/44/59/92/785445992.db2.gz SZGHGTQAVLNBQO-ZRMMWKCHSA-N 1 0 338.408 -1.272 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)Cc1cn(C)nc1C ZINC001268550876 785446299 /nfs/dbraw/zinc/44/62/99/785446299.db2.gz WHXXXDAAJZUXFG-PLNGDYQASA-N 1 0 336.396 -1.011 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)Cc1cn(C)nc1C ZINC001268550877 785446681 /nfs/dbraw/zinc/44/66/81/785446681.db2.gz WHXXXDAAJZUXFG-SNAWJCMRSA-N 1 0 336.396 -1.011 20 0 EAADRO CN(CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCNC1=O)S(C)(=O)=O ZINC001268551164 785446290 /nfs/dbraw/zinc/44/62/90/785446290.db2.gz BWOSQAVRKNNRRM-AAOUONPWSA-N 1 0 346.453 -1.334 20 0 EAADRO CN(CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCNC1=O)S(C)(=O)=O ZINC001268551165 785445957 /nfs/dbraw/zinc/44/59/57/785445957.db2.gz BWOSQAVRKNNRRM-MVZIDQBPSA-N 1 0 346.453 -1.334 20 0 EAADRO CN(CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCNC1=O)S(C)(=O)=O ZINC001268551166 785446346 /nfs/dbraw/zinc/44/63/46/785446346.db2.gz BWOSQAVRKNNRRM-PCAWENJQSA-N 1 0 346.453 -1.334 20 0 EAADRO CN(CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCNC1=O)S(C)(=O)=O 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333.348 -1.539 20 0 EAADRO Cn1cnc(C(=O)NC/C=C\C[NH2+][C@H]2CCC(=O)NC2=O)cc1=O ZINC001268553099 785446666 /nfs/dbraw/zinc/44/66/66/785446666.db2.gz SGNHWSMLAVCKSV-ZMWSMAPVSA-N 1 0 333.348 -1.539 20 0 EAADRO COC1CC(C(=O)NC/C=C\C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001268556161 785446875 /nfs/dbraw/zinc/44/68/75/785446875.db2.gz VDGNRRZUJRZYQP-IHWYPQMZSA-N 1 0 338.408 -1.368 20 0 EAADRO COC1CC(C(=O)NC/C=C/C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001268556162 785445922 /nfs/dbraw/zinc/44/59/22/785445922.db2.gz VDGNRRZUJRZYQP-NSCUHMNNSA-N 1 0 338.408 -1.368 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001268556824 785446133 /nfs/dbraw/zinc/44/61/33/785446133.db2.gz AGUVWRUCPWLIPT-OWOJBTEDSA-N 1 0 329.422 -1.085 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001268556831 785446311 /nfs/dbraw/zinc/44/63/11/785446311.db2.gz AGUVWRUCPWLIPT-UPHRSURJSA-N 1 0 329.422 -1.085 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H](C)S(C)(=O)=O ZINC001268557352 785446784 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CS(=O)(=O)CCC(=O)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268557981 785446646 /nfs/dbraw/zinc/44/66/46/785446646.db2.gz YUWOLPFFXJKUEC-VMZHVLLKSA-N 1 0 331.394 -1.512 20 0 EAADRO CS(=O)(=O)CCC(=O)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268557983 785446814 /nfs/dbraw/zinc/44/68/14/785446814.db2.gz YUWOLPFFXJKUEC-ZMWSMAPVSA-N 1 0 331.394 -1.512 20 0 EAADRO Cn1cnn(CC(=O)NC/C=C/C[NH2+]CC(=O)NC(C)(C)C)c1=O ZINC001268558266 785445815 /nfs/dbraw/zinc/44/58/15/785445815.db2.gz IPSZERNYJCYAOJ-AATRIKPKSA-N 1 0 338.412 -1.242 20 0 EAADRO Cn1cnn(CC(=O)NC/C=C\C[NH2+]CC(=O)NC(C)(C)C)c1=O ZINC001268558267 785445974 /nfs/dbraw/zinc/44/59/74/785445974.db2.gz IPSZERNYJCYAOJ-WAYWQWQTSA-N 1 0 338.412 -1.242 20 0 EAADRO Cn1cnn(CC(=O)NC/C=C\C[NH2+]CCS(C)(=O)=O)c1=O ZINC001268558270 785446575 /nfs/dbraw/zinc/44/65/75/785446575.db2.gz IQJKOCOVLYREDE-ARJAWSKDSA-N 1 0 331.398 -2.112 20 0 EAADRO Cn1cnn(CC(=O)NC/C=C/C[NH2+]CCS(C)(=O)=O)c1=O ZINC001268558271 785446332 /nfs/dbraw/zinc/44/63/32/785446332.db2.gz 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Cn1cnn(CCC(=O)NC/C=C/C[NH2+]CC(=O)N2CCC2)c1=O ZINC001268576803 785449175 /nfs/dbraw/zinc/44/91/75/785449175.db2.gz STXJKFCUADYPME-NSCUHMNNSA-N 1 0 336.396 -1.534 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O ZINC001268577313 785449936 /nfs/dbraw/zinc/44/99/36/785449936.db2.gz UELGBRQWJAUQAF-MXQLGCADSA-N 1 0 333.414 -2.419 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC/C=C/C[NH2+][C@H]1CCCNC1=O ZINC001268577315 785449657 /nfs/dbraw/zinc/44/96/57/785449657.db2.gz UELGBRQWJAUQAF-PBKGFPTLSA-N 1 0 333.414 -2.419 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC/C=C/C[NH2+][C@@H]1CCCNC1=O ZINC001268577316 785449083 /nfs/dbraw/zinc/44/90/83/785449083.db2.gz UELGBRQWJAUQAF-VMZHVLLKSA-N 1 0 333.414 -2.419 20 0 EAADRO CNS(=O)(=O)NCC(=O)NC/C=C\C[NH2+][C@H]1CCCNC1=O ZINC001268577317 785450130 /nfs/dbraw/zinc/45/01/30/785450130.db2.gz UELGBRQWJAUQAF-ZMWSMAPVSA-N 1 0 333.414 -2.419 20 0 EAADRO Cn1cnn(CCC(=O)NC/C=C\C[NH2+]Cc2cnnn2C)c1=O ZINC001268577487 785449452 /nfs/dbraw/zinc/44/94/52/785449452.db2.gz 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/nfs/dbraw/zinc/45/11/97/785451197.db2.gz KTKYNXBLAOUYTN-NHZBNJEXSA-N 1 0 339.396 -1.380 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1CNC(=O)N1)NCC(F)(F)F ZINC001268582811 785451874 /nfs/dbraw/zinc/45/18/74/785451874.db2.gz BPZVYAYZBZTICG-CMLYIYFCSA-N 1 0 337.302 -1.392 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@H]1CNC(=O)N1)NCC(F)(F)F ZINC001268582818 785451155 /nfs/dbraw/zinc/45/11/55/785451155.db2.gz BPZVYAYZBZTICG-FHKCNRDCSA-N 1 0 337.302 -1.392 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1CNC(=O)N1)NCC(F)(F)F ZINC001268582819 785451296 /nfs/dbraw/zinc/45/12/96/785451296.db2.gz BPZVYAYZBZTICG-JQSQLHRZSA-N 1 0 337.302 -1.392 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@H]1CNC(=O)N1)NCC(F)(F)F ZINC001268582821 785451807 /nfs/dbraw/zinc/45/18/07/785451807.db2.gz BPZVYAYZBZTICG-SLYZXXNYSA-N 1 0 337.302 -1.392 20 0 EAADRO NC(=O)C1(C(=O)NC/C=C/C[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001268583407 785451617 /nfs/dbraw/zinc/45/16/17/785451617.db2.gz AAYSGYPKNNQZHI-OWOJBTEDSA-N 1 0 344.437 -1.451 20 0 EAADRO 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CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@]1(C)CCNC1=O ZINC001268589996 785453634 /nfs/dbraw/zinc/45/36/34/785453634.db2.gz BIMFLZKZNCWWQC-FOSCPCJNSA-N 1 0 339.396 -1.380 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@]1(C)CCNC1=O ZINC001268589997 785452668 /nfs/dbraw/zinc/45/26/68/785452668.db2.gz BIMFLZKZNCWWQC-MBVDDHJVSA-N 1 0 339.396 -1.380 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@]1(C)CCNC1=O ZINC001268589998 785452743 /nfs/dbraw/zinc/45/27/43/785452743.db2.gz BIMFLZKZNCWWQC-RGDDUWESSA-N 1 0 339.396 -1.380 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@]1(C)CCNC1=O ZINC001268589999 785453219 /nfs/dbraw/zinc/45/32/19/785453219.db2.gz BIMFLZKZNCWWQC-XVWMLYKFSA-N 1 0 339.396 -1.380 20 0 EAADRO O=C(NC/C=C/C[NH2+][C@@H]1CCNC1=O)[C@H]1CCc2nnnn2CC1 ZINC001268594100 785455019 /nfs/dbraw/zinc/45/50/19/785455019.db2.gz LENPQAKOTNVZQC-FGXISPTISA-N 1 0 333.396 -1.224 20 0 EAADRO O=C(NC/C=C\C[NH2+][C@@H]1CCNC1=O)[C@@H]1CCc2nnnn2CC1 ZINC001268594101 785455459 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EAADRO Cn1cc(C[NH2+]C/C=C/CNC(=O)CN2C(=O)C(=O)N(C)C2=O)cn1 ZINC001268596551 785458022 /nfs/dbraw/zinc/45/80/22/785458022.db2.gz DCIBFLQICXPIEZ-ONEGZZNKSA-N 1 0 348.363 -1.397 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cc(Cl)cn1 ZINC001268596640 785458426 /nfs/dbraw/zinc/45/84/26/785458426.db2.gz JZMYBZZHQVLIMB-OWOJBTEDSA-N 1 0 328.760 -1.007 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cc(Cl)cn1 ZINC001268596642 785458585 /nfs/dbraw/zinc/45/85/85/785458585.db2.gz JZMYBZZHQVLIMB-UPHRSURJSA-N 1 0 328.760 -1.007 20 0 EAADRO Cn1cc(C(=O)NC/C=C/C[NH2+][C@@H]2CCCNC2=O)c(=O)n(C)c1=O ZINC001268596861 785458632 /nfs/dbraw/zinc/45/86/32/785458632.db2.gz DOEODMMOXJRGAQ-AAOUONPWSA-N 1 0 349.391 -1.762 20 0 EAADRO Cn1cc(C(=O)NC/C=C\C[NH2+][C@H]2CCCNC2=O)c(=O)n(C)c1=O ZINC001268596864 785458496 /nfs/dbraw/zinc/45/84/96/785458496.db2.gz DOEODMMOXJRGAQ-MVZIDQBPSA-N 1 0 349.391 -1.762 20 0 EAADRO Cn1cc(C(=O)NC/C=C/C[NH2+][C@H]2CCCNC2=O)c(=O)n(C)c1=O ZINC001268596867 785458251 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20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001268679707 785465833 /nfs/dbraw/zinc/46/58/33/785465833.db2.gz NOYBUEQRYTVRJC-VIFPVBQESA-N 1 0 331.398 -1.219 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H](C)n1cncn1 ZINC001268681044 785466274 /nfs/dbraw/zinc/46/62/74/785466274.db2.gz AYNPOXMCUAOYPY-QWRGUYRKSA-N 1 0 332.430 -1.175 20 0 EAADRO C[C@H](C(=O)N[C@@H](C)C[NH2+]CCN(C)S(C)(=O)=O)n1cncn1 ZINC001268681048 785466086 /nfs/dbraw/zinc/46/60/86/785466086.db2.gz AYNPOXMCUAOYPY-WDEREUQCSA-N 1 0 332.430 -1.175 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H](C)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001268681447 785466548 /nfs/dbraw/zinc/46/65/48/785466548.db2.gz FJTHWJZOMHVCBV-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001268682853 785466234 /nfs/dbraw/zinc/46/62/34/785466234.db2.gz ULFGUQDSQWWTNR-JTQLQIEISA-N 1 0 339.396 -1.796 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)C(=O)C(C)(C)C ZINC001268683286 785466323 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341.368 -1.481 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)c1cn(C)nn1 ZINC001268685527 785466828 /nfs/dbraw/zinc/46/68/28/785466828.db2.gz OEZFMDTVCJDBEQ-VIFPVBQESA-N 1 0 337.384 -1.147 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1cnnn1C ZINC001268685826 785466492 /nfs/dbraw/zinc/46/64/92/785466492.db2.gz TXGKSDKUNBSPGU-JTQLQIEISA-N 1 0 330.414 -1.442 20 0 EAADRO C[C@@H](C[NH2+]CCc1ccnn1C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001268687037 785466751 /nfs/dbraw/zinc/46/67/51/785466751.db2.gz WYHMOKWCFUZALZ-JTQLQIEISA-N 1 0 334.384 -1.553 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001268687266 785466756 /nfs/dbraw/zinc/46/67/56/785466756.db2.gz LZZSBTKFKMVTMB-JTQLQIEISA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1ccnn1C ZINC001268687813 785466222 /nfs/dbraw/zinc/46/62/22/785466222.db2.gz HKAXLMFTGHRUTN-NSHDSACASA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1ccn(C)n1 ZINC001268687896 785466451 /nfs/dbraw/zinc/46/64/51/785466451.db2.gz LOGMCGMCEWDFRV-NSHDSACASA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)CNC(=O)N1CCCC1 ZINC001268688211 785467806 /nfs/dbraw/zinc/46/78/06/785467806.db2.gz APTYNVMBYIRDMK-NSHDSACASA-N 1 0 349.457 -1.565 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268688495 785468137 /nfs/dbraw/zinc/46/81/37/785468137.db2.gz BSZLDNTWZCYVEI-QWRGUYRKSA-N 1 0 334.442 -1.166 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268688496 785467802 /nfs/dbraw/zinc/46/78/02/785467802.db2.gz BSZLDNTWZCYVEI-WDEREUQCSA-N 1 0 334.442 -1.166 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)CNC(=O)N1CCCC1 ZINC001268688747 785467588 /nfs/dbraw/zinc/46/75/88/785467588.db2.gz KZMANKVYTYYHJV-LBPRGKRZSA-N 1 0 340.428 -1.089 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)C[NH2+]CCCN2C(=O)CNC2=O)[nH]1 ZINC001268688886 785466724 /nfs/dbraw/zinc/46/67/24/785466724.db2.gz NQQZAHCQCLSHNF-VIFPVBQESA-N 1 0 337.384 -1.308 20 0 EAADRO C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1)N1C(=O)CCC1=O ZINC001268689562 785467756 /nfs/dbraw/zinc/46/77/56/785467756.db2.gz ZKXWZHSIMSNBAZ-DTWKUNHWSA-N 1 0 338.368 -1.760 20 0 EAADRO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001268689563 785468181 /nfs/dbraw/zinc/46/81/81/785468181.db2.gz ZKXWZHSIMSNBAZ-IUCAKERBSA-N 1 0 338.368 -1.760 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)c1cnc2n1CCOC2 ZINC001268689616 785467613 /nfs/dbraw/zinc/46/76/13/785467613.db2.gz BIKPNCRXCAYPMW-UWVGGRQHSA-N 1 0 335.364 -1.074 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)c1cnc2n1CCOC2 ZINC001268689617 785467921 /nfs/dbraw/zinc/46/79/21/785467921.db2.gz BIKPNCRXCAYPMW-VHSXEESVSA-N 1 0 335.364 -1.074 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)C(C)(C)C(N)=O ZINC001268689874 785467984 /nfs/dbraw/zinc/46/79/84/785467984.db2.gz IBEMZWRJGHTISF-VIFPVBQESA-N 1 0 341.412 -1.077 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268689979 785467398 /nfs/dbraw/zinc/46/73/98/785467398.db2.gz GHQGQURFUYZSSV-UWVGGRQHSA-N 1 0 327.385 -1.454 20 0 EAADRO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@H]1CCCNC1=O ZINC001268690126 785467992 /nfs/dbraw/zinc/46/79/92/785467992.db2.gz MHFXVEUHXVQCSC-AVGNSLFASA-N 1 0 340.424 -1.410 20 0 EAADRO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@@H]1CCCNC1=O ZINC001268690127 785467626 /nfs/dbraw/zinc/46/76/26/785467626.db2.gz MHFXVEUHXVQCSC-RWMBFGLXSA-N 1 0 340.424 -1.410 20 0 EAADRO C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268690168 785468283 /nfs/dbraw/zinc/46/82/83/785468283.db2.gz KIUMJKPTVIIKSJ-NRPADANISA-N 1 0 325.369 -1.654 20 0 EAADRO C[C@@H]([NH2+]C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)NC1CC1 ZINC001268690169 785467719 /nfs/dbraw/zinc/46/77/19/785467719.db2.gz KIUMJKPTVIIKSJ-XKSSXDPKSA-N 1 0 325.369 -1.654 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@H]1CCCNC1=O ZINC001268690243 785467784 /nfs/dbraw/zinc/46/77/84/785467784.db2.gz OGRMXRPIPXXIII-AAEUAGOBSA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@@H]1CCCNC1=O ZINC001268690244 785468150 /nfs/dbraw/zinc/46/81/50/785468150.db2.gz OGRMXRPIPXXIII-WCQYABFASA-N 1 0 340.424 -1.098 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)C(C)(C)C(N)=O ZINC001268690450 785467700 /nfs/dbraw/zinc/46/77/00/785467700.db2.gz PYDHTZIPJQMGAA-QWRGUYRKSA-N 1 0 328.413 -1.161 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)C(C)(C)C(N)=O ZINC001268690452 785468226 /nfs/dbraw/zinc/46/82/26/785468226.db2.gz PYDHTZIPJQMGAA-WDEREUQCSA-N 1 0 328.413 -1.161 20 0 EAADRO COc1cncc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001268690468 785467998 /nfs/dbraw/zinc/46/79/98/785467998.db2.gz PLXKPILDSQMHHH-WPRPVWTQSA-N 1 0 336.352 -1.322 20 0 EAADRO CC[C@]1(C(=O)N[C@@H](C)C[NH2+]CCN(C)S(C)(=O)=O)CCNC1=O ZINC001268690647 785467358 /nfs/dbraw/zinc/46/73/58/785467358.db2.gz SLKNIMRTUKHSQY-FZMZJTMJSA-N 1 0 348.469 -1.112 20 0 EAADRO 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333.410 -1.336 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H](C)S(C)(=O)=O ZINC001268693323 785467948 /nfs/dbraw/zinc/46/79/48/785467948.db2.gz XNDBLPJAVJSTPF-UWVGGRQHSA-N 1 0 343.471 -1.595 20 0 EAADRO C[C@H](C(=O)N[C@@H](C)C[NH2+]CCN(C)S(C)(=O)=O)S(C)(=O)=O ZINC001268693324 785468085 /nfs/dbraw/zinc/46/80/85/785468085.db2.gz XNDBLPJAVJSTPF-VHSXEESVSA-N 1 0 343.471 -1.595 20 0 EAADRO C[C@H](C(=O)N[C@@H](C)C[NH2+]CCNS(C)(=O)=O)S(C)(=O)=O ZINC001268693367 785467578 /nfs/dbraw/zinc/46/75/78/785467578.db2.gz ZHNHTDFMUOIRSQ-DTWKUNHWSA-N 1 0 329.444 -1.937 20 0 EAADRO C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H](C)S(C)(=O)=O ZINC001268693368 785468043 /nfs/dbraw/zinc/46/80/43/785468043.db2.gz ZHNHTDFMUOIRSQ-IUCAKERBSA-N 1 0 329.444 -1.937 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CCCNC1=O ZINC001268693741 785468007 /nfs/dbraw/zinc/46/80/07/785468007.db2.gz CQZBEFSRPYQYLD-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@@H]1CCC(=O)NC1 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325.369 -1.699 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CN1CCCNC1=O ZINC001268694279 785467653 /nfs/dbraw/zinc/46/76/53/785467653.db2.gz KBXTZVZMODGGLP-VHSXEESVSA-N 1 0 325.369 -1.699 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001268696073 785467439 /nfs/dbraw/zinc/46/74/39/785467439.db2.gz FOWAIUIJNQIHON-GDPRMGEGSA-N 1 0 348.363 -1.735 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001268696079 785468051 /nfs/dbraw/zinc/46/80/51/785468051.db2.gz FOWAIUIJNQIHON-LSJOCFKGSA-N 1 0 348.363 -1.735 20 0 EAADRO COc1c[nH]c(C(=O)N[C@@H](C)C[NH2+]CCNS(C)(=O)=O)cc1=O ZINC001268696212 785467881 /nfs/dbraw/zinc/46/78/81/785467881.db2.gz JTTQGNFSGWKBKG-VIFPVBQESA-N 1 0 346.409 -1.359 20 0 EAADRO COc1c[nH]c(C(=O)N[C@@H](C)C[NH2+][C@@H]2CCC(=O)NC2=O)cc1=O ZINC001268696545 785468126 /nfs/dbraw/zinc/46/81/26/785468126.db2.gz RHGLJKWHMIRLNK-DTWKUNHWSA-N 1 0 336.348 -1.103 20 0 EAADRO 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C[C@@H](C[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@H]1CNC(=O)N1 ZINC001268702155 785468211 /nfs/dbraw/zinc/46/82/11/785468211.db2.gz VNGJICAGXOTHDC-JGVFFNPUSA-N 1 0 339.318 -1.169 20 0 EAADRO C[C@@H](C[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001268702156 785468064 /nfs/dbraw/zinc/46/80/64/785468064.db2.gz VNGJICAGXOTHDC-YUMQZZPRSA-N 1 0 339.318 -1.169 20 0 EAADRO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268704477 785468118 /nfs/dbraw/zinc/46/81/18/785468118.db2.gz FEYBLEZUDBZCFJ-AEJSXWLSSA-N 1 0 325.369 -1.856 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001268705420 785467855 /nfs/dbraw/zinc/46/78/55/785467855.db2.gz HJXZXCLONKNVPW-KWQFWETISA-N 1 0 337.384 -1.413 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001268705822 785469017 /nfs/dbraw/zinc/46/90/17/785469017.db2.gz NJWXHHAYIGTWSW-DTWKUNHWSA-N 1 0 349.413 -2.718 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001268705823 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336.458 -1.361 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268771979 785474868 /nfs/dbraw/zinc/47/48/68/785474868.db2.gz NUGMRWNJGLHMKK-GHMZBOCLSA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268771983 785474816 /nfs/dbraw/zinc/47/48/16/785474816.db2.gz NUGMRWNJGLHMKK-MNOVXSKESA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268771985 785475138 /nfs/dbraw/zinc/47/51/38/785475138.db2.gz NUGMRWNJGLHMKK-QWRGUYRKSA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268771987 785475263 /nfs/dbraw/zinc/47/52/63/785475263.db2.gz NUGMRWNJGLHMKK-WDEREUQCSA-N 1 0 339.396 -2.305 20 0 EAADRO COCC(=O)N(C)CCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001268772887 785475292 /nfs/dbraw/zinc/47/52/92/785475292.db2.gz YLIDAAVXLSQEPE-UHFFFAOYSA-N 1 0 328.413 -1.238 20 0 EAADRO CC(=O)NCC(=O)N(C)CCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001268776134 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Cc1cc(C(=O)N(C)CCC[NH2+]CC(=O)N2CCNC(=O)C2)on1 ZINC001268778283 785475287 /nfs/dbraw/zinc/47/52/87/785475287.db2.gz FOMCNVCYRAEEIP-UHFFFAOYSA-N 1 0 337.380 -1.007 20 0 EAADRO CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1COCCO1 ZINC001268781311 785474687 /nfs/dbraw/zinc/47/46/87/785474687.db2.gz BFJRYSHLDZFDDT-LLVKDONJSA-N 1 0 328.369 -1.608 20 0 EAADRO CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1COCCO1 ZINC001268781312 785475389 /nfs/dbraw/zinc/47/53/89/785475389.db2.gz BFJRYSHLDZFDDT-NSHDSACASA-N 1 0 328.369 -1.608 20 0 EAADRO CN(CCC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1cnns1 ZINC001268781542 785475105 /nfs/dbraw/zinc/47/51/05/785475105.db2.gz BCJPUNHPDNNTSJ-UHFFFAOYSA-N 1 0 340.409 -1.452 20 0 EAADRO C[C@@H]([NH2+]CCCN(C)C(=O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001268781638 785475346 /nfs/dbraw/zinc/47/53/46/785475346.db2.gz CZOYIVJKJMWBIE-SECBINFHSA-N 1 0 327.385 -1.466 20 0 EAADRO C[C@H]([NH2+]CCCN(C)C(=O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001268781640 785474961 /nfs/dbraw/zinc/47/49/61/785474961.db2.gz CZOYIVJKJMWBIE-VIFPVBQESA-N 1 0 327.385 -1.466 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CNC(=O)OC ZINC001268781880 785475281 /nfs/dbraw/zinc/47/52/81/785475281.db2.gz IJQLGCACQMZSHB-UHFFFAOYSA-N 1 0 331.373 -1.374 20 0 EAADRO Cc1ncncc1C(=O)N(C)CCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268781881 785475378 /nfs/dbraw/zinc/47/53/78/785475378.db2.gz ILZQFQXJKGOXMI-UHFFFAOYSA-N 1 0 348.407 -1.205 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)=O ZINC001268782379 785475252 /nfs/dbraw/zinc/47/52/52/785475252.db2.gz UOTJUAJTODVHKR-JTQLQIEISA-N 1 0 329.401 -1.253 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)=O ZINC001268782380 785474500 /nfs/dbraw/zinc/47/45/00/785474500.db2.gz UOTJUAJTODVHKR-SNVBAGLBSA-N 1 0 329.401 -1.253 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CNC(=O)C1CC1 ZINC001268783206 785475173 /nfs/dbraw/zinc/47/51/73/785475173.db2.gz ZXQJHQRMEROSQJ-UHFFFAOYSA-N 1 0 327.385 -1.594 20 0 EAADRO CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCC(=O)N1 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20 0 EAADRO CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)c1cnn(C)c1N ZINC001268787468 785474660 /nfs/dbraw/zinc/47/46/60/785474660.db2.gz HDFTVRYQISXZKT-UHFFFAOYSA-N 1 0 332.430 -1.397 20 0 EAADRO CN(CCC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1cc[nH]c(=O)c1 ZINC001268787899 785474784 /nfs/dbraw/zinc/47/47/84/785474784.db2.gz VOKQNXRZLWXXLF-UHFFFAOYSA-N 1 0 349.391 -1.203 20 0 EAADRO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001268788152 785475416 /nfs/dbraw/zinc/47/54/16/785475416.db2.gz XJKPKEGRLNIMHA-GFCCVEGCSA-N 1 0 325.413 -1.024 20 0 EAADRO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001268788154 785475266 /nfs/dbraw/zinc/47/52/66/785475266.db2.gz XJKPKEGRLNIMHA-LBPRGKRZSA-N 1 0 325.413 -1.024 20 0 EAADRO CCNC(=O)CC(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001268788377 785474529 /nfs/dbraw/zinc/47/45/29/785474529.db2.gz CSPCGRNSZADTAB-JTQLQIEISA-N 1 0 329.401 -1.205 20 0 EAADRO CCNC(=O)CC(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001268788378 785475239 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Cc1ccnc(C(=O)N(C)CCC[NH2+]CC(=O)N2CCNC(=O)C2)n1 ZINC001268790431 785475370 /nfs/dbraw/zinc/47/53/70/785475370.db2.gz OLTZOFSOAWOKDV-UHFFFAOYSA-N 1 0 348.407 -1.205 20 0 EAADRO CNC(=O)NCCC(=O)N(C)CCC[NH2+]CC(=O)N1CCOCC1 ZINC001268790643 785475268 /nfs/dbraw/zinc/47/52/68/785475268.db2.gz HESWILQKZQXDRJ-UHFFFAOYSA-N 1 0 343.428 -1.398 20 0 EAADRO CN(CCC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1ncn(C)n1 ZINC001268790658 785475248 /nfs/dbraw/zinc/47/52/48/785475248.db2.gz HQQKWCIBMJYKQU-UHFFFAOYSA-N 1 0 337.384 -1.191 20 0 EAADRO CN(CCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C(=O)c1ncc[nH]1 ZINC001268790694 785475315 /nfs/dbraw/zinc/47/53/15/785475315.db2.gz AVVKJSJNAPEMEC-LLVKDONJSA-N 1 0 337.380 -1.029 20 0 EAADRO CN(CCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C(=O)c1ncc[nH]1 ZINC001268790698 785474561 /nfs/dbraw/zinc/47/45/61/785474561.db2.gz AVVKJSJNAPEMEC-NSHDSACASA-N 1 0 337.380 -1.029 20 0 EAADRO CNS(=O)(=O)CCC(=O)N(C)CCC[NH2+][C@@H]1CCCNC1=O ZINC001268790937 785475142 /nfs/dbraw/zinc/47/51/42/785475142.db2.gz JVTISHRVMIRIIC-LLVKDONJSA-N 1 0 334.442 -1.358 20 0 EAADRO CNS(=O)(=O)CCC(=O)N(C)CCC[NH2+][C@H]1CCCNC1=O ZINC001268790938 785475033 /nfs/dbraw/zinc/47/50/33/785475033.db2.gz JVTISHRVMIRIIC-NSHDSACASA-N 1 0 334.442 -1.358 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)c1cn(C)nn1 ZINC001268791089 785475215 /nfs/dbraw/zinc/47/52/15/785475215.db2.gz HXZDDVZAFIMNQJ-UHFFFAOYSA-N 1 0 325.373 -1.288 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001268792203 785475246 /nfs/dbraw/zinc/47/52/46/785475246.db2.gz YSJOZGBHEODSHL-SECBINFHSA-N 1 0 339.400 -1.062 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001268792204 785474417 /nfs/dbraw/zinc/47/44/17/785474417.db2.gz YSJOZGBHEODSHL-VIFPVBQESA-N 1 0 339.400 -1.062 20 0 EAADRO CN(CCC[NH2+]CCN1CCCS1(=O)=O)C(=O)c1cn(C)nn1 ZINC001268792565 785474489 /nfs/dbraw/zinc/47/44/89/785474489.db2.gz XHPWLDIMDJOXGX-UHFFFAOYSA-N 1 0 344.441 -1.098 20 0 EAADRO CN(CCC[NH2+]Cc1ncnn1C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001268793174 785475359 /nfs/dbraw/zinc/47/53/59/785475359.db2.gz KFHFEXSOHXFQTE-UHFFFAOYSA-N 1 0 335.372 -1.856 20 0 EAADRO CN(CCC[NH2+]Cc1cnns1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001268793489 785474544 /nfs/dbraw/zinc/47/45/44/785474544.db2.gz QIUHTPZTBKWJBZ-UHFFFAOYSA-N 1 0 338.397 -1.133 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001268793840 785475273 /nfs/dbraw/zinc/47/52/73/785475273.db2.gz AILSOSYRKGLHRB-UHFFFAOYSA-N 1 0 348.425 -1.685 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)Cn1ncnn1 ZINC001268794149 785474426 /nfs/dbraw/zinc/47/44/26/785474426.db2.gz XKBQJMAYRLDNOX-UHFFFAOYSA-N 1 0 338.372 -1.901 20 0 EAADRO CCC(=O)N[C@@H](C)C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001268794661 785474641 /nfs/dbraw/zinc/47/46/41/785474641.db2.gz WABDVJTTWILGFZ-JTQLQIEISA-N 1 0 329.401 -1.205 20 0 EAADRO CCC(=O)N[C@H](C)C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001268794662 785474979 /nfs/dbraw/zinc/47/49/79/785474979.db2.gz WABDVJTTWILGFZ-SNVBAGLBSA-N 1 0 329.401 -1.205 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001268794748 785476457 /nfs/dbraw/zinc/47/64/57/785476457.db2.gz YHQLUIABXJBZBJ-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001268794749 785476472 /nfs/dbraw/zinc/47/64/72/785476472.db2.gz YHQLUIABXJBZBJ-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001268794750 785476512 /nfs/dbraw/zinc/47/65/12/785476512.db2.gz YHQLUIABXJBZBJ-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001268794751 785476107 /nfs/dbraw/zinc/47/61/07/785476107.db2.gz YHQLUIABXJBZBJ-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H]([NH2+]CCCN(C)C(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001268794991 785476409 /nfs/dbraw/zinc/47/64/09/785476409.db2.gz BUAUAWLSAFEFMT-JTQLQIEISA-N 1 0 347.445 -1.399 20 0 EAADRO C[C@@H]([NH2+]CCCN(C)C(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001268794992 785476462 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CN(CCC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001268795382 785476193 /nfs/dbraw/zinc/47/61/93/785476193.db2.gz IPNIUXDQBFTBPD-LBPRGKRZSA-N 1 0 348.469 -1.206 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001268795651 785476330 /nfs/dbraw/zinc/47/63/30/785476330.db2.gz KGABZTQWUDZDAD-JTQLQIEISA-N 1 0 327.385 -1.642 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001268795652 785476613 /nfs/dbraw/zinc/47/66/13/785476613.db2.gz KGABZTQWUDZDAD-SNVBAGLBSA-N 1 0 327.385 -1.642 20 0 EAADRO CN(CCC[NH2+]Cc1nnnn1C)C(=O)CN(C)S(C)(=O)=O ZINC001268795685 785475902 /nfs/dbraw/zinc/47/59/02/785475902.db2.gz KSERXFXHGYIGHK-UHFFFAOYSA-N 1 0 333.418 -1.960 20 0 EAADRO CN(CCC[NH2+]Cc1cn(C)nn1)C(=O)CN(C)S(C)(=O)=O ZINC001268796031 785476347 /nfs/dbraw/zinc/47/63/47/785476347.db2.gz ONTGPLTTWUIBSJ-UHFFFAOYSA-N 1 0 332.430 -1.355 20 0 EAADRO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CCNS(C)(=O)=O ZINC001268796170 785475074 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HUZLPVAFEMBTHI-ZDUSSCGKSA-N 1 0 340.424 -1.191 20 0 EAADRO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268798358 785476688 /nfs/dbraw/zinc/47/66/88/785476688.db2.gz GXNFMIYACWLBJH-JTQLQIEISA-N 1 0 325.369 -1.745 20 0 EAADRO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268799139 785475947 /nfs/dbraw/zinc/47/59/47/785475947.db2.gz UWIQVCNLIQUQES-JTQLQIEISA-N 1 0 340.384 -1.952 20 0 EAADRO CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCCNC1=O ZINC001268799441 785475936 /nfs/dbraw/zinc/47/59/36/785475936.db2.gz ZLOIOTXXERKKRS-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCCNC1=O ZINC001268799442 785476046 /nfs/dbraw/zinc/47/60/46/785476046.db2.gz ZLOIOTXXERKKRS-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CN(CCC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)C(C)(C)C(N)=O ZINC001268799461 785476564 /nfs/dbraw/zinc/47/65/64/785476564.db2.gz ZVHBBXKXTJRVKJ-UHFFFAOYSA-N 1 0 341.412 -2.106 20 0 EAADRO C[C@@H]([NH2+]CCCN(C)C(=O)C[C@H]1CCN(C)C1=O)C(=O)NC(N)=O 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MTXUNBQKEAFHTF-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001268802015 785476286 /nfs/dbraw/zinc/47/62/86/785476286.db2.gz MTXUNBQKEAFHTF-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO Cc1nnc(C[NH2+]CCCN(C)C(=O)CN2CCN(C)C(=O)C2)[nH]1 ZINC001268802476 785476355 /nfs/dbraw/zinc/47/63/55/785476355.db2.gz UEEYLHAZGVIQJI-UHFFFAOYSA-N 1 0 337.428 -1.175 20 0 EAADRO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CCS(C)(=O)=O ZINC001268802513 785476209 /nfs/dbraw/zinc/47/62/09/785476209.db2.gz RAMNNMTWOQHSHA-JTQLQIEISA-N 1 0 333.410 -1.336 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CCS(C)(=O)=O ZINC001268802514 785476531 /nfs/dbraw/zinc/47/65/31/785476531.db2.gz RAMNNMTWOQHSHA-SNVBAGLBSA-N 1 0 333.410 -1.336 20 0 EAADRO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)CC1CS(=O)(=O)C1 ZINC001268802767 785476477 /nfs/dbraw/zinc/47/64/77/785476477.db2.gz WNDZCWBMSSSLAR-UHFFFAOYSA-N 1 0 346.453 -1.116 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CCS(C)(=O)=O ZINC001268803351 785476726 /nfs/dbraw/zinc/47/67/26/785476726.db2.gz ZWBVWCCTDQTFOF-UHFFFAOYSA-N 1 0 336.414 -1.685 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001268803695 785476384 /nfs/dbraw/zinc/47/63/84/785476384.db2.gz OQHZXLWPSZFFBW-UHFFFAOYSA-N 1 0 341.456 -1.323 20 0 EAADRO CN(CCC[NH2+]Cc1cnn(C)n1)C(=O)CN1CCN(C)C(=O)C1 ZINC001268803722 785476447 /nfs/dbraw/zinc/47/64/47/785476447.db2.gz PBHISRXVYFJTQL-UHFFFAOYSA-N 1 0 337.428 -1.473 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CN1CCCCC1=O ZINC001268804427 785475964 /nfs/dbraw/zinc/47/59/64/785475964.db2.gz BNTNDXJQIVESEF-UHFFFAOYSA-N 1 0 341.412 -1.107 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)CN1CCCNC1=O ZINC001268804475 785476628 /nfs/dbraw/zinc/47/66/28/785476628.db2.gz CKORTRGTQWSUPT-UHFFFAOYSA-N 1 0 328.373 -1.965 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001268804619 785476492 /nfs/dbraw/zinc/47/64/92/785476492.db2.gz JTEAVJXLEMOYPV-UHFFFAOYSA-N 1 0 337.380 -1.334 20 0 EAADRO CN(CCC[NH2+]Cc1nnnn1C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001268805176 785476224 /nfs/dbraw/zinc/47/62/24/785476224.db2.gz UOZYJTSSHPWILZ-UHFFFAOYSA-N 1 0 336.356 -1.889 20 0 EAADRO CN(CCC[NH2+]Cc1cn(C)nn1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001268805323 785476115 /nfs/dbraw/zinc/47/61/15/785476115.db2.gz VSYGXOUJTNQWLG-UHFFFAOYSA-N 1 0 335.368 -1.284 20 0 EAADRO COc1cc(C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)nn1C ZINC001268806235 785476518 /nfs/dbraw/zinc/47/65/18/785476518.db2.gz RVZNQDYTKBWSTO-UHFFFAOYSA-N 1 0 326.357 -1.325 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001268806266 785476603 /nfs/dbraw/zinc/47/66/03/785476603.db2.gz KSFLFLXOOCFBKM-JTQLQIEISA-N 1 0 348.425 -1.556 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001268806282 785475834 /nfs/dbraw/zinc/47/58/34/785475834.db2.gz KSFLFLXOOCFBKM-SNVBAGLBSA-N 1 0 348.425 -1.556 20 0 EAADRO CN(CCC[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001268806600 785476061 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CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C(N)=O ZINC001268831001 785477948 /nfs/dbraw/zinc/47/79/48/785477948.db2.gz NLVLXVKEHNAMKK-JTQLQIEISA-N 1 0 329.401 -1.220 20 0 EAADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C(N)=O ZINC001268831010 785478156 /nfs/dbraw/zinc/47/81/56/785478156.db2.gz NLVLXVKEHNAMKK-SNVBAGLBSA-N 1 0 329.401 -1.220 20 0 EAADRO CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001268831111 785477639 /nfs/dbraw/zinc/47/76/39/785477639.db2.gz OWJZRIZVMUPJIM-GHMZBOCLSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001268831113 785477933 /nfs/dbraw/zinc/47/79/33/785477933.db2.gz OWJZRIZVMUPJIM-MNOVXSKESA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001268831115 785477750 /nfs/dbraw/zinc/47/77/50/785477750.db2.gz OWJZRIZVMUPJIM-QWRGUYRKSA-N 1 0 332.426 -1.459 20 0 EAADRO CN(CCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001268831118 785477562 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CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)c1cccc(=O)n1C ZINC001268843238 785480631 /nfs/dbraw/zinc/48/06/31/785480631.db2.gz NGZDZNDGEWNYEC-UHFFFAOYSA-N 1 0 337.380 -1.107 20 0 EAADRO CC[C@H](C(=O)NCC1CN(CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001268843262 785480320 /nfs/dbraw/zinc/48/03/20/785480320.db2.gz GGFWFMZRESYIEN-GFCCVEGCSA-N 1 0 325.413 -1.074 20 0 EAADRO O=C(NCC1C[NH+](CCOCCO)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001268844274 785480286 /nfs/dbraw/zinc/48/02/86/785480286.db2.gz ORUMJXSBXVBOSI-GFCCVEGCSA-N 1 0 339.396 -1.397 20 0 EAADRO O=C(NCC1C[NH+](CCOCCO)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001268844275 785480557 /nfs/dbraw/zinc/48/05/57/785480557.db2.gz ORUMJXSBXVBOSI-LBPRGKRZSA-N 1 0 339.396 -1.397 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268847938 785480096 /nfs/dbraw/zinc/48/00/96/785480096.db2.gz OZGQRJOQSVAOBE-NWDGAFQWSA-N 1 0 328.413 -1.064 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268848249 785480197 /nfs/dbraw/zinc/48/01/97/785480197.db2.gz VHUZTRVITDTHDB-MNOVXSKESA-N 1 0 339.396 -1.466 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268848250 785480679 /nfs/dbraw/zinc/48/06/79/785480679.db2.gz VIVRRABNHZWFTI-AXFHLTTASA-N 1 0 341.412 -1.220 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268848251 785480047 /nfs/dbraw/zinc/48/00/47/785480047.db2.gz VIVRRABNHZWFTI-MXWKQRLJSA-N 1 0 341.412 -1.220 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268848344 785480173 /nfs/dbraw/zinc/48/01/73/785480173.db2.gz YTFSXHSJNBSJSE-GRYCIOLGSA-N 1 0 326.397 -1.312 20 0 EAADRO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268848345 785480605 /nfs/dbraw/zinc/48/06/05/785480605.db2.gz YTFSXHSJNBSJSE-SDDRHHMPSA-N 1 0 326.397 -1.312 20 0 EAADRO NC(=O)N1CCC[C@@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001268850162 785479872 /nfs/dbraw/zinc/47/98/72/785479872.db2.gz QDVPPPZKWUJYJY-CYBMUJFWSA-N 1 0 328.413 -1.166 20 0 EAADRO NC(=O)N1CCC[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001268850163 785480593 /nfs/dbraw/zinc/48/05/93/785480593.db2.gz QDVPPPZKWUJYJY-ZDUSSCGKSA-N 1 0 328.413 -1.166 20 0 EAADRO CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001268852405 785480239 /nfs/dbraw/zinc/48/02/39/785480239.db2.gz MHMPVCNVZGHVSF-MNOVXSKESA-N 1 0 338.412 -1.052 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+]CC(=O)N1CCCC1 ZINC001268860431 785480571 /nfs/dbraw/zinc/48/05/71/785480571.db2.gz DFVCJHLXMIOWTM-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+]CC(=O)N1CCCC1 ZINC001268860433 785481999 /nfs/dbraw/zinc/48/19/99/785481999.db2.gz DFVCJHLXMIOWTM-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001268860545 785481171 /nfs/dbraw/zinc/48/11/71/785481171.db2.gz FTKYLSQOEFYRPO-GHMZBOCLSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001268860546 785481570 /nfs/dbraw/zinc/48/15/70/785481570.db2.gz FTKYLSQOEFYRPO-MNOVXSKESA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001268860547 785481325 /nfs/dbraw/zinc/48/13/25/785481325.db2.gz FTKYLSQOEFYRPO-QWRGUYRKSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001268860549 785482063 /nfs/dbraw/zinc/48/20/63/785482063.db2.gz FTKYLSQOEFYRPO-WDEREUQCSA-N 1 0 334.442 -1.407 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268861184 785482067 /nfs/dbraw/zinc/48/20/67/785482067.db2.gz QRVTXWRMKXLDAK-NXEZZACHSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001268861185 785481805 /nfs/dbraw/zinc/48/18/05/785481805.db2.gz QRVTXWRMKXLDAK-UWVGGRQHSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268861186 785481392 /nfs/dbraw/zinc/48/13/92/785481392.db2.gz QRVTXWRMKXLDAK-VHSXEESVSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001268861240 785481272 /nfs/dbraw/zinc/48/12/72/785481272.db2.gz QRVTXWRMKXLDAK-ZJUUUORDSA-N 1 0 348.425 -1.833 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268864775 785482078 /nfs/dbraw/zinc/48/20/78/785482078.db2.gz MZENNBHLBGRQOR-MNOVXSKESA-N 1 0 341.412 -1.063 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268864776 785481654 /nfs/dbraw/zinc/48/16/54/785481654.db2.gz MZENNBHLBGRQOR-QWRGUYRKSA-N 1 0 341.412 -1.063 20 0 EAADRO CN(CCC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268865128 785481594 /nfs/dbraw/zinc/48/15/94/785481594.db2.gz RVPGULPVTMAAKI-UWVGGRQHSA-N 1 0 325.369 -1.699 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268865130 785481930 /nfs/dbraw/zinc/48/19/30/785481930.db2.gz RVPGULPVTMAAKI-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268865195 785481189 /nfs/dbraw/zinc/48/11/89/785481189.db2.gz UDXWNKOGHTVAAP-UWVGGRQHSA-N 1 0 325.369 -1.747 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268865196 785481384 /nfs/dbraw/zinc/48/13/84/785481384.db2.gz UDXWNKOGHTVAAP-ZJUUUORDSA-N 1 0 325.369 -1.747 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C(C)(C)S(C)(=O)=O ZINC001268868156 785481979 /nfs/dbraw/zinc/48/19/79/785481979.db2.gz ANZPYWFSBGAALW-UHFFFAOYSA-N 1 0 336.414 -1.557 20 0 EAADRO COC[C@H](O)C[NH2+]CCCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268868646 785481099 /nfs/dbraw/zinc/48/10/99/785481099.db2.gz JGDMPPMUDUUTJW-LLVKDONJSA-N 1 0 342.396 -1.857 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268869054 785481561 /nfs/dbraw/zinc/48/15/61/785481561.db2.gz PSYBCJSMINYSQQ-SECBINFHSA-N 1 0 339.352 -2.266 20 0 EAADRO CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268869056 785482076 /nfs/dbraw/zinc/48/20/76/785482076.db2.gz PSYBCJSMINYSQQ-VIFPVBQESA-N 1 0 339.352 -2.266 20 0 EAADRO CNC(=O)C[NH2+]CCCN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001268869337 785481619 /nfs/dbraw/zinc/48/16/19/785481619.db2.gz VPJTUBRTOPOEGA-UHFFFAOYSA-N 1 0 335.368 -1.925 20 0 EAADRO CN(CCC[NH2+]Cc1ncnn1C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268869474 785482005 /nfs/dbraw/zinc/48/20/05/785482005.db2.gz YLDCRHSVBJMPMK-UHFFFAOYSA-N 1 0 349.395 -1.536 20 0 EAADRO CC[C@@H]([NH2+]CCCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O ZINC001268869533 785481925 /nfs/dbraw/zinc/48/19/25/785481925.db2.gz ZQLHCLVMQZPCHK-LLVKDONJSA-N 1 0 339.396 -1.600 20 0 EAADRO CC[C@H]([NH2+]CCCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O ZINC001268869534 785481859 /nfs/dbraw/zinc/48/18/59/785481859.db2.gz ZQLHCLVMQZPCHK-NSHDSACASA-N 1 0 339.396 -1.600 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001268871329 785481956 /nfs/dbraw/zinc/48/19/56/785481956.db2.gz MNXMVKBHLCETGB-ZDUSSCGKSA-N 1 0 339.440 -1.395 20 0 EAADRO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001268871371 785481550 /nfs/dbraw/zinc/48/15/50/785481550.db2.gz ODMAYBOBVVUYJL-ZDUSSCGKSA-N 1 0 339.440 -1.538 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O)C(N)=O ZINC001268871917 785481176 /nfs/dbraw/zinc/48/11/76/785481176.db2.gz HBCKXTOENUWYIL-NEPJUHHUSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O)C(N)=O ZINC001268871918 785481907 /nfs/dbraw/zinc/48/19/07/785481907.db2.gz HBCKXTOENUWYIL-RYUDHWBXSA-N 1 0 341.412 -1.965 20 0 EAADRO CN(CCC[NH2+]CC(N)=O)C(=O)C1(n2cnnn2)CCOCC1 ZINC001268876882 785482016 /nfs/dbraw/zinc/48/20/16/785482016.db2.gz PVPRDQILDPWCRD-UHFFFAOYSA-N 1 0 325.373 -1.898 20 0 EAADRO COCCC[NH+]1CC(CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001268879096 785483380 /nfs/dbraw/zinc/48/33/80/785483380.db2.gz KSXAJXONGIQZRN-UHFFFAOYSA-N 1 0 331.398 -1.245 20 0 EAADRO CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001268881047 785483330 /nfs/dbraw/zinc/48/33/30/785483330.db2.gz KJVUZZFZGCHALR-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001268881048 785482863 /nfs/dbraw/zinc/48/28/63/785482863.db2.gz KJVUZZFZGCHALR-NSHDSACASA-N 1 0 339.396 -1.355 20 0 EAADRO CN(CCC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)c1cnn(C)n1 ZINC001268881106 785483029 /nfs/dbraw/zinc/48/30/29/785483029.db2.gz MQSUWMFJLPMSIE-LBPRGKRZSA-N 1 0 338.412 -1.150 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)CCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268881122 785482584 /nfs/dbraw/zinc/48/25/84/785482584.db2.gz NAPFAWMJRDZMFU-UHFFFAOYSA-N 1 0 326.401 -1.039 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C(C)(C)N1CCOCC1 ZINC001268881146 785483073 /nfs/dbraw/zinc/48/30/73/785483073.db2.gz NTPQMUWFURSSST-UHFFFAOYSA-N 1 0 343.428 -1.270 20 0 EAADRO COC[C@H](O)C[NH+]1CC(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001268883507 785481340 /nfs/dbraw/zinc/48/13/40/785481340.db2.gz NJPHRXOMHYGJHU-SNVBAGLBSA-N 1 0 342.352 -2.538 20 0 EAADRO CN(CCC[NH2+]Cc1cnnn1C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001268885262 785482398 /nfs/dbraw/zinc/48/23/98/785482398.db2.gz HVPKQGWTAWIJDV-UHFFFAOYSA-N 1 0 349.395 -1.307 20 0 EAADRO CN(CCC[NH2+]Cc1cnon1)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001268885936 785483249 /nfs/dbraw/zinc/48/32/49/785483249.db2.gz YTJAHMAPSVDEAE-UHFFFAOYSA-N 1 0 336.352 -1.052 20 0 EAADRO C[C@H](NC(=O)C[NH2+]CCCN(C)C(=O)c1cnon1)C(=O)N(C)C ZINC001268889389 785483341 /nfs/dbraw/zinc/48/33/41/785483341.db2.gz MBAGGZPSNBESEM-JTQLQIEISA-N 1 0 340.384 -1.286 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]CCCN(C)C(=O)c1cnon1)C(=O)N(C)C ZINC001268889390 785483363 /nfs/dbraw/zinc/48/33/63/785483363.db2.gz MBAGGZPSNBESEM-SNVBAGLBSA-N 1 0 340.384 -1.286 20 0 EAADRO O=C(NCC1CC1)C(=O)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001268892472 785482558 /nfs/dbraw/zinc/48/25/58/785482558.db2.gz VGPOMUVYPJZKTE-AWEZNQCLSA-N 1 0 335.408 -1.182 20 0 EAADRO O=C(NCC1CC1)C(=O)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001268892474 785483125 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CCS(=O)(=O)N(C)CC(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001268898075 785484363 /nfs/dbraw/zinc/48/43/63/785484363.db2.gz HKHRXZPWPHRKMR-LBPRGKRZSA-N 1 0 348.469 -1.063 20 0 EAADRO CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)C(=O)NCC1CC1 ZINC001268899662 785484867 /nfs/dbraw/zinc/48/48/67/785484867.db2.gz SOVXYKHNSCXDMN-UHFFFAOYSA-N 1 0 340.424 -1.191 20 0 EAADRO Cc1nn(CC(=O)NCC2C[NH+](CCOCCO)C2)c(=O)n1C ZINC001268900246 785483922 /nfs/dbraw/zinc/48/39/22/785483922.db2.gz CLSOZWSTRIUOQO-UHFFFAOYSA-N 1 0 327.385 -2.053 20 0 EAADRO CCOCC[NH+]1CC(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001268905631 785484283 /nfs/dbraw/zinc/48/42/83/785484283.db2.gz DFNKTIWLEXJSFL-UHFFFAOYSA-N 1 0 333.454 -1.199 20 0 EAADRO CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)CN1CC(=O)N(C)C1=O ZINC001268911698 785485906 /nfs/dbraw/zinc/48/59/06/785485906.db2.gz LTPMCYKUUALXRQ-JTQLQIEISA-N 1 0 325.369 -1.793 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)CN1CC(=O)N(C)C1=O ZINC001268911699 785485575 /nfs/dbraw/zinc/48/55/75/785485575.db2.gz LTPMCYKUUALXRQ-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268912255 785486083 /nfs/dbraw/zinc/48/60/83/785486083.db2.gz WOTSZSMUAZQAEG-UHFFFAOYSA-N 1 0 341.412 -1.157 20 0 EAADRO Cc1nn(CC(=O)N(C)CCC[NH2+]Cc2cn(C)nn2)c(=O)n1C ZINC001268934896 785486497 /nfs/dbraw/zinc/48/64/97/785486497.db2.gz QKMJAHKFZQIJML-UHFFFAOYSA-N 1 0 336.400 -1.343 20 0 EAADRO C[C@@H]([NH2+]CCCN(C)C(=O)CCC(=O)N1CCOCC1)C(N)=O ZINC001268939153 785485843 /nfs/dbraw/zinc/48/58/43/785485843.db2.gz OWZKKWPWLFDIKO-GFCCVEGCSA-N 1 0 328.413 -1.063 20 0 EAADRO C[C@H]([NH2+]CCCN(C)C(=O)CCC(=O)N1CCOCC1)C(N)=O ZINC001268939154 785485974 /nfs/dbraw/zinc/48/59/74/785485974.db2.gz OWZKKWPWLFDIKO-LBPRGKRZSA-N 1 0 328.413 -1.063 20 0 EAADRO CN(CCC[NH2+]Cc1ncnn1C)C(=O)c1nccnc1C(N)=O ZINC001268941612 785487120 /nfs/dbraw/zinc/48/71/20/785487120.db2.gz CGGUWVCTHQERSQ-UHFFFAOYSA-N 1 0 332.368 -1.044 20 0 EAADRO CC[C@H]([NH2+]CCCN(C)C(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001268941657 785486874 /nfs/dbraw/zinc/48/68/74/785486874.db2.gz DLMGHHKLMBWGGJ-JTQLQIEISA-N 1 0 327.385 -1.418 20 0 EAADRO CC[C@@H]([NH2+]CCCN(C)C(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001268941659 785486710 /nfs/dbraw/zinc/48/67/10/785486710.db2.gz DLMGHHKLMBWGGJ-SNVBAGLBSA-N 1 0 327.385 -1.418 20 0 EAADRO CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CN1C(=O)CNC1=O ZINC001268942028 785487200 /nfs/dbraw/zinc/48/72/00/785487200.db2.gz FWXBUHWCRZSDIN-UHFFFAOYSA-N 1 0 339.356 -2.402 20 0 EAADRO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)CN1C(=O)CNC1=O ZINC001268942054 785486645 /nfs/dbraw/zinc/48/66/45/785486645.db2.gz GDCYHMNQEDVJQG-UHFFFAOYSA-N 1 0 340.384 -1.999 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001268942080 785487186 /nfs/dbraw/zinc/48/71/86/785487186.db2.gz GMVCAPSQEJPVEH-UHFFFAOYSA-N 1 0 341.412 -1.203 20 0 EAADRO CN(CCC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN1C(=O)CNC1=O ZINC001268942589 785486982 /nfs/dbraw/zinc/48/69/82/785486982.db2.gz KDGPMUKJIJDPHS-UHFFFAOYSA-N 1 0 349.391 -1.125 20 0 EAADRO CN(CCC[NH2+][C@H]1CCCNC1=O)C(=O)CN1C(=O)CNC1=O ZINC001268942608 785487102 /nfs/dbraw/zinc/48/71/02/785487102.db2.gz KRYNFKTUITUZMQ-JTQLQIEISA-N 1 0 325.369 -1.745 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCCNC1=O)C(=O)CN1C(=O)CNC1=O ZINC001268942609 785487158 /nfs/dbraw/zinc/48/71/58/785487158.db2.gz KRYNFKTUITUZMQ-SNVBAGLBSA-N 1 0 325.369 -1.745 20 0 EAADRO CN(CCC[NH2+]Cc1cnnn1C)C(=O)c1nccnc1C(N)=O ZINC001268942627 785487014 /nfs/dbraw/zinc/48/70/14/785487014.db2.gz LBQWJYTVAIXIOQ-UHFFFAOYSA-N 1 0 332.368 -1.044 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CN1C(=O)CNC1=O ZINC001268942631 785486532 /nfs/dbraw/zinc/48/65/32/785486532.db2.gz LDEHYAIODBCCOB-UHFFFAOYSA-N 1 0 342.356 -2.568 20 0 EAADRO CN(CCC[NH2+]CCc1cnn(C)c1)C(=O)CN1C(=O)CNC1=O ZINC001268943271 785486461 /nfs/dbraw/zinc/48/64/61/785486461.db2.gz RLFWMSHVVHIHLM-UHFFFAOYSA-N 1 0 336.396 -1.048 20 0 EAADRO CCNC(=O)C[NH2+]CCCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001268943341 785486370 /nfs/dbraw/zinc/48/63/70/785486370.db2.gz UIDUHIBNFDITEL-UHFFFAOYSA-N 1 0 327.385 -1.545 20 0 EAADRO CN(CCC[NH2+]Cc1cnn(C)n1)C(=O)CN1C(=O)CN(C)C1=O ZINC001268943484 785487167 /nfs/dbraw/zinc/48/71/67/785487167.db2.gz VHWKYBNTYOTLKP-UHFFFAOYSA-N 1 0 337.384 -1.353 20 0 EAADRO CN(CCC[NH2+]Cc1cn(C)nn1)C(=O)CN1C(=O)CN(C)C1=O ZINC001268943511 785487054 /nfs/dbraw/zinc/48/70/54/785487054.db2.gz VTQUALQIWDIKGH-UHFFFAOYSA-N 1 0 337.384 -1.353 20 0 EAADRO CN(CCC[NH2+]Cc1cnon1)C(=O)CN1CCS(=O)(=O)CC1 ZINC001268945566 785486733 /nfs/dbraw/zinc/48/67/33/785486733.db2.gz FPXKUNQKXHKUHE-UHFFFAOYSA-N 1 0 345.425 -1.262 20 0 EAADRO COC[C@@H](O)C[NH2+]CCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268946395 785487606 /nfs/dbraw/zinc/48/76/06/785487606.db2.gz OPSRYGCWDAWBHU-JTQLQIEISA-N 1 0 328.369 -1.455 20 0 EAADRO COC[C@H](O)C[NH2+]CCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268946396 785487760 /nfs/dbraw/zinc/48/77/60/785487760.db2.gz OPSRYGCWDAWBHU-SNVBAGLBSA-N 1 0 328.369 -1.455 20 0 EAADRO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CCS(=O)(=O)CC1)C(N)=O ZINC001268946630 785488259 /nfs/dbraw/zinc/48/82/59/785488259.db2.gz QVENXMTUVPTGAA-LLVKDONJSA-N 1 0 334.442 -1.971 20 0 EAADRO C[C@H]([NH2+]CCCN(C)C(=O)CN1CCS(=O)(=O)CC1)C(N)=O ZINC001268946631 785487803 /nfs/dbraw/zinc/48/78/03/785487803.db2.gz QVENXMTUVPTGAA-NSHDSACASA-N 1 0 334.442 -1.971 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268946831 785487743 /nfs/dbraw/zinc/48/77/43/785487743.db2.gz UATFVDPUEYPAAK-SECBINFHSA-N 1 0 325.369 -1.328 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268946832 785488175 /nfs/dbraw/zinc/48/81/75/785488175.db2.gz UATFVDPUEYPAAK-VIFPVBQESA-N 1 0 325.369 -1.328 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268949852 785486775 /nfs/dbraw/zinc/48/67/75/785486775.db2.gz COYLULZIWZEBQG-LLVKDONJSA-N 1 0 332.426 -1.605 20 0 EAADRO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268949853 785487813 /nfs/dbraw/zinc/48/78/13/785487813.db2.gz COYLULZIWZEBQG-NSHDSACASA-N 1 0 332.426 -1.605 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268949926 785487565 /nfs/dbraw/zinc/48/75/65/785487565.db2.gz FRDOZZALLPLKNC-NXEZZACHSA-N 1 0 346.409 -2.079 20 0 EAADRO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268949927 785487671 /nfs/dbraw/zinc/48/76/71/785487671.db2.gz FRDOZZALLPLKNC-UWVGGRQHSA-N 1 0 346.409 -2.079 20 0 EAADRO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268949928 785487680 /nfs/dbraw/zinc/48/76/80/785487680.db2.gz FRDOZZALLPLKNC-VHSXEESVSA-N 1 0 346.409 -2.079 20 0 EAADRO CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268949929 785488244 /nfs/dbraw/zinc/48/82/44/785488244.db2.gz FRDOZZALLPLKNC-ZJUUUORDSA-N 1 0 346.409 -2.079 20 0 EAADRO CN(CCC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268950040 785488249 /nfs/dbraw/zinc/48/82/49/785488249.db2.gz JIDWGOVLYOULFL-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO CN(CCC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268950041 785487997 /nfs/dbraw/zinc/48/79/97/785487997.db2.gz JIDWGOVLYOULFL-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CCn1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001268950279 785487575 /nfs/dbraw/zinc/48/75/75/785487575.db2.gz RACBQIAHEMGNHS-GFCCVEGCSA-N 1 0 344.441 -1.072 20 0 EAADRO CCn1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001268950280 785488391 /nfs/dbraw/zinc/48/83/91/785488391.db2.gz RACBQIAHEMGNHS-LBPRGKRZSA-N 1 0 344.441 -1.072 20 0 EAADRO COCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)CNC(C)=O ZINC001268952297 785488425 /nfs/dbraw/zinc/48/84/25/785488425.db2.gz YWQVAQICHNNADP-STQMWFEESA-N 1 0 326.397 -1.440 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001268958973 785487751 /nfs/dbraw/zinc/48/77/51/785487751.db2.gz SIPBNBPFOWHWMV-SECBINFHSA-N 1 0 325.373 -2.050 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001268958974 785487588 /nfs/dbraw/zinc/48/75/88/785487588.db2.gz SIPBNBPFOWHWMV-VIFPVBQESA-N 1 0 325.373 -2.050 20 0 EAADRO C[C@H]([NH2+]CCCN(C)C(=O)c1cn(CC(N)=O)nn1)C(=O)N(C)C ZINC001268959160 785487661 /nfs/dbraw/zinc/48/76/61/785487661.db2.gz WRHABAXVTZUXGK-JTQLQIEISA-N 1 0 339.400 -1.708 20 0 EAADRO C[C@@H]([NH2+]CCCN(C)C(=O)c1cn(CC(N)=O)nn1)C(=O)N(C)C ZINC001268959163 785487991 /nfs/dbraw/zinc/48/79/91/785487991.db2.gz WRHABAXVTZUXGK-SNVBAGLBSA-N 1 0 339.400 -1.708 20 0 EAADRO CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cn(C)c(=O)n1C ZINC001268961749 785488204 /nfs/dbraw/zinc/48/82/04/785488204.db2.gz GRMCGGQZPSXIGP-UHFFFAOYSA-N 1 0 337.384 -1.603 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O ZINC001268961824 785487885 /nfs/dbraw/zinc/48/78/85/785487885.db2.gz ITFIWMAEVHMOJF-LLVKDONJSA-N 1 0 327.385 -1.370 20 0 EAADRO CN(CCC[NH2+]Cc1nnnn1C)C(=O)c1ccc(C(N)=O)nc1 ZINC001268964830 785488217 /nfs/dbraw/zinc/48/82/17/785488217.db2.gz ZGTZSSRKONNJSV-UHFFFAOYSA-N 1 0 332.368 -1.044 20 0 EAADRO CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cc(C(N)=O)ccn1 ZINC001268975037 785489596 /nfs/dbraw/zinc/48/95/96/785489596.db2.gz ULMBFNZPMBUSSQ-UHFFFAOYSA-N 1 0 347.379 -1.146 20 0 EAADRO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001268984192 785489527 /nfs/dbraw/zinc/48/95/27/785489527.db2.gz XZZOKWSUXHOOPC-DCAQKATOSA-N 1 0 326.353 -2.169 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001268984193 785489262 /nfs/dbraw/zinc/48/92/62/785489262.db2.gz XZZOKWSUXHOOPC-GARJFASQSA-N 1 0 326.353 -2.169 20 0 EAADRO O=C(Cc1nc2ncccn2n1)N1C[C@@H]2C[C@H]1CN2CCOCCO ZINC001268987668 785490047 /nfs/dbraw/zinc/49/00/47/785490047.db2.gz CFUNMKXKSMGMKT-STQMWFEESA-N 1 0 346.391 -1.039 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268993226 785490418 /nfs/dbraw/zinc/49/04/18/785490418.db2.gz OURWVTGBVUJCDE-FIQHERPVSA-N 1 0 325.365 -1.668 20 0 EAADRO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001268993227 785490571 /nfs/dbraw/zinc/49/05/71/785490571.db2.gz OURWVTGBVUJCDE-NOOOWODRSA-N 1 0 325.365 -1.668 20 0 EAADRO CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]21 ZINC001268995760 785490366 /nfs/dbraw/zinc/49/03/66/785490366.db2.gz ABNWBSHINWSQNP-MNOVXSKESA-N 1 0 326.401 -1.159 20 0 EAADRO CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]21 ZINC001268995761 785490444 /nfs/dbraw/zinc/49/04/44/785490444.db2.gz ABNWBSHINWSQNP-QWRGUYRKSA-N 1 0 326.401 -1.159 20 0 EAADRO CN(C)S(=O)(=O)N1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001268995772 785490061 /nfs/dbraw/zinc/49/00/61/785490061.db2.gz AILLNKZURMRIEY-UHFFFAOYSA-N 1 0 332.430 -1.848 20 0 EAADRO CN(CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]n1)C(N)=[NH2+] ZINC001268995781 785490390 /nfs/dbraw/zinc/49/03/90/785490390.db2.gz ARQLPYJVRWELEV-AOOOYVTPSA-N 1 0 347.379 -1.177 20 0 EAADRO CN(C)S(=O)(=O)N1CC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001268995782 785490372 /nfs/dbraw/zinc/49/03/72/785490372.db2.gz 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OYBIEJMAQCSIDK-XGTBMDPHSA-N 1 0 330.381 -2.269 20 0 EAADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269302262 785528048 /nfs/dbraw/zinc/52/80/48/785528048.db2.gz OYBIEJMAQCSIDK-YYQHBFALSA-N 1 0 330.381 -2.269 20 0 EAADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269302264 785528681 /nfs/dbraw/zinc/52/86/81/785528681.db2.gz OYBIEJMAQCSIDK-ZVUGODGUSA-N 1 0 330.381 -2.269 20 0 EAADRO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)CC2 ZINC001269302703 785528063 /nfs/dbraw/zinc/52/80/63/785528063.db2.gz XQOQHZJSQNUETL-HXNLIRTISA-N 1 0 330.381 -2.269 20 0 EAADRO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)CC2 ZINC001269302704 785528796 /nfs/dbraw/zinc/52/87/96/785528796.db2.gz XQOQHZJSQNUETL-ILOGHGLZSA-N 1 0 330.381 -2.269 20 0 EAADRO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001269302710 785528841 /nfs/dbraw/zinc/52/88/41/785528841.db2.gz XYYBXQYIPKJVPH-IHWVXMPCSA-N 1 0 342.392 -1.984 20 0 EAADRO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001269302711 785528705 /nfs/dbraw/zinc/52/87/05/785528705.db2.gz XYYBXQYIPKJVPH-PFFFPCNUSA-N 1 0 342.392 -1.984 20 0 EAADRO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001269306547 785530277 /nfs/dbraw/zinc/53/02/77/785530277.db2.gz FZPJIFWJSNVDCG-GFCCVEGCSA-N 1 0 349.395 -1.255 20 0 EAADRO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001269306548 785529528 /nfs/dbraw/zinc/52/95/28/785529528.db2.gz FZPJIFWJSNVDCG-LBPRGKRZSA-N 1 0 349.395 -1.255 20 0 EAADRO CCOCC[N@@H+]1CC[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001269311508 785529694 /nfs/dbraw/zinc/52/96/94/785529694.db2.gz UPXUEHGZEBRWEZ-JTQLQIEISA-N 1 0 326.353 -1.366 20 0 EAADRO CCOCC[N@@H+]1CC[C@@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001269311509 785529457 /nfs/dbraw/zinc/52/94/57/785529457.db2.gz UPXUEHGZEBRWEZ-SNVBAGLBSA-N 1 0 326.353 -1.366 20 0 EAADRO C[N@@H+]1CCC2(C1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001269311996 785530044 /nfs/dbraw/zinc/53/00/44/785530044.db2.gz BGLIOUGTPCTNHN-GRYCIOLGSA-N 1 0 330.381 -2.425 20 0 EAADRO C[N@@H+]1CCC2(C1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001269312000 785530226 /nfs/dbraw/zinc/53/02/26/785530226.db2.gz BGLIOUGTPCTNHN-IJLUTSLNSA-N 1 0 330.381 -2.425 20 0 EAADRO C[N@@H+]1CCC2(C1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001269312003 785529637 /nfs/dbraw/zinc/52/96/37/785529637.db2.gz BGLIOUGTPCTNHN-QJPTWQEYSA-N 1 0 330.381 -2.425 20 0 EAADRO C[N@@H+]1CCC2(C1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001269312006 785530206 /nfs/dbraw/zinc/53/02/06/785530206.db2.gz BGLIOUGTPCTNHN-SDDRHHMPSA-N 1 0 330.381 -2.425 20 0 EAADRO O=C(C(=O)N1CC2(C1)C[NH+](C1CCCC1)C2)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001269312056 785530117 /nfs/dbraw/zinc/53/01/17/785530117.db2.gz BYNUWBDDGXUTNN-FRRDWIJNSA-N 1 0 342.392 -2.283 20 0 EAADRO O=C(C(=O)N1CC2(C1)C[NH+](C1CCCC1)C2)[C@H](O)[C@H](O)[C@H](O)CO ZINC001269312066 785530073 /nfs/dbraw/zinc/53/00/73/785530073.db2.gz BYNUWBDDGXUTNN-JHJVBQTASA-N 1 0 342.392 -2.283 20 0 EAADRO O=C(C(=O)N1CC2(C1)C[NH+](C1CCCC1)C2)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001269312068 785529982 /nfs/dbraw/zinc/52/99/82/785529982.db2.gz BYNUWBDDGXUTNN-RWMBFGLXSA-N 1 0 342.392 -2.283 20 0 EAADRO O=C(C(=O)N1CC2(C1)C[NH+](C1CCCC1)C2)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001269312069 785530033 /nfs/dbraw/zinc/53/00/33/785530033.db2.gz BYNUWBDDGXUTNN-YNEHKIRRSA-N 1 0 342.392 -2.283 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001269312319 785529285 /nfs/dbraw/zinc/52/92/85/785529285.db2.gz DUMFQWCVTZUAJM-GRYCIOLGSA-N 1 0 345.396 -3.664 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001269312320 785529310 /nfs/dbraw/zinc/52/93/10/785529310.db2.gz DUMFQWCVTZUAJM-IJLUTSLNSA-N 1 0 345.396 -3.664 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001269312321 785529413 /nfs/dbraw/zinc/52/94/13/785529413.db2.gz DUMFQWCVTZUAJM-QJPTWQEYSA-N 1 0 345.396 -3.664 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001269312322 785529678 /nfs/dbraw/zinc/52/96/78/785529678.db2.gz DUMFQWCVTZUAJM-SDDRHHMPSA-N 1 0 345.396 -3.664 20 0 EAADRO C[NH+](C)CCN1CCC12CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001269312559 785529566 /nfs/dbraw/zinc/52/95/66/785529566.db2.gz HJHDEVZDKKXOIB-GRYCIOLGSA-N 1 0 345.396 -3.521 20 0 EAADRO C[NH+](C)CCN1CCC12CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001269312560 785529549 /nfs/dbraw/zinc/52/95/49/785529549.db2.gz HJHDEVZDKKXOIB-IJLUTSLNSA-N 1 0 345.396 -3.521 20 0 EAADRO C[NH+](C)CCN1CCC12CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001269312561 785529575 /nfs/dbraw/zinc/52/95/75/785529575.db2.gz HJHDEVZDKKXOIB-QJPTWQEYSA-N 1 0 345.396 -3.521 20 0 EAADRO C[NH+](C)CCN1CCC12CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001269312562 785529732 /nfs/dbraw/zinc/52/97/32/785529732.db2.gz HJHDEVZDKKXOIB-SDDRHHMPSA-N 1 0 345.396 -3.521 20 0 EAADRO C[N@@H+]1CCCC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)C1 ZINC001269312867 785529867 /nfs/dbraw/zinc/52/98/67/785529867.db2.gz KVPNHKNUWKHAIF-FRRDWIJNSA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@@H+]1CCCC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)C1 ZINC001269312868 785529839 /nfs/dbraw/zinc/52/98/39/785529839.db2.gz KVPNHKNUWKHAIF-JHJVBQTASA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@@H+]1CCCC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)C1 ZINC001269312869 785529619 /nfs/dbraw/zinc/52/96/19/785529619.db2.gz KVPNHKNUWKHAIF-RWMBFGLXSA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@@H+]1CCCC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)C1 ZINC001269312870 785529433 /nfs/dbraw/zinc/52/94/33/785529433.db2.gz KVPNHKNUWKHAIF-YNEHKIRRSA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]2CC1 ZINC001269312984 785530235 /nfs/dbraw/zinc/53/02/35/785530235.db2.gz LQRLYWGOUYUDKC-FPYNETTCSA-N 1 0 330.381 -2.569 20 0 EAADRO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]2CC1 ZINC001269312985 785529995 /nfs/dbraw/zinc/52/99/95/785529995.db2.gz LQRLYWGOUYUDKC-NZEXEKPDSA-N 1 0 330.381 -2.569 20 0 EAADRO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]2CC1 ZINC001269312986 785529766 /nfs/dbraw/zinc/52/97/66/785529766.db2.gz LQRLYWGOUYUDKC-OBPIAQAESA-N 1 0 330.381 -2.569 20 0 EAADRO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]2CC1 ZINC001269312987 785530260 /nfs/dbraw/zinc/53/02/60/785530260.db2.gz LQRLYWGOUYUDKC-RXGFPQBGSA-N 1 0 330.381 -2.569 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001269313201 785530018 /nfs/dbraw/zinc/53/00/18/785530018.db2.gz QDXPVNQMQFFTIF-FPYNETTCSA-N 1 0 345.396 -3.523 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001269313202 785530269 /nfs/dbraw/zinc/53/02/69/785530269.db2.gz QDXPVNQMQFFTIF-NZEXEKPDSA-N 1 0 345.396 -3.523 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001269313203 785530148 /nfs/dbraw/zinc/53/01/48/785530148.db2.gz QDXPVNQMQFFTIF-OBPIAQAESA-N 1 0 345.396 -3.523 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001269313204 785530127 /nfs/dbraw/zinc/53/01/27/785530127.db2.gz QDXPVNQMQFFTIF-RXGFPQBGSA-N 1 0 345.396 -3.523 20 0 EAADRO C[N@@H+]1CCC[C@]2(CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2)C1 ZINC001269313812 785531656 /nfs/dbraw/zinc/53/16/56/785531656.db2.gz XLPFHRHVVBNJSO-IATRGZMQSA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@@H+]1CCC[C@]2(CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)C1 ZINC001269313813 785531493 /nfs/dbraw/zinc/53/14/93/785531493.db2.gz XLPFHRHVVBNJSO-JFILPPLUSA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@@H+]1CCC[C@]2(CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)C1 ZINC001269313814 785530723 /nfs/dbraw/zinc/53/07/23/785530723.db2.gz XLPFHRHVVBNJSO-JXFSHQFZSA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@@H+]1CCC[C@]2(CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2)C1 ZINC001269313815 785531341 /nfs/dbraw/zinc/53/13/41/785531341.db2.gz XLPFHRHVVBNJSO-VLXAULBPSA-N 1 0 344.408 -2.035 20 0 EAADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001269313848 785531325 /nfs/dbraw/zinc/53/13/25/785531325.db2.gz YBCNFAWXWURFEN-FUTJPDQTSA-N 1 0 330.381 -2.425 20 0 EAADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001269313849 785531030 /nfs/dbraw/zinc/53/10/30/785531030.db2.gz YBCNFAWXWURFEN-NWJSVONSSA-N 1 0 330.381 -2.425 20 0 EAADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001269313850 785531779 /nfs/dbraw/zinc/53/17/79/785531779.db2.gz YBCNFAWXWURFEN-RTWAVKEYSA-N 1 0 330.381 -2.425 20 0 EAADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001269313851 785530764 /nfs/dbraw/zinc/53/07/64/785530764.db2.gz YBCNFAWXWURFEN-UUIJZJDISA-N 1 0 330.381 -2.425 20 0 EAADRO C[NH2+][C@@]12CC[C@@](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)(C1)CCC2 ZINC001269313987 785531371 /nfs/dbraw/zinc/53/13/71/785531371.db2.gz ZGFWCJWUIOMSKK-KAEXTRBYSA-N 1 0 330.381 -2.189 20 0 EAADRO C[NH2+][C@@]12CC[C@@](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)(C1)CCC2 ZINC001269313989 785531544 /nfs/dbraw/zinc/53/15/44/785531544.db2.gz ZGFWCJWUIOMSKK-MTLGCJRHSA-N 1 0 330.381 -2.189 20 0 EAADRO C[NH2+][C@@]12CC[C@@](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)(C1)CCC2 ZINC001269313991 785531774 /nfs/dbraw/zinc/53/17/74/785531774.db2.gz ZGFWCJWUIOMSKK-VIDBKGRSSA-N 1 0 330.381 -2.189 20 0 EAADRO C[NH2+][C@@]12CC[C@@](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)(C1)CCC2 ZINC001269313992 785530820 /nfs/dbraw/zinc/53/08/20/785530820.db2.gz ZGFWCJWUIOMSKK-VOAKKNSGSA-N 1 0 330.381 -2.189 20 0 EAADRO CCN(C(=O)CC(N)=O)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001269318169 785531618 /nfs/dbraw/zinc/53/16/18/785531618.db2.gz KXBYLCJCCIOCTK-JTQLQIEISA-N 1 0 325.369 -1.664 20 0 EAADRO CCN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001269318170 785530983 /nfs/dbraw/zinc/53/09/83/785530983.db2.gz KXBYLCJCCIOCTK-SNVBAGLBSA-N 1 0 325.369 -1.664 20 0 EAADRO CCN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001269331980 785531275 /nfs/dbraw/zinc/53/12/75/785531275.db2.gz QDAWXGIAWYVQOA-SRVKXCTJSA-N 1 0 342.396 -1.485 20 0 EAADRO CCN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001269331981 785531640 /nfs/dbraw/zinc/53/16/40/785531640.db2.gz QDAWXGIAWYVQOA-WOPDTQHZSA-N 1 0 342.396 -1.485 20 0 EAADRO CN(CC(=O)N1CCC2(C[C@@H]2C(=O)Nc2nnnn2C)CC1)C(N)=[NH2+] ZINC001269346954 785535736 /nfs/dbraw/zinc/53/57/36/785535736.db2.gz NMLSILQKESGCKU-SECBINFHSA-N 1 0 349.399 -1.397 20 0 EAADRO CN(CC(=O)N1CCC2(C[C@H]2C(=O)Nc2nnnn2C)CC1)C(N)=[NH2+] ZINC001269346955 785535707 /nfs/dbraw/zinc/53/57/07/785535707.db2.gz NMLSILQKESGCKU-VIFPVBQESA-N 1 0 349.399 -1.397 20 0 EAADRO CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)N2Cc3cncnc3C2)C1)C(N)=[NH2+] ZINC001269347387 785535728 /nfs/dbraw/zinc/53/57/28/785535728.db2.gz AAVKLDQSUODXFF-BDJLRTHQSA-N 1 0 343.391 -1.007 20 0 EAADRO CN(CC(=O)NC12CC(C(=O)NCc3ccnn3C)(C1)C2)C(N)=[NH2+] ZINC001269347399 785535680 /nfs/dbraw/zinc/53/56/80/785535680.db2.gz ALPLVHIPUYPZRQ-UHFFFAOYSA-N 1 0 333.396 -1.100 20 0 EAADRO CN(CC(=O)N1CC2(C[C@H]2C(=O)N2CCn3cnnc3C2)C1)C(N)=[NH2+] ZINC001269347406 785535757 /nfs/dbraw/zinc/53/57/57/785535757.db2.gz AZETTWRFFASWEZ-JTQLQIEISA-N 1 0 346.395 -1.706 20 0 EAADRO CN(CC(=O)N1CC2(C[C@@H]2C(=O)N2CCn3cnnc3C2)C1)C(N)=[NH2+] ZINC001269347407 785535800 /nfs/dbraw/zinc/53/58/00/785535800.db2.gz AZETTWRFFASWEZ-SNVBAGLBSA-N 1 0 346.395 -1.706 20 0 EAADRO CN(CC(=O)N1CC2(C[C@@H]2C(=O)N2CC3(CC(O)C3)C2)C1)C(N)=[NH2+] ZINC001269347453 785535499 /nfs/dbraw/zinc/53/54/99/785535499.db2.gz CNOKUANUBZUHAQ-LLVKDONJSA-N 1 0 335.408 -1.357 20 0 EAADRO CN(CC(=O)N1CC2(C[C@H]2C(=O)N2CC3(CC(O)C3)C2)C1)C(N)=[NH2+] ZINC001269347454 785535085 /nfs/dbraw/zinc/53/50/85/785535085.db2.gz CNOKUANUBZUHAQ-NSHDSACASA-N 1 0 335.408 -1.357 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@H](C(=O)NCC1COC1)O2)C(N)=[NH2+] ZINC001269347479 785534925 /nfs/dbraw/zinc/53/49/25/785534925.db2.gz DCRPHCCESRTJMP-LLVKDONJSA-N 1 0 339.396 -1.666 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@@H](C(=O)NCC1COC1)O2)C(N)=[NH2+] ZINC001269347480 785535221 /nfs/dbraw/zinc/53/52/21/785535221.db2.gz DCRPHCCESRTJMP-NSHDSACASA-N 1 0 339.396 -1.666 20 0 EAADRO CN(CC(=O)N1CCn2c(nnc2C(=O)NC(C)(C)C)C1)C(N)=[NH2+] ZINC001269347498 785535418 /nfs/dbraw/zinc/53/54/18/785535418.db2.gz DKHCAOMAIJAPJZ-UHFFFAOYSA-N 1 0 336.400 -1.026 20 0 EAADRO CN(CC(=O)N1CCn2c(nnc2C(=O)NCC(F)F)C1)C(N)=[NH2+] ZINC001269347500 785535533 /nfs/dbraw/zinc/53/55/33/785535533.db2.gz DOWNWCMGFPLQFK-UHFFFAOYSA-N 1 0 344.326 -1.560 20 0 EAADRO CN(CC(=O)NC12CC(C(=O)N3CCn4cnnc4C3)(C1)C2)C(N)=[NH2+] ZINC001269347506 785534954 /nfs/dbraw/zinc/53/49/54/785534954.db2.gz DWHFXJUCYRETER-UHFFFAOYSA-N 1 0 346.395 -1.516 20 0 EAADRO CN(CC(=O)N1Cc2n[nH]c(C(=O)NCc3c[nH]cn3)c2C1)C(N)=[NH2+] ZINC001269347507 785535786 /nfs/dbraw/zinc/53/57/86/785535786.db2.gz DXHQQKRKQQYCJZ-UHFFFAOYSA-N 1 0 345.367 -1.270 20 0 EAADRO CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCn3cnnc3C2)C1)C(N)=[NH2+] ZINC001269347527 785534809 /nfs/dbraw/zinc/53/48/09/785534809.db2.gz FCMNYNHXIAJWIP-MEBBXXQBSA-N 1 0 346.395 -1.706 20 0 EAADRO CN(CC(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NCC(F)F)C(N)=[NH2+] ZINC001269347532 785535195 /nfs/dbraw/zinc/53/51/95/785535195.db2.gz FKZHAMAWQBGPHU-HAYRHPOISA-N 1 0 347.366 -1.067 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@@H](C(=O)Nc1nccn1C)O2)C(N)=[NH2+] ZINC001269347541 785534788 /nfs/dbraw/zinc/53/47/88/785534788.db2.gz FSFUERYBZXJMQO-JTQLQIEISA-N 1 0 349.395 -1.056 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@H](C(=O)Nc1nccn1C)O2)C(N)=[NH2+] ZINC001269347542 785535749 /nfs/dbraw/zinc/53/57/49/785535749.db2.gz FSFUERYBZXJMQO-SNVBAGLBSA-N 1 0 349.395 -1.056 20 0 EAADRO CN(CC(=O)N1CC2(C[C@H]2C(=O)NCCn2ccnn2)C1)C(N)=[NH2+] ZINC001269347543 785535212 /nfs/dbraw/zinc/53/52/12/785535212.db2.gz FSGCSOVKIMKSEU-JTQLQIEISA-N 1 0 334.384 -1.932 20 0 EAADRO CN(CC(=O)N1CC2(C[C@@H]2C(=O)NCCn2ccnn2)C1)C(N)=[NH2+] ZINC001269347544 785535243 /nfs/dbraw/zinc/53/52/43/785535243.db2.gz FSGCSOVKIMKSEU-SNVBAGLBSA-N 1 0 334.384 -1.932 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)NCCn1ccnn1)C(N)=[NH2+] ZINC001269347546 785534116 /nfs/dbraw/zinc/53/41/16/785534116.db2.gz FVAJUVVFCAMURJ-IINYFYTJSA-N 1 0 334.384 -1.789 20 0 EAADRO CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)NCCn1ccnn1)C(N)=[NH2+] ZINC001269347548 785533741 /nfs/dbraw/zinc/53/37/41/785533741.db2.gz FVAJUVVFCAMURJ-YGRLFVJLSA-N 1 0 334.384 -1.789 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C(C(=O)Nc3cn[nH]c3)=NO[C@@H]2C1)C(N)=[NH2+] ZINC001269347559 785534398 /nfs/dbraw/zinc/53/43/98/785534398.db2.gz GBNNVKAZUKALGY-DTWKUNHWSA-N 1 0 334.340 -1.613 20 0 EAADRO Cc1nc(CNC(=O)[C@@]23C[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])C3)no1 ZINC001269347684 785533655 /nfs/dbraw/zinc/53/36/55/785533655.db2.gz GXZZIAVERAGISD-YMTOWFKASA-N 1 0 335.368 -1.332 20 0 EAADRO CN(CC(=O)N1CCc2c(n[nH]c2C(=O)NCC2COC2)C1)C(N)=[NH2+] ZINC001269347702 785533982 /nfs/dbraw/zinc/53/39/82/785533982.db2.gz HSSPDQNEISYDBC-UHFFFAOYSA-N 1 0 349.395 -1.504 20 0 EAADRO CN(CC(=O)NC12CC(C(=O)NCCn3ccnn3)(C1)C2)C(N)=[NH2+] ZINC001269347712 785533576 /nfs/dbraw/zinc/53/35/76/785533576.db2.gz HYQDLHOVFPDKII-UHFFFAOYSA-N 1 0 334.384 -1.742 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C(C(=O)Nc3nnco3)=NO[C@@H]2C1)C(N)=[NH2+] ZINC001269347717 785533945 /nfs/dbraw/zinc/53/39/45/785533945.db2.gz IFFRQUJBXVNLIP-NKWVEPMBSA-N 1 0 336.312 -1.953 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@H](C(=O)Nc1nnco1)O2)C(N)=[NH2+] ZINC001269347726 785533897 /nfs/dbraw/zinc/53/38/97/785533897.db2.gz IHRREEQWJDRUPK-MRVPVSSYSA-N 1 0 337.340 -1.407 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@@H](C(=O)Nc1nnco1)O2)C(N)=[NH2+] ZINC001269347727 785534262 /nfs/dbraw/zinc/53/42/62/785534262.db2.gz IHRREEQWJDRUPK-QMMMGPOBSA-N 1 0 337.340 -1.407 20 0 EAADRO CN(CC(=O)N1CC2(C[C@@H]2C(=O)NCc2ccnn2C)C1)C(N)=[NH2+] ZINC001269347756 785534412 /nfs/dbraw/zinc/53/44/12/785534412.db2.gz JHSPCRJRBULJDD-LLVKDONJSA-N 1 0 333.396 -1.290 20 0 EAADRO CN(CC(=O)N1CC2(C[C@H]2C(=O)NCc2ccnn2C)C1)C(N)=[NH2+] ZINC001269347757 785533886 /nfs/dbraw/zinc/53/38/86/785533886.db2.gz JHSPCRJRBULJDD-NSHDSACASA-N 1 0 333.396 -1.290 20 0 EAADRO CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)NCc2ccnn2C)C1)C(N)=[NH2+] ZINC001269347771 785534336 /nfs/dbraw/zinc/53/43/36/785534336.db2.gz JMZFDJRIGZZEHL-MEBBXXQBSA-N 1 0 333.396 -1.290 20 0 EAADRO CN(CC(=O)N1CC2(C[C@@H]2C(=O)N2Cc3cncnc3C2)C1)C(N)=[NH2+] ZINC001269347773 785534185 /nfs/dbraw/zinc/53/41/85/785534185.db2.gz JNMOBRGUASFEIK-LLVKDONJSA-N 1 0 343.391 -1.007 20 0 EAADRO CN(CC(=O)N1CC2(C[C@H]2C(=O)N2Cc3cncnc3C2)C1)C(N)=[NH2+] ZINC001269347775 785533934 /nfs/dbraw/zinc/53/39/34/785533934.db2.gz JNMOBRGUASFEIK-NSHDSACASA-N 1 0 343.391 -1.007 20 0 EAADRO CCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1CC[N@H+](CCO)C1 ZINC001269348010 785533691 /nfs/dbraw/zinc/53/36/91/785533691.db2.gz HBZOTDDWXMXQQP-JTQLQIEISA-N 1 0 326.353 -1.678 20 0 EAADRO CCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CC[N@H+](CCO)C1 ZINC001269348011 785534361 /nfs/dbraw/zinc/53/43/61/785534361.db2.gz HBZOTDDWXMXQQP-SNVBAGLBSA-N 1 0 326.353 -1.678 20 0 EAADRO CN(CC(=O)N1CCc2[nH]nc(C(=O)Nc3nnco3)c2C1)C(N)=[NH2+] ZINC001269348121 785534069 /nfs/dbraw/zinc/53/40/69/785534069.db2.gz LNIHRSPROXEVMB-UHFFFAOYSA-N 1 0 347.339 -1.245 20 0 EAADRO CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC3(CC(O)C3)C2)C1)C(N)=[NH2+] ZINC001269348129 785533880 /nfs/dbraw/zinc/53/38/80/785533880.db2.gz LSBOQLLBGZTCKT-QLJPJBMISA-N 1 0 335.408 -1.357 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C(C(=O)NCC(F)F)=NO[C@@H]2C1)C(N)=[NH2+] ZINC001269348139 785533719 /nfs/dbraw/zinc/53/37/19/785533719.db2.gz MENMDJOTHPGYFF-NKWVEPMBSA-N 1 0 332.311 -1.594 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C(C(=O)Nc3nccn3C)=NO[C@@H]2C1)C(N)=[NH2+] ZINC001269348212 785534203 /nfs/dbraw/zinc/53/42/03/785534203.db2.gz MVBAJOLLXDWHFM-DTWKUNHWSA-N 1 0 348.367 -1.603 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C(C(=O)NCc3c[nH]cn3)=NO[C@@H]2C1)C(N)=[NH2+] ZINC001269348384 785534456 /nfs/dbraw/zinc/53/44/56/785534456.db2.gz NCIYHEREONBMQX-VHSXEESVSA-N 1 0 348.367 -1.936 20 0 EAADRO Cc1nc(CNC(=O)C23CC(NC(=O)CN(C)C(N)=[NH2+])(C2)C3)no1 ZINC001269348391 785534254 /nfs/dbraw/zinc/53/42/54/785534254.db2.gz NMZZPPCVRUDBSR-UHFFFAOYSA-N 1 0 335.368 -1.142 20 0 EAADRO CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCn2cnnc2C1)C(N)=[NH2+] ZINC001269348419 785534268 /nfs/dbraw/zinc/53/42/68/785534268.db2.gz OMIVYIKOSFSMQB-BMIGLBTASA-N 1 0 346.395 -1.563 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCn2cnnc2C1)C(N)=[NH2+] ZINC001269348422 785533996 /nfs/dbraw/zinc/53/39/96/785533996.db2.gz OMIVYIKOSFSMQB-ZUZCIYMTSA-N 1 0 346.395 -1.563 20 0 EAADRO Cc1nc(CNC(=O)[C@@]23C[C@@H]2CCN3C(=O)CN(C)C(N)=[NH2+])no1 ZINC001269348451 785534480 /nfs/dbraw/zinc/53/44/80/785534480.db2.gz OXPSHGKVMRGTOA-LKFCYVNXSA-N 1 0 335.368 -1.190 20 0 EAADRO Cc1nc(CNC(=O)[C@]23C[C@H]2CCN3C(=O)CN(C)C(N)=[NH2+])no1 ZINC001269348453 785533840 /nfs/dbraw/zinc/53/38/40/785533840.db2.gz OXPSHGKVMRGTOA-OTYXRUKQSA-N 1 0 335.368 -1.190 20 0 EAADRO COCCN(C)C(=O)c1n[nH]c2c1CN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001269348466 785534169 /nfs/dbraw/zinc/53/41/69/785534169.db2.gz PDHWSEJUYCVTDI-UHFFFAOYSA-N 1 0 337.384 -1.204 20 0 EAADRO CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)NCCS(C)(=O)=O)C(N)=[NH2+] ZINC001269348476 785533957 /nfs/dbraw/zinc/53/39/57/785533957.db2.gz PHBGNLAMGJDSCZ-RNCFNFMXSA-N 1 0 345.425 -2.037 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)NCCS(C)(=O)=O)C(N)=[NH2+] ZINC001269348478 785533777 /nfs/dbraw/zinc/53/37/77/785533777.db2.gz PHBGNLAMGJDSCZ-TVQRCGJNSA-N 1 0 345.425 -2.037 20 0 EAADRO CN(CC(=O)NC12CC(C(=O)NCCS(C)(=O)=O)(C1)C2)C(N)=[NH2+] ZINC001269348499 785533636 /nfs/dbraw/zinc/53/36/36/785533636.db2.gz PPGUXXZTBWYYGB-UHFFFAOYSA-N 1 0 345.425 -1.989 20 0 EAADRO CN(CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nnnn1C)C(N)=[NH2+] ZINC001269348509 785534056 /nfs/dbraw/zinc/53/40/56/785534056.db2.gz PUUORDBQQXTHIS-YKDSUIRESA-N 1 0 349.399 -1.495 20 0 EAADRO CN(CC(=O)N1CCn2c(nnc2C(=O)N2CC=CC2)C1)C(N)=[NH2+] ZINC001269348561 785534418 /nfs/dbraw/zinc/53/44/18/785534418.db2.gz QILFXBRDGNBQIE-UHFFFAOYSA-N 1 0 332.368 -1.542 20 0 EAADRO CN(CC(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)Nc1cn[nH]c1)C(N)=[NH2+] ZINC001269348785 785533867 /nfs/dbraw/zinc/53/38/67/785533867.db2.gz QORYAGXHWRPMQT-WGBDABJCSA-N 1 0 349.395 -1.086 20 0 EAADRO CN(CC(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N1CC=CC1)C(N)=[NH2+] ZINC001269348789 785533764 /nfs/dbraw/zinc/53/37/64/785533764.db2.gz QXINXXRHXFTSPC-SFTQSGBHSA-N 1 0 335.408 -1.050 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@H](C(=O)NCC(F)F)O2)C(N)=[NH2+] ZINC001269348791 785533960 /nfs/dbraw/zinc/53/39/60/785533960.db2.gz REWWRUMAQKUJMX-MRVPVSSYSA-N 1 0 333.339 -1.047 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@@H](C(=O)NCC(F)F)O2)C(N)=[NH2+] ZINC001269348792 785533991 /nfs/dbraw/zinc/53/39/91/785533991.db2.gz REWWRUMAQKUJMX-QMMMGPOBSA-N 1 0 333.339 -1.047 20 0 EAADRO C[C@@H]1Cc2nnc(C(=O)N(C)C)n2CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001269348793 785534040 /nfs/dbraw/zinc/53/40/40/785534040.db2.gz RGHFMRODIURWKS-SECBINFHSA-N 1 0 336.400 -1.422 20 0 EAADRO C[C@H]1Cc2nnc(C(=O)N(C)C)n2CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001269348794 785533823 /nfs/dbraw/zinc/53/38/23/785533823.db2.gz RGHFMRODIURWKS-VIFPVBQESA-N 1 0 336.400 -1.422 20 0 EAADRO CN(CC(=O)N1CCc2n[nH]c(C(=O)NCC3COC3)c2C1)C(N)=[NH2+] ZINC001269348795 785534382 /nfs/dbraw/zinc/53/43/82/785534382.db2.gz RHIDWFLOZDTRDB-UHFFFAOYSA-N 1 0 349.395 -1.504 20 0 EAADRO CN(CC(=O)N1CCn2c(nnc2C(=O)Nc2nnco2)C1)C(N)=[NH2+] ZINC001269348796 785534464 /nfs/dbraw/zinc/53/44/64/785534464.db2.gz RJIXTDZMBZHHEU-UHFFFAOYSA-N 1 0 348.327 -1.919 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@@H](C(=O)Nc1cn[nH]c1)O2)C(N)=[NH2+] ZINC001269348797 785534404 /nfs/dbraw/zinc/53/44/04/785534404.db2.gz RLEQDEQWYWWJOH-JTQLQIEISA-N 1 0 335.368 -1.067 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@H](C(=O)Nc1cn[nH]c1)O2)C(N)=[NH2+] ZINC001269348798 785533923 /nfs/dbraw/zinc/53/39/23/785533923.db2.gz RLEQDEQWYWWJOH-SNVBAGLBSA-N 1 0 335.368 -1.067 20 0 EAADRO CN(CC(=O)NC12CC(C(=O)N3CC4(CC(O)C4)C3)(C1)C2)C(N)=[NH2+] ZINC001269348801 785533771 /nfs/dbraw/zinc/53/37/71/785533771.db2.gz RPAXYYSQOPFZIW-UHFFFAOYSA-N 1 0 335.408 -1.166 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C(C(=O)NCC3COC3)=NO[C@@H]2C1)C(N)=[NH2+] ZINC001269348803 785533727 /nfs/dbraw/zinc/53/37/27/785533727.db2.gz RRIZKENADRRMOP-VHSXEESVSA-N 1 0 338.368 -2.213 20 0 EAADRO CN(CC(=O)N1Cc2[nH]nc(C(=O)Nc3nnco3)c2C1)C(N)=[NH2+] ZINC001269348835 785533599 /nfs/dbraw/zinc/53/35/99/785533599.db2.gz SUZNKNVKYXFEDL-UHFFFAOYSA-N 1 0 333.312 -1.288 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C(C(=O)N3CCCCO3)=NO[C@@H]2C1)C(N)=[NH2+] ZINC001269348861 785534157 /nfs/dbraw/zinc/53/41/57/785534157.db2.gz SYZKSJWYHBZHFB-VHSXEESVSA-N 1 0 338.368 -1.421 20 0 EAADRO CN(CC(=O)N1CCn2c(nnc2C(=O)Nc2cn[nH]c2)C1)C(N)=[NH2+] ZINC001269348875 785533629 /nfs/dbraw/zinc/53/36/29/785533629.db2.gz TWLOPMXWEVMRON-UHFFFAOYSA-N 1 0 346.355 -1.579 20 0 EAADRO CN(CC(=O)N1CCn2cc(C(=O)Nc3nnco3)nc2C1)C(N)=[NH2+] ZINC001269348901 785534278 /nfs/dbraw/zinc/53/42/78/785534278.db2.gz TZVQNJZESBGYGQ-UHFFFAOYSA-N 1 0 347.339 -1.314 20 0 EAADRO CN(CC(=O)N1CCn2cc(C(=O)NCC3COC3)nc2C1)C(N)=[NH2+] ZINC001269348909 785533684 /nfs/dbraw/zinc/53/36/84/785533684.db2.gz UCSVWKFRECTONJ-UHFFFAOYSA-N 1 0 349.395 -1.573 20 0 EAADRO CN(CC(=O)N1CC2(C[C@@H]2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001269348979 785534322 /nfs/dbraw/zinc/53/43/22/785534322.db2.gz UUAUFAHZEYQMBC-SECBINFHSA-N 1 0 345.425 -2.179 20 0 EAADRO CN(CC(=O)N1CC2(C[C@H]2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001269348980 785534390 /nfs/dbraw/zinc/53/43/90/785534390.db2.gz UUAUFAHZEYQMBC-VIFPVBQESA-N 1 0 345.425 -2.179 20 0 EAADRO CN(CC(=O)N1CCn2c(ncc2C(=O)Nc2nnco2)C1)C(N)=[NH2+] ZINC001269349286 785535056 /nfs/dbraw/zinc/53/50/56/785535056.db2.gz UXRFSONYEZYTLS-UHFFFAOYSA-N 1 0 347.339 -1.314 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@H](C(=O)NCc1c[nH]cn1)O2)C(N)=[NH2+] ZINC001269349293 785535574 /nfs/dbraw/zinc/53/55/74/785535574.db2.gz VCHXRGJOKQKUEA-LLVKDONJSA-N 1 0 349.395 -1.389 20 0 EAADRO CN(CC(=O)N1CC2(C1)CC[C@@H](C(=O)NCc1c[nH]cn1)O2)C(N)=[NH2+] ZINC001269349294 785535804 /nfs/dbraw/zinc/53/58/04/785535804.db2.gz VCHXRGJOKQKUEA-NSHDSACASA-N 1 0 349.395 -1.389 20 0 EAADRO CN(CC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1nnnn1C)C(N)=[NH2+] ZINC001269349316 785535479 /nfs/dbraw/zinc/53/54/79/785535479.db2.gz VTVFIZHGNGQPOE-DOFRTFSJSA-N 1 0 349.399 -1.542 20 0 EAADRO CN(C)C(=O)[C@@H]1CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]1c1cn(C)cn1 ZINC001269349437 785535637 /nfs/dbraw/zinc/53/56/37/785535637.db2.gz WRODVHYTDZLTJZ-GHMZBOCLSA-N 1 0 335.412 -1.124 20 0 EAADRO CN(CC(=O)N1C[C@H](C(N)=O)[C@]2(C1)c1ccccc1NC2=O)C(N)=[NH2+] ZINC001269349443 785535356 /nfs/dbraw/zinc/53/53/56/785535356.db2.gz WUYGCOXIBIZNRN-HWPZZCPQSA-N 1 0 344.375 -1.355 20 0 EAADRO CN(CC(=O)N1C[C@@H](C(N)=O)[C@@]2(C1)c1ccccc1NC2=O)C(N)=[NH2+] ZINC001269349444 785535818 /nfs/dbraw/zinc/53/58/18/785535818.db2.gz WUYGCOXIBIZNRN-MGPLVRAMSA-N 1 0 344.375 -1.355 20 0 EAADRO CN(CC(=O)N1C[C@@H](C(N)=O)[C@]2(C1)c1ccccc1NC2=O)C(N)=[NH2+] ZINC001269349445 785535822 /nfs/dbraw/zinc/53/58/22/785535822.db2.gz WUYGCOXIBIZNRN-QFYYESIMSA-N 1 0 344.375 -1.355 20 0 EAADRO CN(CC(=O)N1C[C@H](C(N)=O)[C@@]2(C1)c1ccccc1NC2=O)C(N)=[NH2+] ZINC001269349446 785535627 /nfs/dbraw/zinc/53/56/27/785535627.db2.gz WUYGCOXIBIZNRN-QLJPJBMISA-N 1 0 344.375 -1.355 20 0 EAADRO CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CC2(CC(O)C2)C1)C(N)=[NH2+] ZINC001269349464 785535040 /nfs/dbraw/zinc/53/50/40/785535040.db2.gz XFHDIKQLZMRSJC-HWPZZCPQSA-N 1 0 335.408 -1.214 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)N1CC2(CC(O)C2)C1)C(N)=[NH2+] ZINC001269349465 785534985 /nfs/dbraw/zinc/53/49/85/785534985.db2.gz XFHDIKQLZMRSJC-MGPLVRAMSA-N 1 0 335.408 -1.214 20 0 EAADRO Cc1nc(CNC(=O)[C@H]2CC23CN(C(=O)CN(C)C(N)=[NH2+])C3)no1 ZINC001269349750 785534903 /nfs/dbraw/zinc/53/49/03/785534903.db2.gz XVGDJYDMOIYBOV-SECBINFHSA-N 1 0 335.368 -1.332 20 0 EAADRO Cc1nc(CNC(=O)[C@@H]2CC23CN(C(=O)CN(C)C(N)=[NH2+])C3)no1 ZINC001269349752 785535557 /nfs/dbraw/zinc/53/55/57/785535557.db2.gz XVGDJYDMOIYBOV-VIFPVBQESA-N 1 0 335.368 -1.332 20 0 EAADRO COCCN(C)C(=O)C1=NO[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]12 ZINC001269349761 785535252 /nfs/dbraw/zinc/53/52/52/785535252.db2.gz YBSSSEMFIMNYNI-VHSXEESVSA-N 1 0 340.384 -1.870 20 0 EAADRO CN(CC(=O)N1CCn2c(C(=O)NCC3COC3)cnc2C1)C(N)=[NH2+] ZINC001269349767 785535410 /nfs/dbraw/zinc/53/54/10/785535410.db2.gz YEZPUNTWEXGTTJ-UHFFFAOYSA-N 1 0 349.395 -1.573 20 0 EAADRO CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)NCCn2ccnn2)C1)C(N)=[NH2+] ZINC001269349782 785535098 /nfs/dbraw/zinc/53/50/98/785535098.db2.gz YGMQLXJHFQDKQR-QMTHXVAHSA-N 1 0 334.384 -1.932 20 0 EAADRO COCCN(C)C(=O)[C@H]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)O1 ZINC001269349822 785534774 /nfs/dbraw/zinc/53/47/74/785534774.db2.gz YRBXHPWCXXESOS-LLVKDONJSA-N 1 0 341.412 -1.324 20 0 EAADRO COCCN(C)C(=O)[C@@H]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)O1 ZINC001269349824 785535620 /nfs/dbraw/zinc/53/56/20/785535620.db2.gz YRBXHPWCXXESOS-NSHDSACASA-N 1 0 341.412 -1.324 20 0 EAADRO CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)NCc1ccnn1C)C(N)=[NH2+] ZINC001269349834 785534837 /nfs/dbraw/zinc/53/48/37/785534837.db2.gz YSELLBFLPYLLOD-BMIGLBTASA-N 1 0 333.396 -1.147 20 0 EAADRO CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)NCc1ccnn1C)C(N)=[NH2+] ZINC001269349843 785535068 /nfs/dbraw/zinc/53/50/68/785535068.db2.gz YSELLBFLPYLLOD-ZUZCIYMTSA-N 1 0 333.396 -1.147 20 0 EAADRO CN(CC(=O)N1Cc2n[nH]c(C(=O)NCC3COC3)c2C1)C(N)=[NH2+] ZINC001269349935 785535106 /nfs/dbraw/zinc/53/51/06/785535106.db2.gz ZOXJQDQVAOSBPD-UHFFFAOYSA-N 1 0 335.368 -1.547 20 0 EAADRO CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001269349963 785535489 /nfs/dbraw/zinc/53/54/89/785535489.db2.gz ZSNKHJYYKMMTBM-NOZJJQNGSA-N 1 0 345.425 -2.179 20 0 EAADRO CC(=O)NCC(=O)NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001269361926 785537073 /nfs/dbraw/zinc/53/70/73/785537073.db2.gz MTMMTOINHLJNCC-UHFFFAOYSA-N 1 0 325.369 -1.697 20 0 EAADRO CC[C@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]CCNS(C)(=O)=O ZINC001269366674 785536074 /nfs/dbraw/zinc/53/60/74/785536074.db2.gz RYIPOMOEUMRTRX-GFCCVEGCSA-N 1 0 330.410 -1.033 20 0 EAADRO CC[C@@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]CCNS(C)(=O)=O ZINC001269366675 785536842 /nfs/dbraw/zinc/53/68/42/785536842.db2.gz RYIPOMOEUMRTRX-LBPRGKRZSA-N 1 0 330.410 -1.033 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)OCC1=O ZINC001269367339 785536900 /nfs/dbraw/zinc/53/69/00/785536900.db2.gz HWEQZZARKAUNJV-UHFFFAOYSA-N 1 0 335.364 -1.615 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 ZINC001269367440 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1 0 339.396 -2.435 20 0 EAADRO CC[C@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001269447445 785541316 /nfs/dbraw/zinc/54/13/16/785541316.db2.gz BMKDPHSXEQKFJZ-MNOVXSKESA-N 1 0 339.396 -2.435 20 0 EAADRO CC[C@@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001269447446 785541118 /nfs/dbraw/zinc/54/11/18/785541118.db2.gz BMKDPHSXEQKFJZ-QWRGUYRKSA-N 1 0 339.396 -2.435 20 0 EAADRO CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001269447447 785541071 /nfs/dbraw/zinc/54/10/71/785541071.db2.gz BMKDPHSXEQKFJZ-WDEREUQCSA-N 1 0 339.396 -2.435 20 0 EAADRO Cn1ccc(=O)c(C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CC2)c1 ZINC001269450544 785540746 /nfs/dbraw/zinc/54/07/46/785540746.db2.gz BJNTVMDXGFPMTE-UHFFFAOYSA-N 1 0 342.421 -1.214 20 0 EAADRO COc1nccc(C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CC2)n1 ZINC001269451198 785542361 /nfs/dbraw/zinc/54/23/61/785542361.db2.gz MGJIZDKLIGABTE-UHFFFAOYSA-N 1 0 343.409 -1.114 20 0 EAADRO CCOCC[NH2+]C1(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001269455075 785542882 /nfs/dbraw/zinc/54/28/82/785542882.db2.gz DFKUBECORVDKNM-JTQLQIEISA-N 1 0 333.410 -1.826 20 0 EAADRO CC[C@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001269456208 785542236 /nfs/dbraw/zinc/54/22/36/785542236.db2.gz YXDGQBQCHIAVLD-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CC[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001269456210 785542383 /nfs/dbraw/zinc/54/23/83/785542383.db2.gz YXDGQBQCHIAVLD-MNOVXSKESA-N 1 0 339.396 -1.499 20 0 EAADRO CC[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001269456211 785542267 /nfs/dbraw/zinc/54/22/67/785542267.db2.gz YXDGQBQCHIAVLD-QWRGUYRKSA-N 1 0 339.396 -1.499 20 0 EAADRO CC[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CCN1C(=O)CNC1=O ZINC001269456212 785542466 /nfs/dbraw/zinc/54/24/66/785542466.db2.gz YXDGQBQCHIAVLD-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]CCNS(C)(=O)=O ZINC001269456224 785542634 /nfs/dbraw/zinc/54/26/34/785542634.db2.gz ZEPWFDIGUKABOL-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]CCNS(C)(=O)=O ZINC001269456235 785542064 /nfs/dbraw/zinc/54/20/64/785542064.db2.gz ZEPWFDIGUKABOL-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO CC[C@@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001269459796 785542761 /nfs/dbraw/zinc/54/27/61/785542761.db2.gz BWODGRPPWCEKCH-NEPJUHHUSA-N 1 0 340.424 -1.016 20 0 EAADRO CC[C@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001269459798 785542493 /nfs/dbraw/zinc/54/24/93/785542493.db2.gz BWODGRPPWCEKCH-NWDGAFQWSA-N 1 0 340.424 -1.016 20 0 EAADRO CC[C@@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001269459799 785542576 /nfs/dbraw/zinc/54/25/76/785542576.db2.gz BWODGRPPWCEKCH-RYUDHWBXSA-N 1 0 340.424 -1.016 20 0 EAADRO CC[C@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001269459800 785542648 /nfs/dbraw/zinc/54/26/48/785542648.db2.gz BWODGRPPWCEKCH-VXGBXAGGSA-N 1 0 340.424 -1.016 20 0 EAADRO CC[C@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001269460103 785542449 /nfs/dbraw/zinc/54/24/49/785542449.db2.gz DTVXDKHHSMCALQ-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO CC[C@@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001269460104 785542707 /nfs/dbraw/zinc/54/27/07/785542707.db2.gz DTVXDKHHSMCALQ-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO CC[C@H](CNC(=O)C(N)=O)[NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC001269460125 785542819 /nfs/dbraw/zinc/54/28/19/785542819.db2.gz FCFVCDUILJFTRT-NEPJUHHUSA-N 1 0 341.412 -1.917 20 0 EAADRO CC[C@@H](CNC(=O)C(N)=O)[NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC001269460126 785542601 /nfs/dbraw/zinc/54/26/01/785542601.db2.gz FCFVCDUILJFTRT-NWDGAFQWSA-N 1 0 341.412 -1.917 20 0 EAADRO CC[C@@H](CNC(=O)C(N)=O)[NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC001269460127 785541989 /nfs/dbraw/zinc/54/19/89/785541989.db2.gz FCFVCDUILJFTRT-RYUDHWBXSA-N 1 0 341.412 -1.917 20 0 EAADRO CC[C@H](CNC(=O)C(N)=O)[NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC001269460128 785542348 /nfs/dbraw/zinc/54/23/48/785542348.db2.gz FCFVCDUILJFTRT-VXGBXAGGSA-N 1 0 341.412 -1.917 20 0 EAADRO CN1C[C@H](C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CC2)NC1=O ZINC001269463845 785542767 /nfs/dbraw/zinc/54/27/67/785542767.db2.gz CHTHVPBCKBQUHD-SECBINFHSA-N 1 0 333.414 -2.202 20 0 EAADRO CN1C[C@@H](C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CC2)NC1=O ZINC001269463848 785542539 /nfs/dbraw/zinc/54/25/39/785542539.db2.gz CHTHVPBCKBQUHD-VIFPVBQESA-N 1 0 333.414 -2.202 20 0 EAADRO O=C(C[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CC1)Nc1cnccn1 ZINC001269464144 785542791 /nfs/dbraw/zinc/54/27/91/785542791.db2.gz HKOCZITZGMLUNG-JTQLQIEISA-N 1 0 332.364 -1.210 20 0 EAADRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CC1)Nc1cnccn1 ZINC001269464145 785542891 /nfs/dbraw/zinc/54/28/91/785542891.db2.gz HKOCZITZGMLUNG-SNVBAGLBSA-N 1 0 332.364 -1.210 20 0 EAADRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CC1)NC1CCOCC1 ZINC001269464943 785542866 /nfs/dbraw/zinc/54/28/66/785542866.db2.gz RBFTWGXBNVQONE-GFCCVEGCSA-N 1 0 338.408 -1.344 20 0 EAADRO O=C(C[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CC1)NC1CCOCC1 ZINC001269464944 785542512 /nfs/dbraw/zinc/54/25/12/785542512.db2.gz RBFTWGXBNVQONE-LBPRGKRZSA-N 1 0 338.408 -1.344 20 0 EAADRO Cn1c(C[NH2+]C2(CNC(=O)[C@@H]3CCNC3=O)CC2)cc(=O)n(C)c1=O ZINC001269465166 785542855 /nfs/dbraw/zinc/54/28/55/785542855.db2.gz VLTHSTLFJJQZHC-LLVKDONJSA-N 1 0 349.391 -2.042 20 0 EAADRO Cn1c(C[NH2+]C2(CNC(=O)[C@H]3CCNC3=O)CC2)cc(=O)n(C)c1=O ZINC001269465168 785542741 /nfs/dbraw/zinc/54/27/41/785542741.db2.gz VLTHSTLFJJQZHC-NSHDSACASA-N 1 0 349.391 -2.042 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001269465214 785541825 /nfs/dbraw/zinc/54/18/25/785541825.db2.gz WNXVRLDUKLAVIM-NXEZZACHSA-N 1 0 339.396 -1.405 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001269465216 785542250 /nfs/dbraw/zinc/54/22/50/785542250.db2.gz WNXVRLDUKLAVIM-UWVGGRQHSA-N 1 0 339.396 -1.405 20 0 EAADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001269465218 785542559 /nfs/dbraw/zinc/54/25/59/785542559.db2.gz WNXVRLDUKLAVIM-VHSXEESVSA-N 1 0 339.396 -1.405 20 0 EAADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001269465219 785542841 /nfs/dbraw/zinc/54/28/41/785542841.db2.gz WNXVRLDUKLAVIM-ZJUUUORDSA-N 1 0 339.396 -1.405 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC001269468434 785544052 /nfs/dbraw/zinc/54/40/52/785544052.db2.gz JRICMBUDZIFBRW-NSHDSACASA-N 1 0 346.453 -1.215 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]C1(CNC(=O)c2nnn(C)n2)CC1 ZINC001269469677 785543626 /nfs/dbraw/zinc/54/36/26/785543626.db2.gz WLWALUXGXWXJHJ-UHFFFAOYSA-N 1 0 345.429 -1.656 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001269480230 785543721 /nfs/dbraw/zinc/54/37/21/785543721.db2.gz DLVQHJRSGVAIGA-JTQLQIEISA-N 1 0 332.426 -1.269 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001269480231 785543979 /nfs/dbraw/zinc/54/39/79/785543979.db2.gz DLVQHJRSGVAIGA-SNVBAGLBSA-N 1 0 332.426 -1.269 20 0 EAADRO NC(=O)C1(C(=O)NCC2([NH2+]CC(=O)NC3CCOCC3)CC2)CC1 ZINC001269480684 785544477 /nfs/dbraw/zinc/54/44/77/785544477.db2.gz QAAYFHZNAYJVNF-UHFFFAOYSA-N 1 0 338.408 -1.215 20 0 EAADRO CC[C@H](CNC(=O)C1(C(=O)NC)CC1)[NH2+]CC(=O)NC(=O)NC ZINC001269481607 785543570 /nfs/dbraw/zinc/54/35/70/785543570.db2.gz CQRGZBXMUHUWCR-SECBINFHSA-N 1 0 327.385 -1.547 20 0 EAADRO CC[C@@H](CNC(=O)C1(C(=O)NC)CC1)[NH2+]CC(=O)NC(=O)NC ZINC001269481608 785544634 /nfs/dbraw/zinc/54/46/34/785544634.db2.gz CQRGZBXMUHUWCR-VIFPVBQESA-N 1 0 327.385 -1.547 20 0 EAADRO CC[C@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001269482221 785544124 /nfs/dbraw/zinc/54/41/24/785544124.db2.gz PXJHVXLOYVUSAV-SECBINFHSA-N 1 0 338.368 -1.854 20 0 EAADRO CC[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001269482222 785544388 /nfs/dbraw/zinc/54/43/88/785544388.db2.gz PXJHVXLOYVUSAV-VIFPVBQESA-N 1 0 338.368 -1.854 20 0 EAADRO CC[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@H](C)C(N)=O ZINC001269482235 785543875 /nfs/dbraw/zinc/54/38/75/785543875.db2.gz PZMUYTDCJLQIGW-NXEZZACHSA-N 1 0 325.369 -1.715 20 0 EAADRO CC[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H](C)C(N)=O ZINC001269482236 785544335 /nfs/dbraw/zinc/54/43/35/785544335.db2.gz PZMUYTDCJLQIGW-UWVGGRQHSA-N 1 0 325.369 -1.715 20 0 EAADRO CC[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H](C)C(N)=O ZINC001269482237 785543346 /nfs/dbraw/zinc/54/33/46/785543346.db2.gz PZMUYTDCJLQIGW-VHSXEESVSA-N 1 0 325.369 -1.715 20 0 EAADRO CC[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@H](C)C(N)=O ZINC001269482238 785544242 /nfs/dbraw/zinc/54/42/42/785544242.db2.gz PZMUYTDCJLQIGW-ZJUUUORDSA-N 1 0 325.369 -1.715 20 0 EAADRO CC[C@@H](CNC(=O)c1cn(CC)nn1)[NH2+]CCN1C(=O)CNC1=O ZINC001269487535 785543231 /nfs/dbraw/zinc/54/32/31/785543231.db2.gz VDAVMKIRXBRJKK-JTQLQIEISA-N 1 0 337.384 -1.052 20 0 EAADRO CC[C@H](CNC(=O)c1cn(CC)nn1)[NH2+]CCN1C(=O)CNC1=O ZINC001269487536 785544042 /nfs/dbraw/zinc/54/40/42/785544042.db2.gz VDAVMKIRXBRJKK-SNVBAGLBSA-N 1 0 337.384 -1.052 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@]2(C)CCNC2=O)CC1 ZINC001269489292 785543413 /nfs/dbraw/zinc/54/34/13/785543413.db2.gz MEAXIRKGQJPONY-CYBMUJFWSA-N 1 0 325.369 -1.793 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@]2(C)CCNC2=O)CC1 ZINC001269489293 785544218 /nfs/dbraw/zinc/54/42/18/785544218.db2.gz MEAXIRKGQJPONY-ZDUSSCGKSA-N 1 0 325.369 -1.793 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001269492140 785543809 /nfs/dbraw/zinc/54/38/09/785543809.db2.gz JPIFMTWKVSOHRK-JTQLQIEISA-N 1 0 327.385 -1.499 20 0 EAADRO CCNC(=O)C[NH2+][C@H](CC)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001269492143 785544283 /nfs/dbraw/zinc/54/42/83/785544283.db2.gz JPIFMTWKVSOHRK-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO CC[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]CC(=O)N(C)CC ZINC001269492316 785543912 /nfs/dbraw/zinc/54/39/12/785543912.db2.gz LRONHNGJURYECA-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO CC[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]CC(=O)N(C)CC ZINC001269492317 785544545 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C[NH+](C)CCN1CCC2(CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)C1 ZINC001269509821 785545210 /nfs/dbraw/zinc/54/52/10/785545210.db2.gz AJAZPWCPOYQMBA-RBSFLKMASA-N 1 0 339.436 -1.505 20 0 EAADRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001269509847 785545890 /nfs/dbraw/zinc/54/58/90/785545890.db2.gz ATZNQINBNRWCPC-YIDVYQOGSA-N 1 0 339.436 -1.364 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2 ZINC001269509935 785544983 /nfs/dbraw/zinc/54/49/83/785544983.db2.gz CCOPGIALZSWVIG-MGPQQGTHSA-N 1 0 325.409 -1.895 20 0 EAADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001269509974 785545765 /nfs/dbraw/zinc/54/57/65/785545765.db2.gz DERNRTXBUCHCOO-AALSBFMBSA-N 1 0 339.436 -1.364 20 0 EAADRO C[NH+](C)CCN1CCC12CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2 ZINC001269510014 785544941 /nfs/dbraw/zinc/54/49/41/785544941.db2.gz DWJVSDBXWGJXRS-MGPQQGTHSA-N 1 0 325.409 -1.753 20 0 EAADRO 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CCN1CC[C@H]([NH2+]C2(CNC(=O)CN3C(=O)CNC3=O)CC2)C1=O ZINC001269530650 785546323 /nfs/dbraw/zinc/54/63/23/785546323.db2.gz SUBAWGONXRJVAO-JTQLQIEISA-N 1 0 337.380 -1.603 20 0 EAADRO CCN1CC[C@@H]([NH2+]C2(CNC(=O)CN3C(=O)CNC3=O)CC2)C1=O ZINC001269530651 785546848 /nfs/dbraw/zinc/54/68/48/785546848.db2.gz SUBAWGONXRJVAO-SNVBAGLBSA-N 1 0 337.380 -1.603 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001269535152 785547052 /nfs/dbraw/zinc/54/70/52/785547052.db2.gz ADNOKIYRRPKPFZ-JTQLQIEISA-N 1 0 335.368 -1.495 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001269535153 785546681 /nfs/dbraw/zinc/54/66/81/785546681.db2.gz ADNOKIYRRPKPFZ-SNVBAGLBSA-N 1 0 335.368 -1.495 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001269535512 785546099 /nfs/dbraw/zinc/54/60/99/785546099.db2.gz PCPHTAFSMNMWAB-JTQLQIEISA-N 1 0 337.380 -1.555 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001269535513 785546465 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O=C(C[C@@H]1CC(=O)NC1=O)NCC1([NH2+]CCN2CCCC2=O)CC1 ZINC001269548460 785546196 /nfs/dbraw/zinc/54/61/96/785546196.db2.gz KKSRBGXKDSMJFR-LLVKDONJSA-N 1 0 336.392 -1.100 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC1([NH2+]CCN2CCCC2=O)CC1 ZINC001269548461 785546525 /nfs/dbraw/zinc/54/65/25/785546525.db2.gz KKSRBGXKDSMJFR-NSHDSACASA-N 1 0 336.392 -1.100 20 0 EAADRO O=C(C[NH2+]C1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1)NCC1CC1 ZINC001269548769 785546719 /nfs/dbraw/zinc/54/67/19/785546719.db2.gz SUGFUOYXZYVJKW-LLVKDONJSA-N 1 0 336.392 -1.196 20 0 EAADRO O=C(C[NH2+]C1(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1)NCC1CC1 ZINC001269548770 785546937 /nfs/dbraw/zinc/54/69/37/785546937.db2.gz SUGFUOYXZYVJKW-NSHDSACASA-N 1 0 336.392 -1.196 20 0 EAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001269553251 785546579 /nfs/dbraw/zinc/54/65/79/785546579.db2.gz PXBHELIIIZYZMD-LLVKDONJSA-N 1 0 339.396 -1.512 20 0 EAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001269553252 785546738 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C[C@H](O)C[NH2+]CC1(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CCCC1 ZINC001269579653 785551269 /nfs/dbraw/zinc/55/12/69/785551269.db2.gz PRRLOSYPORPTOI-JTQLQIEISA-N 1 0 340.380 -1.194 20 0 EAADRO C[C@@H](O)C[NH2+]CC1(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CCCC1 ZINC001269579659 785550257 /nfs/dbraw/zinc/55/02/57/785550257.db2.gz PRRLOSYPORPTOI-SNVBAGLBSA-N 1 0 340.380 -1.194 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001269584134 785552377 /nfs/dbraw/zinc/55/23/77/785552377.db2.gz SXHSRLSLLWZEAN-HZSPNIEDSA-N 1 0 343.424 -1.049 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001269584138 785553250 /nfs/dbraw/zinc/55/32/50/785553250.db2.gz SXHSRLSLLWZEAN-RDBSUJKOSA-N 1 0 343.424 -1.049 20 0 EAADRO O=C(Cc1nc[nH]n1)NC1(C[NH2+]CCN2C(=O)CNC2=O)CCCC1 ZINC001269588638 785552892 /nfs/dbraw/zinc/55/28/92/785552892.db2.gz SMZURTADACTYFM-UHFFFAOYSA-N 1 0 349.395 -1.082 20 0 EAADRO C[C@@](C[NH2+][C@H]1CCC(=O)NC1=O)(NC(=O)Cn1ncnn1)C1CC1 ZINC001269615272 785552669 /nfs/dbraw/zinc/55/26/69/785552669.db2.gz QLAOPXXPLWGNJX-HZMBPMFUSA-N 1 0 335.368 -1.647 20 0 EAADRO C[C@](C[NH2+][C@H]1CCC(=O)NC1=O)(NC(=O)Cn1ncnn1)C1CC1 ZINC001269615273 785552699 /nfs/dbraw/zinc/55/26/99/785552699.db2.gz QLAOPXXPLWGNJX-IINYFYTJSA-N 1 0 335.368 -1.647 20 0 EAADRO C[C@](C[NH2+][C@@H]1CCC(=O)NC1=O)(NC(=O)Cn1ncnn1)C1CC1 ZINC001269615274 785552107 /nfs/dbraw/zinc/55/21/07/785552107.db2.gz QLAOPXXPLWGNJX-QMTHXVAHSA-N 1 0 335.368 -1.647 20 0 EAADRO C[C@@](C[NH2+][C@@H]1CCC(=O)NC1=O)(NC(=O)Cn1ncnn1)C1CC1 ZINC001269615275 785552570 /nfs/dbraw/zinc/55/25/70/785552570.db2.gz QLAOPXXPLWGNJX-YGRLFVJLSA-N 1 0 335.368 -1.647 20 0 EAADRO Cn1cc(C(=O)N[C@@](C)(C[NH2+]CCN2C(=O)CNC2=O)C2CC2)nn1 ZINC001269615637 785552195 /nfs/dbraw/zinc/55/21/95/785552195.db2.gz WJTZPRIGBQBCLA-HNNXBMFYSA-N 1 0 349.395 -1.145 20 0 EAADRO Cn1cc(C(=O)N[C@](C)(C[NH2+]CCN2C(=O)CNC2=O)C2CC2)nn1 ZINC001269615638 785552454 /nfs/dbraw/zinc/55/24/54/785552454.db2.gz WJTZPRIGBQBCLA-OAHLLOKOSA-N 1 0 349.395 -1.145 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@](C)(NC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001269619886 785554767 /nfs/dbraw/zinc/55/47/67/785554767.db2.gz VZARDJUNWLODQQ-BONVTDFDSA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1ncnc1C[NH2+]C[C@@](C)(NC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001269619888 785553888 /nfs/dbraw/zinc/55/38/88/785553888.db2.gz VZARDJUNWLODQQ-ZUZCIYMTSA-N 1 0 349.395 -1.212 20 0 EAADRO C[C@@](C[NH2+]CCF)(NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001269625931 785556193 /nfs/dbraw/zinc/55/61/93/785556193.db2.gz FVHVPWCRTZOYKN-GWCFXTLKSA-N 1 0 335.401 -1.256 20 0 EAADRO C[C@](C[NH2+]CCF)(NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001269625932 785555945 /nfs/dbraw/zinc/55/59/45/785555945.db2.gz FVHVPWCRTZOYKN-GXFFZTMASA-N 1 0 335.401 -1.256 20 0 EAADRO C[C@@](C[NH2+]CC(=O)NC1CCOCC1)(NC(=O)C(N)=O)C1CC1 ZINC001269633966 785555965 /nfs/dbraw/zinc/55/59/65/785555965.db2.gz IHSSYSWWPQMPPC-HNNXBMFYSA-N 1 0 326.397 -1.359 20 0 EAADRO C[C@](C[NH2+]CC(=O)NC1CCOCC1)(NC(=O)C(N)=O)C1CC1 ZINC001269633967 785555752 /nfs/dbraw/zinc/55/57/52/785555752.db2.gz IHSSYSWWPQMPPC-OAHLLOKOSA-N 1 0 326.397 -1.359 20 0 EAADRO C[C@](C[NH2+]CCCS(C)(=O)=O)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001269634844 785555795 /nfs/dbraw/zinc/55/57/95/785555795.db2.gz UTXZJLUBELEFPB-BXUZGUMPSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@@](C[NH2+]CCCS(C)(=O)=O)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001269634845 785555890 /nfs/dbraw/zinc/55/58/90/785555890.db2.gz UTXZJLUBELEFPB-FZMZJTMJSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@@](C[NH2+]CCCS(C)(=O)=O)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001269634846 785555457 /nfs/dbraw/zinc/55/54/57/785555457.db2.gz UTXZJLUBELEFPB-RISCZKNCSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@](C[NH2+]CCCS(C)(=O)=O)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001269634847 785555631 /nfs/dbraw/zinc/55/56/31/785555631.db2.gz UTXZJLUBELEFPB-SMDDNHRTSA-N 1 0 346.453 -1.023 20 0 EAADRO Cn1cc(C(=O)N[C@@](C)(C[NH2+]CCCO)C2CC2)c(=O)n(C)c1=O ZINC001269638993 785555842 /nfs/dbraw/zinc/55/58/42/785555842.db2.gz RUXFSYGVGNQONN-INIZCTEOSA-N 1 0 338.408 -1.046 20 0 EAADRO Cn1cc(C(=O)N[C@](C)(C[NH2+]CCCO)C2CC2)c(=O)n(C)c1=O ZINC001269638994 785555847 /nfs/dbraw/zinc/55/58/47/785555847.db2.gz RUXFSYGVGNQONN-MRXNPFEDSA-N 1 0 338.408 -1.046 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@](C)(NC(=O)C1CC(=O)NC(=O)C1)C1CC1 ZINC001269639390 785555428 /nfs/dbraw/zinc/55/54/28/785555428.db2.gz VPKVMMGYVKEGMT-BLLLJJGKSA-N 1 0 341.408 -1.079 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@](C)(NC(=O)C1CC(=O)NC(=O)C1)C1CC1 ZINC001269639392 785555882 /nfs/dbraw/zinc/55/58/82/785555882.db2.gz VPKVMMGYVKEGMT-LRDDRELGSA-N 1 0 341.408 -1.079 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C[NH2+]CCO)C2CC2)C1=O ZINC001269639799 785555653 /nfs/dbraw/zinc/55/56/53/785555653.db2.gz YKFOQNZKPCQPFG-AWEZNQCLSA-N 1 0 326.353 -1.726 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@](C)(C[NH2+]CCO)C2CC2)C1=O ZINC001269639800 785555269 /nfs/dbraw/zinc/55/52/69/785555269.db2.gz YKFOQNZKPCQPFG-CQSZACIVSA-N 1 0 326.353 -1.726 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1=O ZINC001269645432 785556106 /nfs/dbraw/zinc/55/61/06/785556106.db2.gz OEXNSXDVRJJARU-AWEZNQCLSA-N 1 0 325.369 -1.760 20 0 EAADRO CN1C(=O)CN(CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1=O ZINC001269645433 785555978 /nfs/dbraw/zinc/55/59/78/785555978.db2.gz OEXNSXDVRJJARU-CQSZACIVSA-N 1 0 325.369 -1.760 20 0 EAADRO Cc1nc(CC(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)no1 ZINC001269666959 785556691 /nfs/dbraw/zinc/55/66/91/785556691.db2.gz WFSKGDXNSKIWJC-UHFFFAOYSA-N 1 0 337.380 -1.078 20 0 EAADRO Cc1nc(CC(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)no1 ZINC001269667119 785557523 /nfs/dbraw/zinc/55/75/23/785557523.db2.gz WNPIPSFSNSDKTH-UHFFFAOYSA-N 1 0 337.380 -1.078 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@]1(C[NH2+]CCO)CCCC[C@@H]1C ZINC001269668662 785557555 /nfs/dbraw/zinc/55/75/55/785557555.db2.gz GCFRPVMJAAHKKM-AAEUAGOBSA-N 1 0 336.458 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@]1(C[NH2+]CCO)CCCC[C@H]1C ZINC001269668663 785557157 /nfs/dbraw/zinc/55/71/57/785557157.db2.gz GCFRPVMJAAHKKM-DGCLKSJQSA-N 1 0 336.458 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@@]1(C[NH2+]CCO)CCCC[C@@H]1C ZINC001269668664 785557326 /nfs/dbraw/zinc/55/73/26/785557326.db2.gz GCFRPVMJAAHKKM-WCQYABFASA-N 1 0 336.458 -1.313 20 0 EAADRO CNS(=O)(=O)NCC(=O)N[C@]1(C[NH2+]CCO)CCCC[C@H]1C ZINC001269668665 785557472 /nfs/dbraw/zinc/55/74/72/785557472.db2.gz GCFRPVMJAAHKKM-YPMHNXCESA-N 1 0 336.458 -1.313 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001269696789 785556782 /nfs/dbraw/zinc/55/67/82/785556782.db2.gz CVKNJYHWHZQYCN-NEPJUHHUSA-N 1 0 342.396 -1.185 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001269696790 785557335 /nfs/dbraw/zinc/55/73/35/785557335.db2.gz CVKNJYHWHZQYCN-NWDGAFQWSA-N 1 0 342.396 -1.185 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001269696791 785557234 /nfs/dbraw/zinc/55/72/34/785557234.db2.gz CVKNJYHWHZQYCN-RYUDHWBXSA-N 1 0 342.396 -1.185 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001269696792 785557265 /nfs/dbraw/zinc/55/72/65/785557265.db2.gz CVKNJYHWHZQYCN-VXGBXAGGSA-N 1 0 342.396 -1.185 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001269697969 785556937 /nfs/dbraw/zinc/55/69/37/785556937.db2.gz QIMNCCPJJJCLCB-GFCCVEGCSA-N 1 0 341.412 -1.122 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001269697970 785557604 /nfs/dbraw/zinc/55/76/04/785557604.db2.gz QIMNCCPJJJCLCB-LBPRGKRZSA-N 1 0 341.412 -1.122 20 0 EAADRO NC(=O)CC(=O)N1CCC2(C1)CC[NH+](CC(=O)NC(N)=O)CC2 ZINC001269703910 785556647 /nfs/dbraw/zinc/55/66/47/785556647.db2.gz HJFGFJPMKYTHIR-UHFFFAOYSA-N 1 0 325.369 -1.629 20 0 EAADRO COCCCNC(=O)C[NH+]1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001269708869 785557031 /nfs/dbraw/zinc/55/70/31/785557031.db2.gz KMNBQBCBUGPHGE-UHFFFAOYSA-N 1 0 340.424 -1.061 20 0 EAADRO COCCOC[C@H](O)C[NH+]1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001269709482 785557139 /nfs/dbraw/zinc/55/71/39/785557139.db2.gz ZTRYNKVMQYFXFA-CYBMUJFWSA-N 1 0 343.424 -1.190 20 0 EAADRO COCCOC[C@@H](O)C[NH+]1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001269709483 785557285 /nfs/dbraw/zinc/55/72/85/785557285.db2.gz ZTRYNKVMQYFXFA-ZDUSSCGKSA-N 1 0 343.424 -1.190 20 0 EAADRO CN(CC[NH2+]CC[C@H]1CCCN(C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001269711493 785556823 /nfs/dbraw/zinc/55/68/23/785556823.db2.gz KNAAZKJQRVZBOH-GFCCVEGCSA-N 1 0 348.469 -1.029 20 0 EAADRO CN(CC[NH2+]CC[C@@H]1CCCN(C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001269711494 785557538 /nfs/dbraw/zinc/55/75/38/785557538.db2.gz KNAAZKJQRVZBOH-LBPRGKRZSA-N 1 0 348.469 -1.029 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001269711964 785556997 /nfs/dbraw/zinc/55/69/97/785556997.db2.gz MNMBZJGWLDWECF-JTQLQIEISA-N 1 0 327.385 -1.464 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001269711965 785557344 /nfs/dbraw/zinc/55/73/44/785557344.db2.gz MNMBZJGWLDWECF-SNVBAGLBSA-N 1 0 327.385 -1.464 20 0 EAADRO Cn1nncc1C(=O)N1CCC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001269724127 785557368 /nfs/dbraw/zinc/55/73/68/785557368.db2.gz SLTGCADMKCUMBT-JTQLQIEISA-N 1 0 337.384 -1.158 20 0 EAADRO Cn1nncc1C(=O)N1CCC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001269724128 785557483 /nfs/dbraw/zinc/55/74/83/785557483.db2.gz SLTGCADMKCUMBT-SNVBAGLBSA-N 1 0 337.384 -1.158 20 0 EAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001269726127 785557498 /nfs/dbraw/zinc/55/74/98/785557498.db2.gz UBPJPIFBVABHSJ-CYBMUJFWSA-N 1 0 332.426 -1.665 20 0 EAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001269726128 785557206 /nfs/dbraw/zinc/55/72/06/785557206.db2.gz UBPJPIFBVABHSJ-ZDUSSCGKSA-N 1 0 332.426 -1.665 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001269729811 785558132 /nfs/dbraw/zinc/55/81/32/785558132.db2.gz HMTXUAJAPINYGU-CHWSQXEVSA-N 1 0 326.401 -1.101 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001269729812 785558686 /nfs/dbraw/zinc/55/86/86/785558686.db2.gz HMTXUAJAPINYGU-QWHCGFSZSA-N 1 0 326.401 -1.101 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001269733424 785556965 /nfs/dbraw/zinc/55/69/65/785556965.db2.gz ZOCOYTFWDRVMRN-HNNXBMFYSA-N 1 0 339.396 -1.383 20 0 EAADRO CC(C)(C(N)=O)C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001269733425 785556829 /nfs/dbraw/zinc/55/68/29/785556829.db2.gz ZOCOYTFWDRVMRN-OAHLLOKOSA-N 1 0 339.396 -1.383 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCC[C@H](CC[NH2+]CCO)C2)c1=O ZINC001269736266 785558476 /nfs/dbraw/zinc/55/84/76/785558476.db2.gz BNEDZIKYABYRGP-CYBMUJFWSA-N 1 0 338.408 -1.242 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](CC[NH2+]CCO)C2)c1=O ZINC001269736275 785558656 /nfs/dbraw/zinc/55/86/56/785558656.db2.gz BNEDZIKYABYRGP-ZDUSSCGKSA-N 1 0 338.408 -1.242 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC001269743358 785558044 /nfs/dbraw/zinc/55/80/44/785558044.db2.gz ZGCJRTCIGMVIIJ-HNNXBMFYSA-N 1 0 338.412 -1.004 20 0 EAADRO O=C(CCn1cnnn1)N1CC[C@@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC001269743359 785558561 /nfs/dbraw/zinc/55/85/61/785558561.db2.gz ZGCJRTCIGMVIIJ-OAHLLOKOSA-N 1 0 338.412 -1.004 20 0 EAADRO NC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001269747140 785558750 /nfs/dbraw/zinc/55/87/50/785558750.db2.gz OZUQQPGETYZVCF-LLVKDONJSA-N 1 0 337.380 -1.348 20 0 EAADRO NC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001269747141 785558768 /nfs/dbraw/zinc/55/87/68/785558768.db2.gz OZUQQPGETYZVCF-NSHDSACASA-N 1 0 337.380 -1.348 20 0 EAADRO CNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001269755626 785558487 /nfs/dbraw/zinc/55/84/87/785558487.db2.gz OBRRIYZWUIGHAG-CYBMUJFWSA-N 1 0 339.440 -1.618 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001269755627 785558320 /nfs/dbraw/zinc/55/83/20/785558320.db2.gz OBRRIYZWUIGHAG-ZDUSSCGKSA-N 1 0 339.440 -1.618 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001269791716 785561372 /nfs/dbraw/zinc/56/13/72/785561372.db2.gz QOUDHPGJHOHWAS-LLVKDONJSA-N 1 0 334.442 -1.419 20 0 EAADRO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001269791717 785560714 /nfs/dbraw/zinc/56/07/14/785560714.db2.gz QOUDHPGJHOHWAS-NSHDSACASA-N 1 0 334.442 -1.419 20 0 EAADRO Cc1nn(CC(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001269793253 785560739 /nfs/dbraw/zinc/56/07/39/785560739.db2.gz WWDAZGNYLFHXCB-GFCCVEGCSA-N 1 0 338.412 -1.406 20 0 EAADRO Cc1nn(CC(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)c(=O)n1C ZINC001269793258 785560955 /nfs/dbraw/zinc/56/09/55/785560955.db2.gz WWDAZGNYLFHXCB-LBPRGKRZSA-N 1 0 338.412 -1.406 20 0 EAADRO COCCOCN1C(=O)COCC12CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001269796246 785560550 /nfs/dbraw/zinc/56/05/50/785560550.db2.gz CISDRGZHCLGKRI-LBPRGKRZSA-N 1 0 329.397 -1.003 20 0 EAADRO CCNC(=O)CN1C[C@]2(CCN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001269796452 785560519 /nfs/dbraw/zinc/56/05/19/785560519.db2.gz DZXSSOFWGYSWFR-BLLLJJGKSA-N 1 0 340.424 -1.098 20 0 EAADRO CCNC(=O)CN1C[C@@]2(CCN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001269796453 785561486 /nfs/dbraw/zinc/56/14/86/785561486.db2.gz DZXSSOFWGYSWFR-LRDDRELGSA-N 1 0 340.424 -1.098 20 0 EAADRO COC(CN1C(=O)COCC12CN(C(=O)[C@H](C)[NH+](C)C)C2)OC ZINC001269796648 785561433 /nfs/dbraw/zinc/56/14/33/785561433.db2.gz HTJPJCHZHJWZPS-NSHDSACASA-N 1 0 329.397 -1.005 20 0 EAADRO CCNC(=O)CN1CC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001269796700 785560835 /nfs/dbraw/zinc/56/08/35/785560835.db2.gz JIPNCMDGCDRMBK-NSHDSACASA-N 1 0 326.397 -1.488 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2Cc1nncn1C)[NH+](C)C ZINC001269796720 785560413 /nfs/dbraw/zinc/56/04/13/785560413.db2.gz JYTHQAKQVGBMOV-NSHDSACASA-N 1 0 336.396 -1.295 20 0 EAADRO CNC(=O)C(C)(C)N1C(=O)COCC12CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001269796842 785560489 /nfs/dbraw/zinc/56/04/89/785560489.db2.gz KUZZRLGTQZPWCD-NSHDSACASA-N 1 0 340.424 -1.099 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2)[NH+](C)C ZINC001269796881 785561399 /nfs/dbraw/zinc/56/13/99/785561399.db2.gz MAHZNQHFOQMLSV-NWDGAFQWSA-N 1 0 338.408 -1.345 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2)[NH+](C)C ZINC001269796882 785560783 /nfs/dbraw/zinc/56/07/83/785560783.db2.gz MAHZNQHFOQMLSV-RYUDHWBXSA-N 1 0 338.408 -1.345 20 0 EAADRO COC(CN1CC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O)OC ZINC001269796895 785561242 /nfs/dbraw/zinc/56/12/42/785561242.db2.gz MODJMYZJUIGTLP-NSHDSACASA-N 1 0 329.397 -1.005 20 0 EAADRO CCNC(=O)CN1C(=O)COCC12CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001269797114 785560775 /nfs/dbraw/zinc/56/07/75/785560775.db2.gz PZOWLNKFWGWURX-NSHDSACASA-N 1 0 326.397 -1.488 20 0 EAADRO CNC(=O)C(C)(C)N1CC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001269797170 785560568 /nfs/dbraw/zinc/56/05/68/785560568.db2.gz RXYJGZRVEDGVMU-NSHDSACASA-N 1 0 340.424 -1.099 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CN(CCC(=O)N(C)C)C(=O)CO2)[NH+](C)C ZINC001269797177 785560758 /nfs/dbraw/zinc/56/07/58/785560758.db2.gz SEUVAIWTYQRTTQ-LBPRGKRZSA-N 1 0 340.424 -1.145 20 0 EAADRO CC[C@@H](C(N)=O)N1CC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001269797265 785560607 /nfs/dbraw/zinc/56/06/07/785560607.db2.gz UMWPRSXFXBMUQV-QWRGUYRKSA-N 1 0 326.397 -1.360 20 0 EAADRO CC[C@H](C(N)=O)N1CC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001269797272 785561118 /nfs/dbraw/zinc/56/11/18/785561118.db2.gz UMWPRSXFXBMUQV-WDEREUQCSA-N 1 0 326.397 -1.360 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2CCC(=O)N(C)C)[NH+](C)C ZINC001269797361 785561456 /nfs/dbraw/zinc/56/14/56/785561456.db2.gz VXTQMTFGYBNBAC-LBPRGKRZSA-N 1 0 340.424 -1.145 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2C[C@H]1CCC(=O)N1)[NH+](C)C ZINC001269797392 785561381 /nfs/dbraw/zinc/56/13/81/785561381.db2.gz WLCSPWZLWMIAQO-NWDGAFQWSA-N 1 0 338.408 -1.345 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001269797393 785560673 /nfs/dbraw/zinc/56/06/73/785560673.db2.gz WLCSPWZLWMIAQO-RYUDHWBXSA-N 1 0 338.408 -1.345 20 0 EAADRO CC[C@@H](C(N)=O)N1C(=O)COCC12CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001269797432 785561000 /nfs/dbraw/zinc/56/10/00/785561000.db2.gz XUZOVSSIULTIJO-QWRGUYRKSA-N 1 0 326.397 -1.360 20 0 EAADRO CC[C@H](C(N)=O)N1C(=O)COCC12CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001269797433 785561055 /nfs/dbraw/zinc/56/10/55/785561055.db2.gz XUZOVSSIULTIJO-WDEREUQCSA-N 1 0 326.397 -1.360 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CN(Cc1nncn1C)C(=O)CO2)[NH+](C)C ZINC001269797434 785560983 /nfs/dbraw/zinc/56/09/83/785560983.db2.gz XVBXIAQHKQPJDD-NSHDSACASA-N 1 0 336.396 -1.295 20 0 EAADRO COCCOCN1CC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001269797463 785560911 /nfs/dbraw/zinc/56/09/11/785560911.db2.gz YKNNWWNJTJIONP-LBPRGKRZSA-N 1 0 329.397 -1.003 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCC1CCN(C(=O)CNC(C)=O)CC1 ZINC001269812108 785560664 /nfs/dbraw/zinc/56/06/64/785560664.db2.gz VJIOBMKKCBEFSV-UHFFFAOYSA-N 1 0 341.412 -1.204 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCCNC1=O)C2 ZINC001269813779 785561409 /nfs/dbraw/zinc/56/14/09/785561409.db2.gz RTCGUQDHIFXCRT-GFCCVEGCSA-N 1 0 338.408 -1.486 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCCNC1=O)C2 ZINC001269813780 785561023 /nfs/dbraw/zinc/56/10/23/785561023.db2.gz RTCGUQDHIFXCRT-LBPRGKRZSA-N 1 0 338.408 -1.486 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CCCNC3=O)C2)OCC1=O ZINC001269814048 785562052 /nfs/dbraw/zinc/56/20/52/785562052.db2.gz YUAWTUYYVUIESC-GFCCVEGCSA-N 1 0 338.408 -1.486 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3CCCNC3=O)C2)OCC1=O ZINC001269814049 785561773 /nfs/dbraw/zinc/56/17/73/785561773.db2.gz YUAWTUYYVUIESC-LBPRGKRZSA-N 1 0 338.408 -1.486 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001269818959 785562396 /nfs/dbraw/zinc/56/23/96/785562396.db2.gz YYDPBAKRXSUKET-JTQLQIEISA-N 1 0 341.412 -1.076 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001269818960 785562330 /nfs/dbraw/zinc/56/23/30/785562330.db2.gz YYDPBAKRXSUKET-SNVBAGLBSA-N 1 0 341.412 -1.076 20 0 EAADRO COC[C@@H](O)C[NH2+]CCC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001269859929 785563498 /nfs/dbraw/zinc/56/34/98/785563498.db2.gz ZTBKWQYCRCHMPU-ZDUSSCGKSA-N 1 0 326.401 -1.101 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1cnn3c1OCC3)C2 ZINC001269861479 785564022 /nfs/dbraw/zinc/56/40/22/785564022.db2.gz LTFLODXFQNZDLM-UHFFFAOYSA-N 1 0 349.391 -1.110 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3cnn4c3OCC4)C2)OCC1=O ZINC001269861976 785563263 /nfs/dbraw/zinc/56/32/63/785563263.db2.gz SSNICECCNSAQDU-UHFFFAOYSA-N 1 0 349.391 -1.110 20 0 EAADRO CNC(=O)C[NH2+]CCC1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001269864492 785563653 /nfs/dbraw/zinc/56/36/53/785563653.db2.gz CBQBZVCQONGZOB-UHFFFAOYSA-N 1 0 348.469 -1.110 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001269877959 785563916 /nfs/dbraw/zinc/56/39/16/785563916.db2.gz WXYGGUGANBCBMD-UHFFFAOYSA-N 1 0 341.412 -2.058 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)C2 ZINC001269888006 785564884 /nfs/dbraw/zinc/56/48/84/785564884.db2.gz RVNCMOVTPQCJDO-UHFFFAOYSA-N 1 0 332.408 -1.054 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001269889712 785564082 /nfs/dbraw/zinc/56/40/82/785564082.db2.gz RGSIAYFFEGISRL-UHFFFAOYSA-N 1 0 335.430 -2.256 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]CCC2CCN(C(=O)C(N)=O)CC2)CCO1 ZINC001269902724 785564424 /nfs/dbraw/zinc/56/44/24/785564424.db2.gz SCQMOXZNTQJBDL-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]CCC2CCN(C(=O)C(N)=O)CC2)CCO1 ZINC001269902725 785564722 /nfs/dbraw/zinc/56/47/22/785564722.db2.gz SCQMOXZNTQJBDL-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C[C@@H]1C ZINC001269906093 785564448 /nfs/dbraw/zinc/56/44/48/785564448.db2.gz GYUYGTDQTWNVQI-CMPLNLGQSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C[C@@H]1C ZINC001269906094 785564394 /nfs/dbraw/zinc/56/43/94/785564394.db2.gz GYUYGTDQTWNVQI-JQWIXIFHSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C[C@H]1C ZINC001269906095 785565285 /nfs/dbraw/zinc/56/52/85/785565285.db2.gz GYUYGTDQTWNVQI-PWSUYJOCSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C[C@H]1C ZINC001269906096 785564802 /nfs/dbraw/zinc/56/48/02/785564802.db2.gz GYUYGTDQTWNVQI-ZYHUDNBSSA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3COCCO3)C2)OCC1=O ZINC001269919040 785566127 /nfs/dbraw/zinc/56/61/27/785566127.db2.gz HBVCTZWVROKDFP-BBRMVZONSA-N 1 0 341.408 -1.207 20 0 EAADRO C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3COCCO3)C2)OCC1=O ZINC001269919041 785566064 /nfs/dbraw/zinc/56/60/64/785566064.db2.gz HBVCTZWVROKDFP-CJNGLKHVSA-N 1 0 341.408 -1.207 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3COCCO3)C2)OCC1=O ZINC001269919042 785565940 /nfs/dbraw/zinc/56/59/40/785565940.db2.gz HBVCTZWVROKDFP-CZUORRHYSA-N 1 0 341.408 -1.207 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3COCCO3)C2)OCC1=O ZINC001269919043 785565590 /nfs/dbraw/zinc/56/55/90/785565590.db2.gz HBVCTZWVROKDFP-XJKSGUPXSA-N 1 0 341.408 -1.207 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1COCCO1)C2 ZINC001269919053 785565646 /nfs/dbraw/zinc/56/56/46/785565646.db2.gz HFDQGCKFIHXBBR-GFCCVEGCSA-N 1 0 327.381 -1.597 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1COCCO1)C2 ZINC001269919054 785565614 /nfs/dbraw/zinc/56/56/14/785565614.db2.gz HFDQGCKFIHXBBR-LBPRGKRZSA-N 1 0 327.381 -1.597 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3COCCO3)C2)OCC1=O ZINC001269919375 785565679 /nfs/dbraw/zinc/56/56/79/785565679.db2.gz OPPLARNCIJGQSI-GFCCVEGCSA-N 1 0 327.381 -1.597 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3COCCO3)C2)OCC1=O ZINC001269919376 785566176 /nfs/dbraw/zinc/56/61/76/785566176.db2.gz OPPLARNCIJGQSI-LBPRGKRZSA-N 1 0 327.381 -1.597 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@H]21 ZINC001269926515 785567583 /nfs/dbraw/zinc/56/75/83/785567583.db2.gz AKFNSTZMUDNVGY-NEPJUHHUSA-N 1 0 337.380 -1.025 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3c[nH]c(=O)[nH]c3=O)C[C@H](C1)O2 ZINC001269926671 785567010 /nfs/dbraw/zinc/56/70/10/785567010.db2.gz DYADCBFFLGEXSX-PHIMTYICSA-N 1 0 337.380 -1.025 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3c[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001269927495 785567204 /nfs/dbraw/zinc/56/72/04/785567204.db2.gz KBJZIOAAKCWMFO-NEPJUHHUSA-N 1 0 337.380 -1.025 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3c[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001269927496 785567641 /nfs/dbraw/zinc/56/76/41/785567641.db2.gz KBJZIOAAKCWMFO-RYUDHWBXSA-N 1 0 337.380 -1.025 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1c[nH]c(=O)[nH]c1=O ZINC001269927598 785567223 /nfs/dbraw/zinc/56/72/23/785567223.db2.gz MLJNFICENYYFMA-PHIMTYICSA-N 1 0 337.380 -1.025 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001269928506 785566788 /nfs/dbraw/zinc/56/67/88/785566788.db2.gz SUFYUXYGGSKOBL-UHFFFAOYSA-N 1 0 338.408 -1.534 20 0 EAADRO CC(=O)N1CC(C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001269928553 785566724 /nfs/dbraw/zinc/56/67/24/785566724.db2.gz VCDJPFPIHRXNSS-UHFFFAOYSA-N 1 0 338.408 -1.534 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC001269929657 785567622 /nfs/dbraw/zinc/56/76/22/785567622.db2.gz YMXBGEMMQVXIKO-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC001269929658 785567086 /nfs/dbraw/zinc/56/70/86/785567086.db2.gz YMXBGEMMQVXIKO-UWVGGRQHSA-N 1 0 327.385 -1.323 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC001269929659 785567080 /nfs/dbraw/zinc/56/70/80/785567080.db2.gz YMXBGEMMQVXIKO-VHSXEESVSA-N 1 0 327.385 -1.323 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC001269929660 785567055 /nfs/dbraw/zinc/56/70/55/785567055.db2.gz YMXBGEMMQVXIKO-ZJUUUORDSA-N 1 0 327.385 -1.323 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H]21 ZINC001269932098 785567295 /nfs/dbraw/zinc/56/72/95/785567295.db2.gz AKFNSTZMUDNVGY-RYUDHWBXSA-N 1 0 337.380 -1.025 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@H](C1)O2 ZINC001269933048 785566956 /nfs/dbraw/zinc/56/69/56/785566956.db2.gz IWDGSORQFCBMFM-PHIMTYICSA-N 1 0 337.380 -1.025 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC001269933098 785567062 /nfs/dbraw/zinc/56/70/62/785567062.db2.gz LAQAMRVECFTPKN-PHIMTYICSA-N 1 0 337.380 -1.025 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001269936157 785568779 /nfs/dbraw/zinc/56/87/79/785568779.db2.gz DKKMVHCYGYMLAC-GHMZBOCLSA-N 1 0 349.457 -1.566 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001269936158 785568601 /nfs/dbraw/zinc/56/86/01/785568601.db2.gz DKKMVHCYGYMLAC-MNOVXSKESA-N 1 0 349.457 -1.566 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001269936159 785568409 /nfs/dbraw/zinc/56/84/09/785568409.db2.gz DKKMVHCYGYMLAC-QWRGUYRKSA-N 1 0 349.457 -1.566 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001269936160 785568102 /nfs/dbraw/zinc/56/81/02/785568102.db2.gz DKKMVHCYGYMLAC-WDEREUQCSA-N 1 0 349.457 -1.566 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1ncn(C)n1 ZINC001269936561 785568067 /nfs/dbraw/zinc/56/80/67/785568067.db2.gz JXDGGQBXLFWHFM-GHMZBOCLSA-N 1 0 344.441 -1.053 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1ncn(C)n1 ZINC001269936562 785568676 /nfs/dbraw/zinc/56/86/76/785568676.db2.gz JXDGGQBXLFWHFM-MNOVXSKESA-N 1 0 344.441 -1.053 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1ncn(C)n1 ZINC001269936563 785568034 /nfs/dbraw/zinc/56/80/34/785568034.db2.gz JXDGGQBXLFWHFM-QWRGUYRKSA-N 1 0 344.441 -1.053 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1ncn(C)n1 ZINC001269936564 785568737 /nfs/dbraw/zinc/56/87/37/785568737.db2.gz JXDGGQBXLFWHFM-WDEREUQCSA-N 1 0 344.441 -1.053 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCC1CCN(C(=O)Cn2cncn2)CC1 ZINC001269943683 785568496 /nfs/dbraw/zinc/56/84/96/785568496.db2.gz SRLMJJIKOXVHRE-UHFFFAOYSA-N 1 0 337.384 -1.309 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H](C1)O2 ZINC001269943717 785568434 /nfs/dbraw/zinc/56/84/34/785568434.db2.gz KEJWNHDWBQDQQR-TXEJJXNPSA-N 1 0 348.407 -1.338 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001269943927 785567946 /nfs/dbraw/zinc/56/79/46/785567946.db2.gz LZHYSVYDYVTFBE-NEPJUHHUSA-N 1 0 348.407 -1.338 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001269943928 785568607 /nfs/dbraw/zinc/56/86/07/785568607.db2.gz LZHYSVYDYVTFBE-RYUDHWBXSA-N 1 0 348.407 -1.338 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1nccnc1C(N)=O ZINC001269944270 785568582 /nfs/dbraw/zinc/56/85/82/785568582.db2.gz UEBGGYNEKRTGAQ-TXEJJXNPSA-N 1 0 348.407 -1.338 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCCO)C[C@@H]1C ZINC001269945952 785568136 /nfs/dbraw/zinc/56/81/36/785568136.db2.gz BBWQGAWDIKFNHX-AAEUAGOBSA-N 1 0 328.413 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCCO)C[C@H]1C ZINC001269945953 785568614 /nfs/dbraw/zinc/56/86/14/785568614.db2.gz BBWQGAWDIKFNHX-DGCLKSJQSA-N 1 0 328.413 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCCO)C[C@@H]1C ZINC001269945954 785568558 /nfs/dbraw/zinc/56/85/58/785568558.db2.gz BBWQGAWDIKFNHX-WCQYABFASA-N 1 0 328.413 -1.410 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCCO)C[C@H]1C ZINC001269945955 785567933 /nfs/dbraw/zinc/56/79/33/785567933.db2.gz BBWQGAWDIKFNHX-YPMHNXCESA-N 1 0 328.413 -1.410 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001269962969 785568378 /nfs/dbraw/zinc/56/83/78/785568378.db2.gz XRGCZSYYOJMLSO-NEPJUHHUSA-N 1 0 349.453 -1.108 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001269962971 785568425 /nfs/dbraw/zinc/56/84/25/785568425.db2.gz XRGCZSYYOJMLSO-NWDGAFQWSA-N 1 0 349.453 -1.108 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001269962972 785568043 /nfs/dbraw/zinc/56/80/43/785568043.db2.gz XRGCZSYYOJMLSO-RYUDHWBXSA-N 1 0 349.453 -1.108 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001269962974 785568746 /nfs/dbraw/zinc/56/87/46/785568746.db2.gz XRGCZSYYOJMLSO-VXGBXAGGSA-N 1 0 349.453 -1.108 20 0 EAADRO CS(=O)(=O)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001269965267 785568272 /nfs/dbraw/zinc/56/82/72/785568272.db2.gz JCMKPPIFRXZAEZ-DCAQKATOSA-N 1 0 345.421 -1.147 20 0 EAADRO CS(=O)(=O)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001269965268 785568670 /nfs/dbraw/zinc/56/86/70/785568670.db2.gz JCMKPPIFRXZAEZ-GMTAPVOTSA-N 1 0 345.421 -1.147 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CC[C@H](NC(=O)CC(N)=O)CC1 ZINC001269970209 785569173 /nfs/dbraw/zinc/56/91/73/785569173.db2.gz OKLJUSMUDNGJSY-XYPYZODXSA-N 1 0 334.442 -1.182 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1nc[nH]n1 ZINC001269972990 785569369 /nfs/dbraw/zinc/56/93/69/785569369.db2.gz QNOPZVOHHYYQMY-NXEZZACHSA-N 1 0 330.414 -1.063 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1nc[nH]n1 ZINC001269972992 785569612 /nfs/dbraw/zinc/56/96/12/785569612.db2.gz QNOPZVOHHYYQMY-UWVGGRQHSA-N 1 0 330.414 -1.063 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1nc[nH]n1 ZINC001269972994 785569070 /nfs/dbraw/zinc/56/90/70/785569070.db2.gz QNOPZVOHHYYQMY-VHSXEESVSA-N 1 0 330.414 -1.063 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1nc[nH]n1 ZINC001269972996 785569215 /nfs/dbraw/zinc/56/92/15/785569215.db2.gz QNOPZVOHHYYQMY-ZJUUUORDSA-N 1 0 330.414 -1.063 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001269974055 785569505 /nfs/dbraw/zinc/56/95/05/785569505.db2.gz WFXQLJWMPLJDSA-NEPJUHHUSA-N 1 0 336.458 -1.266 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001269974056 785569445 /nfs/dbraw/zinc/56/94/45/785569445.db2.gz WFXQLJWMPLJDSA-NWDGAFQWSA-N 1 0 336.458 -1.266 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001269974057 785569246 /nfs/dbraw/zinc/56/92/46/785569246.db2.gz WFXQLJWMPLJDSA-RYUDHWBXSA-N 1 0 336.458 -1.266 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC001269974058 785569413 /nfs/dbraw/zinc/56/94/13/785569413.db2.gz WFXQLJWMPLJDSA-VXGBXAGGSA-N 1 0 336.458 -1.266 20 0 EAADRO Cn1nncc1C(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC001269977542 785570471 /nfs/dbraw/zinc/57/04/71/785570471.db2.gz FXMWUPDCMKLJRN-XYPYZODXSA-N 1 0 344.441 -1.005 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1cncn1 ZINC001269979890 785570567 /nfs/dbraw/zinc/57/05/67/785570567.db2.gz CROQPXZSYIVONC-NEPJUHHUSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1cncn1 ZINC001269979891 785570533 /nfs/dbraw/zinc/57/05/33/785570533.db2.gz CROQPXZSYIVONC-NWDGAFQWSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1cncn1 ZINC001269979892 785570002 /nfs/dbraw/zinc/57/00/02/785570002.db2.gz CROQPXZSYIVONC-RYUDHWBXSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1cncn1 ZINC001269979893 785570371 /nfs/dbraw/zinc/57/03/71/785570371.db2.gz CROQPXZSYIVONC-VXGBXAGGSA-N 1 0 344.441 -1.204 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[C@H]([NH2+]CCOCCO)CC1 ZINC001269991983 785570333 /nfs/dbraw/zinc/57/03/33/785570333.db2.gz WIXOXTDFOBSICY-SRVKXCTJSA-N 1 0 342.396 -1.390 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001269998107 785570437 /nfs/dbraw/zinc/57/04/37/785570437.db2.gz HQOALSIBXJOGEO-JTQLQIEISA-N 1 0 343.409 -1.074 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001269998118 785572077 /nfs/dbraw/zinc/57/20/77/785572077.db2.gz HQOALSIBXJOGEO-SNVBAGLBSA-N 1 0 343.409 -1.074 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1=O ZINC001269999624 785571911 /nfs/dbraw/zinc/57/19/11/785571911.db2.gz SJSVWAWZWDTNLY-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1=O ZINC001269999625 785571025 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COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001270065995 785572605 /nfs/dbraw/zinc/57/26/05/785572605.db2.gz CMHYCPHPDFOXAP-MXWKQRLJSA-N 1 0 328.369 -1.828 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCC[C@@H]1C[NH2+]CCOCCO ZINC001270067879 785573494 /nfs/dbraw/zinc/57/34/94/785573494.db2.gz WSEULCQMOYRQHR-CYBMUJFWSA-N 1 0 329.397 -1.565 20 0 EAADRO O=C(CN1CCOCC1=O)N1CCC[C@H]1C[NH2+]CCOCCO ZINC001270067891 785573004 /nfs/dbraw/zinc/57/30/04/785573004.db2.gz WSEULCQMOYRQHR-ZDUSSCGKSA-N 1 0 329.397 -1.565 20 0 EAADRO NC(=O)NCC(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001270073200 785572889 /nfs/dbraw/zinc/57/28/89/785572889.db2.gz FWOYNNAWSJSGGX-GFCCVEGCSA-N 1 0 335.408 -1.048 20 0 EAADRO NC(=O)NCC(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001270073201 785573386 /nfs/dbraw/zinc/57/33/86/785573386.db2.gz FWOYNNAWSJSGGX-LBPRGKRZSA-N 1 0 335.408 -1.048 20 0 EAADRO NC(=O)NCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001270073368 785572639 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EAADRO C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)CNC(N)=O)C2)C1 ZINC001270078712 785573840 /nfs/dbraw/zinc/57/38/40/785573840.db2.gz FCMRHSPSOANXDS-OAHLLOKOSA-N 1 0 327.429 -1.090 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001270083176 785573956 /nfs/dbraw/zinc/57/39/56/785573956.db2.gz LBWHYUMKCLGLKD-JTQLQIEISA-N 1 0 330.414 -1.062 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001270083177 785573875 /nfs/dbraw/zinc/57/38/75/785573875.db2.gz LBWHYUMKCLGLKD-SNVBAGLBSA-N 1 0 330.414 -1.062 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(F)F ZINC001270083714 785574286 /nfs/dbraw/zinc/57/42/86/785574286.db2.gz QQNGMEQMJWHASZ-SECBINFHSA-N 1 0 341.380 -1.007 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(F)F ZINC001270083716 785574308 /nfs/dbraw/zinc/57/43/08/785574308.db2.gz QQNGMEQMJWHASZ-VIFPVBQESA-N 1 0 341.380 -1.007 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001270112907 785575659 /nfs/dbraw/zinc/57/56/59/785575659.db2.gz LINZDULUUPEYHI-GHMZBOCLSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001270112908 785575800 /nfs/dbraw/zinc/57/58/00/785575800.db2.gz LINZDULUUPEYHI-MNOVXSKESA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001270112909 785575416 /nfs/dbraw/zinc/57/54/16/785575416.db2.gz LINZDULUUPEYHI-QWRGUYRKSA-N 1 0 332.426 -1.748 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001270112910 785575104 /nfs/dbraw/zinc/57/51/04/785575104.db2.gz LINZDULUUPEYHI-WDEREUQCSA-N 1 0 332.426 -1.748 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@H]2C[NH2+]CCCS(C)(=O)=O)n1 ZINC001270113390 785575961 /nfs/dbraw/zinc/57/59/61/785575961.db2.gz PWCJGKRKGFXPIZ-JTQLQIEISA-N 1 0 330.414 -1.161 20 0 EAADRO Cn1nnc(C(=O)N2CCC[C@@H]2C[NH2+]CCCS(C)(=O)=O)n1 ZINC001270113391 785575882 /nfs/dbraw/zinc/57/58/82/785575882.db2.gz PWCJGKRKGFXPIZ-SNVBAGLBSA-N 1 0 330.414 -1.161 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N1CCC[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001270113939 785575621 /nfs/dbraw/zinc/57/56/21/785575621.db2.gz WFDFXNMOMQFART-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001270113941 785575547 /nfs/dbraw/zinc/57/55/47/785575547.db2.gz WFDFXNMOMQFART-RYUDHWBXSA-N 1 0 348.469 -1.030 20 0 EAADRO O=C(Cn1ncnn1)NCCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001270117973 785576005 /nfs/dbraw/zinc/57/60/05/785576005.db2.gz DOEFGONJUAFUQQ-GFCCVEGCSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)NCCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001270117982 785575342 /nfs/dbraw/zinc/57/53/42/785575342.db2.gz DOEFGONJUAFUQQ-LBPRGKRZSA-N 1 0 349.395 -1.303 20 0 EAADRO CNC(=O)C[NH+]1CCC(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001270118560 785575267 /nfs/dbraw/zinc/57/52/67/785575267.db2.gz RFJYJRNHZCEKLH-NSHDSACASA-N 1 0 339.396 -1.451 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001270121664 785575083 /nfs/dbraw/zinc/57/50/83/785575083.db2.gz NMGFHRJIEKLPCJ-NEPJUHHUSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001270121665 785575304 /nfs/dbraw/zinc/57/53/04/785575304.db2.gz NMGFHRJIEKLPCJ-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001270121666 785575525 /nfs/dbraw/zinc/57/55/25/785575525.db2.gz NMGFHRJIEKLPCJ-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO CCOCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001270121667 785575249 /nfs/dbraw/zinc/57/52/49/785575249.db2.gz NMGFHRJIEKLPCJ-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)N(C)C ZINC001270121674 785575860 /nfs/dbraw/zinc/57/58/60/785575860.db2.gz NRTFCHIBBQPZMV-UWVGGRQHSA-N 1 0 327.385 -2.355 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)N(C)C ZINC001270121675 785575381 /nfs/dbraw/zinc/57/53/81/785575381.db2.gz NRTFCHIBBQPZMV-ZJUUUORDSA-N 1 0 327.385 -2.355 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001270122051 785575680 /nfs/dbraw/zinc/57/56/80/785575680.db2.gz SYELEEODCCYIOF-JTQLQIEISA-N 1 0 341.412 -1.917 20 0 EAADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001270122052 785575768 /nfs/dbraw/zinc/57/57/68/785575768.db2.gz SYELEEODCCYIOF-SNVBAGLBSA-N 1 0 341.412 -1.917 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)CCC(=O)N1 ZINC001270129750 785576652 /nfs/dbraw/zinc/57/66/52/785576652.db2.gz UOJOVGUPWLYRNF-FZMZJTMJSA-N 1 0 346.453 -1.215 20 0 EAADRO C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)CCC(=O)N1 ZINC001270129751 785577178 /nfs/dbraw/zinc/57/71/78/785577178.db2.gz UOJOVGUPWLYRNF-RISCZKNCSA-N 1 0 346.453 -1.215 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001270137349 785576694 /nfs/dbraw/zinc/57/66/94/785576694.db2.gz XFVXIYXCFXLROA-TUAOUCFPSA-N 1 0 346.453 -1.372 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001270137350 785577169 /nfs/dbraw/zinc/57/71/69/785577169.db2.gz XFVXIYXCFXLROA-UTUOFQBUSA-N 1 0 346.453 -1.372 20 0 EAADRO O=C(NCCC1CC[NH+](CCOCCO)CC1)[C@H]1CNC(=O)N1 ZINC001270137806 785576994 /nfs/dbraw/zinc/57/69/94/785576994.db2.gz IEMPIYXKZIMCRH-CYBMUJFWSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(NCCC1CC[NH+](CCOCCO)CC1)[C@@H]1CNC(=O)N1 ZINC001270137807 785576771 /nfs/dbraw/zinc/57/67/71/785576771.db2.gz IEMPIYXKZIMCRH-ZDUSSCGKSA-N 1 0 328.413 -1.105 20 0 EAADRO COCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001270143225 785576333 /nfs/dbraw/zinc/57/63/33/785576333.db2.gz HZMHCDOGXNOXCQ-RYUDHWBXSA-N 1 0 342.396 -1.172 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@@H]1C[NH2+]CCOCCO ZINC001270150065 785576632 /nfs/dbraw/zinc/57/66/32/785576632.db2.gz BSLUASHNRHZBJF-GFCCVEGCSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@H]1C[NH2+]CCOCCO ZINC001270150066 785576766 /nfs/dbraw/zinc/57/67/66/785576766.db2.gz BSLUASHNRHZBJF-LBPRGKRZSA-N 1 0 327.381 -1.371 20 0 EAADRO Cn1ncc(C(=O)N2CCC[C@H]2C[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001270150102 785577038 /nfs/dbraw/zinc/57/70/38/785577038.db2.gz CIFDOLHHKCPYSH-JTQLQIEISA-N 1 0 335.368 -1.439 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001270150583 785576970 /nfs/dbraw/zinc/57/69/70/785576970.db2.gz NRPHXTAKEKXADA-NEPJUHHUSA-N 1 0 327.381 -1.373 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001270150584 785576540 /nfs/dbraw/zinc/57/65/40/785576540.db2.gz NRPHXTAKEKXADA-NWDGAFQWSA-N 1 0 327.381 -1.373 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001270150685 785577205 /nfs/dbraw/zinc/57/72/05/785577205.db2.gz NRPHXTAKEKXADA-RYUDHWBXSA-N 1 0 327.381 -1.373 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001270150686 785576686 /nfs/dbraw/zinc/57/66/86/785576686.db2.gz NRPHXTAKEKXADA-VXGBXAGGSA-N 1 0 327.381 -1.373 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001270163913 785578173 /nfs/dbraw/zinc/57/81/73/785578173.db2.gz OALMRBOEZYOWPT-GFCCVEGCSA-N 1 0 339.396 -1.355 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001270165294 785577791 /nfs/dbraw/zinc/57/77/91/785577791.db2.gz KKLYUKAYXSSLML-JTQLQIEISA-N 1 0 330.414 -1.523 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001270165295 785578759 /nfs/dbraw/zinc/57/87/59/785578759.db2.gz KKLYUKAYXSSLML-SNVBAGLBSA-N 1 0 330.414 -1.523 20 0 EAADRO CS(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001270178317 785577834 /nfs/dbraw/zinc/57/78/34/785577834.db2.gz SSFPNBNHMNJPAG-LLVKDONJSA-N 1 0 332.426 -1.363 20 0 EAADRO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)CNC1=O)N1CCC1 ZINC001270180715 785578471 /nfs/dbraw/zinc/57/84/71/785578471.db2.gz HYFMNEMRNJFTFF-LLVKDONJSA-N 1 0 337.380 -1.649 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)CNC1=O)N1CCC1 ZINC001270180716 785577873 /nfs/dbraw/zinc/57/78/73/785577873.db2.gz HYFMNEMRNJFTFF-NSHDSACASA-N 1 0 337.380 -1.649 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001270181452 785578312 /nfs/dbraw/zinc/57/83/12/785578312.db2.gz QRSKLMVAWCTMCS-JTQLQIEISA-N 1 0 335.430 -1.825 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001270181453 785578716 /nfs/dbraw/zinc/57/87/16/785578716.db2.gz QRSKLMVAWCTMCS-SNVBAGLBSA-N 1 0 335.430 -1.825 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001270181553 785578399 /nfs/dbraw/zinc/57/83/99/785578399.db2.gz UAXSYALRQOSHSI-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001270181554 785578503 /nfs/dbraw/zinc/57/85/03/785578503.db2.gz UAXSYALRQOSHSI-NSHDSACASA-N 1 0 339.396 -1.403 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O ZINC001270187755 785580298 /nfs/dbraw/zinc/58/02/98/785580298.db2.gz KVZPRPYZXILHSP-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001270187756 785579532 /nfs/dbraw/zinc/57/95/32/785579532.db2.gz KVZPRPYZXILHSP-LBPRGKRZSA-N 1 0 346.453 -1.261 20 0 EAADRO CCC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001270190636 785580486 /nfs/dbraw/zinc/58/04/86/785580486.db2.gz YQBYCUPCURIFIU-LLVKDONJSA-N 1 0 339.396 -1.355 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)COCCOC ZINC001270190645 785580418 /nfs/dbraw/zinc/58/04/18/785580418.db2.gz ZBTIBRJUVXBNET-LLVKDONJSA-N 1 0 330.385 -1.314 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1cc3n(n1)CCO3)C2 ZINC001270199862 785580409 /nfs/dbraw/zinc/58/04/09/785580409.db2.gz OOWQGGLQZDBPFE-UHFFFAOYSA-N 1 0 349.391 -1.110 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3cc4n(n3)CCO4)C2)OCC1=O ZINC001270199880 785580267 /nfs/dbraw/zinc/58/02/67/785580267.db2.gz PPLWHDVHVLZEKS-UHFFFAOYSA-N 1 0 349.391 -1.110 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001270201091 785580286 /nfs/dbraw/zinc/58/02/86/785580286.db2.gz CKGMXFVWLOMLLI-VHSXEESVSA-N 1 0 335.430 -1.827 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001270201188 785579655 /nfs/dbraw/zinc/57/96/55/785579655.db2.gz FPYOSDIKVXTUKO-GHMZBOCLSA-N 1 0 348.425 -1.385 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001270201189 785579216 /nfs/dbraw/zinc/57/92/16/785579216.db2.gz FPYOSDIKVXTUKO-MNOVXSKESA-N 1 0 348.425 -1.385 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)CCn1ccnn1 ZINC001270201818 785579541 /nfs/dbraw/zinc/57/95/41/785579541.db2.gz SMGYROPHOLAHPZ-GFCCVEGCSA-N 1 0 344.441 -1.202 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001270211198 785581891 /nfs/dbraw/zinc/58/18/91/785581891.db2.gz NRZFDVFARGAZHO-LLVKDONJSA-N 1 0 345.429 -1.807 20 0 EAADRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CCS(N)(=O)=O ZINC001270218906 785581836 /nfs/dbraw/zinc/58/18/36/785581836.db2.gz LBTOSFGIWFPQJG-VXGBXAGGSA-N 1 0 346.453 -1.182 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)CCS(N)(=O)=O)C2)OCC1=O ZINC001270218926 785582050 /nfs/dbraw/zinc/58/20/50/785582050.db2.gz LSIUQHBJIJUJJY-UHFFFAOYSA-N 1 0 348.425 -2.334 20 0 EAADRO C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)CCS(N)(=O)=O)C1=O ZINC001270219039 785581655 /nfs/dbraw/zinc/58/16/55/785581655.db2.gz MFQQXQRUHZHPSU-AWEZNQCLSA-N 1 0 346.453 -1.180 20 0 EAADRO C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)CCS(N)(=O)=O)C1=O ZINC001270219040 785581179 /nfs/dbraw/zinc/58/11/79/785581179.db2.gz MFQQXQRUHZHPSU-CQSZACIVSA-N 1 0 346.453 -1.180 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CCS(N)(=O)=O)C2 ZINC001270219058 785581556 /nfs/dbraw/zinc/58/15/56/785581556.db2.gz MRNPJTPMEJMJKK-UHFFFAOYSA-N 1 0 348.425 -2.334 20 0 EAADRO C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)CCS(N)(=O)=O)C2)C1=O ZINC001270219067 785581593 /nfs/dbraw/zinc/58/15/93/785581593.db2.gz MWIPOZIXSBLKAN-AWEZNQCLSA-N 1 0 346.453 -1.322 20 0 EAADRO C[NH+](C)CCN1CC[C@]2(CCN(C(=O)CCS(N)(=O)=O)C2)C1=O ZINC001270219068 785581149 /nfs/dbraw/zinc/58/11/49/785581149.db2.gz MWIPOZIXSBLKAN-CQSZACIVSA-N 1 0 346.453 -1.322 20 0 EAADRO CN(CC[NH+]1CCC(C)(NC(=O)CC(N)=O)CC1)S(C)(=O)=O ZINC001270219539 785581220 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C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CCCC(=O)N3)C2)OCC1=O ZINC001270222894 785582977 /nfs/dbraw/zinc/58/29/77/785582977.db2.gz XRYYAPZSFCZYTO-LBPRGKRZSA-N 1 0 338.408 -1.344 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001270227978 785583069 /nfs/dbraw/zinc/58/30/69/785583069.db2.gz CVXQZEIUTOOQBB-GHMZBOCLSA-N 1 0 345.421 -1.193 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001270227979 785582952 /nfs/dbraw/zinc/58/29/52/785582952.db2.gz CVXQZEIUTOOQBB-MNOVXSKESA-N 1 0 345.421 -1.193 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(F)F ZINC001270234715 785584406 /nfs/dbraw/zinc/58/44/06/785584406.db2.gz YXCXUZRDPOYEKC-SSDOTTSWSA-N 1 0 335.311 -1.857 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001270236766 785584087 /nfs/dbraw/zinc/58/40/87/785584087.db2.gz BIAHBUXQHVGNKJ-UWVGGRQHSA-N 1 0 339.396 -1.310 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001270236767 785584224 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EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001270259388 785584356 /nfs/dbraw/zinc/58/43/56/785584356.db2.gz OPDCWNGDKRQDKV-CHWSQXEVSA-N 1 0 341.412 -1.599 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001270259390 785583441 /nfs/dbraw/zinc/58/34/41/785583441.db2.gz OPDCWNGDKRQDKV-OLZOCXBDSA-N 1 0 341.412 -1.599 20 0 EAADRO CC1(NC(=O)CN2C(=O)CNC2=O)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001270260536 785584382 /nfs/dbraw/zinc/58/43/82/785584382.db2.gz ANSCAFCWVCNGNI-JTQLQIEISA-N 1 0 337.380 -1.603 20 0 EAADRO CC1(NC(=O)CN2C(=O)CNC2=O)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001270260537 785583776 /nfs/dbraw/zinc/58/37/76/785583776.db2.gz ANSCAFCWVCNGNI-SNVBAGLBSA-N 1 0 337.380 -1.603 20 0 EAADRO CNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001270261312 785583642 /nfs/dbraw/zinc/58/36/42/785583642.db2.gz PGHNWGJMZDHPGP-JTQLQIEISA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001270261313 785583875 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C[C@@H](CNC(=O)CC(N)=O)C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001270379782 785589616 /nfs/dbraw/zinc/58/96/16/785589616.db2.gz RUEQGRACMXURLS-GHMZBOCLSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@@H](CNC(=O)CC(N)=O)C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001270379784 785589370 /nfs/dbraw/zinc/58/93/70/785589370.db2.gz RUEQGRACMXURLS-MNOVXSKESA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CNC(=O)CC(N)=O)C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001270379786 785588957 /nfs/dbraw/zinc/58/89/57/785588957.db2.gz RUEQGRACMXURLS-QWRGUYRKSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CNC(=O)CC(N)=O)C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001270379788 785589122 /nfs/dbraw/zinc/58/91/22/785589122.db2.gz RUEQGRACMXURLS-WDEREUQCSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CNC(=O)CC(N)=O)C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001270380215 785589964 /nfs/dbraw/zinc/58/99/64/785589964.db2.gz XJGIANPQENKFIT-CMPLNLGQSA-N 1 0 336.396 -1.257 20 0 EAADRO C[C@H](CNC(=O)CC(N)=O)C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001270380216 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EAADRO CCNC(=O)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001270385828 785589995 /nfs/dbraw/zinc/58/99/95/785589995.db2.gz MMXJVEJTEHXKPI-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]CCN1C(=O)CNC1=O ZINC001270392522 785589883 /nfs/dbraw/zinc/58/98/83/785589883.db2.gz BVMOKDRLOSYCFK-SECBINFHSA-N 1 0 337.384 -1.490 20 0 EAADRO C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]CCN1C(=O)CNC1=O ZINC001270392523 785588916 /nfs/dbraw/zinc/58/89/16/785588916.db2.gz BVMOKDRLOSYCFK-VIFPVBQESA-N 1 0 337.384 -1.490 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]CCCN1C(=O)CNC1=O ZINC001270394052 785589138 /nfs/dbraw/zinc/58/91/38/785589138.db2.gz OUPOTRZQBBHFMG-NXEZZACHSA-N 1 0 341.368 -1.621 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]CCCN1C(=O)CNC1=O ZINC001270394058 785589866 /nfs/dbraw/zinc/58/98/66/785589866.db2.gz OUPOTRZQBBHFMG-UWVGGRQHSA-N 1 0 341.368 -1.621 20 0 EAADRO C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]CCCN1C(=O)CNC1=O ZINC001270394059 785588947 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CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](CO)n1ccnc1 ZINC001270398449 785589156 /nfs/dbraw/zinc/58/91/56/785589156.db2.gz FQDMHXRWLFKBMK-GRYCIOLGSA-N 1 0 343.409 -1.492 20 0 EAADRO CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](CO)n1ccnc1 ZINC001270398450 785589700 /nfs/dbraw/zinc/58/97/00/785589700.db2.gz FQDMHXRWLFKBMK-TUAOUCFPSA-N 1 0 343.409 -1.492 20 0 EAADRO CN(C)S(=O)(=O)N1CC2(CN(C(=O)[C@@H](CO)n3ccnc3)C2)C1 ZINC001270398852 785589490 /nfs/dbraw/zinc/58/94/90/785589490.db2.gz MFNOAZGPVRDEOV-LLVKDONJSA-N 1 0 343.409 -1.633 20 0 EAADRO CN(C)S(=O)(=O)N1CC2(CN(C(=O)[C@H](CO)n3ccnc3)C2)C1 ZINC001270398853 785588966 /nfs/dbraw/zinc/58/89/66/785588966.db2.gz MFNOAZGPVRDEOV-NSHDSACASA-N 1 0 343.409 -1.633 20 0 EAADRO Cn1ncnc1C(=O)N1CC2(C1)CN(C(=O)[C@@H](CO)n1ccnc1)C2 ZINC001270398912 785589778 /nfs/dbraw/zinc/58/97/78/785589778.db2.gz IHZGWQMFMYAXDS-LLVKDONJSA-N 1 0 345.363 -1.470 20 0 EAADRO Cn1ncnc1C(=O)N1CC2(C1)CN(C(=O)[C@H](CO)n1ccnc1)C2 ZINC001270398913 785589375 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ZINC001270405708 785591096 /nfs/dbraw/zinc/59/10/96/785591096.db2.gz LHIRNFWJQZYZHO-ZNMIVQPWSA-N 1 0 334.424 -1.087 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H](Cc1c[nH]cn1)NC=O)C2 ZINC001270407467 785590640 /nfs/dbraw/zinc/59/06/40/785590640.db2.gz ZZZQQYNAOCNYDV-AWEZNQCLSA-N 1 0 334.424 -1.227 20 0 EAADRO C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]CCNC(=O)C1CC1 ZINC001270410511 785591198 /nfs/dbraw/zinc/59/11/98/785591198.db2.gz VTHNNPDYYQQOQW-JTQLQIEISA-N 1 0 331.438 -1.101 20 0 EAADRO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]CCNC(=O)C1CC1 ZINC001270410512 785590538 /nfs/dbraw/zinc/59/05/38/785590538.db2.gz VTHNNPDYYQQOQW-SNVBAGLBSA-N 1 0 331.438 -1.101 20 0 EAADRO C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270410685 785590983 /nfs/dbraw/zinc/59/09/83/785590983.db2.gz YTTAYQMNAGOIQN-JTQLQIEISA-N 1 0 345.421 -1.478 20 0 EAADRO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270410686 785590881 /nfs/dbraw/zinc/59/08/81/785590881.db2.gz YTTAYQMNAGOIQN-SNVBAGLBSA-N 1 0 345.421 -1.478 20 0 EAADRO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C[NH2+]Cc1nncs1 ZINC001270426841 785591212 /nfs/dbraw/zinc/59/12/12/785591212.db2.gz DOWWFCMGVYDKHW-SFYZADRCSA-N 1 0 326.382 -1.022 20 0 EAADRO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C[NH2+]Cc1nncs1 ZINC001270426842 785591071 /nfs/dbraw/zinc/59/10/71/785591071.db2.gz DOWWFCMGVYDKHW-YUMQZZPRSA-N 1 0 326.382 -1.022 20 0 EAADRO CC[C@]1(C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001270427027 785591054 /nfs/dbraw/zinc/59/10/54/785591054.db2.gz HFJKAENBBREKAP-BMIGLBTASA-N 1 0 341.412 -1.300 20 0 EAADRO CC[C@]1(C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001270427028 785590606 /nfs/dbraw/zinc/59/06/06/785590606.db2.gz HFJKAENBBREKAP-BONVTDFDSA-N 1 0 341.412 -1.300 20 0 EAADRO CC[C@@]1(C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001270427029 785591076 /nfs/dbraw/zinc/59/10/76/785591076.db2.gz HFJKAENBBREKAP-MEBBXXQBSA-N 1 0 341.412 -1.300 20 0 EAADRO CC[C@@]1(C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)CCNC1=O ZINC001270427030 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/nfs/dbraw/zinc/59/19/29/785591929.db2.gz ZRDVIZRETJXLCR-STQMWFEESA-N 1 0 340.424 -1.280 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@H](C[NH2+]CCO)C2CCCC2)C1=O ZINC001270441438 785591788 /nfs/dbraw/zinc/59/17/88/785591788.db2.gz HIXMTFANNFPZTP-LLVKDONJSA-N 1 0 340.380 -1.336 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N[C@@H](C[NH2+]CCO)C2CCCC2)C1=O ZINC001270441442 785591750 /nfs/dbraw/zinc/59/17/50/785591750.db2.gz HIXMTFANNFPZTP-NSHDSACASA-N 1 0 340.380 -1.336 20 0 EAADRO C[C@@H](CNC(=O)C(=O)NCC(F)F)C[NH2+]CCS(C)(=O)=O ZINC001270443500 785592180 /nfs/dbraw/zinc/59/21/80/785592180.db2.gz HPLGYEIQQSLCHD-MRVPVSSYSA-N 1 0 329.369 -1.246 20 0 EAADRO C[C@H](CNC(=O)C(=O)NCC(F)F)C[NH2+]CCS(C)(=O)=O ZINC001270443501 785591981 /nfs/dbraw/zinc/59/19/81/785591981.db2.gz HPLGYEIQQSLCHD-QMMMGPOBSA-N 1 0 329.369 -1.246 20 0 EAADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]CCN1CCNC1=O ZINC001270444436 785592225 /nfs/dbraw/zinc/59/22/25/785592225.db2.gz WBIYXYCBAVWCOS-LLVKDONJSA-N 1 0 339.400 -2.051 20 0 EAADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]CCN1CCNC1=O ZINC001270444437 785591921 /nfs/dbraw/zinc/59/19/21/785591921.db2.gz WBIYXYCBAVWCOS-NSHDSACASA-N 1 0 339.400 -2.051 20 0 EAADRO C[C@@H](CNC(=O)C(=O)NCC(F)F)C[NH2+]CCN1C(=O)CCC1=O ZINC001270444604 785591888 /nfs/dbraw/zinc/59/18/88/785591888.db2.gz ZMGLMEFFWUZKLH-SECBINFHSA-N 1 0 348.350 -1.141 20 0 EAADRO C[C@H](CNC(=O)C(=O)NCC(F)F)C[NH2+]CCN1C(=O)CCC1=O ZINC001270444605 785591614 /nfs/dbraw/zinc/59/16/14/785591614.db2.gz ZMGLMEFFWUZKLH-VIFPVBQESA-N 1 0 348.350 -1.141 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270477669 785594544 /nfs/dbraw/zinc/59/45/44/785594544.db2.gz CYLBNTITLLAFME-GHMZBOCLSA-N 1 0 334.442 -1.644 20 0 EAADRO C[C@@H](CNC(=O)[C@H]1CCNC1=O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270477670 785594385 /nfs/dbraw/zinc/59/43/85/785594385.db2.gz CYLBNTITLLAFME-MNOVXSKESA-N 1 0 334.442 -1.644 20 0 EAADRO C[C@H](CNC(=O)[C@H]1CCNC1=O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270477671 785594684 /nfs/dbraw/zinc/59/46/84/785594684.db2.gz CYLBNTITLLAFME-QWRGUYRKSA-N 1 0 334.442 -1.644 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCNC1=O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270477672 785594169 /nfs/dbraw/zinc/59/41/69/785594169.db2.gz CYLBNTITLLAFME-WDEREUQCSA-N 1 0 334.442 -1.644 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270486240 785594500 /nfs/dbraw/zinc/59/45/00/785594500.db2.gz JROUDIBUFNEXHK-NEPJUHHUSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270486241 785594520 /nfs/dbraw/zinc/59/45/20/785594520.db2.gz JROUDIBUFNEXHK-RYUDHWBXSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@H](CNC(=O)c1nnn(C)n1)C[NH2+]CCN1CCCS1(=O)=O ZINC001270486260 785594604 /nfs/dbraw/zinc/59/46/04/785594604.db2.gz JUEDLCXYLRUCQB-JTQLQIEISA-N 1 0 345.429 -1.799 20 0 EAADRO C[C@@H](CNC(=O)c1nnn(C)n1)C[NH2+]CCN1CCCS1(=O)=O ZINC001270486261 785594722 /nfs/dbraw/zinc/59/47/22/785594722.db2.gz JUEDLCXYLRUCQB-SNVBAGLBSA-N 1 0 345.429 -1.799 20 0 EAADRO COC(=O)CC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270488718 785594393 /nfs/dbraw/zinc/59/43/93/785594393.db2.gz AXIBOXWSHDNYPN-HNNXBMFYSA-N 1 0 327.381 -1.059 20 0 EAADRO COC(=O)CC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270488722 785594735 /nfs/dbraw/zinc/59/47/35/785594735.db2.gz AXIBOXWSHDNYPN-OAHLLOKOSA-N 1 0 327.381 -1.059 20 0 EAADRO C[C@H](CNC(=O)C(N)=O)C[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001270494984 785594569 /nfs/dbraw/zinc/59/45/69/785594569.db2.gz HXGAAMNNOCAEFO-JTQLQIEISA-N 1 0 339.400 -1.573 20 0 EAADRO C[C@@H](CNC(=O)C(N)=O)C[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001270494988 785594265 /nfs/dbraw/zinc/59/42/65/785594265.db2.gz HXGAAMNNOCAEFO-SNVBAGLBSA-N 1 0 339.400 -1.573 20 0 EAADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](C)CNC(=O)C(N)=O)cc1 ZINC001270495926 785594299 /nfs/dbraw/zinc/59/42/99/785594299.db2.gz NGMNFXSJPBRBAM-JTQLQIEISA-N 1 0 342.421 -1.078 20 0 EAADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C)CNC(=O)C(N)=O)cc1 ZINC001270495927 785594441 /nfs/dbraw/zinc/59/44/41/785594441.db2.gz NGMNFXSJPBRBAM-SNVBAGLBSA-N 1 0 342.421 -1.078 20 0 EAADRO CCOC(=O)C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270508327 785595614 /nfs/dbraw/zinc/59/56/14/785595614.db2.gz PUYLRWZRAKNYGH-HNNXBMFYSA-N 1 0 327.381 -1.059 20 0 EAADRO CCOC(=O)C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270508328 785595376 /nfs/dbraw/zinc/59/53/76/785595376.db2.gz PUYLRWZRAKNYGH-OAHLLOKOSA-N 1 0 327.381 -1.059 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]C[C@H](C)CNC(=O)C(N)=O)CC1 ZINC001270509385 785595858 /nfs/dbraw/zinc/59/58/58/785595858.db2.gz XMPMHBDENGXVEZ-JTQLQIEISA-N 1 0 341.412 -2.202 20 0 EAADRO CNC(=O)C1CCN(C(=O)C[NH2+]C[C@@H](C)CNC(=O)C(N)=O)CC1 ZINC001270509387 785595885 /nfs/dbraw/zinc/59/58/85/785595885.db2.gz XMPMHBDENGXVEZ-SNVBAGLBSA-N 1 0 341.412 -2.202 20 0 EAADRO CC(=O)OCC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270514773 785596511 /nfs/dbraw/zinc/59/65/11/785596511.db2.gz CVKJDICJWYHCBV-HNNXBMFYSA-N 1 0 327.381 -1.059 20 0 EAADRO CC(=O)OCC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270514774 785597461 /nfs/dbraw/zinc/59/74/61/785597461.db2.gz CVKJDICJWYHCBV-OAHLLOKOSA-N 1 0 327.381 -1.059 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270519309 785597414 /nfs/dbraw/zinc/59/74/14/785597414.db2.gz FSNBXCDIIZCCJD-CYBMUJFWSA-N 1 0 328.413 -1.647 20 0 EAADRO COCCOCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270519310 785596638 /nfs/dbraw/zinc/59/66/38/785596638.db2.gz FSNBXCDIIZCCJD-ZDUSSCGKSA-N 1 0 328.413 -1.647 20 0 EAADRO CC(C)NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270519825 785597267 /nfs/dbraw/zinc/59/72/67/785597267.db2.gz IRDADLVYFLCDFG-GFCCVEGCSA-N 1 0 325.413 -1.785 20 0 EAADRO CC(C)NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270519826 785596703 /nfs/dbraw/zinc/59/67/03/785596703.db2.gz IRDADLVYFLCDFG-LBPRGKRZSA-N 1 0 325.413 -1.785 20 0 EAADRO CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270520717 785597171 /nfs/dbraw/zinc/59/71/71/785597171.db2.gz OIXNAIZLWRREPH-CHWSQXEVSA-N 1 0 339.440 -1.266 20 0 EAADRO CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270520718 785596973 /nfs/dbraw/zinc/59/69/73/785596973.db2.gz OIXNAIZLWRREPH-OLZOCXBDSA-N 1 0 339.440 -1.266 20 0 EAADRO CCCC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270520719 785596577 /nfs/dbraw/zinc/59/65/77/785596577.db2.gz OIXNAIZLWRREPH-QWHCGFSZSA-N 1 0 339.440 -1.266 20 0 EAADRO CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001270520720 785597502 /nfs/dbraw/zinc/59/75/02/785597502.db2.gz OIXNAIZLWRREPH-STQMWFEESA-N 1 0 339.440 -1.266 20 0 EAADRO COCCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001270520843 785596891 /nfs/dbraw/zinc/59/68/91/785596891.db2.gz QOVDKMSTMVDLHR-KBPBESRZSA-N 1 0 339.440 -1.077 20 0 EAADRO COCCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001270520844 785596804 /nfs/dbraw/zinc/59/68/04/785596804.db2.gz QOVDKMSTMVDLHR-KGLIPLIRSA-N 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349.395 -1.259 20 0 EAADRO Cn1ncnc1CNC1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCCC1 ZINC001270756932 785615741 /nfs/dbraw/zinc/61/57/41/785615741.db2.gz KHFVHZVXPZVRLA-JTQLQIEISA-N 1 0 349.395 -1.068 20 0 EAADRO CC(=O)N1CCN(CC(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001270758937 785615106 /nfs/dbraw/zinc/61/51/06/785615106.db2.gz HBDSQFPHXXBADA-UHFFFAOYSA-N 1 0 337.468 -1.144 20 0 EAADRO CC(=O)N1CCN(CC(=O)N2CC3(CCN3CC[NH+](C)C)C2)CC1 ZINC001270759792 785615007 /nfs/dbraw/zinc/61/50/07/785615007.db2.gz ZELMUAQCPQUABH-UHFFFAOYSA-N 1 0 337.468 -1.001 20 0 EAADRO Cn1cncc1CN1C(=O)COCC12CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001270764732 785615228 /nfs/dbraw/zinc/61/52/28/785615228.db2.gz ACUNDCCEBKNFID-NEPJUHHUSA-N 1 0 347.375 -1.519 20 0 EAADRO Cn1cncc1CN1C(=O)COCC12CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)C2 ZINC001270764733 785615608 /nfs/dbraw/zinc/61/56/08/785615608.db2.gz ACUNDCCEBKNFID-NWDGAFQWSA-N 1 0 347.375 -1.519 20 0 EAADRO Cn1cncc1CN1C(=O)COCC12CN(C(=O)[C@H]1C[C@@H]1C(N)=O)C2 ZINC001270764734 785615613 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EAADRO Cn1nnc(C(=O)N2CC[C@@](C)(C[NH2+]CCS(C)(=O)=O)C2)n1 ZINC001270780912 785617543 /nfs/dbraw/zinc/61/75/43/785617543.db2.gz YDHCGBSSQZGVLD-LBPRGKRZSA-N 1 0 330.414 -1.304 20 0 EAADRO NC(=O)C(=O)NCC1([NH2+]CC(=O)NC[C@H]2CCOC2)CCCC1 ZINC001270786315 785619037 /nfs/dbraw/zinc/61/90/37/785619037.db2.gz WUWAKILCJUUESY-LLVKDONJSA-N 1 0 326.397 -1.357 20 0 EAADRO NC(=O)C(=O)NCC1([NH2+]CC(=O)NC[C@@H]2CCOC2)CCCC1 ZINC001270786316 785619931 /nfs/dbraw/zinc/61/99/31/785619931.db2.gz WUWAKILCJUUESY-NSHDSACASA-N 1 0 326.397 -1.357 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001270786436 785619590 /nfs/dbraw/zinc/61/95/90/785619590.db2.gz YLVCSENGXLQXJO-JTQLQIEISA-N 1 0 347.441 -1.764 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CCCC1 ZINC001270786437 785618557 /nfs/dbraw/zinc/61/85/57/785618557.db2.gz YLVCSENGXLQXJO-SNVBAGLBSA-N 1 0 347.441 -1.764 20 0 EAADRO C[C@@]1(C[NH2+]CC(=O)NC[C@H]2CCOC2)CCN(C(=O)C(N)=O)C1 ZINC001270787607 785619145 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EAADRO C[C@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001270789432 785621469 /nfs/dbraw/zinc/62/14/69/785621469.db2.gz VCCBOTWNVSNUKD-CYBMUJFWSA-N 1 0 346.453 -1.371 20 0 EAADRO C[C@@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001270789435 785620649 /nfs/dbraw/zinc/62/06/49/785620649.db2.gz VCCBOTWNVSNUKD-ZDUSSCGKSA-N 1 0 346.453 -1.371 20 0 EAADRO C[C@@H](O)C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001270790107 785618799 /nfs/dbraw/zinc/61/87/99/785618799.db2.gz BPBYJWSODMWOFP-MGPQQGTHSA-N 1 0 338.452 -1.032 20 0 EAADRO C[C@@H](O)C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001270790110 785619783 /nfs/dbraw/zinc/61/97/83/785619783.db2.gz BPBYJWSODMWOFP-RDBSUJKOSA-N 1 0 338.452 -1.032 20 0 EAADRO C[NH+](C)CCN1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001270795660 785622651 /nfs/dbraw/zinc/62/26/51/785622651.db2.gz BNFIIGGZFRLGKF-GFCCVEGCSA-N 1 0 330.454 -1.226 20 0 EAADRO C[NH+](C)CCN1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001270795661 785622558 /nfs/dbraw/zinc/62/25/58/785622558.db2.gz BNFIIGGZFRLGKF-LBPRGKRZSA-N 1 0 330.454 -1.226 20 0 EAADRO COCCOCN1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001270795684 785622596 /nfs/dbraw/zinc/62/25/96/785622596.db2.gz CJABBFMTNNFMQT-GFCCVEGCSA-N 1 0 347.437 -1.167 20 0 EAADRO COCCOCN1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001270795685 785622543 /nfs/dbraw/zinc/62/25/43/785622543.db2.gz CJABBFMTNNFMQT-LBPRGKRZSA-N 1 0 347.437 -1.167 20 0 EAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001270796620 785622822 /nfs/dbraw/zinc/62/28/22/785622822.db2.gz LUDQPKYKJNAJRD-GFCCVEGCSA-N 1 0 339.421 -1.281 20 0 EAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001270796623 785622375 /nfs/dbraw/zinc/62/23/75/785622375.db2.gz LUDQPKYKJNAJRD-LBPRGKRZSA-N 1 0 339.421 -1.281 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H](C1)O2 ZINC001270797025 785622431 /nfs/dbraw/zinc/62/24/31/785622431.db2.gz OPSJWXNZXWBYJD-FRRDWIJNSA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H](C1)O2 ZINC001270797026 785622583 /nfs/dbraw/zinc/62/25/83/785622583.db2.gz OPSJWXNZXWBYJD-XQQFMLRXSA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001270797152 785622879 /nfs/dbraw/zinc/62/28/79/785622879.db2.gz RXYIQYZFNBACHM-FRRDWIJNSA-N 1 0 330.454 -1.085 20 0 EAADRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001270797153 785622714 /nfs/dbraw/zinc/62/27/14/785622714.db2.gz RXYIQYZFNBACHM-XQQFMLRXSA-N 1 0 330.454 -1.085 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001270797533 785622776 /nfs/dbraw/zinc/62/27/76/785622776.db2.gz SSVRUXMYGUMNOB-FRRDWIJNSA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001270797534 785622884 /nfs/dbraw/zinc/62/28/84/785622884.db2.gz SSVRUXMYGUMNOB-XQQFMLRXSA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]21 ZINC001270797685 785622768 /nfs/dbraw/zinc/62/27/68/785622768.db2.gz VVUPDPMHANUDAM-AGIUHOORSA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]21 ZINC001270797689 785622623 /nfs/dbraw/zinc/62/26/23/785622623.db2.gz VVUPDPMHANUDAM-AVGNSLFASA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001270797692 785622758 /nfs/dbraw/zinc/62/27/58/785622758.db2.gz VVUPDPMHANUDAM-UPJWGTAASA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001270797693 785622760 /nfs/dbraw/zinc/62/27/60/785622760.db2.gz VVUPDPMHANUDAM-XQQFMLRXSA-N 1 0 346.453 -1.849 20 0 EAADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001270797854 785623957 /nfs/dbraw/zinc/62/39/57/785623957.db2.gz XTLYMTWDDGXWEU-AGIUHOORSA-N 1 0 330.454 -1.085 20 0 EAADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001270797856 785623221 /nfs/dbraw/zinc/62/32/21/785623221.db2.gz XTLYMTWDDGXWEU-AVGNSLFASA-N 1 0 330.454 -1.085 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001270797870 785624220 /nfs/dbraw/zinc/62/42/20/785624220.db2.gz YMBSXLQRLFEUGW-AGIUHOORSA-N 1 0 330.454 -1.228 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001270797873 785624020 /nfs/dbraw/zinc/62/40/20/785624020.db2.gz YMBSXLQRLFEUGW-FRRDWIJNSA-N 1 0 330.454 -1.228 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001270797891 785622526 /nfs/dbraw/zinc/62/25/26/785622526.db2.gz ZGLNRVNBVVNQMF-RWMBFGLXSA-N 1 0 330.454 -1.228 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001270797893 785622784 /nfs/dbraw/zinc/62/27/84/785622784.db2.gz ZGLNRVNBVVNQMF-YNEHKIRRSA-N 1 0 330.454 -1.228 20 0 EAADRO COCC[NH2+]C[C@@]1(C)CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001270805607 785623482 /nfs/dbraw/zinc/62/34/82/785623482.db2.gz LFTOPADMDGNJMK-CYBMUJFWSA-N 1 0 336.458 -1.143 20 0 EAADRO COCC[NH2+]C[C@]1(C)CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001270805609 785623325 /nfs/dbraw/zinc/62/33/25/785623325.db2.gz LFTOPADMDGNJMK-ZDUSSCGKSA-N 1 0 336.458 -1.143 20 0 EAADRO C[C@@]1(C[NH2+]CCn2cncn2)CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001270806500 785623472 /nfs/dbraw/zinc/62/34/72/785623472.db2.gz PXGZLUDUMAMBAG-NHYWBVRUSA-N 1 0 349.395 -1.296 20 0 EAADRO C[C@]1(C[NH2+]CCn2cncn2)CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001270806516 785624329 /nfs/dbraw/zinc/62/43/29/785624329.db2.gz PXGZLUDUMAMBAG-XHDPSFHLSA-N 1 0 349.395 -1.296 20 0 EAADRO Cn1ncc(C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CCCC2)n1 ZINC001270806908 785623296 /nfs/dbraw/zinc/62/32/96/785623296.db2.gz RRBSNKIFDXWTCY-UHFFFAOYSA-N 1 0 344.441 -1.004 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@](C)(C[NH2+]CCCO)C1)C(N)=O ZINC001270807709 785624333 /nfs/dbraw/zinc/62/43/33/785624333.db2.gz ZHYULTNCZIWXAN-SWLSCSKDSA-N 1 0 328.413 -1.423 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@](C)(C[NH2+]CCCO)C1)C(N)=O ZINC001270807710 785623404 /nfs/dbraw/zinc/62/34/04/785623404.db2.gz ZHYULTNCZIWXAN-WFASDCNBSA-N 1 0 328.413 -1.423 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)C3CS(=O)(=O)C3)C2)OCC1=O ZINC001270811825 785623976 /nfs/dbraw/zinc/62/39/76/785623976.db2.gz FKHRAHYPIBGRGW-UHFFFAOYSA-N 1 0 345.421 -1.968 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001270812539 785623562 /nfs/dbraw/zinc/62/35/62/785623562.db2.gz KTEUPMFPDSTHID-UHFFFAOYSA-N 1 0 345.421 -1.968 20 0 EAADRO CN1CC(=O)N(CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1=O ZINC001270819639 785625491 /nfs/dbraw/zinc/62/54/91/785625491.db2.gz WODBQERDPQBPKZ-UHFFFAOYSA-N 1 0 325.369 -1.616 20 0 EAADRO CC[C@H]([NH2+]C1(CNC(=O)CN2C(=O)CNC2=O)CCCC1)C(N)=O ZINC001270819691 785624726 /nfs/dbraw/zinc/62/47/26/785624726.db2.gz YPSXGIUIOVLAOF-JTQLQIEISA-N 1 0 339.396 -1.179 20 0 EAADRO CC[C@@H]([NH2+]C1(CNC(=O)CN2C(=O)CNC2=O)CCCC1)C(N)=O ZINC001270819692 785625512 /nfs/dbraw/zinc/62/55/12/785625512.db2.gz YPSXGIUIOVLAOF-SNVBAGLBSA-N 1 0 339.396 -1.179 20 0 EAADRO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CC(=O)N3)C2)C1=O ZINC001270831720 785626277 /nfs/dbraw/zinc/62/62/77/785626277.db2.gz MXRXEMIANOVIOT-BDJLRTHQSA-N 1 0 336.392 -1.196 20 0 EAADRO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CC(=O)N3)C2)C1=O ZINC001270831723 785626644 /nfs/dbraw/zinc/62/66/44/785626644.db2.gz MXRXEMIANOVIOT-BZNIZROVSA-N 1 0 336.392 -1.196 20 0 EAADRO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CC(=O)N3)C2)C1=O ZINC001270831725 785626326 /nfs/dbraw/zinc/62/63/26/785626326.db2.gz MXRXEMIANOVIOT-MEDUHNTESA-N 1 0 336.392 -1.196 20 0 EAADRO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CC(=O)N3)C2)C1=O ZINC001270831727 785627437 /nfs/dbraw/zinc/62/74/37/785627437.db2.gz MXRXEMIANOVIOT-ZBEGNZNMSA-N 1 0 336.392 -1.196 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CC(=O)N1)C2 ZINC001270832148 785627917 /nfs/dbraw/zinc/62/79/17/785627917.db2.gz OUDMSOFIWPOFSE-BLLLJJGKSA-N 1 0 338.408 -1.486 20 0 EAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CC(=O)N1)C2 ZINC001270832150 785627394 /nfs/dbraw/zinc/62/73/94/785627394.db2.gz OUDMSOFIWPOFSE-LRDDRELGSA-N 1 0 338.408 -1.486 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1CC(=O)N1)C2 ZINC001270832152 785627148 /nfs/dbraw/zinc/62/71/48/785627148.db2.gz OUDMSOFIWPOFSE-MLGOLLRUSA-N 1 0 338.408 -1.486 20 0 EAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1CC(=O)N1)C2 ZINC001270832154 785627892 /nfs/dbraw/zinc/62/78/92/785627892.db2.gz OUDMSOFIWPOFSE-WBMJQRKESA-N 1 0 338.408 -1.486 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CC(=O)N3)C[C@@]2(F)C1=O ZINC001270832542 785627788 /nfs/dbraw/zinc/62/77/88/785627788.db2.gz PULZACSJMLKIGQ-CUOATXAZSA-N 1 0 330.335 -1.463 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CC(=O)N3)C[C@@]2(F)C1=O ZINC001270832544 785627302 /nfs/dbraw/zinc/62/73/02/785627302.db2.gz PULZACSJMLKIGQ-OWYVNGRQSA-N 1 0 330.335 -1.463 20 0 EAADRO C[C@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)Cn2cncn2)C1 ZINC001270837570 785628562 /nfs/dbraw/zinc/62/85/62/785628562.db2.gz CDFVTSSDAIYNAR-CYBMUJFWSA-N 1 0 344.441 -1.345 20 0 EAADRO C[C@@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)Cn2cncn2)C1 ZINC001270837574 785628627 /nfs/dbraw/zinc/62/86/27/785628627.db2.gz CDFVTSSDAIYNAR-ZDUSSCGKSA-N 1 0 344.441 -1.345 20 0 EAADRO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001270837705 785628973 /nfs/dbraw/zinc/62/89/73/785628973.db2.gz DMIIAYSPNVPFKX-HNNXBMFYSA-N 1 0 339.396 -1.498 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001270837706 785628953 /nfs/dbraw/zinc/62/89/53/785628953.db2.gz DMIIAYSPNVPFKX-OAHLLOKOSA-N 1 0 339.396 -1.498 20 0 EAADRO C[C@@]1(C[NH2+]CCn2cncn2)CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001270838186 785628226 /nfs/dbraw/zinc/62/82/26/785628226.db2.gz FYCGLGGOXDELJB-HNNXBMFYSA-N 1 0 349.395 -1.342 20 0 EAADRO C[C@]1(C[NH2+]CCn2cncn2)CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001270838187 785628536 /nfs/dbraw/zinc/62/85/36/785628536.db2.gz FYCGLGGOXDELJB-OAHLLOKOSA-N 1 0 349.395 -1.342 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001270839312 785628883 /nfs/dbraw/zinc/62/88/83/785628883.db2.gz JTCNEIGWILSYTD-BLLLJJGKSA-N 1 0 341.408 -1.029 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001270839315 785628638 /nfs/dbraw/zinc/62/86/38/785628638.db2.gz JTCNEIGWILSYTD-LRDDRELGSA-N 1 0 341.408 -1.029 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001270839317 785628421 /nfs/dbraw/zinc/62/84/21/785628421.db2.gz JTCNEIGWILSYTD-MLGOLLRUSA-N 1 0 341.408 -1.029 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001270839320 785628809 /nfs/dbraw/zinc/62/88/09/785628809.db2.gz JTCNEIGWILSYTD-WBMJQRKESA-N 1 0 341.408 -1.029 20 0 EAADRO C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001270839404 785628457 /nfs/dbraw/zinc/62/84/57/785628457.db2.gz KKKUXYVNUWIMMA-HNNXBMFYSA-N 1 0 339.396 -1.368 20 0 EAADRO C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001270839405 785628438 /nfs/dbraw/zinc/62/84/38/785628438.db2.gz KKKUXYVNUWIMMA-OAHLLOKOSA-N 1 0 339.396 -1.368 20 0 EAADRO C[C@@]1(C[NH2+]CCN2CCNC2=O)CCN(C(=O)CCNC(N)=O)C1 ZINC001270842650 785628616 /nfs/dbraw/zinc/62/86/16/785628616.db2.gz ZUDSHNLQFSYYSS-HNNXBMFYSA-N 1 0 340.428 -1.102 20 0 EAADRO C[C@]1(C[NH2+]CCN2CCNC2=O)CCN(C(=O)CCNC(N)=O)C1 ZINC001270842651 785628198 /nfs/dbraw/zinc/62/81/98/785628198.db2.gz ZUDSHNLQFSYYSS-OAHLLOKOSA-N 1 0 340.428 -1.102 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[C@@H]1COCCO1)C2 ZINC001270846405 785630394 /nfs/dbraw/zinc/63/03/94/785630394.db2.gz AAJAORRTNWLQHU-CYBMUJFWSA-N 1 0 341.408 -1.207 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[C@H]1COCCO1)C2 ZINC001270846406 785630102 /nfs/dbraw/zinc/63/01/02/785630102.db2.gz AAJAORRTNWLQHU-ZDUSSCGKSA-N 1 0 341.408 -1.207 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)C[C@@H]3COCCO3)C2)OCC1=O ZINC001270847357 785628774 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EAADRO C[C@@H](O)C(=O)N1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001270862866 785632439 /nfs/dbraw/zinc/63/24/39/785632439.db2.gz YYEJSNPQJODWGZ-SNVBAGLBSA-N 1 0 336.396 -1.175 20 0 EAADRO CC1(CNC(=O)CC(N)=O)CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC001270866926 785633293 /nfs/dbraw/zinc/63/32/93/785633293.db2.gz JZHJJDKVNCTNGP-UHFFFAOYSA-N 1 0 340.424 -1.061 20 0 EAADRO CC1(CNC(=O)Cn2ncnn2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001270879829 785634101 /nfs/dbraw/zinc/63/41/01/785634101.db2.gz QVBUFHOOMPVCCK-LLVKDONJSA-N 1 0 349.395 -1.303 20 0 EAADRO CC1(CNC(=O)Cn2ncnn2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001270879831 785633863 /nfs/dbraw/zinc/63/38/63/785633863.db2.gz QVBUFHOOMPVCCK-NSHDSACASA-N 1 0 349.395 -1.303 20 0 EAADRO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001270888022 785634476 /nfs/dbraw/zinc/63/44/76/785634476.db2.gz NRWSGFZLNGBCJT-JTQLQIEISA-N 1 0 338.372 -1.949 20 0 EAADRO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001270888023 785635111 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C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001270997040 785642285 /nfs/dbraw/zinc/64/22/85/785642285.db2.gz ZLCWSFQIZJCKNZ-NSHDSACASA-N 1 0 349.391 -1.021 20 0 EAADRO C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)Cc2nc(N)n[nH]2)C3)CC1 ZINC001271001684 785642816 /nfs/dbraw/zinc/64/28/16/785642816.db2.gz FLUCRRVBDGMCHD-LLVKDONJSA-N 1 0 347.423 -1.012 20 0 EAADRO C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)Cc2nc(N)n[nH]2)C3)CC1 ZINC001271001686 785643004 /nfs/dbraw/zinc/64/30/04/785643004.db2.gz FLUCRRVBDGMCHD-NSHDSACASA-N 1 0 347.423 -1.012 20 0 EAADRO C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)Cc2nc(N)n[nH]2)C3)CC1 ZINC001271002842 785643000 /nfs/dbraw/zinc/64/30/00/785643000.db2.gz PKMQBUSUZMYTOJ-QLJPJBMISA-N 1 0 347.423 -1.012 20 0 EAADRO CC(=O)NCC(=O)NCC1([NH2+]CCNC(=O)C2CC2)CCOCC1 ZINC001271015785 785645205 /nfs/dbraw/zinc/64/52/05/785645205.db2.gz AYBDODQCLSKBSX-UHFFFAOYSA-N 1 0 340.424 -1.096 20 0 EAADRO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001271020777 785645238 /nfs/dbraw/zinc/64/52/38/785645238.db2.gz CJKOCWQAVFHAJJ-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001271020778 785645194 /nfs/dbraw/zinc/64/51/94/785645194.db2.gz CJKOCWQAVFHAJJ-MNOVXSKESA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001271020779 785645080 /nfs/dbraw/zinc/64/50/80/785645080.db2.gz CJKOCWQAVFHAJJ-QWRGUYRKSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001271020780 785645068 /nfs/dbraw/zinc/64/50/68/785645068.db2.gz CJKOCWQAVFHAJJ-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001271021456 785645358 /nfs/dbraw/zinc/64/53/58/785645358.db2.gz NLPXOFLDSXIZAQ-LLVKDONJSA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001271021457 785645463 /nfs/dbraw/zinc/64/54/63/785645463.db2.gz NLPXOFLDSXIZAQ-NSHDSACASA-N 1 0 346.453 -1.117 20 0 EAADRO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)CN1CCCNC1=O ZINC001271021726 785645257 /nfs/dbraw/zinc/64/52/57/785645257.db2.gz SLNCVRCKPPJOQS-GFCCVEGCSA-N 1 0 340.428 -1.137 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)CN1CCCNC1=O ZINC001271021727 785645350 /nfs/dbraw/zinc/64/53/50/785645350.db2.gz SLNCVRCKPPJOQS-LBPRGKRZSA-N 1 0 340.428 -1.137 20 0 EAADRO C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)CN1CCCNC1=O ZINC001271021808 785645477 /nfs/dbraw/zinc/64/54/77/785645477.db2.gz UKRIWODVPCCVSW-LLVKDONJSA-N 1 0 334.442 -1.117 20 0 EAADRO C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)CN1CCCNC1=O ZINC001271021809 785645228 /nfs/dbraw/zinc/64/52/28/785645228.db2.gz UKRIWODVPCCVSW-NSHDSACASA-N 1 0 334.442 -1.117 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C3(CO)COC3)C[C@@]2(F)C1=O ZINC001271041732 785646440 /nfs/dbraw/zinc/64/64/40/785646440.db2.gz BNEZTAALHIWPBQ-HUUCEWRRSA-N 1 0 347.362 -1.342 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C1(CO)COC1)C2 ZINC001271041746 785646146 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COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCN(C)C2=O)CCOCC1 ZINC001271057149 785647241 /nfs/dbraw/zinc/64/72/41/785647241.db2.gz TVIZXEOVFJMLGM-STQMWFEESA-N 1 0 343.424 -1.273 20 0 EAADRO CS(=O)(=O)CC[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001271057340 785648507 /nfs/dbraw/zinc/64/85/07/785648507.db2.gz WKAJDVNGUQXFGL-NSHDSACASA-N 1 0 347.437 -1.578 20 0 EAADRO CCOCC[NH2+]C1(CNC(=O)CN2CCNC(=O)C2)CCOCC1 ZINC001271057414 785648356 /nfs/dbraw/zinc/64/83/56/785648356.db2.gz YAKXVKDPNQRDDO-UHFFFAOYSA-N 1 0 342.440 -1.290 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CNS(C)(=O)=O)C[C@H]21 ZINC001271059508 785648532 /nfs/dbraw/zinc/64/85/32/785648532.db2.gz AOVPUUJHEACOCF-NEPJUHHUSA-N 1 0 334.442 -1.991 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CNS(C)(=O)=O)C[C@@H]21 ZINC001271059509 785648498 /nfs/dbraw/zinc/64/84/98/785648498.db2.gz AOVPUUJHEACOCF-RYUDHWBXSA-N 1 0 334.442 -1.991 20 0 EAADRO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001271060423 785648490 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348.469 -1.207 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001271076603 785650666 /nfs/dbraw/zinc/65/06/66/785650666.db2.gz UMIFBZUZDIAFSH-NWDGAFQWSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001271076605 785650639 /nfs/dbraw/zinc/65/06/39/785650639.db2.gz UMIFBZUZDIAFSH-RYUDHWBXSA-N 1 0 348.469 -1.207 20 0 EAADRO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001271076607 785650618 /nfs/dbraw/zinc/65/06/18/785650618.db2.gz UMIFBZUZDIAFSH-VXGBXAGGSA-N 1 0 348.469 -1.207 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)NCC1([NH2+]CCO)CCOCC1 ZINC001271079275 785651094 /nfs/dbraw/zinc/65/10/94/785651094.db2.gz AHOBJZXFLYWRJW-UHFFFAOYSA-N 1 0 342.396 -1.434 20 0 EAADRO CC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)c3ncnn3C)C[C@H](C1)O2 ZINC001271082035 785650693 /nfs/dbraw/zinc/65/06/93/785650693.db2.gz YNOXXCBOBHMWCF-TXEJJXNPSA-N 1 0 336.396 -1.181 20 0 EAADRO 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C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001271122147 785655830 /nfs/dbraw/zinc/65/58/30/785655830.db2.gz VIHIYLQXOOJEGQ-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001271122150 785655950 /nfs/dbraw/zinc/65/59/50/785655950.db2.gz VIHIYLQXOOJEGQ-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CCNC3=O)C[C@@]2(F)C1=O ZINC001271122244 785655673 /nfs/dbraw/zinc/65/56/73/785655673.db2.gz BLNIVTFRIKAYIU-COLVAYQJSA-N 1 0 344.362 -1.215 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CCNC3=O)C[C@@]2(F)C1=O ZINC001271122245 785656021 /nfs/dbraw/zinc/65/60/21/785656021.db2.gz BLNIVTFRIKAYIU-VCTAVGKDSA-N 1 0 344.362 -1.215 20 0 EAADRO Cn1cncc1CN1CC2(CN(C(=O)[C@@H]3CCNC3=O)C2)OCC1=O ZINC001271122744 785656050 /nfs/dbraw/zinc/65/60/50/785656050.db2.gz HSYUBQLTMBVWST-GFCCVEGCSA-N 1 0 347.375 -1.504 20 0 EAADRO Cn1cncc1CN1CC2(CN(C(=O)[C@H]3CCNC3=O)C2)OCC1=O ZINC001271122746 785656420 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EAADRO C[C@@H](C(=O)N1C[C@@H]2OCCN(C(=O)c3ncnn3C)[C@H]2C1)[NH+](C)C ZINC001271147641 785661770 /nfs/dbraw/zinc/66/17/70/785661770.db2.gz OFCVFONBDVYHPU-SRVKXCTJSA-N 1 0 336.396 -1.183 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ncnn1C)[NH+](C)C ZINC001271147642 785661025 /nfs/dbraw/zinc/66/10/25/785661025.db2.gz OFCVFONBDVYHPU-TUAOUCFPSA-N 1 0 336.396 -1.183 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1ncnn1C)[NH+](C)C ZINC001271148420 785661526 /nfs/dbraw/zinc/66/15/26/785661526.db2.gz YOGVHBUBYYDXQA-SDDRHHMPSA-N 1 0 336.396 -1.183 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C)[NH+](C)C ZINC001271150199 785662405 /nfs/dbraw/zinc/66/24/05/785662405.db2.gz DKDHMDYNULECDH-SDDRHHMPSA-N 1 0 334.442 -1.346 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]2CN(S(=O)(=O)N(C)C)C[C@H](C1)O2)[NH+](C)C ZINC001271150553 785660818 /nfs/dbraw/zinc/66/08/18/785660818.db2.gz QMWFTTDVQLLYGX-SDDRHHMPSA-N 1 0 334.442 -1.346 20 0 EAADRO 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334.442 -1.862 20 0 EAADRO NS(=O)(=O)CCC(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001271287021 785690097 /nfs/dbraw/zinc/69/00/97/785690097.db2.gz IFCXYRMKZJTGOU-UHFFFAOYSA-N 1 0 327.410 -1.294 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001271287080 785689474 /nfs/dbraw/zinc/68/94/74/785689474.db2.gz IYMGBYVLSOEOBB-IHRRRGAJSA-N 1 0 348.407 -1.035 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001271287337 785689998 /nfs/dbraw/zinc/68/99/98/785689998.db2.gz LUVJUCVHWSTSTC-ZDUSSCGKSA-N 1 0 348.407 -1.593 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001271287379 785689975 /nfs/dbraw/zinc/68/99/75/785689975.db2.gz NMFJFVNOQOGFRD-LBPRGKRZSA-N 1 0 325.413 -1.785 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001271287390 785690181 /nfs/dbraw/zinc/69/01/81/785690181.db2.gz NONHJDCXGORUCZ-MELADBBJSA-N 1 0 339.440 -1.539 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)CCS(N)(=O)=O)C[C@H](C1)O2 ZINC001271287505 785689949 /nfs/dbraw/zinc/68/99/49/785689949.db2.gz ORSKGBBJOKYZPO-TXEJJXNPSA-N 1 0 334.442 -1.862 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001271287537 785690058 /nfs/dbraw/zinc/69/00/58/785690058.db2.gz PYAFIQNRHAWDCC-IHRRRGAJSA-N 1 0 339.440 -1.397 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CCS(N)(=O)=O)C[C@H]21 ZINC001271287546 785689626 /nfs/dbraw/zinc/68/96/26/785689626.db2.gz QGYGRBRMEYQWFY-NEPJUHHUSA-N 1 0 334.442 -1.862 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CCS(N)(=O)=O)C[C@@H]21 ZINC001271287547 785689700 /nfs/dbraw/zinc/68/97/00/785689700.db2.gz QGYGRBRMEYQWFY-RYUDHWBXSA-N 1 0 334.442 -1.862 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001271287595 785689822 /nfs/dbraw/zinc/68/98/22/785689822.db2.gz RRSZCFGRURPQSG-ZDUSSCGKSA-N 1 0 339.440 -1.538 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001271287806 785689680 /nfs/dbraw/zinc/68/96/80/785689680.db2.gz UDCVBPQDRZEVNQ-LBPRGKRZSA-N 1 0 325.413 -1.928 20 0 EAADRO CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001271288119 785689983 /nfs/dbraw/zinc/68/99/83/785689983.db2.gz YAXGAGKVXAALIR-MELADBBJSA-N 1 0 348.407 -1.178 20 0 EAADRO CN1C(=O)C[C@@H](C(=O)N2CC3(C2)C[NH+](CCn2ccnc2)C3)NC1=O ZINC001271293283 785691457 /nfs/dbraw/zinc/69/14/57/785691457.db2.gz BHSRGHFZDBJBHP-LBPRGKRZSA-N 1 0 346.391 -1.032 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN([C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001271298167 785690779 /nfs/dbraw/zinc/69/07/79/785690779.db2.gz VLIUZPCQNHCHIQ-LLVKDONJSA-N 1 0 338.408 -1.561 20 0 EAADRO C[NH+](C)C1(C(=O)NCC2(O)CN([C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001271298169 785691149 /nfs/dbraw/zinc/69/11/49/785691149.db2.gz VLIUZPCQNHCHIQ-NSHDSACASA-N 1 0 338.408 -1.561 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001271304161 785691942 /nfs/dbraw/zinc/69/19/42/785691942.db2.gz FSEAKFINVKSXOV-LLVKDONJSA-N 1 0 326.397 -1.094 20 0 EAADRO CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001271304162 785692327 /nfs/dbraw/zinc/69/23/27/785692327.db2.gz FSEAKFINVKSXOV-NSHDSACASA-N 1 0 326.397 -1.094 20 0 EAADRO CC(C)C[C@H](C[NH2+]C[C@@H](C)O)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001271304478 785691980 /nfs/dbraw/zinc/69/19/80/785691980.db2.gz JORIIBZXLAHNJI-GHMZBOCLSA-N 1 0 342.396 -1.092 20 0 EAADRO CC(C)C[C@@H](C[NH2+]C[C@@H](C)O)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001271304479 785692582 /nfs/dbraw/zinc/69/25/82/785692582.db2.gz JORIIBZXLAHNJI-MNOVXSKESA-N 1 0 342.396 -1.092 20 0 EAADRO CC(C)C[C@@H](C[NH2+]C[C@H](C)O)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001271304480 785692502 /nfs/dbraw/zinc/69/25/02/785692502.db2.gz JORIIBZXLAHNJI-QWRGUYRKSA-N 1 0 342.396 -1.092 20 0 EAADRO CC(C)C[C@H](C[NH2+]C[C@H](C)O)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001271304481 785692482 /nfs/dbraw/zinc/69/24/82/785692482.db2.gz JORIIBZXLAHNJI-WDEREUQCSA-N 1 0 342.396 -1.092 20 0 EAADRO NC(=O)c1nnc2n1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001271307764 785692151 /nfs/dbraw/zinc/69/21/51/785692151.db2.gz CMBDYAVKOZRNKO-UHFFFAOYSA-N 1 0 349.395 -1.693 20 0 EAADRO NC(=O)c1[nH]nc2c1CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001271308292 785691857 /nfs/dbraw/zinc/69/18/57/785691857.db2.gz FXZJNWNNJZQQQX-UHFFFAOYSA-N 1 0 348.407 -1.019 20 0 EAADRO NC(=O)[C@H]1CCC2(CN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)O1 ZINC001271309258 785692428 /nfs/dbraw/zinc/69/24/28/785692428.db2.gz MHWORJGCGANPJC-GFCCVEGCSA-N 1 0 338.408 -1.181 20 0 EAADRO NC(=O)[C@@H]1CCC2(CN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)O1 ZINC001271309259 785692411 /nfs/dbraw/zinc/69/24/11/785692411.db2.gz MHWORJGCGANPJC-LBPRGKRZSA-N 1 0 338.408 -1.181 20 0 EAADRO NC(=O)C1=NO[C@@H]2CN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C[C@H]12 ZINC001271309350 785692320 /nfs/dbraw/zinc/69/23/20/785692320.db2.gz OGCVAXWOCVCYLU-WDEREUQCSA-N 1 0 337.380 -1.728 20 0 EAADRO NC(=O)c1cn2c(n1)CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001271309659 785693746 /nfs/dbraw/zinc/69/37/46/785693746.db2.gz SIZBGNKQICSKRH-UHFFFAOYSA-N 1 0 348.407 -1.088 20 0 EAADRO NC(=O)c1cnc2n1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001271309890 785693127 /nfs/dbraw/zinc/69/31/27/785693127.db2.gz UEUGFZCJNSXABU-UHFFFAOYSA-N 1 0 348.407 -1.088 20 0 EAADRO NC(=O)c1[nH]nc2c1CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001271309906 785693297 /nfs/dbraw/zinc/69/32/97/785693297.db2.gz VHDJACAQIJETNC-UHFFFAOYSA-N 1 0 334.380 -1.062 20 0 EAADRO NC(=O)c1[nH]nc2c1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001271310001 785693266 /nfs/dbraw/zinc/69/32/66/785693266.db2.gz YKRKXYYXMOSYGO-UHFFFAOYSA-N 1 0 348.407 -1.019 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001271312135 785693440 /nfs/dbraw/zinc/69/34/40/785693440.db2.gz XRLWVWNDDYDPCZ-LLVKDONJSA-N 1 0 341.412 -1.253 20 0 EAADRO CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001271312141 785693494 /nfs/dbraw/zinc/69/34/94/785693494.db2.gz XRLWVWNDDYDPCZ-NSHDSACASA-N 1 0 341.412 -1.253 20 0 EAADRO CS(=O)(=O)NCC(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001271320220 785693384 /nfs/dbraw/zinc/69/33/84/785693384.db2.gz BFSUSOYVPQAUFT-UHFFFAOYSA-N 1 0 346.453 -1.276 20 0 EAADRO COc1ccnc(CN2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001271334976 785695694 /nfs/dbraw/zinc/69/56/94/785695694.db2.gz DCOYWLYJEDBHQQ-CYBMUJFWSA-N 1 0 334.376 -1.111 20 0 EAADRO COc1ccnc(CN2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001271334977 785695174 /nfs/dbraw/zinc/69/51/74/785695174.db2.gz DCOYWLYJEDBHQQ-ZDUSSCGKSA-N 1 0 334.376 -1.111 20 0 EAADRO O=C(NCC1(O)CN(C[C@H](O)Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001271336038 785695501 /nfs/dbraw/zinc/69/55/01/785695501.db2.gz TZPSZHLMHBTHGI-CABCVRRESA-N 1 0 347.415 -1.111 20 0 EAADRO O=C(NCC1(O)CN(C[C@@H](O)Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001271336039 785695651 /nfs/dbraw/zinc/69/56/51/785695651.db2.gz TZPSZHLMHBTHGI-GJZGRUSLSA-N 1 0 347.415 -1.111 20 0 EAADRO O=C(NCC1(O)CN(C[C@H](O)Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001271336040 785695861 /nfs/dbraw/zinc/69/58/61/785695861.db2.gz TZPSZHLMHBTHGI-HUUCEWRRSA-N 1 0 347.415 -1.111 20 0 EAADRO O=C(NCC1(O)CN(C[C@@H](O)Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001271336041 785695232 /nfs/dbraw/zinc/69/52/32/785695232.db2.gz TZPSZHLMHBTHGI-LSDHHAIUSA-N 1 0 347.415 -1.111 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(CCCO[C@@H]3CCOC3)C2)n1 ZINC001271336207 785695894 /nfs/dbraw/zinc/69/58/94/785695894.db2.gz ZBHDTKKWOWDSEJ-LLVKDONJSA-N 1 0 340.384 -1.818 20 0 EAADRO Cn1nnc(C(=O)NCC2(O)CN(CCCO[C@H]3CCOC3)C2)n1 ZINC001271336208 785695401 /nfs/dbraw/zinc/69/54/01/785695401.db2.gz ZBHDTKKWOWDSEJ-NSHDSACASA-N 1 0 340.384 -1.818 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001271342893 785697205 /nfs/dbraw/zinc/69/72/05/785697205.db2.gz GLUWSGYDDYIZGH-LLVKDONJSA-N 1 0 326.397 -1.704 20 0 EAADRO C[NH+](C)CCCC(=O)NCC1(O)CN([C@H]2CCC(=O)NC2=O)C1 ZINC001271342894 785696961 /nfs/dbraw/zinc/69/69/61/785696961.db2.gz GLUWSGYDDYIZGH-NSHDSACASA-N 1 0 326.397 -1.704 20 0 EAADRO CCOCCCN1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001271358100 785697822 /nfs/dbraw/zinc/69/78/22/785697822.db2.gz ZPMDLZWUXHNKFL-NWDGAFQWSA-N 1 0 329.397 -1.391 20 0 EAADRO CC[N@H+](C)CC(=O)N1CCn2cc(C(=O)Nc3nnnn3C)nc2C1 ZINC001271358856 785698049 /nfs/dbraw/zinc/69/80/49/785698049.db2.gz CXBWYPTZSGVGCW-UHFFFAOYSA-N 1 0 347.383 -1.047 20 0 EAADRO CC[N@H+](C)CC(=O)N1C[C@@H]2C(C(=O)NCC(=O)N(C)C)=NO[C@@H]2C1 ZINC001271359298 785697801 /nfs/dbraw/zinc/69/78/01/785697801.db2.gz MHUAKMIAUFXGBH-WDEREUQCSA-N 1 0 339.396 -1.644 20 0 EAADRO CC[N@H+](C)CC(=O)N1C[C@@H]2C(C(=O)NCCn3ccnn3)=NO[C@@H]2C1 ZINC001271359333 785697904 /nfs/dbraw/zinc/69/79/04/785697904.db2.gz NIUFLMYOOHTQSP-NWDGAFQWSA-N 1 0 349.395 -1.441 20 0 EAADRO CC[N@H+](C)CC(=O)N1CCn2c(C(=O)Nc3nnnn3C)cnc2C1 ZINC001271359371 785697896 /nfs/dbraw/zinc/69/78/96/785697896.db2.gz OMMYHMBIEFTGTO-UHFFFAOYSA-N 1 0 347.383 -1.047 20 0 EAADRO CC[N@H+](C)CC(=O)N1CCn2c(nnc2C(=O)NCC2COC2)C1 ZINC001271359568 785697874 /nfs/dbraw/zinc/69/78/74/785697874.db2.gz QTDYTCYOBUUEGQ-UHFFFAOYSA-N 1 0 336.396 -1.052 20 0 EAADRO CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@H](C(=O)NCC(=O)N(C)C)O2 ZINC001271360089 785698526 /nfs/dbraw/zinc/69/85/26/785698526.db2.gz YQWPLQOAFKFTBD-GFCCVEGCSA-N 1 0 340.424 -1.098 20 0 EAADRO CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@@H](C(=O)NCC(=O)N(C)C)O2 ZINC001271360091 785697641 /nfs/dbraw/zinc/69/76/41/785697641.db2.gz YQWPLQOAFKFTBD-LBPRGKRZSA-N 1 0 340.424 -1.098 20 0 EAADRO CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@@H](C(=O)Nc1nnnn1C)O2 ZINC001271360136 785698022 /nfs/dbraw/zinc/69/80/22/785698022.db2.gz ZKUDTQYCYWDHID-JTQLQIEISA-N 1 0 337.384 -1.140 20 0 EAADRO CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@H](C(=O)Nc1nnnn1C)O2 ZINC001271360138 785698230 /nfs/dbraw/zinc/69/82/30/785698230.db2.gz ZKUDTQYCYWDHID-SNVBAGLBSA-N 1 0 337.384 -1.140 20 0 EAADRO CC[N@H+](C)CC(=O)N1CC2(C[C@@H]2C(=O)NCCS(C)(=O)=O)C1 ZINC001271364004 785697778 /nfs/dbraw/zinc/69/77/78/785697778.db2.gz BAONKGGZSGZITG-LLVKDONJSA-N 1 0 331.438 -1.053 20 0 EAADRO CC[N@H+](C)CC(=O)N1CC2(C[C@H]2C(=O)NCCS(C)(=O)=O)C1 ZINC001271364006 785697946 /nfs/dbraw/zinc/69/79/46/785697946.db2.gz BAONKGGZSGZITG-NSHDSACASA-N 1 0 331.438 -1.053 20 0 EAADRO CC[N@H+](C)CC(=O)N1C[C@H]2C[C@@]2(C(=O)NCCS(C)(=O)=O)C1 ZINC001271366589 785698511 /nfs/dbraw/zinc/69/85/11/785698511.db2.gz XMIAQOITQQIVDL-BXUZGUMPSA-N 1 0 331.438 -1.053 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001271374487 785699199 /nfs/dbraw/zinc/69/91/99/785699199.db2.gz HXKUXKYMSUMVJS-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001271374488 785700038 /nfs/dbraw/zinc/70/00/38/785700038.db2.gz HXKUXKYMSUMVJS-NWDGAFQWSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001271374489 785699104 /nfs/dbraw/zinc/69/91/04/785699104.db2.gz HXKUXKYMSUMVJS-RYUDHWBXSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001271374490 785699688 /nfs/dbraw/zinc/69/96/88/785699688.db2.gz HXKUXKYMSUMVJS-VXGBXAGGSA-N 1 0 348.469 -1.030 20 0 EAADRO CC[C@H](C(=O)NCC1(O)CN(CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001271380035 785699311 /nfs/dbraw/zinc/69/93/11/785699311.db2.gz DHUVJBSVMCQOCI-LLVKDONJSA-N 1 0 341.412 -1.959 20 0 EAADRO CC[C@@H](C(=O)NCC1(O)CN(CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001271380036 785698975 /nfs/dbraw/zinc/69/89/75/785698975.db2.gz DHUVJBSVMCQOCI-NSHDSACASA-N 1 0 341.412 -1.959 20 0 EAADRO CCOCCN1CC(O)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001271380196 785699041 /nfs/dbraw/zinc/69/90/41/785699041.db2.gz GQTKURODJVUKFF-UHFFFAOYSA-N 1 0 328.369 -1.920 20 0 EAADRO COC[C@H](O)CN1CC(O)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001271380211 785699793 /nfs/dbraw/zinc/69/97/93/785699793.db2.gz HUMDGGGTXLAKNZ-SNVBAGLBSA-N 1 0 344.368 -2.949 20 0 EAADRO C[C@H](C(=O)NC(N)=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001271380272 785701256 /nfs/dbraw/zinc/70/12/56/785701256.db2.gz JOOJCSXBZFLCNF-LLVKDONJSA-N 1 0 343.428 -1.535 20 0 EAADRO C[C@@H](C(=O)NC(N)=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001271380273 785700825 /nfs/dbraw/zinc/70/08/25/785700825.db2.gz JOOJCSXBZFLCNF-NSHDSACASA-N 1 0 343.428 -1.535 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001271380338 785700467 /nfs/dbraw/zinc/70/04/67/785700467.db2.gz KULOGBQNHOVBJP-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCC[N@H+](C)CCC(=O)NCC1(O)CN([C@H]2CCC(=O)NC2=O)C1 ZINC001271380341 785701422 /nfs/dbraw/zinc/70/14/22/785701422.db2.gz KULOGBQNHOVBJP-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO O=C(C[NH+]1CCCC1)NCC1(O)CN(CCN2C(=O)CNC2=O)C1 ZINC001271387882 785700722 /nfs/dbraw/zinc/70/07/22/785700722.db2.gz INDUFAMGGRQUKU-UHFFFAOYSA-N 1 0 339.396 -2.203 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NCC1(O)C[NH+](CC2CCOCC2)C1 ZINC001271400264 785703859 /nfs/dbraw/zinc/70/38/59/785703859.db2.gz OQPJXLBNOWQNRW-GFCCVEGCSA-N 1 0 339.392 -1.371 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NCC1(O)C[NH+](CC2CCOCC2)C1 ZINC001271400266 785703898 /nfs/dbraw/zinc/70/38/98/785703898.db2.gz OQPJXLBNOWQNRW-LBPRGKRZSA-N 1 0 339.392 -1.371 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCCO)[C@@H](C)C1 ZINC001271402725 785703788 /nfs/dbraw/zinc/70/37/88/785703788.db2.gz GLXOSRYMMFGZRU-AAEUAGOBSA-N 1 0 328.413 -1.552 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCCO)[C@H](C)C1 ZINC001271402729 785703804 /nfs/dbraw/zinc/70/38/04/785703804.db2.gz GLXOSRYMMFGZRU-DGCLKSJQSA-N 1 0 328.413 -1.552 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCCO)[C@@H](C)C1 ZINC001271402731 785703641 /nfs/dbraw/zinc/70/36/41/785703641.db2.gz GLXOSRYMMFGZRU-WCQYABFASA-N 1 0 328.413 -1.552 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]CCCO)[C@H](C)C1 ZINC001271402733 785703524 /nfs/dbraw/zinc/70/35/24/785703524.db2.gz GLXOSRYMMFGZRU-YPMHNXCESA-N 1 0 328.413 -1.552 20 0 EAADRO NC(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001271407004 785704029 /nfs/dbraw/zinc/70/40/29/785704029.db2.gz FQCUIRHBSLWHRV-SRVKXCTJSA-N 1 0 336.392 -1.020 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001271407005 785703841 /nfs/dbraw/zinc/70/38/41/785703841.db2.gz FQCUIRHBSLWHRV-TUAOUCFPSA-N 1 0 336.392 -1.020 20 0 EAADRO CCOCC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001271418738 785704096 /nfs/dbraw/zinc/70/40/96/785704096.db2.gz VVJXSFDBGUUQMJ-NEPJUHHUSA-N 1 0 336.458 -1.097 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C ZINC001271418740 785704069 /nfs/dbraw/zinc/70/40/69/785704069.db2.gz VVJXSFDBGUUQMJ-NWDGAFQWSA-N 1 0 336.458 -1.097 20 0 EAADRO CCOCC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C ZINC001271418741 785704087 /nfs/dbraw/zinc/70/40/87/785704087.db2.gz VVJXSFDBGUUQMJ-RYUDHWBXSA-N 1 0 336.458 -1.097 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001271418743 785703983 /nfs/dbraw/zinc/70/39/83/785703983.db2.gz VVJXSFDBGUUQMJ-VXGBXAGGSA-N 1 0 336.458 -1.097 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001271429003 785705535 /nfs/dbraw/zinc/70/55/35/785705535.db2.gz YSUUXALCMLPEJM-GHMZBOCLSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001271429006 785705812 /nfs/dbraw/zinc/70/58/12/785705812.db2.gz YSUUXALCMLPEJM-MNOVXSKESA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001271429007 785705866 /nfs/dbraw/zinc/70/58/66/785705866.db2.gz YSUUXALCMLPEJM-QWRGUYRKSA-N 1 0 346.453 -1.372 20 0 EAADRO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001271429008 785705821 /nfs/dbraw/zinc/70/58/21/785705821.db2.gz YSUUXALCMLPEJM-WDEREUQCSA-N 1 0 346.453 -1.372 20 0 EAADRO CNC(=O)C(=O)N1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001271435165 785705523 /nfs/dbraw/zinc/70/55/23/785705523.db2.gz KNANSNRCSKAAKC-GFCCVEGCSA-N 1 0 348.407 -1.022 20 0 EAADRO CNC(=O)C(=O)N1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001271435166 785705960 /nfs/dbraw/zinc/70/59/60/785705960.db2.gz KNANSNRCSKAAKC-LBPRGKRZSA-N 1 0 348.407 -1.022 20 0 EAADRO CNC(=O)C(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001271435942 785705801 /nfs/dbraw/zinc/70/58/01/785705801.db2.gz UIXJIHOOACJWOU-BDJLRTHQSA-N 1 0 348.407 -1.022 20 0 EAADRO CNC(=O)C(=O)N1Cc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001271441320 785709031 /nfs/dbraw/zinc/70/90/31/785709031.db2.gz HLSULYOJOWQXDH-UHFFFAOYSA-N 1 0 334.380 -1.178 20 0 EAADRO CNC(=O)C(=O)N1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001271441372 785709019 /nfs/dbraw/zinc/70/90/19/785709019.db2.gz IVNHVEIVWMRETD-WDEREUQCSA-N 1 0 337.380 -1.844 20 0 EAADRO CNC(=O)C(=O)N1CCn2c(ncc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001271441718 785709000 /nfs/dbraw/zinc/70/90/00/785709000.db2.gz NPHHBIMRAVAXSL-UHFFFAOYSA-N 1 0 348.407 -1.205 20 0 EAADRO CNC(=O)C(=O)N1CCn2cc(C(=O)NC3CC[NH+](C)CC3)nc2C1 ZINC001271441888 785709591 /nfs/dbraw/zinc/70/95/91/785709591.db2.gz PTUUFWKCOXXOBG-UHFFFAOYSA-N 1 0 348.407 -1.205 20 0 EAADRO CC(C)[NH+]1CCN(CC(=O)N2CCn3c(nnc3C(N)=O)C2)CC1 ZINC001271441905 785709829 /nfs/dbraw/zinc/70/98/29/785709829.db2.gz MRSAJEKZDUPPIB-UHFFFAOYSA-N 1 0 335.412 -1.255 20 0 EAADRO CNC(=O)C(=O)N1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001271441920 785709683 /nfs/dbraw/zinc/70/96/83/785709683.db2.gz QGTGSKMOZQPLTP-UHFFFAOYSA-N 1 0 348.407 -1.136 20 0 EAADRO CNC(=O)C(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001271441927 785709564 /nfs/dbraw/zinc/70/95/64/785709564.db2.gz QWLVHWOQSUOEOG-GFCCVEGCSA-N 1 0 338.408 -1.297 20 0 EAADRO CNC(=O)C(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001271441928 785709666 /nfs/dbraw/zinc/70/96/66/785709666.db2.gz QWLVHWOQSUOEOG-LBPRGKRZSA-N 1 0 338.408 -1.297 20 0 EAADRO CNC(=O)C(=O)N1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001271441960 785709613 /nfs/dbraw/zinc/70/96/13/785709613.db2.gz RTBZMRXNTUHVBP-UHFFFAOYSA-N 1 0 349.395 -1.810 20 0 EAADRO CNC(=O)C(=O)N1CCc2c(n[nH]c2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001271442336 785709812 /nfs/dbraw/zinc/70/98/12/785709812.db2.gz XZUWBHQATWEQEP-UHFFFAOYSA-N 1 0 348.407 -1.136 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001271446246 785709766 /nfs/dbraw/zinc/70/97/66/785709766.db2.gz HPKKLTPXCNNQKL-GHMZBOCLSA-N 1 0 344.441 -1.277 20 0 EAADRO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001271446248 785709779 /nfs/dbraw/zinc/70/97/79/785709779.db2.gz HPKKLTPXCNNQKL-MNOVXSKESA-N 1 0 344.441 -1.277 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001271446250 785711510 /nfs/dbraw/zinc/71/15/10/785711510.db2.gz HPKKLTPXCNNQKL-QWRGUYRKSA-N 1 0 344.441 -1.277 20 0 EAADRO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001271446252 785711257 /nfs/dbraw/zinc/71/12/57/785711257.db2.gz HPKKLTPXCNNQKL-WDEREUQCSA-N 1 0 344.441 -1.277 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)COCCOC)C1 ZINC001271473261 785714830 /nfs/dbraw/zinc/71/48/30/785714830.db2.gz YRRYFWUJYGDCTL-NEPJUHHUSA-N 1 0 344.412 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)COCCOC)C1 ZINC001271473262 785714966 /nfs/dbraw/zinc/71/49/66/785714966.db2.gz YRRYFWUJYGDCTL-NWDGAFQWSA-N 1 0 344.412 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)COCCOC)C1 ZINC001271473263 785714921 /nfs/dbraw/zinc/71/49/21/785714921.db2.gz YRRYFWUJYGDCTL-RYUDHWBXSA-N 1 0 344.412 -1.068 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)COCCOC)C1 ZINC001271473264 785715276 /nfs/dbraw/zinc/71/52/76/785715276.db2.gz YRRYFWUJYGDCTL-VXGBXAGGSA-N 1 0 344.412 -1.068 20 0 EAADRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271479769 785716085 /nfs/dbraw/zinc/71/60/85/785716085.db2.gz BKHVZPGQORYTMO-NEPJUHHUSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271479772 785716125 /nfs/dbraw/zinc/71/61/25/785716125.db2.gz BKHVZPGQORYTMO-NWDGAFQWSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271479774 785716364 /nfs/dbraw/zinc/71/63/64/785716364.db2.gz BKHVZPGQORYTMO-RYUDHWBXSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271479776 785716397 /nfs/dbraw/zinc/71/63/97/785716397.db2.gz BKHVZPGQORYTMO-VXGBXAGGSA-N 1 0 348.469 -1.030 20 0 EAADRO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271482740 785716168 /nfs/dbraw/zinc/71/61/68/785716168.db2.gz QHLPYIHWXYYECE-NEPJUHHUSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@H]([NH2+]CCN1CCCS1(=O)=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271482742 785716190 /nfs/dbraw/zinc/71/61/90/785716190.db2.gz QHLPYIHWXYYECE-NWDGAFQWSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@H]([NH2+]CCN1CCCS1(=O)=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271482744 785716061 /nfs/dbraw/zinc/71/60/61/785716061.db2.gz QHLPYIHWXYYECE-RYUDHWBXSA-N 1 0 346.453 -1.276 20 0 EAADRO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271482746 785715887 /nfs/dbraw/zinc/71/58/87/785715887.db2.gz QHLPYIHWXYYECE-VXGBXAGGSA-N 1 0 346.453 -1.276 20 0 EAADRO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4nc(N)n[nH]4)CC3)[C@@H]2C1 ZINC001271500593 785717280 /nfs/dbraw/zinc/71/72/80/785717280.db2.gz SMSBBSDYDTUGBQ-NXEZZACHSA-N 1 0 333.396 -1.402 20 0 EAADRO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)Cc4nc(N)n[nH]4)CC3)[C@H]2C1 ZINC001271500594 785717025 /nfs/dbraw/zinc/71/70/25/785717025.db2.gz SMSBBSDYDTUGBQ-UWVGGRQHSA-N 1 0 333.396 -1.402 20 0 EAADRO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C4=NNC(=O)CC4)CC3)[C@@H]2C1 ZINC001271503283 785716925 /nfs/dbraw/zinc/71/69/25/785716925.db2.gz ODINCKQDANPCGE-GHMZBOCLSA-N 1 0 333.392 -1.079 20 0 EAADRO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C4=NNC(=O)CC4)CC3)[C@H]2C1 ZINC001271503284 785717092 /nfs/dbraw/zinc/71/70/92/785717092.db2.gz ODINCKQDANPCGE-QWRGUYRKSA-N 1 0 333.392 -1.079 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)CN3CCC(=O)C3)C2)OCC1=O ZINC001271505040 785717967 /nfs/dbraw/zinc/71/79/67/785717967.db2.gz NLOFFSQUDKINFH-UHFFFAOYSA-N 1 0 338.408 -1.737 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CN1CCC(=O)C1)C2 ZINC001271505449 785718245 /nfs/dbraw/zinc/71/82/45/785718245.db2.gz ROIRFRUNBQWEPW-UHFFFAOYSA-N 1 0 338.408 -1.737 20 0 EAADRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001271517299 785718762 /nfs/dbraw/zinc/71/87/62/785718762.db2.gz DQPDOVURDTUFKE-NXEZZACHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001271517300 785718865 /nfs/dbraw/zinc/71/88/65/785718865.db2.gz DQPDOVURDTUFKE-UWVGGRQHSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001271517302 785719040 /nfs/dbraw/zinc/71/90/40/785719040.db2.gz DQPDOVURDTUFKE-VHSXEESVSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001271517304 785718910 /nfs/dbraw/zinc/71/89/10/785718910.db2.gz DQPDOVURDTUFKE-ZJUUUORDSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]([NH2+]CC(=O)Nc1nncs1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001271522934 785718958 /nfs/dbraw/zinc/71/89/58/785718958.db2.gz YRECAUOVKFTNAK-HTQZYQBOSA-N 1 0 326.382 -1.212 20 0 EAADRO C[C@H]([NH2+]CC(=O)Nc1nncs1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001271522935 785718826 /nfs/dbraw/zinc/71/88/26/785718826.db2.gz YRECAUOVKFTNAK-JGVFFNPUSA-N 1 0 326.382 -1.212 20 0 EAADRO C[C@@H]([NH2+]CC(=O)Nc1nncs1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001271522936 785719107 /nfs/dbraw/zinc/71/91/07/785719107.db2.gz YRECAUOVKFTNAK-SFYZADRCSA-N 1 0 326.382 -1.212 20 0 EAADRO C[C@H]([NH2+]CC(=O)Nc1nncs1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001271522937 785718798 /nfs/dbraw/zinc/71/87/98/785718798.db2.gz YRECAUOVKFTNAK-YUMQZZPRSA-N 1 0 326.382 -1.212 20 0 EAADRO CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001271533484 785719874 /nfs/dbraw/zinc/71/98/74/785719874.db2.gz KAUKGOQTJZJTHD-INIZCTEOSA-N 1 0 339.440 -1.523 20 0 EAADRO CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001271533485 785720235 /nfs/dbraw/zinc/72/02/35/785720235.db2.gz KAUKGOQTJZJTHD-MRXNPFEDSA-N 1 0 339.440 -1.523 20 0 EAADRO 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785720031 /nfs/dbraw/zinc/72/00/31/785720031.db2.gz MQYOBAFMVGMIRA-GHMZBOCLSA-N 1 0 349.391 -1.793 20 0 EAADRO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CN4C(=O)CNC4=O)CC3)[C@H]2C1 ZINC001271536180 785719910 /nfs/dbraw/zinc/71/99/10/785719910.db2.gz MQYOBAFMVGMIRA-QWRGUYRKSA-N 1 0 349.391 -1.793 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001271536382 785720071 /nfs/dbraw/zinc/72/00/71/785720071.db2.gz MXBMQBNNBOMEMU-UHFFFAOYSA-N 1 0 332.364 -1.421 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H](C1)O2 ZINC001271536453 785719720 /nfs/dbraw/zinc/71/97/20/785719720.db2.gz PTCLXQQNZCTJQV-TXEJJXNPSA-N 1 0 339.396 -1.989 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001271536607 785720080 /nfs/dbraw/zinc/72/00/80/785720080.db2.gz RILUNISGAIWPDB-UHFFFAOYSA-N 1 0 346.391 -1.031 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001271536851 785719743 /nfs/dbraw/zinc/71/97/43/785719743.db2.gz WIPIMEFYBRSHGP-NEPJUHHUSA-N 1 0 339.396 -1.989 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001271536852 785719711 /nfs/dbraw/zinc/71/97/11/785719711.db2.gz WIPIMEFYBRSHGP-RYUDHWBXSA-N 1 0 339.396 -1.989 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001271536982 785719814 /nfs/dbraw/zinc/71/98/14/785719814.db2.gz YAIPQEIEPFCRDG-UHFFFAOYSA-N 1 0 332.364 -1.004 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001271552825 785720821 /nfs/dbraw/zinc/72/08/21/785720821.db2.gz UVDIHWGZSRUWHT-GHMZBOCLSA-N 1 0 339.396 -1.547 20 0 EAADRO CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001271552829 785721093 /nfs/dbraw/zinc/72/10/93/785721093.db2.gz UVDIHWGZSRUWHT-MNOVXSKESA-N 1 0 339.396 -1.547 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001271552830 785720615 /nfs/dbraw/zinc/72/06/15/785720615.db2.gz UVDIHWGZSRUWHT-QWRGUYRKSA-N 1 0 339.396 -1.547 20 0 EAADRO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001271552831 785721246 /nfs/dbraw/zinc/72/12/46/785721246.db2.gz UVDIHWGZSRUWHT-WDEREUQCSA-N 1 0 339.396 -1.547 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001271553157 785721179 /nfs/dbraw/zinc/72/11/79/785721179.db2.gz VRWDWAMAZRUQFB-GHMZBOCLSA-N 1 0 339.396 -1.499 20 0 EAADRO CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001271553159 785720711 /nfs/dbraw/zinc/72/07/11/785720711.db2.gz VRWDWAMAZRUQFB-MNOVXSKESA-N 1 0 339.396 -1.499 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001271553161 785720788 /nfs/dbraw/zinc/72/07/88/785720788.db2.gz VRWDWAMAZRUQFB-QWRGUYRKSA-N 1 0 339.396 -1.499 20 0 EAADRO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001271553163 785720754 /nfs/dbraw/zinc/72/07/54/785720754.db2.gz VRWDWAMAZRUQFB-WDEREUQCSA-N 1 0 339.396 -1.499 20 0 EAADRO CNS(=O)(=O)NCC(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001271559462 785721364 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EAADRO C[NH+](C)CCN1C[C@]2(CCN(C(=O)c3cncc(=O)[nH]3)C2)OCC1=O ZINC001271573268 785721202 /nfs/dbraw/zinc/72/12/02/785721202.db2.gz TZKSEPCLGKXJPE-INIZCTEOSA-N 1 0 349.391 -1.225 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(CCN(C(=O)c3cncc(=O)[nH]3)C2)OCC1=O ZINC001271573270 785720946 /nfs/dbraw/zinc/72/09/46/785720946.db2.gz TZKSEPCLGKXJPE-MRXNPFEDSA-N 1 0 349.391 -1.225 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3cncc(=O)[nH]3)C2)OCC1=O ZINC001271573928 785720779 /nfs/dbraw/zinc/72/07/79/785720779.db2.gz XQQMVMAFVFEJGL-UHFFFAOYSA-N 1 0 335.364 -1.615 20 0 EAADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001271574228 785720734 /nfs/dbraw/zinc/72/07/34/785720734.db2.gz YDUKVGJAYDNSNV-NEPJUHHUSA-N 1 0 336.400 -1.618 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001271574234 785720829 /nfs/dbraw/zinc/72/08/29/785720829.db2.gz YDUKVGJAYDNSNV-NWDGAFQWSA-N 1 0 336.400 -1.618 20 0 EAADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001271574235 785720845 /nfs/dbraw/zinc/72/08/45/785720845.db2.gz YDUKVGJAYDNSNV-RYUDHWBXSA-N 1 0 336.400 -1.618 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CC[C@H]1CCCCN1C(=O)C(N)=O ZINC001271575488 785720669 /nfs/dbraw/zinc/72/06/69/785720669.db2.gz GEZLFZRYWIWRKM-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001271575489 785720794 /nfs/dbraw/zinc/72/07/94/785720794.db2.gz GEZLFZRYWIWRKM-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@@H]1CC[NH2+]CCN1CCCS1(=O)=O ZINC001271577940 785720905 /nfs/dbraw/zinc/72/09/05/785720905.db2.gz XWRQNCKUVTUQMQ-GFCCVEGCSA-N 1 0 346.453 -1.132 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@H]1CC[NH2+]CCN1CCCS1(=O)=O ZINC001271577941 785721048 /nfs/dbraw/zinc/72/10/48/785721048.db2.gz XWRQNCKUVTUQMQ-LBPRGKRZSA-N 1 0 346.453 -1.132 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@@H]1CC[NH2+]CCCN1C(=O)CNC1=O ZINC001271577958 785721040 /nfs/dbraw/zinc/72/10/40/785721040.db2.gz YICBTEWABPLJNY-LLVKDONJSA-N 1 0 339.396 -1.226 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@H]1CC[NH2+]CCCN1C(=O)CNC1=O ZINC001271577959 785721031 /nfs/dbraw/zinc/72/10/31/785721031.db2.gz YICBTEWABPLJNY-NSHDSACASA-N 1 0 339.396 -1.226 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001271579116 785722180 /nfs/dbraw/zinc/72/21/80/785722180.db2.gz DAGHWYQCXMZQEM-ILXRZTDVSA-N 1 0 326.441 -1.210 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001271579118 785722077 /nfs/dbraw/zinc/72/20/77/785722077.db2.gz DAGHWYQCXMZQEM-KFWWJZLASA-N 1 0 326.441 -1.210 20 0 EAADRO CN1CCOC[C@H]1C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001271579119 785721717 /nfs/dbraw/zinc/72/17/17/785721717.db2.gz DAGHWYQCXMZQEM-KKUMJFAQSA-N 1 0 326.441 -1.210 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001271579122 785722164 /nfs/dbraw/zinc/72/21/64/785722164.db2.gz DAGHWYQCXMZQEM-ZNMIVQPWSA-N 1 0 326.441 -1.210 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001271579297 785721692 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336.436 -1.014 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001271582865 785722998 /nfs/dbraw/zinc/72/29/98/785722998.db2.gz UNVLUNLVOYDXED-MELADBBJSA-N 1 0 336.436 -1.014 20 0 EAADRO CN1CCOC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001271582867 785722993 /nfs/dbraw/zinc/72/29/93/785722993.db2.gz UNVLUNLVOYDXED-MGPQQGTHSA-N 1 0 336.436 -1.014 20 0 EAADRO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(C(=O)C4(O)CC4)C[C@H]23)CC1 ZINC001271587507 785722102 /nfs/dbraw/zinc/72/21/02/785722102.db2.gz GQFRDPKMKMVNSH-NWDGAFQWSA-N 1 0 336.392 -1.065 20 0 EAADRO C[NH+]1CCC(NC(=O)c2nnc3n2CCN(C(=O)C2(O)CC2)C3)CC1 ZINC001271588216 785722134 /nfs/dbraw/zinc/72/21/34/785722134.db2.gz PDFBXIJVVVTQME-UHFFFAOYSA-N 1 0 348.407 -1.031 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)COCCOC)C[C@H]1C ZINC001271591971 785723872 /nfs/dbraw/zinc/72/38/72/785723872.db2.gz FCKYCEVWMZISJZ-NEPJUHHUSA-N 1 0 344.412 -1.211 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCOC)C[C@@H]1C ZINC001271591972 785723934 /nfs/dbraw/zinc/72/39/34/785723934.db2.gz FCKYCEVWMZISJZ-NWDGAFQWSA-N 1 0 344.412 -1.211 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)COCCOC)C[C@@H]1C ZINC001271591973 785723754 /nfs/dbraw/zinc/72/37/54/785723754.db2.gz FCKYCEVWMZISJZ-RYUDHWBXSA-N 1 0 344.412 -1.211 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001271594100 785723666 /nfs/dbraw/zinc/72/36/66/785723666.db2.gz PKWBHYQAYYWWAK-UWVGGRQHSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001271594101 785723459 /nfs/dbraw/zinc/72/34/59/785723459.db2.gz PKWBHYQAYYWWAK-VHSXEESVSA-N 1 0 327.385 -1.608 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001271594102 785723621 /nfs/dbraw/zinc/72/36/21/785723621.db2.gz PKWBHYQAYYWWAK-ZJUUUORDSA-N 1 0 327.385 -1.608 20 0 EAADRO NC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001271610761 785724878 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C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C[NH2+]CCOCCO ZINC001271631162 785725226 /nfs/dbraw/zinc/72/52/26/785725226.db2.gz YCDVAOXHMIPLRB-QWHCGFSZSA-N 1 0 341.412 -1.725 20 0 EAADRO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C[NH2+]CCOCCO ZINC001271631164 785725697 /nfs/dbraw/zinc/72/56/97/785725697.db2.gz YCDVAOXHMIPLRB-STQMWFEESA-N 1 0 341.412 -1.725 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001271639474 785726587 /nfs/dbraw/zinc/72/65/87/785726587.db2.gz KZLQHAIKMZBYJI-MNOVXSKESA-N 1 0 344.441 -1.006 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001271639475 785726902 /nfs/dbraw/zinc/72/69/02/785726902.db2.gz KZLQHAIKMZBYJI-QWRGUYRKSA-N 1 0 344.441 -1.006 20 0 EAADRO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001271639476 785726594 /nfs/dbraw/zinc/72/65/94/785726594.db2.gz KZLQHAIKMZBYJI-WDEREUQCSA-N 1 0 344.441 -1.006 20 0 EAADRO Cc1nc(C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)c[nH]c1=O ZINC001271639951 785725396 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344.441 -1.006 20 0 EAADRO C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001271681802 785728549 /nfs/dbraw/zinc/72/85/49/785728549.db2.gz BBBHHQOIJKNKHD-WDEREUQCSA-N 1 0 344.441 -1.006 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)NC1=O ZINC001271688691 785728597 /nfs/dbraw/zinc/72/85/97/785728597.db2.gz AMLWHNIMFXGXRH-SRVKXCTJSA-N 1 0 335.408 -1.321 20 0 EAADRO CN1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)NC1=O ZINC001271688693 785728721 /nfs/dbraw/zinc/72/87/21/785728721.db2.gz AMLWHNIMFXGXRH-UTUOFQBUSA-N 1 0 335.408 -1.321 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)NC1=O ZINC001271691213 785728829 /nfs/dbraw/zinc/72/88/29/785728829.db2.gz DQXGKYDMLWARJS-AVGNSLFASA-N 1 0 325.413 -1.517 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)NC1=O ZINC001271691214 785728953 /nfs/dbraw/zinc/72/89/53/785728953.db2.gz DQXGKYDMLWARJS-XQQFMLRXSA-N 1 0 325.413 -1.517 20 0 EAADRO CN1C[C@@H](C(=O)N2[C@H]3COC[C@@H]2CN(CC[NH+](C)C)C3)NC1=O ZINC001271692724 785729579 /nfs/dbraw/zinc/72/95/79/785729579.db2.gz YOGUMJTUYZTFCB-XQQFMLRXSA-N 1 0 325.413 -1.517 20 0 EAADRO CN1C[C@@H](C(=O)N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)NC1=O ZINC001271692728 785729874 /nfs/dbraw/zinc/72/98/74/785729874.db2.gz YPJOAWZVTQJYMB-XQQFMLRXSA-N 1 0 325.413 -1.517 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1C[NH2+]CCOCCO ZINC001271705785 785729630 /nfs/dbraw/zinc/72/96/30/785729630.db2.gz RMFVWDMMRVBWHB-CHWSQXEVSA-N 1 0 326.401 -1.101 20 0 EAADRO C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1C[NH2+]CCOCCO ZINC001271705786 785730062 /nfs/dbraw/zinc/73/00/62/785730062.db2.gz RMFVWDMMRVBWHB-OLZOCXBDSA-N 1 0 326.401 -1.101 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1C[NH2+]CCOCCO ZINC001271705787 785729518 /nfs/dbraw/zinc/72/95/18/785729518.db2.gz RMFVWDMMRVBWHB-QWHCGFSZSA-N 1 0 326.401 -1.101 20 0 EAADRO C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1C[NH2+]CCOCCO ZINC001271705788 785729952 /nfs/dbraw/zinc/72/99/52/785729952.db2.gz RMFVWDMMRVBWHB-STQMWFEESA-N 1 0 326.401 -1.101 20 0 EAADRO C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001271712847 785730490 /nfs/dbraw/zinc/73/04/90/785730490.db2.gz VGBIVZLURGYSLV-MNOVXSKESA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001271712848 785730646 /nfs/dbraw/zinc/73/06/46/785730646.db2.gz VGBIVZLURGYSLV-QWRGUYRKSA-N 1 0 339.396 -1.512 20 0 EAADRO C[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001271712849 785730656 /nfs/dbraw/zinc/73/06/56/785730656.db2.gz VGBIVZLURGYSLV-WDEREUQCSA-N 1 0 339.396 -1.512 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCO ZINC001271717028 785730502 /nfs/dbraw/zinc/73/05/02/785730502.db2.gz UFZANZZPGODBJD-AAEUAGOBSA-N 1 0 328.413 -1.552 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCO ZINC001271717029 785730419 /nfs/dbraw/zinc/73/04/19/785730419.db2.gz UFZANZZPGODBJD-DGCLKSJQSA-N 1 0 328.413 -1.552 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCO ZINC001271717030 785730570 /nfs/dbraw/zinc/73/05/70/785730570.db2.gz UFZANZZPGODBJD-WCQYABFASA-N 1 0 328.413 -1.552 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCO ZINC001271717031 785730660 /nfs/dbraw/zinc/73/06/60/785730660.db2.gz UFZANZZPGODBJD-YPMHNXCESA-N 1 0 328.413 -1.552 20 0 EAADRO Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271736535 785731671 /nfs/dbraw/zinc/73/16/71/785731671.db2.gz QJBUZIYAZXZZAG-JTQLQIEISA-N 1 0 349.395 -1.546 20 0 EAADRO Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271736536 785731597 /nfs/dbraw/zinc/73/15/97/785731597.db2.gz QJBUZIYAZXZZAG-SNVBAGLBSA-N 1 0 349.395 -1.546 20 0 EAADRO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001271736777 785731625 /nfs/dbraw/zinc/73/16/25/785731625.db2.gz UOJPVZGMDPMMPF-JTQLQIEISA-N 1 0 336.396 -1.393 20 0 EAADRO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001271736778 785731663 /nfs/dbraw/zinc/73/16/63/785731663.db2.gz UOJPVZGMDPMMPF-SNVBAGLBSA-N 1 0 336.396 -1.393 20 0 EAADRO Cn1nnnc1NC(=O)C12CC(NC(=O)C3(O)CC[NH+](C)CC3)(C1)C2 ZINC001271736808 785731605 /nfs/dbraw/zinc/73/16/05/785731605.db2.gz UYCKAMFITZDQKS-UHFFFAOYSA-N 1 0 349.395 -1.356 20 0 EAADRO Cn1cnc([C@@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]2C(N)=O)c1 ZINC001271736810 785731679 /nfs/dbraw/zinc/73/16/79/785731679.db2.gz UYQOMFVJFKTVOM-VXGBXAGGSA-N 1 0 335.408 -1.096 20 0 EAADRO Cn1nnnc1NC(=O)[C@]12C[C@H]1CCN2C(=O)C1(O)CC[NH+](C)CC1 ZINC001271737009 785731787 /nfs/dbraw/zinc/73/17/87/785731787.db2.gz YHMBYHWIDYXGPG-BMIGLBTASA-N 1 0 349.395 -1.404 20 0 EAADRO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CCN2C(=O)C1(O)CC[NH+](C)CC1 ZINC001271737012 785731327 /nfs/dbraw/zinc/73/13/27/785731327.db2.gz YHMBYHWIDYXGPG-ZUZCIYMTSA-N 1 0 349.395 -1.404 20 0 EAADRO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271737091 785731305 /nfs/dbraw/zinc/73/13/05/785731305.db2.gz ZWKYBDAWGMGTOO-QMTHXVAHSA-N 1 0 349.395 -1.546 20 0 EAADRO CN(C)C(=O)c1nnc2n1CCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271737095 785731646 /nfs/dbraw/zinc/73/16/46/785731646.db2.gz ZXRNNRFXODWCQU-UHFFFAOYSA-N 1 0 336.396 -1.221 20 0 EAADRO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001271749888 785732237 /nfs/dbraw/zinc/73/22/37/785732237.db2.gz KUGWQFQYXJEEBB-WISYIIOYSA-N 1 0 336.392 -1.116 20 0 EAADRO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001271749889 785732837 /nfs/dbraw/zinc/73/28/37/785732837.db2.gz KUGWQFQYXJEEBB-YFKTTZPYSA-N 1 0 336.392 -1.116 20 0 EAADRO C[C@@H](C(=O)N1CCn2cc(C(=O)Nc3nnnn3C)nc2C1)[NH+](C)C ZINC001271774223 785733503 /nfs/dbraw/zinc/73/35/03/785733503.db2.gz CRIIWVPRSPTAGC-VIFPVBQESA-N 1 0 347.383 -1.049 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CC[C@@H](C(=O)Nc1nnnn1C)O2)[NH+](C)C ZINC001271774341 785733335 /nfs/dbraw/zinc/73/33/35/785733335.db2.gz DJAIPDLALLFWAS-UWVGGRQHSA-N 1 0 337.384 -1.141 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CC[C@H](C(=O)Nc1nnnn1C)O2)[NH+](C)C ZINC001271774342 785733679 /nfs/dbraw/zinc/73/36/79/785733679.db2.gz DJAIPDLALLFWAS-VHSXEESVSA-N 1 0 337.384 -1.141 20 0 EAADRO C[C@@H](C(=O)N1CCn2c(ncc2C(=O)Nc2nnnn2C)C1)[NH+](C)C ZINC001271775313 785733322 /nfs/dbraw/zinc/73/33/22/785733322.db2.gz JGZZKJOAGBXYQJ-VIFPVBQESA-N 1 0 347.383 -1.049 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]2C(C(=O)NCCn3ccnn3)=NO[C@@H]2C1)[NH+](C)C ZINC001271779742 785733441 /nfs/dbraw/zinc/73/34/41/785733441.db2.gz DZONHTRUMLHIIB-SDDRHHMPSA-N 1 0 349.395 -1.442 20 0 EAADRO C[C@@H](C(=O)N1CCn2c(nnc2C(=O)NCC2COC2)C1)[NH+](C)C ZINC001271779925 785733632 /nfs/dbraw/zinc/73/36/32/785733632.db2.gz HTSXQWJBAHJHFH-JTQLQIEISA-N 1 0 336.396 -1.053 20 0 EAADRO C[C@@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)NCCS(C)(=O)=O)C1)[NH+](C)C ZINC001271779956 785733139 /nfs/dbraw/zinc/73/31/39/785733139.db2.gz IZCJACFSXFOOQA-MISXGVKJSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H](C(=O)N1C[C@@H]2C(C(=O)NCC(=O)N(C)C)=NO[C@@H]2C1)[NH+](C)C ZINC001271780394 785733659 /nfs/dbraw/zinc/73/36/59/785733659.db2.gz QNBCEQMCMYCGJJ-GARJFASQSA-N 1 0 339.396 -1.646 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CC[C@H](C(=O)NCC(=O)N(C)C)O2)[NH+](C)C ZINC001271780543 785733862 /nfs/dbraw/zinc/73/38/62/785733862.db2.gz UJSTXXBOACIEKB-NWDGAFQWSA-N 1 0 340.424 -1.099 20 0 EAADRO C[C@@H](C(=O)N1CC2(C1)CC[C@@H](C(=O)NCC(=O)N(C)C)O2)[NH+](C)C ZINC001271780544 785733288 /nfs/dbraw/zinc/73/32/88/785733288.db2.gz UJSTXXBOACIEKB-RYUDHWBXSA-N 1 0 340.424 -1.099 20 0 EAADRO C[C@@H](C(=O)N1CC2(C[C@H]2C(=O)NCCS(C)(=O)=O)C1)[NH+](C)C ZINC001271780794 785733694 /nfs/dbraw/zinc/73/36/94/785733694.db2.gz XHOBTSBOCXLLIT-QWRGUYRKSA-N 1 0 331.438 -1.054 20 0 EAADRO C[C@@H](C(=O)N1CC2(C[C@@H]2C(=O)NCCS(C)(=O)=O)C1)[NH+](C)C ZINC001271780795 785733749 /nfs/dbraw/zinc/73/37/49/785733749.db2.gz XHOBTSBOCXLLIT-WDEREUQCSA-N 1 0 331.438 -1.054 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H](C1)O2 ZINC001271792982 785733802 /nfs/dbraw/zinc/73/38/02/785733802.db2.gz KYUPFRGLCPVTOA-BETUJISGSA-N 1 0 331.438 -1.496 20 0 EAADRO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C4CS(=O)(=O)C4)CC3)[C@H]2C1 ZINC001271793163 785733711 /nfs/dbraw/zinc/73/37/11/785733711.db2.gz NPZHLICWIQIALW-RYUDHWBXSA-N 1 0 341.433 -1.300 20 0 EAADRO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C4CS(=O)(=O)C4)CC3)[C@@H]2C1 ZINC001271793164 785733413 /nfs/dbraw/zinc/73/34/13/785733413.db2.gz NPZHLICWIQIALW-VXGBXAGGSA-N 1 0 341.433 -1.300 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001271793338 785733706 /nfs/dbraw/zinc/73/37/06/785733706.db2.gz PQFNZSDSDZRHHA-OLZOCXBDSA-N 1 0 331.438 -1.496 20 0 EAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 ZINC001271793339 785733225 /nfs/dbraw/zinc/73/32/25/785733225.db2.gz PQFNZSDSDZRHHA-STQMWFEESA-N 1 0 331.438 -1.496 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C1CS(=O)(=O)C1 ZINC001271793744 785734634 /nfs/dbraw/zinc/73/46/34/785734634.db2.gz YFCKBYWYSPMWRQ-BETUJISGSA-N 1 0 331.438 -1.496 20 0 EAADRO CN(C)S(=O)(=O)N1CC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001271803250 785734293 /nfs/dbraw/zinc/73/42/93/785734293.db2.gz ABQFUKHRXBHEEY-UHFFFAOYSA-N 1 0 346.453 -1.606 20 0 EAADRO CN(C)S(=O)(=O)N1CCC12CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271804773 785734373 /nfs/dbraw/zinc/73/43/73/785734373.db2.gz QMWQSNMXPCUJAH-UHFFFAOYSA-N 1 0 346.453 -1.464 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001271809473 785734813 /nfs/dbraw/zinc/73/48/13/785734813.db2.gz PINDLIURHHFPEX-CMPLNLGQSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001271809474 785734352 /nfs/dbraw/zinc/73/43/52/785734352.db2.gz PINDLIURHHFPEX-JQWIXIFHSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001271809475 785734269 /nfs/dbraw/zinc/73/42/69/785734269.db2.gz PINDLIURHHFPEX-PWSUYJOCSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001271809476 785734652 /nfs/dbraw/zinc/73/46/52/785734652.db2.gz PINDLIURHHFPEX-ZYHUDNBSSA-N 1 0 341.412 -1.207 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(Cc1ccccc1)C(=O)C(N)=O ZINC001271812296 785734610 /nfs/dbraw/zinc/73/46/10/785734610.db2.gz IVBZXXQCPNHZIJ-UHFFFAOYSA-N 1 0 335.364 -1.454 20 0 EAADRO CC(C)[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]CCN1C(=O)CNC1=O ZINC001271816246 785735718 /nfs/dbraw/zinc/73/57/18/785735718.db2.gz WUTYSRVZXMEFTH-JTQLQIEISA-N 1 0 348.425 -1.687 20 0 EAADRO CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]CCN1C(=O)CNC1=O ZINC001271816249 785736149 /nfs/dbraw/zinc/73/61/49/785736149.db2.gz WUTYSRVZXMEFTH-SNVBAGLBSA-N 1 0 348.425 -1.687 20 0 EAADRO CN1CC[NH+](CCCC(=O)N2CCn3c(nnc3C(N)=O)C2)CC1 ZINC001271818400 785735952 /nfs/dbraw/zinc/73/59/52/785735952.db2.gz DHAIGCJNEBSJLI-UHFFFAOYSA-N 1 0 335.412 -1.253 20 0 EAADRO CC(C)[C@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001271820303 785735549 /nfs/dbraw/zinc/73/55/49/785735549.db2.gz BJRRSBOQWHEDGH-NEPJUHHUSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001271820304 785735269 /nfs/dbraw/zinc/73/52/69/785735269.db2.gz BJRRSBOQWHEDGH-NWDGAFQWSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001271820305 785736169 /nfs/dbraw/zinc/73/61/69/785736169.db2.gz BJRRSBOQWHEDGH-RYUDHWBXSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001271820306 785735890 /nfs/dbraw/zinc/73/58/90/785735890.db2.gz BJRRSBOQWHEDGH-VXGBXAGGSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@H](CNC(=O)c1nccnc1N)[NH2+]CCNS(C)(=O)=O ZINC001271821986 785735944 /nfs/dbraw/zinc/73/59/44/785735944.db2.gz QPUQYHBRWNXAJP-JTQLQIEISA-N 1 0 344.441 -1.048 20 0 EAADRO CC(C)[C@@H](CNC(=O)c1nccnc1N)[NH2+]CCNS(C)(=O)=O ZINC001271821988 785736160 /nfs/dbraw/zinc/73/61/60/785736160.db2.gz QPUQYHBRWNXAJP-SNVBAGLBSA-N 1 0 344.441 -1.048 20 0 EAADRO CC(C)[C@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001271822795 785736024 /nfs/dbraw/zinc/73/60/24/785736024.db2.gz WSRHEUZNOPTWNN-JTQLQIEISA-N 1 0 327.385 -2.449 20 0 EAADRO CC(C)[C@@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001271822796 785735226 /nfs/dbraw/zinc/73/52/26/785735226.db2.gz WSRHEUZNOPTWNN-SNVBAGLBSA-N 1 0 327.385 -2.449 20 0 EAADRO NC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2C1 ZINC001271827422 785736081 /nfs/dbraw/zinc/73/60/81/785736081.db2.gz ZQDBCPUVWUQMLB-TXEJJXNPSA-N 1 0 333.348 -1.481 20 0 EAADRO CC(C)[C@H](CNC(=O)c1cnnn1C)[NH2+]CCNS(C)(=O)=O ZINC001271829422 785736168 /nfs/dbraw/zinc/73/61/68/785736168.db2.gz FMURCJGUKDNMKU-JTQLQIEISA-N 1 0 332.430 -1.292 20 0 EAADRO CC(C)[C@@H](CNC(=O)c1cnnn1C)[NH2+]CCNS(C)(=O)=O ZINC001271829423 785735829 /nfs/dbraw/zinc/73/58/29/785735829.db2.gz FMURCJGUKDNMKU-SNVBAGLBSA-N 1 0 332.430 -1.292 20 0 EAADRO CC(C)[C@@H](CNC(=O)c1cnn(C)c1N)[NH2+]CCNS(C)(=O)=O ZINC001271830187 785736154 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337.380 -1.902 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+](CCOCCO)C[C@@H]3C2)CC1 ZINC001271888017 785743588 /nfs/dbraw/zinc/74/35/88/785743588.db2.gz WVGYXBQDBOWWRY-BETUJISGSA-N 1 0 325.409 -1.088 20 0 EAADRO NC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001271892157 785744216 /nfs/dbraw/zinc/74/42/16/785744216.db2.gz PNKVSPDKCWGSHE-PHIMTYICSA-N 1 0 337.380 -1.806 20 0 EAADRO CC(C)[C@@H](CNC(=O)C(N)=O)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001271892872 785743567 /nfs/dbraw/zinc/74/35/67/785743567.db2.gz MBGPHBFBTLMYRS-NXEZZACHSA-N 1 0 329.401 -2.205 20 0 EAADRO CC(C)[C@H](CNC(=O)C(N)=O)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001271892877 785744004 /nfs/dbraw/zinc/74/40/04/785744004.db2.gz MBGPHBFBTLMYRS-UWVGGRQHSA-N 1 0 329.401 -2.205 20 0 EAADRO CC(C)[C@@H](CNC(=O)C(N)=O)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001271892879 785743426 /nfs/dbraw/zinc/74/34/26/785743426.db2.gz MBGPHBFBTLMYRS-VHSXEESVSA-N 1 0 329.401 -2.205 20 0 EAADRO 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349.439 -1.212 20 0 EAADRO COC(=O)NCC(=O)N(CCO)CC[NH2+]CC(=O)N1CCCC1 ZINC001272124526 785796902 /nfs/dbraw/zinc/79/69/02/785796902.db2.gz HOXINPKOZUEFBD-UHFFFAOYSA-N 1 0 330.385 -1.625 20 0 EAADRO O=C(c1cnsn1)N(CCO)CC[NH2+]CCN1C(=O)CCC1=O ZINC001272125304 785799321 /nfs/dbraw/zinc/79/93/21/785799321.db2.gz ZOABYTNHHUFWSW-UHFFFAOYSA-N 1 0 341.393 -1.289 20 0 EAADRO CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001272126064 785798812 /nfs/dbraw/zinc/79/88/12/785798812.db2.gz RZKDPDCCCMFVQV-JTQLQIEISA-N 1 0 328.369 -1.168 20 0 EAADRO CO[C@H](C)C[N@H+](C)CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001272126066 785798934 /nfs/dbraw/zinc/79/89/34/785798934.db2.gz RZKDPDCCCMFVQV-SNVBAGLBSA-N 1 0 328.369 -1.168 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1)N1CCOCC1 ZINC001272129239 785798505 /nfs/dbraw/zinc/79/85/05/785798505.db2.gz AXMJUUJAXAWNGA-GFCCVEGCSA-N 1 0 342.396 -2.466 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCCC1 ZINC001272129353 785798302 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CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)Cc1cnn(C)c1 ZINC001272130059 785798477 /nfs/dbraw/zinc/79/84/77/785798477.db2.gz ZPDLOMUQAKRJNF-UHFFFAOYSA-N 1 0 340.384 -2.171 20 0 EAADRO CN(CC[N@H+](C)CCCN1C(=O)CNC1=O)C(=O)c1cnn(C)n1 ZINC001272131744 785799018 /nfs/dbraw/zinc/79/90/18/785799018.db2.gz KNZUSKTYVNCEBZ-UHFFFAOYSA-N 1 0 337.384 -1.239 20 0 EAADRO C[C@@H]([NH2+]CCN(CCO)C(=O)CC(N)=O)C(=O)N1CCCCC1 ZINC001272136194 785798178 /nfs/dbraw/zinc/79/81/78/785798178.db2.gz JLZVWIBHNPLNOG-GFCCVEGCSA-N 1 0 328.413 -1.327 20 0 EAADRO C[C@H]([NH2+]CCN(CCO)C(=O)CC(N)=O)C(=O)N1CCCCC1 ZINC001272136195 785798426 /nfs/dbraw/zinc/79/84/26/785798426.db2.gz JLZVWIBHNPLNOG-LBPRGKRZSA-N 1 0 328.413 -1.327 20 0 EAADRO Cc1c(C(=O)N(CCO)CC[NH2+]CCN2CCNC2=O)nnn1C ZINC001272136275 785797930 /nfs/dbraw/zinc/79/79/30/785797930.db2.gz LUQRJCXLFNGIQH-UHFFFAOYSA-N 1 0 339.400 -1.827 20 0 EAADRO CN1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272136373 785798837 /nfs/dbraw/zinc/79/88/37/785798837.db2.gz 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IGBGCGHTBKPMCX-UHFFFAOYSA-N 1 0 341.412 -1.205 20 0 EAADRO CN(CCN(C)C(=O)CN1C(=O)CN(C)C1=O)Cc1cnnn1C ZINC001272164963 785802858 /nfs/dbraw/zinc/80/28/58/785802858.db2.gz JJJLPMXXOGOQBB-UHFFFAOYSA-N 1 0 337.384 -1.401 20 0 EAADRO CN(CCN(C)C(=O)CN1C(=O)CNC1=O)CC(=O)NC(C)(C)C ZINC001272165079 785803270 /nfs/dbraw/zinc/80/32/70/785803270.db2.gz NWQPVSUOFCRZOK-UHFFFAOYSA-N 1 0 341.412 -1.157 20 0 EAADRO CCN(C)C(=O)CN(C)CCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001272165232 785802372 /nfs/dbraw/zinc/80/23/72/785802372.db2.gz QKQLZSBSOLSLFF-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO CCN(C)C(=O)CN(C)CCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001272165233 785802595 /nfs/dbraw/zinc/80/25/95/785802595.db2.gz QKQLZSBSOLSLFF-NSHDSACASA-N 1 0 341.412 -1.157 20 0 EAADRO CN(CCN(C)[C@@H]1CCCN(C)C1=O)C(=O)CN1C(=O)CNC1=O ZINC001272165481 785802318 /nfs/dbraw/zinc/80/23/18/785802318.db2.gz XXHJBNFQUGCGAY-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO CN(CCN(C)[C@H]1CCCN(C)C1=O)C(=O)CN1C(=O)CNC1=O ZINC001272165482 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C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001272169348 785803312 /nfs/dbraw/zinc/80/33/12/785803312.db2.gz TURLGLQJMSYBLY-NEPJUHHUSA-N 1 0 339.396 -1.446 20 0 EAADRO C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001272169349 785803138 /nfs/dbraw/zinc/80/31/38/785803138.db2.gz TURLGLQJMSYBLY-NWDGAFQWSA-N 1 0 339.396 -1.446 20 0 EAADRO C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001272169350 785802360 /nfs/dbraw/zinc/80/23/60/785802360.db2.gz TURLGLQJMSYBLY-RYUDHWBXSA-N 1 0 339.396 -1.446 20 0 EAADRO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001272169351 785802159 /nfs/dbraw/zinc/80/21/59/785802159.db2.gz TURLGLQJMSYBLY-VXGBXAGGSA-N 1 0 339.396 -1.446 20 0 EAADRO Cc1cc(C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)cc(C)n1 ZINC001272173482 785802767 /nfs/dbraw/zinc/80/27/67/785802767.db2.gz BBDBOALOBWDWGT-UHFFFAOYSA-N 1 0 337.380 -1.083 20 0 EAADRO CCn1nncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001272173506 785803689 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C[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272174008 785804840 /nfs/dbraw/zinc/80/48/40/785804840.db2.gz IYFQKXWVNCBCMF-QWRGUYRKSA-N 1 0 340.380 -2.177 20 0 EAADRO C[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272174009 785804287 /nfs/dbraw/zinc/80/42/87/785804287.db2.gz IYFQKXWVNCBCMF-WDEREUQCSA-N 1 0 340.380 -2.177 20 0 EAADRO CCN1C[C@H](C(=O)N(CCO)CC[NH2+]Cc2cnnn2C)CC1=O ZINC001272174044 785803666 /nfs/dbraw/zinc/80/36/66/785803666.db2.gz JYCSPTOQEZLCPQ-GFCCVEGCSA-N 1 0 338.412 -1.406 20 0 EAADRO CCN1C[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cnnn2C)CC1=O ZINC001272174045 785804505 /nfs/dbraw/zinc/80/45/05/785804505.db2.gz JYCSPTOQEZLCPQ-LBPRGKRZSA-N 1 0 338.412 -1.406 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N(CCO)CC[NH2+]C/C=C/Cl)c1=O ZINC001272174659 785804311 /nfs/dbraw/zinc/80/43/11/785804311.db2.gz RNIHKCQGTMRQFF-DUXPYHPUSA-N 1 0 344.799 -1.290 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N(CCO)CC[NH2+]C/C=C\Cl)c1=O ZINC001272174661 785804091 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CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ncccc1NC(C)=O ZINC001272180901 785804705 /nfs/dbraw/zinc/80/47/05/785804705.db2.gz CGUDRVSLMISCNP-UHFFFAOYSA-N 1 0 337.380 -1.190 20 0 EAADRO Cn1nccc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001272181280 785804755 /nfs/dbraw/zinc/80/47/55/785804755.db2.gz DVLPTCCSGWYSOD-NSHDSACASA-N 1 0 338.368 -2.071 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N(CCO)CC[NH2+]CCC(F)(F)F ZINC001272181453 785803561 /nfs/dbraw/zinc/80/35/61/785803561.db2.gz GXBXGPNAOGAXRL-QMMMGPOBSA-N 1 0 340.302 -1.053 20 0 EAADRO C[C@@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)n1nnnc1C(C)(C)C ZINC001272182511 785804452 /nfs/dbraw/zinc/80/44/52/785804452.db2.gz QAMMGRPVZFKVBW-JTQLQIEISA-N 1 0 341.416 -1.573 20 0 EAADRO C[C@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)n1nnnc1C(C)(C)C ZINC001272182532 785803885 /nfs/dbraw/zinc/80/38/85/785803885.db2.gz QAMMGRPVZFKVBW-SNVBAGLBSA-N 1 0 341.416 -1.573 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001272182574 785804416 /nfs/dbraw/zinc/80/44/16/785804416.db2.gz 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CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1c(C)ncn1C ZINC001272189127 785803764 /nfs/dbraw/zinc/80/37/64/785803764.db2.gz DMGDHBRDVYYWLK-UHFFFAOYSA-N 1 0 340.384 -1.792 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001272189253 785806485 /nfs/dbraw/zinc/80/64/85/785806485.db2.gz GJUPAXKPJOPKCF-LLVKDONJSA-N 1 0 335.426 -2.032 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001272189258 785807015 /nfs/dbraw/zinc/80/70/15/785807015.db2.gz GJUPAXKPJOPKCF-NSHDSACASA-N 1 0 335.426 -2.032 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001272189547 785806319 /nfs/dbraw/zinc/80/63/19/785806319.db2.gz JLYKNGICPFDCOA-GFCCVEGCSA-N 1 0 342.440 -1.020 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001272189759 785806696 /nfs/dbraw/zinc/80/66/96/785806696.db2.gz LGQGLBDTTMBJHE-CYBMUJFWSA-N 1 0 342.440 -1.068 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)c1cnc[nH]c1=O ZINC001272190622 785806583 /nfs/dbraw/zinc/80/65/83/785806583.db2.gz 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CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001272194938 785808545 /nfs/dbraw/zinc/80/85/45/785808545.db2.gz ABUKYXWPRNWKPV-CYBMUJFWSA-N 1 0 342.440 -1.256 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001272194939 785808496 /nfs/dbraw/zinc/80/84/96/785808496.db2.gz ABUKYXWPRNWKPV-ZDUSSCGKSA-N 1 0 342.440 -1.256 20 0 EAADRO CO[C@@H]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001272195307 785808117 /nfs/dbraw/zinc/80/81/17/785808117.db2.gz DLDBPZGCESAZEW-GHMZBOCLSA-N 1 0 330.385 -1.593 20 0 EAADRO CO[C@H]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001272195308 785807894 /nfs/dbraw/zinc/80/78/94/785807894.db2.gz DLDBPZGCESAZEW-MNOVXSKESA-N 1 0 330.385 -1.593 20 0 EAADRO CO[C@H]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001272195310 785807634 /nfs/dbraw/zinc/80/76/34/785807634.db2.gz DLDBPZGCESAZEW-QWRGUYRKSA-N 1 0 330.385 -1.593 20 0 EAADRO CO[C@@H]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001272195311 785807481 /nfs/dbraw/zinc/80/74/81/785807481.db2.gz DLDBPZGCESAZEW-WDEREUQCSA-N 1 0 330.385 -1.593 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001272196233 785809457 /nfs/dbraw/zinc/80/94/57/785809457.db2.gz KBPLWEIQTHUIEQ-GFCCVEGCSA-N 1 0 328.413 -1.599 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001272196239 785809694 /nfs/dbraw/zinc/80/96/94/785809694.db2.gz KBPLWEIQTHUIEQ-LBPRGKRZSA-N 1 0 328.413 -1.599 20 0 EAADRO CS(=O)(=O)CCC(=O)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001272196312 785809399 /nfs/dbraw/zinc/80/93/99/785809399.db2.gz KLMSLFYQLAXCIZ-JTQLQIEISA-N 1 0 349.409 -2.363 20 0 EAADRO CS(=O)(=O)CCC(=O)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272196318 785809716 /nfs/dbraw/zinc/80/97/16/785809716.db2.gz KLMSLFYQLAXCIZ-SNVBAGLBSA-N 1 0 349.409 -2.363 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CC[NH2+]CCn2cncn2)CC1=O ZINC001272196585 785809272 /nfs/dbraw/zinc/80/92/72/785809272.db2.gz MSKNGTDKYVTZPP-CYBMUJFWSA-N 1 0 338.412 -1.443 20 0 EAADRO 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CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001272224981 785819210 /nfs/dbraw/zinc/81/92/10/785819210.db2.gz KHOCJTWYWDEZNS-LBPRGKRZSA-N 1 0 343.428 -1.713 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001272225409 785819979 /nfs/dbraw/zinc/81/99/79/785819979.db2.gz CWNXKJAYHISODW-QLFBSQMISA-N 1 0 342.440 -1.653 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001272225410 785819149 /nfs/dbraw/zinc/81/91/49/785819149.db2.gz CWNXKJAYHISODW-ZNMIVQPWSA-N 1 0 342.440 -1.653 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CN(CC(=O)N(C)C)C[C@H]21 ZINC001272225501 785821015 /nfs/dbraw/zinc/82/10/15/785821015.db2.gz FTKRQXJQTWBOAO-MELADBBJSA-N 1 0 340.424 -1.506 20 0 EAADRO CN1C[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(C)(C)C)NC1=O ZINC001272225641 785820254 /nfs/dbraw/zinc/82/02/54/785820254.db2.gz PIIJVRUTQRNBBN-LLVKDONJSA-N 1 0 343.428 -1.665 20 0 EAADRO CN1C[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(C)(C)C)NC1=O ZINC001272225642 785821120 /nfs/dbraw/zinc/82/11/20/785821120.db2.gz PIIJVRUTQRNBBN-NSHDSACASA-N 1 0 343.428 -1.665 20 0 EAADRO CN1C[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCCOC2)NC1=O ZINC001272225788 785821699 /nfs/dbraw/zinc/82/16/99/785821699.db2.gz QULMSHSRMHPSCE-CHWSQXEVSA-N 1 0 328.413 -1.153 20 0 EAADRO CN1C[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCCOC2)NC1=O ZINC001272225789 785821283 /nfs/dbraw/zinc/82/12/83/785821283.db2.gz QULMSHSRMHPSCE-OLZOCXBDSA-N 1 0 328.413 -1.153 20 0 EAADRO CN1C[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCCOC2)NC1=O ZINC001272225790 785820916 /nfs/dbraw/zinc/82/09/16/785820916.db2.gz QULMSHSRMHPSCE-QWHCGFSZSA-N 1 0 328.413 -1.153 20 0 EAADRO CN1C[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCCOC2)NC1=O ZINC001272225791 785820661 /nfs/dbraw/zinc/82/06/61/785820661.db2.gz QULMSHSRMHPSCE-STQMWFEESA-N 1 0 328.413 -1.153 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001272225881 785821604 /nfs/dbraw/zinc/82/16/04/785821604.db2.gz IIQVZXLBMDWTNT-QLFBSQMISA-N 1 0 342.440 -1.653 20 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/nfs/dbraw/zinc/82/03/62/785820362.db2.gz UGKAPTFRSWXWIF-LLVKDONJSA-N 1 0 325.373 -2.288 20 0 EAADRO CN1C[C@@H](C(=O)N(CCO)CC[NH2+]CCn2cncn2)NC1=O ZINC001272226167 785821160 /nfs/dbraw/zinc/82/11/60/785821160.db2.gz UGKAPTFRSWXWIF-NSHDSACASA-N 1 0 325.373 -2.288 20 0 EAADRO CN(C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001272226288 785821592 /nfs/dbraw/zinc/82/15/92/785821592.db2.gz VILDEVOOXDSLRA-GFCCVEGCSA-N 1 0 326.397 -1.846 20 0 EAADRO CN(C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCNC1=O)C1CC1 ZINC001272226289 785820899 /nfs/dbraw/zinc/82/08/99/785820899.db2.gz VILDEVOOXDSLRA-LBPRGKRZSA-N 1 0 326.397 -1.846 20 0 EAADRO Cc1nnsc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001272226418 785820374 /nfs/dbraw/zinc/82/03/74/785820374.db2.gz VKVHZLQMADBURE-JTQLQIEISA-N 1 0 327.410 -1.107 20 0 EAADRO Cc1nnsc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001272226421 785820950 /nfs/dbraw/zinc/82/09/50/785820950.db2.gz VKVHZLQMADBURE-SNVBAGLBSA-N 1 0 327.410 -1.107 20 0 EAADRO Cc1n[nH]nc1C(=O)N(CCO)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001272226555 785821100 /nfs/dbraw/zinc/82/11/00/785821100.db2.gz WQIYRSAGJMUTBX-LLVKDONJSA-N 1 0 334.384 -1.084 20 0 EAADRO Cc1n[nH]nc1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001272226556 785820722 /nfs/dbraw/zinc/82/07/22/785820722.db2.gz WQIYRSAGJMUTBX-NSHDSACASA-N 1 0 334.384 -1.084 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1C ZINC001272226621 785820820 /nfs/dbraw/zinc/82/08/20/785820820.db2.gz YFGVDDKVKQCIRU-ZDUSSCGKSA-N 1 0 342.440 -1.116 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001272226653 785821688 /nfs/dbraw/zinc/82/16/88/785821688.db2.gz MQFAOZLRWATYKY-ILXRZTDVSA-N 1 0 342.440 -1.653 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001272226654 785820183 /nfs/dbraw/zinc/82/01/83/785820183.db2.gz MQFAOZLRWATYKY-KFWWJZLASA-N 1 0 342.440 -1.653 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001272226655 785820621 /nfs/dbraw/zinc/82/06/21/785820621.db2.gz MQFAOZLRWATYKY-KKUMJFAQSA-N 1 0 342.440 -1.653 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001272226656 785821004 /nfs/dbraw/zinc/82/10/04/785821004.db2.gz MQFAOZLRWATYKY-ZNMIVQPWSA-N 1 0 342.440 -1.653 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001272226672 785820858 /nfs/dbraw/zinc/82/08/58/785820858.db2.gz MZWQWUXHOKEOJF-AWEZNQCLSA-N 1 0 335.408 -1.086 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001272226673 785821369 /nfs/dbraw/zinc/82/13/69/785821369.db2.gz MZWQWUXHOKEOJF-CQSZACIVSA-N 1 0 335.408 -1.086 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272226708 785820529 /nfs/dbraw/zinc/82/05/29/785820529.db2.gz NLAVAVDSZBYUNM-BBRMVZONSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272226710 785821071 /nfs/dbraw/zinc/82/10/71/785821071.db2.gz NLAVAVDSZBYUNM-CJNGLKHVSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001272226713 785820285 /nfs/dbraw/zinc/82/02/85/785820285.db2.gz NLAVAVDSZBYUNM-CZUORRHYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001272226714 785821249 /nfs/dbraw/zinc/82/12/49/785821249.db2.gz NLAVAVDSZBYUNM-XJKSGUPXSA-N 1 0 340.424 -1.314 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)C1(n2cnnn2)CCCCC1 ZINC001272226773 785821642 /nfs/dbraw/zinc/82/16/42/785821642.db2.gz ZROFGTHZJAFDPY-UHFFFAOYSA-N 1 0 339.400 -1.772 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001272227366 785822993 /nfs/dbraw/zinc/82/29/93/785822993.db2.gz UTWDDKDBKFNLGJ-CYBMUJFWSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001272227368 785822354 /nfs/dbraw/zinc/82/23/54/785822354.db2.gz UTWDDKDBKFNLGJ-ZDUSSCGKSA-N 1 0 340.424 -1.504 20 0 EAADRO CC(=O)N[C@@H](CCO)C(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001272227549 785822154 /nfs/dbraw/zinc/82/21/54/785822154.db2.gz WTFSEYYCUZENGY-AWEZNQCLSA-N 1 0 326.441 -1.031 20 0 EAADRO CC(=O)N[C@H](CCO)C(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001272227551 785822014 /nfs/dbraw/zinc/82/20/14/785822014.db2.gz WTFSEYYCUZENGY-CQSZACIVSA-N 1 0 326.441 -1.031 20 0 EAADRO CCn1nncc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1C ZINC001272233338 785826227 /nfs/dbraw/zinc/82/62/27/785826227.db2.gz AFTBMTOOCNFLJO-CYBMUJFWSA-N 1 0 338.412 -1.171 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N(CCO)CC[NH2+]CCN1CCCC1=O ZINC001272233613 785827326 /nfs/dbraw/zinc/82/73/26/785827326.db2.gz CNMUWYJSZYTHCF-ZDUSSCGKSA-N 1 0 340.424 -1.360 20 0 EAADRO Cn1nncc1C[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001272233651 785827559 /nfs/dbraw/zinc/82/75/59/785827559.db2.gz CWTHMLJWBPWXRE-HNNXBMFYSA-N 1 0 338.412 -1.358 20 0 EAADRO Cn1nncc1C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001272233654 785827474 /nfs/dbraw/zinc/82/74/74/785827474.db2.gz CWTHMLJWBPWXRE-OAHLLOKOSA-N 1 0 338.412 -1.358 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001272233693 785826961 /nfs/dbraw/zinc/82/69/61/785826961.db2.gz DHVNWUDJAAUDQG-JTQLQIEISA-N 1 0 343.384 -2.669 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001272234101 785826600 /nfs/dbraw/zinc/82/66/00/785826600.db2.gz DHVNWUDJAAUDQG-SNVBAGLBSA-N 1 0 343.384 -2.669 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1ccon1 ZINC001272234133 785827050 /nfs/dbraw/zinc/82/70/50/785827050.db2.gz DXVDOCDQIZAFJV-YABSGUDNSA-N 1 0 338.364 -1.084 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CC[NH2+]CCn2cc(Cl)cn2)n1 ZINC001272234150 785826916 /nfs/dbraw/zinc/82/69/16/785826916.db2.gz FDYFGCOOLGSVJE-UHFFFAOYSA-N 1 0 342.791 -1.216 20 0 EAADRO CC(C)(C)N1CCC[C@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)C1=O ZINC001272234229 785826810 /nfs/dbraw/zinc/82/68/10/785826810.db2.gz GBEQNWMEDLNAHN-GFCCVEGCSA-N 1 0 342.440 -1.081 20 0 EAADRO CC(C)(C)N1CCC[C@@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)C1=O ZINC001272234232 785826054 /nfs/dbraw/zinc/82/60/54/785826054.db2.gz GBEQNWMEDLNAHN-LBPRGKRZSA-N 1 0 342.440 -1.081 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CC[NH2+]CC(=O)Nc2ccccc2)n1 ZINC001272234272 785826208 /nfs/dbraw/zinc/82/62/08/785826208.db2.gz GJXSGXAYFLTKPU-UHFFFAOYSA-N 1 0 347.379 -1.127 20 0 EAADRO COc1cc(C[NH2+]CCN(CCO)C(=O)c2nnn(C)n2)ccn1 ZINC001272234777 785826249 /nfs/dbraw/zinc/82/62/49/785826249.db2.gz JASQJTKIFWCOHX-UHFFFAOYSA-N 1 0 335.368 -1.162 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001272234844 785826756 /nfs/dbraw/zinc/82/67/56/785826756.db2.gz MCPIHIQFNOFPLR-NEPJUHHUSA-N 1 0 344.441 -1.018 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cnnn1 ZINC001272234845 785827273 /nfs/dbraw/zinc/82/72/73/785827273.db2.gz MCPIHIQFNOFPLR-NWDGAFQWSA-N 1 0 344.441 -1.018 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001272234848 785826945 /nfs/dbraw/zinc/82/69/45/785826945.db2.gz MCPIHIQFNOFPLR-RYUDHWBXSA-N 1 0 344.441 -1.018 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cnnn1 ZINC001272234850 785827096 /nfs/dbraw/zinc/82/70/96/785827096.db2.gz MCPIHIQFNOFPLR-VXGBXAGGSA-N 1 0 344.441 -1.018 20 0 EAADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N(CCO)CC[NH2+]CCN1C(=O)CCC1=O ZINC001272235638 785828221 /nfs/dbraw/zinc/82/82/21/785828221.db2.gz OLAPSFQKYWGAIW-JYAVWHMHSA-N 1 0 339.392 -1.562 20 0 EAADRO CN(C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCN(C)C1=O)C1CC1 ZINC001272235993 785828813 /nfs/dbraw/zinc/82/88/13/785828813.db2.gz SVBZPMFXWDJGGZ-CYBMUJFWSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCN(C)C1=O)C1CC1 ZINC001272235994 785828417 /nfs/dbraw/zinc/82/84/17/785828417.db2.gz SVBZPMFXWDJGGZ-ZDUSSCGKSA-N 1 0 340.424 -1.504 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCN(CCO)C(=O)c1csc(=O)[nH]1 ZINC001272236152 785827809 /nfs/dbraw/zinc/82/78/09/785827809.db2.gz UVUKCKOBFWRYGP-UHFFFAOYSA-N 1 0 337.423 -1.083 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)c1c(C)nc[nH]c1=O ZINC001272236462 785828924 /nfs/dbraw/zinc/82/89/24/785828924.db2.gz WMEZOYMPBDNPRO-UHFFFAOYSA-N 1 0 339.396 -1.007 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001272236496 785828978 /nfs/dbraw/zinc/82/89/78/785828978.db2.gz XYUGXPZFYVEEHU-HNNXBMFYSA-N 1 0 328.413 -1.599 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001272236497 785829094 /nfs/dbraw/zinc/82/90/94/785829094.db2.gz XYUGXPZFYVEEHU-OAHLLOKOSA-N 1 0 328.413 -1.599 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001272237203 785827828 /nfs/dbraw/zinc/82/78/28/785827828.db2.gz YMAIIRYDNMWWTP-NEPJUHHUSA-N 1 0 334.442 -1.454 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001272237205 785828591 /nfs/dbraw/zinc/82/85/91/785828591.db2.gz YMAIIRYDNMWWTP-NWDGAFQWSA-N 1 0 334.442 -1.454 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001272237207 785827865 /nfs/dbraw/zinc/82/78/65/785827865.db2.gz YMAIIRYDNMWWTP-RYUDHWBXSA-N 1 0 334.442 -1.454 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001272237209 785828067 /nfs/dbraw/zinc/82/80/67/785828067.db2.gz YMAIIRYDNMWWTP-VXGBXAGGSA-N 1 0 334.442 -1.454 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1ccnc(=O)[nH]1)C2 ZINC001272239876 785828336 /nfs/dbraw/zinc/82/83/36/785828336.db2.gz DPXDQAQAOPUTRM-UHFFFAOYSA-N 1 0 335.364 -1.203 20 0 EAADRO C[NH+](C)CCN1C[C@]2(CCN(C(=O)c3ncc[nH]c3=O)C2)OCC1=O ZINC001272240012 785829068 /nfs/dbraw/zinc/82/90/68/785829068.db2.gz FKMKVHXXZXBTKQ-INIZCTEOSA-N 1 0 349.391 -1.225 20 0 EAADRO C[NH+](C)CCN1C[C@@]2(CCN(C(=O)c3ncc[nH]c3=O)C2)OCC1=O ZINC001272240016 785829167 /nfs/dbraw/zinc/82/91/67/785829167.db2.gz FKMKVHXXZXBTKQ-MRXNPFEDSA-N 1 0 349.391 -1.225 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3ccnc(=O)[nH]3)C2)OCC1=O ZINC001272241617 785830564 /nfs/dbraw/zinc/83/05/64/785830564.db2.gz SQKNNHFFVOGAIY-UHFFFAOYSA-N 1 0 335.364 -1.203 20 0 EAADRO CCn1nncc1C[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001272242160 785829476 /nfs/dbraw/zinc/82/94/76/785829476.db2.gz CWSQXZKCNIWYNJ-UHFFFAOYSA-N 1 0 335.368 -1.394 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1ncc[nH]c1=O)C2 ZINC001272242197 785829892 /nfs/dbraw/zinc/82/98/92/785829892.db2.gz XPIYLOPIDZNSSM-UHFFFAOYSA-N 1 0 335.364 -1.615 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]CC(=O)N1CCCc2ccccc21 ZINC001272242224 785830354 /nfs/dbraw/zinc/83/03/54/785830354.db2.gz DYJTWMRBLDSYFK-UHFFFAOYSA-N 1 0 348.403 -1.138 20 0 EAADRO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001272242290 785830628 /nfs/dbraw/zinc/83/06/28/785830628.db2.gz FVWUFJKVWCNNIW-LLVKDONJSA-N 1 0 338.368 -1.923 20 0 EAADRO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001272242292 785830687 /nfs/dbraw/zinc/83/06/87/785830687.db2.gz FVWUFJKVWCNNIW-NSHDSACASA-N 1 0 338.368 -1.923 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3ncc[nH]c3=O)C2)OCC1=O ZINC001272242338 785829699 /nfs/dbraw/zinc/82/96/99/785829699.db2.gz ZKWDYCCZYXFKEA-UHFFFAOYSA-N 1 0 335.364 -1.615 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)c1ccnc2c1nnn2C ZINC001272242718 785830307 /nfs/dbraw/zinc/83/03/07/785830307.db2.gz JMYAUQIDAXKMPT-UHFFFAOYSA-N 1 0 349.395 -1.524 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001272242734 785830206 /nfs/dbraw/zinc/83/02/06/785830206.db2.gz JYUXREWDJIYUBH-GHMZBOCLSA-N 1 0 332.376 -1.009 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H](F)C1 ZINC001272242736 785830611 /nfs/dbraw/zinc/83/06/11/785830611.db2.gz JYUXREWDJIYUBH-MNOVXSKESA-N 1 0 332.376 -1.009 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H](F)C1 ZINC001272242738 785829673 /nfs/dbraw/zinc/82/96/73/785829673.db2.gz JYUXREWDJIYUBH-QWRGUYRKSA-N 1 0 332.376 -1.009 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H](F)C1 ZINC001272242742 785829506 /nfs/dbraw/zinc/82/95/06/785829506.db2.gz JYUXREWDJIYUBH-WDEREUQCSA-N 1 0 332.376 -1.009 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N(CCO)CCNCc2nnn(C)n2)CC[N@@H+]1C ZINC001272242762 785829845 /nfs/dbraw/zinc/82/98/45/785829845.db2.gz KHDRPGXUMDZDRX-STQMWFEESA-N 1 0 339.444 -1.149 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]CC(=O)Nc1cccc(F)c1 ZINC001272242778 785830335 /nfs/dbraw/zinc/83/03/35/785830335.db2.gz KQQYDYRADYJBCD-UHFFFAOYSA-N 1 0 326.328 -1.340 20 0 EAADRO Cn1ccc(C[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)cc1=O ZINC001272243008 785830224 /nfs/dbraw/zinc/83/02/24/785830224.db2.gz OYFGUXLUILJBKV-UHFFFAOYSA-N 1 0 336.392 -1.439 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1)NC1CCCC1 ZINC001272243176 785830176 /nfs/dbraw/zinc/83/01/76/785830176.db2.gz QNDRKDNZWOTENN-GFCCVEGCSA-N 1 0 341.412 -1.863 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1)NC1CCCC1 ZINC001272243177 785830500 /nfs/dbraw/zinc/83/05/00/785830500.db2.gz QNDRKDNZWOTENN-LBPRGKRZSA-N 1 0 341.412 -1.863 20 0 EAADRO COc1nccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001272243257 785829789 /nfs/dbraw/zinc/82/97/89/785829789.db2.gz RJTFTVBXTRODES-LLVKDONJSA-N 1 0 338.368 -1.923 20 0 EAADRO COc1nccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001272243260 785829528 /nfs/dbraw/zinc/82/95/28/785829528.db2.gz RJTFTVBXTRODES-NSHDSACASA-N 1 0 338.368 -1.923 20 0 EAADRO Cc1ncccc1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001272243484 785830109 /nfs/dbraw/zinc/83/01/09/785830109.db2.gz SZOFSDIIIWNGON-UHFFFAOYSA-N 1 0 349.391 -1.034 20 0 EAADRO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CNC(=O)N2)cn1 ZINC001272243603 785829349 /nfs/dbraw/zinc/82/93/49/785829349.db2.gz USXKGKBFUKNRHH-GFCCVEGCSA-N 1 0 337.380 -1.318 20 0 EAADRO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001272243605 785829946 /nfs/dbraw/zinc/82/99/46/785829946.db2.gz USXKGKBFUKNRHH-LBPRGKRZSA-N 1 0 337.380 -1.318 20 0 EAADRO CC[C@@H]1CCCCN1C(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001272243647 785830263 /nfs/dbraw/zinc/83/02/63/785830263.db2.gz VLVIXWDJJUNYQE-GFCCVEGCSA-N 1 0 328.413 -1.327 20 0 EAADRO CC[C@H]1CCCCN1C(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001272243648 785830597 /nfs/dbraw/zinc/83/05/97/785830597.db2.gz VLVIXWDJJUNYQE-LBPRGKRZSA-N 1 0 328.413 -1.327 20 0 EAADRO CC(C)(C)n1nnc(CC[NH2+]CCN(CCO)C(=O)C(N)=O)n1 ZINC001272243653 785829639 /nfs/dbraw/zinc/82/96/39/785829639.db2.gz VMRGLEKKOFWRCJ-UHFFFAOYSA-N 1 0 327.389 -2.134 20 0 EAADRO CS(=O)(=O)c1ccc(C[NH2+]CCN(CCO)C(=O)C(N)=O)cc1 ZINC001272244017 785830581 /nfs/dbraw/zinc/83/05/81/785830581.db2.gz YQDZCZXYNVOZQK-UHFFFAOYSA-N 1 0 343.405 -1.514 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]CC(=O)NCc1cccs1 ZINC001272244034 785830669 /nfs/dbraw/zinc/83/06/69/785830669.db2.gz YWWZWOXYMAFPBZ-UHFFFAOYSA-N 1 0 328.394 -1.740 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3cn[nH]c(=O)c3)C2)OCC1=O ZINC001272249328 785829963 /nfs/dbraw/zinc/82/99/63/785829963.db2.gz IXFRJNGPQKITDR-UHFFFAOYSA-N 1 0 335.364 -1.203 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1cn[nH]c(=O)c1)C2 ZINC001272250071 785830985 /nfs/dbraw/zinc/83/09/85/785830985.db2.gz QPCLUZBQVRORLR-UHFFFAOYSA-N 1 0 335.364 -1.203 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC001272250782 785832311 /nfs/dbraw/zinc/83/23/11/785832311.db2.gz FVWVQTHDEYFUDW-GFCCVEGCSA-N 1 0 331.319 -1.106 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC001272250785 785832239 /nfs/dbraw/zinc/83/22/39/785832239.db2.gz FVWVQTHDEYFUDW-LBPRGKRZSA-N 1 0 331.319 -1.106 20 0 EAADRO C[C@@]1(C(=O)N(CCO)CC[NH2+]CC(=O)N2CCCC2)CCC(=O)N1 ZINC001272250814 785832222 /nfs/dbraw/zinc/83/22/22/785832222.db2.gz GBGCGGQFRAIFSF-INIZCTEOSA-N 1 0 340.424 -1.312 20 0 EAADRO CN(C(=O)C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001272251255 785831121 /nfs/dbraw/zinc/83/11/21/785831121.db2.gz ICBSXKHFCZUKHN-INIZCTEOSA-N 1 0 340.424 -1.314 20 0 EAADRO Cc1ccc(NC(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O)c(F)c1 ZINC001272251851 785832124 /nfs/dbraw/zinc/83/21/24/785832124.db2.gz LQBNRQQMVYKSFP-UHFFFAOYSA-N 1 0 340.355 -1.032 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1n[nH]cc1F ZINC001272252468 785831334 /nfs/dbraw/zinc/83/13/34/785831334.db2.gz RQVHZJFGVGTEBI-UHFFFAOYSA-N 1 0 330.320 -1.972 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 ZINC001272252741 785832181 /nfs/dbraw/zinc/83/21/81/785832181.db2.gz TZBXSWGRBUAOKU-HNNXBMFYSA-N 1 0 328.413 -1.410 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001272253971 785831021 /nfs/dbraw/zinc/83/10/21/785831021.db2.gz TWEIDQRCPDNYNB-GHMZBOCLSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001272253972 785831226 /nfs/dbraw/zinc/83/12/26/785831226.db2.gz TWEIDQRCPDNYNB-MNOVXSKESA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001272253973 785832453 /nfs/dbraw/zinc/83/24/53/785832453.db2.gz TWEIDQRCPDNYNB-QWRGUYRKSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001272253974 785831219 /nfs/dbraw/zinc/83/12/19/785831219.db2.gz TWEIDQRCPDNYNB-WDEREUQCSA-N 1 0 339.396 -1.322 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272254217 785831307 /nfs/dbraw/zinc/83/13/07/785831307.db2.gz VYXPNZYTLVWWTI-GHMZBOCLSA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272254218 785831457 /nfs/dbraw/zinc/83/14/57/785831457.db2.gz VYXPNZYTLVWWTI-MNOVXSKESA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272254219 785831849 /nfs/dbraw/zinc/83/18/49/785831849.db2.gz VYXPNZYTLVWWTI-QWRGUYRKSA-N 1 0 339.396 -2.305 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272254220 785831782 /nfs/dbraw/zinc/83/17/82/785831782.db2.gz VYXPNZYTLVWWTI-WDEREUQCSA-N 1 0 339.396 -2.305 20 0 EAADRO O=C([C@@H]1CCc2nnnn2CC1)N(CCO)CC[NH2+]CCCO ZINC001272258109 785835166 /nfs/dbraw/zinc/83/51/66/785835166.db2.gz DETCDHVDVQWNDN-GFCCVEGCSA-N 1 0 326.401 -1.582 20 0 EAADRO O=C([C@H]1CCc2nnnn2CC1)N(CCO)CC[NH2+]CCCO ZINC001272258114 785835087 /nfs/dbraw/zinc/83/50/87/785835087.db2.gz DETCDHVDVQWNDN-LBPRGKRZSA-N 1 0 326.401 -1.582 20 0 EAADRO Cc1nocc1C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001272258558 785835856 /nfs/dbraw/zinc/83/58/56/785835856.db2.gz PJYYFUWSOOJOGA-QWHCGFSZSA-N 1 0 340.380 -1.074 20 0 EAADRO Cn1cc(C(=O)N(CCO)CC[NH2+]CC(N)=O)c(C(F)(F)F)n1 ZINC001272264470 785837438 /nfs/dbraw/zinc/83/74/38/785837438.db2.gz CZSAUDZGNGLTID-UHFFFAOYSA-N 1 0 337.302 -1.052 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCC[C@@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001272265349 785838816 /nfs/dbraw/zinc/83/88/16/785838816.db2.gz ZXHMZVGJGKBSKG-NEPJUHHUSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCC[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001272265351 785838998 /nfs/dbraw/zinc/83/89/98/785838998.db2.gz ZXHMZVGJGKBSKG-NWDGAFQWSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N[C@H]1CCC[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001272265352 785838750 /nfs/dbraw/zinc/83/87/50/785838750.db2.gz ZXHMZVGJGKBSKG-RYUDHWBXSA-N 1 0 349.395 -1.303 20 0 EAADRO O=C(Cn1ncnn1)N[C@@H]1CCC[C@@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001272265354 785837969 /nfs/dbraw/zinc/83/79/69/785837969.db2.gz ZXHMZVGJGKBSKG-VXGBXAGGSA-N 1 0 349.395 -1.303 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001272265482 785838251 /nfs/dbraw/zinc/83/82/51/785838251.db2.gz QLVWPSDNMDBHEK-GHMZBOCLSA-N 1 0 338.364 -1.012 20 0 EAADRO O=C(c1ccnnc1)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001272265804 785838704 /nfs/dbraw/zinc/83/87/04/785838704.db2.gz XKTJUSPBBRVROZ-UHFFFAOYSA-N 1 0 336.352 -1.948 20 0 EAADRO Cc1c[nH]c(C(=O)N(CCO)CC[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001272270394 785870668 /nfs/dbraw/zinc/87/06/68/785870668.db2.gz AJBQKMSFIPUUBI-UHFFFAOYSA-N 1 0 338.368 -1.706 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N(CCO)CC[NH2+]Cc1cncs1 ZINC001272270418 785870640 /nfs/dbraw/zinc/87/06/40/785870640.db2.gz AXLGAYIFYFRKNW-JTQLQIEISA-N 1 0 341.393 -1.348 20 0 EAADRO CC[C@@H]([NH2+]CCN(CCO)C(=O)C(=O)N1CCC(C)CC1)C(N)=O ZINC001272270426 785869879 /nfs/dbraw/zinc/86/98/79/785869879.db2.gz BDAKBYZGRINHKX-CYBMUJFWSA-N 1 0 342.440 -1.081 20 0 EAADRO CC[C@H]([NH2+]CCN(CCO)C(=O)C(=O)N1CCC(C)CC1)C(N)=O ZINC001272270427 785870867 /nfs/dbraw/zinc/87/08/67/785870867.db2.gz BDAKBYZGRINHKX-ZDUSSCGKSA-N 1 0 342.440 -1.081 20 0 EAADRO Cc1cccnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001272272061 785517828 /nfs/dbraw/zinc/51/78/28/785517828.db2.gz QJCZSVAVNTZDKY-LBPRGKRZSA-N 1 0 349.391 -1.101 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001272272327 785525864 /nfs/dbraw/zinc/52/58/64/785525864.db2.gz UFRUZJQLEBBRHV-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001272272328 785525729 /nfs/dbraw/zinc/52/57/29/785525729.db2.gz UFRUZJQLEBBRHV-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001272272330 785525744 /nfs/dbraw/zinc/52/57/44/785525744.db2.gz UFRUZJQLEBBRHV-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001272272333 785525410 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340.384 -1.924 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272277153 785941647 /nfs/dbraw/zinc/94/16/47/785941647.db2.gz HXGFXQZOQCAKFF-GHMZBOCLSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001272277158 785941476 /nfs/dbraw/zinc/94/14/76/785941476.db2.gz HXGFXQZOQCAKFF-MNOVXSKESA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001272277161 785941390 /nfs/dbraw/zinc/94/13/90/785941390.db2.gz HXGFXQZOQCAKFF-QWRGUYRKSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272277166 785941363 /nfs/dbraw/zinc/94/13/63/785941363.db2.gz HXGFXQZOQCAKFF-WDEREUQCSA-N 1 0 340.380 -2.129 20 0 EAADRO Cn1nccc1C[NH2+]CCN(CCO)C(=O)C1CC(=O)NC(=O)C1 ZINC001272277201 785941545 /nfs/dbraw/zinc/94/15/45/785941545.db2.gz IIGULWNJTJEYHP-UHFFFAOYSA-N 1 0 337.380 -1.617 20 0 EAADRO O=C(C[C@H]1CCC(=O)N1)N(CCO)CC[NH2+]CC(=O)N1CCCC1 ZINC001272277314 785941260 /nfs/dbraw/zinc/94/12/60/785941260.db2.gz JEJHLFNURPMBTE-CYBMUJFWSA-N 1 0 340.424 -1.312 20 0 EAADRO O=C(C[C@@H]1CCC(=O)N1)N(CCO)CC[NH2+]CC(=O)N1CCCC1 ZINC001272277317 785941113 /nfs/dbraw/zinc/94/11/13/785941113.db2.gz JEJHLFNURPMBTE-ZDUSSCGKSA-N 1 0 340.424 -1.312 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N(CCO)CC[NH2+]CC1CCOCC1 ZINC001272277470 785942094 /nfs/dbraw/zinc/94/20/94/785942094.db2.gz JRTGWOVWSAHKSH-UHFFFAOYSA-N 1 0 341.408 -1.124 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1nc[nH]n1)Nc1nccs1 ZINC001272277602 785942723 /nfs/dbraw/zinc/94/27/23/785942723.db2.gz LIGQQAHRHVBBNC-UHFFFAOYSA-N 1 0 339.381 -1.076 20 0 EAADRO Cn1ncc(C(=O)N(CCO)CC[NH2+]CC(=O)NC(C)(C)C)n1 ZINC001272277766 785943527 /nfs/dbraw/zinc/94/35/27/785943527.db2.gz ODOFHMQEUJWZKG-UHFFFAOYSA-N 1 0 326.401 -1.246 20 0 EAADRO O=C(C1CC(=O)NC(=O)C1)N(CCO)CC[NH2+]CCn1cccn1 ZINC001272278037 785943104 /nfs/dbraw/zinc/94/31/04/785943104.db2.gz QIZJLSOANMGSEX-UHFFFAOYSA-N 1 0 337.380 -1.654 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)c1nc2ncccn2n1 ZINC001272278199 785941939 /nfs/dbraw/zinc/94/19/39/785941939.db2.gz UCGDWMRHMJCBKZ-UHFFFAOYSA-N 1 0 349.395 -1.373 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1ccc2nncn2c1)N1CCC1 ZINC001272278209 785943230 /nfs/dbraw/zinc/94/32/30/785943230.db2.gz UFJMHOQPKNZMQR-UHFFFAOYSA-N 1 0 346.391 -1.014 20 0 EAADRO C[NH+](C)CCN1CC2(CN(C(=O)c3cc(=O)cc[nH]3)C2)OCC1=O ZINC001272278349 785942781 /nfs/dbraw/zinc/94/27/81/785942781.db2.gz ABPJRLNLOLBBQU-UHFFFAOYSA-N 1 0 334.376 -1.010 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)N(CCO)CC[NH2+]C[C@@H](C)O)cn2n1 ZINC001272278421 785943131 /nfs/dbraw/zinc/94/31/31/785943131.db2.gz VCYIUEFDZOSPRQ-LLVKDONJSA-N 1 0 337.380 -1.264 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)N(CCO)CC[NH2+]C[C@H](C)O)cn2n1 ZINC001272278427 785942566 /nfs/dbraw/zinc/94/25/66/785942566.db2.gz VCYIUEFDZOSPRQ-NSHDSACASA-N 1 0 337.380 -1.264 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)C1CC(=O)NC(=O)C1 ZINC001272278445 785942154 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NC(=O)C[NH2+]CCN(CCO)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001272283698 785949947 /nfs/dbraw/zinc/94/99/47/785949947.db2.gz ACHRDSLPIOMFNU-CYBMUJFWSA-N 1 0 334.376 -1.243 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001272283699 785949852 /nfs/dbraw/zinc/94/98/52/785949852.db2.gz ACHRDSLPIOMFNU-ZDUSSCGKSA-N 1 0 334.376 -1.243 20 0 EAADRO O=C(c1ncccn1)N(CCO)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001272283749 785949656 /nfs/dbraw/zinc/94/96/56/785949656.db2.gz BBNXOUPSOMIZAS-GFCCVEGCSA-N 1 0 342.421 -1.065 20 0 EAADRO O=C(c1ncccn1)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001272283750 785950456 /nfs/dbraw/zinc/95/04/56/785950456.db2.gz BBNXOUPSOMIZAS-LBPRGKRZSA-N 1 0 342.421 -1.065 20 0 EAADRO O=C(c1nccs1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272284545 785949999 /nfs/dbraw/zinc/94/99/99/785949999.db2.gz MSDUBKZPVPGGIN-SECBINFHSA-N 1 0 326.378 -1.028 20 0 EAADRO O=C(c1nccs1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001272284547 785950151 /nfs/dbraw/zinc/95/01/51/785950151.db2.gz MSDUBKZPVPGGIN-VIFPVBQESA-N 1 0 326.378 -1.028 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cc2ncccn2n1 ZINC001272284557 785950086 /nfs/dbraw/zinc/95/00/86/785950086.db2.gz MUBKVSCOMLNCQF-UHFFFAOYSA-N 1 0 334.380 -1.111 20 0 EAADRO O=C(c1cccnn1)N(CCO)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001272284571 785949705 /nfs/dbraw/zinc/94/97/05/785949705.db2.gz NAGAIPMRWBXILF-GFCCVEGCSA-N 1 0 342.421 -1.065 20 0 EAADRO O=C(c1cccnn1)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001272284573 785950446 /nfs/dbraw/zinc/95/04/46/785950446.db2.gz NAGAIPMRWBXILF-LBPRGKRZSA-N 1 0 342.421 -1.065 20 0 EAADRO C[C@@H]1C[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)CCO1 ZINC001272284903 785949557 /nfs/dbraw/zinc/94/95/57/785949557.db2.gz UUJXBKKIWAMLBR-GHMZBOCLSA-N 1 0 330.385 -1.593 20 0 EAADRO C[C@@H]1C[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)CCO1 ZINC001272284904 785950649 /nfs/dbraw/zinc/95/06/49/785950649.db2.gz UUJXBKKIWAMLBR-MNOVXSKESA-N 1 0 330.385 -1.593 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)CCO1 ZINC001272284905 785950138 /nfs/dbraw/zinc/95/01/38/785950138.db2.gz UUJXBKKIWAMLBR-QWRGUYRKSA-N 1 0 330.385 -1.593 20 0 EAADRO C[C@H]1C[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)CCO1 ZINC001272284906 785949323 /nfs/dbraw/zinc/94/93/23/785949323.db2.gz UUJXBKKIWAMLBR-WDEREUQCSA-N 1 0 330.385 -1.593 20 0 EAADRO C[C@H]1OCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001272284922 785949819 /nfs/dbraw/zinc/94/98/19/785949819.db2.gz VFSNQEBGQAWMKV-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@@H]1OCC[C@H]1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001272284923 785950618 /nfs/dbraw/zinc/95/06/18/785950618.db2.gz VFSNQEBGQAWMKV-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@@H]1OCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001272284924 785950078 /nfs/dbraw/zinc/95/00/78/785950078.db2.gz VFSNQEBGQAWMKV-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@H]1OCC[C@H]1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001272284925 785950098 /nfs/dbraw/zinc/95/00/98/785950098.db2.gz VFSNQEBGQAWMKV-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001272289208 785951245 /nfs/dbraw/zinc/95/12/45/785951245.db2.gz AVKIHKLKBCQRON-LLVKDONJSA-N 1 0 335.426 -1.903 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001272289211 785951550 /nfs/dbraw/zinc/95/15/50/785951550.db2.gz AVKIHKLKBCQRON-NSHDSACASA-N 1 0 335.426 -1.903 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc(N2CCCC2)nn1 ZINC001272289864 785951493 /nfs/dbraw/zinc/95/14/93/785951493.db2.gz JAELDFMFZLWIGL-UHFFFAOYSA-N 1 0 336.396 -1.414 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1nocc1C ZINC001272290349 785951016 /nfs/dbraw/zinc/95/10/16/785951016.db2.gz OJXNXLZRYCKEKY-UHFFFAOYSA-N 1 0 341.368 -1.147 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001272290712 785953140 /nfs/dbraw/zinc/95/31/40/785953140.db2.gz SHFHUZNTXZHDTF-HZMBPMFUSA-N 1 0 328.369 -1.982 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001272290714 785952954 /nfs/dbraw/zinc/95/29/54/785952954.db2.gz SHFHUZNTXZHDTF-IINYFYTJSA-N 1 0 328.369 -1.982 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001272290716 785952831 /nfs/dbraw/zinc/95/28/31/785952831.db2.gz SHFHUZNTXZHDTF-QMTHXVAHSA-N 1 0 328.369 -1.982 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[C@]12CCOC2 ZINC001272290718 785952793 /nfs/dbraw/zinc/95/27/93/785952793.db2.gz SHFHUZNTXZHDTF-YGRLFVJLSA-N 1 0 328.369 -1.982 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001272291052 785952660 /nfs/dbraw/zinc/95/26/60/785952660.db2.gz UGNGLTJDCGXXJF-HNNXBMFYSA-N 1 0 328.413 -1.599 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001272291053 785953119 /nfs/dbraw/zinc/95/31/19/785953119.db2.gz UGNGLTJDCGXXJF-OAHLLOKOSA-N 1 0 328.413 -1.599 20 0 EAADRO Cc1nonc1CC(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001272291104 785952899 /nfs/dbraw/zinc/95/28/99/785952899.db2.gz VDHOMWFWKKTLRK-UHFFFAOYSA-N 1 0 325.369 -1.437 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc(Cl)cn1 ZINC001272294662 785954292 /nfs/dbraw/zinc/95/42/92/785954292.db2.gz AGFMEILFNCPTJJ-UHFFFAOYSA-N 1 0 343.771 -1.046 20 0 EAADRO Cn1nnnc1CNCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272294726 785954566 /nfs/dbraw/zinc/95/45/66/785954566.db2.gz BMOCVOQKORBTAG-GFCCVEGCSA-N 1 0 325.417 -1.538 20 0 EAADRO Cn1nnnc1CNCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272294728 785953760 /nfs/dbraw/zinc/95/37/60/785953760.db2.gz BMOCVOQKORBTAG-LBPRGKRZSA-N 1 0 325.417 -1.538 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+]Cc2cnnn2C)CCC1 ZINC001272294981 785954172 /nfs/dbraw/zinc/95/41/72/785954172.db2.gz HUIGXOWKWLXEAJ-UHFFFAOYSA-N 1 0 338.412 -1.358 20 0 EAADRO COc1ccsc1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001272294984 785954537 /nfs/dbraw/zinc/95/45/37/785954537.db2.gz HWRBQNFRDPOKNI-UHFFFAOYSA-N 1 0 344.393 -1.024 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+][C@H](C)C(=O)N(C)C)CCC1 ZINC001272295120 785953881 /nfs/dbraw/zinc/95/38/81/785953881.db2.gz JNUTWQGHUPOJEK-GFCCVEGCSA-N 1 0 342.440 -1.210 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+][C@@H](C)C(=O)N(C)C)CCC1 ZINC001272295121 785954644 /nfs/dbraw/zinc/95/46/44/785954644.db2.gz JNUTWQGHUPOJEK-LBPRGKRZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCn1cnc(C(=O)N(CCO)CC[NH2+]CC(=O)NC(=O)NC)c1 ZINC001272295197 785953779 /nfs/dbraw/zinc/95/37/79/785953779.db2.gz LYAIBJULUFQQSQ-UHFFFAOYSA-N 1 0 340.384 -1.617 20 0 EAADRO Cn1cccc(C(=O)N(CCO)CC[NH2+]CCS(C)(=O)=O)c1=O ZINC001272295433 785954147 /nfs/dbraw/zinc/95/41/47/785954147.db2.gz QSNDIEZKHKXJIB-UHFFFAOYSA-N 1 0 345.421 -1.546 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001272295720 785954680 /nfs/dbraw/zinc/95/46/80/785954680.db2.gz ZPYGJSKSERLWGR-GFCCVEGCSA-N 1 0 340.424 -1.408 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001272295721 785954062 /nfs/dbraw/zinc/95/40/62/785954062.db2.gz ZPYGJSKSERLWGR-LBPRGKRZSA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@H](O)C[NH2+]CCN(CCO)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001272300216 785955740 /nfs/dbraw/zinc/95/57/40/785955740.db2.gz CNPKYXJUZORYIM-AAEUAGOBSA-N 1 0 337.442 -1.750 20 0 EAADRO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001272300239 785955885 /nfs/dbraw/zinc/95/58/85/785955885.db2.gz CNPKYXJUZORYIM-DGCLKSJQSA-N 1 0 337.442 -1.750 20 0 EAADRO C[C@H](O)C[NH2+]CCN(CCO)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001272300240 785955533 /nfs/dbraw/zinc/95/55/33/785955533.db2.gz CNPKYXJUZORYIM-WCQYABFASA-N 1 0 337.442 -1.750 20 0 EAADRO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001272300242 785955409 /nfs/dbraw/zinc/95/54/09/785955409.db2.gz CNPKYXJUZORYIM-YPMHNXCESA-N 1 0 337.442 -1.750 20 0 EAADRO CS(=O)(=O)CC[NH2+]CCN(CCO)C(=O)c1ccc(=O)[nH]c1 ZINC001272300926 785955556 /nfs/dbraw/zinc/95/55/56/785955556.db2.gz JXXRSADSFXVQFY-UHFFFAOYSA-N 1 0 331.394 -1.144 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)c1cccc(C(=O)NC)n1 ZINC001272301163 785955174 /nfs/dbraw/zinc/95/51/74/785955174.db2.gz PIGBHERCGROPBU-UHFFFAOYSA-N 1 0 337.380 -1.789 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC(=O)N1C ZINC001272301177 785955242 /nfs/dbraw/zinc/95/52/42/785955242.db2.gz QDJYIFRCVXUQLJ-CYBMUJFWSA-N 1 0 342.440 -1.114 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC(=O)N1C ZINC001272301179 785955892 /nfs/dbraw/zinc/95/58/92/785955892.db2.gz QDJYIFRCVXUQLJ-ZDUSSCGKSA-N 1 0 342.440 -1.114 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCn1cncn1 ZINC001272301371 785955967 /nfs/dbraw/zinc/95/59/67/785955967.db2.gz UAKUMKBIYVQURX-CYBMUJFWSA-N 1 0 338.412 -1.301 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)N(CCO)CC[NH2+]CCn1cncn1 ZINC001272301372 785955835 /nfs/dbraw/zinc/95/58/35/785955835.db2.gz UAKUMKBIYVQURX-ZDUSSCGKSA-N 1 0 338.412 -1.301 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC(=O)N1C ZINC001272301399 785955384 /nfs/dbraw/zinc/95/53/84/785955384.db2.gz VDMBFGRTPBWUBY-GFCCVEGCSA-N 1 0 328.413 -1.456 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC(=O)N1C ZINC001272301400 785955679 /nfs/dbraw/zinc/95/56/79/785955679.db2.gz VDMBFGRTPBWUBY-LBPRGKRZSA-N 1 0 328.413 -1.456 20 0 EAADRO CCc1nc[nH]c1C(=O)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272301719 785955938 /nfs/dbraw/zinc/95/59/38/785955938.db2.gz ZQTGOBRUNPHTQD-LLVKDONJSA-N 1 0 337.380 -1.199 20 0 EAADRO CCc1nc[nH]c1C(=O)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001272301720 785955198 /nfs/dbraw/zinc/95/51/98/785955198.db2.gz ZQTGOBRUNPHTQD-NSHDSACASA-N 1 0 337.380 -1.199 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001272302185 785955928 /nfs/dbraw/zinc/95/59/28/785955928.db2.gz OYJVRJVDVPWPRT-HTQZYQBOSA-N 1 0 326.382 -1.164 20 0 EAADRO NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001272302186 785955152 /nfs/dbraw/zinc/95/51/52/785955152.db2.gz OYJVRJVDVPWPRT-JGVFFNPUSA-N 1 0 326.382 -1.164 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001272302187 785955141 /nfs/dbraw/zinc/95/51/41/785955141.db2.gz OYJVRJVDVPWPRT-SFYZADRCSA-N 1 0 326.382 -1.164 20 0 EAADRO NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001272302188 785955162 /nfs/dbraw/zinc/95/51/62/785955162.db2.gz OYJVRJVDVPWPRT-YUMQZZPRSA-N 1 0 326.382 -1.164 20 0 EAADRO Cc1nc(C)c(C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)s1 ZINC001272306760 785955904 /nfs/dbraw/zinc/95/59/04/785955904.db2.gz ATNHHLXKTCUXQE-UHFFFAOYSA-N 1 0 343.409 -1.021 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N(CCO)CC[NH2+]Cc1ccns1 ZINC001272306765 785955120 /nfs/dbraw/zinc/95/51/20/785955120.db2.gz BFTFBYJCIFYRNZ-UHFFFAOYSA-N 1 0 341.393 -1.395 20 0 EAADRO C[C@@H]1CC[C@@H](C[NH2+]CCN(CCO)C(=O)CN2C(=O)CNC2=O)O1 ZINC001272306816 785955082 /nfs/dbraw/zinc/95/50/82/785955082.db2.gz DFFQYVDCBOAEJT-NEPJUHHUSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CC[C@H](C[NH2+]CCN(CCO)C(=O)CN2C(=O)CNC2=O)O1 ZINC001272306817 785955879 /nfs/dbraw/zinc/95/58/79/785955879.db2.gz DFFQYVDCBOAEJT-NWDGAFQWSA-N 1 0 342.396 -1.484 20 0 EAADRO C[C@H]1CC[C@@H](C[NH2+]CCN(CCO)C(=O)CN2C(=O)CNC2=O)O1 ZINC001272306818 785955343 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CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)CN1C(=O)CNC1=O ZINC001272307250 785955035 /nfs/dbraw/zinc/95/50/35/785955035.db2.gz MZFMTGQYEBICSE-UHFFFAOYSA-N 1 0 329.357 -2.963 20 0 EAADRO Cn1cncc1C[NH2+]CCN(CCO)C(=O)CN1C(=O)CNC1=O ZINC001272307321 785956014 /nfs/dbraw/zinc/95/60/14/785956014.db2.gz OGTKRRXWTSTRCY-UHFFFAOYSA-N 1 0 338.368 -2.118 20 0 EAADRO Cn1nccc1C[NH2+]CCN(CCO)C(=O)c1ccc(=O)n(C)n1 ZINC001272307441 785956023 /nfs/dbraw/zinc/95/60/23/785956023.db2.gz QERDOALQTRUKDL-UHFFFAOYSA-N 1 0 334.380 -1.262 20 0 EAADRO Cc1c[nH]cc1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001272307546 785955915 /nfs/dbraw/zinc/95/59/15/785955915.db2.gz SBWFQTCXYGULFL-UHFFFAOYSA-N 1 0 337.380 -1.101 20 0 EAADRO Cn1nncc1C[NH2+]CCN(CCO)C(=O)CNC(=O)C(C)(C)C ZINC001272307553 785957333 /nfs/dbraw/zinc/95/73/33/785957333.db2.gz SLYFSJLJEYFSKY-UHFFFAOYSA-N 1 0 340.428 -1.112 20 0 EAADRO Cn1ncnc1C(=O)N1[C@H]2COC[C@@H]1CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001272307704 785957200 /nfs/dbraw/zinc/95/72/00/785957200.db2.gz APFIFLFIIPVPAM-TXEJJXNPSA-N 1 0 348.407 -1.039 20 0 EAADRO Cn1ncnc1C(=O)N1C[C@H]2CN(C(=O)C3([NH+](C)C)CC3)C[C@@H](C1)O2 ZINC001272308031 785957396 /nfs/dbraw/zinc/95/73/96/785957396.db2.gz MXZRQHSJEBQNKH-TXEJJXNPSA-N 1 0 348.407 -1.039 20 0 EAADRO Cn1ncnc1C(=O)N1CCO[C@H]2CN(C(=O)C3([NH+](C)C)CC3)C[C@H]21 ZINC001272308038 785956554 /nfs/dbraw/zinc/95/65/54/785956554.db2.gz NEHYQWVMKLFXIS-NEPJUHHUSA-N 1 0 348.407 -1.039 20 0 EAADRO Cn1ncnc1C(=O)N1CCO[C@H]2CN(C(=O)C3([NH+](C)C)CC3)C[C@@H]21 ZINC001272308039 785956516 /nfs/dbraw/zinc/95/65/16/785956516.db2.gz NEHYQWVMKLFXIS-RYUDHWBXSA-N 1 0 348.407 -1.039 20 0 EAADRO CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001272308681 785957104 /nfs/dbraw/zinc/95/71/04/785957104.db2.gz BYZARHGLSACSOF-TXEJJXNPSA-N 1 0 346.453 -1.201 20 0 EAADRO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)C3([NH+](C)C)CC3)C[C@H]21 ZINC001272308996 785957323 /nfs/dbraw/zinc/95/73/23/785957323.db2.gz HHGFCZCNEFFSOI-NEPJUHHUSA-N 1 0 346.453 -1.201 20 0 EAADRO 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NC(=O)c1ncccc1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001272315416 785957782 /nfs/dbraw/zinc/95/77/82/785957782.db2.gz MDVNMNCECNDYBP-UHFFFAOYSA-N 1 0 349.391 -1.563 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)c1ccnc(-n2ccnc2)c1 ZINC001272315463 785957857 /nfs/dbraw/zinc/95/78/57/785957857.db2.gz NIJWYVOPQZDIRG-UHFFFAOYSA-N 1 0 332.364 -1.223 20 0 EAADRO CCS(=O)(=O)CC(=O)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001272315481 785958621 /nfs/dbraw/zinc/95/86/21/785958621.db2.gz NYPIFQJFHBUGPQ-JTQLQIEISA-N 1 0 349.409 -2.363 20 0 EAADRO CCS(=O)(=O)CC(=O)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272315482 785958413 /nfs/dbraw/zinc/95/84/13/785958413.db2.gz NYPIFQJFHBUGPQ-SNVBAGLBSA-N 1 0 349.409 -2.363 20 0 EAADRO CC(=O)N[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2)[C@@H](C)O ZINC001272315617 785958219 /nfs/dbraw/zinc/95/82/19/785958219.db2.gz ABNBHKPYQJEJJU-RISCZKNCSA-N 1 0 340.424 -1.506 20 0 EAADRO Cn1cc(C(=O)N(CCO)CCNCc2ncccn2)n(C)c1=O ZINC001272315754 785958082 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VRWYOTSRGQDVCQ-BEAPCOKYSA-N 1 0 326.441 -1.034 20 0 EAADRO CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)[C@@H](C)O ZINC001272317974 785959760 /nfs/dbraw/zinc/95/97/60/785959760.db2.gz VWQBZYZPIJCOMP-RZFFKMDDSA-N 1 0 342.440 -1.655 20 0 EAADRO CC(=O)N[C@H](C(=O)N1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1)[C@@H](C)O ZINC001272318009 785960077 /nfs/dbraw/zinc/96/00/77/785960077.db2.gz WMHTVQHOGZAHPK-DIOULYMOSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@H](C(=O)N1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1)[C@@H](C)O ZINC001272318010 785959095 /nfs/dbraw/zinc/95/90/95/785959095.db2.gz WMHTVQHOGZAHPK-WPGHFRTFSA-N 1 0 340.424 -1.315 20 0 EAADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2CN(CC(=O)N(C)C)C[C@H]21)[C@@H](C)O ZINC001272318030 785959957 /nfs/dbraw/zinc/95/99/57/785959957.db2.gz XFVGKFAFEHSMMZ-ZRQNBYAXSA-N 1 0 340.424 -1.507 20 0 EAADRO CC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)[C@@H](C)O ZINC001272318031 785960250 /nfs/dbraw/zinc/96/02/50/785960250.db2.gz XGAVNXOOXACGLE-RZFFKMDDSA-N 1 0 342.440 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EAADRO NC(=O)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001272378314 785967538 /nfs/dbraw/zinc/96/75/38/785967538.db2.gz BQLWWZAZNQAOMI-VXGBXAGGSA-N 1 0 342.396 -2.434 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001272378493 785967480 /nfs/dbraw/zinc/96/74/80/785967480.db2.gz DLWJCZBFPQREIL-GHMZBOCLSA-N 1 0 325.369 -1.344 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001272378494 785967228 /nfs/dbraw/zinc/96/72/28/785967228.db2.gz DLWJCZBFPQREIL-WDEREUQCSA-N 1 0 325.369 -1.344 20 0 EAADRO O=C(Cc1ccon1)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272378499 785967394 /nfs/dbraw/zinc/96/73/94/785967394.db2.gz DQICOLJQMUUCLX-JTQLQIEISA-N 1 0 325.325 -2.164 20 0 EAADRO O=C(Cc1ccon1)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272378500 785967016 /nfs/dbraw/zinc/96/70/16/785967016.db2.gz DQICOLJQMUUCLX-SNVBAGLBSA-N 1 0 325.325 -2.164 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(F)nc1 ZINC001272378548 785967271 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CCCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001272379032 785967122 /nfs/dbraw/zinc/96/71/22/785967122.db2.gz IOGOWQMDOLEZGQ-JTQLQIEISA-N 1 0 344.412 -1.096 20 0 EAADRO CCCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001272379034 785967521 /nfs/dbraw/zinc/96/75/21/785967521.db2.gz IOGOWQMDOLEZGQ-SNVBAGLBSA-N 1 0 344.412 -1.096 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccnc(F)c1 ZINC001272379999 785967734 /nfs/dbraw/zinc/96/77/34/785967734.db2.gz LFJSZBQGDYTQKL-SECBINFHSA-N 1 0 327.316 -1.643 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccnc(F)c1 ZINC001272380000 785966750 /nfs/dbraw/zinc/96/67/50/785966750.db2.gz LFJSZBQGDYTQKL-VIFPVBQESA-N 1 0 327.316 -1.643 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272380412 785967144 /nfs/dbraw/zinc/96/71/44/785967144.db2.gz MQFRJMKTKOOOEL-NEPJUHHUSA-N 1 0 341.412 -1.911 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272380416 785967209 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20 0 EAADRO CC[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001272380756 785966498 /nfs/dbraw/zinc/96/64/98/785966498.db2.gz OLQNSUQIYNDDKT-NWDGAFQWSA-N 1 0 328.413 -1.280 20 0 EAADRO CC[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)CC(N)=O ZINC001272380757 785966461 /nfs/dbraw/zinc/96/64/61/785966461.db2.gz OLQNSUQIYNDDKT-RYUDHWBXSA-N 1 0 328.413 -1.280 20 0 EAADRO CC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001272380758 785966697 /nfs/dbraw/zinc/96/66/97/785966697.db2.gz OLQNSUQIYNDDKT-VXGBXAGGSA-N 1 0 328.413 -1.280 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(F)c1)S(C)(=O)=O ZINC001272381550 785966508 /nfs/dbraw/zinc/96/65/08/785966508.db2.gz TWLPOLOSLQZIRV-LLVKDONJSA-N 1 0 348.400 -1.208 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(F)c1)S(C)(=O)=O ZINC001272381551 785966797 /nfs/dbraw/zinc/96/67/97/785966797.db2.gz TWLPOLOSLQZIRV-NSHDSACASA-N 1 0 348.400 -1.208 20 0 EAADRO Cc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272381572 785966857 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-1.817 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1cscn1 ZINC001272381836 785967561 /nfs/dbraw/zinc/96/75/61/785967561.db2.gz XNFNUGPFMKHRPP-JTQLQIEISA-N 1 0 348.450 -1.141 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1cscn1 ZINC001272381837 785966984 /nfs/dbraw/zinc/96/69/84/785966984.db2.gz XNFNUGPFMKHRPP-SNVBAGLBSA-N 1 0 348.450 -1.141 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001272381917 785967069 /nfs/dbraw/zinc/96/70/69/785967069.db2.gz YIFWRGKAGAKOOF-NEPJUHHUSA-N 1 0 343.424 -1.348 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001272381919 785967575 /nfs/dbraw/zinc/96/75/75/785967575.db2.gz YIFWRGKAGAKOOF-RYUDHWBXSA-N 1 0 343.424 -1.348 20 0 EAADRO NC(=O)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC001272382028 785967379 /nfs/dbraw/zinc/96/73/79/785967379.db2.gz YWNPQDMBMTUQGZ-CHWSQXEVSA-N 1 0 334.376 -1.266 20 0 EAADRO NC(=O)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC001272382029 785966620 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CCc1ocnc1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001272389144 785968632 /nfs/dbraw/zinc/96/86/32/785968632.db2.gz KQQFHCMBEWFJQL-SNVBAGLBSA-N 1 0 325.369 -1.058 20 0 EAADRO O=C(C[C@H]1CCOC1)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272389730 785969127 /nfs/dbraw/zinc/96/91/27/785969127.db2.gz RVIWQVVZGOHQJJ-GHMZBOCLSA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(C[C@H]1CCOC1)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272389731 785968153 /nfs/dbraw/zinc/96/81/53/785968153.db2.gz RVIWQVVZGOHQJJ-MNOVXSKESA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(C[C@@H]1CCOC1)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272389732 785968518 /nfs/dbraw/zinc/96/85/18/785968518.db2.gz RVIWQVVZGOHQJJ-QWRGUYRKSA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(C[C@@H]1CCOC1)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272389733 785969201 /nfs/dbraw/zinc/96/92/01/785969201.db2.gz RVIWQVVZGOHQJJ-WDEREUQCSA-N 1 0 328.369 -1.969 20 0 EAADRO CN1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389838 785968611 /nfs/dbraw/zinc/96/86/11/785968611.db2.gz UQNYQOKAZHQDFR-NEPJUHHUSA-N 1 0 342.396 -2.467 20 0 EAADRO CN1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389839 785969048 /nfs/dbraw/zinc/96/90/48/785969048.db2.gz UQNYQOKAZHQDFR-NWDGAFQWSA-N 1 0 342.396 -2.467 20 0 EAADRO CN1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389840 785968564 /nfs/dbraw/zinc/96/85/64/785968564.db2.gz UQNYQOKAZHQDFR-RYUDHWBXSA-N 1 0 342.396 -2.467 20 0 EAADRO CN1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389841 785968785 /nfs/dbraw/zinc/96/87/85/785968785.db2.gz UQNYQOKAZHQDFR-VXGBXAGGSA-N 1 0 342.396 -2.467 20 0 EAADRO Cc1c(C(=O)NC[C@H](O)C[NH2+]CCNC(=O)NC(C)C)nnn1C ZINC001272390102 785968662 /nfs/dbraw/zinc/96/86/62/785968662.db2.gz XFHUZEFOJREUPD-LLVKDONJSA-N 1 0 341.416 -1.489 20 0 EAADRO Cc1c(C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)NC(C)C)nnn1C ZINC001272390103 785968445 /nfs/dbraw/zinc/96/84/45/785968445.db2.gz XFHUZEFOJREUPD-NSHDSACASA-N 1 0 341.416 -1.489 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)c1ccncc1F)S(C)(=O)=O ZINC001272390150 785968980 /nfs/dbraw/zinc/96/89/80/785968980.db2.gz YEDSDOSQMAWJGN-JTQLQIEISA-N 1 0 348.400 -1.208 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)c1ccncc1F)S(C)(=O)=O ZINC001272390151 785968289 /nfs/dbraw/zinc/96/82/89/785968289.db2.gz YEDSDOSQMAWJGN-SNVBAGLBSA-N 1 0 348.400 -1.208 20 0 EAADRO O=C(Cc1ccoc1)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272396514 785968581 /nfs/dbraw/zinc/96/85/81/785968581.db2.gz AAVXDSIWSRTZFE-CYBMUJFWSA-N 1 0 345.421 -1.076 20 0 EAADRO O=C(Cc1ccoc1)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272396515 785968668 /nfs/dbraw/zinc/96/86/68/785968668.db2.gz AAVXDSIWSRTZFE-ZDUSSCGKSA-N 1 0 345.421 -1.076 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001272396540 785968469 /nfs/dbraw/zinc/96/84/69/785968469.db2.gz AJGJAAKKZAWTRX-AWEZNQCLSA-N 1 0 325.413 -1.639 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001272396541 785968354 /nfs/dbraw/zinc/96/83/54/785968354.db2.gz AJGJAAKKZAWTRX-CQSZACIVSA-N 1 0 325.413 -1.639 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H](O)CNC(=O)c1ncccc1O ZINC001272396580 785969116 /nfs/dbraw/zinc/96/91/16/785969116.db2.gz BCQKXUFNGWDQTP-JTQLQIEISA-N 1 0 331.394 -1.098 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H](O)CNC(=O)c1ncccc1O ZINC001272396581 785969173 /nfs/dbraw/zinc/96/91/73/785969173.db2.gz BCQKXUFNGWDQTP-SNVBAGLBSA-N 1 0 331.394 -1.098 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001272396602 785968403 /nfs/dbraw/zinc/96/84/03/785968403.db2.gz BNJIBKIGUFPJMU-CHWSQXEVSA-N 1 0 342.440 -1.162 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001272396603 785968553 /nfs/dbraw/zinc/96/85/53/785968553.db2.gz BNJIBKIGUFPJMU-OLZOCXBDSA-N 1 0 342.440 -1.162 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001272396604 785969164 /nfs/dbraw/zinc/96/91/64/785969164.db2.gz BNJIBKIGUFPJMU-QWHCGFSZSA-N 1 0 342.440 -1.162 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001272396605 785968829 /nfs/dbraw/zinc/96/88/29/785968829.db2.gz BNJIBKIGUFPJMU-STQMWFEESA-N 1 0 342.440 -1.162 20 0 EAADRO Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)ncn1 ZINC001272396824 785968486 /nfs/dbraw/zinc/96/84/86/785968486.db2.gz DJZFQUUQMYIUMM-LLVKDONJSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)ncn1 ZINC001272396825 785969073 /nfs/dbraw/zinc/96/90/73/785969073.db2.gz DJZFQUUQMYIUMM-NSHDSACASA-N 1 0 335.364 -1.386 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1cc[nH]c(=O)c1 ZINC001272396844 785968896 /nfs/dbraw/zinc/96/88/96/785968896.db2.gz DODFEGCWNCWDLC-LLVKDONJSA-N 1 0 336.348 -1.384 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1cc[nH]c(=O)c1 ZINC001272396845 785968438 /nfs/dbraw/zinc/96/84/38/785968438.db2.gz DODFEGCWNCWDLC-NSHDSACASA-N 1 0 336.348 -1.384 20 0 EAADRO O=C(CN1CCOCC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001272396853 785968417 /nfs/dbraw/zinc/96/84/17/785968417.db2.gz DQUYVPHLUIQDBV-GFCCVEGCSA-N 1 0 329.401 -2.590 20 0 EAADRO O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001272396855 785968548 /nfs/dbraw/zinc/96/85/48/785968548.db2.gz DQUYVPHLUIQDBV-LBPRGKRZSA-N 1 0 329.401 -2.590 20 0 EAADRO Cn1ccc(C(=O)NC[C@H](O)C[NH2+]CCCN2C(=O)CNC2=O)c1 ZINC001272396877 785969005 /nfs/dbraw/zinc/96/90/05/785969005.db2.gz FBVJIVJXYHTNJM-GFCCVEGCSA-N 1 0 337.380 -1.353 20 0 EAADRO Cn1ccc(C(=O)NC[C@@H](O)C[NH2+]CCCN2C(=O)CNC2=O)c1 ZINC001272396879 785968866 /nfs/dbraw/zinc/96/88/66/785968866.db2.gz FBVJIVJXYHTNJM-LBPRGKRZSA-N 1 0 337.380 -1.353 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)cn1)S(C)(=O)=O ZINC001272397016 785968492 /nfs/dbraw/zinc/96/84/92/785968492.db2.gz FDLWTLZSOVOYAT-LLVKDONJSA-N 1 0 348.400 -1.208 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)c1ccc(F)cn1)S(C)(=O)=O ZINC001272397017 785968306 /nfs/dbraw/zinc/96/83/06/785968306.db2.gz FDLWTLZSOVOYAT-NSHDSACASA-N 1 0 348.400 -1.208 20 0 EAADRO O=C(CN1CCOCC1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272397026 785969033 /nfs/dbraw/zinc/96/90/33/785969033.db2.gz FHTCDNBEZADNHW-GHMZBOCLSA-N 1 0 328.369 -2.810 20 0 EAADRO O=C(CN1CCOCC1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272397027 785968246 /nfs/dbraw/zinc/96/82/46/785968246.db2.gz FHTCDNBEZADNHW-MNOVXSKESA-N 1 0 328.369 -2.810 20 0 EAADRO O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272397028 785968273 /nfs/dbraw/zinc/96/82/73/785968273.db2.gz FHTCDNBEZADNHW-QWRGUYRKSA-N 1 0 328.369 -2.810 20 0 EAADRO O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272397029 785968924 /nfs/dbraw/zinc/96/89/24/785968924.db2.gz FHTCDNBEZADNHW-WDEREUQCSA-N 1 0 328.369 -2.810 20 0 EAADRO O=C(CN1CCOCC1)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001272398092 785968342 /nfs/dbraw/zinc/96/83/42/785968342.db2.gz MZLVVACSTAZOBM-CYBMUJFWSA-N 1 0 328.413 -1.992 20 0 EAADRO O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001272398093 785968231 /nfs/dbraw/zinc/96/82/31/785968231.db2.gz MZLVVACSTAZOBM-ZDUSSCGKSA-N 1 0 328.413 -1.992 20 0 EAADRO CCc1nc(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)co1 ZINC001272399322 785968736 /nfs/dbraw/zinc/96/87/36/785968736.db2.gz XBQFEVYGLJVKAK-SECBINFHSA-N 1 0 339.352 -1.531 20 0 EAADRO CCc1nc(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)co1 ZINC001272399332 785969144 /nfs/dbraw/zinc/96/91/44/785969144.db2.gz XBQFEVYGLJVKAK-VIFPVBQESA-N 1 0 339.352 -1.531 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001272399608 785968757 /nfs/dbraw/zinc/96/87/57/785968757.db2.gz YYMJLCHRXJGDMZ-NEPJUHHUSA-N 1 0 328.413 -1.411 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001272399609 785968593 /nfs/dbraw/zinc/96/85/93/785968593.db2.gz YYMJLCHRXJGDMZ-NWDGAFQWSA-N 1 0 328.413 -1.411 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001272399610 785968222 /nfs/dbraw/zinc/96/82/22/785968222.db2.gz YYMJLCHRXJGDMZ-RYUDHWBXSA-N 1 0 328.413 -1.411 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001272399611 785968539 /nfs/dbraw/zinc/96/85/39/785968539.db2.gz YYMJLCHRXJGDMZ-VXGBXAGGSA-N 1 0 328.413 -1.411 20 0 EAADRO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001272406095 785969873 /nfs/dbraw/zinc/96/98/73/785969873.db2.gz DXTHCPIPBQMWGP-JTQLQIEISA-N 1 0 338.368 -1.873 20 0 EAADRO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001272406096 785970365 /nfs/dbraw/zinc/97/03/65/785970365.db2.gz DXTHCPIPBQMWGP-SNVBAGLBSA-N 1 0 338.368 -1.873 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]CCn2nc(C)nc2C)C1 ZINC001272406466 785970071 /nfs/dbraw/zinc/97/00/71/785970071.db2.gz KKUSVLBGOFLSSX-AWEZNQCLSA-N 1 0 338.412 -1.560 20 0 EAADRO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]CCn2nc(C)nc2C)C1 ZINC001272406467 785970369 /nfs/dbraw/zinc/97/03/69/785970369.db2.gz KKUSVLBGOFLSSX-CQSZACIVSA-N 1 0 338.412 -1.560 20 0 EAADRO CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)cn1 ZINC001272406574 785970054 /nfs/dbraw/zinc/97/00/54/785970054.db2.gz MBYOIFXNCIRTKC-NEPJUHHUSA-N 1 0 325.369 -1.379 20 0 EAADRO CCn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cn1 ZINC001272406575 785969640 /nfs/dbraw/zinc/96/96/40/785969640.db2.gz MBYOIFXNCIRTKC-NWDGAFQWSA-N 1 0 325.369 -1.379 20 0 EAADRO CCn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)cn1 ZINC001272406576 785970405 /nfs/dbraw/zinc/97/04/05/785970405.db2.gz MBYOIFXNCIRTKC-RYUDHWBXSA-N 1 0 325.369 -1.379 20 0 EAADRO CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cn1 ZINC001272406577 785970176 /nfs/dbraw/zinc/97/01/76/785970176.db2.gz MBYOIFXNCIRTKC-VXGBXAGGSA-N 1 0 325.369 -1.379 20 0 EAADRO Cc1cc[nH]c1C(=O)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272406876 785970168 /nfs/dbraw/zinc/97/01/68/785970168.db2.gz RJLFKKCMAGSOIP-LLVKDONJSA-N 1 0 337.380 -1.055 20 0 EAADRO Cc1cc[nH]c1C(=O)NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272406877 785970280 /nfs/dbraw/zinc/97/02/80/785970280.db2.gz RJLFKKCMAGSOIP-NSHDSACASA-N 1 0 337.380 -1.055 20 0 EAADRO Cc1ccn(C)c1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272406900 785970252 /nfs/dbraw/zinc/97/02/52/785970252.db2.gz RQFUFHKKLVPLBG-LLVKDONJSA-N 1 0 337.380 -1.434 20 0 EAADRO Cc1ccn(C)c1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272406901 785969624 /nfs/dbraw/zinc/96/96/24/785969624.db2.gz RQFUFHKKLVPLBG-NSHDSACASA-N 1 0 337.380 -1.434 20 0 EAADRO Cn1nncc1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272406920 785970427 /nfs/dbraw/zinc/97/04/27/785970427.db2.gz RWZQENWPBMEGRV-JTQLQIEISA-N 1 0 346.413 -2.469 20 0 EAADRO Cn1nncc1C(=O)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272406921 785970415 /nfs/dbraw/zinc/97/04/15/785970415.db2.gz RWZQENWPBMEGRV-SNVBAGLBSA-N 1 0 346.413 -2.469 20 0 EAADRO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)n1 ZINC001272406944 785969649 /nfs/dbraw/zinc/96/96/49/785969649.db2.gz SNGMUZJVKLCIRQ-JTQLQIEISA-N 1 0 331.398 -1.985 20 0 EAADRO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O)n1 ZINC001272406945 785970212 /nfs/dbraw/zinc/97/02/12/785970212.db2.gz 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O=C(NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1ncc[nH]1 ZINC001272407364 785969972 /nfs/dbraw/zinc/96/99/72/785969972.db2.gz ZMQYNPRUISLVSE-JTQLQIEISA-N 1 0 331.398 -1.875 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1ncc[nH]1 ZINC001272407365 785970258 /nfs/dbraw/zinc/97/02/58/785970258.db2.gz ZMQYNPRUISLVSE-SNVBAGLBSA-N 1 0 331.398 -1.875 20 0 EAADRO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)S(C)(=O)=O ZINC001272407450 785970476 /nfs/dbraw/zinc/97/04/76/785970476.db2.gz GEUWKCBEYKKWMU-RYUDHWBXSA-N 1 0 346.453 -1.359 20 0 EAADRO CN(CC(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2)S(C)(=O)=O ZINC001272407525 785970017 /nfs/dbraw/zinc/97/00/17/785970017.db2.gz JKOHZKCHJWVUJS-UHFFFAOYSA-N 1 0 341.437 -1.081 20 0 EAADRO CN(CC(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2)S(C)(=O)=O ZINC001272407603 785969888 /nfs/dbraw/zinc/96/98/88/785969888.db2.gz MCCSHFHALFDJKN-UHFFFAOYSA-N 1 0 332.470 -1.026 20 0 EAADRO CN(CC(=O)N1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2)S(C)(=O)=O ZINC001272407625 785970225 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348.469 -1.649 20 0 EAADRO CN(CC(=O)N1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1)S(C)(=O)=O ZINC001272407967 785970185 /nfs/dbraw/zinc/97/01/85/785970185.db2.gz WQADPMVPYNUQRQ-AWEZNQCLSA-N 1 0 346.453 -1.309 20 0 EAADRO CN(CC(=O)N1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1)S(C)(=O)=O ZINC001272407969 785969798 /nfs/dbraw/zinc/96/97/98/785969798.db2.gz WQADPMVPYNUQRQ-CQSZACIVSA-N 1 0 346.453 -1.309 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001272409339 785970205 /nfs/dbraw/zinc/97/02/05/785970205.db2.gz KNTCXEIAAMTWTG-QWRGUYRKSA-N 1 0 334.442 -1.084 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001272409340 785970325 /nfs/dbraw/zinc/97/03/25/785970325.db2.gz KNTCXEIAAMTWTG-WDEREUQCSA-N 1 0 334.442 -1.084 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001272409903 785969516 /nfs/dbraw/zinc/96/95/16/785969516.db2.gz PIMMOGZOHCBENK-LLVKDONJSA-N 1 0 338.412 -1.037 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 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Cn1cc(Cl)c(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)n1 ZINC001272424990 785971642 /nfs/dbraw/zinc/97/16/42/785971642.db2.gz GIPNNDFKYVBICG-VIFPVBQESA-N 1 0 344.803 -1.221 20 0 EAADRO CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)cn1 ZINC001272425296 785971218 /nfs/dbraw/zinc/97/12/18/785971218.db2.gz LBBJPKHGCOEZBW-CYBMUJFWSA-N 1 0 344.437 -1.443 20 0 EAADRO CCn1cc(CC[NH2+]C[C@H](O)CNC(=O)C2CS(=O)(=O)C2)cn1 ZINC001272425298 785970972 /nfs/dbraw/zinc/97/09/72/785970972.db2.gz LBBJPKHGCOEZBW-ZDUSSCGKSA-N 1 0 344.437 -1.443 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@]12C[C@H]1COC2 ZINC001272426317 785971269 /nfs/dbraw/zinc/97/12/69/785971269.db2.gz SDWDZRFIGZGWOK-PGUXBMHVSA-N 1 0 325.365 -1.761 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)[C@]12C[C@H]1COC2 ZINC001272426319 785971759 /nfs/dbraw/zinc/97/17/59/785971759.db2.gz SDWDZRFIGZGWOK-RWSFTLGLSA-N 1 0 325.365 -1.761 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)[C@]12C[C@H]1COC2 ZINC001272427097 785971512 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O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001272434130 785971751 /nfs/dbraw/zinc/97/17/51/785971751.db2.gz ALWQOEANOLUBIQ-QWHCGFSZSA-N 1 0 329.397 -1.662 20 0 EAADRO O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001272434131 785971212 /nfs/dbraw/zinc/97/12/12/785971212.db2.gz ALWQOEANOLUBIQ-STQMWFEESA-N 1 0 329.397 -1.662 20 0 EAADRO O=C(C[C@H]1CCC(=O)NC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001272434329 785971521 /nfs/dbraw/zinc/97/15/21/785971521.db2.gz DUEYRNGCNOPANH-NEPJUHHUSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(C[C@@H]1CCC(=O)NC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001272434331 785970917 /nfs/dbraw/zinc/97/09/17/785970917.db2.gz DUEYRNGCNOPANH-NWDGAFQWSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(C[C@@H]1CCC(=O)NC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001272434332 785971104 /nfs/dbraw/zinc/97/11/04/785971104.db2.gz DUEYRNGCNOPANH-RYUDHWBXSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(C[C@H]1CCC(=O)NC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001272434334 785973120 /nfs/dbraw/zinc/97/31/20/785973120.db2.gz DUEYRNGCNOPANH-VXGBXAGGSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001272434485 785973332 /nfs/dbraw/zinc/97/33/32/785973332.db2.gz FXIOUUICGSYAMJ-NXEZZACHSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001272434486 785973198 /nfs/dbraw/zinc/97/31/98/785973198.db2.gz FXIOUUICGSYAMJ-UWVGGRQHSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001272434487 785972314 /nfs/dbraw/zinc/97/23/14/785972314.db2.gz FXIOUUICGSYAMJ-VHSXEESVSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001272434488 785973364 /nfs/dbraw/zinc/97/33/64/785973364.db2.gz FXIOUUICGSYAMJ-ZJUUUORDSA-N 1 0 346.347 -1.785 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)cn1 ZINC001272434793 785973315 /nfs/dbraw/zinc/97/33/15/785973315.db2.gz KPIMMEZLWIHYAC-GXTWGEPZSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)cn1 ZINC001272434794 785972534 /nfs/dbraw/zinc/97/25/34/785972534.db2.gz KPIMMEZLWIHYAC-JSGCOSHPSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)cn1 ZINC001272434795 785973375 /nfs/dbraw/zinc/97/33/75/785973375.db2.gz KPIMMEZLWIHYAC-OCCSQVGLSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)cn1 ZINC001272434796 785972161 /nfs/dbraw/zinc/97/21/61/785972161.db2.gz KPIMMEZLWIHYAC-TZMCWYRMSA-N 1 0 337.424 -1.054 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001272435009 785972513 /nfs/dbraw/zinc/97/25/13/785972513.db2.gz NEDJWXRSLSMABU-NXEZZACHSA-N 1 0 328.369 -2.273 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001272435010 785972885 /nfs/dbraw/zinc/97/28/85/785972885.db2.gz NEDJWXRSLSMABU-UWVGGRQHSA-N 1 0 328.369 -2.273 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001272435011 785973131 /nfs/dbraw/zinc/97/31/31/785973131.db2.gz NEDJWXRSLSMABU-VHSXEESVSA-N 1 0 328.369 -2.273 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001272435012 785972984 /nfs/dbraw/zinc/97/29/84/785972984.db2.gz NEDJWXRSLSMABU-ZJUUUORDSA-N 1 0 328.369 -2.273 20 0 EAADRO Cc1[nH]nc(Cl)c1C(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272435097 785972501 /nfs/dbraw/zinc/97/25/01/785972501.db2.gz OVALCQZBDVLBEJ-HTQZYQBOSA-N 1 0 343.771 -1.143 20 0 EAADRO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272435098 785973145 /nfs/dbraw/zinc/97/31/45/785973145.db2.gz OVALCQZBDVLBEJ-JGVFFNPUSA-N 1 0 343.771 -1.143 20 0 EAADRO Cc1[nH]nc(Cl)c1C(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272435099 785973079 /nfs/dbraw/zinc/97/30/79/785973079.db2.gz OVALCQZBDVLBEJ-SFYZADRCSA-N 1 0 343.771 -1.143 20 0 EAADRO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272435100 785972698 /nfs/dbraw/zinc/97/26/98/785972698.db2.gz OVALCQZBDVLBEJ-YUMQZZPRSA-N 1 0 343.771 -1.143 20 0 EAADRO Cc1c(CC(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)cnn1C ZINC001272435701 785972771 /nfs/dbraw/zinc/97/27/71/785972771.db2.gz WMHYKGHVPHNMLY-GFCCVEGCSA-N 1 0 332.426 -1.618 20 0 EAADRO Cc1c(CC(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)cnn1C ZINC001272435703 785972972 /nfs/dbraw/zinc/97/29/72/785972972.db2.gz WMHYKGHVPHNMLY-LBPRGKRZSA-N 1 0 332.426 -1.618 20 0 EAADRO CN(CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1CC1 ZINC001272435903 785972624 /nfs/dbraw/zinc/97/26/24/785972624.db2.gz YRFCKIYMBREGPU-GHMZBOCLSA-N 1 0 340.380 -2.273 20 0 EAADRO CN(CC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1CC1 ZINC001272435904 785972830 /nfs/dbraw/zinc/97/28/30/785972830.db2.gz YRFCKIYMBREGPU-MNOVXSKESA-N 1 0 340.380 -2.273 20 0 EAADRO CN(CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1CC1 ZINC001272435905 785972994 /nfs/dbraw/zinc/97/29/94/785972994.db2.gz YRFCKIYMBREGPU-QWRGUYRKSA-N 1 0 340.380 -2.273 20 0 EAADRO CN(CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1CC1 ZINC001272435906 785972559 /nfs/dbraw/zinc/97/25/59/785972559.db2.gz YRFCKIYMBREGPU-WDEREUQCSA-N 1 0 340.380 -2.273 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl)c1=O ZINC001272435945 785973066 /nfs/dbraw/zinc/97/30/66/785973066.db2.gz ZIPMFERIPNZXDL-GQPNGRKGSA-N 1 0 330.772 -1.634 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NC[C@H](O)C[NH2+]C/C=C\Cl)c1=O ZINC001272435946 785972544 /nfs/dbraw/zinc/97/25/44/785972544.db2.gz ZIPMFERIPNZXDL-WUWIAWFRSA-N 1 0 330.772 -1.634 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NC[C@H](O)C[NH2+]C/C=C/Cl)c1=O ZINC001272435947 785973110 /nfs/dbraw/zinc/97/31/10/785973110.db2.gz ZIPMFERIPNZXDL-XCRNYIDWSA-N 1 0 330.772 -1.634 20 0 EAADRO Cn1c(=O)ccn(CC(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl)c1=O ZINC001272435948 785972918 /nfs/dbraw/zinc/97/29/18/785972918.db2.gz ZIPMFERIPNZXDL-YWNRKNDBSA-N 1 0 330.772 -1.634 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001272439009 785972221 /nfs/dbraw/zinc/97/22/21/785972221.db2.gz FVBMMDDKFAROAK-LLVKDONJSA-N 1 0 349.457 -1.962 20 0 EAADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001272439010 785972589 /nfs/dbraw/zinc/97/25/89/785972589.db2.gz FVBMMDDKFAROAK-NSHDSACASA-N 1 0 349.457 -1.962 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001272440998 785973462 /nfs/dbraw/zinc/97/34/62/785973462.db2.gz PRZDNRTYUAOZGM-NEPJUHHUSA-N 1 0 342.396 -1.185 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001272440999 785972300 /nfs/dbraw/zinc/97/23/00/785972300.db2.gz PRZDNRTYUAOZGM-NWDGAFQWSA-N 1 0 342.396 -1.185 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001272441000 785973443 /nfs/dbraw/zinc/97/34/43/785973443.db2.gz PRZDNRTYUAOZGM-RYUDHWBXSA-N 1 0 342.396 -1.185 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001272441001 785972311 /nfs/dbraw/zinc/97/23/11/785972311.db2.gz PRZDNRTYUAOZGM-VXGBXAGGSA-N 1 0 342.396 -1.185 20 0 EAADRO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001272442225 785973054 /nfs/dbraw/zinc/97/30/54/785973054.db2.gz DMZPYTWAEQVMPL-JTQLQIEISA-N 1 0 333.414 -2.042 20 0 EAADRO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001272442226 785973448 /nfs/dbraw/zinc/97/34/48/785973448.db2.gz DMZPYTWAEQVMPL-SNVBAGLBSA-N 1 0 333.414 -2.042 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1CCCNC1=O ZINC001272442477 785972640 /nfs/dbraw/zinc/97/26/40/785972640.db2.gz FTPJOFXXPBEVMA-GHMZBOCLSA-N 1 0 327.385 -2.396 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@H]1CCCNC1=O ZINC001272442478 785972483 /nfs/dbraw/zinc/97/24/83/785972483.db2.gz FTPJOFXXPBEVMA-MNOVXSKESA-N 1 0 327.385 -2.396 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@H]1CCCNC1=O ZINC001272442479 785972570 /nfs/dbraw/zinc/97/25/70/785972570.db2.gz FTPJOFXXPBEVMA-QWRGUYRKSA-N 1 0 327.385 -2.396 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1CCCNC1=O ZINC001272442480 785972577 /nfs/dbraw/zinc/97/25/77/785972577.db2.gz FTPJOFXXPBEVMA-WDEREUQCSA-N 1 0 327.385 -2.396 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001272442481 785972176 /nfs/dbraw/zinc/97/21/76/785972176.db2.gz FUAIKLOZGROWQM-NEPJUHHUSA-N 1 0 342.440 -1.116 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001272442482 785973384 /nfs/dbraw/zinc/97/33/84/785973384.db2.gz FUAIKLOZGROWQM-NWDGAFQWSA-N 1 0 342.440 -1.116 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001272442483 785973494 /nfs/dbraw/zinc/97/34/94/785973494.db2.gz FUAIKLOZGROWQM-RYUDHWBXSA-N 1 0 342.440 -1.116 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001272442484 785972232 /nfs/dbraw/zinc/97/22/32/785972232.db2.gz FUAIKLOZGROWQM-VXGBXAGGSA-N 1 0 342.440 -1.116 20 0 EAADRO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2NC(=O)NC2=O)s1 ZINC001272442507 785973431 /nfs/dbraw/zinc/97/34/31/785973431.db2.gz GHNJWOUOBMFFOZ-BDAKNGLRSA-N 1 0 341.393 -1.384 20 0 EAADRO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2NC(=O)NC2=O)s1 ZINC001272442508 785972249 /nfs/dbraw/zinc/97/22/49/785972249.db2.gz GHNJWOUOBMFFOZ-IUCAKERBSA-N 1 0 341.393 -1.384 20 0 EAADRO Cc1cccnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272442521 785973011 /nfs/dbraw/zinc/97/30/11/785973011.db2.gz GLJAEYJQBWLQJV-MNOVXSKESA-N 1 0 335.364 -1.445 20 0 EAADRO Cc1cccnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272442522 785972427 /nfs/dbraw/zinc/97/24/27/785972427.db2.gz GLJAEYJQBWLQJV-QWRGUYRKSA-N 1 0 335.364 -1.445 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)C1 ZINC001272442817 785972196 /nfs/dbraw/zinc/97/21/96/785972196.db2.gz ISUGCAYIEHMFLI-NEPJUHHUSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)C1 ZINC001272442818 785972793 /nfs/dbraw/zinc/97/27/93/785972793.db2.gz ISUGCAYIEHMFLI-NWDGAFQWSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)C1 ZINC001272442819 785973470 /nfs/dbraw/zinc/97/34/70/785973470.db2.gz ISUGCAYIEHMFLI-RYUDHWBXSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)C1 ZINC001272442820 785972939 /nfs/dbraw/zinc/97/29/39/785972939.db2.gz ISUGCAYIEHMFLI-VXGBXAGGSA-N 1 0 342.440 -1.177 20 0 EAADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001272443147 785972648 /nfs/dbraw/zinc/97/26/48/785972648.db2.gz LSQYTBXHFZOUKO-NEPJUHHUSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001272443148 785972472 /nfs/dbraw/zinc/97/24/72/785972472.db2.gz LSQYTBXHFZOUKO-NWDGAFQWSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001272443149 785973774 /nfs/dbraw/zinc/97/37/74/785973774.db2.gz LSQYTBXHFZOUKO-RYUDHWBXSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001272443150 785974563 /nfs/dbraw/zinc/97/45/63/785974563.db2.gz LSQYTBXHFZOUKO-VXGBXAGGSA-N 1 0 342.440 -1.034 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cc2n(n1)CCCC2 ZINC001272443428 785973419 /nfs/dbraw/zinc/97/34/19/785973419.db2.gz NIZSTTSTMZJTBP-NEPJUHHUSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2n(n1)CCCC2 ZINC001272443432 785972847 /nfs/dbraw/zinc/97/28/47/785972847.db2.gz NIZSTTSTMZJTBP-NWDGAFQWSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cc2n(n1)CCCC2 ZINC001272443433 785973350 /nfs/dbraw/zinc/97/33/50/785973350.db2.gz NIZSTTSTMZJTBP-RYUDHWBXSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2n(n1)CCCC2 ZINC001272443434 785973214 /nfs/dbraw/zinc/97/32/14/785973214.db2.gz NIZSTTSTMZJTBP-VXGBXAGGSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O)N1CCCC1 ZINC001272444159 785973818 /nfs/dbraw/zinc/97/38/18/785973818.db2.gz SKYHZRASZHCWCD-NEPJUHHUSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O)N1CCCC1 ZINC001272444160 785974133 /nfs/dbraw/zinc/97/41/33/785974133.db2.gz SKYHZRASZHCWCD-NWDGAFQWSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O)N1CCCC1 ZINC001272444161 785974280 /nfs/dbraw/zinc/97/42/80/785974280.db2.gz SKYHZRASZHCWCD-RYUDHWBXSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O)N1CCCC1 ZINC001272444163 785973742 /nfs/dbraw/zinc/97/37/42/785973742.db2.gz SKYHZRASZHCWCD-VXGBXAGGSA-N 1 0 326.397 -1.798 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272444825 785974385 /nfs/dbraw/zinc/97/43/85/785974385.db2.gz XCGNABPWKPOZJP-MNOVXSKESA-N 1 0 338.368 -2.107 20 0 EAADRO Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272444828 785974734 /nfs/dbraw/zinc/97/47/34/785974734.db2.gz XCGNABPWKPOZJP-QWRGUYRKSA-N 1 0 338.368 -2.107 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001272444862 785974778 /nfs/dbraw/zinc/97/47/78/785974778.db2.gz XIQLAFZIXXYNOW-GFCCVEGCSA-N 1 0 349.395 -1.631 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001272444865 785974811 /nfs/dbraw/zinc/97/48/11/785974811.db2.gz XIQLAFZIXXYNOW-LBPRGKRZSA-N 1 0 349.395 -1.631 20 0 EAADRO COc1cncc(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)n1 ZINC001272444930 785973830 /nfs/dbraw/zinc/97/38/30/785973830.db2.gz XNFUWZIFHDEMJS-JTQLQIEISA-N 1 0 325.369 -1.437 20 0 EAADRO COc1cncc(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)n1 ZINC001272444932 785974343 /nfs/dbraw/zinc/97/43/43/785974343.db2.gz XNFUWZIFHDEMJS-SNVBAGLBSA-N 1 0 325.369 -1.437 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001272445073 785974654 /nfs/dbraw/zinc/97/46/54/785974654.db2.gz XUIYBRBNWQLFGU-APPZFPTMSA-N 1 0 327.366 -1.692 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001272445078 785974486 /nfs/dbraw/zinc/97/44/86/785974486.db2.gz XUIYBRBNWQLFGU-CBAPKCEASA-N 1 0 327.366 -1.692 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cnc2n1CCC2 ZINC001272445276 785974523 /nfs/dbraw/zinc/97/45/23/785974523.db2.gz YMPVJQZSOWOPLX-NXEZZACHSA-N 1 0 335.364 -1.685 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cnc2n1CCC2 ZINC001272445279 785974767 /nfs/dbraw/zinc/97/47/67/785974767.db2.gz YMPVJQZSOWOPLX-UWVGGRQHSA-N 1 0 335.364 -1.685 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)c1cnc2n1CCC2 ZINC001272445282 785973847 /nfs/dbraw/zinc/97/38/47/785973847.db2.gz YMPVJQZSOWOPLX-VHSXEESVSA-N 1 0 335.364 -1.685 20 0 EAADRO O=C(NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)c1cnc2n1CCC2 ZINC001272445285 785974847 /nfs/dbraw/zinc/97/48/47/785974847.db2.gz YMPVJQZSOWOPLX-ZJUUUORDSA-N 1 0 335.364 -1.685 20 0 EAADRO CC[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CCNC1=O ZINC001272445624 785974647 /nfs/dbraw/zinc/97/46/47/785974647.db2.gz ZZYLZGIOLAYAMY-BLLLJJGKSA-N 1 0 340.424 -1.408 20 0 EAADRO CC[C@]1(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CCNC1=O ZINC001272445625 785973940 /nfs/dbraw/zinc/97/39/40/785973940.db2.gz ZZYLZGIOLAYAMY-LRDDRELGSA-N 1 0 340.424 -1.408 20 0 EAADRO CC[C@@]1(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CCNC1=O ZINC001272445626 785974547 /nfs/dbraw/zinc/97/45/47/785974547.db2.gz ZZYLZGIOLAYAMY-MLGOLLRUSA-N 1 0 340.424 -1.408 20 0 EAADRO CC[C@]1(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CCNC1=O ZINC001272445627 785974541 /nfs/dbraw/zinc/97/45/41/785974541.db2.gz ZZYLZGIOLAYAMY-WBMJQRKESA-N 1 0 340.424 -1.408 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001272448211 785974511 /nfs/dbraw/zinc/97/45/11/785974511.db2.gz CEKDEFGOHGGFIS-AAEUAGOBSA-N 1 0 334.438 -1.134 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001272448212 785973993 /nfs/dbraw/zinc/97/39/93/785973993.db2.gz CEKDEFGOHGGFIS-DGCLKSJQSA-N 1 0 334.438 -1.134 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001272448213 785974507 /nfs/dbraw/zinc/97/45/07/785974507.db2.gz CEKDEFGOHGGFIS-WCQYABFASA-N 1 0 334.438 -1.134 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001272448214 785974749 /nfs/dbraw/zinc/97/47/49/785974749.db2.gz CEKDEFGOHGGFIS-YPMHNXCESA-N 1 0 334.438 -1.134 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)c1ccsn1 ZINC001272450978 785974861 /nfs/dbraw/zinc/97/48/61/785974861.db2.gz CPYKTWMCNQWNMX-SECBINFHSA-N 1 0 341.393 -1.235 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)c1ccsn1 ZINC001272450980 785974500 /nfs/dbraw/zinc/97/45/00/785974500.db2.gz CPYKTWMCNQWNMX-VIFPVBQESA-N 1 0 341.393 -1.235 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCO)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001272451005 785974629 /nfs/dbraw/zinc/97/46/29/785974629.db2.gz DGQKJZOWSPVTRE-AEJSXWLSSA-N 1 0 330.303 -1.218 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCCO)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001272451008 785974790 /nfs/dbraw/zinc/97/47/90/785974790.db2.gz DGQKJZOWSPVTRE-BBBLOLIVSA-N 1 0 330.303 -1.218 20 0 EAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O)S(C)(=O)=O ZINC001272451459 785974366 /nfs/dbraw/zinc/97/43/66/785974366.db2.gz FSCBHLXUOXMMFH-NXEZZACHSA-N 1 0 336.414 -2.489 20 0 EAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O)S(C)(=O)=O ZINC001272451460 785973968 /nfs/dbraw/zinc/97/39/68/785973968.db2.gz FSCBHLXUOXMMFH-UWVGGRQHSA-N 1 0 336.414 -2.489 20 0 EAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O)S(C)(=O)=O ZINC001272451461 785974238 /nfs/dbraw/zinc/97/42/38/785974238.db2.gz FSCBHLXUOXMMFH-VHSXEESVSA-N 1 0 336.414 -2.489 20 0 EAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O)S(C)(=O)=O ZINC001272451462 785973766 /nfs/dbraw/zinc/97/37/66/785973766.db2.gz FSCBHLXUOXMMFH-ZJUUUORDSA-N 1 0 336.414 -2.489 20 0 EAADRO Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]CC[C@H]2CCCCO2)c1=O ZINC001272451477 785974591 /nfs/dbraw/zinc/97/45/91/785974591.db2.gz FVXMVFNMUBODMD-CHWSQXEVSA-N 1 0 341.412 -1.392 20 0 EAADRO Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]CC[C@@H]2CCCCO2)c1=O ZINC001272451478 785974797 /nfs/dbraw/zinc/97/47/97/785974797.db2.gz FVXMVFNMUBODMD-OLZOCXBDSA-N 1 0 341.412 -1.392 20 0 EAADRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]CC[C@H]2CCCCO2)c1=O ZINC001272451479 785974494 /nfs/dbraw/zinc/97/44/94/785974494.db2.gz FVXMVFNMUBODMD-QWHCGFSZSA-N 1 0 341.412 -1.392 20 0 EAADRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]CC[C@@H]2CCCCO2)c1=O ZINC001272451480 785974624 /nfs/dbraw/zinc/97/46/24/785974624.db2.gz FVXMVFNMUBODMD-STQMWFEESA-N 1 0 341.412 -1.392 20 0 EAADRO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)c1Cl ZINC001272451855 785975776 /nfs/dbraw/zinc/97/57/76/785975776.db2.gz GEQZXGHQFPZLTJ-SECBINFHSA-N 1 0 344.803 -1.221 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)c1Cl ZINC001272451857 785975450 /nfs/dbraw/zinc/97/54/50/785975450.db2.gz GEQZXGHQFPZLTJ-VIFPVBQESA-N 1 0 344.803 -1.221 20 0 EAADRO O=C(Cc1ccc(F)cn1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272451947 785975912 /nfs/dbraw/zinc/97/59/12/785975912.db2.gz HAPOAXQRRYUHNH-NEPJUHHUSA-N 1 0 338.339 -1.365 20 0 EAADRO O=C(Cc1ccc(F)cn1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272451948 785975577 /nfs/dbraw/zinc/97/55/77/785975577.db2.gz HAPOAXQRRYUHNH-NWDGAFQWSA-N 1 0 338.339 -1.365 20 0 EAADRO O=C(Cc1ccc(F)cn1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272451949 785975331 /nfs/dbraw/zinc/97/53/31/785975331.db2.gz HAPOAXQRRYUHNH-RYUDHWBXSA-N 1 0 338.339 -1.365 20 0 EAADRO O=C(Cc1ccc(F)cn1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272451950 785975182 /nfs/dbraw/zinc/97/51/82/785975182.db2.gz HAPOAXQRRYUHNH-VXGBXAGGSA-N 1 0 338.339 -1.365 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)cn1 ZINC001272452244 785974618 /nfs/dbraw/zinc/97/46/18/785974618.db2.gz HMVNUNOWTFCVOP-KBPBESRZSA-N 1 0 337.424 -1.102 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)cn1 ZINC001272452250 785974553 /nfs/dbraw/zinc/97/45/53/785974553.db2.gz HMVNUNOWTFCVOP-KGLIPLIRSA-N 1 0 337.424 -1.102 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)cn1 ZINC001272452252 785974303 /nfs/dbraw/zinc/97/43/03/785974303.db2.gz HMVNUNOWTFCVOP-UONOGXRCSA-N 1 0 337.424 -1.102 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)cn1 ZINC001272452255 785974803 /nfs/dbraw/zinc/97/48/03/785974803.db2.gz HMVNUNOWTFCVOP-ZIAGYGMSSA-N 1 0 337.424 -1.102 20 0 EAADRO CN1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC[C@@H]2CCCO2)CC1=O ZINC001272454066 785975215 /nfs/dbraw/zinc/97/52/15/785975215.db2.gz NCBWDGWOCBUVDC-KBPBESRZSA-N 1 0 342.440 -1.604 20 0 EAADRO CN1CCN(CC(=O)NC[C@H](O)C[NH2+]CC[C@@H]2CCCO2)CC1=O ZINC001272454070 785975875 /nfs/dbraw/zinc/97/58/75/785975875.db2.gz NCBWDGWOCBUVDC-KGLIPLIRSA-N 1 0 342.440 -1.604 20 0 EAADRO CN1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC[C@H]2CCCO2)CC1=O ZINC001272454073 785976161 /nfs/dbraw/zinc/97/61/61/785976161.db2.gz NCBWDGWOCBUVDC-UONOGXRCSA-N 1 0 342.440 -1.604 20 0 EAADRO CN1CCN(CC(=O)NC[C@H](O)C[NH2+]CC[C@H]2CCCO2)CC1=O ZINC001272454075 785975999 /nfs/dbraw/zinc/97/59/99/785975999.db2.gz NCBWDGWOCBUVDC-ZIAGYGMSSA-N 1 0 342.440 -1.604 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272454202 785975344 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Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)c1=O ZINC001272455048 785976099 /nfs/dbraw/zinc/97/60/99/785976099.db2.gz QNFALZIAXDWZIM-SECBINFHSA-N 1 0 335.386 -3.307 20 0 EAADRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)c1=O ZINC001272455055 785975401 /nfs/dbraw/zinc/97/54/01/785975401.db2.gz QNFALZIAXDWZIM-VIFPVBQESA-N 1 0 335.386 -3.307 20 0 EAADRO Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]CC=C(Cl)Cl)c1=O ZINC001272455762 785976018 /nfs/dbraw/zinc/97/60/18/785976018.db2.gz VVVCWSUKVHFCHM-MRVPVSSYSA-N 1 0 338.195 -1.033 20 0 EAADRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]CC=C(Cl)Cl)c1=O ZINC001272455763 785976086 /nfs/dbraw/zinc/97/60/86/785976086.db2.gz VVVCWSUKVHFCHM-QMMMGPOBSA-N 1 0 338.195 -1.033 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCNC(=O)C2CC2)CC1=O ZINC001272455856 785975694 /nfs/dbraw/zinc/97/56/94/785975694.db2.gz YIBMWIIUDVPXRW-CHWSQXEVSA-N 1 0 340.424 -1.552 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)C2CC2)CC1=O ZINC001272455857 785976041 /nfs/dbraw/zinc/97/60/41/785976041.db2.gz YIBMWIIUDVPXRW-OLZOCXBDSA-N 1 0 340.424 -1.552 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCNC(=O)C2CC2)CC1=O ZINC001272455858 785975413 /nfs/dbraw/zinc/97/54/13/785975413.db2.gz YIBMWIIUDVPXRW-QWHCGFSZSA-N 1 0 340.424 -1.552 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)C2CC2)CC1=O ZINC001272455859 785975223 /nfs/dbraw/zinc/97/52/23/785975223.db2.gz YIBMWIIUDVPXRW-STQMWFEESA-N 1 0 340.424 -1.552 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)CC1CS(=O)(=O)C1 ZINC001272455892 785975720 /nfs/dbraw/zinc/97/57/20/785975720.db2.gz YXDOFIJXDSSEMP-CYBMUJFWSA-N 1 0 344.437 -1.536 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)CC1CS(=O)(=O)C1 ZINC001272455893 785975824 /nfs/dbraw/zinc/97/58/24/785975824.db2.gz YXDOFIJXDSSEMP-ZDUSSCGKSA-N 1 0 344.437 -1.536 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001272456472 785975848 /nfs/dbraw/zinc/97/58/48/785975848.db2.gz FTHIMIMOBMHBDW-SRVKXCTJSA-N 1 0 342.396 -1.580 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001272456473 785975690 /nfs/dbraw/zinc/97/56/90/785975690.db2.gz FTHIMIMOBMHBDW-WOPDTQHZSA-N 1 0 342.396 -1.580 20 0 EAADRO Cn1ncnc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001272458244 785975586 /nfs/dbraw/zinc/97/55/86/785975586.db2.gz VZEMWOBQZXDVIR-MNOVXSKESA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1ncnc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001272458245 785975866 /nfs/dbraw/zinc/97/58/66/785975866.db2.gz VZEMWOBQZXDVIR-QWRGUYRKSA-N 1 0 349.395 -1.259 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)c1cn2cccnc2n1 ZINC001272460501 785975731 /nfs/dbraw/zinc/97/57/31/785975731.db2.gz BJHWOOPLYIILRJ-LLVKDONJSA-N 1 0 330.352 -1.262 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)c1cn2cccnc2n1 ZINC001272460502 785975476 /nfs/dbraw/zinc/97/54/76/785975476.db2.gz BJHWOOPLYIILRJ-NSHDSACASA-N 1 0 330.352 -1.262 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272460525 785975957 /nfs/dbraw/zinc/97/59/57/785975957.db2.gz CBANHBACZQEOMF-SECBINFHSA-N 1 0 338.355 -1.699 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272460526 785975811 /nfs/dbraw/zinc/97/58/11/785975811.db2.gz CBANHBACZQEOMF-VIFPVBQESA-N 1 0 338.355 -1.699 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)c1cccc2ncnn21 ZINC001272460531 785975543 /nfs/dbraw/zinc/97/55/43/785975543.db2.gz CGNAZAYHASPPDC-JTQLQIEISA-N 1 0 341.393 -1.546 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2ncnn21 ZINC001272460532 785975827 /nfs/dbraw/zinc/97/58/27/785975827.db2.gz CGNAZAYHASPPDC-SNVBAGLBSA-N 1 0 341.393 -1.546 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1)c1cnn[nH]1 ZINC001272460641 785975561 /nfs/dbraw/zinc/97/55/61/785975561.db2.gz FNFDXFYZZMAILO-SECBINFHSA-N 1 0 349.376 -1.245 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1)c1cnn[nH]1 ZINC001272460642 785976068 /nfs/dbraw/zinc/97/60/68/785976068.db2.gz FNFDXFYZZMAILO-VIFPVBQESA-N 1 0 349.376 -1.245 20 0 EAADRO Cc1nnccc1C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001272460763 785977225 /nfs/dbraw/zinc/97/72/25/785977225.db2.gz HZAAMQYNEMOCAS-LLVKDONJSA-N 1 0 345.425 -1.643 20 0 EAADRO Cc1nnccc1C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001272460764 785977280 /nfs/dbraw/zinc/97/72/80/785977280.db2.gz HZAAMQYNEMOCAS-NSHDSACASA-N 1 0 345.425 -1.643 20 0 EAADRO Cc1nnccc1C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001272460811 785977338 /nfs/dbraw/zinc/97/73/38/785977338.db2.gz JCFVXKRCDGMPKY-LLVKDONJSA-N 1 0 330.410 -1.100 20 0 EAADRO Cc1nnccc1C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001272460812 785976582 /nfs/dbraw/zinc/97/65/82/785976582.db2.gz JCFVXKRCDGMPKY-NSHDSACASA-N 1 0 330.410 -1.100 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC001272460935 785977617 /nfs/dbraw/zinc/97/76/17/785977617.db2.gz LBAVHXAZNVVULV-NEPJUHHUSA-N 1 0 340.380 -1.558 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001272460936 785977046 /nfs/dbraw/zinc/97/70/46/785977046.db2.gz LBAVHXAZNVVULV-NWDGAFQWSA-N 1 0 340.380 -1.558 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001272461079 785976848 /nfs/dbraw/zinc/97/68/48/785976848.db2.gz LBAVHXAZNVVULV-RYUDHWBXSA-N 1 0 340.380 -1.558 20 0 EAADRO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC001272461080 785976806 /nfs/dbraw/zinc/97/68/06/785976806.db2.gz LBAVHXAZNVVULV-VXGBXAGGSA-N 1 0 340.380 -1.558 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001272461121 785976796 /nfs/dbraw/zinc/97/67/96/785976796.db2.gz LMJUHHDEUAWAOA-CHWSQXEVSA-N 1 0 334.376 -1.078 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001272461122 785976870 /nfs/dbraw/zinc/97/68/70/785976870.db2.gz LMJUHHDEUAWAOA-OLZOCXBDSA-N 1 0 334.376 -1.078 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001272461123 785977122 /nfs/dbraw/zinc/97/71/22/785977122.db2.gz LMJUHHDEUAWAOA-QWHCGFSZSA-N 1 0 334.376 -1.078 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001272461124 785976696 /nfs/dbraw/zinc/97/66/96/785976696.db2.gz LMJUHHDEUAWAOA-STQMWFEESA-N 1 0 334.376 -1.078 20 0 EAADRO CCc1c(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)cnn1C ZINC001272461333 785977839 /nfs/dbraw/zinc/97/78/39/785977839.db2.gz NCGNYWADGSEDKP-GXSJLCMTSA-N 1 0 337.380 -1.532 20 0 EAADRO CCc1c(C(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)cnn1C ZINC001272461342 785977589 /nfs/dbraw/zinc/97/75/89/785977589.db2.gz NCGNYWADGSEDKP-KOLCDFICSA-N 1 0 337.380 -1.532 20 0 EAADRO CCc1c(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)cnn1C ZINC001272461343 785977641 /nfs/dbraw/zinc/97/76/41/785977641.db2.gz NCGNYWADGSEDKP-MWLCHTKSSA-N 1 0 337.380 -1.532 20 0 EAADRO CCc1c(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)cnn1C ZINC001272461344 785977430 /nfs/dbraw/zinc/97/74/30/785977430.db2.gz NCGNYWADGSEDKP-ONGXEEELSA-N 1 0 337.380 -1.532 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cncn1)c1cnn2c1OCCC2 ZINC001272461608 785976885 /nfs/dbraw/zinc/97/68/85/785976885.db2.gz PVGYQRRKUHCNID-LLVKDONJSA-N 1 0 335.368 -1.362 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)c1cnn2c1OCCC2 ZINC001272461610 785977829 /nfs/dbraw/zinc/97/78/29/785977829.db2.gz PVGYQRRKUHCNID-NSHDSACASA-N 1 0 335.368 -1.362 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272461655 785975278 /nfs/dbraw/zinc/97/52/78/785975278.db2.gz QAEQTQJKVSSAHF-MRVPVSSYSA-N 1 0 338.355 -1.651 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272461656 785976169 /nfs/dbraw/zinc/97/61/69/785976169.db2.gz QAEQTQJKVSSAHF-QMMMGPOBSA-N 1 0 338.355 -1.651 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1)NC1CC1 ZINC001272461989 785977308 /nfs/dbraw/zinc/97/73/08/785977308.db2.gz SCAXVFNGYPYORL-CYBMUJFWSA-N 1 0 334.376 -1.030 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)C(=O)Nc1ccccc1)NC1CC1 ZINC001272461990 785976730 /nfs/dbraw/zinc/97/67/30/785976730.db2.gz SCAXVFNGYPYORL-ZDUSSCGKSA-N 1 0 334.376 -1.030 20 0 EAADRO COc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)ccn1 ZINC001272462272 785977632 /nfs/dbraw/zinc/97/76/32/785977632.db2.gz UWFKLHHBPOXWBU-GHMZBOCLSA-N 1 0 336.348 -1.424 20 0 EAADRO COc1cc(C(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)ccn1 ZINC001272462274 785977457 /nfs/dbraw/zinc/97/74/57/785977457.db2.gz UWFKLHHBPOXWBU-MNOVXSKESA-N 1 0 336.348 -1.424 20 0 EAADRO COc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)ccn1 ZINC001272462275 785977187 /nfs/dbraw/zinc/97/71/87/785977187.db2.gz UWFKLHHBPOXWBU-QWRGUYRKSA-N 1 0 336.348 -1.424 20 0 EAADRO COc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)ccn1 ZINC001272462276 785977717 /nfs/dbraw/zinc/97/77/17/785977717.db2.gz UWFKLHHBPOXWBU-WDEREUQCSA-N 1 0 336.348 -1.424 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)CN1CCCNC1=O ZINC001272462303 785977581 /nfs/dbraw/zinc/97/75/81/785977581.db2.gz VIYYEBXESLFRQZ-CYBMUJFWSA-N 1 0 338.412 -1.555 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)CN1CCCNC1=O ZINC001272462306 785977603 /nfs/dbraw/zinc/97/76/03/785977603.db2.gz VIYYEBXESLFRQZ-ZDUSSCGKSA-N 1 0 338.412 -1.555 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1cccc2ncnn21 ZINC001272462370 785977696 /nfs/dbraw/zinc/97/76/96/785977696.db2.gz WLZKFRHEVSUFQY-LLVKDONJSA-N 1 0 347.379 -1.565 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1cccc2ncnn21 ZINC001272462371 785977093 /nfs/dbraw/zinc/97/70/93/785977093.db2.gz WLZKFRHEVSUFQY-NSHDSACASA-N 1 0 347.379 -1.565 20 0 EAADRO Cn1cncc1C(=O)NC[C@H](O)C[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001272462665 785977757 /nfs/dbraw/zinc/97/77/57/785977757.db2.gz XPUIHVIBMQYKRT-LLVKDONJSA-N 1 0 345.363 -1.363 20 0 EAADRO Cn1cncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001272462666 785977785 /nfs/dbraw/zinc/97/77/85/785977785.db2.gz XPUIHVIBMQYKRT-NSHDSACASA-N 1 0 345.363 -1.363 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272462981 785977211 /nfs/dbraw/zinc/97/72/11/785977211.db2.gz ZLTPNQDNSWLYHN-SSDOTTSWSA-N 1 0 331.341 -2.521 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272463015 785977512 /nfs/dbraw/zinc/97/75/12/785977512.db2.gz ZLTPNQDNSWLYHN-ZETCQYMHSA-N 1 0 331.341 -2.521 20 0 EAADRO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)n1 ZINC001272468932 785978923 /nfs/dbraw/zinc/97/89/23/785978923.db2.gz BAYYIVHOCIOJEV-JTQLQIEISA-N 1 0 338.368 -1.809 20 0 EAADRO COc1nccc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)n1 ZINC001272468933 785979352 /nfs/dbraw/zinc/97/93/52/785979352.db2.gz BAYYIVHOCIOJEV-SNVBAGLBSA-N 1 0 338.368 -1.809 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001272469074 785978345 /nfs/dbraw/zinc/97/83/45/785978345.db2.gz DDLAHQCINZMOND-GFCCVEGCSA-N 1 0 337.380 -1.474 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001272469075 785978631 /nfs/dbraw/zinc/97/86/31/785978631.db2.gz DDLAHQCINZMOND-LBPRGKRZSA-N 1 0 337.380 -1.474 20 0 EAADRO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCN2C(=O)CCC2=O)cn1 ZINC001272469157 785978991 /nfs/dbraw/zinc/97/89/91/785978991.db2.gz FTBLGEZJGGBYMV-CYBMUJFWSA-N 1 0 349.391 -1.109 20 0 EAADRO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)CCN2C(=O)CCC2=O)cn1 ZINC001272469159 785979113 /nfs/dbraw/zinc/97/91/13/785979113.db2.gz FTBLGEZJGGBYMV-ZDUSSCGKSA-N 1 0 349.391 -1.109 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)c1ccnc2n[nH]nc21 ZINC001272469178 785978421 /nfs/dbraw/zinc/97/84/21/785978421.db2.gz GEBYBKSVZXLLIH-JTQLQIEISA-N 1 0 330.352 -1.033 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)c1ccnc2n[nH]nc21 ZINC001272469179 785978293 /nfs/dbraw/zinc/97/82/93/785978293.db2.gz GEBYBKSVZXLLIH-SNVBAGLBSA-N 1 0 330.352 -1.033 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc2nccn2c1 ZINC001272469731 785978378 /nfs/dbraw/zinc/97/83/78/785978378.db2.gz LEGCRYVVLXIRSJ-GFCCVEGCSA-N 1 0 330.352 -1.262 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)c1cnc2nccn2c1 ZINC001272469735 785978818 /nfs/dbraw/zinc/97/88/18/785978818.db2.gz LEGCRYVVLXIRSJ-LBPRGKRZSA-N 1 0 330.352 -1.262 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001272470165 785978949 /nfs/dbraw/zinc/97/89/49/785978949.db2.gz NLUBPUSVMNSPMX-GHMZBOCLSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001272470167 785978759 /nfs/dbraw/zinc/97/87/59/785978759.db2.gz NLUBPUSVMNSPMX-MNOVXSKESA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001272470170 785979289 /nfs/dbraw/zinc/97/92/89/785979289.db2.gz NLUBPUSVMNSPMX-QWRGUYRKSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(CCN1C(=O)CCC1=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001272470173 785978789 /nfs/dbraw/zinc/97/87/89/785978789.db2.gz NLUBPUSVMNSPMX-WDEREUQCSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC001272470362 785978561 /nfs/dbraw/zinc/97/85/61/785978561.db2.gz ORKDBDQJUJMUKO-NEPJUHHUSA-N 1 0 330.410 -1.616 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC001272470364 785979142 /nfs/dbraw/zinc/97/91/42/785979142.db2.gz ORKDBDQJUJMUKO-NWDGAFQWSA-N 1 0 330.410 -1.616 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC001272470367 785979050 /nfs/dbraw/zinc/97/90/50/785979050.db2.gz ORKDBDQJUJMUKO-RYUDHWBXSA-N 1 0 330.410 -1.616 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC001272470370 785978695 /nfs/dbraw/zinc/97/86/95/785978695.db2.gz ORKDBDQJUJMUKO-VXGBXAGGSA-N 1 0 330.410 -1.616 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1cnc2nccn2c1 ZINC001272471127 785978799 /nfs/dbraw/zinc/97/87/99/785978799.db2.gz SVJPTZYACKXXLS-GFCCVEGCSA-N 1 0 347.379 -1.565 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1cnc2nccn2c1 ZINC001272471129 785979188 /nfs/dbraw/zinc/97/91/88/785979188.db2.gz SVJPTZYACKXXLS-LBPRGKRZSA-N 1 0 347.379 -1.565 20 0 EAADRO COc1nccc(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)n1 ZINC001272471170 785978265 /nfs/dbraw/zinc/97/82/65/785978265.db2.gz UGQAFUMLGURQLW-SECBINFHSA-N 1 0 332.382 -1.790 20 0 EAADRO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)n1 ZINC001272471175 785979220 /nfs/dbraw/zinc/97/92/20/785979220.db2.gz UGQAFUMLGURQLW-VIFPVBQESA-N 1 0 332.382 -1.790 20 0 EAADRO Cn1ccc(=O)c(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)c1 ZINC001272471904 785979105 /nfs/dbraw/zinc/97/91/05/785979105.db2.gz XNRHEEDSUJBGMS-GFCCVEGCSA-N 1 0 336.392 -1.312 20 0 EAADRO Cn1ccc(=O)c(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)c1 ZINC001272471905 785979065 /nfs/dbraw/zinc/97/90/65/785979065.db2.gz XNRHEEDSUJBGMS-LBPRGKRZSA-N 1 0 336.392 -1.312 20 0 EAADRO COc1ccc(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)cn1 ZINC001272471914 785979150 /nfs/dbraw/zinc/97/91/50/785979150.db2.gz XSHHYJZZTNCZBZ-LLVKDONJSA-N 1 0 331.394 -1.185 20 0 EAADRO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)cn1 ZINC001272471915 785979249 /nfs/dbraw/zinc/97/92/49/785979249.db2.gz XSHHYJZZTNCZBZ-NSHDSACASA-N 1 0 331.394 -1.185 20 0 EAADRO Cn1c(Cl)ncc1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001272472172 785978474 /nfs/dbraw/zinc/97/84/74/785978474.db2.gz YVXYCHHSAIWUHY-MRVPVSSYSA-N 1 0 338.817 -1.202 20 0 EAADRO Cn1c(Cl)ncc1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001272472175 785978829 /nfs/dbraw/zinc/97/88/29/785978829.db2.gz YVXYCHHSAIWUHY-QMMMGPOBSA-N 1 0 338.817 -1.202 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001272472180 785978316 /nfs/dbraw/zinc/97/83/16/785978316.db2.gz YYHMXIWRFHKEIB-LLVKDONJSA-N 1 0 330.352 -1.262 20 0 EAADRO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001272472181 785979315 /nfs/dbraw/zinc/97/93/15/785979315.db2.gz YYHMXIWRFHKEIB-NSHDSACASA-N 1 0 330.352 -1.262 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272473844 785979167 /nfs/dbraw/zinc/97/91/67/785979167.db2.gz BRNRUSVPRSSASO-JTQLQIEISA-N 1 0 348.425 -1.556 20 0 EAADRO CS(=O)(=O)CCC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272473846 785978686 /nfs/dbraw/zinc/97/86/86/785978686.db2.gz BRNRUSVPRSSASO-SNVBAGLBSA-N 1 0 348.425 -1.556 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@@H](CC[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001272474256 785978868 /nfs/dbraw/zinc/97/88/68/785978868.db2.gz FTDNANYOCAFAJQ-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cnn(CC(=O)N2CC[C@H](CC[NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001272474259 785978586 /nfs/dbraw/zinc/97/85/86/785978586.db2.gz FTDNANYOCAFAJQ-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)CC1=O ZINC001272476319 785979174 /nfs/dbraw/zinc/97/91/74/785979174.db2.gz RPMLHHXRLQBKAQ-GFCCVEGCSA-N 1 0 325.413 -1.926 20 0 EAADRO CN1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)CC1=O ZINC001272476322 785978845 /nfs/dbraw/zinc/97/88/45/785978845.db2.gz RPMLHHXRLQBKAQ-LBPRGKRZSA-N 1 0 325.413 -1.926 20 0 EAADRO C[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001272477660 785980538 /nfs/dbraw/zinc/98/05/38/785980538.db2.gz XNDATOXADWIZSX-NXEZZACHSA-N 1 0 348.425 -1.557 20 0 EAADRO C[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001272477661 785980063 /nfs/dbraw/zinc/98/00/63/785980063.db2.gz XNDATOXADWIZSX-UWVGGRQHSA-N 1 0 348.425 -1.557 20 0 EAADRO C[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001272477662 785980035 /nfs/dbraw/zinc/98/00/35/785980035.db2.gz XNDATOXADWIZSX-VHSXEESVSA-N 1 0 348.425 -1.557 20 0 EAADRO C[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC001272477663 785979630 /nfs/dbraw/zinc/97/96/30/785979630.db2.gz XNDATOXADWIZSX-ZJUUUORDSA-N 1 0 348.425 -1.557 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)c1cc(F)c[nH]1 ZINC001272478727 785980378 /nfs/dbraw/zinc/98/03/78/785980378.db2.gz BRVFCHSOVLDWDG-JTQLQIEISA-N 1 0 341.343 -1.224 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)c1cc(F)c[nH]1 ZINC001272478729 785980321 /nfs/dbraw/zinc/98/03/21/785980321.db2.gz BRVFCHSOVLDWDG-SNVBAGLBSA-N 1 0 341.343 -1.224 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C/C=C\Cl)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001272479290 785980314 /nfs/dbraw/zinc/98/03/14/785980314.db2.gz HCSXDAFKMZDTNU-ABKJGRNXSA-N 1 0 339.801 -2.281 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C/C=C\Cl)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001272479291 785980465 /nfs/dbraw/zinc/98/04/65/785980465.db2.gz HCSXDAFKMZDTNU-FXFPHERDSA-N 1 0 339.801 -2.281 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]C/C=C/Cl)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001272479292 785980433 /nfs/dbraw/zinc/98/04/33/785980433.db2.gz HCSXDAFKMZDTNU-NFXAZMQOSA-N 1 0 339.801 -2.281 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]C/C=C/Cl)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001272479293 785979902 /nfs/dbraw/zinc/97/99/02/785979902.db2.gz HCSXDAFKMZDTNU-XOINZRLQSA-N 1 0 339.801 -2.281 20 0 EAADRO Cc1cncn1CC(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272479674 785980490 /nfs/dbraw/zinc/98/04/90/785980490.db2.gz PDZGTSFCJORMDT-LLVKDONJSA-N 1 0 338.368 -2.190 20 0 EAADRO Cc1cncn1CC(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272479675 785980354 /nfs/dbraw/zinc/98/03/54/785980354.db2.gz PDZGTSFCJORMDT-NSHDSACASA-N 1 0 338.368 -2.190 20 0 EAADRO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnc3c(c2)nnn3C)cn1 ZINC001272479682 785980347 /nfs/dbraw/zinc/98/03/47/785980347.db2.gz PJAMEPKBRKZJDY-GFCCVEGCSA-N 1 0 344.379 -1.023 20 0 EAADRO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnc3c(c2)nnn3C)cn1 ZINC001272479683 785980238 /nfs/dbraw/zinc/98/02/38/785980238.db2.gz PJAMEPKBRKZJDY-LBPRGKRZSA-N 1 0 344.379 -1.023 20 0 EAADRO CC(C)CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001272479880 785979817 /nfs/dbraw/zinc/97/98/17/785979817.db2.gz TVXAOKURPSRVFW-NEPJUHHUSA-N 1 0 349.453 -1.598 20 0 EAADRO CC(C)CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001272479881 785980576 /nfs/dbraw/zinc/98/05/76/785980576.db2.gz TVXAOKURPSRVFW-RYUDHWBXSA-N 1 0 349.453 -1.598 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001272485077 785980247 /nfs/dbraw/zinc/98/02/47/785980247.db2.gz CJZDGOHZSYWZAN-JTQLQIEISA-N 1 0 330.414 -1.204 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001272485079 785980527 /nfs/dbraw/zinc/98/05/27/785980527.db2.gz CJZDGOHZSYWZAN-SNVBAGLBSA-N 1 0 330.414 -1.204 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)c1csnn1 ZINC001272486876 785979738 /nfs/dbraw/zinc/97/97/38/785979738.db2.gz AMCYODOOYKNHAO-SECBINFHSA-N 1 0 330.414 -1.074 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)c1csnn1 ZINC001272486877 785980107 /nfs/dbraw/zinc/98/01/07/785980107.db2.gz AMCYODOOYKNHAO-VIFPVBQESA-N 1 0 330.414 -1.074 20 0 EAADRO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001272486882 785980164 /nfs/dbraw/zinc/98/01/64/785980164.db2.gz ANKWKENWXPIGGK-JTQLQIEISA-N 1 0 340.384 -1.866 20 0 EAADRO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001272486883 785979893 /nfs/dbraw/zinc/97/98/93/785979893.db2.gz ANKWKENWXPIGGK-SNVBAGLBSA-N 1 0 340.384 -1.866 20 0 EAADRO Cc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272487932 785980473 /nfs/dbraw/zinc/98/04/73/785980473.db2.gz IUUVMVUWIFHIGS-JTQLQIEISA-N 1 0 338.368 -1.660 20 0 EAADRO Cc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272487933 785979646 /nfs/dbraw/zinc/97/96/46/785979646.db2.gz IUUVMVUWIFHIGS-SNVBAGLBSA-N 1 0 338.368 -1.660 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@H]1CCNC(=O)CC1 ZINC001272488068 785980384 /nfs/dbraw/zinc/98/03/84/785980384.db2.gz JVLNGDHZSCMXKW-NEPJUHHUSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1CCNC(=O)CC1 ZINC001272488069 785980207 /nfs/dbraw/zinc/98/02/07/785980207.db2.gz JVLNGDHZSCMXKW-NWDGAFQWSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1CCNC(=O)CC1 ZINC001272488071 785980041 /nfs/dbraw/zinc/98/00/41/785980041.db2.gz JVLNGDHZSCMXKW-RYUDHWBXSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@H]1CCNC(=O)CC1 ZINC001272488074 785980286 /nfs/dbraw/zinc/98/02/86/785980286.db2.gz JVLNGDHZSCMXKW-VXGBXAGGSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1cnn2cccnc12 ZINC001272488318 785980090 /nfs/dbraw/zinc/98/00/90/785980090.db2.gz MPJWFYZVVPFLEF-LLVKDONJSA-N 1 0 347.379 -1.565 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1cnn2cccnc12 ZINC001272488319 785980368 /nfs/dbraw/zinc/98/03/68/785980368.db2.gz MPJWFYZVVPFLEF-NSHDSACASA-N 1 0 347.379 -1.565 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)c1cnco1 ZINC001272488615 785979829 /nfs/dbraw/zinc/97/98/29/785979829.db2.gz PPZACCDPQUVOIK-SECBINFHSA-N 1 0 325.325 -1.703 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)c1cnco1 ZINC001272488616 785980330 /nfs/dbraw/zinc/98/03/30/785980330.db2.gz PPZACCDPQUVOIK-VIFPVBQESA-N 1 0 325.325 -1.703 20 0 EAADRO COc1ccnc(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)c1 ZINC001272488651 785979666 /nfs/dbraw/zinc/97/96/66/785979666.db2.gz QDMZKVAOGNFVMD-JTQLQIEISA-N 1 0 331.394 -1.185 20 0 EAADRO COc1ccnc(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)c1 ZINC001272488652 785980559 /nfs/dbraw/zinc/98/05/59/785980559.db2.gz QDMZKVAOGNFVMD-SNVBAGLBSA-N 1 0 331.394 -1.185 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272488697 785980534 /nfs/dbraw/zinc/98/05/34/785980534.db2.gz RAPAPLXAZOVYJW-NEPJUHHUSA-N 1 0 345.425 -1.688 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001272488698 785980518 /nfs/dbraw/zinc/98/05/18/785980518.db2.gz RAPAPLXAZOVYJW-NWDGAFQWSA-N 1 0 345.425 -1.688 20 0 EAADRO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001272488699 785980172 /nfs/dbraw/zinc/98/01/72/785980172.db2.gz RAPAPLXAZOVYJW-RYUDHWBXSA-N 1 0 345.425 -1.688 20 0 EAADRO O=C(C[C@H]1CCCS1(=O)=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272488700 785979964 /nfs/dbraw/zinc/97/99/64/785979964.db2.gz RAPAPLXAZOVYJW-VXGBXAGGSA-N 1 0 345.425 -1.688 20 0 EAADRO Cc1nccc(CCC(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001272488869 785980505 /nfs/dbraw/zinc/98/05/05/785980505.db2.gz VJLBAPKFILKVFC-CHWSQXEVSA-N 1 0 349.391 -1.410 20 0 EAADRO Cc1nccc(CCC(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001272488870 785980397 /nfs/dbraw/zinc/98/03/97/785980397.db2.gz VJLBAPKFILKVFC-OLZOCXBDSA-N 1 0 349.391 -1.410 20 0 EAADRO Cc1nccc(CCC(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001272488871 785980076 /nfs/dbraw/zinc/98/00/76/785980076.db2.gz VJLBAPKFILKVFC-QWHCGFSZSA-N 1 0 349.391 -1.410 20 0 EAADRO Cc1nccc(CCC(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001272488872 785980141 /nfs/dbraw/zinc/98/01/41/785980141.db2.gz VJLBAPKFILKVFC-STQMWFEESA-N 1 0 349.391 -1.410 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]C[C@@H](O)CNC(=O)c2cnco2)C1=O ZINC001272488959 785980484 /nfs/dbraw/zinc/98/04/84/785980484.db2.gz XLHLIBJGJCPUOS-SECBINFHSA-N 1 0 339.352 -1.315 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]C[C@H](O)CNC(=O)c2cnco2)C1=O ZINC001272488960 785980329 /nfs/dbraw/zinc/98/03/29/785980329.db2.gz XLHLIBJGJCPUOS-VIFPVBQESA-N 1 0 339.352 -1.315 20 0 EAADRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn2cccnc12 ZINC001272489055 785979949 /nfs/dbraw/zinc/97/99/49/785979949.db2.gz YXYHHOYPAQZLDX-LLVKDONJSA-N 1 0 330.352 -1.262 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)c1cnn2cccnc12 ZINC001272489057 785980448 /nfs/dbraw/zinc/98/04/48/785980448.db2.gz YXYHHOYPAQZLDX-NSHDSACASA-N 1 0 330.352 -1.262 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001272489061 785979936 /nfs/dbraw/zinc/97/99/36/785979936.db2.gz ZDUJBNOTZKSYGC-GXTWGEPZSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001272489064 785980387 /nfs/dbraw/zinc/98/03/87/785980387.db2.gz ZDUJBNOTZKSYGC-JSGCOSHPSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001272489065 785980461 /nfs/dbraw/zinc/98/04/61/785980461.db2.gz ZDUJBNOTZKSYGC-OCCSQVGLSA-N 1 0 337.424 -1.054 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001272489066 785980103 /nfs/dbraw/zinc/98/01/03/785980103.db2.gz ZDUJBNOTZKSYGC-TZMCWYRMSA-N 1 0 337.424 -1.054 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]CCc1cccs1 ZINC001272495499 785981521 /nfs/dbraw/zinc/98/15/21/785981521.db2.gz FYKAXQKEUXYZHF-GFCCVEGCSA-N 1 0 340.449 -1.211 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]CCc1cccs1 ZINC001272495500 785981043 /nfs/dbraw/zinc/98/10/43/785981043.db2.gz FYKAXQKEUXYZHF-LBPRGKRZSA-N 1 0 340.449 -1.211 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)NC1=O ZINC001272495965 785981722 /nfs/dbraw/zinc/98/17/22/785981722.db2.gz KDKFOIYJFNSYGC-NXEZZACHSA-N 1 0 328.373 -2.898 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)NC1=O ZINC001272495967 785981556 /nfs/dbraw/zinc/98/15/56/785981556.db2.gz KDKFOIYJFNSYGC-UWVGGRQHSA-N 1 0 328.373 -2.898 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)NC1=O ZINC001272495970 785981854 /nfs/dbraw/zinc/98/18/54/785981854.db2.gz KDKFOIYJFNSYGC-VHSXEESVSA-N 1 0 328.373 -2.898 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)NC1=O ZINC001272495972 785982116 /nfs/dbraw/zinc/98/21/16/785982116.db2.gz KDKFOIYJFNSYGC-ZJUUUORDSA-N 1 0 328.373 -2.898 20 0 EAADRO Cc1nc(CC[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)cs1 ZINC001272496054 785982014 /nfs/dbraw/zinc/98/20/14/785982014.db2.gz KXJUUOVVJYSQOP-JTQLQIEISA-N 1 0 325.398 -1.102 20 0 EAADRO Cc1nc(CC[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)cs1 ZINC001272496056 785981784 /nfs/dbraw/zinc/98/17/84/785981784.db2.gz KXJUUOVVJYSQOP-SNVBAGLBSA-N 1 0 325.398 -1.102 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O)NCC1CCC1 ZINC001272496557 785980981 /nfs/dbraw/zinc/98/09/81/785980981.db2.gz PEGBSWBJMAQRQC-NEPJUHHUSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O)NCC1CCC1 ZINC001272496558 785981481 /nfs/dbraw/zinc/98/14/81/785981481.db2.gz PEGBSWBJMAQRQC-NWDGAFQWSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O)NCC1CCC1 ZINC001272496559 785981711 /nfs/dbraw/zinc/98/17/11/785981711.db2.gz PEGBSWBJMAQRQC-RYUDHWBXSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O)NCC1CCC1 ZINC001272496560 785981393 /nfs/dbraw/zinc/98/13/93/785981393.db2.gz PEGBSWBJMAQRQC-VXGBXAGGSA-N 1 0 326.397 -1.895 20 0 EAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(F)(F)F ZINC001272496625 785981034 /nfs/dbraw/zinc/98/10/34/785981034.db2.gz QHBOIEIKHRPHOV-HTQZYQBOSA-N 1 0 340.302 -1.197 20 0 EAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(F)(F)F ZINC001272496626 785981101 /nfs/dbraw/zinc/98/11/01/785981101.db2.gz QHBOIEIKHRPHOV-JGVFFNPUSA-N 1 0 340.302 -1.197 20 0 EAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(F)(F)F ZINC001272496627 785981740 /nfs/dbraw/zinc/98/17/40/785981740.db2.gz QHBOIEIKHRPHOV-SFYZADRCSA-N 1 0 340.302 -1.197 20 0 EAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(F)(F)F ZINC001272496628 785982151 /nfs/dbraw/zinc/98/21/51/785982151.db2.gz QHBOIEIKHRPHOV-YUMQZZPRSA-N 1 0 340.302 -1.197 20 0 EAADRO CC[C@@H](F)C(=O)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272496818 785981562 /nfs/dbraw/zinc/98/15/62/785981562.db2.gz RNEVEDRRTDKDLZ-GHMZBOCLSA-N 1 0 325.406 -1.163 20 0 EAADRO CC[C@H](F)C(=O)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272496823 785981124 /nfs/dbraw/zinc/98/11/24/785981124.db2.gz RNEVEDRRTDKDLZ-MNOVXSKESA-N 1 0 325.406 -1.163 20 0 EAADRO CC[C@H](F)C(=O)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272496824 785980883 /nfs/dbraw/zinc/98/08/83/785980883.db2.gz RNEVEDRRTDKDLZ-QWRGUYRKSA-N 1 0 325.406 -1.163 20 0 EAADRO CC[C@@H](F)C(=O)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272496826 785981678 /nfs/dbraw/zinc/98/16/78/785981678.db2.gz RNEVEDRRTDKDLZ-WDEREUQCSA-N 1 0 325.406 -1.163 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)[C@H]1CCNC1=O ZINC001272496985 785982128 /nfs/dbraw/zinc/98/21/28/785982128.db2.gz SUOOXFNFORTHSA-NEPJUHHUSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CCNC1=O ZINC001272496986 785981670 /nfs/dbraw/zinc/98/16/70/785981670.db2.gz SUOOXFNFORTHSA-NWDGAFQWSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)[C@H]1CCNC1=O ZINC001272496987 785981502 /nfs/dbraw/zinc/98/15/02/785981502.db2.gz SUOOXFNFORTHSA-RYUDHWBXSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CCNC1=O ZINC001272496988 785981728 /nfs/dbraw/zinc/98/17/28/785981728.db2.gz SUOOXFNFORTHSA-VXGBXAGGSA-N 1 0 347.437 -1.986 20 0 EAADRO Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001272503392 785981636 /nfs/dbraw/zinc/98/16/36/785981636.db2.gz BYEMUVUGQCRBAU-LLVKDONJSA-N 1 0 344.379 -1.023 20 0 EAADRO Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001272503395 785981698 /nfs/dbraw/zinc/98/16/98/785981698.db2.gz BYEMUVUGQCRBAU-NSHDSACASA-N 1 0 344.379 -1.023 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001272503873 785981759 /nfs/dbraw/zinc/98/17/59/785981759.db2.gz HUFWQMIFPSYWST-JTQLQIEISA-N 1 0 338.368 -1.804 20 0 EAADRO Cc1nc[nH]c(=O)c1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001272503874 785981577 /nfs/dbraw/zinc/98/15/77/785981577.db2.gz HUFWQMIFPSYWST-SNVBAGLBSA-N 1 0 338.368 -1.804 20 0 EAADRO CCn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)cn1 ZINC001272504493 785981402 /nfs/dbraw/zinc/98/14/02/785981402.db2.gz NPXSSRCWOFJNBS-KBPBESRZSA-N 1 0 337.424 -1.010 20 0 EAADRO CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)cn1 ZINC001272504494 785981834 /nfs/dbraw/zinc/98/18/34/785981834.db2.gz NPXSSRCWOFJNBS-KGLIPLIRSA-N 1 0 337.424 -1.010 20 0 EAADRO CCn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C2=O)cn1 ZINC001272504495 785981262 /nfs/dbraw/zinc/98/12/62/785981262.db2.gz NPXSSRCWOFJNBS-UONOGXRCSA-N 1 0 337.424 -1.010 20 0 EAADRO CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C2=O)cn1 ZINC001272504496 785981874 /nfs/dbraw/zinc/98/18/74/785981874.db2.gz NPXSSRCWOFJNBS-ZIAGYGMSSA-N 1 0 337.424 -1.010 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1=O ZINC001272504551 785981221 /nfs/dbraw/zinc/98/12/21/785981221.db2.gz ODMGAZNELAPMGQ-GHMZBOCLSA-N 1 0 328.413 -1.554 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1=O ZINC001272504552 785980907 /nfs/dbraw/zinc/98/09/07/785980907.db2.gz ODMGAZNELAPMGQ-MNOVXSKESA-N 1 0 328.413 -1.554 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1=O ZINC001272504553 785981510 /nfs/dbraw/zinc/98/15/10/785981510.db2.gz ODMGAZNELAPMGQ-QWRGUYRKSA-N 1 0 328.413 -1.554 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1=O ZINC001272504554 785981772 /nfs/dbraw/zinc/98/17/72/785981772.db2.gz ODMGAZNELAPMGQ-WDEREUQCSA-N 1 0 328.413 -1.554 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCCN1CCCC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001272504685 785981472 /nfs/dbraw/zinc/98/14/72/785981472.db2.gz OTVUFGXNCRIVMH-CXTNEJHOSA-N 1 0 325.409 -1.042 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1CCCC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001272504687 785981791 /nfs/dbraw/zinc/98/17/91/785981791.db2.gz OTVUFGXNCRIVMH-RMRHIDDWSA-N 1 0 325.409 -1.042 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc3n(n2)CCC3)C1=O ZINC001272504827 785981141 /nfs/dbraw/zinc/98/11/41/785981141.db2.gz QZFBLVFCLOUFBR-KBPBESRZSA-N 1 0 335.408 -1.126 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc3n(n2)CCC3)C1=O ZINC001272504828 785981242 /nfs/dbraw/zinc/98/12/42/785981242.db2.gz QZFBLVFCLOUFBR-KGLIPLIRSA-N 1 0 335.408 -1.126 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc3n(n2)CCC3)C1=O ZINC001272504829 785981285 /nfs/dbraw/zinc/98/12/85/785981285.db2.gz QZFBLVFCLOUFBR-UONOGXRCSA-N 1 0 335.408 -1.126 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc3n(n2)CCC3)C1=O ZINC001272504830 785981907 /nfs/dbraw/zinc/98/19/07/785981907.db2.gz QZFBLVFCLOUFBR-ZIAGYGMSSA-N 1 0 335.408 -1.126 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)CCC(=O)NC1 ZINC001272505316 785981691 /nfs/dbraw/zinc/98/16/91/785981691.db2.gz WEFOHRLOVPSSPB-BXUZGUMPSA-N 1 0 349.453 -1.596 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)CCC(=O)NC1 ZINC001272505317 785981105 /nfs/dbraw/zinc/98/11/05/785981105.db2.gz WEFOHRLOVPSSPB-FZMZJTMJSA-N 1 0 349.453 -1.596 20 0 EAADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)CCC(=O)NC1 ZINC001272505318 785982045 /nfs/dbraw/zinc/98/20/45/785982045.db2.gz WEFOHRLOVPSSPB-RISCZKNCSA-N 1 0 349.453 -1.596 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)CCC(=O)NC1 ZINC001272505319 785981325 /nfs/dbraw/zinc/98/13/25/785981325.db2.gz WEFOHRLOVPSSPB-SMDDNHRTSA-N 1 0 349.453 -1.596 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC001272511266 785983323 /nfs/dbraw/zinc/98/33/23/785983323.db2.gz ACOQKRPVIGNTMT-DZGCQCFKSA-N 1 0 348.403 -1.194 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC001272511267 785982566 /nfs/dbraw/zinc/98/25/66/785982566.db2.gz ACOQKRPVIGNTMT-HIFRSBDPSA-N 1 0 348.403 -1.194 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC001272511268 785982745 /nfs/dbraw/zinc/98/27/45/785982745.db2.gz ACOQKRPVIGNTMT-UKRRQHHQSA-N 1 0 348.403 -1.194 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC001272511269 785983440 /nfs/dbraw/zinc/98/34/40/785983440.db2.gz ACOQKRPVIGNTMT-ZFWWWQNUSA-N 1 0 348.403 -1.194 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc1ccccc1Cl ZINC001272511354 785982608 /nfs/dbraw/zinc/98/26/08/785982608.db2.gz BRMBAUHNTWHMCB-MRVPVSSYSA-N 1 0 328.756 -1.170 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1Cl ZINC001272511355 785982583 /nfs/dbraw/zinc/98/25/83/785982583.db2.gz BRMBAUHNTWHMCB-QMMMGPOBSA-N 1 0 328.756 -1.170 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)CCC(=O)N1 ZINC001272511520 785982886 /nfs/dbraw/zinc/98/28/86/785982886.db2.gz CXVAANWAFUVBTD-GWCFXTLKSA-N 1 0 335.426 -1.844 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O)CCC(=O)N1 ZINC001272511521 785983092 /nfs/dbraw/zinc/98/30/92/785983092.db2.gz CXVAANWAFUVBTD-MFKMUULPSA-N 1 0 335.426 -1.844 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001272511534 785983240 /nfs/dbraw/zinc/98/32/40/785983240.db2.gz DGTZXCXSKOMEKP-MRVPVSSYSA-N 1 0 325.350 -2.192 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001272511535 785983494 /nfs/dbraw/zinc/98/34/94/785983494.db2.gz DGTZXCXSKOMEKP-QMMMGPOBSA-N 1 0 325.350 -2.192 20 0 EAADRO COc1ncccc1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001272511684 785983329 /nfs/dbraw/zinc/98/33/29/785983329.db2.gz FFCWGFDLQWQIGX-JTQLQIEISA-N 1 0 331.394 -1.185 20 0 EAADRO COc1ncccc1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001272511685 785983384 /nfs/dbraw/zinc/98/33/84/785983384.db2.gz FFCWGFDLQWQIGX-SNVBAGLBSA-N 1 0 331.394 -1.185 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC001272511954 785982708 /nfs/dbraw/zinc/98/27/08/785982708.db2.gz INVDSODMNUBCLH-JTQLQIEISA-N 1 0 329.378 -1.988 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC001272511955 785982440 /nfs/dbraw/zinc/98/24/40/785982440.db2.gz INVDSODMNUBCLH-SNVBAGLBSA-N 1 0 329.378 -1.988 20 0 EAADRO Cc1ccsc1CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O ZINC001272512127 785983194 /nfs/dbraw/zinc/98/31/94/785983194.db2.gz JCHZDICRGNDWEV-SECBINFHSA-N 1 0 328.394 -1.775 20 0 EAADRO Cc1ccsc1CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O ZINC001272512129 785983467 /nfs/dbraw/zinc/98/34/67/785983467.db2.gz JCHZDICRGNDWEV-VIFPVBQESA-N 1 0 328.394 -1.775 20 0 EAADRO CC(C)CC(=O)N1CCC(C[NH2+]C[C@@H](O)CNC(=O)C(N)=O)CC1 ZINC001272512171 785983529 /nfs/dbraw/zinc/98/35/29/785983529.db2.gz JPHKOYVPTMDIOT-CYBMUJFWSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(C)CC(=O)N1CCC(C[NH2+]C[C@H](O)CNC(=O)C(N)=O)CC1 ZINC001272512172 785982933 /nfs/dbraw/zinc/98/29/33/785982933.db2.gz JPHKOYVPTMDIOT-ZDUSSCGKSA-N 1 0 342.440 -1.177 20 0 EAADRO CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1)c1ccccc1 ZINC001272512188 785983448 /nfs/dbraw/zinc/98/34/48/785983448.db2.gz JSVOEQXTLHBKKZ-CYBMUJFWSA-N 1 0 348.403 -1.018 20 0 EAADRO CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1)c1ccccc1 ZINC001272512189 785982507 /nfs/dbraw/zinc/98/25/07/785982507.db2.gz JSVOEQXTLHBKKZ-ZDUSSCGKSA-N 1 0 348.403 -1.018 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001272512222 785983363 /nfs/dbraw/zinc/98/33/63/785983363.db2.gz JYSWUFUKEAIEOW-GHMZBOCLSA-N 1 0 326.397 -1.765 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001272512224 785983078 /nfs/dbraw/zinc/98/30/78/785983078.db2.gz JYSWUFUKEAIEOW-MNOVXSKESA-N 1 0 326.397 -1.765 20 0 EAADRO NC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001272512226 785983086 /nfs/dbraw/zinc/98/30/86/785983086.db2.gz JYSWUFUKEAIEOW-QWRGUYRKSA-N 1 0 326.397 -1.765 20 0 EAADRO NC(=O)C1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001272512228 785983319 /nfs/dbraw/zinc/98/33/19/785983319.db2.gz JYSWUFUKEAIEOW-WDEREUQCSA-N 1 0 326.397 -1.765 20 0 EAADRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC001272512544 785983338 /nfs/dbraw/zinc/98/33/38/785983338.db2.gz KXNZQPWKPNBGQK-MRVPVSSYSA-N 1 0 330.291 -1.545 20 0 EAADRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC001272512549 785983376 /nfs/dbraw/zinc/98/33/76/785983376.db2.gz KXNZQPWKPNBGQK-QMMMGPOBSA-N 1 0 330.291 -1.545 20 0 EAADRO CN(Cc1cccc(F)c1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O ZINC001272512940 785982997 /nfs/dbraw/zinc/98/29/97/785982997.db2.gz MNNWUIOAVYXLPH-GFCCVEGCSA-N 1 0 340.355 -1.664 20 0 EAADRO CN(Cc1cccc(F)c1)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O ZINC001272512941 785984342 /nfs/dbraw/zinc/98/43/42/785984342.db2.gz MNNWUIOAVYXLPH-LBPRGKRZSA-N 1 0 340.355 -1.664 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)Nc1ccc(F)c(F)c1 ZINC001272512944 785984781 /nfs/dbraw/zinc/98/47/81/785984781.db2.gz MPSCJETYNAMSEA-APPZFPTMSA-N 1 0 344.318 -1.156 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C(=O)Nc1ccc(F)c(F)c1 ZINC001272512945 785983947 /nfs/dbraw/zinc/98/39/47/785983947.db2.gz MPSCJETYNAMSEA-CBAPKCEASA-N 1 0 344.318 -1.156 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)Nc1ccc(F)c(F)c1 ZINC001272512946 785983831 /nfs/dbraw/zinc/98/38/31/785983831.db2.gz MPSCJETYNAMSEA-IONNQARKSA-N 1 0 344.318 -1.156 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C(=O)Nc1ccc(F)c(F)c1 ZINC001272512947 785984116 /nfs/dbraw/zinc/98/41/16/785984116.db2.gz MPSCJETYNAMSEA-VXNVDRBHSA-N 1 0 344.318 -1.156 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1)C(=O)NC(C)(C)C ZINC001272513295 785984375 /nfs/dbraw/zinc/98/43/75/785984375.db2.gz OKMFONBACZSDOK-NXEZZACHSA-N 1 0 328.413 -1.378 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1)C(=O)NC(C)(C)C ZINC001272513297 785984690 /nfs/dbraw/zinc/98/46/90/785984690.db2.gz OKMFONBACZSDOK-UWVGGRQHSA-N 1 0 328.413 -1.378 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1)C(=O)NC(C)(C)C ZINC001272513299 785984605 /nfs/dbraw/zinc/98/46/05/785984605.db2.gz OKMFONBACZSDOK-VHSXEESVSA-N 1 0 328.413 -1.378 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1)C(=O)NC(C)(C)C ZINC001272513301 785984017 /nfs/dbraw/zinc/98/40/17/785984017.db2.gz OKMFONBACZSDOK-ZJUUUORDSA-N 1 0 328.413 -1.378 20 0 EAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1)S(C)(=O)=O ZINC001272513340 785984214 /nfs/dbraw/zinc/98/42/14/785984214.db2.gz OTNLVCSIACDPKO-SECBINFHSA-N 1 0 349.413 -2.303 20 0 EAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1)S(C)(=O)=O ZINC001272513341 785984897 /nfs/dbraw/zinc/98/48/97/785984897.db2.gz OTNLVCSIACDPKO-VIFPVBQESA-N 1 0 349.413 -2.303 20 0 EAADRO CCc1ccc(CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O)s1 ZINC001272514437 785984448 /nfs/dbraw/zinc/98/44/48/785984448.db2.gz VRIRBXXPCDMFQI-SECBINFHSA-N 1 0 342.421 -1.521 20 0 EAADRO CCc1ccc(CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O)s1 ZINC001272514450 785984479 /nfs/dbraw/zinc/98/44/79/785984479.db2.gz VRIRBXXPCDMFQI-VIFPVBQESA-N 1 0 342.421 -1.521 20 0 EAADRO Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C2=O)cc1 ZINC001272514566 785984823 /nfs/dbraw/zinc/98/48/23/785984823.db2.gz WMQRHAGNXRIECB-CHWSQXEVSA-N 1 0 334.376 -1.348 20 0 EAADRO Cc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C2=O)cc1 ZINC001272514569 785984461 /nfs/dbraw/zinc/98/44/61/785984461.db2.gz WMQRHAGNXRIECB-OLZOCXBDSA-N 1 0 334.376 -1.348 20 0 EAADRO Cc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C2=O)cc1 ZINC001272514572 785984057 /nfs/dbraw/zinc/98/40/57/785984057.db2.gz WMQRHAGNXRIECB-QWHCGFSZSA-N 1 0 334.376 -1.348 20 0 EAADRO Cc1ccc(N2CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C2=O)cc1 ZINC001272514574 785984267 /nfs/dbraw/zinc/98/42/67/785984267.db2.gz WMQRHAGNXRIECB-STQMWFEESA-N 1 0 334.376 -1.348 20 0 EAADRO Cn1cc(C(=O)NC[C@H](O)C[NH2+]CCCN2CCCC2=O)[nH]c1=O ZINC001272514576 785984789 /nfs/dbraw/zinc/98/47/89/785984789.db2.gz WNDUSWHZZAEXGM-LLVKDONJSA-N 1 0 339.396 -1.182 20 0 EAADRO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]CCCN2CCCC2=O)[nH]c1=O ZINC001272514578 785984754 /nfs/dbraw/zinc/98/47/54/785984754.db2.gz WNDUSWHZZAEXGM-NSHDSACASA-N 1 0 339.396 -1.182 20 0 EAADRO Cc1ccc(CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O)o1 ZINC001272514803 785984719 /nfs/dbraw/zinc/98/47/19/785984719.db2.gz XUMUVMFUUCBZKR-JTQLQIEISA-N 1 0 326.353 -1.902 20 0 EAADRO Cc1ccc(CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O)o1 ZINC001272514806 785984293 /nfs/dbraw/zinc/98/42/93/785984293.db2.gz XUMUVMFUUCBZKR-SNVBAGLBSA-N 1 0 326.353 -1.902 20 0 EAADRO CN(Cc1ccccc1F)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O ZINC001272514910 785984179 /nfs/dbraw/zinc/98/41/79/785984179.db2.gz ZAWCFQCNCHIINX-LLVKDONJSA-N 1 0 340.355 -1.664 20 0 EAADRO CN(Cc1ccccc1F)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O ZINC001272514911 785983925 /nfs/dbraw/zinc/98/39/25/785983925.db2.gz ZAWCFQCNCHIINX-NSHDSACASA-N 1 0 340.355 -1.664 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001272519719 785984407 /nfs/dbraw/zinc/98/44/07/785984407.db2.gz CZLYKTZQAHEDLM-FRRDWIJNSA-N 1 0 339.396 -1.938 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001272519730 785984133 /nfs/dbraw/zinc/98/41/33/785984133.db2.gz CZLYKTZQAHEDLM-RWMBFGLXSA-N 1 0 339.396 -1.938 20 0 EAADRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001272519924 785984868 /nfs/dbraw/zinc/98/48/68/785984868.db2.gz DZLMCANGWGIXMK-ABAIWWIYSA-N 1 0 328.413 -1.552 20 0 EAADRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001272519925 785984797 /nfs/dbraw/zinc/98/47/97/785984797.db2.gz DZLMCANGWGIXMK-IAQYHMDHSA-N 1 0 328.413 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785989813 /nfs/dbraw/zinc/98/98/13/785989813.db2.gz BHWPSTPYLMDISA-KOLCDFICSA-N 1 0 342.396 -1.979 20 0 EAADRO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272543798 785989328 /nfs/dbraw/zinc/98/93/28/785989328.db2.gz BHWPSTPYLMDISA-MWLCHTKSSA-N 1 0 342.396 -1.979 20 0 EAADRO CCCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272543799 785989833 /nfs/dbraw/zinc/98/98/33/785989833.db2.gz BHWPSTPYLMDISA-ONGXEEELSA-N 1 0 342.396 -1.979 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1ccc2nncn2c1 ZINC001272543808 785989523 /nfs/dbraw/zinc/98/95/23/785989523.db2.gz BNBAZQHRWNUVOF-GFCCVEGCSA-N 1 0 347.379 -1.565 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1ccc2nncn2c1 ZINC001272543810 785990103 /nfs/dbraw/zinc/99/01/03/785990103.db2.gz BNBAZQHRWNUVOF-LBPRGKRZSA-N 1 0 347.379 -1.565 20 0 EAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1)NCC1CC1 ZINC001272544158 785989449 /nfs/dbraw/zinc/98/94/49/785989449.db2.gz CYQKGYPHXUEBMF-LLVKDONJSA-N 1 0 340.380 -2.368 20 0 EAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1)NCC1CC1 ZINC001272544160 785989516 /nfs/dbraw/zinc/98/95/16/785989516.db2.gz CYQKGYPHXUEBMF-NSHDSACASA-N 1 0 340.380 -2.368 20 0 EAADRO CCc1nocc1C[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272544164 785989429 /nfs/dbraw/zinc/98/94/29/785989429.db2.gz CZVQLLXXQLFVHG-LLVKDONJSA-N 1 0 338.364 -1.144 20 0 EAADRO CCc1nocc1C[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272544167 785989464 /nfs/dbraw/zinc/98/94/64/785989464.db2.gz CZVQLLXXQLFVHG-NSHDSACASA-N 1 0 338.364 -1.144 20 0 EAADRO NC(=O)C(=O)N1CC[C@@H](CC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001272544577 785990944 /nfs/dbraw/zinc/99/09/44/785990944.db2.gz JPWQNQNFYDQWAC-MRVPVSSYSA-N 1 0 326.382 -1.210 20 0 EAADRO NC(=O)C(=O)N1CC[C@H](CC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001272544580 785990999 /nfs/dbraw/zinc/99/09/99/785990999.db2.gz JPWQNQNFYDQWAC-QMMMGPOBSA-N 1 0 326.382 -1.210 20 0 EAADRO Cn1c(C[NH2+]CC[C@H]2CCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC001272544589 785990583 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Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)ccn1 ZINC001272545104 785991296 /nfs/dbraw/zinc/99/12/96/785991296.db2.gz IOAFMILBHWRPIQ-CYBMUJFWSA-N 1 0 344.437 -1.038 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)ccn1 ZINC001272545105 785990770 /nfs/dbraw/zinc/99/07/70/785990770.db2.gz IOAFMILBHWRPIQ-ZDUSSCGKSA-N 1 0 344.437 -1.038 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCn1cccn1)c1nc2ncccn2n1 ZINC001272545602 785990759 /nfs/dbraw/zinc/99/07/59/785990759.db2.gz NNLOEVDTRBVAMX-LLVKDONJSA-N 1 0 330.352 -1.299 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCn1cccn1)c1nc2ncccn2n1 ZINC001272545603 785991316 /nfs/dbraw/zinc/99/13/16/785991316.db2.gz NNLOEVDTRBVAMX-NSHDSACASA-N 1 0 330.352 -1.299 20 0 EAADRO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001272545640 785990536 /nfs/dbraw/zinc/99/05/36/785990536.db2.gz OMEFWDZEFZIXIK-NXEZZACHSA-N 1 0 326.353 -2.663 20 0 EAADRO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001272545641 785990961 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EAADRO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)n1 ZINC001272545917 785989721 /nfs/dbraw/zinc/98/97/21/785989721.db2.gz PXALPBBWGGBZOB-MNOVXSKESA-N 1 0 345.425 -1.680 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]CC[C@H]2CCS(=O)(=O)C2)n1 ZINC001272545918 785989678 /nfs/dbraw/zinc/98/96/78/785989678.db2.gz PXALPBBWGGBZOB-QWRGUYRKSA-N 1 0 345.425 -1.680 20 0 EAADRO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]CC[C@H]2CCS(=O)(=O)C2)n1 ZINC001272545919 785989747 /nfs/dbraw/zinc/98/97/47/785989747.db2.gz PXALPBBWGGBZOB-WDEREUQCSA-N 1 0 345.425 -1.680 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001272545990 785989508 /nfs/dbraw/zinc/98/95/08/785989508.db2.gz QRNBOKDOHYYXAN-NEPJUHHUSA-N 1 0 340.380 -1.970 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001272545992 785989390 /nfs/dbraw/zinc/98/93/90/785989390.db2.gz QRNBOKDOHYYXAN-NWDGAFQWSA-N 1 0 340.380 -1.970 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001272545995 785989655 /nfs/dbraw/zinc/98/96/55/785989655.db2.gz QRNBOKDOHYYXAN-RYUDHWBXSA-N 1 0 340.380 -1.970 20 0 EAADRO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001272545997 785990858 /nfs/dbraw/zinc/99/08/58/785990858.db2.gz QRNBOKDOHYYXAN-VXGBXAGGSA-N 1 0 340.380 -1.970 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001272546272 785990603 /nfs/dbraw/zinc/99/06/03/785990603.db2.gz RRCJAGKQNOWNNK-LLVKDONJSA-N 1 0 334.442 -1.371 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272546273 785991516 /nfs/dbraw/zinc/99/15/16/785991516.db2.gz RBGYLTSOBHTXLL-GFCCVEGCSA-N 1 0 337.380 -1.918 20 0 EAADRO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001272546274 785991191 /nfs/dbraw/zinc/99/11/91/785991191.db2.gz RRCJAGKQNOWNNK-NSHDSACASA-N 1 0 334.442 -1.371 20 0 EAADRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272546275 785991212 /nfs/dbraw/zinc/99/12/12/785991212.db2.gz RBGYLTSOBHTXLL-LBPRGKRZSA-N 1 0 337.380 -1.918 20 0 EAADRO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C2CC(=O)NC(=O)C2)ncn1 ZINC001272546590 785990624 /nfs/dbraw/zinc/99/06/24/785990624.db2.gz TVIMQGNWAAQBSE-GFCCVEGCSA-N 1 0 335.364 -1.595 20 0 EAADRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C2CC(=O)NC(=O)C2)ncn1 ZINC001272546591 785991400 /nfs/dbraw/zinc/99/14/00/785991400.db2.gz TVIMQGNWAAQBSE-LBPRGKRZSA-N 1 0 335.364 -1.595 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001272546606 785990883 /nfs/dbraw/zinc/99/08/83/785990883.db2.gz UCENLDMQAUKNBU-SECBINFHSA-N 1 0 326.382 -1.283 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001272546607 785990499 /nfs/dbraw/zinc/99/04/99/785990499.db2.gz UCENLDMQAUKNBU-VIFPVBQESA-N 1 0 326.382 -1.283 20 0 EAADRO Cc1nc(C(=O)NC[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)c(C)o1 ZINC001272552068 785990608 /nfs/dbraw/zinc/99/06/08/785990608.db2.gz AXBINWUGYMDXLC-LLVKDONJSA-N 1 0 348.425 -1.137 20 0 EAADRO Cc1nc(C(=O)NC[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)c(C)o1 ZINC001272552069 785991087 /nfs/dbraw/zinc/99/10/87/785991087.db2.gz AXBINWUGYMDXLC-NSHDSACASA-N 1 0 348.425 -1.137 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1c[nH]nc1C1CC1 ZINC001272552074 785990590 /nfs/dbraw/zinc/99/05/90/785990590.db2.gz BBMJEKPEHMMEKJ-LLVKDONJSA-N 1 0 336.396 -1.007 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1c[nH]nc1C1CC1 ZINC001272552075 785991173 /nfs/dbraw/zinc/99/11/73/785991173.db2.gz BBMJEKPEHMMEKJ-NSHDSACASA-N 1 0 336.396 -1.007 20 0 EAADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)CCCOC1 ZINC001272552339 785991320 /nfs/dbraw/zinc/99/13/20/785991320.db2.gz DMTSFBWVHJEOOI-DOMZBBRYSA-N 1 0 328.413 -1.105 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)CCCOC1 ZINC001272552343 785990904 /nfs/dbraw/zinc/99/09/04/785990904.db2.gz DMTSFBWVHJEOOI-IUODEOHRSA-N 1 0 328.413 -1.105 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)CCCOC1 ZINC001272552345 785991108 /nfs/dbraw/zinc/99/11/08/785991108.db2.gz DMTSFBWVHJEOOI-SWLSCSKDSA-N 1 0 328.413 -1.105 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)CCCOC1 ZINC001272552348 785991140 /nfs/dbraw/zinc/99/11/40/785991140.db2.gz DMTSFBWVHJEOOI-WFASDCNBSA-N 1 0 328.413 -1.105 20 0 EAADRO O=C(NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1nccs1 ZINC001272552696 785990653 /nfs/dbraw/zinc/99/06/53/785990653.db2.gz IYZJPDVOAZZXQY-JTQLQIEISA-N 1 0 348.450 -1.141 20 0 EAADRO O=C(NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)c1nccs1 ZINC001272552698 785991235 /nfs/dbraw/zinc/99/12/35/785991235.db2.gz IYZJPDVOAZZXQY-SNVBAGLBSA-N 1 0 348.450 -1.141 20 0 EAADRO CS(=O)(=O)C1(C(=O)NC[C@H](O)C[NH2+]CCn2cccn2)CCC1 ZINC001272552907 785990955 /nfs/dbraw/zinc/99/09/55/785990955.db2.gz LNNSQBCKTWBEIL-GFCCVEGCSA-N 1 0 344.437 -1.083 20 0 EAADRO CS(=O)(=O)C1(C(=O)NC[C@@H](O)C[NH2+]CCn2cccn2)CCC1 ZINC001272552908 785990801 /nfs/dbraw/zinc/99/08/01/785990801.db2.gz LNNSQBCKTWBEIL-LBPRGKRZSA-N 1 0 344.437 -1.083 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)Cc2nonc2C)n1 ZINC001272552949 785991095 /nfs/dbraw/zinc/99/10/95/785991095.db2.gz 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COCCOCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001272555141 785992420 /nfs/dbraw/zinc/99/24/20/785992420.db2.gz KZXGNTGXVKIDSY-CQSZACIVSA-N 1 0 326.441 -1.003 20 0 EAADRO Cn1ncnc1C(=O)N1CCC12CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001272555243 785991923 /nfs/dbraw/zinc/99/19/23/785991923.db2.gz OKADPPZWXRXEKY-GFCCVEGCSA-N 1 0 347.423 -1.512 20 0 EAADRO Cn1ncnc1C(=O)N1CCC12CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001272555245 785992464 /nfs/dbraw/zinc/99/24/64/785992464.db2.gz OKADPPZWXRXEKY-LBPRGKRZSA-N 1 0 347.423 -1.512 20 0 EAADRO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001272555663 785993187 /nfs/dbraw/zinc/99/31/87/785993187.db2.gz PTOBOCQCHUEQPW-KKUMJFAQSA-N 1 0 337.468 -1.004 20 0 EAADRO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001272555665 785993507 /nfs/dbraw/zinc/99/35/07/785993507.db2.gz PTOBOCQCHUEQPW-SOUVJXGZSA-N 1 0 337.468 -1.004 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]Cc2cncs2)C1=O ZINC001272558704 785997615 /nfs/dbraw/zinc/99/76/15/785997615.db2.gz AQMCSSYYQDRKOT-SECBINFHSA-N 1 0 341.393 -1.396 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cncs2)C1=O ZINC001272558705 785997250 /nfs/dbraw/zinc/99/72/50/785997250.db2.gz AQMCSSYYQDRKOT-VIFPVBQESA-N 1 0 341.393 -1.396 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1=O ZINC001272558871 785998303 /nfs/dbraw/zinc/99/83/03/785998303.db2.gz CJHURULBDKHORC-GFCCVEGCSA-N 1 0 335.364 -1.458 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1=O ZINC001272558872 785997856 /nfs/dbraw/zinc/99/78/56/785997856.db2.gz CJHURULBDKHORC-LBPRGKRZSA-N 1 0 335.364 -1.458 20 0 EAADRO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001272558892 785998160 /nfs/dbraw/zinc/99/81/60/785998160.db2.gz CRFDANMUDBBBPI-CYBMUJFWSA-N 1 0 349.391 -1.149 20 0 EAADRO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001272558894 785997843 /nfs/dbraw/zinc/99/78/43/785997843.db2.gz CRFDANMUDBBBPI-ZDUSSCGKSA-N 1 0 349.391 -1.149 20 0 EAADRO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001272560042 785999638 /nfs/dbraw/zinc/99/96/38/785999638.db2.gz NEYQCCPCJRRSKD-JTQLQIEISA-N 1 0 338.368 -1.865 20 0 EAADRO CCn1cnc(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001272560043 785999363 /nfs/dbraw/zinc/99/93/63/785999363.db2.gz NEYQCCPCJRRSKD-SNVBAGLBSA-N 1 0 338.368 -1.865 20 0 EAADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1c[nH]cn1 ZINC001272560060 785999723 /nfs/dbraw/zinc/99/97/23/785999723.db2.gz NMIZPCKWHPQOEG-LLVKDONJSA-N 1 0 338.412 -1.221 20 0 EAADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1c[nH]cn1 ZINC001272560061 785999536 /nfs/dbraw/zinc/99/95/36/785999536.db2.gz NMIZPCKWHPQOEG-NSHDSACASA-N 1 0 338.412 -1.221 20 0 EAADRO CCn1cc(CC(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001272560276 785999580 /nfs/dbraw/zinc/99/95/80/785999580.db2.gz OGCLGUHUURDSCS-NEPJUHHUSA-N 1 0 337.380 -1.683 20 0 EAADRO CCn1cc(CC(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001272560277 785999585 /nfs/dbraw/zinc/99/95/85/785999585.db2.gz OGCLGUHUURDSCS-NWDGAFQWSA-N 1 0 337.380 -1.683 20 0 EAADRO CCn1cc(CC(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001272560279 785999392 /nfs/dbraw/zinc/99/93/92/785999392.db2.gz OGCLGUHUURDSCS-RYUDHWBXSA-N 1 0 337.380 -1.683 20 0 EAADRO CCn1cc(CC(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001272560281 785999557 /nfs/dbraw/zinc/99/95/57/785999557.db2.gz OGCLGUHUURDSCS-VXGBXAGGSA-N 1 0 337.380 -1.683 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)C1=O ZINC001272560290 785999451 /nfs/dbraw/zinc/99/94/51/785999451.db2.gz OKEZPDGOCNEOOY-GHMZBOCLSA-N 1 0 328.369 -2.016 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)C1=O ZINC001272560291 785999276 /nfs/dbraw/zinc/99/92/76/785999276.db2.gz OKEZPDGOCNEOOY-MNOVXSKESA-N 1 0 328.369 -2.016 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCOC2)C1=O ZINC001272560292 785999343 /nfs/dbraw/zinc/99/93/43/785999343.db2.gz OKEZPDGOCNEOOY-QWRGUYRKSA-N 1 0 328.369 -2.016 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCOC2)C1=O ZINC001272560293 786001152 /nfs/dbraw/zinc/00/11/52/786001152.db2.gz OKEZPDGOCNEOOY-WDEREUQCSA-N 1 0 328.369 -2.016 20 0 EAADRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272560317 786001148 /nfs/dbraw/zinc/00/11/48/786001148.db2.gz OPKXQAMWZWSYJB-CHWSQXEVSA-N 1 0 338.412 -1.397 20 0 EAADRO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272560318 786000805 /nfs/dbraw/zinc/00/08/05/786000805.db2.gz OPKXQAMWZWSYJB-OLZOCXBDSA-N 1 0 338.412 -1.397 20 0 EAADRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272560319 786000079 /nfs/dbraw/zinc/00/00/79/786000079.db2.gz OPKXQAMWZWSYJB-QWHCGFSZSA-N 1 0 338.412 -1.397 20 0 EAADRO CCC(=O)N1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272560320 786000580 /nfs/dbraw/zinc/00/05/80/786000580.db2.gz OPKXQAMWZWSYJB-STQMWFEESA-N 1 0 338.412 -1.397 20 0 EAADRO CNC(=O)c1ccc(C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)cn1 ZINC001272560392 786000282 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C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@H]2C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001272628824 786023855 /nfs/dbraw/zinc/02/38/55/786023855.db2.gz IYTAGGFNRVYZMW-UBHSHLNASA-N 1 0 349.431 -1.117 20 0 EAADRO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001272628828 786024138 /nfs/dbraw/zinc/02/41/38/786024138.db2.gz IYTAGGFNRVYZMW-YUTCNCBUSA-N 1 0 349.431 -1.117 20 0 EAADRO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NCc2c[nH]cn2)C1 ZINC001272628917 786023830 /nfs/dbraw/zinc/02/38/30/786023830.db2.gz JUWYARHOUNGTKV-QOFRNUMZSA-N 1 0 333.392 -1.061 20 0 EAADRO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NCCn2ccnn2)C1 ZINC001272629556 786023714 /nfs/dbraw/zinc/02/37/14/786023714.db2.gz NPSNJFWPTMCOJZ-AVGNSLFASA-N 1 0 348.407 -1.692 20 0 EAADRO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NCCn2ccnn2)C1 ZINC001272629557 786024149 /nfs/dbraw/zinc/02/41/49/786024149.db2.gz NPSNJFWPTMCOJZ-XQQFMLRXSA-N 1 0 348.407 -1.692 20 0 EAADRO Cc1nc(CNC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)C[N@H+]2C)C3)no1 ZINC001272629708 786023736 /nfs/dbraw/zinc/02/37/36/786023736.db2.gz PUNHDAOXWUIKLR-KZTGVZKYSA-N 1 0 349.391 -1.092 20 0 EAADRO Cn1nccc1CNC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272630101 786024029 /nfs/dbraw/zinc/02/40/29/786024029.db2.gz SJKKBZDFOCFMHT-LRCAOYNASA-N 1 0 347.419 -1.050 20 0 EAADRO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NCc2c[nH]cn2)C1 ZINC001272630347 786024276 /nfs/dbraw/zinc/02/42/76/786024276.db2.gz UMKGUDBZLJPXOO-AVGNSLFASA-N 1 0 333.392 -1.061 20 0 EAADRO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NCc2c[nH]cn2)C1 ZINC001272630348 786024009 /nfs/dbraw/zinc/02/40/09/786024009.db2.gz UMKGUDBZLJPXOO-XQQFMLRXSA-N 1 0 333.392 -1.061 20 0 EAADRO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001272630682 786023880 /nfs/dbraw/zinc/02/38/80/786023880.db2.gz YGUBKWIYOLWTJL-BKTMZONDSA-N 1 0 349.431 -1.117 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001272632766 786024524 /nfs/dbraw/zinc/02/45/24/786024524.db2.gz KSCWHYJGYYHXRL-GFCCVEGCSA-N 1 0 349.395 -1.342 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001272632767 786024600 /nfs/dbraw/zinc/02/46/00/786024600.db2.gz KSCWHYJGYYHXRL-LBPRGKRZSA-N 1 0 349.395 -1.342 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001272633508 786024507 /nfs/dbraw/zinc/02/45/07/786024507.db2.gz UHQZXIUURVPKBW-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001272633538 786024434 /nfs/dbraw/zinc/02/44/34/786024434.db2.gz UHQZXIUURVPKBW-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001272633539 786024455 /nfs/dbraw/zinc/02/44/55/786024455.db2.gz UHQZXIUURVPKBW-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001272633540 786024952 /nfs/dbraw/zinc/02/49/52/786024952.db2.gz UHQZXIUURVPKBW-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NCC(F)(F)F)NC(=O)Cn1cnnn1 ZINC001272636127 786024802 /nfs/dbraw/zinc/02/48/02/786024802.db2.gz AESSOTZGDYBXFL-MRVPVSSYSA-N 1 0 337.306 -1.164 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NCC(F)(F)F)NC(=O)Cn1cnnn1 ZINC001272636132 786024760 /nfs/dbraw/zinc/02/47/60/786024760.db2.gz AESSOTZGDYBXFL-QMMMGPOBSA-N 1 0 337.306 -1.164 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnn(C)c1 ZINC001272639354 786024606 /nfs/dbraw/zinc/02/46/06/786024606.db2.gz UZVBUNYKXAUBRH-LLVKDONJSA-N 1 0 336.396 -1.524 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnn(C)c1 ZINC001272639355 786024972 /nfs/dbraw/zinc/02/49/72/786024972.db2.gz UZVBUNYKXAUBRH-NSHDSACASA-N 1 0 336.396 -1.524 20 0 EAADRO C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001272640094 786024593 /nfs/dbraw/zinc/02/45/93/786024593.db2.gz ZAOMPIIVADGPQA-SECBINFHSA-N 1 0 331.398 -1.171 20 0 EAADRO C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001272640095 786024866 /nfs/dbraw/zinc/02/48/66/786024866.db2.gz ZAOMPIIVADGPQA-VIFPVBQESA-N 1 0 331.398 -1.171 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001272642959 786025530 /nfs/dbraw/zinc/02/55/30/786025530.db2.gz ZPMZROYVSDMIJL-NEPJUHHUSA-N 1 0 346.453 -1.358 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001272642961 786025139 /nfs/dbraw/zinc/02/51/39/786025139.db2.gz ZPMZROYVSDMIJL-NWDGAFQWSA-N 1 0 346.453 -1.358 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001272642963 786025422 /nfs/dbraw/zinc/02/54/22/786025422.db2.gz ZPMZROYVSDMIJL-RYUDHWBXSA-N 1 0 346.453 -1.358 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001272642964 786025311 /nfs/dbraw/zinc/02/53/11/786025311.db2.gz ZPMZROYVSDMIJL-VXGBXAGGSA-N 1 0 346.453 -1.358 20 0 EAADRO C[C@H](CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)Cn1cccn1 ZINC001272645649 786026687 /nfs/dbraw/zinc/02/66/87/786026687.db2.gz ALNYDVXLMNTZJS-GFCCVEGCSA-N 1 0 348.407 -1.035 20 0 EAADRO C[C@@H](CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)Cn1cccn1 ZINC001272645650 786026638 /nfs/dbraw/zinc/02/66/38/786026638.db2.gz ALNYDVXLMNTZJS-LBPRGKRZSA-N 1 0 348.407 -1.035 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001272651285 786026453 /nfs/dbraw/zinc/02/64/53/786026453.db2.gz CUMIBTYSNWCISJ-LLVKDONJSA-N 1 0 341.412 -1.074 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001272651287 786026434 /nfs/dbraw/zinc/02/64/34/786026434.db2.gz CUMIBTYSNWCISJ-NSHDSACASA-N 1 0 341.412 -1.074 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001272654356 786026820 /nfs/dbraw/zinc/02/68/20/786026820.db2.gz XACBCSMNHVAEKG-LLVKDONJSA-N 1 0 334.442 -1.419 20 0 EAADRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001272654357 786026870 /nfs/dbraw/zinc/02/68/70/786026870.db2.gz XACBCSMNHVAEKG-NSHDSACASA-N 1 0 334.442 -1.419 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272657648 786027507 /nfs/dbraw/zinc/02/75/07/786027507.db2.gz OLBSXIADZXIHHX-LLVKDONJSA-N 1 0 341.412 -2.093 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272657649 786027451 /nfs/dbraw/zinc/02/74/51/786027451.db2.gz OLBSXIADZXIHHX-NSHDSACASA-N 1 0 341.412 -2.093 20 0 EAADRO C[NH+](C)CCN1CC2(CN(CCN3CCOCC3)C2)OCC1=O ZINC001272660501 786027510 /nfs/dbraw/zinc/02/75/10/786027510.db2.gz BAXAUWRSIIWVCB-UHFFFAOYSA-N 1 0 326.441 -1.207 20 0 EAADRO Cn1nnnc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001272660898 786027428 /nfs/dbraw/zinc/02/74/28/786027428.db2.gz AVNPWXOGJUKCAX-GHMZBOCLSA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1nnnc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001272660900 786027291 /nfs/dbraw/zinc/02/72/91/786027291.db2.gz AVNPWXOGJUKCAX-MNOVXSKESA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1nnnc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001272660902 786027322 /nfs/dbraw/zinc/02/73/22/786027322.db2.gz AVNPWXOGJUKCAX-QWRGUYRKSA-N 1 0 349.395 -1.409 20 0 EAADRO Cn1nnnc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001272660905 786027435 /nfs/dbraw/zinc/02/74/35/786027435.db2.gz AVNPWXOGJUKCAX-WDEREUQCSA-N 1 0 349.395 -1.409 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(CCN1CCOCC1)C2 ZINC001272662394 786027942 /nfs/dbraw/zinc/02/79/42/786027942.db2.gz YPQIAOVGCQJGCR-UHFFFAOYSA-N 1 0 326.441 -1.207 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1COCCO1 ZINC001272665212 786028354 /nfs/dbraw/zinc/02/83/54/786028354.db2.gz IPNUHUPLORTLIF-CMPLNLGQSA-N 1 0 342.396 -1.126 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1COCCO1 ZINC001272665214 786028332 /nfs/dbraw/zinc/02/83/32/786028332.db2.gz IPNUHUPLORTLIF-JQWIXIFHSA-N 1 0 342.396 -1.126 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1COCCO1 ZINC001272665215 786028727 /nfs/dbraw/zinc/02/87/27/786028727.db2.gz IPNUHUPLORTLIF-PWSUYJOCSA-N 1 0 342.396 -1.126 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1COCCO1 ZINC001272665216 786028335 /nfs/dbraw/zinc/02/83/35/786028335.db2.gz IPNUHUPLORTLIF-ZYHUDNBSSA-N 1 0 342.396 -1.126 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnns1 ZINC001272666531 786029353 /nfs/dbraw/zinc/02/93/53/786029353.db2.gz ZFWJYLFTOYCDOH-SECBINFHSA-N 1 0 340.409 -1.406 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnns1 ZINC001272666533 786029133 /nfs/dbraw/zinc/02/91/33/786029133.db2.gz ZFWJYLFTOYCDOH-VIFPVBQESA-N 1 0 340.409 -1.406 20 0 EAADRO C[C@H](CC[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)CS(C)(=O)=O ZINC001272671884 786032913 /nfs/dbraw/zinc/03/29/13/786032913.db2.gz LKGVGVAUXITTOY-GHMZBOCLSA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@H](CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)CS(C)(=O)=O ZINC001272671885 786032881 /nfs/dbraw/zinc/03/28/81/786032881.db2.gz LKGVGVAUXITTOY-MNOVXSKESA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@H](CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)CS(C)(=O)=O ZINC001272671887 786032964 /nfs/dbraw/zinc/03/29/64/786032964.db2.gz LKGVGVAUXITTOY-QWRGUYRKSA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@H](CC[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)CS(C)(=O)=O ZINC001272671888 786032871 /nfs/dbraw/zinc/03/28/71/786032871.db2.gz LKGVGVAUXITTOY-WDEREUQCSA-N 1 0 340.467 -1.050 20 0 EAADRO COC(=O)NCC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272673330 786032916 /nfs/dbraw/zinc/03/29/16/786032916.db2.gz SUSFOVSWTBLLGH-JTQLQIEISA-N 1 0 343.384 -2.215 20 0 EAADRO COC(=O)NCC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272673331 786033022 /nfs/dbraw/zinc/03/30/22/786033022.db2.gz SUSFOVSWTBLLGH-SNVBAGLBSA-N 1 0 343.384 -2.215 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001272677254 786033600 /nfs/dbraw/zinc/03/36/00/786033600.db2.gz XZXVHTZXPBKYAO-XRRVDJEJSA-N 1 0 326.397 -1.443 20 0 EAADRO CO[C@@H](C)CC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272681021 786034689 /nfs/dbraw/zinc/03/46/89/786034689.db2.gz VHRICFSIVACSFJ-NEPJUHHUSA-N 1 0 328.413 -1.146 20 0 EAADRO CO[C@H](C)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272681022 786035261 /nfs/dbraw/zinc/03/52/61/786035261.db2.gz VHRICFSIVACSFJ-NWDGAFQWSA-N 1 0 328.413 -1.146 20 0 EAADRO CO[C@@H](C)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272681024 786034782 /nfs/dbraw/zinc/03/47/82/786034782.db2.gz VHRICFSIVACSFJ-RYUDHWBXSA-N 1 0 328.413 -1.146 20 0 EAADRO CO[C@H](C)CC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272681026 786034969 /nfs/dbraw/zinc/03/49/69/786034969.db2.gz VHRICFSIVACSFJ-VXGBXAGGSA-N 1 0 328.413 -1.146 20 0 EAADRO C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001272720845 786040898 /nfs/dbraw/zinc/04/08/98/786040898.db2.gz KHKFHYOIAKOQPK-GHMZBOCLSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001272720846 786040644 /nfs/dbraw/zinc/04/06/44/786040644.db2.gz KHKFHYOIAKOQPK-MNOVXSKESA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001272720847 786040482 /nfs/dbraw/zinc/04/04/82/786040482.db2.gz KHKFHYOIAKOQPK-QWRGUYRKSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001272720848 786040556 /nfs/dbraw/zinc/04/05/56/786040556.db2.gz KHKFHYOIAKOQPK-WDEREUQCSA-N 1 0 334.442 -1.454 20 0 EAADRO NC(=O)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001272721644 786040563 /nfs/dbraw/zinc/04/05/63/786040563.db2.gz UFNFDVVSTRQVHY-JOCQHMNTSA-N 1 0 340.424 -1.015 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)n1cncn1 ZINC001272728549 786040977 /nfs/dbraw/zinc/04/09/77/786040977.db2.gz JHRSKVHAEGUKCM-NXEZZACHSA-N 1 0 325.373 -1.221 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)n1cncn1 ZINC001272728551 786041180 /nfs/dbraw/zinc/04/11/80/786041180.db2.gz JHRSKVHAEGUKCM-UWVGGRQHSA-N 1 0 325.373 -1.221 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)n1cncn1 ZINC001272728552 786041141 /nfs/dbraw/zinc/04/11/41/786041141.db2.gz JHRSKVHAEGUKCM-VHSXEESVSA-N 1 0 325.373 -1.221 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)n1cncn1 ZINC001272728554 786040958 /nfs/dbraw/zinc/04/09/58/786040958.db2.gz JHRSKVHAEGUKCM-ZJUUUORDSA-N 1 0 325.373 -1.221 20 0 EAADRO CCNC(=O)CC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272731036 786041068 /nfs/dbraw/zinc/04/10/68/786041068.db2.gz XMALBLGZHTYGDT-LLVKDONJSA-N 1 0 341.412 -2.045 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272731037 786041083 /nfs/dbraw/zinc/04/10/83/786041083.db2.gz XMALBLGZHTYGDT-NSHDSACASA-N 1 0 341.412 -2.045 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@H](C)NC(N)=O ZINC001272738175 786042144 /nfs/dbraw/zinc/04/21/44/786042144.db2.gz NSIRVZCCCULOHN-MNOVXSKESA-N 1 0 343.428 -1.177 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@H](C)NC(N)=O ZINC001272738176 786042019 /nfs/dbraw/zinc/04/20/19/786042019.db2.gz NSIRVZCCCULOHN-QWRGUYRKSA-N 1 0 343.428 -1.177 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]CCO)CC1 ZINC001272741780 786042588 /nfs/dbraw/zinc/04/25/88/786042588.db2.gz GOWGJKPSALVLLI-JOCQHMNTSA-N 1 0 328.413 -1.504 20 0 EAADRO NC(=O)C(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001272755690 786111666 /nfs/dbraw/zinc/11/16/66/786111666.db2.gz JGFXCEBMSKGGMN-HAQNSBGRSA-N 1 0 326.397 -1.405 20 0 EAADRO C[C@@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001272755965 786111225 /nfs/dbraw/zinc/11/12/25/786111225.db2.gz FKPVQGLOOXROKB-JTQLQIEISA-N 1 0 332.430 -1.196 20 0 EAADRO C[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001272755966 786111815 /nfs/dbraw/zinc/11/18/15/786111815.db2.gz FKPVQGLOOXROKB-SNVBAGLBSA-N 1 0 332.430 -1.196 20 0 EAADRO C[C@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1cnnn1C ZINC001272757184 786112571 /nfs/dbraw/zinc/11/25/71/786112571.db2.gz QEVPSHQESNOHCH-LLVKDONJSA-N 1 0 344.441 -1.051 20 0 EAADRO C[C@@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1cnnn1C ZINC001272757185 786112621 /nfs/dbraw/zinc/11/26/21/786112621.db2.gz QEVPSHQESNOHCH-NSHDSACASA-N 1 0 344.441 -1.051 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cc1ccn(C)n1 ZINC001272773114 786116172 /nfs/dbraw/zinc/11/61/72/786116172.db2.gz JPRFBZHRTBWWST-LLVKDONJSA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)Cc1ccn(C)n1 ZINC001272773115 786116320 /nfs/dbraw/zinc/11/63/20/786116320.db2.gz JPRFBZHRTBWWST-NSHDSACASA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001272800406 786121209 /nfs/dbraw/zinc/12/12/09/786121209.db2.gz HIYOAHVGNFBLQR-SECBINFHSA-N 1 0 326.440 -1.440 20 0 EAADRO C[C@@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001272800407 786121120 /nfs/dbraw/zinc/12/11/20/786121120.db2.gz HIYOAHVGNFBLQR-VIFPVBQESA-N 1 0 326.440 -1.440 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C1CS(=O)(=O)C1 ZINC001272801683 786121708 /nfs/dbraw/zinc/12/17/08/786121708.db2.gz MELQCCRKEOJZGT-LLVKDONJSA-N 1 0 347.437 -1.626 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C1CS(=O)(=O)C1 ZINC001272801685 786121012 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EAADRO Cn1nncc1C(=O)N1CCCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001272953066 786155857 /nfs/dbraw/zinc/15/58/57/786155857.db2.gz NZPTYUOCZXCBLM-LLVKDONJSA-N 1 0 349.395 -1.049 20 0 EAADRO Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2C[NH2+]CCCO)c1=O ZINC001272967528 786162631 /nfs/dbraw/zinc/16/26/31/786162631.db2.gz AQIJJMZRMXFLQS-CYBMUJFWSA-N 1 0 338.408 -1.100 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001272967822 786162407 /nfs/dbraw/zinc/16/24/07/786162407.db2.gz JYPUGAHNEMYMNG-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO Cn1cnn(CC(=O)N2CCCC[C@@H]2C[NH2+]CCOCCO)c1=O ZINC001272974090 786164421 /nfs/dbraw/zinc/16/44/21/786164421.db2.gz LWOBYRFJZKLFQQ-CYBMUJFWSA-N 1 0 341.412 -1.439 20 0 EAADRO C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001272977991 786165897 /nfs/dbraw/zinc/16/58/97/786165897.db2.gz PAWBADBOJBKNBX-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001272977993 786165798 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CN1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1=O ZINC001272986326 786169224 /nfs/dbraw/zinc/16/92/24/786169224.db2.gz XNACZHHPIHLKAK-GHMZBOCLSA-N 1 0 339.396 -1.370 20 0 EAADRO CN1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1=O ZINC001272986329 786169569 /nfs/dbraw/zinc/16/95/69/786169569.db2.gz XNACZHHPIHLKAK-MNOVXSKESA-N 1 0 339.396 -1.370 20 0 EAADRO C[C@@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001272986997 786168858 /nfs/dbraw/zinc/16/88/58/786168858.db2.gz VIWMNIWWMWXYRL-CMPLNLGQSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001272986998 786169579 /nfs/dbraw/zinc/16/95/79/786169579.db2.gz VIWMNIWWMWXYRL-JQWIXIFHSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001272986999 786169284 /nfs/dbraw/zinc/16/92/84/786169284.db2.gz VIWMNIWWMWXYRL-PWSUYJOCSA-N 1 0 346.453 -1.023 20 0 EAADRO C[C@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001272987000 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336.396 -1.115 20 0 EAADRO C[C@@H](CC[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)NC(=O)C(N)=O ZINC001272993764 786171600 /nfs/dbraw/zinc/17/16/00/786171600.db2.gz JZDMEQGXVKNSLL-WDEREUQCSA-N 1 0 336.396 -1.115 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001272993969 786172027 /nfs/dbraw/zinc/17/20/27/786172027.db2.gz SLIYIQLODFPOLL-GHMZBOCLSA-N 1 0 332.426 -1.317 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001272993970 786171553 /nfs/dbraw/zinc/17/15/53/786171553.db2.gz SLIYIQLODFPOLL-MNOVXSKESA-N 1 0 332.426 -1.317 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CCCCN1C(=O)C(N)=O ZINC001272993975 786171426 /nfs/dbraw/zinc/17/14/26/786171426.db2.gz SNCHMXWCWJDABI-LLVKDONJSA-N 1 0 334.442 -1.228 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1CC1CCOCC1)NC(=O)C(N)=O ZINC001272994111 786172040 /nfs/dbraw/zinc/17/20/40/786172040.db2.gz LYFCZSLXURMYTF-JTQLQIEISA-N 1 0 339.400 -1.431 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1CC1CCOCC1)NC(=O)C(N)=O ZINC001272994116 786171593 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20 0 EAADRO C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001273019031 786179564 /nfs/dbraw/zinc/17/95/64/786179564.db2.gz REFXXPBNUKRBJG-SDDRHHMPSA-N 1 0 341.412 -1.471 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@]1(C)CCNC1=O ZINC001273019326 786179721 /nfs/dbraw/zinc/17/97/21/786179721.db2.gz VLTIWHRYBDYKCM-BMIGLBTASA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@]1(C)CCNC1=O ZINC001273019327 786179757 /nfs/dbraw/zinc/17/97/57/786179757.db2.gz VLTIWHRYBDYKCM-BONVTDFDSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@]1(C)CCNC1=O ZINC001273019328 786180081 /nfs/dbraw/zinc/18/00/81/786180081.db2.gz VLTIWHRYBDYKCM-MEBBXXQBSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@]1(C)CCNC1=O ZINC001273019329 786180200 /nfs/dbraw/zinc/18/02/00/786180200.db2.gz VLTIWHRYBDYKCM-ZUZCIYMTSA-N 1 0 339.396 -1.451 20 0 EAADRO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CN4CCC(=O)C4)CC3)[C@H]2C1 ZINC001273023232 786181020 /nfs/dbraw/zinc/18/10/20/786181020.db2.gz FCXFAJDEDARUCP-KBPBESRZSA-N 1 0 334.420 -1.070 20 0 EAADRO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CN4CCC(=O)C4)CC3)[C@@H]2C1 ZINC001273023233 786181101 /nfs/dbraw/zinc/18/11/01/786181101.db2.gz FCXFAJDEDARUCP-ZIAGYGMSSA-N 1 0 334.420 -1.070 20 0 EAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001273036702 786183296 /nfs/dbraw/zinc/18/32/96/786183296.db2.gz RALDNLZAAOWHET-AXFHLTTASA-N 1 0 328.369 -1.482 20 0 EAADRO NC(=O)CNC(=O)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001273040710 786183335 /nfs/dbraw/zinc/18/33/35/786183335.db2.gz DFQDGXJSPOZNQY-BETUJISGSA-N 1 0 348.407 -1.033 20 0 EAADRO NC(=O)CNC(=O)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001273040850 786183206 /nfs/dbraw/zinc/18/32/06/786183206.db2.gz IAGKGASTJBMOQU-UHFFFAOYSA-N 1 0 348.407 -1.174 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)CCC(=O)NCC(N)=O)C2 ZINC001273041779 786183126 /nfs/dbraw/zinc/18/31/26/786183126.db2.gz AFNHLPLKWUHFQH-OLZOCXBDSA-N 1 0 339.440 -1.538 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)CCC(=O)NCC(N)=O)C2 ZINC001273041872 786183385 /nfs/dbraw/zinc/18/33/85/786183385.db2.gz DEOXVBCNTVETFN-UHFFFAOYSA-N 1 0 325.413 -1.926 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CCC(=O)NCC(N)=O ZINC001273042099 786183311 /nfs/dbraw/zinc/18/33/11/786183311.db2.gz HIIDVGYSIDFTKZ-TXEJJXNPSA-N 1 0 325.413 -1.785 20 0 EAADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NCC(N)=O ZINC001273042187 786183321 /nfs/dbraw/zinc/18/33/21/786183321.db2.gz JRBAEWDCRWFQQE-STQMWFEESA-N 1 0 339.440 -1.395 20 0 EAADRO C[NH+](C)CCN1CCC2(CN(C(=O)CCC(=O)NCC(N)=O)C2)C1 ZINC001273042496 786183501 /nfs/dbraw/zinc/18/35/01/786183501.db2.gz OMZIIGKQEIGGCN-UHFFFAOYSA-N 1 0 339.440 -1.536 20 0 EAADRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)NCC(N)=O ZINC001273042742 786183465 /nfs/dbraw/zinc/18/34/65/786183465.db2.gz SQBGFUUQPXHWAN-BETUJISGSA-N 1 0 339.440 -1.395 20 0 EAADRO C[NH+](C)CCN1CCC12CN(C(=O)CCC(=O)NCC(N)=O)C2 ZINC001273042885 786183218 /nfs/dbraw/zinc/18/32/18/786183218.db2.gz VNNDXFVFPWGLFV-UHFFFAOYSA-N 1 0 325.413 -1.784 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)CCC(=O)NCC(N)=O)[C@@H]2C1 ZINC001273043046 786182937 /nfs/dbraw/zinc/18/29/37/786182937.db2.gz YPVHHMJOTKEMLE-QWHCGFSZSA-N 1 0 339.440 -1.538 20 0 EAADRO NC(=O)CNC(=O)CCC(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001273043089 786183401 /nfs/dbraw/zinc/18/34/01/786183401.db2.gz ZQZODTGKZBIMCD-UHFFFAOYSA-N 1 0 348.407 -1.591 20 0 EAADRO C[C@H](CC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001273043797 786183434 /nfs/dbraw/zinc/18/34/34/786183434.db2.gz HFQQCGLDYGVDLP-KOLCDFICSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](CC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001273043798 786182885 /nfs/dbraw/zinc/18/28/85/786182885.db2.gz HFQQCGLDYGVDLP-ONGXEEELSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001273044563 786183661 /nfs/dbraw/zinc/18/36/61/786183661.db2.gz NNEKAMOYIZHROF-NXEZZACHSA-N 1 0 332.430 -1.263 20 0 EAADRO C[C@@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001273044569 786183286 /nfs/dbraw/zinc/18/32/86/786183286.db2.gz NNEKAMOYIZHROF-UWVGGRQHSA-N 1 0 332.430 -1.263 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CC[NH2+]Cc1ncnn1C ZINC001273044571 786183358 /nfs/dbraw/zinc/18/33/58/786183358.db2.gz NNEKAMOYIZHROF-VHSXEESVSA-N 1 0 332.430 -1.263 20 0 EAADRO C[C@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001273044573 786183632 /nfs/dbraw/zinc/18/36/32/786183632.db2.gz NNEKAMOYIZHROF-ZJUUUORDSA-N 1 0 332.430 -1.263 20 0 EAADRO C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001273044783 786183458 /nfs/dbraw/zinc/18/34/58/786183458.db2.gz OJYARNVBTWNTKL-NXEZZACHSA-N 1 0 332.430 -1.263 20 0 EAADRO C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001273044784 786182919 /nfs/dbraw/zinc/18/29/19/786182919.db2.gz OJYARNVBTWNTKL-UWVGGRQHSA-N 1 0 332.430 -1.263 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CC[NH2+]Cc1cn(C)nn1 ZINC001273044785 786183314 /nfs/dbraw/zinc/18/33/14/786183314.db2.gz OJYARNVBTWNTKL-VHSXEESVSA-N 1 0 332.430 -1.263 20 0 EAADRO C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001273044786 786183165 /nfs/dbraw/zinc/18/31/65/786183165.db2.gz OJYARNVBTWNTKL-ZJUUUORDSA-N 1 0 332.430 -1.263 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@H]2COCCO2)CCC1 ZINC001273047576 786183274 /nfs/dbraw/zinc/18/32/74/786183274.db2.gz IKYPHCHBIHEOLH-LLVKDONJSA-N 1 0 335.426 -1.421 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2COCCO2)CCC1 ZINC001273047578 786183512 /nfs/dbraw/zinc/18/35/12/786183512.db2.gz IKYPHCHBIHEOLH-NSHDSACASA-N 1 0 335.426 -1.421 20 0 EAADRO C[C@@H](CC[NH2+]Cc1ncccn1)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001273051275 786184574 /nfs/dbraw/zinc/18/45/74/786184574.db2.gz ANIGQOPZZYOLJC-JTQLQIEISA-N 1 0 348.363 -1.118 20 0 EAADRO C[C@H](CC[NH2+]Cc1ncccn1)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001273051278 786184281 /nfs/dbraw/zinc/18/42/81/786184281.db2.gz ANIGQOPZZYOLJC-SNVBAGLBSA-N 1 0 348.363 -1.118 20 0 EAADRO C[C@H](CC[NH2+]CCn1cncn1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001273051371 786184469 /nfs/dbraw/zinc/18/44/69/786184469.db2.gz BUDQNHZUCJVJFS-LLVKDONJSA-N 1 0 349.395 -1.526 20 0 EAADRO C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001273051374 786184022 /nfs/dbraw/zinc/18/40/22/786184022.db2.gz BUDQNHZUCJVJFS-NSHDSACASA-N 1 0 349.395 -1.526 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001273052727 786184436 /nfs/dbraw/zinc/18/44/36/786184436.db2.gz OCJGQWABDUHZLA-MNOVXSKESA-N 1 0 342.396 -1.811 20 0 EAADRO COC[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001273052728 786184179 /nfs/dbraw/zinc/18/41/79/786184179.db2.gz OCJGQWABDUHZLA-QWRGUYRKSA-N 1 0 342.396 -1.811 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001273060646 786184352 /nfs/dbraw/zinc/18/43/52/786184352.db2.gz PNRNOZFQJANKDD-JTQLQIEISA-N 1 0 336.458 -1.113 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001273060647 786184256 /nfs/dbraw/zinc/18/42/56/786184256.db2.gz PNRNOZFQJANKDD-SNVBAGLBSA-N 1 0 336.458 -1.113 20 0 EAADRO NC(=O)CC(=O)NCC1([NH2+]CC(=O)NC[C@H]2CCOC2)CCC1 ZINC001273061653 786184068 /nfs/dbraw/zinc/18/40/68/786184068.db2.gz OPZIEJNCMSCRJU-LLVKDONJSA-N 1 0 326.397 -1.357 20 0 EAADRO NC(=O)CC(=O)NCC1([NH2+]CC(=O)NC[C@@H]2CCOC2)CCC1 ZINC001273061654 786184249 /nfs/dbraw/zinc/18/42/49/786184249.db2.gz OPZIEJNCMSCRJU-NSHDSACASA-N 1 0 326.397 -1.357 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001273066181 786185131 /nfs/dbraw/zinc/18/51/31/786185131.db2.gz AHEITJAISMPZDT-CHWSQXEVSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001273066182 786185841 /nfs/dbraw/zinc/18/58/41/786185841.db2.gz AHEITJAISMPZDT-OLZOCXBDSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001273066183 786185625 /nfs/dbraw/zinc/18/56/25/786185625.db2.gz AHEITJAISMPZDT-QWHCGFSZSA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001273066184 786185942 /nfs/dbraw/zinc/18/59/42/786185942.db2.gz AHEITJAISMPZDT-STQMWFEESA-N 1 0 340.424 -1.002 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)c1cnn(C)n1 ZINC001273067069 786185215 /nfs/dbraw/zinc/18/52/15/786185215.db2.gz MBRZJCRPCHJFJI-SECBINFHSA-N 1 0 337.384 -1.099 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)c1cnn(C)n1 ZINC001273067070 786185386 /nfs/dbraw/zinc/18/53/86/786185386.db2.gz MBRZJCRPCHJFJI-VIFPVBQESA-N 1 0 337.384 -1.099 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@H]1CCC(=O)N1 ZINC001273067495 786185042 /nfs/dbraw/zinc/18/50/42/786185042.db2.gz RBQHCERMBAIHKE-GHMZBOCLSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001273067497 786185228 /nfs/dbraw/zinc/18/52/28/786185228.db2.gz RBQHCERMBAIHKE-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001273067498 786185435 /nfs/dbraw/zinc/18/54/35/786185435.db2.gz RBQHCERMBAIHKE-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@H]1CCC(=O)N1 ZINC001273067500 786185882 /nfs/dbraw/zinc/18/58/82/786185882.db2.gz RBQHCERMBAIHKE-WDEREUQCSA-N 1 0 339.396 -1.309 20 0 EAADRO Cn1ncc(C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CCC2)c1N ZINC001273068568 786185062 /nfs/dbraw/zinc/18/50/62/786185062.db2.gz MJFTVCBGIYJEIM-UHFFFAOYSA-N 1 0 344.441 -1.206 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)CN1CC[C@@H](O)C1 ZINC001273068755 786185195 /nfs/dbraw/zinc/18/51/95/786185195.db2.gz BOGVWIHVPIPXSE-QLFBSQMISA-N 1 0 326.441 -1.474 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)CN1CC[C@H](O)C1 ZINC001273068762 786185611 /nfs/dbraw/zinc/18/56/11/786185611.db2.gz BOGVWIHVPIPXSE-ZNMIVQPWSA-N 1 0 326.441 -1.474 20 0 EAADRO Cn1ncnc1C(=O)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001273069000 786185169 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EAADRO C[C@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001273112353 786192494 /nfs/dbraw/zinc/19/24/94/786192494.db2.gz ILYGWTPZRXOSBQ-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO Cn1nnc(C(=O)NCC2([NH2+]CCCS(C)(=O)=O)CCC2)n1 ZINC001273133336 786209247 /nfs/dbraw/zinc/20/92/47/786209247.db2.gz FYDVBJGAPNUYGQ-UHFFFAOYSA-N 1 0 330.414 -1.113 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CCC1 ZINC001273133943 786213602 /nfs/dbraw/zinc/21/36/02/786213602.db2.gz QCKVPSHOZLQHAB-JTQLQIEISA-N 1 0 332.426 -1.700 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CCC1 ZINC001273133945 786213211 /nfs/dbraw/zinc/21/32/11/786213211.db2.gz QCKVPSHOZLQHAB-SNVBAGLBSA-N 1 0 332.426 -1.700 20 0 EAADRO CN1CC[C@H](C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CCC2)C1=O ZINC001273140549 786255457 /nfs/dbraw/zinc/25/54/57/786255457.db2.gz ATTHENLRYBTJAZ-LLVKDONJSA-N 1 0 346.453 -1.358 20 0 EAADRO CN1CC[C@@H](C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CCC2)C1=O ZINC001273140551 786255260 /nfs/dbraw/zinc/25/52/60/786255260.db2.gz ATTHENLRYBTJAZ-NSHDSACASA-N 1 0 346.453 -1.358 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 ZINC001273141308 786256009 /nfs/dbraw/zinc/25/60/09/786256009.db2.gz LTPJVRIAHUWDLD-UHFFFAOYSA-N 1 0 343.409 -1.439 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001273141607 786254835 /nfs/dbraw/zinc/25/48/35/786254835.db2.gz PJEAMGPEZIFPFK-JTQLQIEISA-N 1 0 347.441 -1.764 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001273141608 786255058 /nfs/dbraw/zinc/25/50/58/786255058.db2.gz PJEAMGPEZIFPFK-SNVBAGLBSA-N 1 0 347.441 -1.764 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cnn(C)c1OC ZINC001273148486 786266301 /nfs/dbraw/zinc/26/63/01/786266301.db2.gz AGCGAGJQKIPENN-SECBINFHSA-N 1 0 340.384 -1.018 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cnn(C)c1OC ZINC001273148487 786266770 /nfs/dbraw/zinc/26/67/70/786266770.db2.gz AGCGAGJQKIPENN-VIFPVBQESA-N 1 0 340.384 -1.018 20 0 EAADRO Cc1nn(CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C)c(=O)n1C ZINC001273150019 786266726 /nfs/dbraw/zinc/26/67/26/786266726.db2.gz IXQMRCXMCKUPTD-JTQLQIEISA-N 1 0 326.401 -1.537 20 0 EAADRO Cc1nn(CC(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)c(=O)n1C ZINC001273150021 786266389 /nfs/dbraw/zinc/26/63/89/786266389.db2.gz IXQMRCXMCKUPTD-SNVBAGLBSA-N 1 0 326.401 -1.537 20 0 EAADRO Cc1nn(CC(=O)N[C@@H](C)CC[NH2+]Cc2cnn(C)n2)c(=O)n1C ZINC001273150136 786266706 /nfs/dbraw/zinc/26/67/06/786266706.db2.gz JZAIQADWFHMWNE-JTQLQIEISA-N 1 0 336.400 -1.297 20 0 EAADRO Cc1nn(CC(=O)N[C@H](C)CC[NH2+]Cc2cnn(C)n2)c(=O)n1C ZINC001273150137 786266733 /nfs/dbraw/zinc/26/67/33/786266733.db2.gz JZAIQADWFHMWNE-SNVBAGLBSA-N 1 0 336.400 -1.297 20 0 EAADRO C[NH+](C)CCN1CC2(CN(CC3C(=O)N=CNC3=O)C2)OCC1=O ZINC001273164424 786273445 /nfs/dbraw/zinc/27/34/45/786273445.db2.gz JVVYJZOHKKLHKE-UHFFFAOYSA-N 1 0 337.380 -1.137 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(CC1C(=O)N=CNC1=O)C2 ZINC001273165003 786275496 /nfs/dbraw/zinc/27/54/96/786275496.db2.gz VHUZZDTVTJULNB-UHFFFAOYSA-N 1 0 337.380 -1.137 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001273165589 786275348 /nfs/dbraw/zinc/27/53/48/786275348.db2.gz BJIZHLMTOXJIRS-JTQLQIEISA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001273165591 786275791 /nfs/dbraw/zinc/27/57/91/786275791.db2.gz BJIZHLMTOXJIRS-SNVBAGLBSA-N 1 0 341.412 -1.063 20 0 EAADRO C[C@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1C(=O)CNC1=O ZINC001273165993 786275387 /nfs/dbraw/zinc/27/53/87/786275387.db2.gz FCFKGDWJEGHLNI-LLVKDONJSA-N 1 0 336.396 -1.001 20 0 EAADRO C[C@@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1C(=O)CNC1=O ZINC001273165996 786275934 /nfs/dbraw/zinc/27/59/34/786275934.db2.gz FCFKGDWJEGHLNI-NSHDSACASA-N 1 0 336.396 -1.001 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)C[C@H]2CCC(=O)N2)CCC1 ZINC001273166324 786275872 /nfs/dbraw/zinc/27/58/72/786275872.db2.gz OJQKPPBIFYABTE-LLVKDONJSA-N 1 0 346.453 -1.167 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)C[C@@H]2CCC(=O)N2)CCC1 ZINC001273166325 786275907 /nfs/dbraw/zinc/27/59/07/786275907.db2.gz OJQKPPBIFYABTE-NSHDSACASA-N 1 0 346.453 -1.167 20 0 EAADRO C[C@@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)CCC1=O ZINC001273167788 786276724 /nfs/dbraw/zinc/27/67/24/786276724.db2.gz MYLIJJZXJNCOMK-JTQLQIEISA-N 1 0 333.410 -1.336 20 0 EAADRO C[C@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)CCC1=O ZINC001273167797 786276752 /nfs/dbraw/zinc/27/67/52/786276752.db2.gz MYLIJJZXJNCOMK-SNVBAGLBSA-N 1 0 333.410 -1.336 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CCNC(N)=O ZINC001273168029 786276758 /nfs/dbraw/zinc/27/67/58/786276758.db2.gz OFXBHMWJARKOQU-LLVKDONJSA-N 1 0 329.401 -1.612 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CCNC(N)=O ZINC001273168032 786277042 /nfs/dbraw/zinc/27/70/42/786277042.db2.gz OFXBHMWJARKOQU-NSHDSACASA-N 1 0 329.401 -1.612 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1C(=O)CNC1=O ZINC001273168906 786276861 /nfs/dbraw/zinc/27/68/61/786276861.db2.gz WBRJUQDVTCIBBI-JTQLQIEISA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1C(=O)CNC1=O ZINC001273168907 786276403 /nfs/dbraw/zinc/27/64/03/786276403.db2.gz WBRJUQDVTCIBBI-SNVBAGLBSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)CNC1=O ZINC001273168916 786277988 /nfs/dbraw/zinc/27/79/88/786277988.db2.gz WHONLTLYANKMND-SECBINFHSA-N 1 0 334.398 -1.933 20 0 EAADRO C[C@@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)CNC1=O ZINC001273168917 786277463 /nfs/dbraw/zinc/27/74/63/786277463.db2.gz WHONLTLYANKMND-VIFPVBQESA-N 1 0 334.398 -1.933 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1cncn1 ZINC001273169022 786277387 /nfs/dbraw/zinc/27/73/87/786277387.db2.gz WOGUMPTVYHPYHB-JTQLQIEISA-N 1 0 325.373 -1.392 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1cncn1 ZINC001273169023 786277853 /nfs/dbraw/zinc/27/78/53/786277853.db2.gz WOGUMPTVYHPYHB-SNVBAGLBSA-N 1 0 325.373 -1.392 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)C(=O)NCC2CC2)CCC1 ZINC001273173118 786279194 /nfs/dbraw/zinc/27/91/94/786279194.db2.gz DAMLFGGEBBMFHR-UHFFFAOYSA-N 1 0 346.453 -1.310 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2)C(N)=O ZINC001273173769 786279078 /nfs/dbraw/zinc/27/90/78/786279078.db2.gz CCCJZTICCDCPJA-ZDUSSCGKSA-N 1 0 348.407 -1.176 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21)C(N)=O ZINC001273174216 786278599 /nfs/dbraw/zinc/27/85/99/786278599.db2.gz PIORNCJHWPSXPH-MELADBBJSA-N 1 0 348.407 -1.178 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1)C(N)=O ZINC001273174722 786278851 /nfs/dbraw/zinc/27/88/51/786278851.db2.gz YDYBWPDDIVZLBK-IHRRRGAJSA-N 1 0 348.407 -1.035 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001273175246 786278936 /nfs/dbraw/zinc/27/89/36/786278936.db2.gz FIYLQPQSQQNWAE-LLVKDONJSA-N 1 0 334.442 -2.053 20 0 EAADRO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001273175247 786278871 /nfs/dbraw/zinc/27/88/71/786278871.db2.gz FIYLQPQSQQNWAE-NSHDSACASA-N 1 0 334.442 -2.053 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001273176589 786278745 /nfs/dbraw/zinc/27/87/45/786278745.db2.gz VRNBSGQEJDUGDD-JTQLQIEISA-N 1 0 337.380 -1.184 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001273176590 786278874 /nfs/dbraw/zinc/27/88/74/786278874.db2.gz VRNBSGQEJDUGDD-SNVBAGLBSA-N 1 0 337.380 -1.184 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C)C(N)=O ZINC001273176878 786279540 /nfs/dbraw/zinc/27/95/40/786279540.db2.gz CDCXTDVZGWMIDH-IHRRRGAJSA-N 1 0 339.440 -1.397 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC2(CN(CC[NH+](C)C)C2)C1)C(N)=O ZINC001273177037 786279188 /nfs/dbraw/zinc/27/91/88/786279188.db2.gz GGMHYWCLADYEKM-LBPRGKRZSA-N 1 0 325.413 -1.928 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2)C(N)=O ZINC001273177116 786280271 /nfs/dbraw/zinc/28/02/71/786280271.db2.gz IERRJFNVWFPATI-ZDUSSCGKSA-N 1 0 339.440 -1.538 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2)C(N)=O ZINC001273178162 786280721 /nfs/dbraw/zinc/28/07/21/786280721.db2.gz UBCGFMBPLFRWPP-ZDUSSCGKSA-N 1 0 348.407 -1.593 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC2(CCN2CC[NH+](C)C)C1)C(N)=O ZINC001273178243 786280637 /nfs/dbraw/zinc/28/06/37/786280637.db2.gz VPXSXXUTNFMVGX-LBPRGKRZSA-N 1 0 325.413 -1.785 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21)C(N)=O ZINC001273178625 786280662 /nfs/dbraw/zinc/28/06/62/786280662.db2.gz WMPLWGMJVAHEER-MELADBBJSA-N 1 0 339.440 -1.539 20 0 EAADRO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)C(N)=O ZINC001273178795 786280564 /nfs/dbraw/zinc/28/05/64/786280564.db2.gz ZEIDZUABBJHDRO-MJBXVCDLSA-N 1 0 339.440 -1.397 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001273183153 786281487 /nfs/dbraw/zinc/28/14/87/786281487.db2.gz IAGSEPMSTXPAQW-BDAKNGLRSA-N 1 0 331.402 -2.114 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001273183156 786281537 /nfs/dbraw/zinc/28/15/37/786281537.db2.gz IAGSEPMSTXPAQW-DTWKUNHWSA-N 1 0 331.402 -2.114 20 0 EAADRO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001273183157 786281517 /nfs/dbraw/zinc/28/15/17/786281517.db2.gz IAGSEPMSTXPAQW-IUCAKERBSA-N 1 0 331.402 -2.114 20 0 EAADRO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001273183159 786281594 /nfs/dbraw/zinc/28/15/94/786281594.db2.gz IAGSEPMSTXPAQW-RKDXNWHRSA-N 1 0 331.402 -2.114 20 0 EAADRO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001273183224 786281580 /nfs/dbraw/zinc/28/15/80/786281580.db2.gz IVURJFIIQBKEPI-JTQLQIEISA-N 1 0 336.458 -1.065 20 0 EAADRO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001273183226 786281625 /nfs/dbraw/zinc/28/16/25/786281625.db2.gz IVURJFIIQBKEPI-SNVBAGLBSA-N 1 0 336.458 -1.065 20 0 EAADRO C[C@@H](CC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001273184320 786281617 /nfs/dbraw/zinc/28/16/17/786281617.db2.gz QOZRHWUELGOZJN-CMPLNLGQSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@@H](CC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001273184322 786281644 /nfs/dbraw/zinc/28/16/44/786281644.db2.gz QOZRHWUELGOZJN-JQWIXIFHSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@H](CC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001273184324 786281627 /nfs/dbraw/zinc/28/16/27/786281627.db2.gz QOZRHWUELGOZJN-PWSUYJOCSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@H](CC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001273184326 786281134 /nfs/dbraw/zinc/28/11/34/786281134.db2.gz QOZRHWUELGOZJN-ZYHUDNBSSA-N 1 0 346.453 -1.311 20 0 EAADRO C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CCN1CCCC1=O ZINC001273185557 786282783 /nfs/dbraw/zinc/28/27/83/786282783.db2.gz YQVQLGFHXZUJJI-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CCN1CCCC1=O ZINC001273185559 786282043 /nfs/dbraw/zinc/28/20/43/786282043.db2.gz YQVQLGFHXZUJJI-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO CNC(=O)C[NH2+]C1(CNC(=O)CN2C(=O)CN(C)C2=O)CCC1 ZINC001273194020 786301380 /nfs/dbraw/zinc/30/13/80/786301380.db2.gz AISZTJKMIPEYSF-UHFFFAOYSA-N 1 0 325.369 -1.745 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCC1([NH2+]CCn2cncn2)CCC1 ZINC001273195010 786304335 /nfs/dbraw/zinc/30/43/35/786304335.db2.gz NKZJGTVALCWJRZ-UHFFFAOYSA-N 1 0 335.368 -1.542 20 0 EAADRO COC[C@H](O)C[NH2+]C1(CNC(=O)CN2C(=O)CCC2=O)CCC1 ZINC001273195607 786304501 /nfs/dbraw/zinc/30/45/01/786304501.db2.gz SDQDKDOWTJWPSI-LLVKDONJSA-N 1 0 327.381 -1.229 20 0 EAADRO COC[C@@H](O)C[NH2+]C1(CNC(=O)CN2C(=O)CCC2=O)CCC1 ZINC001273195609 786304317 /nfs/dbraw/zinc/30/43/17/786304317.db2.gz SDQDKDOWTJWPSI-NSHDSACASA-N 1 0 327.381 -1.229 20 0 EAADRO C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001273201068 786308704 /nfs/dbraw/zinc/30/87/04/786308704.db2.gz ANPLDPDUJVAEIG-NXEZZACHSA-N 1 0 337.380 -1.373 20 0 EAADRO C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001273201076 786307940 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EAADRO CCS(=O)(=O)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001273204819 786316513 /nfs/dbraw/zinc/31/65/13/786316513.db2.gz MTNFJIYTPKTRQF-LBPRGKRZSA-N 1 0 349.453 -1.236 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001273205370 786319543 /nfs/dbraw/zinc/31/95/43/786319543.db2.gz ZPKAUQUAGOCCOV-GXSJLCMTSA-N 1 0 327.385 -1.323 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001273205371 786319124 /nfs/dbraw/zinc/31/91/24/786319124.db2.gz ZPKAUQUAGOCCOV-MWLCHTKSSA-N 1 0 327.385 -1.323 20 0 EAADRO COCCC(=O)N1CCO[C@H](C[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001273208362 786325567 /nfs/dbraw/zinc/32/55/67/786325567.db2.gz NDHUBYUYLVHONE-GFCCVEGCSA-N 1 0 337.442 -1.269 20 0 EAADRO COCCC(=O)N1CCO[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001273208363 786326913 /nfs/dbraw/zinc/32/69/13/786326913.db2.gz NDHUBYUYLVHONE-LBPRGKRZSA-N 1 0 337.442 -1.269 20 0 EAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001273213525 786332728 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CCOCC(=O)N1CCO[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001273215978 786333506 /nfs/dbraw/zinc/33/35/06/786333506.db2.gz CIEJYXZLZSIHSO-LBPRGKRZSA-N 1 0 337.442 -1.269 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 ZINC001273216704 786334644 /nfs/dbraw/zinc/33/46/44/786334644.db2.gz GZUPJMJTPVZZTA-KBPBESRZSA-N 1 0 325.365 -1.242 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 ZINC001273216706 786334470 /nfs/dbraw/zinc/33/44/70/786334470.db2.gz GZUPJMJTPVZZTA-KGLIPLIRSA-N 1 0 325.365 -1.242 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 ZINC001273216707 786334638 /nfs/dbraw/zinc/33/46/38/786334638.db2.gz GZUPJMJTPVZZTA-UONOGXRCSA-N 1 0 325.365 -1.242 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 ZINC001273216709 786334101 /nfs/dbraw/zinc/33/41/01/786334101.db2.gz GZUPJMJTPVZZTA-ZIAGYGMSSA-N 1 0 325.365 -1.242 20 0 EAADRO CCOCC(=O)N1CCO[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001273217308 786333465 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EAADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273217715 786334030 /nfs/dbraw/zinc/33/40/30/786334030.db2.gz NKXVJHFYKKFRDW-CMPLNLGQSA-N 1 0 335.426 -1.627 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273217718 786334700 /nfs/dbraw/zinc/33/47/00/786334700.db2.gz NKXVJHFYKKFRDW-JQWIXIFHSA-N 1 0 335.426 -1.627 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273217721 786334649 /nfs/dbraw/zinc/33/46/49/786334649.db2.gz NKXVJHFYKKFRDW-PWSUYJOCSA-N 1 0 335.426 -1.627 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273217723 786333578 /nfs/dbraw/zinc/33/35/78/786333578.db2.gz NKXVJHFYKKFRDW-ZYHUDNBSSA-N 1 0 335.426 -1.627 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273217787 786333499 /nfs/dbraw/zinc/33/34/99/786333499.db2.gz OCNHHLXEBGXISJ-AAEUAGOBSA-N 1 0 341.412 -1.647 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273217788 786334176 /nfs/dbraw/zinc/33/41/76/786334176.db2.gz OCNHHLXEBGXISJ-DGCLKSJQSA-N 1 0 341.412 -1.647 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273217790 786334273 /nfs/dbraw/zinc/33/42/73/786334273.db2.gz OCNHHLXEBGXISJ-WCQYABFASA-N 1 0 341.412 -1.647 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273217792 786334270 /nfs/dbraw/zinc/33/42/70/786334270.db2.gz OCNHHLXEBGXISJ-YPMHNXCESA-N 1 0 341.412 -1.647 20 0 EAADRO O=C(Cn1cccn1)N1CCO[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001273218453 786334562 /nfs/dbraw/zinc/33/45/62/786334562.db2.gz SVYJOEZPRJOICA-CYBMUJFWSA-N 1 0 349.391 -1.151 20 0 EAADRO O=C(Cn1cccn1)N1CCO[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001273218454 786333763 /nfs/dbraw/zinc/33/37/63/786333763.db2.gz SVYJOEZPRJOICA-ZDUSSCGKSA-N 1 0 349.391 -1.151 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001273218501 786334768 /nfs/dbraw/zinc/33/47/68/786334768.db2.gz UKFAAQRLIRXLBD-LLVKDONJSA-N 1 0 343.409 -1.544 20 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/nfs/dbraw/zinc/33/57/94/786335794.db2.gz HRVOSDKYBHPBNA-CABCVRRESA-N 1 0 343.424 -1.007 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001273225217 786336411 /nfs/dbraw/zinc/33/64/11/786336411.db2.gz HRVOSDKYBHPBNA-GJZGRUSLSA-N 1 0 343.424 -1.007 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001273225222 786335166 /nfs/dbraw/zinc/33/51/66/786335166.db2.gz HRVOSDKYBHPBNA-HUUCEWRRSA-N 1 0 343.424 -1.007 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001273225223 786336218 /nfs/dbraw/zinc/33/62/18/786336218.db2.gz HRVOSDKYBHPBNA-LSDHHAIUSA-N 1 0 343.424 -1.007 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001273225386 786336292 /nfs/dbraw/zinc/33/62/92/786336292.db2.gz IVZKPZGHYNCWNA-AWEZNQCLSA-N 1 0 339.396 -1.007 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001273225389 786335377 /nfs/dbraw/zinc/33/53/77/786335377.db2.gz IVZKPZGHYNCWNA-CQSZACIVSA-N 1 0 339.396 -1.007 20 0 EAADRO O=C(c1cn[nH]c1)N1CCO[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273226242 786335452 /nfs/dbraw/zinc/33/54/52/786335452.db2.gz MXFKVUFXXBMKKO-LLVKDONJSA-N 1 0 336.352 -1.608 20 0 EAADRO O=C(c1cn[nH]c1)N1CCO[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273226243 786336514 /nfs/dbraw/zinc/33/65/14/786336514.db2.gz MXFKVUFXXBMKKO-NSHDSACASA-N 1 0 336.352 -1.608 20 0 EAADRO O=C([C@@H]1COCCO1)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001273227448 786337693 /nfs/dbraw/zinc/33/76/93/786337693.db2.gz UZNIBPFEYZRWLH-KBPBESRZSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C([C@@H]1COCCO1)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001273227449 786335202 /nfs/dbraw/zinc/33/52/02/786335202.db2.gz UZNIBPFEYZRWLH-KGLIPLIRSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C([C@H]1COCCO1)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001273227450 786337294 /nfs/dbraw/zinc/33/72/94/786337294.db2.gz UZNIBPFEYZRWLH-UONOGXRCSA-N 1 0 341.408 -1.159 20 0 EAADRO O=C([C@H]1COCCO1)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001273227451 786338083 /nfs/dbraw/zinc/33/80/83/786338083.db2.gz UZNIBPFEYZRWLH-ZIAGYGMSSA-N 1 0 341.408 -1.159 20 0 EAADRO Cn1cc(CC[NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)CCO2)cn1 ZINC001273227874 786336993 /nfs/dbraw/zinc/33/69/93/786336993.db2.gz ZBPIXXCUWFFBBA-CYBMUJFWSA-N 1 0 344.437 -1.176 20 0 EAADRO Cn1cc(CC[NH2+]C[C@H]2CN(C(=O)CS(C)(=O)=O)CCO2)cn1 ZINC001273227890 786336823 /nfs/dbraw/zinc/33/68/23/786336823.db2.gz ZBPIXXCUWFFBBA-ZDUSSCGKSA-N 1 0 344.437 -1.176 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCN(C(C)=O)CC1)C(=O)COC ZINC001273230106 786337852 /nfs/dbraw/zinc/33/78/52/786337852.db2.gz SLQYJFWBLRWZEM-UHFFFAOYSA-N 1 0 328.413 -1.238 20 0 EAADRO CCN(CC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)COC ZINC001273230189 786337049 /nfs/dbraw/zinc/33/70/49/786337049.db2.gz WHADDSZEVYOMTK-GFCCVEGCSA-N 1 0 349.453 -1.284 20 0 EAADRO CCN(CC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)COC ZINC001273230190 786337366 /nfs/dbraw/zinc/33/73/66/786337366.db2.gz WHADDSZEVYOMTK-LBPRGKRZSA-N 1 0 349.453 -1.284 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(=O)C(C)(C)C)CCO1 ZINC001273235689 786338852 /nfs/dbraw/zinc/33/88/52/786338852.db2.gz ARLCWVVJLZTKEN-JTQLQIEISA-N 1 0 342.396 -1.126 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)CCO1 ZINC001273235690 786339705 /nfs/dbraw/zinc/33/97/05/786339705.db2.gz ARLCWVVJLZTKEN-SNVBAGLBSA-N 1 0 342.396 -1.126 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235699 786338447 /nfs/dbraw/zinc/33/84/47/786338447.db2.gz AXHKHDKNUCCUNZ-NEPJUHHUSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235700 786339375 /nfs/dbraw/zinc/33/93/75/786339375.db2.gz AXHKHDKNUCCUNZ-NWDGAFQWSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235701 786339078 /nfs/dbraw/zinc/33/90/78/786339078.db2.gz AXHKHDKNUCCUNZ-RYUDHWBXSA-N 1 0 328.413 -1.161 20 0 EAADRO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235702 786339168 /nfs/dbraw/zinc/33/91/68/786339168.db2.gz AXHKHDKNUCCUNZ-VXGBXAGGSA-N 1 0 328.413 -1.161 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235705 786339445 /nfs/dbraw/zinc/33/94/45/786339445.db2.gz BAYOBPOEKGOEFC-NEPJUHHUSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235706 786338750 /nfs/dbraw/zinc/33/87/50/786338750.db2.gz BAYOBPOEKGOEFC-NWDGAFQWSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235707 786339752 /nfs/dbraw/zinc/33/97/52/786339752.db2.gz BAYOBPOEKGOEFC-RYUDHWBXSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273235708 786339100 /nfs/dbraw/zinc/33/91/00/786339100.db2.gz BAYOBPOEKGOEFC-VXGBXAGGSA-N 1 0 328.413 -1.016 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001273235819 786339088 /nfs/dbraw/zinc/33/90/88/786339088.db2.gz CUQNWRYRNRQLQF-NWDGAFQWSA-N 1 0 347.437 -1.483 20 0 EAADRO CS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001273235820 786338901 /nfs/dbraw/zinc/33/89/01/786338901.db2.gz CUQNWRYRNRQLQF-VXGBXAGGSA-N 1 0 347.437 -1.483 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273237534 786339298 /nfs/dbraw/zinc/33/92/98/786339298.db2.gz ROIBBKBSPHDCCT-LLVKDONJSA-N 1 0 328.413 -1.016 20 0 EAADRO CCC(C)(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273237535 786339223 /nfs/dbraw/zinc/33/92/23/786339223.db2.gz ROIBBKBSPHDCCT-NSHDSACASA-N 1 0 328.413 -1.016 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)Nc2nccs2)C1 ZINC001273237837 786338808 /nfs/dbraw/zinc/33/88/08/786338808.db2.gz ULSRIGVVIPCYIC-SECBINFHSA-N 1 0 341.393 -1.226 20 0 EAADRO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)Nc2nccs2)C1 ZINC001273237838 786339271 /nfs/dbraw/zinc/33/92/71/786339271.db2.gz ULSRIGVVIPCYIC-VIFPVBQESA-N 1 0 341.393 -1.226 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001273238168 786339179 /nfs/dbraw/zinc/33/91/79/786339179.db2.gz WKXOVOUYVKAZLK-KBPBESRZSA-N 1 0 343.424 -1.007 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001273238169 786339065 /nfs/dbraw/zinc/33/90/65/786339065.db2.gz WKXOVOUYVKAZLK-KGLIPLIRSA-N 1 0 343.424 -1.007 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001273238170 786338734 /nfs/dbraw/zinc/33/87/34/786338734.db2.gz WKXOVOUYVKAZLK-UONOGXRCSA-N 1 0 343.424 -1.007 20 0 EAADRO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001273238171 786338992 /nfs/dbraw/zinc/33/89/92/786338992.db2.gz WKXOVOUYVKAZLK-ZIAGYGMSSA-N 1 0 343.424 -1.007 20 0 EAADRO O=C(c1cocn1)N1CCO[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273238697 786338773 /nfs/dbraw/zinc/33/87/73/786338773.db2.gz YXNBHPGNPYCLPE-JTQLQIEISA-N 1 0 337.336 -1.343 20 0 EAADRO O=C(c1cocn1)N1CCO[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273238698 786339608 /nfs/dbraw/zinc/33/96/08/786339608.db2.gz YXNBHPGNPYCLPE-SNVBAGLBSA-N 1 0 337.336 -1.343 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)CNC(C)=O ZINC001273242795 786340882 /nfs/dbraw/zinc/34/08/82/786340882.db2.gz FGAVIOYNFHENOK-UHFFFAOYSA-N 1 0 328.413 -1.144 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCO[C@H](C)C1)C(=O)CNC(C)=O ZINC001273243394 786341393 /nfs/dbraw/zinc/34/13/93/786341393.db2.gz SYYQWTRJUUIATR-GFCCVEGCSA-N 1 0 328.413 -1.192 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)C(=O)CNC(C)=O ZINC001273243395 786341372 /nfs/dbraw/zinc/34/13/72/786341372.db2.gz SYYQWTRJUUIATR-LBPRGKRZSA-N 1 0 328.413 -1.192 20 0 EAADRO CCNC(=O)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001273244122 786341312 /nfs/dbraw/zinc/34/13/12/786341312.db2.gz LREGHYZXIJACCF-GFCCVEGCSA-N 1 0 326.397 -1.392 20 0 EAADRO CCNC(=O)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001273244123 786340009 /nfs/dbraw/zinc/34/00/09/786340009.db2.gz LREGHYZXIJACCF-LBPRGKRZSA-N 1 0 326.397 -1.392 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2)CCO1 ZINC001273244238 786340994 /nfs/dbraw/zinc/34/09/94/786340994.db2.gz NMXXZLSMDFPFEH-CYBMUJFWSA-N 1 0 349.453 -1.820 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)CN2CCOCC2)CCO1 ZINC001273244239 786340814 /nfs/dbraw/zinc/34/08/14/786340814.db2.gz NMXXZLSMDFPFEH-ZDUSSCGKSA-N 1 0 349.453 -1.820 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001273244282 786340270 /nfs/dbraw/zinc/34/02/70/786340270.db2.gz OBVJYZCXXJKDGU-GFCCVEGCSA-N 1 0 334.384 -1.154 20 0 EAADRO O=C(CCc1nnc[nH]1)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001273244283 786340581 /nfs/dbraw/zinc/34/05/81/786340581.db2.gz OBVJYZCXXJKDGU-LBPRGKRZSA-N 1 0 334.384 -1.154 20 0 EAADRO O=C([C@@H]1CCNC(=O)C1)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001273244496 786340931 /nfs/dbraw/zinc/34/09/31/786340931.db2.gz RNENASOSKYHCKW-CHWSQXEVSA-N 1 0 329.397 -1.662 20 0 EAADRO O=C([C@@H]1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001273244497 786341058 /nfs/dbraw/zinc/34/10/58/786341058.db2.gz RNENASOSKYHCKW-OLZOCXBDSA-N 1 0 329.397 -1.662 20 0 EAADRO O=C([C@H]1CCNC(=O)C1)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001273244498 786340786 /nfs/dbraw/zinc/34/07/86/786340786.db2.gz RNENASOSKYHCKW-QWHCGFSZSA-N 1 0 329.397 -1.662 20 0 EAADRO O=C([C@H]1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001273244499 786341029 /nfs/dbraw/zinc/34/10/29/786341029.db2.gz RNENASOSKYHCKW-STQMWFEESA-N 1 0 329.397 -1.662 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)n1 ZINC001273250773 786424161 /nfs/dbraw/zinc/42/41/61/786424161.db2.gz CFKHKPXKKZIQFG-JTQLQIEISA-N 1 0 331.398 -1.710 20 0 EAADRO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)n1 ZINC001273250778 786424070 /nfs/dbraw/zinc/42/40/70/786424070.db2.gz CFKHKPXKKZIQFG-SNVBAGLBSA-N 1 0 331.398 -1.710 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001273251881 786423352 /nfs/dbraw/zinc/42/33/52/786423352.db2.gz OAEINWFRSGARMI-GFCCVEGCSA-N 1 0 339.396 -1.007 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001273251882 786424210 /nfs/dbraw/zinc/42/42/10/786424210.db2.gz OAEINWFRSGARMI-LBPRGKRZSA-N 1 0 339.396 -1.007 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]CCN3CCCC3=O)C2)nn1 ZINC001273252369 786423947 /nfs/dbraw/zinc/42/39/47/786423947.db2.gz SEDSXCVTBUXCPD-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]CCN3CCCC3=O)C2)nn1 ZINC001273252370 786423578 /nfs/dbraw/zinc/42/35/78/786423578.db2.gz SEDSXCVTBUXCPD-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1nncc1C(=O)N1CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001273252817 786424187 /nfs/dbraw/zinc/42/41/87/786424187.db2.gz WJISWQLXEUGAPH-JTQLQIEISA-N 1 0 346.413 -2.205 20 0 EAADRO Cn1nncc1C(=O)N1CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001273252818 786425532 /nfs/dbraw/zinc/42/55/32/786425532.db2.gz WJISWQLXEUGAPH-SNVBAGLBSA-N 1 0 346.413 -2.205 20 0 EAADRO O=C(c1cncnc1)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273252874 786423588 /nfs/dbraw/zinc/42/35/88/786423588.db2.gz XBDZMTFGMTXIJK-CYBMUJFWSA-N 1 0 334.380 -1.068 20 0 EAADRO O=C(c1cncnc1)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273252875 786424242 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CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001273260245 786425720 /nfs/dbraw/zinc/42/57/20/786425720.db2.gz HVWHSPIKRIONTL-RYUDHWBXSA-N 1 0 337.442 -1.486 20 0 EAADRO CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001273260246 786425184 /nfs/dbraw/zinc/42/51/84/786425184.db2.gz HVWHSPIKRIONTL-VXGBXAGGSA-N 1 0 337.442 -1.486 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001273260941 786424852 /nfs/dbraw/zinc/42/48/52/786424852.db2.gz OJXWSTGEABSZSZ-OBJOEFQTSA-N 1 0 347.437 -1.611 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001273260942 786425545 /nfs/dbraw/zinc/42/55/45/786425545.db2.gz OJXWSTGEABSZSZ-SCRDCRAPSA-N 1 0 347.437 -1.611 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001273261245 786425134 /nfs/dbraw/zinc/42/51/34/786425134.db2.gz SFVPAZSDKFHVCC-GFCCVEGCSA-N 1 0 330.410 -1.006 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001273261246 786425245 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CN1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCn3cccn3)C2)NC1=O ZINC001273299111 786428594 /nfs/dbraw/zinc/42/85/94/786428594.db2.gz AJPSSOZRJYJYHV-QWHCGFSZSA-N 1 0 336.396 -1.276 20 0 EAADRO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCn3cccn3)C2)NC1=O ZINC001273299112 786429320 /nfs/dbraw/zinc/42/93/20/786429320.db2.gz AJPSSOZRJYJYHV-STQMWFEESA-N 1 0 336.396 -1.276 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]CCOCC(F)F)C2)n1 ZINC001273299488 786428738 /nfs/dbraw/zinc/42/87/38/786428738.db2.gz DORNXBXAMLOGOG-SECBINFHSA-N 1 0 334.327 -1.078 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]CCOCC(F)F)C2)n1 ZINC001273299491 786428851 /nfs/dbraw/zinc/42/88/51/786428851.db2.gz DORNXBXAMLOGOG-VIFPVBQESA-N 1 0 334.327 -1.078 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCn3cncn3)C2)C1=O ZINC001273299719 786428547 /nfs/dbraw/zinc/42/85/47/786428547.db2.gz GYVNIFUZEZQHSM-CHWSQXEVSA-N 1 0 336.396 -1.427 20 0 EAADRO CN1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CCn3cncn3)C2)C1=O ZINC001273299721 786429211 /nfs/dbraw/zinc/42/92/11/786429211.db2.gz GYVNIFUZEZQHSM-OLZOCXBDSA-N 1 0 336.396 -1.427 20 0 EAADRO CN1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCn3cncn3)C2)C1=O ZINC001273299725 786428663 /nfs/dbraw/zinc/42/86/63/786428663.db2.gz GYVNIFUZEZQHSM-QWHCGFSZSA-N 1 0 336.396 -1.427 20 0 EAADRO CN1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCn3cncn3)C2)C1=O ZINC001273299727 786428570 /nfs/dbraw/zinc/42/85/70/786428570.db2.gz GYVNIFUZEZQHSM-STQMWFEESA-N 1 0 336.396 -1.427 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001273299798 786429185 /nfs/dbraw/zinc/42/91/85/786429185.db2.gz HYTHRKDGQUXBMS-NEPJUHHUSA-N 1 0 326.397 -1.582 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001273299801 786429231 /nfs/dbraw/zinc/42/92/31/786429231.db2.gz HYTHRKDGQUXBMS-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001273299803 786428968 /nfs/dbraw/zinc/42/89/68/786428968.db2.gz HYTHRKDGQUXBMS-RYUDHWBXSA-N 1 0 326.397 -1.582 20 0 EAADRO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001273299805 786428562 /nfs/dbraw/zinc/42/85/62/786428562.db2.gz HYTHRKDGQUXBMS-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO Cc1nc(C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)nn1-c1nc[nH]n1 ZINC001273299813 786428679 /nfs/dbraw/zinc/42/86/79/786428679.db2.gz HZYHOWWTJWXOEA-JTQLQIEISA-N 1 0 336.356 -1.883 20 0 EAADRO Cc1nc(C(=O)N2CCO[C@H](C[NH2+]CCO)C2)nn1-c1nc[nH]n1 ZINC001273299818 786428749 /nfs/dbraw/zinc/42/87/49/786428749.db2.gz HZYHOWWTJWXOEA-SNVBAGLBSA-N 1 0 336.356 -1.883 20 0 EAADRO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001273300336 786429049 /nfs/dbraw/zinc/42/90/49/786429049.db2.gz LBMMMISZPBYILX-CHWSQXEVSA-N 1 0 340.424 -1.192 20 0 EAADRO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001273300338 786429292 /nfs/dbraw/zinc/42/92/92/786429292.db2.gz LBMMMISZPBYILX-OLZOCXBDSA-N 1 0 340.424 -1.192 20 0 EAADRO CCN(CC)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001273300340 786429328 /nfs/dbraw/zinc/42/93/28/786429328.db2.gz LBMMMISZPBYILX-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CCN(CC)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001273300342 786428539 /nfs/dbraw/zinc/42/85/39/786428539.db2.gz LBMMMISZPBYILX-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001273301517 786429247 /nfs/dbraw/zinc/42/92/47/786429247.db2.gz VRWRFVHFPBAXRE-JTQLQIEISA-N 1 0 346.413 -1.907 20 0 EAADRO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001273301557 786428802 /nfs/dbraw/zinc/42/88/02/786428802.db2.gz VRWRFVHFPBAXRE-SNVBAGLBSA-N 1 0 346.413 -1.907 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001273302025 786428628 /nfs/dbraw/zinc/42/86/28/786428628.db2.gz ZJTVQIILQLVQOH-SECBINFHSA-N 1 0 347.401 -2.810 20 0 EAADRO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001273302026 786430650 /nfs/dbraw/zinc/43/06/50/786430650.db2.gz ZJTVQIILQLVQOH-VIFPVBQESA-N 1 0 347.401 -2.810 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCO1 ZINC001273302087 786430195 /nfs/dbraw/zinc/43/01/95/786430195.db2.gz ZPTODLZMBLFWNL-NEPJUHHUSA-N 1 0 326.397 -1.582 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCO1 ZINC001273302088 786430125 /nfs/dbraw/zinc/43/01/25/786430125.db2.gz ZPTODLZMBLFWNL-NWDGAFQWSA-N 1 0 326.397 -1.582 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCO1 ZINC001273302089 786430111 /nfs/dbraw/zinc/43/01/11/786430111.db2.gz ZPTODLZMBLFWNL-RYUDHWBXSA-N 1 0 326.397 -1.582 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCO1 ZINC001273302090 786429723 /nfs/dbraw/zinc/42/97/23/786429723.db2.gz ZPTODLZMBLFWNL-VXGBXAGGSA-N 1 0 326.397 -1.582 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCN(C(C)=O)CC1)C(=O)CC(N)=O ZINC001273305160 786429994 /nfs/dbraw/zinc/42/99/94/786429994.db2.gz CLXMBHLFRZXKQE-UHFFFAOYSA-N 1 0 341.412 -2.009 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1nccnc1N ZINC001273305216 786430059 /nfs/dbraw/zinc/43/00/59/786430059.db2.gz FWKMUFMHAGGNEG-UHFFFAOYSA-N 1 0 349.395 -1.931 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC2CCCCC2)C1 ZINC001273307979 786430288 /nfs/dbraw/zinc/43/02/88/786430288.db2.gz FXXGQWGNRQIFEZ-CYBMUJFWSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC2CCCCC2)C1 ZINC001273307980 786429750 /nfs/dbraw/zinc/42/97/50/786429750.db2.gz FXXGQWGNRQIFEZ-ZDUSSCGKSA-N 1 0 340.424 -1.015 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001273308131 786429779 /nfs/dbraw/zinc/42/97/79/786429779.db2.gz GTBPRKKAEKWKIR-GHMZBOCLSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001273308132 786430455 /nfs/dbraw/zinc/43/04/55/786430455.db2.gz GTBPRKKAEKWKIR-MNOVXSKESA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001273308133 786429715 /nfs/dbraw/zinc/42/97/15/786429715.db2.gz GTBPRKKAEKWKIR-QWRGUYRKSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001273308134 786430506 /nfs/dbraw/zinc/43/05/06/786430506.db2.gz GTBPRKKAEKWKIR-WDEREUQCSA-N 1 0 333.410 -1.887 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CCCCC2)C1 ZINC001273308445 786430396 /nfs/dbraw/zinc/43/03/96/786430396.db2.gz LEMOMESUYAJQNN-GFCCVEGCSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CCCCC2)C1 ZINC001273308446 786430093 /nfs/dbraw/zinc/43/00/93/786430093.db2.gz LEMOMESUYAJQNN-LBPRGKRZSA-N 1 0 326.397 -1.262 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@H](C[NH2+]CCN3CCCC3=O)C2)CC1 ZINC001273308607 786430658 /nfs/dbraw/zinc/43/06/58/786430658.db2.gz MWLNHIBHQQADOC-GFCCVEGCSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+]CCN3CCCC3=O)C2)CC1 ZINC001273308608 786429760 /nfs/dbraw/zinc/42/97/60/786429760.db2.gz MWLNHIBHQQADOC-LBPRGKRZSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@H](C[NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001273308638 786430558 /nfs/dbraw/zinc/43/05/58/786430558.db2.gz NLWXRDUKDZZDIC-GFCCVEGCSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001273308639 786430576 /nfs/dbraw/zinc/43/05/76/786430576.db2.gz NLWXRDUKDZZDIC-LBPRGKRZSA-N 1 0 338.408 -1.309 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001273308847 786429774 /nfs/dbraw/zinc/42/97/74/786429774.db2.gz RDKOSBGVPMCDQY-BDAKNGLRSA-N 1 0 343.302 -1.772 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001273308853 786429745 /nfs/dbraw/zinc/42/97/45/786429745.db2.gz RDKOSBGVPMCDQY-DTWKUNHWSA-N 1 0 343.302 -1.772 20 0 EAADRO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001273308855 786429793 /nfs/dbraw/zinc/42/97/93/786429793.db2.gz RDKOSBGVPMCDQY-IUCAKERBSA-N 1 0 343.302 -1.772 20 0 EAADRO NC(=O)C(=O)N1CCO[C@H](C[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001273308857 786430153 /nfs/dbraw/zinc/43/01/53/786430153.db2.gz RDKOSBGVPMCDQY-RKDXNWHRSA-N 1 0 343.302 -1.772 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)CC1 ZINC001273309314 786429933 /nfs/dbraw/zinc/42/99/33/786429933.db2.gz WNBIEVSSTWWDLK-JTQLQIEISA-N 1 0 333.410 -1.887 20 0 EAADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)CC1 ZINC001273309315 786430081 /nfs/dbraw/zinc/43/00/81/786430081.db2.gz WNBIEVSSTWWDLK-SNVBAGLBSA-N 1 0 333.410 -1.887 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]CCn3cncn3)C2)[nH]c1=O ZINC001273309360 786430203 /nfs/dbraw/zinc/43/02/03/786430203.db2.gz XHGLMZBKARSXRO-LLVKDONJSA-N 1 0 335.368 -1.152 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]CCn3cncn3)C2)[nH]c1=O ZINC001273309361 786429979 /nfs/dbraw/zinc/42/99/79/786429979.db2.gz XHGLMZBKARSXRO-NSHDSACASA-N 1 0 335.368 -1.152 20 0 EAADRO O=C(NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1)C1CC1 ZINC001273309552 786429810 /nfs/dbraw/zinc/42/98/10/786429810.db2.gz ZJKDODWJFKBALS-NEPJUHHUSA-N 1 0 339.396 -1.989 20 0 EAADRO O=C(NCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1)C1CC1 ZINC001273309553 786430589 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EAADRO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001273316128 786432251 /nfs/dbraw/zinc/43/22/51/786432251.db2.gz NLLXIMAYUYHMDF-QMMMGPOBSA-N 1 0 335.361 -1.543 20 0 EAADRO COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001273316815 786432220 /nfs/dbraw/zinc/43/22/20/786432220.db2.gz XDEMBRLOEBUMAV-BBRMVZONSA-N 1 0 343.424 -1.007 20 0 EAADRO COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001273316817 786431805 /nfs/dbraw/zinc/43/18/05/786431805.db2.gz XDEMBRLOEBUMAV-CJNGLKHVSA-N 1 0 343.424 -1.007 20 0 EAADRO COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001273316819 786431346 /nfs/dbraw/zinc/43/13/46/786431346.db2.gz XDEMBRLOEBUMAV-CZUORRHYSA-N 1 0 343.424 -1.007 20 0 EAADRO COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001273316821 786431989 /nfs/dbraw/zinc/43/19/89/786431989.db2.gz XDEMBRLOEBUMAV-XJKSGUPXSA-N 1 0 343.424 -1.007 20 0 EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)CCO1 ZINC001273322404 786433835 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EAADRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)CCO1 ZINC001273323234 786433725 /nfs/dbraw/zinc/43/37/25/786433725.db2.gz MTWINULZFDJIDV-QWHCGFSZSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)CCO1 ZINC001273323235 786432831 /nfs/dbraw/zinc/43/28/31/786432831.db2.gz MTWINULZFDJIDV-STQMWFEESA-N 1 0 340.424 -1.192 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001273323568 786433213 /nfs/dbraw/zinc/43/32/13/786433213.db2.gz PIPDJYGKQOQESU-LLVKDONJSA-N 1 0 338.430 -2.418 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001273323569 786432815 /nfs/dbraw/zinc/43/28/15/786432815.db2.gz PIPDJYGKQOQESU-NSHDSACASA-N 1 0 338.430 -2.418 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001273324053 786434045 /nfs/dbraw/zinc/43/40/45/786434045.db2.gz VVLXKWIFDVFXPF-LLVKDONJSA-N 1 0 338.343 -1.323 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001273324056 786433668 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CN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](C[NH2+]CCCO)C2)C1=O ZINC001273324174 786433082 /nfs/dbraw/zinc/43/30/82/786433082.db2.gz XGUYBHMAHJLSRC-SNVBAGLBSA-N 1 0 342.352 -2.394 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1cn(C)cn1 ZINC001273325119 786432773 /nfs/dbraw/zinc/43/27/73/786432773.db2.gz ZPGRYFURWSOFFE-UHFFFAOYSA-N 1 0 336.396 -1.570 20 0 EAADRO CNC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@@H](O)COC)C2)CC1 ZINC001273330711 786435474 /nfs/dbraw/zinc/43/54/74/786435474.db2.gz DHZUXBJFGGPMEE-NEPJUHHUSA-N 1 0 329.397 -1.663 20 0 EAADRO CNC(=O)C1(C(=O)N2CCO[C@H](C[NH2+]C[C@@H](O)COC)C2)CC1 ZINC001273330712 786435652 /nfs/dbraw/zinc/43/56/52/786435652.db2.gz DHZUXBJFGGPMEE-VXGBXAGGSA-N 1 0 329.397 -1.663 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001273330719 786434622 /nfs/dbraw/zinc/43/46/22/786434622.db2.gz DLPUUPWKSNFUDI-CYBMUJFWSA-N 1 0 336.396 -1.379 20 0 EAADRO O=C(NCC1CC1)C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001273330720 786434837 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CNC(=O)C1(C(=O)N2CCO[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001273331627 786435244 /nfs/dbraw/zinc/43/52/44/786435244.db2.gz MXDKTXYSPTWCMU-NWDGAFQWSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001273331628 786434805 /nfs/dbraw/zinc/43/48/05/786434805.db2.gz MXDKTXYSPTWCMU-RYUDHWBXSA-N 1 0 340.424 -1.194 20 0 EAADRO CNC(=O)C1(C(=O)N2CCO[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C2)CC1 ZINC001273331629 786434719 /nfs/dbraw/zinc/43/47/19/786434719.db2.gz MXDKTXYSPTWCMU-VXGBXAGGSA-N 1 0 340.424 -1.194 20 0 EAADRO Cn1ncc(C(=O)N2CCO[C@H](C[NH2+]CCN3CCCC3=O)C2)n1 ZINC001273331681 786434738 /nfs/dbraw/zinc/43/47/38/786434738.db2.gz NHRKQQSOYWHJSI-GFCCVEGCSA-N 1 0 336.396 -1.132 20 0 EAADRO Cn1ncc(C(=O)N2CCO[C@@H](C[NH2+]CCN3CCCC3=O)C2)n1 ZINC001273331682 786435660 /nfs/dbraw/zinc/43/56/60/786435660.db2.gz NHRKQQSOYWHJSI-LBPRGKRZSA-N 1 0 336.396 -1.132 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCO1 ZINC001273331958 786434842 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Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001273332873 786435291 /nfs/dbraw/zinc/43/52/91/786435291.db2.gz UNIZBKWDTDWIBA-CYBMUJFWSA-N 1 0 336.396 -1.342 20 0 EAADRO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001273332875 786435690 /nfs/dbraw/zinc/43/56/90/786435690.db2.gz UNIZBKWDTDWIBA-ZDUSSCGKSA-N 1 0 336.396 -1.342 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001273332918 786434712 /nfs/dbraw/zinc/43/47/12/786434712.db2.gz VEDJKWDIOJUVQJ-LLVKDONJSA-N 1 0 328.394 -1.048 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001273332919 786435869 /nfs/dbraw/zinc/43/58/69/786435869.db2.gz VEDJKWDIOJUVQJ-NSHDSACASA-N 1 0 328.394 -1.048 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001273333841 786435055 /nfs/dbraw/zinc/43/50/55/786435055.db2.gz ZJLFSKHDGMYFSB-LLVKDONJSA-N 1 0 330.410 -1.186 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001273333844 786435191 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CCN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1ncn(C)n1 ZINC001273362370 786439259 /nfs/dbraw/zinc/43/92/59/786439259.db2.gz CSRWVHMXWKNALP-UHFFFAOYSA-N 1 0 337.384 -1.191 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001273365543 786441320 /nfs/dbraw/zinc/44/13/20/786441320.db2.gz JKTGWSNDDHBXQU-LLVKDONJSA-N 1 0 335.426 -1.496 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001273365544 786440838 /nfs/dbraw/zinc/44/08/38/786440838.db2.gz JKTGWSNDDHBXQU-NSHDSACASA-N 1 0 335.426 -1.496 20 0 EAADRO CCN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)CC1(O)CCC1 ZINC001273367494 786441596 /nfs/dbraw/zinc/44/15/96/786441596.db2.gz IAKGTTAESAWLJW-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO CCN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H](C)NC(N)=O ZINC001273374176 786442165 /nfs/dbraw/zinc/44/21/65/786442165.db2.gz HBDRGQWXUGFGJF-NXEZZACHSA-N 1 0 327.385 -1.323 20 0 EAADRO CCN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C[C@H](C)NC(N)=O ZINC001273374177 786443031 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ZINC001273381519 786444597 /nfs/dbraw/zinc/44/45/97/786444597.db2.gz IISYPQBDEARIHF-UHFFFAOYSA-N 1 0 325.373 -2.097 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)c1cc(OC)ncn1 ZINC001273381862 786444589 /nfs/dbraw/zinc/44/45/89/786444589.db2.gz KTEYJXUQUIMVHN-UHFFFAOYSA-N 1 0 338.368 -1.008 20 0 EAADRO CCN(CC[NH2+]Cc1cncn1C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001273383161 786443636 /nfs/dbraw/zinc/44/36/36/786443636.db2.gz XRTHZNSDFSGXOU-UHFFFAOYSA-N 1 0 334.384 -1.251 20 0 EAADRO Cn1nc(C(=O)N2[C@H]3COC[C@@H]2CN(CC[NH+](C)C)C3)ccc1=O ZINC001273388534 786445172 /nfs/dbraw/zinc/44/51/72/786445172.db2.gz HNGSXCSPRKTCOI-BETUJISGSA-N 1 0 335.408 -1.133 20 0 EAADRO Cn1nc(C(=O)N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)ccc1=O ZINC001273388558 786445347 /nfs/dbraw/zinc/44/53/47/786445347.db2.gz IYIXSBWUYZHSST-BETUJISGSA-N 1 0 335.408 -1.133 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)ccc1=O ZINC001273388615 786445540 /nfs/dbraw/zinc/44/55/40/786445540.db2.gz MILDAYKFNWKRRC-KBPBESRZSA-N 1 0 335.408 -1.133 20 0 EAADRO Cn1nc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)ccc1=O ZINC001273388616 786446303 /nfs/dbraw/zinc/44/63/03/786446303.db2.gz MILDAYKFNWKRRC-KGLIPLIRSA-N 1 0 335.408 -1.133 20 0 EAADRO CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001273403769 786449973 /nfs/dbraw/zinc/44/99/73/786449973.db2.gz CSOVFFINEXZEKA-GFCCVEGCSA-N 1 0 348.469 -1.206 20 0 EAADRO CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001273403770 786450026 /nfs/dbraw/zinc/45/00/26/786450026.db2.gz CSOVFFINEXZEKA-LBPRGKRZSA-N 1 0 348.469 -1.206 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001273404533 786451780 /nfs/dbraw/zinc/45/17/80/786451780.db2.gz JMPOOHVGXSCPEC-JTQLQIEISA-N 1 0 327.385 -1.642 20 0 EAADRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001273404534 786451105 /nfs/dbraw/zinc/45/11/05/786451105.db2.gz JMPOOHVGXSCPEC-SNVBAGLBSA-N 1 0 327.385 -1.642 20 0 EAADRO CCN(CC[NH2+]CCn1cncn1)C(=O)CN1CCCS1(=O)=O ZINC001273412583 786454266 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Cn1c(=O)cc(C[NH2+]C/C=C\CNC(=O)Cc2cc[nH]n2)n(C)c1=O ZINC001273931175 791403581 /nfs/dbraw/zinc/40/35/81/791403581.db2.gz ZVITUWAHPXENKP-ARJAWSKDSA-N 1 0 346.391 -1.188 20 0 EAADRO Cn1c(=O)cc(C[NH2+]C/C=C/CNC(=O)Cc2cc[nH]n2)n(C)c1=O ZINC001273931177 791402804 /nfs/dbraw/zinc/40/28/04/791402804.db2.gz ZVITUWAHPXENKP-ONEGZZNKSA-N 1 0 346.391 -1.188 20 0 EAADRO CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001273935914 791406297 /nfs/dbraw/zinc/40/62/97/791406297.db2.gz KXKGGMYKYQTVJC-HNNXBMFYSA-N 1 0 342.396 -1.482 20 0 EAADRO CCOCC[NH2+][C@]1(CO)CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001273935916 791406194 /nfs/dbraw/zinc/40/61/94/791406194.db2.gz KXKGGMYKYQTVJC-OAHLLOKOSA-N 1 0 342.396 -1.482 20 0 EAADRO COCC(=O)NC1(C[NH2+]CCCN2C(=O)CNC2=O)CCOCC1 ZINC001273937727 791407441 /nfs/dbraw/zinc/40/74/41/791407441.db2.gz WQJNERIIKPCEEO-UHFFFAOYSA-N 1 0 342.396 -1.170 20 0 EAADRO CS(=O)(=O)CC[NH2+]CC1(NC(=O)Cn2cnnn2)CCOCC1 ZINC001273943513 791407625 /nfs/dbraw/zinc/40/76/25/791407625.db2.gz 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ZINC001273956007 791413678 /nfs/dbraw/zinc/41/36/78/791413678.db2.gz HZTHQTBCEMEOND-DLRQAJBASA-N 1 0 339.396 -1.380 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001273956009 791413210 /nfs/dbraw/zinc/41/32/10/791413210.db2.gz HZTHQTBCEMEOND-PGLGOXFNSA-N 1 0 339.396 -1.380 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCNC(=O)C1 ZINC001273956015 791413643 /nfs/dbraw/zinc/41/36/43/791413643.db2.gz HZTHQTBCEMEOND-UFFNRZRYSA-N 1 0 339.396 -1.380 20 0 EAADRO Cc1cc(C(=O)NC/C=C\C[NH2+]CC(=O)N2CCNC(=O)C2)ncn1 ZINC001273956109 791413942 /nfs/dbraw/zinc/41/39/42/791413942.db2.gz JGFCULZIHNLZJP-IHWYPQMZSA-N 1 0 346.391 -1.381 20 0 EAADRO Cc1cc(C(=O)NC/C=C/C[NH2+]CC(=O)N2CCNC(=O)C2)ncn1 ZINC001273956114 791413597 /nfs/dbraw/zinc/41/35/97/791413597.db2.gz JGFCULZIHNLZJP-NSCUHMNNSA-N 1 0 346.391 -1.381 20 0 EAADRO CCC(=O)NCC(=O)NC1(C[NH2+]CCS(C)(=O)=O)CCOCC1 ZINC001273959517 791414864 /nfs/dbraw/zinc/41/48/64/791414864.db2.gz RWCKWLYFSIFWPG-UHFFFAOYSA-N 1 0 349.453 -1.188 20 0 EAADRO CCNC(=O)CN1C[C@@]2(CC[N@H+](CCC(=O)OC)C2)OCC1=O ZINC001273965402 791417955 /nfs/dbraw/zinc/41/79/55/791417955.db2.gz HQZJXSHIANEEIA-HNNXBMFYSA-N 1 0 327.381 -1.011 20 0 EAADRO CCNC(=O)CN1C[C@]2(CC[N@H+](CCC(=O)OC)C2)OCC1=O ZINC001273965404 791418010 /nfs/dbraw/zinc/41/80/10/791418010.db2.gz HQZJXSHIANEEIA-OAHLLOKOSA-N 1 0 327.381 -1.011 20 0 EAADRO Cn1cnc(C(=O)NC2(C[NH2+]CCn3cncn3)CCOCC2)n1 ZINC001273968292 791421600 /nfs/dbraw/zinc/42/16/00/791421600.db2.gz HENAWQFFQSVHTN-UHFFFAOYSA-N 1 0 334.384 -1.025 20 0 EAADRO Cn1ncc(C(=O)NC/C=C\C[NH2+]CC(=O)N2CCOCC2)c1N ZINC001273973099 791440922 /nfs/dbraw/zinc/44/09/22/791440922.db2.gz FSEUKHBWTQVDFZ-IHWYPQMZSA-N 1 0 336.396 -1.263 20 0 EAADRO Cn1ncc(C(=O)NC/C=C/C[NH2+]CC(=O)N2CCOCC2)c1N ZINC001273973100 791440725 /nfs/dbraw/zinc/44/07/25/791440725.db2.gz FSEUKHBWTQVDFZ-NSCUHMNNSA-N 1 0 336.396 -1.263 20 0 EAADRO O=C(CN1CCCS1(=O)=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001273974726 791447889 /nfs/dbraw/zinc/44/78/89/791447889.db2.gz KLYPWOSRBKTNFE-UHFFFAOYSA-N 1 0 335.426 -1.731 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC1(C[NH2+]CCCO)CCOCC1 ZINC001273975131 791449611 /nfs/dbraw/zinc/44/96/11/791449611.db2.gz OJZZAPFCPFXIGH-JTQLQIEISA-N 1 0 328.369 -1.778 20 0 EAADRO Cn1ncc(C(=O)NC/C=C\C[NH2+]CCCN2C(=O)CNC2=O)c1N ZINC001273975665 791450438 /nfs/dbraw/zinc/45/04/38/791450438.db2.gz VGURWFKKORUCTL-IHWYPQMZSA-N 1 0 349.395 -1.180 20 0 EAADRO Cn1ncc(C(=O)NC/C=C/C[NH2+]CCCN2C(=O)CNC2=O)c1N ZINC001273975666 791450508 /nfs/dbraw/zinc/45/05/08/791450508.db2.gz VGURWFKKORUCTL-NSCUHMNNSA-N 1 0 349.395 -1.180 20 0 EAADRO O=C(NC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCOCC1)c1cn[nH]n1 ZINC001273979287 791451446 /nfs/dbraw/zinc/45/14/46/791451446.db2.gz BQLOFDWNAYUFEI-SECBINFHSA-N 1 0 336.352 -1.522 20 0 EAADRO O=C(NC1(C[NH2+][C@H]2CCC(=O)NC2=O)CCOCC1)c1cn[nH]n1 ZINC001273979292 791451187 /nfs/dbraw/zinc/45/11/87/791451187.db2.gz BQLOFDWNAYUFEI-VIFPVBQESA-N 1 0 336.352 -1.522 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC/C=C\C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001273981992 791450972 /nfs/dbraw/zinc/45/09/72/791450972.db2.gz GLICDTYURODYNJ-MMJBKMRYSA-N 1 0 332.426 -1.260 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC/C=C\C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001273981996 791451023 /nfs/dbraw/zinc/45/10/23/791451023.db2.gz GLICDTYURODYNJ-NPRAVPSUSA-N 1 0 332.426 -1.260 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC/C=C/C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001273981997 791451495 /nfs/dbraw/zinc/45/14/95/791451495.db2.gz GLICDTYURODYNJ-ZNRGBCAMSA-N 1 0 332.426 -1.260 20 0 EAADRO C[C@H](NC(N)=O)C(=O)NC/C=C/C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001273981999 791451212 /nfs/dbraw/zinc/45/12/12/791451212.db2.gz GLICDTYURODYNJ-ZROCKMJXSA-N 1 0 332.426 -1.260 20 0 EAADRO CC(=O)N1CC(C(=O)NC/C=C/C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001273985053 791451545 /nfs/dbraw/zinc/45/15/45/791451545.db2.gz XAKUGIDVTCLEEN-CDAZIORVSA-N 1 0 325.369 -1.690 20 0 EAADRO CC(=O)N1CC(C(=O)NC/C=C/C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001273985060 791451595 /nfs/dbraw/zinc/45/15/95/791451595.db2.gz XAKUGIDVTCLEEN-NWALNABHSA-N 1 0 325.369 -1.690 20 0 EAADRO CC(=O)N1CC(C(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001273985063 791451241 /nfs/dbraw/zinc/45/12/41/791451241.db2.gz XAKUGIDVTCLEEN-TYRPZCRBSA-N 1 0 325.369 -1.690 20 0 EAADRO CC(=O)N1CC(C(=O)NC/C=C\C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001273985067 791451051 /nfs/dbraw/zinc/45/10/51/791451051.db2.gz XAKUGIDVTCLEEN-ZBJFTSOASA-N 1 0 325.369 -1.690 20 0 EAADRO CN1C[C@H](C(=O)NC2(C[NH2+]CCOCCO)CCOCC2)NC1=O ZINC001273987208 791452687 /nfs/dbraw/zinc/45/26/87/791452687.db2.gz FEKCKNWFOOHEFU-GFCCVEGCSA-N 1 0 344.412 -1.726 20 0 EAADRO CN1C[C@@H](C(=O)NC2(C[NH2+]CCOCCO)CCOCC2)NC1=O ZINC001273987209 791452795 /nfs/dbraw/zinc/45/27/95/791452795.db2.gz FEKCKNWFOOHEFU-LBPRGKRZSA-N 1 0 344.412 -1.726 20 0 EAADRO Cn1cnnc1C[NH2+]CC1(NC(=O)[C@@H]2CCNC2=O)CCOCC1 ZINC001273987485 791452575 /nfs/dbraw/zinc/45/25/75/791452575.db2.gz NADVMPQJSSHHMI-LLVKDONJSA-N 1 0 336.396 -1.294 20 0 EAADRO Cn1cnnc1C[NH2+]CC1(NC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001273987486 791452716 /nfs/dbraw/zinc/45/27/16/791452716.db2.gz NADVMPQJSSHHMI-NSHDSACASA-N 1 0 336.396 -1.294 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001273987661 791452787 /nfs/dbraw/zinc/45/27/87/791452787.db2.gz OJPBVHBOQIVXLA-UHFFFAOYSA-N 1 0 349.453 -1.341 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CCNC2=O)CCOCC1 ZINC001273987779 791452644 /nfs/dbraw/zinc/45/26/44/791452644.db2.gz OUXUULBTJVNDTO-NWDGAFQWSA-N 1 0 329.397 -1.615 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001273987780 791452097 /nfs/dbraw/zinc/45/20/97/791452097.db2.gz OUXUULBTJVNDTO-RYUDHWBXSA-N 1 0 329.397 -1.615 20 0 EAADRO Cn1nncc1C(=O)NC/C=C\C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001273989861 791453921 /nfs/dbraw/zinc/45/39/21/791453921.db2.gz AFGUJRXWGTZESJ-PLNGDYQASA-N 1 0 347.379 -1.712 20 0 EAADRO Cn1nncc1C(=O)NC/C=C/C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001273989862 791453847 /nfs/dbraw/zinc/45/38/47/791453847.db2.gz AFGUJRXWGTZESJ-SNAWJCMRSA-N 1 0 347.379 -1.712 20 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ZINC001274185866 791468512 /nfs/dbraw/zinc/46/85/12/791468512.db2.gz LDBCYWPNIPWQRX-BIOMNHJASA-N 1 0 327.410 -1.025 20 0 EAADRO O=C(NC/C=C/C[NH2+]CCn1cncn1)[C@H]1CCS(=O)(=O)C1 ZINC001274185870 791467402 /nfs/dbraw/zinc/46/74/02/791467402.db2.gz LDBCYWPNIPWQRX-ISUDXETCSA-N 1 0 327.410 -1.025 20 0 EAADRO O=C(NC/C=C\C[NH2+]CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 ZINC001274185872 791468263 /nfs/dbraw/zinc/46/82/63/791468263.db2.gz LDBCYWPNIPWQRX-UDSFMNFJSA-N 1 0 327.410 -1.025 20 0 EAADRO O=C(NC/C=C/C[NH2+]CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 ZINC001274185874 791467738 /nfs/dbraw/zinc/46/77/38/791467738.db2.gz LDBCYWPNIPWQRX-YYRQZUAOSA-N 1 0 327.410 -1.025 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC001274187916 791467863 /nfs/dbraw/zinc/46/78/63/791467863.db2.gz BSAUFFOARRDZSN-UWVGGRQHSA-N 1 0 327.385 -1.595 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001274187918 791468127 /nfs/dbraw/zinc/46/81/27/791468127.db2.gz BSAUFFOARRDZSN-VHSXEESVSA-N 1 0 327.385 -1.595 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001274187919 791468531 /nfs/dbraw/zinc/46/85/31/791468531.db2.gz BSAUFFOARRDZSN-ZJUUUORDSA-N 1 0 327.385 -1.595 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001274188056 791468420 /nfs/dbraw/zinc/46/84/20/791468420.db2.gz DJEVMGKKDBNTRD-MNOVXSKESA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001274188057 791468314 /nfs/dbraw/zinc/46/83/14/791468314.db2.gz DJEVMGKKDBNTRD-QWRGUYRKSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001274188059 791468443 /nfs/dbraw/zinc/46/84/43/791468443.db2.gz DJEVMGKKDBNTRD-WDEREUQCSA-N 1 0 349.395 -1.193 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001274189870 791468215 /nfs/dbraw/zinc/46/82/15/791468215.db2.gz WGIVKFLBLHTOLC-MNOVXSKESA-N 1 0 334.442 -1.502 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 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EAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)N1CCOCC1)C2 ZINC001274241213 791472573 /nfs/dbraw/zinc/47/25/73/791472573.db2.gz PNQVWROTEACLEW-UHFFFAOYSA-N 1 0 326.397 -1.087 20 0 EAADRO CN1CCN(C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001274241480 791473262 /nfs/dbraw/zinc/47/32/62/791473262.db2.gz MOYILDQHLOCZGH-UHFFFAOYSA-N 1 0 339.440 -1.171 20 0 EAADRO CNC(=O)N1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001274241946 791473181 /nfs/dbraw/zinc/47/31/81/791473181.db2.gz YUTFLBUUTJYTQK-UHFFFAOYSA-N 1 0 339.440 -1.124 20 0 EAADRO CN1CCN(C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)CC1 ZINC001274242999 791473029 /nfs/dbraw/zinc/47/30/29/791473029.db2.gz XJYKPRAYQLDDPJ-UHFFFAOYSA-N 1 0 339.440 -1.171 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001274250927 791472640 /nfs/dbraw/zinc/47/26/40/791472640.db2.gz KRIYHNSNNSLLTO-GHMZBOCLSA-N 1 0 335.426 -1.641 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001274250928 791473206 /nfs/dbraw/zinc/47/32/06/791473206.db2.gz KRIYHNSNNSLLTO-MNOVXSKESA-N 1 0 335.426 -1.641 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001274250929 791472652 /nfs/dbraw/zinc/47/26/52/791472652.db2.gz KRIYHNSNNSLLTO-QWRGUYRKSA-N 1 0 335.426 -1.641 20 0 EAADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001274250930 791472796 /nfs/dbraw/zinc/47/27/96/791472796.db2.gz KRIYHNSNNSLLTO-WDEREUQCSA-N 1 0 335.426 -1.641 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001274251245 791472559 /nfs/dbraw/zinc/47/25/59/791472559.db2.gz NAZDHIINVWCUDI-NXEZZACHSA-N 1 0 327.385 -1.610 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001274251247 791472824 /nfs/dbraw/zinc/47/28/24/791472824.db2.gz NAZDHIINVWCUDI-UWVGGRQHSA-N 1 0 327.385 -1.610 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001274251248 791472975 /nfs/dbraw/zinc/47/29/75/791472975.db2.gz NAZDHIINVWCUDI-VHSXEESVSA-N 1 0 327.385 -1.610 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001274251250 791472758 /nfs/dbraw/zinc/47/27/58/791472758.db2.gz NAZDHIINVWCUDI-ZJUUUORDSA-N 1 0 327.385 -1.610 20 0 EAADRO CN(C(=O)C[NH2+]C/C=C\CNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001274253052 791472544 /nfs/dbraw/zinc/47/25/44/791472544.db2.gz IFORGKGFPCSGFP-IHWYPQMZSA-N 1 0 337.424 -1.699 20 0 EAADRO CN(C(=O)C[NH2+]C/C=C/CNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001274253053 791473170 /nfs/dbraw/zinc/47/31/70/791473170.db2.gz IFORGKGFPCSGFP-NSCUHMNNSA-N 1 0 337.424 -1.699 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001274262333 791474228 /nfs/dbraw/zinc/47/42/28/791474228.db2.gz YKCFGKITVNVOCY-MNOVXSKESA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@H]([NH2+]CCS(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001274262334 791474381 /nfs/dbraw/zinc/47/43/81/791474381.db2.gz YKCFGKITVNVOCY-QWRGUYRKSA-N 1 0 331.438 -1.006 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001274262335 791474165 /nfs/dbraw/zinc/47/41/65/791474165.db2.gz YKCFGKITVNVOCY-WDEREUQCSA-N 1 0 331.438 -1.006 20 0 EAADRO COCCC[NH2+][C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C ZINC001274262399 791474222 /nfs/dbraw/zinc/47/42/22/791474222.db2.gz ZOFHKUAALWZVCM-NEPJUHHUSA-N 1 0 336.458 -1.145 20 0 EAADRO COCCC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C ZINC001274262400 791474610 /nfs/dbraw/zinc/47/46/10/791474610.db2.gz ZOFHKUAALWZVCM-NWDGAFQWSA-N 1 0 336.458 -1.145 20 0 EAADRO COCCC[NH2+][C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C ZINC001274262401 791474183 /nfs/dbraw/zinc/47/41/83/791474183.db2.gz ZOFHKUAALWZVCM-RYUDHWBXSA-N 1 0 336.458 -1.145 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1CCNC1=O)NC[C@H]1CCCO1 ZINC001274262457 791474413 /nfs/dbraw/zinc/47/44/13/791474413.db2.gz BMXBAKDNPXKTPL-FEAJGASRSA-N 1 0 338.408 -1.320 20 0 EAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1CCNC1=O)NC[C@@H]1CCCO1 ZINC001274262458 791474524 /nfs/dbraw/zinc/47/45/24/791474524.db2.gz BMXBAKDNPXKTPL-FIGAQHRESA-N 1 0 338.408 -1.320 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1CCNC1=O)NC[C@@H]1CCCO1 ZINC001274262459 791474348 /nfs/dbraw/zinc/47/43/48/791474348.db2.gz BMXBAKDNPXKTPL-WFPVSODESA-N 1 0 338.408 -1.320 20 0 EAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1CCNC1=O)NC[C@H]1CCCO1 ZINC001274262460 791473982 /nfs/dbraw/zinc/47/39/82/791473982.db2.gz BMXBAKDNPXKTPL-XXUGLENDSA-N 1 0 338.408 -1.320 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C/C=C/CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001274263527 791474340 /nfs/dbraw/zinc/47/43/40/791474340.db2.gz RYKQPPLDXPUWLV-ITKZLYELSA-N 1 0 340.428 -1.020 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C/C=C\CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001274263528 791474542 /nfs/dbraw/zinc/47/45/42/791474542.db2.gz RYKQPPLDXPUWLV-QMAVJUDZSA-N 1 0 340.428 -1.020 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C/C=C\CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001274263529 791474574 /nfs/dbraw/zinc/47/45/74/791474574.db2.gz RYKQPPLDXPUWLV-RXNFCKPNSA-N 1 0 340.428 -1.020 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C/C=C/CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001274263530 791474515 /nfs/dbraw/zinc/47/45/15/791474515.db2.gz RYKQPPLDXPUWLV-ZYOFXKKJSA-N 1 0 340.428 -1.020 20 0 EAADRO O=C(NC/C=C\C[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCNC1=O ZINC001274263763 791474108 /nfs/dbraw/zinc/47/41/08/791474108.db2.gz UHRCDJQUIUMNCB-BVBSBALXSA-N 1 0 337.380 -1.674 20 0 EAADRO O=C(NC/C=C/C[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCNC1=O ZINC001274263765 791473832 /nfs/dbraw/zinc/47/38/32/791473832.db2.gz UHRCDJQUIUMNCB-FMBMQGQPSA-N 1 0 337.380 -1.674 20 0 EAADRO O=C(NC/C=C/C[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCNC1=O ZINC001274263767 791474253 /nfs/dbraw/zinc/47/42/53/791474253.db2.gz UHRCDJQUIUMNCB-GXFZAYBSSA-N 1 0 337.380 -1.674 20 0 EAADRO O=C(NC/C=C\C[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCNC1=O ZINC001274263769 791474426 /nfs/dbraw/zinc/47/44/26/791474426.db2.gz UHRCDJQUIUMNCB-RFMOXSJOSA-N 1 0 337.380 -1.674 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001274264049 791474634 /nfs/dbraw/zinc/47/46/34/791474634.db2.gz WQDXEEDDCCYRDH-BVBSBALXSA-N 1 0 337.380 -2.515 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001274264050 791474049 /nfs/dbraw/zinc/47/40/49/791474049.db2.gz WQDXEEDDCCYRDH-FMBMQGQPSA-N 1 0 337.380 -2.515 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001274264051 791474188 /nfs/dbraw/zinc/47/41/88/791474188.db2.gz WQDXEEDDCCYRDH-GXFZAYBSSA-N 1 0 337.380 -2.515 20 0 EAADRO O=C(CN1CCNC(=O)C1)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001274264052 791474287 /nfs/dbraw/zinc/47/42/87/791474287.db2.gz WQDXEEDDCCYRDH-RFMOXSJOSA-N 1 0 337.380 -2.515 20 0 EAADRO CN(CC[NH2+]C/C=C\CNC(=O)c1c[nH]c(=O)n1C)S(C)(=O)=O ZINC001274264310 791474131 /nfs/dbraw/zinc/47/41/31/791474131.db2.gz XVMIHBJQKZDEFH-PLNGDYQASA-N 1 0 345.425 -1.107 20 0 EAADRO CN(CC[NH2+]C/C=C/CNC(=O)c1c[nH]c(=O)n1C)S(C)(=O)=O ZINC001274264312 791474145 /nfs/dbraw/zinc/47/41/45/791474145.db2.gz XVMIHBJQKZDEFH-SNAWJCMRSA-N 1 0 345.425 -1.107 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001274270586 791473863 /nfs/dbraw/zinc/47/38/63/791473863.db2.gz OXTLMJYXBILUDM-CMPLNLGQSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001274270588 791474217 /nfs/dbraw/zinc/47/42/17/791474217.db2.gz OXTLMJYXBILUDM-JQWIXIFHSA-N 1 0 348.469 -1.113 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001274270590 791474496 /nfs/dbraw/zinc/47/44/96/791474496.db2.gz OXTLMJYXBILUDM-PWSUYJOCSA-N 1 0 348.469 -1.113 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274271758 791474647 /nfs/dbraw/zinc/47/46/47/791474647.db2.gz XNGFVCXQYQQMIZ-MNOVXSKESA-N 1 0 345.429 -1.951 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274271760 791474642 /nfs/dbraw/zinc/47/46/42/791474642.db2.gz XNGFVCXQYQQMIZ-QWRGUYRKSA-N 1 0 345.429 -1.951 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001274271762 791474440 /nfs/dbraw/zinc/47/44/40/791474440.db2.gz XNGFVCXQYQQMIZ-WDEREUQCSA-N 1 0 345.429 -1.951 20 0 EAADRO Cn1nnc(C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@H]2CCOC2)n1 ZINC001274273416 791474710 /nfs/dbraw/zinc/47/47/10/791474710.db2.gz DCZDCBGFEDOYRF-KXMPLOMGSA-N 1 0 337.384 -1.762 20 0 EAADRO Cn1nnc(C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@H]2CCOC2)n1 ZINC001274273425 791474584 /nfs/dbraw/zinc/47/45/84/791474584.db2.gz DCZDCBGFEDOYRF-OTDNITJGSA-N 1 0 337.384 -1.762 20 0 EAADRO Cn1nnc(C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@@H]2CCOC2)n1 ZINC001274273426 791473745 /nfs/dbraw/zinc/47/37/45/791473745.db2.gz DCZDCBGFEDOYRF-QUCGXOGASA-N 1 0 337.384 -1.762 20 0 EAADRO Cn1nnc(C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@@H]2CCOC2)n1 ZINC001274273428 791473905 /nfs/dbraw/zinc/47/39/05/791473905.db2.gz DCZDCBGFEDOYRF-VUDBWIFFSA-N 1 0 337.384 -1.762 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NC/C=C\C[NH2+]CCN1C(=O)CNC1=O ZINC001274274361 791474534 /nfs/dbraw/zinc/47/45/34/791474534.db2.gz LEGPCDIEJBRUJC-QUCGXOGASA-N 1 0 337.380 -1.579 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1C(=O)CNC1=O ZINC001274274362 791474271 /nfs/dbraw/zinc/47/42/71/791474271.db2.gz LEGPCDIEJBRUJC-VUDBWIFFSA-N 1 0 337.380 -1.579 20 0 EAADRO CN(CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC(=O)N1C)S(C)(=O)=O ZINC001274275395 791473844 /nfs/dbraw/zinc/47/38/44/791473844.db2.gz RERUDEUUUMKAJZ-ITKZLYELSA-N 1 0 346.453 -1.239 20 0 EAADRO CN(CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC(=O)N1C)S(C)(=O)=O ZINC001274275396 791474718 /nfs/dbraw/zinc/47/47/18/791474718.db2.gz RERUDEUUUMKAJZ-RXNFCKPNSA-N 1 0 346.453 -1.239 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N1CCOCC1 ZINC001274275427 791474473 /nfs/dbraw/zinc/47/44/73/791474473.db2.gz RNCBKCOKVWZPTN-IBUXWKBASA-N 1 0 338.408 -1.272 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCOCC1 ZINC001274275428 791473819 /nfs/dbraw/zinc/47/38/19/791473819.db2.gz RNCBKCOKVWZPTN-ZRMMWKCHSA-N 1 0 338.408 -1.272 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC(=O)N1C ZINC001274275676 791473673 /nfs/dbraw/zinc/47/36/73/791473673.db2.gz TXOIQUCARHTKHN-KWKBKKAHSA-N 1 0 339.396 -1.287 20 0 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EAADRO COC[C@@H](C(=O)OC)N1C[C@@]2(CC[N@H+](C[C@H](C)O)C2)OCC1=O ZINC001274559219 791491047 /nfs/dbraw/zinc/49/10/47/791491047.db2.gz MMZINHYEHCPVIA-HUBLWGQQSA-N 1 0 330.381 -1.142 20 0 EAADRO COC[C@@H](C(=O)OC)N1C[C@]2(CC[N@H+](C[C@H](C)O)C2)OCC1=O ZINC001274559221 791490908 /nfs/dbraw/zinc/49/09/08/791490908.db2.gz MMZINHYEHCPVIA-SLEUVZQESA-N 1 0 330.381 -1.142 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CC1 ZINC001274559484 791490590 /nfs/dbraw/zinc/49/05/90/791490590.db2.gz KANHKOKWSCCDFW-OWOJBTEDSA-N 1 0 332.364 -1.270 20 0 EAADRO NC(=O)c1nccnc1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CC1 ZINC001274559486 791490118 /nfs/dbraw/zinc/49/01/18/791490118.db2.gz KANHKOKWSCCDFW-UPHRSURJSA-N 1 0 332.364 -1.270 20 0 EAADRO C[C@H]([NH2+]C/C=C\CNC(=O)CN1C(=O)CN(C)C1=O)C(=O)N(C)C ZINC001274559547 791489923 /nfs/dbraw/zinc/48/99/23/791489923.db2.gz LPEFHLWWXDSZRL-GZTOBOFZSA-N 1 0 339.396 -1.381 20 0 EAADRO C[C@@H]([NH2+]C/C=C\CNC(=O)CN1C(=O)CN(C)C1=O)C(=O)N(C)C ZINC001274559548 791491136 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Cn1nccc1CC[NH2+]C/C=C/CNC(=O)CN1C(=O)CNC1=O ZINC001274559924 791490549 /nfs/dbraw/zinc/49/05/49/791490549.db2.gz OUEMCOMRKSXAIA-NSCUHMNNSA-N 1 0 334.380 -1.224 20 0 EAADRO CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)CN1C(=O)CN(C)C1=O ZINC001274560109 791490680 /nfs/dbraw/zinc/49/06/80/791490680.db2.gz RDQSWXHOYMHFMF-PLNGDYQASA-N 1 0 339.396 -1.333 20 0 EAADRO CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)CN1C(=O)CN(C)C1=O ZINC001274560111 791490405 /nfs/dbraw/zinc/49/04/05/791490405.db2.gz RDQSWXHOYMHFMF-SNAWJCMRSA-N 1 0 339.396 -1.333 20 0 EAADRO CN1CC[C@H]([NH2+]C/C=C\CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1=O ZINC001274560123 791490710 /nfs/dbraw/zinc/49/07/10/791490710.db2.gz RFSDUOVQGFPBJU-NPRAVPSUSA-N 1 0 337.380 -1.533 20 0 EAADRO CN1CC[C@H]([NH2+]C/C=C/CNC(=O)CC[C@H]2NC(=O)NC2=O)C1=O ZINC001274560125 791490016 /nfs/dbraw/zinc/49/00/16/791490016.db2.gz RFSDUOVQGFPBJU-NTYHVHHESA-N 1 0 337.380 -1.533 20 0 EAADRO CN1CC[C@H]([NH2+]C/C=C\CNC(=O)CC[C@H]2NC(=O)NC2=O)C1=O ZINC001274560126 791490651 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EAADRO O=C1C[C@]2(CN1Cc1ncccn1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274563698 791491941 /nfs/dbraw/zinc/49/19/41/791491941.db2.gz ADBHZKQZMVCHNZ-BBRMVZONSA-N 1 0 336.392 -1.119 20 0 EAADRO O=C1C[C@@]2(CN1Cc1ncccn1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274563699 791491798 /nfs/dbraw/zinc/49/17/98/791491798.db2.gz ADBHZKQZMVCHNZ-XJKSGUPXSA-N 1 0 336.392 -1.119 20 0 EAADRO O=C1C[C@@]2(CN1CCn1ccnc1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274563721 791491706 /nfs/dbraw/zinc/49/17/06/791491706.db2.gz AVBUCWCXSAAEMA-GOEBONIOSA-N 1 0 338.408 -1.213 20 0 EAADRO O=C1C[C@]2(CN1CCn1ccnc1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274563722 791491867 /nfs/dbraw/zinc/49/18/67/791491867.db2.gz AVBUCWCXSAAEMA-HOCLYGCPSA-N 1 0 338.408 -1.213 20 0 EAADRO COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)CO ZINC001274563747 791492454 /nfs/dbraw/zinc/49/24/54/791492454.db2.gz BFVJZDFZILXRGH-LOWDOPEQSA-N 1 0 330.381 -1.407 20 0 EAADRO COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)CO ZINC001274563748 791492254 /nfs/dbraw/zinc/49/22/54/791492254.db2.gz BFVJZDFZILXRGH-UMSGYPCISA-N 1 0 330.381 -1.407 20 0 EAADRO O=C1N(CCN2CCOCC2)CC[C@]12CCC[N@H+]2C[C@H](O)CO ZINC001274563756 791492514 /nfs/dbraw/zinc/49/25/14/791492514.db2.gz BMXOQRGVWXECEF-GOEBONIOSA-N 1 0 327.425 -1.261 20 0 EAADRO O=C1N(CCN2CCOCC2)CC[C@@]12CCC[N@H+]2C[C@H](O)CO ZINC001274563757 791491783 /nfs/dbraw/zinc/49/17/83/791491783.db2.gz BMXOQRGVWXECEF-HOCLYGCPSA-N 1 0 327.425 -1.261 20 0 EAADRO COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563782 791492478 /nfs/dbraw/zinc/49/24/78/791492478.db2.gz BVNBXPXWNBEAEO-HUBLWGQQSA-N 1 0 330.381 -1.548 20 0 EAADRO COC(=O)[C@@H](C)CN1C[C@]2(CC[N@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563787 791492002 /nfs/dbraw/zinc/49/20/02/791492002.db2.gz BVNBXPXWNBEAEO-SLEUVZQESA-N 1 0 330.381 -1.548 20 0 EAADRO COC(CN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2)OC ZINC001274563832 791490640 /nfs/dbraw/zinc/49/06/40/791490640.db2.gz AXZHVPVZRMTDDX-SWLSCSKDSA-N 1 0 332.397 -1.491 20 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CN(C)C(=O)CNC(=O)[C@H]1CC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274697430 791506979 /nfs/dbraw/zinc/50/69/79/791506979.db2.gz JYLKERRQMPHHAU-VXGBXAGGSA-N 1 0 338.408 -1.894 20 0 EAADRO Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274697431 791508104 /nfs/dbraw/zinc/50/81/04/791508104.db2.gz KBKYDOQVCDFHSJ-NXEZZACHSA-N 1 0 335.368 -1.936 20 0 EAADRO Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274697434 791507889 /nfs/dbraw/zinc/50/78/89/791507889.db2.gz KBKYDOQVCDFHSJ-UWVGGRQHSA-N 1 0 335.368 -1.936 20 0 EAADRO Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274697436 791508338 /nfs/dbraw/zinc/50/83/38/791508338.db2.gz KBKYDOQVCDFHSJ-VHSXEESVSA-N 1 0 335.368 -1.936 20 0 EAADRO Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274697439 791507438 /nfs/dbraw/zinc/50/74/38/791507438.db2.gz KBKYDOQVCDFHSJ-ZJUUUORDSA-N 1 0 335.368 -1.936 20 0 EAADRO O=C(C[N@H+]1CC[C@@H](O)C1)N1CC2(C[C@@H]2C(=O)NCCn2ccnn2)C1 ZINC001274697488 791508762 /nfs/dbraw/zinc/50/87/62/791508762.db2.gz KTIPTZGIZONPIO-CHWSQXEVSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(C[N@H+]1CC[C@@H](O)C1)N1CC2(C[C@H]2C(=O)NCCn2ccnn2)C1 ZINC001274697490 791506951 /nfs/dbraw/zinc/50/69/51/791506951.db2.gz KTIPTZGIZONPIO-OLZOCXBDSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(C[N@H+]1CC[C@H](O)C1)N1CC2(C[C@@H]2C(=O)NCCn2ccnn2)C1 ZINC001274697492 791508227 /nfs/dbraw/zinc/50/82/27/791508227.db2.gz KTIPTZGIZONPIO-QWHCGFSZSA-N 1 0 348.407 -1.691 20 0 EAADRO O=C(C[N@H+]1CC[C@H](O)C1)N1CC2(C[C@H]2C(=O)NCCn2ccnn2)C1 ZINC001274697494 791507678 /nfs/dbraw/zinc/50/76/78/791507678.db2.gz KTIPTZGIZONPIO-STQMWFEESA-N 1 0 348.407 -1.691 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001274697617 791508405 /nfs/dbraw/zinc/50/84/05/791508405.db2.gz JYBHHQIIPQOANI-QWRGUYRKSA-N 1 0 334.442 -1.454 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]CCNS(C)(=O)=O ZINC001274697618 791508571 /nfs/dbraw/zinc/50/85/71/791508571.db2.gz 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349.431 -1.115 20 0 EAADRO O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@H]2C[C@@]2(C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001274698316 791508614 /nfs/dbraw/zinc/50/86/14/791508614.db2.gz RFYFQCPHAMISDG-SNUQEOBHSA-N 1 0 349.431 -1.115 20 0 EAADRO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274698410 791507101 /nfs/dbraw/zinc/50/71/01/791507101.db2.gz SYUAFWMJKUHXNJ-BFQNTYOBSA-N 1 0 338.408 -1.894 20 0 EAADRO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274698411 791508047 /nfs/dbraw/zinc/50/80/47/791508047.db2.gz SYUAFWMJKUHXNJ-XHBSWPGZSA-N 1 0 338.408 -1.894 20 0 EAADRO Cc1nc(CNC(=O)[C@@H]2CC23CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C3)no1 ZINC001274698559 791509202 /nfs/dbraw/zinc/50/92/02/791509202.db2.gz UCZDXNAPPYJMSH-NEPJUHHUSA-N 1 0 349.391 -1.091 20 0 EAADRO Cc1nc(CNC(=O)[C@H]2CC23CN(C(=O)C[N@@H+]2CC[C@H](O)C2)C3)no1 ZINC001274698564 791509419 /nfs/dbraw/zinc/50/94/19/791509419.db2.gz UCZDXNAPPYJMSH-NWDGAFQWSA-N 1 0 349.391 -1.091 20 0 EAADRO Cc1nc(CNC(=O)[C@@H]2CC23CN(C(=O)C[N@@H+]2CC[C@H](O)C2)C3)no1 ZINC001274698570 791509225 /nfs/dbraw/zinc/50/92/25/791509225.db2.gz UCZDXNAPPYJMSH-RYUDHWBXSA-N 1 0 349.391 -1.091 20 0 EAADRO Cc1nc(CNC(=O)[C@H]2CC23CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C3)no1 ZINC001274698574 791510195 /nfs/dbraw/zinc/51/01/95/791510195.db2.gz UCZDXNAPPYJMSH-VXGBXAGGSA-N 1 0 349.391 -1.091 20 0 EAADRO Cn1nccc1CNC(=O)[C@@H]1CC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274698962 791509814 /nfs/dbraw/zinc/50/98/14/791509814.db2.gz WXLFIFQNFQUZHW-KBPBESRZSA-N 1 0 347.419 -1.049 20 0 EAADRO Cn1nccc1CNC(=O)[C@@H]1CC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274698964 791510056 /nfs/dbraw/zinc/51/00/56/791510056.db2.gz WXLFIFQNFQUZHW-KGLIPLIRSA-N 1 0 347.419 -1.049 20 0 EAADRO Cn1nccc1CNC(=O)[C@H]1CC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274698966 791509534 /nfs/dbraw/zinc/50/95/34/791509534.db2.gz WXLFIFQNFQUZHW-UONOGXRCSA-N 1 0 347.419 -1.049 20 0 EAADRO Cn1nccc1CNC(=O)[C@H]1CC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274698968 791509773 /nfs/dbraw/zinc/50/97/73/791509773.db2.gz WXLFIFQNFQUZHW-ZIAGYGMSSA-N 1 0 347.419 -1.049 20 0 EAADRO Cc1nc(CNC(=O)[C@@]23C[C@@H]2CN(C(=O)C[N@@H+]2CC[C@H](O)C2)C3)no1 ZINC001274699065 791510029 /nfs/dbraw/zinc/51/00/29/791510029.db2.gz YGYUFXBBUVEJOM-BFQNTYOBSA-N 1 0 349.391 -1.091 20 0 EAADRO Cc1nc(CNC(=O)[C@@]23C[C@@H]2CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C3)no1 ZINC001274699067 791510124 /nfs/dbraw/zinc/51/01/24/791510124.db2.gz YGYUFXBBUVEJOM-XHBSWPGZSA-N 1 0 349.391 -1.091 20 0 EAADRO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274699166 791510175 /nfs/dbraw/zinc/51/01/75/791510175.db2.gz YYBHDILIDRXNAP-GPCCPHFNSA-N 1 0 335.368 -1.936 20 0 EAADRO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274699168 791510244 /nfs/dbraw/zinc/51/02/44/791510244.db2.gz YYBHDILIDRXNAP-ISTVAULSSA-N 1 0 335.368 -1.936 20 0 EAADRO CCC(=O)NCC(=O)N[C@H](C)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001274700733 791509901 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CC(=O)N1CCC(NC(=O)C[NH2+]C[C@@H](C)NC(=O)CC(N)=O)CC1 ZINC001274710405 791509737 /nfs/dbraw/zinc/50/97/37/791509737.db2.gz WFCIEZMDQZKGRS-SNVBAGLBSA-N 1 0 341.412 -1.917 20 0 EAADRO CCn1ncc(C(=O)NCC[C@H](C)[NH2+]CCN2C(=O)CNC2=O)n1 ZINC001274714325 791511758 /nfs/dbraw/zinc/51/17/58/791511758.db2.gz OSKGKWPZUDNRGQ-JTQLQIEISA-N 1 0 337.384 -1.052 20 0 EAADRO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001274722022 791511198 /nfs/dbraw/zinc/51/11/98/791511198.db2.gz SLHJNKQWLBVKBS-GHMZBOCLSA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001274722023 791510648 /nfs/dbraw/zinc/51/06/48/791510648.db2.gz SLHJNKQWLBVKBS-MNOVXSKESA-N 1 0 339.396 -1.451 20 0 EAADRO C[C@@H](CCNC(=O)[C@H]1CC(=O)N(C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001274725737 791511707 /nfs/dbraw/zinc/51/17/07/791511707.db2.gz NSBFEHHURUJRDI-QWRGUYRKSA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001274725738 791511841 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CCNC(=O)CC(=O)NC1CC(C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001275219858 791533257 /nfs/dbraw/zinc/53/32/57/791533257.db2.gz BLKXREBUZDNWSP-UHFFFAOYSA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001275224890 791532927 /nfs/dbraw/zinc/53/29/27/791532927.db2.gz CRPUOANDKFJLSR-QWRGUYRKSA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001275224891 791533410 /nfs/dbraw/zinc/53/34/10/791533410.db2.gz CRPUOANDKFJLSR-WDEREUQCSA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)CCN1C(=O)CCC1=O ZINC001275225047 791533623 /nfs/dbraw/zinc/53/36/23/791533623.db2.gz JXNXUFLBXAZYGA-JTQLQIEISA-N 1 0 333.410 -1.336 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001275225539 791533548 /nfs/dbraw/zinc/53/35/48/791533548.db2.gz ZZOIIOLIECLLMC-QWRGUYRKSA-N 1 0 332.426 -1.459 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001275225540 791533075 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CCS(=O)(=O)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001275265438 791536108 /nfs/dbraw/zinc/53/61/08/791536108.db2.gz BFBTWHPBUNQMDD-QWRGUYRKSA-N 1 0 334.442 -1.071 20 0 EAADRO CCS(=O)(=O)CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001275265439 791535530 /nfs/dbraw/zinc/53/55/30/791535530.db2.gz BFBTWHPBUNQMDD-WDEREUQCSA-N 1 0 334.442 -1.071 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1c[nH]c(=O)n1C ZINC001275266095 791536343 /nfs/dbraw/zinc/53/63/43/791536343.db2.gz HTIGODITDFLOBV-JTQLQIEISA-N 1 0 345.425 -1.131 20 0 EAADRO C[C@@H](C[NH2+]CCCN1CCCC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001275267970 791536416 /nfs/dbraw/zinc/53/64/16/791536416.db2.gz ZDFBGUPLHWKDID-ZDUSSCGKSA-N 1 0 339.440 -1.475 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001275267980 791536312 /nfs/dbraw/zinc/53/63/12/791536312.db2.gz ZKWOGQFKZVTOHI-QWRGUYRKSA-N 1 0 341.412 -1.301 20 0 EAADRO CC(C)CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001275267981 791536399 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C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001275274790 791536272 /nfs/dbraw/zinc/53/62/72/791536272.db2.gz UPZCLKQCDAFNEC-RYUDHWBXSA-N 1 0 326.397 -1.582 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001275278626 791535711 /nfs/dbraw/zinc/53/57/11/791535711.db2.gz GRZBWPIMQJIJAA-RTBKNWGFSA-N 1 0 333.414 -2.299 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001275278627 791535865 /nfs/dbraw/zinc/53/58/65/791535865.db2.gz GRZBWPIMQJIJAA-UDNWOFFPSA-N 1 0 333.414 -2.299 20 0 EAADRO CS(=O)(=O)CC[NH2+]CC1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001275279074 791536068 /nfs/dbraw/zinc/53/60/68/791536068.db2.gz MGFDKCNPFQKBEV-UHFFFAOYSA-N 1 0 328.394 -1.088 20 0 EAADRO C[C@@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1cnoc1 ZINC001275280803 791535624 /nfs/dbraw/zinc/53/56/24/791535624.db2.gz VVIRIXHBPZMQCE-CMPLNLGQSA-N 1 0 338.364 -1.179 20 0 EAADRO C[C@@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1cnoc1 ZINC001275280804 791535724 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CNC(=O)C1(C(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001275294633 791536935 /nfs/dbraw/zinc/53/69/35/791536935.db2.gz ILSNLIHRDMIIRC-UHFFFAOYSA-N 1 0 346.453 -1.454 20 0 EAADRO COCC[NH2+]CC1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001275295255 791537267 /nfs/dbraw/zinc/53/72/67/791537267.db2.gz OQKRMXFUBUSNIE-UHFFFAOYSA-N 1 0 326.353 -1.462 20 0 EAADRO O=C(C[NH2+]CC1CC(NC(=O)C2CC(=O)NC(=O)C2)C1)NC1CC1 ZINC001275295466 791537044 /nfs/dbraw/zinc/53/70/44/791537044.db2.gz PSQDKQNHDRMYOT-UHFFFAOYSA-N 1 0 336.392 -1.198 20 0 EAADRO COC[C@H](O)C[NH2+]CC1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001275295894 791537094 /nfs/dbraw/zinc/53/70/94/791537094.db2.gz VMAMJBYJZUPSAJ-QEWOUOOISA-N 1 0 327.381 -1.469 20 0 EAADRO Cn1ncc(C(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001275295916 791537474 /nfs/dbraw/zinc/53/74/74/791537474.db2.gz WIQVLQATKKTENH-UHFFFAOYSA-N 1 0 330.414 -1.538 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001275296899 791537184 /nfs/dbraw/zinc/53/71/84/791537184.db2.gz AXCZYMRIBVAQSY-XPTSAGLGSA-N 1 0 325.369 -1.699 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)c2nnc[nH]2)C1 ZINC001275299074 791536869 /nfs/dbraw/zinc/53/68/69/791536869.db2.gz FJKLEHSRKIUJSW-UHFFFAOYSA-N 1 0 330.414 -1.158 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001275309645 791537405 /nfs/dbraw/zinc/53/74/05/791537405.db2.gz GOCJAPOENGEHJF-SDDRHHMPSA-N 1 0 343.428 -1.179 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001275311084 791537002 /nfs/dbraw/zinc/53/70/02/791537002.db2.gz YCFKHZJZCVMILE-MCIGGMRASA-N 1 0 346.453 -1.311 20 0 EAADRO CN1CC(=O)N(CC(=O)NC2CC(C[NH2+]CCn3cncn3)C2)C1=O ZINC001275317344 791537146 /nfs/dbraw/zinc/53/71/46/791537146.db2.gz AQKNKOKJCWAZOL-UHFFFAOYSA-N 1 0 349.395 -1.344 20 0 EAADRO CS(=O)(=O)CC[NH2+]CC1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001275317592 791537463 /nfs/dbraw/zinc/53/74/63/791537463.db2.gz GLKSTTYOMLRFII-UHFFFAOYSA-N 1 0 346.409 -1.933 20 0 EAADRO COC[C@H](O)C[NH2+]CC1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001275317611 791536898 /nfs/dbraw/zinc/53/68/98/791536898.db2.gz GXEZYHXGVSEQJL-HTAVTVPLSA-N 1 0 327.381 -1.373 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001275317612 791537505 /nfs/dbraw/zinc/53/75/05/791537505.db2.gz GXEZYHXGVSEQJL-MCIGGMRASA-N 1 0 327.381 -1.373 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001275318103 791536733 /nfs/dbraw/zinc/53/67/33/791536733.db2.gz QIEFVOIVNRLGCV-IDKOKCKLSA-N 1 0 325.369 -1.843 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001275318104 791537278 /nfs/dbraw/zinc/53/72/78/791537278.db2.gz QIEFVOIVNRLGCV-XNWIYYODSA-N 1 0 325.369 -1.843 20 0 EAADRO Cn1cc(C[NH2+]CC2CC(NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001275318280 791538691 /nfs/dbraw/zinc/53/86/91/791538691.db2.gz XVWNNMINSGVAMY-CBINBANVSA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1cc(C[NH2+]CC2CC(NC(=O)CC[C@H]3NC(=O)NC3=O)C2)nn1 ZINC001275318281 791538822 /nfs/dbraw/zinc/53/88/22/791538822.db2.gz XVWNNMINSGVAMY-RTYFJBAXSA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1ncc(C[NH2+]CC2CC(NC(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001275318293 791538759 /nfs/dbraw/zinc/53/87/59/791538759.db2.gz YDIWCOCSAXHGQF-CBINBANVSA-N 1 0 349.395 -1.212 20 0 EAADRO Cn1ncc(C[NH2+]CC2CC(NC(=O)CC[C@H]3NC(=O)NC3=O)C2)n1 ZINC001275318294 791539048 /nfs/dbraw/zinc/53/90/48/791539048.db2.gz YDIWCOCSAXHGQF-RTYFJBAXSA-N 1 0 349.395 -1.212 20 0 EAADRO C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001275319444 791537828 /nfs/dbraw/zinc/53/78/28/791537828.db2.gz GLVMUWJSMSYXAK-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]CCN1CCCC1=O ZINC001275319445 791537153 /nfs/dbraw/zinc/53/71/53/791537153.db2.gz GLVMUWJSMSYXAK-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1c[nH]cn1 ZINC001275320228 791538435 /nfs/dbraw/zinc/53/84/35/791538435.db2.gz ONLNDLTUYJBHPY-CMPLNLGQSA-N 1 0 337.380 -1.444 20 0 EAADRO C[C@@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1c[nH]cn1 ZINC001275320229 791539035 /nfs/dbraw/zinc/53/90/35/791539035.db2.gz ONLNDLTUYJBHPY-JQWIXIFHSA-N 1 0 337.380 -1.444 20 0 EAADRO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001275320479 791538228 /nfs/dbraw/zinc/53/82/28/791538228.db2.gz TUAPVTCKPNFHTD-UWVGGRQHSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001275320480 791538360 /nfs/dbraw/zinc/53/83/60/791538360.db2.gz TUAPVTCKPNFHTD-VHSXEESVSA-N 1 0 348.425 -1.833 20 0 EAADRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C1CCS(=O)(=O)CC1 ZINC001275327935 791539069 /nfs/dbraw/zinc/53/90/69/791539069.db2.gz GBURGQYEIRYQTI-GXSJLCMTSA-N 1 0 345.421 -1.289 20 0 EAADRO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C1CCS(=O)(=O)CC1 ZINC001275327936 791538974 /nfs/dbraw/zinc/53/89/74/791538974.db2.gz GBURGQYEIRYQTI-ONGXEEELSA-N 1 0 345.421 -1.289 20 0 EAADRO C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275328151 791539008 /nfs/dbraw/zinc/53/90/08/791539008.db2.gz KLIZXSNWWPUHBJ-QMMMGPOBSA-N 1 0 348.381 -2.454 20 0 EAADRO C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275328155 791538372 /nfs/dbraw/zinc/53/83/72/791538372.db2.gz KNUSXYJUZINPBH-VIFPVBQESA-N 1 0 339.352 -2.266 20 0 EAADRO C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)C1CCS(=O)(=O)CC1 ZINC001275328308 791538640 /nfs/dbraw/zinc/53/86/40/791538640.db2.gz NFEZANHMMGJFCZ-JTQLQIEISA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001275328420 791538094 /nfs/dbraw/zinc/53/80/94/791538094.db2.gz RHKNJJWGGYBZRV-VIFPVBQESA-N 1 0 346.409 -2.164 20 0 EAADRO C[NH+](C)CCN1CC2(CN(S(=O)(=O)c3cn[nH]c3)C2)OCC1=O ZINC001275336650 791538176 /nfs/dbraw/zinc/53/81/76/791538176.db2.gz BOLKYBPIKJUMCC-UHFFFAOYSA-N 1 0 343.409 -1.427 20 0 EAADRO C[NH+](C)CCN1C(=O)COCC12CN(S(=O)(=O)c1cn[nH]c1)C2 ZINC001275337908 791538118 /nfs/dbraw/zinc/53/81/18/791538118.db2.gz PHMBLCGTBLMMFQ-UHFFFAOYSA-N 1 0 343.409 -1.427 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001275341911 791538926 /nfs/dbraw/zinc/53/89/26/791538926.db2.gz VUGUBNXIIHTVHL-NXEZZACHSA-N 1 0 327.385 -1.453 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001275341912 791539089 /nfs/dbraw/zinc/53/90/89/791539089.db2.gz VUGUBNXIIHTVHL-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO CC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001275341913 791538514 /nfs/dbraw/zinc/53/85/14/791538514.db2.gz VUGUBNXIIHTVHL-VHSXEESVSA-N 1 0 327.385 -1.453 20 0 EAADRO CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001275341914 791538751 /nfs/dbraw/zinc/53/87/51/791538751.db2.gz VUGUBNXIIHTVHL-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001275347661 791538806 /nfs/dbraw/zinc/53/88/06/791538806.db2.gz JREIOLDJRNNDKU-BDAKNGLRSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@@H](NC(=O)c1ccc(=O)[nH]n1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001275347662 791538553 /nfs/dbraw/zinc/53/85/53/791538553.db2.gz JREIOLDJRNNDKU-DTWKUNHWSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@H](NC(=O)c1ccc(=O)[nH]n1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001275347663 791538235 /nfs/dbraw/zinc/53/82/35/791538235.db2.gz JREIOLDJRNNDKU-IUCAKERBSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@@H](NC(=O)c1ccc(=O)[nH]n1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001275347664 791539096 /nfs/dbraw/zinc/53/90/96/791539096.db2.gz JREIOLDJRNNDKU-RKDXNWHRSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@@H](NC(=O)CN1CCCC1=O)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001275347861 791538992 /nfs/dbraw/zinc/53/89/92/791538992.db2.gz LKAZMCLSWQWCPX-GHMZBOCLSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)CN1CCCC1=O ZINC001275347863 791538198 /nfs/dbraw/zinc/53/81/98/791538198.db2.gz LKAZMCLSWQWCPX-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H](NC(=O)CN1CCCC1=O)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001275347865 791538815 /nfs/dbraw/zinc/53/88/15/791538815.db2.gz LKAZMCLSWQWCPX-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H](NC(=O)CN1CCCC1=O)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001275347866 791538204 /nfs/dbraw/zinc/53/82/04/791538204.db2.gz LKAZMCLSWQWCPX-WDEREUQCSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)[C@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001275348967 791538838 /nfs/dbraw/zinc/53/88/38/791538838.db2.gz RHBOVOFCJZCPEN-NEPJUHHUSA-N 1 0 349.391 -1.625 20 0 EAADRO C[C@@H](NC(=O)c1cc[n+]([O-])cc1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001275348969 791538603 /nfs/dbraw/zinc/53/86/03/791538603.db2.gz RHBOVOFCJZCPEN-NWDGAFQWSA-N 1 0 349.391 -1.625 20 0 EAADRO C[C@H](NC(=O)c1cc[n+]([O-])cc1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001275348971 791539026 /nfs/dbraw/zinc/53/90/26/791539026.db2.gz RHBOVOFCJZCPEN-RYUDHWBXSA-N 1 0 349.391 -1.625 20 0 EAADRO C[C@@H](NC(=O)c1cc[n+]([O-])cc1)[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001275348973 791538852 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ZINC001275468366 791543194 /nfs/dbraw/zinc/54/31/94/791543194.db2.gz APARHXIPFIRJKP-RKDXNWHRSA-N 1 0 338.372 -1.752 20 0 EAADRO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001275468499 791543465 /nfs/dbraw/zinc/54/34/65/791543465.db2.gz CEGFZPDEFANTEU-BDAKNGLRSA-N 1 0 345.367 -1.157 20 0 EAADRO C[C@@H](NC(=O)c1nnn(C)n1)[C@H](C)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001275468500 791542992 /nfs/dbraw/zinc/54/29/92/791542992.db2.gz CEGFZPDEFANTEU-DTWKUNHWSA-N 1 0 345.367 -1.157 20 0 EAADRO C[C@H](NC(=O)c1nnn(C)n1)[C@H](C)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001275468501 791543489 /nfs/dbraw/zinc/54/34/89/791543489.db2.gz CEGFZPDEFANTEU-IUCAKERBSA-N 1 0 345.367 -1.157 20 0 EAADRO C[C@@H](NC(=O)c1nnn(C)n1)[C@@H](C)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001275468502 791543358 /nfs/dbraw/zinc/54/33/58/791543358.db2.gz CEGFZPDEFANTEU-RKDXNWHRSA-N 1 0 345.367 -1.157 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001275476382 791543012 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337.384 -1.228 20 0 EAADRO C[C@@H](NC(=O)CCc1cn[nH]n1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001275490090 791543474 /nfs/dbraw/zinc/54/34/74/791543474.db2.gz BWJGBZNKPMHQQK-VHSXEESVSA-N 1 0 337.384 -1.228 20 0 EAADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)CCc1cn[nH]n1 ZINC001275490091 791543102 /nfs/dbraw/zinc/54/31/02/791543102.db2.gz BWJGBZNKPMHQQK-ZJUUUORDSA-N 1 0 337.384 -1.228 20 0 EAADRO CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275502791 791544675 /nfs/dbraw/zinc/54/46/75/791544675.db2.gz OAWAVVSHIRBIQW-NXEZZACHSA-N 1 0 328.369 -1.074 20 0 EAADRO CCOCC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275502792 791544404 /nfs/dbraw/zinc/54/44/04/791544404.db2.gz OAWAVVSHIRBIQW-UWVGGRQHSA-N 1 0 328.369 -1.074 20 0 EAADRO CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275502793 791544139 /nfs/dbraw/zinc/54/41/39/791544139.db2.gz OAWAVVSHIRBIQW-VHSXEESVSA-N 1 0 328.369 -1.074 20 0 EAADRO CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275502794 791544427 /nfs/dbraw/zinc/54/44/27/791544427.db2.gz OAWAVVSHIRBIQW-ZJUUUORDSA-N 1 0 328.369 -1.074 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCN1C(=O)CNC1=O ZINC001275507160 791546094 /nfs/dbraw/zinc/54/60/94/791546094.db2.gz WVFNLLBHHDTUIV-JTQLQIEISA-N 1 0 327.385 -1.547 20 0 EAADRO CC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCN1C(=O)CNC1=O ZINC001275507161 791546404 /nfs/dbraw/zinc/54/64/04/791546404.db2.gz WVFNLLBHHDTUIV-SNVBAGLBSA-N 1 0 327.385 -1.547 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001275516882 791545835 /nfs/dbraw/zinc/54/58/35/791545835.db2.gz RVKSASNJVXDOJY-BDAKNGLRSA-N 1 0 327.385 -1.549 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001275516883 791545379 /nfs/dbraw/zinc/54/53/79/791545379.db2.gz RVKSASNJVXDOJY-DTWKUNHWSA-N 1 0 327.385 -1.549 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001275516884 791545581 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YTAAKBJKAWZDAA-ZJUUUORDSA-N 1 0 347.437 -1.043 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001275526622 791546213 /nfs/dbraw/zinc/54/62/13/791546213.db2.gz HNBXSZUENKIFSR-BDAKNGLRSA-N 1 0 327.385 -1.549 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001275526623 791545032 /nfs/dbraw/zinc/54/50/32/791545032.db2.gz HNBXSZUENKIFSR-DTWKUNHWSA-N 1 0 327.385 -1.549 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001275526624 791545335 /nfs/dbraw/zinc/54/53/35/791545335.db2.gz HNBXSZUENKIFSR-IUCAKERBSA-N 1 0 327.385 -1.549 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001275526625 791546018 /nfs/dbraw/zinc/54/60/18/791546018.db2.gz HNBXSZUENKIFSR-RKDXNWHRSA-N 1 0 327.385 -1.549 20 0 EAADRO C[C@H](C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)NC(=O)CC(N)=O ZINC001275528686 791545489 /nfs/dbraw/zinc/54/54/89/791545489.db2.gz PDMXZWMNQDTWQX-GHMZBOCLSA-N 1 0 334.442 -1.420 20 0 EAADRO C[C@H](C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)NC(=O)CC(N)=O ZINC001275528688 791545447 /nfs/dbraw/zinc/54/54/47/791545447.db2.gz PDMXZWMNQDTWQX-MNOVXSKESA-N 1 0 334.442 -1.420 20 0 EAADRO C[C@@H](C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)NC(=O)CC(N)=O ZINC001275528690 791545272 /nfs/dbraw/zinc/54/52/72/791545272.db2.gz PDMXZWMNQDTWQX-QWRGUYRKSA-N 1 0 334.442 -1.420 20 0 EAADRO C[C@@H](C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)NC(=O)CC(N)=O ZINC001275528691 791545123 /nfs/dbraw/zinc/54/51/23/791545123.db2.gz PDMXZWMNQDTWQX-WDEREUQCSA-N 1 0 334.442 -1.420 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275539995 791546392 /nfs/dbraw/zinc/54/63/92/791546392.db2.gz LURFGSQOIYEHIG-GHMZBOCLSA-N 1 0 341.412 -1.112 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275539997 791545655 /nfs/dbraw/zinc/54/56/55/791545655.db2.gz LURFGSQOIYEHIG-MNOVXSKESA-N 1 0 341.412 -1.112 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O 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20 0 EAADRO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H](C[NH2+]CCO)C1CC1 ZINC001277726647 794599367 /nfs/dbraw/zinc/59/93/67/794599367.db2.gz MUGSQEPLBBQCHY-CYBMUJFWSA-N 1 0 333.454 -1.464 20 0 EAADRO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H](C[NH2+]CCO)C1CC1 ZINC001277726648 794600217 /nfs/dbraw/zinc/60/02/17/794600217.db2.gz MUGSQEPLBBQCHY-ZDUSSCGKSA-N 1 0 333.454 -1.464 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001277749579 794600241 /nfs/dbraw/zinc/60/02/41/794600241.db2.gz YBSDYZDGUJPPSD-HTQZYQBOSA-N 1 0 349.338 -1.468 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001277749580 794600204 /nfs/dbraw/zinc/60/02/04/794600204.db2.gz YBSDYZDGUJPPSD-JGVFFNPUSA-N 1 0 349.338 -1.468 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001277749581 794599681 /nfs/dbraw/zinc/59/96/81/794599681.db2.gz YBSDYZDGUJPPSD-SFYZADRCSA-N 1 0 349.338 -1.468 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001277749582 794600197 /nfs/dbraw/zinc/60/01/97/794600197.db2.gz YBSDYZDGUJPPSD-YUMQZZPRSA-N 1 0 349.338 -1.468 20 0 EAADRO C[C@H](CN(C)C(=O)c1cc[n+]([O-])cc1)[NH2+]CCNS(C)(=O)=O ZINC001277752231 794599988 /nfs/dbraw/zinc/59/99/88/794599988.db2.gz QSIJREUGCBCEFC-LLVKDONJSA-N 1 0 330.410 -1.081 20 0 EAADRO C[C@@H](CN(C)C(=O)c1cc[n+]([O-])cc1)[NH2+]CCNS(C)(=O)=O ZINC001277752234 794599952 /nfs/dbraw/zinc/59/99/52/794599952.db2.gz QSIJREUGCBCEFC-NSHDSACASA-N 1 0 330.410 -1.081 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001277757938 794600199 /nfs/dbraw/zinc/60/01/99/794600199.db2.gz YPYBVIYDLCDDGE-GHMZBOCLSA-N 1 0 334.442 -1.278 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001277757939 794600879 /nfs/dbraw/zinc/60/08/79/794600879.db2.gz YPYBVIYDLCDDGE-MNOVXSKESA-N 1 0 334.442 -1.278 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001277757940 794601845 /nfs/dbraw/zinc/60/18/45/794601845.db2.gz YPYBVIYDLCDDGE-QWRGUYRKSA-N 1 0 334.442 -1.278 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001277757941 794600962 /nfs/dbraw/zinc/60/09/62/794600962.db2.gz YPYBVIYDLCDDGE-WDEREUQCSA-N 1 0 334.442 -1.278 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001277760692 794601034 /nfs/dbraw/zinc/60/10/34/794601034.db2.gz WKEMKVLLCAJTOR-JTQLQIEISA-N 1 0 327.385 -1.547 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001277760693 794601629 /nfs/dbraw/zinc/60/16/29/794601629.db2.gz WKEMKVLLCAJTOR-SNVBAGLBSA-N 1 0 327.385 -1.547 20 0 EAADRO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]CCCN1C(=O)CNC1=O ZINC001277767371 794602212 /nfs/dbraw/zinc/60/22/12/794602212.db2.gz SNSVHRMBMDUBSF-JTQLQIEISA-N 1 0 348.425 -1.591 20 0 EAADRO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]CCCN1C(=O)CNC1=O ZINC001277767372 794601730 /nfs/dbraw/zinc/60/17/30/794601730.db2.gz SNSVHRMBMDUBSF-SNVBAGLBSA-N 1 0 348.425 -1.591 20 0 EAADRO C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780460 794601826 /nfs/dbraw/zinc/60/18/26/794601826.db2.gz GAJAXBRLQJYGRX-NEPJUHHUSA-N 1 0 336.458 -1.697 20 0 EAADRO C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780461 794601606 /nfs/dbraw/zinc/60/16/06/794601606.db2.gz GAJAXBRLQJYGRX-NWDGAFQWSA-N 1 0 336.458 -1.697 20 0 EAADRO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780463 794602101 /nfs/dbraw/zinc/60/21/01/794602101.db2.gz GAJAXBRLQJYGRX-RYUDHWBXSA-N 1 0 336.458 -1.697 20 0 EAADRO C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780464 794601558 /nfs/dbraw/zinc/60/15/58/794601558.db2.gz GAJAXBRLQJYGRX-VXGBXAGGSA-N 1 0 336.458 -1.697 20 0 EAADRO C[C@H](CN(C)C(=O)CC(N)=O)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001277783661 794602019 /nfs/dbraw/zinc/60/20/19/794602019.db2.gz XRPIXJPJJXCECH-NXEZZACHSA-N 1 0 328.369 -2.192 20 0 EAADRO C[C@@H](CN(C)C(=O)CC(N)=O)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001277783662 794600770 /nfs/dbraw/zinc/60/07/70/794600770.db2.gz XRPIXJPJJXCECH-UWVGGRQHSA-N 1 0 328.369 -2.192 20 0 EAADRO C[C@@H](CN(C)C(=O)CC(N)=O)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001277783663 794601029 /nfs/dbraw/zinc/60/10/29/794601029.db2.gz XRPIXJPJJXCECH-VHSXEESVSA-N 1 0 328.369 -2.192 20 0 EAADRO C[C@H](CN(C)C(=O)CC(N)=O)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001277783664 794600883 /nfs/dbraw/zinc/60/08/83/794600883.db2.gz XRPIXJPJJXCECH-ZJUUUORDSA-N 1 0 328.369 -2.192 20 0 EAADRO C[C@H](CN(C)C(=O)CC(N)=O)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001277784078 794601708 /nfs/dbraw/zinc/60/17/08/794601708.db2.gz YWNGVXVXNLASNY-BDAKNGLRSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001277784080 794601719 /nfs/dbraw/zinc/60/17/19/794601719.db2.gz YWNGVXVXNLASNY-DTWKUNHWSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H](CN(C)C(=O)CC(N)=O)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001277784081 794601981 /nfs/dbraw/zinc/60/19/81/794601981.db2.gz YWNGVXVXNLASNY-IUCAKERBSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@H](CN(C)C(=O)CC(N)=O)[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001277784083 794601536 /nfs/dbraw/zinc/60/15/36/794601536.db2.gz YWNGVXVXNLASNY-RKDXNWHRSA-N 1 0 327.385 -1.325 20 0 EAADRO C[C@@H](CN(C)C(=O)CCc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001277793774 794600657 /nfs/dbraw/zinc/60/06/57/794600657.db2.gz VGTQHOPXDASXLF-JTQLQIEISA-N 1 0 337.384 -1.274 20 0 EAADRO C[C@H](CN(C)C(=O)CCc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001277793775 794601259 /nfs/dbraw/zinc/60/12/59/794601259.db2.gz VGTQHOPXDASXLF-SNVBAGLBSA-N 1 0 337.384 -1.274 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001277795644 794601263 /nfs/dbraw/zinc/60/12/63/794601263.db2.gz AJZPFNJQDMPPBL-CYBMUJFWSA-N 1 0 348.469 -1.015 20 0 EAADRO CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001277795645 794600808 /nfs/dbraw/zinc/60/08/08/794600808.db2.gz AJZPFNJQDMPPBL-ZDUSSCGKSA-N 1 0 348.469 -1.015 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC001277795908 794601297 /nfs/dbraw/zinc/60/12/97/794601297.db2.gz CYNJVGGMGYBCRR-GFCCVEGCSA-N 1 0 335.364 -1.030 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC001277795911 794602161 /nfs/dbraw/zinc/60/21/61/794602161.db2.gz CYNJVGGMGYBCRR-LBPRGKRZSA-N 1 0 335.364 -1.030 20 0 EAADRO CC[C@@H](C)[NH+]1CC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277804531 794605322 /nfs/dbraw/zinc/60/53/22/794605322.db2.gz AHEYHUJIUOBJEK-CGHQTKRJSA-N 1 0 330.381 -2.271 20 0 EAADRO CC[C@H](C)[NH+]1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277804539 794604943 /nfs/dbraw/zinc/60/49/43/794604943.db2.gz AHEYHUJIUOBJEK-CUEABSMRSA-N 1 0 330.381 -2.271 20 0 EAADRO CC[C@H](C)[NH+]1CC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277804541 794604509 /nfs/dbraw/zinc/60/45/09/794604509.db2.gz AHEYHUJIUOBJEK-LZWWFPGGSA-N 1 0 330.381 -2.271 20 0 EAADRO CC[C@@H](C)[NH+]1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277804543 794605099 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CC[C@@H](C)[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277804915 794604964 /nfs/dbraw/zinc/60/49/64/794604964.db2.gz FHHPHXUFBKNRFG-COSVPJDISA-N 1 0 344.408 -1.883 20 0 EAADRO CC[C@H](C)[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277804916 794604679 /nfs/dbraw/zinc/60/46/79/794604679.db2.gz FHHPHXUFBKNRFG-DIMBYHICSA-N 1 0 344.408 -1.883 20 0 EAADRO CC[C@@H](C)[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277804917 794604870 /nfs/dbraw/zinc/60/48/70/794604870.db2.gz FHHPHXUFBKNRFG-RIGSQHMBSA-N 1 0 344.408 -1.883 20 0 EAADRO CC[C@H](C)[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277804918 794604578 /nfs/dbraw/zinc/60/45/78/794604578.db2.gz FHHPHXUFBKNRFG-SKGOXRFPSA-N 1 0 344.408 -1.883 20 0 EAADRO CC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001277805964 794607268 /nfs/dbraw/zinc/60/72/68/794607268.db2.gz 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ZINC001277920279 794633882 /nfs/dbraw/zinc/63/38/82/794633882.db2.gz WYEFOGWQILPCCI-ILOGHGLZSA-N 1 0 328.365 -2.517 20 0 EAADRO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)CC[NH+](C1CC1)CC2 ZINC001277920288 794634635 /nfs/dbraw/zinc/63/46/35/794634635.db2.gz XFQCXCKOCBBVPI-IHWVXMPCSA-N 1 0 342.392 -2.127 20 0 EAADRO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)CC[NH+](C1CC1)CC2 ZINC001277920289 794634058 /nfs/dbraw/zinc/63/40/58/794634058.db2.gz XFQCXCKOCBBVPI-PFFFPCNUSA-N 1 0 342.392 -2.127 20 0 EAADRO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2CC[N@H+](C3CC3)[C@@H]2C1 ZINC001277920341 794634239 /nfs/dbraw/zinc/63/42/39/794634239.db2.gz YYTCUDRBQTYWQL-AUUUHIRESA-N 1 0 328.365 -2.519 20 0 EAADRO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2CC[N@H+](C3CC3)[C@@H]2C1 ZINC001277920342 794634315 /nfs/dbraw/zinc/63/43/15/794634315.db2.gz YYTCUDRBQTYWQL-HSPXUQGOSA-N 1 0 328.365 -2.519 20 0 EAADRO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@@H+](C1CC1)C2 ZINC001277920350 794634202 /nfs/dbraw/zinc/63/42/02/794634202.db2.gz ZELQDLLWFBIOCG-HWNQQJFPSA-N 1 0 328.365 -2.519 20 0 EAADRO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@@H+](C1CC1)C2 ZINC001277920351 794634778 /nfs/dbraw/zinc/63/47/78/794634778.db2.gz ZELQDLLWFBIOCG-NANQLQFISA-N 1 0 328.365 -2.519 20 0 EAADRO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CC1 ZINC001277920359 794634381 /nfs/dbraw/zinc/63/43/81/794634381.db2.gz ZMFPBNFMIUDGHM-BKKKSXESSA-N 1 0 328.365 -2.376 20 0 EAADRO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CC1 ZINC001277920360 794634416 /nfs/dbraw/zinc/63/44/16/794634416.db2.gz ZMFPBNFMIUDGHM-YRTQZTBLSA-N 1 0 328.365 -2.376 20 0 EAADRO C[C@H](CN(C)C(=O)C(N)=O)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC001277921594 794634021 /nfs/dbraw/zinc/63/40/21/794634021.db2.gz HOORLFZRNHODBP-GHMZBOCLSA-N 1 0 336.396 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CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001277921676 794633842 /nfs/dbraw/zinc/63/38/42/794633842.db2.gz IOYABAOGSDFBPB-IUCAKERBSA-N 1 0 327.385 -1.468 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001277921679 794634648 /nfs/dbraw/zinc/63/46/48/794634648.db2.gz IOYABAOGSDFBPB-RKDXNWHRSA-N 1 0 327.385 -1.468 20 0 EAADRO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001277922467 794634505 /nfs/dbraw/zinc/63/45/05/794634505.db2.gz NVEOXSKLQURKPF-LLVKDONJSA-N 1 0 342.421 -1.113 20 0 EAADRO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001277922470 794634642 /nfs/dbraw/zinc/63/46/42/794634642.db2.gz NVEOXSKLQURKPF-NSHDSACASA-N 1 0 342.421 -1.113 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001277922863 794634537 /nfs/dbraw/zinc/63/45/37/794634537.db2.gz RDTIRGLNKSVBFF-CMPLNLGQSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001277922867 794634693 /nfs/dbraw/zinc/63/46/93/794634693.db2.gz RDTIRGLNKSVBFF-JQWIXIFHSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001277922870 794634320 /nfs/dbraw/zinc/63/43/20/794634320.db2.gz RDTIRGLNKSVBFF-PWSUYJOCSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001277922871 794633895 /nfs/dbraw/zinc/63/38/95/794633895.db2.gz RDTIRGLNKSVBFF-ZYHUDNBSSA-N 1 0 341.412 -1.965 20 0 EAADRO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001277923236 794634705 /nfs/dbraw/zinc/63/47/05/794634705.db2.gz XUHICOYTZIWGKT-CMPLNLGQSA-N 1 0 326.397 -1.454 20 0 EAADRO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001277923238 794634388 /nfs/dbraw/zinc/63/43/88/794634388.db2.gz XUHICOYTZIWGKT-JQWIXIFHSA-N 1 0 326.397 -1.454 20 0 EAADRO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001277923239 794633962 /nfs/dbraw/zinc/63/39/62/794633962.db2.gz XUHICOYTZIWGKT-PWSUYJOCSA-N 1 0 326.397 -1.454 20 0 EAADRO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001277923241 794634763 /nfs/dbraw/zinc/63/47/63/794634763.db2.gz XUHICOYTZIWGKT-ZYHUDNBSSA-N 1 0 326.397 -1.454 20 0 EAADRO CN(CC[NH2+]C[C@H]1CCCN1C(=O)C1(C(N)=O)CC1)S(C)(=O)=O ZINC001277924441 794634824 /nfs/dbraw/zinc/63/48/24/794634824.db2.gz IABLDOHZIJRWRE-LLVKDONJSA-N 1 0 346.453 -1.276 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1)S(C)(=O)=O ZINC001277924442 794634441 /nfs/dbraw/zinc/63/44/41/794634441.db2.gz IABLDOHZIJRWRE-NSHDSACASA-N 1 0 346.453 -1.276 20 0 EAADRO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@H+]2C1CCCC1 ZINC001277928317 794634033 /nfs/dbraw/zinc/63/40/33/794634033.db2.gz FERUTIGJZJFXLG-KBQBNKOBSA-N 1 0 342.392 -1.986 20 0 EAADRO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@H+]2C1CCCC1 ZINC001277928320 794633824 /nfs/dbraw/zinc/63/38/24/794633824.db2.gz FERUTIGJZJFXLG-YVCXHOHASA-N 1 0 342.392 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CC(C)OCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001277932539 794635423 /nfs/dbraw/zinc/63/54/23/794635423.db2.gz ICOSIMGOUZFZFB-LBPRGKRZSA-N 1 0 328.413 -1.016 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001277932981 794635771 /nfs/dbraw/zinc/63/57/71/794635771.db2.gz RTWMUWPEQKWWSY-LLVKDONJSA-N 1 0 341.412 -1.963 20 0 EAADRO CCCNC(=O)CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001277932982 794635437 /nfs/dbraw/zinc/63/54/37/794635437.db2.gz RTWMUWPEQKWWSY-NSHDSACASA-N 1 0 341.412 -1.963 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001277933911 794636390 /nfs/dbraw/zinc/63/63/90/794636390.db2.gz ZCHDAWLKVPJCPU-JTQLQIEISA-N 1 0 327.385 -1.322 20 0 EAADRO CCCCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001277933912 794636170 /nfs/dbraw/zinc/63/61/70/794636170.db2.gz ZCHDAWLKVPJCPU-SNVBAGLBSA-N 1 0 327.385 -1.322 20 0 EAADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)[NH2+]CCN1CCNC1=O ZINC001277939033 794636468 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EAADRO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001277946362 794636840 /nfs/dbraw/zinc/63/68/40/794636840.db2.gz UAIWMNZADWARKI-CMPLNLGQSA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001277946363 794637794 /nfs/dbraw/zinc/63/77/94/794637794.db2.gz UAIWMNZADWARKI-JQWIXIFHSA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001277946364 794637373 /nfs/dbraw/zinc/63/73/73/794637373.db2.gz UAIWMNZADWARKI-PWSUYJOCSA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001277946365 794637760 /nfs/dbraw/zinc/63/77/60/794637760.db2.gz UAIWMNZADWARKI-ZYHUDNBSSA-N 1 0 341.412 -1.111 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C[NH2+]CCCO)C1=O ZINC001277948239 794639066 /nfs/dbraw/zinc/63/90/66/794639066.db2.gz SKVNPNRWHDVMTH-JTQLQIEISA-N 1 0 326.353 -1.630 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1=O ZINC001277948240 794638477 /nfs/dbraw/zinc/63/84/77/794638477.db2.gz SKVNPNRWHDVMTH-SNVBAGLBSA-N 1 0 326.353 -1.630 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001277949138 794638850 /nfs/dbraw/zinc/63/88/50/794638850.db2.gz ZBWVAZKXUCSRRK-BDAKNGLRSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001277949140 794638920 /nfs/dbraw/zinc/63/89/20/794638920.db2.gz ZBWVAZKXUCSRRK-DTWKUNHWSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001277949142 794639007 /nfs/dbraw/zinc/63/90/07/794639007.db2.gz ZBWVAZKXUCSRRK-IUCAKERBSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001277949144 794638799 /nfs/dbraw/zinc/63/87/99/794638799.db2.gz ZBWVAZKXUCSRRK-RKDXNWHRSA-N 1 0 339.352 -2.139 20 0 EAADRO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]CCNS(C)(=O)=O ZINC001277953605 794638621 /nfs/dbraw/zinc/63/86/21/794638621.db2.gz CTLRMCNBIIMJMB-BDAKNGLRSA-N 1 0 349.413 -2.430 20 0 EAADRO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]CCNS(C)(=O)=O ZINC001277953606 794638859 /nfs/dbraw/zinc/63/88/59/794638859.db2.gz CTLRMCNBIIMJMB-IUCAKERBSA-N 1 0 349.413 -2.430 20 0 EAADRO COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001277954020 794638794 /nfs/dbraw/zinc/63/87/94/794638794.db2.gz KKGQSHWBRYQUEZ-NXEZZACHSA-N 1 0 328.369 -1.122 20 0 EAADRO COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001277954021 794639060 /nfs/dbraw/zinc/63/90/60/794639060.db2.gz KKGQSHWBRYQUEZ-UWVGGRQHSA-N 1 0 328.369 -1.122 20 0 EAADRO COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001277954022 794639024 /nfs/dbraw/zinc/63/90/24/794639024.db2.gz KKGQSHWBRYQUEZ-VHSXEESVSA-N 1 0 328.369 -1.122 20 0 EAADRO COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001277954023 794638839 /nfs/dbraw/zinc/63/88/39/794638839.db2.gz KKGQSHWBRYQUEZ-ZJUUUORDSA-N 1 0 328.369 -1.122 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277954689 794640003 /nfs/dbraw/zinc/64/00/03/794640003.db2.gz GWIPVKPGWFYWEK-IGZNQDHTSA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277954690 794640217 /nfs/dbraw/zinc/64/02/17/794640217.db2.gz GWIPVKPGWFYWEK-LMBWRVDHSA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277954691 794639954 /nfs/dbraw/zinc/63/99/54/794639954.db2.gz GWIPVKPGWFYWEK-PPNANGTLSA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277954692 794639895 /nfs/dbraw/zinc/63/98/95/794639895.db2.gz GWIPVKPGWFYWEK-YMNAINHFSA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001277954911 794639521 /nfs/dbraw/zinc/63/95/21/794639521.db2.gz JSUNCZMTCVWSFB-CGHQTKRJSA-N 1 0 346.380 -3.299 20 0 EAADRO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001277954912 794639692 /nfs/dbraw/zinc/63/96/92/794639692.db2.gz JSUNCZMTCVWSFB-CUEABSMRSA-N 1 0 346.380 -3.299 20 0 EAADRO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001277954913 794640057 /nfs/dbraw/zinc/64/00/57/794640057.db2.gz JSUNCZMTCVWSFB-LZWWFPGGSA-N 1 0 346.380 -3.299 20 0 EAADRO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001277954914 794639966 /nfs/dbraw/zinc/63/99/66/794639966.db2.gz JSUNCZMTCVWSFB-OZJFSBSRSA-N 1 0 346.380 -3.299 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277955005 794639819 /nfs/dbraw/zinc/63/98/19/794639819.db2.gz KHLOVVOGPBCCQO-JKLGGGPVSA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277955007 794639863 /nfs/dbraw/zinc/63/98/63/794639863.db2.gz KHLOVVOGPBCCQO-RPBSSFHMSA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277955008 794640193 /nfs/dbraw/zinc/64/01/93/794640193.db2.gz KHLOVVOGPBCCQO-UIUPBXLSSA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001277955011 794639750 /nfs/dbraw/zinc/63/97/50/794639750.db2.gz KHLOVVOGPBCCQO-ZNHOSXIISA-N 1 0 346.380 -3.158 20 0 EAADRO C[C@H](CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O)[NH2+][C@H](C)C(N)=O ZINC001277955277 794640096 /nfs/dbraw/zinc/64/00/96/794640096.db2.gz YJZUFOXLGIJSQV-HTQZYQBOSA-N 1 0 327.341 -2.283 20 0 EAADRO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001277955279 794639973 /nfs/dbraw/zinc/63/99/73/794639973.db2.gz YJZUFOXLGIJSQV-JGVFFNPUSA-N 1 0 327.341 -2.283 20 0 EAADRO C[C@H](CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O)[NH2+][C@@H](C)C(N)=O ZINC001277955280 794640242 /nfs/dbraw/zinc/64/02/42/794640242.db2.gz YJZUFOXLGIJSQV-SFYZADRCSA-N 1 0 327.341 -2.283 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O)[NH2+][C@@H](C)C(N)=O ZINC001277955282 794639960 /nfs/dbraw/zinc/63/99/60/794639960.db2.gz YJZUFOXLGIJSQV-YUMQZZPRSA-N 1 0 327.341 -2.283 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277955517 794640205 /nfs/dbraw/zinc/64/02/05/794640205.db2.gz QYDUVYHOSUOKJL-GSIPVVDESA-N 1 0 346.380 -3.300 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277955518 794639980 /nfs/dbraw/zinc/63/99/80/794639980.db2.gz QYDUVYHOSUOKJL-IGZNQDHTSA-N 1 0 346.380 -3.300 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277955519 794640103 /nfs/dbraw/zinc/64/01/03/794640103.db2.gz QYDUVYHOSUOKJL-LMBWRVDHSA-N 1 0 346.380 -3.300 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001277955520 794640174 /nfs/dbraw/zinc/64/01/74/794640174.db2.gz QYDUVYHOSUOKJL-WJTOJDKDSA-N 1 0 346.380 -3.300 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H]2OCCN(C(=O)C3=CNN4C=CNC=C34)[C@H]2C1 ZINC001277955557 794639985 /nfs/dbraw/zinc/63/99/85/794639985.db2.gz RYSGSUGZBVRHIA-CQDKDKBSSA-N 1 0 333.392 -1.101 20 0 EAADRO C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)C1=CNN2C=CNC=C12 ZINC001277955558 794639703 /nfs/dbraw/zinc/63/97/03/794639703.db2.gz RYSGSUGZBVRHIA-DFBGVHRSSA-N 1 0 333.392 -1.101 20 0 EAADRO C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)C1=CNN2C=CNC=C12 ZINC001277955559 794640034 /nfs/dbraw/zinc/64/00/34/794640034.db2.gz RYSGSUGZBVRHIA-GLQYFDAESA-N 1 0 333.392 -1.101 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H]2OCCN(C(=O)C3=CNN4C=CNC=C34)[C@H]2C1 ZINC001277955560 794640137 /nfs/dbraw/zinc/64/01/37/794640137.db2.gz RYSGSUGZBVRHIA-UGFHNGPFSA-N 1 0 333.392 -1.101 20 0 EAADRO C[C@@H](O)C[NH+]1CC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277955585 794639880 /nfs/dbraw/zinc/63/98/80/794639880.db2.gz SLJADXLEMXKNRT-KXTOZSSYSA-N 1 0 332.353 -3.689 20 0 EAADRO C[C@H](O)C[NH+]1CC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277955586 794640051 /nfs/dbraw/zinc/64/00/51/794640051.db2.gz SLJADXLEMXKNRT-NTWGFAFESA-N 1 0 332.353 -3.689 20 0 EAADRO C[C@H](O)C[NH+]1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277955587 794640010 /nfs/dbraw/zinc/64/00/10/794640010.db2.gz SLJADXLEMXKNRT-URASHGAGSA-N 1 0 332.353 -3.689 20 0 EAADRO C[C@@H](O)C[NH+]1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277955588 794639856 /nfs/dbraw/zinc/63/98/56/794639856.db2.gz SLJADXLEMXKNRT-VCVVBWPESA-N 1 0 332.353 -3.689 20 0 EAADRO C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C1=CNN2C=CNC=C12 ZINC001277955744 794640088 /nfs/dbraw/zinc/64/00/88/794640088.db2.gz UMECITIWNAIVTI-RWMBFGLXSA-N 1 0 333.392 -1.101 20 0 EAADRO C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C1=CNN2C=CNC=C12 ZINC001277955745 794639925 /nfs/dbraw/zinc/63/99/25/794639925.db2.gz UMECITIWNAIVTI-UPJWGTAASA-N 1 0 333.392 -1.101 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001277956061 794639661 /nfs/dbraw/zinc/63/96/61/794639661.db2.gz GHCGCCKXWXYAGM-LLVKDONJSA-N 1 0 345.421 -1.336 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001277956062 794639873 /nfs/dbraw/zinc/63/98/73/794639873.db2.gz GHCGCCKXWXYAGM-NSHDSACASA-N 1 0 345.421 -1.336 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001277957261 794639743 /nfs/dbraw/zinc/63/97/43/794639743.db2.gz TVMCTMQFCPNHKL-LLVKDONJSA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)C1(C(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001277957262 794640557 /nfs/dbraw/zinc/64/05/57/794640557.db2.gz TVMCTMQFCPNHKL-NSHDSACASA-N 1 0 346.453 -1.358 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001277962002 794641454 /nfs/dbraw/zinc/64/14/54/794641454.db2.gz BLRKJPACJSIYMZ-BDAKNGLRSA-N 1 0 327.385 -1.468 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001277962003 794641073 /nfs/dbraw/zinc/64/10/73/794641073.db2.gz BLRKJPACJSIYMZ-DTWKUNHWSA-N 1 0 327.385 -1.468 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001277962004 794640507 /nfs/dbraw/zinc/64/05/07/794640507.db2.gz BLRKJPACJSIYMZ-IUCAKERBSA-N 1 0 327.385 -1.468 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001277962005 794641150 /nfs/dbraw/zinc/64/11/50/794641150.db2.gz BLRKJPACJSIYMZ-RKDXNWHRSA-N 1 0 327.385 -1.468 20 0 EAADRO C[C@H](CN(C)C(=O)C1CC(=O)NC(=O)C1)[NH2+][C@H](C)C(=O)N(C)C ZINC001277962036 794641855 /nfs/dbraw/zinc/64/18/55/794641855.db2.gz CAQBSQUTLIJNCE-NXEZZACHSA-N 1 0 326.397 -1.048 20 0 EAADRO C[C@@H](CN(C)C(=O)C1CC(=O)NC(=O)C1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001277962037 794640960 /nfs/dbraw/zinc/64/09/60/794640960.db2.gz CAQBSQUTLIJNCE-UWVGGRQHSA-N 1 0 326.397 -1.048 20 0 EAADRO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1)C(=O)N(C)C ZINC001277962038 794640947 /nfs/dbraw/zinc/64/09/47/794640947.db2.gz CAQBSQUTLIJNCE-VHSXEESVSA-N 1 0 326.397 -1.048 20 0 EAADRO C[C@H](CN(C)C(=O)C1CC(=O)NC(=O)C1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001277962039 794640924 /nfs/dbraw/zinc/64/09/24/794640924.db2.gz CAQBSQUTLIJNCE-ZJUUUORDSA-N 1 0 326.397 -1.048 20 0 EAADRO C[C@H](O)CN1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)c1cn(C)cn1 ZINC001277963665 794641210 /nfs/dbraw/zinc/64/12/10/794641210.db2.gz PHOWWGVJNOWXRF-SDDRHHMPSA-N 1 0 330.410 -1.125 20 0 EAADRO C[C@@H](O)CN1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)c1cn(C)cn1 ZINC001277963666 794641563 /nfs/dbraw/zinc/64/15/63/794641563.db2.gz PHOWWGVJNOWXRF-UTUOFQBUSA-N 1 0 330.410 -1.125 20 0 EAADRO C[C@H](O)CN1C[C@@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@H]2C1 ZINC001277963692 794641199 /nfs/dbraw/zinc/64/11/99/794641199.db2.gz QLUJFALAJMBRBN-SRVKXCTJSA-N 1 0 330.410 -1.125 20 0 EAADRO C[C@H](O)CN1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cn(C)cn1 ZINC001277963693 794640743 /nfs/dbraw/zinc/64/07/43/794640743.db2.gz QLUJFALAJMBRBN-TUAOUCFPSA-N 1 0 330.410 -1.125 20 0 EAADRO C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cn(C)cn1 ZINC001277963694 794641485 /nfs/dbraw/zinc/64/14/85/794641485.db2.gz QLUJFALAJMBRBN-UTUOFQBUSA-N 1 0 330.410 -1.125 20 0 EAADRO C[C@@H](O)CN1C[C@@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@H]2C1 ZINC001277963695 794640761 /nfs/dbraw/zinc/64/07/61/794640761.db2.gz QLUJFALAJMBRBN-WOPDTQHZSA-N 1 0 330.410 -1.125 20 0 EAADRO C[C@H](O)CN1CCN(S(=O)(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277963917 794640618 /nfs/dbraw/zinc/64/06/18/794640618.db2.gz YWLVKDDURCEOQN-GXTWGEPZSA-N 1 0 348.469 -1.170 20 0 EAADRO C[C@H](O)CN1CCN(S(=O)(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277963918 794640892 /nfs/dbraw/zinc/64/08/92/794640892.db2.gz YWLVKDDURCEOQN-JSGCOSHPSA-N 1 0 348.469 -1.170 20 0 EAADRO C[C@@H](O)CN1CCN(S(=O)(=O)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277963919 794640972 /nfs/dbraw/zinc/64/09/72/794640972.db2.gz YWLVKDDURCEOQN-OCCSQVGLSA-N 1 0 348.469 -1.170 20 0 EAADRO C[C@@H](O)CN1CCN(S(=O)(=O)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277963920 794640639 /nfs/dbraw/zinc/64/06/39/794640639.db2.gz YWLVKDDURCEOQN-TZMCWYRMSA-N 1 0 348.469 -1.170 20 0 EAADRO CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)C(N)=O ZINC001277968199 794642460 /nfs/dbraw/zinc/64/24/60/794642460.db2.gz CVBNAJKYVUXLHN-GHMZBOCLSA-N 1 0 339.396 -1.373 20 0 EAADRO CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)C(N)=O ZINC001277968200 794642179 /nfs/dbraw/zinc/64/21/79/794642179.db2.gz CVBNAJKYVUXLHN-MNOVXSKESA-N 1 0 339.396 -1.373 20 0 EAADRO CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)C(N)=O ZINC001277968201 794642538 /nfs/dbraw/zinc/64/25/38/794642538.db2.gz CVBNAJKYVUXLHN-QWRGUYRKSA-N 1 0 339.396 -1.373 20 0 EAADRO CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)C(N)=O ZINC001277968202 794642551 /nfs/dbraw/zinc/64/25/51/794642551.db2.gz CVBNAJKYVUXLHN-WDEREUQCSA-N 1 0 339.396 -1.373 20 0 EAADRO C[C@H](CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]CC(=O)N(C)C ZINC001277968585 794642593 /nfs/dbraw/zinc/64/25/93/794642593.db2.gz IZXRSDBCKXOEJI-LLVKDONJSA-N 1 0 339.396 -1.549 20 0 EAADRO C[C@@H](CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]CC(=O)N(C)C ZINC001277968586 794642234 /nfs/dbraw/zinc/64/22/34/794642234.db2.gz IZXRSDBCKXOEJI-NSHDSACASA-N 1 0 339.396 -1.549 20 0 EAADRO C[C@H](CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@H](C)C(N)=O ZINC001277968621 794642424 /nfs/dbraw/zinc/64/24/24/794642424.db2.gz JROWHWXWOUXRIB-NXEZZACHSA-N 1 0 325.369 -1.763 20 0 EAADRO C[C@@H](CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H](C)C(N)=O ZINC001277968622 794642852 /nfs/dbraw/zinc/64/28/52/794642852.db2.gz JROWHWXWOUXRIB-UWVGGRQHSA-N 1 0 325.369 -1.763 20 0 EAADRO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)C(N)=O ZINC001277968623 794643101 /nfs/dbraw/zinc/64/31/01/794643101.db2.gz JROWHWXWOUXRIB-VHSXEESVSA-N 1 0 325.369 -1.763 20 0 EAADRO C[C@H](CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)[NH2+][C@@H](C)C(N)=O ZINC001277968624 794643014 /nfs/dbraw/zinc/64/30/14/794643014.db2.gz JROWHWXWOUXRIB-ZJUUUORDSA-N 1 0 325.369 -1.763 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[C@@H]1C[NH2+]CCCO ZINC001277973937 794642285 /nfs/dbraw/zinc/64/22/85/794642285.db2.gz QSILONPFVORFAI-NWDGAFQWSA-N 1 0 339.400 -1.859 20 0 EAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[C@H]1C[NH2+]CCCO ZINC001277973945 794642565 /nfs/dbraw/zinc/64/25/65/794642565.db2.gz QSILONPFVORFAI-RYUDHWBXSA-N 1 0 339.400 -1.859 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001277973998 794643110 /nfs/dbraw/zinc/64/31/10/794643110.db2.gz RSVGSTNINUYCQC-LLVKDONJSA-N 1 0 344.441 -1.133 20 0 EAADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001277973999 794642686 /nfs/dbraw/zinc/64/26/86/794642686.db2.gz RSVGSTNINUYCQC-NSHDSACASA-N 1 0 344.441 -1.133 20 0 EAADRO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cccnc3=O)CC[C@@H]2C1 ZINC001277977990 794642339 /nfs/dbraw/zinc/64/23/39/794642339.db2.gz JGPIGGMUQCWVMY-BETUJISGSA-N 1 0 333.392 -1.101 20 0 EAADRO C[C@H](CN(C)C(=O)C(=O)NCC1CC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001277978389 794642865 /nfs/dbraw/zinc/64/28/65/794642865.db2.gz KVPILSGVFVIWLI-LLVKDONJSA-N 1 0 348.469 -1.160 20 0 EAADRO C[C@@H](CN(C)C(=O)C(=O)NCC1CC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001277978390 794642259 /nfs/dbraw/zinc/64/22/59/794642259.db2.gz KVPILSGVFVIWLI-NSHDSACASA-N 1 0 348.469 -1.160 20 0 EAADRO NC(=O)C[NH+]1CCC2(CN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 ZINC001277978960 794642275 /nfs/dbraw/zinc/64/22/75/794642275.db2.gz TVQJLKNCNGAFAU-UHFFFAOYSA-N 1 0 346.391 -1.350 20 0 EAADRO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981232 794644369 /nfs/dbraw/zinc/64/43/69/794644369.db2.gz LUOPNQDBBZLWQS-NXEZZACHSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981234 794643595 /nfs/dbraw/zinc/64/35/95/794643595.db2.gz LUOPNQDBBZLWQS-UWVGGRQHSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981238 794643915 /nfs/dbraw/zinc/64/39/15/794643915.db2.gz LUOPNQDBBZLWQS-VHSXEESVSA-N 1 0 325.369 -1.665 20 0 EAADRO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981248 794643747 /nfs/dbraw/zinc/64/37/47/794643747.db2.gz LUOPNQDBBZLWQS-ZJUUUORDSA-N 1 0 325.369 -1.665 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277981394 794644527 /nfs/dbraw/zinc/64/45/27/794644527.db2.gz NMKIVJQRIZPFIP-MNOVXSKESA-N 1 0 337.380 -1.603 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277981570 794644194 /nfs/dbraw/zinc/64/41/94/794644194.db2.gz NMKIVJQRIZPFIP-QWRGUYRKSA-N 1 0 337.380 -1.603 20 0 EAADRO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981677 794644046 /nfs/dbraw/zinc/64/40/46/794644046.db2.gz OKLQPKDUIZLGHK-GHMZBOCLSA-N 1 0 339.396 -1.275 20 0 EAADRO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981678 794643733 /nfs/dbraw/zinc/64/37/33/794643733.db2.gz OKLQPKDUIZLGHK-MNOVXSKESA-N 1 0 339.396 -1.275 20 0 EAADRO CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981679 794643780 /nfs/dbraw/zinc/64/37/80/794643780.db2.gz OKLQPKDUIZLGHK-QWRGUYRKSA-N 1 0 339.396 -1.275 20 0 EAADRO CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001277981680 794644393 /nfs/dbraw/zinc/64/43/93/794644393.db2.gz OKLQPKDUIZLGHK-WDEREUQCSA-N 1 0 339.396 -1.275 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001277981709 794644114 /nfs/dbraw/zinc/64/41/14/794644114.db2.gz PDPYLZOFOLSSKQ-KBPBESRZSA-N 1 0 340.424 -1.002 20 0 EAADRO CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001277981710 794644521 /nfs/dbraw/zinc/64/45/21/794644521.db2.gz PDPYLZOFOLSSKQ-KGLIPLIRSA-N 1 0 340.424 -1.002 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CC(N)=O)CC3)[C@H]2C1 ZINC001277981779 794644531 /nfs/dbraw/zinc/64/45/31/794644531.db2.gz NKMADCWOLACPSO-RYUDHWBXSA-N 1 0 337.424 -1.928 20 0 EAADRO CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(CC(N)=O)CC3)[C@@H]2C1 ZINC001277981785 794643559 /nfs/dbraw/zinc/64/35/59/794643559.db2.gz NKMADCWOLACPSO-VXGBXAGGSA-N 1 0 337.424 -1.928 20 0 EAADRO NC(=O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001277982063 794643851 /nfs/dbraw/zinc/64/38/51/794643851.db2.gz RSZHBFCCUDRTCZ-CHWSQXEVSA-N 1 0 332.408 -1.093 20 0 EAADRO NC(=O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001277982076 794644462 /nfs/dbraw/zinc/64/44/62/794644462.db2.gz RSZHBFCCUDRTCZ-STQMWFEESA-N 1 0 332.408 -1.093 20 0 EAADRO COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CCN(CC(N)=O)CC3)[C@@H]2C1 ZINC001277982356 794643706 /nfs/dbraw/zinc/64/37/06/794643706.db2.gz WTTYEPHZSPQDGE-CHWSQXEVSA-N 1 0 340.424 -1.395 20 0 EAADRO COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CC(N)=O)CC3)[C@H]2C1 ZINC001277982369 794643799 /nfs/dbraw/zinc/64/37/99/794643799.db2.gz WTTYEPHZSPQDGE-STQMWFEESA-N 1 0 340.424 -1.395 20 0 EAADRO NC(=O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001277982477 794644259 /nfs/dbraw/zinc/64/42/59/794644259.db2.gz XLZXPEXSQQWLCV-KBPBESRZSA-N 1 0 346.435 -1.119 20 0 EAADRO NC(=O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001277982482 794643872 /nfs/dbraw/zinc/64/38/72/794643872.db2.gz XLZXPEXSQQWLCV-ZIAGYGMSSA-N 1 0 346.435 -1.119 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)NCc1cn(C)nn1 ZINC001277987742 794644256 /nfs/dbraw/zinc/64/42/56/794644256.db2.gz KKIPXYSTASSZDL-JTQLQIEISA-N 1 0 337.384 -1.354 20 0 EAADRO C[C@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)NCc1cn(C)nn1 ZINC001277987743 794643474 /nfs/dbraw/zinc/64/34/74/794643474.db2.gz KKIPXYSTASSZDL-SNVBAGLBSA-N 1 0 337.384 -1.354 20 0 EAADRO C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001277989025 794644569 /nfs/dbraw/zinc/64/45/69/794644569.db2.gz VSDNILWWKYFKJC-JTQLQIEISA-N 1 0 337.384 -1.274 20 0 EAADRO C[C@H](CN(C)C(=O)Cc1nnc[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001277989027 794644267 /nfs/dbraw/zinc/64/42/67/794644267.db2.gz VSDNILWWKYFKJC-SNVBAGLBSA-N 1 0 337.384 -1.274 20 0 EAADRO C[C@H](CO)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cccnc1=O ZINC001277994075 794643497 /nfs/dbraw/zinc/64/34/97/794643497.db2.gz IWJJADOSNXTXKP-MELADBBJSA-N 1 0 336.392 -1.217 20 0 EAADRO C[C@H](CO)C[NH+]1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277995106 794644562 /nfs/dbraw/zinc/64/45/62/794644562.db2.gz VKWDJELXGFMEDI-CUEABSMRSA-N 1 0 346.380 -3.441 20 0 EAADRO C[C@H](CO)C[NH+]1CC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001277995107 794644175 /nfs/dbraw/zinc/64/41/75/794644175.db2.gz VKWDJELXGFMEDI-LZWWFPGGSA-N 1 0 346.380 -3.441 20 0 EAADRO C[C@H](CO)C[N@@H+]1C[C@@H]2OCCN(C(=O)Cn3cccnc3=O)[C@H]2C1 ZINC001277995344 794644296 /nfs/dbraw/zinc/64/42/96/794644296.db2.gz WYDLJONIGQYTFK-IHRRRGAJSA-N 1 0 336.392 -1.217 20 0 EAADRO C[C@H](CO)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cccnc1=O ZINC001277995345 794644123 /nfs/dbraw/zinc/64/41/23/794644123.db2.gz WYDLJONIGQYTFK-MJBXVCDLSA-N 1 0 336.392 -1.217 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001277997700 794643997 /nfs/dbraw/zinc/64/39/97/794643997.db2.gz QZWQAIYSOWMIAD-LLVKDONJSA-N 1 0 330.414 -1.592 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001277997701 794644582 /nfs/dbraw/zinc/64/45/82/794644582.db2.gz QZWQAIYSOWMIAD-NSHDSACASA-N 1 0 330.414 -1.592 20 0 EAADRO COC(=O)CS(=O)(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001278005667 794644337 /nfs/dbraw/zinc/64/43/37/794644337.db2.gz DRROMMODPFKVAR-GHMZBOCLSA-N 1 0 345.421 -1.369 20 0 EAADRO COC(=O)CS(=O)(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001278005668 794644004 /nfs/dbraw/zinc/64/40/04/794644004.db2.gz DRROMMODPFKVAR-QWRGUYRKSA-N 1 0 345.421 -1.369 20 0 EAADRO COC(=O)CS(=O)(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001278006731 794645247 /nfs/dbraw/zinc/64/52/47/794645247.db2.gz JASPGUIRYVTKKO-TXEJJXNPSA-N 1 0 335.426 -1.564 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CN(C(=O)Cn3cccnc3=O)C2)CC1 ZINC001278007427 794645471 /nfs/dbraw/zinc/64/54/71/794645471.db2.gz QDKDDRFQWDVACP-UHFFFAOYSA-N 1 0 333.392 -1.086 20 0 EAADRO COC(=O)CS(=O)(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278007470 794645065 /nfs/dbraw/zinc/64/50/65/794645065.db2.gz RGMGKLFZYVMEOZ-NEPJUHHUSA-N 1 0 335.426 -1.564 20 0 EAADRO COC(=O)CS(=O)(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278007472 794645002 /nfs/dbraw/zinc/64/50/02/794645002.db2.gz RGMGKLFZYVMEOZ-RYUDHWBXSA-N 1 0 335.426 -1.564 20 0 EAADRO COC(=O)CS(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278007844 794645159 /nfs/dbraw/zinc/64/51/59/794645159.db2.gz WDHAGJNQIQIUIP-TXEJJXNPSA-N 1 0 335.426 -1.564 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]CCS(C)(=O)=O ZINC001278009842 794645677 /nfs/dbraw/zinc/64/56/77/794645677.db2.gz DZJFFXYWZKKJLZ-JTQLQIEISA-N 1 0 333.410 -1.384 20 0 EAADRO C[C@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]CCS(C)(=O)=O ZINC001278009847 794645400 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794645330 /nfs/dbraw/zinc/64/53/30/794645330.db2.gz ZRQJVNSIQZQNPI-SECBINFHSA-N 1 0 325.369 -1.747 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NC1CC1 ZINC001278010837 794645454 /nfs/dbraw/zinc/64/54/54/794645454.db2.gz ZRQJVNSIQZQNPI-VIFPVBQESA-N 1 0 325.369 -1.747 20 0 EAADRO CNC(=O)CN1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278014293 794646946 /nfs/dbraw/zinc/64/69/46/794646946.db2.gz YBXNMPPRWCGMNX-INIZCTEOSA-N 1 0 325.457 -1.050 20 0 EAADRO CNC(=O)CN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278014297 794646747 /nfs/dbraw/zinc/64/67/47/794646747.db2.gz YBXNMPPRWCGMNX-MRXNPFEDSA-N 1 0 325.457 -1.050 20 0 EAADRO CNC(=O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001278014329 794646718 /nfs/dbraw/zinc/64/67/18/794646718.db2.gz YKFMUTMBFGVBBL-KBPBESRZSA-N 1 0 337.468 -1.194 20 0 EAADRO CNC(=O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001278014332 794646631 /nfs/dbraw/zinc/64/66/31/794646631.db2.gz YKFMUTMBFGVBBL-ZIAGYGMSSA-N 1 0 337.468 -1.194 20 0 EAADRO O=C(C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC(=O)NC1=O)NC1CC1 ZINC001278015378 794646791 /nfs/dbraw/zinc/64/67/91/794646791.db2.gz DMCRXZCOWINNPP-CMPLNLGQSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC(=O)NC1=O)NC1CC1 ZINC001278015379 794646211 /nfs/dbraw/zinc/64/62/11/794646211.db2.gz DMCRXZCOWINNPP-JQWIXIFHSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC(=O)NC1=O)NC1CC1 ZINC001278015380 794646137 /nfs/dbraw/zinc/64/61/37/794646137.db2.gz DMCRXZCOWINNPP-PWSUYJOCSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC(=O)NC1=O)NC1CC1 ZINC001278015381 794646172 /nfs/dbraw/zinc/64/61/72/794646172.db2.gz DMCRXZCOWINNPP-ZYHUDNBSSA-N 1 0 336.392 -1.102 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@H]1C[NH2+]CCOCCO ZINC001278016395 794646811 /nfs/dbraw/zinc/64/68/11/794646811.db2.gz UTGRQYLPWCICMD-NEPJUHHUSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@H]1C[NH2+]CCOCCO ZINC001278016396 794646344 /nfs/dbraw/zinc/64/63/44/794646344.db2.gz UTGRQYLPWCICMD-RYUDHWBXSA-N 1 0 327.381 -1.371 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001278018065 794646266 /nfs/dbraw/zinc/64/62/66/794646266.db2.gz VDGFMKPJUAAFLC-SECBINFHSA-N 1 0 349.413 -2.476 20 0 EAADRO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001278018066 794646234 /nfs/dbraw/zinc/64/62/34/794646234.db2.gz VDGFMKPJUAAFLC-VIFPVBQESA-N 1 0 349.413 -2.476 20 0 EAADRO C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278025345 794646462 /nfs/dbraw/zinc/64/64/62/794646462.db2.gz MAWXWXHPKWWKJA-NXEZZACHSA-N 1 0 337.380 -1.421 20 0 EAADRO C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278025346 794646512 /nfs/dbraw/zinc/64/65/12/794646512.db2.gz MAWXWXHPKWWKJA-UWVGGRQHSA-N 1 0 337.380 -1.421 20 0 EAADRO C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278025347 794646115 /nfs/dbraw/zinc/64/61/15/794646115.db2.gz MAWXWXHPKWWKJA-VHSXEESVSA-N 1 0 337.380 -1.421 20 0 EAADRO C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278025348 794646289 /nfs/dbraw/zinc/64/62/89/794646289.db2.gz MAWXWXHPKWWKJA-ZJUUUORDSA-N 1 0 337.380 -1.421 20 0 EAADRO C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]CCNS(C)(=O)=O ZINC001278025960 794646366 /nfs/dbraw/zinc/64/63/66/794646366.db2.gz UQZRRZARQBNRTD-JTQLQIEISA-N 1 0 347.441 -1.677 20 0 EAADRO C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]CCNS(C)(=O)=O ZINC001278025961 794646802 /nfs/dbraw/zinc/64/68/02/794646802.db2.gz UQZRRZARQBNRTD-SNVBAGLBSA-N 1 0 347.441 -1.677 20 0 EAADRO CC(=O)NC[C@H](CO)[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC001278036116 794646325 /nfs/dbraw/zinc/64/63/25/794646325.db2.gz XUTBABWTPZDKAM-LLVKDONJSA-N 1 0 331.394 -1.201 20 0 EAADRO CC(=O)NC[C@@H](CO)[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC001278036120 794646937 /nfs/dbraw/zinc/64/69/37/794646937.db2.gz XUTBABWTPZDKAM-NSHDSACASA-N 1 0 331.394 -1.201 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(C)(NC(=O)CC(N)=O)CC1 ZINC001278039208 794646058 /nfs/dbraw/zinc/64/60/58/794646058.db2.gz HGJKBDPOBPHWSL-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO CN(C)C(=O)CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]2O)N1CC[NH+](C)C ZINC001278040265 794646818 /nfs/dbraw/zinc/64/68/18/794646818.db2.gz RVPYHWJWZBZQOA-JLNYLFASSA-N 1 0 326.441 -1.034 20 0 EAADRO C[NH+](C)CCN1CCn2c(nnc2C(=O)NCCn2ccnn2)C1 ZINC001278040433 794646589 /nfs/dbraw/zinc/64/65/89/794646589.db2.gz WWJDNVMGVMYSRD-UHFFFAOYSA-N 1 0 333.400 -1.323 20 0 EAADRO O=C(Cc1ccsc1)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278040752 794646413 /nfs/dbraw/zinc/64/64/13/794646413.db2.gz CWVNKPORBXLMPR-LLVKDONJSA-N 1 0 340.405 -1.091 20 0 EAADRO O=C(Cc1ccsc1)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278040753 794646876 /nfs/dbraw/zinc/64/68/76/794646876.db2.gz CWVNKPORBXLMPR-NSHDSACASA-N 1 0 340.405 -1.091 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccsc1 ZINC001278041124 794647221 /nfs/dbraw/zinc/64/72/21/794647221.db2.gz INURFPGDYVMVES-JTQLQIEISA-N 1 0 326.378 -1.020 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccsc1 ZINC001278041125 794647381 /nfs/dbraw/zinc/64/73/81/794647381.db2.gz INURFPGDYVMVES-SNVBAGLBSA-N 1 0 326.378 -1.020 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccccc1 ZINC001278041198 794648124 /nfs/dbraw/zinc/64/81/24/794648124.db2.gz JZFHEHXHPJPTOX-KBPBESRZSA-N 1 0 349.387 -1.123 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccccc1 ZINC001278041199 794648296 /nfs/dbraw/zinc/64/82/96/794648296.db2.gz JZFHEHXHPJPTOX-KGLIPLIRSA-N 1 0 349.387 -1.123 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccccc1 ZINC001278041200 794648283 /nfs/dbraw/zinc/64/82/83/794648283.db2.gz JZFHEHXHPJPTOX-UONOGXRCSA-N 1 0 349.387 -1.123 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccccc1 ZINC001278041201 794647886 /nfs/dbraw/zinc/64/78/86/794647886.db2.gz JZFHEHXHPJPTOX-ZIAGYGMSSA-N 1 0 349.387 -1.123 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001278042044 794647734 /nfs/dbraw/zinc/64/77/34/794647734.db2.gz WPQVRDFXKHYHFY-LLVKDONJSA-N 1 0 332.382 -2.451 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001278042045 794648240 /nfs/dbraw/zinc/64/82/40/794648240.db2.gz WPQVRDFXKHYHFY-NSHDSACASA-N 1 0 332.382 -2.451 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCO1 ZINC001278042062 794647252 /nfs/dbraw/zinc/64/72/52/794647252.db2.gz WZJUTGIUGFQNMX-GHMZBOCLSA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCO1 ZINC001278042063 794647506 /nfs/dbraw/zinc/64/75/06/794647506.db2.gz WZJUTGIUGFQNMX-MNOVXSKESA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCO1 ZINC001278042064 794647747 /nfs/dbraw/zinc/64/77/47/794647747.db2.gz WZJUTGIUGFQNMX-QWRGUYRKSA-N 1 0 328.369 -1.826 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCO1 ZINC001278042065 794647586 /nfs/dbraw/zinc/64/75/86/794647586.db2.gz WZJUTGIUGFQNMX-WDEREUQCSA-N 1 0 328.369 -1.826 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2C(C(=O)NCCS(C)(=O)=O)=NO[C@@H]2C1 ZINC001278045736 794647451 /nfs/dbraw/zinc/64/74/51/794647451.db2.gz GTTAYJMWISGGPZ-WDEREUQCSA-N 1 0 332.426 -1.605 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CC[C@H](C(=O)NCCS(C)(=O)=O)O2 ZINC001278045738 794647992 /nfs/dbraw/zinc/64/79/92/794647992.db2.gz GUGAGJZRWZXYAC-GFCCVEGCSA-N 1 0 333.454 -1.058 20 0 EAADRO C[NH+](C)CCN1CC2(C1)CC[C@@H](C(=O)NCCS(C)(=O)=O)O2 ZINC001278045740 794648291 /nfs/dbraw/zinc/64/82/91/794648291.db2.gz GUGAGJZRWZXYAC-LBPRGKRZSA-N 1 0 333.454 -1.058 20 0 EAADRO C[NH+](C)CCN1CCn2c(nnc2C(=O)N2CCn3cnnc3C2)C1 ZINC001278046533 794647362 /nfs/dbraw/zinc/64/73/62/794647362.db2.gz PZYPIJYJGAESRQ-UHFFFAOYSA-N 1 0 345.411 -1.097 20 0 EAADRO C[NH+](C)CCN1CCn2c(nnc2C(=O)NCCS(C)(=O)=O)C1 ZINC001278046555 794648036 /nfs/dbraw/zinc/64/80/36/794648036.db2.gz QOASUPKMRMZVER-UHFFFAOYSA-N 1 0 344.441 -1.570 20 0 EAADRO C[NH+](C)CCN1C[C@@H]2C(C(=O)N3CCn4cnnc4C3)=NO[C@@H]2C1 ZINC001278046778 794647724 /nfs/dbraw/zinc/64/77/24/794647724.db2.gz RBRDBSLRKRPOPB-NWDGAFQWSA-N 1 0 333.396 -1.132 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O)c1cnns1 ZINC001278047510 794648015 /nfs/dbraw/zinc/64/80/15/794648015.db2.gz DUGXFSYPGXCQCI-MRVPVSSYSA-N 1 0 342.381 -1.840 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O)c1cnns1 ZINC001278047511 794647458 /nfs/dbraw/zinc/64/74/58/794647458.db2.gz DUGXFSYPGXCQCI-QMMMGPOBSA-N 1 0 342.381 -1.840 20 0 EAADRO Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)cn1 ZINC001278047830 794647435 /nfs/dbraw/zinc/64/74/35/794647435.db2.gz INVSNWBRBPHKRP-GFCCVEGCSA-N 1 0 330.410 -1.380 20 0 EAADRO Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)cn1 ZINC001278047831 794648085 /nfs/dbraw/zinc/64/80/85/794648085.db2.gz INVSNWBRBPHKRP-LBPRGKRZSA-N 1 0 330.410 -1.380 20 0 EAADRO Cc1ncsc1C(=O)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278048194 794648225 /nfs/dbraw/zinc/64/82/25/794648225.db2.gz MOKZEPNTZGANPI-BDAKNGLRSA-N 1 0 326.378 -1.063 20 0 EAADRO Cc1ncsc1C(=O)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278048195 794647755 /nfs/dbraw/zinc/64/77/55/794647755.db2.gz MOKZEPNTZGANPI-DTWKUNHWSA-N 1 0 326.378 -1.063 20 0 EAADRO Cc1ncsc1C(=O)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278048196 794648167 /nfs/dbraw/zinc/64/81/67/794648167.db2.gz MOKZEPNTZGANPI-IUCAKERBSA-N 1 0 326.378 -1.063 20 0 EAADRO Cc1ncsc1C(=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278048197 794648308 /nfs/dbraw/zinc/64/83/08/794648308.db2.gz MOKZEPNTZGANPI-RKDXNWHRSA-N 1 0 326.378 -1.063 20 0 EAADRO Cc1cccc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)n1 ZINC001278048928 794647575 /nfs/dbraw/zinc/64/75/75/794647575.db2.gz ULTZEVHCDKWIGK-LLVKDONJSA-N 1 0 330.410 -1.380 20 0 EAADRO Cc1cccc(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)n1 ZINC001278048929 794648247 /nfs/dbraw/zinc/64/82/47/794648247.db2.gz ULTZEVHCDKWIGK-NSHDSACASA-N 1 0 330.410 -1.380 20 0 EAADRO Cc1nnsc1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278049332 794647712 /nfs/dbraw/zinc/64/77/12/794647712.db2.gz XSVFFVJPVUYOAD-MRVPVSSYSA-N 1 0 342.381 -1.921 20 0 EAADRO Cc1nnsc1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278049333 794647209 /nfs/dbraw/zinc/64/72/09/794647209.db2.gz XSVFFVJPVUYOAD-QMMMGPOBSA-N 1 0 342.381 -1.921 20 0 EAADRO Cc1nn(C)cc1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278053189 794647329 /nfs/dbraw/zinc/64/73/29/794647329.db2.gz CRPMVIKSBPVVAM-JTQLQIEISA-N 1 0 338.368 -2.039 20 0 EAADRO Cc1nn(C)cc1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278053190 794648065 /nfs/dbraw/zinc/64/80/65/794648065.db2.gz CRPMVIKSBPVVAM-SNVBAGLBSA-N 1 0 338.368 -2.039 20 0 EAADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)cc1 ZINC001278053441 794648233 /nfs/dbraw/zinc/64/82/33/794648233.db2.gz GBUUBXIUEUQSOY-LLVKDONJSA-N 1 0 343.405 -1.468 20 0 EAADRO CS(=O)(=O)c1ccc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)cc1 ZINC001278053442 794648197 /nfs/dbraw/zinc/64/81/97/794648197.db2.gz GBUUBXIUEUQSOY-NSHDSACASA-N 1 0 343.405 -1.468 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001278053567 794647688 /nfs/dbraw/zinc/64/76/88/794647688.db2.gz IAZVJCYGWCUVHJ-JTQLQIEISA-N 1 0 342.396 -1.344 20 0 EAADRO CC(C)(C)C(=O)C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001278053568 794647848 /nfs/dbraw/zinc/64/78/48/794647848.db2.gz IAZVJCYGWCUVHJ-SNVBAGLBSA-N 1 0 342.396 -1.344 20 0 EAADRO Cn1cc(CC(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001278053603 794647642 /nfs/dbraw/zinc/64/76/42/794647642.db2.gz IROYCLCNGZDYQB-LLVKDONJSA-N 1 0 338.368 -2.419 20 0 EAADRO Cn1cc(CC(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001278053604 794648185 /nfs/dbraw/zinc/64/81/85/794648185.db2.gz IROYCLCNGZDYQB-NSHDSACASA-N 1 0 338.368 -2.419 20 0 EAADRO Nc1nccnc1C(=O)NC[C@H](CO)[NH2+]CCCN1CCCC1=O ZINC001278053843 794647667 /nfs/dbraw/zinc/64/76/67/794647667.db2.gz KYKLVSVJQWEMHG-LLVKDONJSA-N 1 0 336.396 -1.248 20 0 EAADRO Nc1nccnc1C(=O)NC[C@@H](CO)[NH2+]CCCN1CCCC1=O ZINC001278053844 794647230 /nfs/dbraw/zinc/64/72/30/794647230.db2.gz KYKLVSVJQWEMHG-NSHDSACASA-N 1 0 336.396 -1.248 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccnc(F)c1 ZINC001278053879 794647594 /nfs/dbraw/zinc/64/75/94/794647594.db2.gz LNZXTQJPMUQWMP-JTQLQIEISA-N 1 0 339.327 -1.547 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccnc(F)c1 ZINC001278053880 794647673 /nfs/dbraw/zinc/64/76/73/794647673.db2.gz LNZXTQJPMUQWMP-SNVBAGLBSA-N 1 0 339.327 -1.547 20 0 EAADRO CC1CCC(N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CC(N)=O)CC1 ZINC001278053957 794648303 /nfs/dbraw/zinc/64/83/03/794648303.db2.gz MLPZDAYUBQONSM-CPCZMJQVSA-N 1 0 342.440 -1.034 20 0 EAADRO CC1CCC(N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)CC1 ZINC001278053959 794647793 /nfs/dbraw/zinc/64/77/93/794647793.db2.gz MLPZDAYUBQONSM-OTTFEQOBSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)C(C)(C)C)CCO1 ZINC001278055049 794647957 /nfs/dbraw/zinc/64/79/57/794647957.db2.gz YUPBHACWGDTZID-NEPJUHHUSA-N 1 0 343.424 -1.084 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)C(C)(C)C)CCO1 ZINC001278055050 794648144 /nfs/dbraw/zinc/64/81/44/794648144.db2.gz YUPBHACWGDTZID-NWDGAFQWSA-N 1 0 343.424 -1.084 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)C(C)(C)C)CCO1 ZINC001278055051 794648190 /nfs/dbraw/zinc/64/81/90/794648190.db2.gz YUPBHACWGDTZID-RYUDHWBXSA-N 1 0 343.424 -1.084 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)C(C)(C)C)CCO1 ZINC001278055052 794647559 /nfs/dbraw/zinc/64/75/59/794647559.db2.gz YUPBHACWGDTZID-VXGBXAGGSA-N 1 0 343.424 -1.084 20 0 EAADRO Cc1nn(C)cc1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278055095 794647316 /nfs/dbraw/zinc/64/73/16/794647316.db2.gz ZPQQYHZPQLMBJH-LLVKDONJSA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1nn(C)cc1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278055096 794648071 /nfs/dbraw/zinc/64/80/71/794648071.db2.gz ZPQQYHZPQLMBJH-NSHDSACASA-N 1 0 337.380 -1.442 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)C1=COCCC1 ZINC001278055107 794648079 /nfs/dbraw/zinc/64/80/79/794648079.db2.gz ZVFOONISLMRYFR-GFCCVEGCSA-N 1 0 325.365 -1.104 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)C1=COCCC1 ZINC001278055108 794647968 /nfs/dbraw/zinc/64/79/68/794647968.db2.gz ZVFOONISLMRYFR-LBPRGKRZSA-N 1 0 325.365 -1.104 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccncc1F ZINC001278059630 794647285 /nfs/dbraw/zinc/64/72/85/794647285.db2.gz AAPDQBYYXASCTR-SECBINFHSA-N 1 0 339.327 -1.547 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccncc1F ZINC001278059631 794648133 /nfs/dbraw/zinc/64/81/33/794648133.db2.gz AAPDQBYYXASCTR-VIFPVBQESA-N 1 0 339.327 -1.547 20 0 EAADRO CN1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059632 794647809 /nfs/dbraw/zinc/64/78/09/794647809.db2.gz ABISZYIPBBSQMS-CHWSQXEVSA-N 1 0 328.413 -2.090 20 0 EAADRO CN1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059633 794648208 /nfs/dbraw/zinc/64/82/08/794648208.db2.gz ABISZYIPBBSQMS-OLZOCXBDSA-N 1 0 328.413 -2.090 20 0 EAADRO CN1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059634 794647516 /nfs/dbraw/zinc/64/75/16/794647516.db2.gz ABISZYIPBBSQMS-QWHCGFSZSA-N 1 0 328.413 -2.090 20 0 EAADRO CN1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059635 794647910 /nfs/dbraw/zinc/64/79/10/794647910.db2.gz ABISZYIPBBSQMS-STQMWFEESA-N 1 0 328.413 -2.090 20 0 EAADRO CN1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)C1 ZINC001278062206 794648265 /nfs/dbraw/zinc/64/82/65/794648265.db2.gz REDUMNICLGYOTP-GHMZBOCLSA-N 1 0 338.430 -3.067 20 0 EAADRO CN1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)C1 ZINC001278062207 794647998 /nfs/dbraw/zinc/64/79/98/794647998.db2.gz REDUMNICLGYOTP-MNOVXSKESA-N 1 0 338.430 -3.067 20 0 EAADRO CN1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)C1 ZINC001278062208 794647771 /nfs/dbraw/zinc/64/77/71/794647771.db2.gz REDUMNICLGYOTP-QWRGUYRKSA-N 1 0 338.430 -3.067 20 0 EAADRO CN1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)C1 ZINC001278062209 794647621 /nfs/dbraw/zinc/64/76/21/794647621.db2.gz REDUMNICLGYOTP-WDEREUQCSA-N 1 0 338.430 -3.067 20 0 EAADRO Cc1cccnc1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278062640 794648030 /nfs/dbraw/zinc/64/80/30/794648030.db2.gz UUVLIGKZKQLWGZ-LLVKDONJSA-N 1 0 330.410 -1.380 20 0 EAADRO Cc1cccnc1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278062643 794647546 /nfs/dbraw/zinc/64/75/46/794647546.db2.gz UUVLIGKZKQLWGZ-NSHDSACASA-N 1 0 330.410 -1.380 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCOCC1 ZINC001278069477 794648254 /nfs/dbraw/zinc/64/82/54/794648254.db2.gz ANSOATJJXHLYKR-NEPJUHHUSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCOCC1 ZINC001278069479 794647468 /nfs/dbraw/zinc/64/74/68/794647468.db2.gz ANSOATJJXHLYKR-NWDGAFQWSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCOCC1 ZINC001278069486 794647392 /nfs/dbraw/zinc/64/73/92/794647392.db2.gz ANSOATJJXHLYKR-RYUDHWBXSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCOCC1 ZINC001278069489 794647700 /nfs/dbraw/zinc/64/77/00/794647700.db2.gz ANSOATJJXHLYKR-VXGBXAGGSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1=CCCC1 ZINC001278069633 794649311 /nfs/dbraw/zinc/64/93/11/794649311.db2.gz BTKDDBYNUMDSIF-CHWSQXEVSA-N 1 0 339.392 -1.327 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1=CCCC1 ZINC001278069634 794649349 /nfs/dbraw/zinc/64/93/49/794649349.db2.gz BTKDDBYNUMDSIF-OLZOCXBDSA-N 1 0 339.392 -1.327 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1=CCCC1 ZINC001278069635 794649158 /nfs/dbraw/zinc/64/91/58/794649158.db2.gz BTKDDBYNUMDSIF-QWHCGFSZSA-N 1 0 339.392 -1.327 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1=CCCC1 ZINC001278069636 794649150 /nfs/dbraw/zinc/64/91/50/794649150.db2.gz BTKDDBYNUMDSIF-STQMWFEESA-N 1 0 339.392 -1.327 20 0 EAADRO O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001278070451 794649208 /nfs/dbraw/zinc/64/92/08/794649208.db2.gz IOAMBWWYHJBAPQ-NEPJUHHUSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001278070456 794649045 /nfs/dbraw/zinc/64/90/45/794649045.db2.gz IOAMBWWYHJBAPQ-NWDGAFQWSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001278070457 794648614 /nfs/dbraw/zinc/64/86/14/794648614.db2.gz IOAMBWWYHJBAPQ-RYUDHWBXSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001278070459 794649433 /nfs/dbraw/zinc/64/94/33/794649433.db2.gz IOAMBWWYHJBAPQ-VXGBXAGGSA-N 1 0 326.397 -1.895 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001278070911 794649335 /nfs/dbraw/zinc/64/93/35/794649335.db2.gz LGVPHMQGTAHSDG-NEPJUHHUSA-N 1 0 342.440 -1.021 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001278070914 794648816 /nfs/dbraw/zinc/64/88/16/794648816.db2.gz LGVPHMQGTAHSDG-NWDGAFQWSA-N 1 0 342.440 -1.021 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001278070917 794648910 /nfs/dbraw/zinc/64/89/10/794648910.db2.gz LGVPHMQGTAHSDG-RYUDHWBXSA-N 1 0 342.440 -1.021 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001278070920 794648828 /nfs/dbraw/zinc/64/88/28/794648828.db2.gz LGVPHMQGTAHSDG-VXGBXAGGSA-N 1 0 342.440 -1.021 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCCCC1 ZINC001278071025 794649268 /nfs/dbraw/zinc/64/92/68/794649268.db2.gz LXFWUOOKHXSVGQ-CYBMUJFWSA-N 1 0 342.440 -1.018 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCCC1 ZINC001278071028 794648947 /nfs/dbraw/zinc/64/89/47/794648947.db2.gz LXFWUOOKHXSVGQ-ZDUSSCGKSA-N 1 0 342.440 -1.018 20 0 EAADRO Cc1cc(C(=O)NC[C@H](CO)[NH2+]CCCS(C)(=O)=O)cnn1 ZINC001278071593 794649369 /nfs/dbraw/zinc/64/93/69/794649369.db2.gz PLGHOPKMGANFFV-GFCCVEGCSA-N 1 0 330.410 -1.100 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CCCS(C)(=O)=O)cnn1 ZINC001278071594 794648653 /nfs/dbraw/zinc/64/86/53/794648653.db2.gz PLGHOPKMGANFFV-LBPRGKRZSA-N 1 0 330.410 -1.100 20 0 EAADRO Cc1ccnc(C(=O)NC[C@H](CO)[NH2+]CCCS(C)(=O)=O)n1 ZINC001278071769 794649200 /nfs/dbraw/zinc/64/92/00/794649200.db2.gz PSDWVTJMTMQAMG-LLVKDONJSA-N 1 0 330.410 -1.100 20 0 EAADRO Cc1ccnc(C(=O)NC[C@@H](CO)[NH2+]CCCS(C)(=O)=O)n1 ZINC001278071770 794649385 /nfs/dbraw/zinc/64/93/85/794649385.db2.gz PSDWVTJMTMQAMG-NSHDSACASA-N 1 0 330.410 -1.100 20 0 EAADRO CCc1[nH]ccc1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278072201 794648853 /nfs/dbraw/zinc/64/88/53/794648853.db2.gz RUJAYCDAVQQGJB-JTQLQIEISA-N 1 0 337.380 -1.191 20 0 EAADRO CCc1[nH]ccc1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278072209 794649117 /nfs/dbraw/zinc/64/91/17/794649117.db2.gz RUJAYCDAVQQGJB-SNVBAGLBSA-N 1 0 337.380 -1.191 20 0 EAADRO Cc1nnc(CC(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)o1 ZINC001278072311 794649024 /nfs/dbraw/zinc/64/90/24/794649024.db2.gz SHSZQXWPAYHSIP-JTQLQIEISA-N 1 0 339.352 -1.864 20 0 EAADRO Cc1nnc(CC(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)o1 ZINC001278072316 794649215 /nfs/dbraw/zinc/64/92/15/794649215.db2.gz SHSZQXWPAYHSIP-SNVBAGLBSA-N 1 0 339.352 -1.864 20 0 EAADRO COC1(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001278073118 794648769 /nfs/dbraw/zinc/64/87/69/794648769.db2.gz YPIYGKQEIRYTEK-GHMZBOCLSA-N 1 0 327.381 -1.183 20 0 EAADRO COC1(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001278073119 794648993 /nfs/dbraw/zinc/64/89/93/794648993.db2.gz YPIYGKQEIRYTEK-MNOVXSKESA-N 1 0 327.381 -1.183 20 0 EAADRO COC1(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001278073121 794649381 /nfs/dbraw/zinc/64/93/81/794649381.db2.gz YPIYGKQEIRYTEK-QWRGUYRKSA-N 1 0 327.381 -1.183 20 0 EAADRO COC1(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001278073122 794649304 /nfs/dbraw/zinc/64/93/04/794649304.db2.gz YPIYGKQEIRYTEK-WDEREUQCSA-N 1 0 327.381 -1.183 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001278073123 794649298 /nfs/dbraw/zinc/64/92/98/794649298.db2.gz YQIPXEDMLNQDPE-NXEZZACHSA-N 1 0 336.414 -2.872 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001278073124 794648935 /nfs/dbraw/zinc/64/89/35/794648935.db2.gz YQIPXEDMLNQDPE-UWVGGRQHSA-N 1 0 336.414 -2.872 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001278073125 794649176 /nfs/dbraw/zinc/64/91/76/794649176.db2.gz YQIPXEDMLNQDPE-VHSXEESVSA-N 1 0 336.414 -2.872 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001278073127 794649315 /nfs/dbraw/zinc/64/93/15/794649315.db2.gz YQIPXEDMLNQDPE-ZJUUUORDSA-N 1 0 336.414 -2.872 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1CCCC1=O)[C@@H]1CCNC(=O)C1 ZINC001278073134 794649124 /nfs/dbraw/zinc/64/91/24/794649124.db2.gz YSYGDHRYRHCZME-CHWSQXEVSA-N 1 0 340.424 -1.408 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1CCCC1=O)[C@@H]1CCNC(=O)C1 ZINC001278073135 794648714 /nfs/dbraw/zinc/64/87/14/794648714.db2.gz YSYGDHRYRHCZME-OLZOCXBDSA-N 1 0 340.424 -1.408 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1CCCC1=O)[C@H]1CCNC(=O)C1 ZINC001278073136 794649339 /nfs/dbraw/zinc/64/93/39/794649339.db2.gz YSYGDHRYRHCZME-QWHCGFSZSA-N 1 0 340.424 -1.408 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1CCCC1=O)[C@H]1CCNC(=O)C1 ZINC001278073137 794649338 /nfs/dbraw/zinc/64/93/38/794649338.db2.gz YSYGDHRYRHCZME-STQMWFEESA-N 1 0 340.424 -1.408 20 0 EAADRO Cc1cn(C)nc1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278077052 794649138 /nfs/dbraw/zinc/64/91/38/794649138.db2.gz FFBVLBRVJUJZLR-JTQLQIEISA-N 1 0 333.414 -2.042 20 0 EAADRO Cc1cn(C)nc1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278077053 794648756 /nfs/dbraw/zinc/64/87/56/794648756.db2.gz FFBVLBRVJUJZLR-SNVBAGLBSA-N 1 0 333.414 -2.042 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cc[nH]c1 ZINC001278084457 794649002 /nfs/dbraw/zinc/64/90/02/794649002.db2.gz AAAJKPHCXUXSID-NEPJUHHUSA-N 1 0 338.364 -1.795 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cc[nH]c1 ZINC001278084458 794648794 /nfs/dbraw/zinc/64/87/94/794648794.db2.gz AAAJKPHCXUXSID-NWDGAFQWSA-N 1 0 338.364 -1.795 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cc[nH]c1 ZINC001278084459 794649256 /nfs/dbraw/zinc/64/92/56/794649256.db2.gz AAAJKPHCXUXSID-RYUDHWBXSA-N 1 0 338.364 -1.795 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cc[nH]c1 ZINC001278084460 794649277 /nfs/dbraw/zinc/64/92/77/794649277.db2.gz AAAJKPHCXUXSID-VXGBXAGGSA-N 1 0 338.364 -1.795 20 0 EAADRO Cc1cc(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)c(C)nn1 ZINC001278084491 794648921 /nfs/dbraw/zinc/64/89/21/794648921.db2.gz AOWFFJKTMSCAJG-GFCCVEGCSA-N 1 0 349.391 -1.077 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)c(C)nn1 ZINC001278084492 794648968 /nfs/dbraw/zinc/64/89/68/794648968.db2.gz AOWFFJKTMSCAJG-LBPRGKRZSA-N 1 0 349.391 -1.077 20 0 EAADRO COc1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)sn1 ZINC001278084699 794649301 /nfs/dbraw/zinc/64/93/01/794649301.db2.gz GDNHMTFDBUUXSX-HTQZYQBOSA-N 1 0 342.377 -1.363 20 0 EAADRO COc1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)sn1 ZINC001278084700 794649170 /nfs/dbraw/zinc/64/91/70/794649170.db2.gz GDNHMTFDBUUXSX-JGVFFNPUSA-N 1 0 342.377 -1.363 20 0 EAADRO COc1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)sn1 ZINC001278084701 794649341 /nfs/dbraw/zinc/64/93/41/794649341.db2.gz GDNHMTFDBUUXSX-SFYZADRCSA-N 1 0 342.377 -1.363 20 0 EAADRO COc1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)sn1 ZINC001278084702 794649419 /nfs/dbraw/zinc/64/94/19/794649419.db2.gz GDNHMTFDBUUXSX-YUMQZZPRSA-N 1 0 342.377 -1.363 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)C1CS(=O)(=O)C1 ZINC001278086687 794648724 /nfs/dbraw/zinc/64/87/24/794648724.db2.gz YIGBLCOMZACGGO-JTQLQIEISA-N 1 0 347.393 -2.753 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)C1CS(=O)(=O)C1 ZINC001278086693 794649101 /nfs/dbraw/zinc/64/91/01/794649101.db2.gz YIGBLCOMZACGGO-SNVBAGLBSA-N 1 0 347.393 -2.753 20 0 EAADRO CC1(NC(=O)Cc2nc[nH]n2)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001278087152 794649239 /nfs/dbraw/zinc/64/92/39/794649239.db2.gz COQLCJKEFRYIML-UHFFFAOYSA-N 1 0 349.395 -1.130 20 0 EAADRO Cn1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c(C2CC2)n1 ZINC001278093032 794648866 /nfs/dbraw/zinc/64/88/66/794648866.db2.gz FYIBLRGWEUCHLU-CMPLNLGQSA-N 1 0 349.391 -1.217 20 0 EAADRO Cn1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c(C2CC2)n1 ZINC001278093033 794648593 /nfs/dbraw/zinc/64/85/93/794648593.db2.gz FYIBLRGWEUCHLU-JQWIXIFHSA-N 1 0 349.391 -1.217 20 0 EAADRO Cn1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c(C2CC2)n1 ZINC001278093034 794649184 /nfs/dbraw/zinc/64/91/84/794649184.db2.gz FYIBLRGWEUCHLU-PWSUYJOCSA-N 1 0 349.391 -1.217 20 0 EAADRO Cn1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c(C2CC2)n1 ZINC001278093035 794649068 /nfs/dbraw/zinc/64/90/68/794649068.db2.gz FYIBLRGWEUCHLU-ZYHUDNBSSA-N 1 0 349.391 -1.217 20 0 EAADRO Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2NC(=O)NC2=O)c(C)n1 ZINC001278093119 794648740 /nfs/dbraw/zinc/64/87/40/794648740.db2.gz HJWYXZAKKZYGJQ-OLZOCXBDSA-N 1 0 349.391 -1.137 20 0 EAADRO Cc1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2NC(=O)NC2=O)c(C)n1 ZINC001278093121 794649308 /nfs/dbraw/zinc/64/93/08/794649308.db2.gz HJWYXZAKKZYGJQ-STQMWFEESA-N 1 0 349.391 -1.137 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn2ncccc12 ZINC001278093246 794648839 /nfs/dbraw/zinc/64/88/39/794648839.db2.gz HXDGXAMZKDEGIU-GXSJLCMTSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cnn2ncccc12 ZINC001278093269 794649376 /nfs/dbraw/zinc/64/93/76/794649376.db2.gz HXDGXAMZKDEGIU-KOLCDFICSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn2ncccc12 ZINC001278093271 794648959 /nfs/dbraw/zinc/64/89/59/794648959.db2.gz HXDGXAMZKDEGIU-MWLCHTKSSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cnn2ncccc12 ZINC001278093273 794649057 /nfs/dbraw/zinc/64/90/57/794649057.db2.gz HXDGXAMZKDEGIU-ONGXEEELSA-N 1 0 346.347 -1.785 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001278093413 794649395 /nfs/dbraw/zinc/64/93/95/794649395.db2.gz KBMKYEZYVASFOH-JTQLQIEISA-N 1 0 346.409 -1.610 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001278093414 794650315 /nfs/dbraw/zinc/65/03/15/794650315.db2.gz KBMKYEZYVASFOH-SNVBAGLBSA-N 1 0 346.409 -1.610 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCNC(=O)C1CC1)c1cc2n(n1)CCO2 ZINC001278093493 794650648 /nfs/dbraw/zinc/65/06/48/794650648.db2.gz LZVIMYZRZURWSN-LLVKDONJSA-N 1 0 337.380 -1.518 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCNC(=O)C1CC1)c1cc2n(n1)CCO2 ZINC001278093494 794650864 /nfs/dbraw/zinc/65/08/64/794650864.db2.gz LZVIMYZRZURWSN-NSHDSACASA-N 1 0 337.380 -1.518 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCn1cccn1)c1cnc2n[nH]nc2c1 ZINC001278093579 794650732 /nfs/dbraw/zinc/65/07/32/794650732.db2.gz NMDSYCMPOROCDX-LLVKDONJSA-N 1 0 330.352 -1.070 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCn1cccn1)c1cnc2n[nH]nc2c1 ZINC001278093580 794650663 /nfs/dbraw/zinc/65/06/63/794650663.db2.gz NMDSYCMPOROCDX-NSHDSACASA-N 1 0 330.352 -1.070 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001278093603 794650960 /nfs/dbraw/zinc/65/09/60/794650960.db2.gz NVPQQSPSICCRPP-KOLCDFICSA-N 1 0 338.368 -2.373 20 0 EAADRO Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001278093604 794650807 /nfs/dbraw/zinc/65/08/07/794650807.db2.gz NVPQQSPSICCRPP-ONGXEEELSA-N 1 0 338.368 -2.373 20 0 EAADRO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)N2C(=O)CCC2=O)cn1 ZINC001278093643 794650251 /nfs/dbraw/zinc/65/02/51/794650251.db2.gz ONXLZMKRPBZIKJ-GWCFXTLKSA-N 1 0 349.391 -1.111 20 0 EAADRO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)N2C(=O)CCC2=O)cn1 ZINC001278093644 794651078 /nfs/dbraw/zinc/65/10/78/794651078.db2.gz ONXLZMKRPBZIKJ-GXFFZTMASA-N 1 0 349.391 -1.111 20 0 EAADRO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)N2C(=O)CCC2=O)cn1 ZINC001278093645 794650360 /nfs/dbraw/zinc/65/03/60/794650360.db2.gz ONXLZMKRPBZIKJ-MFKMUULPSA-N 1 0 349.391 -1.111 20 0 EAADRO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)N2C(=O)CCC2=O)cn1 ZINC001278093646 794651000 /nfs/dbraw/zinc/65/10/00/794651000.db2.gz ONXLZMKRPBZIKJ-ZWNOBZJWSA-N 1 0 349.391 -1.111 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](CO)[NH2+]CCc1ccns1 ZINC001278093785 794650761 /nfs/dbraw/zinc/65/07/61/794650761.db2.gz QXPDOHPYRJGVPU-SCZZXKLOSA-N 1 0 341.393 -1.650 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](CO)[NH2+]CCc1ccns1 ZINC001278093786 794650305 /nfs/dbraw/zinc/65/03/05/794650305.db2.gz QXPDOHPYRJGVPU-WPRPVWTQSA-N 1 0 341.393 -1.650 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCn1cncn1)c1ccnc2ccnn21 ZINC001278093789 794650540 /nfs/dbraw/zinc/65/05/40/794650540.db2.gz QYTGDQQGXIGGIK-LLVKDONJSA-N 1 0 330.352 -1.299 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)c1ccnc2ccnn21 ZINC001278093790 794651033 /nfs/dbraw/zinc/65/10/33/794651033.db2.gz QYTGDQQGXIGGIK-NSHDSACASA-N 1 0 330.352 -1.299 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)C1(F)CCOCC1 ZINC001278093811 794650498 /nfs/dbraw/zinc/65/04/98/794650498.db2.gz RGCODVXMKHRREE-LLVKDONJSA-N 1 0 345.371 -1.279 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)C1(F)CCOCC1 ZINC001278093812 794650838 /nfs/dbraw/zinc/65/08/38/794650838.db2.gz RGCODVXMKHRREE-NSHDSACASA-N 1 0 345.371 -1.279 20 0 EAADRO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccc3n[nH]nc3n2)cn1 ZINC001278094021 794650707 /nfs/dbraw/zinc/65/07/07/794650707.db2.gz RNRRVBXNTJDZPU-JTQLQIEISA-N 1 0 330.352 -1.033 20 0 EAADRO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccc3n[nH]nc3n2)cn1 ZINC001278094022 794650374 /nfs/dbraw/zinc/65/03/74/794650374.db2.gz RNRRVBXNTJDZPU-SNVBAGLBSA-N 1 0 330.352 -1.033 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001278094519 794651052 /nfs/dbraw/zinc/65/10/52/794651052.db2.gz WLKXTGGXFJFZDU-GHMZBOCLSA-N 1 0 342.396 -1.885 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001278094520 794650225 /nfs/dbraw/zinc/65/02/25/794650225.db2.gz WLKXTGGXFJFZDU-MNOVXSKESA-N 1 0 342.396 -1.885 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001278094521 794650669 /nfs/dbraw/zinc/65/06/69/794650669.db2.gz WLKXTGGXFJFZDU-QWRGUYRKSA-N 1 0 342.396 -1.885 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001278094522 794650814 /nfs/dbraw/zinc/65/08/14/794650814.db2.gz WLKXTGGXFJFZDU-WDEREUQCSA-N 1 0 342.396 -1.885 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)C1C=CC=CC=C1 ZINC001278094788 794651021 /nfs/dbraw/zinc/65/10/21/794651021.db2.gz ZLGQLFFUFBMFFO-CYBMUJFWSA-N 1 0 334.376 -1.097 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)C1C=CC=CC=C1 ZINC001278094789 794650936 /nfs/dbraw/zinc/65/09/36/794650936.db2.gz ZLGQLFFUFBMFFO-ZDUSSCGKSA-N 1 0 334.376 -1.097 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCNC1=O ZINC001278099055 794650683 /nfs/dbraw/zinc/65/06/83/794650683.db2.gz CBOMOUDYIXTRKR-NXEZZACHSA-N 1 0 341.368 -2.869 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCNC1=O ZINC001278099056 794650347 /nfs/dbraw/zinc/65/03/47/794650347.db2.gz CBOMOUDYIXTRKR-UWVGGRQHSA-N 1 0 341.368 -2.869 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCNC1=O ZINC001278099057 794650022 /nfs/dbraw/zinc/65/00/22/794650022.db2.gz CBOMOUDYIXTRKR-VHSXEESVSA-N 1 0 341.368 -2.869 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCNC1=O ZINC001278099058 794650639 /nfs/dbraw/zinc/65/06/39/794650639.db2.gz CBOMOUDYIXTRKR-ZJUUUORDSA-N 1 0 341.368 -2.869 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC(=O)C1 ZINC001278099255 794650476 /nfs/dbraw/zinc/65/04/76/794650476.db2.gz HKQHYCZAEXUNBK-BLLLJJGKSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC(=O)C1 ZINC001278099256 794650268 /nfs/dbraw/zinc/65/02/68/794650268.db2.gz HKQHYCZAEXUNBK-LRDDRELGSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC(=O)C1 ZINC001278099257 794650749 /nfs/dbraw/zinc/65/07/49/794650749.db2.gz HKQHYCZAEXUNBK-MLGOLLRUSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC(=O)C1 ZINC001278099258 794650243 /nfs/dbraw/zinc/65/02/43/794650243.db2.gz HKQHYCZAEXUNBK-WBMJQRKESA-N 1 0 340.424 -1.504 20 0 EAADRO CC(C)C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CCNC1=O ZINC001278099259 794650451 /nfs/dbraw/zinc/65/04/51/794650451.db2.gz HKYAFGBXSCUEEX-BLLLJJGKSA-N 1 0 342.440 -1.306 20 0 EAADRO CC(C)C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CCNC1=O ZINC001278099260 794650296 /nfs/dbraw/zinc/65/02/96/794650296.db2.gz HKYAFGBXSCUEEX-LRDDRELGSA-N 1 0 342.440 -1.306 20 0 EAADRO CC(C)C[C@]1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CCNC1=O ZINC001278099261 794650555 /nfs/dbraw/zinc/65/05/55/794650555.db2.gz HKYAFGBXSCUEEX-MLGOLLRUSA-N 1 0 342.440 -1.306 20 0 EAADRO CC(C)C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CCNC1=O ZINC001278099262 794650772 /nfs/dbraw/zinc/65/07/72/794650772.db2.gz HKYAFGBXSCUEEX-WBMJQRKESA-N 1 0 342.440 -1.306 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC1(F)F ZINC001278099385 794649945 /nfs/dbraw/zinc/64/99/45/794649945.db2.gz JZHSLGMSDURALP-BDAKNGLRSA-N 1 0 329.369 -1.352 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC1(F)F ZINC001278099386 794650217 /nfs/dbraw/zinc/65/02/17/794650217.db2.gz JZHSLGMSDURALP-DTWKUNHWSA-N 1 0 329.369 -1.352 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC1(F)F ZINC001278099387 794650568 /nfs/dbraw/zinc/65/05/68/794650568.db2.gz JZHSLGMSDURALP-IUCAKERBSA-N 1 0 329.369 -1.352 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC1(F)F ZINC001278099388 794650186 /nfs/dbraw/zinc/65/01/86/794650186.db2.gz JZHSLGMSDURALP-RKDXNWHRSA-N 1 0 329.369 -1.352 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001278099403 794649966 /nfs/dbraw/zinc/64/99/66/794649966.db2.gz KEFAEOZMGUZJMJ-JTQLQIEISA-N 1 0 330.429 -1.273 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001278099404 794651065 /nfs/dbraw/zinc/65/10/65/794651065.db2.gz KEFAEOZMGUZJMJ-SNVBAGLBSA-N 1 0 330.429 -1.273 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278099417 794650390 /nfs/dbraw/zinc/65/03/90/794650390.db2.gz KJSQMWUXHFDDFV-NEPJUHHUSA-N 1 0 328.413 -1.552 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001278099418 794650825 /nfs/dbraw/zinc/65/08/25/794650825.db2.gz KJSQMWUXHFDDFV-NWDGAFQWSA-N 1 0 328.413 -1.552 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278099419 794650051 /nfs/dbraw/zinc/65/00/51/794650051.db2.gz KJSQMWUXHFDDFV-RYUDHWBXSA-N 1 0 328.413 -1.552 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001278099420 794650692 /nfs/dbraw/zinc/65/06/92/794650692.db2.gz KJSQMWUXHFDDFV-VXGBXAGGSA-N 1 0 328.413 -1.552 20 0 EAADRO Cn1cnc2cncc(C(=O)NC[C@H](CO)[NH2+]CCn3cncn3)c21 ZINC001278099501 794650602 /nfs/dbraw/zinc/65/06/02/794650602.db2.gz MCRVPIJLGQCWQO-LLVKDONJSA-N 1 0 344.379 -1.060 20 0 EAADRO Cn1cnc2cncc(C(=O)NC[C@@H](CO)[NH2+]CCn3cncn3)c21 ZINC001278099502 794650853 /nfs/dbraw/zinc/65/08/53/794650853.db2.gz MCRVPIJLGQCWQO-NSHDSACASA-N 1 0 344.379 -1.060 20 0 EAADRO O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001278099530 794650739 /nfs/dbraw/zinc/65/07/39/794650739.db2.gz MITQXTFHFRJBED-NEPJUHHUSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001278099533 794650512 /nfs/dbraw/zinc/65/05/12/794650512.db2.gz MITQXTFHFRJBED-NWDGAFQWSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001278099535 794650333 /nfs/dbraw/zinc/65/03/33/794650333.db2.gz MITQXTFHFRJBED-RYUDHWBXSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001278099537 794650969 /nfs/dbraw/zinc/65/09/69/794650969.db2.gz MITQXTFHFRJBED-VXGBXAGGSA-N 1 0 326.397 -1.895 20 0 EAADRO O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001278100295 794652181 /nfs/dbraw/zinc/65/21/81/794652181.db2.gz VVUMAJNUQHWOFG-NWDGAFQWSA-N 1 0 326.397 -1.752 20 0 EAADRO O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001278100296 794651383 /nfs/dbraw/zinc/65/13/83/794651383.db2.gz VVUMAJNUQHWOFG-VXGBXAGGSA-N 1 0 326.397 -1.752 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCO)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001278100307 794652288 /nfs/dbraw/zinc/65/22/88/794652288.db2.gz WBKIANHLNPOJPK-AEJSXWLSSA-N 1 0 330.303 -1.218 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCO)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001278100308 794651451 /nfs/dbraw/zinc/65/14/51/794651451.db2.gz WBKIANHLNPOJPK-BBBLOLIVSA-N 1 0 330.303 -1.218 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCC(=O)N1 ZINC001278100323 794651742 /nfs/dbraw/zinc/65/17/42/794651742.db2.gz WSRQJVPLNPYMFW-GHMZBOCLSA-N 1 0 340.380 -2.129 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCC(=O)N1 ZINC001278100324 794652257 /nfs/dbraw/zinc/65/22/57/794652257.db2.gz WSRQJVPLNPYMFW-WDEREUQCSA-N 1 0 340.380 -2.129 20 0 EAADRO Cc1ncn(C)c1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278100375 794652303 /nfs/dbraw/zinc/65/23/03/794652303.db2.gz XWXQADVLNLNATH-LLVKDONJSA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1ncn(C)c1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278100376 794651953 /nfs/dbraw/zinc/65/19/53/794651953.db2.gz XWXQADVLNLNATH-NSHDSACASA-N 1 0 337.380 -1.442 20 0 EAADRO Cc1ncn(C)c1C(=O)NC[C@H](CO)[NH2+]CCCS(C)(=O)=O ZINC001278100671 794651925 /nfs/dbraw/zinc/65/19/25/794651925.db2.gz ZZJHDZMFVULFRC-LLVKDONJSA-N 1 0 332.426 -1.156 20 0 EAADRO Cc1ncn(C)c1C(=O)NC[C@@H](CO)[NH2+]CCCS(C)(=O)=O ZINC001278100673 794652091 /nfs/dbraw/zinc/65/20/91/794652091.db2.gz ZZJHDZMFVULFRC-NSHDSACASA-N 1 0 332.426 -1.156 20 0 EAADRO Cn1nnnc1C[NH+]1CCC2(CO[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001278100731 794652101 /nfs/dbraw/zinc/65/21/01/794652101.db2.gz AHRCTGXOEWZDFB-JTQLQIEISA-N 1 0 337.384 -1.817 20 0 EAADRO Cn1nnnc1C[NH+]1CCC2(CO[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001278100733 794651915 /nfs/dbraw/zinc/65/19/15/794651915.db2.gz AHRCTGXOEWZDFB-SNVBAGLBSA-N 1 0 337.384 -1.817 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001278100797 794651330 /nfs/dbraw/zinc/65/13/30/794651330.db2.gz BJJWCBGPJQFQQD-LLVKDONJSA-N 1 0 326.397 -1.405 20 0 EAADRO CNC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001278100798 794652244 /nfs/dbraw/zinc/65/22/44/794652244.db2.gz BJJWCBGPJQFQQD-NSHDSACASA-N 1 0 326.397 -1.405 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC2(CO[C@@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001278101684 794652088 /nfs/dbraw/zinc/65/20/88/794652088.db2.gz ITQXLNZTOOSGRK-QWHCGFSZSA-N 1 0 343.424 -1.144 20 0 EAADRO COC[C@@H](O)C[NH+]1CCC2(CO[C@H](CNC(=O)CC(N)=O)C2)CC1 ZINC001278101685 794651288 /nfs/dbraw/zinc/65/12/88/794651288.db2.gz ITQXLNZTOOSGRK-STQMWFEESA-N 1 0 343.424 -1.144 20 0 EAADRO C[C@H](C(=O)N(C)C)[NH+]1CCC2(CO[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001278101755 794651509 /nfs/dbraw/zinc/65/15/09/794651509.db2.gz JYKSHWFHDVXIDP-NEPJUHHUSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CO[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001278101756 794652211 /nfs/dbraw/zinc/65/22/11/794652211.db2.gz JYKSHWFHDVXIDP-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CO[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001278101757 794651420 /nfs/dbraw/zinc/65/14/20/794651420.db2.gz JYKSHWFHDVXIDP-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H](C(=O)N(C)C)[NH+]1CCC2(CO[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001278101758 794651317 /nfs/dbraw/zinc/65/13/17/794651317.db2.gz JYKSHWFHDVXIDP-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001278102421 794652403 /nfs/dbraw/zinc/65/24/03/794652403.db2.gz RELUMDZTHXYWIG-LLVKDONJSA-N 1 0 338.408 -1.276 20 0 EAADRO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001278102422 794652324 /nfs/dbraw/zinc/65/23/24/794652324.db2.gz RELUMDZTHXYWIG-NSHDSACASA-N 1 0 338.408 -1.276 20 0 EAADRO O=C(NCC(F)F)C(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001278104946 794652164 /nfs/dbraw/zinc/65/21/64/794652164.db2.gz CGXVUGIKTYVMIH-BDAKNGLRSA-N 1 0 346.338 -1.787 20 0 EAADRO O=C(NCC(F)F)C(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001278104947 794652222 /nfs/dbraw/zinc/65/22/22/794652222.db2.gz CGXVUGIKTYVMIH-DTWKUNHWSA-N 1 0 346.338 -1.787 20 0 EAADRO O=C(NCC(F)F)C(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001278104948 794652420 /nfs/dbraw/zinc/65/24/20/794652420.db2.gz CGXVUGIKTYVMIH-IUCAKERBSA-N 1 0 346.338 -1.787 20 0 EAADRO O=C(NCC(F)F)C(=O)NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001278104949 794651992 /nfs/dbraw/zinc/65/19/92/794651992.db2.gz CGXVUGIKTYVMIH-RKDXNWHRSA-N 1 0 346.338 -1.787 20 0 EAADRO Cc1nnccc1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278104976 794651627 /nfs/dbraw/zinc/65/16/27/794651627.db2.gz CREFSAKHJCJSPV-JTQLQIEISA-N 1 0 331.398 -1.985 20 0 EAADRO Cc1nnccc1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278104977 794651254 /nfs/dbraw/zinc/65/12/54/794651254.db2.gz CREFSAKHJCJSPV-SNVBAGLBSA-N 1 0 331.398 -1.985 20 0 EAADRO Cn1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cc1=O ZINC001278105038 794651794 /nfs/dbraw/zinc/65/17/94/794651794.db2.gz DZDZCPMMDCPJQW-GHMZBOCLSA-N 1 0 336.348 -2.129 20 0 EAADRO Cn1ccc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cc1=O ZINC001278105039 794651589 /nfs/dbraw/zinc/65/15/89/794651589.db2.gz DZDZCPMMDCPJQW-MNOVXSKESA-N 1 0 336.348 -2.129 20 0 EAADRO Cn1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cc1=O ZINC001278105040 794652248 /nfs/dbraw/zinc/65/22/48/794652248.db2.gz DZDZCPMMDCPJQW-QWRGUYRKSA-N 1 0 336.348 -2.129 20 0 EAADRO Cn1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cc1=O ZINC001278105041 794651934 /nfs/dbraw/zinc/65/19/34/794651934.db2.gz DZDZCPMMDCPJQW-WDEREUQCSA-N 1 0 336.348 -2.129 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1n[nH]c2c1CCCC2 ZINC001278105431 794652113 /nfs/dbraw/zinc/65/21/13/794652113.db2.gz IYIZITAQZDUYQX-BXKDBHETSA-N 1 0 349.391 -1.226 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1n[nH]c2c1CCCC2 ZINC001278105433 794651653 /nfs/dbraw/zinc/65/16/53/794651653.db2.gz IYIZITAQZDUYQX-CABZTGNLSA-N 1 0 349.391 -1.226 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1n[nH]c2c1CCCC2 ZINC001278105438 794651776 /nfs/dbraw/zinc/65/17/76/794651776.db2.gz IYIZITAQZDUYQX-JOYOIKCWSA-N 1 0 349.391 -1.226 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1n[nH]c2c1CCCC2 ZINC001278105439 794651676 /nfs/dbraw/zinc/65/16/76/794651676.db2.gz IYIZITAQZDUYQX-SKDRFNHKSA-N 1 0 349.391 -1.226 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001278105824 794652376 /nfs/dbraw/zinc/65/23/76/794652376.db2.gz PPJBUXLJKJUDPM-SECBINFHSA-N 1 0 333.339 -1.589 20 0 EAADRO Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001278105825 794651242 /nfs/dbraw/zinc/65/12/42/794651242.db2.gz PPJBUXLJKJUDPM-VIFPVBQESA-N 1 0 333.339 -1.589 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001278106081 794651852 /nfs/dbraw/zinc/65/18/52/794651852.db2.gz TZQOWSAJNYGNEW-CHWSQXEVSA-N 1 0 334.376 -1.078 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001278106082 794651185 /nfs/dbraw/zinc/65/11/85/794651185.db2.gz TZQOWSAJNYGNEW-OLZOCXBDSA-N 1 0 334.376 -1.078 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001278106083 794652330 /nfs/dbraw/zinc/65/23/30/794652330.db2.gz TZQOWSAJNYGNEW-QWHCGFSZSA-N 1 0 334.376 -1.078 20 0 EAADRO CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001278106084 794652951 /nfs/dbraw/zinc/65/29/51/794652951.db2.gz TZQOWSAJNYGNEW-STQMWFEESA-N 1 0 334.376 -1.078 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C(=O)Nc1ccccc1 ZINC001278106411 794653244 /nfs/dbraw/zinc/65/32/44/794653244.db2.gz YONRDRLWVCZGPS-OLZOCXBDSA-N 1 0 325.365 -1.301 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C(=O)Nc1ccccc1 ZINC001278106412 794653152 /nfs/dbraw/zinc/65/31/52/794653152.db2.gz YONRDRLWVCZGPS-STQMWFEESA-N 1 0 325.365 -1.301 20 0 EAADRO Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001278106429 794653230 /nfs/dbraw/zinc/65/32/30/794653230.db2.gz YXMKTJHLXLXVSE-NEPJUHHUSA-N 1 0 339.396 -1.096 20 0 EAADRO Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001278106430 794653267 /nfs/dbraw/zinc/65/32/67/794653267.db2.gz YXMKTJHLXLXVSE-NWDGAFQWSA-N 1 0 339.396 -1.096 20 0 EAADRO Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001278106431 794653175 /nfs/dbraw/zinc/65/31/75/794653175.db2.gz YXMKTJHLXLXVSE-RYUDHWBXSA-N 1 0 339.396 -1.096 20 0 EAADRO Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001278106432 794652914 /nfs/dbraw/zinc/65/29/14/794652914.db2.gz YXMKTJHLXLXVSE-VXGBXAGGSA-N 1 0 339.396 -1.096 20 0 EAADRO O=C(Cc1ccccc1)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278106433 794653123 /nfs/dbraw/zinc/65/31/23/794653123.db2.gz ZAJGIIQOTSIGTF-CYBMUJFWSA-N 1 0 334.376 -1.152 20 0 EAADRO O=C(Cc1ccccc1)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278106434 794653196 /nfs/dbraw/zinc/65/31/96/794653196.db2.gz ZAJGIIQOTSIGTF-ZDUSSCGKSA-N 1 0 334.376 -1.152 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NC[C@H](CO)[NH2+]CCCF ZINC001278111655 794653000 /nfs/dbraw/zinc/65/30/00/794653000.db2.gz CSLJFLFJRYIPRY-LLVKDONJSA-N 1 0 325.406 -1.162 20 0 EAADRO O=C(CN1CCCCS1(=O)=O)NC[C@@H](CO)[NH2+]CCCF ZINC001278111661 794653191 /nfs/dbraw/zinc/65/31/91/794653191.db2.gz CSLJFLFJRYIPRY-NSHDSACASA-N 1 0 325.406 -1.162 20 0 EAADRO Cn1ccc(=O)c(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001278111790 794653111 /nfs/dbraw/zinc/65/31/11/794653111.db2.gz DXIOPOTWJPPCJI-GXSJLCMTSA-N 1 0 336.348 -2.129 20 0 EAADRO Cn1ccc(=O)c(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001278111791 794653365 /nfs/dbraw/zinc/65/33/65/794653365.db2.gz DXIOPOTWJPPCJI-KOLCDFICSA-N 1 0 336.348 -2.129 20 0 EAADRO Cn1ccc(=O)c(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001278111792 794653324 /nfs/dbraw/zinc/65/33/24/794653324.db2.gz DXIOPOTWJPPCJI-MWLCHTKSSA-N 1 0 336.348 -2.129 20 0 EAADRO Cn1ccc(=O)c(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001278111793 794652922 /nfs/dbraw/zinc/65/29/22/794652922.db2.gz DXIOPOTWJPPCJI-ONGXEEELSA-N 1 0 336.348 -2.129 20 0 EAADRO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnc3c(c2)nnn3C)cn1 ZINC001278112106 794652892 /nfs/dbraw/zinc/65/28/92/794652892.db2.gz HDBIOPBMDSEVPO-GFCCVEGCSA-N 1 0 344.379 -1.023 20 0 EAADRO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnc3c(c2)nnn3C)cn1 ZINC001278112107 794653138 /nfs/dbraw/zinc/65/31/38/794653138.db2.gz HDBIOPBMDSEVPO-LBPRGKRZSA-N 1 0 344.379 -1.023 20 0 EAADRO Cn1nc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cc1Cl ZINC001278112845 794653302 /nfs/dbraw/zinc/65/33/02/794653302.db2.gz PQLDTGWISYYHAU-HTQZYQBOSA-N 1 0 343.771 -1.441 20 0 EAADRO Cn1nc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cc1Cl ZINC001278112857 794653054 /nfs/dbraw/zinc/65/30/54/794653054.db2.gz PQLDTGWISYYHAU-JGVFFNPUSA-N 1 0 343.771 -1.441 20 0 EAADRO Cn1nc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cc1Cl ZINC001278112859 794652876 /nfs/dbraw/zinc/65/28/76/794652876.db2.gz PQLDTGWISYYHAU-SFYZADRCSA-N 1 0 343.771 -1.441 20 0 EAADRO Cn1nc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cc1Cl ZINC001278112861 794653140 /nfs/dbraw/zinc/65/31/40/794653140.db2.gz PQLDTGWISYYHAU-YUMQZZPRSA-N 1 0 343.771 -1.441 20 0 EAADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)C(F)(F)F ZINC001278127669 794654429 /nfs/dbraw/zinc/65/44/29/794654429.db2.gz CDASOHQCQXGKQX-YUMQZZPRSA-N 1 0 340.302 -1.197 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCO)C1(n2cnnn2)CCCCC1 ZINC001278127870 794654688 /nfs/dbraw/zinc/65/46/88/794654688.db2.gz FRIYGVZITQVZRK-GFCCVEGCSA-N 1 0 326.401 -1.218 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCO)C1(n2cnnn2)CCCCC1 ZINC001278127876 794653964 /nfs/dbraw/zinc/65/39/64/794653964.db2.gz FRIYGVZITQVZRK-LBPRGKRZSA-N 1 0 326.401 -1.218 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCN2CCCC2=O)NC1=O ZINC001278128666 794654778 /nfs/dbraw/zinc/65/47/78/794654778.db2.gz JWCQVQRCTAYPKO-NEPJUHHUSA-N 1 0 341.412 -1.911 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCN2CCCC2=O)NC1=O ZINC001278128679 794654705 /nfs/dbraw/zinc/65/47/05/794654705.db2.gz JWCQVQRCTAYPKO-NWDGAFQWSA-N 1 0 341.412 -1.911 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCN2CCCC2=O)NC1=O ZINC001278128874 794654385 /nfs/dbraw/zinc/65/43/85/794654385.db2.gz JWCQVQRCTAYPKO-RYUDHWBXSA-N 1 0 341.412 -1.911 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]CCCN2CCCC2=O)NC1=O ZINC001278128875 794654208 /nfs/dbraw/zinc/65/42/08/794654208.db2.gz JWCQVQRCTAYPKO-VXGBXAGGSA-N 1 0 341.412 -1.911 20 0 EAADRO CNC(=O)c1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC2=O)cc1 ZINC001278129395 794654120 /nfs/dbraw/zinc/65/41/20/794654120.db2.gz MREDSNRBUXSWGK-KBPBESRZSA-N 1 0 348.403 -1.251 20 0 EAADRO CNC(=O)c1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC2=O)cc1 ZINC001278129396 794653781 /nfs/dbraw/zinc/65/37/81/794653781.db2.gz MREDSNRBUXSWGK-KGLIPLIRSA-N 1 0 348.403 -1.251 20 0 EAADRO CNC(=O)c1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc1 ZINC001278129397 794654695 /nfs/dbraw/zinc/65/46/95/794654695.db2.gz MREDSNRBUXSWGK-UONOGXRCSA-N 1 0 348.403 -1.251 20 0 EAADRO CNC(=O)c1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc1 ZINC001278129398 794654700 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O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001278130347 794654453 /nfs/dbraw/zinc/65/44/53/794654453.db2.gz VBPMXQJAYGGPOS-UWVGGRQHSA-N 1 0 326.353 -2.662 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001278130348 794654743 /nfs/dbraw/zinc/65/47/43/794654743.db2.gz VBPMXQJAYGGPOS-VHSXEESVSA-N 1 0 326.353 -2.662 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001278130349 794654149 /nfs/dbraw/zinc/65/41/49/794654149.db2.gz VBPMXQJAYGGPOS-ZJUUUORDSA-N 1 0 326.353 -2.662 20 0 EAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O)N1CCOCC1 ZINC001278130362 794654663 /nfs/dbraw/zinc/65/46/63/794654663.db2.gz VIULPECIQXGIQW-GHMZBOCLSA-N 1 0 328.369 -2.952 20 0 EAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O)N1CCOCC1 ZINC001278130364 794654641 /nfs/dbraw/zinc/65/46/41/794654641.db2.gz VIULPECIQXGIQW-MNOVXSKESA-N 1 0 328.369 -2.952 20 0 EAADRO O=C(C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O)N1CCOCC1 ZINC001278130367 794653976 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EAADRO COc1ncc(C[NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)c(C)n1 ZINC001278137555 794653937 /nfs/dbraw/zinc/65/39/37/794653937.db2.gz IGCFSVXWJOACIS-LLVKDONJSA-N 1 0 337.380 -1.374 20 0 EAADRO COc1ncc(C[NH2+][C@H](CO)CNC(=O)C2(C(N)=O)CC2)c(C)n1 ZINC001278137559 794654371 /nfs/dbraw/zinc/65/43/71/794654371.db2.gz IGCFSVXWJOACIS-NSHDSACASA-N 1 0 337.380 -1.374 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCN1CCCC1=O ZINC001278137972 794654583 /nfs/dbraw/zinc/65/45/83/794654583.db2.gz KGDRTEQDJFEGED-CHWSQXEVSA-N 1 0 340.424 -1.314 20 0 EAADRO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCN1CCCC1=O ZINC001278137978 794654547 /nfs/dbraw/zinc/65/45/47/794654547.db2.gz KGDRTEQDJFEGED-QWHCGFSZSA-N 1 0 340.424 -1.314 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@@H]1Cc2ccccc21 ZINC001278138257 794654596 /nfs/dbraw/zinc/65/45/96/794654596.db2.gz LKSOKWPFLYHTJW-GXTWGEPZSA-N 1 0 346.387 -1.055 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@H]1Cc2ccccc21 ZINC001278138261 794654093 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340.424 -1.456 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCCC2)C1=O ZINC001278139515 794654657 /nfs/dbraw/zinc/65/46/57/794654657.db2.gz SRZXOSXTXTWEFA-OLZOCXBDSA-N 1 0 340.424 -1.456 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCCC2)C1=O ZINC001278139517 794653812 /nfs/dbraw/zinc/65/38/12/794653812.db2.gz SRZXOSXTXTWEFA-QWHCGFSZSA-N 1 0 340.424 -1.456 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCCC2)C1=O ZINC001278139519 794654786 /nfs/dbraw/zinc/65/47/86/794654786.db2.gz SRZXOSXTXTWEFA-STQMWFEESA-N 1 0 340.424 -1.456 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)C1=O ZINC001278139667 794654004 /nfs/dbraw/zinc/65/40/04/794654004.db2.gz UXCKWALKCDSDON-GHMZBOCLSA-N 1 0 340.380 -2.320 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)C1=O ZINC001278139668 794654196 /nfs/dbraw/zinc/65/41/96/794654196.db2.gz UXCKWALKCDSDON-MNOVXSKESA-N 1 0 340.380 -2.320 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)C1=O ZINC001278139669 794654485 /nfs/dbraw/zinc/65/44/85/794654485.db2.gz UXCKWALKCDSDON-QWRGUYRKSA-N 1 0 340.380 -2.320 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)C1=O ZINC001278139670 794654711 /nfs/dbraw/zinc/65/47/11/794654711.db2.gz UXCKWALKCDSDON-WDEREUQCSA-N 1 0 340.380 -2.320 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@]1(F)CCOC1 ZINC001278139709 794654255 /nfs/dbraw/zinc/65/42/55/794654255.db2.gz VRFBRJCPZQIMBN-HZMBPMFUSA-N 1 0 331.344 -1.669 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@@]1(F)CCOC1 ZINC001278139710 794654635 /nfs/dbraw/zinc/65/46/35/794654635.db2.gz VRFBRJCPZQIMBN-IINYFYTJSA-N 1 0 331.344 -1.669 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@@]1(F)CCOC1 ZINC001278139711 794654667 /nfs/dbraw/zinc/65/46/67/794654667.db2.gz VRFBRJCPZQIMBN-QMTHXVAHSA-N 1 0 331.344 -1.669 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@]1(F)CCOC1 ZINC001278139712 794653795 /nfs/dbraw/zinc/65/37/95/794653795.db2.gz VRFBRJCPZQIMBN-YGRLFVJLSA-N 1 0 331.344 -1.669 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1=O ZINC001278140169 794655661 /nfs/dbraw/zinc/65/56/61/794655661.db2.gz YPTCQUNVKDGZEG-NXEZZACHSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1=O ZINC001278140170 794655534 /nfs/dbraw/zinc/65/55/34/794655534.db2.gz YPTCQUNVKDGZEG-UWVGGRQHSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1=O ZINC001278140171 794655496 /nfs/dbraw/zinc/65/54/96/794655496.db2.gz YPTCQUNVKDGZEG-VHSXEESVSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1=O ZINC001278140172 794655449 /nfs/dbraw/zinc/65/54/49/794655449.db2.gz YPTCQUNVKDGZEG-ZJUUUORDSA-N 1 0 341.368 -2.917 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001278140264 794655434 /nfs/dbraw/zinc/65/54/34/794655434.db2.gz ZYOBNGIXVXFDSZ-BDAKNGLRSA-N 1 0 329.357 -3.013 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001278140268 794655751 /nfs/dbraw/zinc/65/57/51/794655751.db2.gz ZYOBNGIXVXFDSZ-DTWKUNHWSA-N 1 0 329.357 -3.013 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001278140269 794655335 /nfs/dbraw/zinc/65/53/35/794655335.db2.gz ZYOBNGIXVXFDSZ-IUCAKERBSA-N 1 0 329.357 -3.013 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001278140271 794655951 /nfs/dbraw/zinc/65/59/51/794655951.db2.gz ZYOBNGIXVXFDSZ-RKDXNWHRSA-N 1 0 329.357 -3.013 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001278145474 794656274 /nfs/dbraw/zinc/65/62/74/794656274.db2.gz AFWPMENOUPUYOR-GHMZBOCLSA-N 1 0 326.397 -1.672 20 0 EAADRO CC(C)N1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001278145476 794656049 /nfs/dbraw/zinc/65/60/49/794656049.db2.gz AFWPMENOUPUYOR-MNOVXSKESA-N 1 0 326.397 -1.672 20 0 EAADRO CC(C)N1CC[C@H]([NH2+][C@H](CO)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001278145477 794655996 /nfs/dbraw/zinc/65/59/96/794655996.db2.gz 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Cc1nocc1C(=O)NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O ZINC001278147096 794655688 /nfs/dbraw/zinc/65/56/88/794655688.db2.gz KMMOZWKHNXSQRG-JTQLQIEISA-N 1 0 339.352 -1.395 20 0 EAADRO Cc1nocc1C(=O)NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O ZINC001278147097 794656091 /nfs/dbraw/zinc/65/60/91/794656091.db2.gz KMMOZWKHNXSQRG-SNVBAGLBSA-N 1 0 339.352 -1.395 20 0 EAADRO C[C@H]([NH2+][C@@H](CO)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001278148439 794655985 /nfs/dbraw/zinc/65/59/85/794655985.db2.gz VHOLJKBLZMXXJA-CMPLNLGQSA-N 1 0 328.413 -1.377 20 0 EAADRO C[C@H]([NH2+][C@H](CO)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001278148440 794655770 /nfs/dbraw/zinc/65/57/70/794655770.db2.gz VHOLJKBLZMXXJA-JQWIXIFHSA-N 1 0 328.413 -1.377 20 0 EAADRO C[C@@H]([NH2+][C@H](CO)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001278148441 794655634 /nfs/dbraw/zinc/65/56/34/794655634.db2.gz VHOLJKBLZMXXJA-PWSUYJOCSA-N 1 0 328.413 -1.377 20 0 EAADRO C[C@@H]([NH2+][C@@H](CO)CNC(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001278148442 794655623 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347.375 -1.161 20 0 EAADRO Cc1ccnn1CC(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278165149 794657649 /nfs/dbraw/zinc/65/76/49/794657649.db2.gz UHFGTVWRDCDSBS-GFCCVEGCSA-N 1 0 337.380 -1.593 20 0 EAADRO Cc1ccnn1CC(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278165153 794657538 /nfs/dbraw/zinc/65/75/38/794657538.db2.gz UHFGTVWRDCDSBS-LBPRGKRZSA-N 1 0 337.380 -1.593 20 0 EAADRO CC(C)=CC[NH2+][C@@H](CO)CNC(=O)Cn1ncn2nccc2c1=O ZINC001278165309 794657640 /nfs/dbraw/zinc/65/76/40/794657640.db2.gz VKSSGJNYIUYESA-GFCCVEGCSA-N 1 0 334.380 -1.076 20 0 EAADRO CC(C)=CC[NH2+][C@H](CO)CNC(=O)Cn1ncn2nccc2c1=O ZINC001278165311 794657340 /nfs/dbraw/zinc/65/73/40/794657340.db2.gz VKSSGJNYIUYESA-LBPRGKRZSA-N 1 0 334.380 -1.076 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCO)C1(n2cnnn2)CCOCC1 ZINC001278165375 794657150 /nfs/dbraw/zinc/65/71/50/794657150.db2.gz WFGRIUWYKLVRNL-LLVKDONJSA-N 1 0 328.373 -2.372 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCO)C1(n2cnnn2)CCOCC1 ZINC001278165382 794657459 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ZINC001278171279 794656900 /nfs/dbraw/zinc/65/69/00/794656900.db2.gz CUFOIFFDDKGUMQ-QWRGUYRKSA-N 1 0 340.380 -2.273 20 0 EAADRO CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001278171280 794657712 /nfs/dbraw/zinc/65/77/12/794657712.db2.gz CUFOIFFDDKGUMQ-WDEREUQCSA-N 1 0 340.380 -2.273 20 0 EAADRO CO[C@H](C[NH2+][C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1)C1CCC1 ZINC001278171357 794657177 /nfs/dbraw/zinc/65/71/77/794657177.db2.gz FQIKMJUAIDNPPG-CHWSQXEVSA-N 1 0 341.408 -1.079 20 0 EAADRO CO[C@@H](C[NH2+][C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1)C1CCC1 ZINC001278171358 794656679 /nfs/dbraw/zinc/65/66/79/794656679.db2.gz FQIKMJUAIDNPPG-OLZOCXBDSA-N 1 0 341.408 -1.079 20 0 EAADRO CO[C@H](C[NH2+][C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1)C1CCC1 ZINC001278171359 794657307 /nfs/dbraw/zinc/65/73/07/794657307.db2.gz FQIKMJUAIDNPPG-QWHCGFSZSA-N 1 0 341.408 -1.079 20 0 EAADRO CO[C@@H](C[NH2+][C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1)C1CCC1 ZINC001278171360 794656954 /nfs/dbraw/zinc/65/69/54/794656954.db2.gz FQIKMJUAIDNPPG-STQMWFEESA-N 1 0 341.408 -1.079 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCNC(=O)C(F)(F)F)c1nnc[nH]1 ZINC001278171506 794656724 /nfs/dbraw/zinc/65/67/24/794656724.db2.gz HSLQWZNBFUICJR-SSDOTTSWSA-N 1 0 338.290 -1.446 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCNC(=O)C(F)(F)F)c1nnc[nH]1 ZINC001278171508 794656871 /nfs/dbraw/zinc/65/68/71/794656871.db2.gz HSLQWZNBFUICJR-ZETCQYMHSA-N 1 0 338.290 -1.446 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC001278171612 794656665 /nfs/dbraw/zinc/65/66/65/794656665.db2.gz JCALDEWZSOZFIP-CYBMUJFWSA-N 1 0 348.403 -1.122 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC001278171613 794656819 /nfs/dbraw/zinc/65/68/19/794656819.db2.gz JCALDEWZSOZFIP-ZDUSSCGKSA-N 1 0 348.403 -1.122 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001278171677 794657363 /nfs/dbraw/zinc/65/73/63/794657363.db2.gz KGKSBXFGWHQRMX-LLVKDONJSA-N 1 0 342.396 -2.562 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001278171678 794657513 /nfs/dbraw/zinc/65/75/13/794657513.db2.gz KGKSBXFGWHQRMX-NSHDSACASA-N 1 0 342.396 -2.562 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001278171749 794656714 /nfs/dbraw/zinc/65/67/14/794656714.db2.gz LUZUICAHIYXJKJ-JTQLQIEISA-N 1 0 342.396 -1.979 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001278171750 794657415 /nfs/dbraw/zinc/65/74/15/794657415.db2.gz LUZUICAHIYXJKJ-SNVBAGLBSA-N 1 0 342.396 -1.979 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001278171782 794657527 /nfs/dbraw/zinc/65/75/27/794657527.db2.gz MKPJFBAFVRQZIO-NXEZZACHSA-N 1 0 326.353 -2.663 20 0 EAADRO CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001278171783 794657602 /nfs/dbraw/zinc/65/76/02/794657602.db2.gz MKPJFBAFVRQZIO-UWVGGRQHSA-N 1 0 326.353 -2.663 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001278171784 794657444 /nfs/dbraw/zinc/65/74/44/794657444.db2.gz MKPJFBAFVRQZIO-VHSXEESVSA-N 1 0 326.353 -2.663 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001278171787 794657430 /nfs/dbraw/zinc/65/74/30/794657430.db2.gz MKPJFBAFVRQZIO-ZJUUUORDSA-N 1 0 326.353 -2.663 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001278171989 794656695 /nfs/dbraw/zinc/65/66/95/794656695.db2.gz OMNXDCHYEZIQDK-JTQLQIEISA-N 1 0 341.368 -2.918 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001278171990 794656805 /nfs/dbraw/zinc/65/68/05/794656805.db2.gz OMNXDCHYEZIQDK-SNVBAGLBSA-N 1 0 341.368 -2.918 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CC[C@H]1CCOC1)C1CC(=O)NC(=O)C1 ZINC001278172257 794656796 /nfs/dbraw/zinc/65/67/96/794656796.db2.gz RKLXRESUCVXLQN-CMPLNLGQSA-N 1 0 327.381 -1.468 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1)C1CC(=O)NC(=O)C1 ZINC001278172258 794657253 /nfs/dbraw/zinc/65/72/53/794657253.db2.gz RKLXRESUCVXLQN-JQWIXIFHSA-N 1 0 327.381 -1.468 20 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ZINC001278172377 794657183 /nfs/dbraw/zinc/65/71/83/794657183.db2.gz VDFRBMGYPIWSOH-WPRPVWTQSA-N 1 0 328.369 -2.417 20 0 EAADRO O=C(CCc1ncccn1)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278172540 794657020 /nfs/dbraw/zinc/65/70/20/794657020.db2.gz WTSJYUPWVHILMW-GHMZBOCLSA-N 1 0 335.364 -1.719 20 0 EAADRO O=C(CCc1ncccn1)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278172543 794657466 /nfs/dbraw/zinc/65/74/66/794657466.db2.gz WTSJYUPWVHILMW-MNOVXSKESA-N 1 0 335.364 -1.719 20 0 EAADRO O=C(CCc1ncccn1)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278172545 794657790 /nfs/dbraw/zinc/65/77/90/794657790.db2.gz WTSJYUPWVHILMW-QWRGUYRKSA-N 1 0 335.364 -1.719 20 0 EAADRO O=C(CCc1ncccn1)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278172547 794657695 /nfs/dbraw/zinc/65/76/95/794657695.db2.gz WTSJYUPWVHILMW-WDEREUQCSA-N 1 0 335.364 -1.719 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccncn1 ZINC001278172768 794657770 /nfs/dbraw/zinc/65/77/70/794657770.db2.gz YKXCDHNIDDZTRD-LLVKDONJSA-N 1 0 343.347 -1.307 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccncn1 ZINC001278172770 794657310 /nfs/dbraw/zinc/65/73/10/794657310.db2.gz YKXCDHNIDDZTRD-NSHDSACASA-N 1 0 343.347 -1.307 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](CO)[NH2+]C[C@H]2CCOC2)C1=O ZINC001278178208 794658690 /nfs/dbraw/zinc/65/86/90/794658690.db2.gz DAZOAJNETRUKQL-GHMZBOCLSA-N 1 0 328.369 -2.016 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCOC2)C1=O ZINC001278178209 794658934 /nfs/dbraw/zinc/65/89/34/794658934.db2.gz DAZOAJNETRUKQL-MNOVXSKESA-N 1 0 328.369 -2.016 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCOC2)C1=O ZINC001278178210 794658818 /nfs/dbraw/zinc/65/88/18/794658818.db2.gz DAZOAJNETRUKQL-QWRGUYRKSA-N 1 0 328.369 -2.016 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCOC2)C1=O ZINC001278178211 794658325 /nfs/dbraw/zinc/65/83/25/794658325.db2.gz DAZOAJNETRUKQL-WDEREUQCSA-N 1 0 328.369 -2.016 20 0 EAADRO COc1cccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001278178460 794658102 /nfs/dbraw/zinc/65/81/02/794658102.db2.gz GWSWOSQONMUXKV-GXSJLCMTSA-N 1 0 336.348 -1.424 20 0 EAADRO COc1cccc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001278178461 794659219 /nfs/dbraw/zinc/65/92/19/794659219.db2.gz GWSWOSQONMUXKV-KOLCDFICSA-N 1 0 336.348 -1.424 20 0 EAADRO COc1cccc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001278178462 794659089 /nfs/dbraw/zinc/65/90/89/794659089.db2.gz GWSWOSQONMUXKV-MWLCHTKSSA-N 1 0 336.348 -1.424 20 0 EAADRO COc1cccc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001278178463 794659173 /nfs/dbraw/zinc/65/91/73/794659173.db2.gz GWSWOSQONMUXKV-ONGXEEELSA-N 1 0 336.348 -1.424 20 0 EAADRO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC2CC2)cc1=O ZINC001278178468 794658728 /nfs/dbraw/zinc/65/87/28/794658728.db2.gz HCJWLKAUZFCJRD-CYBMUJFWSA-N 1 0 336.392 -1.522 20 0 EAADRO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C(=O)NCC2CC2)cc1=O ZINC001278178469 794658504 /nfs/dbraw/zinc/65/85/04/794658504.db2.gz HCJWLKAUZFCJRD-ZDUSSCGKSA-N 1 0 336.392 -1.522 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1ccc2nccn2c1 ZINC001278178550 794658949 /nfs/dbraw/zinc/65/89/49/794658949.db2.gz IJVLLMVAWAEHGL-NEPJUHHUSA-N 1 0 345.359 -1.180 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2nccn2c1 ZINC001278178551 794658825 /nfs/dbraw/zinc/65/88/25/794658825.db2.gz IJVLLMVAWAEHGL-NWDGAFQWSA-N 1 0 345.359 -1.180 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1ccc2nccn2c1 ZINC001278178552 794659083 /nfs/dbraw/zinc/65/90/83/794659083.db2.gz IJVLLMVAWAEHGL-RYUDHWBXSA-N 1 0 345.359 -1.180 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2nccn2c1 ZINC001278178553 794659152 /nfs/dbraw/zinc/65/91/52/794659152.db2.gz IJVLLMVAWAEHGL-VXGBXAGGSA-N 1 0 345.359 -1.180 20 0 EAADRO Cc1cncc(C[NH2+][C@@H](CO)CNC(=O)CN2CC(=O)N(C)C2=O)c1 ZINC001278178766 794658466 /nfs/dbraw/zinc/65/84/66/794658466.db2.gz KNTBEHSNMNOKRZ-CYBMUJFWSA-N 1 0 349.391 -1.149 20 0 EAADRO Cc1cncc(C[NH2+][C@H](CO)CNC(=O)CN2CC(=O)N(C)C2=O)c1 ZINC001278178767 794659038 /nfs/dbraw/zinc/65/90/38/794659038.db2.gz KNTBEHSNMNOKRZ-ZDUSSCGKSA-N 1 0 349.391 -1.149 20 0 EAADRO CC(C)n1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001278178811 794658838 /nfs/dbraw/zinc/65/88/38/794658838.db2.gz LDUMBVMNKIQMCA-NEPJUHHUSA-N 1 0 337.380 -1.051 20 0 EAADRO CC(C)n1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001278178812 794658677 /nfs/dbraw/zinc/65/86/77/794658677.db2.gz LDUMBVMNKIQMCA-NWDGAFQWSA-N 1 0 337.380 -1.051 20 0 EAADRO CC(C)n1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001278178813 794658335 /nfs/dbraw/zinc/65/83/35/794658335.db2.gz LDUMBVMNKIQMCA-RYUDHWBXSA-N 1 0 337.380 -1.051 20 0 EAADRO CC(C)n1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001278178814 794658045 /nfs/dbraw/zinc/65/80/45/794658045.db2.gz LDUMBVMNKIQMCA-VXGBXAGGSA-N 1 0 337.380 -1.051 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)C1=O ZINC001278178964 794659047 /nfs/dbraw/zinc/65/90/47/794659047.db2.gz MKVFWTJNUXJIFP-NXEZZACHSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)C1=O ZINC001278178965 794658911 /nfs/dbraw/zinc/65/89/11/794658911.db2.gz MKVFWTJNUXJIFP-UWVGGRQHSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)C1=O ZINC001278178966 794659028 /nfs/dbraw/zinc/65/90/28/794659028.db2.gz MKVFWTJNUXJIFP-VHSXEESVSA-N 1 0 341.368 -2.774 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)C1=O ZINC001278178967 794659018 /nfs/dbraw/zinc/65/90/18/794659018.db2.gz MKVFWTJNUXJIFP-ZJUUUORDSA-N 1 0 341.368 -2.774 20 0 EAADRO CC1CC(C[NH2+][C@@H](CO)CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001278179034 794658380 /nfs/dbraw/zinc/65/83/80/794658380.db2.gz NNWNTUMCXVOBMQ-HTAVTVPLSA-N 1 0 326.397 -1.007 20 0 EAADRO CC1CC(C[NH2+][C@H](CO)CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001278179035 794658720 /nfs/dbraw/zinc/65/87/20/794658720.db2.gz NNWNTUMCXVOBMQ-MCIGGMRASA-N 1 0 326.397 -1.007 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001278179196 794659178 /nfs/dbraw/zinc/65/91/78/794659178.db2.gz OLKILVQOGMEFGR-HTQZYQBOSA-N 1 0 342.318 -1.744 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001278179230 794658350 /nfs/dbraw/zinc/65/83/50/794658350.db2.gz OLKILVQOGMEFGR-JGVFFNPUSA-N 1 0 342.318 -1.744 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001278179231 794659129 /nfs/dbraw/zinc/65/91/29/794659129.db2.gz OLKILVQOGMEFGR-SFYZADRCSA-N 1 0 342.318 -1.744 20 0 EAADRO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001278179233 794659116 /nfs/dbraw/zinc/65/91/16/794659116.db2.gz OLKILVQOGMEFGR-YUMQZZPRSA-N 1 0 342.318 -1.744 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001278179334 794658569 /nfs/dbraw/zinc/65/85/69/794658569.db2.gz PRMVGEIZHZDIQQ-JTQLQIEISA-N 1 0 343.384 -2.528 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001278179335 794658925 /nfs/dbraw/zinc/65/89/25/794658925.db2.gz PRMVGEIZHZDIQQ-SNVBAGLBSA-N 1 0 343.384 -2.528 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001278179828 794659111 /nfs/dbraw/zinc/65/91/11/794659111.db2.gz VINCGAJRSBAZPF-JTQLQIEISA-N 1 0 343.384 -2.575 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001278179831 794658881 /nfs/dbraw/zinc/65/88/81/794658881.db2.gz VINCGAJRSBAZPF-SNVBAGLBSA-N 1 0 343.384 -2.575 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)C(=O)NCC2CC2)n1 ZINC001278179836 794658493 /nfs/dbraw/zinc/65/84/93/794658493.db2.gz VKHVPLWWKLARCD-CYBMUJFWSA-N 1 0 338.412 -1.512 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)C(=O)NCC2CC2)n1 ZINC001278179838 794658791 /nfs/dbraw/zinc/65/87/91/794658791.db2.gz VKHVPLWWKLARCD-ZDUSSCGKSA-N 1 0 338.412 -1.512 20 0 EAADRO O=C(CCCn1cncn1)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278179847 794658276 /nfs/dbraw/zinc/65/82/76/794658276.db2.gz VNIHYWBHNRUIGM-GHMZBOCLSA-N 1 0 338.368 -2.070 20 0 EAADRO O=C(CCCn1cncn1)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278179849 794658481 /nfs/dbraw/zinc/65/84/81/794658481.db2.gz VNIHYWBHNRUIGM-MNOVXSKESA-N 1 0 338.368 -2.070 20 0 EAADRO O=C(CCCn1cncn1)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278179850 794658069 /nfs/dbraw/zinc/65/80/69/794658069.db2.gz VNIHYWBHNRUIGM-QWRGUYRKSA-N 1 0 338.368 -2.070 20 0 EAADRO O=C(CCCn1cncn1)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278179852 794658862 /nfs/dbraw/zinc/65/88/62/794658862.db2.gz VNIHYWBHNRUIGM-WDEREUQCSA-N 1 0 338.368 -2.070 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1=O ZINC001278179926 794658619 /nfs/dbraw/zinc/65/86/19/794658619.db2.gz WPOMHBRHTZSVIQ-LLVKDONJSA-N 1 0 338.368 -2.156 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1=O ZINC001278179927 794659006 /nfs/dbraw/zinc/65/90/06/794659006.db2.gz WPOMHBRHTZSVIQ-NSHDSACASA-N 1 0 338.368 -2.156 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001278180259 794659101 /nfs/dbraw/zinc/65/91/01/794659101.db2.gz ZZXNDJBTGDNGNJ-LLVKDONJSA-N 1 0 344.437 -1.267 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001278180261 794658189 /nfs/dbraw/zinc/65/81/89/794658189.db2.gz ZZXNDJBTGDNGNJ-NSHDSACASA-N 1 0 344.437 -1.267 20 0 EAADRO CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C2(C(=O)NC)CCC2)C1=O ZINC001278186215 794658295 /nfs/dbraw/zinc/65/82/95/794658295.db2.gz AGAZBOQVGWPSBO-NEPJUHHUSA-N 1 0 340.424 -1.410 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C2(C(=O)NC)CCC2)C1=O ZINC001278186217 794659056 /nfs/dbraw/zinc/65/90/56/794659056.db2.gz AGAZBOQVGWPSBO-NWDGAFQWSA-N 1 0 340.424 -1.410 20 0 EAADRO CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C2(C(=O)NC)CCC2)C1=O ZINC001278186218 794658132 /nfs/dbraw/zinc/65/81/32/794658132.db2.gz AGAZBOQVGWPSBO-RYUDHWBXSA-N 1 0 340.424 -1.410 20 0 EAADRO CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C2(C(=O)NC)CCC2)C1=O ZINC001278186220 794659135 /nfs/dbraw/zinc/65/91/35/794659135.db2.gz AGAZBOQVGWPSBO-VXGBXAGGSA-N 1 0 340.424 -1.410 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCNC1=O)c1ccc2c(c1)C(=O)NC2=O ZINC001278186586 794659879 /nfs/dbraw/zinc/65/98/79/794659879.db2.gz HGKJYTRQECIFFU-BXKDBHETSA-N 1 0 346.343 -1.861 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCNC1=O)c1ccc2c(c1)C(=O)NC2=O ZINC001278186590 794660406 /nfs/dbraw/zinc/66/04/06/794660406.db2.gz HGKJYTRQECIFFU-CABZTGNLSA-N 1 0 346.343 -1.861 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O)c1ccc2c(c1)C(=O)NC2=O ZINC001278186592 794660069 /nfs/dbraw/zinc/66/00/69/794660069.db2.gz HGKJYTRQECIFFU-JOYOIKCWSA-N 1 0 346.343 -1.861 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCNC1=O)c1ccc2c(c1)C(=O)NC2=O ZINC001278186594 794660075 /nfs/dbraw/zinc/66/00/75/794660075.db2.gz HGKJYTRQECIFFU-SKDRFNHKSA-N 1 0 346.343 -1.861 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC2CC2)CCC1 ZINC001278186620 794660345 /nfs/dbraw/zinc/66/03/45/794660345.db2.gz HRBNLNCDBHTWEC-CMPLNLGQSA-N 1 0 340.424 -1.364 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC2CC2)CCC1 ZINC001278186623 794660088 /nfs/dbraw/zinc/66/00/88/794660088.db2.gz HRBNLNCDBHTWEC-JQWIXIFHSA-N 1 0 340.424 -1.364 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC2CC2)CCC1 ZINC001278186625 794660552 /nfs/dbraw/zinc/66/05/52/794660552.db2.gz HRBNLNCDBHTWEC-PWSUYJOCSA-N 1 0 340.424 -1.364 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC2CC2)CCC1 ZINC001278186627 794660137 /nfs/dbraw/zinc/66/01/37/794660137.db2.gz HRBNLNCDBHTWEC-ZYHUDNBSSA-N 1 0 340.424 -1.364 20 0 EAADRO Cn1nnc2ccc(C(=O)NC[C@H](CO)[NH2+]CCn3cncn3)cc21 ZINC001278186775 794659719 /nfs/dbraw/zinc/65/97/19/794659719.db2.gz JGFZEAWURAUUFO-GFCCVEGCSA-N 1 0 344.379 -1.060 20 0 EAADRO Cn1nnc2ccc(C(=O)NC[C@@H](CO)[NH2+]CCn3cncn3)cc21 ZINC001278186776 794660308 /nfs/dbraw/zinc/66/03/08/794660308.db2.gz JGFZEAWURAUUFO-LBPRGKRZSA-N 1 0 344.379 -1.060 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+]CCN2CCNC2=O)CCC1 ZINC001278187517 794660479 /nfs/dbraw/zinc/66/04/79/794660479.db2.gz RXPXLNZKPBYHAM-LLVKDONJSA-N 1 0 341.412 -2.005 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]CCN2CCNC2=O)CCC1 ZINC001278187518 794659850 /nfs/dbraw/zinc/65/98/50/794659850.db2.gz RXPXLNZKPBYHAM-NSHDSACASA-N 1 0 341.412 -2.005 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001278187539 794660123 /nfs/dbraw/zinc/66/01/23/794660123.db2.gz SGAVOHIXXQGYIF-CHWSQXEVSA-N 1 0 340.424 -1.410 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001278187540 794659893 /nfs/dbraw/zinc/65/98/93/794659893.db2.gz SGAVOHIXXQGYIF-OLZOCXBDSA-N 1 0 340.424 -1.410 20 0 EAADRO CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001278187541 794660095 /nfs/dbraw/zinc/66/00/95/794660095.db2.gz SGAVOHIXXQGYIF-QWHCGFSZSA-N 1 0 340.424 -1.410 20 0 EAADRO CN1C(=O)CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001278187542 794659732 /nfs/dbraw/zinc/65/97/32/794659732.db2.gz SGAVOHIXXQGYIF-STQMWFEESA-N 1 0 340.424 -1.410 20 0 EAADRO Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001278187811 794659822 /nfs/dbraw/zinc/65/98/22/794659822.db2.gz YMNUCJKMJYTLCF-MNOVXSKESA-N 1 0 325.369 -1.344 20 0 EAADRO Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001278187812 794659657 /nfs/dbraw/zinc/65/96/57/794659657.db2.gz YMNUCJKMJYTLCF-QWRGUYRKSA-N 1 0 325.369 -1.344 20 0 EAADRO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CN2C(=O)CNC2=O)sn1 ZINC001278193657 794660508 /nfs/dbraw/zinc/66/05/08/794660508.db2.gz ASIDMLIIHSQZSC-SECBINFHSA-N 1 0 341.393 -1.430 20 0 EAADRO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CN2C(=O)CNC2=O)sn1 ZINC001278193658 794659919 /nfs/dbraw/zinc/65/99/19/794659919.db2.gz ASIDMLIIHSQZSC-VIFPVBQESA-N 1 0 341.393 -1.430 20 0 EAADRO Cc1noc(C)c1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278193773 794660188 /nfs/dbraw/zinc/66/01/88/794660188.db2.gz CTQHREJZYQCRLQ-CMPLNLGQSA-N 1 0 338.364 -1.294 20 0 EAADRO Cc1noc(C)c1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278193774 794660378 /nfs/dbraw/zinc/66/03/78/794660378.db2.gz CTQHREJZYQCRLQ-JQWIXIFHSA-N 1 0 338.364 -1.294 20 0 EAADRO Cc1noc(C)c1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278193775 794660701 /nfs/dbraw/zinc/66/07/01/794660701.db2.gz CTQHREJZYQCRLQ-PWSUYJOCSA-N 1 0 338.364 -1.294 20 0 EAADRO Cc1noc(C)c1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278193776 794660584 /nfs/dbraw/zinc/66/05/84/794660584.db2.gz CTQHREJZYQCRLQ-ZYHUDNBSSA-N 1 0 338.364 -1.294 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001278193827 794659670 /nfs/dbraw/zinc/65/96/70/794659670.db2.gz DXTVCFATIYGEJV-LLVKDONJSA-N 1 0 340.380 -2.176 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001278193828 794659612 /nfs/dbraw/zinc/65/96/12/794659612.db2.gz DXTVCFATIYGEJV-NSHDSACASA-N 1 0 340.380 -2.176 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001278193990 794660253 /nfs/dbraw/zinc/66/02/53/794660253.db2.gz FSOVHKHUYDESFY-NEPJUHHUSA-N 1 0 335.364 -1.364 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001278193992 794660163 /nfs/dbraw/zinc/66/01/63/794660163.db2.gz FSOVHKHUYDESFY-NWDGAFQWSA-N 1 0 335.364 -1.364 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001278193994 794660612 /nfs/dbraw/zinc/66/06/12/794660612.db2.gz FSOVHKHUYDESFY-RYUDHWBXSA-N 1 0 335.364 -1.364 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001278193996 794660645 /nfs/dbraw/zinc/66/06/45/794660645.db2.gz FSOVHKHUYDESFY-VXGBXAGGSA-N 1 0 335.364 -1.364 20 0 EAADRO Cc1nccn1CC(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278194247 794660277 /nfs/dbraw/zinc/66/02/77/794660277.db2.gz HGHQEWBXENPAGD-GFCCVEGCSA-N 1 0 337.380 -1.593 20 0 EAADRO Cc1nccn1CC(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278194248 794660536 /nfs/dbraw/zinc/66/05/36/794660536.db2.gz HGHQEWBXENPAGD-LBPRGKRZSA-N 1 0 337.380 -1.593 20 0 EAADRO CC(C)OCC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001278194590 794660606 /nfs/dbraw/zinc/66/06/06/794660606.db2.gz JUOPLCMVHCFBIM-JTQLQIEISA-N 1 0 328.369 -1.409 20 0 EAADRO CC(C)OCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001278194592 794659745 /nfs/dbraw/zinc/65/97/45/794659745.db2.gz JUOPLCMVHCFBIM-SNVBAGLBSA-N 1 0 328.369 -1.409 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001278194787 794660206 /nfs/dbraw/zinc/66/02/06/794660206.db2.gz LOZVQUCYMSLKHF-SECBINFHSA-N 1 0 329.357 -2.965 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001278194789 794660634 /nfs/dbraw/zinc/66/06/34/794660634.db2.gz LOZVQUCYMSLKHF-VIFPVBQESA-N 1 0 329.357 -2.965 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@H](CO)[NH2+]Cc1cncc(F)c1 ZINC001278194851 794660101 /nfs/dbraw/zinc/66/01/01/794660101.db2.gz MKFFNFUGWHBXBA-LLVKDONJSA-N 1 0 339.327 -1.661 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H](CO)[NH2+]Cc1cncc(F)c1 ZINC001278194852 794659863 /nfs/dbraw/zinc/65/98/63/794659863.db2.gz MKFFNFUGWHBXBA-NSHDSACASA-N 1 0 339.327 -1.661 20 0 EAADRO Cc1cc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)c(C)n1C ZINC001278194860 794660130 /nfs/dbraw/zinc/66/01/30/794660130.db2.gz MNPVCCHDZKXWJE-GFCCVEGCSA-N 1 0 346.453 -1.129 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)c(C)n1C ZINC001278194861 794660443 /nfs/dbraw/zinc/66/04/43/794660443.db2.gz MNPVCCHDZKXWJE-LBPRGKRZSA-N 1 0 346.453 -1.129 20 0 EAADRO O=C(C[C@H]1CCCOC1)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278194863 794660418 /nfs/dbraw/zinc/66/04/18/794660418.db2.gz MOPRLRIWNVOMSU-NEPJUHHUSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(C[C@@H]1CCCOC1)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278194869 794659961 /nfs/dbraw/zinc/65/99/61/794659961.db2.gz MOPRLRIWNVOMSU-NWDGAFQWSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(C[C@@H]1CCCOC1)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278194871 794660655 /nfs/dbraw/zinc/66/06/55/794660655.db2.gz MOPRLRIWNVOMSU-RYUDHWBXSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(C[C@H]1CCCOC1)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001278194873 794660516 /nfs/dbraw/zinc/66/05/16/794660516.db2.gz MOPRLRIWNVOMSU-VXGBXAGGSA-N 1 0 342.396 -1.578 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@H](CO)[NH2+]Cc2cncs2)C1=O ZINC001278194892 794659832 /nfs/dbraw/zinc/65/98/32/794659832.db2.gz MVJLKBOXLHCFOV-SECBINFHSA-N 1 0 341.393 -1.396 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@@H](CO)[NH2+]Cc2cncs2)C1=O ZINC001278194893 794660326 /nfs/dbraw/zinc/66/03/26/794660326.db2.gz MVJLKBOXLHCFOV-VIFPVBQESA-N 1 0 341.393 -1.396 20 0 EAADRO Cc1ncccc1C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001278195035 794660246 /nfs/dbraw/zinc/66/02/46/794660246.db2.gz NZBPFKTYQJCUEK-CYBMUJFWSA-N 1 0 349.391 -1.149 20 0 EAADRO Cc1ncccc1C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001278195036 794660145 /nfs/dbraw/zinc/66/01/45/794660145.db2.gz NZBPFKTYQJCUEK-ZDUSSCGKSA-N 1 0 349.391 -1.149 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001278195456 794660693 /nfs/dbraw/zinc/66/06/93/794660693.db2.gz SQOSXAIRGISWII-NEPJUHHUSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001278195457 794659807 /nfs/dbraw/zinc/65/98/07/794659807.db2.gz SQOSXAIRGISWII-NWDGAFQWSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001278195459 794660055 /nfs/dbraw/zinc/66/00/55/794660055.db2.gz SQOSXAIRGISWII-RYUDHWBXSA-N 1 0 327.381 -1.371 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NC[C@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001278195460 794661905 /nfs/dbraw/zinc/66/19/05/794661905.db2.gz SQOSXAIRGISWII-VXGBXAGGSA-N 1 0 327.381 -1.371 20 0 EAADRO CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001278195999 794662040 /nfs/dbraw/zinc/66/20/40/794662040.db2.gz WZAWRVMHEKHWCJ-SECBINFHSA-N 1 0 341.368 -2.774 20 0 EAADRO CN(C(=O)C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001278196000 794662246 /nfs/dbraw/zinc/66/22/46/794662246.db2.gz WZAWRVMHEKHWCJ-VIFPVBQESA-N 1 0 341.368 -2.774 20 0 EAADRO CC(C)=CC[NH2+][C@@H](CO)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001278196456 794661369 /nfs/dbraw/zinc/66/13/69/794661369.db2.gz YWAWXZQZTKWGNC-CYBMUJFWSA-N 1 0 333.454 -1.250 20 0 EAADRO CC(C)=CC[NH2+][C@H](CO)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001278196483 794661729 /nfs/dbraw/zinc/66/17/29/794661729.db2.gz YWAWXZQZTKWGNC-ZDUSSCGKSA-N 1 0 333.454 -1.250 20 0 EAADRO Cc1ccc(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001278196491 794661661 /nfs/dbraw/zinc/66/16/61/794661661.db2.gz ZAYOZBZYFPOJQE-CHWSQXEVSA-N 1 0 334.376 -1.196 20 0 EAADRO Cc1ccc(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001278196492 794662201 /nfs/dbraw/zinc/66/22/01/794662201.db2.gz ZAYOZBZYFPOJQE-OLZOCXBDSA-N 1 0 334.376 -1.196 20 0 EAADRO Cc1ccc(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001278196493 794662106 /nfs/dbraw/zinc/66/21/06/794662106.db2.gz ZAYOZBZYFPOJQE-QWHCGFSZSA-N 1 0 334.376 -1.196 20 0 EAADRO Cc1ccc(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001278196494 794662013 /nfs/dbraw/zinc/66/20/13/794662013.db2.gz ZAYOZBZYFPOJQE-STQMWFEESA-N 1 0 334.376 -1.196 20 0 EAADRO Cc1ccc(CC(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001278196600 794662222 /nfs/dbraw/zinc/66/22/22/794662222.db2.gz ZXWMAVGGZVQPLO-CYBMUJFWSA-N 1 0 349.391 -1.449 20 0 EAADRO Cc1ccc(CC(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001278196606 794662174 /nfs/dbraw/zinc/66/21/74/794662174.db2.gz ZXWMAVGGZVQPLO-ZDUSSCGKSA-N 1 0 349.391 -1.449 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@H](CO)[NH2+]CC2=CCCCC2)nn1 ZINC001278201211 794661170 /nfs/dbraw/zinc/66/11/70/794661170.db2.gz BWKDQYVMJVCZNC-GFCCVEGCSA-N 1 0 336.396 -1.056 20 0 EAADRO NC(=O)Cn1cc(C(=O)NC[C@@H](CO)[NH2+]CC2=CCCCC2)nn1 ZINC001278201212 794661973 /nfs/dbraw/zinc/66/19/73/794661973.db2.gz BWKDQYVMJVCZNC-LBPRGKRZSA-N 1 0 336.396 -1.056 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001278201333 794661912 /nfs/dbraw/zinc/66/19/12/794661912.db2.gz FECODTRWGCXGCO-IIEFLBBWSA-N 1 0 345.465 -1.106 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001278201334 794662129 /nfs/dbraw/zinc/66/21/29/794662129.db2.gz FECODTRWGCXGCO-QQOHENMQSA-N 1 0 345.465 -1.106 20 0 EAADRO Cc1nccc(C(=O)NC[C@H](CO)[NH2+]CCCS(C)(=O)=O)n1 ZINC001278201999 794661937 /nfs/dbraw/zinc/66/19/37/794661937.db2.gz NADSGYYNCPBDKE-LLVKDONJSA-N 1 0 330.410 -1.100 20 0 EAADRO Cc1nccc(C(=O)NC[C@@H](CO)[NH2+]CCCS(C)(=O)=O)n1 ZINC001278202000 794661743 /nfs/dbraw/zinc/66/17/43/794661743.db2.gz NADSGYYNCPBDKE-NSHDSACASA-N 1 0 330.410 -1.100 20 0 EAADRO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)C[NH+](CCCCF)C2 ZINC001278206761 794662116 /nfs/dbraw/zinc/66/21/16/794662116.db2.gz ISAXFXOIVNVNOY-HXNLIRTISA-N 1 0 348.371 -2.320 20 0 EAADRO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)C[NH+](CCCCF)C2 ZINC001278206763 794662085 /nfs/dbraw/zinc/66/20/85/794662085.db2.gz ISAXFXOIVNVNOY-ILOGHGLZSA-N 1 0 348.371 -2.320 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001278210571 794662261 /nfs/dbraw/zinc/66/22/61/794662261.db2.gz AKWVJFVOTJAONA-NXEZZACHSA-N 1 0 341.368 -2.869 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001278210572 794662136 /nfs/dbraw/zinc/66/21/36/794662136.db2.gz AKWVJFVOTJAONA-UWVGGRQHSA-N 1 0 341.368 -2.869 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001278210573 794662028 /nfs/dbraw/zinc/66/20/28/794662028.db2.gz AKWVJFVOTJAONA-VHSXEESVSA-N 1 0 341.368 -2.869 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001278210574 794662189 /nfs/dbraw/zinc/66/21/89/794662189.db2.gz AKWVJFVOTJAONA-ZJUUUORDSA-N 1 0 341.368 -2.869 20 0 EAADRO CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001278210651 794661886 /nfs/dbraw/zinc/66/18/86/794661886.db2.gz BVGOBCCKJMGXKD-NXEZZACHSA-N 1 0 340.380 -2.273 20 0 EAADRO CN(C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001278210653 794662099 /nfs/dbraw/zinc/66/20/99/794662099.db2.gz BVGOBCCKJMGXKD-UWVGGRQHSA-N 1 0 340.380 -2.273 20 0 EAADRO CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001278210654 794661162 /nfs/dbraw/zinc/66/11/62/794661162.db2.gz BVGOBCCKJMGXKD-VHSXEESVSA-N 1 0 340.380 -2.273 20 0 EAADRO CN(C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001278210656 794662216 /nfs/dbraw/zinc/66/22/16/794662216.db2.gz BVGOBCCKJMGXKD-ZJUUUORDSA-N 1 0 340.380 -2.273 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c1C1CC1 ZINC001278210875 794661483 /nfs/dbraw/zinc/66/14/83/794661483.db2.gz CEIKVCJGFUZCHN-CMPLNLGQSA-N 1 0 349.391 -1.217 20 0 EAADRO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c1C1CC1 ZINC001278210877 794662064 /nfs/dbraw/zinc/66/20/64/794662064.db2.gz CEIKVCJGFUZCHN-JQWIXIFHSA-N 1 0 349.391 -1.217 20 0 EAADRO Cn1ncc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c1C1CC1 ZINC001278210879 794661978 /nfs/dbraw/zinc/66/19/78/794661978.db2.gz CEIKVCJGFUZCHN-PWSUYJOCSA-N 1 0 349.391 -1.217 20 0 EAADRO Cn1ncc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c1C1CC1 ZINC001278210881 794662195 /nfs/dbraw/zinc/66/21/95/794662195.db2.gz CEIKVCJGFUZCHN-ZYHUDNBSSA-N 1 0 349.391 -1.217 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001278210941 794661832 /nfs/dbraw/zinc/66/18/32/794661832.db2.gz CMSNEAIXKKIZRB-GXSJLCMTSA-N 1 0 325.369 -1.747 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001278210943 794661385 /nfs/dbraw/zinc/66/13/85/794661385.db2.gz CMSNEAIXKKIZRB-KOLCDFICSA-N 1 0 325.369 -1.747 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001278210944 794662072 /nfs/dbraw/zinc/66/20/72/794662072.db2.gz CMSNEAIXKKIZRB-MWLCHTKSSA-N 1 0 325.369 -1.747 20 0 EAADRO CC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001278210946 794661963 /nfs/dbraw/zinc/66/19/63/794661963.db2.gz CMSNEAIXKKIZRB-ONGXEEELSA-N 1 0 325.369 -1.747 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1C ZINC001278214508 794662226 /nfs/dbraw/zinc/66/22/26/794662226.db2.gz VLPBSMLDHWULKY-CMPLNLGQSA-N 1 0 335.364 -1.032 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1C ZINC001278214509 794661839 /nfs/dbraw/zinc/66/18/39/794661839.db2.gz VLPBSMLDHWULKY-PWSUYJOCSA-N 1 0 335.364 -1.032 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1C ZINC001278214510 794661988 /nfs/dbraw/zinc/66/19/88/794661988.db2.gz VLPBSMLDHWULKY-ZYHUDNBSSA-N 1 0 335.364 -1.032 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1=O ZINC001278221337 794663195 /nfs/dbraw/zinc/66/31/95/794663195.db2.gz PEHBEYSZPSIMND-NEPJUHHUSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1=O ZINC001278221338 794662810 /nfs/dbraw/zinc/66/28/10/794662810.db2.gz PEHBEYSZPSIMND-NWDGAFQWSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1=O ZINC001278221339 794663387 /nfs/dbraw/zinc/66/33/87/794663387.db2.gz PEHBEYSZPSIMND-VXGBXAGGSA-N 1 0 346.453 -1.263 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)Cn1cnnn1 ZINC001278221660 794663427 /nfs/dbraw/zinc/66/34/27/794663427.db2.gz SNFKWPDQUQPPAT-GHMZBOCLSA-N 1 0 330.414 -1.313 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)Cn1cnnn1 ZINC001278221661 794663350 /nfs/dbraw/zinc/66/33/50/794663350.db2.gz SNFKWPDQUQPPAT-MNOVXSKESA-N 1 0 330.414 -1.313 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)Cn1cnnn1 ZINC001278221662 794663254 /nfs/dbraw/zinc/66/32/54/794663254.db2.gz SNFKWPDQUQPPAT-WDEREUQCSA-N 1 0 330.414 -1.313 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)CC(N)=O ZINC001278234584 794662610 /nfs/dbraw/zinc/66/26/10/794662610.db2.gz QCYOFJIUAMKALE-NXEZZACHSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)CC(N)=O ZINC001278234585 794663125 /nfs/dbraw/zinc/66/31/25/794663125.db2.gz QCYOFJIUAMKALE-VHSXEESVSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)CC(N)=O ZINC001278234586 794663093 /nfs/dbraw/zinc/66/30/93/794663093.db2.gz QCYOFJIUAMKALE-ZJUUUORDSA-N 1 0 325.369 -1.617 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1ncnn1 ZINC001278252435 794663130 /nfs/dbraw/zinc/66/31/30/794663130.db2.gz VSXLKUDLPZBLEA-NXEZZACHSA-N 1 0 331.402 -2.199 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1ncnn1 ZINC001278252436 794662629 /nfs/dbraw/zinc/66/26/29/794662629.db2.gz VSXLKUDLPZBLEA-VHSXEESVSA-N 1 0 331.402 -2.199 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cn1ncnn1 ZINC001278252439 794663501 /nfs/dbraw/zinc/66/35/01/794663501.db2.gz VSXLKUDLPZBLEA-ZJUUUORDSA-N 1 0 331.402 -2.199 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001278262681 794664801 /nfs/dbraw/zinc/66/48/01/794664801.db2.gz DPOZGPYEYUVZRN-NXEZZACHSA-N 1 0 335.430 -1.956 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001278262685 794664808 /nfs/dbraw/zinc/66/48/08/794664808.db2.gz DPOZGPYEYUVZRN-VHSXEESVSA-N 1 0 335.430 -1.956 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001278262687 794664364 /nfs/dbraw/zinc/66/43/64/794664364.db2.gz DPOZGPYEYUVZRN-ZJUUUORDSA-N 1 0 335.430 -1.956 20 0 EAADRO CNC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278272311 794664187 /nfs/dbraw/zinc/66/41/87/794664187.db2.gz ZMZJXQWLXYOEIB-RYUDHWBXSA-N 1 0 337.424 -1.074 20 0 EAADRO CNC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278272313 794664648 /nfs/dbraw/zinc/66/46/48/794664648.db2.gz ZMZJXQWLXYOEIB-VXGBXAGGSA-N 1 0 337.424 -1.074 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001278275843 794664766 /nfs/dbraw/zinc/66/47/66/794664766.db2.gz YHRCALATGPAASX-NKWVEPMBSA-N 1 0 335.311 -1.858 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001278275849 794664777 /nfs/dbraw/zinc/66/47/77/794664777.db2.gz YHRCALATGPAASX-RNFRBKRXSA-N 1 0 335.311 -1.858 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001278275853 794664573 /nfs/dbraw/zinc/66/45/73/794664573.db2.gz YHRCALATGPAASX-RQJHMYQMSA-N 1 0 335.311 -1.858 20 0 EAADRO C[C@H]([NH2+]C[C@@H](NC(=O)CN1C(=O)CNC1=O)C1CCCC1)C(N)=O ZINC001278288619 794666963 /nfs/dbraw/zinc/66/69/63/794666963.db2.gz IFIDWPDJNFMEBY-GXSJLCMTSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]([NH2+]C[C@H](NC(=O)CN1C(=O)CNC1=O)C1CCCC1)C(N)=O ZINC001278288621 794667611 /nfs/dbraw/zinc/66/76/11/794667611.db2.gz IFIDWPDJNFMEBY-KOLCDFICSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](NC(=O)CN1C(=O)CNC1=O)C1CCCC1)C(N)=O ZINC001278288623 794666803 /nfs/dbraw/zinc/66/68/03/794666803.db2.gz IFIDWPDJNFMEBY-MWLCHTKSSA-N 1 0 339.396 -1.323 20 0 EAADRO C[C@H]([NH2+]C[C@H](NC(=O)CN1C(=O)CNC1=O)C1CCCC1)C(N)=O ZINC001278288625 794666710 /nfs/dbraw/zinc/66/67/10/794666710.db2.gz IFIDWPDJNFMEBY-ONGXEEELSA-N 1 0 339.396 -1.323 20 0 EAADRO CCOCC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]1C ZINC001278300288 794666905 /nfs/dbraw/zinc/66/69/05/794666905.db2.gz GSESUKKRBCMCAF-NEPJUHHUSA-N 1 0 336.458 -1.002 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001278300291 794667011 /nfs/dbraw/zinc/66/70/11/794667011.db2.gz GSESUKKRBCMCAF-NWDGAFQWSA-N 1 0 336.458 -1.002 20 0 EAADRO CCOCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]1C ZINC001278300295 794667602 /nfs/dbraw/zinc/66/76/02/794667602.db2.gz GSESUKKRBCMCAF-VXGBXAGGSA-N 1 0 336.458 -1.002 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cnn(C)n1 ZINC001278300853 794667106 /nfs/dbraw/zinc/66/71/06/794667106.db2.gz JGHAKKQIFNMARZ-NXEZZACHSA-N 1 0 330.414 -1.443 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cnn(C)n1 ZINC001278300854 794667480 /nfs/dbraw/zinc/66/74/80/794667480.db2.gz JGHAKKQIFNMARZ-VHSXEESVSA-N 1 0 330.414 -1.443 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cnn(C)n1 ZINC001278300855 794667086 /nfs/dbraw/zinc/66/70/86/794667086.db2.gz JGHAKKQIFNMARZ-ZJUUUORDSA-N 1 0 330.414 -1.443 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001278314225 794667414 /nfs/dbraw/zinc/66/74/14/794667414.db2.gz CHOVPNOTDGWOME-GHMZBOCLSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001278314228 794667258 /nfs/dbraw/zinc/66/72/58/794667258.db2.gz CHOVPNOTDGWOME-MNOVXSKESA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001278314230 794666874 /nfs/dbraw/zinc/66/68/74/794666874.db2.gz CHOVPNOTDGWOME-WDEREUQCSA-N 1 0 339.396 -1.452 20 0 EAADRO C[C@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001278315372 794668597 /nfs/dbraw/zinc/66/85/97/794668597.db2.gz KXLFDELOHKFXGL-GXSJLCMTSA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001278315373 794668875 /nfs/dbraw/zinc/66/88/75/794668875.db2.gz KXLFDELOHKFXGL-KOLCDFICSA-N 1 0 337.380 -1.604 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001278315374 794667970 /nfs/dbraw/zinc/66/79/70/794667970.db2.gz KXLFDELOHKFXGL-MWLCHTKSSA-N 1 0 337.380 -1.604 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001278324119 794668117 /nfs/dbraw/zinc/66/81/17/794668117.db2.gz CYNVGIQSXVMBSV-GHMZBOCLSA-N 1 0 349.457 -1.437 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001278324120 794668527 /nfs/dbraw/zinc/66/85/27/794668527.db2.gz CYNVGIQSXVMBSV-MNOVXSKESA-N 1 0 349.457 -1.437 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001278324121 794668864 /nfs/dbraw/zinc/66/88/64/794668864.db2.gz CYNVGIQSXVMBSV-WDEREUQCSA-N 1 0 349.457 -1.437 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001278326203 794668812 /nfs/dbraw/zinc/66/88/12/794668812.db2.gz OJDIAWXHHFVMQE-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001278326204 794668536 /nfs/dbraw/zinc/66/85/36/794668536.db2.gz OJDIAWXHHFVMQE-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H]1C ZINC001278326205 794668501 /nfs/dbraw/zinc/66/85/01/794668501.db2.gz OJDIAWXHHFVMQE-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO CCOCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001278326834 794668841 /nfs/dbraw/zinc/66/88/41/794668841.db2.gz WEIOEYHQHLVOSP-GHMZBOCLSA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001278326835 794668922 /nfs/dbraw/zinc/66/89/22/794668922.db2.gz WEIOEYHQHLVOSP-MNOVXSKESA-N 1 0 330.385 -1.187 20 0 EAADRO CCOCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001278326836 794668010 /nfs/dbraw/zinc/66/80/10/794668010.db2.gz WEIOEYHQHLVOSP-WDEREUQCSA-N 1 0 330.385 -1.187 20 0 EAADRO O=C(NCC(F)F)C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001278341799 794668917 /nfs/dbraw/zinc/66/89/17/794668917.db2.gz NHMCRULZRZTYFK-GFCCVEGCSA-N 1 0 348.394 -1.031 20 0 EAADRO O=C(NCC(F)F)C(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001278341800 794668716 /nfs/dbraw/zinc/66/87/16/794668716.db2.gz NHMCRULZRZTYFK-LBPRGKRZSA-N 1 0 348.394 -1.031 20 0 EAADRO CCOCCC(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001278355063 794668639 /nfs/dbraw/zinc/66/86/39/794668639.db2.gz JDEGPHFFWQMQMG-CHWSQXEVSA-N 1 0 340.424 -1.050 20 0 EAADRO CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001278355064 794668751 /nfs/dbraw/zinc/66/87/51/794668751.db2.gz JDEGPHFFWQMQMG-OLZOCXBDSA-N 1 0 340.424 -1.050 20 0 EAADRO CCOCCC(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@@H]1C ZINC001278355065 794668577 /nfs/dbraw/zinc/66/85/77/794668577.db2.gz JDEGPHFFWQMQMG-QWHCGFSZSA-N 1 0 340.424 -1.050 20 0 EAADRO CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@@H]1C ZINC001278355066 794668880 /nfs/dbraw/zinc/66/88/80/794668880.db2.gz JDEGPHFFWQMQMG-STQMWFEESA-N 1 0 340.424 -1.050 20 0 EAADRO CC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278356632 794668251 /nfs/dbraw/zinc/66/82/51/794668251.db2.gz LSAUUIYHAUJHQY-HNNXBMFYSA-N 1 0 339.396 -1.355 20 0 EAADRO CC(=O)NCC(=O)N[C@]1(C)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278356633 794668123 /nfs/dbraw/zinc/66/81/23/794668123.db2.gz LSAUUIYHAUJHQY-OAHLLOKOSA-N 1 0 339.396 -1.355 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC001278364157 794667950 /nfs/dbraw/zinc/66/79/50/794667950.db2.gz JTDLDRAEILMAOK-GHMZBOCLSA-N 1 0 344.441 -1.053 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC001278364158 794667894 /nfs/dbraw/zinc/66/78/94/794667894.db2.gz JTDLDRAEILMAOK-MNOVXSKESA-N 1 0 344.441 -1.053 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC001278364159 794668305 /nfs/dbraw/zinc/66/83/05/794668305.db2.gz JTDLDRAEILMAOK-QWRGUYRKSA-N 1 0 344.441 -1.053 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC001278364160 794667990 /nfs/dbraw/zinc/66/79/90/794667990.db2.gz JTDLDRAEILMAOK-WDEREUQCSA-N 1 0 344.441 -1.053 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCn1ccnn1 ZINC001278365397 794668553 /nfs/dbraw/zinc/66/85/53/794668553.db2.gz VAZHOEAFFFQKCV-NEPJUHHUSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCn1ccnn1 ZINC001278365398 794668217 /nfs/dbraw/zinc/66/82/17/794668217.db2.gz VAZHOEAFFFQKCV-NWDGAFQWSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCn1ccnn1 ZINC001278365399 794668624 /nfs/dbraw/zinc/66/86/24/794668624.db2.gz VAZHOEAFFFQKCV-RYUDHWBXSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCn1ccnn1 ZINC001278365400 794668107 /nfs/dbraw/zinc/66/81/07/794668107.db2.gz VAZHOEAFFFQKCV-VXGBXAGGSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@]1(NC(=O)CC(N)=O)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278374584 794668866 /nfs/dbraw/zinc/66/88/66/794668866.db2.gz HINNRDGJZXTATA-AWEZNQCLSA-N 1 0 325.369 -1.616 20 0 EAADRO C[C@@]1(NC(=O)CC(N)=O)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278374585 794668085 /nfs/dbraw/zinc/66/80/85/794668085.db2.gz HINNRDGJZXTATA-CQSZACIVSA-N 1 0 325.369 -1.616 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)CN(C)S(C)(=O)=O ZINC001278377977 794669680 /nfs/dbraw/zinc/66/96/80/794669680.db2.gz KARFFCKUJGUMMZ-NEPJUHHUSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)CN(C)S(C)(=O)=O ZINC001278377978 794669775 /nfs/dbraw/zinc/66/97/75/794669775.db2.gz KARFFCKUJGUMMZ-NWDGAFQWSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)CN(C)S(C)(=O)=O ZINC001278377979 794669269 /nfs/dbraw/zinc/66/92/69/794669269.db2.gz KARFFCKUJGUMMZ-RYUDHWBXSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)CN(C)S(C)(=O)=O ZINC001278377980 794670011 /nfs/dbraw/zinc/67/00/11/794670011.db2.gz KARFFCKUJGUMMZ-VXGBXAGGSA-N 1 0 337.442 -1.534 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C(=O)NCC(F)F ZINC001278383275 794670065 /nfs/dbraw/zinc/67/00/65/794670065.db2.gz DNJGGVTVWUOIGA-BQBZGAKWSA-N 1 0 335.311 -1.858 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C(=O)NCC(F)F ZINC001278383276 794669858 /nfs/dbraw/zinc/66/98/58/794669858.db2.gz DNJGGVTVWUOIGA-NKWVEPMBSA-N 1 0 335.311 -1.858 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C(=O)NCC(F)F ZINC001278383277 794669925 /nfs/dbraw/zinc/66/99/25/794669925.db2.gz DNJGGVTVWUOIGA-RNFRBKRXSA-N 1 0 335.311 -1.858 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C(=O)NCC(F)F ZINC001278383279 794669586 /nfs/dbraw/zinc/66/95/86/794669586.db2.gz DNJGGVTVWUOIGA-RQJHMYQMSA-N 1 0 335.311 -1.858 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cnc[nH]c1=O ZINC001278383286 794669399 /nfs/dbraw/zinc/66/93/99/794669399.db2.gz DQGPAMFQTBROBR-NXEZZACHSA-N 1 0 343.409 -1.076 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cnc[nH]c1=O ZINC001278383287 794670016 /nfs/dbraw/zinc/67/00/16/794670016.db2.gz DQGPAMFQTBROBR-UWVGGRQHSA-N 1 0 343.409 -1.076 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cnc[nH]c1=O ZINC001278383289 794669083 /nfs/dbraw/zinc/66/90/83/794669083.db2.gz DQGPAMFQTBROBR-VHSXEESVSA-N 1 0 343.409 -1.076 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cnc[nH]c1=O ZINC001278383291 794669799 /nfs/dbraw/zinc/66/97/99/794669799.db2.gz DQGPAMFQTBROBR-ZJUUUORDSA-N 1 0 343.409 -1.076 20 0 EAADRO COC[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001278405496 794670035 /nfs/dbraw/zinc/67/00/35/794670035.db2.gz OKDIBIYXIXDOND-BFVZDQMLSA-N 1 0 328.369 -1.828 20 0 EAADRO COC[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001278405498 794669965 /nfs/dbraw/zinc/66/99/65/794669965.db2.gz OKDIBIYXIXDOND-ISTVAULSSA-N 1 0 328.369 -1.828 20 0 EAADRO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001278405688 794669833 /nfs/dbraw/zinc/66/98/33/794669833.db2.gz PVEYBJYGWJLERL-AWEZNQCLSA-N 1 0 340.384 -1.952 20 0 EAADRO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001278405693 794669846 /nfs/dbraw/zinc/66/98/46/794669846.db2.gz PVEYBJYGWJLERL-CQSZACIVSA-N 1 0 340.384 -1.952 20 0 EAADRO C[C@]1(NC(=O)CN2CCOCC2=O)CC[N@H+](CCOCCO)C1 ZINC001278406152 794669122 /nfs/dbraw/zinc/66/91/22/794669122.db2.gz TVEFMNXTSVWUEQ-HNNXBMFYSA-N 1 0 329.397 -1.565 20 0 EAADRO C[C@@]1(NC(=O)CN2CCOCC2=O)CC[N@H+](CCOCCO)C1 ZINC001278406153 794669917 /nfs/dbraw/zinc/66/99/17/794669917.db2.gz TVEFMNXTSVWUEQ-OAHLLOKOSA-N 1 0 329.397 -1.565 20 0 EAADRO CC(=O)NCCOCC[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001278413645 794669942 /nfs/dbraw/zinc/66/99/42/794669942.db2.gz HNJBCPYDQMNMKO-AWEZNQCLSA-N 1 0 339.400 -1.443 20 0 EAADRO CC(=O)NCCOCC[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001278413646 794669493 /nfs/dbraw/zinc/66/94/93/794669493.db2.gz HNJBCPYDQMNMKO-CQSZACIVSA-N 1 0 339.400 -1.443 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cn1cncn1 ZINC001278416438 794669877 /nfs/dbraw/zinc/66/98/77/794669877.db2.gz NEBLQTBHAVDYSP-NEPJUHHUSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cn1cncn1 ZINC001278416444 794669173 /nfs/dbraw/zinc/66/91/73/794669173.db2.gz NEBLQTBHAVDYSP-NWDGAFQWSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cn1cncn1 ZINC001278416446 794669611 /nfs/dbraw/zinc/66/96/11/794669611.db2.gz NEBLQTBHAVDYSP-RYUDHWBXSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cn1cncn1 ZINC001278416448 794669098 /nfs/dbraw/zinc/66/90/98/794669098.db2.gz NEBLQTBHAVDYSP-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC001278417661 794669454 /nfs/dbraw/zinc/66/94/54/794669454.db2.gz VVJKFWJWMKBDET-GHMZBOCLSA-N 1 0 339.396 -1.405 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC001278417662 794669514 /nfs/dbraw/zinc/66/95/14/794669514.db2.gz VVJKFWJWMKBDET-MNOVXSKESA-N 1 0 339.396 -1.405 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC001278417663 794669685 /nfs/dbraw/zinc/66/96/85/794669685.db2.gz VVJKFWJWMKBDET-QWRGUYRKSA-N 1 0 339.396 -1.405 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC001278417664 794669751 /nfs/dbraw/zinc/66/97/51/794669751.db2.gz VVJKFWJWMKBDET-WDEREUQCSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001278424792 794671035 /nfs/dbraw/zinc/67/10/35/794671035.db2.gz WCXSELBLKIEOLR-GHMZBOCLSA-N 1 0 340.384 -2.035 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001278424793 794670738 /nfs/dbraw/zinc/67/07/38/794670738.db2.gz WCXSELBLKIEOLR-MNOVXSKESA-N 1 0 340.384 -2.035 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001278424794 794671000 /nfs/dbraw/zinc/67/10/00/794671000.db2.gz WCXSELBLKIEOLR-QWRGUYRKSA-N 1 0 340.384 -2.035 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001278424795 794670995 /nfs/dbraw/zinc/67/09/95/794670995.db2.gz WCXSELBLKIEOLR-WDEREUQCSA-N 1 0 340.384 -2.035 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCNC(N)=O ZINC001278424820 794670266 /nfs/dbraw/zinc/67/02/66/794670266.db2.gz WIKURERDLMNNIY-NXEZZACHSA-N 1 0 335.430 -1.827 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCNC(N)=O ZINC001278424821 794670863 /nfs/dbraw/zinc/67/08/63/794670863.db2.gz WIKURERDLMNNIY-UWVGGRQHSA-N 1 0 335.430 -1.827 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCNC(N)=O ZINC001278424822 794671087 /nfs/dbraw/zinc/67/10/87/794671087.db2.gz WIKURERDLMNNIY-VHSXEESVSA-N 1 0 335.430 -1.827 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCNC(N)=O ZINC001278424823 794671267 /nfs/dbraw/zinc/67/12/67/794671267.db2.gz WIKURERDLMNNIY-ZJUUUORDSA-N 1 0 335.430 -1.827 20 0 EAADRO C[C@]1(NC(=O)CCc2cn[nH]n2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001278427235 794671243 /nfs/dbraw/zinc/67/12/43/794671243.db2.gz PZTIGQIAJFCKOA-HNNXBMFYSA-N 1 0 349.395 -1.130 20 0 EAADRO C[C@@]1(NC(=O)CCc2cn[nH]n2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001278427236 794670881 /nfs/dbraw/zinc/67/08/81/794670881.db2.gz PZTIGQIAJFCKOA-OAHLLOKOSA-N 1 0 349.395 -1.130 20 0 EAADRO CCOCC[N@@H+]1CC[C@@](C)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278427415 794671190 /nfs/dbraw/zinc/67/11/90/794671190.db2.gz SYQIASHBSXESTI-CYBMUJFWSA-N 1 0 336.458 -1.001 20 0 EAADRO CCOCC[N@@H+]1CC[C@](C)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278427416 794671066 /nfs/dbraw/zinc/67/10/66/794671066.db2.gz SYQIASHBSXESTI-ZDUSSCGKSA-N 1 0 336.458 -1.001 20 0 EAADRO C[C@@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+](CCOCCO)C1 ZINC001278427559 794671419 /nfs/dbraw/zinc/67/14/19/794671419.db2.gz WEXDMTXIQJKWGS-YWPYICTPSA-N 1 0 329.397 -1.391 20 0 EAADRO C[C@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+](CCOCCO)C1 ZINC001278427560 794671109 /nfs/dbraw/zinc/67/11/09/794671109.db2.gz WEXDMTXIQJKWGS-ZOWXZIJZSA-N 1 0 329.397 -1.391 20 0 EAADRO C[C@]1(NC(=O)CCn2cnnn2)CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001278434060 794672989 /nfs/dbraw/zinc/67/29/89/794672989.db2.gz NSIJCPNBFDOZHS-HNNXBMFYSA-N 1 0 349.395 -1.207 20 0 EAADRO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001278434062 794672480 /nfs/dbraw/zinc/67/24/80/794672480.db2.gz NSIJCPNBFDOZHS-OAHLLOKOSA-N 1 0 349.395 -1.207 20 0 EAADRO C[C@]1(NC(=O)Cn2cncn2)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278443940 794674321 /nfs/dbraw/zinc/67/43/21/794674321.db2.gz LEWFDTXVQOIADM-HNNXBMFYSA-N 1 0 349.395 -1.199 20 0 EAADRO C[C@@]1(NC(=O)Cn2cncn2)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278443941 794673954 /nfs/dbraw/zinc/67/39/54/794673954.db2.gz LEWFDTXVQOIADM-OAHLLOKOSA-N 1 0 349.395 -1.199 20 0 EAADRO C[C@]1(NC(=O)CC[C@H]2NC(=O)NC2=O)CC[N@H+](CCOCCO)C1 ZINC001278444840 794674499 /nfs/dbraw/zinc/67/44/99/794674499.db2.gz URBUKBBGSBYHDL-ABAIWWIYSA-N 1 0 342.396 -1.436 20 0 EAADRO C[C@@]1(NC(=O)CC[C@H]2NC(=O)NC2=O)CC[N@H+](CCOCCO)C1 ZINC001278444841 794673748 /nfs/dbraw/zinc/67/37/48/794673748.db2.gz URBUKBBGSBYHDL-IAQYHMDHSA-N 1 0 342.396 -1.436 20 0 EAADRO C[C@]1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC[N@H+](CCOCCO)C1 ZINC001278444842 794673482 /nfs/dbraw/zinc/67/34/82/794673482.db2.gz URBUKBBGSBYHDL-NHYWBVRUSA-N 1 0 342.396 -1.436 20 0 EAADRO C[C@@]1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC[N@H+](CCOCCO)C1 ZINC001278444843 794674450 /nfs/dbraw/zinc/67/44/50/794674450.db2.gz URBUKBBGSBYHDL-XHDPSFHLSA-N 1 0 342.396 -1.436 20 0 EAADRO C[C@]1(NC(=O)CN2C(=O)CNC2=O)CC[N@H+](CCOCCO)C1 ZINC001278444916 794673664 /nfs/dbraw/zinc/67/36/64/794673664.db2.gz WEYRRRPXNJIQFN-AWEZNQCLSA-N 1 0 328.369 -1.872 20 0 EAADRO C[C@@]1(NC(=O)CN2C(=O)CNC2=O)CC[N@H+](CCOCCO)C1 ZINC001278444917 794674430 /nfs/dbraw/zinc/67/44/30/794674430.db2.gz WEYRRRPXNJIQFN-CQSZACIVSA-N 1 0 328.369 -1.872 20 0 EAADRO NC(=O)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC001278446548 794674778 /nfs/dbraw/zinc/67/47/78/794674778.db2.gz QJNNZWXIYOJHFP-BLLLJJGKSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)CC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC001278446550 794675243 /nfs/dbraw/zinc/67/52/43/794675243.db2.gz QJNNZWXIYOJHFP-LRDDRELGSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC001278446551 794675687 /nfs/dbraw/zinc/67/56/87/794675687.db2.gz QJNNZWXIYOJHFP-MLGOLLRUSA-N 1 0 338.408 -1.166 20 0 EAADRO NC(=O)CC(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC001278446553 794675754 /nfs/dbraw/zinc/67/57/54/794675754.db2.gz QJNNZWXIYOJHFP-WBMJQRKESA-N 1 0 338.408 -1.166 20 0 EAADRO C[C@]1(NC(=O)CCCC(N)=O)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001278451869 794675302 /nfs/dbraw/zinc/67/53/02/794675302.db2.gz YOCXCNJATVOVQC-HNNXBMFYSA-N 1 0 339.396 -1.226 20 0 EAADRO C[C@@]1(NC(=O)CCCC(N)=O)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001278451871 794675852 /nfs/dbraw/zinc/67/58/52/794675852.db2.gz YOCXCNJATVOVQC-OAHLLOKOSA-N 1 0 339.396 -1.226 20 0 EAADRO C[C@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)Cn2cnnn2)C1 ZINC001278456817 794675633 /nfs/dbraw/zinc/67/56/33/794675633.db2.gz PQFXKVJENLVVFH-GFCCVEGCSA-N 1 0 345.429 -1.950 20 0 EAADRO C[C@@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)Cn2cnnn2)C1 ZINC001278456818 794675555 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-1.029 20 0 EAADRO CN(C)S(=O)(=O)CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC(N)=O)C1 ZINC001278477473 794677722 /nfs/dbraw/zinc/67/77/22/794677722.db2.gz RYMIUMOMSFXGEE-CQSZACIVSA-N 1 0 348.469 -1.029 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001278484742 794677075 /nfs/dbraw/zinc/67/70/75/794677075.db2.gz MVLBWKAAXCFQFP-AWEZNQCLSA-N 1 0 327.385 -1.464 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001278484743 794677628 /nfs/dbraw/zinc/67/76/28/794677628.db2.gz MVLBWKAAXCFQFP-CQSZACIVSA-N 1 0 327.385 -1.464 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001278484836 794677993 /nfs/dbraw/zinc/67/79/93/794677993.db2.gz OLAVISLWIGMQFU-BMIGLBTASA-N 1 0 341.412 -1.076 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001278484837 794677868 /nfs/dbraw/zinc/67/78/68/794677868.db2.gz OLAVISLWIGMQFU-BONVTDFDSA-N 1 0 341.412 -1.076 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001278484838 794677937 /nfs/dbraw/zinc/67/79/37/794677937.db2.gz OLAVISLWIGMQFU-MEBBXXQBSA-N 1 0 341.412 -1.076 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001278484839 794677972 /nfs/dbraw/zinc/67/79/72/794677972.db2.gz OLAVISLWIGMQFU-ZUZCIYMTSA-N 1 0 341.412 -1.076 20 0 EAADRO C[C@@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001278490421 794678986 /nfs/dbraw/zinc/67/89/86/794678986.db2.gz CYDSCLGJLVGSQD-GWCFXTLKSA-N 1 0 333.410 -1.032 20 0 EAADRO C[C@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001278490423 794678868 /nfs/dbraw/zinc/67/88/68/794678868.db2.gz CYDSCLGJLVGSQD-GXFFZTMASA-N 1 0 333.410 -1.032 20 0 EAADRO C[C@@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001278490425 794678586 /nfs/dbraw/zinc/67/85/86/794678586.db2.gz CYDSCLGJLVGSQD-MFKMUULPSA-N 1 0 333.410 -1.032 20 0 EAADRO C[C@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001278490426 794679016 /nfs/dbraw/zinc/67/90/16/794679016.db2.gz CYDSCLGJLVGSQD-ZWNOBZJWSA-N 1 0 333.410 -1.032 20 0 EAADRO Cn1cc(C(=O)N2CC[C@@](C)(C[NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001278490531 794678895 /nfs/dbraw/zinc/67/88/95/794678895.db2.gz DPGDXJXRBJNTSK-HNNXBMFYSA-N 1 0 349.395 -1.191 20 0 EAADRO Cn1cc(C(=O)N2CC[C@](C)(C[NH2+]CCN3C(=O)CNC3=O)C2)nn1 ZINC001278490532 794678498 /nfs/dbraw/zinc/67/84/98/794678498.db2.gz DPGDXJXRBJNTSK-OAHLLOKOSA-N 1 0 349.395 -1.191 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@H]1C ZINC001278494357 794678775 /nfs/dbraw/zinc/67/87/75/794678775.db2.gz PDDHKCAUHXYLST-CMPLNLGQSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@H]1C ZINC001278494359 794678905 /nfs/dbraw/zinc/67/89/05/794678905.db2.gz PDDHKCAUHXYLST-JQWIXIFHSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001278494361 794678929 /nfs/dbraw/zinc/67/89/29/794678929.db2.gz PDDHKCAUHXYLST-PWSUYJOCSA-N 1 0 339.396 -1.357 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001278494362 794678550 /nfs/dbraw/zinc/67/85/50/794678550.db2.gz PDDHKCAUHXYLST-ZYHUDNBSSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@]1(C[NH2+]CCN2CCNC2=O)CCN(C(=O)Cn2ncnn2)C1 ZINC001278498717 794678949 /nfs/dbraw/zinc/67/89/49/794678949.db2.gz PUJZDUBURSZXJT-AWEZNQCLSA-N 1 0 336.400 -1.474 20 0 EAADRO C[C@]1(C[NH2+]CCN2CCNC2=O)CCN(C(=O)Cn2ncnn2)C1 ZINC001278498718 794678854 /nfs/dbraw/zinc/67/88/54/794678854.db2.gz PUJZDUBURSZXJT-CQSZACIVSA-N 1 0 336.400 -1.474 20 0 EAADRO C[C@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CCOCCO ZINC001278509595 794679893 /nfs/dbraw/zinc/67/98/93/794679893.db2.gz BXBGVGQDZOHWDP-KBPBESRZSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CCOCCO ZINC001278509596 794679288 /nfs/dbraw/zinc/67/92/88/794679288.db2.gz BXBGVGQDZOHWDP-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H]1[C@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CCOCCO ZINC001278509597 794679770 /nfs/dbraw/zinc/67/97/70/794679770.db2.gz BXBGVGQDZOHWDP-UONOGXRCSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@@H]1[C@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CCOCCO ZINC001278509598 794679845 /nfs/dbraw/zinc/67/98/45/794679845.db2.gz BXBGVGQDZOHWDP-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@]1(C)CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001278517644 794679920 /nfs/dbraw/zinc/67/99/20/794679920.db2.gz AJDFFPHPVJGIAC-CYBMUJFWSA-N 1 0 345.354 -1.080 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@]1(C)CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001278517645 794679936 /nfs/dbraw/zinc/67/99/36/794679936.db2.gz AJDFFPHPVJGIAC-ZDUSSCGKSA-N 1 0 345.354 -1.080 20 0 EAADRO C[C@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001278519146 794679884 /nfs/dbraw/zinc/67/98/84/794679884.db2.gz NPZXTZDEISKPCO-GFCCVEGCSA-N 1 0 330.414 -1.204 20 0 EAADRO C[C@@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001278519150 794679320 /nfs/dbraw/zinc/67/93/20/794679320.db2.gz NPZXTZDEISKPCO-LBPRGKRZSA-N 1 0 330.414 -1.204 20 0 EAADRO C[C@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001278528737 794679944 /nfs/dbraw/zinc/67/99/44/794679944.db2.gz JEOWJKWOZFEATH-BXUZGUMPSA-N 1 0 331.438 -1.005 20 0 EAADRO C[C@@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001278528738 794679145 /nfs/dbraw/zinc/67/91/45/794679145.db2.gz JEOWJKWOZFEATH-FZMZJTMJSA-N 1 0 331.438 -1.005 20 0 EAADRO C[C@@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001278528739 794679878 /nfs/dbraw/zinc/67/98/78/794679878.db2.gz JEOWJKWOZFEATH-RISCZKNCSA-N 1 0 331.438 -1.005 20 0 EAADRO C[C@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001278528740 794679234 /nfs/dbraw/zinc/67/92/34/794679234.db2.gz JEOWJKWOZFEATH-SMDDNHRTSA-N 1 0 331.438 -1.005 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001278547485 794680982 /nfs/dbraw/zinc/68/09/82/794680982.db2.gz QSEIZZQQOUPKST-QWRGUYRKSA-N 1 0 340.467 -1.050 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001278547486 794680872 /nfs/dbraw/zinc/68/08/72/794680872.db2.gz QSEIZZQQOUPKST-WDEREUQCSA-N 1 0 340.467 -1.050 20 0 EAADRO C[C@@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001278550554 794681011 /nfs/dbraw/zinc/68/10/11/794681011.db2.gz UKCKBRAVLQTMFT-SUNKGSAMSA-N 1 0 331.438 -1.019 20 0 EAADRO C[C@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001278550555 794680521 /nfs/dbraw/zinc/68/05/21/794680521.db2.gz UKCKBRAVLQTMFT-UHIISALHSA-N 1 0 331.438 -1.019 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001278551934 794681015 /nfs/dbraw/zinc/68/10/15/794681015.db2.gz KKRFATLSPQIURN-GHMZBOCLSA-N 1 0 334.442 -1.372 20 0 EAADRO CN(CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001278551935 794680446 /nfs/dbraw/zinc/68/04/46/794680446.db2.gz KKRFATLSPQIURN-MNOVXSKESA-N 1 0 334.442 -1.372 20 0 EAADRO CN(CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001278551936 794680842 /nfs/dbraw/zinc/68/08/42/794680842.db2.gz KKRFATLSPQIURN-QWRGUYRKSA-N 1 0 334.442 -1.372 20 0 EAADRO CN(CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001278551937 794680508 /nfs/dbraw/zinc/68/05/08/794680508.db2.gz KKRFATLSPQIURN-WDEREUQCSA-N 1 0 334.442 -1.372 20 0 EAADRO COCC[NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001278556306 794680183 /nfs/dbraw/zinc/68/01/83/794680183.db2.gz MPTKXCIFOMUJQD-HNNXBMFYSA-N 1 0 340.380 -1.118 20 0 EAADRO COCC[NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001278556307 794681002 /nfs/dbraw/zinc/68/10/02/794681002.db2.gz MPTKXCIFOMUJQD-OAHLLOKOSA-N 1 0 340.380 -1.118 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001278561631 794680698 /nfs/dbraw/zinc/68/06/98/794680698.db2.gz APBOBSCCSVSWCS-MLGOLLRUSA-N 1 0 341.408 -1.125 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001278561632 794680309 /nfs/dbraw/zinc/68/03/09/794680309.db2.gz APBOBSCCSVSWCS-WBMJQRKESA-N 1 0 341.408 -1.125 20 0 EAADRO C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 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336.400 -1.427 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001278565364 794680121 /nfs/dbraw/zinc/68/01/21/794680121.db2.gz NWINDBARVXGUND-GHMZBOCLSA-N 1 0 334.442 -1.166 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001278565365 794680024 /nfs/dbraw/zinc/68/00/24/794680024.db2.gz NWINDBARVXGUND-MNOVXSKESA-N 1 0 334.442 -1.166 20 0 EAADRO CNC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001278565366 794680918 /nfs/dbraw/zinc/68/09/18/794680918.db2.gz NWINDBARVXGUND-QWRGUYRKSA-N 1 0 334.442 -1.166 20 0 EAADRO CNC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001278565367 794680927 /nfs/dbraw/zinc/68/09/27/794680927.db2.gz NWINDBARVXGUND-WDEREUQCSA-N 1 0 334.442 -1.166 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572232 794680896 /nfs/dbraw/zinc/68/08/96/794680896.db2.gz PKXWSXZTYAOMAV-BDAKNGLRSA-N 1 0 345.354 -1.034 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572233 794681032 /nfs/dbraw/zinc/68/10/32/794681032.db2.gz PKXWSXZTYAOMAV-DTWKUNHWSA-N 1 0 345.354 -1.034 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572234 794680622 /nfs/dbraw/zinc/68/06/22/794680622.db2.gz PKXWSXZTYAOMAV-IUCAKERBSA-N 1 0 345.354 -1.034 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572235 794680242 /nfs/dbraw/zinc/68/02/42/794680242.db2.gz PKXWSXZTYAOMAV-RKDXNWHRSA-N 1 0 345.354 -1.034 20 0 EAADRO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001278576370 794680482 /nfs/dbraw/zinc/68/04/82/794680482.db2.gz CMHLBQAQMIDTFC-LKFCYVNXSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001278576371 794680615 /nfs/dbraw/zinc/68/06/15/794680615.db2.gz CMHLBQAQMIDTFC-OTYXRUKQSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001278576373 794680319 /nfs/dbraw/zinc/68/03/19/794680319.db2.gz CMHLBQAQMIDTFC-XPTSAGLGSA-N 1 0 325.369 -1.760 20 0 EAADRO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001278576374 794680329 /nfs/dbraw/zinc/68/03/29/794680329.db2.gz CMHLBQAQMIDTFC-YMTOWFKASA-N 1 0 325.369 -1.760 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001278576984 794680992 /nfs/dbraw/zinc/68/09/92/794680992.db2.gz LIIBTKDWVIZMEO-HNNXBMFYSA-N 1 0 349.395 -1.313 20 0 EAADRO Cn1nnnc1C[NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001278576986 794680968 /nfs/dbraw/zinc/68/09/68/794680968.db2.gz LIIBTKDWVIZMEO-OAHLLOKOSA-N 1 0 349.395 -1.313 20 0 EAADRO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001278577817 794680061 /nfs/dbraw/zinc/68/00/61/794680061.db2.gz SVROSRMHAVFHBK-AWEZNQCLSA-N 1 0 325.369 -1.888 20 0 EAADRO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001278577818 794680922 /nfs/dbraw/zinc/68/09/22/794680922.db2.gz SVROSRMHAVFHBK-CQSZACIVSA-N 1 0 325.369 -1.888 20 0 EAADRO C[C@@]1(C[NH2+]CCO)CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001278582912 794680892 /nfs/dbraw/zinc/68/08/92/794680892.db2.gz RVXKQVYQXPNLES-AWEZNQCLSA-N 1 0 333.454 -1.463 20 0 EAADRO C[C@]1(C[NH2+]CCO)CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001278582913 794680436 /nfs/dbraw/zinc/68/04/36/794680436.db2.gz RVXKQVYQXPNLES-CQSZACIVSA-N 1 0 333.454 -1.463 20 0 EAADRO CC1(CNC(=O)Cn2cnnn2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001278593175 794680885 /nfs/dbraw/zinc/68/08/85/794680885.db2.gz CJBYOKSYPBSMAX-LLVKDONJSA-N 1 0 349.395 -1.303 20 0 EAADRO CC1(CNC(=O)Cn2cnnn2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001278593176 794680202 /nfs/dbraw/zinc/68/02/02/794680202.db2.gz CJBYOKSYPBSMAX-NSHDSACASA-N 1 0 349.395 -1.303 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001278602545 794680018 /nfs/dbraw/zinc/68/00/18/794680018.db2.gz SAYMEIWNULCRDQ-GHMZBOCLSA-N 1 0 344.441 -1.148 20 0 EAADRO Cn1ncc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001278602546 794680867 /nfs/dbraw/zinc/68/08/67/794680867.db2.gz SAYMEIWNULCRDQ-MNOVXSKESA-N 1 0 344.441 -1.148 20 0 EAADRO Cn1ncc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001278602547 794680718 /nfs/dbraw/zinc/68/07/18/794680718.db2.gz SAYMEIWNULCRDQ-QWRGUYRKSA-N 1 0 344.441 -1.148 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)n1 ZINC001278602548 794680173 /nfs/dbraw/zinc/68/01/73/794680173.db2.gz SAYMEIWNULCRDQ-WDEREUQCSA-N 1 0 344.441 -1.148 20 0 EAADRO CC1(CNC(=O)Cn2ncnn2)CC[NH+](CCOCCO)CC1 ZINC001278607071 794680686 /nfs/dbraw/zinc/68/06/86/794680686.db2.gz CNEHMYUMMLYSRG-UHFFFAOYSA-N 1 0 326.401 -1.100 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001278608863 794680084 /nfs/dbraw/zinc/68/00/84/794680084.db2.gz RFCQFSMUSZGBNE-GHMZBOCLSA-N 1 0 344.441 -1.229 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001278608864 794680599 /nfs/dbraw/zinc/68/05/99/794680599.db2.gz RFCQFSMUSZGBNE-MNOVXSKESA-N 1 0 344.441 -1.229 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001278608865 794680766 /nfs/dbraw/zinc/68/07/66/794680766.db2.gz RFCQFSMUSZGBNE-QWRGUYRKSA-N 1 0 344.441 -1.229 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001278608866 794680002 /nfs/dbraw/zinc/68/00/02/794680002.db2.gz RFCQFSMUSZGBNE-WDEREUQCSA-N 1 0 344.441 -1.229 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001278613376 794680913 /nfs/dbraw/zinc/68/09/13/794680913.db2.gz KYCLVEYHJZCSOB-CHWSQXEVSA-N 1 0 333.454 -1.416 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001278613378 794680549 /nfs/dbraw/zinc/68/05/49/794680549.db2.gz KYCLVEYHJZCSOB-OLZOCXBDSA-N 1 0 333.454 -1.416 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001278613379 794680861 /nfs/dbraw/zinc/68/08/61/794680861.db2.gz KYCLVEYHJZCSOB-QWHCGFSZSA-N 1 0 333.454 -1.416 20 0 EAADRO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001278613380 794680096 /nfs/dbraw/zinc/68/00/96/794680096.db2.gz KYCLVEYHJZCSOB-STQMWFEESA-N 1 0 333.454 -1.416 20 0 EAADRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1 ZINC001278619332 794680905 /nfs/dbraw/zinc/68/09/05/794680905.db2.gz VDGPAKMZIYPOSZ-LLVKDONJSA-N 1 0 334.442 -1.502 20 0 EAADRO CC(=O)NCC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1 ZINC001278619333 794680070 /nfs/dbraw/zinc/68/00/70/794680070.db2.gz VDGPAKMZIYPOSZ-NSHDSACASA-N 1 0 334.442 -1.502 20 0 EAADRO CC(=O)NCCOCC[NH+]1CCC(C)(CNC(=O)C(N)=O)CC1 ZINC001278623149 794680232 /nfs/dbraw/zinc/68/02/32/794680232.db2.gz SZQZOIRGOJNQKG-UHFFFAOYSA-N 1 0 328.413 -1.157 20 0 EAADRO CC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)NC[C@H]2CCOC2)CC1 ZINC001278623737 794682573 /nfs/dbraw/zinc/68/25/73/794682573.db2.gz ZCMBLCLUDGSIGP-GFCCVEGCSA-N 1 0 340.424 -1.157 20 0 EAADRO CC1(CNC(=O)C(N)=O)CC[NH+](CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001278623739 794681836 /nfs/dbraw/zinc/68/18/36/794681836.db2.gz ZCMBLCLUDGSIGP-LBPRGKRZSA-N 1 0 340.424 -1.157 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001278631567 794683733 /nfs/dbraw/zinc/68/37/33/794683733.db2.gz XUYKVRZYCRDSKL-LLVKDONJSA-N 1 0 328.413 -1.159 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001278631568 794683802 /nfs/dbraw/zinc/68/38/02/794683802.db2.gz XUYKVRZYCRDSKL-NSHDSACASA-N 1 0 328.413 -1.159 20 0 EAADRO CC1(C)CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001278651824 794686860 /nfs/dbraw/zinc/68/68/60/794686860.db2.gz UETFXTZMDHATKP-NXEZZACHSA-N 1 0 339.396 -1.466 20 0 EAADRO CC1(C)CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001278651825 794687827 /nfs/dbraw/zinc/68/78/27/794687827.db2.gz UETFXTZMDHATKP-UWVGGRQHSA-N 1 0 339.396 -1.466 20 0 EAADRO CC1(C)CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001278651826 794687191 /nfs/dbraw/zinc/68/71/91/794687191.db2.gz UETFXTZMDHATKP-VHSXEESVSA-N 1 0 339.396 -1.466 20 0 EAADRO CC1(C)CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001278651827 794687454 /nfs/dbraw/zinc/68/74/54/794687454.db2.gz UETFXTZMDHATKP-ZJUUUORDSA-N 1 0 339.396 -1.466 20 0 EAADRO CC1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@@H]1[NH2+]CCOCCO ZINC001278651958 794687845 /nfs/dbraw/zinc/68/78/45/794687845.db2.gz WUBXKDDGCZCLNM-QWRGUYRKSA-N 1 0 342.396 -1.580 20 0 EAADRO CC1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]CCOCCO ZINC001278651959 794687458 /nfs/dbraw/zinc/68/74/58/794687458.db2.gz WUBXKDDGCZCLNM-WDEREUQCSA-N 1 0 342.396 -1.580 20 0 EAADRO CN(CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001278653586 794687915 /nfs/dbraw/zinc/68/79/15/794687915.db2.gz NGHCIINOAVNDNV-AWEZNQCLSA-N 1 0 348.469 -1.029 20 0 EAADRO CN(CC[N@@H+]1CCC[C@](C)(CNC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001278653588 794687966 /nfs/dbraw/zinc/68/79/66/794687966.db2.gz NGHCIINOAVNDNV-CQSZACIVSA-N 1 0 348.469 -1.029 20 0 EAADRO CC1(C)CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@@H]1[NH2+]CCCO ZINC001278655649 794687946 /nfs/dbraw/zinc/68/79/46/794687946.db2.gz BJUBVNJMDRQZLS-QWRGUYRKSA-N 1 0 347.437 -1.891 20 0 EAADRO CC1(C)CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[C@H]1[NH2+]CCCO ZINC001278655650 794687693 /nfs/dbraw/zinc/68/76/93/794687693.db2.gz BJUBVNJMDRQZLS-WDEREUQCSA-N 1 0 347.437 -1.891 20 0 EAADRO Cn1nnc(C(=O)N2C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)n1 ZINC001278660906 794687107 /nfs/dbraw/zinc/68/71/07/794687107.db2.gz BUKCUBASDMATFQ-SECBINFHSA-N 1 0 345.429 -1.801 20 0 EAADRO Cn1nnc(C(=O)N2C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)n1 ZINC001278660907 794687956 /nfs/dbraw/zinc/68/79/56/794687956.db2.gz BUKCUBASDMATFQ-VIFPVBQESA-N 1 0 345.429 -1.801 20 0 EAADRO CC1(C)CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]CCOCCO ZINC001278662161 794687648 /nfs/dbraw/zinc/68/76/48/794687648.db2.gz OZCSFQBYSSXABW-CYBMUJFWSA-N 1 0 342.440 -1.746 20 0 EAADRO CC1(C)CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]CCOCCO ZINC001278662162 794687716 /nfs/dbraw/zinc/68/77/16/794687716.db2.gz OZCSFQBYSSXABW-ZDUSSCGKSA-N 1 0 342.440 -1.746 20 0 EAADRO CC1(C)CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001278667492 794690776 /nfs/dbraw/zinc/69/07/76/794690776.db2.gz QKTWYEKCJLQCMV-LLVKDONJSA-N 1 0 326.397 -1.407 20 0 EAADRO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001278667493 794690872 /nfs/dbraw/zinc/69/08/72/794690872.db2.gz QKTWYEKCJLQCMV-NSHDSACASA-N 1 0 326.397 -1.407 20 0 EAADRO CC1(C)CN(C(=O)C(N)=O)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001278668658 794690361 /nfs/dbraw/zinc/69/03/61/794690361.db2.gz ZRZSVLPCROATPS-SECBINFHSA-N 1 0 325.369 -1.760 20 0 EAADRO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001278668659 794690615 /nfs/dbraw/zinc/69/06/15/794690615.db2.gz ZRZSVLPCROATPS-VIFPVBQESA-N 1 0 325.369 -1.760 20 0 EAADRO Cn1ncc(C(=O)N2C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)n1 ZINC001278671800 794690079 /nfs/dbraw/zinc/69/00/79/794690079.db2.gz BXRNYGXXIPPLHQ-LLVKDONJSA-N 1 0 344.441 -1.196 20 0 EAADRO Cn1ncc(C(=O)N2C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)n1 ZINC001278671802 794690277 /nfs/dbraw/zinc/69/02/77/794690277.db2.gz BXRNYGXXIPPLHQ-NSHDSACASA-N 1 0 344.441 -1.196 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(C)CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001278673487 794690821 /nfs/dbraw/zinc/69/08/21/794690821.db2.gz STQITOCGHVUBLX-BMIGLBTASA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1nnc(C(=O)NC[C@]2(C)CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001278673488 794689989 /nfs/dbraw/zinc/68/99/89/794689989.db2.gz STQITOCGHVUBLX-BONVTDFDSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(C)CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001278673489 794690286 /nfs/dbraw/zinc/69/02/86/794690286.db2.gz STQITOCGHVUBLX-MEBBXXQBSA-N 1 0 349.395 -1.153 20 0 EAADRO Cn1nnc(C(=O)NC[C@@]2(C)CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001278673490 794690346 /nfs/dbraw/zinc/69/03/46/794690346.db2.gz STQITOCGHVUBLX-ZUZCIYMTSA-N 1 0 349.395 -1.153 20 0 EAADRO C[C@@]1(CNC(=O)[C@H]2CNC(=O)N2)CCC[N@H+](CCOCCO)C1 ZINC001278679078 794689947 /nfs/dbraw/zinc/68/99/47/794689947.db2.gz ZNYHMCCFADBSHP-DOMZBBRYSA-N 1 0 328.413 -1.105 20 0 EAADRO C[C@]1(CNC(=O)[C@H]2CNC(=O)N2)CCC[N@H+](CCOCCO)C1 ZINC001278679079 794690634 /nfs/dbraw/zinc/69/06/34/794690634.db2.gz ZNYHMCCFADBSHP-IUODEOHRSA-N 1 0 328.413 -1.105 20 0 EAADRO C[C@]1(CNC(=O)[C@@H]2CNC(=O)N2)CCC[N@H+](CCOCCO)C1 ZINC001278679080 794690514 /nfs/dbraw/zinc/69/05/14/794690514.db2.gz ZNYHMCCFADBSHP-SWLSCSKDSA-N 1 0 328.413 -1.105 20 0 EAADRO C[C@@]1(CNC(=O)[C@@H]2CNC(=O)N2)CCC[N@H+](CCOCCO)C1 ZINC001278679081 794690525 /nfs/dbraw/zinc/69/05/25/794690525.db2.gz ZNYHMCCFADBSHP-WFASDCNBSA-N 1 0 328.413 -1.105 20 0 EAADRO COC[C@H](O)C[NH2+][C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC1(C)C ZINC001278689802 794692492 /nfs/dbraw/zinc/69/24/92/794692492.db2.gz JABQOWIOEIYWSF-NEPJUHHUSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC1(C)C ZINC001278689803 794692455 /nfs/dbraw/zinc/69/24/55/794692455.db2.gz JABQOWIOEIYWSF-NWDGAFQWSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@@H](O)C[NH2+][C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC1(C)C ZINC001278689804 794691846 /nfs/dbraw/zinc/69/18/46/794691846.db2.gz JABQOWIOEIYWSF-RYUDHWBXSA-N 1 0 341.408 -1.031 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC1(C)C ZINC001278689805 794691477 /nfs/dbraw/zinc/69/14/77/794691477.db2.gz JABQOWIOEIYWSF-VXGBXAGGSA-N 1 0 341.408 -1.031 20 0 EAADRO O=C(NCC1([NH2+]CCOCCO)CCOCC1)[C@H]1COCCO1 ZINC001278698703 794691418 /nfs/dbraw/zinc/69/14/18/794691418.db2.gz FSMYEPRGSCZGLI-CYBMUJFWSA-N 1 0 332.397 -1.334 20 0 EAADRO O=C(NCC1([NH2+]CCOCCO)CCOCC1)[C@@H]1COCCO1 ZINC001278698705 794692337 /nfs/dbraw/zinc/69/23/37/794692337.db2.gz FSMYEPRGSCZGLI-ZDUSSCGKSA-N 1 0 332.397 -1.334 20 0 EAADRO COCCCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCOCC1 ZINC001278698907 794692409 /nfs/dbraw/zinc/69/24/09/794692409.db2.gz JYXLTEWOWBYYOY-UHFFFAOYSA-N 1 0 330.385 -1.137 20 0 EAADRO Nc1nccnc1C(=O)NCC1([NH2+]CCOCCO)CCOCC1 ZINC001278701630 794693572 /nfs/dbraw/zinc/69/35/72/794693572.db2.gz HQRGDMJSMFHVCJ-UHFFFAOYSA-N 1 0 339.396 -1.064 20 0 EAADRO COCC(=O)N(C)C[C@@H](O)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001278703316 794692734 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NC(=O)C1(C(=O)NCC2([NH2+]CCn3cncn3)CCOCC2)CC1 ZINC001278718059 794693290 /nfs/dbraw/zinc/69/32/90/794693290.db2.gz CRXYPPFXJLJVPK-UHFFFAOYSA-N 1 0 336.396 -1.201 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)C1CCOCC1 ZINC001278718397 794692990 /nfs/dbraw/zinc/69/29/90/794692990.db2.gz DQYZBIHITBTODC-GFCCVEGCSA-N 1 0 337.442 -1.629 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)C1CCOCC1 ZINC001278718400 794693709 /nfs/dbraw/zinc/69/37/09/794693709.db2.gz DQYZBIHITBTODC-LBPRGKRZSA-N 1 0 337.442 -1.629 20 0 EAADRO CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CCOCC1 ZINC001278718753 794692585 /nfs/dbraw/zinc/69/25/85/794692585.db2.gz RDEAMNFLNIEWOK-GFCCVEGCSA-N 1 0 340.424 -1.098 20 0 EAADRO CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001278718754 794693414 /nfs/dbraw/zinc/69/34/14/794693414.db2.gz RDEAMNFLNIEWOK-LBPRGKRZSA-N 1 0 340.424 -1.098 20 0 EAADRO COC[C@H](O)C[NH2+]C1(CNC(=O)C2(C(N)=O)CC2)CCOCC1 ZINC001278719046 794693553 /nfs/dbraw/zinc/69/35/53/794693553.db2.gz ZLBWGLFUFLYWJG-LLVKDONJSA-N 1 0 329.397 -1.486 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)Nc1ccon1)C(=O)c1cc[n+]([O-])cc1 ZINC001278719583 794694406 /nfs/dbraw/zinc/69/44/06/794694406.db2.gz HKXZGYWLADWXKZ-GFCCVEGCSA-N 1 0 349.347 -1.031 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)Nc1ccon1)C(=O)c1cc[n+]([O-])cc1 ZINC001278719584 794694923 /nfs/dbraw/zinc/69/49/23/794694923.db2.gz HKXZGYWLADWXKZ-LBPRGKRZSA-N 1 0 349.347 -1.031 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001278720176 794695169 /nfs/dbraw/zinc/69/51/69/794695169.db2.gz KXXMBGFQMCIJDM-AAEUAGOBSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001278720179 794694643 /nfs/dbraw/zinc/69/46/43/794694643.db2.gz KXXMBGFQMCIJDM-DGCLKSJQSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001278720183 794694464 /nfs/dbraw/zinc/69/44/64/794694464.db2.gz KXXMBGFQMCIJDM-WCQYABFASA-N 1 0 328.413 -1.458 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001278720185 794694661 /nfs/dbraw/zinc/69/46/61/794694661.db2.gz KXXMBGFQMCIJDM-YPMHNXCESA-N 1 0 328.413 -1.458 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001278721381 794694867 /nfs/dbraw/zinc/69/48/67/794694867.db2.gz OQKQXLLRIANXJZ-JTQLQIEISA-N 1 0 338.368 -1.770 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001278721382 794694910 /nfs/dbraw/zinc/69/49/10/794694910.db2.gz OQKQXLLRIANXJZ-SNVBAGLBSA-N 1 0 338.368 -1.770 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1ccc(=O)[nH]n1 ZINC001278721417 794694161 /nfs/dbraw/zinc/69/41/61/794694161.db2.gz PTEFWBYLGNTSNJ-LLVKDONJSA-N 1 0 337.380 -1.269 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1ccc(=O)[nH]n1 ZINC001278721418 794695192 /nfs/dbraw/zinc/69/51/92/794695192.db2.gz PTEFWBYLGNTSNJ-NSHDSACASA-N 1 0 337.380 -1.269 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)O1 ZINC001278722525 794695062 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CN(C[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)C(=O)[C@H]1CCCO1 ZINC001278723361 794694879 /nfs/dbraw/zinc/69/48/79/794694879.db2.gz WLDLXDJJXMOYRU-VXGBXAGGSA-N 1 0 342.396 -1.484 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)C1=COCCO1 ZINC001278723871 794694943 /nfs/dbraw/zinc/69/49/43/794694943.db2.gz YCBBCUMCVMEBAK-LLVKDONJSA-N 1 0 336.410 -1.282 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)C1=COCCO1 ZINC001278723873 794694936 /nfs/dbraw/zinc/69/49/36/794694936.db2.gz YCBBCUMCVMEBAK-NSHDSACASA-N 1 0 336.410 -1.282 20 0 EAADRO CC[NH2+]C1(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)CCOCC1 ZINC001278725980 794694611 /nfs/dbraw/zinc/69/46/11/794694611.db2.gz BJTQYHZPQGFXAV-UHFFFAOYSA-N 1 0 326.353 -1.318 20 0 EAADRO CC1CCN(C(=O)C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)CC1 ZINC001278725983 794695147 /nfs/dbraw/zinc/69/51/47/794695147.db2.gz BMQKESYUUJFUPU-UHFFFAOYSA-N 1 0 340.424 -1.015 20 0 EAADRO C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001278726195 794695113 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CNC(=O)C1(C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)CCC1 ZINC001278728358 794695018 /nfs/dbraw/zinc/69/50/18/794695018.db2.gz KMCOEXQBOKZRIQ-UHFFFAOYSA-N 1 0 326.397 -1.357 20 0 EAADRO CN1CCCC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1=O ZINC001278728563 794694827 /nfs/dbraw/zinc/69/48/27/794694827.db2.gz QLFNEYJQGMZJDH-GFCCVEGCSA-N 1 0 340.424 -1.015 20 0 EAADRO CN1CCCC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1=O ZINC001278728564 794694986 /nfs/dbraw/zinc/69/49/86/794694986.db2.gz QLFNEYJQGMZJDH-LBPRGKRZSA-N 1 0 340.424 -1.015 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NCC1([NH2+]CCCO)CCOCC1 ZINC001278728894 794694655 /nfs/dbraw/zinc/69/46/55/794694655.db2.gz WIHNSCNXCPFJNU-UHFFFAOYSA-N 1 0 327.381 -1.227 20 0 EAADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)n1cccn1 ZINC001278729976 794695917 /nfs/dbraw/zinc/69/59/17/794695917.db2.gz BLPMPFCTJKJBEX-NEPJUHHUSA-N 1 0 332.426 -1.102 20 0 EAADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)n1cccn1 ZINC001278729978 794696302 /nfs/dbraw/zinc/69/63/02/794696302.db2.gz BLPMPFCTJKJBEX-NWDGAFQWSA-N 1 0 332.426 -1.102 20 0 EAADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)n1cccn1 ZINC001278729981 794696226 /nfs/dbraw/zinc/69/62/26/794696226.db2.gz BLPMPFCTJKJBEX-RYUDHWBXSA-N 1 0 332.426 -1.102 20 0 EAADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)n1cccn1 ZINC001278729982 794696036 /nfs/dbraw/zinc/69/60/36/794696036.db2.gz BLPMPFCTJKJBEX-VXGBXAGGSA-N 1 0 332.426 -1.102 20 0 EAADRO Cc1ccc(C(=O)N(C)C[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001278730217 794696265 /nfs/dbraw/zinc/69/62/65/794696265.db2.gz CJLSZYPUYSELHS-CYBMUJFWSA-N 1 0 349.391 -1.036 20 0 EAADRO Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)cn1 ZINC001278730219 794696078 /nfs/dbraw/zinc/69/60/78/794696078.db2.gz CJLSZYPUYSELHS-ZDUSSCGKSA-N 1 0 349.391 -1.036 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)Cn1cnnn1 ZINC001278730619 794696452 /nfs/dbraw/zinc/69/64/52/794696452.db2.gz FTRWVYGVNIRXHK-JTQLQIEISA-N 1 0 339.356 -2.769 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)Cn1cnnn1 ZINC001278730620 794696354 /nfs/dbraw/zinc/69/63/54/794696354.db2.gz FTRWVYGVNIRXHK-SNVBAGLBSA-N 1 0 339.356 -2.769 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)C(=O)c1cc[nH]n1 ZINC001278730828 794694994 /nfs/dbraw/zinc/69/49/94/794694994.db2.gz GPCVQMKTYSJACX-LLVKDONJSA-N 1 0 345.425 -1.532 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)C(=O)c1cc[nH]n1 ZINC001278730829 794694596 /nfs/dbraw/zinc/69/45/96/794694596.db2.gz GPCVQMKTYSJACX-NSHDSACASA-N 1 0 345.425 -1.532 20 0 EAADRO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)[nH]n1 ZINC001278731467 794694807 /nfs/dbraw/zinc/69/48/07/794694807.db2.gz KNSGUCNREUORQA-GHMZBOCLSA-N 1 0 337.380 -1.200 20 0 EAADRO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)[nH]n1 ZINC001278731468 794694344 /nfs/dbraw/zinc/69/43/44/794694344.db2.gz KNSGUCNREUORQA-MNOVXSKESA-N 1 0 337.380 -1.200 20 0 EAADRO CCc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)[nH]n1 ZINC001278731469 794694447 /nfs/dbraw/zinc/69/44/47/794694447.db2.gz KNSGUCNREUORQA-QWRGUYRKSA-N 1 0 337.380 -1.200 20 0 EAADRO CCc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)[nH]n1 ZINC001278731470 794694165 /nfs/dbraw/zinc/69/41/65/794694165.db2.gz KNSGUCNREUORQA-WDEREUQCSA-N 1 0 337.380 -1.200 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cccn1C ZINC001278731477 794694257 /nfs/dbraw/zinc/69/42/57/794694257.db2.gz KOIFBPICQNFWLL-LLVKDONJSA-N 1 0 337.380 -1.401 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cccn1C ZINC001278731478 794695135 /nfs/dbraw/zinc/69/51/35/794695135.db2.gz KOIFBPICQNFWLL-NSHDSACASA-N 1 0 337.380 -1.401 20 0 EAADRO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)on1 ZINC001278731747 794694770 /nfs/dbraw/zinc/69/47/70/794694770.db2.gz LYCWEYUAVCHYCY-JTQLQIEISA-N 1 0 339.352 -1.443 20 0 EAADRO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)on1 ZINC001278731748 794695108 /nfs/dbraw/zinc/69/51/08/794695108.db2.gz LYCWEYUAVCHYCY-SNVBAGLBSA-N 1 0 339.352 -1.443 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)C(=O)c1cn[nH]c1 ZINC001278732612 794694950 /nfs/dbraw/zinc/69/49/50/794694950.db2.gz UJRWFUINPXQPPK-LLVKDONJSA-N 1 0 333.414 -1.676 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)C(=O)c1cn[nH]c1 ZINC001278732613 794694395 /nfs/dbraw/zinc/69/43/95/794694395.db2.gz UJRWFUINPXQPPK-NSHDSACASA-N 1 0 333.414 -1.676 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)C(=O)c1cn[nH]c1 ZINC001278732666 794694325 /nfs/dbraw/zinc/69/43/25/794694325.db2.gz VCWSZEKVTYUTRD-GFCCVEGCSA-N 1 0 345.425 -1.532 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)C(=O)c1cn[nH]c1 ZINC001278732667 794694429 /nfs/dbraw/zinc/69/44/29/794694429.db2.gz VCWSZEKVTYUTRD-LBPRGKRZSA-N 1 0 345.425 -1.532 20 0 EAADRO Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)cnn1C ZINC001278732764 794694267 /nfs/dbraw/zinc/69/42/67/794694267.db2.gz WXBFLUAOTVLXPN-GFCCVEGCSA-N 1 0 338.412 -1.224 20 0 EAADRO Cc1c(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)cnn1C ZINC001278732765 794695067 /nfs/dbraw/zinc/69/50/67/794695067.db2.gz WXBFLUAOTVLXPN-LBPRGKRZSA-N 1 0 338.412 -1.224 20 0 EAADRO Cc1noc(C)c1C(=O)N(C)C[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001278732882 794696002 /nfs/dbraw/zinc/69/60/02/794696002.db2.gz ZAOMWVCCYMUEIO-LLVKDONJSA-N 1 0 348.425 -1.137 20 0 EAADRO Cc1noc(C)c1C(=O)N(C)C[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001278732883 794696458 /nfs/dbraw/zinc/69/64/58/794696458.db2.gz ZAOMWVCCYMUEIO-NSHDSACASA-N 1 0 348.425 -1.137 20 0 EAADRO CNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC(=O)NC2=O)CCOCC1 ZINC001278733539 794696502 /nfs/dbraw/zinc/69/65/02/794696502.db2.gz IWJZWLGPTGBRKG-JTQLQIEISA-N 1 0 340.380 -1.960 20 0 EAADRO CNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CCOCC1 ZINC001278733540 794695764 /nfs/dbraw/zinc/69/57/64/794695764.db2.gz IWJZWLGPTGBRKG-SNVBAGLBSA-N 1 0 340.380 -1.960 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)C(C)(C)C ZINC001278736749 794695794 /nfs/dbraw/zinc/69/57/94/794695794.db2.gz ABIYZFLQIMQPAC-NXEZZACHSA-N 1 0 344.412 -1.145 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(=O)C(C)(C)C ZINC001278736750 794696554 /nfs/dbraw/zinc/69/65/54/794696554.db2.gz ABIYZFLQIMQPAC-UWVGGRQHSA-N 1 0 344.412 -1.145 20 0 EAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)C(C)(C)C ZINC001278736751 794695782 /nfs/dbraw/zinc/69/57/82/794695782.db2.gz ABIYZFLQIMQPAC-VHSXEESVSA-N 1 0 344.412 -1.145 20 0 EAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(=O)C(C)(C)C ZINC001278736752 794695970 /nfs/dbraw/zinc/69/59/70/794695970.db2.gz ABIYZFLQIMQPAC-ZJUUUORDSA-N 1 0 344.412 -1.145 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)CC(F)(F)F ZINC001278736771 794695893 /nfs/dbraw/zinc/69/58/93/794695893.db2.gz AIUOFFGTSZOOHU-MRVPVSSYSA-N 1 0 335.348 -1.103 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)CC(F)(F)F ZINC001278736772 794696101 /nfs/dbraw/zinc/69/61/01/794696101.db2.gz AIUOFFGTSZOOHU-QMMMGPOBSA-N 1 0 335.348 -1.103 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)C1=COCCC1 ZINC001278736779 794695699 /nfs/dbraw/zinc/69/56/99/794695699.db2.gz ALFMHVBUVOEYJZ-GFCCVEGCSA-N 1 0 335.426 -1.361 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)C1=COCCC1 ZINC001278736780 794696127 /nfs/dbraw/zinc/69/61/27/794696127.db2.gz ALFMHVBUVOEYJZ-LBPRGKRZSA-N 1 0 335.426 -1.361 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N(C)c1ccccc1)C(=O)CC(N)=O ZINC001278737147 794696564 /nfs/dbraw/zinc/69/65/64/794696564.db2.gz IJPTVVGXZXFLNV-CYBMUJFWSA-N 1 0 336.392 -1.066 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N(C)c1ccccc1)C(=O)CC(N)=O ZINC001278737148 794696312 /nfs/dbraw/zinc/69/63/12/794696312.db2.gz IJPTVVGXZXFLNV-ZDUSSCGKSA-N 1 0 336.392 -1.066 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001278737215 794695725 /nfs/dbraw/zinc/69/57/25/794695725.db2.gz JLJYCIOJACDIOI-NWDGAFQWSA-N 1 0 339.396 -1.002 20 0 EAADRO Cc1noc(CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001278737216 794696207 /nfs/dbraw/zinc/69/62/07/794696207.db2.gz JLJYCIOJACDIOI-VXGBXAGGSA-N 1 0 339.396 -1.002 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCS1(=O)=O)C(=O)c1cocn1 ZINC001278737273 794695712 /nfs/dbraw/zinc/69/57/12/794695712.db2.gz KQQJYNZSBFPSDF-LLVKDONJSA-N 1 0 346.409 -1.267 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O)C(=O)c1cocn1 ZINC001278737274 794695959 /nfs/dbraw/zinc/69/59/59/794695959.db2.gz KQQJYNZSBFPSDF-NSHDSACASA-N 1 0 346.409 -1.267 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)C(=O)CC(N)=O ZINC001278737377 794695927 /nfs/dbraw/zinc/69/59/27/794695927.db2.gz MOFJFMFGAVMZRR-LLVKDONJSA-N 1 0 335.426 -1.905 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)C(=O)CC(N)=O ZINC001278737378 794695953 /nfs/dbraw/zinc/69/59/53/794695953.db2.gz MOFJFMFGAVMZRR-NSHDSACASA-N 1 0 335.426 -1.905 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N(C)CC(F)(F)F)C(=O)CC(N)=O ZINC001278737683 794696197 /nfs/dbraw/zinc/69/61/97/794696197.db2.gz SAFGZHOZKYYZFY-MRVPVSSYSA-N 1 0 342.318 -1.709 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N(C)CC(F)(F)F)C(=O)CC(N)=O ZINC001278737684 794696026 /nfs/dbraw/zinc/69/60/26/794696026.db2.gz SAFGZHOZKYYZFY-QMMMGPOBSA-N 1 0 342.318 -1.709 20 0 EAADRO Cc1cc(CC(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)no1 ZINC001278738059 794696371 /nfs/dbraw/zinc/69/63/71/794696371.db2.gz YSYRQXRJCFSFJG-GFCCVEGCSA-N 1 0 333.410 -1.021 20 0 EAADRO Cc1cc(CC(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)no1 ZINC001278738060 794696469 /nfs/dbraw/zinc/69/64/69/794696469.db2.gz YSYRQXRJCFSFJG-LBPRGKRZSA-N 1 0 333.410 -1.021 20 0 EAADRO Cc1ncoc1C(=O)N(C)C[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001278742790 794697958 /nfs/dbraw/zinc/69/79/58/794697958.db2.gz GPZPEEPRDABRFO-JTQLQIEISA-N 1 0 334.398 -1.445 20 0 EAADRO Cc1ncoc1C(=O)N(C)C[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001278742791 794697703 /nfs/dbraw/zinc/69/77/03/794697703.db2.gz GPZPEEPRDABRFO-SNVBAGLBSA-N 1 0 334.398 -1.445 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CN(C)CCO1 ZINC001278742874 794697965 /nfs/dbraw/zinc/69/79/65/794697965.db2.gz HVNUCVRNAOHVOD-CABCVRRESA-N 1 0 339.440 -1.298 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CN(C)CCO1 ZINC001278742875 794697655 /nfs/dbraw/zinc/69/76/55/794697655.db2.gz HVNUCVRNAOHVOD-GJZGRUSLSA-N 1 0 339.440 -1.298 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1CN(C)CCO1 ZINC001278742876 794697691 /nfs/dbraw/zinc/69/76/91/794697691.db2.gz HVNUCVRNAOHVOD-HUUCEWRRSA-N 1 0 339.440 -1.298 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1CN(C)CCO1 ZINC001278742877 794697866 /nfs/dbraw/zinc/69/78/66/794697866.db2.gz HVNUCVRNAOHVOD-LSDHHAIUSA-N 1 0 339.440 -1.298 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1cc[nH]c(=O)c1 ZINC001278744111 794698066 /nfs/dbraw/zinc/69/80/66/794698066.db2.gz SADRLAGRUHHFPP-GFCCVEGCSA-N 1 0 337.380 -1.165 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1cc[nH]c(=O)c1 ZINC001278744113 794697594 /nfs/dbraw/zinc/69/75/94/794697594.db2.gz SADRLAGRUHHFPP-LBPRGKRZSA-N 1 0 337.380 -1.165 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001278744419 794697175 /nfs/dbraw/zinc/69/71/75/794697175.db2.gz UFJODEBDKUWIKD-CHWSQXEVSA-N 1 0 343.428 -2.249 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001278744420 794697719 /nfs/dbraw/zinc/69/77/19/794697719.db2.gz UFJODEBDKUWIKD-OLZOCXBDSA-N 1 0 343.428 -2.249 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001278744421 794697815 /nfs/dbraw/zinc/69/78/15/794697815.db2.gz UFJODEBDKUWIKD-QWHCGFSZSA-N 1 0 343.428 -2.249 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001278744422 794697410 /nfs/dbraw/zinc/69/74/10/794697410.db2.gz UFJODEBDKUWIKD-STQMWFEESA-N 1 0 343.428 -2.249 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1ccncc1F ZINC001278745158 794697477 /nfs/dbraw/zinc/69/74/77/794697477.db2.gz ZOFJKHYXGCKVMY-JTQLQIEISA-N 1 0 348.400 -1.208 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1ccncc1F ZINC001278745161 794697390 /nfs/dbraw/zinc/69/73/90/794697390.db2.gz ZOFJKHYXGCKVMY-SNVBAGLBSA-N 1 0 348.400 -1.208 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@H]2C[N@H+](CCO)CCC2(F)F)C1=O ZINC001278747354 794698050 /nfs/dbraw/zinc/69/80/50/794698050.db2.gz LDYMYGPRERXWMF-JTQLQIEISA-N 1 0 348.350 -1.054 20 0 EAADRO CN1C(=O)CN(CC(=O)NC[C@@H]2C[N@H+](CCO)CCC2(F)F)C1=O ZINC001278747355 794698018 /nfs/dbraw/zinc/69/80/18/794698018.db2.gz LDYMYGPRERXWMF-SNVBAGLBSA-N 1 0 348.350 -1.054 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCC1(F)F ZINC001278747432 794697777 /nfs/dbraw/zinc/69/77/77/794697777.db2.gz NARFUBXXXNAZEV-GHMZBOCLSA-N 1 0 345.350 -1.197 20 0 EAADRO NC(=O)C(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCC1(F)F ZINC001278747433 794696961 /nfs/dbraw/zinc/69/69/61/794696961.db2.gz NARFUBXXXNAZEV-MNOVXSKESA-N 1 0 345.350 -1.197 20 0 EAADRO NC(=O)C(=O)NC[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCC1(F)F ZINC001278747434 794698034 /nfs/dbraw/zinc/69/80/34/794698034.db2.gz NARFUBXXXNAZEV-QWRGUYRKSA-N 1 0 345.350 -1.197 20 0 EAADRO NC(=O)C(=O)NC[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCC1(F)F ZINC001278747435 794697248 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EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)n1 ZINC001278748797 794697794 /nfs/dbraw/zinc/69/77/94/794697794.db2.gz DAJMXGKRYVLJCE-VXGBXAGGSA-N 1 0 340.384 -1.588 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)c1cnnn1C ZINC001278748994 794697434 /nfs/dbraw/zinc/69/74/34/794697434.db2.gz FTXDZVUIONZYQS-GFCCVEGCSA-N 1 0 338.412 -1.150 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)c1cnnn1C ZINC001278748996 794697609 /nfs/dbraw/zinc/69/76/09/794697609.db2.gz FTXDZVUIONZYQS-LBPRGKRZSA-N 1 0 338.412 -1.150 20 0 EAADRO CCNC(=O)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001278749008 794697033 /nfs/dbraw/zinc/69/70/33/794697033.db2.gz GDRTXUZJNLPKRY-NEPJUHHUSA-N 1 0 349.453 -1.644 20 0 EAADRO CCNC(=O)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001278749009 794697338 /nfs/dbraw/zinc/69/73/38/794697338.db2.gz GDRTXUZJNLPKRY-NWDGAFQWSA-N 1 0 349.453 -1.644 20 0 EAADRO CCNC(=O)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001278749010 794697649 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EAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CN1CCOCC1 ZINC001278749400 794697617 /nfs/dbraw/zinc/69/76/17/794697617.db2.gz JENWCUPLZYKLGK-RYUDHWBXSA-N 1 0 342.396 -2.467 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CN1CCOCC1 ZINC001278749401 794697536 /nfs/dbraw/zinc/69/75/36/794697536.db2.gz JENWCUPLZYKLGK-VXGBXAGGSA-N 1 0 342.396 -2.467 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCn1cccn1)C(=O)CN1CCOCC1 ZINC001278749410 794696892 /nfs/dbraw/zinc/69/68/92/794696892.db2.gz JFQUKSWUOSAHPC-AWEZNQCLSA-N 1 0 325.413 -1.376 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCn1cccn1)C(=O)CN1CCOCC1 ZINC001278749411 794697936 /nfs/dbraw/zinc/69/79/36/794697936.db2.gz JFQUKSWUOSAHPC-CQSZACIVSA-N 1 0 325.413 -1.376 20 0 EAADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)n1cncn1 ZINC001278750137 794697022 /nfs/dbraw/zinc/69/70/22/794697022.db2.gz ONJMRLKMQMYSAW-GHMZBOCLSA-N 1 0 333.414 -1.707 20 0 EAADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)n1cncn1 ZINC001278750140 794697288 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CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)CC1OCCCO1 ZINC001278750430 794699620 /nfs/dbraw/zinc/69/96/20/794699620.db2.gz QAQBXPFFHDJQAQ-NSHDSACASA-N 1 0 338.426 -1.407 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1cnnn1C ZINC001278750443 794699084 /nfs/dbraw/zinc/69/90/84/794699084.db2.gz QHXJDJZBVPZHSE-JTQLQIEISA-N 1 0 338.368 -2.013 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1cnnn1C ZINC001278750444 794699070 /nfs/dbraw/zinc/69/90/70/794699070.db2.gz QHXJDJZBVPZHSE-SNVBAGLBSA-N 1 0 338.368 -2.013 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1cncnc1 ZINC001278750447 794699350 /nfs/dbraw/zinc/69/93/50/794699350.db2.gz QLYLKTWRRDWSKH-LLVKDONJSA-N 1 0 331.398 -1.952 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1cncnc1 ZINC001278750448 794699305 /nfs/dbraw/zinc/69/93/05/794699305.db2.gz QLYLKTWRRDWSKH-NSHDSACASA-N 1 0 331.398 -1.952 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1cncnc1 ZINC001278750583 794698696 /nfs/dbraw/zinc/69/86/96/794698696.db2.gz RGGLQJPCZQWMCU-GFCCVEGCSA-N 1 0 335.364 -1.352 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1cncnc1 ZINC001278750584 794699400 /nfs/dbraw/zinc/69/94/00/794699400.db2.gz RGGLQJPCZQWMCU-LBPRGKRZSA-N 1 0 335.364 -1.352 20 0 EAADRO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)ncn1 ZINC001278750789 794698746 /nfs/dbraw/zinc/69/87/46/794698746.db2.gz UBQCHAGHAALPES-LLVKDONJSA-N 1 0 330.410 -1.148 20 0 EAADRO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)ncn1 ZINC001278750790 794699630 /nfs/dbraw/zinc/69/96/30/794699630.db2.gz UBQCHAGHAALPES-NSHDSACASA-N 1 0 330.410 -1.148 20 0 EAADRO Cc1ccnc(C(=O)N(C)C[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001278750989 794699166 /nfs/dbraw/zinc/69/91/66/794699166.db2.gz VSVBWUCTXPMRIU-GFCCVEGCSA-N 1 0 349.391 -1.043 20 0 EAADRO Cc1ccnc(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001278750990 794699037 /nfs/dbraw/zinc/69/90/37/794699037.db2.gz VSVBWUCTXPMRIU-LBPRGKRZSA-N 1 0 349.391 -1.043 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752500 794699249 /nfs/dbraw/zinc/69/92/49/794699249.db2.gz HCACXWUDAHVWEK-BLLLJJGKSA-N 1 0 336.392 -1.037 20 0 EAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752501 794698700 /nfs/dbraw/zinc/69/87/00/794698700.db2.gz HCACXWUDAHVWEK-LRDDRELGSA-N 1 0 336.392 -1.037 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752502 794699406 /nfs/dbraw/zinc/69/94/06/794699406.db2.gz HCACXWUDAHVWEK-MLGOLLRUSA-N 1 0 336.392 -1.037 20 0 EAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752503 794699526 /nfs/dbraw/zinc/69/95/26/794699526.db2.gz HCACXWUDAHVWEK-WBMJQRKESA-N 1 0 336.392 -1.037 20 0 EAADRO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278752520 794699473 /nfs/dbraw/zinc/69/94/73/794699473.db2.gz HLLSMUHXBIFACU-HZMBPMFUSA-N 1 0 326.353 -2.519 20 0 EAADRO 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ZINC001278768322 794705767 /nfs/dbraw/zinc/70/57/67/794705767.db2.gz ULIYALHSQJJOTL-RYUDHWBXSA-N 1 0 341.412 -2.053 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCNC1=O ZINC001278768323 794706223 /nfs/dbraw/zinc/70/62/23/794706223.db2.gz ULIYALHSQJJOTL-VXGBXAGGSA-N 1 0 341.412 -2.053 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)c1cc2n(n1)CCO2 ZINC001278768414 794705680 /nfs/dbraw/zinc/70/56/80/794705680.db2.gz WETVIFKLLRQJCH-LLVKDONJSA-N 1 0 335.368 -1.410 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)c1cc2n(n1)CCO2 ZINC001278768415 794708284 /nfs/dbraw/zinc/70/82/84/794708284.db2.gz WETVIFKLLRQJCH-NSHDSACASA-N 1 0 335.368 -1.410 20 0 EAADRO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001278768470 794707396 /nfs/dbraw/zinc/70/73/96/794707396.db2.gz XGGATCSOILTHST-LLVKDONJSA-N 1 0 347.441 -1.700 20 0 EAADRO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001278768471 794707534 /nfs/dbraw/zinc/70/75/34/794707534.db2.gz XGGATCSOILTHST-NSHDSACASA-N 1 0 347.441 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ZINC001278771049 794708007 /nfs/dbraw/zinc/70/80/07/794708007.db2.gz ISJLCKHXJKAFEL-LRDDRELGSA-N 1 0 337.376 -1.309 20 0 EAADRO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C1=CCOCC1 ZINC001278771050 794708117 /nfs/dbraw/zinc/70/81/17/794708117.db2.gz ISJLCKHXJKAFEL-MLGOLLRUSA-N 1 0 337.376 -1.309 20 0 EAADRO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C1=CCOCC1 ZINC001278771051 794708145 /nfs/dbraw/zinc/70/81/45/794708145.db2.gz ISJLCKHXJKAFEL-WBMJQRKESA-N 1 0 337.376 -1.309 20 0 EAADRO CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278771334 794707926 /nfs/dbraw/zinc/70/79/26/794707926.db2.gz MORJBAVHVDRCEZ-BDJLRTHQSA-N 1 0 349.391 -1.125 20 0 EAADRO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278771335 794707877 /nfs/dbraw/zinc/70/78/77/794707877.db2.gz MORJBAVHVDRCEZ-BZNIZROVSA-N 1 0 349.391 -1.125 20 0 EAADRO CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278771336 794707337 /nfs/dbraw/zinc/70/73/37/794707337.db2.gz MORJBAVHVDRCEZ-MEDUHNTESA-N 1 0 349.391 -1.125 20 0 EAADRO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278771337 794707541 /nfs/dbraw/zinc/70/75/41/794707541.db2.gz MORJBAVHVDRCEZ-ZBEGNZNMSA-N 1 0 349.391 -1.125 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCC1(F)F ZINC001278773443 794707641 /nfs/dbraw/zinc/70/76/41/794707641.db2.gz DGMOSPUHPSNWFR-NXEZZACHSA-N 1 0 343.396 -1.010 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCC1(F)F ZINC001278773444 794707647 /nfs/dbraw/zinc/70/76/47/794707647.db2.gz DGMOSPUHPSNWFR-UWVGGRQHSA-N 1 0 343.396 -1.010 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCC1(F)F ZINC001278773445 794707559 /nfs/dbraw/zinc/70/75/59/794707559.db2.gz DGMOSPUHPSNWFR-VHSXEESVSA-N 1 0 343.396 -1.010 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCC1(F)F ZINC001278773446 794707705 /nfs/dbraw/zinc/70/77/05/794707705.db2.gz DGMOSPUHPSNWFR-ZJUUUORDSA-N 1 0 343.396 -1.010 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ccsn1 ZINC001278773597 794707696 /nfs/dbraw/zinc/70/76/96/794707696.db2.gz HOGNRMSFOFVSQW-SECBINFHSA-N 1 0 341.393 -1.283 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ccsn1 ZINC001278773598 794707579 /nfs/dbraw/zinc/70/75/79/794707579.db2.gz HOGNRMSFOFVSQW-VIFPVBQESA-N 1 0 341.393 -1.283 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC[C@@H]1CCOC1)C(=O)Cn1ncn(C)c1=O ZINC001278773655 794707153 /nfs/dbraw/zinc/70/71/53/794707153.db2.gz IMOLEESUSSQHDG-CHWSQXEVSA-N 1 0 341.412 -1.583 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC[C@@H]1CCOC1)C(=O)Cn1ncn(C)c1=O ZINC001278773656 794708038 /nfs/dbraw/zinc/70/80/38/794708038.db2.gz IMOLEESUSSQHDG-OLZOCXBDSA-N 1 0 341.412 -1.583 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC[C@H]1CCOC1)C(=O)Cn1ncn(C)c1=O ZINC001278773657 794707959 /nfs/dbraw/zinc/70/79/59/794707959.db2.gz IMOLEESUSSQHDG-QWHCGFSZSA-N 1 0 341.412 -1.583 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC[C@H]1CCOC1)C(=O)Cn1ncn(C)c1=O ZINC001278773658 794707591 /nfs/dbraw/zinc/70/75/91/794707591.db2.gz IMOLEESUSSQHDG-STQMWFEESA-N 1 0 341.412 -1.583 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C(=O)NCC(F)F ZINC001278773955 794707296 /nfs/dbraw/zinc/70/72/96/794707296.db2.gz NXOKUVUMUMVSIV-MRVPVSSYSA-N 1 0 345.368 -2.179 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C(=O)NCC(F)F ZINC001278773956 794707303 /nfs/dbraw/zinc/70/73/03/794707303.db2.gz NXOKUVUMUMVSIV-QMMMGPOBSA-N 1 0 345.368 -2.179 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)C(=O)NCC(F)F ZINC001278774059 794708307 /nfs/dbraw/zinc/70/83/07/794708307.db2.gz QFQKQMPMWLLTAQ-LLVKDONJSA-N 1 0 347.366 -1.247 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)C(=O)NCC(F)F ZINC001278774060 794707663 /nfs/dbraw/zinc/70/76/63/794707663.db2.gz QFQKQMPMWLLTAQ-NSHDSACASA-N 1 0 347.366 -1.247 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001278774099 794708263 /nfs/dbraw/zinc/70/82/63/794708263.db2.gz RCCZEYITYGJBNN-GHMZBOCLSA-N 1 0 335.426 -2.034 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001278774100 794708098 /nfs/dbraw/zinc/70/80/98/794708098.db2.gz RCCZEYITYGJBNN-MNOVXSKESA-N 1 0 335.426 -2.034 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001278774101 794707668 /nfs/dbraw/zinc/70/76/68/794707668.db2.gz RCCZEYITYGJBNN-QWRGUYRKSA-N 1 0 335.426 -2.034 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001278774102 794707593 /nfs/dbraw/zinc/70/75/93/794707593.db2.gz RCCZEYITYGJBNN-WDEREUQCSA-N 1 0 335.426 -2.034 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)CN1CCCCC1=O ZINC001278774119 794707941 /nfs/dbraw/zinc/70/79/41/794707941.db2.gz RMPVWPRZPKOIQC-GFCCVEGCSA-N 1 0 349.453 -1.548 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)CN1CCCCC1=O ZINC001278774120 794707409 /nfs/dbraw/zinc/70/74/09/794707409.db2.gz RMPVWPRZPKOIQC-LBPRGKRZSA-N 1 0 349.453 -1.548 20 0 EAADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCCC1=O)S(C)(=O)=O ZINC001278774213 794707445 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349.453 -1.644 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001278774223 794708726 /nfs/dbraw/zinc/70/87/26/794708726.db2.gz TVUMHCYAIHZNNC-RISCZKNCSA-N 1 0 349.453 -1.644 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001278774224 794709718 /nfs/dbraw/zinc/70/97/18/794709718.db2.gz TVUMHCYAIHZNNC-SMDDNHRTSA-N 1 0 349.453 -1.644 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCC(F)(F)F)C(=O)Cn1ncn(C)c1=O ZINC001278774561 794708819 /nfs/dbraw/zinc/70/88/19/794708819.db2.gz WSTMYHHAAGEEOH-SECBINFHSA-N 1 0 339.318 -1.057 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCC(F)(F)F)C(=O)Cn1ncn(C)c1=O ZINC001278774562 794708625 /nfs/dbraw/zinc/70/86/25/794708625.db2.gz WSTMYHHAAGEEOH-VIFPVBQESA-N 1 0 339.318 -1.057 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)C(=O)NCC(F)F ZINC001278774565 794709475 /nfs/dbraw/zinc/70/94/75/794709475.db2.gz WULLBPXXLVXZLB-SECBINFHSA-N 1 0 334.327 -1.895 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)C(=O)NCC(F)F ZINC001278774566 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334.327 -1.343 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCO[C@@H]1CC1(F)F)C(=O)c1nnn(C)n1 ZINC001278792165 794713448 /nfs/dbraw/zinc/71/34/48/794713448.db2.gz RIETWVBHBWGWJY-DTWKUNHWSA-N 1 0 334.327 -1.343 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCO[C@H]1CC1(F)F)C(=O)c1nnn(C)n1 ZINC001278792166 794713752 /nfs/dbraw/zinc/71/37/52/794713752.db2.gz RIETWVBHBWGWJY-IUCAKERBSA-N 1 0 334.327 -1.343 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCO[C@@H]1CC1(F)F)C(=O)c1nnn(C)n1 ZINC001278792167 794714017 /nfs/dbraw/zinc/71/40/17/794714017.db2.gz RIETWVBHBWGWJY-RKDXNWHRSA-N 1 0 334.327 -1.343 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1c[nH]c(=O)n1C ZINC001278792282 794714356 /nfs/dbraw/zinc/71/43/56/794714356.db2.gz SZNNMFUCEPYBIX-JTQLQIEISA-N 1 0 340.384 -1.827 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1c[nH]c(=O)n1C ZINC001278792291 794714220 /nfs/dbraw/zinc/71/42/20/794714220.db2.gz SZNNMFUCEPYBIX-SNVBAGLBSA-N 1 0 340.384 -1.827 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCNC1=O ZINC001278792525 794713387 /nfs/dbraw/zinc/71/33/87/794713387.db2.gz UHWRXRLJVFBSEY-NEPJUHHUSA-N 1 0 326.397 -1.846 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCNC1=O ZINC001278792544 794713453 /nfs/dbraw/zinc/71/34/53/794713453.db2.gz UHWRXRLJVFBSEY-NWDGAFQWSA-N 1 0 326.397 -1.846 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCNC1=O ZINC001278792545 794713671 /nfs/dbraw/zinc/71/36/71/794713671.db2.gz UHWRXRLJVFBSEY-RYUDHWBXSA-N 1 0 326.397 -1.846 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCNC1=O ZINC001278792546 794713278 /nfs/dbraw/zinc/71/32/78/794713278.db2.gz UHWRXRLJVFBSEY-VXGBXAGGSA-N 1 0 326.397 -1.846 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1nnn(C)n1 ZINC001278792793 794713666 /nfs/dbraw/zinc/71/36/66/794713666.db2.gz WSHNPJSHZQMGOU-SECBINFHSA-N 1 0 339.356 -2.618 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1nnn(C)n1 ZINC001278792794 794714374 /nfs/dbraw/zinc/71/43/74/794714374.db2.gz WSHNPJSHZQMGOU-VIFPVBQESA-N 1 0 339.356 -2.618 20 0 EAADRO CCOCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001278794447 794714093 /nfs/dbraw/zinc/71/40/93/794714093.db2.gz BAAIJWSRLUVPKT-DOMZBBRYSA-N 1 0 328.413 -1.010 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001278794448 794714189 /nfs/dbraw/zinc/71/41/89/794714189.db2.gz BAAIJWSRLUVPKT-IUODEOHRSA-N 1 0 328.413 -1.010 20 0 EAADRO CCOCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001278794449 794713401 /nfs/dbraw/zinc/71/34/01/794713401.db2.gz BAAIJWSRLUVPKT-SWLSCSKDSA-N 1 0 328.413 -1.010 20 0 EAADRO CCOCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001278794450 794713440 /nfs/dbraw/zinc/71/34/40/794713440.db2.gz BAAIJWSRLUVPKT-WFASDCNBSA-N 1 0 328.413 -1.010 20 0 EAADRO O=C(NC[C@@]1(O)CC[N@H+](CCOCC(F)F)C1)[C@H]1CCNC1=O ZINC001278795282 794713347 /nfs/dbraw/zinc/71/33/47/794713347.db2.gz MRVXQDJBYRZTHT-HZMBPMFUSA-N 1 0 335.351 -1.043 20 0 EAADRO O=C(NC[C@]1(O)CC[N@H+](CCOCC(F)F)C1)[C@H]1CCNC1=O ZINC001278795284 794714360 /nfs/dbraw/zinc/71/43/60/794714360.db2.gz MRVXQDJBYRZTHT-IINYFYTJSA-N 1 0 335.351 -1.043 20 0 EAADRO O=C(NC[C@]1(O)CC[N@H+](CCOCC(F)F)C1)[C@@H]1CCNC1=O ZINC001278795285 794713733 /nfs/dbraw/zinc/71/37/33/794713733.db2.gz MRVXQDJBYRZTHT-QMTHXVAHSA-N 1 0 335.351 -1.043 20 0 EAADRO O=C(NC[C@@]1(O)CC[N@H+](CCOCC(F)F)C1)[C@@H]1CCNC1=O ZINC001278795287 794714312 /nfs/dbraw/zinc/71/43/12/794714312.db2.gz MRVXQDJBYRZTHT-YGRLFVJLSA-N 1 0 335.351 -1.043 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278796252 794713294 /nfs/dbraw/zinc/71/32/94/794713294.db2.gz BNBQYHZZRWXLPD-LLVKDONJSA-N 1 0 340.384 -2.727 20 0 EAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278796253 794714298 /nfs/dbraw/zinc/71/42/98/794714298.db2.gz BNBQYHZZRWXLPD-NSHDSACASA-N 1 0 340.384 -2.727 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001278796282 794713691 /nfs/dbraw/zinc/71/36/91/794713691.db2.gz BXNCVDVBQGNPBA-NEPJUHHUSA-N 1 0 328.413 -1.602 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001278796283 794714157 /nfs/dbraw/zinc/71/41/57/794714157.db2.gz BXNCVDVBQGNPBA-NWDGAFQWSA-N 1 0 328.413 -1.602 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001278796284 794714347 /nfs/dbraw/zinc/71/43/47/794714347.db2.gz BXNCVDVBQGNPBA-RYUDHWBXSA-N 1 0 328.413 -1.602 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001278796285 794713331 /nfs/dbraw/zinc/71/33/31/794713331.db2.gz BXNCVDVBQGNPBA-VXGBXAGGSA-N 1 0 328.413 -1.602 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(-c2cnn(C)c2)no1)C(=O)C(N)=O ZINC001278796659 794714167 /nfs/dbraw/zinc/71/41/67/794714167.db2.gz FWAUBGCCMJVLLX-JTQLQIEISA-N 1 0 336.352 -1.531 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1cc(-c2cnn(C)c2)no1)C(=O)C(N)=O ZINC001278796660 794714422 /nfs/dbraw/zinc/71/44/22/794714422.db2.gz FWAUBGCCMJVLLX-SNVBAGLBSA-N 1 0 336.352 -1.531 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1csc(=O)[nH]1 ZINC001278796671 794713415 /nfs/dbraw/zinc/71/34/15/794713415.db2.gz FZLWKQJGTKIBQM-HTQZYQBOSA-N 1 0 342.377 -1.324 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1csc(=O)[nH]1 ZINC001278796672 794715997 /nfs/dbraw/zinc/71/59/97/794715997.db2.gz FZLWKQJGTKIBQM-JGVFFNPUSA-N 1 0 342.377 -1.324 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1csc(=O)[nH]1 ZINC001278796673 794715750 /nfs/dbraw/zinc/71/57/50/794715750.db2.gz FZLWKQJGTKIBQM-SFYZADRCSA-N 1 0 342.377 -1.324 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1csc(=O)[nH]1 ZINC001278796674 794715032 /nfs/dbraw/zinc/71/50/32/794715032.db2.gz FZLWKQJGTKIBQM-YUMQZZPRSA-N 1 0 342.377 -1.324 20 0 EAADRO COc1cccc([C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)c1 ZINC001278796975 794715228 /nfs/dbraw/zinc/71/52/28/794715228.db2.gz HGNDMQZXRIHJJS-AAEUAGOBSA-N 1 0 325.365 -1.377 20 0 EAADRO COc1cccc([C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)c1 ZINC001278796976 794716021 /nfs/dbraw/zinc/71/60/21/794716021.db2.gz HGNDMQZXRIHJJS-DGCLKSJQSA-N 1 0 325.365 -1.377 20 0 EAADRO COc1cccc([C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)c1 ZINC001278796977 794714942 /nfs/dbraw/zinc/71/49/42/794714942.db2.gz HGNDMQZXRIHJJS-WCQYABFASA-N 1 0 325.365 -1.377 20 0 EAADRO COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)c1 ZINC001278796978 794715232 /nfs/dbraw/zinc/71/52/32/794715232.db2.gz HGNDMQZXRIHJJS-YPMHNXCESA-N 1 0 325.365 -1.377 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)c1cccs1 ZINC001278797019 794715398 /nfs/dbraw/zinc/71/53/98/794715398.db2.gz IFWGHHVQCIJXBK-NXEZZACHSA-N 1 0 342.421 -1.181 20 0 EAADRO C[C@H](NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)c1cccs1 ZINC001278797020 794715869 /nfs/dbraw/zinc/71/58/69/794715869.db2.gz IFWGHHVQCIJXBK-UWVGGRQHSA-N 1 0 342.421 -1.181 20 0 EAADRO C[C@H](NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)c1cccs1 ZINC001278797021 794715717 /nfs/dbraw/zinc/71/57/17/794715717.db2.gz IFWGHHVQCIJXBK-VHSXEESVSA-N 1 0 342.421 -1.181 20 0 EAADRO C[C@@H](NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)c1cccs1 ZINC001278797022 794714979 /nfs/dbraw/zinc/71/49/79/794714979.db2.gz IFWGHHVQCIJXBK-ZJUUUORDSA-N 1 0 342.421 -1.181 20 0 EAADRO CC(C)[C@@H](F)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001278797025 794715767 /nfs/dbraw/zinc/71/57/67/794715767.db2.gz IGNATLBGNDJMJW-CMPLNLGQSA-N 1 0 332.376 -1.059 20 0 EAADRO CC(C)[C@H](F)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001278797026 794715163 /nfs/dbraw/zinc/71/51/63/794715163.db2.gz IGNATLBGNDJMJW-JQWIXIFHSA-N 1 0 332.376 -1.059 20 0 EAADRO CC(C)[C@H](F)C(=O)N(C)C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001278797227 794715560 /nfs/dbraw/zinc/71/55/60/794715560.db2.gz IGNATLBGNDJMJW-PWSUYJOCSA-N 1 0 332.376 -1.059 20 0 EAADRO CC(C)[C@@H](F)C(=O)N(C)C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001278797228 794715880 /nfs/dbraw/zinc/71/58/80/794715880.db2.gz IGNATLBGNDJMJW-ZYHUDNBSSA-N 1 0 332.376 -1.059 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001278797245 794715784 /nfs/dbraw/zinc/71/57/84/794715784.db2.gz IQWNKGVYQLEHEP-CHWSQXEVSA-N 1 0 340.424 -1.362 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001278797246 794716026 /nfs/dbraw/zinc/71/60/26/794716026.db2.gz IQWNKGVYQLEHEP-QWHCGFSZSA-N 1 0 340.424 -1.362 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCN(C)C1=O ZINC001278797255 794715046 /nfs/dbraw/zinc/71/50/46/794715046.db2.gz IVHNQCWCBVBKJO-CHWSQXEVSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCN(C)C1=O ZINC001278797256 794714993 /nfs/dbraw/zinc/71/49/93/794714993.db2.gz IVHNQCWCBVBKJO-OLZOCXBDSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCN(C)C1=O ZINC001278797257 794715611 /nfs/dbraw/zinc/71/56/11/794715611.db2.gz IVHNQCWCBVBKJO-QWHCGFSZSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCN(C)C1=O ZINC001278797258 794714949 /nfs/dbraw/zinc/71/49/49/794714949.db2.gz IVHNQCWCBVBKJO-STQMWFEESA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001278797311 794715792 /nfs/dbraw/zinc/71/57/92/794715792.db2.gz JTLSDLWNVBDCHB-DCQANWLSSA-N 1 0 340.380 -2.161 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001278797317 794715664 /nfs/dbraw/zinc/71/56/64/794715664.db2.gz JTLSDLWNVBDCHB-MEWQQHAOSA-N 1 0 340.380 -2.161 20 0 EAADRO CC(C)N(C(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)C(C)C ZINC001278797667 794715853 /nfs/dbraw/zinc/71/58/53/794715853.db2.gz KPIYLNXVCRKCJD-NEPJUHHUSA-N 1 0 330.429 -1.086 20 0 EAADRO CC(C)N(C(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)C(C)C ZINC001278797668 794715200 /nfs/dbraw/zinc/71/52/00/794715200.db2.gz KPIYLNXVCRKCJD-NWDGAFQWSA-N 1 0 330.429 -1.086 20 0 EAADRO CC(C)N(C(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)C(C)C ZINC001278797669 794714852 /nfs/dbraw/zinc/71/48/52/794714852.db2.gz KPIYLNXVCRKCJD-RYUDHWBXSA-N 1 0 330.429 -1.086 20 0 EAADRO CC(C)N(C(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)C(C)C ZINC001278797670 794715898 /nfs/dbraw/zinc/71/58/98/794715898.db2.gz KPIYLNXVCRKCJD-VXGBXAGGSA-N 1 0 330.429 -1.086 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCCCCC1)C(=O)C(N)=O ZINC001278797685 794715379 /nfs/dbraw/zinc/71/53/79/794715379.db2.gz KZNAEJZIALDSCO-GFCCVEGCSA-N 1 0 328.413 -1.327 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCCCCC1)C(=O)C(N)=O ZINC001278797686 794715474 /nfs/dbraw/zinc/71/54/74/794715474.db2.gz KZNAEJZIALDSCO-LBPRGKRZSA-N 1 0 328.413 -1.327 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)C(N)=O ZINC001278798007 794715367 /nfs/dbraw/zinc/71/53/67/794715367.db2.gz MYGMFXRLHGAZIU-GHMZBOCLSA-N 1 0 338.368 -2.580 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)C(N)=O ZINC001278798009 794715062 /nfs/dbraw/zinc/71/50/62/794715062.db2.gz MYGMFXRLHGAZIU-MNOVXSKESA-N 1 0 338.368 -2.580 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)C(N)=O ZINC001278798010 794715567 /nfs/dbraw/zinc/71/55/67/794715567.db2.gz MYGMFXRLHGAZIU-QWRGUYRKSA-N 1 0 338.368 -2.580 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)C(N)=O ZINC001278798011 794715681 /nfs/dbraw/zinc/71/56/81/794715681.db2.gz MYGMFXRLHGAZIU-WDEREUQCSA-N 1 0 338.368 -2.580 20 0 EAADRO CN(Cc1cccs1)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278798296 794715286 /nfs/dbraw/zinc/71/52/86/794715286.db2.gz OGGMREHGKNKYCU-JTQLQIEISA-N 1 0 342.421 -1.399 20 0 EAADRO CN(Cc1cccs1)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278798300 794715677 /nfs/dbraw/zinc/71/56/77/794715677.db2.gz OGGMREHGKNKYCU-SNVBAGLBSA-N 1 0 342.421 -1.399 20 0 EAADRO CC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278798616 794715585 /nfs/dbraw/zinc/71/55/85/794715585.db2.gz QUIVSUVBKCDNAG-NEPJUHHUSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278798617 794715210 /nfs/dbraw/zinc/71/52/10/794715210.db2.gz QUIVSUVBKCDNAG-NWDGAFQWSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278798618 794715462 /nfs/dbraw/zinc/71/54/62/794715462.db2.gz QUIVSUVBKCDNAG-RYUDHWBXSA-N 1 0 328.413 -1.328 20 0 EAADRO CC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278798619 794715822 /nfs/dbraw/zinc/71/58/22/794715822.db2.gz QUIVSUVBKCDNAG-VXGBXAGGSA-N 1 0 328.413 -1.328 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@]1(F)CCOC1 ZINC001278798716 794715189 /nfs/dbraw/zinc/71/51/89/794715189.db2.gz SOAJMONFSINHRG-BXUZGUMPSA-N 1 0 332.376 -1.451 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@]1(F)CCOC1 ZINC001278798717 794715952 /nfs/dbraw/zinc/71/59/52/794715952.db2.gz SOAJMONFSINHRG-FZMZJTMJSA-N 1 0 332.376 -1.451 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@]1(F)CCOC1 ZINC001278798718 794715655 /nfs/dbraw/zinc/71/56/55/794715655.db2.gz SOAJMONFSINHRG-RISCZKNCSA-N 1 0 332.376 -1.451 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@]1(F)CCOC1 ZINC001278798719 794714830 /nfs/dbraw/zinc/71/48/30/794714830.db2.gz SOAJMONFSINHRG-SMDDNHRTSA-N 1 0 332.376 -1.451 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)Nc1cccc(F)c1)C(=O)C(N)=O ZINC001278798756 794715975 /nfs/dbraw/zinc/71/59/75/794715975.db2.gz UKKFJHZRDNLJIY-LLVKDONJSA-N 1 0 326.328 -1.342 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)Nc1cccc(F)c1)C(=O)C(N)=O ZINC001278798757 794715698 /nfs/dbraw/zinc/71/56/98/794715698.db2.gz UKKFJHZRDNLJIY-NSHDSACASA-N 1 0 326.328 -1.342 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(=O)cn2)n1 ZINC001278798788 794713540 /nfs/dbraw/zinc/71/35/40/794713540.db2.gz UTHKKVWYGSOGNS-GFCCVEGCSA-N 1 0 349.395 -1.299 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(=O)cn2)n1 ZINC001278798789 794713356 /nfs/dbraw/zinc/71/33/56/794713356.db2.gz UTHKKVWYGSOGNS-LBPRGKRZSA-N 1 0 349.395 -1.299 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001278798828 794715674 /nfs/dbraw/zinc/71/56/74/794715674.db2.gz VJJBEWUGOGEEAV-NEPJUHHUSA-N 1 0 341.412 -1.911 20 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/nfs/dbraw/zinc/71/57/75/794715775.db2.gz XEOAQODUCMVDOJ-FJJYHAOUSA-N 1 0 339.392 -1.563 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001278798937 794715658 /nfs/dbraw/zinc/71/56/58/794715658.db2.gz XEOAQODUCMVDOJ-UUIJZJDISA-N 1 0 339.392 -1.563 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCN(C)C1=O ZINC001278799002 794715266 /nfs/dbraw/zinc/71/52/66/794715266.db2.gz YLRLSFLUBFGRNW-NEPJUHHUSA-N 1 0 326.397 -1.894 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCN(C)C1=O ZINC001278799003 794715596 /nfs/dbraw/zinc/71/55/96/794715596.db2.gz YLRLSFLUBFGRNW-NWDGAFQWSA-N 1 0 326.397 -1.894 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCN(C)C1=O ZINC001278799004 794715641 /nfs/dbraw/zinc/71/56/41/794715641.db2.gz YLRLSFLUBFGRNW-RYUDHWBXSA-N 1 0 326.397 -1.894 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCN(C)C1=O ZINC001278799005 794715889 /nfs/dbraw/zinc/71/58/89/794715889.db2.gz YLRLSFLUBFGRNW-VXGBXAGGSA-N 1 0 326.397 -1.894 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)NCc1ccc(F)cc1)C(=O)C(N)=O ZINC001278799052 794715300 /nfs/dbraw/zinc/71/53/00/794715300.db2.gz ZOGSTGYARMZSMJ-GFCCVEGCSA-N 1 0 340.355 -1.664 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)NCc1ccc(F)cc1)C(=O)C(N)=O ZINC001278799053 794715215 /nfs/dbraw/zinc/71/52/15/794715215.db2.gz ZOGSTGYARMZSMJ-LBPRGKRZSA-N 1 0 340.355 -1.664 20 0 EAADRO COCCOCC[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001278799639 794715143 /nfs/dbraw/zinc/71/51/43/794715143.db2.gz FJFPPSFKCOYIDL-HNNXBMFYSA-N 1 0 342.396 -1.045 20 0 EAADRO COCCOCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001278799645 794715906 /nfs/dbraw/zinc/71/59/06/794715906.db2.gz FJFPPSFKCOYIDL-OAHLLOKOSA-N 1 0 342.396 -1.045 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC001278799732 794715328 /nfs/dbraw/zinc/71/53/28/794715328.db2.gz FUPIIHZBDHDWEP-BDJLRTHQSA-N 1 0 335.360 -1.135 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC001278799733 794715081 /nfs/dbraw/zinc/71/50/81/794715081.db2.gz FUPIIHZBDHDWEP-BZNIZROVSA-N 1 0 335.360 -1.135 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC001278799734 794715544 /nfs/dbraw/zinc/71/55/44/794715544.db2.gz FUPIIHZBDHDWEP-MEDUHNTESA-N 1 0 335.360 -1.135 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC001278799735 794715835 /nfs/dbraw/zinc/71/58/35/794715835.db2.gz FUPIIHZBDHDWEP-ZBEGNZNMSA-N 1 0 335.360 -1.135 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001278799792 794715625 /nfs/dbraw/zinc/71/56/25/794715625.db2.gz GQNSVFRRSLEIQH-GWCFXTLKSA-N 1 0 333.410 -2.151 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001278799793 794715499 /nfs/dbraw/zinc/71/54/99/794715499.db2.gz GQNSVFRRSLEIQH-GXFFZTMASA-N 1 0 333.410 -2.151 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001278799794 794715353 /nfs/dbraw/zinc/71/53/53/794715353.db2.gz GQNSVFRRSLEIQH-MFKMUULPSA-N 1 0 333.410 -2.151 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001278799795 794715420 /nfs/dbraw/zinc/71/54/20/794715420.db2.gz GQNSVFRRSLEIQH-ZWNOBZJWSA-N 1 0 333.410 -2.151 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278799846 794715515 /nfs/dbraw/zinc/71/55/15/794715515.db2.gz HUFHUKPMAGLWIO-GFCCVEGCSA-N 1 0 336.414 -2.694 20 0 EAADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278799847 794715312 /nfs/dbraw/zinc/71/53/12/794715312.db2.gz HUFHUKPMAGLWIO-LBPRGKRZSA-N 1 0 336.414 -2.694 20 0 EAADRO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001278801448 794717424 /nfs/dbraw/zinc/71/74/24/794717424.db2.gz XHCCGKPNSPVSTP-CYBMUJFWSA-N 1 0 333.410 -2.151 20 0 EAADRO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001278801449 794716596 /nfs/dbraw/zinc/71/65/96/794716596.db2.gz XHCCGKPNSPVSTP-ZDUSSCGKSA-N 1 0 333.410 -2.151 20 0 EAADRO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278801592 794717622 /nfs/dbraw/zinc/71/76/22/794717622.db2.gz YIDLOPIEEKWMAH-BMIGLBTASA-N 1 0 328.413 -1.282 20 0 EAADRO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278801593 794717175 /nfs/dbraw/zinc/71/71/75/794717175.db2.gz YIDLOPIEEKWMAH-BONVTDFDSA-N 1 0 328.413 -1.282 20 0 EAADRO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278801594 794716464 /nfs/dbraw/zinc/71/64/64/794716464.db2.gz YIDLOPIEEKWMAH-MEBBXXQBSA-N 1 0 328.413 -1.282 20 0 EAADRO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278801595 794716889 /nfs/dbraw/zinc/71/68/89/794716889.db2.gz YIDLOPIEEKWMAH-ZUZCIYMTSA-N 1 0 328.413 -1.282 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@]1(C)CCNC1=O ZINC001278803995 794717247 /nfs/dbraw/zinc/71/72/47/794717247.db2.gz KKYALSIVQLMHAD-BLLLJJGKSA-N 1 0 340.424 -1.552 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@@]1(C)CCNC1=O ZINC001278803996 794716391 /nfs/dbraw/zinc/71/63/91/794716391.db2.gz KKYALSIVQLMHAD-LRDDRELGSA-N 1 0 340.424 -1.552 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@]1(C)CCNC1=O ZINC001278803997 794716418 /nfs/dbraw/zinc/71/64/18/794716418.db2.gz KKYALSIVQLMHAD-MLGOLLRUSA-N 1 0 340.424 -1.552 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@@]1(C)CCNC1=O ZINC001278803998 794717038 /nfs/dbraw/zinc/71/70/38/794717038.db2.gz KKYALSIVQLMHAD-WBMJQRKESA-N 1 0 340.424 -1.552 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001278804013 794716289 /nfs/dbraw/zinc/71/62/89/794716289.db2.gz KMWQAOKYVVKDTF-AGIUHOORSA-N 1 0 338.412 -1.411 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001278804014 794717479 /nfs/dbraw/zinc/71/74/79/794717479.db2.gz KMWQAOKYVVKDTF-FRRDWIJNSA-N 1 0 338.412 -1.411 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001278809313 794716442 /nfs/dbraw/zinc/71/64/42/794716442.db2.gz CAAMYDBSQDKSRQ-HZMBPMFUSA-N 1 0 326.397 -1.671 20 0 EAADRO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001278809314 794717540 /nfs/dbraw/zinc/71/75/40/794717540.db2.gz CAAMYDBSQDKSRQ-IINYFYTJSA-N 1 0 326.397 -1.671 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001278809315 794716546 /nfs/dbraw/zinc/71/65/46/794716546.db2.gz CAAMYDBSQDKSRQ-QMTHXVAHSA-N 1 0 326.397 -1.671 20 0 EAADRO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001278809316 794716996 /nfs/dbraw/zinc/71/69/96/794716996.db2.gz CAAMYDBSQDKSRQ-YGRLFVJLSA-N 1 0 326.397 -1.671 20 0 EAADRO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278810118 794716674 /nfs/dbraw/zinc/71/66/74/794716674.db2.gz JRUFFYZCHGDGDE-BLLLJJGKSA-N 1 0 349.391 -1.450 20 0 EAADRO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278810120 794716976 /nfs/dbraw/zinc/71/69/76/794716976.db2.gz JRUFFYZCHGDGDE-LRDDRELGSA-N 1 0 349.391 -1.450 20 0 EAADRO 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/nfs/dbraw/zinc/71/85/00/794718500.db2.gz MKRYOFVPXBRSBO-LBPRGKRZSA-N 1 0 337.380 -1.490 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001278810547 794718318 /nfs/dbraw/zinc/71/83/18/794718318.db2.gz NAIBBHRCPYJGGC-DGAVXFQQSA-N 1 0 340.424 -1.012 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001278810548 794719259 /nfs/dbraw/zinc/71/92/59/794719259.db2.gz NAIBBHRCPYJGGC-SYQHCUMBSA-N 1 0 340.424 -1.012 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001278810563 794719142 /nfs/dbraw/zinc/71/91/42/794719142.db2.gz NLMJJAOTGHYYRU-SFYZADRCSA-N 1 0 340.302 -1.054 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001278810564 794718124 /nfs/dbraw/zinc/71/81/24/794718124.db2.gz NLMJJAOTGHYYRU-YUMQZZPRSA-N 1 0 340.302 -1.054 20 0 EAADRO Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)C3CC(=O)NC(=O)C3)C2)cn1 ZINC001278810663 794718241 /nfs/dbraw/zinc/71/82/41/794718241.db2.gz 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CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001278811472 794718910 /nfs/dbraw/zinc/71/89/10/794718910.db2.gz UXLOCTUQFILKML-LOWDOPEQSA-N 1 0 349.453 -1.488 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001278811474 794718157 /nfs/dbraw/zinc/71/81/57/794718157.db2.gz UXLOCTUQFILKML-LPWJVIDDSA-N 1 0 349.453 -1.488 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCn3cccn3)C2)CC1 ZINC001278811681 794718349 /nfs/dbraw/zinc/71/83/49/794718349.db2.gz WZLHZPJHQOZXKC-HNNXBMFYSA-N 1 0 335.408 -1.038 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@]2(O)CC[N@H+](CCn3cccn3)C2)CC1 ZINC001278811683 794718027 /nfs/dbraw/zinc/71/80/27/794718027.db2.gz WZLHZPJHQOZXKC-OAHLLOKOSA-N 1 0 335.408 -1.038 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001278815350 794719109 /nfs/dbraw/zinc/71/91/09/794719109.db2.gz BTBCESZZHFEUED-ABAIWWIYSA-N 1 0 328.413 -1.280 20 0 EAADRO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001278815351 794718855 /nfs/dbraw/zinc/71/88/55/794718855.db2.gz BTBCESZZHFEUED-IAQYHMDHSA-N 1 0 328.413 -1.280 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001278815353 794718113 /nfs/dbraw/zinc/71/81/13/794718113.db2.gz BTBCESZZHFEUED-NHYWBVRUSA-N 1 0 328.413 -1.280 20 0 EAADRO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001278815355 794719146 /nfs/dbraw/zinc/71/91/46/794719146.db2.gz BTBCESZZHFEUED-XHDPSFHLSA-N 1 0 328.413 -1.280 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001278815525 794718013 /nfs/dbraw/zinc/71/80/13/794718013.db2.gz FVNYBOBJWRUYCZ-BXKDBHETSA-N 1 0 341.330 -1.011 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001278815526 794717930 /nfs/dbraw/zinc/71/79/30/794717930.db2.gz FVNYBOBJWRUYCZ-CABZTGNLSA-N 1 0 341.330 -1.011 20 0 EAADRO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001278815527 794718687 /nfs/dbraw/zinc/71/86/87/794718687.db2.gz FVNYBOBJWRUYCZ-JOYOIKCWSA-N 1 0 341.330 -1.011 20 0 EAADRO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001278815528 794718746 /nfs/dbraw/zinc/71/87/46/794718746.db2.gz FVNYBOBJWRUYCZ-SKDRFNHKSA-N 1 0 341.330 -1.011 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278815635 794719262 /nfs/dbraw/zinc/71/92/62/794719262.db2.gz ANYTTYAZYZDMEF-GHMZBOCLSA-N 1 0 331.369 -2.545 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278815636 794718956 /nfs/dbraw/zinc/71/89/56/794718956.db2.gz ANYTTYAZYZDMEF-MNOVXSKESA-N 1 0 331.369 -2.545 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278815637 794718020 /nfs/dbraw/zinc/71/80/20/794718020.db2.gz ANYTTYAZYZDMEF-QWRGUYRKSA-N 1 0 331.369 -2.545 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278815638 794718637 /nfs/dbraw/zinc/71/86/37/794718637.db2.gz ANYTTYAZYZDMEF-WDEREUQCSA-N 1 0 331.369 -2.545 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC1CCOCC1)C(=O)C1CC(=O)NC(=O)C1 ZINC001278815643 794718310 /nfs/dbraw/zinc/71/83/10/794718310.db2.gz ASPKMFIWZOSCMP-CYBMUJFWSA-N 1 0 341.408 -1.125 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC1CCOCC1)C(=O)C1CC(=O)NC(=O)C1 ZINC001278815644 794717976 /nfs/dbraw/zinc/71/79/76/794717976.db2.gz ASPKMFIWZOSCMP-ZDUSSCGKSA-N 1 0 341.408 -1.125 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001278815733 794718837 /nfs/dbraw/zinc/71/88/37/794718837.db2.gz HUUHRYVOZMXTGP-AWEZNQCLSA-N 1 0 341.368 -1.611 20 0 EAADRO CC(=O)NCCOCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001278815734 794717984 /nfs/dbraw/zinc/71/79/84/794717984.db2.gz HUUHRYVOZMXTGP-CQSZACIVSA-N 1 0 341.368 -1.611 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001278815869 794719052 /nfs/dbraw/zinc/71/90/52/794719052.db2.gz CRKIGSVPFLNPQH-FRRDWIJNSA-N 1 0 338.408 -1.007 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001278815871 794718106 /nfs/dbraw/zinc/71/81/06/794718106.db2.gz CRKIGSVPFLNPQH-RWMBFGLXSA-N 1 0 338.408 -1.007 20 0 EAADRO COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001278816089 794717968 /nfs/dbraw/zinc/71/79/68/794717968.db2.gz NGTZPDRTXXOLEG-ABAIWWIYSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001278816090 794718428 /nfs/dbraw/zinc/71/84/28/794718428.db2.gz NGTZPDRTXXOLEG-IAQYHMDHSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001278816091 794719216 /nfs/dbraw/zinc/71/92/16/794719216.db2.gz NGTZPDRTXXOLEG-NHYWBVRUSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001278816092 794718484 /nfs/dbraw/zinc/71/84/84/794718484.db2.gz NGTZPDRTXXOLEG-XHDPSFHLSA-N 1 0 342.396 -1.532 20 0 EAADRO CC(C)OCC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278816121 794718979 /nfs/dbraw/zinc/71/89/79/794718979.db2.gz FSAUPWIEEUIITC-GFCCVEGCSA-N 1 0 329.397 -1.127 20 0 EAADRO CC(C)OCC[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278816122 794718198 /nfs/dbraw/zinc/71/81/98/794718198.db2.gz FSAUPWIEEUIITC-LBPRGKRZSA-N 1 0 329.397 -1.127 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278816709 794719555 /nfs/dbraw/zinc/71/95/55/794719555.db2.gz JXTMEVCUUXTPGO-LLVKDONJSA-N 1 0 342.396 -2.026 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278816710 794720156 /nfs/dbraw/zinc/72/01/56/794720156.db2.gz JXTMEVCUUXTPGO-NSHDSACASA-N 1 0 342.396 -2.026 20 0 EAADRO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CCOCCO)C2)nn1 ZINC001278816804 794720187 /nfs/dbraw/zinc/72/01/87/794720187.db2.gz WUFZDGFSUIUIOW-AWEZNQCLSA-N 1 0 327.385 -1.527 20 0 EAADRO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](CCOCCO)C2)nn1 ZINC001278816807 794720124 /nfs/dbraw/zinc/72/01/24/794720124.db2.gz WUFZDGFSUIUIOW-CQSZACIVSA-N 1 0 327.385 -1.527 20 0 EAADRO NC(=O)CCCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001278816935 794720424 /nfs/dbraw/zinc/72/04/24/794720424.db2.gz ZCDVBRRLVNWLSF-BLLLJJGKSA-N 1 0 340.424 -1.136 20 0 EAADRO NC(=O)CCCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001278816936 794720725 /nfs/dbraw/zinc/72/07/25/794720725.db2.gz ZCDVBRRLVNWLSF-LRDDRELGSA-N 1 0 340.424 -1.136 20 0 EAADRO NC(=O)CCCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001278816937 794719883 /nfs/dbraw/zinc/71/98/83/794719883.db2.gz ZCDVBRRLVNWLSF-MLGOLLRUSA-N 1 0 340.424 -1.136 20 0 EAADRO NC(=O)CCCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001278816938 794720460 /nfs/dbraw/zinc/72/04/60/794720460.db2.gz ZCDVBRRLVNWLSF-WBMJQRKESA-N 1 0 340.424 -1.136 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001278817017 794719815 /nfs/dbraw/zinc/71/98/15/794719815.db2.gz LQKRCLNHMDYLBY-CHWSQXEVSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001278817018 794719858 /nfs/dbraw/zinc/71/98/58/794719858.db2.gz LQKRCLNHMDYLBY-OLZOCXBDSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001278817019 794720200 /nfs/dbraw/zinc/72/02/00/794720200.db2.gz LQKRCLNHMDYLBY-QWHCGFSZSA-N 1 0 342.440 -1.210 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001278817020 794720291 /nfs/dbraw/zinc/72/02/91/794720291.db2.gz LQKRCLNHMDYLBY-STQMWFEESA-N 1 0 342.440 -1.210 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001278817235 794720163 /nfs/dbraw/zinc/72/01/63/794720163.db2.gz NIPLICJQCNXKIN-LLVKDONJSA-N 1 0 337.442 -1.645 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001278817236 794720541 /nfs/dbraw/zinc/72/05/41/794720541.db2.gz NIPLICJQCNXKIN-NSHDSACASA-N 1 0 337.442 -1.645 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001278817271 794719710 /nfs/dbraw/zinc/71/97/10/794719710.db2.gz NYMSXNTYYIAADL-GHMZBOCLSA-N 1 0 328.369 -2.284 20 0 EAADRO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001278817272 794720233 /nfs/dbraw/zinc/72/02/33/794720233.db2.gz NYMSXNTYYIAADL-MNOVXSKESA-N 1 0 328.369 -2.284 20 0 EAADRO C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001278817273 794719950 /nfs/dbraw/zinc/71/99/50/794719950.db2.gz NYMSXNTYYIAADL-QWRGUYRKSA-N 1 0 328.369 -2.284 20 0 EAADRO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001278817274 794719939 /nfs/dbraw/zinc/71/99/39/794719939.db2.gz NYMSXNTYYIAADL-WDEREUQCSA-N 1 0 328.369 -2.284 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278817416 794719979 /nfs/dbraw/zinc/71/99/79/794719979.db2.gz PNBSXRYTXXDFFZ-LLVKDONJSA-N 1 0 342.396 -2.027 20 0 EAADRO CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278817419 794720698 /nfs/dbraw/zinc/72/06/98/794720698.db2.gz PNBSXRYTXXDFFZ-NSHDSACASA-N 1 0 342.396 -2.027 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1nccn1C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278817448 794720240 /nfs/dbraw/zinc/72/02/40/794720240.db2.gz QACKGKOPPDKRNA-LLVKDONJSA-N 1 0 337.380 -1.618 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1nccn1C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278817450 794720494 /nfs/dbraw/zinc/72/04/94/794720494.db2.gz QACKGKOPPDKRNA-NSHDSACASA-N 1 0 337.380 -1.618 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCF)C(=O)C1(n2cnnn2)CCOCC1 ZINC001278817502 794720513 /nfs/dbraw/zinc/72/05/13/794720513.db2.gz QNMXJVVXDMCIDX-GFCCVEGCSA-N 1 0 344.391 -1.053 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCCF)C(=O)C1(n2cnnn2)CCOCC1 ZINC001278817504 794720082 /nfs/dbraw/zinc/72/00/82/794720082.db2.gz QNMXJVVXDMCIDX-LBPRGKRZSA-N 1 0 344.391 -1.053 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001278817569 794720439 /nfs/dbraw/zinc/72/04/39/794720439.db2.gz RLPCKJIRAATWMO-NEPJUHHUSA-N 1 0 341.412 -1.911 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001278817570 794720647 /nfs/dbraw/zinc/72/06/47/794720647.db2.gz RLPCKJIRAATWMO-NWDGAFQWSA-N 1 0 341.412 -1.911 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001278817572 794720537 /nfs/dbraw/zinc/72/05/37/794720537.db2.gz RLPCKJIRAATWMO-RYUDHWBXSA-N 1 0 341.412 -1.911 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001278817573 794720029 /nfs/dbraw/zinc/72/00/29/794720029.db2.gz RLPCKJIRAATWMO-VXGBXAGGSA-N 1 0 341.412 -1.911 20 0 EAADRO Cc1ncoc1C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278817637 794720300 /nfs/dbraw/zinc/72/03/00/794720300.db2.gz SBTUODSOCGLHBC-LLVKDONJSA-N 1 0 338.364 -1.055 20 0 EAADRO Cc1ncoc1C[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001278817639 794719765 /nfs/dbraw/zinc/71/97/65/794719765.db2.gz SBTUODSOCGLHBC-NSHDSACASA-N 1 0 338.364 -1.055 20 0 EAADRO Cc1c[nH]c(C(=O)N(C)C[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001278817967 794720100 /nfs/dbraw/zinc/72/01/00/794720100.db2.gz XAEOLDNCYIZMPT-LLVKDONJSA-N 1 0 337.380 -1.110 20 0 EAADRO Cc1c[nH]c(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)n1 ZINC001278817968 794720643 /nfs/dbraw/zinc/72/06/43/794720643.db2.gz XAEOLDNCYIZMPT-NSHDSACASA-N 1 0 337.380 -1.110 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(=O)N1CCC(C)CC1 ZINC001278818243 794719706 /nfs/dbraw/zinc/71/97/06/794719706.db2.gz ZDJYLKATJONBPH-KBPBESRZSA-N 1 0 345.440 -1.339 20 0 EAADRO COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)N1CCC(C)CC1 ZINC001278818244 794720117 /nfs/dbraw/zinc/72/01/17/794720117.db2.gz ZDJYLKATJONBPH-KGLIPLIRSA-N 1 0 345.440 -1.339 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(=O)N1CCC(C)CC1 ZINC001278818245 794719620 /nfs/dbraw/zinc/71/96/20/794719620.db2.gz ZDJYLKATJONBPH-UONOGXRCSA-N 1 0 345.440 -1.339 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)N1CCC(C)CC1 ZINC001278818246 794719910 /nfs/dbraw/zinc/71/99/10/794719910.db2.gz ZDJYLKATJONBPH-ZIAGYGMSSA-N 1 0 345.440 -1.339 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C[C@H](C)O)C2)no1 ZINC001278820574 794720286 /nfs/dbraw/zinc/72/02/86/794720286.db2.gz CGUOEYRYKRSWED-LKFCYVNXSA-N 1 0 326.353 -1.145 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H](C)O)C2)no1 ZINC001278820575 794720063 /nfs/dbraw/zinc/72/00/63/794720063.db2.gz CGUOEYRYKRSWED-OTYXRUKQSA-N 1 0 326.353 -1.145 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H](C)O)C2)no1 ZINC001278820576 794720036 /nfs/dbraw/zinc/72/00/36/794720036.db2.gz CGUOEYRYKRSWED-XPTSAGLGSA-N 1 0 326.353 -1.145 20 0 EAADRO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H](C)O)C2)no1 ZINC001278820577 794720090 /nfs/dbraw/zinc/72/00/90/794720090.db2.gz CGUOEYRYKRSWED-YMTOWFKASA-N 1 0 326.353 -1.145 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@]2(O)CC[N@H+](C[C@@H](O)COC)C2)CCC1 ZINC001278820830 794720014 /nfs/dbraw/zinc/72/00/14/794720014.db2.gz GDEWKFGHQQGQNK-DOMZBBRYSA-N 1 0 343.424 -1.537 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@]2(O)CC[N@H+](C[C@@H](O)COC)C2)CCC1 ZINC001278820831 794720636 /nfs/dbraw/zinc/72/06/36/794720636.db2.gz GDEWKFGHQQGQNK-IUODEOHRSA-N 1 0 343.424 -1.537 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@]1(C)CCOC1 ZINC001278820990 794720008 /nfs/dbraw/zinc/72/00/08/794720008.db2.gz AKEKAUALFJNNBF-ABAIWWIYSA-N 1 0 342.396 -1.626 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@]1(C)CCOC1 ZINC001278820991 794720533 /nfs/dbraw/zinc/72/05/33/794720533.db2.gz AKEKAUALFJNNBF-IAQYHMDHSA-N 1 0 342.396 -1.626 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@]1(C)CCOC1 ZINC001278820992 794719902 /nfs/dbraw/zinc/71/99/02/794719902.db2.gz AKEKAUALFJNNBF-NHYWBVRUSA-N 1 0 342.396 -1.626 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@]1(C)CCOC1 ZINC001278820993 794719849 /nfs/dbraw/zinc/71/98/49/794719849.db2.gz AKEKAUALFJNNBF-XHDPSFHLSA-N 1 0 342.396 -1.626 20 0 EAADRO C[C@@H](O)CCC[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821090 794719962 /nfs/dbraw/zinc/71/99/62/794719962.db2.gz IBGMZCONSUPKNU-ABAIWWIYSA-N 1 0 342.396 -1.748 20 0 EAADRO C[C@@H](O)CCC[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821091 794720407 /nfs/dbraw/zinc/72/04/07/794720407.db2.gz IBGMZCONSUPKNU-IAQYHMDHSA-N 1 0 342.396 -1.748 20 0 EAADRO C[C@H](O)CCC[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821092 794720271 /nfs/dbraw/zinc/72/02/71/794720271.db2.gz IBGMZCONSUPKNU-NHYWBVRUSA-N 1 0 342.396 -1.748 20 0 EAADRO C[C@H](O)CCC[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821093 794720659 /nfs/dbraw/zinc/72/06/59/794720659.db2.gz IBGMZCONSUPKNU-XHDPSFHLSA-N 1 0 342.396 -1.748 20 0 EAADRO COCCC[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821164 794720106 /nfs/dbraw/zinc/72/01/06/794720106.db2.gz JAPMWKWJYROBNX-AWEZNQCLSA-N 1 0 328.369 -1.872 20 0 EAADRO COCCC[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821165 794720504 /nfs/dbraw/zinc/72/05/04/794720504.db2.gz JAPMWKWJYROBNX-CQSZACIVSA-N 1 0 328.369 -1.872 20 0 EAADRO CCOCC[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001278821187 794720308 /nfs/dbraw/zinc/72/03/08/794720308.db2.gz JFJHIGWCQBHZGS-HNNXBMFYSA-N 1 0 327.381 -1.275 20 0 EAADRO CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001278821189 794719992 /nfs/dbraw/zinc/71/99/92/794719992.db2.gz JFJHIGWCQBHZGS-OAHLLOKOSA-N 1 0 327.381 -1.275 20 0 EAADRO COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001278822136 794719631 /nfs/dbraw/zinc/71/96/31/794719631.db2.gz PQONOXGCTRZKOH-ABAIWWIYSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001278822137 794719871 /nfs/dbraw/zinc/71/98/71/794719871.db2.gz PQONOXGCTRZKOH-IAQYHMDHSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001278822139 794720585 /nfs/dbraw/zinc/72/05/85/794720585.db2.gz PQONOXGCTRZKOH-NHYWBVRUSA-N 1 0 342.396 -1.532 20 0 EAADRO COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001278822141 794720688 /nfs/dbraw/zinc/72/06/88/794720688.db2.gz PQONOXGCTRZKOH-XHDPSFHLSA-N 1 0 342.396 -1.532 20 0 EAADRO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]c1 ZINC001278822480 794722016 /nfs/dbraw/zinc/72/20/16/794722016.db2.gz QKIITSDKZLJAFT-BDJLRTHQSA-N 1 0 348.359 -1.241 20 0 EAADRO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]c1 ZINC001278822481 794721448 /nfs/dbraw/zinc/72/14/48/794721448.db2.gz QKIITSDKZLJAFT-BZNIZROVSA-N 1 0 348.359 -1.241 20 0 EAADRO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]c1 ZINC001278822482 794721806 /nfs/dbraw/zinc/72/18/06/794721806.db2.gz QKIITSDKZLJAFT-MEDUHNTESA-N 1 0 348.359 -1.241 20 0 EAADRO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]c1 ZINC001278822483 794721897 /nfs/dbraw/zinc/72/18/97/794721897.db2.gz QKIITSDKZLJAFT-ZBEGNZNMSA-N 1 0 348.359 -1.241 20 0 EAADRO COCC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001278823629 794721788 /nfs/dbraw/zinc/72/17/88/794721788.db2.gz ZVHHUQFGUKWZKR-HZMBPMFUSA-N 1 0 328.369 -1.826 20 0 EAADRO COCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001278823630 794721229 /nfs/dbraw/zinc/72/12/29/794721229.db2.gz 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Cc1conc1C(=O)N(C)C[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O ZINC001278823882 794721173 /nfs/dbraw/zinc/72/11/73/794721173.db2.gz UACNSYXKUDVQPZ-NSHDSACASA-N 1 0 348.425 -1.103 20 0 EAADRO CCn1nncc1C[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001278823887 794722071 /nfs/dbraw/zinc/72/20/71/794722071.db2.gz UBKQBHZJHCXUAX-CYBMUJFWSA-N 1 0 338.412 -1.267 20 0 EAADRO CCn1nncc1C[NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001278823888 794721122 /nfs/dbraw/zinc/72/11/22/794721122.db2.gz UBKQBHZJHCXUAX-ZDUSSCGKSA-N 1 0 338.412 -1.267 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCO)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001278823957 794722209 /nfs/dbraw/zinc/72/22/09/794722209.db2.gz VSVYUMQEXPTXJE-LLVKDONJSA-N 1 0 327.385 -2.218 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCO)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001278823958 794721549 /nfs/dbraw/zinc/72/15/49/794721549.db2.gz VSVYUMQEXPTXJE-NSHDSACASA-N 1 0 327.385 -2.218 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001278824103 794721047 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EAADRO CN(CCOCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001279436994 785124626 /nfs/dbraw/zinc/12/46/26/785124626.db2.gz QFSIKTQNLPBROO-CYBMUJFWSA-N 1 0 334.348 -1.626 20 0 EAADRO CN(CCOCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001279437008 785124284 /nfs/dbraw/zinc/12/42/84/785124284.db2.gz QFSIKTQNLPBROO-ZDUSSCGKSA-N 1 0 334.348 -1.626 20 0 EAADRO CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001279437158 785124387 /nfs/dbraw/zinc/12/43/87/785124387.db2.gz RUAZNZQSDWMPNS-HNNXBMFYSA-N 1 0 328.413 -1.287 20 0 EAADRO CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001279437166 785124316 /nfs/dbraw/zinc/12/43/16/785124316.db2.gz RUAZNZQSDWMPNS-OAHLLOKOSA-N 1 0 328.413 -1.287 20 0 EAADRO CN(CCOCC[NH2+]CC(=O)N1CCC1)C(=O)c1nnn(C)n1 ZINC001279437405 794896559 /nfs/dbraw/zinc/89/65/59/794896559.db2.gz ULAPHBWXHNXNDB-UHFFFAOYSA-N 1 0 325.373 -1.879 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001279437565 794897025 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CN(CCOCC[NH2+][C@H]1CCN(C2CCC2)C1=O)C(=O)C(N)=O ZINC001279437719 794896903 /nfs/dbraw/zinc/89/69/03/794896903.db2.gz XSROKFFKVRJAOG-LBPRGKRZSA-N 1 0 326.397 -1.310 20 0 EAADRO O=C(CC1CS(=O)(=O)C1)NCCN1CCC([NH2+]CCCO)CC1 ZINC001279438200 794896211 /nfs/dbraw/zinc/89/62/11/794896211.db2.gz ARBTZGWLOUYHIA-UHFFFAOYSA-N 1 0 347.481 -1.026 20 0 EAADRO COCC[NH2+]C1CCN(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001279438763 794896522 /nfs/dbraw/zinc/89/65/22/794896522.db2.gz LQZGFFLJAKQSCF-UHFFFAOYSA-N 1 0 341.456 -1.765 20 0 EAADRO Cc1nnc(CNC2CC[NH+](CCNC(=O)[C@@H]3CCNC3=O)CC2)[nH]1 ZINC001279439465 794896224 /nfs/dbraw/zinc/89/62/24/794896224.db2.gz XOLLUUVPVDSCJI-CYBMUJFWSA-N 1 0 349.439 -1.081 20 0 EAADRO Cc1nnc(CNC2CC[NH+](CCNC(=O)[C@H]3CCNC3=O)CC2)[nH]1 ZINC001279439466 794896593 /nfs/dbraw/zinc/89/65/93/794896593.db2.gz XOLLUUVPVDSCJI-ZDUSSCGKSA-N 1 0 349.439 -1.081 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001279442813 794896314 /nfs/dbraw/zinc/89/63/14/794896314.db2.gz FICDHOKUOXGWLN-GRYCIOLGSA-N 1 0 326.397 -1.549 20 0 EAADRO CN(CCOCC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001279442815 794896502 /nfs/dbraw/zinc/89/65/02/794896502.db2.gz FICDHOKUOXGWLN-WOPDTQHZSA-N 1 0 326.397 -1.549 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001279442983 785127881 /nfs/dbraw/zinc/12/78/81/785127881.db2.gz IKOQPDWGCJBXIZ-JTQLQIEISA-N 1 0 342.396 -1.762 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001279442984 785127471 /nfs/dbraw/zinc/12/74/71/785127471.db2.gz IKOQPDWGCJBXIZ-SNVBAGLBSA-N 1 0 342.396 -1.762 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)c1cccc(=O)n1C ZINC001279443174 794896988 /nfs/dbraw/zinc/89/69/88/794896988.db2.gz KKCBMUGTNBWTMH-GFCCVEGCSA-N 1 0 336.392 -1.048 20 0 EAADRO CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)c1cccc(=O)n1C ZINC001279443175 794896802 /nfs/dbraw/zinc/89/68/02/794896802.db2.gz KKCBMUGTNBWTMH-LBPRGKRZSA-N 1 0 336.392 -1.048 20 0 EAADRO CNC(=O)C1(C(=O)N(C)CCOCC[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001279443375 794896756 /nfs/dbraw/zinc/89/67/56/794896756.db2.gz QQJCWKUAMXPNRR-GFCCVEGCSA-N 1 0 340.424 -1.192 20 0 EAADRO CNC(=O)C1(C(=O)N(C)CCOCC[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001279443376 794897234 /nfs/dbraw/zinc/89/72/34/794897234.db2.gz QQJCWKUAMXPNRR-LBPRGKRZSA-N 1 0 340.424 -1.192 20 0 EAADRO CN(CCOCC[NH2+]Cc1cnnn1C)C(=O)[C@@]1(C)CCNC1=O ZINC001279443426 794897312 /nfs/dbraw/zinc/89/73/12/794897312.db2.gz SMSIQNITIGGNAQ-HNNXBMFYSA-N 1 0 338.412 -1.094 20 0 EAADRO CN(CCOCC[NH2+]Cc1cnnn1C)C(=O)[C@]1(C)CCNC1=O ZINC001279443427 794897188 /nfs/dbraw/zinc/89/71/88/794897188.db2.gz SMSIQNITIGGNAQ-OAHLLOKOSA-N 1 0 338.412 -1.094 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)S(C)(=O)=O ZINC001279443449 794896270 /nfs/dbraw/zinc/89/62/70/794896270.db2.gz TUWSACRBFVVWQK-LLVKDONJSA-N 1 0 349.453 -1.237 20 0 EAADRO CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)S(C)(=O)=O ZINC001279443450 794897247 /nfs/dbraw/zinc/89/72/47/794897247.db2.gz TUWSACRBFVVWQK-NSHDSACASA-N 1 0 349.453 -1.237 20 0 EAADRO CN(CCOCC[NH2+]CC(=O)N1CCC1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001279443610 785127817 /nfs/dbraw/zinc/12/78/17/785127817.db2.gz YGAURVCRIBSKJZ-INIZCTEOSA-N 1 0 340.424 -1.048 20 0 EAADRO CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@]1(C)CCCS1(=O)=O ZINC001279443636 794896861 /nfs/dbraw/zinc/89/68/61/794896861.db2.gz ZIHRLELWRCRBDO-AWEZNQCLSA-N 1 0 349.453 -1.236 20 0 EAADRO CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001279443637 794897294 /nfs/dbraw/zinc/89/72/94/794897294.db2.gz ZIHRLELWRCRBDO-CQSZACIVSA-N 1 0 349.453 -1.236 20 0 EAADRO C[C@H]([NH2+]C1CCN(CCNC(=O)C(N)=O)CC1)C(=O)NC1CC1 ZINC001279446235 794896766 /nfs/dbraw/zinc/89/67/66/794896766.db2.gz CRISXODBLXFMQG-JTQLQIEISA-N 1 0 325.413 -1.691 20 0 EAADRO C[C@@H]([NH2+]C1CCN(CCNC(=O)C(N)=O)CC1)C(=O)NC1CC1 ZINC001279446236 794896735 /nfs/dbraw/zinc/89/67/35/794896735.db2.gz CRISXODBLXFMQG-SNVBAGLBSA-N 1 0 325.413 -1.691 20 0 EAADRO Cn1ncnc1CNC1CC[NH+](CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001279446240 794896937 /nfs/dbraw/zinc/89/69/37/794896937.db2.gz CSQYGVRGTGJKLG-UHFFFAOYSA-N 1 0 349.439 -1.249 20 0 EAADRO C[C@H](O)CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001279446316 794897183 /nfs/dbraw/zinc/89/71/83/794897183.db2.gz DYNVAVSSIJPNCO-GXTWGEPZSA-N 1 0 341.456 -1.001 20 0 EAADRO C[C@H](O)CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001279446317 794896678 /nfs/dbraw/zinc/89/66/78/794896678.db2.gz DYNVAVSSIJPNCO-JSGCOSHPSA-N 1 0 341.456 -1.001 20 0 EAADRO C[C@@H](O)CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001279446318 794896649 /nfs/dbraw/zinc/89/66/49/794896649.db2.gz DYNVAVSSIJPNCO-OCCSQVGLSA-N 1 0 341.456 -1.001 20 0 EAADRO C[C@@H](O)CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001279446319 794896097 /nfs/dbraw/zinc/89/60/97/794896097.db2.gz DYNVAVSSIJPNCO-TZMCWYRMSA-N 1 0 341.456 -1.001 20 0 EAADRO CN(CC[NH2+]C1CCN(CCNC(=O)C(N)=O)CC1)S(C)(=O)=O ZINC001279446324 794896302 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CCCC[C@H]([NH2+]C1CCN(CCNC(=O)C(N)=O)CC1)C(N)=O ZINC001279446940 785127583 /nfs/dbraw/zinc/12/75/83/785127583.db2.gz ZRRSUAMYKDZJQW-LBPRGKRZSA-N 1 0 327.429 -1.314 20 0 EAADRO CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCCCN1C(N)=O ZINC001279450036 785128326 /nfs/dbraw/zinc/12/83/26/785128326.db2.gz FNMZVLDVJPVDSE-LLVKDONJSA-N 1 0 329.401 -1.531 20 0 EAADRO CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001279450038 785127925 /nfs/dbraw/zinc/12/79/25/785127925.db2.gz FNMZVLDVJPVDSE-NSHDSACASA-N 1 0 329.401 -1.531 20 0 EAADRO CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001279450054 785128365 /nfs/dbraw/zinc/12/83/65/785128365.db2.gz GAWYZUXHYSEKTP-GFCCVEGCSA-N 1 0 328.413 -1.205 20 0 EAADRO CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCCCN(C)C1=O ZINC001279450057 785129701 /nfs/dbraw/zinc/12/97/01/785129701.db2.gz GAWYZUXHYSEKTP-LBPRGKRZSA-N 1 0 328.413 -1.205 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCOCCN(C)C(=O)c1ccncn1 ZINC001279450186 794896158 /nfs/dbraw/zinc/89/61/58/794896158.db2.gz HWBVSJAUBYBPKK-UHFFFAOYSA-N 1 0 338.368 -1.390 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCOCCN(C)C(=O)c1cnon1 ZINC001279450280 794897211 /nfs/dbraw/zinc/89/72/11/794897211.db2.gz JKRPQSNPEVLHTQ-UHFFFAOYSA-N 1 0 328.329 -1.797 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1cnon1 ZINC001279450380 794896103 /nfs/dbraw/zinc/89/61/03/794896103.db2.gz NIBFMTUQJAVYEH-SECBINFHSA-N 1 0 325.325 -1.447 20 0 EAADRO CN(CCOCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1cnon1 ZINC001279450381 794896583 /nfs/dbraw/zinc/89/65/83/794896583.db2.gz NIBFMTUQJAVYEH-VIFPVBQESA-N 1 0 325.325 -1.447 20 0 EAADRO Cn1cc(C(=O)NCCN2CCC([NH2+]CCCO)CC2)n(C)c1=O ZINC001279453303 785129556 /nfs/dbraw/zinc/12/95/56/785129556.db2.gz IHJOQBNUYIPBST-UHFFFAOYSA-N 1 0 339.440 -1.110 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001279453506 794896179 /nfs/dbraw/zinc/89/61/79/794896179.db2.gz KZSNSIJFLOQDIA-GFCCVEGCSA-N 1 0 341.412 -1.863 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001279453507 794896749 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O=C(C[NH2+]CCN(CCO)C(=O)c1cc[nH]n1)Nc1cnccn1 ZINC001279660372 794903881 /nfs/dbraw/zinc/90/38/81/794903881.db2.gz JKLKLUYXQWOFLC-UHFFFAOYSA-N 1 0 333.352 -1.138 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1cn[nH]c1)Nc1cnccn1 ZINC001279660401 794904150 /nfs/dbraw/zinc/90/41/50/794904150.db2.gz KGLTZEQOFHDDFU-UHFFFAOYSA-N 1 0 333.352 -1.138 20 0 EAADRO O=C(C[C@@H]1CCCO1)N(CCO)CC[NH2+]CC(=O)N1CCOCC1 ZINC001279660403 794903618 /nfs/dbraw/zinc/90/36/18/794903618.db2.gz KLKAMQXHJXIDKI-AWEZNQCLSA-N 1 0 343.424 -1.175 20 0 EAADRO O=C(C[C@H]1CCCO1)N(CCO)CC[NH2+]CC(=O)N1CCOCC1 ZINC001279660404 794903327 /nfs/dbraw/zinc/90/33/27/794903327.db2.gz KLKAMQXHJXIDKI-CQSZACIVSA-N 1 0 343.424 -1.175 20 0 EAADRO CCc1cc(C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)[nH]n1 ZINC001279660862 794903455 /nfs/dbraw/zinc/90/34/55/794903455.db2.gz RAHNDTOJSKFSFU-LLVKDONJSA-N 1 0 337.380 -1.199 20 0 EAADRO CCc1cc(C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)[nH]n1 ZINC001279660864 794903229 /nfs/dbraw/zinc/90/32/29/794903229.db2.gz 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ZINC001279661168 785226780 /nfs/dbraw/zinc/22/67/80/785226780.db2.gz WOELVGCUCGYNGX-ZDUSSCGKSA-N 1 0 340.380 -1.189 20 0 EAADRO O=C(CNC(=O)C1CC1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001279665982 794903102 /nfs/dbraw/zinc/90/31/02/794903102.db2.gz ASGZOZMHBVMXKN-LLVKDONJSA-N 1 0 340.380 -2.272 20 0 EAADRO O=C(CNC(=O)C1CC1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001279665983 794903491 /nfs/dbraw/zinc/90/34/91/794903491.db2.gz ASGZOZMHBVMXKN-NSHDSACASA-N 1 0 340.380 -2.272 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1cncnc1C ZINC001279666289 794904365 /nfs/dbraw/zinc/90/43/65/794904365.db2.gz FOPYHMOKDHZMAI-UHFFFAOYSA-N 1 0 338.368 -1.735 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1cnns1 ZINC001279667203 794903754 /nfs/dbraw/zinc/90/37/54/794903754.db2.gz OUYXBTSKVSNUJD-UHFFFAOYSA-N 1 0 330.370 -1.982 20 0 EAADRO CS(=O)(=O)CC(=O)N(CCO)CC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001279667488 785228484 /nfs/dbraw/zinc/22/84/84/785228484.db2.gz QABNAHNTZBLYEF-GXTWGEPZSA-N 1 0 334.438 -1.132 20 0 EAADRO CS(=O)(=O)CC(=O)N(CCO)CC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001279667489 785228623 /nfs/dbraw/zinc/22/86/23/785228623.db2.gz QABNAHNTZBLYEF-JSGCOSHPSA-N 1 0 334.438 -1.132 20 0 EAADRO CS(=O)(=O)CC(=O)N(CCO)CC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001279667490 785228579 /nfs/dbraw/zinc/22/85/79/785228579.db2.gz QABNAHNTZBLYEF-OCCSQVGLSA-N 1 0 334.438 -1.132 20 0 EAADRO CS(=O)(=O)CC(=O)N(CCO)CC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001279667491 785228518 /nfs/dbraw/zinc/22/85/18/785228518.db2.gz QABNAHNTZBLYEF-TZMCWYRMSA-N 1 0 334.438 -1.132 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1ccnc(F)c1 ZINC001279667535 785228429 /nfs/dbraw/zinc/22/84/29/785228429.db2.gz RJVBKPDTSIDTDE-UHFFFAOYSA-N 1 0 327.316 -1.560 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1ccnn1C ZINC001279667539 785228597 /nfs/dbraw/zinc/22/85/97/785228597.db2.gz RSIYJXJRMSPXJN-UHFFFAOYSA-N 1 0 326.357 -2.100 20 0 EAADRO O=C(c1ccon1)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001279667901 794903664 /nfs/dbraw/zinc/90/36/64/794903664.db2.gz 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CC(C)(C)NC(=O)C[NH2+]CCN(CCO)C(=O)c1nccnc1N ZINC001279673744 794904089 /nfs/dbraw/zinc/90/40/89/794904089.db2.gz XVJYTFYWDVSAND-UHFFFAOYSA-N 1 0 338.412 -1.002 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)C1=COCCC1 ZINC001279673762 794904233 /nfs/dbraw/zinc/90/42/33/794904233.db2.gz YETXEDOTLWQNOB-UHFFFAOYSA-N 1 0 328.369 -1.453 20 0 EAADRO Cc1ncoc1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CNC1=O ZINC001279679706 794903201 /nfs/dbraw/zinc/90/32/01/794903201.db2.gz CEGVMHOBIPHWEF-UHFFFAOYSA-N 1 0 339.352 -1.441 20 0 EAADRO Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001279680477 794903264 /nfs/dbraw/zinc/90/32/64/794903264.db2.gz OGIOWAKCAMTESK-HNNXBMFYSA-N 1 0 339.440 -1.296 20 0 EAADRO Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001279680478 794903946 /nfs/dbraw/zinc/90/39/46/794903946.db2.gz OGIOWAKCAMTESK-OAHLLOKOSA-N 1 0 339.440 -1.296 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1ocnc1C ZINC001279680535 794903834 /nfs/dbraw/zinc/90/38/34/794903834.db2.gz PFFKICPPBLRKLZ-UHFFFAOYSA-N 1 0 341.368 -1.147 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001279680538 785244571 /nfs/dbraw/zinc/24/45/71/785244571.db2.gz PITFOBVQETZJIC-LLVKDONJSA-N 1 0 345.400 -2.817 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001279680539 785244074 /nfs/dbraw/zinc/24/40/74/785244074.db2.gz PITFOBVQETZJIC-NSHDSACASA-N 1 0 345.400 -2.817 20 0 EAADRO Cc1cncc(C(=O)N(CCO)CC[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001279680543 794903809 /nfs/dbraw/zinc/90/38/09/794903809.db2.gz PQRDUHSKJGKCOP-UHFFFAOYSA-N 1 0 349.391 -1.034 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001279680945 794904113 /nfs/dbraw/zinc/90/41/13/794904113.db2.gz WFCNBUOKDCWCPZ-PJXYFTJBSA-N 1 0 326.397 -1.101 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NCC1=CC[N@H+](CCOCCO)CC1 ZINC001279681627 794903570 /nfs/dbraw/zinc/90/35/70/794903570.db2.gz GEAYFBMGEQOFSW-UHFFFAOYSA-N 1 0 339.392 -1.107 20 0 EAADRO O=C(CN1C(=O)CNC1=O)NCC1=CC[N@H+](CCn2cncn2)CC1 ZINC001279682265 794904319 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CC[C@@]1(C(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)CCNC1=O ZINC001279731019 785264440 /nfs/dbraw/zinc/26/44/40/785264440.db2.gz JFWOSGQCBXYORA-MRXNPFEDSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N(CCO)CC[NH2+]C[C@H]1CCOC1 ZINC001279731071 794905587 /nfs/dbraw/zinc/90/55/87/794905587.db2.gz KMQAGCYXSOCYNW-MNOVXSKESA-N 1 0 328.369 -1.969 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N(CCO)CC[NH2+]C[C@@H]1CCOC1 ZINC001279731072 794904902 /nfs/dbraw/zinc/90/49/02/794904902.db2.gz KMQAGCYXSOCYNW-QWRGUYRKSA-N 1 0 328.369 -1.969 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cnn2ncccc12 ZINC001279731079 785266584 /nfs/dbraw/zinc/26/65/84/785266584.db2.gz KVXSAXDEDPKSKV-UHFFFAOYSA-N 1 0 334.380 -1.111 20 0 EAADRO Cn1cncc1C[NH2+]CCN(CCO)C(=O)c1cc(=O)n(C)cn1 ZINC001279731402 794905500 /nfs/dbraw/zinc/90/55/00/794905500.db2.gz QMSFWOKWSLFLOL-UHFFFAOYSA-N 1 0 334.380 -1.262 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cc(=O)n(C)cn1 ZINC001279731459 794905671 /nfs/dbraw/zinc/90/56/71/794905671.db2.gz 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EAADRO O=C(C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC(=O)N1)NC1CC1 ZINC001279737934 785267847 /nfs/dbraw/zinc/26/78/47/785267847.db2.gz ORWZVFFOMDCPKB-GFCCVEGCSA-N 1 0 326.397 -1.656 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)c1nc2ncc(C)cn2n1 ZINC001279738147 794905162 /nfs/dbraw/zinc/90/51/62/794905162.db2.gz OYTDWDRDICZZTJ-UHFFFAOYSA-N 1 0 335.368 -1.797 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)c1cnc2n1CCOC2 ZINC001279738226 785269153 /nfs/dbraw/zinc/26/91/53/785269153.db2.gz RYLJITMGJCKECM-UHFFFAOYSA-N 1 0 339.396 -1.474 20 0 EAADRO CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)C(C)(C)C(N)=O)C1=O ZINC001279738545 794904719 /nfs/dbraw/zinc/90/47/19/794904719.db2.gz TVFSZCZGSJIWQH-LLVKDONJSA-N 1 0 328.413 -1.471 20 0 EAADRO CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)C(C)(C)C(N)=O)C1=O ZINC001279738546 794905513 /nfs/dbraw/zinc/90/55/13/794905513.db2.gz TVFSZCZGSJIWQH-NSHDSACASA-N 1 0 328.413 -1.471 20 0 EAADRO CN1CC[C@H](CC(=O)N(CCO)CC[NH2+]Cc2cnnn2C)C1=O ZINC001279738890 785269002 /nfs/dbraw/zinc/26/90/02/785269002.db2.gz 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EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)CC1CS(=O)(=O)C1 ZINC001279746551 785271711 /nfs/dbraw/zinc/27/17/11/785271711.db2.gz MIPJCSIRCJPIAU-UHFFFAOYSA-N 1 0 335.426 -2.080 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cncc2C1 ZINC001279747046 785275274 /nfs/dbraw/zinc/27/52/74/785275274.db2.gz ZKUMZYOQOFSKPE-CYBMUJFWSA-N 1 0 337.424 -1.056 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCn2cncc2C1 ZINC001279747047 785275639 /nfs/dbraw/zinc/27/56/39/785275639.db2.gz ZKUMZYOQOFSKPE-ZDUSSCGKSA-N 1 0 337.424 -1.056 20 0 EAADRO Cn1nncc1C[NH2+]CCN(CCO)C(=O)c1ccc(=O)n(C)c1 ZINC001279753339 794906455 /nfs/dbraw/zinc/90/64/55/794906455.db2.gz HNAKTGZSLCQYNN-UHFFFAOYSA-N 1 0 334.380 -1.262 20 0 EAADRO CCN1CCOC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cnnn1C ZINC001279753379 785276899 /nfs/dbraw/zinc/27/68/99/785276899.db2.gz JXBQCZJHWUQNEY-AWEZNQCLSA-N 1 0 340.428 -1.554 20 0 EAADRO CCN1CCOC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1cnnn1C ZINC001279753380 785276251 /nfs/dbraw/zinc/27/62/51/785276251.db2.gz 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O=C([C@H]1CCC(=O)NC1)N(CCO)CC[NH2+]CCN1CCCC1=O ZINC001279753928 785277522 /nfs/dbraw/zinc/27/75/22/785277522.db2.gz VKCITIGPKMTREF-ZDUSSCGKSA-N 1 0 340.424 -1.455 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccnc2c1CC(=O)N2 ZINC001279753934 785277643 /nfs/dbraw/zinc/27/76/43/785277643.db2.gz VLVFFQIQPKNPLB-UHFFFAOYSA-N 1 0 335.364 -1.654 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)c1cn(C)ccc1=O ZINC001279763190 794907127 /nfs/dbraw/zinc/90/71/27/794907127.db2.gz CUBLXHVGLUCYOZ-UHFFFAOYSA-N 1 0 338.408 -1.066 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001279763498 794907463 /nfs/dbraw/zinc/90/74/63/794907463.db2.gz GMOIGQGIKIWSNI-GFCCVEGCSA-N 1 0 349.453 -1.690 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001279763499 794907179 /nfs/dbraw/zinc/90/71/79/794907179.db2.gz GMOIGQGIKIWSNI-LBPRGKRZSA-N 1 0 349.453 -1.690 20 0 EAADRO Cn1nccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001279763704 794906818 /nfs/dbraw/zinc/90/68/18/794906818.db2.gz 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ZINC001279773677 794906331 /nfs/dbraw/zinc/90/63/31/794906331.db2.gz XDAMJMDVDMZLHC-UHFFFAOYSA-N 1 0 340.424 -1.455 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N(CCO)CC[NH2+]CCF ZINC001279773829 794907007 /nfs/dbraw/zinc/90/70/07/794907007.db2.gz YOSGBBRRJWRWHA-VIFPVBQESA-N 1 0 325.362 -2.720 20 0 EAADRO O=C(c1coc2c1C(=O)NCCC2)N(CCO)CC[NH2+]CCO ZINC001279773841 794906547 /nfs/dbraw/zinc/90/65/47/794906547.db2.gz ZCESBIDJYUMNAG-UHFFFAOYSA-N 1 0 325.365 -1.028 20 0 EAADRO Cc1cn2nc(C(=O)N(CCO)CC[NH2+]C[C@@H](C)O)cc2c(=O)[nH]1 ZINC001279782425 794906602 /nfs/dbraw/zinc/90/66/02/794906602.db2.gz MEJYMHNKEOSCKU-LLVKDONJSA-N 1 0 337.380 -1.264 20 0 EAADRO Cc1cn2nc(C(=O)N(CCO)CC[NH2+]C[C@H](C)O)cc2c(=O)[nH]1 ZINC001279782427 794906380 /nfs/dbraw/zinc/90/63/80/794906380.db2.gz MEJYMHNKEOSCKU-NSHDSACASA-N 1 0 337.380 -1.264 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1c(C)c(C)n[nH]c1=O ZINC001279782431 794906348 /nfs/dbraw/zinc/90/63/48/794906348.db2.gz MFOPLBWUFSGLDH-UHFFFAOYSA-N 1 0 339.396 -1.041 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1csnn1 ZINC001279782568 794906607 /nfs/dbraw/zinc/90/66/07/794906607.db2.gz NVJPGNMDAJPCPS-UHFFFAOYSA-N 1 0 344.397 -1.592 20 0 EAADRO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)c1ccc(-n2cnnn2)cn1 ZINC001279782587 785296661 /nfs/dbraw/zinc/29/66/61/785296661.db2.gz OMHSRJRTJFGDDB-LLVKDONJSA-N 1 0 335.368 -1.538 20 0 EAADRO C[C@H](O)C[NH2+]CCN(CCO)C(=O)c1ccc(-n2cnnn2)cn1 ZINC001279782589 785296951 /nfs/dbraw/zinc/29/69/51/785296951.db2.gz OMHSRJRTJFGDDB-NSHDSACASA-N 1 0 335.368 -1.538 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1cnco1 ZINC001279783092 794906700 /nfs/dbraw/zinc/90/67/00/794906700.db2.gz QZUCEMBTYGPDJH-UHFFFAOYSA-N 1 0 327.341 -1.456 20 0 EAADRO NC(=O)c1cc(C(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)co1 ZINC001279783218 794906438 /nfs/dbraw/zinc/90/64/38/794906438.db2.gz SCXOVIMUXJCUSC-UHFFFAOYSA-N 1 0 338.364 -1.365 20 0 EAADRO Cn1cc(-c2oncc2C(=O)N(CCO)CC[NH2+]CC(N)=O)cn1 ZINC001279783290 794906508 /nfs/dbraw/zinc/90/65/08/794906508.db2.gz TWQICMMCXOHSOI-UHFFFAOYSA-N 1 0 336.352 -1.416 20 0 EAADRO Cc1nn(C)c2ncc(C(=O)N(CCO)CC[NH2+]CC(N)=O)cc12 ZINC001279783295 794907529 /nfs/dbraw/zinc/90/75/29/794907529.db2.gz UBNHONTWYFRRNF-UHFFFAOYSA-N 1 0 334.380 -1.214 20 0 EAADRO O=C(c1csnn1)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001279783335 794906597 /nfs/dbraw/zinc/90/65/97/794906597.db2.gz UYLULOIDMYUUHU-JTQLQIEISA-N 1 0 348.450 -1.003 20 0 EAADRO O=C(c1csnn1)N(CCO)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001279783336 794907067 /nfs/dbraw/zinc/90/70/67/794907067.db2.gz UYLULOIDMYUUHU-SNVBAGLBSA-N 1 0 348.450 -1.003 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc(-n2cncn2)nc1 ZINC001279783597 794907092 /nfs/dbraw/zinc/90/70/92/794907092.db2.gz WFCBBGZZZMYUKG-UHFFFAOYSA-N 1 0 333.352 -1.828 20 0 EAADRO Cc1nn(C)c(=O)c(C(=O)N(CCO)CC[NH2+]C[C@H](C)O)c1C ZINC001279783724 785297116 /nfs/dbraw/zinc/29/71/16/785297116.db2.gz YTZLHLJJWRWQKV-JTQLQIEISA-N 1 0 326.397 -1.198 20 0 EAADRO Cc1nn(C)c(=O)c(C(=O)N(CCO)CC[NH2+]C[C@@H](C)O)c1C ZINC001279783725 785297125 /nfs/dbraw/zinc/29/71/25/785297125.db2.gz YTZLHLJJWRWQKV-SNVBAGLBSA-N 1 0 326.397 -1.198 20 0 EAADRO NC(=O)[C@@H]1CC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279791032 785299874 /nfs/dbraw/zinc/29/98/74/785299874.db2.gz ATSSAFXZRBUCQT-NEPJUHHUSA-N 1 0 326.397 -1.859 20 0 EAADRO NC(=O)[C@H]1CC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279791034 785300361 /nfs/dbraw/zinc/30/03/61/785300361.db2.gz ATSSAFXZRBUCQT-NWDGAFQWSA-N 1 0 326.397 -1.859 20 0 EAADRO NC(=O)[C@H]1CC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279791036 785300119 /nfs/dbraw/zinc/30/01/19/785300119.db2.gz ATSSAFXZRBUCQT-RYUDHWBXSA-N 1 0 326.397 -1.859 20 0 EAADRO NC(=O)[C@@H]1CC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279791038 785299852 /nfs/dbraw/zinc/29/98/52/785299852.db2.gz ATSSAFXZRBUCQT-VXGBXAGGSA-N 1 0 326.397 -1.859 20 0 EAADRO Cc1ccncc1C[NH2+]CCN(CCO)C(=O)CN1CCNC(=O)C1 ZINC001279791071 794907433 /nfs/dbraw/zinc/90/74/33/794907433.db2.gz BQKGDZQPNIELCA-UHFFFAOYSA-N 1 0 349.435 -1.268 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1ccn2nnnc2c1)N1CCC1 ZINC001279791118 794907514 /nfs/dbraw/zinc/90/75/14/794907514.db2.gz CKUWBKNZBIGKRL-UHFFFAOYSA-N 1 0 347.379 -1.619 20 0 EAADRO Cc1cnc(C[NH2+]CCN(CCO)C(=O)[C@H]2CN(C)C(=O)N2)cn1 ZINC001279791326 794906802 /nfs/dbraw/zinc/90/68/02/794906802.db2.gz FGOOHQBSDLHFAY-CYBMUJFWSA-N 1 0 336.396 -1.281 20 0 EAADRO Cc1cnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CN(C)C(=O)N2)cn1 ZINC001279791348 794906964 /nfs/dbraw/zinc/90/69/64/794906964.db2.gz FGOOHQBSDLHFAY-ZDUSSCGKSA-N 1 0 336.396 -1.281 20 0 EAADRO O=C(CN1CCNC(=O)C1)N(CCO)CC[NH2+]C[C@@H]1CCCOC1 ZINC001279791351 794906795 /nfs/dbraw/zinc/90/67/95/794906795.db2.gz FNQDOLPBWOMYBT-AWEZNQCLSA-N 1 0 342.440 -1.745 20 0 EAADRO O=C(CN1CCNC(=O)C1)N(CCO)CC[NH2+]C[C@H]1CCCOC1 ZINC001279791355 794906651 /nfs/dbraw/zinc/90/66/51/794906651.db2.gz FNQDOLPBWOMYBT-CQSZACIVSA-N 1 0 342.440 -1.745 20 0 EAADRO COc1cncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCNC2=O)n1 ZINC001279791491 785300763 /nfs/dbraw/zinc/30/07/63/785300763.db2.gz HEVVWELXDPWXDR-GFCCVEGCSA-N 1 0 337.380 -1.468 20 0 EAADRO COc1cncc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCNC2=O)n1 ZINC001279791492 785299466 /nfs/dbraw/zinc/29/94/66/785299466.db2.gz HEVVWELXDPWXDR-LBPRGKRZSA-N 1 0 337.380 -1.468 20 0 EAADRO C[C@H]1CC[C@@H](C[NH2+]CCN(CCO)C(=O)CN2CCNC(=O)C2)O1 ZINC001279791739 794906950 /nfs/dbraw/zinc/90/69/50/794906950.db2.gz JASOLVKZXQAWII-KBPBESRZSA-N 1 0 342.440 -1.604 20 0 EAADRO C[C@@H]1CC[C@@H](C[NH2+]CCN(CCO)C(=O)CN2CCNC(=O)C2)O1 ZINC001279791740 794907032 /nfs/dbraw/zinc/90/70/32/794907032.db2.gz JASOLVKZXQAWII-KGLIPLIRSA-N 1 0 342.440 -1.604 20 0 EAADRO C[C@H]1CC[C@H](C[NH2+]CCN(CCO)C(=O)CN2CCNC(=O)C2)O1 ZINC001279791741 794906524 /nfs/dbraw/zinc/90/65/24/794906524.db2.gz JASOLVKZXQAWII-UONOGXRCSA-N 1 0 342.440 -1.604 20 0 EAADRO C[C@@H]1CC[C@H](C[NH2+]CCN(CCO)C(=O)CN2CCNC(=O)C2)O1 ZINC001279791742 794906388 /nfs/dbraw/zinc/90/63/88/794906388.db2.gz JASOLVKZXQAWII-ZIAGYGMSSA-N 1 0 342.440 -1.604 20 0 EAADRO Cn1nnnc1CNCCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001279791787 794907474 /nfs/dbraw/zinc/90/74/74/794907474.db2.gz KLZJXQPYFHVAHX-UHFFFAOYSA-N 1 0 339.444 -1.005 20 0 EAADRO O=C(CN1CCNC(=O)C1)N(CCO)CC[NH2+]Cc1cncs1 ZINC001279791924 794906630 /nfs/dbraw/zinc/90/66/30/794906630.db2.gz LRVCURAATHOLRC-UHFFFAOYSA-N 1 0 341.437 -1.515 20 0 EAADRO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1C ZINC001279791938 785299398 /nfs/dbraw/zinc/29/93/98/785299398.db2.gz MDMQUQQUCJYFJG-LBPRGKRZSA-N 1 0 328.413 -1.504 20 0 EAADRO CN1C[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC2CC2)NC1=O ZINC001279791945 794906838 /nfs/dbraw/zinc/90/68/38/794906838.db2.gz MKOYUVWWZBPARS-LLVKDONJSA-N 1 0 327.385 -2.301 20 0 EAADRO CN1C[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC2CC2)NC1=O ZINC001279791950 794907349 /nfs/dbraw/zinc/90/73/49/794907349.db2.gz MKOYUVWWZBPARS-NSHDSACASA-N 1 0 327.385 -2.301 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001279792149 794907381 /nfs/dbraw/zinc/90/73/81/794907381.db2.gz QBGXESREZBWQND-SECBINFHSA-N 1 0 329.357 -3.011 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001279792150 794906718 /nfs/dbraw/zinc/90/67/18/794906718.db2.gz QBGXESREZBWQND-VIFPVBQESA-N 1 0 329.357 -3.011 20 0 EAADRO Cn1c(=O)[nH]cc1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279792228 794907136 /nfs/dbraw/zinc/90/71/36/794907136.db2.gz RWYZCDUOIMWBOB-UHFFFAOYSA-N 1 0 325.369 -1.618 20 0 EAADRO Cc1cc(C[NH2+]CCN(CCO)C(=O)CN2CCNC(=O)C2)on1 ZINC001279792318 785299891 /nfs/dbraw/zinc/29/98/91/785299891.db2.gz UQLSKYFYJAEYAZ-UHFFFAOYSA-N 1 0 339.396 -1.675 20 0 EAADRO C[C@]1(C(=O)N(CCO)CC[NH2+]CC(=O)NC2CC2)CCC(=O)NC1 ZINC001279800542 794907830 /nfs/dbraw/zinc/90/78/30/794907830.db2.gz GFYQEFPAEPIZQE-INIZCTEOSA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@@]1(C(=O)N(CCO)CC[NH2+]CC(=O)NC2CC2)CCC(=O)NC1 ZINC001279800543 794908733 /nfs/dbraw/zinc/90/87/33/794908733.db2.gz GFYQEFPAEPIZQE-MRXNPFEDSA-N 1 0 340.424 -1.408 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001279800619 794908624 /nfs/dbraw/zinc/90/86/24/794908624.db2.gz JCURMOXWZYHCMK-IAZYJMLFSA-N 1 0 328.369 -2.255 20 0 EAADRO CN1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCN(C)C2=O)C1=O ZINC001279800622 794908154 /nfs/dbraw/zinc/90/81/54/794908154.db2.gz JGDOILQEDCMZHO-NEPJUHHUSA-N 1 0 326.397 -1.894 20 0 EAADRO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCN(C)C2=O)C1=O ZINC001279800623 794908715 /nfs/dbraw/zinc/90/87/15/794908715.db2.gz JGDOILQEDCMZHO-NWDGAFQWSA-N 1 0 326.397 -1.894 20 0 EAADRO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCN(C)C2=O)C1=O ZINC001279800624 794908075 /nfs/dbraw/zinc/90/80/75/794908075.db2.gz JGDOILQEDCMZHO-RYUDHWBXSA-N 1 0 326.397 -1.894 20 0 EAADRO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CCN(C)C2=O)C1=O ZINC001279800625 794908381 /nfs/dbraw/zinc/90/83/81/794908381.db2.gz JGDOILQEDCMZHO-VXGBXAGGSA-N 1 0 326.397 -1.894 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001279800848 794908038 /nfs/dbraw/zinc/90/80/38/794908038.db2.gz NUANQXXLOHULNM-LLVKDONJSA-N 1 0 325.369 -1.229 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001279800849 794908513 /nfs/dbraw/zinc/90/85/13/794908513.db2.gz NUANQXXLOHULNM-NSHDSACASA-N 1 0 325.369 -1.229 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CC[NH2+]Cc2ccc(CO)cc2)n1 ZINC001279800850 794908276 /nfs/dbraw/zinc/90/82/76/794908276.db2.gz NWQDMTMVYPEELD-UHFFFAOYSA-N 1 0 334.380 -1.073 20 0 EAADRO Cn1nnc(C(=O)N(CCO)CC[NH2+]Cc2cccc(C(N)=O)c2)n1 ZINC001279801084 794909098 /nfs/dbraw/zinc/90/90/98/794909098.db2.gz RZMKRMUDMDIAIO-UHFFFAOYSA-N 1 0 347.379 -1.467 20 0 EAADRO CN1C(=O)CC[C@H]1C(=O)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001279801444 794908252 /nfs/dbraw/zinc/90/82/52/794908252.db2.gz XFLBXMMFYWUAEX-LBPRGKRZSA-N 1 0 341.412 -1.957 20 0 EAADRO C[C@]1(C(=O)N(CCO)CC[NH2+]CCn2cncn2)CCC(=O)NC1 ZINC001279801460 794908853 /nfs/dbraw/zinc/90/88/53/794908853.db2.gz XPLZFOJFYPEWJP-HNNXBMFYSA-N 1 0 338.412 -1.395 20 0 EAADRO C[C@@]1(C(=O)N(CCO)CC[NH2+]CCn2cncn2)CCC(=O)NC1 ZINC001279801461 794907794 /nfs/dbraw/zinc/90/77/94/794907794.db2.gz XPLZFOJFYPEWJP-OAHLLOKOSA-N 1 0 338.412 -1.395 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]CC(=O)NC1CCCCCC1 ZINC001279809519 785321937 /nfs/dbraw/zinc/32/19/37/785321937.db2.gz ILNWIZDAAFOLCX-UHFFFAOYSA-N 1 0 328.413 -1.279 20 0 EAADRO CN(C)C(=O)c1ccc(C[NH2+]CCN(CCO)C(=O)C(N)=O)cc1 ZINC001279809651 794908055 /nfs/dbraw/zinc/90/80/55/794908055.db2.gz JJTSISRUGIXPTF-UHFFFAOYSA-N 1 0 336.392 -1.216 20 0 EAADRO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279809681 785321880 /nfs/dbraw/zinc/32/18/80/785321880.db2.gz KFZGHCADARVPAG-NEPJUHHUSA-N 1 0 328.413 -1.423 20 0 EAADRO C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279809682 785323609 /nfs/dbraw/zinc/32/36/09/785323609.db2.gz KFZGHCADARVPAG-NWDGAFQWSA-N 1 0 328.413 -1.423 20 0 EAADRO C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279809683 785323401 /nfs/dbraw/zinc/32/34/01/785323401.db2.gz KFZGHCADARVPAG-RYUDHWBXSA-N 1 0 328.413 -1.423 20 0 EAADRO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279809684 785322606 /nfs/dbraw/zinc/32/26/06/785322606.db2.gz KFZGHCADARVPAG-VXGBXAGGSA-N 1 0 328.413 -1.423 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1cnc(C)n1C ZINC001279809712 794908486 /nfs/dbraw/zinc/90/84/86/794908486.db2.gz LKFGXSSFUCOOJV-UHFFFAOYSA-N 1 0 340.384 -1.792 20 0 EAADRO CN(Cc1ccco1)C(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279809920 794908004 /nfs/dbraw/zinc/90/80/04/794908004.db2.gz LXWYBZRPZAUTMK-UHFFFAOYSA-N 1 0 326.353 -1.866 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2cccnc21 ZINC001279809978 794909132 /nfs/dbraw/zinc/90/91/32/794909132.db2.gz NVKPMMHEHVMOOH-GFCCVEGCSA-N 1 0 349.391 -1.283 20 0 EAADRO NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCc2cccnc21 ZINC001279809979 794908013 /nfs/dbraw/zinc/90/80/13/794908013.db2.gz NVKPMMHEHVMOOH-LBPRGKRZSA-N 1 0 349.391 -1.283 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CCN(CCO)C(=O)C1(C(N)=O)CC1 ZINC001279810174 794909048 /nfs/dbraw/zinc/90/90/48/794909048.db2.gz OTZYXGRBZRLPST-UHFFFAOYSA-N 1 0 328.413 -1.423 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N(CCO)CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001279810445 794908190 /nfs/dbraw/zinc/90/81/90/794908190.db2.gz QSUKNMWVYJUFFH-NEPJUHHUSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N(CCO)CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001279810448 794907922 /nfs/dbraw/zinc/90/79/22/794907922.db2.gz QSUKNMWVYJUFFH-NWDGAFQWSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N(CCO)CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001279810450 794908315 /nfs/dbraw/zinc/90/83/15/794908315.db2.gz QSUKNMWVYJUFFH-RYUDHWBXSA-N 1 0 341.412 -2.005 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N(CCO)CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001279810451 794908523 /nfs/dbraw/zinc/90/85/23/794908523.db2.gz QSUKNMWVYJUFFH-VXGBXAGGSA-N 1 0 341.412 -2.005 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001279810588 785323131 /nfs/dbraw/zinc/32/31/31/785323131.db2.gz RQUDESZMZAVHPI-LLVKDONJSA-N 1 0 338.412 -1.924 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001279810596 785323492 /nfs/dbraw/zinc/32/34/92/785323492.db2.gz RQUDESZMZAVHPI-NSHDSACASA-N 1 0 338.412 -1.924 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccnc2c1nnn2C ZINC001279810875 794908913 /nfs/dbraw/zinc/90/89/13/794908913.db2.gz UZMNRXLLIOENNF-UHFFFAOYSA-N 1 0 349.395 -1.477 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC001279810886 794908123 /nfs/dbraw/zinc/90/81/23/794908123.db2.gz VEUNDOZSZBDELZ-CYBMUJFWSA-N 1 0 334.376 -1.312 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC001279810887 794908999 /nfs/dbraw/zinc/90/89/99/794908999.db2.gz VEUNDOZSZBDELZ-ZDUSSCGKSA-N 1 0 334.376 -1.312 20 0 EAADRO C[C@@H]([NH2+]CCN(CCO)C(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001279810904 794908948 /nfs/dbraw/zinc/90/89/48/794908948.db2.gz VNPYALMUUZCXLJ-GFCCVEGCSA-N 1 0 342.440 -1.033 20 0 EAADRO C[C@H]([NH2+]CCN(CCO)C(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001279810905 794907955 /nfs/dbraw/zinc/90/79/55/794907955.db2.gz VNPYALMUUZCXLJ-LBPRGKRZSA-N 1 0 342.440 -1.033 20 0 EAADRO COc1cncc(C[NH2+]CCN(CCO)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001279811634 794908968 /nfs/dbraw/zinc/90/89/68/794908968.db2.gz ZPNFSFJTGGHPMW-LLVKDONJSA-N 1 0 338.368 -1.923 20 0 EAADRO COc1cncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001279811637 794907863 /nfs/dbraw/zinc/90/78/63/794907863.db2.gz ZPNFSFJTGGHPMW-NSHDSACASA-N 1 0 338.368 -1.923 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1n[nH]cc1F ZINC001279820233 785337291 /nfs/dbraw/zinc/33/72/91/785337291.db2.gz JHTBMTROOWIGRR-UHFFFAOYSA-N 1 0 344.347 -1.581 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC001279820462 785338986 /nfs/dbraw/zinc/33/89/86/785338986.db2.gz LEZXGKUWGWRPGU-GFCCVEGCSA-N 1 0 331.319 -1.106 20 0 EAADRO NC(=O)C(=O)N(CCO)CC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC001279820463 785339201 /nfs/dbraw/zinc/33/92/01/785339201.db2.gz LEZXGKUWGWRPGU-LBPRGKRZSA-N 1 0 331.319 -1.106 20 0 EAADRO CCn1nncc1C[NH2+]CCN(CCO)C(=O)c1cn(C)c(=O)[nH]1 ZINC001279820497 794908431 /nfs/dbraw/zinc/90/84/31/794908431.db2.gz MDKGHWDLUKNRBT-UHFFFAOYSA-N 1 0 337.384 -1.039 20 0 EAADRO Cn1cc(C(=O)N(CCO)CC[NH2+]C[C@H]2CCc3ncnn32)[nH]c1=O ZINC001279820892 794908901 /nfs/dbraw/zinc/90/89/01/794908901.db2.gz QBJXACRGEHNJJV-LLVKDONJSA-N 1 0 349.395 -1.071 20 0 EAADRO Cn1cc(C(=O)N(CCO)CC[NH2+]C[C@@H]2CCc3ncnn32)[nH]c1=O ZINC001279820894 794909084 /nfs/dbraw/zinc/90/90/84/794909084.db2.gz QBJXACRGEHNJJV-NSHDSACASA-N 1 0 349.395 -1.071 20 0 EAADRO Cn1cc(C(=O)N(CCO)CC[NH2+]CCN2CCCC2=O)[nH]c1=O ZINC001279821296 794909142 /nfs/dbraw/zinc/90/91/42/794909142.db2.gz WNZNDQOICUXUDI-UHFFFAOYSA-N 1 0 339.396 -1.228 20 0 EAADRO COCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001279830479 794908141 /nfs/dbraw/zinc/90/81/41/794908141.db2.gz CMWNWEGQKFMJNK-GFCCVEGCSA-N 1 0 326.401 -1.318 20 0 EAADRO COCC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001279830480 794909061 /nfs/dbraw/zinc/90/90/61/794909061.db2.gz CMWNWEGQKFMJNK-LBPRGKRZSA-N 1 0 326.401 -1.318 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001279830528 794908813 /nfs/dbraw/zinc/90/88/13/794908813.db2.gz DXUJMFUVQICQAI-WDEREUQCSA-N 1 0 330.385 -2.482 20 0 EAADRO Cn1c(=O)cccc1C(=O)N(CCO)CC[NH2+]CCn1cncn1 ZINC001279830654 785347546 /nfs/dbraw/zinc/34/75/46/785347546.db2.gz JLEYWXADNZXTMR-UHFFFAOYSA-N 1 0 334.380 -1.299 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001279830671 785348581 /nfs/dbraw/zinc/34/85/81/785348581.db2.gz JYLCPKHGMZPQDJ-LLVKDONJSA-N 1 0 339.400 -2.218 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001279830672 785350238 /nfs/dbraw/zinc/35/02/38/785350238.db2.gz JYLCPKHGMZPQDJ-NSHDSACASA-N 1 0 339.400 -2.218 20 0 EAADRO C[C@]1(C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001279830831 794908544 /nfs/dbraw/zinc/90/85/44/794908544.db2.gz PJROEWUHRRBGTP-BMIGLBTASA-N 1 0 340.380 -2.272 20 0 EAADRO C[C@]1(C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001279830832 794908697 /nfs/dbraw/zinc/90/86/97/794908697.db2.gz PJROEWUHRRBGTP-BONVTDFDSA-N 1 0 340.380 -2.272 20 0 EAADRO C[C@@]1(C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001279830833 794908504 /nfs/dbraw/zinc/90/85/04/794908504.db2.gz PJROEWUHRRBGTP-MEBBXXQBSA-N 1 0 340.380 -2.272 20 0 EAADRO C[C@@]1(C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001279830834 794907940 /nfs/dbraw/zinc/90/79/40/794907940.db2.gz PJROEWUHRRBGTP-ZUZCIYMTSA-N 1 0 340.380 -2.272 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc2ncn(C)c2n1 ZINC001279830839 794909117 /nfs/dbraw/zinc/90/91/17/794909117.db2.gz PRRHESFTJSYRFW-UHFFFAOYSA-N 1 0 334.380 -1.262 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001279830904 785349603 /nfs/dbraw/zinc/34/96/03/785349603.db2.gz SCDCFKIOFOXEGL-INIZCTEOSA-N 1 0 342.440 -1.210 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001279830905 785349535 /nfs/dbraw/zinc/34/95/35/785349535.db2.gz SCDCFKIOFOXEGL-MRXNPFEDSA-N 1 0 342.440 -1.210 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)c1cc(-n2cccn2)ccn1 ZINC001279831127 794909070 /nfs/dbraw/zinc/90/90/70/794909070.db2.gz VIPMORSEYMFAQL-UHFFFAOYSA-N 1 0 332.364 -1.223 20 0 EAADRO Cn1c(=O)cccc1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279831524 794908959 /nfs/dbraw/zinc/90/89/59/794908959.db2.gz ZMWOLNZVULXVST-UHFFFAOYSA-N 1 0 336.392 -1.358 20 0 EAADRO C[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)N(C)C)[C@@H]1CCC(=O)N1 ZINC001279838880 794908288 /nfs/dbraw/zinc/90/82/88/794908288.db2.gz QPYVMKSQIDHKPL-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO C[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)N(C)C)[C@H]1CCC(=O)N1 ZINC001279838881 794908232 /nfs/dbraw/zinc/90/82/32/794908232.db2.gz QPYVMKSQIDHKPL-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO C[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)N(C)C)[C@@H]1CCC(=O)N1 ZINC001279838882 794908214 /nfs/dbraw/zinc/90/82/14/794908214.db2.gz QPYVMKSQIDHKPL-RYUDHWBXSA-N 1 0 328.413 -1.600 20 0 EAADRO C[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)N(C)C)[C@H]1CCC(=O)N1 ZINC001279838883 794908327 /nfs/dbraw/zinc/90/83/27/794908327.db2.gz QPYVMKSQIDHKPL-VXGBXAGGSA-N 1 0 328.413 -1.600 20 0 EAADRO O=C(C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1)N1CCC1 ZINC001279845619 785439699 /nfs/dbraw/zinc/43/96/99/785439699.db2.gz AXLNNPUVDISRKD-JTQLQIEISA-N 1 0 341.368 -2.773 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001279845666 794908984 /nfs/dbraw/zinc/90/89/84/794908984.db2.gz CZVALZYOOLVTIQ-VIFPVBQESA-N 1 0 329.357 -2.917 20 0 EAADRO Cc1cncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC001279846175 794909014 /nfs/dbraw/zinc/90/90/14/794909014.db2.gz HKTYWIVTGOZRPQ-ZDUSSCGKSA-N 1 0 349.391 -1.101 20 0 EAADRO C[C@H](O)C[NH2+]CCN(CCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001279848617 794910012 /nfs/dbraw/zinc/91/00/12/794910012.db2.gz VMMXQOKMJPSEDG-JTQLQIEISA-N 1 0 328.369 -2.511 20 0 EAADRO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001279848623 794909900 /nfs/dbraw/zinc/90/99/00/794909900.db2.gz VMMXQOKMJPSEDG-SNVBAGLBSA-N 1 0 328.369 -2.511 20 0 EAADRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cnc2cccnn21 ZINC001279848944 785446388 /nfs/dbraw/zinc/44/63/88/785446388.db2.gz WEXJROIVCYNQRK-UHFFFAOYSA-N 1 0 334.380 -1.111 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N(CCO)CC[NH2+]C/C=C\Cl)C1=O ZINC001279849007 794909915 /nfs/dbraw/zinc/90/99/15/794909915.db2.gz YMHHEYQYHUTQHN-IHWYPQMZSA-N 1 0 346.771 -1.430 20 0 EAADRO CN1C(=O)C(=O)N(CC(=O)N(CCO)CC[NH2+]C/C=C/Cl)C1=O ZINC001279849008 794909634 /nfs/dbraw/zinc/90/96/34/794909634.db2.gz YMHHEYQYHUTQHN-NSCUHMNNSA-N 1 0 346.771 -1.430 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001279857403 794910209 /nfs/dbraw/zinc/91/02/09/794910209.db2.gz CAVCCCCGXYLFNV-UHFFFAOYSA-N 1 0 336.352 -1.795 20 0 EAADRO O=C(N(CCO)CC[NH2+]CC1CC1)C1(n2cnnn2)CCOCC1 ZINC001279857610 794910163 /nfs/dbraw/zinc/91/01/63/794910163.db2.gz DXYCCCPRIHXNRN-UHFFFAOYSA-N 1 0 338.412 -1.001 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001279857720 794910554 /nfs/dbraw/zinc/91/05/54/794910554.db2.gz IDLWHXNBWZCUCN-LLVKDONJSA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001279857821 794909652 /nfs/dbraw/zinc/90/96/52/794909652.db2.gz IDLWHXNBWZCUCN-NSHDSACASA-N 1 0 326.397 -1.846 20 0 EAADRO CNC(=O)C1(C(=O)N(CCO)CC[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001279857909 785454748 /nfs/dbraw/zinc/45/47/48/785454748.db2.gz JHRLMWNQZQLYQA-UHFFFAOYSA-N 1 0 342.440 -1.162 20 0 EAADRO Cn1ncc(C(=O)N(CCO)CC[NH2+]CC(=O)N2CCOCC2)n1 ZINC001279858145 785455266 /nfs/dbraw/zinc/45/52/66/785455266.db2.gz MRGHBEPUVLXTSI-UHFFFAOYSA-N 1 0 340.384 -2.302 20 0 EAADRO CC(C)(C)CNC(=O)C[NH2+]CCN(CCO)C(=O)c1nc[nH]n1 ZINC001279858260 785455297 /nfs/dbraw/zinc/45/52/97/785455297.db2.gz NYJAHQZLPAVQKU-UHFFFAOYSA-N 1 0 326.401 -1.009 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc(-n2ccnc2)nn1 ZINC001279858298 794910105 /nfs/dbraw/zinc/91/01/05/794910105.db2.gz PDJIMZUKGSQEQD-UHFFFAOYSA-N 1 0 347.379 -1.568 20 0 EAADRO CC(=O)NC1(C(=O)N(CCO)CC[NH2+]CC(=O)N(C)C)CCCC1 ZINC001279858370 794910095 /nfs/dbraw/zinc/91/00/95/794910095.db2.gz SBCVYCDELHHSHU-UHFFFAOYSA-N 1 0 342.440 -1.066 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)c1ccncn1 ZINC001279858425 785455942 /nfs/dbraw/zinc/45/59/42/785455942.db2.gz UEVUJGCPOWQBMP-UHFFFAOYSA-N 1 0 338.368 -1.654 20 0 EAADRO CCn1nc(C(=O)N(CCO)CC[NH2+]Cc2cnnn2C)ccc1=O ZINC001279858527 794909759 /nfs/dbraw/zinc/90/97/59/794909759.db2.gz UOXBHSNEDZDXSL-UHFFFAOYSA-N 1 0 349.395 -1.384 20 0 EAADRO Cc1oncc1C[NH2+]CCN(CCO)C(=O)C1CC(=O)NC(=O)C1 ZINC001279858563 785456197 /nfs/dbraw/zinc/45/61/97/785456197.db2.gz VXDQPMXWYZPQCK-UHFFFAOYSA-N 1 0 338.364 -1.054 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCO[C@H](C)C1 ZINC001279867520 794910302 /nfs/dbraw/zinc/91/03/02/794910302.db2.gz BKFLFBRWSCBXEK-NEPJUHHUSA-N 1 0 344.412 -1.332 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001279867521 794910523 /nfs/dbraw/zinc/91/05/23/794910523.db2.gz BKFLFBRWSCBXEK-NWDGAFQWSA-N 1 0 344.412 -1.332 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001279867522 794909796 /nfs/dbraw/zinc/90/97/96/794909796.db2.gz BKFLFBRWSCBXEK-RYUDHWBXSA-N 1 0 344.412 -1.332 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC001279867523 785459924 /nfs/dbraw/zinc/45/99/24/785459924.db2.gz BKFLFBRWSCBXEK-VXGBXAGGSA-N 1 0 344.412 -1.332 20 0 EAADRO C[C@]1(C(=O)N(CCO)CC[NH2+]CCN2C(=O)CNC2=O)CCOC1 ZINC001279867545 794909406 /nfs/dbraw/zinc/90/94/06/794909406.db2.gz CHOLJXCVSIZEFA-HNNXBMFYSA-N 1 0 342.396 -1.625 20 0 EAADRO C[C@@]1(C(=O)N(CCO)CC[NH2+]CCN2C(=O)CNC2=O)CCOC1 ZINC001279867546 794910521 /nfs/dbraw/zinc/91/05/21/794910521.db2.gz CHOLJXCVSIZEFA-OAHLLOKOSA-N 1 0 342.396 -1.625 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCOC1 ZINC001279868042 785461972 /nfs/dbraw/zinc/46/19/72/785461972.db2.gz GKNLOJYIDRQXFI-AWEZNQCLSA-N 1 0 330.385 -1.721 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCOC1 ZINC001279868043 785461828 /nfs/dbraw/zinc/46/18/28/785461828.db2.gz GKNLOJYIDRQXFI-CQSZACIVSA-N 1 0 330.385 -1.721 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)Cc1ncc[nH]1 ZINC001279868507 794909997 /nfs/dbraw/zinc/90/99/97/794909997.db2.gz IWLZBMUXPLSWMI-UHFFFAOYSA-N 1 0 326.357 -2.182 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCO[C@@H]1C ZINC001279869211 794910019 /nfs/dbraw/zinc/91/00/19/794910019.db2.gz NNWOBIRACPWVSK-NEPJUHHUSA-N 1 0 344.412 -1.332 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCO[C@H]1C ZINC001279869213 794910496 /nfs/dbraw/zinc/91/04/96/794910496.db2.gz NNWOBIRACPWVSK-NWDGAFQWSA-N 1 0 344.412 -1.332 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCO[C@H]1C ZINC001279869215 794910333 /nfs/dbraw/zinc/91/03/33/794910333.db2.gz NNWOBIRACPWVSK-RYUDHWBXSA-N 1 0 344.412 -1.332 20 0 EAADRO CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCO[C@@H]1C ZINC001279869218 794910532 /nfs/dbraw/zinc/91/05/32/794910532.db2.gz NNWOBIRACPWVSK-VXGBXAGGSA-N 1 0 344.412 -1.332 20 0 EAADRO O=C(c1ncccn1)N(CCO)CC[NH2+]CCN1C(=O)CCC1=O ZINC001279870251 794910425 /nfs/dbraw/zinc/91/04/25/794910425.db2.gz ZMNGWOWDDZPZHX-UHFFFAOYSA-N 1 0 335.364 -1.350 20 0 EAADRO CN(C)C(=O)C1CCC(C(=O)N(CCO)CC[NH2+]CC(N)=O)CC1 ZINC001279878396 794909821 /nfs/dbraw/zinc/90/98/21/794909821.db2.gz AEHJQHHGZYNAFW-UHFFFAOYSA-N 1 0 342.440 -1.223 20 0 EAADRO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCCN(C)C1=O)C(N)=O ZINC001279878746 794909515 /nfs/dbraw/zinc/90/95/15/794909515.db2.gz LIRNHSPKUYKGSY-NEPJUHHUSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCCN(C)C1=O)C(N)=O ZINC001279878747 794909503 /nfs/dbraw/zinc/90/95/03/794909503.db2.gz LIRNHSPKUYKGSY-NWDGAFQWSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCCN(C)C1=O)C(N)=O ZINC001279878748 794910237 /nfs/dbraw/zinc/91/02/37/794910237.db2.gz LIRNHSPKUYKGSY-RYUDHWBXSA-N 1 0 328.413 -1.471 20 0 EAADRO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCCN(C)C1=O)C(N)=O ZINC001279878749 794910397 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CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001279879108 785471376 /nfs/dbraw/zinc/47/13/76/785471376.db2.gz SMLGMKOENPXLIA-NHYWBVRUSA-N 1 0 342.396 -1.721 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001279879187 785471739 /nfs/dbraw/zinc/47/17/39/785471739.db2.gz SMLGMKOENPXLIA-XHDPSFHLSA-N 1 0 342.396 -1.721 20 0 EAADRO O=C(CN1CCC(=O)NC1=O)N(CCO)CC[NH2+]Cc1cccnc1 ZINC001279879203 794910508 /nfs/dbraw/zinc/91/05/08/794910508.db2.gz SZIPMBGGZZQUPN-UHFFFAOYSA-N 1 0 349.391 -1.066 20 0 EAADRO CN1C(=O)CN(CC(=O)N(CCO)CC[NH2+]Cc2cccnc2)C1=O ZINC001279879210 794910179 /nfs/dbraw/zinc/91/01/79/794910179.db2.gz TYQFUVGGVSKBHX-UHFFFAOYSA-N 1 0 349.391 -1.114 20 0 EAADRO Cc1cc(=O)c(C(=O)N(CCO)CC[NH2+]CCn2cncn2)c[nH]1 ZINC001279879235 794909396 /nfs/dbraw/zinc/90/93/96/794909396.db2.gz UWHUVUIVLLUNTP-UHFFFAOYSA-N 1 0 334.380 -1.001 20 0 EAADRO CNC(=O)C[NH2+]CCN(CCO)C(=O)CS(=O)(=O)C(C)(C)C ZINC001279879540 794910440 /nfs/dbraw/zinc/91/04/40/794910440.db2.gz YPVBKJCXRLHUMW-UHFFFAOYSA-N 1 0 337.442 -1.644 20 0 EAADRO O=C(Cc1nnc[nH]1)N(CCO)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001279879545 794910516 /nfs/dbraw/zinc/91/05/16/794910516.db2.gz YSALBOFXNTYOOR-LLVKDONJSA-N 1 0 345.425 -1.808 20 0 EAADRO O=C(Cc1nnc[nH]1)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001279879546 794910297 /nfs/dbraw/zinc/91/02/97/794910297.db2.gz YSALBOFXNTYOOR-NSHDSACASA-N 1 0 345.425 -1.808 20 0 EAADRO Cc1cnoc1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCOCC1 ZINC001279879575 794910250 /nfs/dbraw/zinc/91/02/50/794910250.db2.gz ZYWWVNWZZJHSCT-UHFFFAOYSA-N 1 0 340.380 -1.134 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N(CCO)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001279885709 794910172 /nfs/dbraw/zinc/91/01/72/794910172.db2.gz AZDYVEVNLVXAFK-UWVGGRQHSA-N 1 0 341.330 -1.011 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N(CCO)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC001279885711 794909580 /nfs/dbraw/zinc/90/95/80/794909580.db2.gz AZDYVEVNLVXAFK-ZJUUUORDSA-N 1 0 341.330 -1.011 20 0 EAADRO CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)c1cccn(C)c1=O ZINC001279885773 794910122 /nfs/dbraw/zinc/91/01/22/794910122.db2.gz CGHRXERNNARHGX-UHFFFAOYSA-N 1 0 338.408 -1.066 20 0 EAADRO COc1ccccc1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001279885966 785477845 /nfs/dbraw/zinc/47/78/45/785477845.db2.gz FFTOYFXZUDFWPQ-UHFFFAOYSA-N 1 0 338.364 -1.086 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C1(C(=O)NC)CCC1 ZINC001279886007 794910564 /nfs/dbraw/zinc/91/05/64/794910564.db2.gz FSTGDJPZWRDNJB-LLVKDONJSA-N 1 0 328.413 -1.552 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C1(C(=O)NC)CCC1 ZINC001279886009 785477830 /nfs/dbraw/zinc/47/78/30/785477830.db2.gz FSTGDJPZWRDNJB-NSHDSACASA-N 1 0 328.413 -1.552 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001279886034 785477762 /nfs/dbraw/zinc/47/77/62/785477762.db2.gz GRDNINCARKGXIO-UWVGGRQHSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001279886035 785477957 /nfs/dbraw/zinc/47/79/57/785477957.db2.gz GRDNINCARKGXIO-ZJUUUORDSA-N 1 0 326.353 -2.519 20 0 EAADRO Cn1cccc(C(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)c1=O ZINC001279886247 794909715 /nfs/dbraw/zinc/90/97/15/794909715.db2.gz IIAGSCMCVKTEDP-UHFFFAOYSA-N 1 0 336.392 -1.358 20 0 EAADRO NC(=O)C[NH2+]CCN(CCO)C(=O)CN1Cc2ccccc2C1=O ZINC001279886294 794910572 /nfs/dbraw/zinc/91/05/72/794910572.db2.gz JKBJYMMWLOSEAP-UHFFFAOYSA-N 1 0 334.376 -1.462 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N(CCO)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001279886345 794910359 /nfs/dbraw/zinc/91/03/59/794910359.db2.gz LJLLDKSCBBYUFH-NEPJUHHUSA-N 1 0 347.437 -1.890 20 0 EAADRO O=C([C@@H]1CCC(=O)N1)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001279886346 794910432 /nfs/dbraw/zinc/91/04/32/794910432.db2.gz LJLLDKSCBBYUFH-RYUDHWBXSA-N 1 0 347.437 -1.890 20 0 EAADRO O=C(c1cnn2cc[nH]c12)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001279892117 794909748 /nfs/dbraw/zinc/90/97/48/794909748.db2.gz GINHVQDIEVXCNI-LLVKDONJSA-N 1 0 348.363 -1.508 20 0 EAADRO O=C(c1cnn2cc[nH]c12)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001279892119 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Cn1cc(C[NH2+]CCN(CCO)C(=O)CN2C(=O)CNC2=O)cn1 ZINC001279901097 794911971 /nfs/dbraw/zinc/91/19/71/794911971.db2.gz CQLYYPMSGRJPGN-UHFFFAOYSA-N 1 0 338.368 -2.118 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001279901103 794911242 /nfs/dbraw/zinc/91/12/42/794911242.db2.gz CRNRNFQKUXYSII-NXEZZACHSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001279901105 794911666 /nfs/dbraw/zinc/91/16/66/794911666.db2.gz CRNRNFQKUXYSII-UWVGGRQHSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001279901106 794911938 /nfs/dbraw/zinc/91/19/38/794911938.db2.gz CRNRNFQKUXYSII-VHSXEESVSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001279901108 794911368 /nfs/dbraw/zinc/91/13/68/794911368.db2.gz CRNRNFQKUXYSII-ZJUUUORDSA-N 1 0 341.368 -2.726 20 0 EAADRO Cc1ncccc1C[NH2+]CCN(CCO)C(=O)CN1C(=O)CNC1=O ZINC001279901180 794912121 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O=C(C[C@@H]1CC(=O)NC1=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001279919138 785494846 /nfs/dbraw/zinc/49/48/46/785494846.db2.gz BHBJPUBZKOFZIS-VHSXEESVSA-N 1 0 326.353 -2.662 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001279919139 785495406 /nfs/dbraw/zinc/49/54/06/785495406.db2.gz BHBJPUBZKOFZIS-ZJUUUORDSA-N 1 0 326.353 -2.662 20 0 EAADRO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)c1ccc(C(N)=O)nc1 ZINC001279919318 785495333 /nfs/dbraw/zinc/49/53/33/785495333.db2.gz DZCUDCNIIAOIKL-UHFFFAOYSA-N 1 0 337.380 -1.707 20 0 EAADRO Cn1cncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001279919535 794911531 /nfs/dbraw/zinc/91/15/31/794911531.db2.gz IPHQFORCAXRDFF-ZDUSSCGKSA-N 1 0 338.412 -1.126 20 0 EAADRO Cc1nonc1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CCC1=O ZINC001279919549 785494798 /nfs/dbraw/zinc/49/47/98/785494798.db2.gz IYJIBRSURKFFRN-UHFFFAOYSA-N 1 0 339.352 -1.449 20 0 EAADRO Cc1ncoc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CC(=O)NC1=O ZINC001279919565 785495067 /nfs/dbraw/zinc/49/50/67/785495067.db2.gz 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CNC(=O)NCC(=O)N1CC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001280060940 785559255 /nfs/dbraw/zinc/55/92/55/785559255.db2.gz AANVPNNSEAKMJQ-LLVKDONJSA-N 1 0 334.442 -1.212 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001280060947 785559626 /nfs/dbraw/zinc/55/96/26/785559626.db2.gz AANVPNNSEAKMJQ-NSHDSACASA-N 1 0 334.442 -1.212 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001280063021 794912944 /nfs/dbraw/zinc/91/29/44/794912944.db2.gz RPRROFZRMFNOMO-GFCCVEGCSA-N 1 0 340.428 -1.231 20 0 EAADRO CNC(=O)NCC(=O)N1CC[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001280063022 794912961 /nfs/dbraw/zinc/91/29/61/794912961.db2.gz RPRROFZRMFNOMO-LBPRGKRZSA-N 1 0 340.428 -1.231 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001280072588 794912959 /nfs/dbraw/zinc/91/29/59/794912959.db2.gz GXHNBNNNPQBXLU-NEPJUHHUSA-N 1 0 349.395 -1.296 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001280072592 794912796 /nfs/dbraw/zinc/91/27/96/794912796.db2.gz GXHNBNNNPQBXLU-RYUDHWBXSA-N 1 0 349.395 -1.296 20 0 EAADRO Cn1nnnc1C[NH2+]CC[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001280073265 794912377 /nfs/dbraw/zinc/91/23/77/794912377.db2.gz NOMUGCQRUNCXLX-LLVKDONJSA-N 1 0 346.395 -1.054 20 0 EAADRO Cn1nnnc1C[NH2+]CC[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001280073266 794912670 /nfs/dbraw/zinc/91/26/70/794912670.db2.gz NOMUGCQRUNCXLX-NSHDSACASA-N 1 0 346.395 -1.054 20 0 EAADRO Cn1[nH]c(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nc1=O ZINC001280083453 794912434 /nfs/dbraw/zinc/91/24/34/794912434.db2.gz KRFOHVFKFIRBJW-JTQLQIEISA-N 1 0 338.412 -1.052 20 0 EAADRO Cn1[nH]c(C[NH2+]CC[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nc1=O ZINC001280083455 794912770 /nfs/dbraw/zinc/91/27/70/794912770.db2.gz KRFOHVFKFIRBJW-SNVBAGLBSA-N 1 0 338.412 -1.052 20 0 EAADRO Cn1cc(C[NH2+]CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001280093981 794914030 /nfs/dbraw/zinc/91/40/30/794914030.db2.gz GBEWZNGZVLMJJE-GFCCVEGCSA-N 1 0 348.411 -1.261 20 0 EAADRO Cn1cc(C[NH2+]CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001280093982 794914207 /nfs/dbraw/zinc/91/42/07/794914207.db2.gz GBEWZNGZVLMJJE-LBPRGKRZSA-N 1 0 348.411 -1.261 20 0 EAADRO C[NH+](C)CCC(=O)NC1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001280107973 794913853 /nfs/dbraw/zinc/91/38/53/794913853.db2.gz YUEJCAJXKLMWIC-ILDUYXDCSA-N 1 0 339.396 -1.453 20 0 EAADRO C[NH+](C)CCC(=O)NCC1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001280123387 794914287 /nfs/dbraw/zinc/91/42/87/794914287.db2.gz FOMSJSJEDCHFGX-UHFFFAOYSA-N 1 0 339.396 -1.499 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H](CC[NH2+]CCCO)C1 ZINC001280128978 785568213 /nfs/dbraw/zinc/56/82/13/785568213.db2.gz SNSCMLCYKVQZAD-NEPJUHHUSA-N 1 0 347.437 -1.890 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H](CC[NH2+]CCCO)C1 ZINC001280128984 785568312 /nfs/dbraw/zinc/56/83/12/785568312.db2.gz SNSCMLCYKVQZAD-RYUDHWBXSA-N 1 0 347.437 -1.890 20 0 EAADRO NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001280141461 794913904 /nfs/dbraw/zinc/91/39/04/794913904.db2.gz QEFVZDGNJAHQNW-GFCCVEGCSA-N 1 0 346.391 -1.191 20 0 EAADRO NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001280141462 794914187 /nfs/dbraw/zinc/91/41/87/794914187.db2.gz QEFVZDGNJAHQNW-LBPRGKRZSA-N 1 0 346.391 -1.191 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001280150660 785573546 /nfs/dbraw/zinc/57/35/46/785573546.db2.gz BSUBQTABQDGMFK-UONOGXRCSA-N 1 0 342.440 -1.746 20 0 EAADRO COC[C@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001280150664 785573607 /nfs/dbraw/zinc/57/36/07/785573607.db2.gz BSUBQTABQDGMFK-ZIAGYGMSSA-N 1 0 342.440 -1.746 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@H](CC[NH2+]CCS(C)(=O)=O)C2)n1 ZINC001280151670 794914224 /nfs/dbraw/zinc/91/42/24/794914224.db2.gz HUYQUPFRKRLHGO-JTQLQIEISA-N 1 0 330.414 -1.304 20 0 EAADRO Cn1nnc(C(=O)N2CC[C@@H](CC[NH2+]CCS(C)(=O)=O)C2)n1 ZINC001280151671 794914130 /nfs/dbraw/zinc/91/41/30/794914130.db2.gz HUYQUPFRKRLHGO-SNVBAGLBSA-N 1 0 330.414 -1.304 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001280152880 794914169 /nfs/dbraw/zinc/91/41/69/794914169.db2.gz NTQJTYBLSPFSAI-NEPJUHHUSA-N 1 0 325.413 -1.026 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001280152881 794914071 /nfs/dbraw/zinc/91/40/71/794914071.db2.gz NTQJTYBLSPFSAI-NWDGAFQWSA-N 1 0 325.413 -1.026 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001280152882 794914040 /nfs/dbraw/zinc/91/40/40/794914040.db2.gz NTQJTYBLSPFSAI-RYUDHWBXSA-N 1 0 325.413 -1.026 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001280152883 785573200 /nfs/dbraw/zinc/57/32/00/785573200.db2.gz NTQJTYBLSPFSAI-VXGBXAGGSA-N 1 0 325.413 -1.026 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001280196732 794913812 /nfs/dbraw/zinc/91/38/12/794913812.db2.gz BJMQKHZQFMUOLL-TUAOUCFPSA-N 1 0 346.453 -1.515 20 0 EAADRO CS(=O)(=O)NCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001280196738 794914214 /nfs/dbraw/zinc/91/42/14/794914214.db2.gz BJMQKHZQFMUOLL-UTUOFQBUSA-N 1 0 346.453 -1.515 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280208778 794914046 /nfs/dbraw/zinc/91/40/46/794914046.db2.gz VICSLERPDUELKN-JTQLQIEISA-N 1 0 335.430 -2.304 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280208781 794913882 /nfs/dbraw/zinc/91/38/82/794913882.db2.gz VICSLERPDUELKN-SNVBAGLBSA-N 1 0 335.430 -2.304 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001280208938 794914027 /nfs/dbraw/zinc/91/40/27/794914027.db2.gz WOPNXFNOXPWCIF-MNOVXSKESA-N 1 0 339.396 -1.451 20 0 EAADRO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001280208941 794913948 /nfs/dbraw/zinc/91/39/48/794913948.db2.gz WOPNXFNOXPWCIF-QWRGUYRKSA-N 1 0 339.396 -1.451 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001280209122 794913996 /nfs/dbraw/zinc/91/39/96/794913996.db2.gz YAWLKODIRJTHNU-NEPJUHHUSA-N 1 0 349.395 -1.296 20 0 EAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001280209126 794914065 /nfs/dbraw/zinc/91/40/65/794914065.db2.gz YAWLKODIRJTHNU-RYUDHWBXSA-N 1 0 349.395 -1.296 20 0 EAADRO O=C(N1CC[C@@H](CC[NH2+]CCO)C1)C1(n2cnnn2)CCOCC1 ZINC001280231460 794913941 /nfs/dbraw/zinc/91/39/41/794913941.db2.gz UCDPLNHPIINSEY-CYBMUJFWSA-N 1 0 338.412 -1.001 20 0 EAADRO O=C(N1CC[C@H](CC[NH2+]CCO)C1)C1(n2cnnn2)CCOCC1 ZINC001280231462 794914113 /nfs/dbraw/zinc/91/41/13/794914113.db2.gz UCDPLNHPIINSEY-ZDUSSCGKSA-N 1 0 338.412 -1.001 20 0 EAADRO NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001280252488 794914914 /nfs/dbraw/zinc/91/49/14/794914914.db2.gz UFAFDKRNAAABGZ-JTQLQIEISA-N 1 0 325.369 -1.758 20 0 EAADRO NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001280252489 794915201 /nfs/dbraw/zinc/91/52/01/794915201.db2.gz UFAFDKRNAAABGZ-SNVBAGLBSA-N 1 0 325.369 -1.758 20 0 EAADRO CN(C)C(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001280283557 794915229 /nfs/dbraw/zinc/91/52/29/794915229.db2.gz DSDAJTAGPCMLEW-LLVKDONJSA-N 1 0 339.396 -1.545 20 0 EAADRO CN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001280283558 794915193 /nfs/dbraw/zinc/91/51/93/794915193.db2.gz DSDAJTAGPCMLEW-NSHDSACASA-N 1 0 339.396 -1.545 20 0 EAADRO Cn1[nH]c(C[NH2+]CC[C@@H]2CCN(C(=O)Cn3cncn3)C2)nc1=O ZINC001280286597 794914882 /nfs/dbraw/zinc/91/48/82/794914882.db2.gz ZPBQFNHFMOKOEQ-LLVKDONJSA-N 1 0 334.384 -1.272 20 0 EAADRO Cn1[nH]c(C[NH2+]CC[C@H]2CCN(C(=O)Cn3cncn3)C2)nc1=O ZINC001280286598 794915234 /nfs/dbraw/zinc/91/52/34/794915234.db2.gz ZPBQFNHFMOKOEQ-NSHDSACASA-N 1 0 334.384 -1.272 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ncnn2C)C1 ZINC001280296779 794914818 /nfs/dbraw/zinc/91/48/18/794914818.db2.gz QHRWCMHTJGOMDG-LLVKDONJSA-N 1 0 344.441 -1.308 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@H](CC[NH2+]Cc2ncnn2C)C1 ZINC001280296781 794915070 /nfs/dbraw/zinc/91/50/70/794915070.db2.gz QHRWCMHTJGOMDG-NSHDSACASA-N 1 0 344.441 -1.308 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001280317116 794915020 /nfs/dbraw/zinc/91/50/20/794915020.db2.gz HNNNFRMOQYOKRM-GHMZBOCLSA-N 1 0 341.412 -1.112 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001280317117 794914933 /nfs/dbraw/zinc/91/49/33/794914933.db2.gz HNNNFRMOQYOKRM-MNOVXSKESA-N 1 0 341.412 -1.112 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001280317118 794915212 /nfs/dbraw/zinc/91/52/12/794915212.db2.gz HNNNFRMOQYOKRM-QWRGUYRKSA-N 1 0 341.412 -1.112 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001280317119 794915090 /nfs/dbraw/zinc/91/50/90/794915090.db2.gz HNNNFRMOQYOKRM-WDEREUQCSA-N 1 0 341.412 -1.112 20 0 EAADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001280347139 785642108 /nfs/dbraw/zinc/64/21/08/785642108.db2.gz SENBAQUUKVXSQQ-GHMZBOCLSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001280347140 785641464 /nfs/dbraw/zinc/64/14/64/785641464.db2.gz SENBAQUUKVXSQQ-MNOVXSKESA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001280347141 785642223 /nfs/dbraw/zinc/64/22/23/785642223.db2.gz SENBAQUUKVXSQQ-QWRGUYRKSA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001280347142 785641851 /nfs/dbraw/zinc/64/18/51/785641851.db2.gz SENBAQUUKVXSQQ-WDEREUQCSA-N 1 0 341.412 -1.159 20 0 EAADRO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001280365647 794915161 /nfs/dbraw/zinc/91/51/61/794915161.db2.gz ZTEOCKDQRVYSAT-DCAQKATOSA-N 1 0 339.396 -1.405 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001280371898 794914989 /nfs/dbraw/zinc/91/49/89/794914989.db2.gz LSBYZCLJVRORDD-IJLUTSLNSA-N 1 0 346.453 -1.023 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001280371899 794915224 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336.392 -1.148 20 0 EAADRO CCOCCNC(=O)C[NH+]1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001280385227 794915963 /nfs/dbraw/zinc/91/59/63/794915963.db2.gz MADWHBPLWJCETR-UHFFFAOYSA-N 1 0 340.424 -1.061 20 0 EAADRO NC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001280389965 794916173 /nfs/dbraw/zinc/91/61/73/794916173.db2.gz PFENGXHRGDODRK-UHFFFAOYSA-N 1 0 337.380 -1.629 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1CCN1C(=O)CCC1=O ZINC001280416648 794916707 /nfs/dbraw/zinc/91/67/07/794916707.db2.gz YFWONXRTRYPHAT-CYBMUJFWSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H]1COCCN1CCN1C(=O)CCC1=O ZINC001280416649 794917890 /nfs/dbraw/zinc/91/78/90/794917890.db2.gz YFWONXRTRYPHAT-ZDUSSCGKSA-N 1 0 340.424 -1.096 20 0 EAADRO C[NH+](C)CCCCC(=O)NC[C@@H]1COCCN1CC(=O)NC(N)=O ZINC001280421922 794917881 /nfs/dbraw/zinc/91/78/81/794917881.db2.gz SKEQASYTFGDDSA-GFCCVEGCSA-N 1 0 343.428 -1.270 20 0 EAADRO C[NH+](C)CCCCC(=O)NC[C@H]1COCCN1CC(=O)NC(N)=O ZINC001280421924 794917811 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O=C(c1cn[nH]n1)N1CCCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001280444745 794918656 /nfs/dbraw/zinc/91/86/56/794918656.db2.gz BJQYAPKVVWEYBT-SNVBAGLBSA-N 1 0 335.368 -1.059 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC(F)F ZINC001280444979 785786542 /nfs/dbraw/zinc/78/65/42/785786542.db2.gz JLMXTXTZTCZLSR-MRVPVSSYSA-N 1 0 349.338 -1.467 20 0 EAADRO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001280446819 794918949 /nfs/dbraw/zinc/91/89/49/794918949.db2.gz UALDRFJPHCDOBP-MNOVXSKESA-N 1 0 333.410 -2.137 20 0 EAADRO O=C([C@@H]1CNC(=O)N1)N1CCCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001280451727 794918403 /nfs/dbraw/zinc/91/84/03/794918403.db2.gz AVEGABBMDMNZLC-NEPJUHHUSA-N 1 0 338.412 -1.336 20 0 EAADRO O=C([C@H]1CNC(=O)N1)N1CCCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001280451729 794919133 /nfs/dbraw/zinc/91/91/33/794919133.db2.gz AVEGABBMDMNZLC-VXGBXAGGSA-N 1 0 338.412 -1.336 20 0 EAADRO NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001280451954 794918789 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CCS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2COCCO2)CCC1 ZINC001280468867 785836908 /nfs/dbraw/zinc/83/69/08/785836908.db2.gz HHIQUFIABJNWSY-LBPRGKRZSA-N 1 0 349.453 -1.030 20 0 EAADRO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCC1 ZINC001280471625 794918766 /nfs/dbraw/zinc/91/87/66/794918766.db2.gz XSRGBZOXHGNPOE-GHMZBOCLSA-N 1 0 347.437 -1.027 20 0 EAADRO COC(=O)[C@H]1C[C@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCC1 ZINC001280471627 794918533 /nfs/dbraw/zinc/91/85/33/794918533.db2.gz XSRGBZOXHGNPOE-MNOVXSKESA-N 1 0 347.437 -1.027 20 0 EAADRO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCC1 ZINC001280471628 794918442 /nfs/dbraw/zinc/91/84/42/794918442.db2.gz XSRGBZOXHGNPOE-QWRGUYRKSA-N 1 0 347.437 -1.027 20 0 EAADRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCC1 ZINC001280471630 794918992 /nfs/dbraw/zinc/91/89/92/794918992.db2.gz XSRGBZOXHGNPOE-WDEREUQCSA-N 1 0 347.437 -1.027 20 0 EAADRO CC(=O)N1CC(C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CCC2)C1 ZINC001280474955 794918756 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C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001280481136 794919666 /nfs/dbraw/zinc/91/96/66/794919666.db2.gz HWKQYQJEZXYLIC-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO CNC(=O)NCC(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCC1 ZINC001280483340 786170265 /nfs/dbraw/zinc/17/02/65/786170265.db2.gz UYLMKYNAQUYSJP-UHFFFAOYSA-N 1 0 335.430 -1.907 20 0 EAADRO CN(C)C(=O)C[NH2+]C1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCC1 ZINC001280485237 794920002 /nfs/dbraw/zinc/92/00/02/794920002.db2.gz FJGSRRWCEQRMQA-VIFPVBQESA-N 1 0 325.369 -1.699 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCNC2=O)CCC1 ZINC001280485504 794919564 /nfs/dbraw/zinc/91/95/64/794919564.db2.gz OMCUDQAXOFJDOQ-JTQLQIEISA-N 1 0 339.396 -1.403 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCNC2=O)CCC1 ZINC001280485506 794919923 /nfs/dbraw/zinc/91/99/23/794919923.db2.gz OMCUDQAXOFJDOQ-SNVBAGLBSA-N 1 0 339.396 -1.403 20 0 EAADRO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N(C)C(=O)CC(N)=O ZINC001280489680 794919500 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C[C@@H]1CN(C(=O)C[NH2+]C2(CNC(=O)C(N)=O)CCC2)C[C@@H](C)O1 ZINC001280502580 794919641 /nfs/dbraw/zinc/91/96/41/794919641.db2.gz UTAVCHNWJCQAOW-GHMZBOCLSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C2(CNC(=O)C(N)=O)CCC2)C[C@H](C)O1 ZINC001280502581 794919585 /nfs/dbraw/zinc/91/95/85/794919585.db2.gz UTAVCHNWJCQAOW-PHIMTYICSA-N 1 0 326.397 -1.264 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]C2(CNC(=O)C(N)=O)CCC2)C[C@H](C)O1 ZINC001280502582 794920993 /nfs/dbraw/zinc/92/09/93/794920993.db2.gz UTAVCHNWJCQAOW-QWRGUYRKSA-N 1 0 326.397 -1.264 20 0 EAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CCC1 ZINC001280505472 794920878 /nfs/dbraw/zinc/92/08/78/794920878.db2.gz QKVPLCYKFUNALU-MNOVXSKESA-N 1 0 336.392 -1.115 20 0 EAADRO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001280506283 794920676 /nfs/dbraw/zinc/92/06/76/794920676.db2.gz JYNRKCALEXYEJK-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001280506284 794920471 /nfs/dbraw/zinc/92/04/71/794920471.db2.gz JYNRKCALEXYEJK-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)N(C)C(=O)C(N)=O ZINC001280516282 794920563 /nfs/dbraw/zinc/92/05/63/794920563.db2.gz GGTPYDKYJKASSP-LLVKDONJSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)N(C)C(=O)C(N)=O ZINC001280516283 794920591 /nfs/dbraw/zinc/92/05/91/794920591.db2.gz GGTPYDKYJKASSP-NSHDSACASA-N 1 0 328.413 -1.207 20 0 EAADRO COC[C@H](O)C[NH2+]C1(CNC(=O)C2CC(=O)NC(=O)C2)CCC1 ZINC001280521439 794920709 /nfs/dbraw/zinc/92/07/09/794920709.db2.gz NFVPKYPMNBVHEX-LLVKDONJSA-N 1 0 327.381 -1.325 20 0 EAADRO COC[C@@H](O)C[NH2+]C1(CNC(=O)C2CC(=O)NC(=O)C2)CCC1 ZINC001280521440 794920419 /nfs/dbraw/zinc/92/04/19/794920419.db2.gz NFVPKYPMNBVHEX-NSHDSACASA-N 1 0 327.381 -1.325 20 0 EAADRO CN1C(=O)CN(CC(=O)NCC2([NH2+]CCn3cncn3)CCC2)C1=O ZINC001280524956 794921752 /nfs/dbraw/zinc/92/17/52/794921752.db2.gz GVWJJDMZJVBFRW-UHFFFAOYSA-N 1 0 349.395 -1.199 20 0 EAADRO O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1)[C@@H]1CCC(=O)N1 ZINC001280534010 794922046 /nfs/dbraw/zinc/92/20/46/794922046.db2.gz MHRKDEUOMWAOTG-JTQLQIEISA-N 1 0 337.380 -1.555 20 0 EAADRO O=C(Cn1cncn1)NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001280535798 794921842 /nfs/dbraw/zinc/92/18/42/794921842.db2.gz JUBBJFCVOGAISL-UHFFFAOYSA-N 1 0 335.368 -1.542 20 0 EAADRO Cn1nncc1C[NH2+]C1(CNC(=O)CC[C@H]2NC(=O)NC2=O)CCC1 ZINC001280535883 794921452 /nfs/dbraw/zinc/92/14/52/794921452.db2.gz LEFYPUXLOFQOBZ-LLVKDONJSA-N 1 0 349.395 -1.068 20 0 EAADRO Cn1nncc1C[NH2+]C1(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CCC1 ZINC001280535887 794921521 /nfs/dbraw/zinc/92/15/21/794921521.db2.gz LEFYPUXLOFQOBZ-NSHDSACASA-N 1 0 349.395 -1.068 20 0 EAADRO O=C(CN1C(=O)CCC1=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1 ZINC001280536731 794921679 /nfs/dbraw/zinc/92/16/79/794921679.db2.gz UNJFRWXSUBQMFF-UHFFFAOYSA-N 1 0 336.392 -1.004 20 0 EAADRO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001280538709 794923056 /nfs/dbraw/zinc/92/30/56/794923056.db2.gz VUKXCDQOEHCBDL-JTQLQIEISA-N 1 0 326.397 -1.046 20 0 EAADRO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001280538712 794922656 /nfs/dbraw/zinc/92/26/56/794922656.db2.gz VUKXCDQOEHCBDL-SNVBAGLBSA-N 1 0 326.397 -1.046 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001280543539 794922851 /nfs/dbraw/zinc/92/28/51/794922851.db2.gz BODAKUOEFFPZLA-LLVKDONJSA-N 1 0 341.412 -1.205 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001280543542 794922713 /nfs/dbraw/zinc/92/27/13/794922713.db2.gz BODAKUOEFFPZLA-NSHDSACASA-N 1 0 341.412 -1.205 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@H](C)CNC(=O)CN1C(=O)CNC1=O)[NH+](C)C ZINC001280544226 794922411 /nfs/dbraw/zinc/92/24/11/794922411.db2.gz KBUCQVOWAXJUPT-MNOVXSKESA-N 1 0 341.412 -1.159 20 0 EAADRO CC[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)CN1C(=O)CNC1=O)[NH+](C)C ZINC001280544227 794922480 /nfs/dbraw/zinc/92/24/80/794922480.db2.gz KBUCQVOWAXJUPT-QWRGUYRKSA-N 1 0 341.412 -1.159 20 0 EAADRO CN(C)C(=O)Cn1cc(C(=O)NCC2([NH2+]CCCO)CCC2)nn1 ZINC001280546417 785990519 /nfs/dbraw/zinc/99/05/19/785990519.db2.gz ZYNLWGSSUOGFSB-UHFFFAOYSA-N 1 0 338.412 -1.009 20 0 EAADRO COCC(=O)N1CCO[C@H](C[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001280549480 794922419 /nfs/dbraw/zinc/92/24/19/794922419.db2.gz VBOURWOHCWMWJR-GFCCVEGCSA-N 1 0 335.426 -1.515 20 0 EAADRO COCC(=O)N1CCO[C@@H](C[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001280549484 794922362 /nfs/dbraw/zinc/92/23/62/794922362.db2.gz VBOURWOHCWMWJR-LBPRGKRZSA-N 1 0 335.426 -1.515 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(CCO)(NC(=O)c2ccn[nH]2)C1 ZINC001280550685 794923635 /nfs/dbraw/zinc/92/36/35/794923635.db2.gz ZWHWVLUMZINWLB-UHFFFAOYSA-N 1 0 339.396 -1.319 20 0 EAADRO CC(C)[C@H](C(=O)N1CC(CCO)(NC(=O)CC(N)=O)C1)[NH+](C)C ZINC001280551135 794923422 /nfs/dbraw/zinc/92/34/22/794923422.db2.gz BBWWHJNHJGTEPZ-CYBMUJFWSA-N 1 0 328.413 -1.472 20 0 EAADRO CCNC(=O)CC(=O)N1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001280551858 786018092 /nfs/dbraw/zinc/01/80/92/786018092.db2.gz LRVCODLHGHMVJV-GFCCVEGCSA-N 1 0 340.424 -1.314 20 0 EAADRO CCNC(=O)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001280551859 786018042 /nfs/dbraw/zinc/01/80/42/786018042.db2.gz LRVCODLHGHMVJV-LBPRGKRZSA-N 1 0 340.424 -1.314 20 0 EAADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001280552078 794923725 /nfs/dbraw/zinc/92/37/25/794923725.db2.gz QHHHPNDCKGVZGE-RYUDHWBXSA-N 1 0 340.424 -1.186 20 0 EAADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001280552080 794923738 /nfs/dbraw/zinc/92/37/38/794923738.db2.gz QHHHPNDCKGVZGE-VXGBXAGGSA-N 1 0 340.424 -1.186 20 0 EAADRO CCNC(=O)CC(=O)NC1(CCO)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001280554643 794924864 /nfs/dbraw/zinc/92/48/64/794924864.db2.gz WBOXMWDXBAWFRU-GFCCVEGCSA-N 1 0 342.440 -1.068 20 0 EAADRO CCNC(=O)CC(=O)NC1(CCO)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001280554644 794924276 /nfs/dbraw/zinc/92/42/76/794924276.db2.gz WBOXMWDXBAWFRU-LBPRGKRZSA-N 1 0 342.440 -1.068 20 0 EAADRO NC(=O)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001280555608 794924859 /nfs/dbraw/zinc/92/48/59/794924859.db2.gz KQLUFPHDEIUFAY-GFCCVEGCSA-N 1 0 338.408 -1.717 20 0 EAADRO NC(=O)CC(=O)N1CC(CCO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001280555610 794924810 /nfs/dbraw/zinc/92/48/10/794924810.db2.gz KQLUFPHDEIUFAY-LBPRGKRZSA-N 1 0 338.408 -1.717 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001280555670 794924815 /nfs/dbraw/zinc/92/48/15/794924815.db2.gz LQSLXJOJSLKCFS-GFCCVEGCSA-N 1 0 340.424 -1.504 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001280555673 794924377 /nfs/dbraw/zinc/92/43/77/794924377.db2.gz LQSLXJOJSLKCFS-LBPRGKRZSA-N 1 0 340.424 -1.504 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001280556020 794924650 /nfs/dbraw/zinc/92/46/50/794924650.db2.gz COFMVGOCZBJFSM-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001280556021 794924656 /nfs/dbraw/zinc/92/46/56/794924656.db2.gz COFMVGOCZBJFSM-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001280556191 786023166 /nfs/dbraw/zinc/02/31/66/786023166.db2.gz KUMULIFETTXWTA-AWEZNQCLSA-N 1 0 340.424 -1.048 20 0 EAADRO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001280556198 786023354 /nfs/dbraw/zinc/02/33/54/786023354.db2.gz KUMULIFETTXWTA-CQSZACIVSA-N 1 0 340.424 -1.048 20 0 EAADRO CNC(=O)CC(=O)N1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001280556201 794924749 /nfs/dbraw/zinc/92/47/49/794924749.db2.gz FJGZVWPZVFNFKN-UHFFFAOYSA-N 1 0 340.424 -1.314 20 0 EAADRO CC[NH+](CC)CC(=O)NC1(CCO)CN(C(=O)CC(=O)N(C)C)C1 ZINC001280556400 794924742 /nfs/dbraw/zinc/92/47/42/794924742.db2.gz RXNLIMMATGNFPY-UHFFFAOYSA-N 1 0 342.440 -1.114 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001280556435 794924857 /nfs/dbraw/zinc/92/48/57/794924857.db2.gz MLYIRAQJMNXMJG-BXUZGUMPSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001280556436 794924663 /nfs/dbraw/zinc/92/46/63/794924663.db2.gz MLYIRAQJMNXMJG-FZMZJTMJSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001280556438 794924805 /nfs/dbraw/zinc/92/48/05/794924805.db2.gz MLYIRAQJMNXMJG-RISCZKNCSA-N 1 0 340.424 -1.146 20 0 EAADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001280556441 794924422 /nfs/dbraw/zinc/92/44/22/794924422.db2.gz MLYIRAQJMNXMJG-SMDDNHRTSA-N 1 0 340.424 -1.146 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC2(CCO)CN(C(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001280556449 794924876 /nfs/dbraw/zinc/92/48/76/794924876.db2.gz GJYNOHNFPVHWCT-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(CCO)(NC(=O)C(C)(C)C(N)=O)C1 ZINC001280556798 794925134 /nfs/dbraw/zinc/92/51/34/794925134.db2.gz IYWJCNRSZNNFAT-UHFFFAOYSA-N 1 0 342.440 -1.081 20 0 EAADRO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CCO1 ZINC001280556805 794925814 /nfs/dbraw/zinc/92/58/14/794925814.db2.gz NMGJCLAVYNGEIZ-CYBMUJFWSA-N 1 0 328.413 -1.144 20 0 EAADRO CCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(C)=O)CCO1 ZINC001280556809 794925784 /nfs/dbraw/zinc/92/57/84/794925784.db2.gz NMGJCLAVYNGEIZ-ZDUSSCGKSA-N 1 0 328.413 -1.144 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]CCN3CCNC3=O)C2)cn1 ZINC001280556811 794925802 /nfs/dbraw/zinc/92/58/02/794925802.db2.gz NNTJAVYTYFKXKM-CYBMUJFWSA-N 1 0 336.396 -1.124 20 0 EAADRO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]CCN3CCNC3=O)C2)cn1 ZINC001280556829 794925597 /nfs/dbraw/zinc/92/55/97/794925597.db2.gz NNTJAVYTYFKXKM-ZDUSSCGKSA-N 1 0 336.396 -1.124 20 0 EAADRO CC[NH+](CC)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001280557293 794925794 /nfs/dbraw/zinc/92/57/94/794925794.db2.gz ZSRJXQSYPFLXKZ-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO CC[NH+](CC)CC(=O)NC1(CCO)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001280557295 794925745 /nfs/dbraw/zinc/92/57/45/794925745.db2.gz ZSRJXQSYPFLXKZ-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001280557347 794925330 /nfs/dbraw/zinc/92/53/30/794925330.db2.gz CCYYSFHUIMWLIS-CYBMUJFWSA-N 1 0 339.396 -1.007 20 0 EAADRO CCOCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001280557348 794925544 /nfs/dbraw/zinc/92/55/44/794925544.db2.gz CCYYSFHUIMWLIS-ZDUSSCGKSA-N 1 0 339.396 -1.007 20 0 EAADRO CNC(=O)CC(=O)N1CC(CCO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001280557384 794925709 /nfs/dbraw/zinc/92/57/09/794925709.db2.gz LSJAIASNZYATEV-UHFFFAOYSA-N 1 0 340.424 -1.314 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001280557399 786024196 /nfs/dbraw/zinc/02/41/96/786024196.db2.gz PVEFTHLWBHWEHK-GFCCVEGCSA-N 1 0 337.384 -1.984 20 0 EAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001280557425 786023780 /nfs/dbraw/zinc/02/37/80/786023780.db2.gz PVEFTHLWBHWEHK-LBPRGKRZSA-N 1 0 337.384 -1.984 20 0 EAADRO CC(C)=CC(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001280557725 794925559 /nfs/dbraw/zinc/92/55/59/794925559.db2.gz RDVZFJGEKSQWMC-CYBMUJFWSA-N 1 0 338.408 -1.272 20 0 EAADRO CC(C)=CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001280557726 794925676 /nfs/dbraw/zinc/92/56/76/794925676.db2.gz RDVZFJGEKSQWMC-ZDUSSCGKSA-N 1 0 338.408 -1.272 20 0 EAADRO CC(C)C(=O)N1CCO[C@H](C[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001280558339 794925276 /nfs/dbraw/zinc/92/52/76/794925276.db2.gz GXWJMIUQBHGGTQ-CHWSQXEVSA-N 1 0 341.408 -1.031 20 0 EAADRO CC(C)C(=O)N1CCO[C@@H](C[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001280558341 794925613 /nfs/dbraw/zinc/92/56/13/794925613.db2.gz GXWJMIUQBHGGTQ-OLZOCXBDSA-N 1 0 341.408 -1.031 20 0 EAADRO CC(C)C(=O)N1CCO[C@H](C[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001280558343 794925872 /nfs/dbraw/zinc/92/58/72/794925872.db2.gz GXWJMIUQBHGGTQ-QWHCGFSZSA-N 1 0 341.408 -1.031 20 0 EAADRO CC(C)C(=O)N1CCO[C@@H](C[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001280558344 794925759 /nfs/dbraw/zinc/92/57/59/794925759.db2.gz GXWJMIUQBHGGTQ-STQMWFEESA-N 1 0 341.408 -1.031 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)CCn2cncn2)CCO1 ZINC001280558429 786024252 /nfs/dbraw/zinc/02/42/52/786024252.db2.gz HZCBDLOVMWJHAB-GFCCVEGCSA-N 1 0 345.425 -1.470 20 0 EAADRO CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)CCn2cncn2)CCO1 ZINC001280558430 786023915 /nfs/dbraw/zinc/02/39/15/786023915.db2.gz HZCBDLOVMWJHAB-LBPRGKRZSA-N 1 0 345.425 -1.470 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001280558644 786023949 /nfs/dbraw/zinc/02/39/49/786023949.db2.gz XDARTIGQQHADLY-LLVKDONJSA-N 1 0 326.353 -1.378 20 0 EAADRO O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001280558645 786024045 /nfs/dbraw/zinc/02/40/45/786024045.db2.gz XDARTIGQQHADLY-NSHDSACASA-N 1 0 326.353 -1.378 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(CCO)CN(C(=O)CC(N)=O)C1 ZINC001280559064 794925891 /nfs/dbraw/zinc/92/58/91/794925891.db2.gz BEFQDHMFOOJXFZ-GFCCVEGCSA-N 1 0 340.424 -1.184 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NC1(CCO)CN(C(=O)CC(N)=O)C1 ZINC001280559065 794925731 /nfs/dbraw/zinc/92/57/31/794925731.db2.gz BEFQDHMFOOJXFZ-LBPRGKRZSA-N 1 0 340.424 -1.184 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001280559221 794925295 /nfs/dbraw/zinc/92/52/95/794925295.db2.gz BNWFSCIMMXMALB-GFCCVEGCSA-N 1 0 340.424 -1.456 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(CCO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001280559222 794925843 /nfs/dbraw/zinc/92/58/43/794925843.db2.gz BNWFSCIMMXMALB-LBPRGKRZSA-N 1 0 340.424 -1.456 20 0 EAADRO O=C(c1cnns1)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001280560051 786024770 /nfs/dbraw/zinc/02/47/70/786024770.db2.gz QWJHTXXEAZMJBX-JTQLQIEISA-N 1 0 340.409 -1.006 20 0 EAADRO O=C(c1cnns1)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001280560054 786024843 /nfs/dbraw/zinc/02/48/43/786024843.db2.gz QWJHTXXEAZMJBX-SNVBAGLBSA-N 1 0 340.409 -1.006 20 0 EAADRO CC[C@H](C(=O)NC1(CCO)CN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001280561437 794926649 /nfs/dbraw/zinc/92/66/49/794926649.db2.gz XNHLBYFHYHIOEV-LLVKDONJSA-N 1 0 342.440 -1.082 20 0 EAADRO CC[C@@H](C(=O)NC1(CCO)CN(C(=O)C(C)(C)C(N)=O)C1)[NH+](C)C ZINC001280561438 794926698 /nfs/dbraw/zinc/92/66/98/794926698.db2.gz XNHLBYFHYHIOEV-NSHDSACASA-N 1 0 342.440 -1.082 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001280561661 786024888 /nfs/dbraw/zinc/02/48/88/786024888.db2.gz ZOJJKSMYHLRENL-JTQLQIEISA-N 1 0 331.398 -1.611 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001280561662 786024874 /nfs/dbraw/zinc/02/48/74/786024874.db2.gz ZOJJKSMYHLRENL-SNVBAGLBSA-N 1 0 331.398 -1.611 20 0 EAADRO NC(=O)C(=O)NC1(CCO)CN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001280562033 794926571 /nfs/dbraw/zinc/92/65/71/794926571.db2.gz LLFLKEPWSMVCDZ-UHFFFAOYSA-N 1 0 331.332 -1.487 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC(CCO)(NC(=O)C2(C(N)=O)CC2)C1 ZINC001280562053 794926729 /nfs/dbraw/zinc/92/67/29/794926729.db2.gz MFNNTOKLFQWHFL-UHFFFAOYSA-N 1 0 340.424 -1.327 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC2(CCO)CN(C(=O)C(N)=O)C2)CC1 ZINC001280562137 794926781 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C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)C(N)=O)CC[N@@H+]1C ZINC001281084851 794964786 /nfs/dbraw/zinc/96/47/86/794964786.db2.gz DMVOBMPTYSNEHK-GMTAPVOTSA-N 1 0 328.413 -1.569 20 0 EAADRO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)C(N)=O)CC[N@@H+]1C ZINC001281084852 794964676 /nfs/dbraw/zinc/96/46/76/794964676.db2.gz DMVOBMPTYSNEHK-OUAUKWLOSA-N 1 0 328.413 -1.569 20 0 EAADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](CO)NC(=O)CC(N)=O ZINC001281089460 794870149 /nfs/dbraw/zinc/87/01/49/794870149.db2.gz SAAQTAKQGWIMSO-JTQLQIEISA-N 1 0 342.421 -1.108 20 0 EAADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@H](CO)NC(=O)CC(N)=O ZINC001281089461 794869923 /nfs/dbraw/zinc/86/99/23/794869923.db2.gz SAAQTAKQGWIMSO-SNVBAGLBSA-N 1 0 342.421 -1.108 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)CN1C(=O)CCC1=O ZINC001281090224 794965412 /nfs/dbraw/zinc/96/54/12/794965412.db2.gz GUBGXZIHJWSBOL-LLVKDONJSA-N 1 0 342.396 -1.931 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)CN1C(=O)CCC1=O ZINC001281090226 794965849 /nfs/dbraw/zinc/96/58/49/794965849.db2.gz GUBGXZIHJWSBOL-NSHDSACASA-N 1 0 342.396 -1.931 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001281090252 794965095 /nfs/dbraw/zinc/96/50/95/794965095.db2.gz CLDUTBBAIXCETJ-MNOVXSKESA-N 1 0 330.429 -1.323 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001281090253 794965302 /nfs/dbraw/zinc/96/53/02/794965302.db2.gz CLDUTBBAIXCETJ-QWRGUYRKSA-N 1 0 330.429 -1.323 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCCNC2=O)CCC1 ZINC001281090266 794965477 /nfs/dbraw/zinc/96/54/77/794965477.db2.gz HHNNCZCXTXGHGB-NEPJUHHUSA-N 1 0 340.424 -1.410 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCCNC2=O)CCC1 ZINC001281090267 794965310 /nfs/dbraw/zinc/96/53/10/794965310.db2.gz HHNNCZCXTXGHGB-NWDGAFQWSA-N 1 0 340.424 -1.410 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCCNC2=O)CCC1 ZINC001281090268 794965357 /nfs/dbraw/zinc/96/53/57/794965357.db2.gz HHNNCZCXTXGHGB-RYUDHWBXSA-N 1 0 340.424 -1.410 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCCNC2=O)CCC1 ZINC001281090269 794965588 /nfs/dbraw/zinc/96/55/88/794965588.db2.gz HHNNCZCXTXGHGB-VXGBXAGGSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC001281090565 794885635 /nfs/dbraw/zinc/88/56/35/794885635.db2.gz KYJXQOZGGNDLCG-LLVKDONJSA-N 1 0 340.424 -1.280 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC001281090574 794885449 /nfs/dbraw/zinc/88/54/49/794885449.db2.gz KYJXQOZGGNDLCG-NSHDSACASA-N 1 0 340.424 -1.280 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001281090861 794886195 /nfs/dbraw/zinc/88/61/95/794886195.db2.gz NJKSAPKCUJNUBR-NEPJUHHUSA-N 1 0 340.424 -1.567 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001281090862 794886875 /nfs/dbraw/zinc/88/68/75/794886875.db2.gz NJKSAPKCUJNUBR-NWDGAFQWSA-N 1 0 340.424 -1.567 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001281090863 794886893 /nfs/dbraw/zinc/88/68/93/794886893.db2.gz NJKSAPKCUJNUBR-RYUDHWBXSA-N 1 0 340.424 -1.567 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001281090864 794886163 /nfs/dbraw/zinc/88/61/63/794886163.db2.gz NJKSAPKCUJNUBR-VXGBXAGGSA-N 1 0 340.424 -1.567 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001281090975 794886522 /nfs/dbraw/zinc/88/65/22/794886522.db2.gz OHAIGNQJGUSQLR-GHMZBOCLSA-N 1 0 330.429 -1.323 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001281090977 794886802 /nfs/dbraw/zinc/88/68/02/794886802.db2.gz OHAIGNQJGUSQLR-MNOVXSKESA-N 1 0 330.429 -1.323 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001281090979 794886639 /nfs/dbraw/zinc/88/66/39/794886639.db2.gz OHAIGNQJGUSQLR-QWRGUYRKSA-N 1 0 330.429 -1.323 20 0 EAADRO CC(C)[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)C(N)=O)[NH+](C)C ZINC001281090981 794886297 /nfs/dbraw/zinc/88/62/97/794886297.db2.gz OHAIGNQJGUSQLR-WDEREUQCSA-N 1 0 330.429 -1.323 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001281091400 794966292 /nfs/dbraw/zinc/96/62/92/794966292.db2.gz SKLXJTJFIGYBHX-CHWSQXEVSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001281091401 794966236 /nfs/dbraw/zinc/96/62/36/794966236.db2.gz SKLXJTJFIGYBHX-OLZOCXBDSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)C(=O)N1CC[C@H](C)C1 ZINC001281091402 794966588 /nfs/dbraw/zinc/96/65/88/794966588.db2.gz SKLXJTJFIGYBHX-QWHCGFSZSA-N 1 0 342.440 -1.212 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)C(=O)N1CC[C@H](C)C1 ZINC001281091403 794966542 /nfs/dbraw/zinc/96/65/42/794966542.db2.gz SKLXJTJFIGYBHX-STQMWFEESA-N 1 0 342.440 -1.212 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CC(=O)N(C)C ZINC001281091627 794966174 /nfs/dbraw/zinc/96/61/74/794966174.db2.gz TZUVKUGTOIKJCL-CHWSQXEVSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CC(=O)N(C)C ZINC001281091629 794966846 /nfs/dbraw/zinc/96/68/46/794966846.db2.gz TZUVKUGTOIKJCL-OLZOCXBDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CC(=O)N(C)C ZINC001281091631 794966202 /nfs/dbraw/zinc/96/62/02/794966202.db2.gz TZUVKUGTOIKJCL-QWHCGFSZSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CC(=O)N(C)C ZINC001281091632 794966453 /nfs/dbraw/zinc/96/64/53/794966453.db2.gz TZUVKUGTOIKJCL-STQMWFEESA-N 1 0 342.440 -1.068 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@H](CO)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001281091649 794966829 /nfs/dbraw/zinc/96/68/29/794966829.db2.gz UBWLMGXCKHZZRH-LLVKDONJSA-N 1 0 342.440 -1.177 20 0 EAADRO CC(C)(C(N)=O)C(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001281091653 794966864 /nfs/dbraw/zinc/96/68/64/794966864.db2.gz UBWLMGXCKHZZRH-NSHDSACASA-N 1 0 342.440 -1.177 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281092214 794966876 /nfs/dbraw/zinc/96/68/76/794966876.db2.gz JJPJUTNDCZXQSC-JTQLQIEISA-N 1 0 330.385 -2.577 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281092216 794966683 /nfs/dbraw/zinc/96/66/83/794966683.db2.gz JJPJUTNDCZXQSC-SNVBAGLBSA-N 1 0 330.385 -2.577 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCNC1=O ZINC001281092405 794966308 /nfs/dbraw/zinc/96/63/08/794966308.db2.gz XDFMICZJOOHPSS-NEPJUHHUSA-N 1 0 328.413 -1.554 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCNC1=O ZINC001281092406 794966388 /nfs/dbraw/zinc/96/63/88/794966388.db2.gz XDFMICZJOOHPSS-NWDGAFQWSA-N 1 0 328.413 -1.554 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCNC1=O ZINC001281092407 794966470 /nfs/dbraw/zinc/96/64/70/794966470.db2.gz XDFMICZJOOHPSS-RYUDHWBXSA-N 1 0 328.413 -1.554 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCNC1=O ZINC001281092408 794966796 /nfs/dbraw/zinc/96/67/96/794966796.db2.gz XDFMICZJOOHPSS-VXGBXAGGSA-N 1 0 328.413 -1.554 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001281092986 794967784 /nfs/dbraw/zinc/96/77/84/794967784.db2.gz ZLRHAGDPFSKYEM-GFCCVEGCSA-N 1 0 342.440 -1.164 20 0 EAADRO CNC(=O)C1(C(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001281092988 794967943 /nfs/dbraw/zinc/96/79/43/794967943.db2.gz ZLRHAGDPFSKYEM-LBPRGKRZSA-N 1 0 342.440 -1.164 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281093935 794968844 /nfs/dbraw/zinc/96/88/44/794968844.db2.gz KKXYWGHHMSEHMX-NEPJUHHUSA-N 1 0 340.424 -1.280 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281093937 794968706 /nfs/dbraw/zinc/96/87/06/794968706.db2.gz KKXYWGHHMSEHMX-NWDGAFQWSA-N 1 0 340.424 -1.280 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281093939 794969046 /nfs/dbraw/zinc/96/90/46/794969046.db2.gz KKXYWGHHMSEHMX-RYUDHWBXSA-N 1 0 340.424 -1.280 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281093941 794968357 /nfs/dbraw/zinc/96/83/57/794968357.db2.gz KKXYWGHHMSEHMX-VXGBXAGGSA-N 1 0 340.424 -1.280 20 0 EAADRO C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)C1(C(N)=O)CC1)C1CCC1 ZINC001281094006 794968512 /nfs/dbraw/zinc/96/85/12/794968512.db2.gz ZWQVHJINNOWSLB-JTQLQIEISA-N 1 0 326.397 -1.671 20 0 EAADRO C[N@H+](CC(=O)NC[C@H](CO)NC(=O)C1(C(N)=O)CC1)C1CCC1 ZINC001281094007 794968934 /nfs/dbraw/zinc/96/89/34/794968934.db2.gz ZWQVHJINNOWSLB-SNVBAGLBSA-N 1 0 326.397 -1.671 20 0 EAADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281095186 794968999 /nfs/dbraw/zinc/96/89/99/794968999.db2.gz SKLUCKMDWVIEQU-GHMZBOCLSA-N 1 0 326.397 -1.671 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281095187 794968727 /nfs/dbraw/zinc/96/87/27/794968727.db2.gz SKLUCKMDWVIEQU-MNOVXSKESA-N 1 0 326.397 -1.671 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281095188 794968660 /nfs/dbraw/zinc/96/86/60/794968660.db2.gz SKLUCKMDWVIEQU-QWRGUYRKSA-N 1 0 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O=C(CN1C(=O)CNC1=O)N1CCC[C@](CO)([NH2+]CCCF)C1 ZINC001281185758 793838898 /nfs/dbraw/zinc/83/88/98/793838898.db2.gz XJOFJSKWPYHHOR-AWEZNQCLSA-N 1 0 330.360 -1.159 20 0 EAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@](CO)([NH2+]CCCF)C1 ZINC001281185759 793839777 /nfs/dbraw/zinc/83/97/77/793839777.db2.gz XJOFJSKWPYHHOR-CQSZACIVSA-N 1 0 330.360 -1.159 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001281190809 794986412 /nfs/dbraw/zinc/98/64/12/794986412.db2.gz CNCBHZHZKJVFBW-SWLSCSKDSA-N 1 0 328.413 -1.145 20 0 EAADRO NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001281190815 794986438 /nfs/dbraw/zinc/98/64/38/794986438.db2.gz CNCBHZHZKJVFBW-WFASDCNBSA-N 1 0 328.413 -1.145 20 0 EAADRO COCCC(=O)NC1(C[NH2+]CCN2C(=O)CNC2=O)CCOCC1 ZINC001281191438 794986318 /nfs/dbraw/zinc/98/63/18/794986318.db2.gz HBFYZSAMERSESH-UHFFFAOYSA-N 1 0 342.396 -1.170 20 0 EAADRO CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001281192610 794987950 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-1.325 20 0 EAADRO C[C@H](O)C[NH2+]CC1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCOCC1 ZINC001281284780 795008187 /nfs/dbraw/zinc/00/81/87/795008187.db2.gz JCNXITQQTABJAI-QWRGUYRKSA-N 1 0 327.381 -1.325 20 0 EAADRO C[C@H](O)C[NH2+]CC1(NC(=O)C[C@H]2CC(=O)NC2=O)CCOCC1 ZINC001281284781 795008534 /nfs/dbraw/zinc/00/85/34/795008534.db2.gz JCNXITQQTABJAI-WDEREUQCSA-N 1 0 327.381 -1.325 20 0 EAADRO COCCN(CCNC(=O)C(N)=O)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001281323545 795009507 /nfs/dbraw/zinc/00/95/07/795009507.db2.gz CHIHLTNBYBKMKF-HNNXBMFYSA-N 1 0 326.397 -1.451 20 0 EAADRO CNC(=O)CC(=O)N(CCNC(=O)C12CC[NH+](CC1)C2)CCOC ZINC001281324833 795009470 /nfs/dbraw/zinc/00/94/70/795009470.db2.gz QCHPDOGTCCUTSK-UHFFFAOYSA-N 1 0 340.424 -1.191 20 0 EAADRO COCCN(CCNC(=O)C(N)=O)C(=O)CC[NH+]1CCCCC1 ZINC001281326608 795009207 /nfs/dbraw/zinc/00/92/07/795009207.db2.gz CCAFILLXMPOSGY-UHFFFAOYSA-N 1 0 328.413 -1.061 20 0 EAADRO COCCN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)C(N)=O ZINC001281326691 795008876 /nfs/dbraw/zinc/00/88/76/795008876.db2.gz IYZWWUNBAXCGJB-UHFFFAOYSA-N 1 0 328.413 -1.061 20 0 EAADRO COCCN(CCNC(=O)C(N)=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001281327026 795009389 /nfs/dbraw/zinc/00/93/89/795009389.db2.gz LHGHZVUUUQNKFL-RYUDHWBXSA-N 1 0 328.413 -1.207 20 0 EAADRO COCCN(CCNC(=O)C(N)=O)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001281327347 795010617 /nfs/dbraw/zinc/01/06/17/795010617.db2.gz SRLFUYCEOFWGJU-RYUDHWBXSA-N 1 0 328.413 -1.064 20 0 EAADRO COCCN(CCNC(=O)C(N)=O)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001281327348 795010389 /nfs/dbraw/zinc/01/03/89/795010389.db2.gz SRLFUYCEOFWGJU-TXEJJXNPSA-N 1 0 328.413 -1.064 20 0 EAADRO COCCN(CCNC(=O)C(N)=O)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001281327349 795010251 /nfs/dbraw/zinc/01/02/51/795010251.db2.gz SRLFUYCEOFWGJU-VXGBXAGGSA-N 1 0 328.413 -1.064 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N(C)C1CC(NC(=O)COCC[NH+](C)C)C1 ZINC001281345055 795010364 /nfs/dbraw/zinc/01/03/64/795010364.db2.gz OFJWVQTUTHNZFS-UNXYVOJBSA-N 1 0 343.428 -1.273 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281373756 795011494 /nfs/dbraw/zinc/01/14/94/795011494.db2.gz JKGBMDQGPKKRED-AAEUAGOBSA-N 1 0 342.421 -1.081 20 0 EAADRO C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001281373757 795011174 /nfs/dbraw/zinc/01/11/74/795011174.db2.gz JKGBMDQGPKKRED-WCQYABFASA-N 1 0 342.421 -1.081 20 0 EAADRO C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281373758 795011010 /nfs/dbraw/zinc/01/10/10/795011010.db2.gz JKGBMDQGPKKRED-YPMHNXCESA-N 1 0 342.421 -1.081 20 0 EAADRO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281376730 795011463 /nfs/dbraw/zinc/01/14/63/795011463.db2.gz GQJZXBIISDLJKH-NEPJUHHUSA-N 1 0 344.441 -1.346 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001281376732 795010851 /nfs/dbraw/zinc/01/08/51/795010851.db2.gz GQJZXBIISDLJKH-NWDGAFQWSA-N 1 0 344.441 -1.346 20 0 EAADRO C[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281376734 795011513 /nfs/dbraw/zinc/01/15/13/795011513.db2.gz GQJZXBIISDLJKH-RYUDHWBXSA-N 1 0 344.441 -1.346 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001281377797 795011358 /nfs/dbraw/zinc/01/13/58/795011358.db2.gz MBENEDYTKSVUJC-NEPJUHHUSA-N 1 0 344.412 -1.068 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1C ZINC001281377798 795011382 /nfs/dbraw/zinc/01/13/82/795011382.db2.gz MBENEDYTKSVUJC-NWDGAFQWSA-N 1 0 344.412 -1.068 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1C ZINC001281377799 795010808 /nfs/dbraw/zinc/01/08/08/795010808.db2.gz MBENEDYTKSVUJC-RYUDHWBXSA-N 1 0 344.412 -1.068 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CC=C(CNC(=O)Cn3ncnn3)CC2)C1 ZINC001281377920 795011665 /nfs/dbraw/zinc/01/16/65/795011665.db2.gz MXIHZPRSGMRJQI-CYBMUJFWSA-N 1 0 333.396 -1.100 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)Cn3ncnn3)CC2)C1 ZINC001281377921 795012581 /nfs/dbraw/zinc/01/25/81/795012581.db2.gz MXIHZPRSGMRJQI-ZDUSSCGKSA-N 1 0 333.396 -1.100 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 ZINC001281380096 795011998 /nfs/dbraw/zinc/01/19/98/795011998.db2.gz UKHMRQJPPBFZIO-GFCCVEGCSA-N 1 0 338.408 -1.285 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 ZINC001281380097 795012447 /nfs/dbraw/zinc/01/24/47/795012447.db2.gz UKHMRQJPPBFZIO-LBPRGKRZSA-N 1 0 338.408 -1.285 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)n(C)n1 ZINC001281389927 795012241 /nfs/dbraw/zinc/01/22/41/795012241.db2.gz YOVYNUSANGYXJD-GXSJLCMTSA-N 1 0 336.396 -1.021 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)n(C)n1 ZINC001281389928 795012525 /nfs/dbraw/zinc/01/25/25/795012525.db2.gz YOVYNUSANGYXJD-KOLCDFICSA-N 1 0 336.396 -1.021 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)n(C)n1 ZINC001281389929 795012614 /nfs/dbraw/zinc/01/26/14/795012614.db2.gz YOVYNUSANGYXJD-ONGXEEELSA-N 1 0 336.396 -1.021 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001281390782 795012205 /nfs/dbraw/zinc/01/22/05/795012205.db2.gz OEUMLWPRQQHCND-NEPJUHHUSA-N 1 0 348.469 -1.112 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001281390784 795012370 /nfs/dbraw/zinc/01/23/70/795012370.db2.gz OEUMLWPRQQHCND-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC001281390786 795012520 /nfs/dbraw/zinc/01/25/20/795012520.db2.gz OEUMLWPRQQHCND-RYUDHWBXSA-N 1 0 348.469 -1.112 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001281391080 795012226 /nfs/dbraw/zinc/01/22/26/795012226.db2.gz QFROTQJAANSTSR-GXSJLCMTSA-N 1 0 344.441 -1.398 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281391082 795012436 /nfs/dbraw/zinc/01/24/36/795012436.db2.gz QFROTQJAANSTSR-KOLCDFICSA-N 1 0 344.441 -1.398 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281391084 795011965 /nfs/dbraw/zinc/01/19/65/795011965.db2.gz QFROTQJAANSTSR-ONGXEEELSA-N 1 0 344.441 -1.398 20 0 EAADRO C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1[NH2+]CCOCCO ZINC001281407763 795013258 /nfs/dbraw/zinc/01/32/58/795013258.db2.gz HAVPQOZNDKFJRO-AAEUAGOBSA-N 1 0 334.438 -1.134 20 0 EAADRO C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1[NH2+]CCOCCO ZINC001281407764 794524920 /nfs/dbraw/zinc/52/49/20/794524920.db2.gz HAVPQOZNDKFJRO-WCQYABFASA-N 1 0 334.438 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1[NH2+]CCOCCO ZINC001281407765 794526567 /nfs/dbraw/zinc/52/65/67/794526567.db2.gz HAVPQOZNDKFJRO-YPMHNXCESA-N 1 0 334.438 -1.134 20 0 EAADRO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001281410533 795013091 /nfs/dbraw/zinc/01/30/91/795013091.db2.gz YDJRPRGKJRYQAA-MNOVXSKESA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001281410535 795012983 /nfs/dbraw/zinc/01/29/83/795012983.db2.gz YDJRPRGKJRYQAA-QWRGUYRKSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001281410537 795013381 /nfs/dbraw/zinc/01/33/81/795013381.db2.gz YDJRPRGKJRYQAA-WDEREUQCSA-N 1 0 348.469 -1.174 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001281429496 795014085 /nfs/dbraw/zinc/01/40/85/795014085.db2.gz LMUUICCZRMRXJX-GXSJLCMTSA-N 1 0 343.409 -1.631 20 0 EAADRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281429497 795014148 /nfs/dbraw/zinc/01/41/48/795014148.db2.gz LMUUICCZRMRXJX-KOLCDFICSA-N 1 0 343.409 -1.631 20 0 EAADRO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281429499 795014424 /nfs/dbraw/zinc/01/44/24/795014424.db2.gz LMUUICCZRMRXJX-ONGXEEELSA-N 1 0 343.409 -1.631 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC001281450139 795015569 /nfs/dbraw/zinc/01/55/69/795015569.db2.gz HTILECKFNZFGHG-CMPLNLGQSA-N 1 0 338.408 -1.046 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC001281450140 795015789 /nfs/dbraw/zinc/01/57/89/795015789.db2.gz HTILECKFNZFGHG-JQWIXIFHSA-N 1 0 338.408 -1.046 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001281450141 795015763 /nfs/dbraw/zinc/01/57/63/795015763.db2.gz HTILECKFNZFGHG-PWSUYJOCSA-N 1 0 338.408 -1.046 20 0 EAADRO CCOCC[NH2+][C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001281450199 795015000 /nfs/dbraw/zinc/01/50/00/795015000.db2.gz JAWFMKFPUXZGAT-MNOVXSKESA-N 1 0 340.380 -1.120 20 0 EAADRO CCOCC[NH2+][C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C ZINC001281450200 795015612 /nfs/dbraw/zinc/01/56/12/795015612.db2.gz JAWFMKFPUXZGAT-QWRGUYRKSA-N 1 0 340.380 -1.120 20 0 EAADRO CCOCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C ZINC001281450201 795015363 /nfs/dbraw/zinc/01/53/63/795015363.db2.gz JAWFMKFPUXZGAT-WDEREUQCSA-N 1 0 340.380 -1.120 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001281450552 795015054 /nfs/dbraw/zinc/01/50/54/795015054.db2.gz LLZXNESRYNCYPP-CMPLNLGQSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001281450553 795015781 /nfs/dbraw/zinc/01/57/81/795015781.db2.gz LLZXNESRYNCYPP-JQWIXIFHSA-N 1 0 349.395 -1.193 20 0 EAADRO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001281450554 795015484 /nfs/dbraw/zinc/01/54/84/795015484.db2.gz LLZXNESRYNCYPP-PWSUYJOCSA-N 1 0 349.395 -1.193 20 0 EAADRO COCC[NH2+][C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C ZINC001281451445 795015078 /nfs/dbraw/zinc/01/50/78/795015078.db2.gz VQTDIOHZKLUBCO-UWVGGRQHSA-N 1 0 326.353 -1.510 20 0 EAADRO COCC[NH2+][C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C ZINC001281451447 795015108 /nfs/dbraw/zinc/01/51/08/795015108.db2.gz VQTDIOHZKLUBCO-VHSXEESVSA-N 1 0 326.353 -1.510 20 0 EAADRO COCC[NH2+][C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C ZINC001281451448 795015028 /nfs/dbraw/zinc/01/50/28/795015028.db2.gz VQTDIOHZKLUBCO-ZJUUUORDSA-N 1 0 326.353 -1.510 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001281457396 795015865 /nfs/dbraw/zinc/01/58/65/795015865.db2.gz NXKJWPRGSNWEBG-CMPLNLGQSA-N 1 0 346.453 -1.502 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281457397 795015714 /nfs/dbraw/zinc/01/57/14/795015714.db2.gz NXKJWPRGSNWEBG-JQWIXIFHSA-N 1 0 346.453 -1.502 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001281457398 795015315 /nfs/dbraw/zinc/01/53/15/795015315.db2.gz NXKJWPRGSNWEBG-PWSUYJOCSA-N 1 0 346.453 -1.502 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001281458547 795015511 /nfs/dbraw/zinc/01/55/11/795015511.db2.gz ULPOJTNBBNUGAT-NXEZZACHSA-N 1 0 330.414 -1.206 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001281458548 795015836 /nfs/dbraw/zinc/01/58/36/795015836.db2.gz ULPOJTNBBNUGAT-UWVGGRQHSA-N 1 0 330.414 -1.206 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001281458549 795015496 /nfs/dbraw/zinc/01/54/96/795015496.db2.gz ULPOJTNBBNUGAT-VHSXEESVSA-N 1 0 330.414 -1.206 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001281458550 795015236 /nfs/dbraw/zinc/01/52/36/795015236.db2.gz ULPOJTNBBNUGAT-ZJUUUORDSA-N 1 0 330.414 -1.206 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001281458569 795015662 /nfs/dbraw/zinc/01/56/62/795015662.db2.gz UVRDKCVKBHRQDV-AAEUAGOBSA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001281458570 795015651 /nfs/dbraw/zinc/01/56/51/795015651.db2.gz UVRDKCVKBHRQDV-WCQYABFASA-N 1 0 337.424 -1.026 20 0 EAADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001281458571 795015730 /nfs/dbraw/zinc/01/57/30/795015730.db2.gz UVRDKCVKBHRQDV-YPMHNXCESA-N 1 0 337.424 -1.026 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001281461050 795016207 /nfs/dbraw/zinc/01/62/07/795016207.db2.gz DWAHNTHDGWBGBC-GXTWGEPZSA-N 1 0 338.412 -1.133 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001281461051 795017142 /nfs/dbraw/zinc/01/71/42/795017142.db2.gz DWAHNTHDGWBGBC-JSGCOSHPSA-N 1 0 338.412 -1.133 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001281461052 795016275 /nfs/dbraw/zinc/01/62/75/795016275.db2.gz DWAHNTHDGWBGBC-OCCSQVGLSA-N 1 0 338.412 -1.133 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001281462010 795016432 /nfs/dbraw/zinc/01/64/32/795016432.db2.gz MCJABPFDPIAKON-OLZOCXBDSA-N 1 0 338.412 -1.133 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001281462011 795016642 /nfs/dbraw/zinc/01/66/42/795016642.db2.gz MCJABPFDPIAKON-QWHCGFSZSA-N 1 0 338.412 -1.133 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001281462012 795016708 /nfs/dbraw/zinc/01/67/08/795016708.db2.gz MCJABPFDPIAKON-STQMWFEESA-N 1 0 338.412 -1.133 20 0 EAADRO COCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001281464111 795017030 /nfs/dbraw/zinc/01/70/30/795017030.db2.gz GFMGUQSGDFYDTR-CYBMUJFWSA-N 1 0 331.413 -1.055 20 0 EAADRO COCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001281464113 795016466 /nfs/dbraw/zinc/01/64/66/795016466.db2.gz GFMGUQSGDFYDTR-ZDUSSCGKSA-N 1 0 331.413 -1.055 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001281464287 795016372 /nfs/dbraw/zinc/01/63/72/795016372.db2.gz WTOCQNPYOLPDPP-UWVGGRQHSA-N 1 0 325.369 -1.937 20 0 EAADRO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001281464295 795016869 /nfs/dbraw/zinc/01/68/69/795016869.db2.gz WTOCQNPYOLPDPP-VHSXEESVSA-N 1 0 325.369 -1.937 20 0 EAADRO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001281464297 795016940 /nfs/dbraw/zinc/01/69/40/795016940.db2.gz WTOCQNPYOLPDPP-ZJUUUORDSA-N 1 0 325.369 -1.937 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1[NH2+]CCOCCO ZINC001281464911 795016513 /nfs/dbraw/zinc/01/65/13/795016513.db2.gz XQCYRFKUBREXNT-CMPLNLGQSA-N 1 0 340.380 -1.455 20 0 EAADRO C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1[NH2+]CCOCCO ZINC001281464912 795016146 /nfs/dbraw/zinc/01/61/46/795016146.db2.gz XQCYRFKUBREXNT-JQWIXIFHSA-N 1 0 340.380 -1.455 20 0 EAADRO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1[NH2+]CCOCCO ZINC001281464913 795016134 /nfs/dbraw/zinc/01/61/34/795016134.db2.gz XQCYRFKUBREXNT-PWSUYJOCSA-N 1 0 340.380 -1.455 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001281466521 795017192 /nfs/dbraw/zinc/01/71/92/795017192.db2.gz ANWOXMRHCIWCCG-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001281466523 795016391 /nfs/dbraw/zinc/01/63/91/795016391.db2.gz ANWOXMRHCIWCCG-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001281466975 795016959 /nfs/dbraw/zinc/01/69/59/795016959.db2.gz CGRLYWOKYAHJLD-NEPJUHHUSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001281466977 795017069 /nfs/dbraw/zinc/01/70/69/795017069.db2.gz CGRLYWOKYAHJLD-NWDGAFQWSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001281466979 795016596 /nfs/dbraw/zinc/01/65/96/795016596.db2.gz CGRLYWOKYAHJLD-RYUDHWBXSA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001281466980 795016283 /nfs/dbraw/zinc/01/62/83/795016283.db2.gz CGRLYWOKYAHJLD-VXGBXAGGSA-N 1 0 326.397 -1.453 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1 ZINC001281467516 795016809 /nfs/dbraw/zinc/01/68/09/795016809.db2.gz JFIPUEGEEFQGAO-CHWSQXEVSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1 ZINC001281467518 795016222 /nfs/dbraw/zinc/01/62/22/795016222.db2.gz JFIPUEGEEFQGAO-OLZOCXBDSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1 ZINC001281467520 795017126 /nfs/dbraw/zinc/01/71/26/795017126.db2.gz JFIPUEGEEFQGAO-QWHCGFSZSA-N 1 0 340.424 -1.063 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1 ZINC001281467521 795016475 /nfs/dbraw/zinc/01/64/75/795016475.db2.gz JFIPUEGEEFQGAO-STQMWFEESA-N 1 0 340.424 -1.063 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCCO1)[NH+](C)C ZINC001281467576 795016153 /nfs/dbraw/zinc/01/61/53/795016153.db2.gz KBBSIPWUCPVBIF-NEPJUHHUSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@H](C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCCO1)[NH+](C)C ZINC001281467578 795017053 /nfs/dbraw/zinc/01/70/53/795017053.db2.gz KBBSIPWUCPVBIF-NWDGAFQWSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@@H](C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCCO1)[NH+](C)C ZINC001281467579 795016523 /nfs/dbraw/zinc/01/65/23/795016523.db2.gz KBBSIPWUCPVBIF-RYUDHWBXSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCCO1)[NH+](C)C ZINC001281467581 795017042 /nfs/dbraw/zinc/01/70/42/795017042.db2.gz KBBSIPWUCPVBIF-VXGBXAGGSA-N 1 0 328.413 -1.064 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CCCO[C@@H](CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001281468311 795017993 /nfs/dbraw/zinc/01/79/93/795017993.db2.gz JAMOFTVRSSJWRC-AVGNSLFASA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2CCCO[C@H](CNC(=O)C(N)=O)C2)CC[N@@H+]1C ZINC001281468312 795017423 /nfs/dbraw/zinc/01/74/23/795017423.db2.gz JAMOFTVRSSJWRC-RWMBFGLXSA-N 1 0 340.424 -1.064 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)CCC1 ZINC001281469001 795017886 /nfs/dbraw/zinc/01/78/86/795017886.db2.gz UHOQYUNSOVUGSD-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCCO2)CCC1 ZINC001281469002 795017780 /nfs/dbraw/zinc/01/77/80/795017780.db2.gz UHOQYUNSOVUGSD-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)CC1 ZINC001281469675 795017675 /nfs/dbraw/zinc/01/76/75/795017675.db2.gz PGDMXDOGSNKSJA-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)CC1 ZINC001281469678 795018087 /nfs/dbraw/zinc/01/80/87/795018087.db2.gz PGDMXDOGSNKSJA-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO CC(=O)NCCOCC[NH2+]C1(C)CCN(C(=O)CC(N)=O)CC1 ZINC001281484634 794584382 /nfs/dbraw/zinc/58/43/82/794584382.db2.gz GVVGCBNGSQIGEW-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO CC1([NH2+]CC(=O)NC(=O)NC2CC2)CCN(C(=O)CC(N)=O)CC1 ZINC001281485000 795018465 /nfs/dbraw/zinc/01/84/65/795018465.db2.gz KNKYFISKHQQCAY-UHFFFAOYSA-N 1 0 339.396 -1.179 20 0 EAADRO COCCOCC(=O)N1CCC(C)([NH2+]CC(=O)NC(N)=O)CC1 ZINC001281485359 795018554 /nfs/dbraw/zinc/01/85/54/795018554.db2.gz QFXCOJYZUUXAAD-UHFFFAOYSA-N 1 0 330.385 -1.185 20 0 EAADRO CCOCCNC(=O)C[NH2+]C1(C)CCN(C(=O)CC(N)=O)CC1 ZINC001281485645 795018634 /nfs/dbraw/zinc/01/86/34/795018634.db2.gz SMXXMJIDQKNNDS-UHFFFAOYSA-N 1 0 328.413 -1.015 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1CCC(C)([NH2+]CCNS(C)(=O)=O)CC1 ZINC001281488285 795018803 /nfs/dbraw/zinc/01/88/03/795018803.db2.gz HMHWPVSLULMKTF-JTQLQIEISA-N 1 0 349.457 -1.437 20 0 EAADRO COCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001281507856 795018942 /nfs/dbraw/zinc/01/89/42/795018942.db2.gz MGZTZNXKHCFAFU-NSHDSACASA-N 1 0 347.437 -1.483 20 0 EAADRO CC1([NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCN(C(=O)C(N)=O)CC1 ZINC001281508921 795018526 /nfs/dbraw/zinc/01/85/26/795018526.db2.gz ONRHBKQWQXDERS-JTQLQIEISA-N 1 0 340.380 -2.048 20 0 EAADRO CC1([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCN(C(=O)C(N)=O)CC1 ZINC001281508923 795018743 /nfs/dbraw/zinc/01/87/43/795018743.db2.gz ONRHBKQWQXDERS-SNVBAGLBSA-N 1 0 340.380 -2.048 20 0 EAADRO CC1([NH2+]CC(=O)N2CCNC(=O)C2)CCN(C(=O)C(N)=O)CC1 ZINC001281509283 795019776 /nfs/dbraw/zinc/01/97/76/795019776.db2.gz WOUKRXNFLPZSDI-UHFFFAOYSA-N 1 0 325.369 -2.599 20 0 EAADRO CC1([NH2+]CC(=O)NC(N)=O)CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001281517720 795019829 /nfs/dbraw/zinc/01/98/29/795019829.db2.gz FENWMQCEYUSEKJ-UHFFFAOYSA-N 1 0 339.396 -1.322 20 0 EAADRO Cn1ncc(C(=O)N2CCC(C)([NH2+]CCNS(C)(=O)=O)CC2)n1 ZINC001281518844 795019806 /nfs/dbraw/zinc/01/98/06/795019806.db2.gz BGAABUVCQRTOME-UHFFFAOYSA-N 1 0 344.441 -1.051 20 0 EAADRO COCC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCN(C(=O)C(N)=O)CC1 ZINC001281529006 795020401 /nfs/dbraw/zinc/02/04/01/795020401.db2.gz PSVPXDRUWKJJPA-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO COCC1(CNC(=O)CC[NH+](C)C)CCN(C(=O)C(N)=O)CC1 ZINC001281529337 795019688 /nfs/dbraw/zinc/01/96/88/795019688.db2.gz ZPZCWUGYAWJBFR-UHFFFAOYSA-N 1 0 328.413 -1.205 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCC1(CNC(=O)C(N)=O)CC1 ZINC001281538482 795020334 /nfs/dbraw/zinc/02/03/34/795020334.db2.gz SUOQXCJOSMRJRG-GFCCVEGCSA-N 1 0 340.424 -1.157 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC1(CNC(=O)C(N)=O)CC1 ZINC001281538483 795019436 /nfs/dbraw/zinc/01/94/36/795019436.db2.gz SUOQXCJOSMRJRG-LBPRGKRZSA-N 1 0 340.424 -1.157 20 0 EAADRO CN(CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1)S(C)(=O)=O ZINC001281552416 795020356 /nfs/dbraw/zinc/02/03/56/795020356.db2.gz JUIIUICHFHGWAC-JTQLQIEISA-N 1 0 334.442 -1.420 20 0 EAADRO CN(CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1)S(C)(=O)=O ZINC001281552417 795020306 /nfs/dbraw/zinc/02/03/06/795020306.db2.gz JUIIUICHFHGWAC-SNVBAGLBSA-N 1 0 334.442 -1.420 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001281553210 795019995 /nfs/dbraw/zinc/01/99/95/795019995.db2.gz PBPYOHGYYDVLMN-NEPJUHHUSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001281553211 795019838 /nfs/dbraw/zinc/01/98/38/795019838.db2.gz PBPYOHGYYDVLMN-NWDGAFQWSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001281553212 795020460 /nfs/dbraw/zinc/02/04/60/795020460.db2.gz PBPYOHGYYDVLMN-RYUDHWBXSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001281553213 795020144 /nfs/dbraw/zinc/02/01/44/795020144.db2.gz PBPYOHGYYDVLMN-VXGBXAGGSA-N 1 0 331.413 -1.288 20 0 EAADRO COCCCC[NH+]1CC(N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001281566010 795021426 /nfs/dbraw/zinc/02/14/26/795021426.db2.gz CDLFQNLNHVHJGL-UHFFFAOYSA-N 1 0 337.428 -1.072 20 0 EAADRO COCCC[NH+]1CC(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 ZINC001281577644 795020805 /nfs/dbraw/zinc/02/08/05/795020805.db2.gz MCVRTYOQLSORKV-LBPRGKRZSA-N 1 0 327.429 -1.092 20 0 EAADRO O=C(Cn1cnnn1)N1CCC(O)(C[NH2+]CCOCC(F)F)CC1 ZINC001281585745 795020833 /nfs/dbraw/zinc/02/08/33/795020833.db2.gz AXNZAVOKGWSXEC-UHFFFAOYSA-N 1 0 348.354 -1.102 20 0 EAADRO O=C(C(F)F)N1CCC(O)(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001281586129 795021146 /nfs/dbraw/zinc/02/11/46/795021146.db2.gz IDMFZOPHJWBCCA-UHFFFAOYSA-N 1 0 334.323 -1.254 20 0 EAADRO O=C(c1cc[n+]([O-])cc1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001281586567 795021270 /nfs/dbraw/zinc/02/12/70/795021270.db2.gz NAPLJUYBWVQRAF-UHFFFAOYSA-N 1 0 339.392 -1.114 20 0 EAADRO COCCC[NH+]1CC(N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001281586679 795021559 /nfs/dbraw/zinc/02/15/59/795021559.db2.gz LTKBKJTXOBGGQY-UHFFFAOYSA-N 1 0 337.428 -1.072 20 0 EAADRO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC001281586877 794599393 /nfs/dbraw/zinc/59/93/93/794599393.db2.gz NNYLHYYIOUINTN-UHFFFAOYSA-N 1 0 349.453 -1.500 20 0 EAADRO COCC(=O)N1CCC(O)(C[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001281587587 795022615 /nfs/dbraw/zinc/02/26/15/795022615.db2.gz VKOOQKJVVODRIL-UHFFFAOYSA-N 1 0 342.396 -1.482 20 0 EAADRO O=C(C[NH+]1CCCC1)N1CCN(C2CN(CCOCCO)C2)CC1 ZINC001281588003 795022249 /nfs/dbraw/zinc/02/22/49/795022249.db2.gz VFNDQLNQXBTBQG-UHFFFAOYSA-N 1 0 340.468 -1.081 20 0 EAADRO CC(=O)N(C)CC(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001281600702 795022172 /nfs/dbraw/zinc/02/21/72/795022172.db2.gz XQCFUEIHRMTUCJ-UHFFFAOYSA-N 1 0 338.412 -1.301 20 0 EAADRO CO[C@H](C)C(=O)N1CCC(O)(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001281600739 795022499 /nfs/dbraw/zinc/02/24/99/795022499.db2.gz YUBNEQTYBUZONU-LLVKDONJSA-N 1 0 342.396 -1.484 20 0 EAADRO CO[C@@H](C)C(=O)N1CCC(O)(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001281600740 795022522 /nfs/dbraw/zinc/02/25/22/795022522.db2.gz YUBNEQTYBUZONU-NSHDSACASA-N 1 0 342.396 -1.484 20 0 EAADRO NC(=O)CC(=O)N1CCC(O)(C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001281603072 795021952 /nfs/dbraw/zinc/02/19/52/795021952.db2.gz DFXYQAPMQZILEK-UHFFFAOYSA-N 1 0 340.380 -2.046 20 0 EAADRO CCOCCC(=O)N1CCC(O)(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001281603190 795022742 /nfs/dbraw/zinc/02/27/42/795022742.db2.gz GDWWCFTXASLHKD-LLVKDONJSA-N 1 0 344.412 -1.061 20 0 EAADRO CCOCCC(=O)N1CCC(O)(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001281603191 795022441 /nfs/dbraw/zinc/02/24/41/795022441.db2.gz GDWWCFTXASLHKD-NSHDSACASA-N 1 0 344.412 -1.061 20 0 EAADRO CCC(=O)NCC(=O)N1CCC(O)(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001281603223 794601113 /nfs/dbraw/zinc/60/11/13/794601113.db2.gz HDCRAJYBUKSUHC-UHFFFAOYSA-N 1 0 349.453 -1.500 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001281603293 795022601 /nfs/dbraw/zinc/02/26/01/795022601.db2.gz JFPFALYOPMEWPE-LLVKDONJSA-N 1 0 328.413 -1.280 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001281603294 795022344 /nfs/dbraw/zinc/02/23/44/795022344.db2.gz JFPFALYOPMEWPE-NSHDSACASA-N 1 0 328.413 -1.280 20 0 EAADRO COCCCCC(=O)N1CCC(O)(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001281603358 794602073 /nfs/dbraw/zinc/60/20/73/794602073.db2.gz KZVFRNQTLQFYLF-UHFFFAOYSA-N 1 0 344.412 -1.059 20 0 EAADRO O=C(Cc1cc[nH]n1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001281603393 795022504 /nfs/dbraw/zinc/02/25/04/795022504.db2.gz LZYNHDMJWRTJJF-UHFFFAOYSA-N 1 0 326.397 -1.096 20 0 EAADRO CS(=O)(=O)CC[NH2+]CC1(O)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001281603482 795021894 /nfs/dbraw/zinc/02/18/94/795021894.db2.gz PBSPZLJUZDGOLI-UHFFFAOYSA-N 1 0 344.437 -1.060 20 0 EAADRO CC(C)(C)NC(=O)C[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001281603745 795022587 /nfs/dbraw/zinc/02/25/87/795022587.db2.gz YPTHYKWFORFDSV-UHFFFAOYSA-N 1 0 328.413 -1.280 20 0 EAADRO O=C([C@H]1CCC(=O)N1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001281603767 795021882 /nfs/dbraw/zinc/02/18/82/795021882.db2.gz ZEZARPWLGZPSRB-GFCCVEGCSA-N 1 0 329.397 -1.783 20 0 EAADRO CCNC(=O)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001281605676 795022013 /nfs/dbraw/zinc/02/20/13/795022013.db2.gz FROIHOQBVWCPOC-UHFFFAOYSA-N 1 0 340.424 -1.266 20 0 EAADRO CCNC(=O)CC(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001281605916 795022091 /nfs/dbraw/zinc/02/20/91/795022091.db2.gz IZFZBBCQRXXCKM-UHFFFAOYSA-N 1 0 340.424 -1.312 20 0 EAADRO CCNC(=O)CC(=O)N1CCC(O)(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001281607012 795023640 /nfs/dbraw/zinc/02/36/40/795023640.db2.gz VTJCKIXBWSQKKR-LLVKDONJSA-N 1 0 328.413 -1.410 20 0 EAADRO CCNC(=O)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001281607013 795023297 /nfs/dbraw/zinc/02/32/97/795023297.db2.gz VTJCKIXBWSQKKR-NSHDSACASA-N 1 0 328.413 -1.410 20 0 EAADRO CN(CC(=O)N1CCC(O)(C[NH2+]CCF)CC1)S(C)(=O)=O ZINC001281613291 795023366 /nfs/dbraw/zinc/02/33/66/795023366.db2.gz QKWMVNBTWMIENW-UHFFFAOYSA-N 1 0 325.406 -1.210 20 0 EAADRO Cn1ccc(CC(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)n1 ZINC001281613420 795024098 /nfs/dbraw/zinc/02/40/98/795024098.db2.gz OUYDLUOYHXTOJD-UHFFFAOYSA-N 1 0 340.424 -1.085 20 0 EAADRO Cn1cc(C(=O)N2CCC(O)(C[NH2+]CCS(C)(=O)=O)CC2)nn1 ZINC001281614275 795023732 /nfs/dbraw/zinc/02/37/32/795023732.db2.gz XHLZNLXWGFQNGG-UHFFFAOYSA-N 1 0 345.425 -1.584 20 0 EAADRO Cc1nnc(CC(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)o1 ZINC001281614337 795023327 /nfs/dbraw/zinc/02/33/27/795023327.db2.gz ZLFSOBVZXRHCQM-UHFFFAOYSA-N 1 0 342.396 -1.127 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC001281618211 795023253 /nfs/dbraw/zinc/02/32/53/795023253.db2.gz IOZQVNAYKGWDRW-JTQLQIEISA-N 1 0 328.413 -1.425 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC001281618212 795024119 /nfs/dbraw/zinc/02/41/19/795024119.db2.gz IOZQVNAYKGWDRW-SNVBAGLBSA-N 1 0 328.413 -1.425 20 0 EAADRO CC(=O)NCC(=O)NCC(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001281618533 795023574 /nfs/dbraw/zinc/02/35/74/795023574.db2.gz NATMXMLNEAWCSA-UHFFFAOYSA-N 1 0 332.376 -1.849 20 0 EAADRO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001281618669 795023347 /nfs/dbraw/zinc/02/33/47/795023347.db2.gz OEYYEZVOASCFIC-GFCCVEGCSA-N 1 0 341.408 -1.151 20 0 EAADRO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001281618670 795023242 /nfs/dbraw/zinc/02/32/42/795023242.db2.gz OEYYEZVOASCFIC-LBPRGKRZSA-N 1 0 341.408 -1.151 20 0 EAADRO CN1CCN(CC(=O)N2CCC(O)(C[NH2+]CCCO)CC2)CC1=O ZINC001281618678 795023445 /nfs/dbraw/zinc/02/34/45/795023445.db2.gz OJRZHZPCGCVNQA-UHFFFAOYSA-N 1 0 342.440 -1.914 20 0 EAADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281618684 795023921 /nfs/dbraw/zinc/02/39/21/795023921.db2.gz OLPWRVJBRVCBBL-UHFFFAOYSA-N 1 0 344.456 -1.622 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC001281618976 795023719 /nfs/dbraw/zinc/02/37/19/795023719.db2.gz SLHIUAVJRNWSGQ-NEPJUHHUSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC001281618980 795023213 /nfs/dbraw/zinc/02/32/13/795023213.db2.gz SLHIUAVJRNWSGQ-NWDGAFQWSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC001281618983 795023828 /nfs/dbraw/zinc/02/38/28/795023828.db2.gz SLHIUAVJRNWSGQ-RYUDHWBXSA-N 1 0 340.424 -1.410 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC001281618984 795023435 /nfs/dbraw/zinc/02/34/35/795023435.db2.gz SLHIUAVJRNWSGQ-VXGBXAGGSA-N 1 0 340.424 -1.410 20 0 EAADRO CCC[NH2+]CC1(O)CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001281619255 795024128 /nfs/dbraw/zinc/02/41/28/795024128.db2.gz YPZIGEKFSRRAPO-UHFFFAOYSA-N 1 0 328.413 -1.408 20 0 EAADRO Cn1nnc2cc(C(=O)N3CCC(O)(C[NH2+]CCO)CC3)cnc21 ZINC001281622653 795024137 /nfs/dbraw/zinc/02/41/37/795024137.db2.gz LSRDOQPCNWYUHT-UHFFFAOYSA-N 1 0 334.380 -1.088 20 0 EAADRO CCCC[NH2+]CC1(O)CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001281623318 795023356 /nfs/dbraw/zinc/02/33/56/795023356.db2.gz QPDQFJPDZNPHQH-UHFFFAOYSA-N 1 0 336.458 -1.217 20 0 EAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC(O)(C[NH2+]CCO)CC2)O1 ZINC001281623801 795024077 /nfs/dbraw/zinc/02/40/77/795024077.db2.gz VYWYGCMXLAQDCH-OLZOCXBDSA-N 1 0 343.424 -1.265 20 0 EAADRO COCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001281626449 795024148 /nfs/dbraw/zinc/02/41/48/795024148.db2.gz FFPVTWISUBUGAV-QWHCGFSZSA-N 1 0 343.424 -1.001 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001281626835 795023316 /nfs/dbraw/zinc/02/33/16/795023316.db2.gz KERLSUYGNLDRDB-NSHDSACASA-N 1 0 329.397 -1.798 20 0 EAADRO Cc1nnc(C[NH2+]CC2(O)CCN(C(=O)C(N)=O)CC2)n1C1CC1 ZINC001281627084 795023271 /nfs/dbraw/zinc/02/32/71/795023271.db2.gz LJKZJTKOWRWLMX-UHFFFAOYSA-N 1 0 336.396 -1.150 20 0 EAADRO Cn1cncc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001281627347 795024017 /nfs/dbraw/zinc/02/40/17/795024017.db2.gz RPBLZTPXYMZEQG-CYBMUJFWSA-N 1 0 335.408 -1.001 20 0 EAADRO Cn1cncc1C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001281627348 795023181 /nfs/dbraw/zinc/02/31/81/795023181.db2.gz RPBLZTPXYMZEQG-ZDUSSCGKSA-N 1 0 335.408 -1.001 20 0 EAADRO Cc1csc(=O)n1CC[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001281627368 795024011 /nfs/dbraw/zinc/02/40/11/795024011.db2.gz OIORTCHHRIBPNH-UHFFFAOYSA-N 1 0 342.421 -1.353 20 0 EAADRO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001281627429 795023706 /nfs/dbraw/zinc/02/37/06/795023706.db2.gz PXRPMORZNPMUSM-LLVKDONJSA-N 1 0 328.413 -1.330 20 0 EAADRO CC(C)N(C)C(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001281627432 795023051 /nfs/dbraw/zinc/02/30/51/795023051.db2.gz PXRPMORZNPMUSM-NSHDSACASA-N 1 0 328.413 -1.330 20 0 EAADRO C[C@@H]([NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1)C(=O)NC1CCCC1 ZINC001281627439 795023502 /nfs/dbraw/zinc/02/35/02/795023502.db2.gz QBWICSWWFJQKLI-LLVKDONJSA-N 1 0 340.424 -1.138 20 0 EAADRO C[C@H]([NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1)C(=O)NC1CCCC1 ZINC001281627441 795023407 /nfs/dbraw/zinc/02/34/07/795023407.db2.gz QBWICSWWFJQKLI-NSHDSACASA-N 1 0 340.424 -1.138 20 0 EAADRO CC(C)COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001281627610 795023391 /nfs/dbraw/zinc/02/33/91/795023391.db2.gz SCVAHYSBSMDSLP-GFCCVEGCSA-N 1 0 331.413 -1.552 20 0 EAADRO CC(C)COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001281627643 795024143 /nfs/dbraw/zinc/02/41/43/795024143.db2.gz SCVAHYSBSMDSLP-LBPRGKRZSA-N 1 0 331.413 -1.552 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001281627667 795024043 /nfs/dbraw/zinc/02/40/43/795024043.db2.gz SJNDFJMKFKLVSK-LLVKDONJSA-N 1 0 347.437 -1.760 20 0 EAADRO NC(=O)C(=O)N1CCC(O)(C[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001281627668 795023978 /nfs/dbraw/zinc/02/39/78/795023978.db2.gz SJNDFJMKFKLVSK-NSHDSACASA-N 1 0 347.437 -1.760 20 0 EAADRO CS(=O)(=O)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001281627825 795023959 /nfs/dbraw/zinc/02/39/59/795023959.db2.gz XYJJHMOMELCTMV-LLVKDONJSA-N 1 0 347.437 -1.890 20 0 EAADRO CS(=O)(=O)CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001281627826 795023483 /nfs/dbraw/zinc/02/34/83/795023483.db2.gz XYJJHMOMELCTMV-NSHDSACASA-N 1 0 347.437 -1.890 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001281627834 795023751 /nfs/dbraw/zinc/02/37/51/795023751.db2.gz YETFYPOIHJDGPH-NWDGAFQWSA-N 1 0 329.397 -1.927 20 0 EAADRO COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001281627835 795024696 /nfs/dbraw/zinc/02/46/96/795024696.db2.gz YETFYPOIHJDGPH-RYUDHWBXSA-N 1 0 329.397 -1.927 20 0 EAADRO CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001281633863 795024850 /nfs/dbraw/zinc/02/48/50/795024850.db2.gz COVCDWZJHNVMBT-UHFFFAOYSA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001281634022 795024907 /nfs/dbraw/zinc/02/49/07/795024907.db2.gz GHELGYTYONAXJC-JTQLQIEISA-N 1 0 327.381 -1.637 20 0 EAADRO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001281634025 795024568 /nfs/dbraw/zinc/02/45/68/795024568.db2.gz GHELGYTYONAXJC-SNVBAGLBSA-N 1 0 327.381 -1.637 20 0 EAADRO O=C(c1nc[nH]n1)N1CCC(O)(C[NH2+]CCN2CCCC2=O)CC1 ZINC001281634346 795025176 /nfs/dbraw/zinc/02/51/76/795025176.db2.gz KEDPJOVPBMKTNP-UHFFFAOYSA-N 1 0 336.396 -1.016 20 0 EAADRO Cc1cc2[nH]c(=O)c(C(=O)N3CCC(O)(C[NH2+]CCO)CC3)cn2n1 ZINC001281634840 795025101 /nfs/dbraw/zinc/02/51/01/795025101.db2.gz OQGOXBOZIQQCNN-UHFFFAOYSA-N 1 0 349.391 -1.120 20 0 EAADRO COCC[NH2+]CC1(O)CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001281635146 795024631 /nfs/dbraw/zinc/02/46/31/795024631.db2.gz SNHATHKXPOBQSP-UHFFFAOYSA-N 1 0 342.396 -1.482 20 0 EAADRO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001281635755 795025005 /nfs/dbraw/zinc/02/50/05/795025005.db2.gz YNOJUZAYYYOYOD-LLVKDONJSA-N 1 0 342.396 -1.796 20 0 EAADRO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001281635757 795024815 /nfs/dbraw/zinc/02/48/15/795024815.db2.gz YNOJUZAYYYOYOD-NSHDSACASA-N 1 0 342.396 -1.796 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001281635868 795024727 /nfs/dbraw/zinc/02/47/27/795024727.db2.gz GSFBAQFSLVWKDZ-ZIAGYGMSSA-N 1 0 336.392 -1.037 20 0 EAADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001281636019 795024951 /nfs/dbraw/zinc/02/49/51/795024951.db2.gz JFSONXWLSIFKHE-JTQLQIEISA-N 1 0 325.406 -1.163 20 0 EAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001281636020 795025126 /nfs/dbraw/zinc/02/51/26/795025126.db2.gz JFSONXWLSIFKHE-SNVBAGLBSA-N 1 0 325.406 -1.163 20 0 EAADRO COCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001281636609 795024930 /nfs/dbraw/zinc/02/49/30/795024930.db2.gz MMSYATUWFWCTEF-JTQLQIEISA-N 1 0 328.369 -1.826 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281637457 795025029 /nfs/dbraw/zinc/02/50/29/795025029.db2.gz UUBIFKNGLCYYSW-UHFFFAOYSA-N 1 0 338.430 -2.682 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001281639120 795024584 /nfs/dbraw/zinc/02/45/84/795024584.db2.gz XVSWOGXTCBUBHF-VXGBXAGGSA-N 1 0 339.400 -1.907 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001281640788 795024687 /nfs/dbraw/zinc/02/46/87/795024687.db2.gz ADGXHGSQUMPGKC-JHJVBQTASA-N 1 0 345.396 -2.332 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001281640789 795024633 /nfs/dbraw/zinc/02/46/33/795024633.db2.gz ADGXHGSQUMPGKC-UPJWGTAASA-N 1 0 345.396 -2.332 20 0 EAADRO O=C([C@H]1CCCS1(=O)=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001281643168 795025687 /nfs/dbraw/zinc/02/56/87/795025687.db2.gz QJXVGQNNPHTEFF-GFCCVEGCSA-N 1 0 334.438 -1.111 20 0 EAADRO O=C([C@@H]1CCCS1(=O)=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001281643170 795025745 /nfs/dbraw/zinc/02/57/45/795025745.db2.gz QJXVGQNNPHTEFF-LBPRGKRZSA-N 1 0 334.438 -1.111 20 0 EAADRO CN1CC(=O)N(CC(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1=O ZINC001281643678 795025505 /nfs/dbraw/zinc/02/55/05/795025505.db2.gz ZEFUOAXGWVEOST-UHFFFAOYSA-N 1 0 341.368 -2.691 20 0 EAADRO C[C@H](CS(C)(=O)=O)C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001281644688 795026141 /nfs/dbraw/zinc/02/61/41/795026141.db2.gz OMMNGGTUOAQVQF-GFCCVEGCSA-N 1 0 336.454 -1.007 20 0 EAADRO C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001281644690 795025926 /nfs/dbraw/zinc/02/59/26/795025926.db2.gz OMMNGGTUOAQVQF-LBPRGKRZSA-N 1 0 336.454 -1.007 20 0 EAADRO NC(=O)CCCC(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001281645027 795025902 /nfs/dbraw/zinc/02/59/02/795025902.db2.gz RDLYTMAVJFDHNT-UHFFFAOYSA-N 1 0 338.412 -1.123 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001281646255 795025489 /nfs/dbraw/zinc/02/54/89/795025489.db2.gz XVMCQZOGEPFZNG-VXGBXAGGSA-N 1 0 349.453 -1.549 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)COCCOC)C1)[NH+](C)C ZINC001281649793 795026891 /nfs/dbraw/zinc/02/68/91/795026891.db2.gz AHOTYQUMISHFSW-FRRDWIJNSA-N 1 0 331.413 -1.323 20 0 EAADRO C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)CC[N@@H+]1C ZINC001281650081 795026332 /nfs/dbraw/zinc/02/63/32/795026332.db2.gz IUGBNTYDKQLARE-NNYUYHANSA-N 1 0 326.397 -1.720 20 0 EAADRO CN(CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)c1cc[nH+]cc1 ZINC001281650541 795026984 /nfs/dbraw/zinc/02/69/84/795026984.db2.gz PMXAPENCAWVHBD-CHWSQXEVSA-N 1 0 349.391 -1.529 20 0 EAADRO COCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001281650671 795026544 /nfs/dbraw/zinc/02/65/44/795026544.db2.gz IVDMGNJAXYODLJ-JHJVBQTASA-N 1 0 329.397 -1.569 20 0 EAADRO COCCOCC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1O ZINC001281651052 795026491 /nfs/dbraw/zinc/02/64/91/795026491.db2.gz KJJHTSQPLMRBDB-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO NC(=O)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001281651116 795027141 /nfs/dbraw/zinc/02/71/41/795027141.db2.gz CNOAFDLFGALHCF-VXGBXAGGSA-N 1 0 326.397 -1.574 20 0 EAADRO COCCOCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001281652135 795027670 /nfs/dbraw/zinc/02/76/70/795027670.db2.gz STEIKCIMUUVJKS-CHWSQXEVSA-N 1 0 331.413 -1.323 20 0 EAADRO Cc1ncoc1C(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001281652750 795027472 /nfs/dbraw/zinc/02/74/72/795027472.db2.gz WAVDPEJNUOOEOU-VXGBXAGGSA-N 1 0 340.380 -1.137 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001281656640 795027765 /nfs/dbraw/zinc/02/77/65/795027765.db2.gz NKHJCUWVNAAYMZ-GRYCIOLGSA-N 1 0 326.397 -1.705 20 0 EAADRO CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001281656641 795028012 /nfs/dbraw/zinc/02/80/12/795028012.db2.gz NKHJCUWVNAAYMZ-IJLUTSLNSA-N 1 0 326.397 -1.705 20 0 EAADRO Cn1cc(C(=O)N[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2O)nn1 ZINC001281661216 795028632 /nfs/dbraw/zinc/02/86/32/795028632.db2.gz MCPBZJXYKYAJKZ-ZYHUDNBSSA-N 1 0 340.384 -2.305 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001281667620 795028645 /nfs/dbraw/zinc/02/86/45/795028645.db2.gz QRAZJYLCTSQUSU-BFHYXJOUSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001281667622 795029047 /nfs/dbraw/zinc/02/90/47/795029047.db2.gz QRAZJYLCTSQUSU-MGPQQGTHSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001281668077 795030037 /nfs/dbraw/zinc/03/00/37/795030037.db2.gz DIJXJROXTKIERW-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001281668096 795029793 /nfs/dbraw/zinc/02/97/93/795029793.db2.gz DWORYONKKSPHHR-CHWSQXEVSA-N 1 0 329.397 -1.567 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001281668449 795029710 /nfs/dbraw/zinc/02/97/10/795029710.db2.gz KWXAJSWTORCXDD-IJLUTSLNSA-N 1 0 326.397 -1.896 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001281668450 795029941 /nfs/dbraw/zinc/02/99/41/795029941.db2.gz KWXAJSWTORCXDD-QJPTWQEYSA-N 1 0 326.397 -1.896 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001281669414 795029894 /nfs/dbraw/zinc/02/98/94/795029894.db2.gz ULTUOULARROXDZ-VXGBXAGGSA-N 1 0 326.397 -1.704 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1O ZINC001281669415 795030346 /nfs/dbraw/zinc/03/03/46/795030346.db2.gz UPQFQLJUHCIGOB-IJLUTSLNSA-N 1 0 326.397 -1.848 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1O ZINC001281669416 795030109 /nfs/dbraw/zinc/03/01/09/795030109.db2.gz UPQFQLJUHCIGOB-QJPTWQEYSA-N 1 0 326.397 -1.848 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001281677139 795029412 /nfs/dbraw/zinc/02/94/12/795029412.db2.gz LRXJLRYLIYZUCA-GMTAPVOTSA-N 1 0 332.376 -1.770 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001281677140 795030252 /nfs/dbraw/zinc/03/02/52/795030252.db2.gz LRXJLRYLIYZUCA-HBNTYKKESA-N 1 0 332.376 -1.770 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001281679093 795030891 /nfs/dbraw/zinc/03/08/91/795030891.db2.gz GRADMWFXKQRNEL-GHMZBOCLSA-N 1 0 328.413 -1.474 20 0 EAADRO CCOCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001281679435 795030793 /nfs/dbraw/zinc/03/07/93/795030793.db2.gz RNEARQLSJFGDMG-HZSPNIEDSA-N 1 0 343.424 -1.178 20 0 EAADRO CCOCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001281679436 795030979 /nfs/dbraw/zinc/03/09/79/795030979.db2.gz RNEARQLSJFGDMG-MGPQQGTHSA-N 1 0 343.424 -1.178 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCC1 ZINC001281679804 795030850 /nfs/dbraw/zinc/03/08/50/795030850.db2.gz WSTWIYRADCWDKW-IJLUTSLNSA-N 1 0 326.397 -1.720 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)[NH+]1CCCC1 ZINC001281679806 795030636 /nfs/dbraw/zinc/03/06/36/795030636.db2.gz WSTWIYRADCWDKW-UTUOFQBUSA-N 1 0 326.397 -1.720 20 0 EAADRO CNC(=O)CCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001281681163 795031064 /nfs/dbraw/zinc/03/10/64/795031064.db2.gz NDIRWLHRYCMWCK-CHWSQXEVSA-N 1 0 342.440 -1.068 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001281684914 795031389 /nfs/dbraw/zinc/03/13/89/795031389.db2.gz NZWBAXFJOVYUMY-VXGBXAGGSA-N 1 0 342.440 -1.082 20 0 EAADRO C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001281684973 795031408 /nfs/dbraw/zinc/03/14/08/795031408.db2.gz SCLUOHDHYORUPD-JHJVBQTASA-N 1 0 338.408 -1.705 20 0 EAADRO C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001281684974 795031445 /nfs/dbraw/zinc/03/14/45/795031445.db2.gz SCLUOHDHYORUPD-YNEHKIRRSA-N 1 0 338.408 -1.705 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001281685960 795030999 /nfs/dbraw/zinc/03/09/99/795030999.db2.gz WQGOICPAAUAERQ-GHMZBOCLSA-N 1 0 328.413 -1.472 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001281685976 795031542 /nfs/dbraw/zinc/03/15/42/795031542.db2.gz XFYDMRRURDYCAP-GHMZBOCLSA-N 1 0 338.408 -1.718 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001281686016 795031267 /nfs/dbraw/zinc/03/12/67/795031267.db2.gz ZHKWUOAWBNSASZ-GMTAPVOTSA-N 1 0 326.397 -1.720 20 0 EAADRO CC[C@]1(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)CCNC1=O ZINC001281686119 795031149 /nfs/dbraw/zinc/03/11/49/795031149.db2.gz KHQODCGMNKBZQT-HSMVNMDESA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@@]1(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)CCNC1=O ZINC001281686120 795031294 /nfs/dbraw/zinc/03/12/94/795031294.db2.gz KHQODCGMNKBZQT-XHBSWPGZSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001281688965 795032422 /nfs/dbraw/zinc/03/24/22/795032422.db2.gz CSEDDULRHZLHPP-GRYCIOLGSA-N 1 0 338.408 -1.705 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001281688966 795032744 /nfs/dbraw/zinc/03/27/44/795032744.db2.gz CSEDDULRHZLHPP-IJLUTSLNSA-N 1 0 338.408 -1.705 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001281688987 795031864 /nfs/dbraw/zinc/03/18/64/795031864.db2.gz DUGSXOMUQDSMQM-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2O)CC1 ZINC001281690249 795032655 /nfs/dbraw/zinc/03/26/55/795032655.db2.gz VUAUPPDSSXESAR-VXGBXAGGSA-N 1 0 340.424 -1.459 20 0 EAADRO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)n1 ZINC001281690942 795031944 /nfs/dbraw/zinc/03/19/44/795031944.db2.gz ZXLSJSIAMSIQLJ-CHWSQXEVSA-N 1 0 338.412 -1.152 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001281692177 795032653 /nfs/dbraw/zinc/03/26/53/795032653.db2.gz ICQKNCBHKXWVNO-GMTAPVOTSA-N 1 0 340.380 -2.321 20 0 EAADRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001281692179 795032054 /nfs/dbraw/zinc/03/20/54/795032054.db2.gz ICQKNCBHKXWVNO-HBNTYKKESA-N 1 0 340.380 -2.321 20 0 EAADRO COC(=O)NCC(=O)NCC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001281696671 795032026 /nfs/dbraw/zinc/03/20/26/795032026.db2.gz OHEZJOUWVGMCNS-VIFPVBQESA-N 1 0 329.357 -1.621 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001281698018 795032994 /nfs/dbraw/zinc/03/29/94/795032994.db2.gz CJWIFOOAVKRSOS-QJPTWQEYSA-N 1 0 343.428 -1.537 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001281698283 795033590 /nfs/dbraw/zinc/03/35/90/795033590.db2.gz GTXKYWRHWHOMCX-CHWSQXEVSA-N 1 0 342.440 -1.116 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001281698321 795033007 /nfs/dbraw/zinc/03/30/07/795033007.db2.gz HVCBEVMVTYFZMA-CHWSQXEVSA-N 1 0 338.412 -1.302 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001281699622 795033809 /nfs/dbraw/zinc/03/38/09/795033809.db2.gz FGWJVIKTRZDQBU-IJLUTSLNSA-N 1 0 342.396 -2.611 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001281699623 795033687 /nfs/dbraw/zinc/03/36/87/795033687.db2.gz FGWJVIKTRZDQBU-QJPTWQEYSA-N 1 0 342.396 -2.611 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001281699681 795033308 /nfs/dbraw/zinc/03/33/08/795033308.db2.gz GXEWRRBNBMKKSO-IJLUTSLNSA-N 1 0 326.397 -1.848 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001281699682 795033435 /nfs/dbraw/zinc/03/34/35/795033435.db2.gz GXEWRRBNBMKKSO-QJPTWQEYSA-N 1 0 326.397 -1.848 20 0 EAADRO Cc1c(C(=O)NCC[C@H](C)[NH2+]CCN2C(=O)CNC2=O)nnn1C ZINC001281701971 795033564 /nfs/dbraw/zinc/03/35/64/795033564.db2.gz NCBHRCVKVLUOPW-VIFPVBQESA-N 1 0 337.384 -1.227 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001281702471 795033818 /nfs/dbraw/zinc/03/38/18/795033818.db2.gz LFSNRYFTUKSJFJ-GRYCIOLGSA-N 1 0 326.397 -1.705 20 0 EAADRO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2O)n1 ZINC001281702574 795033152 /nfs/dbraw/zinc/03/31/52/795033152.db2.gz MSKWFWMCBMSVNM-NXEZZACHSA-N 1 0 341.372 -2.910 20 0 EAADRO CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001281705374 795033739 /nfs/dbraw/zinc/03/37/39/795033739.db2.gz XGECYSXQCNCKKI-VXGBXAGGSA-N 1 0 328.413 -1.328 20 0 EAADRO CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)C1=O ZINC001281705641 795033624 /nfs/dbraw/zinc/03/36/24/795033624.db2.gz BORKGZCDHUUXJF-IJLUTSLNSA-N 1 0 326.397 -1.896 20 0 EAADRO CN1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)C1=O ZINC001281705642 795033573 /nfs/dbraw/zinc/03/35/73/795033573.db2.gz BORKGZCDHUUXJF-QJPTWQEYSA-N 1 0 326.397 -1.896 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001281706150 795033495 /nfs/dbraw/zinc/03/34/95/795033495.db2.gz HIIICSCHLKBYTM-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001281706195 795033661 /nfs/dbraw/zinc/03/36/61/795033661.db2.gz OFXQHIBGKNYDKN-JHJVBQTASA-N 1 0 340.424 -1.507 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001281706196 795033375 /nfs/dbraw/zinc/03/33/75/795033375.db2.gz OFXQHIBGKNYDKN-YNEHKIRRSA-N 1 0 340.424 -1.507 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(=O)NCC3CC3)C2)C1 ZINC001281707747 795033401 /nfs/dbraw/zinc/03/34/01/795033401.db2.gz CWAWXYUDHINIPN-JHJVBQTASA-N 1 0 338.408 -1.848 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(=O)NCC3CC3)C2)C1 ZINC001281707748 795033021 /nfs/dbraw/zinc/03/30/21/795033021.db2.gz CWAWXYUDHINIPN-YNEHKIRRSA-N 1 0 338.408 -1.848 20 0 EAADRO C[C@@H](CCNC(=O)c1cnn(C)c1N)[NH2+]CCN1C(=O)CNC1=O ZINC001281707851 795033264 /nfs/dbraw/zinc/03/32/64/795033264.db2.gz SCLSEHBOSHPBOO-VIFPVBQESA-N 1 0 337.384 -1.348 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1)[NH+](C)C ZINC001281708320 795033786 /nfs/dbraw/zinc/03/37/86/795033786.db2.gz IGEHAIMJXBJXAD-JHJVBQTASA-N 1 0 340.424 -1.459 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001281708987 795034417 /nfs/dbraw/zinc/03/44/17/795034417.db2.gz RDOLJWZWDLCBAB-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001281709150 795034849 /nfs/dbraw/zinc/03/48/49/795034849.db2.gz JLRXBJJBWBVEIU-IJLUTSLNSA-N 1 0 338.408 -1.718 20 0 EAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001281709151 795034861 /nfs/dbraw/zinc/03/48/61/795034861.db2.gz JLRXBJJBWBVEIU-QJPTWQEYSA-N 1 0 338.408 -1.718 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001281709183 795034604 /nfs/dbraw/zinc/03/46/04/795034604.db2.gz SIFMHQZOOSLXNM-FRRDWIJNSA-N 1 0 338.408 -1.705 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001281709184 795034092 /nfs/dbraw/zinc/03/40/92/795034092.db2.gz SIFMHQZOOSLXNM-JHJVBQTASA-N 1 0 338.408 -1.705 20 0 EAADRO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001281709709 795034575 /nfs/dbraw/zinc/03/45/75/795034575.db2.gz NTYIITXALVCGCU-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001281709934 795034049 /nfs/dbraw/zinc/03/40/49/795034049.db2.gz HVXOKWMPFDBOPO-CHWSQXEVSA-N 1 0 343.424 -1.321 20 0 EAADRO C[C@H](COCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001281710158 795034196 /nfs/dbraw/zinc/03/41/96/795034196.db2.gz TXYGNHSXONYZJD-IJLUTSLNSA-N 1 0 342.396 -2.340 20 0 EAADRO C[C@@H](COCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)[NH+]1CCCC1 ZINC001281710159 795034463 /nfs/dbraw/zinc/03/44/63/795034463.db2.gz TXYGNHSXONYZJD-QJPTWQEYSA-N 1 0 342.396 -2.340 20 0 EAADRO CC[N@H+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 ZINC001281710438 795034623 /nfs/dbraw/zinc/03/46/23/795034623.db2.gz WBPSDLGUHURKKA-MCIONIFRSA-N 1 0 348.403 -1.147 20 0 EAADRO CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 ZINC001281710440 795034768 /nfs/dbraw/zinc/03/47/68/795034768.db2.gz WBPSDLGUHURKKA-MGPQQGTHSA-N 1 0 348.403 -1.147 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001281710805 795034466 /nfs/dbraw/zinc/03/44/66/795034466.db2.gz QQLROWRCCODKDO-VXGBXAGGSA-N 1 0 340.424 -1.506 20 0 EAADRO CN1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001281710858 795034702 /nfs/dbraw/zinc/03/47/02/795034702.db2.gz TZHKFWLAYLNWTP-JHJVBQTASA-N 1 0 340.424 -1.506 20 0 EAADRO CN1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001281710859 795034434 /nfs/dbraw/zinc/03/44/34/795034434.db2.gz TZHKFWLAYLNWTP-YNEHKIRRSA-N 1 0 340.424 -1.506 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001281711141 795034252 /nfs/dbraw/zinc/03/42/52/795034252.db2.gz DVZBMJKXQHEGBV-GHMZBOCLSA-N 1 0 340.380 -2.225 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001281712311 795034298 /nfs/dbraw/zinc/03/42/98/795034298.db2.gz UYUNECZQQXCKRS-UMVBOHGHSA-N 1 0 345.440 -1.077 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 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/nfs/dbraw/zinc/04/34/43/795043443.db2.gz OXMVVYWLHNZQHR-UTUOFQBUSA-N 1 0 326.397 -1.578 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001281876314 795043456 /nfs/dbraw/zinc/04/34/56/795043456.db2.gz OXMVVYWLHNZQHR-WOPDTQHZSA-N 1 0 326.397 -1.578 20 0 EAADRO C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001281876371 795043034 /nfs/dbraw/zinc/04/30/34/795043034.db2.gz RAMMZCHQVFVUFR-MNOVXSKESA-N 1 0 338.364 -1.482 20 0 EAADRO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C(C)C ZINC001281876393 795042955 /nfs/dbraw/zinc/04/29/55/795042955.db2.gz RZHRQNFCJGHSRW-TYNCELHUSA-N 1 0 342.440 -1.084 20 0 EAADRO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C(C)C ZINC001281876394 795043241 /nfs/dbraw/zinc/04/32/41/795043241.db2.gz RZHRQNFCJGHSRW-XUJVJEKNSA-N 1 0 342.440 -1.084 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001281876520 795043263 /nfs/dbraw/zinc/04/32/63/795043263.db2.gz WWMXGDPGVNNADI-UPJWGTAASA-N 1 0 340.424 -1.187 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001281876521 795043664 /nfs/dbraw/zinc/04/36/64/795043664.db2.gz WWMXGDPGVNNADI-XQQFMLRXSA-N 1 0 340.424 -1.187 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCCC[C@H]1C[NH2+]CCn1cncn1 ZINC001281877019 795043310 /nfs/dbraw/zinc/04/33/10/795043310.db2.gz ANLVHGOFVDPIJK-AWEZNQCLSA-N 1 0 349.439 -1.319 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC001281877380 795043074 /nfs/dbraw/zinc/04/30/74/795043074.db2.gz HSIKGVYXWPWYDH-QWRGUYRKSA-N 1 0 339.396 -1.451 20 0 EAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC001281877381 795043334 /nfs/dbraw/zinc/04/33/34/795043334.db2.gz HSIKGVYXWPWYDH-WDEREUQCSA-N 1 0 339.396 -1.451 20 0 EAADRO O=C(CN1CCNC(=O)C1)N1CCCC[C@H]1C[NH2+]CCOCCO ZINC001281878813 795043189 /nfs/dbraw/zinc/04/31/89/795043189.db2.gz YLFNUEQGSZWZAC-AWEZNQCLSA-N 1 0 342.440 -1.602 20 0 EAADRO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)CCO1 ZINC001281881279 795044350 /nfs/dbraw/zinc/04/43/50/795044350.db2.gz JJUCTSFQHYGWGQ-NEPJUHHUSA-N 1 0 326.397 -1.310 20 0 EAADRO C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)CCO1 ZINC001281881281 795044220 /nfs/dbraw/zinc/04/42/20/795044220.db2.gz JJUCTSFQHYGWGQ-RYUDHWBXSA-N 1 0 326.397 -1.310 20 0 EAADRO CC1(C)NC(=O)N(CC[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)C1=O ZINC001281881471 795044442 /nfs/dbraw/zinc/04/44/42/795044442.db2.gz MJSNQIGHUKSNKL-JTQLQIEISA-N 1 0 339.396 -1.227 20 0 EAADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001281882002 795044579 /nfs/dbraw/zinc/04/45/79/795044579.db2.gz SNCHMXWCWJDABI-NSHDSACASA-N 1 0 334.442 -1.228 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001281884698 795044590 /nfs/dbraw/zinc/04/45/90/795044590.db2.gz HCDXYGRCNMJFAS-NEPJUHHUSA-N 1 0 343.428 -1.535 20 0 EAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1CC1 ZINC001281888762 795045216 /nfs/dbraw/zinc/04/52/16/795045216.db2.gz DCGMSHGFKYUUJP-NSHDSACASA-N 1 0 339.396 -1.322 20 0 EAADRO O=C(c1nc[nH]n1)N1CCCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001281889114 795045670 /nfs/dbraw/zinc/04/56/70/795045670.db2.gz URUYNPGUFZDBKT-JTQLQIEISA-N 1 0 335.368 -1.059 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001281889789 795044922 /nfs/dbraw/zinc/04/49/22/795044922.db2.gz DIJXJROXTKIERW-KGLIPLIRSA-N 1 0 343.424 -1.177 20 0 EAADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1O ZINC001281890876 795045042 /nfs/dbraw/zinc/04/50/42/795045042.db2.gz RFGZRNGLCHUAEM-ZJUUUORDSA-N 1 0 348.350 -1.849 20 0 EAADRO COCCOCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001281890986 795045764 /nfs/dbraw/zinc/04/57/64/795045764.db2.gz VSKNRSYBKZUGOH-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOCCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001281890987 795045157 /nfs/dbraw/zinc/04/51/57/795045157.db2.gz VSKNRSYBKZUGOH-MJBXVCDLSA-N 1 0 343.424 -1.321 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@@H]2O)C1 ZINC001281891158 795045448 /nfs/dbraw/zinc/04/54/48/795045448.db2.gz XYVQTVJWXRRLPE-AEJSXWLSSA-N 1 0 348.350 -1.993 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@@H]2O)C1 ZINC001281891159 795045731 /nfs/dbraw/zinc/04/57/31/795045731.db2.gz XYVQTVJWXRRLPE-BBBLOLIVSA-N 1 0 348.350 -1.993 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001281891706 795044970 /nfs/dbraw/zinc/04/49/70/795044970.db2.gz PCOJTZLXMJBBQS-MNOVXSKESA-N 1 0 341.372 -3.061 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001281892652 795047029 /nfs/dbraw/zinc/04/70/29/795047029.db2.gz QXMHOKQSJQYXSA-UPJWGTAASA-N 1 0 340.424 -1.506 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001281892654 795046806 /nfs/dbraw/zinc/04/68/06/795046806.db2.gz QXMHOKQSJQYXSA-XQQFMLRXSA-N 1 0 340.424 -1.506 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001281893254 795046063 /nfs/dbraw/zinc/04/60/63/795046063.db2.gz LOYSIZBAVCHDEO-NWDGAFQWSA-N 1 0 342.396 -1.484 20 0 EAADRO O=C(Cn1cncn1)N1CCCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001281893475 795046354 /nfs/dbraw/zinc/04/63/54/795046354.db2.gz WJXDAPXEWQOOBW-LBPRGKRZSA-N 1 0 349.395 -1.199 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001281898497 795046745 /nfs/dbraw/zinc/04/67/45/795046745.db2.gz FVLJSQMCRWNVJX-UPJWGTAASA-N 1 0 340.424 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001281898498 795046287 /nfs/dbraw/zinc/04/62/87/795046287.db2.gz FVLJSQMCRWNVJX-XQQFMLRXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001281898834 795046367 /nfs/dbraw/zinc/04/63/67/795046367.db2.gz MDXRWBMBNKHOTR-UPJWGTAASA-N 1 0 340.424 -1.507 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001281898836 795046701 /nfs/dbraw/zinc/04/67/01/795046701.db2.gz MDXRWBMBNKHOTR-XQQFMLRXSA-N 1 0 340.424 -1.507 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001281899080 795046844 /nfs/dbraw/zinc/04/68/44/795046844.db2.gz MCHONHVQPPFBPB-UPJWGTAASA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001281899082 795046685 /nfs/dbraw/zinc/04/66/85/795046685.db2.gz MCHONHVQPPFBPB-XQQFMLRXSA-N 1 0 340.424 -1.458 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCCC1 ZINC001281899100 795046008 /nfs/dbraw/zinc/04/60/08/795046008.db2.gz PPUHYSMIGBRIJU-AGIUHOORSA-N 1 0 340.424 -1.330 20 0 EAADRO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O)[NH+]1CCCCC1 ZINC001281899104 795046241 /nfs/dbraw/zinc/04/62/41/795046241.db2.gz PPUHYSMIGBRIJU-FRRDWIJNSA-N 1 0 340.424 -1.330 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1O ZINC001281899339 795046593 /nfs/dbraw/zinc/04/65/93/795046593.db2.gz RTKCBDIKUVFEFT-BFQNTYOBSA-N 1 0 340.424 -1.459 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1O ZINC001281899342 795046111 /nfs/dbraw/zinc/04/61/11/795046111.db2.gz RTKCBDIKUVFEFT-WQGACYEGSA-N 1 0 340.424 -1.459 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@@H]2O)CCC1 ZINC001281900069 795045986 /nfs/dbraw/zinc/04/59/86/795045986.db2.gz ZFIKVHLJTCSZBW-TUAOUCFPSA-N 1 0 338.408 -1.705 20 0 EAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@@H]2O)CCC1 ZINC001281900070 795047003 /nfs/dbraw/zinc/04/70/03/795047003.db2.gz ZFIKVHLJTCSZBW-UTUOFQBUSA-N 1 0 338.408 -1.705 20 0 EAADRO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001281901921 795048289 /nfs/dbraw/zinc/04/82/89/795048289.db2.gz CLPDIAKUXWIQOF-MNOVXSKESA-N 1 0 328.413 -1.472 20 0 EAADRO COCCOCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001281902942 795047267 /nfs/dbraw/zinc/04/72/67/795047267.db2.gz UYUNECZQQXCKRS-IPYPFGDCSA-N 1 0 345.440 -1.077 20 0 EAADRO CC[C@@]1(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CCNC1=O ZINC001281903267 795047772 /nfs/dbraw/zinc/04/77/72/795047772.db2.gz KHQODCGMNKBZQT-BFQNTYOBSA-N 1 0 340.424 -1.458 20 0 EAADRO CC[C@]1(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CCNC1=O ZINC001281903268 795048155 /nfs/dbraw/zinc/04/81/55/795048155.db2.gz KHQODCGMNKBZQT-WQGACYEGSA-N 1 0 340.424 -1.458 20 0 EAADRO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001281903310 795048264 /nfs/dbraw/zinc/04/82/64/795048264.db2.gz LJRUGJOGHPARKX-TUAOUCFPSA-N 1 0 326.397 -1.576 20 0 EAADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001281903311 795047847 /nfs/dbraw/zinc/04/78/47/795047847.db2.gz LJRUGJOGHPARKX-UTUOFQBUSA-N 1 0 326.397 -1.576 20 0 EAADRO COCCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001281903862 795047694 /nfs/dbraw/zinc/04/76/94/795047694.db2.gz ABRLFLBAQKELPW-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO 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20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC(N)=O)CC1 ZINC001282109877 795058952 /nfs/dbraw/zinc/05/89/52/795058952.db2.gz DGUXGOVDCXGOJP-MNOVXSKESA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(N)=O)CC1 ZINC001282109878 795059148 /nfs/dbraw/zinc/05/91/48/795059148.db2.gz DGUXGOVDCXGOJP-QWRGUYRKSA-N 1 0 341.412 -1.965 20 0 EAADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(N)=O)CC1 ZINC001282109880 795059384 /nfs/dbraw/zinc/05/93/84/795059384.db2.gz DGUXGOVDCXGOJP-WDEREUQCSA-N 1 0 341.412 -1.965 20 0 EAADRO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)[C@H](C)NC(=O)CC(N)=O ZINC001282112808 795059410 /nfs/dbraw/zinc/05/94/10/795059410.db2.gz MZQGIHDPHKFENW-BDAKNGLRSA-N 1 0 325.369 -2.058 20 0 EAADRO C[C@@H](NC(=O)CC(N)=O)[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001282112812 795059551 /nfs/dbraw/zinc/05/95/51/795059551.db2.gz MZQGIHDPHKFENW-DTWKUNHWSA-N 1 0 325.369 -2.058 20 0 EAADRO C[C@H](NC(=O)CC(N)=O)[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001282112814 795059871 /nfs/dbraw/zinc/05/98/71/795059871.db2.gz MZQGIHDPHKFENW-IUCAKERBSA-N 1 0 325.369 -2.058 20 0 EAADRO C[C@@H](NC(=O)CC(N)=O)[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001282112815 795059163 /nfs/dbraw/zinc/05/91/63/795059163.db2.gz MZQGIHDPHKFENW-RKDXNWHRSA-N 1 0 325.369 -2.058 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnnn1C ZINC001282122131 795059287 /nfs/dbraw/zinc/05/92/87/795059287.db2.gz FWCZCBNCRQGCIA-NXEZZACHSA-N 1 0 332.430 -1.149 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnnn1C ZINC001282122144 795059621 /nfs/dbraw/zinc/05/96/21/795059621.db2.gz FWCZCBNCRQGCIA-UWVGGRQHSA-N 1 0 332.430 -1.149 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnnn1C ZINC001282122148 795059265 /nfs/dbraw/zinc/05/92/65/795059265.db2.gz FWCZCBNCRQGCIA-VHSXEESVSA-N 1 0 332.430 -1.149 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnnn1C ZINC001282122152 795059005 /nfs/dbraw/zinc/05/90/05/795059005.db2.gz FWCZCBNCRQGCIA-ZJUUUORDSA-N 1 0 332.430 -1.149 20 0 EAADRO CCn1ncc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCNS(C)(=O)=O)n1 ZINC001282124032 795059732 /nfs/dbraw/zinc/05/97/32/795059732.db2.gz MVRULLOQDPQHBD-NXEZZACHSA-N 1 0 332.430 -1.056 20 0 EAADRO CCn1ncc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCNS(C)(=O)=O)n1 ZINC001282124033 795059073 /nfs/dbraw/zinc/05/90/73/795059073.db2.gz MVRULLOQDPQHBD-UWVGGRQHSA-N 1 0 332.430 -1.056 20 0 EAADRO CCn1ncc(C(=O)N[C@H](C)[C@H](C)[NH2+]CCNS(C)(=O)=O)n1 ZINC001282124034 795059915 /nfs/dbraw/zinc/05/99/15/795059915.db2.gz MVRULLOQDPQHBD-VHSXEESVSA-N 1 0 332.430 -1.056 20 0 EAADRO CCn1ncc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCNS(C)(=O)=O)n1 ZINC001282124035 785394108 /nfs/dbraw/zinc/39/41/08/785394108.db2.gz MVRULLOQDPQHBD-ZJUUUORDSA-N 1 0 332.430 -1.056 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)o1 ZINC001282124866 795059654 /nfs/dbraw/zinc/05/96/54/795059654.db2.gz RBHFEOKBEWZJHW-BDAKNGLRSA-N 1 0 338.368 -1.045 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN2C(=O)CNC2=O)o1 ZINC001282124867 795059571 /nfs/dbraw/zinc/05/95/71/795059571.db2.gz RBHFEOKBEWZJHW-DTWKUNHWSA-N 1 0 338.368 -1.045 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCN2C(=O)CNC2=O)o1 ZINC001282124868 795058912 /nfs/dbraw/zinc/05/89/12/795058912.db2.gz RBHFEOKBEWZJHW-IUCAKERBSA-N 1 0 338.368 -1.045 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)o1 ZINC001282124869 795058937 /nfs/dbraw/zinc/05/89/37/795058937.db2.gz RBHFEOKBEWZJHW-RKDXNWHRSA-N 1 0 338.368 -1.045 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001282125811 795059185 /nfs/dbraw/zinc/05/91/85/795059185.db2.gz YVOOVOYOKKYUQA-GHMZBOCLSA-N 1 0 348.469 -1.113 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001282125812 795059241 /nfs/dbraw/zinc/05/92/41/795059241.db2.gz YVOOVOYOKKYUQA-MNOVXSKESA-N 1 0 348.469 -1.113 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001282125813 795059782 /nfs/dbraw/zinc/05/97/82/795059782.db2.gz YVOOVOYOKKYUQA-QWRGUYRKSA-N 1 0 348.469 -1.113 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001282125814 795058863 /nfs/dbraw/zinc/05/88/63/795058863.db2.gz YVOOVOYOKKYUQA-WDEREUQCSA-N 1 0 348.469 -1.113 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)[nH]1 ZINC001282129803 795059457 /nfs/dbraw/zinc/05/94/57/795059457.db2.gz VAJBNLNROXTHCT-BDAKNGLRSA-N 1 0 337.384 -1.310 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN2C(=O)CNC2=O)[nH]1 ZINC001282129804 795059713 /nfs/dbraw/zinc/05/97/13/795059713.db2.gz VAJBNLNROXTHCT-DTWKUNHWSA-N 1 0 337.384 -1.310 20 0 EAADRO Cc1nnc(CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCN2C(=O)CNC2=O)[nH]1 ZINC001282129805 795058980 /nfs/dbraw/zinc/05/89/80/795058980.db2.gz VAJBNLNROXTHCT-IUCAKERBSA-N 1 0 337.384 -1.310 20 0 EAADRO Cc1nnc(CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)[nH]1 ZINC001282129806 795058921 /nfs/dbraw/zinc/05/89/21/795058921.db2.gz VAJBNLNROXTHCT-RKDXNWHRSA-N 1 0 337.384 -1.310 20 0 EAADRO C[C@@H](NC(=O)Cc1ccn(C)n1)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282129984 795059677 /nfs/dbraw/zinc/05/96/77/795059677.db2.gz VPZCALSNHULSOD-GHMZBOCLSA-N 1 0 331.442 -1.005 20 0 EAADRO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001282129986 795058858 /nfs/dbraw/zinc/05/88/58/795058858.db2.gz VPZCALSNHULSOD-MNOVXSKESA-N 1 0 331.442 -1.005 20 0 EAADRO C[C@H](NC(=O)Cc1ccn(C)n1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282129988 795059476 /nfs/dbraw/zinc/05/94/76/795059476.db2.gz VPZCALSNHULSOD-QWRGUYRKSA-N 1 0 331.442 -1.005 20 0 EAADRO C[C@@H](NC(=O)Cc1ccn(C)n1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282129990 795059097 /nfs/dbraw/zinc/05/90/97/795059097.db2.gz VPZCALSNHULSOD-WDEREUQCSA-N 1 0 331.442 -1.005 20 0 EAADRO C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001282130355 795059109 /nfs/dbraw/zinc/05/91/09/795059109.db2.gz XHDLCMCASWCFPZ-NXEZZACHSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@H](NC(=O)Cn1ncnn1)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001282130358 795059685 /nfs/dbraw/zinc/05/96/85/795059685.db2.gz XHDLCMCASWCFPZ-UWVGGRQHSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@@H](NC(=O)Cn1ncnn1)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001282130360 795059542 /nfs/dbraw/zinc/05/95/42/795059542.db2.gz XHDLCMCASWCFPZ-VHSXEESVSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)[C@H](C)NC(=O)Cn1ncnn1 ZINC001282130362 795059665 /nfs/dbraw/zinc/05/96/65/795059665.db2.gz XHDLCMCASWCFPZ-ZJUUUORDSA-N 1 0 338.372 -1.902 20 0 EAADRO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001282133178 795059581 /nfs/dbraw/zinc/05/95/81/795059581.db2.gz KWJYRZWSDKTNJE-BDAKNGLRSA-N 1 0 341.455 -1.937 20 0 EAADRO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282133179 795059814 /nfs/dbraw/zinc/05/98/14/795059814.db2.gz KWJYRZWSDKTNJE-DTWKUNHWSA-N 1 0 341.455 -1.937 20 0 EAADRO C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282133180 795058823 /nfs/dbraw/zinc/05/88/23/795058823.db2.gz KWJYRZWSDKTNJE-IUCAKERBSA-N 1 0 341.455 -1.937 20 0 EAADRO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282133181 785395683 /nfs/dbraw/zinc/39/56/83/785395683.db2.gz KWJYRZWSDKTNJE-RKDXNWHRSA-N 1 0 341.455 -1.937 20 0 EAADRO C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001282144291 795060902 /nfs/dbraw/zinc/06/09/02/795060902.db2.gz ZMWXUXAGHCBURK-NXEZZACHSA-N 1 0 341.412 -2.061 20 0 EAADRO C[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001282144295 795060608 /nfs/dbraw/zinc/06/06/08/795060608.db2.gz ZMWXUXAGHCBURK-UWVGGRQHSA-N 1 0 341.412 -2.061 20 0 EAADRO C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001282144296 795061075 /nfs/dbraw/zinc/06/10/75/795061075.db2.gz ZMWXUXAGHCBURK-VHSXEESVSA-N 1 0 341.412 -2.061 20 0 EAADRO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001282144298 795060427 /nfs/dbraw/zinc/06/04/27/795060427.db2.gz ZMWXUXAGHCBURK-ZJUUUORDSA-N 1 0 341.412 -2.061 20 0 EAADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001282150273 795061109 /nfs/dbraw/zinc/06/11/09/795061109.db2.gz ZFIWKCOJRJNWIL-BDAKNGLRSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@@H](NC(=O)c1cn[nH]c(=O)c1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001282150274 795060171 /nfs/dbraw/zinc/06/01/71/795060171.db2.gz ZFIWKCOJRJNWIL-DTWKUNHWSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@H](NC(=O)c1cn[nH]c(=O)c1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001282150275 795060662 /nfs/dbraw/zinc/06/06/62/795060662.db2.gz ZFIWKCOJRJNWIL-IUCAKERBSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@@H](NC(=O)c1cn[nH]c(=O)c1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001282150276 795060856 /nfs/dbraw/zinc/06/08/56/795060856.db2.gz ZFIWKCOJRJNWIL-RKDXNWHRSA-N 1 0 336.352 -1.170 20 0 EAADRO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001282155940 795060358 /nfs/dbraw/zinc/06/03/58/795060358.db2.gz KJCDJJQHJLFYAQ-BDAKNGLRSA-N 1 0 345.367 -1.157 20 0 EAADRO C[C@@H](NC(=O)c1ccc2nnnn2c1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001282155941 795060637 /nfs/dbraw/zinc/06/06/37/795060637.db2.gz KJCDJJQHJLFYAQ-DTWKUNHWSA-N 1 0 345.367 -1.157 20 0 EAADRO C[C@H](NC(=O)c1ccc2nnnn2c1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001282155942 795060736 /nfs/dbraw/zinc/06/07/36/795060736.db2.gz KJCDJJQHJLFYAQ-IUCAKERBSA-N 1 0 345.367 -1.157 20 0 EAADRO C[C@@H](NC(=O)c1ccc2nnnn2c1)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001282155943 795060710 /nfs/dbraw/zinc/06/07/10/795060710.db2.gz KJCDJJQHJLFYAQ-RKDXNWHRSA-N 1 0 345.367 -1.157 20 0 EAADRO C[C@@H]([NH2+]CCN1CCNC1=O)[C@H](C)NC(=O)C(=O)NCC(F)F ZINC001282163183 795060052 /nfs/dbraw/zinc/06/00/52/795060052.db2.gz WVRCBEBQBQUUGH-BDAKNGLRSA-N 1 0 335.355 -1.124 20 0 EAADRO C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](C)[NH2+]CCN1CCNC1=O ZINC001282163184 795061066 /nfs/dbraw/zinc/06/10/66/795061066.db2.gz WVRCBEBQBQUUGH-DTWKUNHWSA-N 1 0 335.355 -1.124 20 0 EAADRO C[C@H](NC(=O)C(=O)NCC(F)F)[C@H](C)[NH2+]CCN1CCNC1=O ZINC001282163185 795060320 /nfs/dbraw/zinc/06/03/20/795060320.db2.gz WVRCBEBQBQUUGH-IUCAKERBSA-N 1 0 335.355 -1.124 20 0 EAADRO C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001282163186 795060515 /nfs/dbraw/zinc/06/05/15/795060515.db2.gz WVRCBEBQBQUUGH-RKDXNWHRSA-N 1 0 335.355 -1.124 20 0 EAADRO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2NC(=O)CC[NH+](C)C)cn1 ZINC001282168448 795060258 /nfs/dbraw/zinc/06/02/58/795060258.db2.gz YGOCCUHFOYQEOR-NWDGAFQWSA-N 1 0 336.396 -1.732 20 0 EAADRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C(N)=O ZINC001282178656 795060329 /nfs/dbraw/zinc/06/03/29/795060329.db2.gz GYTLXUJLURVXKK-IJLUTSLNSA-N 1 0 326.397 -1.597 20 0 EAADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C(N)=O ZINC001282178657 795060110 /nfs/dbraw/zinc/06/01/10/795060110.db2.gz GYTLXUJLURVXKK-QJPTWQEYSA-N 1 0 326.397 -1.597 20 0 EAADRO CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)C(N)=O ZINC001282179275 795060967 /nfs/dbraw/zinc/06/09/67/795060967.db2.gz NKKRAAKJUVJEHG-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)C(N)=O ZINC001282180808 795060095 /nfs/dbraw/zinc/06/00/95/795060095.db2.gz JZJIJZIBNHMYTJ-CHWSQXEVSA-N 1 0 340.424 -1.207 20 0 EAADRO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](OCC)C1 ZINC001282181715 795060068 /nfs/dbraw/zinc/06/00/68/795060068.db2.gz FQKHSCAFRWRNQM-VXGBXAGGSA-N 1 0 328.413 -1.207 20 0 EAADRO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001282188154 795060181 /nfs/dbraw/zinc/06/01/81/795060181.db2.gz ZUBCEHBNLYCJTR-VXGBXAGGSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001282205710 795061581 /nfs/dbraw/zinc/06/15/81/795061581.db2.gz HUFIYTHUTQHKBZ-GHMZBOCLSA-N 1 0 339.396 -1.502 20 0 EAADRO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001282205711 795062410 /nfs/dbraw/zinc/06/24/10/795062410.db2.gz HUFIYTHUTQHKBZ-MNOVXSKESA-N 1 0 339.396 -1.502 20 0 EAADRO 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C[C@@H]([NH2+]CCOCCO)[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CCO1 ZINC001282916754 788391564 /nfs/dbraw/zinc/39/15/64/788391564.db2.gz VFVRURUVGUKJLC-YPMHNXCESA-N 1 0 342.396 -1.046 20 0 EAADRO COCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CCO1 ZINC001282916830 788391976 /nfs/dbraw/zinc/39/19/76/788391976.db2.gz VTAJKMZVHIMGAP-CHWSQXEVSA-N 1 0 341.412 -1.176 20 0 EAADRO COCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CCO1 ZINC001282916831 788392226 /nfs/dbraw/zinc/39/22/26/788392226.db2.gz VTAJKMZVHIMGAP-OLZOCXBDSA-N 1 0 341.412 -1.176 20 0 EAADRO COCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CCO1 ZINC001282916832 788391360 /nfs/dbraw/zinc/39/13/60/788391360.db2.gz VTAJKMZVHIMGAP-QWHCGFSZSA-N 1 0 341.412 -1.176 20 0 EAADRO COCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CCO1 ZINC001282916833 788392154 /nfs/dbraw/zinc/39/21/54/788392154.db2.gz VTAJKMZVHIMGAP-STQMWFEESA-N 1 0 341.412 -1.176 20 0 EAADRO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)on1 ZINC001282916854 788391850 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ZINC001282947771 788395540 /nfs/dbraw/zinc/39/55/40/788395540.db2.gz HMNAAABESGTUTD-WDEREUQCSA-N 1 0 334.442 -1.230 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282948177 788396526 /nfs/dbraw/zinc/39/65/26/788396526.db2.gz KJUNDMWULNRJLG-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001282948179 788396240 /nfs/dbraw/zinc/39/62/40/788396240.db2.gz KJUNDMWULNRJLG-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001282948197 788395793 /nfs/dbraw/zinc/39/57/93/788395793.db2.gz KUVOMTUAURFHIV-NXEZZACHSA-N 1 0 325.369 -1.699 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001282948198 788396001 /nfs/dbraw/zinc/39/60/01/788396001.db2.gz KUVOMTUAURFHIV-UWVGGRQHSA-N 1 0 325.369 -1.699 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001282948200 788396292 /nfs/dbraw/zinc/39/62/92/788396292.db2.gz KUVOMTUAURFHIV-VHSXEESVSA-N 1 0 325.369 -1.699 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001282948201 788395469 /nfs/dbraw/zinc/39/54/69/788395469.db2.gz KUVOMTUAURFHIV-ZJUUUORDSA-N 1 0 325.369 -1.699 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001282948510 788396667 /nfs/dbraw/zinc/39/66/67/788396667.db2.gz VLXHBADBGWKWSG-UWVGGRQHSA-N 1 0 346.409 -2.774 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001282948512 788395958 /nfs/dbraw/zinc/39/59/58/788395958.db2.gz VLXHBADBGWKWSG-VHSXEESVSA-N 1 0 346.409 -2.774 20 0 EAADRO CCC(=O)NCC(=O)NCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001282948738 788396825 /nfs/dbraw/zinc/39/68/25/788396825.db2.gz NRAWWACLCZWESX-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CCC(=O)NCC(=O)NCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001282948739 788398196 /nfs/dbraw/zinc/39/81/96/788398196.db2.gz NRAWWACLCZWESX-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCCCS1(=O)=O ZINC001282949725 788397901 /nfs/dbraw/zinc/39/79/01/788397901.db2.gz RBAFUTXFWSNUMB-GFCCVEGCSA-N 1 0 346.453 -1.261 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCCCS1(=O)=O ZINC001282949727 788397383 /nfs/dbraw/zinc/39/73/83/788397383.db2.gz RBAFUTXFWSNUMB-LBPRGKRZSA-N 1 0 346.453 -1.261 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001282949731 788398494 /nfs/dbraw/zinc/39/84/94/788398494.db2.gz RDTBVRBEXIIBEG-JTQLQIEISA-N 1 0 334.442 -1.359 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001282949735 785132482 /nfs/dbraw/zinc/13/24/82/785132482.db2.gz RDTBVRBEXIIBEG-SNVBAGLBSA-N 1 0 334.442 -1.359 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001282950797 788398534 /nfs/dbraw/zinc/39/85/34/788398534.db2.gz YCQYKYJDWNUWDU-GFCCVEGCSA-N 1 0 346.453 -1.957 20 0 EAADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001282950798 788398575 /nfs/dbraw/zinc/39/85/75/788398575.db2.gz YCQYKYJDWNUWDU-LBPRGKRZSA-N 1 0 346.453 -1.957 20 0 EAADRO COCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC001282960331 788399287 /nfs/dbraw/zinc/39/92/87/788399287.db2.gz ZDADMIYHOBVENG-AVGNSLFASA-N 1 0 340.424 -1.159 20 0 EAADRO COCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC001282960333 788399117 /nfs/dbraw/zinc/39/91/17/788399117.db2.gz ZDADMIYHOBVENG-RWMBFGLXSA-N 1 0 340.424 -1.159 20 0 EAADRO COCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC001282960334 788399385 /nfs/dbraw/zinc/39/93/85/788399385.db2.gz ZDADMIYHOBVENG-XQQFMLRXSA-N 1 0 340.424 -1.159 20 0 EAADRO COCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC001282960336 788400262 /nfs/dbraw/zinc/40/02/62/788400262.db2.gz ZDADMIYHOBVENG-YNEHKIRRSA-N 1 0 340.424 -1.159 20 0 EAADRO CCNC(=O)CC(=O)NCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001282978686 788401296 /nfs/dbraw/zinc/40/12/96/788401296.db2.gz CMPDOHVHWWOBHT-GFCCVEGCSA-N 1 0 328.413 -1.287 20 0 EAADRO CCNC(=O)CC(=O)NCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001282978687 788400992 /nfs/dbraw/zinc/40/09/92/788400992.db2.gz CMPDOHVHWWOBHT-LBPRGKRZSA-N 1 0 328.413 -1.287 20 0 EAADRO Cn1ncc(C(=O)NCCNC(=O)COC2CC[NH+](C)CC2)c1N ZINC001282982115 788400782 /nfs/dbraw/zinc/40/07/82/788400782.db2.gz QSEDOQZWITWHHY-UHFFFAOYSA-N 1 0 338.412 -1.041 20 0 EAADRO CCS(=O)(=O)NCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC001282993398 788403804 /nfs/dbraw/zinc/40/38/04/788403804.db2.gz XJMYTSRNWDAMER-OKILXGFUSA-N 1 0 346.453 -1.419 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001282994253 788403948 /nfs/dbraw/zinc/40/39/48/788403948.db2.gz FZFXEBSTZFZVKK-GHMZBOCLSA-N 1 0 328.369 -1.564 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001282994258 788403268 /nfs/dbraw/zinc/40/32/68/788403268.db2.gz FZFXEBSTZFZVKK-MNOVXSKESA-N 1 0 328.369 -1.564 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001282994259 788403416 /nfs/dbraw/zinc/40/34/16/788403416.db2.gz FZFXEBSTZFZVKK-QWRGUYRKSA-N 1 0 328.369 -1.564 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001282994261 788403863 /nfs/dbraw/zinc/40/38/63/788403863.db2.gz FZFXEBSTZFZVKK-WDEREUQCSA-N 1 0 328.369 -1.564 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CC(N)=O)CC2 ZINC001282996044 788403477 /nfs/dbraw/zinc/40/34/77/788403477.db2.gz JNVVTHPJEDYCJJ-CHWSQXEVSA-N 1 0 343.424 -1.144 20 0 EAADRO COC[C@H](O)C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CC(N)=O)CC2 ZINC001282996045 788403304 /nfs/dbraw/zinc/40/33/04/788403304.db2.gz JNVVTHPJEDYCJJ-OLZOCXBDSA-N 1 0 343.424 -1.144 20 0 EAADRO Cn1cnc(C(=O)NCCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001282997090 788403825 /nfs/dbraw/zinc/40/38/25/788403825.db2.gz GALSKRNJBKFPOM-UHFFFAOYSA-N 1 0 334.384 -1.267 20 0 EAADRO CNC(=O)NCCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001282997879 788403545 /nfs/dbraw/zinc/40/35/45/788403545.db2.gz VQZQKBGHPKMOON-GFCCVEGCSA-N 1 0 343.428 -1.353 20 0 EAADRO CNC(=O)NCCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001282997880 788403658 /nfs/dbraw/zinc/40/36/58/788403658.db2.gz VQZQKBGHPKMOON-LBPRGKRZSA-N 1 0 343.428 -1.353 20 0 EAADRO CCNC(=O)CC(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001283003902 788404686 /nfs/dbraw/zinc/40/46/86/788404686.db2.gz REBOYHWAMVWJLX-GFCCVEGCSA-N 1 0 340.424 -1.015 20 0 EAADRO CCNC(=O)CC(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001283003903 788404857 /nfs/dbraw/zinc/40/48/57/788404857.db2.gz REBOYHWAMVWJLX-LBPRGKRZSA-N 1 0 340.424 -1.015 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C(N)=O)CC2 ZINC001283004142 788404881 /nfs/dbraw/zinc/40/48/81/788404881.db2.gz XAPLLVMOWDATLR-GFCCVEGCSA-N 1 0 340.424 -1.015 20 0 EAADRO CCCNC(=O)C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C(N)=O)CC2 ZINC001283004143 788404942 /nfs/dbraw/zinc/40/49/42/788404942.db2.gz XAPLLVMOWDATLR-LBPRGKRZSA-N 1 0 340.424 -1.015 20 0 EAADRO Cc1nnc(CC(=O)NCCNC(=O)[C@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001283004332 788404955 /nfs/dbraw/zinc/40/49/55/788404955.db2.gz CSJGOIBEWKOJRD-LLVKDONJSA-N 1 0 338.412 -1.144 20 0 EAADRO Cc1nnc(CC(=O)NCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001283004333 788405045 /nfs/dbraw/zinc/40/50/45/788405045.db2.gz CSJGOIBEWKOJRD-NSHDSACASA-N 1 0 338.412 -1.144 20 0 EAADRO C[NH+]1CCC(C(=O)NCCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001283005802 788405221 /nfs/dbraw/zinc/40/52/21/788405221.db2.gz BARQSXGWZSPDMU-LLVKDONJSA-N 1 0 339.396 -1.451 20 0 EAADRO C[NH+]1CCC(C(=O)NCCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001283005804 788405284 /nfs/dbraw/zinc/40/52/84/788405284.db2.gz BARQSXGWZSPDMU-NSHDSACASA-N 1 0 339.396 -1.451 20 0 EAADRO CC(C)[C@H](C(=O)NCCNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH+](C)C ZINC001283006213 788404815 /nfs/dbraw/zinc/40/48/15/788404815.db2.gz HRPMBFOCVMFVBN-CMPLNLGQSA-N 1 0 341.412 -1.207 20 0 EAADRO CC(C)[C@H](C(=O)NCCNC(=O)CC[C@H]1NC(=O)NC1=O)[NH+](C)C ZINC001283006215 788404544 /nfs/dbraw/zinc/40/45/44/788404544.db2.gz HRPMBFOCVMFVBN-ZYHUDNBSSA-N 1 0 341.412 -1.207 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001283006781 788405236 /nfs/dbraw/zinc/40/52/36/788405236.db2.gz UJXANKBGWRFPAU-MNOVXSKESA-N 1 0 339.396 -1.309 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001283006782 788404427 /nfs/dbraw/zinc/40/44/27/788404427.db2.gz UJXANKBGWRFPAU-QWRGUYRKSA-N 1 0 339.396 -1.309 20 0 EAADRO C[N@H+](CC(=O)NCCNC(=O)c1nccnc1C(N)=O)C1CCC1 ZINC001283006842 788404789 /nfs/dbraw/zinc/40/47/89/788404789.db2.gz TVTPHRJREJLECF-UHFFFAOYSA-N 1 0 334.380 -1.094 20 0 EAADRO CC(C)[C@@H](C(=O)NCCNC(=O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001283007097 788405323 /nfs/dbraw/zinc/40/53/23/788405323.db2.gz YFZFOSCLFNOWPW-AWEZNQCLSA-N 1 0 326.397 -1.046 20 0 EAADRO CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001283010542 788405976 /nfs/dbraw/zinc/40/59/76/788405976.db2.gz AXJRPNGCHWDCHF-XYPYZODXSA-N 1 0 325.369 -1.841 20 0 EAADRO COCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001283011016 788406431 /nfs/dbraw/zinc/40/64/31/788406431.db2.gz KFAMLPBOBJCAMX-IJLUTSLNSA-N 1 0 327.381 -1.373 20 0 EAADRO COCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001283011117 788405971 /nfs/dbraw/zinc/40/59/71/788405971.db2.gz KFAMLPBOBJCAMX-SRVKXCTJSA-N 1 0 327.381 -1.373 20 0 EAADRO COCCn1cc(C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001283012140 788406491 /nfs/dbraw/zinc/40/64/91/788406491.db2.gz BEJHEPZRDFMMIY-UHFFFAOYSA-N 1 0 336.396 -1.134 20 0 EAADRO Cn1cnn(CC(=O)NCCNC(=O)CC2CC[NH+](C)CC2)c1=O ZINC001283012250 788406644 /nfs/dbraw/zinc/40/66/44/788406644.db2.gz CHLIAKWUULIFNB-UHFFFAOYSA-N 1 0 338.412 -1.454 20 0 EAADRO C[NH+]1CCC(CC(=O)NCCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001283014602 788406500 /nfs/dbraw/zinc/40/65/00/788406500.db2.gz UDRIOAJWHPHFHQ-UHFFFAOYSA-N 1 0 339.396 -1.498 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)CO[C@H]1CCOC1 ZINC001283015069 788406171 /nfs/dbraw/zinc/40/61/71/788406171.db2.gz FSORSANMOBZGAT-KBPBESRZSA-N 1 0 343.424 -1.007 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)CO[C@H]1CCOC1 ZINC001283015070 788405769 /nfs/dbraw/zinc/40/57/69/788405769.db2.gz FSORSANMOBZGAT-KGLIPLIRSA-N 1 0 343.424 -1.007 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)CO[C@@H]1CCOC1 ZINC001283015071 788405869 /nfs/dbraw/zinc/40/58/69/788405869.db2.gz FSORSANMOBZGAT-UONOGXRCSA-N 1 0 343.424 -1.007 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)CO[C@@H]1CCOC1 ZINC001283015072 788406252 /nfs/dbraw/zinc/40/62/52/788406252.db2.gz FSORSANMOBZGAT-ZIAGYGMSSA-N 1 0 343.424 -1.007 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283015208 788405882 /nfs/dbraw/zinc/40/58/82/788405882.db2.gz JJOTWHSZWBBWTK-LLVKDONJSA-N 1 0 334.442 -1.500 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283015209 788406047 /nfs/dbraw/zinc/40/60/47/788406047.db2.gz JJOTWHSZWBBWTK-NSHDSACASA-N 1 0 334.442 -1.500 20 0 EAADRO CNS(=O)(=O)CCC(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001283015990 788406066 /nfs/dbraw/zinc/40/60/66/788406066.db2.gz QCLWJSUUBYHKAH-UHFFFAOYSA-N 1 0 332.426 -1.746 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN(C)S(C)(=O)=O ZINC001283016319 788405796 /nfs/dbraw/zinc/40/57/96/788405796.db2.gz UPPOJIHXWVSDPW-GFCCVEGCSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN(C)S(C)(=O)=O ZINC001283016321 788406002 /nfs/dbraw/zinc/40/60/02/788406002.db2.gz UPPOJIHXWVSDPW-LBPRGKRZSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001283016987 788407804 /nfs/dbraw/zinc/40/78/04/788407804.db2.gz YCJCKDQIVHYVBH-NEPJUHHUSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001283016988 788407893 /nfs/dbraw/zinc/40/78/93/788407893.db2.gz YCJCKDQIVHYVBH-NWDGAFQWSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001283016989 788407864 /nfs/dbraw/zinc/40/78/64/788407864.db2.gz YCJCKDQIVHYVBH-RYUDHWBXSA-N 1 0 346.453 -1.217 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001283016990 788407335 /nfs/dbraw/zinc/40/73/35/788407335.db2.gz YCJCKDQIVHYVBH-VXGBXAGGSA-N 1 0 346.453 -1.217 20 0 EAADRO O=C(CCC[NH+]1CCCC1)NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001283018638 788407798 /nfs/dbraw/zinc/40/77/98/788407798.db2.gz PFBNMJZLDMLCSY-NSHDSACASA-N 1 0 339.396 -1.307 20 0 EAADRO CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+](C)C ZINC001283019031 788407360 /nfs/dbraw/zinc/40/73/60/788407360.db2.gz VYCJNVKIGUFVMI-GXSJLCMTSA-N 1 0 327.385 -1.597 20 0 EAADRO CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+](C)C ZINC001283019032 788407778 /nfs/dbraw/zinc/40/77/78/788407778.db2.gz VYCJNVKIGUFVMI-ONGXEEELSA-N 1 0 327.385 -1.597 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283019180 788407452 /nfs/dbraw/zinc/40/74/52/788407452.db2.gz GUBFVJSPBJXYBJ-JTQLQIEISA-N 1 0 335.430 -2.434 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283019181 788407647 /nfs/dbraw/zinc/40/76/47/788407647.db2.gz GUBFVJSPBJXYBJ-SNVBAGLBSA-N 1 0 335.430 -2.434 20 0 EAADRO O=C(NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc2c[nH+]cn2c1 ZINC001283019237 788407731 /nfs/dbraw/zinc/40/77/31/788407731.db2.gz ZAOMIZNFIUOZLN-NSHDSACASA-N 1 0 344.331 -1.222 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283019581 788407559 /nfs/dbraw/zinc/40/75/59/788407559.db2.gz NGMLHSDHUNYHBR-NSHDSACASA-N 1 0 349.457 -1.901 20 0 EAADRO CN(C)S(=O)(=O)NCC(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001283019583 788407686 /nfs/dbraw/zinc/40/76/86/788407686.db2.gz NOPYTCUJCVGUMM-UHFFFAOYSA-N 1 0 347.441 -2.289 20 0 EAADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283022970 788409155 /nfs/dbraw/zinc/40/91/55/788409155.db2.gz FLUJDRIBLWIZAI-NEPJUHHUSA-N 1 0 348.469 -1.113 20 0 EAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001283023203 788409198 /nfs/dbraw/zinc/40/91/98/788409198.db2.gz LCRYRZWTOMYXNI-GMTAPVOTSA-N 1 0 332.426 -1.701 20 0 EAADRO Cn1cc(C(=O)NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(=O)[nH]c1=O ZINC001283023789 788409575 /nfs/dbraw/zinc/40/95/75/788409575.db2.gz CACJQOHEFQKCEI-LLVKDONJSA-N 1 0 349.391 -1.326 20 0 EAADRO Cn1cc(C(=O)NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)c(=O)[nH]c1=O ZINC001283023791 788408839 /nfs/dbraw/zinc/40/88/39/788408839.db2.gz CACJQOHEFQKCEI-NSHDSACASA-N 1 0 349.391 -1.326 20 0 EAADRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCNC(=O)c1ccn(C)n1 ZINC001283024696 788409538 /nfs/dbraw/zinc/40/95/38/788409538.db2.gz FKSKOLLZRADMQX-ZDUSSCGKSA-N 1 0 347.379 -1.263 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001283025365 788409035 /nfs/dbraw/zinc/40/90/35/788409035.db2.gz PMEATYUYZXRHKQ-GFCCVEGCSA-N 1 0 346.453 -2.099 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001283025366 788409272 /nfs/dbraw/zinc/40/92/72/788409272.db2.gz PMEATYUYZXRHKQ-LBPRGKRZSA-N 1 0 346.453 -2.099 20 0 EAADRO C[NH+](C)CCCC(=O)NCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001283025481 788409558 /nfs/dbraw/zinc/40/95/58/788409558.db2.gz PNZWUCOTXYFSDX-UHFFFAOYSA-N 1 0 348.469 -1.709 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283025730 788409171 /nfs/dbraw/zinc/40/91/71/788409171.db2.gz LWVHRFXXFOGHHL-GFCCVEGCSA-N 1 0 348.469 -1.158 20 0 EAADRO CCN(CC)S(=O)(=O)CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283025732 788409250 /nfs/dbraw/zinc/40/92/50/788409250.db2.gz LWVHRFXXFOGHHL-LBPRGKRZSA-N 1 0 348.469 -1.158 20 0 EAADRO O=C(Cn1ncn2nccc2c1=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283025775 788409259 /nfs/dbraw/zinc/40/92/59/788409259.db2.gz YLZQGQTXKWDWJR-UHFFFAOYSA-N 1 0 347.379 -1.781 20 0 EAADRO Cn1cc(C(=O)NCCNC(=O)C23CCC[NH+]2CCC3)c(=O)[nH]c1=O ZINC001283025885 788409490 /nfs/dbraw/zinc/40/94/90/788409490.db2.gz WLOIKTMSOAVXQI-UHFFFAOYSA-N 1 0 349.391 -1.040 20 0 EAADRO CC(C)[C@@H](C(=O)NCCNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH+](C)C ZINC001283025923 788409236 /nfs/dbraw/zinc/40/92/36/788409236.db2.gz WTUQYCMKGNUEJH-NSHDSACASA-N 1 0 339.396 -1.082 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283025949 788408825 /nfs/dbraw/zinc/40/88/25/788408825.db2.gz NJGCRWAAOOBBIS-LLVKDONJSA-N 1 0 334.442 -1.548 20 0 EAADRO CCS(=O)(=O)N(C)CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283025959 788408596 /nfs/dbraw/zinc/40/85/96/788408596.db2.gz NJGCRWAAOOBBIS-NSHDSACASA-N 1 0 334.442 -1.548 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)Cc2nc3ncccn3n2)C1 ZINC001283026007 788409394 /nfs/dbraw/zinc/40/93/94/788409394.db2.gz OITJZOJHIWMWQS-LLVKDONJSA-N 1 0 331.380 -1.149 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)Cc2nc3ncccn3n2)C1 ZINC001283026008 788409294 /nfs/dbraw/zinc/40/92/94/788409294.db2.gz OITJZOJHIWMWQS-NSHDSACASA-N 1 0 331.380 -1.149 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001283026168 788408907 /nfs/dbraw/zinc/40/89/07/788408907.db2.gz RRWKXDQVDQLHLW-LLVKDONJSA-N 1 0 338.408 -1.044 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001283026169 788408685 /nfs/dbraw/zinc/40/86/85/788408685.db2.gz RRWKXDQVDQLHLW-NSHDSACASA-N 1 0 338.408 -1.044 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001283026364 788408463 /nfs/dbraw/zinc/40/84/63/788408463.db2.gz XRLLSVUKQBFSDH-NEPJUHHUSA-N 1 0 335.412 -1.190 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001283026365 788409429 /nfs/dbraw/zinc/40/94/29/788409429.db2.gz XRLLSVUKQBFSDH-NWDGAFQWSA-N 1 0 335.412 -1.190 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001283026366 788408945 /nfs/dbraw/zinc/40/89/45/788408945.db2.gz XRLLSVUKQBFSDH-RYUDHWBXSA-N 1 0 335.412 -1.190 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001283026367 788408955 /nfs/dbraw/zinc/40/89/55/788408955.db2.gz XRLLSVUKQBFSDH-VXGBXAGGSA-N 1 0 335.412 -1.190 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)CCNC(=O)c2cnccn2)C1 ZINC001283026395 788408784 /nfs/dbraw/zinc/40/87/84/788408784.db2.gz YYRVCPBYBRSXHK-GFCCVEGCSA-N 1 0 348.407 -1.219 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)CCNC(=O)c2cnccn2)C1 ZINC001283026396 788408893 /nfs/dbraw/zinc/40/88/93/788408893.db2.gz YYRVCPBYBRSXHK-LBPRGKRZSA-N 1 0 348.407 -1.219 20 0 EAADRO CC(C)[C@H](C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC001283026762 788408967 /nfs/dbraw/zinc/40/89/67/788408967.db2.gz DLKLJWQGMGNUAQ-GHMZBOCLSA-N 1 0 334.442 -1.503 20 0 EAADRO CC(C)[C@@H](C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC001283026763 788409343 /nfs/dbraw/zinc/40/93/43/788409343.db2.gz DLKLJWQGMGNUAQ-MNOVXSKESA-N 1 0 334.442 -1.503 20 0 EAADRO CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC001283026764 788408983 /nfs/dbraw/zinc/40/89/83/788408983.db2.gz DLKLJWQGMGNUAQ-QWRGUYRKSA-N 1 0 334.442 -1.503 20 0 EAADRO CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH+](C)C ZINC001283026765 788409450 /nfs/dbraw/zinc/40/94/50/788409450.db2.gz DLKLJWQGMGNUAQ-WDEREUQCSA-N 1 0 334.442 -1.503 20 0 EAADRO C[C@H](CC(N)=O)C(=O)NCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001283026799 788408868 /nfs/dbraw/zinc/40/88/68/788408868.db2.gz IEFRSYGDBODPBS-NEPJUHHUSA-N 1 0 328.413 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ZINC001283692595 788476280 /nfs/dbraw/zinc/47/62/80/788476280.db2.gz RJFPFPVWLIBCSV-WCBMZHEXSA-N 1 0 338.364 -1.719 20 0 EAADRO C[C@@H](CN(C)C(=O)C1CC(=O)NC(=O)C1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283692597 788476165 /nfs/dbraw/zinc/47/61/65/788476165.db2.gz RJFPFPVWLIBCSV-WPRPVWTQSA-N 1 0 338.364 -1.719 20 0 EAADRO C[C@H](CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]CCn1cncn1 ZINC001283692598 788476991 /nfs/dbraw/zinc/47/69/91/788476991.db2.gz RVZDOIDUXRWCTO-GFCCVEGCSA-N 1 0 349.395 -1.345 20 0 EAADRO C[C@@H](CN(C)C(=O)CCn1cc[nH]c(=O)c1=O)[NH2+]CCn1cncn1 ZINC001283692602 788475843 /nfs/dbraw/zinc/47/58/43/788475843.db2.gz RVZDOIDUXRWCTO-LBPRGKRZSA-N 1 0 349.395 -1.345 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C(=O)NCC1CC1 ZINC001283693683 788476512 /nfs/dbraw/zinc/47/65/12/788476512.db2.gz PIFNUGOIPWPFTG-SECBINFHSA-N 1 0 327.385 -1.595 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(=O)NCC1CC1 ZINC001283693684 788476958 /nfs/dbraw/zinc/47/69/58/788476958.db2.gz PIFNUGOIPWPFTG-VIFPVBQESA-N 1 0 327.385 -1.595 20 0 EAADRO C[C@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)[NH2+]CCn1cncn1 ZINC001283702566 788477851 /nfs/dbraw/zinc/47/78/51/788477851.db2.gz NHJVUOVIGDIVOK-LLVKDONJSA-N 1 0 337.384 -1.391 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)[NH2+]CCn1cncn1 ZINC001283702567 788478046 /nfs/dbraw/zinc/47/80/46/788478046.db2.gz NHJVUOVIGDIVOK-NSHDSACASA-N 1 0 337.384 -1.391 20 0 EAADRO COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001283703869 788477996 /nfs/dbraw/zinc/47/79/96/788477996.db2.gz UAZOVRJTRCISSA-GHMZBOCLSA-N 1 0 330.385 -1.676 20 0 EAADRO COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001283703872 788478187 /nfs/dbraw/zinc/47/81/87/788478187.db2.gz UAZOVRJTRCISSA-WDEREUQCSA-N 1 0 330.385 -1.676 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001283704626 788478347 /nfs/dbraw/zinc/47/83/47/788478347.db2.gz OIOMOLCFTSMTSA-LLVKDONJSA-N 1 0 348.469 -1.112 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@H](C)[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001283704627 788477302 /nfs/dbraw/zinc/47/73/02/788477302.db2.gz OIOMOLCFTSMTSA-NSHDSACASA-N 1 0 348.469 -1.112 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001283706002 788477603 /nfs/dbraw/zinc/47/76/03/788477603.db2.gz XXHBCIQSSVNHGI-MNOVXSKESA-N 1 0 334.442 -1.359 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001283706004 788478427 /nfs/dbraw/zinc/47/84/27/788478427.db2.gz XXHBCIQSSVNHGI-QWRGUYRKSA-N 1 0 334.442 -1.359 20 0 EAADRO C[C@H](CN(C)C(=O)CS(=O)(=O)N(C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283706493 788477341 /nfs/dbraw/zinc/47/73/41/788477341.db2.gz WVIUNUJFMOPPEQ-NXEZZACHSA-N 1 0 348.425 -1.881 20 0 EAADRO C[C@@H](CN(C)C(=O)CS(=O)(=O)N(C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283706494 788477689 /nfs/dbraw/zinc/47/76/89/788477689.db2.gz WVIUNUJFMOPPEQ-UWVGGRQHSA-N 1 0 348.425 -1.881 20 0 EAADRO C[C@@H](CN(C)C(=O)CS(=O)(=O)N(C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283706495 788477524 /nfs/dbraw/zinc/47/75/24/788477524.db2.gz WVIUNUJFMOPPEQ-VHSXEESVSA-N 1 0 348.425 -1.881 20 0 EAADRO C[C@H](CN(C)C(=O)CS(=O)(=O)N(C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283706496 788478413 /nfs/dbraw/zinc/47/84/13/788478413.db2.gz WVIUNUJFMOPPEQ-ZJUUUORDSA-N 1 0 348.425 -1.881 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001283712474 788477918 /nfs/dbraw/zinc/47/79/18/788477918.db2.gz CAOQTUUSMOVACA-LLVKDONJSA-N 1 0 341.412 -1.159 20 0 EAADRO CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001283712489 788478437 /nfs/dbraw/zinc/47/84/37/788478437.db2.gz CAOQTUUSMOVACA-NSHDSACASA-N 1 0 341.412 -1.159 20 0 EAADRO C[C@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]CCN1CCCC1=O ZINC001283713288 788478196 /nfs/dbraw/zinc/47/81/96/788478196.db2.gz ISXLSXIHSXHRQC-LLVKDONJSA-N 1 0 339.396 -1.403 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]CCN1CCCC1=O ZINC001283713290 788477819 /nfs/dbraw/zinc/47/78/19/788477819.db2.gz ISXLSXIHSXHRQC-NSHDSACASA-N 1 0 339.396 -1.403 20 0 EAADRO C[C@H](CN(C)C(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]CCn1cncn1 ZINC001283713659 788478536 /nfs/dbraw/zinc/47/85/36/788478536.db2.gz LNKCQIJIDQDONF-GHMZBOCLSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]CCn1cncn1 ZINC001283713660 788477291 /nfs/dbraw/zinc/47/72/91/788477291.db2.gz LNKCQIJIDQDONF-MNOVXSKESA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@@H](CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]CCn1cncn1 ZINC001283713662 788478406 /nfs/dbraw/zinc/47/84/06/788478406.db2.gz LNKCQIJIDQDONF-QWRGUYRKSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@@H](CN(C)C(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]CCn1cncn1 ZINC001283713663 788477982 /nfs/dbraw/zinc/47/79/82/788477982.db2.gz LNKCQIJIDQDONF-WDEREUQCSA-N 1 0 337.384 -1.297 20 0 EAADRO C[C@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]CCc1cnn(C)c1 ZINC001283714370 788477649 /nfs/dbraw/zinc/47/76/49/788477649.db2.gz OXAKGJOCXDLITN-LLVKDONJSA-N 1 0 336.396 -1.049 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]CCc1cnn(C)c1 ZINC001283714378 788478053 /nfs/dbraw/zinc/47/80/53/788478053.db2.gz OXAKGJOCXDLITN-NSHDSACASA-N 1 0 336.396 -1.049 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283714917 788477741 /nfs/dbraw/zinc/47/77/41/788477741.db2.gz RZYCJDJVBIPSDR-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283714920 788478421 /nfs/dbraw/zinc/47/84/21/788478421.db2.gz RZYCJDJVBIPSDR-MNOVXSKESA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283714923 788477828 /nfs/dbraw/zinc/47/78/28/788477828.db2.gz RZYCJDJVBIPSDR-QWRGUYRKSA-N 1 0 341.412 -1.111 20 0 EAADRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283714927 788478099 /nfs/dbraw/zinc/47/80/99/788478099.db2.gz RZYCJDJVBIPSDR-WDEREUQCSA-N 1 0 341.412 -1.111 20 0 EAADRO C[C@@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NCC1CC1 ZINC001283715594 788477767 /nfs/dbraw/zinc/47/77/67/788477767.db2.gz XOXVKCLZKISQQJ-JTQLQIEISA-N 1 0 339.396 -1.499 20 0 EAADRO C[C@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NCC1CC1 ZINC001283715595 788477453 /nfs/dbraw/zinc/47/74/53/788477453.db2.gz XOXVKCLZKISQQJ-SNVBAGLBSA-N 1 0 339.396 -1.499 20 0 EAADRO CCn1nncc1C[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283715604 788477898 /nfs/dbraw/zinc/47/78/98/788477898.db2.gz XUTHQYUBCSTYOC-JTQLQIEISA-N 1 0 337.384 -1.214 20 0 EAADRO CCn1nncc1C[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283715605 788478468 /nfs/dbraw/zinc/47/84/68/788478468.db2.gz XUTHQYUBCSTYOC-SNVBAGLBSA-N 1 0 337.384 -1.214 20 0 EAADRO C[C@H](CN(C)C(=O)CCCN1C(=O)CNC1=O)[NH2+]CC(=O)N(C)C ZINC001283715836 788478456 /nfs/dbraw/zinc/47/84/56/788478456.db2.gz ZXVAJMFFDIECMK-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@@H](CN(C)C(=O)CCCN1C(=O)CNC1=O)[NH2+]CC(=O)N(C)C ZINC001283715838 788478480 /nfs/dbraw/zinc/47/84/80/788478480.db2.gz ZXVAJMFFDIECMK-NSHDSACASA-N 1 0 341.412 -1.157 20 0 EAADRO CCN(CCCNC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)CC[NH+](C)C ZINC001283721473 788479656 /nfs/dbraw/zinc/47/96/56/788479656.db2.gz HCDAPZITQWHHQL-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO CCN(CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)CC[NH+](C)C ZINC001283721476 788479618 /nfs/dbraw/zinc/47/96/18/788479618.db2.gz HCDAPZITQWHHQL-LBPRGKRZSA-N 1 0 348.469 -1.015 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001283725458 788479962 /nfs/dbraw/zinc/47/99/62/788479962.db2.gz ZHRFATKHJXOLDI-DGCLKSJQSA-N 1 0 348.469 -1.017 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001283725459 788479205 /nfs/dbraw/zinc/47/92/05/788479205.db2.gz ZHRFATKHJXOLDI-WCQYABFASA-N 1 0 348.469 -1.017 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O)C1=COCCO1 ZINC001283731649 788479820 /nfs/dbraw/zinc/47/98/20/788479820.db2.gz AHTVTCQMOVFNRV-JTQLQIEISA-N 1 0 342.352 -2.117 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O)C1=COCCO1 ZINC001283731651 788479723 /nfs/dbraw/zinc/47/97/23/788479723.db2.gz AHTVTCQMOVFNRV-SNVBAGLBSA-N 1 0 342.352 -2.117 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001283732112 788479623 /nfs/dbraw/zinc/47/96/23/788479623.db2.gz CYXNBLRGWDNHJG-KBPBESRZSA-N 1 0 335.364 -1.742 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001283732113 788479499 /nfs/dbraw/zinc/47/94/99/788479499.db2.gz CYXNBLRGWDNHJG-KGLIPLIRSA-N 1 0 335.364 -1.742 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001283732114 788479418 /nfs/dbraw/zinc/47/94/18/788479418.db2.gz CYXNBLRGWDNHJG-UONOGXRCSA-N 1 0 335.364 -1.742 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1cc[n+]([O-])cc1 ZINC001283732115 788479097 /nfs/dbraw/zinc/47/90/97/788479097.db2.gz CYXNBLRGWDNHJG-ZIAGYGMSSA-N 1 0 335.364 -1.742 20 0 EAADRO O=C(CN1CCCC1=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283732352 788479129 /nfs/dbraw/zinc/47/91/29/788479129.db2.gz DSFXTMLJOSOKAD-JTQLQIEISA-N 1 0 341.368 -2.773 20 0 EAADRO O=C(CN1CCCC1=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283732353 788479629 /nfs/dbraw/zinc/47/96/29/788479629.db2.gz DSFXTMLJOSOKAD-SNVBAGLBSA-N 1 0 341.368 -2.773 20 0 EAADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)n1cccn1 ZINC001283733286 788479083 /nfs/dbraw/zinc/47/90/83/788479083.db2.gz GCANWUUMJWFEHY-NEPJUHHUSA-N 1 0 337.380 -1.340 20 0 EAADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)n1cccn1 ZINC001283733287 788479699 /nfs/dbraw/zinc/47/96/99/788479699.db2.gz GCANWUUMJWFEHY-NWDGAFQWSA-N 1 0 337.380 -1.340 20 0 EAADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)n1cccn1 ZINC001283733288 788479032 /nfs/dbraw/zinc/47/90/32/788479032.db2.gz GCANWUUMJWFEHY-RYUDHWBXSA-N 1 0 337.380 -1.340 20 0 EAADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)n1cccn1 ZINC001283733289 788479577 /nfs/dbraw/zinc/47/95/77/788479577.db2.gz GCANWUUMJWFEHY-VXGBXAGGSA-N 1 0 337.380 -1.340 20 0 EAADRO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001283733690 788479433 /nfs/dbraw/zinc/47/94/33/788479433.db2.gz JIRHDHGTNLNOBZ-NXEZZACHSA-N 1 0 330.385 -1.582 20 0 EAADRO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001283733691 788479188 /nfs/dbraw/zinc/47/91/88/788479188.db2.gz JIRHDHGTNLNOBZ-UWVGGRQHSA-N 1 0 330.385 -1.582 20 0 EAADRO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001283733692 788479711 /nfs/dbraw/zinc/47/97/11/788479711.db2.gz JIRHDHGTNLNOBZ-VHSXEESVSA-N 1 0 330.385 -1.582 20 0 EAADRO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001283733693 788479690 /nfs/dbraw/zinc/47/96/90/788479690.db2.gz JIRHDHGTNLNOBZ-ZJUUUORDSA-N 1 0 330.385 -1.582 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CCCN2C(=O)CNC2=O)[nH]n1 ZINC001283733825 788479671 /nfs/dbraw/zinc/47/96/71/788479671.db2.gz KKXSZENQGXCSEI-JTQLQIEISA-N 1 0 338.368 -1.660 20 0 EAADRO Cc1cc(C(=O)NC[C@H](CO)[NH2+]CCCN2C(=O)CNC2=O)[nH]n1 ZINC001283733826 788479848 /nfs/dbraw/zinc/47/98/48/788479848.db2.gz KKXSZENQGXCSEI-SNVBAGLBSA-N 1 0 338.368 -1.660 20 0 EAADRO O=C(CN1CCCC1=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O 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327.381 -1.229 20 0 EAADRO O=C(C[C@@H]1CCCO1)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001283735121 788479609 /nfs/dbraw/zinc/47/96/09/788479609.db2.gz QYHGZPYOXGXJJF-RYUDHWBXSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(C[C@H]1CCCO1)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001283735123 788479067 /nfs/dbraw/zinc/47/90/67/788479067.db2.gz QYHGZPYOXGXJJF-VXGBXAGGSA-N 1 0 327.381 -1.229 20 0 EAADRO Cc1cnc(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)cn1 ZINC001283735589 788480016 /nfs/dbraw/zinc/48/00/16/788480016.db2.gz ZUTPSARSEHKBRI-LLVKDONJSA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1cnc(C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)cn1 ZINC001283735609 788481467 /nfs/dbraw/zinc/48/14/67/788481467.db2.gz ZUTPSARSEHKBRI-NSHDSACASA-N 1 0 335.364 -1.386 20 0 EAADRO Cc1ncsc1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283735902 785272718 /nfs/dbraw/zinc/27/27/18/785272718.db2.gz UMVDSEHHJCNKCU-SECBINFHSA-N 1 0 336.439 -1.319 20 0 EAADRO Cc1ncsc1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283735903 785272865 /nfs/dbraw/zinc/27/28/65/785272865.db2.gz UMVDSEHHJCNKCU-VIFPVBQESA-N 1 0 336.439 -1.319 20 0 EAADRO CCc1cc(C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)[nH]n1 ZINC001283736834 788481052 /nfs/dbraw/zinc/48/10/52/788481052.db2.gz XOFQWZRYKTXPEA-JTQLQIEISA-N 1 0 338.368 -1.796 20 0 EAADRO CCc1cc(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)[nH]n1 ZINC001283736835 788481201 /nfs/dbraw/zinc/48/12/01/788481201.db2.gz XOFQWZRYKTXPEA-SNVBAGLBSA-N 1 0 338.368 -1.796 20 0 EAADRO Cc1noc(C)c1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283737183 788481014 /nfs/dbraw/zinc/48/10/14/788481014.db2.gz YNTGTBHUFUAGFU-JTQLQIEISA-N 1 0 339.352 -1.476 20 0 EAADRO Cc1noc(C)c1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283737185 788480707 /nfs/dbraw/zinc/48/07/07/788480707.db2.gz YNTGTBHUFUAGFU-SNVBAGLBSA-N 1 0 339.352 -1.476 20 0 EAADRO Cc1ncncc1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283737396 788480578 /nfs/dbraw/zinc/48/05/78/788480578.db2.gz ZVWTWSTYPGPIJH-JTQLQIEISA-N 1 0 336.352 -1.983 20 0 EAADRO Cc1ncncc1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283737397 788481107 /nfs/dbraw/zinc/48/11/07/788481107.db2.gz ZVWTWSTYPGPIJH-SNVBAGLBSA-N 1 0 336.352 -1.983 20 0 EAADRO Cc1cncc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)c1 ZINC001283742310 788481435 /nfs/dbraw/zinc/48/14/35/788481435.db2.gz GVAOFNHMSBZPLC-GFCCVEGCSA-N 1 0 330.410 -1.380 20 0 EAADRO Cc1cncc(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)c1 ZINC001283742313 788481290 /nfs/dbraw/zinc/48/12/90/788481290.db2.gz GVAOFNHMSBZPLC-LBPRGKRZSA-N 1 0 330.410 -1.380 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)o1 ZINC001283742478 788480625 /nfs/dbraw/zinc/48/06/25/788480625.db2.gz ILUMFVFNUGBOTH-JTQLQIEISA-N 1 0 334.398 -1.479 20 0 EAADRO Cc1nc(C)c(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)o1 ZINC001283742479 788480777 /nfs/dbraw/zinc/48/07/77/788480777.db2.gz ILUMFVFNUGBOTH-SNVBAGLBSA-N 1 0 334.398 -1.479 20 0 EAADRO Cc1c(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)nnn1C ZINC001283743186 788480752 /nfs/dbraw/zinc/48/07/52/788480752.db2.gz QWLLUGYGEZWTRZ-SECBINFHSA-N 1 0 334.402 -2.647 20 0 EAADRO Cc1c(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)nnn1C ZINC001283743187 788481752 /nfs/dbraw/zinc/48/17/52/788481752.db2.gz QWLLUGYGEZWTRZ-VIFPVBQESA-N 1 0 334.402 -2.647 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001283743206 788481141 /nfs/dbraw/zinc/48/11/41/788481141.db2.gz REZQCKWLCGLUKL-CHWSQXEVSA-N 1 0 345.444 -1.909 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001283743207 788481361 /nfs/dbraw/zinc/48/13/61/788481361.db2.gz REZQCKWLCGLUKL-OLZOCXBDSA-N 1 0 345.444 -1.909 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001283743208 788481262 /nfs/dbraw/zinc/48/12/62/788481262.db2.gz REZQCKWLCGLUKL-QWHCGFSZSA-N 1 0 345.444 -1.909 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001283743209 788480954 /nfs/dbraw/zinc/48/09/54/788480954.db2.gz REZQCKWLCGLUKL-STQMWFEESA-N 1 0 345.444 -1.909 20 0 EAADRO Cc1[nH]nc(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)c1C ZINC001283743586 788481429 /nfs/dbraw/zinc/48/14/29/788481429.db2.gz SJBNREOSPCWFPV-JTQLQIEISA-N 1 0 333.414 -1.744 20 0 EAADRO Cc1[nH]nc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)c1C ZINC001283743588 788480735 /nfs/dbraw/zinc/48/07/35/788480735.db2.gz SJBNREOSPCWFPV-SNVBAGLBSA-N 1 0 333.414 -1.744 20 0 EAADRO NC(=O)CC(=O)NC[C@H](CO)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC001283744381 788480790 /nfs/dbraw/zinc/48/07/90/788480790.db2.gz GIXLLQAJTTZRST-GFCCVEGCSA-N 1 0 337.376 -1.058 20 0 EAADRO NC(=O)CC(=O)NC[C@@H](CO)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC001283744384 788481333 /nfs/dbraw/zinc/48/13/33/788481333.db2.gz GIXLLQAJTTZRST-LBPRGKRZSA-N 1 0 337.376 -1.058 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCOC1 ZINC001283744424 788481079 /nfs/dbraw/zinc/48/10/79/788481079.db2.gz GQEHMINQKYBGMB-NEPJUHHUSA-N 1 0 342.396 -1.578 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCOC1 ZINC001283744426 788480828 /nfs/dbraw/zinc/48/08/28/788480828.db2.gz GQEHMINQKYBGMB-NWDGAFQWSA-N 1 0 342.396 -1.578 20 0 EAADRO Cc1nc(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)co1 ZINC001283744449 788480604 /nfs/dbraw/zinc/48/06/04/788480604.db2.gz LQNKPWUTCNVODH-SECBINFHSA-N 1 0 325.325 -1.785 20 0 EAADRO Cc1nc(C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)co1 ZINC001283744457 788481532 /nfs/dbraw/zinc/48/15/32/788481532.db2.gz LQNKPWUTCNVODH-VIFPVBQESA-N 1 0 325.325 -1.785 20 0 EAADRO Cc1ncoc1C(=O)NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O ZINC001283744591 788481595 /nfs/dbraw/zinc/48/15/95/788481595.db2.gz WLNPWDSOKFJECX-JTQLQIEISA-N 1 0 339.352 -1.395 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@H]1CCCOC1 ZINC001283744593 788480947 /nfs/dbraw/zinc/48/09/47/788480947.db2.gz GQEHMINQKYBGMB-RYUDHWBXSA-N 1 0 342.396 -1.578 20 0 EAADRO Cc1ncoc1C(=O)NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O ZINC001283744595 788481191 /nfs/dbraw/zinc/48/11/91/788481191.db2.gz WLNPWDSOKFJECX-SNVBAGLBSA-N 1 0 339.352 -1.395 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CCCOC1 ZINC001283744596 788481568 /nfs/dbraw/zinc/48/15/68/788481568.db2.gz GQEHMINQKYBGMB-VXGBXAGGSA-N 1 0 342.396 -1.578 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001283744632 788481645 /nfs/dbraw/zinc/48/16/45/788481645.db2.gz MPGHMPJJKPYFBQ-NEPJUHHUSA-N 1 0 349.453 -1.596 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001283744636 788480996 /nfs/dbraw/zinc/48/09/96/788480996.db2.gz MPGHMPJJKPYFBQ-NWDGAFQWSA-N 1 0 349.453 -1.596 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001283744652 788480855 /nfs/dbraw/zinc/48/08/55/788480855.db2.gz MPGHMPJJKPYFBQ-RYUDHWBXSA-N 1 0 349.453 -1.596 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001283744653 788480654 /nfs/dbraw/zinc/48/06/54/788480654.db2.gz MPGHMPJJKPYFBQ-VXGBXAGGSA-N 1 0 349.453 -1.596 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cocn1 ZINC001283744711 788480716 /nfs/dbraw/zinc/48/07/16/788480716.db2.gz HAPMEZJFUZNQBL-JTQLQIEISA-N 1 0 332.320 -1.109 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cocn1 ZINC001283744720 788480724 /nfs/dbraw/zinc/48/07/24/788480724.db2.gz HAPMEZJFUZNQBL-SNVBAGLBSA-N 1 0 332.320 -1.109 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001283744774 788481655 /nfs/dbraw/zinc/48/16/55/788481655.db2.gz NOIHKFOIVFYFPH-JTQLQIEISA-N 1 0 327.389 -1.797 20 0 EAADRO CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001283744804 788481343 /nfs/dbraw/zinc/48/13/43/788481343.db2.gz NOIHKFOIVFYFPH-SNVBAGLBSA-N 1 0 327.389 -1.797 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283744945 788480640 /nfs/dbraw/zinc/48/06/40/788480640.db2.gz OHVWAPBDFWBYJL-NXEZZACHSA-N 1 0 342.352 -2.442 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283744947 788481244 /nfs/dbraw/zinc/48/12/44/788481244.db2.gz OHVWAPBDFWBYJL-UWVGGRQHSA-N 1 0 342.352 -2.442 20 0 EAADRO O=C(C[C@@H]1COC(=O)C1)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283744950 788481772 /nfs/dbraw/zinc/48/17/72/788481772.db2.gz OHVWAPBDFWBYJL-VHSXEESVSA-N 1 0 342.352 -2.442 20 0 EAADRO O=C(C[C@H]1COC(=O)C1)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283744952 788480978 /nfs/dbraw/zinc/48/09/78/788480978.db2.gz OHVWAPBDFWBYJL-ZJUUUORDSA-N 1 0 342.352 -2.442 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCCCO1 ZINC001283745791 788480589 /nfs/dbraw/zinc/48/05/89/788480589.db2.gz SXOZZOXLTVCHBS-NEPJUHHUSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCCO1 ZINC001283745792 788481127 /nfs/dbraw/zinc/48/11/27/788481127.db2.gz SXOZZOXLTVCHBS-NWDGAFQWSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCCCO1 ZINC001283745793 788481025 /nfs/dbraw/zinc/48/10/25/788481025.db2.gz SXOZZOXLTVCHBS-RYUDHWBXSA-N 1 0 327.381 -1.229 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCCO1 ZINC001283745794 788481422 /nfs/dbraw/zinc/48/14/22/788481422.db2.gz SXOZZOXLTVCHBS-VXGBXAGGSA-N 1 0 327.381 -1.229 20 0 EAADRO Cn1nncc1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)NC(C)(C)C ZINC001283746074 788480803 /nfs/dbraw/zinc/48/08/03/788480803.db2.gz VOWFHXOGDSDFMY-JTQLQIEISA-N 1 0 341.416 -1.407 20 0 EAADRO Cn1nncc1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)NC(C)(C)C ZINC001283746081 788481690 /nfs/dbraw/zinc/48/16/90/788481690.db2.gz VOWFHXOGDSDFMY-SNVBAGLBSA-N 1 0 341.416 -1.407 20 0 EAADRO CCn1ccnc1C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283746255 788481733 /nfs/dbraw/zinc/48/17/33/788481733.db2.gz WASLQECMCGHZRI-JTQLQIEISA-N 1 0 338.368 -1.865 20 0 EAADRO CCn1ccnc1C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283746256 788481600 /nfs/dbraw/zinc/48/16/00/788481600.db2.gz WASLQECMCGHZRI-SNVBAGLBSA-N 1 0 338.368 -1.865 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001283746263 788481067 /nfs/dbraw/zinc/48/10/67/788481067.db2.gz WEHYGHRAJFNXBK-NEPJUHHUSA-N 1 0 328.413 -1.504 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001283746264 788481235 /nfs/dbraw/zinc/48/12/35/788481235.db2.gz WEHYGHRAJFNXBK-NWDGAFQWSA-N 1 0 328.413 -1.504 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001283746265 788481511 /nfs/dbraw/zinc/48/15/11/788481511.db2.gz WEHYGHRAJFNXBK-RYUDHWBXSA-N 1 0 328.413 -1.504 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001283746266 788481764 /nfs/dbraw/zinc/48/17/64/788481764.db2.gz WEHYGHRAJFNXBK-VXGBXAGGSA-N 1 0 328.413 -1.504 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O)C1=COCCC1 ZINC001283746669 788480835 /nfs/dbraw/zinc/48/08/35/788480835.db2.gz PBABKBKTHLZJDH-GFCCVEGCSA-N 1 0 340.380 -1.311 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O)C1=COCCC1 ZINC001283746671 788480886 /nfs/dbraw/zinc/48/08/86/788480886.db2.gz PBABKBKTHLZJDH-LBPRGKRZSA-N 1 0 340.380 -1.311 20 0 EAADRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001283746759 788481608 /nfs/dbraw/zinc/48/16/08/788481608.db2.gz ZZYHKKSCHFEQKR-CYBMUJFWSA-N 1 0 342.440 -1.162 20 0 EAADRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001283746760 788481583 /nfs/dbraw/zinc/48/15/83/788481583.db2.gz ZZYHKKSCHFEQKR-ZDUSSCGKSA-N 1 0 342.440 -1.162 20 0 EAADRO NC(=O)CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CCCCCC1 ZINC001283746947 788481633 /nfs/dbraw/zinc/48/16/33/788481633.db2.gz RKBMIWCAXSXORP-GFCCVEGCSA-N 1 0 328.413 -1.233 20 0 EAADRO NC(=O)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CCCCCC1 ZINC001283746948 788480763 /nfs/dbraw/zinc/48/07/63/788480763.db2.gz RKBMIWCAXSXORP-LBPRGKRZSA-N 1 0 328.413 -1.233 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)c1cncc2[nH]cnc21 ZINC001283758864 788483201 /nfs/dbraw/zinc/48/32/01/788483201.db2.gz CPBTZPGUZUSYSC-JTQLQIEISA-N 1 0 330.352 -1.070 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCn1cncn1)c1cncc2[nH]cnc21 ZINC001283758865 788483299 /nfs/dbraw/zinc/48/32/99/788483299.db2.gz CPBTZPGUZUSYSC-SNVBAGLBSA-N 1 0 330.352 -1.070 20 0 EAADRO Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)c2cccn3nnnc23)cn1 ZINC001283759210 788482884 /nfs/dbraw/zinc/48/28/84/788482884.db2.gz GCGBAHIASPFPOP-GFCCVEGCSA-N 1 0 344.379 -1.219 20 0 EAADRO Cn1cc(CC[NH2+][C@H](CO)CNC(=O)c2cccn3nnnc23)cn1 ZINC001283759211 788483074 /nfs/dbraw/zinc/48/30/74/788483074.db2.gz GCGBAHIASPFPOP-LBPRGKRZSA-N 1 0 344.379 -1.219 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)c1cn2c(n1)CCC2 ZINC001283760027 788483258 /nfs/dbraw/zinc/48/32/58/788483258.db2.gz QBRDZIWFHQMPNK-LLVKDONJSA-N 1 0 349.391 -1.341 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)c1cn2c(n1)CCC2 ZINC001283760028 788482449 /nfs/dbraw/zinc/48/24/49/788482449.db2.gz QBRDZIWFHQMPNK-NSHDSACASA-N 1 0 349.391 -1.341 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283760059 788482196 /nfs/dbraw/zinc/48/21/96/788482196.db2.gz QRVNDXXNQLVILF-CMPLNLGQSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283760060 788483060 /nfs/dbraw/zinc/48/30/60/788483060.db2.gz QRVNDXXNQLVILF-JQWIXIFHSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283760061 788482965 /nfs/dbraw/zinc/48/29/65/788482965.db2.gz QRVNDXXNQLVILF-PWSUYJOCSA-N 1 0 335.364 -1.421 20 0 EAADRO Cc1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283760062 788483244 /nfs/dbraw/zinc/48/32/44/788483244.db2.gz QRVNDXXNQLVILF-ZYHUDNBSSA-N 1 0 335.364 -1.421 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001283762161 788482285 /nfs/dbraw/zinc/48/22/85/788482285.db2.gz ARVGSTDMKZHICL-GHMZBOCLSA-N 1 0 340.380 -2.320 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001283762172 788482933 /nfs/dbraw/zinc/48/29/33/788482933.db2.gz ARVGSTDMKZHICL-MNOVXSKESA-N 1 0 340.380 -2.320 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001283762174 788482711 /nfs/dbraw/zinc/48/27/11/788482711.db2.gz ARVGSTDMKZHICL-QWRGUYRKSA-N 1 0 340.380 -2.320 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)CC1=O ZINC001283762176 788482403 /nfs/dbraw/zinc/48/24/03/788482403.db2.gz ARVGSTDMKZHICL-WDEREUQCSA-N 1 0 340.380 -2.320 20 0 EAADRO Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001283763429 788482465 /nfs/dbraw/zinc/48/24/65/788482465.db2.gz HQGOWBRXXHSZSM-NEPJUHHUSA-N 1 0 339.396 -1.144 20 0 EAADRO Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001283763432 788482184 /nfs/dbraw/zinc/48/21/84/788482184.db2.gz HQGOWBRXXHSZSM-NWDGAFQWSA-N 1 0 339.396 -1.144 20 0 EAADRO Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001283763435 788482531 /nfs/dbraw/zinc/48/25/31/788482531.db2.gz HQGOWBRXXHSZSM-RYUDHWBXSA-N 1 0 339.396 -1.144 20 0 EAADRO Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001283763438 788482510 /nfs/dbraw/zinc/48/25/10/788482510.db2.gz HQGOWBRXXHSZSM-VXGBXAGGSA-N 1 0 339.396 -1.144 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001283763440 788483210 /nfs/dbraw/zinc/48/32/10/788483210.db2.gz HQRSYKLQDCZAMB-UWVGGRQHSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001283763447 788482827 /nfs/dbraw/zinc/48/28/27/788482827.db2.gz HQRSYKLQDCZAMB-ZJUUUORDSA-N 1 0 341.368 -2.726 20 0 EAADRO Cc1c(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cnn1C ZINC001283764296 788484351 /nfs/dbraw/zinc/48/43/51/788484351.db2.gz LDGMTEMZMIFXPB-NEPJUHHUSA-N 1 0 337.380 -1.857 20 0 EAADRO Cc1c(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cnn1C ZINC001283764297 788484186 /nfs/dbraw/zinc/48/41/86/788484186.db2.gz LDGMTEMZMIFXPB-NWDGAFQWSA-N 1 0 337.380 -1.857 20 0 EAADRO Cc1c(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cnn1C ZINC001283764298 788483964 /nfs/dbraw/zinc/48/39/64/788483964.db2.gz LDGMTEMZMIFXPB-RYUDHWBXSA-N 1 0 337.380 -1.857 20 0 EAADRO Cc1c(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cnn1C ZINC001283764299 788484989 /nfs/dbraw/zinc/48/49/89/788484989.db2.gz LDGMTEMZMIFXPB-VXGBXAGGSA-N 1 0 337.380 -1.857 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001283764797 788484099 /nfs/dbraw/zinc/48/40/99/788484099.db2.gz NZHBQYXITKEHIN-JTQLQIEISA-N 1 0 345.425 -1.941 20 0 EAADRO CS(=O)(=O)NCC[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001283764800 788484446 /nfs/dbraw/zinc/48/44/46/788484446.db2.gz NZHBQYXITKEHIN-SNVBAGLBSA-N 1 0 345.425 -1.941 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)C1(F)CCOCC1 ZINC001283765027 788484424 /nfs/dbraw/zinc/48/44/24/788484424.db2.gz QGVARGCPYUHEFP-NXEZZACHSA-N 1 0 331.344 -1.623 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)C1(F)CCOCC1 ZINC001283765114 788484167 /nfs/dbraw/zinc/48/41/67/788484167.db2.gz QGVARGCPYUHEFP-UWVGGRQHSA-N 1 0 331.344 -1.623 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)C1(F)CCOCC1 ZINC001283765115 788484481 /nfs/dbraw/zinc/48/44/81/788484481.db2.gz QGVARGCPYUHEFP-VHSXEESVSA-N 1 0 331.344 -1.623 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)C1(F)CCOCC1 ZINC001283765116 788483953 /nfs/dbraw/zinc/48/39/53/788483953.db2.gz QGVARGCPYUHEFP-ZJUUUORDSA-N 1 0 331.344 -1.623 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001283765293 788484121 /nfs/dbraw/zinc/48/41/21/788484121.db2.gz RJODDUQIPSFRQA-NXEZZACHSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001283765294 788484933 /nfs/dbraw/zinc/48/49/33/788484933.db2.gz RJODDUQIPSFRQA-UWVGGRQHSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001283765295 788485060 /nfs/dbraw/zinc/48/50/60/788485060.db2.gz RJODDUQIPSFRQA-VHSXEESVSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1ccnc2ccnn21 ZINC001283765296 788484329 /nfs/dbraw/zinc/48/43/29/788484329.db2.gz RJODDUQIPSFRQA-ZJUUUORDSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](CO)[NH2+]Cc1cccc(F)c1 ZINC001283765334 788484304 /nfs/dbraw/zinc/48/43/04/788484304.db2.gz ROXLFESQNZXLSA-NEPJUHHUSA-N 1 0 338.339 -1.010 20 0 EAADRO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](CO)[NH2+]Cc1cccc(F)c1 ZINC001283765335 788484614 /nfs/dbraw/zinc/48/46/14/788484614.db2.gz ROXLFESQNZXLSA-RYUDHWBXSA-N 1 0 338.339 -1.010 20 0 EAADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cncn1C)N1C(=O)CCC1=O ZINC001283765656 788484259 /nfs/dbraw/zinc/48/42/59/788484259.db2.gz VADZUZUSQQAEQO-GHMZBOCLSA-N 1 0 337.380 -1.476 20 0 EAADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C)N1C(=O)CCC1=O ZINC001283765657 788485149 /nfs/dbraw/zinc/48/51/49/788485149.db2.gz VADZUZUSQQAEQO-MNOVXSKESA-N 1 0 337.380 -1.476 20 0 EAADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C)N1C(=O)CCC1=O ZINC001283765658 788484743 /nfs/dbraw/zinc/48/47/43/788484743.db2.gz VADZUZUSQQAEQO-QWRGUYRKSA-N 1 0 337.380 -1.476 20 0 EAADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cncn1C)N1C(=O)CCC1=O ZINC001283765659 788484139 /nfs/dbraw/zinc/48/41/39/788484139.db2.gz VADZUZUSQQAEQO-WDEREUQCSA-N 1 0 337.380 -1.476 20 0 EAADRO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001283765668 788484565 /nfs/dbraw/zinc/48/45/65/788484565.db2.gz VLKIJXDYWQJCHR-NXEZZACHSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001283765669 788484524 /nfs/dbraw/zinc/48/45/24/788484524.db2.gz VLKIJXDYWQJCHR-UWVGGRQHSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001283765670 788483998 /nfs/dbraw/zinc/48/39/98/788483998.db2.gz VLKIJXDYWQJCHR-VHSXEESVSA-N 1 0 341.368 -2.917 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)CC1=O ZINC001283765671 788484130 /nfs/dbraw/zinc/48/41/30/788484130.db2.gz VLKIJXDYWQJCHR-ZJUUUORDSA-N 1 0 341.368 -2.917 20 0 EAADRO O=C(CCc1cccnc1)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283769529 788484468 /nfs/dbraw/zinc/48/44/68/788484468.db2.gz FGAUDKMFIJOPAG-CHWSQXEVSA-N 1 0 334.376 -1.114 20 0 EAADRO O=C(CCc1cccnc1)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283769530 788484695 /nfs/dbraw/zinc/48/46/95/788484695.db2.gz FGAUDKMFIJOPAG-OLZOCXBDSA-N 1 0 334.376 -1.114 20 0 EAADRO O=C(CCc1cccnc1)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283769531 788483793 /nfs/dbraw/zinc/48/37/93/788483793.db2.gz FGAUDKMFIJOPAG-QWHCGFSZSA-N 1 0 334.376 -1.114 20 0 EAADRO O=C(CCc1cccnc1)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283769532 788483901 /nfs/dbraw/zinc/48/39/01/788483901.db2.gz FGAUDKMFIJOPAG-STQMWFEESA-N 1 0 334.376 -1.114 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001283770282 788484713 /nfs/dbraw/zinc/48/47/13/788484713.db2.gz APXWPVTWKRKWJS-NEPJUHHUSA-N 1 0 328.413 -1.649 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001283770284 788484767 /nfs/dbraw/zinc/48/47/67/788484767.db2.gz APXWPVTWKRKWJS-NWDGAFQWSA-N 1 0 328.413 -1.649 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001283770285 788485043 /nfs/dbraw/zinc/48/50/43/788485043.db2.gz APXWPVTWKRKWJS-RYUDHWBXSA-N 1 0 328.413 -1.649 20 0 EAADRO CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001283770287 788484659 /nfs/dbraw/zinc/48/46/59/788484659.db2.gz APXWPVTWKRKWJS-VXGBXAGGSA-N 1 0 328.413 -1.649 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)C1(F)CCCC1 ZINC001283770881 788485003 /nfs/dbraw/zinc/48/50/03/788485003.db2.gz MMFSSYIBJIMCCO-JTQLQIEISA-N 1 0 330.360 -1.113 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)C1(F)CCCC1 ZINC001283770895 788485120 /nfs/dbraw/zinc/48/51/20/788485120.db2.gz MMFSSYIBJIMCCO-SNVBAGLBSA-N 1 0 330.360 -1.113 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)c1n[nH]c2c1CCC2 ZINC001283771104 788483840 /nfs/dbraw/zinc/48/38/40/788483840.db2.gz OAABUTLOPRCZOY-JTQLQIEISA-N 1 0 349.391 -1.272 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)c1n[nH]c2c1CCC2 ZINC001283771105 788484950 /nfs/dbraw/zinc/48/49/50/788484950.db2.gz OAABUTLOPRCZOY-SNVBAGLBSA-N 1 0 349.391 -1.272 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001283771210 788484876 /nfs/dbraw/zinc/48/48/76/788484876.db2.gz HBXLYJOZKNOXAA-GHMZBOCLSA-N 1 0 328.413 -1.426 20 0 EAADRO CC(C)N1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001283771213 788484508 /nfs/dbraw/zinc/48/45/08/788484508.db2.gz HBXLYJOZKNOXAA-MNOVXSKESA-N 1 0 328.413 -1.426 20 0 EAADRO CC(C)N1CC[C@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001283771215 788486062 /nfs/dbraw/zinc/48/60/62/788486062.db2.gz HBXLYJOZKNOXAA-QWRGUYRKSA-N 1 0 328.413 -1.426 20 0 EAADRO CC(C)N1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001283771217 788486323 /nfs/dbraw/zinc/48/63/23/788486323.db2.gz HBXLYJOZKNOXAA-WDEREUQCSA-N 1 0 328.413 -1.426 20 0 EAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCNC1=O)N1CCCC1 ZINC001283771388 788485500 /nfs/dbraw/zinc/48/55/00/788485500.db2.gz ITQILPDVVWZSBV-NEPJUHHUSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCNC1=O)N1CCCC1 ZINC001283771390 788485445 /nfs/dbraw/zinc/48/54/45/788485445.db2.gz ITQILPDVVWZSBV-NWDGAFQWSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O)N1CCCC1 ZINC001283771392 788486134 /nfs/dbraw/zinc/48/61/34/788486134.db2.gz ITQILPDVVWZSBV-RYUDHWBXSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O)N1CCCC1 ZINC001283771394 788485785 /nfs/dbraw/zinc/48/57/85/788485785.db2.gz ITQILPDVVWZSBV-VXGBXAGGSA-N 1 0 326.397 -1.798 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCNC(=O)C1CC1)c1cn2cccnc2n1 ZINC001283771891 788486118 /nfs/dbraw/zinc/48/61/18/788486118.db2.gz SUMJTHMNGLBHRC-GFCCVEGCSA-N 1 0 346.391 -1.064 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCNC(=O)C1CC1)c1cn2cccnc2n1 ZINC001283771892 788486284 /nfs/dbraw/zinc/48/62/84/788486284.db2.gz SUMJTHMNGLBHRC-LBPRGKRZSA-N 1 0 346.391 -1.064 20 0 EAADRO Cc1cc(C)c(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)[nH]1 ZINC001283771985 788486413 /nfs/dbraw/zinc/48/64/13/788486413.db2.gz MEZJTHUVDMQQAN-LLVKDONJSA-N 1 0 332.426 -1.139 20 0 EAADRO Cc1cc(C)c(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)[nH]1 ZINC001283771986 788486551 /nfs/dbraw/zinc/48/65/51/788486551.db2.gz MEZJTHUVDMQQAN-NSHDSACASA-N 1 0 332.426 -1.139 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001283772157 785286792 /nfs/dbraw/zinc/28/67/92/785286792.db2.gz VONAFHBCYAEYEJ-GHMZBOCLSA-N 1 0 335.426 -1.986 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001283772164 785286172 /nfs/dbraw/zinc/28/61/72/785286172.db2.gz VONAFHBCYAEYEJ-MNOVXSKESA-N 1 0 335.426 -1.986 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001283772168 785285614 /nfs/dbraw/zinc/28/56/14/785285614.db2.gz VONAFHBCYAEYEJ-QWRGUYRKSA-N 1 0 335.426 -1.986 20 0 EAADRO CS(=O)(=O)CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001283772176 785286606 /nfs/dbraw/zinc/28/66/06/785286606.db2.gz VONAFHBCYAEYEJ-WDEREUQCSA-N 1 0 335.426 -1.986 20 0 EAADRO Cn1cncc1C(=O)NC[C@H](CO)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001283772350 788485833 /nfs/dbraw/zinc/48/58/33/788485833.db2.gz XFEWBQSKLJGLCW-LLVKDONJSA-N 1 0 345.363 -1.363 20 0 EAADRO Cn1cncc1C(=O)NC[C@@H](CO)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001283772426 788486197 /nfs/dbraw/zinc/48/61/97/788486197.db2.gz XFEWBQSKLJGLCW-NSHDSACASA-N 1 0 345.363 -1.363 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cn2cccnc2n1 ZINC001283772622 788485680 /nfs/dbraw/zinc/48/56/80/788485680.db2.gz ZNFPWALWSVPUKY-NXEZZACHSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cn2cccnc2n1 ZINC001283772623 788485802 /nfs/dbraw/zinc/48/58/02/788485802.db2.gz ZNFPWALWSVPUKY-UWVGGRQHSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cn2cccnc2n1 ZINC001283772624 788485752 /nfs/dbraw/zinc/48/57/52/788485752.db2.gz ZNFPWALWSVPUKY-VHSXEESVSA-N 1 0 346.347 -1.785 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cn2cccnc2n1 ZINC001283772625 788485489 /nfs/dbraw/zinc/48/54/89/788485489.db2.gz ZNFPWALWSVPUKY-ZJUUUORDSA-N 1 0 346.347 -1.785 20 0 EAADRO NC(=O)c1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001283772948 788485931 /nfs/dbraw/zinc/48/59/31/788485931.db2.gz UXDSPZGTAIMZKC-KBPBESRZSA-N 1 0 348.403 -1.122 20 0 EAADRO NC(=O)c1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001283772949 788485992 /nfs/dbraw/zinc/48/59/92/788485992.db2.gz UXDSPZGTAIMZKC-KGLIPLIRSA-N 1 0 348.403 -1.122 20 0 EAADRO NC(=O)c1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001283772950 788486337 /nfs/dbraw/zinc/48/63/37/788486337.db2.gz UXDSPZGTAIMZKC-UONOGXRCSA-N 1 0 348.403 -1.122 20 0 EAADRO NC(=O)c1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001283772951 788486105 /nfs/dbraw/zinc/48/61/05/788486105.db2.gz UXDSPZGTAIMZKC-ZIAGYGMSSA-N 1 0 348.403 -1.122 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCn1cncn1)c1cnc2n[nH]cc2c1 ZINC001283773226 788485605 /nfs/dbraw/zinc/48/56/05/788485605.db2.gz XHCIYVCTUMVXCD-GFCCVEGCSA-N 1 0 330.352 -1.070 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)c1cnc2n[nH]cc2c1 ZINC001283773227 788485569 /nfs/dbraw/zinc/48/55/69/788485569.db2.gz XHCIYVCTUMVXCD-LBPRGKRZSA-N 1 0 330.352 -1.070 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)c1ccc2nc[nH]c2n1 ZINC001283773274 788485702 /nfs/dbraw/zinc/48/57/02/788485702.db2.gz YHXRSWMFYLUNBA-JTQLQIEISA-N 1 0 330.352 -1.070 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCn1cncn1)c1ccc2nc[nH]c2n1 ZINC001283773275 788486268 /nfs/dbraw/zinc/48/62/68/788486268.db2.gz YHXRSWMFYLUNBA-SNVBAGLBSA-N 1 0 330.352 -1.070 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCn1cccn1)c1ccc2nnnn2c1 ZINC001283781787 788485981 /nfs/dbraw/zinc/48/59/81/788485981.db2.gz JTCRSHMKVZZQPZ-GFCCVEGCSA-N 1 0 330.352 -1.299 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCn1cccn1)c1ccc2nnnn2c1 ZINC001283781789 788487848 /nfs/dbraw/zinc/48/78/48/788487848.db2.gz JTCRSHMKVZZQPZ-LBPRGKRZSA-N 1 0 330.352 -1.299 20 0 EAADRO O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001283783509 788487051 /nfs/dbraw/zinc/48/70/51/788487051.db2.gz YHQLRCXCEXLRMG-NEPJUHHUSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001283783510 788487959 /nfs/dbraw/zinc/48/79/59/788487959.db2.gz YHQLRCXCEXLRMG-NWDGAFQWSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001283783511 788487196 /nfs/dbraw/zinc/48/71/96/788487196.db2.gz YHQLRCXCEXLRMG-RYUDHWBXSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001283783512 788487758 /nfs/dbraw/zinc/48/77/58/788487758.db2.gz YHQLRCXCEXLRMG-VXGBXAGGSA-N 1 0 347.437 -1.986 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)c1csnn1 ZINC001283784351 788487003 /nfs/dbraw/zinc/48/70/03/788487003.db2.gz MWLZYRYIBNEFMU-MRVPVSSYSA-N 1 0 327.366 -1.633 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)c1csnn1 ZINC001283784466 788488097 /nfs/dbraw/zinc/48/80/97/788488097.db2.gz MWLZYRYIBNEFMU-QMMMGPOBSA-N 1 0 327.366 -1.633 20 0 EAADRO CCc1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283784645 788487560 /nfs/dbraw/zinc/48/75/60/788487560.db2.gz PATSCFSHTRUPIB-AAEUAGOBSA-N 1 0 349.391 -1.167 20 0 EAADRO CCc1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283784647 788487677 /nfs/dbraw/zinc/48/76/77/788487677.db2.gz PATSCFSHTRUPIB-DGCLKSJQSA-N 1 0 349.391 -1.167 20 0 EAADRO CCc1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283784649 788487122 /nfs/dbraw/zinc/48/71/22/788487122.db2.gz PATSCFSHTRUPIB-WCQYABFASA-N 1 0 349.391 -1.167 20 0 EAADRO CCc1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)c(C)nn1 ZINC001283784651 788487260 /nfs/dbraw/zinc/48/72/60/788487260.db2.gz PATSCFSHTRUPIB-YPMHNXCESA-N 1 0 349.391 -1.167 20 0 EAADRO COCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001283785589 788487157 /nfs/dbraw/zinc/48/71/57/788487157.db2.gz TWZXTAFVPIKKDJ-JQWIXIFHSA-N 1 0 325.369 -1.531 20 0 EAADRO COCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001283785590 788487088 /nfs/dbraw/zinc/48/70/88/788487088.db2.gz TWZXTAFVPIKKDJ-PWSUYJOCSA-N 1 0 325.369 -1.531 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCN(C(=O)C(N)=O)C1CC1 ZINC001283790004 788487630 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CCN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001283791765 788489392 /nfs/dbraw/zinc/48/93/92/788489392.db2.gz IBBAMEUSXKAGAM-PWSUYJOCSA-N 1 0 326.397 -1.800 20 0 EAADRO CCN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001283791768 788488572 /nfs/dbraw/zinc/48/85/72/788488572.db2.gz IBBAMEUSXKAGAM-ZYHUDNBSSA-N 1 0 326.397 -1.800 20 0 EAADRO Cc1csc(=O)n1CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001283792042 788488970 /nfs/dbraw/zinc/48/89/70/788488970.db2.gz JIERJUORASPBIJ-GHMZBOCLSA-N 1 0 342.421 -1.579 20 0 EAADRO Cc1csc(=O)n1CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001283792053 788488960 /nfs/dbraw/zinc/48/89/60/788488960.db2.gz JIERJUORASPBIJ-MNOVXSKESA-N 1 0 342.421 -1.579 20 0 EAADRO Cc1csc(=O)n1CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001283792056 788489173 /nfs/dbraw/zinc/48/91/73/788489173.db2.gz JIERJUORASPBIJ-QWRGUYRKSA-N 1 0 342.421 -1.579 20 0 EAADRO Cc1csc(=O)n1CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001283792059 788489610 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EAADRO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)NC1=O ZINC001283793863 788488848 /nfs/dbraw/zinc/48/88/48/788488848.db2.gz XMKSQFHMRXEGOP-QWRGUYRKSA-N 1 0 327.385 -2.397 20 0 EAADRO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)NC1=O ZINC001283793865 788488433 /nfs/dbraw/zinc/48/84/33/788488433.db2.gz XMKSQFHMRXEGOP-WDEREUQCSA-N 1 0 327.385 -2.397 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@@]1(F)CCOC1 ZINC001283795075 788488790 /nfs/dbraw/zinc/48/87/90/788488790.db2.gz CORDGEHLPRBUGD-NOZJJQNGSA-N 1 0 332.332 -2.267 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@]1(F)CCOC1 ZINC001283795076 788488886 /nfs/dbraw/zinc/48/88/86/788488886.db2.gz CORDGEHLPRBUGD-RNCFNFMXSA-N 1 0 332.332 -2.267 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@@]1(F)CCOC1 ZINC001283795077 788489043 /nfs/dbraw/zinc/48/90/43/788489043.db2.gz CORDGEHLPRBUGD-TVQRCGJNSA-N 1 0 332.332 -2.267 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)[C@]1(F)CCOC1 ZINC001283795078 788489187 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EAADRO Cc1ncc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)n1C ZINC001283796198 785288396 /nfs/dbraw/zinc/28/83/96/785288396.db2.gz HSVCUSWSNWZRGR-SNVBAGLBSA-N 1 0 333.414 -2.042 20 0 EAADRO NC(=O)C(=O)NC[C@@H](CO)[NH2+]CCn1cnc2ccccc2c1=O ZINC001283796231 788488933 /nfs/dbraw/zinc/48/89/33/788488933.db2.gz IIJRRSDFHXRWHM-JTQLQIEISA-N 1 0 333.348 -2.052 20 0 EAADRO NC(=O)C(=O)NC[C@H](CO)[NH2+]CCn1cnc2ccccc2c1=O ZINC001283796232 788488661 /nfs/dbraw/zinc/48/86/61/788488661.db2.gz IIJRRSDFHXRWHM-SNVBAGLBSA-N 1 0 333.348 -2.052 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001283796583 788488919 /nfs/dbraw/zinc/48/89/19/788488919.db2.gz JGXWMSJEQPTJNJ-NEPJUHHUSA-N 1 0 328.413 -1.600 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001283796584 788488464 /nfs/dbraw/zinc/48/84/64/788488464.db2.gz JGXWMSJEQPTJNJ-NWDGAFQWSA-N 1 0 328.413 -1.600 20 0 EAADRO CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001283796585 788489461 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ZINC001283797158 788489624 /nfs/dbraw/zinc/48/96/24/788489624.db2.gz MNQDAMVXZWGIDL-WDEREUQCSA-N 1 0 328.413 -1.426 20 0 EAADRO NC(=O)C(=O)NC[C@@H](CO)[NH2+]CCOCC(F)(F)C(F)(F)F ZINC001283797738 788487164 /nfs/dbraw/zinc/48/71/64/788487164.db2.gz SEOMNORECDLMCG-LURJTMIESA-N 1 0 337.245 -1.247 20 0 EAADRO NC(=O)C(=O)NC[C@H](CO)[NH2+]CCOCC(F)(F)C(F)(F)F ZINC001283797739 788487294 /nfs/dbraw/zinc/48/72/94/788487294.db2.gz SEOMNORECDLMCG-ZCFIWIBFSA-N 1 0 337.245 -1.247 20 0 EAADRO C[C@H]([NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1)C(=O)NC1CCCC1 ZINC001283798379 788490418 /nfs/dbraw/zinc/49/04/18/788490418.db2.gz XPDXXXMGBJEKPF-CMPLNLGQSA-N 1 0 340.424 -1.234 20 0 EAADRO C[C@H]([NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1)C(=O)NC1CCCC1 ZINC001283798381 788490359 /nfs/dbraw/zinc/49/03/59/788490359.db2.gz XPDXXXMGBJEKPF-JQWIXIFHSA-N 1 0 340.424 -1.234 20 0 EAADRO C[C@@H]([NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1)C(=O)NC1CCCC1 ZINC001283798383 788490122 /nfs/dbraw/zinc/49/01/22/788490122.db2.gz 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C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)CCC(=O)NC1 ZINC001283798502 788490736 /nfs/dbraw/zinc/49/07/36/788490736.db2.gz YFGCTGRAUKXANG-BLLLJJGKSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)CCC(=O)NC1 ZINC001283798504 788490403 /nfs/dbraw/zinc/49/04/03/788490403.db2.gz YFGCTGRAUKXANG-LRDDRELGSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)CCC(=O)NC1 ZINC001283798505 788490315 /nfs/dbraw/zinc/49/03/15/788490315.db2.gz YFGCTGRAUKXANG-MLGOLLRUSA-N 1 0 340.424 -1.504 20 0 EAADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)CCC(=O)NC1 ZINC001283798507 788491263 /nfs/dbraw/zinc/49/12/63/788491263.db2.gz YFGCTGRAUKXANG-WBMJQRKESA-N 1 0 340.424 -1.504 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001283798628 788490029 /nfs/dbraw/zinc/49/00/29/788490029.db2.gz YVORKZFYTAHFQT-KZWBYHQPSA-N 1 0 325.365 -1.906 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001283798629 788491352 /nfs/dbraw/zinc/49/13/52/788491352.db2.gz YVORKZFYTAHFQT-PUHVVEEASA-N 1 0 325.365 -1.906 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)C1(c2cccnc2)CC1 ZINC001283798706 788491097 /nfs/dbraw/zinc/49/10/97/788491097.db2.gz ZTSUNUNIZMGQAY-CHWSQXEVSA-N 1 0 346.387 -1.015 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)C1(c2cccnc2)CC1 ZINC001283798707 788490509 /nfs/dbraw/zinc/49/05/09/788490509.db2.gz ZTSUNUNIZMGQAY-OLZOCXBDSA-N 1 0 346.387 -1.015 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)C1(c2cccnc2)CC1 ZINC001283798708 788490843 /nfs/dbraw/zinc/49/08/43/788490843.db2.gz ZTSUNUNIZMGQAY-QWHCGFSZSA-N 1 0 346.387 -1.015 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)C1(c2cccnc2)CC1 ZINC001283798709 788490575 /nfs/dbraw/zinc/49/05/75/788490575.db2.gz ZTSUNUNIZMGQAY-STQMWFEESA-N 1 0 346.387 -1.015 20 0 EAADRO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@]2(C)CCNC2=O)cc1=O ZINC001283803096 788490192 /nfs/dbraw/zinc/49/01/92/788490192.db2.gz HAAAFDDNFSIOKR-BLLLJJGKSA-N 1 0 336.392 -1.522 20 0 EAADRO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@]2(C)CCNC2=O)cc1=O ZINC001283803098 788490292 /nfs/dbraw/zinc/49/02/92/788490292.db2.gz HAAAFDDNFSIOKR-LRDDRELGSA-N 1 0 336.392 -1.522 20 0 EAADRO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@]2(C)CCNC2=O)cc1=O ZINC001283803100 788490526 /nfs/dbraw/zinc/49/05/26/788490526.db2.gz HAAAFDDNFSIOKR-MLGOLLRUSA-N 1 0 336.392 -1.522 20 0 EAADRO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@]2(C)CCNC2=O)cc1=O ZINC001283803102 788490071 /nfs/dbraw/zinc/49/00/71/788490071.db2.gz HAAAFDDNFSIOKR-WBMJQRKESA-N 1 0 336.392 -1.522 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001283803444 788490049 /nfs/dbraw/zinc/49/00/49/788490049.db2.gz FXJSIYXQNYDTCC-BXKDBHETSA-N 1 0 336.414 -2.872 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001283803445 788491301 /nfs/dbraw/zinc/49/13/01/788491301.db2.gz FXJSIYXQNYDTCC-CABZTGNLSA-N 1 0 336.414 -2.872 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001283803446 788490091 /nfs/dbraw/zinc/49/00/91/788490091.db2.gz FXJSIYXQNYDTCC-JOYOIKCWSA-N 1 0 336.414 -2.872 20 0 EAADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)CCNC1=O ZINC001283803447 788490914 /nfs/dbraw/zinc/49/09/14/788490914.db2.gz FXJSIYXQNYDTCC-SKDRFNHKSA-N 1 0 336.414 -2.872 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CCCN2CCCC2=O)CCNC1=O ZINC001283804152 788490454 /nfs/dbraw/zinc/49/04/54/788490454.db2.gz KCOVGSPDULTJMN-BLLLJJGKSA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CCCN2CCCC2=O)CCNC1=O ZINC001283804153 788490656 /nfs/dbraw/zinc/49/06/56/788490656.db2.gz KCOVGSPDULTJMN-LRDDRELGSA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CCCN2CCCC2=O)CCNC1=O ZINC001283804154 788491148 /nfs/dbraw/zinc/49/11/48/788491148.db2.gz KCOVGSPDULTJMN-MLGOLLRUSA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]CCCN2CCCC2=O)CCNC1=O ZINC001283804155 788491324 /nfs/dbraw/zinc/49/13/24/788491324.db2.gz KCOVGSPDULTJMN-WBMJQRKESA-N 1 0 340.424 -1.408 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)CCNC1=O ZINC001283804895 788491776 /nfs/dbraw/zinc/49/17/76/788491776.db2.gz PCRPJZBKSDVDKW-CXAGYDPISA-N 1 0 348.403 -1.122 20 0 EAADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)CCNC1=O ZINC001283804897 788491634 /nfs/dbraw/zinc/49/16/34/788491634.db2.gz PCRPJZBKSDVDKW-DYVFJYSZSA-N 1 0 348.403 -1.122 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)CCNC1=O ZINC001283804899 788491847 /nfs/dbraw/zinc/49/18/47/788491847.db2.gz PCRPJZBKSDVDKW-GUYCJALGSA-N 1 0 348.403 -1.122 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)CCNC1=O ZINC001283804901 788492756 /nfs/dbraw/zinc/49/27/56/788492756.db2.gz PCRPJZBKSDVDKW-SUMWQHHRSA-N 1 0 348.403 -1.122 20 0 EAADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC1=O ZINC001283805129 788492860 /nfs/dbraw/zinc/49/28/60/788492860.db2.gz QJBWPWRWNPBLBI-ABAIWWIYSA-N 1 0 326.397 -1.895 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC1=O ZINC001283805130 788492459 /nfs/dbraw/zinc/49/24/59/788492459.db2.gz QJBWPWRWNPBLBI-IAQYHMDHSA-N 1 0 326.397 -1.895 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC1=O ZINC001283805131 788492693 /nfs/dbraw/zinc/49/26/93/788492693.db2.gz QJBWPWRWNPBLBI-NHYWBVRUSA-N 1 0 326.397 -1.895 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)CCNC1=O ZINC001283805133 788492558 /nfs/dbraw/zinc/49/25/58/788492558.db2.gz QJBWPWRWNPBLBI-XHDPSFHLSA-N 1 0 326.397 -1.895 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)[C@@]2(C)CCNC2=O)n1 ZINC001283806428 788491811 /nfs/dbraw/zinc/49/18/11/788491811.db2.gz VRCRGLQGFAEFIY-DOMZBBRYSA-N 1 0 338.412 -1.512 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)[C@]2(C)CCNC2=O)n1 ZINC001283806429 788492335 /nfs/dbraw/zinc/49/23/35/788492335.db2.gz VRCRGLQGFAEFIY-IUODEOHRSA-N 1 0 338.412 -1.512 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)[C@]2(C)CCNC2=O)n1 ZINC001283806430 788492406 /nfs/dbraw/zinc/49/24/06/788492406.db2.gz VRCRGLQGFAEFIY-SWLSCSKDSA-N 1 0 338.412 -1.512 20 0 EAADRO Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)[C@@]2(C)CCNC2=O)n1 ZINC001283806431 788492247 /nfs/dbraw/zinc/49/22/47/788492247.db2.gz VRCRGLQGFAEFIY-WFASDCNBSA-N 1 0 338.412 -1.512 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(C2CC2)n[nH]1 ZINC001283807187 788492377 /nfs/dbraw/zinc/49/23/77/788492377.db2.gz ZTIMXQOUFXUFMZ-NXEZZACHSA-N 1 0 335.364 -1.227 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cc(C2CC2)n[nH]1 ZINC001283807190 788492446 /nfs/dbraw/zinc/49/24/46/788492446.db2.gz ZTIMXQOUFXUFMZ-UWVGGRQHSA-N 1 0 335.364 -1.227 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(C2CC2)n[nH]1 ZINC001283807195 788492772 /nfs/dbraw/zinc/49/27/72/788492772.db2.gz ZTIMXQOUFXUFMZ-VHSXEESVSA-N 1 0 335.364 -1.227 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cc(C2CC2)n[nH]1 ZINC001283807198 788491698 /nfs/dbraw/zinc/49/16/98/788491698.db2.gz ZTIMXQOUFXUFMZ-ZJUUUORDSA-N 1 0 335.364 -1.227 20 0 EAADRO CCCn1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001283812230 788492683 /nfs/dbraw/zinc/49/26/83/788492683.db2.gz FXNWJTAEHYXXAT-NEPJUHHUSA-N 1 0 337.380 -1.221 20 0 EAADRO CCCn1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001283812231 788492306 /nfs/dbraw/zinc/49/23/06/788492306.db2.gz FXNWJTAEHYXXAT-NWDGAFQWSA-N 1 0 337.380 -1.221 20 0 EAADRO CCCn1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001283812232 788492204 /nfs/dbraw/zinc/49/22/04/788492204.db2.gz FXNWJTAEHYXXAT-RYUDHWBXSA-N 1 0 337.380 -1.221 20 0 EAADRO CCCn1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001283812234 788492479 /nfs/dbraw/zinc/49/24/79/788492479.db2.gz FXNWJTAEHYXXAT-VXGBXAGGSA-N 1 0 337.380 -1.221 20 0 EAADRO O=C(Cc1cscn1)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283812300 788492289 /nfs/dbraw/zinc/49/22/89/788492289.db2.gz GLQTUSNDNXTDGW-NXEZZACHSA-N 1 0 326.378 -1.443 20 0 EAADRO O=C(Cc1cscn1)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283812302 788492571 /nfs/dbraw/zinc/49/25/71/788492571.db2.gz GLQTUSNDNXTDGW-UWVGGRQHSA-N 1 0 326.378 -1.443 20 0 EAADRO O=C(Cc1cscn1)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283812304 788492629 /nfs/dbraw/zinc/49/26/29/788492629.db2.gz GLQTUSNDNXTDGW-VHSXEESVSA-N 1 0 326.378 -1.443 20 0 EAADRO O=C(Cc1cscn1)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283812306 788491935 /nfs/dbraw/zinc/49/19/35/788491935.db2.gz GLQTUSNDNXTDGW-ZJUUUORDSA-N 1 0 326.378 -1.443 20 0 EAADRO CCCCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001283812698 788492854 /nfs/dbraw/zinc/49/28/54/788492854.db2.gz IYEPIPXQJRFPEA-LLVKDONJSA-N 1 0 326.397 -1.046 20 0 EAADRO CCCCC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001283812699 788492525 /nfs/dbraw/zinc/49/25/25/788492525.db2.gz IYEPIPXQJRFPEA-NSHDSACASA-N 1 0 326.397 -1.046 20 0 EAADRO COCC[NH2+][C@@H](CO)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001283813023 788492800 /nfs/dbraw/zinc/49/28/00/788492800.db2.gz LNSIIZKVSLKPNZ-LLVKDONJSA-N 1 0 328.373 -2.108 20 0 EAADRO COCC[NH2+][C@H](CO)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001283813025 788491955 /nfs/dbraw/zinc/49/19/55/788491955.db2.gz LNSIIZKVSLKPNZ-NSHDSACASA-N 1 0 328.373 -2.108 20 0 EAADRO CC(C)=CC[NH2+][C@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001283813522 788492811 /nfs/dbraw/zinc/49/28/11/788492811.db2.gz PBDKRSZQIZWCNA-JTQLQIEISA-N 1 0 326.353 -1.560 20 0 EAADRO CC(C)=CC[NH2+][C@@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001283813524 788492275 /nfs/dbraw/zinc/49/22/75/788492275.db2.gz PBDKRSZQIZWCNA-SNVBAGLBSA-N 1 0 326.353 -1.560 20 0 EAADRO Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283813645 788492353 /nfs/dbraw/zinc/49/23/53/788492353.db2.gz BQNXKMKGHZCFCI-LLVKDONJSA-N 1 0 337.380 -1.918 20 0 EAADRO Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283813647 788492566 /nfs/dbraw/zinc/49/25/66/788492566.db2.gz BQNXKMKGHZCFCI-NSHDSACASA-N 1 0 337.380 -1.918 20 0 EAADRO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001283813676 788492088 /nfs/dbraw/zinc/49/20/88/788492088.db2.gz BTFNHTUKDLYXDJ-SSDOTTSWSA-N 1 0 328.291 -2.132 20 0 EAADRO CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001283813685 785290184 /nfs/dbraw/zinc/29/01/84/785290184.db2.gz BTFNHTUKDLYXDJ-ZETCQYMHSA-N 1 0 328.291 -2.132 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283814036 788493878 /nfs/dbraw/zinc/49/38/78/788493878.db2.gz DFALFQAGZZMSEV-JTQLQIEISA-N 1 0 328.369 -2.416 20 0 EAADRO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283814038 788493970 /nfs/dbraw/zinc/49/39/70/788493970.db2.gz DFALFQAGZZMSEV-SNVBAGLBSA-N 1 0 328.369 -2.416 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1)C1CC(=O)NC(=O)C1 ZINC001283814092 788494241 /nfs/dbraw/zinc/49/42/41/788494241.db2.gz FBIRZHMXZXVNFP-NEPJUHHUSA-N 1 0 327.381 -1.325 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1)C1CC(=O)NC(=O)C1 ZINC001283814094 788494378 /nfs/dbraw/zinc/49/43/78/788494378.db2.gz FBIRZHMXZXVNFP-NWDGAFQWSA-N 1 0 327.381 -1.325 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCCCO1)C1CC(=O)NC(=O)C1 ZINC001283814095 788494136 /nfs/dbraw/zinc/49/41/36/788494136.db2.gz FBIRZHMXZXVNFP-RYUDHWBXSA-N 1 0 327.381 -1.325 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCCCO1)C1CC(=O)NC(=O)C1 ZINC001283814096 788494186 /nfs/dbraw/zinc/49/41/86/788494186.db2.gz FBIRZHMXZXVNFP-VXGBXAGGSA-N 1 0 327.381 -1.325 20 0 EAADRO COc1ccc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)o1 ZINC001283814327 788493469 /nfs/dbraw/zinc/49/34/69/788493469.db2.gz FPUKCXZJJSNAEH-BDAKNGLRSA-N 1 0 325.321 -1.226 20 0 EAADRO COc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)o1 ZINC001283814328 788493897 /nfs/dbraw/zinc/49/38/97/788493897.db2.gz FPUKCXZJJSNAEH-DTWKUNHWSA-N 1 0 325.321 -1.226 20 0 EAADRO COc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)o1 ZINC001283814329 788493531 /nfs/dbraw/zinc/49/35/31/788493531.db2.gz FPUKCXZJJSNAEH-IUCAKERBSA-N 1 0 325.321 -1.226 20 0 EAADRO COc1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)o1 ZINC001283814330 788494211 /nfs/dbraw/zinc/49/42/11/788494211.db2.gz FPUKCXZJJSNAEH-RKDXNWHRSA-N 1 0 325.321 -1.226 20 0 EAADRO O=C(CC(=O)NCC(F)(F)F)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001283814355 788493379 /nfs/dbraw/zinc/49/33/79/788493379.db2.gz GAUJLIWPVDXSJL-HTQZYQBOSA-N 1 0 340.302 -1.990 20 0 EAADRO O=C(CC(=O)NCC(F)(F)F)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001283814356 788494659 /nfs/dbraw/zinc/49/46/59/788494659.db2.gz GAUJLIWPVDXSJL-JGVFFNPUSA-N 1 0 340.302 -1.990 20 0 EAADRO O=C(CC(=O)NCC(F)(F)F)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001283814357 788493814 /nfs/dbraw/zinc/49/38/14/788493814.db2.gz GAUJLIWPVDXSJL-SFYZADRCSA-N 1 0 340.302 -1.990 20 0 EAADRO O=C(CC(=O)NCC(F)(F)F)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001283814358 788493446 /nfs/dbraw/zinc/49/34/46/788493446.db2.gz GAUJLIWPVDXSJL-YUMQZZPRSA-N 1 0 340.302 -1.990 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)CC1 ZINC001283814541 788494438 /nfs/dbraw/zinc/49/44/38/788494438.db2.gz YBVNNFSVNDLAAG-CYBMUJFWSA-N 1 0 338.412 -1.397 20 0 EAADRO CC1CCN(C(=O)C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)CC1 ZINC001283814542 788494604 /nfs/dbraw/zinc/49/46/04/788494604.db2.gz YBVNNFSVNDLAAG-ZDUSSCGKSA-N 1 0 338.412 -1.397 20 0 EAADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)CCCOC1 ZINC001283814742 788494280 /nfs/dbraw/zinc/49/42/80/788494280.db2.gz HYNKSDIUBKGTTI-ABAIWWIYSA-N 1 0 342.396 -1.578 20 0 EAADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)CCCOC1 ZINC001283814743 788494306 /nfs/dbraw/zinc/49/43/06/788494306.db2.gz HYNKSDIUBKGTTI-IAQYHMDHSA-N 1 0 342.396 -1.578 20 0 EAADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)CCCOC1 ZINC001283814744 788493781 /nfs/dbraw/zinc/49/37/81/788493781.db2.gz HYNKSDIUBKGTTI-NHYWBVRUSA-N 1 0 342.396 -1.578 20 0 EAADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)CCCOC1 ZINC001283814745 788493858 /nfs/dbraw/zinc/49/38/58/788493858.db2.gz HYNKSDIUBKGTTI-XHDPSFHLSA-N 1 0 342.396 -1.578 20 0 EAADRO CC[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001283814798 788493709 /nfs/dbraw/zinc/49/37/09/788493709.db2.gz ZPHMZPXVBFZFHJ-NXEZZACHSA-N 1 0 328.369 -1.480 20 0 EAADRO CC[C@H](C)C[NH2+][C@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001283814799 788494182 /nfs/dbraw/zinc/49/41/82/788494182.db2.gz ZPHMZPXVBFZFHJ-UWVGGRQHSA-N 1 0 328.369 -1.480 20 0 EAADRO CC[C@H](C)C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001283814800 788493300 /nfs/dbraw/zinc/49/33/00/788493300.db2.gz ZPHMZPXVBFZFHJ-VHSXEESVSA-N 1 0 328.369 -1.480 20 0 EAADRO CC[C@@H](C)C[NH2+][C@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001283814801 788494247 /nfs/dbraw/zinc/49/42/47/788494247.db2.gz ZPHMZPXVBFZFHJ-ZJUUUORDSA-N 1 0 328.369 -1.480 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283814890 788493476 /nfs/dbraw/zinc/49/34/76/788493476.db2.gz JGMKIMAKKGPMCP-NXEZZACHSA-N 1 0 328.369 -2.227 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283814892 788493580 /nfs/dbraw/zinc/49/35/80/788493580.db2.gz JGMKIMAKKGPMCP-UWVGGRQHSA-N 1 0 328.369 -2.227 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283814894 788494220 /nfs/dbraw/zinc/49/42/20/788494220.db2.gz JGMKIMAKKGPMCP-VHSXEESVSA-N 1 0 328.369 -2.227 20 0 EAADRO CC(=O)NC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283814895 788493398 /nfs/dbraw/zinc/49/33/98/788493398.db2.gz JGMKIMAKKGPMCP-ZJUUUORDSA-N 1 0 328.369 -2.227 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn2c1CCCC2 ZINC001283815833 788493695 /nfs/dbraw/zinc/49/36/95/788493695.db2.gz GVIDGINILQYSAY-CMPLNLGQSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cnn2c1CCCC2 ZINC001283815834 788494096 /nfs/dbraw/zinc/49/40/96/788494096.db2.gz GVIDGINILQYSAY-JQWIXIFHSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cnn2c1CCCC2 ZINC001283815835 788493935 /nfs/dbraw/zinc/49/39/35/788493935.db2.gz GVIDGINILQYSAY-PWSUYJOCSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn2c1CCCC2 ZINC001283815836 788493634 /nfs/dbraw/zinc/49/36/34/788493634.db2.gz GVIDGINILQYSAY-ZYHUDNBSSA-N 1 0 349.391 -1.295 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cnn(C(F)F)c1 ZINC001283816545 788493326 /nfs/dbraw/zinc/49/33/26/788493326.db2.gz QAAYGOCVRBGNMY-BDAKNGLRSA-N 1 0 345.306 -1.236 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn(C(F)F)c1 ZINC001283816546 788494351 /nfs/dbraw/zinc/49/43/51/788494351.db2.gz QAAYGOCVRBGNMY-DTWKUNHWSA-N 1 0 345.306 -1.236 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cnn(C(F)F)c1 ZINC001283816547 788493358 /nfs/dbraw/zinc/49/33/58/788493358.db2.gz QAAYGOCVRBGNMY-IUCAKERBSA-N 1 0 345.306 -1.236 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cnn(C(F)F)c1 ZINC001283816548 788494586 /nfs/dbraw/zinc/49/45/86/788494586.db2.gz QAAYGOCVRBGNMY-RKDXNWHRSA-N 1 0 345.306 -1.236 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283816567 788494336 /nfs/dbraw/zinc/49/43/36/788494336.db2.gz QFVFRFUCIOFGQX-GFCCVEGCSA-N 1 0 337.380 -1.652 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283816570 788493948 /nfs/dbraw/zinc/49/39/48/788493948.db2.gz QFVFRFUCIOFGQX-LBPRGKRZSA-N 1 0 337.380 -1.652 20 0 EAADRO C[NH+](C)CCC(=O)N1CCN(CCCNC(=O)CC(N)=O)CC1 ZINC001283816892 788495363 /nfs/dbraw/zinc/49/53/63/788495363.db2.gz COLCSTKPLHDYNX-UHFFFAOYSA-N 1 0 327.429 -1.536 20 0 EAADRO Cn1ncc2cc(C(=O)NC[C@H](CO)[NH2+]CCn3cncn3)cnc21 ZINC001283817803 788495133 /nfs/dbraw/zinc/49/51/33/788495133.db2.gz ULMAKQDWVBTJOY-CYBMUJFWSA-N 1 0 344.379 -1.060 20 0 EAADRO Cn1ncc2cc(C(=O)NC[C@@H](CO)[NH2+]CCn3cncn3)cnc21 ZINC001283817805 788495465 /nfs/dbraw/zinc/49/54/65/788495465.db2.gz ULMAKQDWVBTJOY-ZDUSSCGKSA-N 1 0 344.379 -1.060 20 0 EAADRO CCn1cc(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001283819020 788495352 /nfs/dbraw/zinc/49/53/52/788495352.db2.gz SUPLKRRWZWBAHG-NEPJUHHUSA-N 1 0 337.380 -1.683 20 0 EAADRO CCn1cc(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001283819023 788495938 /nfs/dbraw/zinc/49/59/38/788495938.db2.gz SUPLKRRWZWBAHG-NWDGAFQWSA-N 1 0 337.380 -1.683 20 0 EAADRO CCn1cc(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001283819026 788495683 /nfs/dbraw/zinc/49/56/83/788495683.db2.gz SUPLKRRWZWBAHG-RYUDHWBXSA-N 1 0 337.380 -1.683 20 0 EAADRO CCn1cc(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001283819029 788495887 /nfs/dbraw/zinc/49/58/87/788495887.db2.gz SUPLKRRWZWBAHG-VXGBXAGGSA-N 1 0 337.380 -1.683 20 0 EAADRO C[C@@H]([NH2+][C@@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O)C(=O)N(C)C ZINC001283819370 788496260 /nfs/dbraw/zinc/49/62/60/788496260.db2.gz UYSDEVAQEVBNBN-NXEZZACHSA-N 1 0 343.384 -2.576 20 0 EAADRO C[C@H]([NH2+][C@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O)C(=O)N(C)C ZINC001283819371 788495655 /nfs/dbraw/zinc/49/56/55/788495655.db2.gz UYSDEVAQEVBNBN-UWVGGRQHSA-N 1 0 343.384 -2.576 20 0 EAADRO C[C@H]([NH2+][C@@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O)C(=O)N(C)C ZINC001283819372 788496212 /nfs/dbraw/zinc/49/62/12/788496212.db2.gz UYSDEVAQEVBNBN-VHSXEESVSA-N 1 0 343.384 -2.576 20 0 EAADRO C[C@@H]([NH2+][C@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O)C(=O)N(C)C ZINC001283819373 788495573 /nfs/dbraw/zinc/49/55/73/788495573.db2.gz UYSDEVAQEVBNBN-ZJUUUORDSA-N 1 0 343.384 -2.576 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001283819616 788496241 /nfs/dbraw/zinc/49/62/41/788496241.db2.gz YEAUYRCFROFXRP-CMPLNLGQSA-N 1 0 334.376 -1.011 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001283819617 788496130 /nfs/dbraw/zinc/49/61/30/788496130.db2.gz YEAUYRCFROFXRP-JQWIXIFHSA-N 1 0 334.376 -1.011 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001283819618 788495428 /nfs/dbraw/zinc/49/54/28/788495428.db2.gz YEAUYRCFROFXRP-PWSUYJOCSA-N 1 0 334.376 -1.011 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2c([nH]1)CCC2 ZINC001283819619 788495196 /nfs/dbraw/zinc/49/51/96/788495196.db2.gz YEAUYRCFROFXRP-ZYHUDNBSSA-N 1 0 334.376 -1.011 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CCN(C(=O)C(N)=O)CC1 ZINC001283821033 788497712 /nfs/dbraw/zinc/49/77/12/788497712.db2.gz LLQSPWRYUGUZJQ-ZDUSSCGKSA-N 1 0 339.440 -1.394 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(C(=O)C(N)=O)CC1 ZINC001283821281 788497889 /nfs/dbraw/zinc/49/78/89/788497889.db2.gz XXDMCSPZTJHIMD-GFCCVEGCSA-N 1 0 325.413 -1.784 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)NCCCN2CCN(C(=O)C(N)=O)CC2)C1 ZINC001283822017 788497676 /nfs/dbraw/zinc/49/76/76/788497676.db2.gz ZRBOLAFLASPYQC-GFCCVEGCSA-N 1 0 325.413 -1.926 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCN(C(=O)C(N)=O)CC2)C1 ZINC001283822027 788497770 /nfs/dbraw/zinc/49/77/70/788497770.db2.gz ZRBOLAFLASPYQC-LBPRGKRZSA-N 1 0 325.413 -1.926 20 0 EAADRO CC(C)[C@@H](C(=O)N1CCN(CCCNC(=O)C(N)=O)CC1)[NH+](C)C ZINC001283822104 788497457 /nfs/dbraw/zinc/49/74/57/788497457.db2.gz UVAUHAWKUWONHN-ZDUSSCGKSA-N 1 0 341.456 -1.292 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)CCC1 ZINC001283822388 788497809 /nfs/dbraw/zinc/49/78/09/788497809.db2.gz ANOXZACXLKUIKZ-LLVKDONJSA-N 1 0 342.440 -1.116 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)CCC1 ZINC001283822389 788497140 /nfs/dbraw/zinc/49/71/40/788497140.db2.gz ANOXZACXLKUIKZ-NSHDSACASA-N 1 0 342.440 -1.116 20 0 EAADRO C[NH+](C)C1(C(=O)N2CCN(CCCNC(=O)C(N)=O)CC2)CCC1 ZINC001283823134 788499218 /nfs/dbraw/zinc/49/92/18/788499218.db2.gz ZUTADSYEJIXVEJ-UHFFFAOYSA-N 1 0 339.440 -1.394 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CCNC(=O)CC(N)=O)CC2)C1 ZINC001283823372 788498624 /nfs/dbraw/zinc/49/86/24/788498624.db2.gz HDGBTXZRYGFREB-GFCCVEGCSA-N 1 0 325.413 -1.926 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(CCNC(=O)CC(N)=O)CC2)C1 ZINC001283823373 788499106 /nfs/dbraw/zinc/49/91/06/788499106.db2.gz HDGBTXZRYGFREB-LBPRGKRZSA-N 1 0 325.413 -1.926 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C(C)C)CCC1 ZINC001283823712 788498608 /nfs/dbraw/zinc/49/86/08/788498608.db2.gz JESNCJWOXNDGLR-GFCCVEGCSA-N 1 0 342.440 -1.164 20 0 EAADRO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C(C)C)CCC1 ZINC001283823713 788498723 /nfs/dbraw/zinc/49/87/23/788498723.db2.gz JESNCJWOXNDGLR-LBPRGKRZSA-N 1 0 342.440 -1.164 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCC(=O)N1 ZINC001283825112 788498833 /nfs/dbraw/zinc/49/88/33/788498833.db2.gz NNWZZDRYOXABDK-UWVGGRQHSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCC(=O)N1 ZINC001283825113 788498789 /nfs/dbraw/zinc/49/87/89/788498789.db2.gz NNWZZDRYOXABDK-ZJUUUORDSA-N 1 0 326.353 -2.519 20 0 EAADRO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1cc(Cl)no1 ZINC001283825916 788499988 /nfs/dbraw/zinc/49/99/88/788499988.db2.gz RJXXXYLKJNBKTH-SSDOTTSWSA-N 1 0 345.743 -1.440 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1cc(Cl)no1 ZINC001283825917 788500206 /nfs/dbraw/zinc/50/02/06/788500206.db2.gz RJXXXYLKJNBKTH-ZETCQYMHSA-N 1 0 345.743 -1.440 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001283826887 788500735 /nfs/dbraw/zinc/50/07/35/788500735.db2.gz DZHLUDMVCJPRQT-NXEZZACHSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001283826888 788500905 /nfs/dbraw/zinc/50/09/05/788500905.db2.gz DZHLUDMVCJPRQT-UWVGGRQHSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001283826889 788500241 /nfs/dbraw/zinc/50/02/41/788500241.db2.gz DZHLUDMVCJPRQT-VHSXEESVSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(CCCN1C(=O)CNC1=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001283826890 788500109 /nfs/dbraw/zinc/50/01/09/788500109.db2.gz DZHLUDMVCJPRQT-ZJUUUORDSA-N 1 0 341.368 -2.726 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cc(Cl)no1 ZINC001283827058 788500861 /nfs/dbraw/zinc/50/08/61/788500861.db2.gz ZWCVIJHCTDNRJT-BQBZGAKWSA-N 1 0 330.728 -1.187 20 0 EAADRO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(Cl)no1 ZINC001283827066 788500124 /nfs/dbraw/zinc/50/01/24/788500124.db2.gz ZWCVIJHCTDNRJT-NKWVEPMBSA-N 1 0 330.728 -1.187 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(Cl)no1 ZINC001283827068 788499470 /nfs/dbraw/zinc/49/94/70/788499470.db2.gz ZWCVIJHCTDNRJT-RNFRBKRXSA-N 1 0 330.728 -1.187 20 0 EAADRO O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)c1cc(Cl)no1 ZINC001283827070 788500596 /nfs/dbraw/zinc/50/05/96/788500596.db2.gz ZWCVIJHCTDNRJT-RQJHMYQMSA-N 1 0 330.728 -1.187 20 0 EAADRO CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001283827311 788500932 /nfs/dbraw/zinc/50/09/32/788500932.db2.gz JSFJANVEKHQYRE-BDAKNGLRSA-N 1 0 327.341 -3.164 20 0 EAADRO CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001283827312 788500958 /nfs/dbraw/zinc/50/09/58/788500958.db2.gz JSFJANVEKHQYRE-DTWKUNHWSA-N 1 0 327.341 -3.164 20 0 EAADRO CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001283827313 788500747 /nfs/dbraw/zinc/50/07/47/788500747.db2.gz JSFJANVEKHQYRE-IUCAKERBSA-N 1 0 327.341 -3.164 20 0 EAADRO CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001283827314 788500526 /nfs/dbraw/zinc/50/05/26/788500526.db2.gz JSFJANVEKHQYRE-RKDXNWHRSA-N 1 0 327.341 -3.164 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1=O ZINC001283827938 788499657 /nfs/dbraw/zinc/49/96/57/788499657.db2.gz VQGVRRBPOVCMPZ-JTQLQIEISA-N 1 0 341.368 -2.774 20 0 EAADRO CN1CC(=O)N(CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1=O ZINC001283827939 788500810 /nfs/dbraw/zinc/50/08/10/788500810.db2.gz VQGVRRBPOVCMPZ-SNVBAGLBSA-N 1 0 341.368 -2.774 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001283828116 788500797 /nfs/dbraw/zinc/50/07/97/788500797.db2.gz ZDMQYCUXNFGZNY-BDAKNGLRSA-N 1 0 329.357 -2.871 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001283828117 788499920 /nfs/dbraw/zinc/49/99/20/788499920.db2.gz ZDMQYCUXNFGZNY-DTWKUNHWSA-N 1 0 329.357 -2.871 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001283828118 788500513 /nfs/dbraw/zinc/50/05/13/788500513.db2.gz ZDMQYCUXNFGZNY-IUCAKERBSA-N 1 0 329.357 -2.871 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001283828119 788500564 /nfs/dbraw/zinc/50/05/64/788500564.db2.gz ZDMQYCUXNFGZNY-RKDXNWHRSA-N 1 0 329.357 -2.871 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001283828132 788500280 /nfs/dbraw/zinc/50/02/80/788500280.db2.gz ZPMZSRUMDFHORS-GFCCVEGCSA-N 1 0 337.380 -1.556 20 0 EAADRO Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001283828133 788499900 /nfs/dbraw/zinc/49/99/00/788499900.db2.gz ZPMZSRUMDFHORS-LBPRGKRZSA-N 1 0 337.380 -1.556 20 0 EAADRO Cc1c[nH]cc1C(=O)NC[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O ZINC001283828152 788500609 /nfs/dbraw/zinc/50/06/09/788500609.db2.gz ZVZQFSHMDVZTDS-LLVKDONJSA-N 1 0 337.380 -1.055 20 0 EAADRO Cc1c[nH]cc1C(=O)NC[C@@H](CO)[NH2+]CCCN1C(=O)CNC1=O ZINC001283828153 788500228 /nfs/dbraw/zinc/50/02/28/788500228.db2.gz ZVZQFSHMDVZTDS-NSHDSACASA-N 1 0 337.380 -1.055 20 0 EAADRO CC[NH+](CC)CC(=O)NCCN1CCN(C(=O)CC(=O)NC)CC1 ZINC001283828664 788501916 /nfs/dbraw/zinc/50/19/16/788501916.db2.gz SJOJMGGTWYATMU-UHFFFAOYSA-N 1 0 341.456 -1.275 20 0 EAADRO NC(=O)C(=O)N1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001283829587 788501281 /nfs/dbraw/zinc/50/12/81/788501281.db2.gz UCDQMUICBRQJSD-UHFFFAOYSA-N 1 0 339.440 -1.392 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCN(CCNC(=O)C(N)=O)CC1 ZINC001283830142 788501320 /nfs/dbraw/zinc/50/13/20/788501320.db2.gz JPAHJBDJHDRANH-UHFFFAOYSA-N 1 0 329.401 -2.690 20 0 EAADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CCNC(=O)C(N)=O)CC2)C1 ZINC001283830306 788503220 /nfs/dbraw/zinc/50/32/20/788503220.db2.gz MAMGEMZGZCNRBP-GFCCVEGCSA-N 1 0 325.413 -1.926 20 0 EAADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(CCNC(=O)C(N)=O)CC2)C1 ZINC001283830309 788502886 /nfs/dbraw/zinc/50/28/86/788502886.db2.gz MAMGEMZGZCNRBP-LBPRGKRZSA-N 1 0 325.413 -1.926 20 0 EAADRO CCc1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)nn1C ZINC001283830447 788502933 /nfs/dbraw/zinc/50/29/33/788502933.db2.gz CDNVQEBJAOPGTD-GXSJLCMTSA-N 1 0 337.380 -1.532 20 0 EAADRO CCc1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)nn1C ZINC001283830448 788503367 /nfs/dbraw/zinc/50/33/67/788503367.db2.gz CDNVQEBJAOPGTD-KOLCDFICSA-N 1 0 337.380 -1.532 20 0 EAADRO CCc1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)nn1C ZINC001283830449 788502596 /nfs/dbraw/zinc/50/25/96/788502596.db2.gz CDNVQEBJAOPGTD-MWLCHTKSSA-N 1 0 337.380 -1.532 20 0 EAADRO CCc1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)nn1C ZINC001283830450 788502698 /nfs/dbraw/zinc/50/26/98/788502698.db2.gz CDNVQEBJAOPGTD-ONGXEEELSA-N 1 0 337.380 -1.532 20 0 EAADRO C[NH+](C)CCC(=O)N1CCN(CCNC(=O)C2(C(N)=O)CC2)CC1 ZINC001283830595 788503127 /nfs/dbraw/zinc/50/31/27/788503127.db2.gz OGFDQNFSJOWGEH-UHFFFAOYSA-N 1 0 339.440 -1.536 20 0 EAADRO NC(=O)CC(=O)N1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001283830786 788503647 /nfs/dbraw/zinc/50/36/47/788503647.db2.gz UAHCVZGWQWOEAJ-UHFFFAOYSA-N 1 0 337.424 -1.782 20 0 EAADRO Cn1cc(C(=O)NC[C@H](CO)[NH2+]CCOC2CCC2)n(C)c1=O ZINC001283830865 788503278 /nfs/dbraw/zinc/50/32/78/788503278.db2.gz HJYCYVXSUGRYOE-LLVKDONJSA-N 1 0 326.397 -1.027 20 0 EAADRO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]CCOC2CCC2)n(C)c1=O ZINC001283830866 788502985 /nfs/dbraw/zinc/50/29/85/788502985.db2.gz HJYCYVXSUGRYOE-NSHDSACASA-N 1 0 326.397 -1.027 20 0 EAADRO CC[C@H](C(=O)NCCN1CCN(C(=O)CC(N)=O)CC1)[NH+](C)C ZINC001283831194 788503195 /nfs/dbraw/zinc/50/31/95/788503195.db2.gz YXFKBPSEEYVRQZ-GFCCVEGCSA-N 1 0 327.429 -1.538 20 0 EAADRO CC[C@@H](C(=O)NCCN1CCN(C(=O)CC(N)=O)CC1)[NH+](C)C ZINC001283831195 788503618 /nfs/dbraw/zinc/50/36/18/788503618.db2.gz YXFKBPSEEYVRQZ-LBPRGKRZSA-N 1 0 327.429 -1.538 20 0 EAADRO C[C@H]1C[C@@H](C(=O)NCCN2CCN(C(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001283831600 788503331 /nfs/dbraw/zinc/50/33/31/788503331.db2.gz XNMYVSSXBRKWQJ-STQMWFEESA-N 1 0 339.440 -1.538 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001283832981 788504111 /nfs/dbraw/zinc/50/41/11/788504111.db2.gz ZGXQNAQDTWMNQZ-UONOGXRCSA-N 1 0 340.424 -1.410 20 0 EAADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001283832982 788503891 /nfs/dbraw/zinc/50/38/91/788503891.db2.gz ZGXQNAQDTWMNQZ-ZIAGYGMSSA-N 1 0 340.424 -1.410 20 0 EAADRO C[NH+](C)CCC(=O)N1CCN(CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001283834523 788504971 /nfs/dbraw/zinc/50/49/71/788504971.db2.gz NVOBHAVBHMGUOS-CYBMUJFWSA-N 1 0 339.440 -1.665 20 0 EAADRO C[NH+](C)CCC(=O)N1CCN(CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001283834525 788504145 /nfs/dbraw/zinc/50/41/45/788504145.db2.gz NVOBHAVBHMGUOS-ZDUSSCGKSA-N 1 0 339.440 -1.665 20 0 EAADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCN1CCN(C(=O)C(N)=O)CC1 ZINC001283835951 788504042 /nfs/dbraw/zinc/50/40/42/788504042.db2.gz YEBQOENXEKWSMP-LBPRGKRZSA-N 1 0 325.413 -1.784 20 0 EAADRO CC[N@H+](C)CCC(=O)NCCN1CCN(C(=O)CC(=O)NC)CC1 ZINC001283837062 788504741 /nfs/dbraw/zinc/50/47/41/788504741.db2.gz SFLWUNOFXWHSOI-UHFFFAOYSA-N 1 0 341.456 -1.275 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001283839554 788504175 /nfs/dbraw/zinc/50/41/75/788504175.db2.gz AGXXAIVLXGQLBO-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001283839555 788505009 /nfs/dbraw/zinc/50/50/09/788505009.db2.gz AGXXAIVLXGQLBO-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001283839556 788504673 /nfs/dbraw/zinc/50/46/73/788504673.db2.gz AGXXAIVLXGQLBO-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001283839557 788504453 /nfs/dbraw/zinc/50/44/53/788504453.db2.gz AGXXAIVLXGQLBO-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001283840915 788504893 /nfs/dbraw/zinc/50/48/93/788504893.db2.gz HUCYMYGDHMNXFL-NEPJUHHUSA-N 1 0 339.400 -1.595 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001283840917 788504656 /nfs/dbraw/zinc/50/46/56/788504656.db2.gz HUCYMYGDHMNXFL-NWDGAFQWSA-N 1 0 339.400 -1.595 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001283840919 788504212 /nfs/dbraw/zinc/50/42/12/788504212.db2.gz HUCYMYGDHMNXFL-RYUDHWBXSA-N 1 0 339.400 -1.595 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001283840921 788504580 /nfs/dbraw/zinc/50/45/80/788504580.db2.gz HUCYMYGDHMNXFL-VXGBXAGGSA-N 1 0 339.400 -1.595 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001283841013 788504526 /nfs/dbraw/zinc/50/45/26/788504526.db2.gz IKFOMWLDDPIUAK-BXUZGUMPSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001283841014 788504314 /nfs/dbraw/zinc/50/43/14/788504314.db2.gz IKFOMWLDDPIUAK-FZMZJTMJSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001283841015 788504759 /nfs/dbraw/zinc/50/47/59/788504759.db2.gz IKFOMWLDDPIUAK-RISCZKNCSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001283841016 788504883 /nfs/dbraw/zinc/50/48/83/788504883.db2.gz IKFOMWLDDPIUAK-SMDDNHRTSA-N 1 0 328.413 -1.146 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001283841581 788506216 /nfs/dbraw/zinc/50/62/16/788506216.db2.gz KWPPKZFZAASRHV-GHMZBOCLSA-N 1 0 342.396 -2.027 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001283841584 788505770 /nfs/dbraw/zinc/50/57/70/788505770.db2.gz KWPPKZFZAASRHV-MNOVXSKESA-N 1 0 342.396 -2.027 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001283841586 788506126 /nfs/dbraw/zinc/50/61/26/788506126.db2.gz KWPPKZFZAASRHV-QWRGUYRKSA-N 1 0 342.396 -2.027 20 0 EAADRO CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001283841589 788505616 /nfs/dbraw/zinc/50/56/16/788505616.db2.gz KWPPKZFZAASRHV-WDEREUQCSA-N 1 0 342.396 -2.027 20 0 EAADRO Cn1cc(CC[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC(=O)NC2=O)cn1 ZINC001283843569 788505838 /nfs/dbraw/zinc/50/58/38/788505838.db2.gz WFIHIEOVHHWDJI-NEPJUHHUSA-N 1 0 337.380 -1.918 20 0 EAADRO Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC(=O)NC2=O)cn1 ZINC001283843570 788505858 /nfs/dbraw/zinc/50/58/58/788505858.db2.gz WFIHIEOVHHWDJI-NWDGAFQWSA-N 1 0 337.380 -1.918 20 0 EAADRO Cn1cc(CC[NH2+][C@H](CO)CNC(=O)C[C@H]2CC(=O)NC2=O)cn1 ZINC001283843571 788506199 /nfs/dbraw/zinc/50/61/99/788506199.db2.gz WFIHIEOVHHWDJI-RYUDHWBXSA-N 1 0 337.380 -1.918 20 0 EAADRO Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC(=O)NC2=O)cn1 ZINC001283843572 788505951 /nfs/dbraw/zinc/50/59/51/788505951.db2.gz WFIHIEOVHHWDJI-VXGBXAGGSA-N 1 0 337.380 -1.918 20 0 EAADRO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](NC(=O)CC(N)=O)C2)cn1 ZINC001283847205 788505715 /nfs/dbraw/zinc/50/57/15/788505715.db2.gz FSLBPJGGLITRHE-GFCCVEGCSA-N 1 0 336.396 -1.349 20 0 EAADRO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)cn1 ZINC001283847206 788506152 /nfs/dbraw/zinc/50/61/52/788506152.db2.gz FSLBPJGGLITRHE-LBPRGKRZSA-N 1 0 336.396 -1.349 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001283848006 788506184 /nfs/dbraw/zinc/50/61/84/788506184.db2.gz SYUNMHJUPYJLGM-NXEZZACHSA-N 1 0 341.368 -1.527 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001283848007 788505701 /nfs/dbraw/zinc/50/57/01/788505701.db2.gz SYUNMHJUPYJLGM-VHSXEESVSA-N 1 0 341.368 -1.527 20 0 EAADRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001283848008 788505797 /nfs/dbraw/zinc/50/57/97/788505797.db2.gz SYUNMHJUPYJLGM-ZJUUUORDSA-N 1 0 341.368 -1.527 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001283854764 788507458 /nfs/dbraw/zinc/50/74/58/788507458.db2.gz DJGMXUBLPGEGCX-GHMZBOCLSA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001283854765 788507628 /nfs/dbraw/zinc/50/76/28/788507628.db2.gz DJGMXUBLPGEGCX-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001283854766 788507381 /nfs/dbraw/zinc/50/73/81/788507381.db2.gz DJGMXUBLPGEGCX-QWRGUYRKSA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001283854767 788507465 /nfs/dbraw/zinc/50/74/65/788507465.db2.gz DJGMXUBLPGEGCX-WDEREUQCSA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001283858821 788506998 /nfs/dbraw/zinc/50/69/98/788506998.db2.gz ROHLZHGPRNHVMK-QWRGUYRKSA-N 1 0 329.401 -1.662 20 0 EAADRO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001283858822 788507491 /nfs/dbraw/zinc/50/74/91/788507491.db2.gz ROHLZHGPRNHVMK-WDEREUQCSA-N 1 0 329.401 -1.662 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCOCC1 ZINC001283858971 788507031 /nfs/dbraw/zinc/50/70/31/788507031.db2.gz BDGYZWJPKFBQSG-CHWSQXEVSA-N 1 0 348.469 -1.553 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCOCC1 ZINC001283858972 788507485 /nfs/dbraw/zinc/50/74/85/788507485.db2.gz BDGYZWJPKFBQSG-OLZOCXBDSA-N 1 0 348.469 -1.553 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCOCC1 ZINC001283858973 788507768 /nfs/dbraw/zinc/50/77/68/788507768.db2.gz BDGYZWJPKFBQSG-QWHCGFSZSA-N 1 0 348.469 -1.553 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCn1ccnn1 ZINC001283860978 788506984 /nfs/dbraw/zinc/50/69/84/788506984.db2.gz MNIUZLNQFQGSLH-NEPJUHHUSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCn1ccnn1 ZINC001283860981 788507253 /nfs/dbraw/zinc/50/72/53/788507253.db2.gz MNIUZLNQFQGSLH-NWDGAFQWSA-N 1 0 344.441 -1.204 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCn1ccnn1 ZINC001283860983 788507760 /nfs/dbraw/zinc/50/77/60/788507760.db2.gz MNIUZLNQFQGSLH-VXGBXAGGSA-N 1 0 344.441 -1.204 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001283861205 788507723 /nfs/dbraw/zinc/50/77/23/788507723.db2.gz OJGAKOQNBXMDGH-NEPJUHHUSA-N 1 0 348.469 -1.017 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001283861206 788507336 /nfs/dbraw/zinc/50/73/36/788507336.db2.gz OJGAKOQNBXMDGH-NWDGAFQWSA-N 1 0 348.469 -1.017 20 0 EAADRO CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001283861207 788507146 /nfs/dbraw/zinc/50/71/46/788507146.db2.gz OJGAKOQNBXMDGH-VXGBXAGGSA-N 1 0 348.469 -1.017 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001283864978 788506913 /nfs/dbraw/zinc/50/69/13/788506913.db2.gz MJDKWWDUOVGEHH-GFCCVEGCSA-N 1 0 347.437 -1.674 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001283864981 788507090 /nfs/dbraw/zinc/50/70/90/788507090.db2.gz MJDKWWDUOVGEHH-LBPRGKRZSA-N 1 0 347.437 -1.674 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cn(C)nn1 ZINC001283868164 788508391 /nfs/dbraw/zinc/50/83/91/788508391.db2.gz JNAKCJHMCYJNHZ-GHMZBOCLSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cn(C)nn1 ZINC001283868166 788508492 /nfs/dbraw/zinc/50/84/92/788508492.db2.gz JNAKCJHMCYJNHZ-MNOVXSKESA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cn(C)nn1 ZINC001283868168 788509057 /nfs/dbraw/zinc/50/90/57/788509057.db2.gz JNAKCJHMCYJNHZ-WDEREUQCSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1ncn(C)n1 ZINC001283868641 788508804 /nfs/dbraw/zinc/50/88/04/788508804.db2.gz NEODVQRTONFKGA-GHMZBOCLSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1ncn(C)n1 ZINC001283868642 788508717 /nfs/dbraw/zinc/50/87/17/788508717.db2.gz NEODVQRTONFKGA-MNOVXSKESA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1ncn(C)n1 ZINC001283868643 788508757 /nfs/dbraw/zinc/50/87/57/788508757.db2.gz NEODVQRTONFKGA-WDEREUQCSA-N 1 0 349.395 -1.050 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H]1C ZINC001283868644 788508709 /nfs/dbraw/zinc/50/87/09/788508709.db2.gz NEXUZDOVRZGKGN-GHMZBOCLSA-N 1 0 345.429 -1.809 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@@H]1C ZINC001283868648 788508229 /nfs/dbraw/zinc/50/82/29/788508229.db2.gz NEXUZDOVRZGKGN-MNOVXSKESA-N 1 0 345.429 -1.809 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001283868649 788508221 /nfs/dbraw/zinc/50/82/21/788508221.db2.gz NEXUZDOVRZGKGN-WDEREUQCSA-N 1 0 345.429 -1.809 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001283875067 788510335 /nfs/dbraw/zinc/51/03/35/788510335.db2.gz KXHUYDMIBUIGIB-LLVKDONJSA-N 1 0 326.397 -1.453 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001283875068 788509384 /nfs/dbraw/zinc/50/93/84/788509384.db2.gz KXHUYDMIBUIGIB-NSHDSACASA-N 1 0 326.397 -1.453 20 0 EAADRO C[C@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)S(C)(=O)=O ZINC001283879046 788510301 /nfs/dbraw/zinc/51/03/01/788510301.db2.gz TWIFAFWOXPLOMJ-NEPJUHHUSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)S(C)(=O)=O ZINC001283879049 788509602 /nfs/dbraw/zinc/50/96/02/788509602.db2.gz TWIFAFWOXPLOMJ-NWDGAFQWSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)S(C)(=O)=O ZINC001283879052 788510254 /nfs/dbraw/zinc/51/02/54/788510254.db2.gz TWIFAFWOXPLOMJ-RYUDHWBXSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)S(C)(=O)=O ZINC001283879055 785302591 /nfs/dbraw/zinc/30/25/91/785302591.db2.gz TWIFAFWOXPLOMJ-VXGBXAGGSA-N 1 0 349.453 -1.285 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC001283879684 788509447 /nfs/dbraw/zinc/50/94/47/788509447.db2.gz CRRKCHMJCWLLKV-CHWSQXEVSA-N 1 0 349.453 -1.390 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC001283879686 788510328 /nfs/dbraw/zinc/51/03/28/788510328.db2.gz CRRKCHMJCWLLKV-OLZOCXBDSA-N 1 0 349.453 -1.390 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC001283879688 788510171 /nfs/dbraw/zinc/51/01/71/788510171.db2.gz CRRKCHMJCWLLKV-QWHCGFSZSA-N 1 0 349.453 -1.390 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001283880014 788510348 /nfs/dbraw/zinc/51/03/48/788510348.db2.gz FGAXBWMTGRXEQW-GHMZBOCLSA-N 1 0 349.457 -1.566 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001283880020 788509488 /nfs/dbraw/zinc/50/94/88/788509488.db2.gz FGAXBWMTGRXEQW-MNOVXSKESA-N 1 0 349.457 -1.566 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001283880023 788509894 /nfs/dbraw/zinc/50/98/94/788509894.db2.gz FGAXBWMTGRXEQW-WDEREUQCSA-N 1 0 349.457 -1.566 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001283883171 788511049 /nfs/dbraw/zinc/51/10/49/788511049.db2.gz AJIWBLVPRDAWOD-NXEZZACHSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001283883172 788511456 /nfs/dbraw/zinc/51/14/56/788511456.db2.gz AJIWBLVPRDAWOD-VHSXEESVSA-N 1 0 335.368 -1.061 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)c1cn[nH]n1 ZINC001283883173 788511002 /nfs/dbraw/zinc/51/10/02/788511002.db2.gz AJIWBLVPRDAWOD-ZJUUUORDSA-N 1 0 335.368 -1.061 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@@H]1C ZINC001283885795 788511342 /nfs/dbraw/zinc/51/13/42/788511342.db2.gz RJJOWNNCXCGFEE-HTQZYQBOSA-N 1 0 349.338 -1.598 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H]1C ZINC001283885797 788510918 /nfs/dbraw/zinc/51/09/18/788510918.db2.gz RJJOWNNCXCGFEE-JGVFFNPUSA-N 1 0 349.338 -1.598 20 0 EAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(F)F)[C@@H]1C ZINC001283885799 788511024 /nfs/dbraw/zinc/51/10/24/788511024.db2.gz RJJOWNNCXCGFEE-SFYZADRCSA-N 1 0 349.338 -1.598 20 0 EAADRO CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)NC1=O ZINC001283885975 788510834 /nfs/dbraw/zinc/51/08/34/788510834.db2.gz FHJPMUAMMLUWOA-NEPJUHHUSA-N 1 0 341.412 -1.695 20 0 EAADRO CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)NC1=O ZINC001283885976 788511115 /nfs/dbraw/zinc/51/11/15/788511115.db2.gz FHJPMUAMMLUWOA-NWDGAFQWSA-N 1 0 341.412 -1.695 20 0 EAADRO CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)NC1=O ZINC001283885977 788511183 /nfs/dbraw/zinc/51/11/83/788511183.db2.gz FHJPMUAMMLUWOA-RYUDHWBXSA-N 1 0 341.412 -1.695 20 0 EAADRO CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)NC1=O ZINC001283885978 788510844 /nfs/dbraw/zinc/51/08/44/788510844.db2.gz FHJPMUAMMLUWOA-VXGBXAGGSA-N 1 0 341.412 -1.695 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001283896921 788511857 /nfs/dbraw/zinc/51/18/57/788511857.db2.gz BBGVDQWWBGDYEE-NXEZZACHSA-N 1 0 345.425 -1.133 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001283896922 788512267 /nfs/dbraw/zinc/51/22/67/788512267.db2.gz BBGVDQWWBGDYEE-VHSXEESVSA-N 1 0 345.425 -1.133 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001283896923 788512773 /nfs/dbraw/zinc/51/27/73/788512773.db2.gz BBGVDQWWBGDYEE-ZJUUUORDSA-N 1 0 345.425 -1.133 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CCn1ncn(C)c1=O ZINC001283905032 788512237 /nfs/dbraw/zinc/51/22/37/788512237.db2.gz IDLBNCICEKCAEQ-CHWSQXEVSA-N 1 0 341.412 -1.440 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CCn1ncn(C)c1=O ZINC001283905033 788512248 /nfs/dbraw/zinc/51/22/48/788512248.db2.gz IDLBNCICEKCAEQ-OLZOCXBDSA-N 1 0 341.412 -1.440 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CCn1ncn(C)c1=O ZINC001283905034 788512620 /nfs/dbraw/zinc/51/26/20/788512620.db2.gz IDLBNCICEKCAEQ-QWHCGFSZSA-N 1 0 341.412 -1.440 20 0 EAADRO COCCOCC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC001283905533 788511924 /nfs/dbraw/zinc/51/19/24/788511924.db2.gz KLHYFTHFKVQLER-KGLIPLIRSA-N 1 0 342.440 -1.340 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001283905535 788512675 /nfs/dbraw/zinc/51/26/75/788512675.db2.gz KLHYFTHFKVQLER-UONOGXRCSA-N 1 0 342.440 -1.340 20 0 EAADRO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC001283905537 788511811 /nfs/dbraw/zinc/51/18/11/788511811.db2.gz KLHYFTHFKVQLER-ZIAGYGMSSA-N 1 0 342.440 -1.340 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)[C@@H]1C ZINC001283913157 788514008 /nfs/dbraw/zinc/51/40/08/788514008.db2.gz IUNQHVHIXSBPKF-GHMZBOCLSA-N 1 0 344.441 -1.053 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@@H]1C ZINC001283913225 788514043 /nfs/dbraw/zinc/51/40/43/788514043.db2.gz IUNQHVHIXSBPKF-MNOVXSKESA-N 1 0 344.441 -1.053 20 0 EAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001283913226 788513608 /nfs/dbraw/zinc/51/36/08/788513608.db2.gz IUNQHVHIXSBPKF-WDEREUQCSA-N 1 0 344.441 -1.053 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C ZINC001283913491 788513920 /nfs/dbraw/zinc/51/39/20/788513920.db2.gz NCSSEYMCNDLKGR-GHMZBOCLSA-N 1 0 337.380 -1.748 20 0 EAADRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C ZINC001283913492 788514025 /nfs/dbraw/zinc/51/40/25/788514025.db2.gz NCSSEYMCNDLKGR-MNOVXSKESA-N 1 0 337.380 -1.748 20 0 EAADRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C ZINC001283913493 788513291 /nfs/dbraw/zinc/51/32/91/788513291.db2.gz NCSSEYMCNDLKGR-WDEREUQCSA-N 1 0 337.380 -1.748 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001283921372 788513096 /nfs/dbraw/zinc/51/30/96/788513096.db2.gz CZOMQRLEQJDPSD-GHMZBOCLSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001283921377 788513617 /nfs/dbraw/zinc/51/36/17/788513617.db2.gz CZOMQRLEQJDPSD-MNOVXSKESA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1nnc[nH]1 ZINC001283921379 788513000 /nfs/dbraw/zinc/51/30/00/788513000.db2.gz CZOMQRLEQJDPSD-WDEREUQCSA-N 1 0 349.395 -1.132 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001283921670 788513032 /nfs/dbraw/zinc/51/30/32/788513032.db2.gz DJQOQXHLHAANRK-NEPJUHHUSA-N 1 0 342.396 -1.532 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001283921672 788513938 /nfs/dbraw/zinc/51/39/38/788513938.db2.gz DJQOQXHLHAANRK-NWDGAFQWSA-N 1 0 342.396 -1.532 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001283921673 788513681 /nfs/dbraw/zinc/51/36/81/788513681.db2.gz DJQOQXHLHAANRK-VXGBXAGGSA-N 1 0 342.396 -1.532 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cn1cncn1 ZINC001283925077 788513807 /nfs/dbraw/zinc/51/38/07/788513807.db2.gz BLCPSINITDJWLW-NEPJUHHUSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cn1cncn1 ZINC001283925078 788513877 /nfs/dbraw/zinc/51/38/77/788513877.db2.gz BLCPSINITDJWLW-NWDGAFQWSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cn1cncn1 ZINC001283925079 788513668 /nfs/dbraw/zinc/51/36/68/788513668.db2.gz BLCPSINITDJWLW-VXGBXAGGSA-N 1 0 349.395 -1.201 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CCNC(N)=O ZINC001283926745 788513855 /nfs/dbraw/zinc/51/38/55/788513855.db2.gz KKCVKTNDXHSDEF-GHMZBOCLSA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CCNC(N)=O ZINC001283926747 788514016 /nfs/dbraw/zinc/51/40/16/788514016.db2.gz KKCVKTNDXHSDEF-MNOVXSKESA-N 1 0 339.396 -1.227 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CCNC(N)=O ZINC001283926749 788513555 /nfs/dbraw/zinc/51/35/55/788513555.db2.gz KKCVKTNDXHSDEF-WDEREUQCSA-N 1 0 339.396 -1.227 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C ZINC001283927149 788513902 /nfs/dbraw/zinc/51/39/02/788513902.db2.gz LNQZROLPHXEGMQ-NXEZZACHSA-N 1 0 325.369 -1.747 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001283927150 788513957 /nfs/dbraw/zinc/51/39/57/788513957.db2.gz LNQZROLPHXEGMQ-VHSXEESVSA-N 1 0 325.369 -1.747 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C ZINC001283927151 788513054 /nfs/dbraw/zinc/51/30/54/788513054.db2.gz LNQZROLPHXEGMQ-ZJUUUORDSA-N 1 0 325.369 -1.747 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC001283927839 788513494 /nfs/dbraw/zinc/51/34/94/788513494.db2.gz OTCMSMMZOGYIGA-GHMZBOCLSA-N 1 0 339.396 -1.405 20 0 EAADRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC001283927840 788513214 /nfs/dbraw/zinc/51/32/14/788513214.db2.gz OTCMSMMZOGYIGA-MNOVXSKESA-N 1 0 339.396 -1.405 20 0 EAADRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC001283927841 788513354 /nfs/dbraw/zinc/51/33/54/788513354.db2.gz OTCMSMMZOGYIGA-WDEREUQCSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001283938434 788515071 /nfs/dbraw/zinc/51/50/71/788515071.db2.gz IHWCUSBMMGJCLL-CMPLNLGQSA-N 1 0 340.380 -1.313 20 0 EAADRO C[C@@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001283938435 788514945 /nfs/dbraw/zinc/51/49/45/788514945.db2.gz IHWCUSBMMGJCLL-PWSUYJOCSA-N 1 0 340.380 -1.313 20 0 EAADRO C[C@@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001283938436 788514500 /nfs/dbraw/zinc/51/45/00/788514500.db2.gz IHWCUSBMMGJCLL-ZYHUDNBSSA-N 1 0 340.380 -1.313 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001283945303 788515186 /nfs/dbraw/zinc/51/51/86/788515186.db2.gz LVKKLAAJXWBIFE-CMPLNLGQSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001283945304 788515321 /nfs/dbraw/zinc/51/53/21/788515321.db2.gz LVKKLAAJXWBIFE-JQWIXIFHSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001283945305 788514955 /nfs/dbraw/zinc/51/49/55/788514955.db2.gz LVKKLAAJXWBIFE-PWSUYJOCSA-N 1 0 346.453 -1.359 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001283945306 788515498 /nfs/dbraw/zinc/51/54/98/788515498.db2.gz LVKKLAAJXWBIFE-ZYHUDNBSSA-N 1 0 346.453 -1.359 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001283947296 788515465 /nfs/dbraw/zinc/51/54/65/788515465.db2.gz LKYXEIZBHGAWGK-AAEUAGOBSA-N 1 0 328.413 -1.146 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001283947298 788514733 /nfs/dbraw/zinc/51/47/33/788514733.db2.gz LKYXEIZBHGAWGK-DGCLKSJQSA-N 1 0 328.413 -1.146 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001283947300 788514430 /nfs/dbraw/zinc/51/44/30/788514430.db2.gz LKYXEIZBHGAWGK-WCQYABFASA-N 1 0 328.413 -1.146 20 0 EAADRO CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001283947303 788514999 /nfs/dbraw/zinc/51/49/99/788514999.db2.gz LKYXEIZBHGAWGK-YPMHNXCESA-N 1 0 328.413 -1.146 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@@H](NC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001283959118 788516173 /nfs/dbraw/zinc/51/61/73/788516173.db2.gz DGZGUARIHSKPPR-LLVKDONJSA-N 1 0 339.396 -1.499 20 0 EAADRO C[NH+](C)CCC(=O)NC[C@H](NC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001283959120 788516082 /nfs/dbraw/zinc/51/60/82/788516082.db2.gz DGZGUARIHSKPPR-NSHDSACASA-N 1 0 339.396 -1.499 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001283963726 788517832 /nfs/dbraw/zinc/51/78/32/788517832.db2.gz YGQCEOUXUZWSEU-GFCCVEGCSA-N 1 0 340.424 -1.159 20 0 EAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001283963727 788517472 /nfs/dbraw/zinc/51/74/72/788517472.db2.gz YGQCEOUXUZWSEU-LBPRGKRZSA-N 1 0 340.424 -1.159 20 0 EAADRO Cc1c(C(=O)N2C[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]2C)nnn1C ZINC001283965589 788518062 /nfs/dbraw/zinc/51/80/62/788518062.db2.gz PWCGFEYYWKEHHD-GXSJLCMTSA-N 1 0 344.441 -1.135 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]2C)nnn1C ZINC001283965590 788517450 /nfs/dbraw/zinc/51/74/50/788517450.db2.gz PWCGFEYYWKEHHD-KOLCDFICSA-N 1 0 344.441 -1.135 20 0 EAADRO Cc1c(C(=O)N2C[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]2C)nnn1C ZINC001283965591 788517896 /nfs/dbraw/zinc/51/78/96/788517896.db2.gz PWCGFEYYWKEHHD-MWLCHTKSSA-N 1 0 344.441 -1.135 20 0 EAADRO Cc1c(C(=O)N2C[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]2C)nnn1C ZINC001283965592 788517510 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EAADRO C[C@@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)c1cn(C)nn1 ZINC001283967018 788517293 /nfs/dbraw/zinc/51/72/93/788517293.db2.gz HUKGHDZVWDONRX-MNOVXSKESA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)c1cn(C)nn1 ZINC001283967024 788518238 /nfs/dbraw/zinc/51/82/38/788518238.db2.gz HUKGHDZVWDONRX-QWRGUYRKSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)c1cn(C)nn1 ZINC001283967028 788517933 /nfs/dbraw/zinc/51/79/33/788517933.db2.gz HUKGHDZVWDONRX-WDEREUQCSA-N 1 0 349.395 -1.050 20 0 EAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1ncn(C)n1 ZINC001283969964 785330395 /nfs/dbraw/zinc/33/03/95/785330395.db2.gz RAHWAMXNKOPMSX-NXEZZACHSA-N 1 0 330.414 -1.443 20 0 EAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1ncn(C)n1 ZINC001283969965 785331893 /nfs/dbraw/zinc/33/18/93/785331893.db2.gz RAHWAMXNKOPMSX-UWVGGRQHSA-N 1 0 330.414 -1.443 20 0 EAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1ncn(C)n1 ZINC001283969966 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338.408 -1.046 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1(C)C ZINC001284347235 788547405 /nfs/dbraw/zinc/54/74/05/788547405.db2.gz DRSHSYHXSOYGHB-QWRGUYRKSA-N 1 0 338.408 -1.046 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1(C)C ZINC001284347238 788547242 /nfs/dbraw/zinc/54/72/42/788547242.db2.gz DRSHSYHXSOYGHB-WDEREUQCSA-N 1 0 338.408 -1.046 20 0 EAADRO CN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC1(C)C ZINC001284348365 788547843 /nfs/dbraw/zinc/54/78/43/788547843.db2.gz SEQPAIZETNIYFX-JTQLQIEISA-N 1 0 339.396 -1.547 20 0 EAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC1(C)C ZINC001284348368 788547862 /nfs/dbraw/zinc/54/78/62/788547862.db2.gz SEQPAIZETNIYFX-SNVBAGLBSA-N 1 0 339.396 -1.547 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001284364203 788548903 /nfs/dbraw/zinc/54/89/03/788548903.db2.gz ZDVQPLQNAQYRHI-NEPJUHHUSA-N 1 0 326.397 -1.595 20 0 EAADRO 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NC(=O)C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@@H](C(F)(F)F)C1 ZINC001284377679 788551790 /nfs/dbraw/zinc/55/17/90/788551790.db2.gz YVKDWKDULUGEJI-BDAKNGLRSA-N 1 0 334.302 -1.010 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C[NH2+]CCn2cncn2)[C@H](C(F)(F)F)C1 ZINC001284377680 788550947 /nfs/dbraw/zinc/55/09/47/788550947.db2.gz YVKDWKDULUGEJI-DTWKUNHWSA-N 1 0 334.302 -1.010 20 0 EAADRO NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001284377681 788551621 /nfs/dbraw/zinc/55/16/21/788551621.db2.gz YVKDWKDULUGEJI-IUCAKERBSA-N 1 0 334.302 -1.010 20 0 EAADRO NC(=O)C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C(F)(F)F)C1 ZINC001284377682 788551459 /nfs/dbraw/zinc/55/14/59/788551459.db2.gz YVKDWKDULUGEJI-RKDXNWHRSA-N 1 0 334.302 -1.010 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cnccn1 ZINC001284377916 788550991 /nfs/dbraw/zinc/55/09/91/788550991.db2.gz BZHOOXHOEXYYIO-JTQLQIEISA-N 1 0 336.352 -1.949 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cnccn1 ZINC001284377956 788551855 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ZINC001284380595 788551253 /nfs/dbraw/zinc/55/12/53/788551253.db2.gz JNAMBNOWHKYBOK-NEPJUHHUSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001284380597 788551714 /nfs/dbraw/zinc/55/17/14/788551714.db2.gz JNAMBNOWHKYBOK-NWDGAFQWSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001284380599 788551399 /nfs/dbraw/zinc/55/13/99/788551399.db2.gz JNAMBNOWHKYBOK-RYUDHWBXSA-N 1 0 326.397 -1.595 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001284380601 788550877 /nfs/dbraw/zinc/55/08/77/788550877.db2.gz JNAMBNOWHKYBOK-VXGBXAGGSA-N 1 0 326.397 -1.595 20 0 EAADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001284382570 788551735 /nfs/dbraw/zinc/55/17/35/788551735.db2.gz YTYQERICKWAPSD-GFCCVEGCSA-N 1 0 345.444 -1.371 20 0 EAADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001284382571 788551817 /nfs/dbraw/zinc/55/18/17/788551817.db2.gz YTYQERICKWAPSD-LBPRGKRZSA-N 1 0 345.444 -1.371 20 0 EAADRO CC(C)=CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001284382704 788551780 /nfs/dbraw/zinc/55/17/80/788551780.db2.gz ZNOONLFBMCRXFD-GFCCVEGCSA-N 1 0 326.397 -1.680 20 0 EAADRO CC(C)=CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001284382705 788551290 /nfs/dbraw/zinc/55/12/90/788551290.db2.gz ZNOONLFBMCRXFD-LBPRGKRZSA-N 1 0 326.397 -1.680 20 0 EAADRO Cc1ncncc1C(=O)N(C)C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001284384768 788551595 /nfs/dbraw/zinc/55/15/95/788551595.db2.gz DFQSSCLXTUMFRI-GFCCVEGCSA-N 1 0 349.391 -1.043 20 0 EAADRO Cc1ncncc1C(=O)N(C)C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001284384769 788551811 /nfs/dbraw/zinc/55/18/11/788551811.db2.gz DFQSSCLXTUMFRI-LBPRGKRZSA-N 1 0 349.391 -1.043 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001284385017 788551339 /nfs/dbraw/zinc/55/13/39/788551339.db2.gz DYYIQRMQBMIEHS-AWEZNQCLSA-N 1 0 325.413 -1.150 20 0 EAADRO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001284385019 788551211 /nfs/dbraw/zinc/55/12/11/788551211.db2.gz DYYIQRMQBMIEHS-CQSZACIVSA-N 1 0 325.413 -1.150 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001284385193 788551393 /nfs/dbraw/zinc/55/13/93/788551393.db2.gz DNYVSTGZLBOXSA-NEPJUHHUSA-N 1 0 338.408 -1.044 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001284385201 788551374 /nfs/dbraw/zinc/55/13/74/788551374.db2.gz DNYVSTGZLBOXSA-NWDGAFQWSA-N 1 0 338.408 -1.044 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001284385209 788550843 /nfs/dbraw/zinc/55/08/43/788550843.db2.gz DNYVSTGZLBOXSA-RYUDHWBXSA-N 1 0 338.408 -1.044 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001284385214 788550919 /nfs/dbraw/zinc/55/09/19/788550919.db2.gz DNYVSTGZLBOXSA-VXGBXAGGSA-N 1 0 338.408 -1.044 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)CS(C)(=O)=O ZINC001284385849 788550894 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337.380 -1.444 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)COCC1CC1 ZINC001284389346 788552956 /nfs/dbraw/zinc/55/29/56/788552956.db2.gz RAVFMLKARGLJNP-NEPJUHHUSA-N 1 0 327.381 -1.373 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)COCC1CC1 ZINC001284389355 788552219 /nfs/dbraw/zinc/55/22/19/788552219.db2.gz RAVFMLKARGLJNP-NWDGAFQWSA-N 1 0 327.381 -1.373 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)COCC1CC1 ZINC001284389360 788552838 /nfs/dbraw/zinc/55/28/38/788552838.db2.gz RAVFMLKARGLJNP-RYUDHWBXSA-N 1 0 327.381 -1.373 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)COCC1CC1 ZINC001284389363 788553282 /nfs/dbraw/zinc/55/32/82/788553282.db2.gz RAVFMLKARGLJNP-VXGBXAGGSA-N 1 0 327.381 -1.373 20 0 EAADRO Cc1ocnc1C(=O)N(C)C[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001284390078 788552936 /nfs/dbraw/zinc/55/29/36/788552936.db2.gz UDBMELMYGQXVJY-JTQLQIEISA-N 1 0 334.398 -1.445 20 0 EAADRO Cc1ocnc1C(=O)N(C)C[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001284390081 788553023 /nfs/dbraw/zinc/55/30/23/788553023.db2.gz UDBMELMYGQXVJY-SNVBAGLBSA-N 1 0 334.398 -1.445 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1cnsn1 ZINC001284390760 788552191 /nfs/dbraw/zinc/55/21/91/788552191.db2.gz VXRRVOGFKJDTTP-SECBINFHSA-N 1 0 328.398 -1.414 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1cnsn1 ZINC001284390767 788552903 /nfs/dbraw/zinc/55/29/03/788552903.db2.gz VXRRVOGFKJDTTP-VIFPVBQESA-N 1 0 328.398 -1.414 20 0 EAADRO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)ncn1 ZINC001284396046 788552922 /nfs/dbraw/zinc/55/29/22/788552922.db2.gz BQXHEJSZEGFRFI-GFCCVEGCSA-N 1 0 349.391 -1.043 20 0 EAADRO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)ncn1 ZINC001284396048 788552709 /nfs/dbraw/zinc/55/27/09/788552709.db2.gz BQXHEJSZEGFRFI-LBPRGKRZSA-N 1 0 349.391 -1.043 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1cnn(C)c1N ZINC001284396050 788553094 /nfs/dbraw/zinc/55/30/94/788553094.db2.gz BRVCIMKNGOLIBS-LLVKDONJSA-N 1 0 338.412 -1.353 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1cnn(C)c1N ZINC001284396052 788552872 /nfs/dbraw/zinc/55/28/72/788552872.db2.gz BRVCIMKNGOLIBS-NSHDSACASA-N 1 0 338.412 -1.353 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001284396481 788552566 /nfs/dbraw/zinc/55/25/66/788552566.db2.gz AEOKNMJIDJBNTE-GHMZBOCLSA-N 1 0 328.369 -1.874 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001284396482 788552997 /nfs/dbraw/zinc/55/29/97/788552997.db2.gz AEOKNMJIDJBNTE-MNOVXSKESA-N 1 0 328.369 -1.874 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001284396483 788552609 /nfs/dbraw/zinc/55/26/09/788552609.db2.gz AEOKNMJIDJBNTE-QWRGUYRKSA-N 1 0 328.369 -1.874 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001284396484 788553191 /nfs/dbraw/zinc/55/31/91/788553191.db2.gz AEOKNMJIDJBNTE-WDEREUQCSA-N 1 0 328.369 -1.874 20 0 EAADRO CCn1ncc(C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)n1 ZINC001284396503 788552571 /nfs/dbraw/zinc/55/25/71/788552571.db2.gz AMAKZBQDDGBEEA-GFCCVEGCSA-N 1 0 338.412 -1.057 20 0 EAADRO CCn1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)n1 ZINC001284396504 788552637 /nfs/dbraw/zinc/55/26/37/788552637.db2.gz AMAKZBQDDGBEEA-LBPRGKRZSA-N 1 0 338.412 -1.057 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN(C)S(C)(=O)=O)C(=O)C1=CCOCC1 ZINC001284396670 788552463 /nfs/dbraw/zinc/55/24/63/788552463.db2.gz DMFNTSZHGGAINI-CYBMUJFWSA-N 1 0 349.453 -1.367 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN(C)S(C)(=O)=O)C(=O)C1=CCOCC1 ZINC001284396674 788552974 /nfs/dbraw/zinc/55/29/74/788552974.db2.gz DMFNTSZHGGAINI-ZDUSSCGKSA-N 1 0 349.453 -1.367 20 0 EAADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCNC1=O)n1cncn1 ZINC001284396727 788552692 /nfs/dbraw/zinc/55/26/92/788552692.db2.gz DYNMPPQXTSUHHN-NEPJUHHUSA-N 1 0 339.400 -1.727 20 0 EAADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCNC1=O)n1cncn1 ZINC001284396731 788552930 /nfs/dbraw/zinc/55/29/30/788552930.db2.gz DYNMPPQXTSUHHN-NWDGAFQWSA-N 1 0 339.400 -1.727 20 0 EAADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCNC1=O)n1cncn1 ZINC001284396734 788552293 /nfs/dbraw/zinc/55/22/93/788552293.db2.gz DYNMPPQXTSUHHN-RYUDHWBXSA-N 1 0 339.400 -1.727 20 0 EAADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCNC1=O)n1cncn1 ZINC001284396736 788553111 /nfs/dbraw/zinc/55/31/11/788553111.db2.gz DYNMPPQXTSUHHN-VXGBXAGGSA-N 1 0 339.400 -1.727 20 0 EAADRO COc1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC(N)=O)c(C)n1 ZINC001284397005 788552132 /nfs/dbraw/zinc/55/21/32/788552132.db2.gz BEESVHXZVVSNBM-LLVKDONJSA-N 1 0 325.369 -1.422 20 0 EAADRO COc1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)CC(N)=O)c(C)n1 ZINC001284397008 788552857 /nfs/dbraw/zinc/55/28/57/788552857.db2.gz BEESVHXZVVSNBM-NSHDSACASA-N 1 0 325.369 -1.422 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001284397105 788552477 /nfs/dbraw/zinc/55/24/77/788552477.db2.gz BPDWNOZCMGAIFC-KBPBESRZSA-N 1 0 342.440 -1.652 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001284397108 788552305 /nfs/dbraw/zinc/55/23/05/788552305.db2.gz BPDWNOZCMGAIFC-KGLIPLIRSA-N 1 0 342.440 -1.652 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001284397111 788552508 /nfs/dbraw/zinc/55/25/08/788552508.db2.gz BPDWNOZCMGAIFC-UONOGXRCSA-N 1 0 342.440 -1.652 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001284397113 788552585 /nfs/dbraw/zinc/55/25/85/788552585.db2.gz BPDWNOZCMGAIFC-ZIAGYGMSSA-N 1 0 342.440 -1.652 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(=O)CC(N)=O ZINC001284397119 788552791 /nfs/dbraw/zinc/55/27/91/788552791.db2.gz BSZQFBDMNFICSB-GHMZBOCLSA-N 1 0 328.413 -1.330 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(=O)CC(N)=O ZINC001284397126 788552499 /nfs/dbraw/zinc/55/24/99/788552499.db2.gz BSZQFBDMNFICSB-MNOVXSKESA-N 1 0 328.413 -1.330 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(=O)CC(N)=O ZINC001284397128 788552410 /nfs/dbraw/zinc/55/24/10/788552410.db2.gz BSZQFBDMNFICSB-QWRGUYRKSA-N 1 0 328.413 -1.330 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(=O)CC(N)=O ZINC001284397131 788552615 /nfs/dbraw/zinc/55/26/15/788552615.db2.gz BSZQFBDMNFICSB-WDEREUQCSA-N 1 0 328.413 -1.330 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ncn(C)n1 ZINC001284397306 788552830 /nfs/dbraw/zinc/55/28/30/788552830.db2.gz CHJMSGCGTAYDCL-SECBINFHSA-N 1 0 339.356 -2.611 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ncn(C)n1 ZINC001284397313 788552380 /nfs/dbraw/zinc/55/23/80/788552380.db2.gz CHJMSGCGTAYDCL-VIFPVBQESA-N 1 0 339.356 -2.611 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)CC1OCCCO1 ZINC001284397441 788553216 /nfs/dbraw/zinc/55/32/16/788553216.db2.gz GJLDONFJVIDQOD-GFCCVEGCSA-N 1 0 327.385 -1.160 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)CC1OCCCO1 ZINC001284397443 788552389 /nfs/dbraw/zinc/55/23/89/788552389.db2.gz GJLDONFJVIDQOD-LBPRGKRZSA-N 1 0 327.385 -1.160 20 0 EAADRO Cc1ccnc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001284398050 788552327 /nfs/dbraw/zinc/55/23/27/788552327.db2.gz FEPPXMDAGHSVCU-GHMZBOCLSA-N 1 0 335.364 -1.387 20 0 EAADRO Cc1ccnc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001284398057 788552204 /nfs/dbraw/zinc/55/22/04/788552204.db2.gz FEPPXMDAGHSVCU-MNOVXSKESA-N 1 0 335.364 -1.387 20 0 EAADRO Cc1ccnc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001284398064 788552104 /nfs/dbraw/zinc/55/21/04/788552104.db2.gz FEPPXMDAGHSVCU-QWRGUYRKSA-N 1 0 335.364 -1.387 20 0 EAADRO Cc1ccnc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001284398069 788553154 /nfs/dbraw/zinc/55/31/54/788553154.db2.gz FEPPXMDAGHSVCU-WDEREUQCSA-N 1 0 335.364 -1.387 20 0 EAADRO C/C=C(/C)C(=O)N(C)C[C@H](O)C[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001284398459 788553144 /nfs/dbraw/zinc/55/31/44/788553144.db2.gz JEIKLXSMQYURER-GKADRNHJSA-N 1 0 341.408 -1.129 20 0 EAADRO C/C=C(\C)C(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001284398460 788553226 /nfs/dbraw/zinc/55/32/26/788553226.db2.gz JEIKLXSMQYURER-UDLQBDOPSA-N 1 0 341.408 -1.129 20 0 EAADRO C/C=C(\C)C(=O)N(C)C[C@H](O)C[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001284398462 788552458 /nfs/dbraw/zinc/55/24/58/788552458.db2.gz JEIKLXSMQYURER-VVBALGDRSA-N 1 0 341.408 -1.129 20 0 EAADRO C/C=C(/C)C(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001284398464 788553172 /nfs/dbraw/zinc/55/31/72/788553172.db2.gz JEIKLXSMQYURER-ZYFYVMIWSA-N 1 0 341.408 -1.129 20 0 EAADRO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)[nH]1 ZINC001284399079 788552673 /nfs/dbraw/zinc/55/26/73/788552673.db2.gz HWEKRKIQOIIDHA-GFCCVEGCSA-N 1 0 338.412 -1.313 20 0 EAADRO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)[nH]1 ZINC001284399083 788552449 /nfs/dbraw/zinc/55/24/49/788552449.db2.gz HWEKRKIQOIIDHA-LBPRGKRZSA-N 1 0 338.412 -1.313 20 0 EAADRO CCNC(=O)CCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284399138 788552351 /nfs/dbraw/zinc/55/23/51/788552351.db2.gz GTXLACQIJGMZBT-GHMZBOCLSA-N 1 0 342.396 -1.883 20 0 EAADRO CCNC(=O)CCC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284399149 788552772 /nfs/dbraw/zinc/55/27/72/788552772.db2.gz GTXLACQIJGMZBT-MNOVXSKESA-N 1 0 342.396 -1.883 20 0 EAADRO CCNC(=O)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284399151 788552744 /nfs/dbraw/zinc/55/27/44/788552744.db2.gz GTXLACQIJGMZBT-QWRGUYRKSA-N 1 0 342.396 -1.883 20 0 EAADRO CCNC(=O)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284399153 788552546 /nfs/dbraw/zinc/55/25/46/788552546.db2.gz GTXLACQIJGMZBT-WDEREUQCSA-N 1 0 342.396 -1.883 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cn(C)cn1 ZINC001284400057 788554203 /nfs/dbraw/zinc/55/42/03/788554203.db2.gz MZXXKPVRSSJTIA-JTQLQIEISA-N 1 0 338.368 -2.006 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1cn(C)cn1 ZINC001284400058 788554529 /nfs/dbraw/zinc/55/45/29/788554529.db2.gz MZXXKPVRSSJTIA-SNVBAGLBSA-N 1 0 338.368 -2.006 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCCOC1 ZINC001284400124 788553853 /nfs/dbraw/zinc/55/38/53/788553853.db2.gz IAZITAQMNKDTDN-NEPJUHHUSA-N 1 0 342.396 -1.626 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCCOC1 ZINC001284400126 788554514 /nfs/dbraw/zinc/55/45/14/788554514.db2.gz IAZITAQMNKDTDN-NWDGAFQWSA-N 1 0 342.396 -1.626 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCCOC1 ZINC001284400128 788554605 /nfs/dbraw/zinc/55/46/05/788554605.db2.gz IAZITAQMNKDTDN-RYUDHWBXSA-N 1 0 342.396 -1.626 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCCOC1 ZINC001284400130 788553684 /nfs/dbraw/zinc/55/36/84/788553684.db2.gz IAZITAQMNKDTDN-VXGBXAGGSA-N 1 0 342.396 -1.626 20 0 EAADRO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001284401083 788553925 /nfs/dbraw/zinc/55/39/25/788553925.db2.gz MQGOEZQLBMRIMS-BXUZGUMPSA-N 1 0 329.397 -1.439 20 0 EAADRO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001284401084 788553676 /nfs/dbraw/zinc/55/36/76/788553676.db2.gz MQGOEZQLBMRIMS-SMDDNHRTSA-N 1 0 329.397 -1.439 20 0 EAADRO 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/nfs/dbraw/zinc/55/37/55/788553755.db2.gz YPKFRVXIOQGGDI-WDEREUQCSA-N 1 0 337.380 -1.444 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)C(=O)C(C)(C)C ZINC001284405598 788554616 /nfs/dbraw/zinc/55/46/16/788554616.db2.gz VYTAEEXWCDFJBZ-GFCCVEGCSA-N 1 0 343.424 -1.131 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)C(=O)C(C)(C)C ZINC001284405602 788554328 /nfs/dbraw/zinc/55/43/28/788554328.db2.gz VYTAEEXWCDFJBZ-LBPRGKRZSA-N 1 0 343.424 -1.131 20 0 EAADRO Cc1[nH]nc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)c1C ZINC001284405623 788554650 /nfs/dbraw/zinc/55/46/50/788554650.db2.gz WHSOMHWTLDNCJP-GHMZBOCLSA-N 1 0 337.380 -1.146 20 0 EAADRO Cc1[nH]nc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)c1C ZINC001284405625 788554547 /nfs/dbraw/zinc/55/45/47/788554547.db2.gz WHSOMHWTLDNCJP-MNOVXSKESA-N 1 0 337.380 -1.146 20 0 EAADRO Cc1[nH]nc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)c1C ZINC001284405626 788554039 /nfs/dbraw/zinc/55/40/39/788554039.db2.gz WHSOMHWTLDNCJP-QWRGUYRKSA-N 1 0 337.380 -1.146 20 0 EAADRO Cc1[nH]nc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)c1C ZINC001284405627 788553629 /nfs/dbraw/zinc/55/36/29/788553629.db2.gz WHSOMHWTLDNCJP-WDEREUQCSA-N 1 0 337.380 -1.146 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C(=O)C(C)(C)C ZINC001284405759 788554609 /nfs/dbraw/zinc/55/46/09/788554609.db2.gz XBXDHNDJFNBGDR-NXEZZACHSA-N 1 0 327.381 -1.184 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C(=O)C(C)(C)C ZINC001284405760 788554099 /nfs/dbraw/zinc/55/40/99/788554099.db2.gz XBXDHNDJFNBGDR-UWVGGRQHSA-N 1 0 327.381 -1.184 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C(=O)C(C)(C)C ZINC001284405761 788554479 /nfs/dbraw/zinc/55/44/79/788554479.db2.gz XBXDHNDJFNBGDR-VHSXEESVSA-N 1 0 327.381 -1.184 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C(=O)C(C)(C)C ZINC001284405762 788554458 /nfs/dbraw/zinc/55/44/58/788554458.db2.gz XBXDHNDJFNBGDR-ZJUUUORDSA-N 1 0 327.381 -1.184 20 0 EAADRO 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/nfs/dbraw/zinc/55/84/45/788558445.db2.gz GRCGKPJJPFNQOL-WCQYABFASA-N 1 0 328.413 -1.012 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCOC1CCC1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001284438212 788558501 /nfs/dbraw/zinc/55/85/01/788558501.db2.gz GRCGKPJJPFNQOL-YPMHNXCESA-N 1 0 328.413 -1.012 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCNC1=O ZINC001284438235 788558557 /nfs/dbraw/zinc/55/85/57/788558557.db2.gz HAJHYHXXXWIVKA-NEPJUHHUSA-N 1 0 326.397 -1.942 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CCNC1=O ZINC001284438236 788559218 /nfs/dbraw/zinc/55/92/18/788559218.db2.gz HAJHYHXXXWIVKA-NWDGAFQWSA-N 1 0 326.397 -1.942 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCNC1=O ZINC001284438237 788559121 /nfs/dbraw/zinc/55/91/21/788559121.db2.gz HAJHYHXXXWIVKA-RYUDHWBXSA-N 1 0 326.397 -1.942 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CCNC1=O ZINC001284438238 788558053 /nfs/dbraw/zinc/55/80/53/788558053.db2.gz HAJHYHXXXWIVKA-VXGBXAGGSA-N 1 0 326.397 -1.942 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1csnn1 ZINC001284438479 788558818 /nfs/dbraw/zinc/55/88/18/788558818.db2.gz MBGMUGJKUJFEIS-SECBINFHSA-N 1 0 341.393 -1.290 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1csnn1 ZINC001284438480 788558150 /nfs/dbraw/zinc/55/81/50/788558150.db2.gz MBGMUGJKUJFEIS-VIFPVBQESA-N 1 0 341.393 -1.290 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCNC2=O)n1 ZINC001284438677 788559091 /nfs/dbraw/zinc/55/90/91/788559091.db2.gz QWMUPDMGBGRWMN-CHWSQXEVSA-N 1 0 338.412 -1.560 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCNC2=O)n1 ZINC001284438678 788558801 /nfs/dbraw/zinc/55/88/01/788558801.db2.gz QWMUPDMGBGRWMN-OLZOCXBDSA-N 1 0 338.412 -1.560 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCNC2=O)n1 ZINC001284438679 788558181 /nfs/dbraw/zinc/55/81/81/788558181.db2.gz QWMUPDMGBGRWMN-QWHCGFSZSA-N 1 0 338.412 -1.560 20 0 EAADRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCNC2=O)n1 ZINC001284438680 788558657 /nfs/dbraw/zinc/55/86/57/788558657.db2.gz QWMUPDMGBGRWMN-STQMWFEESA-N 1 0 338.412 -1.560 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC[C@@H]1CCCO1)C(=O)CN1CCNC(=O)C1 ZINC001284438741 788559026 /nfs/dbraw/zinc/55/90/26/788559026.db2.gz RVHRQNAIEAMKEN-KBPBESRZSA-N 1 0 342.440 -1.604 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC[C@@H]1CCCO1)C(=O)CN1CCNC(=O)C1 ZINC001284438742 788558669 /nfs/dbraw/zinc/55/86/69/788558669.db2.gz RVHRQNAIEAMKEN-KGLIPLIRSA-N 1 0 342.440 -1.604 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC[C@H]1CCCO1)C(=O)CN1CCNC(=O)C1 ZINC001284438743 788558222 /nfs/dbraw/zinc/55/82/22/788558222.db2.gz RVHRQNAIEAMKEN-UONOGXRCSA-N 1 0 342.440 -1.604 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC[C@H]1CCCO1)C(=O)CN1CCNC(=O)C1 ZINC001284438744 788558647 /nfs/dbraw/zinc/55/86/47/788558647.db2.gz RVHRQNAIEAMKEN-ZIAGYGMSSA-N 1 0 342.440 -1.604 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001284443109 788560406 /nfs/dbraw/zinc/56/04/06/788560406.db2.gz AJSGEWJBXDAJIQ-JTQLQIEISA-N 1 0 348.425 -1.417 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001284443112 788559749 /nfs/dbraw/zinc/55/97/49/788559749.db2.gz AJSGEWJBXDAJIQ-SNVBAGLBSA-N 1 0 348.425 -1.417 20 0 EAADRO Cc1nocc1C(=O)N(C)C[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001284443140 788560543 /nfs/dbraw/zinc/56/05/43/788560543.db2.gz APXNKOYDSQAPIM-JTQLQIEISA-N 1 0 334.398 -1.445 20 0 EAADRO Cc1nocc1C(=O)N(C)C[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001284443142 788559472 /nfs/dbraw/zinc/55/94/72/788559472.db2.gz APXNKOYDSQAPIM-SNVBAGLBSA-N 1 0 334.398 -1.445 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2(C(N)=O)CC2)C1=O ZINC001284443163 788559535 /nfs/dbraw/zinc/55/95/35/788559535.db2.gz ATNWZXXSNKRRPR-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2(C(N)=O)CC2)C1=O ZINC001284443164 788559888 /nfs/dbraw/zinc/55/98/88/788559888.db2.gz ATNWZXXSNKRRPR-MNOVXSKESA-N 1 0 326.397 -1.718 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C2(C(N)=O)CC2)C1=O ZINC001284443165 788560706 /nfs/dbraw/zinc/56/07/06/788560706.db2.gz ATNWZXXSNKRRPR-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C2(C(N)=O)CC2)C1=O ZINC001284443166 788560177 /nfs/dbraw/zinc/56/01/77/788560177.db2.gz ATNWZXXSNKRRPR-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO Cc1ccc(CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)cc1 ZINC001284443189 788560809 /nfs/dbraw/zinc/56/08/09/788560809.db2.gz BFVMJWKACWVPJM-CYBMUJFWSA-N 1 0 336.392 -1.495 20 0 EAADRO Cc1ccc(CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)cc1 ZINC001284443190 788559978 /nfs/dbraw/zinc/55/99/78/788559978.db2.gz BFVMJWKACWVPJM-ZDUSSCGKSA-N 1 0 336.392 -1.495 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCn1cnc2ccccc2c1=O)C(=O)C(N)=O ZINC001284443478 788560054 /nfs/dbraw/zinc/56/00/54/788560054.db2.gz CQHKYJYTDQNWMS-LLVKDONJSA-N 1 0 347.375 -1.709 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCn1cnc2ccccc2c1=O)C(=O)C(N)=O ZINC001284443481 788560130 /nfs/dbraw/zinc/56/01/30/788560130.db2.gz CQHKYJYTDQNWMS-NSHDSACASA-N 1 0 347.375 -1.709 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001284443719 788560488 /nfs/dbraw/zinc/56/04/88/788560488.db2.gz FDOZYVLMDYUGFE-GXSJLCMTSA-N 1 0 326.397 -1.672 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001284443720 788559618 /nfs/dbraw/zinc/55/96/18/788559618.db2.gz FDOZYVLMDYUGFE-KOLCDFICSA-N 1 0 326.397 -1.672 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001284443721 788559960 /nfs/dbraw/zinc/55/99/60/788559960.db2.gz FDOZYVLMDYUGFE-MWLCHTKSSA-N 1 0 326.397 -1.672 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001284443722 788559781 /nfs/dbraw/zinc/55/97/81/788559781.db2.gz FDOZYVLMDYUGFE-ONGXEEELSA-N 1 0 326.397 -1.672 20 0 EAADRO C[C@H](CCNC(=O)CN1CC(=O)N(C)C1=O)NC(=O)CC[NH+](C)C ZINC001284443817 788560757 /nfs/dbraw/zinc/56/07/57/788560757.db2.gz HGYSLDUMRVNFHI-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001284444035 788560820 /nfs/dbraw/zinc/56/08/20/788560820.db2.gz HFQACMZJZOCNHN-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001284444036 788560578 /nfs/dbraw/zinc/56/05/78/788560578.db2.gz HFQACMZJZOCNHN-MNOVXSKESA-N 1 0 326.397 -1.718 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001284444037 788560313 /nfs/dbraw/zinc/56/03/13/788560313.db2.gz HFQACMZJZOCNHN-QWRGUYRKSA-N 1 0 326.397 -1.718 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001284444038 788560066 /nfs/dbraw/zinc/56/00/66/788560066.db2.gz HFQACMZJZOCNHN-WDEREUQCSA-N 1 0 326.397 -1.718 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001284444606 788560772 /nfs/dbraw/zinc/56/07/72/788560772.db2.gz LNMVSKAMZIIRCN-LLVKDONJSA-N 1 0 339.396 -1.326 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001284444611 788559719 /nfs/dbraw/zinc/55/97/19/788559719.db2.gz LNMVSKAMZIIRCN-NSHDSACASA-N 1 0 339.396 -1.326 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCc2ccccc2C1)C(=O)C(N)=O ZINC001284444617 788559871 /nfs/dbraw/zinc/55/98/71/788559871.db2.gz LSQUSOTZFGKUCV-AWEZNQCLSA-N 1 0 348.403 -1.535 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCc2ccccc2C1)C(=O)C(N)=O ZINC001284444618 788560472 /nfs/dbraw/zinc/56/04/72/788560472.db2.gz LSQUSOTZFGKUCV-CQSZACIVSA-N 1 0 348.403 -1.535 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1)C(=O)C(N)=O ZINC001284444663 788560913 /nfs/dbraw/zinc/56/09/13/788560913.db2.gz MCUVFILCRQNKNC-SECBINFHSA-N 1 0 339.377 -1.850 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(=O)n2ccsc2n1)C(=O)C(N)=O ZINC001284444667 788560343 /nfs/dbraw/zinc/56/03/43/788560343.db2.gz MCUVFILCRQNKNC-VIFPVBQESA-N 1 0 339.377 -1.850 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)CC(C)(F)F ZINC001284444706 788560907 /nfs/dbraw/zinc/56/09/07/788560907.db2.gz MTIPRPGPEKFXFQ-SECBINFHSA-N 1 0 336.339 -1.008 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)CC(C)(F)F ZINC001284444707 788559687 /nfs/dbraw/zinc/55/96/87/788559687.db2.gz MTIPRPGPEKFXFQ-VIFPVBQESA-N 1 0 336.339 -1.008 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCc2ccccc21)C(=O)C(N)=O ZINC001284445001 788560280 /nfs/dbraw/zinc/56/02/80/788560280.db2.gz OTGIOSIGLSXPCJ-CYBMUJFWSA-N 1 0 348.403 -1.140 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCc2ccccc21)C(=O)C(N)=O ZINC001284445010 788560613 /nfs/dbraw/zinc/56/06/13/788560613.db2.gz OTGIOSIGLSXPCJ-ZDUSSCGKSA-N 1 0 348.403 -1.140 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)NCCc1ccccc1)C(=O)C(N)=O ZINC001284445238 788560799 /nfs/dbraw/zinc/56/07/99/788560799.db2.gz QLLXACQNDWUTDB-CYBMUJFWSA-N 1 0 336.392 -1.761 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)NCCc1ccccc1)C(=O)C(N)=O ZINC001284445239 788559668 /nfs/dbraw/zinc/55/96/68/788559668.db2.gz QLLXACQNDWUTDB-ZDUSSCGKSA-N 1 0 336.392 -1.761 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N(C)CC1CCCCC1)C(=O)C(N)=O ZINC001284445265 788559797 /nfs/dbraw/zinc/55/97/97/788559797.db2.gz RDTYBCUCIGMZON-CYBMUJFWSA-N 1 0 342.440 -1.081 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N(C)CC1CCCCC1)C(=O)C(N)=O ZINC001284445267 788560360 /nfs/dbraw/zinc/56/03/60/788560360.db2.gz RDTYBCUCIGMZON-ZDUSSCGKSA-N 1 0 342.440 -1.081 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCc1ccns1)C(=O)[C@H]1CNC(=O)N1 ZINC001284445272 788559592 /nfs/dbraw/zinc/55/95/92/788559592.db2.gz RHLYTTTVQKSZRK-GXSJLCMTSA-N 1 0 327.410 -1.224 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCc1ccns1)C(=O)[C@@H]1CNC(=O)N1 ZINC001284445273 788560449 /nfs/dbraw/zinc/56/04/49/788560449.db2.gz RHLYTTTVQKSZRK-KOLCDFICSA-N 1 0 327.410 -1.224 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCc1ccns1)C(=O)[C@H]1CNC(=O)N1 ZINC001284445275 788559643 /nfs/dbraw/zinc/55/96/43/788559643.db2.gz RHLYTTTVQKSZRK-MWLCHTKSSA-N 1 0 327.410 -1.224 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCc1ccns1)C(=O)[C@@H]1CNC(=O)N1 ZINC001284445276 788560768 /nfs/dbraw/zinc/56/07/68/788560768.db2.gz RHLYTTTVQKSZRK-ONGXEEELSA-N 1 0 327.410 -1.224 20 0 EAADRO Cc1cccc(CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)c1 ZINC001284445473 788560513 /nfs/dbraw/zinc/56/05/13/788560513.db2.gz SCPPRJRAMHQDOF-CYBMUJFWSA-N 1 0 336.392 -1.495 20 0 EAADRO Cc1cccc(CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)c1 ZINC001284445474 788560689 /nfs/dbraw/zinc/56/06/89/788560689.db2.gz SCPPRJRAMHQDOF-ZDUSSCGKSA-N 1 0 336.392 -1.495 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001284445479 788559924 /nfs/dbraw/zinc/55/99/24/788559924.db2.gz SCWDQNLAGHELDP-AAEUAGOBSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001284445481 788560299 /nfs/dbraw/zinc/56/02/99/788560299.db2.gz SCWDQNLAGHELDP-DGCLKSJQSA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001284445483 788560678 /nfs/dbraw/zinc/56/06/78/788560678.db2.gz SCWDQNLAGHELDP-WCQYABFASA-N 1 0 342.440 -1.034 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)C(=O)NCC1CCCCC1 ZINC001284445485 788559573 /nfs/dbraw/zinc/55/95/73/788559573.db2.gz SCWDQNLAGHELDP-YPMHNXCESA-N 1 0 342.440 -1.034 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(N)=O ZINC001284445495 788560325 /nfs/dbraw/zinc/56/03/25/788560325.db2.gz SDUVQUHGKWKNQN-LLVKDONJSA-N 1 0 343.405 -1.516 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(N)=O ZINC001284445497 788559995 /nfs/dbraw/zinc/55/99/95/788559995.db2.gz SDUVQUHGKWKNQN-NSHDSACASA-N 1 0 343.405 -1.516 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C)C(=O)C1(C(N)=O)CC1 ZINC001284445787 788559697 /nfs/dbraw/zinc/55/96/97/788559697.db2.gz VCFXHWYIESVPRX-LLVKDONJSA-N 1 0 342.440 -1.177 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C)C(=O)C1(C(N)=O)CC1 ZINC001284445789 788560434 /nfs/dbraw/zinc/56/04/34/788560434.db2.gz VCFXHWYIESVPRX-NSHDSACASA-N 1 0 342.440 -1.177 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)C1(C(N)=O)CC1 ZINC001284445923 788560749 /nfs/dbraw/zinc/56/07/49/788560749.db2.gz WORDTXWIKPPQGW-LLVKDONJSA-N 1 0 326.397 -1.717 20 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788560502 /nfs/dbraw/zinc/56/05/02/788560502.db2.gz LTKXXKYKJSMLBB-GFCCVEGCSA-N 1 0 326.401 -1.002 20 0 EAADRO CCC[NH2+]C[C@H](O)CN(C)C(=O)C1(n2cnnn2)CCOCC1 ZINC001284446614 788559940 /nfs/dbraw/zinc/55/99/40/788559940.db2.gz LTKXXKYKJSMLBB-LBPRGKRZSA-N 1 0 326.401 -1.002 20 0 EAADRO CCOCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001284446751 788560219 /nfs/dbraw/zinc/56/02/19/788560219.db2.gz OMCDRHANJZTBNI-LLVKDONJSA-N 1 0 342.396 -1.857 20 0 EAADRO CCOCC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001284446752 788560424 /nfs/dbraw/zinc/56/04/24/788560424.db2.gz OMCDRHANJZTBNI-NSHDSACASA-N 1 0 342.396 -1.857 20 0 EAADRO CC1CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001284447400 788561869 /nfs/dbraw/zinc/56/18/69/788561869.db2.gz ULFCZKKFRYYBAO-CYBMUJFWSA-N 1 0 342.440 -1.258 20 0 EAADRO CC1CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001284447402 788562554 /nfs/dbraw/zinc/56/25/54/788562554.db2.gz ULFCZKKFRYYBAO-ZDUSSCGKSA-N 1 0 342.440 -1.258 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCF)C(=O)C1(n2cnnn2)CCOCC1 ZINC001284447417 788560036 /nfs/dbraw/zinc/56/00/36/788560036.db2.gz UMUYFAGSQHBGBB-LLVKDONJSA-N 1 0 330.364 -1.443 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@]1(C)CCNC1=O ZINC001284447419 788561155 /nfs/dbraw/zinc/56/11/55/788561155.db2.gz GSXYAFKNWJEJLE-BLLLJJGKSA-N 1 0 340.424 -1.458 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@@]1(C)CCNC1=O ZINC001284447421 788562002 /nfs/dbraw/zinc/56/20/02/788562002.db2.gz GSXYAFKNWJEJLE-LRDDRELGSA-N 1 0 340.424 -1.458 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCF)C(=O)C1(n2cnnn2)CCOCC1 ZINC001284447422 785521737 /nfs/dbraw/zinc/52/17/37/785521737.db2.gz UMUYFAGSQHBGBB-NSHDSACASA-N 1 0 330.364 -1.443 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@]1(C)CCNC1=O ZINC001284447429 788561666 /nfs/dbraw/zinc/56/16/66/788561666.db2.gz GSXYAFKNWJEJLE-MLGOLLRUSA-N 1 0 340.424 -1.458 20 0 EAADRO CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@@]1(C)CCNC1=O ZINC001284447431 788561088 /nfs/dbraw/zinc/56/10/88/788561088.db2.gz GSXYAFKNWJEJLE-WBMJQRKESA-N 1 0 340.424 -1.458 20 0 EAADRO COc1cncc(C(=O)N(C)C[C@H](O)C[NH2+]CCn2cncn2)n1 ZINC001284447805 788562011 /nfs/dbraw/zinc/56/20/11/788562011.db2.gz WSWFARHANUWGKX-LLVKDONJSA-N 1 0 335.368 -1.201 20 0 EAADRO COc1cncc(C(=O)N(C)C[C@@H](O)C[NH2+]CCn2cncn2)n1 ZINC001284447806 788562161 /nfs/dbraw/zinc/56/21/61/788562161.db2.gz WSWFARHANUWGKX-NSHDSACASA-N 1 0 335.368 -1.201 20 0 EAADRO CC(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001284448070 788562209 /nfs/dbraw/zinc/56/22/09/788562209.db2.gz YJVXTUOWTRWVRM-LLVKDONJSA-N 1 0 342.396 -1.138 20 0 EAADRO CC(C)CC[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001284448073 788562337 /nfs/dbraw/zinc/56/23/37/788562337.db2.gz YJVXTUOWTRWVRM-NSHDSACASA-N 1 0 342.396 -1.138 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cnn2cc[nH]c12 ZINC001284455447 788562050 /nfs/dbraw/zinc/56/20/50/788562050.db2.gz DQVDHPKBVPFIFT-SECBINFHSA-N 1 0 348.367 -1.693 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cnn2cc[nH]c12 ZINC001284455449 788562285 /nfs/dbraw/zinc/56/22/85/788562285.db2.gz DQVDHPKBVPFIFT-VIFPVBQESA-N 1 0 348.367 -1.693 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1cncn1C ZINC001284455847 788561972 /nfs/dbraw/zinc/56/19/72/788561972.db2.gz HGHZHIVBRFKWPB-AWEZNQCLSA-N 1 0 337.424 -1.006 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1cncn1C ZINC001284455848 788562246 /nfs/dbraw/zinc/56/22/46/788562246.db2.gz HGHZHIVBRFKWPB-CQSZACIVSA-N 1 0 337.424 -1.006 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001284456475 788563159 /nfs/dbraw/zinc/56/31/59/788563159.db2.gz LXOXJFHKNITLEB-UWVGGRQHSA-N 1 0 336.414 -2.777 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001284456476 788564100 /nfs/dbraw/zinc/56/41/00/788564100.db2.gz LXOXJFHKNITLEB-ZJUUUORDSA-N 1 0 336.414 -2.777 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001284456839 788563327 /nfs/dbraw/zinc/56/33/27/788563327.db2.gz NSMDXPRKGWSWOJ-AAEUAGOBSA-N 1 0 337.442 -1.750 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCO)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001284456840 788563373 /nfs/dbraw/zinc/56/33/73/788563373.db2.gz NSMDXPRKGWSWOJ-DGCLKSJQSA-N 1 0 337.442 -1.750 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001284456841 788563234 /nfs/dbraw/zinc/56/32/34/788563234.db2.gz NSMDXPRKGWSWOJ-WCQYABFASA-N 1 0 337.442 -1.750 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCO)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001284456842 788563398 /nfs/dbraw/zinc/56/33/98/788563398.db2.gz NSMDXPRKGWSWOJ-YPMHNXCESA-N 1 0 337.442 -1.750 20 0 EAADRO COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001284456973 788563394 /nfs/dbraw/zinc/56/33/94/788563394.db2.gz PTIVKGIOPSYTEU-GHMZBOCLSA-N 1 0 330.385 -1.676 20 0 EAADRO COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001284456974 788563640 /nfs/dbraw/zinc/56/36/40/788563640.db2.gz PTIVKGIOPSYTEU-MNOVXSKESA-N 1 0 330.385 -1.676 20 0 EAADRO COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001284456975 788563719 /nfs/dbraw/zinc/56/37/19/788563719.db2.gz PTIVKGIOPSYTEU-QWRGUYRKSA-N 1 0 330.385 -1.676 20 0 EAADRO COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001284456976 788563335 /nfs/dbraw/zinc/56/33/35/788563335.db2.gz PTIVKGIOPSYTEU-WDEREUQCSA-N 1 0 330.385 -1.676 20 0 EAADRO Cc1nonc1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284457331 788563777 /nfs/dbraw/zinc/56/37/77/788563777.db2.gz UFYBOFJGGHGLFQ-NXEZZACHSA-N 1 0 339.352 -1.865 20 0 EAADRO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284457332 788563530 /nfs/dbraw/zinc/56/35/30/788563530.db2.gz UFYBOFJGGHGLFQ-UWVGGRQHSA-N 1 0 339.352 -1.865 20 0 EAADRO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284457333 788563084 /nfs/dbraw/zinc/56/30/84/788563084.db2.gz UFYBOFJGGHGLFQ-VHSXEESVSA-N 1 0 339.352 -1.865 20 0 EAADRO Cc1nonc1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284457334 788563104 /nfs/dbraw/zinc/56/31/04/788563104.db2.gz UFYBOFJGGHGLFQ-ZJUUUORDSA-N 1 0 339.352 -1.865 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001284457898 788563487 /nfs/dbraw/zinc/56/34/87/788563487.db2.gz YBFPDFXTSZLQDH-NEPJUHHUSA-N 1 0 343.428 -1.619 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001284457900 788563316 /nfs/dbraw/zinc/56/33/16/788563316.db2.gz YBFPDFXTSZLQDH-RYUDHWBXSA-N 1 0 343.428 -1.619 20 0 EAADRO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001284458105 788563610 /nfs/dbraw/zinc/56/36/10/788563610.db2.gz ZBMCAYYMOYIFIT-JTQLQIEISA-N 1 0 343.384 -2.575 20 0 EAADRO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001284458106 788564120 /nfs/dbraw/zinc/56/41/20/788564120.db2.gz ZBMCAYYMOYIFIT-SNVBAGLBSA-N 1 0 343.384 -2.575 20 0 EAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1cnn2cc[nH]c12 ZINC001284458121 788564032 /nfs/dbraw/zinc/56/40/32/788564032.db2.gz YMTLBKZQRPMJOM-GXSJLCMTSA-N 1 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CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001284459547 788563187 /nfs/dbraw/zinc/56/31/87/788563187.db2.gz FNCBUBLBVUYGFE-QWRGUYRKSA-N 1 0 326.397 -1.848 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001284459548 788564007 /nfs/dbraw/zinc/56/40/07/788564007.db2.gz FNCBUBLBVUYGFE-WDEREUQCSA-N 1 0 326.397 -1.848 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)c1cccnn1 ZINC001284459587 788564073 /nfs/dbraw/zinc/56/40/73/788564073.db2.gz GMCLIZMEPQNJHC-LLVKDONJSA-N 1 0 330.410 -1.066 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)c1cccnn1 ZINC001284459588 788563824 /nfs/dbraw/zinc/56/38/24/788563824.db2.gz GMCLIZMEPQNJHC-NSHDSACASA-N 1 0 330.410 -1.066 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC(=O)NCC(F)(F)F)C(N)=O ZINC001284459735 788564164 /nfs/dbraw/zinc/56/41/64/788564164.db2.gz JWLGEHZQNSIEIX-HTQZYQBOSA-N 1 0 342.318 -1.662 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC(=O)NCC(F)(F)F)C(N)=O ZINC001284459736 788563570 /nfs/dbraw/zinc/56/35/70/788563570.db2.gz JWLGEHZQNSIEIX-JGVFFNPUSA-N 1 0 342.318 -1.662 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC(=O)NCC(F)(F)F)C(N)=O ZINC001284459737 788563944 /nfs/dbraw/zinc/56/39/44/788563944.db2.gz JWLGEHZQNSIEIX-SFYZADRCSA-N 1 0 342.318 -1.662 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC(=O)NCC(F)(F)F)C(N)=O ZINC001284459738 788563121 /nfs/dbraw/zinc/56/31/21/788563121.db2.gz JWLGEHZQNSIEIX-YUMQZZPRSA-N 1 0 342.318 -1.662 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001284459773 788563294 /nfs/dbraw/zinc/56/32/94/788563294.db2.gz KLUQBAAIFKATAW-SECBINFHSA-N 1 0 340.384 -2.457 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001284459774 788563548 /nfs/dbraw/zinc/56/35/48/788563548.db2.gz KLUQBAAIFKATAW-VIFPVBQESA-N 1 0 340.384 -2.457 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(=O)NCC2CC2)C1=O ZINC001284459785 788563280 /nfs/dbraw/zinc/56/32/80/788563280.db2.gz KQMINOHVYKCGNT-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(=O)NCC2CC2)C1=O ZINC001284459786 788563683 /nfs/dbraw/zinc/56/36/83/788563683.db2.gz KQMINOHVYKCGNT-OLZOCXBDSA-N 1 0 340.424 -1.458 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC2CC2)C1=O ZINC001284459787 788563408 /nfs/dbraw/zinc/56/34/08/788563408.db2.gz KQMINOHVYKCGNT-QWHCGFSZSA-N 1 0 340.424 -1.458 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC2CC2)C1=O ZINC001284459788 788562947 /nfs/dbraw/zinc/56/29/47/788562947.db2.gz KQMINOHVYKCGNT-STQMWFEESA-N 1 0 340.424 -1.458 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1cnn(C)n1 ZINC001284459803 788563361 /nfs/dbraw/zinc/56/33/61/788563361.db2.gz KVSPMLCUGJDBCP-SECBINFHSA-N 1 0 334.402 -2.613 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1cnn(C)n1 ZINC001284459804 788563346 /nfs/dbraw/zinc/56/33/46/788563346.db2.gz KVSPMLCUGJDBCP-VIFPVBQESA-N 1 0 334.402 -2.613 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001284459973 788562894 /nfs/dbraw/zinc/56/28/94/788562894.db2.gz NYUDGVUPDOXSSO-GFCCVEGCSA-N 1 0 326.401 -1.398 20 0 EAADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001284459974 788563747 /nfs/dbraw/zinc/56/37/47/788563747.db2.gz NYUDGVUPDOXSSO-LBPRGKRZSA-N 1 0 326.401 -1.398 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)CC1 ZINC001284459991 788563830 /nfs/dbraw/zinc/56/38/30/788563830.db2.gz OGLIBHPAVZMWHK-LLVKDONJSA-N 1 0 341.412 -2.053 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)CC1 ZINC001284459992 788563630 /nfs/dbraw/zinc/56/36/30/788563630.db2.gz OGLIBHPAVZMWHK-NSHDSACASA-N 1 0 341.412 -2.053 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ccncn1 ZINC001284460077 788563222 /nfs/dbraw/zinc/56/32/22/788563222.db2.gz PSLHMVKWBSHYFW-JTQLQIEISA-N 1 0 336.352 -1.949 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ccncn1 ZINC001284460078 788563270 /nfs/dbraw/zinc/56/32/70/788563270.db2.gz PSLHMVKWBSHYFW-SNVBAGLBSA-N 1 0 336.352 -1.949 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C(C)C)CC1 ZINC001284460348 788564043 /nfs/dbraw/zinc/56/40/43/788564043.db2.gz RLHVQVUAPBAYPI-GFCCVEGCSA-N 1 0 342.440 -1.212 20 0 EAADRO CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C(C)C)CC1 ZINC001284460362 788563878 /nfs/dbraw/zinc/56/38/78/788563878.db2.gz RLHVQVUAPBAYPI-LBPRGKRZSA-N 1 0 342.440 -1.212 20 0 EAADRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1)C(=O)N(C)C ZINC001284460448 788563935 /nfs/dbraw/zinc/56/39/35/788563935.db2.gz SKNZGKQWMVKRNY-CMPLNLGQSA-N 1 0 328.413 -1.602 20 0 EAADRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1)C(=O)N(C)C ZINC001284460450 788564155 /nfs/dbraw/zinc/56/41/55/788564155.db2.gz SKNZGKQWMVKRNY-JQWIXIFHSA-N 1 0 328.413 -1.602 20 0 EAADRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1)C(=O)N(C)C ZINC001284460453 788562800 /nfs/dbraw/zinc/56/28/00/788562800.db2.gz SKNZGKQWMVKRNY-PWSUYJOCSA-N 1 0 328.413 -1.602 20 0 EAADRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1)C(=O)N(C)C ZINC001284460455 788562995 /nfs/dbraw/zinc/56/29/95/788562995.db2.gz SKNZGKQWMVKRNY-ZYHUDNBSSA-N 1 0 328.413 -1.602 20 0 EAADRO Cc1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)C2CC(=O)NC(=O)C2)o1 ZINC001284460503 788562933 /nfs/dbraw/zinc/56/29/33/788562933.db2.gz SLXQJPBECYWMNO-LLVKDONJSA-N 1 0 338.364 -1.055 20 0 EAADRO Cc1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)C2CC(=O)NC(=O)C2)o1 ZINC001284460504 788563843 /nfs/dbraw/zinc/56/38/43/788563843.db2.gz SLXQJPBECYWMNO-NSHDSACASA-N 1 0 338.364 -1.055 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284460588 788562985 /nfs/dbraw/zinc/56/29/85/788562985.db2.gz SOTCECUWILLLDW-LLVKDONJSA-N 1 0 341.416 -1.455 20 0 EAADRO CC(C)NC(=O)NCC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284460593 788563958 /nfs/dbraw/zinc/56/39/58/788563958.db2.gz SOTCECUWILLLDW-NSHDSACASA-N 1 0 341.416 -1.455 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2(C(=O)NC)CC2)C1=O ZINC001284460800 788564138 /nfs/dbraw/zinc/56/41/38/788564138.db2.gz VMSNGIUSLVLOLB-NEPJUHHUSA-N 1 0 340.424 -1.458 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C2(C(=O)NC)CC2)C1=O ZINC001284460802 788563514 /nfs/dbraw/zinc/56/35/14/788563514.db2.gz VMSNGIUSLVLOLB-NWDGAFQWSA-N 1 0 340.424 -1.458 20 0 EAADRO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C2(C(=O)NC)CC2)C1=O ZINC001284460804 788562878 /nfs/dbraw/zinc/56/28/78/788562878.db2.gz VMSNGIUSLVLOLB-RYUDHWBXSA-N 1 0 340.424 -1.458 20 0 EAADRO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2(C(=O)NC)CC2)C1=O ZINC001284460806 788563256 /nfs/dbraw/zinc/56/32/56/788563256.db2.gz VMSNGIUSLVLOLB-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1ncccn1 ZINC001284461049 788563648 /nfs/dbraw/zinc/56/36/48/788563648.db2.gz WRFVFMZBDPTRPO-JTQLQIEISA-N 1 0 331.398 -1.952 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1ncccn1 ZINC001284461050 788564019 /nfs/dbraw/zinc/56/40/19/788564019.db2.gz WRFVFMZBDPTRPO-SNVBAGLBSA-N 1 0 331.398 -1.952 20 0 EAADRO C[C@H](CCNC(=O)CN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001284461365 788565635 /nfs/dbraw/zinc/56/56/35/788565635.db2.gz XIODTEXOLGQHFU-SNVBAGLBSA-N 1 0 327.385 -1.499 20 0 EAADRO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)nn1 ZINC001284461384 788564911 /nfs/dbraw/zinc/56/49/11/788564911.db2.gz ZEQXRPRPIJDJEH-LLVKDONJSA-N 1 0 339.400 -1.654 20 0 EAADRO CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)nn1 ZINC001284461387 788565304 /nfs/dbraw/zinc/56/53/04/788565304.db2.gz ZEQXRPRPIJDJEH-NSHDSACASA-N 1 0 339.400 -1.654 20 0 EAADRO CC[C@H](C(=O)N[C@H](C)CCNC(=O)CN1C(=O)CNC1=O)[NH+](C)C ZINC001284461472 788565585 /nfs/dbraw/zinc/56/55/85/788565585.db2.gz ZBXGEKGYASSSGU-GHMZBOCLSA-N 1 0 341.412 -1.111 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001284466406 788565664 /nfs/dbraw/zinc/56/56/64/788565664.db2.gz CCOPAMVKPYPRPA-NXEZZACHSA-N 1 0 343.384 -2.528 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001284466408 788565600 /nfs/dbraw/zinc/56/56/00/788565600.db2.gz CCOPAMVKPYPRPA-UWVGGRQHSA-N 1 0 343.384 -2.528 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001284466410 788565412 /nfs/dbraw/zinc/56/54/12/788565412.db2.gz CCOPAMVKPYPRPA-VHSXEESVSA-N 1 0 343.384 -2.528 20 0 EAADRO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001284466413 788565834 /nfs/dbraw/zinc/56/58/34/788565834.db2.gz CCOPAMVKPYPRPA-ZJUUUORDSA-N 1 0 343.384 -2.528 20 0 EAADRO Cc1nnc2n1C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)CC2 ZINC001284466583 788565379 /nfs/dbraw/zinc/56/53/79/788565379.db2.gz DPRNOQHOQUNBNL-CHWSQXEVSA-N 1 0 325.413 -1.060 20 0 EAADRO Cc1nnc2n1C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)CC2 ZINC001284466584 788565113 /nfs/dbraw/zinc/56/51/13/788565113.db2.gz DPRNOQHOQUNBNL-OLZOCXBDSA-N 1 0 325.413 -1.060 20 0 EAADRO Cc1nnc2n1C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)CC2 ZINC001284466585 788564896 /nfs/dbraw/zinc/56/48/96/788564896.db2.gz DPRNOQHOQUNBNL-QWHCGFSZSA-N 1 0 325.413 -1.060 20 0 EAADRO Cc1nnc2n1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)CC2 ZINC001284466586 788564983 /nfs/dbraw/zinc/56/49/83/788564983.db2.gz DPRNOQHOQUNBNL-STQMWFEESA-N 1 0 325.413 -1.060 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1cnns1)C(=O)CN1C(=O)CCC1=O ZINC001284466589 788565784 /nfs/dbraw/zinc/56/57/84/788565784.db2.gz DRLCEFZPRXHABF-SECBINFHSA-N 1 0 341.393 -1.404 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1cnns1)C(=O)CN1C(=O)CCC1=O ZINC001284466590 788565718 /nfs/dbraw/zinc/56/57/18/788565718.db2.gz DRLCEFZPRXHABF-VIFPVBQESA-N 1 0 341.393 -1.404 20 0 EAADRO CN(C[C@H](O)C[NH2+]Cc1cccnc1)C(=O)CN1C(=O)CNC1=O ZINC001284466591 788565192 /nfs/dbraw/zinc/56/51/92/788565192.db2.gz DRQIWULVCFQXOW-GFCCVEGCSA-N 1 0 335.364 -1.458 20 0 EAADRO CN(C[C@@H](O)C[NH2+]Cc1cccnc1)C(=O)CN1C(=O)CNC1=O ZINC001284466592 788565201 /nfs/dbraw/zinc/56/52/01/788565201.db2.gz DRQIWULVCFQXOW-LBPRGKRZSA-N 1 0 335.364 -1.458 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCC1CC1)C(=O)CN1CCS(=O)(=O)CC1 ZINC001284466595 785526626 /nfs/dbraw/zinc/52/66/26/785526626.db2.gz DTWRFQKINHQFKH-AWEZNQCLSA-N 1 0 347.481 -1.074 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCC1CC1)C(=O)CN1CCS(=O)(=O)CC1 ZINC001284466596 785526503 /nfs/dbraw/zinc/52/65/03/785526503.db2.gz DTWRFQKINHQFKH-CQSZACIVSA-N 1 0 347.481 -1.074 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCC(F)(F)F)C(=O)CN1C(=O)CNC1=O ZINC001284466597 785527424 /nfs/dbraw/zinc/52/74/24/785527424.db2.gz DUKRODOPNQFKRY-MRVPVSSYSA-N 1 0 340.302 -1.101 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCC(F)(F)F)C(=O)CN1C(=O)CNC1=O ZINC001284466598 785527221 /nfs/dbraw/zinc/52/72/21/785527221.db2.gz DUKRODOPNQFKRY-QMMMGPOBSA-N 1 0 340.302 -1.101 20 0 EAADRO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)Cn1ccccc1=O ZINC001284467501 788564462 /nfs/dbraw/zinc/56/44/62/788564462.db2.gz JUADJXZYCWSBHW-CYBMUJFWSA-N 1 0 334.380 -1.451 20 0 EAADRO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)Cn1ccccc1=O ZINC001284467502 788565575 /nfs/dbraw/zinc/56/55/75/788565575.db2.gz JUADJXZYCWSBHW-ZDUSSCGKSA-N 1 0 334.380 -1.451 20 0 EAADRO 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CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001284869624 785583096 /nfs/dbraw/zinc/58/30/96/785583096.db2.gz YIFOOKWGPYZXBN-NEPJUHHUSA-N 1 0 328.413 -1.336 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001284869625 785582910 /nfs/dbraw/zinc/58/29/10/785582910.db2.gz YIFOOKWGPYZXBN-NWDGAFQWSA-N 1 0 328.413 -1.336 20 0 EAADRO CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001284869626 785582353 /nfs/dbraw/zinc/58/23/53/785582353.db2.gz YIFOOKWGPYZXBN-RYUDHWBXSA-N 1 0 328.413 -1.336 20 0 EAADRO CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001284869627 785582549 /nfs/dbraw/zinc/58/25/49/785582549.db2.gz YIFOOKWGPYZXBN-VXGBXAGGSA-N 1 0 328.413 -1.336 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001284869701 788600816 /nfs/dbraw/zinc/60/08/16/788600816.db2.gz AYFGOHBAPPXWEY-CHWSQXEVSA-N 1 0 340.424 -1.144 20 0 EAADRO CN(CCOCC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001284869702 788601256 /nfs/dbraw/zinc/60/12/56/788601256.db2.gz AYFGOHBAPPXWEY-OLZOCXBDSA-N 1 0 340.424 -1.144 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001284869703 788601557 /nfs/dbraw/zinc/60/15/57/788601557.db2.gz AYFGOHBAPPXWEY-QWHCGFSZSA-N 1 0 340.424 -1.144 20 0 EAADRO CN(CCOCC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001284869704 788601640 /nfs/dbraw/zinc/60/16/40/788601640.db2.gz AYFGOHBAPPXWEY-STQMWFEESA-N 1 0 340.424 -1.144 20 0 EAADRO C[C@H]([NH2+]CCOCCN(C)C(=O)c1cncn1C)C(=O)NC(N)=O ZINC001284869788 788601387 /nfs/dbraw/zinc/60/13/87/788601387.db2.gz DQHMLYSTTGCOHH-JTQLQIEISA-N 1 0 340.384 -1.318 20 0 EAADRO C[C@@H]([NH2+]CCOCCN(C)C(=O)c1cncn1C)C(=O)NC(N)=O ZINC001284869789 788601204 /nfs/dbraw/zinc/60/12/04/788601204.db2.gz DQHMLYSTTGCOHH-SNVBAGLBSA-N 1 0 340.384 -1.318 20 0 EAADRO CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)CN1CCCNC1=O ZINC001284869790 788600936 /nfs/dbraw/zinc/60/09/36/788600936.db2.gz DRLCTFHOGAOOEK-GFCCVEGCSA-N 1 0 341.412 -1.645 20 0 EAADRO CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)CN1CCCNC1=O ZINC001284869791 788601188 /nfs/dbraw/zinc/60/11/88/788601188.db2.gz DRLCTFHOGAOOEK-LBPRGKRZSA-N 1 0 341.412 -1.645 20 0 EAADRO COc1cc(C(=O)N(C)CCOCC[NH2+][C@@H]2CCNC2=O)nn1C ZINC001284869797 788601036 /nfs/dbraw/zinc/60/10/36/788601036.db2.gz DWOUBUHBUZBFIX-LLVKDONJSA-N 1 0 339.396 -1.005 20 0 EAADRO COc1cc(C(=O)N(C)CCOCC[NH2+][C@H]2CCNC2=O)nn1C ZINC001284869798 788601488 /nfs/dbraw/zinc/60/14/88/788601488.db2.gz DWOUBUHBUZBFIX-NSHDSACASA-N 1 0 339.396 -1.005 20 0 EAADRO C[C@H](C(=O)N(C)CCOCC[NH2+][C@H]1CCCNC1=O)S(C)(=O)=O ZINC001284870190 788601126 /nfs/dbraw/zinc/60/11/26/788601126.db2.gz NMQDCJCHHBCTDU-NEPJUHHUSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H](C(=O)N(C)CCOCC[NH2+][C@@H]1CCCNC1=O)S(C)(=O)=O ZINC001284870191 788600811 /nfs/dbraw/zinc/60/08/11/788600811.db2.gz NMQDCJCHHBCTDU-NWDGAFQWSA-N 1 0 349.453 -1.237 20 0 EAADRO C[C@@H](C(=O)N(C)CCOCC[NH2+][C@H]1CCCNC1=O)S(C)(=O)=O ZINC001284870192 788601691 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CCN1CCO[C@@H](C(=O)N(C)CCOCC[NH2+][C@H]2CCNC2=O)C1 ZINC001284877842 788602251 /nfs/dbraw/zinc/60/22/51/788602251.db2.gz HYHUNTONRNBGCM-UONOGXRCSA-N 1 0 342.440 -1.340 20 0 EAADRO CCN1CCO[C@@H](C(=O)N(C)CCOCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001284877843 788602670 /nfs/dbraw/zinc/60/26/70/788602670.db2.gz HYHUNTONRNBGCM-ZIAGYGMSSA-N 1 0 342.440 -1.340 20 0 EAADRO C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001284878064 785584273 /nfs/dbraw/zinc/58/42/73/785584273.db2.gz KTAILVWEYJCKRE-NXEZZACHSA-N 1 0 336.414 -2.384 20 0 EAADRO C[C@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001284878073 785584304 /nfs/dbraw/zinc/58/43/04/785584304.db2.gz KTAILVWEYJCKRE-UWVGGRQHSA-N 1 0 336.414 -2.384 20 0 EAADRO C[C@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001284878074 785584320 /nfs/dbraw/zinc/58/43/20/785584320.db2.gz KTAILVWEYJCKRE-VHSXEESVSA-N 1 0 336.414 -2.384 20 0 EAADRO C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001284878075 785583499 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EAADRO CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001284879127 788603736 /nfs/dbraw/zinc/60/37/36/788603736.db2.gz XPEXDJWKFKGKRT-GFCCVEGCSA-N 1 0 338.412 -1.349 20 0 EAADRO CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001284879128 788603975 /nfs/dbraw/zinc/60/39/75/788603975.db2.gz XPEXDJWKFKGKRT-LBPRGKRZSA-N 1 0 338.412 -1.349 20 0 EAADRO C[C@H](COCC(=O)N1CC(NC(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001284894117 788604132 /nfs/dbraw/zinc/60/41/32/788604132.db2.gz FSNUXBGXJUMPFY-LLVKDONJSA-N 1 0 326.397 -1.310 20 0 EAADRO C[C@@H](COCC(=O)N1CC(NC(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001284894119 788604100 /nfs/dbraw/zinc/60/41/00/788604100.db2.gz FSNUXBGXJUMPFY-NSHDSACASA-N 1 0 326.397 -1.310 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001284897559 788605679 /nfs/dbraw/zinc/60/56/79/788605679.db2.gz XLHCNSZDLUXARE-LLVKDONJSA-N 1 0 327.381 -1.155 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001284897560 788605694 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337.380 -1.604 20 0 EAADRO O=C(CC[C@H]1NC(=O)NC1=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284904244 788606415 /nfs/dbraw/zinc/60/64/15/788606415.db2.gz XUHPSZVMMCWHOG-LLVKDONJSA-N 1 0 349.391 -1.603 20 0 EAADRO O=C(CC[C@@H]1NC(=O)NC1=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284904247 788606597 /nfs/dbraw/zinc/60/65/97/788606597.db2.gz XUHPSZVMMCWHOG-NSHDSACASA-N 1 0 349.391 -1.603 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001284906117 788606856 /nfs/dbraw/zinc/60/68/56/788606856.db2.gz JSNZZQZTGBHPSZ-AAEUAGOBSA-N 1 0 338.408 -1.582 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001284906120 788606784 /nfs/dbraw/zinc/60/67/84/788606784.db2.gz JSNZZQZTGBHPSZ-DGCLKSJQSA-N 1 0 338.408 -1.582 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001284906121 788606691 /nfs/dbraw/zinc/60/66/91/788606691.db2.gz JSNZZQZTGBHPSZ-WCQYABFASA-N 1 0 338.408 -1.582 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001284906122 788606952 /nfs/dbraw/zinc/60/69/52/788606952.db2.gz JSNZZQZTGBHPSZ-YPMHNXCESA-N 1 0 338.408 -1.582 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001284906324 788606757 /nfs/dbraw/zinc/60/67/57/788606757.db2.gz NJPLQKNPLVJBNY-UHFFFAOYSA-N 1 0 337.380 -1.368 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001284907602 788606817 /nfs/dbraw/zinc/60/68/17/788606817.db2.gz KAOBXUOIAIUJDY-GFCCVEGCSA-N 1 0 346.453 -1.263 20 0 EAADRO C[NH+](C)CCCCC(=O)N1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001284907603 788608303 /nfs/dbraw/zinc/60/83/03/788608303.db2.gz KAOBXUOIAIUJDY-LBPRGKRZSA-N 1 0 346.453 -1.263 20 0 EAADRO CNS(=O)(=O)CC(=O)NC1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001284907839 788607623 /nfs/dbraw/zinc/60/76/23/788607623.db2.gz NXWAGIIQRAZMGQ-UHFFFAOYSA-N 1 0 334.442 -1.406 20 0 EAADRO CC[NH+](CC)CC(=O)NC1CN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001284908022 788607444 /nfs/dbraw/zinc/60/74/44/788607444.db2.gz RLJLLCHOTFTRGE-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO CC(C)S(=O)(=O)CC(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001284908053 788607639 /nfs/dbraw/zinc/60/76/39/788607639.db2.gz SRAAZQUATNVHBY-UHFFFAOYSA-N 1 0 349.453 -1.285 20 0 EAADRO CCN1CCO[C@H](C(=O)NC2CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001284908767 788607541 /nfs/dbraw/zinc/60/75/41/788607541.db2.gz BRAYORKLAYXUOO-AWEZNQCLSA-N 1 0 342.440 -1.388 20 0 EAADRO CCN1CCO[C@@H](C(=O)NC2CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001284908784 788608173 /nfs/dbraw/zinc/60/81/73/788608173.db2.gz BRAYORKLAYXUOO-CQSZACIVSA-N 1 0 342.440 -1.388 20 0 EAADRO CNC(=O)CC(=O)N1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001284918196 788609339 /nfs/dbraw/zinc/60/93/39/788609339.db2.gz CDCYRQIRLRMVRL-UHFFFAOYSA-N 1 0 340.424 -1.192 20 0 EAADRO CC[C@H](C(=O)NC1CN(C(=O)CN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001284919155 788608924 /nfs/dbraw/zinc/60/89/24/788608924.db2.gz JVISFBYUYDEYQF-SNVBAGLBSA-N 1 0 325.369 -1.795 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC(NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001284919627 788609181 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EAADRO C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001284923246 788610612 /nfs/dbraw/zinc/61/06/12/788610612.db2.gz JQWXLQJMIBTOIB-NSHDSACASA-N 1 0 349.391 -1.795 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001284923973 788610712 /nfs/dbraw/zinc/61/07/12/788610712.db2.gz WVMHDSMSVUTOPS-GFCCVEGCSA-N 1 0 349.391 -1.652 20 0 EAADRO O=C(NCC(F)F)C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001284925134 788611683 /nfs/dbraw/zinc/61/16/83/788611683.db2.gz LDPYBTZOVRQESS-UHFFFAOYSA-N 1 0 330.335 -1.210 20 0 EAADRO CC[C@H](C(=O)NC1CN(C(=O)CN2CC(=O)N(C)C2=O)C1)[NH+](C)C ZINC001284925350 788611798 /nfs/dbraw/zinc/61/17/98/788611798.db2.gz OENLJXOPKVQNRS-LLVKDONJSA-N 1 0 339.396 -1.452 20 0 EAADRO CC[C@@H](C(=O)NC1CN(C(=O)CN2CC(=O)N(C)C2=O)C1)[NH+](C)C ZINC001284925351 788611265 /nfs/dbraw/zinc/61/12/65/788611265.db2.gz OENLJXOPKVQNRS-NSHDSACASA-N 1 0 339.396 -1.452 20 0 EAADRO C[NH+](C)CCCCC(=O)NC1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001284927590 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EAADRO C[NH+](C)CCCC(=O)NC1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001284936925 788613398 /nfs/dbraw/zinc/61/33/98/788613398.db2.gz HCWUTCUXDWANSF-JTQLQIEISA-N 1 0 325.369 -1.747 20 0 EAADRO CN1C(=O)CN(CC(=O)N2CC(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001284937637 788613381 /nfs/dbraw/zinc/61/33/81/788613381.db2.gz OBCWFZSVRLKRKQ-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC1=CC[N@@H+]([C@H](C)COC)CC1 ZINC001284937941 788613408 /nfs/dbraw/zinc/61/34/08/788613408.db2.gz IXDCWKWLRPLKSJ-LLVKDONJSA-N 1 0 334.442 -1.177 20 0 EAADRO CNS(=O)(=O)NCC(=O)NCC1=CC[N@@H+]([C@@H](C)COC)CC1 ZINC001284937944 788613102 /nfs/dbraw/zinc/61/31/02/788613102.db2.gz IXDCWKWLRPLKSJ-NSHDSACASA-N 1 0 334.442 -1.177 20 0 EAADRO C[NH+](C)CC1(C(=O)NC2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)CC1 ZINC001284938083 788612843 /nfs/dbraw/zinc/61/28/43/788612843.db2.gz QEEDPYYWAOTFOS-JTQLQIEISA-N 1 0 336.392 -1.292 20 0 EAADRO C[NH+](C)CC1(C(=O)NC2CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)CC1 ZINC001284938088 788613418 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EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC001285881187 788699532 /nfs/dbraw/zinc/69/95/32/788699532.db2.gz ULPWATZIMQRREZ-NEPJUHHUSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC001285881189 788699766 /nfs/dbraw/zinc/69/97/66/788699766.db2.gz ULPWATZIMQRREZ-NWDGAFQWSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC001285881191 788699350 /nfs/dbraw/zinc/69/93/50/788699350.db2.gz ULPWATZIMQRREZ-RYUDHWBXSA-N 1 0 336.392 -1.148 20 0 EAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC001285881193 788699473 /nfs/dbraw/zinc/69/94/73/788699473.db2.gz ULPWATZIMQRREZ-VXGBXAGGSA-N 1 0 336.392 -1.148 20 0 EAADRO CC[C@@H](C(=O)NC[C@H](C)N(C)C(=O)C[C@@H]1NC(=O)NC1=O)[NH+](C)C ZINC001285883861 788700433 /nfs/dbraw/zinc/70/04/33/788700433.db2.gz WNGCIQJEFJBTDO-DCAQKATOSA-N 1 0 341.412 -1.112 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)C[C@@H]1NC(=O)NC1=O)[NH+](C)C ZINC001285883862 788700861 /nfs/dbraw/zinc/70/08/61/788700861.db2.gz WNGCIQJEFJBTDO-VWYCJHECSA-N 1 0 341.412 -1.112 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001285884549 788701215 /nfs/dbraw/zinc/70/12/15/788701215.db2.gz BRJIRSQYRZZPID-GHMZBOCLSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H](CNC(=O)CN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001285884550 788700564 /nfs/dbraw/zinc/70/05/64/788700564.db2.gz BRJIRSQYRZZPID-MNOVXSKESA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001285884551 788700906 /nfs/dbraw/zinc/70/09/06/788700906.db2.gz BRJIRSQYRZZPID-QWRGUYRKSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001285884552 788701048 /nfs/dbraw/zinc/70/10/48/788701048.db2.gz BRJIRSQYRZZPID-WDEREUQCSA-N 1 0 339.396 -1.405 20 0 EAADRO CC[C@H](C(=O)N(C)[C@H](C)CNC(=O)CN1C(=O)CNC1=O)[NH+](C)C ZINC001285886302 788700518 /nfs/dbraw/zinc/70/05/18/788700518.db2.gz 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/nfs/dbraw/zinc/71/94/54/788719454.db2.gz LFRYUTMJUOATRR-GFCCVEGCSA-N 1 0 341.412 -1.743 20 0 EAADRO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286026565 788719844 /nfs/dbraw/zinc/71/98/44/788719844.db2.gz LFRYUTMJUOATRR-LBPRGKRZSA-N 1 0 341.412 -1.743 20 0 EAADRO CCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001286028776 788719745 /nfs/dbraw/zinc/71/97/45/788719745.db2.gz YWXNDUMEHRFOOE-NSHDSACASA-N 1 0 339.396 -1.405 20 0 EAADRO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001286032938 788719424 /nfs/dbraw/zinc/71/94/24/788719424.db2.gz HYCLYKSCABWPJP-UHFFFAOYSA-N 1 0 339.396 -1.499 20 0 EAADRO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001286033841 788720056 /nfs/dbraw/zinc/72/00/56/788720056.db2.gz YELCSINANLWHTE-JTQLQIEISA-N 1 0 325.369 -1.795 20 0 EAADRO CN(C(=O)[C@@]1(C)CCNC1=O)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286034235 788720025 /nfs/dbraw/zinc/72/00/25/788720025.db2.gz DJZZFLXEGJWGHO-INIZCTEOSA-N 1 0 340.424 -1.240 20 0 EAADRO CN(C(=O)[C@]1(C)CCNC1=O)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286034237 788719940 /nfs/dbraw/zinc/71/99/40/788719940.db2.gz DJZZFLXEGJWGHO-MRXNPFEDSA-N 1 0 340.424 -1.240 20 0 EAADRO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286034415 788720992 /nfs/dbraw/zinc/72/09/92/788720992.db2.gz GXSFWNPLVPZVBB-NEPJUHHUSA-N 1 0 326.397 -1.645 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001286039819 788720754 /nfs/dbraw/zinc/72/07/54/788720754.db2.gz UXMHPDUJDMBZLB-UHFFFAOYSA-N 1 0 339.396 -1.451 20 0 EAADRO Cn1nnc(C(=O)N[C@@]2(C)CCN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001286102966 788722952 /nfs/dbraw/zinc/72/29/52/788722952.db2.gz ZWEDLBZVXBNMSJ-AWEZNQCLSA-N 1 0 339.400 -1.491 20 0 EAADRO Cn1nnc(C(=O)N[C@]2(C)CCN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001286102973 788723170 /nfs/dbraw/zinc/72/31/70/788723170.db2.gz ZWEDLBZVXBNMSJ-CQSZACIVSA-N 1 0 339.400 -1.491 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134982 788725730 /nfs/dbraw/zinc/72/57/30/788725730.db2.gz ICUYNRWOGGTZAE-BLLLJJGKSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134983 788724980 /nfs/dbraw/zinc/72/49/80/788724980.db2.gz ICUYNRWOGGTZAE-LRDDRELGSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134984 788725292 /nfs/dbraw/zinc/72/52/92/788725292.db2.gz ICUYNRWOGGTZAE-MLGOLLRUSA-N 1 0 340.424 -1.064 20 0 EAADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134985 788725437 /nfs/dbraw/zinc/72/54/37/788725437.db2.gz ICUYNRWOGGTZAE-WBMJQRKESA-N 1 0 340.424 -1.064 20 0 EAADRO CC(=O)NCC(=O)NC[C@@]1(O)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001286173165 788726269 /nfs/dbraw/zinc/72/62/69/788726269.db2.gz HWKZCVLESDNFNA-INIZCTEOSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)NC[C@]1(O)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001286173166 788726310 /nfs/dbraw/zinc/72/63/10/788726310.db2.gz HWKZCVLESDNFNA-MRXNPFEDSA-N 1 0 342.440 -1.066 20 0 EAADRO CC(=O)NCC(=O)NC[C@@]1(O)CCN(C(=O)COCC[NH+](C)C)C1 ZINC001286175873 788727371 /nfs/dbraw/zinc/72/73/71/788727371.db2.gz VWFWPOJVCUBDIF-HNNXBMFYSA-N 1 0 344.412 -2.220 20 0 EAADRO CC(=O)NCC(=O)NC[C@]1(O)CCN(C(=O)COCC[NH+](C)C)C1 ZINC001286175874 788727470 /nfs/dbraw/zinc/72/74/70/788727470.db2.gz VWFWPOJVCUBDIF-OAHLLOKOSA-N 1 0 344.412 -2.220 20 0 EAADRO CC(C)(C(=O)N1CC[C@](O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001286176425 788728060 /nfs/dbraw/zinc/72/80/60/788728060.db2.gz AJRZSEABZLGFSZ-INIZCTEOSA-N 1 0 340.424 -1.184 20 0 EAADRO CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)CC(N)=O)C1)[NH+]1CCCC1 ZINC001286176426 788727413 /nfs/dbraw/zinc/72/74/13/788727413.db2.gz AJRZSEABZLGFSZ-MRXNPFEDSA-N 1 0 340.424 -1.184 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001286176845 788728032 /nfs/dbraw/zinc/72/80/32/788728032.db2.gz DNOHAHFJYUKHPH-ABAIWWIYSA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001286176847 788727382 /nfs/dbraw/zinc/72/73/82/788727382.db2.gz DNOHAHFJYUKHPH-IAQYHMDHSA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001286176849 788728136 /nfs/dbraw/zinc/72/81/36/788728136.db2.gz DNOHAHFJYUKHPH-NHYWBVRUSA-N 1 0 326.397 -1.574 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001286176851 788728163 /nfs/dbraw/zinc/72/81/63/788728163.db2.gz DNOHAHFJYUKHPH-XHDPSFHLSA-N 1 0 326.397 -1.574 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001286178494 788728861 /nfs/dbraw/zinc/72/88/61/788728861.db2.gz PFFXLAROSMPAOX-BLLLJJGKSA-N 1 0 340.424 -1.362 20 0 EAADRO CN(C)C(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001286178496 788728995 /nfs/dbraw/zinc/72/89/95/788728995.db2.gz PFFXLAROSMPAOX-LRDDRELGSA-N 1 0 340.424 -1.362 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)CC(N)=O)C2)C1 ZINC001286178803 788729220 /nfs/dbraw/zinc/72/92/20/788729220.db2.gz RWPVHVAXEBTUCO-INIZCTEOSA-N 1 0 340.424 -1.327 20 0 EAADRO CC1(C)CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)CC(N)=O)C2)C1 ZINC001286178804 788729165 /nfs/dbraw/zinc/72/91/65/788729165.db2.gz RWPVHVAXEBTUCO-MRXNPFEDSA-N 1 0 340.424 -1.327 20 0 EAADRO COCCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001286179691 788730231 /nfs/dbraw/zinc/73/02/31/788730231.db2.gz ZISGKALHGYPLKU-CJNGLKHVSA-N 1 0 343.424 -1.177 20 0 EAADRO COCCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001286179692 788729964 /nfs/dbraw/zinc/72/99/64/788729964.db2.gz ZISGKALHGYPLKU-CZUORRHYSA-N 1 0 343.424 -1.177 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([C@H](C)NC(=O)CC(N)=O)C1 ZINC001286189236 788731281 /nfs/dbraw/zinc/73/12/81/788731281.db2.gz RAVLGXRCNPKIBB-NEPJUHHUSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H](NC(=O)CC(N)=O)C1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001286189238 788731342 /nfs/dbraw/zinc/73/13/42/788731342.db2.gz RAVLGXRCNPKIBB-NWDGAFQWSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC([C@H](C)NC(=O)CC(N)=O)C1 ZINC001286189240 788731349 /nfs/dbraw/zinc/73/13/49/788731349.db2.gz RAVLGXRCNPKIBB-RYUDHWBXSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([C@@H](C)NC(=O)CC(N)=O)C1 ZINC001286189242 788731244 /nfs/dbraw/zinc/73/12/44/788731244.db2.gz RAVLGXRCNPKIBB-VXGBXAGGSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H](NC(=O)Cn1ncnn1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286196049 788731382 /nfs/dbraw/zinc/73/13/82/788731382.db2.gz PVSPDCQLVTVNJH-LLVKDONJSA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@H](NC(=O)Cn1ncnn1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286196050 788731081 /nfs/dbraw/zinc/73/10/81/788731081.db2.gz PVSPDCQLVTVNJH-NSHDSACASA-N 1 0 339.400 -1.786 20 0 EAADRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)CC(N)=O)C1 ZINC001286209198 788733365 /nfs/dbraw/zinc/73/33/65/788733365.db2.gz NOYRIYZKIHKAAJ-LLVKDONJSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)CC(N)=O)C1 ZINC001286209199 788733385 /nfs/dbraw/zinc/73/33/85/788733385.db2.gz NOYRIYZKIHKAAJ-NSHDSACASA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H](NC(=O)C(N)=O)C1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001286210920 788733293 /nfs/dbraw/zinc/73/32/93/788733293.db2.gz XPIHIVUHLXIDHU-JTQLQIEISA-N 1 0 336.396 -1.493 20 0 EAADRO C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001286210921 788733510 /nfs/dbraw/zinc/73/35/10/788733510.db2.gz XPIHIVUHLXIDHU-SNVBAGLBSA-N 1 0 336.396 -1.493 20 0 EAADRO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001286213364 788733720 /nfs/dbraw/zinc/73/37/20/788733720.db2.gz ZDEFTVMMXCTBRK-KOLCDFICSA-N 1 0 339.396 -1.501 20 0 EAADRO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001286213369 788733770 /nfs/dbraw/zinc/73/37/70/788733770.db2.gz ZDEFTVMMXCTBRK-ONGXEEELSA-N 1 0 339.396 -1.501 20 0 EAADRO C[C@@H](NC(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001286215702 788734745 /nfs/dbraw/zinc/73/47/45/788734745.db2.gz KBFZPUWIUZPZHF-NXEZZACHSA-N 1 0 347.375 -1.032 20 0 EAADRO C[C@H](NC(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001286215703 788734673 /nfs/dbraw/zinc/73/46/73/788734673.db2.gz KBFZPUWIUZPZHF-UWVGGRQHSA-N 1 0 347.375 -1.032 20 0 EAADRO C[C@H](NC(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001286215704 788734631 /nfs/dbraw/zinc/73/46/31/788734631.db2.gz KBFZPUWIUZPZHF-VHSXEESVSA-N 1 0 347.375 -1.032 20 0 EAADRO C[C@@H](NC(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001286215705 788734569 /nfs/dbraw/zinc/73/45/69/788734569.db2.gz KBFZPUWIUZPZHF-ZJUUUORDSA-N 1 0 347.375 -1.032 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001286220549 788734666 /nfs/dbraw/zinc/73/46/66/788734666.db2.gz LBTAXQQLFVWOQN-HNNXBMFYSA-N 1 0 326.397 -1.357 20 0 EAADRO C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001286220550 788734955 /nfs/dbraw/zinc/73/49/55/788734955.db2.gz LBTAXQQLFVWOQN-OAHLLOKOSA-N 1 0 326.397 -1.357 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001286221232 788734875 /nfs/dbraw/zinc/73/48/75/788734875.db2.gz RHOJUHCOTBKWOG-HNNXBMFYSA-N 1 0 342.396 -2.120 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001286221233 788734765 /nfs/dbraw/zinc/73/47/65/788734765.db2.gz RHOJUHCOTBKWOG-OAHLLOKOSA-N 1 0 342.396 -2.120 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001286223476 788734974 /nfs/dbraw/zinc/73/49/74/788734974.db2.gz NEDBLERWUPPIJI-HNNXBMFYSA-N 1 0 326.397 -1.358 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001286223477 788734804 /nfs/dbraw/zinc/73/48/04/788734804.db2.gz NEDBLERWUPPIJI-OAHLLOKOSA-N 1 0 326.397 -1.358 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)CC1 ZINC001286263600 788738233 /nfs/dbraw/zinc/73/82/33/788738233.db2.gz PDKUTZCZIKKREL-XYYAHUGASA-N 1 0 338.408 -1.597 20 0 EAADRO C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001286271110 788738937 /nfs/dbraw/zinc/73/89/37/788738937.db2.gz WWIXXKOQYOJBAU-NEPJUHHUSA-N 1 0 344.412 -1.828 20 0 EAADRO C[C@H](NC(=O)COCC[NH+](C)C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001286271112 788739001 /nfs/dbraw/zinc/73/90/01/788739001.db2.gz WWIXXKOQYOJBAU-NWDGAFQWSA-N 1 0 344.412 -1.828 20 0 EAADRO C[C@H](NC(=O)COCC[NH+](C)C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001286271113 788738898 /nfs/dbraw/zinc/73/88/98/788738898.db2.gz WWIXXKOQYOJBAU-RYUDHWBXSA-N 1 0 344.412 -1.828 20 0 EAADRO C[C@@H](NC(=O)COCC[NH+](C)C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001286271115 788738717 /nfs/dbraw/zinc/73/87/17/788738717.db2.gz WWIXXKOQYOJBAU-VXGBXAGGSA-N 1 0 344.412 -1.828 20 0 EAADRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001286288948 788740084 /nfs/dbraw/zinc/74/00/84/788740084.db2.gz FBIITLUZCURFNQ-GHMZBOCLSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001286288949 788740018 /nfs/dbraw/zinc/74/00/18/788740018.db2.gz FBIITLUZCURFNQ-MNOVXSKESA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001286288950 788739953 /nfs/dbraw/zinc/73/99/53/788739953.db2.gz FBIITLUZCURFNQ-QWRGUYRKSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001286288951 788740111 /nfs/dbraw/zinc/74/01/11/788740111.db2.gz FBIITLUZCURFNQ-WDEREUQCSA-N 1 0 326.397 -1.312 20 0 EAADRO C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001286293293 788741457 /nfs/dbraw/zinc/74/14/57/788741457.db2.gz REIUJAKJPFLODV-NEPJUHHUSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001286293294 788741157 /nfs/dbraw/zinc/74/11/57/788741157.db2.gz REIUJAKJPFLODV-NWDGAFQWSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001286293296 788741058 /nfs/dbraw/zinc/74/10/58/788741058.db2.gz REIUJAKJPFLODV-RYUDHWBXSA-N 1 0 340.424 -1.064 20 0 EAADRO C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001286293298 788741698 /nfs/dbraw/zinc/74/16/98/788741698.db2.gz REIUJAKJPFLODV-VXGBXAGGSA-N 1 0 340.424 -1.064 20 0 EAADRO C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001286400856 788741548 /nfs/dbraw/zinc/74/15/48/788741548.db2.gz AERJIFNBSVAFPC-JHJVBQTASA-N 1 0 340.424 -1.146 20 0 EAADRO C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H](NC(=O)CC(N)=O)C2)CC1 ZINC001286403555 788742509 /nfs/dbraw/zinc/74/25/09/788742509.db2.gz LBUTWZRFSYAJEG-HAQNSBGRSA-N 1 0 340.424 -1.016 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@H](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001286937896 788743888 /nfs/dbraw/zinc/74/38/88/788743888.db2.gz BYSAXDKRMKUOTH-NEPJUHHUSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001286937897 788744148 /nfs/dbraw/zinc/74/41/48/788744148.db2.gz BYSAXDKRMKUOTH-NWDGAFQWSA-N 1 0 348.469 -1.112 20 0 EAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001286937898 788744047 /nfs/dbraw/zinc/74/40/47/788744047.db2.gz 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788813918 /nfs/dbraw/zinc/81/39/18/788813918.db2.gz PAEHGRKNOZIIHS-VXGBXAGGSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001288122329 788813759 /nfs/dbraw/zinc/81/37/59/788813759.db2.gz PUDSJCMZNHUXFL-GHMZBOCLSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001288122330 788814317 /nfs/dbraw/zinc/81/43/17/788814317.db2.gz PUDSJCMZNHUXFL-MNOVXSKESA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001288122331 788813362 /nfs/dbraw/zinc/81/33/62/788813362.db2.gz PUDSJCMZNHUXFL-QWRGUYRKSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1)[NH+](C)C ZINC001288122333 788813564 /nfs/dbraw/zinc/81/35/64/788813564.db2.gz PUDSJCMZNHUXFL-WDEREUQCSA-N 1 0 328.413 -1.472 20 0 EAADRO CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)[C@]1(C)CCNC1=O ZINC001288123481 788813191 /nfs/dbraw/zinc/81/31/91/788813191.db2.gz 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ZINC001289042554 788839103 /nfs/dbraw/zinc/83/91/03/788839103.db2.gz JFEJJLFKQQSFKU-ZIAGYGMSSA-N 1 0 348.403 -1.075 20 0 EAADRO CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289043019 788839673 /nfs/dbraw/zinc/83/96/73/788839673.db2.gz OPMQUEXSCVFFQX-ZYHUDNBSSA-N 1 0 335.364 -1.676 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289043534 788839602 /nfs/dbraw/zinc/83/96/02/788839602.db2.gz UATSAAXXLAQQHI-FRRDWIJNSA-N 1 0 340.424 -1.187 20 0 EAADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289043538 788838813 /nfs/dbraw/zinc/83/88/13/788838813.db2.gz UATSAAXXLAQQHI-JHJVBQTASA-N 1 0 340.424 -1.187 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289043853 788839365 /nfs/dbraw/zinc/83/93/65/788839365.db2.gz WCXSKHJKYMGNHM-GRYCIOLGSA-N 1 0 326.397 -1.576 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289043854 788838980 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ZINC001289097735 788842878 /nfs/dbraw/zinc/84/28/78/788842878.db2.gz NBTOQRZIQRVNLP-ZIAGYGMSSA-N 1 0 336.392 -1.038 20 0 EAADRO CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001289100680 788843157 /nfs/dbraw/zinc/84/31/57/788843157.db2.gz BOFKPUDXPMIARR-GHMZBOCLSA-N 1 0 326.397 -1.718 20 0 EAADRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1)C1CCC1 ZINC001289101627 788843407 /nfs/dbraw/zinc/84/34/07/788843407.db2.gz QTEDRZASEOPQTF-VXGBXAGGSA-N 1 0 340.424 -1.330 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001289113567 788843093 /nfs/dbraw/zinc/84/30/93/788843093.db2.gz NDBKXNBTRCECJM-ZIAGYGMSSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCOCCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001289113769 788842721 /nfs/dbraw/zinc/84/27/21/788842721.db2.gz SBPRTOONPKEYEL-ZIAGYGMSSA-N 1 0 343.424 -1.177 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001289114090 788842709 /nfs/dbraw/zinc/84/27/09/788842709.db2.gz YEFMQPUSWGDYLH-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC1 ZINC001289127464 788844641 /nfs/dbraw/zinc/84/46/41/788844641.db2.gz LUGDQWANMCLRDV-VXGBXAGGSA-N 1 0 338.408 -1.704 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O)[NH+](C)C ZINC001289134546 788845101 /nfs/dbraw/zinc/84/51/01/788845101.db2.gz FUKTVNHADLYCCM-HZSPNIEDSA-N 1 0 336.392 -1.038 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O)[NH+](C)C ZINC001289134547 788844724 /nfs/dbraw/zinc/84/47/24/788844724.db2.gz FUKTVNHADLYCCM-MGPQQGTHSA-N 1 0 336.392 -1.038 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001289134820 788844029 /nfs/dbraw/zinc/84/40/29/788844029.db2.gz ISNXQFLCUNNVOZ-VXGBXAGGSA-N 1 0 338.408 -1.752 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001289136037 788844394 /nfs/dbraw/zinc/84/43/94/788844394.db2.gz ZHYGOLGDVHOMBU-JHJVBQTASA-N 1 0 340.424 -1.458 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001289136038 788844744 /nfs/dbraw/zinc/84/47/44/788844744.db2.gz ZHYGOLGDVHOMBU-YNEHKIRRSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001289143351 788844968 /nfs/dbraw/zinc/84/49/68/788844968.db2.gz AQFXRQARZLBYNU-VXGBXAGGSA-N 1 0 343.428 -1.665 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001289143587 788844080 /nfs/dbraw/zinc/84/40/80/788844080.db2.gz LMOIBBZMPQUUMI-GHMZBOCLSA-N 1 0 329.401 -1.926 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001289144171 788845021 /nfs/dbraw/zinc/84/50/21/788845021.db2.gz VOBVFCGFLYZYMH-CHWSQXEVSA-N 1 0 338.412 -1.302 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC001289144360 788844979 /nfs/dbraw/zinc/84/49/79/788844979.db2.gz YESDTCVUSMOVJC-VXGBXAGGSA-N 1 0 349.453 -1.549 20 0 EAADRO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001289144373 788844545 /nfs/dbraw/zinc/84/45/45/788844545.db2.gz YTWBOVIKEBHCTF-VXGBXAGGSA-N 1 0 338.412 -1.152 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1O ZINC001289145684 788844576 /nfs/dbraw/zinc/84/45/76/788844576.db2.gz GUFQIZGGCPVSLG-HSMVNMDESA-N 1 0 340.424 -1.458 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1O ZINC001289145685 788844249 /nfs/dbraw/zinc/84/42/49/788844249.db2.gz GUFQIZGGCPVSLG-XHBSWPGZSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O ZINC001289146471 788846092 /nfs/dbraw/zinc/84/60/92/788846092.db2.gz RDHVVFWTBKVMIP-ZIAGYGMSSA-N 1 0 336.392 -1.037 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)CCC1 ZINC001289146527 788845817 /nfs/dbraw/zinc/84/58/17/788845817.db2.gz UNPFOYHYQOVOCG-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO COCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001289159019 788845992 /nfs/dbraw/zinc/84/59/92/788845992.db2.gz DGCBESXLPCIQTP-HZSPNIEDSA-N 1 0 343.424 -1.178 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 ZINC001289164993 788845796 /nfs/dbraw/zinc/84/57/96/788845796.db2.gz DATVKMFKILNDQB-VXGBXAGGSA-N 1 0 337.380 -1.644 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001289169475 788845718 /nfs/dbraw/zinc/84/57/18/788845718.db2.gz MDEASKBOXGINFP-VXGBXAGGSA-N 1 0 328.413 -1.458 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001289170561 788846379 /nfs/dbraw/zinc/84/63/79/788846379.db2.gz NRYQQPPQFWYZSW-CHWSQXEVSA-N 1 0 340.424 -1.459 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1O ZINC001289170591 788845527 /nfs/dbraw/zinc/84/55/27/788845527.db2.gz VVBYYICAXKUACH-JHJVBQTASA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1O ZINC001289170592 788846282 /nfs/dbraw/zinc/84/62/82/788846282.db2.gz VVBYYICAXKUACH-YNEHKIRRSA-N 1 0 340.424 -1.458 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001289170651 788846742 /nfs/dbraw/zinc/84/67/42/788846742.db2.gz YFTAJWUHIPFCEX-VXGBXAGGSA-N 1 0 340.424 -1.458 20 0 EAADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001289174766 788847682 /nfs/dbraw/zinc/84/76/82/788847682.db2.gz BBJUPGFDFYYQTE-IJLUTSLNSA-N 1 0 338.408 -1.576 20 0 EAADRO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001289174767 788847555 /nfs/dbraw/zinc/84/75/55/788847555.db2.gz BBJUPGFDFYYQTE-QJPTWQEYSA-N 1 0 338.408 -1.576 20 0 EAADRO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001289175590 788846929 /nfs/dbraw/zinc/84/69/29/788846929.db2.gz UEYMTMXBVJFBIZ-IJLUTSLNSA-N 1 0 340.424 -1.474 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1O ZINC001289175592 788847635 /nfs/dbraw/zinc/84/76/35/788847635.db2.gz BXHIQSWGYOACNP-VXGBXAGGSA-N 1 0 328.413 -1.328 20 0 EAADRO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1)[NH+](C)C ZINC001289175596 788847184 /nfs/dbraw/zinc/84/71/84/788847184.db2.gz UEYMTMXBVJFBIZ-UTUOFQBUSA-N 1 0 340.424 -1.474 20 0 EAADRO COCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001289176462 788846859 /nfs/dbraw/zinc/84/68/59/788846859.db2.gz OLQMKCGKVVUPPY-JHJVBQTASA-N 1 0 331.413 -1.323 20 0 EAADRO COCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001289176463 788847025 /nfs/dbraw/zinc/84/70/25/788847025.db2.gz OLQMKCGKVVUPPY-YNEHKIRRSA-N 1 0 331.413 -1.323 20 0 EAADRO CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001289181810 788847359 /nfs/dbraw/zinc/84/73/59/788847359.db2.gz FQBBIJTVQPJYNA-LALPHHSUSA-N 1 0 342.440 -1.213 20 0 EAADRO COCCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001289188491 788847237 /nfs/dbraw/zinc/84/72/37/788847237.db2.gz JAQYRFFGNZSBHN-BFHYXJOUSA-N 1 0 343.424 -1.321 20 0 EAADRO COCCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001289188493 788846721 /nfs/dbraw/zinc/84/67/21/788846721.db2.gz JAQYRFFGNZSBHN-MGPQQGTHSA-N 1 0 343.424 -1.321 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1O ZINC001289189554 788847404 /nfs/dbraw/zinc/84/74/04/788847404.db2.gz LKWXHCUBCKYTKR-HSMVNMDESA-N 1 0 340.424 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1O ZINC001289189555 788846788 /nfs/dbraw/zinc/84/67/88/788846788.db2.gz LKWXHCUBCKYTKR-XHBSWPGZSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001289195751 788847349 /nfs/dbraw/zinc/84/73/49/788847349.db2.gz AVGQCKAWGIJQGL-VXGBXAGGSA-N 1 0 340.384 -2.456 20 0 EAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001289304512 788848853 /nfs/dbraw/zinc/84/88/53/788848853.db2.gz CEUQVULFIPTAHH-FRRDWIJNSA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001289304515 788848382 /nfs/dbraw/zinc/84/83/82/788848382.db2.gz CEUQVULFIPTAHH-JHJVBQTASA-N 1 0 340.424 -1.207 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001289376999 788848251 /nfs/dbraw/zinc/84/82/51/788848251.db2.gz ZJVHYOZYAOSGCG-FRRDWIJNSA-N 1 0 340.424 -1.336 20 0 EAADRO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001289377000 788848018 /nfs/dbraw/zinc/84/80/18/788848018.db2.gz ZJVHYOZYAOSGCG-JHJVBQTASA-N 1 0 340.424 -1.336 20 0 EAADRO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1OC ZINC001289448719 788849419 /nfs/dbraw/zinc/84/94/19/788849419.db2.gz KEDJCVVERXCZKT-JHJVBQTASA-N 1 0 331.413 -1.059 20 0 EAADRO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1OC ZINC001289448720 788850378 /nfs/dbraw/zinc/85/03/78/788850378.db2.gz KEDJCVVERXCZKT-YNEHKIRRSA-N 1 0 331.413 -1.059 20 0 EAADRO CO[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CC(N)=O ZINC001289460698 788850304 /nfs/dbraw/zinc/85/03/04/788850304.db2.gz LYLZTKQMQGLNGD-JHJVBQTASA-N 1 0 338.408 -1.454 20 0 EAADRO CO[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CC(N)=O ZINC001289460699 788849326 /nfs/dbraw/zinc/84/93/26/788849326.db2.gz LYLZTKQMQGLNGD-YNEHKIRRSA-N 1 0 338.408 -1.454 20 0 EAADRO CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001289473063 788849273 /nfs/dbraw/zinc/84/92/73/788849273.db2.gz KAJJIEIIAXNFBH-UMVBOHGHSA-N 1 0 345.440 -1.077 20 0 EAADRO CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OC ZINC001289496895 788850266 /nfs/dbraw/zinc/85/02/66/788850266.db2.gz ZDTBQMISKSPGHN-GMTAPVOTSA-N 1 0 332.376 -1.506 20 0 EAADRO CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OC ZINC001289496896 788850187 /nfs/dbraw/zinc/85/01/87/788850187.db2.gz ZDTBQMISKSPGHN-HBNTYKKESA-N 1 0 332.376 -1.506 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1OC)[NH+](C)C ZINC001289516197 788851309 /nfs/dbraw/zinc/85/13/09/788851309.db2.gz KXTUHPHOCBYEPA-GRYCIOLGSA-N 1 0 328.413 -1.195 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1OC)[NH+](C)C ZINC001289516211 788851195 /nfs/dbraw/zinc/85/11/95/788851195.db2.gz KXTUHPHOCBYEPA-IJLUTSLNSA-N 1 0 328.413 -1.195 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](OC)C1)[NH+](C)C ZINC001289535664 788850650 /nfs/dbraw/zinc/85/06/50/788850650.db2.gz GTLCUPKAKSHACL-IJLUTSLNSA-N 1 0 340.424 -1.066 20 0 EAADRO CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001289542164 788851273 /nfs/dbraw/zinc/85/12/73/788851273.db2.gz ROJMQJHANCYCFW-JTNHKYCSSA-N 1 0 328.413 -1.210 20 0 EAADRO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001289555899 788851580 /nfs/dbraw/zinc/85/15/80/788851580.db2.gz IPTJCPDQFWLQNK-OLZOCXBDSA-N 1 0 328.413 -1.458 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001289559090 788852108 /nfs/dbraw/zinc/85/21/08/788852108.db2.gz VXUCDLKTCDTGLM-AGIUHOORSA-N 1 0 329.397 -1.569 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001289559091 788852811 /nfs/dbraw/zinc/85/28/11/788852811.db2.gz VXUCDLKTCDTGLM-FRRDWIJNSA-N 1 0 329.397 -1.569 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001289570966 788852492 /nfs/dbraw/zinc/85/24/92/788852492.db2.gz GBAWLWDERINRCY-NEPJUHHUSA-N 1 0 325.369 -1.711 20 0 EAADRO C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001289581045 788853856 /nfs/dbraw/zinc/85/38/56/788853856.db2.gz XVMCQZOGEPFZNG-NEPJUHHUSA-N 1 0 349.453 -1.549 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@@H](O)C1 ZINC001289583840 788853527 /nfs/dbraw/zinc/85/35/27/788853527.db2.gz LGUILULSJWFJRM-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@@H](O)C1 ZINC001289583842 788853323 /nfs/dbraw/zinc/85/33/23/788853323.db2.gz LGUILULSJWFJRM-MJBXVCDLSA-N 1 0 343.424 -1.321 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)COCCOC)[C@@H](O)C1)[NH+](C)C ZINC001289589750 788854317 /nfs/dbraw/zinc/85/43/17/788854317.db2.gz AHOTYQUMISHFSW-AGIUHOORSA-N 1 0 331.413 -1.323 20 0 EAADRO COCCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001289590470 788853774 /nfs/dbraw/zinc/85/37/74/788853774.db2.gz DZWCTSKWYPCHKH-AGIUHOORSA-N 1 0 329.397 -1.569 20 0 EAADRO COCCOCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001289590471 788854034 /nfs/dbraw/zinc/85/40/34/788854034.db2.gz DZWCTSKWYPCHKH-UPJWGTAASA-N 1 0 329.397 -1.569 20 0 EAADRO COCCCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001289590534 788853371 /nfs/dbraw/zinc/85/33/71/788853371.db2.gz GZZXUACTLORRLR-RDBSUJKOSA-N 1 0 343.424 -1.178 20 0 EAADRO CCC(=O)NCC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001289590760 788853767 /nfs/dbraw/zinc/85/37/67/788853767.db2.gz IBWLWEFYGZGISE-OLZOCXBDSA-N 1 0 342.440 -1.068 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)CC1 ZINC001289591103 788854174 /nfs/dbraw/zinc/85/41/74/788854174.db2.gz LCBMLUKCDBKBEH-UTUOFQBUSA-N 1 0 338.408 -1.705 20 0 EAADRO CNC(=O)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)CC1 ZINC001289591106 788854084 /nfs/dbraw/zinc/85/40/84/788854084.db2.gz LCBMLUKCDBKBEH-WOPDTQHZSA-N 1 0 338.408 -1.705 20 0 EAADRO COCCOCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001289591606 788854125 /nfs/dbraw/zinc/85/41/25/788854125.db2.gz RPGXJDMGYOFTBD-OLZOCXBDSA-N 1 0 341.408 -1.567 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)[NH+](CC)CC ZINC001289594923 788855099 /nfs/dbraw/zinc/85/50/99/788855099.db2.gz XTVKQFIEMFXZHO-UTUOFQBUSA-N 1 0 328.413 -1.330 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)[NH+](CC)CC ZINC001289594928 788855780 /nfs/dbraw/zinc/85/57/80/788855780.db2.gz XTVKQFIEMFXZHO-WOPDTQHZSA-N 1 0 328.413 -1.330 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001289616453 788856258 /nfs/dbraw/zinc/85/62/58/788856258.db2.gz NMFDDILQLWVPMK-MNOVXSKESA-N 1 0 345.400 -2.689 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O ZINC001289629506 788857733 /nfs/dbraw/zinc/85/77/33/788857733.db2.gz ANEHDQKLMZEWBH-KGLIPLIRSA-N 1 0 336.392 -1.037 20 0 EAADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001289642606 788857530 /nfs/dbraw/zinc/85/75/30/788857530.db2.gz FBCYYEWPGBWOBV-AGIUHOORSA-N 1 0 340.424 -1.315 20 0 EAADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001289642607 788857801 /nfs/dbraw/zinc/85/78/01/788857801.db2.gz FBCYYEWPGBWOBV-UPJWGTAASA-N 1 0 340.424 -1.315 20 0 EAADRO CCOCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001289647306 788858366 /nfs/dbraw/zinc/85/83/66/788858366.db2.gz HWNRBEOBCKAADK-MCIONIFRSA-N 1 0 343.424 -1.321 20 0 EAADRO CCOCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001289647307 788857978 /nfs/dbraw/zinc/85/79/78/788857978.db2.gz HWNRBEOBCKAADK-MJBXVCDLSA-N 1 0 343.424 -1.321 20 0 EAADRO CCOCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001289647842 788858511 /nfs/dbraw/zinc/85/85/11/788858511.db2.gz RNEARQLSJFGDMG-MCIONIFRSA-N 1 0 343.424 -1.178 20 0 EAADRO CCOCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001289647843 788857660 /nfs/dbraw/zinc/85/76/60/788857660.db2.gz RNEARQLSJFGDMG-RDBSUJKOSA-N 1 0 343.424 -1.178 20 0 EAADRO CN(C)C(=O)CC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001289648783 788857286 /nfs/dbraw/zinc/85/72/86/788857286.db2.gz JGSVBWWOIYRYQJ-NEPJUHHUSA-N 1 0 340.424 -1.363 20 0 EAADRO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001289650030 788858209 /nfs/dbraw/zinc/85/82/09/788858209.db2.gz DLNNLUWBIZQXEU-XUJVJEKNSA-N 1 0 342.440 -1.261 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001289650555 788859322 /nfs/dbraw/zinc/85/93/22/788859322.db2.gz MRKMQQQIXNFIAF-SUNKGSAMSA-N 1 0 328.413 -1.603 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001289651056 788858786 /nfs/dbraw/zinc/85/87/86/788858786.db2.gz YDUILOBGDDCJKB-MNOVXSKESA-N 1 0 328.413 -1.472 20 0 EAADRO CNC(=O)CCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001289654534 788858938 /nfs/dbraw/zinc/85/89/38/788858938.db2.gz NDIRWLHRYCMWCK-OLZOCXBDSA-N 1 0 342.440 -1.068 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O)[NH+](C)C ZINC001289658756 788859648 /nfs/dbraw/zinc/85/96/48/788859648.db2.gz FUUCDHFEJKNGGR-MXWKQRLJSA-N 1 0 328.413 -1.474 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001289662716 788859386 /nfs/dbraw/zinc/85/93/86/788859386.db2.gz TVYITGFROZFRKQ-UPJWGTAASA-N 1 0 340.424 -1.315 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001289662717 788859112 /nfs/dbraw/zinc/85/91/12/788859112.db2.gz TVYITGFROZFRKQ-XQQFMLRXSA-N 1 0 340.424 -1.315 20 0 EAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001289667923 788859735 /nfs/dbraw/zinc/85/97/35/788859735.db2.gz SCYNGJAQDLBVKF-BBBLOLIVSA-N 1 0 348.350 -1.850 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CC1 ZINC001289675073 788859163 /nfs/dbraw/zinc/85/91/63/788859163.db2.gz UKBODZDGVSOIIM-MNOVXSKESA-N 1 0 326.397 -1.848 20 0 EAADRO CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC001289676604 788861089 /nfs/dbraw/zinc/86/10/89/788861089.db2.gz CSEDDULRHZLHPP-UTUOFQBUSA-N 1 0 338.408 -1.705 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O)[NH+](C)C ZINC001289687948 788860319 /nfs/dbraw/zinc/86/03/19/788860319.db2.gz FUUCDHFEJKNGGR-VWYCJHECSA-N 1 0 328.413 -1.474 20 0 EAADRO CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001289688245 788861537 /nfs/dbraw/zinc/86/15/37/788861537.db2.gz KPIMULPNOYRCIT-UTUOFQBUSA-N 1 0 328.413 -1.507 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001289688247 788860973 /nfs/dbraw/zinc/86/09/73/788860973.db2.gz KPIMULPNOYRCIT-WOPDTQHZSA-N 1 0 328.413 -1.507 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001289690583 788860162 /nfs/dbraw/zinc/86/01/62/788860162.db2.gz QQUKMSSZVOVTAL-MNOVXSKESA-N 1 0 326.353 -1.446 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1O ZINC001289692562 788860506 /nfs/dbraw/zinc/86/05/06/788860506.db2.gz BXRDXQAPUOLNOE-UTUOFQBUSA-N 1 0 342.396 -1.485 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1O ZINC001289692563 788860438 /nfs/dbraw/zinc/86/04/38/788860438.db2.gz BXRDXQAPUOLNOE-WOPDTQHZSA-N 1 0 342.396 -1.485 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001289692794 788860823 /nfs/dbraw/zinc/86/08/23/788860823.db2.gz HVCBEVMVTYFZMA-OLZOCXBDSA-N 1 0 338.412 -1.302 20 0 EAADRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC001289693378 788860477 /nfs/dbraw/zinc/86/04/77/788860477.db2.gz SGFJTLYGFOFOSH-NEPJUHHUSA-N 1 0 339.400 -1.907 20 0 EAADRO CNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001289696506 788861292 /nfs/dbraw/zinc/86/12/92/788861292.db2.gz MRKMQQQIXNFIAF-UHIISALHSA-N 1 0 328.413 -1.603 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001289699742 788862208 /nfs/dbraw/zinc/86/22/08/788862208.db2.gz XDCVZVPAADSYBE-TUAOUCFPSA-N 1 0 326.397 -1.849 20 0 EAADRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001289699743 788862750 /nfs/dbraw/zinc/86/27/50/788862750.db2.gz XDCVZVPAADSYBE-UTUOFQBUSA-N 1 0 326.397 -1.849 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001289705418 788861945 /nfs/dbraw/zinc/86/19/45/788861945.db2.gz NVCLJFBOSHZQEQ-ZJUUUORDSA-N 1 0 326.357 -2.316 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001289713341 788862906 /nfs/dbraw/zinc/86/29/06/788862906.db2.gz DATVKMFKILNDQB-NEPJUHHUSA-N 1 0 337.380 -1.644 20 0 EAADRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C(=O)NCC3CC3)[C@@H](O)C2)C1 ZINC001289717857 788862529 /nfs/dbraw/zinc/86/25/29/788862529.db2.gz CWAWXYUDHINIPN-UPJWGTAASA-N 1 0 338.408 -1.848 20 0 EAADRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C(=O)NCC3CC3)[C@@H](O)C2)C1 ZINC001289717859 788862713 /nfs/dbraw/zinc/86/27/13/788862713.db2.gz CWAWXYUDHINIPN-XQQFMLRXSA-N 1 0 338.408 -1.848 20 0 EAADRO C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001289718943 788861991 /nfs/dbraw/zinc/86/19/91/788861991.db2.gz VUMOMPWWRCJOFI-OLZOCXBDSA-N 1 0 340.424 -1.458 20 0 EAADRO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001289724403 788863339 /nfs/dbraw/zinc/86/33/39/788863339.db2.gz FONXZVPQLDWBOX-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CC[C@H](C(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1)[NH+](C)C ZINC001289725031 788863655 /nfs/dbraw/zinc/86/36/55/788863655.db2.gz RWFYXRHCUHWUHX-MXWKQRLJSA-N 1 0 326.397 -1.720 20 0 EAADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1)[NH+](C)C ZINC001289725032 788863362 /nfs/dbraw/zinc/86/33/62/788863362.db2.gz 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-1.718 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC001290788289 788882720 /nfs/dbraw/zinc/88/27/20/788882720.db2.gz BRKQMKKQTYVONT-NEPJUHHUSA-N 1 0 342.396 -2.340 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC001290788290 788883599 /nfs/dbraw/zinc/88/35/99/788883599.db2.gz BRKQMKKQTYVONT-NWDGAFQWSA-N 1 0 342.396 -2.340 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)CC1 ZINC001290788291 788883274 /nfs/dbraw/zinc/88/32/74/788883274.db2.gz BRKQMKKQTYVONT-RYUDHWBXSA-N 1 0 342.396 -2.340 20 0 EAADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2O)CC1 ZINC001290788292 788883154 /nfs/dbraw/zinc/88/31/54/788883154.db2.gz BRKQMKKQTYVONT-VXGBXAGGSA-N 1 0 342.396 -2.340 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001290788802 788883547 /nfs/dbraw/zinc/88/35/47/788883547.db2.gz FNURRIQJFJFZBI-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001290788803 788882915 /nfs/dbraw/zinc/88/29/15/788882915.db2.gz FNURRIQJFJFZBI-OLZOCXBDSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001290788805 788883318 /nfs/dbraw/zinc/88/33/18/788883318.db2.gz FNURRIQJFJFZBI-QWHCGFSZSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001290788807 788882628 /nfs/dbraw/zinc/88/26/28/788882628.db2.gz FNURRIQJFJFZBI-STQMWFEESA-N 1 0 340.424 -1.458 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001290791194 788885035 /nfs/dbraw/zinc/88/50/35/788885035.db2.gz ZHRHSJNFPFZTCM-NEPJUHHUSA-N 1 0 340.424 -1.328 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001290791195 788885143 /nfs/dbraw/zinc/88/51/43/788885143.db2.gz ZHRHSJNFPFZTCM-NWDGAFQWSA-N 1 0 340.424 -1.328 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC001290791196 788885209 /nfs/dbraw/zinc/88/52/09/788885209.db2.gz ZHRHSJNFPFZTCM-RYUDHWBXSA-N 1 0 340.424 -1.328 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001290791197 788884307 /nfs/dbraw/zinc/88/43/07/788884307.db2.gz ZHRHSJNFPFZTCM-VXGBXAGGSA-N 1 0 340.424 -1.328 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001290793571 788885271 /nfs/dbraw/zinc/88/52/71/788885271.db2.gz AUBVVSWGQDFXFP-GHMZBOCLSA-N 1 0 328.413 -1.472 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001290793573 788884202 /nfs/dbraw/zinc/88/42/02/788884202.db2.gz AUBVVSWGQDFXFP-MNOVXSKESA-N 1 0 328.413 -1.472 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O ZINC001290793574 788884418 /nfs/dbraw/zinc/88/44/18/788884418.db2.gz AUBVVSWGQDFXFP-QWRGUYRKSA-N 1 0 328.413 -1.472 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001290793575 788884046 /nfs/dbraw/zinc/88/40/46/788884046.db2.gz AUBVVSWGQDFXFP-WDEREUQCSA-N 1 0 328.413 -1.472 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001290794561 788884970 /nfs/dbraw/zinc/88/49/70/788884970.db2.gz KGHMHPKUJQQUHB-NEPJUHHUSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)C[C@H]1O ZINC001290794562 788885106 /nfs/dbraw/zinc/88/51/06/788885106.db2.gz KGHMHPKUJQQUHB-NWDGAFQWSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1O ZINC001290794563 788883954 /nfs/dbraw/zinc/88/39/54/788883954.db2.gz KGHMHPKUJQQUHB-RYUDHWBXSA-N 1 0 328.413 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)C[C@H]1O ZINC001290794564 788884107 /nfs/dbraw/zinc/88/41/07/788884107.db2.gz KGHMHPKUJQQUHB-VXGBXAGGSA-N 1 0 328.413 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1O ZINC001290794688 788884506 /nfs/dbraw/zinc/88/45/06/788884506.db2.gz LCUQENIOCJCRDP-CHWSQXEVSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@@H]1O ZINC001290794690 788885185 /nfs/dbraw/zinc/88/51/85/788885185.db2.gz LCUQENIOCJCRDP-OLZOCXBDSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1O ZINC001290794691 788883922 /nfs/dbraw/zinc/88/39/22/788883922.db2.gz LCUQENIOCJCRDP-QWHCGFSZSA-N 1 0 340.424 -1.458 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@@H]1O ZINC001290794693 788884954 /nfs/dbraw/zinc/88/49/54/788884954.db2.gz LCUQENIOCJCRDP-STQMWFEESA-N 1 0 340.424 -1.458 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C[C@H]1O ZINC001290795790 788886381 /nfs/dbraw/zinc/88/63/81/788886381.db2.gz RXEFJJOADQGDNQ-CHWSQXEVSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C[C@@H]1O ZINC001290795791 788886021 /nfs/dbraw/zinc/88/60/21/788886021.db2.gz RXEFJJOADQGDNQ-OLZOCXBDSA-N 1 0 342.440 -1.116 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CC(=O)N(C)C)C[C@H]1O ZINC001290795792 788886530 /nfs/dbraw/zinc/88/65/30/788886530.db2.gz RXEFJJOADQGDNQ-QWHCGFSZSA-N 1 0 342.440 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C[N@@H+]1CCCC[C@H]1C(=O)N1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001291696929 788888696 /nfs/dbraw/zinc/88/86/96/788888696.db2.gz QRJXVBCKFYVTSY-LBPRGKRZSA-N 1 0 349.395 -1.753 20 0 EAADRO CC(C)[N@H+](C)CC(=O)NCc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001291697635 788888597 /nfs/dbraw/zinc/88/85/97/788888597.db2.gz ZIMWKYTYXVFUDF-UHFFFAOYSA-N 1 0 337.384 -1.897 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@@](C)(CNC(=O)CC(N)=O)C1)[NH+](C)C ZINC001291744791 788888752 /nfs/dbraw/zinc/88/87/52/788888752.db2.gz BMYXGNGSPXOUCF-NHYWBVRUSA-N 1 0 328.413 -1.064 20 0 EAADRO CC[C@@H](C(=O)N1CCO[C@](C)(CNC(=O)CC(N)=O)C1)[NH+](C)C ZINC001291744792 788889636 /nfs/dbraw/zinc/88/96/36/788889636.db2.gz BMYXGNGSPXOUCF-XHDPSFHLSA-N 1 0 328.413 -1.064 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCO[C@@](C)(CNC(=O)CC(N)=O)C1 ZINC001291745057 788889331 /nfs/dbraw/zinc/88/93/31/788889331.db2.gz CBISBMSMUVRIBV-HNNXBMFYSA-N 1 0 328.413 -1.063 20 0 EAADRO CCC[N@H+](C)CC(=O)N1CCO[C@](C)(CNC(=O)CC(N)=O)C1 ZINC001291745059 788888489 /nfs/dbraw/zinc/88/84/89/788888489.db2.gz CBISBMSMUVRIBV-OAHLLOKOSA-N 1 0 328.413 -1.063 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCO[C@@](C)(CNC(=O)CC(N)=O)C1 ZINC001291746630 788888183 /nfs/dbraw/zinc/88/81/83/788888183.db2.gz ITCHJNKESCADIZ-HNNXBMFYSA-N 1 0 328.413 -1.063 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCO[C@](C)(CNC(=O)CC(N)=O)C1 ZINC001291746632 788888110 /nfs/dbraw/zinc/88/81/10/788888110.db2.gz ITCHJNKESCADIZ-OAHLLOKOSA-N 1 0 328.413 -1.063 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@@]2(C)CN(C(=O)C(N)=O)CCO2)CC1 ZINC001291746783 788889109 /nfs/dbraw/zinc/88/91/09/788889109.db2.gz ZZDCSLQQJGFORP-INIZCTEOSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+]1CCC(CC(=O)NC[C@]2(C)CN(C(=O)C(N)=O)CCO2)CC1 ZINC001291746784 788888147 /nfs/dbraw/zinc/88/81/47/788888147.db2.gz ZZDCSLQQJGFORP-MRXNPFEDSA-N 1 0 340.424 -1.063 20 0 EAADRO C[C@@]1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CN(C(=O)C(N)=O)CCO1 ZINC001291751490 788888555 /nfs/dbraw/zinc/88/85/55/788888555.db2.gz VJOFOFDRPWIPAK-BLLLJJGKSA-N 1 0 338.408 -1.453 20 0 EAADRO 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CC(C)[C@@H](C(=O)NCCCN1CCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001294667846 788982393 /nfs/dbraw/zinc/98/23/93/788982393.db2.gz GFCTYUBSGUTTAV-ZDUSSCGKSA-N 1 0 341.456 -1.292 20 0 EAADRO CC[N@H+](C)CCC(=O)N1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001294678471 788984039 /nfs/dbraw/zinc/98/40/39/788984039.db2.gz HYDSZRIVIKMCHZ-UHFFFAOYSA-N 1 0 327.429 -1.536 20 0 EAADRO CC[N@H+](C)C(C)(C)C(=O)N1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001294679659 788983960 /nfs/dbraw/zinc/98/39/60/788983960.db2.gz PKPGOIMOCVFUGV-UHFFFAOYSA-N 1 0 341.456 -1.148 20 0 EAADRO CC[NH+](CC)CC(=O)N1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001294680053 788984020 /nfs/dbraw/zinc/98/40/20/788984020.db2.gz SJKNGMKFGGSTFZ-UHFFFAOYSA-N 1 0 327.429 -1.536 20 0 EAADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN1CCN(C(=O)C(N)=O)CC1 ZINC001294681023 788983326 /nfs/dbraw/zinc/98/33/26/788983326.db2.gz SKTXOENTHIUVRJ-CYBMUJFWSA-N 1 0 339.440 -1.395 20 0 EAADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN1CCN(C(=O)C(N)=O)CC1 ZINC001294681024 788983482 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NC(=O)C(=O)NCCN1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001294687613 788984691 /nfs/dbraw/zinc/98/46/91/788984691.db2.gz PMQORKDWZSODBB-UHFFFAOYSA-N 1 0 337.424 -1.640 20 0 EAADRO CC[C@H](C(=O)N1CCN(CCNC(=O)C(N)=O)CC1)[NH+](CC)CC ZINC001294688058 788984946 /nfs/dbraw/zinc/98/49/46/788984946.db2.gz WNPHWKLBEMXCJA-CYBMUJFWSA-N 1 0 341.456 -1.148 20 0 EAADRO CC[C@@H](C(=O)N1CCN(CCNC(=O)C(N)=O)CC1)[NH+](CC)CC ZINC001294688059 788985145 /nfs/dbraw/zinc/98/51/45/788985145.db2.gz WNPHWKLBEMXCJA-ZDUSSCGKSA-N 1 0 341.456 -1.148 20 0 EAADRO NC(=O)C(=O)NCCN1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001294688061 788984518 /nfs/dbraw/zinc/98/45/18/788984518.db2.gz WOTYMEOPQSKYQI-UHFFFAOYSA-N 1 0 339.440 -1.392 20 0 EAADRO CC1CC[NH+](CC(=O)NCCN2CCN(C(=O)C(N)=O)CC2)CC1 ZINC001294688228 788984416 /nfs/dbraw/zinc/98/44/16/788984416.db2.gz ZZIKZVBJNBKLRB-UHFFFAOYSA-N 1 0 339.440 -1.536 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001294693759 788986172 /nfs/dbraw/zinc/98/61/72/788986172.db2.gz 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339.396 -1.405 20 0 EAADRO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)[NH+](C)C ZINC001294781743 788990293 /nfs/dbraw/zinc/99/02/93/788990293.db2.gz ZINLXGYJSJYJMX-MNOVXSKESA-N 1 0 339.396 -1.405 20 0 EAADRO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)[NH+](C)C ZINC001294781744 788990669 /nfs/dbraw/zinc/99/06/69/788990669.db2.gz ZINLXGYJSJYJMX-QWRGUYRKSA-N 1 0 339.396 -1.405 20 0 EAADRO CC[C@H](C(=O)N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)[NH+](C)C ZINC001294781745 788990396 /nfs/dbraw/zinc/99/03/96/788990396.db2.gz ZINLXGYJSJYJMX-WDEREUQCSA-N 1 0 339.396 -1.405 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294783165 788990559 /nfs/dbraw/zinc/99/05/59/788990559.db2.gz DSDMSRFKGOJQCP-NEPJUHHUSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294783166 788990546 /nfs/dbraw/zinc/99/05/46/788990546.db2.gz DSDMSRFKGOJQCP-NWDGAFQWSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294783167 788990632 /nfs/dbraw/zinc/99/06/32/788990632.db2.gz DSDMSRFKGOJQCP-RYUDHWBXSA-N 1 0 328.413 -1.207 20 0 EAADRO C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294783168 788990456 /nfs/dbraw/zinc/99/04/56/788990456.db2.gz DSDMSRFKGOJQCP-VXGBXAGGSA-N 1 0 328.413 -1.207 20 0 EAADRO CNS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001294785042 788990386 /nfs/dbraw/zinc/99/03/86/788990386.db2.gz PESQXQPRZIQGPA-GFCCVEGCSA-N 1 0 348.469 -1.015 20 0 EAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001294804939 788989958 /nfs/dbraw/zinc/98/99/58/788989958.db2.gz IGHOMEAVQLCIQT-JTQLQIEISA-N 1 0 325.369 -1.793 20 0 EAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001294804940 788990072 /nfs/dbraw/zinc/99/00/72/788990072.db2.gz IGHOMEAVQLCIQT-SNVBAGLBSA-N 1 0 325.369 -1.793 20 0 EAADRO C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001294815892 788991745 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325.369 -1.700 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001295137407 788999972 /nfs/dbraw/zinc/99/99/72/788999972.db2.gz AVLOKIWEAUOSQI-XYPYZODXSA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001295206194 789001055 /nfs/dbraw/zinc/00/10/55/789001055.db2.gz DBALOCOSFQTXOZ-TXEJJXNPSA-N 1 0 347.437 -1.627 20 0 EAADRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001295206698 789001334 /nfs/dbraw/zinc/00/13/34/789001334.db2.gz JLXHBAQONGOJRC-PHIMTYICSA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001295210261 789001008 /nfs/dbraw/zinc/00/10/08/789001008.db2.gz HCFAFCPVWQMOTR-RWMBFGLXSA-N 1 0 340.424 -1.146 20 0 EAADRO C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001295210263 789001571 /nfs/dbraw/zinc/00/15/71/789001571.db2.gz HCFAFCPVWQMOTR-UPJWGTAASA-N 1 0 340.424 -1.146 20 0 EAADRO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001295218355 789001352 /nfs/dbraw/zinc/00/13/52/789001352.db2.gz CSMBEJUHTIXLCE-OUAUKWLOSA-N 1 0 339.396 -1.358 20 0 EAADRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001295218483 789001809 /nfs/dbraw/zinc/00/18/09/789001809.db2.gz GFNDSBGFWDRJKV-PHIMTYICSA-N 1 0 339.396 -1.357 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCC[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001295263966 789002617 /nfs/dbraw/zinc/00/26/17/789002617.db2.gz NDJDUDQVHSPECG-GFCCVEGCSA-N 1 0 340.424 -1.063 20 0 EAADRO C[NH+]1CCC(OCC(=O)N2CCC[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001295263967 789002641 /nfs/dbraw/zinc/00/26/41/789002641.db2.gz NDJDUDQVHSPECG-LBPRGKRZSA-N 1 0 340.424 -1.063 20 0 EAADRO Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)COCC[NH+](C)C)C[C@H]32)n1 ZINC001295340190 789005284 /nfs/dbraw/zinc/00/52/84/789005284.db2.gz IXXOWBJSESEJNP-PJXYFTJBSA-N 1 0 336.396 -1.420 20 0 EAADRO C[NH+](C)CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 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WXIDZZMLTCJQGP-ZJUUUORDSA-N 1 0 339.396 -1.310 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH+](C)C ZINC001295530300 789012770 /nfs/dbraw/zinc/01/27/70/789012770.db2.gz QEDDZIGWUGNVBC-GWCFXTLKSA-N 1 0 341.412 -1.255 20 0 EAADRO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)CN1C(=O)CNC1=O)[NH+](C)C ZINC001295530302 789013201 /nfs/dbraw/zinc/01/32/01/789013201.db2.gz QEDDZIGWUGNVBC-MFKMUULPSA-N 1 0 341.412 -1.255 20 0 EAADRO C[C@@H](CNC(=O)c1cnc[nH]c1=O)NC(=O)COCC[NH+](C)C ZINC001295540523 789012873 /nfs/dbraw/zinc/01/28/73/789012873.db2.gz YVHHJAQFXCQZSA-JTQLQIEISA-N 1 0 325.369 -1.005 20 0 EAADRO C[C@H](CNC(=O)c1cnc[nH]c1=O)NC(=O)COCC[NH+](C)C ZINC001295540525 789012846 /nfs/dbraw/zinc/01/28/46/789012846.db2.gz YVHHJAQFXCQZSA-SNVBAGLBSA-N 1 0 325.369 -1.005 20 0 EAADRO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)CCC[NH+](C)C ZINC001295545050 789013866 /nfs/dbraw/zinc/01/38/66/789013866.db2.gz LCGMKSBOJHFBBW-UWVGGRQHSA-N 1 0 327.385 -1.453 20 0 EAADRO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)CCC[NH+](C)C ZINC001295545051 789014214 /nfs/dbraw/zinc/01/42/14/789014214.db2.gz LCGMKSBOJHFBBW-ZJUUUORDSA-N 1 0 327.385 -1.453 20 0 EAADRO CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001295572866 789015110 /nfs/dbraw/zinc/01/51/10/789015110.db2.gz DSXWREBNJAAGGX-LLVKDONJSA-N 1 0 341.412 -1.157 20 0 EAADRO C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)NC(=O)CC[NH+](C)C ZINC001295574888 789015294 /nfs/dbraw/zinc/01/52/94/789015294.db2.gz PZWMDIMMVRSVBF-JTQLQIEISA-N 1 0 327.385 -1.547 20 0 EAADRO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C1CC(=O)NC(=O)C1 ZINC001295576361 789015376 /nfs/dbraw/zinc/01/53/76/789015376.db2.gz WVXPKOVGRJEDEE-JTQLQIEISA-N 1 0 336.392 -1.244 20 0 EAADRO C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)CN1C(=O)CNC1=O ZINC001295611003 789016726 /nfs/dbraw/zinc/01/67/26/789016726.db2.gz ARJHZVXWJHBQKR-MNOVXSKESA-N 1 0 339.396 -1.357 20 0 EAADRO C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)CN1C(=O)CNC1=O ZINC001295611005 789016967 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NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCOC[C@H]2CO)C1 ZINC001312010227 789153794 /nfs/dbraw/zinc/15/37/94/789153794.db2.gz UWVXYLJYZHKHSD-CHWSQXEVSA-N 1 0 328.413 -1.024 20 0 EAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCOC[C@H]2CO)C1 ZINC001312010238 789154471 /nfs/dbraw/zinc/15/44/71/789154471.db2.gz UWVXYLJYZHKHSD-QWHCGFSZSA-N 1 0 328.413 -1.024 20 0 EAADRO CN1CC[NH+](CCCCNC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC001312010906 789154247 /nfs/dbraw/zinc/15/42/47/789154247.db2.gz WMQJASKHFOIDNQ-CYBMUJFWSA-N 1 0 327.429 -1.090 20 0 EAADRO CN1CC[NH+](CCCCNC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC001312010907 789154789 /nfs/dbraw/zinc/15/47/89/789154789.db2.gz WMQJASKHFOIDNQ-ZDUSSCGKSA-N 1 0 327.429 -1.090 20 0 EAADRO CN1C(=O)N=NC1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001312011586 789154191 /nfs/dbraw/zinc/15/41/91/789154191.db2.gz YFHRUMKDNNREHX-JTQLQIEISA-N 1 0 339.400 -1.093 20 0 EAADRO CN1C(=O)N=NC1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001312011587 789154720 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NC(=O)C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC001313011259 789155256 /nfs/dbraw/zinc/15/52/56/789155256.db2.gz UAYHTNLRRCFPOI-RYUDHWBXSA-N 1 0 341.412 -1.388 20 0 EAADRO O=C(NCCNc1cc[nH+]cc1)NCc1nnc2n1CCNC2=O ZINC001313216027 789155195 /nfs/dbraw/zinc/15/51/95/789155195.db2.gz LNCPNQPZXNAAKE-UHFFFAOYSA-N 1 0 330.352 -1.250 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001313441568 789156706 /nfs/dbraw/zinc/15/67/06/789156706.db2.gz PUSYBOICTQWOFI-KBPBESRZSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C([C@H]1CCNC1=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001313441569 789157121 /nfs/dbraw/zinc/15/71/21/789157121.db2.gz PUSYBOICTQWOFI-KGLIPLIRSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001313441570 789156800 /nfs/dbraw/zinc/15/68/00/789156800.db2.gz PUSYBOICTQWOFI-UONOGXRCSA-N 1 0 347.419 -1.086 20 0 EAADRO O=C([C@@H]1CCNC1=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001313441571 789157148 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